smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cc(OC)c1OC ZINC000262766975 939070283 /nfs/dbraw/zinc/07/02/83/939070283.db2.gz KYUOAABWDWYJOP-CJNGLKHVSA-N -1 0 363.410 2.042 20 30 FEEDRM N#Cc1ccc(CCNC(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC000594690399 939802090 /nfs/dbraw/zinc/80/20/90/939802090.db2.gz IATDKPFIBIDQAP-GOSISDBHSA-N -1 0 365.389 2.161 20 30 FEEDRM N#Cc1ccccc1OCc1ccc(C(=O)/N=c2\[n-]nc3ccccn32)o1 ZINC000052620423 540478564 /nfs/dbraw/zinc/47/85/64/540478564.db2.gz AYGBGFZTSQWNBU-UHFFFAOYSA-N -1 0 359.345 3.025 20 30 FEEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC(OC)CC3)cc2[n-]c1=S ZINC000053885729 540558339 /nfs/dbraw/zinc/55/83/39/540558339.db2.gz PYNXSASJOUFVGM-UHFFFAOYSA-N -1 0 359.451 2.122 20 30 FEEDRM C=CCN(C)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000157447164 545741543 /nfs/dbraw/zinc/74/15/43/545741543.db2.gz NFJVYRRAGHFYSD-UHFFFAOYSA-N -1 0 351.350 2.177 20 30 FEEDRM CC(C)(C)n1cc(C#N)c(=NC(=O)C(=O)NCCCc2cccs2)[n-]1 ZINC000540313705 541045178 /nfs/dbraw/zinc/04/51/78/541045178.db2.gz MSDYTBADKPCJCH-UHFFFAOYSA-N -1 0 359.455 2.259 20 30 FEEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000064666311 541214836 /nfs/dbraw/zinc/21/48/36/541214836.db2.gz OPIFWUDXSWBTNN-LBPRGKRZSA-N -1 0 371.459 2.221 20 30 FEEDRM CSc1[n-]c(=O)c(C(=O)NC[C@H](O)c2cc(C)cc(C)c2)cc1C#N ZINC000801527342 674133841 /nfs/dbraw/zinc/13/38/41/674133841.db2.gz KEBOFWCWRXMMOH-HNNXBMFYSA-N -1 0 357.435 2.461 20 30 FEEDRM COC[C@@H](O)C/N=C\c1cc(Br)cc(Br)c1[O-] ZINC000801646302 674141472 /nfs/dbraw/zinc/14/14/72/674141472.db2.gz OFISEZNYIPQFRH-JKIUMEFJSA-N -1 0 367.037 2.343 20 30 FEEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079736906 542540135 /nfs/dbraw/zinc/54/01/35/542540135.db2.gz WCMNSFNZCUKYET-CQSZACIVSA-N -1 0 362.451 2.222 20 30 FEEDRM N#CCCCS(=O)(=O)[N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000802127396 674161720 /nfs/dbraw/zinc/16/17/20/674161720.db2.gz ZJDHYDBVWRNCNE-LLVKDONJSA-N -1 0 352.309 2.466 20 30 FEEDRM C=CCC[C@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1ccccc1 ZINC000123098402 543741858 /nfs/dbraw/zinc/74/18/58/543741858.db2.gz IDASVPGQUFAOKC-HNNXBMFYSA-N -1 0 350.378 2.049 20 30 FEEDRM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccco1 ZINC000124005026 543796357 /nfs/dbraw/zinc/79/63/57/543796357.db2.gz WASKOBJYJVPYOI-ZDUSSCGKSA-N -1 0 355.366 2.011 20 30 FEEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)c(F)c1 ZINC000124209730 543807492 /nfs/dbraw/zinc/80/74/92/543807492.db2.gz FWFVQZYWFGMIQQ-GFCCVEGCSA-N -1 0 350.346 2.118 20 30 FEEDRM CCOC(=O)C1CCC([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000124841101 543845758 /nfs/dbraw/zinc/84/57/58/543845758.db2.gz IBMRLMFJSIULCA-UHFFFAOYSA-N -1 0 372.393 2.237 20 30 FEEDRM Cc1nc(C)c(CC[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000125270470 543871667 /nfs/dbraw/zinc/87/16/67/543871667.db2.gz KPFXQLZELOHPDH-UHFFFAOYSA-N -1 0 357.407 2.431 20 30 FEEDRM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000129955348 544133410 /nfs/dbraw/zinc/13/34/10/544133410.db2.gz SLNMXUHXHLFWPZ-UHFFFAOYSA-N -1 0 355.322 2.060 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)c(F)c1 ZINC000151044350 544499088 /nfs/dbraw/zinc/49/90/88/544499088.db2.gz ARVRUUFTQDGZFV-UHFFFAOYSA-N -1 0 360.414 2.171 20 30 FEEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCO[C@@H](C)[C@@H]3C)cc2[n-]c1=S ZINC000150903536 544485526 /nfs/dbraw/zinc/48/55/26/544485526.db2.gz CKRNPZZXWQLAEW-RYUDHWBXSA-N -1 0 359.451 2.121 20 30 FEEDRM Cc1oc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N(C)C ZINC000154515108 544915381 /nfs/dbraw/zinc/91/53/81/544915381.db2.gz JOLCCMWWOHYCDL-NSHDSACASA-N -1 0 372.406 2.205 20 30 FEEDRM COCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)nc3)c2C1 ZINC000155005570 544976053 /nfs/dbraw/zinc/97/60/53/544976053.db2.gz FBNMBIDJEFLEKT-UHFFFAOYSA-N -1 0 372.450 2.106 20 30 FEEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2nncn2C)c1 ZINC000184800938 327883743 /nfs/dbraw/zinc/88/37/43/327883743.db2.gz DKKLCRACQMXMMF-UHFFFAOYSA-N -1 0 369.406 2.163 20 30 FEEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccn(Cc2ccncc2)n1 ZINC000184835791 327885273 /nfs/dbraw/zinc/88/52/73/327885273.db2.gz VCGDMMWTOYZZSU-UHFFFAOYSA-N -1 0 369.406 2.007 20 30 FEEDRM N#Cc1cccnc1N1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000186987905 327995590 /nfs/dbraw/zinc/99/55/90/327995590.db2.gz ARGBAIRNZZXBDZ-UHFFFAOYSA-N -1 0 360.776 2.414 20 30 FEEDRM CSc1[n-]c(=O)c(C(=O)NCCn2c(C)nc3ccccc32)cc1C#N ZINC000027609035 324433557 /nfs/dbraw/zinc/43/35/57/324433557.db2.gz VJUCVCZNAJAARX-UHFFFAOYSA-N -1 0 367.434 2.469 20 30 FEEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1C#N ZINC000114630727 325907992 /nfs/dbraw/zinc/90/79/92/325907992.db2.gz YGEUQYHVRMICBJ-SNVBAGLBSA-N -1 0 360.464 2.445 20 30 FEEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c(F)c1 ZINC000121476766 326341485 /nfs/dbraw/zinc/34/14/85/326341485.db2.gz YLYVWKZCCGFECF-OAHLLOKOSA-N -1 0 352.362 2.238 20 30 FEEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2C)c1C#N ZINC000137504405 326660801 /nfs/dbraw/zinc/66/08/01/326660801.db2.gz ZDYMQAVTLSRYMK-UHFFFAOYSA-N -1 0 364.448 2.379 20 30 FEEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cc1C#N ZINC000152877304 326718477 /nfs/dbraw/zinc/71/84/77/326718477.db2.gz XRIDLINLDORGDW-HZMBPMFUSA-N -1 0 355.419 2.263 20 30 FEEDRM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000177344122 327515482 /nfs/dbraw/zinc/51/54/82/327515482.db2.gz AYZDMDJGPIPIGJ-UHFFFAOYSA-N -1 0 366.349 2.389 20 30 FEEDRM CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c(C(N)=O)c1 ZINC000440836415 330276001 /nfs/dbraw/zinc/27/60/01/330276001.db2.gz WMTRFTDBFMLTAR-UHFFFAOYSA-N -1 0 359.407 2.165 20 30 FEEDRM C=CCS(=O)(=O)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805276735 674328668 /nfs/dbraw/zinc/32/86/68/674328668.db2.gz ZRYJSZCQMOEMNC-UHFFFAOYSA-N -1 0 367.254 2.099 20 30 FEEDRM C=C(C)[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1COC)OCC ZINC000806090030 674366642 /nfs/dbraw/zinc/36/66/42/674366642.db2.gz DTDBGAMPBYXOBX-MRXNPFEDSA-N -1 0 355.456 2.150 20 30 FEEDRM N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(CCC(=O)[O-])cc1)CC2 ZINC000555706266 674372917 /nfs/dbraw/zinc/37/29/17/674372917.db2.gz OXHYXMIVMBXZRW-UHFFFAOYSA-N -1 0 356.403 2.327 20 30 FEEDRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1CCc2ccc(C#N)cc21 ZINC000555705717 674372957 /nfs/dbraw/zinc/37/29/57/674372957.db2.gz MODIYWMLXGAPEA-UHFFFAOYSA-N -1 0 358.375 2.022 20 30 FEEDRM CS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158102879 545823887 /nfs/dbraw/zinc/82/38/87/545823887.db2.gz NZAASEJQHHEFPN-UHFFFAOYSA-N -1 0 368.411 2.043 20 30 FEEDRM CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2)C1=O ZINC000478119216 561160333 /nfs/dbraw/zinc/16/03/33/561160333.db2.gz DXENKJABCGXUQY-HNNXBMFYSA-N -1 0 364.361 2.351 20 30 FEEDRM N#C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000164651946 546151279 /nfs/dbraw/zinc/15/12/79/546151279.db2.gz UATRVLARUNGJCW-MRXNPFEDSA-N -1 0 366.377 2.151 20 30 FEEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)NCCCCC#N)c2)no1 ZINC000170902640 546181709 /nfs/dbraw/zinc/18/17/09/546181709.db2.gz XIOZHKROBAOVET-UHFFFAOYSA-N -1 0 362.411 2.208 20 30 FEEDRM C=CCOc1ccc(C=CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)cc1OC ZINC000183417238 547654291 /nfs/dbraw/zinc/65/42/91/547654291.db2.gz HGXVFEUQVZLDGX-BUUCAEBMSA-N -1 0 357.414 2.048 20 30 FEEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC(C)(CO)CC3)cc2[n-]c1=S ZINC000183726462 547709174 /nfs/dbraw/zinc/70/91/74/547709174.db2.gz FQZWWBJTWAZRFG-UHFFFAOYSA-N -1 0 373.478 2.106 20 30 FEEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2ncon2)cc1 ZINC000184841084 547886119 /nfs/dbraw/zinc/88/61/19/547886119.db2.gz LOYRDWUDTAJGHP-UHFFFAOYSA-N -1 0 356.363 2.418 20 30 FEEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2cc(F)ccc2n1C ZINC000185622426 548011419 /nfs/dbraw/zinc/01/14/19/548011419.db2.gz ZKDNKRRKJBVMQR-UHFFFAOYSA-N -1 0 360.370 2.393 20 30 FEEDRM CC(C)(C)C(=O)Cn1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1 ZINC000190946357 548338227 /nfs/dbraw/zinc/33/82/27/548338227.db2.gz LHWABIPGWAODTE-GFCCVEGCSA-N -1 0 362.393 2.327 20 30 FEEDRM CC(C)(C)n1cc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)nn1 ZINC000191243884 548342421 /nfs/dbraw/zinc/34/24/21/548342421.db2.gz DGXXWHXGTWCYIL-FNORWQNLSA-N -1 0 370.453 2.467 20 30 FEEDRM C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000192127699 548358658 /nfs/dbraw/zinc/35/86/58/548358658.db2.gz MMHLLONLBJWHHR-JTQLQIEISA-N -1 0 356.450 2.235 20 30 FEEDRM C=CCSc1ccccc1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000487041015 561361972 /nfs/dbraw/zinc/36/19/72/561361972.db2.gz FXEQFSPNQKAAPH-UHFFFAOYSA-N -1 0 370.481 2.440 20 30 FEEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1C#N ZINC000490003577 561424283 /nfs/dbraw/zinc/42/42/83/561424283.db2.gz UWYSPZVDEWQIOJ-SNVBAGLBSA-N -1 0 363.439 2.185 20 30 FEEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262566747 549829037 /nfs/dbraw/zinc/82/90/37/549829037.db2.gz YAQIDVBWPFKUOE-VIFPVBQESA-N -1 0 362.329 2.062 20 30 FEEDRM C=CCC[C@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)C(=O)[O-] ZINC000262881958 549858853 /nfs/dbraw/zinc/85/88/53/549858853.db2.gz KRXAUQAFKKLZAN-NEPJUHHUSA-N -1 0 354.200 2.461 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1F ZINC000263035798 549872891 /nfs/dbraw/zinc/87/28/91/549872891.db2.gz CYBJCXBDWXBMAI-ONERCXAPSA-N -1 0 352.387 2.104 20 30 FEEDRM C=CCOC[C@@H](NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)[O-] ZINC000263098136 549877526 /nfs/dbraw/zinc/87/75/26/549877526.db2.gz TYTCQGOSLBOGKU-OAHLLOKOSA-N -1 0 363.410 2.402 20 30 FEEDRM Cc1nc(Cn2nnc(C([O-])=C(C#N)c3nccc4ccccc43)c2C)no1 ZINC000490970199 561441144 /nfs/dbraw/zinc/44/11/44/561441144.db2.gz NRHUKVKSUOZWAA-HNNXBMFYSA-N -1 0 373.376 2.365 20 30 FEEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)nn(CC)c1C ZINC000266101088 550017340 /nfs/dbraw/zinc/01/73/40/550017340.db2.gz SQCFHZYRUNWXAP-UHFFFAOYSA-N -1 0 362.455 2.236 20 30 FEEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCO[C@@H]4CCC[C@H]43)cc2[n-]c1=S ZINC000267459014 550031704 /nfs/dbraw/zinc/03/17/04/550031704.db2.gz VMVZVFRREOLPLG-HZPDHXFCSA-N -1 0 371.462 2.265 20 30 FEEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CN(C(C)C)CCO2)no1 ZINC000272643359 550462425 /nfs/dbraw/zinc/46/24/25/550462425.db2.gz LWJIHWIFHGHKHJ-MRXNPFEDSA-N -1 0 371.441 2.226 20 30 FEEDRM CCN(CCC#N)S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273628293 550505744 /nfs/dbraw/zinc/50/57/44/550505744.db2.gz BZDKRVQLVZOOCQ-UHFFFAOYSA-N -1 0 367.246 2.133 20 30 FEEDRM COc1ccc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C#N)cc1CC(=O)[O-] ZINC000277506321 550678436 /nfs/dbraw/zinc/67/84/36/550678436.db2.gz MWNDOVHMESJOJT-OAHLLOKOSA-N -1 0 366.439 2.025 20 30 FEEDRM Cc1ccc(C#N)cc1S(=O)(=O)N1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000278805979 550823977 /nfs/dbraw/zinc/82/39/77/550823977.db2.gz WOISJSDLOFSJBQ-OAHLLOKOSA-N -1 0 362.432 2.301 20 30 FEEDRM Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)CC2)o1 ZINC000281679023 551129821 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368.308 2.019 20 30 FEEDRM CSc1[n-]c(=O)c(C(=O)N2CCN(c3cnccc3C)CC2)cc1C#N ZINC000500676955 561579186 /nfs/dbraw/zinc/57/91/86/561579186.db2.gz IFJMJLQCPHXUDE-UHFFFAOYSA-N -1 0 369.450 2.047 20 30 FEEDRM N#Cc1cc(F)ccc1S(=O)(=O)NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000290305027 552457324 /nfs/dbraw/zinc/45/73/24/552457324.db2.gz XTKHHALNNDOBHK-WMZOPIPTSA-N -1 0 360.410 2.142 20 30 FEEDRM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)c1 ZINC000290469706 552483871 /nfs/dbraw/zinc/48/38/71/552483871.db2.gz GMRPLDYYQZBMEE-UHFFFAOYSA-N -1 0 354.819 2.397 20 30 FEEDRM N#CCCCS(=O)(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000290645280 552512445 /nfs/dbraw/zinc/51/24/45/552512445.db2.gz MLFLHUYPBBYEPL-UONOGXRCSA-N -1 0 356.831 2.074 20 30 FEEDRM N#Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[N-]C(=O)C(F)(F)F)CC2)o1 ZINC000295038458 552953101 /nfs/dbraw/zinc/95/31/01/552953101.db2.gz ONLKDGUURSEDIP-CABCVRRESA-N -1 0 371.359 2.199 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CCOCC3)s2)cc1 ZINC000295272080 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372.377 2.062 20 30 FEEDRM C=CCc1cc(CNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc(OC)c1OC ZINC000823522097 603535750 /nfs/dbraw/zinc/53/57/50/603535750.db2.gz RLJQUUVPLHCVRH-LSDHHAIUSA-N -1 0 362.426 2.485 20 30 FEEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(C2SCCS2)cc1 ZINC000831086686 603598283 /nfs/dbraw/zinc/59/82/83/603598283.db2.gz GLZNGOOVXDVPNJ-CYBMUJFWSA-N -1 0 363.464 2.493 20 30 FEEDRM N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1c(Cl)cccc1Cl ZINC000831092347 603725991 /nfs/dbraw/zinc/72/59/91/603725991.db2.gz UOAPQFXUHREVQB-VIFPVBQESA-N -1 0 357.197 2.120 20 30 FEEDRM C[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1CNC(=O)[O-] ZINC000825932765 603727279 /nfs/dbraw/zinc/72/72/79/603727279.db2.gz XJPLCNBISFFUMI-SWLSCSKDSA-N -1 0 355.398 2.476 20 30 FEEDRM C[C@H](OC(=O)C1(CNC(=O)[O-])CCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000825546117 603757783 /nfs/dbraw/zinc/75/77/83/603757783.db2.gz WQFYHBUOOAXSKV-ZDUSSCGKSA-N -1 0 365.430 2.089 20 30 FEEDRM C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H]1CNC(=O)[O-] 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358.375 2.107 20 30 FEEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(N3CCOC3=O)c2)C(=O)[O-])c1 ZINC000833076035 601349718 /nfs/dbraw/zinc/34/97/18/601349718.db2.gz GYLVEQVIWHVLNH-INIZCTEOSA-N -1 0 366.329 2.498 20 30 FEEDRM CCCC(=O)N1CCC[C@@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829177201 601349932 /nfs/dbraw/zinc/34/99/32/601349932.db2.gz LODNQRCJJMTUJV-WBVHZDCISA-N -1 0 358.394 2.266 20 30 FEEDRM Cc1[nH]nc2nc(C)cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c12 ZINC000832869070 601352268 /nfs/dbraw/zinc/35/22/68/601352268.db2.gz XHJYFGWGLMCCRC-HNNXBMFYSA-N -1 0 350.334 2.429 20 30 FEEDRM N#Cc1ccc(N2CCN(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)c(F)c1 ZINC000833073497 601419780 /nfs/dbraw/zinc/41/97/80/601419780.db2.gz PYFBYOOEVKKPRJ-UHFFFAOYSA-N -1 0 374.416 2.174 20 30 FEEDRM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC000828714865 601429171 /nfs/dbraw/zinc/42/91/71/601429171.db2.gz BSQLBOLDVSAJMW-RUENVJTFSA-N -1 0 357.454 2.374 20 30 FEEDRM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N(CC#N)CC(=O)[O-] ZINC000833036182 601563160 /nfs/dbraw/zinc/56/31/60/601563160.db2.gz CTBBYRYHOPFBCL-UHFFFAOYSA-N -1 0 358.828 2.462 20 30 FEEDRM COc1ccccc1N1CC[C@H](N[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1=O ZINC000832623643 601647283 /nfs/dbraw/zinc/64/72/83/601647283.db2.gz RJZQZTXGCUYRIT-MAUKXSAKSA-N -1 0 365.389 2.088 20 30 FEEDRM Cc1oc(-c2cnn(C)c2)nc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833024964 601683776 /nfs/dbraw/zinc/68/37/76/601683776.db2.gz ZLSVPKACTFMAQY-OAHLLOKOSA-N -1 0 366.333 2.238 20 30 FEEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000833015564 601749254 /nfs/dbraw/zinc/74/92/54/601749254.db2.gz ICUKMEUMSMVVLJ-SFHVURJKSA-N -1 0 360.458 2.496 20 30 FEEDRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000739283723 602122921 /nfs/dbraw/zinc/12/29/21/602122921.db2.gz HBAQVGWMJRLPLQ-SFHVURJKSA-N -1 0 362.405 2.172 20 30 FEEDRM C=CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000707071138 602155484 /nfs/dbraw/zinc/15/54/84/602155484.db2.gz QWZSQLFBUGSHEH-UHFFFAOYSA-N -1 0 364.217 2.327 20 30 FEEDRM CC(C)(C(=O)[O-])[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000826106339 602217526 /nfs/dbraw/zinc/21/75/26/602217526.db2.gz YLMIUEZIEMKOPL-HNNXBMFYSA-N -1 0 359.407 2.084 20 30 FEEDRM C[C@@H](CC(=O)[O-])C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000827333573 602271449 /nfs/dbraw/zinc/27/14/49/602271449.db2.gz OOWUGARJAHERBU-NSHDSACASA-N -1 0 352.774 2.241 20 30 FEEDRM C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000827324970 602281549 /nfs/dbraw/zinc/28/15/49/602281549.db2.gz NITJZLHUSRSKIU-NWDGAFQWSA-N -1 0 350.346 2.115 20 30 FEEDRM CN(CCNC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000739699192 602294972 /nfs/dbraw/zinc/29/49/72/602294972.db2.gz VMJCCDOZXZMARC-UHFFFAOYSA-N -1 0 353.378 2.477 20 30 FEEDRM CC[C@H](C)[C@@H](NC(=O)COc1ccc(Br)cc1C#N)C(=O)[O-] ZINC000828729679 602314336 /nfs/dbraw/zinc/31/43/36/602314336.db2.gz RTOOZIDMBFJDEE-LKFCYVNXSA-N -1 0 369.215 2.315 20 30 FEEDRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000833249100 602362677 /nfs/dbraw/zinc/36/26/77/602362677.db2.gz BITKOVAEOMEPTA-UHFFFAOYSA-N -1 0 373.311 2.158 20 30 FEEDRM N#Cc1c(F)cccc1N1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)CC1 ZINC000740310314 602391265 /nfs/dbraw/zinc/39/12/65/602391265.db2.gz DSEJBKZLZWMFKB-UHFFFAOYSA-N -1 0 374.416 2.172 20 30 FEEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000740028286 602418362 /nfs/dbraw/zinc/41/83/62/602418362.db2.gz MCSBKFIJXGJNLO-UHFFFAOYSA-N -1 0 357.370 2.091 20 30 FEEDRM C[C@@H](CNC(=O)[O-])N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000738935698 602446926 /nfs/dbraw/zinc/44/69/26/602446926.db2.gz VIXXJZHUDTXJEQ-LBPRGKRZSA-N -1 0 357.366 2.458 20 30 FEEDRM N#Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)c1 ZINC000740324215 602490951 /nfs/dbraw/zinc/49/09/51/602490951.db2.gz YLDFEAWLUGEUEC-UHFFFAOYSA-N -1 0 357.391 2.395 20 30 FEEDRM CN(C(=O)[O-])C1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000737938683 602531333 /nfs/dbraw/zinc/53/13/33/602531333.db2.gz GEWNHVWAVOZQOT-UHFFFAOYSA-N -1 0 350.806 2.224 20 30 FEEDRM C=CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000738491370 602642583 /nfs/dbraw/zinc/64/25/83/602642583.db2.gz DWSLFSRLFGJTOV-UHFFFAOYSA-N -1 0 357.410 2.480 20 30 FEEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000740274724 602753050 /nfs/dbraw/zinc/75/30/50/602753050.db2.gz ROJRQDCXOHFCGZ-VXGBXAGGSA-N -1 0 356.382 2.463 20 30 FEEDRM C[C@@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000739040821 602888519 /nfs/dbraw/zinc/88/85/19/602888519.db2.gz AMKGGKPJBJIZPY-KOLCDFICSA-N -1 0 365.773 2.082 20 30 FEEDRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1Cl)C(=O)N(C)CCC#N ZINC000739042198 602906757 /nfs/dbraw/zinc/90/67/57/602906757.db2.gz HZYAHFKWWVKDAK-SECBINFHSA-N -1 0 353.762 2.347 20 30 FEEDRM N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740304715 602959481 /nfs/dbraw/zinc/95/94/81/602959481.db2.gz XOANAPRXLCMRLR-PSASIEDQSA-N -1 0 353.737 2.126 20 30 FEEDRM CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)NC(=O)[O-])cc1 ZINC000828063587 603023796 /nfs/dbraw/zinc/02/37/96/603023796.db2.gz HIPMBPYHYVPTLP-QGZVFWFLSA-N -1 0 352.394 2.363 20 30 FEEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCCN2C(=O)[O-])c1 ZINC000739208976 603037767 /nfs/dbraw/zinc/03/77/67/603037767.db2.gz NWHYQVZCKYSCQU-LSDHHAIUSA-N -1 0 360.414 2.309 20 30 FEEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000737774038 603038447 /nfs/dbraw/zinc/03/84/47/603038447.db2.gz PBUHOVNSBQFXDR-CABCVRRESA-N -1 0 360.414 2.309 20 30 FEEDRM Cc1cc(CNC(=O)[O-])ccc1N(C1CC1)S(=O)(=O)CCCC#N ZINC000740076926 603067991 /nfs/dbraw/zinc/06/79/91/603067991.db2.gz NWJGYBFFRSQSBA-UHFFFAOYSA-N -1 0 351.428 2.365 20 30 FEEDRM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000740316499 603129775 /nfs/dbraw/zinc/12/97/75/603129775.db2.gz YXGYJOJVRMJVAX-VXGBXAGGSA-N -1 0 365.773 2.130 20 30 FEEDRM COCCN(CC(=O)[C@H](C#N)C(=O)Nc1cccc2ccccc21)C(=O)[O-] ZINC000739812717 603170309 /nfs/dbraw/zinc/17/03/09/603170309.db2.gz KAMULWZHDDGNRP-HNNXBMFYSA-N -1 0 369.377 2.114 20 30 FEEDRM C#CCOc1cccc(NC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)c1 ZINC000738467461 603176583 /nfs/dbraw/zinc/17/65/83/603176583.db2.gz LZYZFPICVRHJEK-UHFFFAOYSA-N -1 0 350.374 2.442 20 30 FEEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000823511589 603288470 /nfs/dbraw/zinc/28/84/70/603288470.db2.gz ZDERUVCTXLGJNV-DZGCQCFKSA-N -1 0 360.414 2.160 20 30 FEEDRM C[C@@H](C(=O)NCCNc1ccc(C#N)cn1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823694052 603309408 /nfs/dbraw/zinc/30/94/08/603309408.db2.gz OIMBCMPJCYTIAW-CXAGYDPISA-N -1 0 367.409 2.126 20 30 FEEDRM C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000738471698 603325972 /nfs/dbraw/zinc/32/59/72/603325972.db2.gz XJQVAAKENRVVIR-UHFFFAOYSA-N -1 0 366.377 2.196 20 30 FEEDRM CN(CC(C)(C)CNC(=O)[O-])S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000828153801 603452260 /nfs/dbraw/zinc/45/22/60/603452260.db2.gz BMIOJNSBQVOFDR-UHFFFAOYSA-N -1 0 359.835 2.126 20 30 FEEDRM C=C(Br)CNC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823475206 603478390 /nfs/dbraw/zinc/47/83/90/603478390.db2.gz VZKXTOWEHYNRES-UHFFFAOYSA-N -1 0 360.252 2.459 20 30 FEEDRM C[C@H](NC(=O)[O-])C1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000825287448 603568153 /nfs/dbraw/zinc/56/81/53/603568153.db2.gz JUEAEBALZUCZLW-SMDDNHRTSA-N -1 0 362.455 2.093 20 30 FEEDRM CN(C[C@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1)C(=O)[O-] ZINC000828179799 603569751 /nfs/dbraw/zinc/56/97/51/603569751.db2.gz DATSCWIVOVYAAI-OCCSQVGLSA-N -1 0 362.455 2.047 20 30 FEEDRM CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)o2)cc1 ZINC000823628877 603591335 /nfs/dbraw/zinc/59/13/35/603591335.db2.gz XZTCEAGJVWCCIB-HNNXBMFYSA-N -1 0 367.361 2.477 20 30 FEEDRM C=CCn1c(-c2ccncc2)nn(CN(C)[C@@H]2CCN(C(=O)[O-])C2)c1=S ZINC000823521430 603592589 /nfs/dbraw/zinc/59/25/89/603592589.db2.gz CCZRSJRKVZOFPG-CQSZACIVSA-N -1 0 374.470 2.304 20 30 FEEDRM CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCN(C(=O)[O-])C1 ZINC000827806482 603594679 /nfs/dbraw/zinc/59/46/79/603594679.db2.gz LKDBVGBTLDVVRH-JTQLQIEISA-N -1 0 354.313 2.376 20 30 FEEDRM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(NC(=O)[O-])c2)[C@H](C#N)C1 ZINC000823803352 603598976 /nfs/dbraw/zinc/59/89/76/603598976.db2.gz GHEDBRMQHMAEEO-CQSZACIVSA-N -1 0 374.397 2.362 20 30 FEEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000831087660 603600758 /nfs/dbraw/zinc/60/07/58/603600758.db2.gz PNTRUBYEYDYGGW-ZDUSSCGKSA-N -1 0 373.340 2.326 20 30 FEEDRM N#Cc1ccccc1N1CCCN(C(=O)C2(CNC(=O)[O-])CCCC2)CC1 ZINC000831152289 603632798 /nfs/dbraw/zinc/63/27/98/603632798.db2.gz BHWWOSGEPDQNSL-UHFFFAOYSA-N -1 0 370.453 2.425 20 30 FEEDRM O=C([O-])N1CSC[C@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000831610689 603767941 /nfs/dbraw/zinc/76/79/41/603767941.db2.gz PZXORVHBQHRDOA-LBPRGKRZSA-N -1 0 358.341 2.226 20 30 FEEDRM N#Cc1ccc(-c2nnc(COC(=O)[C@H]3CCC[C@H]3NC(=O)[O-])o2)cc1 ZINC000831122873 603843171 /nfs/dbraw/zinc/84/31/71/603843171.db2.gz UUQBBQWNCKEMNH-QWHCGFSZSA-N -1 0 356.338 2.088 20 30 FEEDRM CN(C(=O)COC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000827774863 603874704 /nfs/dbraw/zinc/87/47/04/603874704.db2.gz NOHUSSZPVURECV-ZIAGYGMSSA-N -1 0 365.430 2.041 20 30 FEEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000823516885 603940131 /nfs/dbraw/zinc/94/01/31/603940131.db2.gz XRALXBPTBGGTBC-HNNXBMFYSA-N -1 0 370.409 2.309 20 30 FEEDRM Cc1sc(NC(=O)CN2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)c(C#N)c1C ZINC000830956237 603964225 /nfs/dbraw/zinc/96/42/25/603964225.db2.gz FVFRGNFGEXCUNN-AOOOYVTPSA-N -1 0 350.444 2.248 20 30 FEEDRM N#C[C@H](NC(=O)[C@@]1(F)CCN(C(=O)[O-])C1)c1cccc(Br)c1 ZINC000831069961 603991544 /nfs/dbraw/zinc/99/15/44/603991544.db2.gz BCZLMWJXWWWGTL-SMDDNHRTSA-N -1 0 370.178 2.222 20 30 FEEDRM Cc1c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cnn1-c1ccc(Cl)cc1 ZINC000829849649 604068933 /nfs/dbraw/zinc/06/89/33/604068933.db2.gz HUOUOFUJEWEDMQ-AWEZNQCLSA-N -1 0 373.800 2.162 20 30 FEEDRM Cc1ccc(-c2nc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)cs2)cc1 ZINC000830155401 604069029 /nfs/dbraw/zinc/06/90/29/604069029.db2.gz OAODGVHSPVGOQH-CYBMUJFWSA-N -1 0 356.407 2.447 20 30 FEEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000831088138 604069768 /nfs/dbraw/zinc/06/97/68/604069768.db2.gz YIDORPMNZUWQJT-CQSZACIVSA-N -1 0 352.350 2.202 20 30 FEEDRM N#Cc1ccccc1/C=C/C(=O)N1CCC(OCCCNC(=O)[O-])CC1 ZINC000831152272 604071623 /nfs/dbraw/zinc/07/16/23/604071623.db2.gz AZQXWZFWGINWFN-VOTSOKGWSA-N -1 0 357.410 2.237 20 30 FEEDRM CC(C)c1nn(C)c2sc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)cc12 ZINC000824502398 604077867 /nfs/dbraw/zinc/07/78/67/604077867.db2.gz CLCWACXNMOMGJD-SNVBAGLBSA-N -1 0 361.427 2.086 20 30 FEEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCc1cc(Br)cs1 ZINC000831082747 604080156 /nfs/dbraw/zinc/08/01/56/604080156.db2.gz PYEKWTYKZHLHBZ-JTQLQIEISA-N -1 0 372.244 2.158 20 30 FEEDRM 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ZINC000831070969 604870071 /nfs/dbraw/zinc/87/00/71/604870071.db2.gz WAZCRJXQUOGMLP-OLZOCXBDSA-N -1 0 371.315 2.155 20 30 FEEDRM CN(Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2ccsc2C(=O)[O-])C1=O ZINC000833695864 605001190 /nfs/dbraw/zinc/00/11/90/605001190.db2.gz ARWCBKNJNPQGBS-CQSZACIVSA-N -1 0 369.402 2.082 20 30 FEEDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=S)NCCc1cccs1 ZINC000833405796 605038874 /nfs/dbraw/zinc/03/88/74/605038874.db2.gz IWRAVDUVRLDJPR-NSHDSACASA-N -1 0 350.469 2.236 20 30 FEEDRM C=CC[C@H](CO)CNc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC000833369572 605046846 /nfs/dbraw/zinc/04/68/46/605046846.db2.gz AHKMWHGNFVUOSS-NSHDSACASA-N -1 0 363.801 2.181 20 30 FEEDRM C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccccc2CC(=O)[O-])C1=O ZINC000833573204 605058074 /nfs/dbraw/zinc/05/80/74/605058074.db2.gz FTWRMCDSWKXKBV-HXUWFJFHSA-N -1 0 363.373 2.153 20 30 FEEDRM C#CCOc1ccccc1CNC(=O)C(=O)Nc1scc(C(=O)[O-])c1C ZINC000833366572 605183433 /nfs/dbraw/zinc/18/34/33/605183433.db2.gz DPHOZZAYXPHBQB-UHFFFAOYSA-N -1 0 372.402 2.022 20 30 FEEDRM C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833364633 605199151 /nfs/dbraw/zinc/19/91/51/605199151.db2.gz RJCBFKMDVIJDTC-UHFFFAOYSA-N -1 0 365.357 2.487 20 30 FEEDRM C=CCCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC000567382490 605250329 /nfs/dbraw/zinc/25/03/29/605250329.db2.gz HENXOWPHCIOXDP-NSHDSACASA-N -1 0 357.428 2.425 20 30 FEEDRM CN(C(=O)COC(=O)CN(C(=O)[O-])c1ccccc1)C1(C#N)CCCCC1 ZINC000827773854 605314004 /nfs/dbraw/zinc/31/40/04/605314004.db2.gz BQKQKEOJJZPGEE-UHFFFAOYSA-N -1 0 373.409 2.399 20 30 FEEDRM CC[C@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[C@@H]1NC(=O)[O-] ZINC000833849869 605315005 /nfs/dbraw/zinc/31/50/05/605315005.db2.gz ULUBDZIXYSHLKD-HOCLYGCPSA-N -1 0 360.414 2.167 20 30 FEEDRM CC[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[C@H]1NC(=O)[O-] ZINC000833850016 605318038 /nfs/dbraw/zinc/31/80/38/605318038.db2.gz UUICJVAFYXXGSV-GOEBONIOSA-N -1 0 360.414 2.015 20 30 FEEDRM N#CCN(C(=O)COC(=O)CN(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000831097688 605318528 /nfs/dbraw/zinc/31/85/28/605318528.db2.gz QKAJGSWFQCTCNS-UHFFFAOYSA-N -1 0 367.361 2.271 20 30 FEEDRM N#Cc1ccc(N2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c(F)c1 ZINC000833972727 605404566 /nfs/dbraw/zinc/40/45/66/605404566.db2.gz CVCAMFBCBRQESS-PBHICJAKSA-N -1 0 374.416 2.172 20 30 FEEDRM C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2ccc(C#N)cc2Br)CCO1 ZINC000833819500 605425353 /nfs/dbraw/zinc/42/53/53/605425353.db2.gz NNJHFJGGODRWSB-QMTHXVAHSA-N -1 0 368.231 2.178 20 30 FEEDRM N#Cc1ccc(C2=CCN(C(=O)CN(C[C@H]3CCCO3)C(=O)[O-])CC2)cc1 ZINC000833972930 605452289 /nfs/dbraw/zinc/45/22/89/605452289.db2.gz IKOHBISJGMZVOP-GOSISDBHSA-N -1 0 369.421 2.333 20 30 FEEDRM N#CCCN(C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000833965176 605455696 /nfs/dbraw/zinc/45/56/96/605455696.db2.gz CGDLFTAADVQMJU-CQSZACIVSA-N -1 0 373.409 2.485 20 30 FEEDRM Cc1oc(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c(C#N)c1C ZINC000833934349 605457233 /nfs/dbraw/zinc/45/72/33/605457233.db2.gz HMSBPAJMMYOZKO-DLKVLKDVSA-N -1 0 374.441 2.463 20 30 FEEDRM C=C(C)CN(C)C(=O)C(=O)Nc1cc(F)c(Br)cc1C(=O)[O-] ZINC000833368269 605478878 /nfs/dbraw/zinc/47/88/78/605478878.db2.gz FQCRRAQDUDOUFO-UHFFFAOYSA-N -1 0 373.178 2.259 20 30 FEEDRM C#CCCCNC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000833362436 605505941 /nfs/dbraw/zinc/50/59/41/605505941.db2.gz RSHOCLFNEHIJHZ-INIZCTEOSA-N -1 0 363.845 2.206 20 30 FEEDRM N#Cc1ccc(OC2CCC(NC(=O)C3CCN(C(=O)[O-])CC3)CC2)nc1 ZINC000833977437 605510650 /nfs/dbraw/zinc/51/06/50/605510650.db2.gz NXUKDKSVMKSHDG-UHFFFAOYSA-N -1 0 372.425 2.149 20 30 FEEDRM N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000833977395 605540715 /nfs/dbraw/zinc/54/07/15/605540715.db2.gz YWBZTBOZPYQFJL-CQSZACIVSA-N -1 0 369.377 2.460 20 30 FEEDRM N#Cc1cccc(COC(=O)c2cnn([C@H]3CCCN(C(=O)[O-])C3)c2)c1 ZINC000833977983 605589237 /nfs/dbraw/zinc/58/92/37/605589237.db2.gz ACWKBUUBPYHRGN-INIZCTEOSA-N -1 0 354.366 2.427 20 30 FEEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000833433011 605595923 /nfs/dbraw/zinc/59/59/23/605595923.db2.gz TZNIPUCBCMSONA-GOSISDBHSA-N -1 0 362.382 2.350 20 30 FEEDRM Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H]1CN(C(=O)[O-])C[C@H]1C#N ZINC000833919880 605683420 /nfs/dbraw/zinc/68/34/20/605683420.db2.gz AIQPLBIGCWPAHX-SJLPKXTDSA-N -1 0 353.426 2.140 20 30 FEEDRM N#Cc1cccc(OCCCCc2nc([C@H]3COCCN3C(=O)[O-])no2)c1 ZINC000833976687 605717836 /nfs/dbraw/zinc/71/78/36/605717836.db2.gz QEHAPTZWIPUQQU-OAHLLOKOSA-N -1 0 372.381 2.394 20 30 FEEDRM N#CCC[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000833968444 605739430 /nfs/dbraw/zinc/73/94/30/605739430.db2.gz JXFVNEOTIIFDMZ-AWEZNQCLSA-N -1 0 367.365 2.271 20 30 FEEDRM N#CC1(COC(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)CCCCC1 ZINC000833963963 605779816 /nfs/dbraw/zinc/77/98/16/605779816.db2.gz ADSGHEOOBMKNIG-UHFFFAOYSA-N -1 0 361.402 2.224 20 30 FEEDRM N#Cc1ccc([C@@H](O)C(=O)N2CCN(C(=O)[O-])Cc3ccccc32)cc1 ZINC000833972865 605837984 /nfs/dbraw/zinc/83/79/84/605837984.db2.gz IBQJAQSZPNCVAF-QGZVFWFLSA-N -1 0 351.362 2.118 20 30 FEEDRM N#Cc1ccc([C@@H](O)C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)cc1 ZINC000833973384 605838296 /nfs/dbraw/zinc/83/82/96/605838296.db2.gz OGLJJGKKRGKTQL-QGZVFWFLSA-N -1 0 351.362 2.266 20 30 FEEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833970858 605847032 /nfs/dbraw/zinc/84/70/32/605847032.db2.gz VIHOHJCAXNZIIQ-ZDUSSCGKSA-N -1 0 369.830 2.117 20 30 FEEDRM N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000833976264 605868907 /nfs/dbraw/zinc/86/89/07/605868907.db2.gz KWRNSABACCKVEO-SFHVURJKSA-N -1 0 365.389 2.220 20 30 FEEDRM CCCN(C1CCN(C(=O)[O-])CC1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000826898241 605871889 /nfs/dbraw/zinc/87/18/89/605871889.db2.gz UPRALNCDWWWQNB-UHFFFAOYSA-N -1 0 365.455 2.410 20 30 FEEDRM C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000819720309 605914786 /nfs/dbraw/zinc/91/47/86/605914786.db2.gz URFHFHFVYKTLRY-UHFFFAOYSA-N -1 0 354.362 2.205 20 30 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353.419 2.087 20 30 FEEDRM N#Cc1cnc2ccccc2c1OCCOC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000740321781 602229846 /nfs/dbraw/zinc/22/98/46/602229846.db2.gz ILKBGFORLYBOPO-HNNXBMFYSA-N -1 0 355.350 2.171 20 30 FEEDRM N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[O-])Cc2ccccc21 ZINC000740321527 602248660 /nfs/dbraw/zinc/24/86/60/602248660.db2.gz CNYLRKANRLAUFD-UHFFFAOYSA-N -1 0 357.391 2.247 20 30 FEEDRM Cc1c(C(=O)Nc2ccccc2C#N)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740042443 602263788 /nfs/dbraw/zinc/26/37/88/602263788.db2.gz SQFPAXICTKHKLG-UHFFFAOYSA-N -1 0 354.370 2.025 20 30 FEEDRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000738998099 602267956 /nfs/dbraw/zinc/26/79/56/602267956.db2.gz DEYFVHLVBYEWPP-IINYFYTJSA-N -1 0 371.846 2.411 20 30 FEEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCNC(=O)[O-])cc1C ZINC000740094941 602342385 /nfs/dbraw/zinc/34/23/85/602342385.db2.gz ACUUFNIROCTFJU-UHFFFAOYSA-N -1 0 369.425 2.468 20 30 FEEDRM N#Cc1ccc([C@H](OC(=O)Cn2cc(-c3ccccc3)nn2)C(=O)[O-])cc1 ZINC000833071942 602343665 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360.435 2.048 20 30 FEEDRM C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593945848 673014494 /nfs/dbraw/zinc/01/44/94/673014494.db2.gz ZANKCUQHRFQBDG-DDTOSNHZSA-N -1 0 368.430 2.252 20 30 FEEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](CC(=O)OC(C)C)C(C)C)cc1C#N ZINC000594413294 673069438 /nfs/dbraw/zinc/06/94/38/673069438.db2.gz WVVNGZCPLYZSGQ-CYBMUJFWSA-N -1 0 365.455 2.477 20 30 FEEDRM N#Cc1sccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594490346 673092975 /nfs/dbraw/zinc/09/29/75/673092975.db2.gz SVWYYHXFYZVEPB-GZMMTYOYSA-N -1 0 354.375 2.398 20 30 FEEDRM C[C@H](CC1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1)C(=O)[O-] ZINC000594573420 673099818 /nfs/dbraw/zinc/09/98/18/673099818.db2.gz NXHLIXYSUQDHEP-GFCCVEGCSA-N -1 0 368.430 2.350 20 30 FEEDRM Cc1cc(S(=O)(=O)N2CCC(C[C@@H](C)C(=O)[O-])CC2)ccc1C#N ZINC000594573710 673099834 /nfs/dbraw/zinc/09/98/34/673099834.db2.gz QPWPNJUENTVPMA-CYBMUJFWSA-N -1 0 350.440 2.378 20 30 FEEDRM 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CC#CC[C@@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000542859583 673611304 /nfs/dbraw/zinc/61/13/04/673611304.db2.gz YFRIQCLKPSNNGX-GFCCVEGCSA-N -1 0 350.223 2.279 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c(F)c1 ZINC000739670369 673634210 /nfs/dbraw/zinc/63/42/10/673634210.db2.gz JNHLFPMWQJALBE-UHFFFAOYSA-N -1 0 361.398 2.335 20 30 FEEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000741657466 673693085 /nfs/dbraw/zinc/69/30/85/673693085.db2.gz RWKJSZSXLQWZHB-UHFFFAOYSA-N -1 0 363.366 2.425 20 30 FEEDRM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000741658510 673693473 /nfs/dbraw/zinc/69/34/73/673693473.db2.gz ZKFCCEVCTRKQNE-UHFFFAOYSA-N -1 0 361.350 2.309 20 30 FEEDRM CCO[C@@H](C)c1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000744007297 673778817 /nfs/dbraw/zinc/77/88/17/673778817.db2.gz DWRVKLKYCAUSIE-JTQLQIEISA-N -1 0 365.436 2.231 20 30 FEEDRM COc1ccccc1S(=O)(=O)[N-]C(=O)c1ccccc1SCC#N ZINC000744208315 673787019 /nfs/dbraw/zinc/78/70/19/673787019.db2.gz 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C#CCN1C(=O)C(=N[N-]c2ncccn2)c2cc(Br)ccc21 ZINC000747047326 673903003 /nfs/dbraw/zinc/90/30/03/673903003.db2.gz WHLSIWAJZXBQPU-UHFFFAOYSA-N -1 0 356.183 2.035 20 30 FEEDRM N#CCCCCS(=O)(=O)N(CC(=O)[O-])Cc1ccc(Cl)s1 ZINC000547923656 673905394 /nfs/dbraw/zinc/90/53/94/673905394.db2.gz UZPGVPIBTDARKQ-UHFFFAOYSA-N -1 0 350.849 2.312 20 30 FEEDRM C[C@@H](CC(=O)[O-])C1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000547923325 673905418 /nfs/dbraw/zinc/90/54/18/673905418.db2.gz QKXFSLVRJGZHQU-LBPRGKRZSA-N -1 0 368.430 2.350 20 30 FEEDRM CCC[C@@H](C)C[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)[O-] ZINC000547932327 673906202 /nfs/dbraw/zinc/90/62/02/673906202.db2.gz AGQJUHOJFVSNDS-ABAIWWIYSA-N -1 0 356.419 2.396 20 30 FEEDRM N#Cc1c(Cl)cccc1S(=O)(=O)NCCc1ccccc1C(=O)[O-] ZINC000547940349 673907660 /nfs/dbraw/zinc/90/76/60/673907660.db2.gz JJCUKCDBGAIDLF-UHFFFAOYSA-N -1 0 364.810 2.431 20 30 FEEDRM CCO[C@@H]1C[C@@](NS(=O)(=O)CC2(C#N)CCCCC2)(C(=O)[O-])C1(C)C ZINC000548030071 673916432 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C=CCOC[C@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000908763583 691725836 /nfs/dbraw/zinc/72/58/36/691725836.db2.gz MOHPVQSPRATBFB-LBPRGKRZSA-N -1 0 362.304 2.040 20 30 FEEDRM C=CCC[C@@H](NC(=O)NC[C@H](C)N1CCc2sccc2C1)C(=O)[O-] ZINC000908851497 691740566 /nfs/dbraw/zinc/74/05/66/691740566.db2.gz MTYFFTLFCXEXJU-GXTWGEPZSA-N -1 0 351.472 2.213 20 30 FEEDRM C#CCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908853594 691741494 /nfs/dbraw/zinc/74/14/94/691741494.db2.gz HJRZHTCJHNGHAJ-ZWNOBZJWSA-N -1 0 359.300 2.256 20 30 FEEDRM C=C(C)C[C@H](NC(=O)NCc1ccc(C)cc1OCCOC)C(=O)[O-] ZINC000909097537 691778053 /nfs/dbraw/zinc/77/80/53/691778053.db2.gz HXNIHHHTBKWYSI-HNNXBMFYSA-N -1 0 350.415 2.239 20 30 FEEDRM C#CC[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000910053167 691884275 /nfs/dbraw/zinc/88/42/75/691884275.db2.gz DQCTXZDQGGWWKA-AWEZNQCLSA-N -1 0 357.435 2.105 20 30 FEEDRM COc1ccc(-n2cc([O-])c(C(=O)Nc3cc(C)n(CCC#N)n3)n2)cc1 ZINC000500398681 796061308 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FEEDRM N#Cc1nc(NC(=O)COc2ccc(Cl)c3cccnc23)[n-]c1C#N ZINC000052557260 540472917 /nfs/dbraw/zinc/47/29/17/540472917.db2.gz PRCRRRKHFZWVLW-UHFFFAOYSA-N -1 0 352.741 2.372 20 30 FEEDRM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000052557395 540473128 /nfs/dbraw/zinc/47/31/28/540473128.db2.gz XNAJBRLSKGVXIB-SECBINFHSA-N -1 0 354.395 2.231 20 30 FEEDRM CC(C)n1cc(C#N)c(=NC(=O)C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)[n-]1 ZINC000539159262 540928895 /nfs/dbraw/zinc/92/88/95/540928895.db2.gz CBMZCVQIXBZTSJ-BXUZGUMPSA-N -1 0 373.363 2.225 20 30 FEEDRM C[C@H](CC#N)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000063087878 541155825 /nfs/dbraw/zinc/15/58/25/541155825.db2.gz KKNROSMRLLUWCB-MRVPVSSYSA-N -1 0 361.217 2.070 20 30 FEEDRM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC)c1 ZINC000064479134 541207554 /nfs/dbraw/zinc/20/75/54/541207554.db2.gz LQILFWBNYXWVCX-UHFFFAOYSA-N -1 0 360.391 2.463 20 30 FEEDRM CC(C)(C)n1cnc(=NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)[n-]1 ZINC000541415013 541204051 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FEEDRM C=C(C)COCC[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000093019603 542902388 /nfs/dbraw/zinc/90/23/88/542902388.db2.gz NLHVRSPFNGGDIO-UHFFFAOYSA-N -1 0 355.279 2.085 20 30 FEEDRM CC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000119744192 543671092 /nfs/dbraw/zinc/67/10/92/543671092.db2.gz CPCZXONAGQXBPY-HNNXBMFYSA-N -1 0 364.452 2.366 20 30 FEEDRM CCOC(=O)c1c[n-]n(C2CCN(CC#Cc3ccc(F)cc3)CC2)c1=N ZINC000121897343 543700990 /nfs/dbraw/zinc/70/09/90/543700990.db2.gz KDKYKGPIKRNULU-UHFFFAOYSA-N -1 0 370.428 2.300 20 30 FEEDRM N#Cc1ccc(OC2CN(C(=O)c3nn(-c4ccccc4)cc3[O-])C2)cc1 ZINC000130766852 544163740 /nfs/dbraw/zinc/16/37/40/544163740.db2.gz OVKPWDFLMLTCTA-UHFFFAOYSA-N -1 0 360.373 2.353 20 30 FEEDRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000187729374 328042336 /nfs/dbraw/zinc/04/23/36/328042336.db2.gz ARQVIOOZRPRFDE-JTQLQIEISA-N -1 0 361.383 2.435 20 30 FEEDRM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ncccc2C#N)cc1 ZINC000191107021 328250238 /nfs/dbraw/zinc/25/02/38/328250238.db2.gz CAGVLTYDKQFDIH-UHFFFAOYSA-N -1 0 358.423 2.236 20 30 FEEDRM CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000195444096 328477657 /nfs/dbraw/zinc/47/76/57/328477657.db2.gz CXYAIKMPAUXLKU-UHFFFAOYSA-N -1 0 364.814 2.157 20 30 FEEDRM CCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000097698105 325463309 /nfs/dbraw/zinc/46/33/09/325463309.db2.gz DYNKSYDBVQETQM-NSHDSACASA-N -1 0 363.377 2.119 20 30 FEEDRM CSc1[n-]c(=O)c(C(=O)NCCOc2ccccc2Cl)cc1C#N ZINC000120400162 326255627 /nfs/dbraw/zinc/25/56/27/326255627.db2.gz OJMZJHVMJOZFRF-UHFFFAOYSA-N -1 0 363.826 2.431 20 30 FEEDRM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1F ZINC000126027837 326481917 /nfs/dbraw/zinc/48/19/17/326481917.db2.gz MYOQKMQHYSHXBJ-UHFFFAOYSA-N -1 0 368.411 2.043 20 30 FEEDRM CSc1[n-]c(=O)c(C(=O)N(C)CCOCc2ccccc2)cc1C#N ZINC000155448377 326788335 /nfs/dbraw/zinc/78/83/35/326788335.db2.gz JGTCQHKDGOHNCH-UHFFFAOYSA-N -1 0 357.435 2.257 20 30 FEEDRM N#Cc1ccc(OCCNS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000173536127 327264703 /nfs/dbraw/zinc/26/47/03/327264703.db2.gz OMELEDXSRPYLSK-UHFFFAOYSA-N -1 0 356.325 2.333 20 30 FEEDRM COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000262180045 328848695 /nfs/dbraw/zinc/84/86/95/328848695.db2.gz OQHQCPQFUICQHU-CABCVRRESA-N -1 0 360.410 2.485 20 30 FEEDRM CCC[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000262639891 328877984 /nfs/dbraw/zinc/87/79/84/328877984.db2.gz HAMQSMOTHXOQPG-LLVKDONJSA-N -1 0 350.318 2.109 20 30 FEEDRM COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263176780 328922410 /nfs/dbraw/zinc/92/24/10/328922410.db2.gz SUZAGMJVGWOVKC-OCCSQVGLSA-N -1 0 361.398 2.158 20 30 FEEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)oc1C ZINC000268563579 329434881 /nfs/dbraw/zinc/43/48/81/329434881.db2.gz JWQCDETZNNPMKU-UHFFFAOYSA-N -1 0 363.395 2.113 20 30 FEEDRM CCOC(=O)Nc1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cc1C#N ZINC000271679713 329714575 /nfs/dbraw/zinc/71/45/75/329714575.db2.gz OHVKPWWJINCZMO-UHFFFAOYSA-N -1 0 360.370 2.056 20 30 FEEDRM N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000275055393 330006019 /nfs/dbraw/zinc/00/60/19/330006019.db2.gz TTWINKLSWSFWPR-JKSUJKDBSA-N -1 0 350.440 2.401 20 30 FEEDRM N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000275055390 330006074 /nfs/dbraw/zinc/00/60/74/330006074.db2.gz TTWINKLSWSFWPR-HZPDHXFCSA-N -1 0 350.440 2.401 20 30 FEEDRM C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000275081479 330008393 /nfs/dbraw/zinc/00/83/93/330008393.db2.gz YSSPCRABGBCRET-QMMMGPOBSA-N -1 0 350.318 2.109 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)o1 ZINC000554431092 674316777 /nfs/dbraw/zinc/31/67/77/674316777.db2.gz YZYALYSLVAVULO-GFCCVEGCSA-N -1 0 358.734 2.048 20 30 FEEDRM Cc1cc([C@H](NS(=O)(=O)c2ccc(C#N)o2)C(=O)[O-])ccc1Cl ZINC000554531018 674321947 /nfs/dbraw/zinc/32/19/47/674321947.db2.gz DOGJEZSSQUYRLP-ZDUSSCGKSA-N -1 0 354.771 2.217 20 30 FEEDRM C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000554531955 674322212 /nfs/dbraw/zinc/32/22/12/674322212.db2.gz DHFMVUOJLBVUSK-SECBINFHSA-N -1 0 364.345 2.356 20 30 FEEDRM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000158964304 545909509 /nfs/dbraw/zinc/90/95/09/545909509.db2.gz QATXNUYJFUVALX-QGZVFWFLSA-N -1 0 366.377 2.323 20 30 FEEDRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CC#N)c(F)c1Cl ZINC000173079593 546272755 /nfs/dbraw/zinc/27/27/55/546272755.db2.gz BKHDZWYKQGGEFE-LURJTMIESA-N -1 0 351.762 2.157 20 30 FEEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)c(F)c1 ZINC000177147960 546556207 /nfs/dbraw/zinc/55/62/07/546556207.db2.gz MDTQWKMBBZQOIN-UHFFFAOYSA-N -1 0 364.373 2.292 20 30 FEEDRM C[C@]([N-]C(=O)C(F)(F)C(F)F)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177398094 546609905 /nfs/dbraw/zinc/60/99/05/546609905.db2.gz QAUVRSWTDIHGJS-LLVKDONJSA-N -1 0 360.229 2.423 20 30 FEEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)n1 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COc1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)ccc1Br ZINC000185648147 548015279 /nfs/dbraw/zinc/01/52/79/548015279.db2.gz VYKGBMQOZIXQAV-UHFFFAOYSA-N -1 0 371.216 2.162 20 30 FEEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000185698489 548021280 /nfs/dbraw/zinc/02/12/80/548021280.db2.gz INUUTAVGEJATQX-UHFFFAOYSA-N -1 0 361.427 2.464 20 30 FEEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000186432580 548134146 /nfs/dbraw/zinc/13/41/46/548134146.db2.gz AFOYBXHIIDUVMI-UHFFFAOYSA-N -1 0 371.397 2.446 20 30 FEEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(F)c1 ZINC000245543999 548943393 /nfs/dbraw/zinc/94/33/93/548943393.db2.gz MAGZRAPVKKUWDQ-COLVAYQJSA-N -1 0 354.378 2.072 20 30 FEEDRM COc1ccc([C@H]2CCN(CC#N)C[C@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC000245958338 549028148 /nfs/dbraw/zinc/02/81/48/549028148.db2.gz XRWMXERUFZIEMM-DGCLKSJQSA-N -1 0 359.323 2.194 20 30 FEEDRM N#Cc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1C(F)(F)F ZINC000262167719 549794500 /nfs/dbraw/zinc/79/45/00/549794500.db2.gz HMWNANZTFLLPIR-UHFFFAOYSA-N -1 0 362.329 2.062 20 30 FEEDRM C=CCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)C(=O)[O-] ZINC000262845097 549855044 /nfs/dbraw/zinc/85/50/44/549855044.db2.gz HGTRGMMOSAKBSA-IAGOWNOFSA-N -1 0 358.438 2.003 20 30 FEEDRM C=CCOC[C@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1)C(=O)[O-] ZINC000262926934 549863106 /nfs/dbraw/zinc/86/31/06/549863106.db2.gz GRQXDUUBVFNHMQ-HNNXBMFYSA-N -1 0 366.389 2.196 20 30 FEEDRM C=CCOC[C@@H](NC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1)C(=O)[O-] ZINC000262926935 549863147 /nfs/dbraw/zinc/86/31/47/549863147.db2.gz GRQXDUUBVFNHMQ-OAHLLOKOSA-N -1 0 366.389 2.196 20 30 FEEDRM C=CCOc1cccnc1C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-] ZINC000262951677 549865445 /nfs/dbraw/zinc/86/54/45/549865445.db2.gz MQJMFIKIWWXJFE-OAHLLOKOSA-N -1 0 370.405 2.328 20 30 FEEDRM C=CCOC[C@@H](NC(=O)c1cc(Br)cn1C(C)C)C(=O)[O-] ZINC000262962107 549866047 /nfs/dbraw/zinc/86/60/47/549866047.db2.gz JINQZGOELCSMLY-LLVKDONJSA-N -1 0 359.220 2.217 20 30 FEEDRM C=CCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)[O-] ZINC000263001429 549870050 /nfs/dbraw/zinc/87/00/50/549870050.db2.gz WIZRWBZEVSMNTE-GOEBONIOSA-N -1 0 359.426 2.466 20 30 FEEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000263049256 549873718 /nfs/dbraw/zinc/87/37/18/549873718.db2.gz WURNDWPVYFREGU-ZDUSSCGKSA-N -1 0 359.300 2.196 20 30 FEEDRM C=CCOC[C@H](NC(=O)c1cnn(-c2ccccc2)c1CCC)C(=O)[O-] ZINC000263096387 549877480 /nfs/dbraw/zinc/87/74/80/549877480.db2.gz TVJYXZXPKNHQJW-INIZCTEOSA-N -1 0 357.410 2.210 20 30 FEEDRM C=CCOC[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC000263126053 549879555 /nfs/dbraw/zinc/87/95/55/549879555.db2.gz VPPNHYHSAYJQSY-INIZCTEOSA-N -1 0 355.394 2.135 20 30 FEEDRM N#CC1(C(=O)NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)CCOCC1 ZINC000263246825 549888938 /nfs/dbraw/zinc/88/89/38/549888938.db2.gz USHOYBWOAZRXMK-UHFFFAOYSA-N -1 0 371.418 2.445 20 30 FEEDRM N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263472438 549903251 /nfs/dbraw/zinc/90/32/51/549903251.db2.gz IEDYCWOZPLQRAQ-XHDPSFHLSA-N -1 0 354.815 2.087 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(Cl)c1 ZINC000263465397 549903469 /nfs/dbraw/zinc/90/34/69/549903469.db2.gz GBOZLWZIAASORI-XHDPSFHLSA-N -1 0 354.815 2.087 20 30 FEEDRM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccn(CCC#N)n2)cc1 ZINC000265582520 550012242 /nfs/dbraw/zinc/01/22/42/550012242.db2.gz PXYMEYBLSPCPFY-UHFFFAOYSA-N -1 0 364.427 2.013 20 30 FEEDRM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000269292995 550177524 /nfs/dbraw/zinc/17/75/24/550177524.db2.gz MGSURVQEEVPMSR-UHFFFAOYSA-N -1 0 367.876 2.081 20 30 FEEDRM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)n(CCC#N)n2)ccc1F ZINC000271074733 550337853 /nfs/dbraw/zinc/33/78/53/550337853.db2.gz PJOUKHASCMAGPN-UHFFFAOYSA-N -1 0 365.390 2.004 20 30 FEEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H]2COC3(CCOCC3)O2)c1[O-] ZINC000271933222 550412107 /nfs/dbraw/zinc/41/21/07/550412107.db2.gz MBIDKELNDKUPPB-KOSUEXCASA-N -1 0 356.762 2.295 20 30 FEEDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)nn1CCC#N ZINC000272105330 550423200 /nfs/dbraw/zinc/42/32/00/550423200.db2.gz MXJGPZVBNUNUSD-UHFFFAOYSA-N -1 0 367.362 2.262 20 30 FEEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c(C)o1 ZINC000272506418 550454343 /nfs/dbraw/zinc/45/43/43/550454343.db2.gz VIDDCUUFVDSXQE-SNVBAGLBSA-N -1 0 364.379 2.466 20 30 FEEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@@H](O)C(C)(C)C3)cc2[n-]c1=S ZINC000275794397 550574571 /nfs/dbraw/zinc/57/45/71/550574571.db2.gz HKRCTWZONVJHBW-OAHLLOKOSA-N -1 0 373.478 2.104 20 30 FEEDRM COC(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c1C ZINC000277035153 550624467 /nfs/dbraw/zinc/62/44/67/550624467.db2.gz LAIYQRHIRRGLGF-UHFFFAOYSA-N -1 0 360.395 2.055 20 30 FEEDRM CCOC(=O)c1n[nH]c(C2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)n1 ZINC000287081866 551961483 /nfs/dbraw/zinc/96/14/83/551961483.db2.gz NIMSTFYRHXXXGG-UHFFFAOYSA-N -1 0 371.372 2.012 20 30 FEEDRM CCCCC[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)o1 ZINC000287573485 552020781 /nfs/dbraw/zinc/02/07/81/552020781.db2.gz PIESOHCXANMRFH-RYUDHWBXSA-N -1 0 358.441 2.248 20 30 FEEDRM CCCCC[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C#N)o1 ZINC000287573481 552020812 /nfs/dbraw/zinc/02/08/12/552020812.db2.gz PIESOHCXANMRFH-NWDGAFQWSA-N -1 0 358.441 2.248 20 30 FEEDRM Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000288641324 552190374 /nfs/dbraw/zinc/19/03/74/552190374.db2.gz SWRDMNARDUGATH-UHFFFAOYSA-N -1 0 361.423 2.093 20 30 FEEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1OC ZINC000500469141 561574134 /nfs/dbraw/zinc/57/41/34/561574134.db2.gz KAWIWKADJKDOAV-UHFFFAOYSA-N -1 0 360.391 2.463 20 30 FEEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000290455382 552481668 /nfs/dbraw/zinc/48/16/68/552481668.db2.gz CYPKCLYBCRFRHI-UHFFFAOYSA-N -1 0 370.434 2.380 20 30 FEEDRM COC(=O)C1(CS(=O)(=O)[N-]c2cc(C#N)ccc2OC)CCCC1 ZINC000290703678 552522886 /nfs/dbraw/zinc/52/28/86/552522886.db2.gz SMCHMXVFGVPBQN-UHFFFAOYSA-N -1 0 352.412 2.042 20 30 FEEDRM CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000294773133 552933189 /nfs/dbraw/zinc/93/31/89/552933189.db2.gz GCLKLSYBJNOLOV-NSHDSACASA-N -1 0 358.402 2.271 20 30 FEEDRM CC(C)c1nnc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[nH]1 ZINC000295354798 552992717 /nfs/dbraw/zinc/99/27/17/552992717.db2.gz ROTJGMHNACGQLW-UHFFFAOYSA-N -1 0 373.360 2.297 20 30 FEEDRM Cc1csc([C@H]([N-]S(=O)(=O)c2cccnc2C#N)C(F)(F)F)n1 ZINC000296991518 553239573 /nfs/dbraw/zinc/23/95/73/553239573.db2.gz JCLMDSDOUPIXCA-JTQLQIEISA-N -1 0 362.358 2.300 20 30 FEEDRM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000600668365 553297065 /nfs/dbraw/zinc/29/70/65/553297065.db2.gz PEWJPXKBPPSOML-GFCCVEGCSA-N -1 0 355.416 2.153 20 30 FEEDRM O=C(c1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1)N1CCOCC1 ZINC000299259297 553538164 /nfs/dbraw/zinc/53/81/64/553538164.db2.gz SIZNUCAJEOSERX-DEDYPNTBSA-N -1 0 369.377 2.392 20 30 FEEDRM COC(=O)c1ncsc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000316946340 553761768 /nfs/dbraw/zinc/76/17/68/553761768.db2.gz WLRCZPOFOULXFO-UHFFFAOYSA-N -1 0 357.800 2.256 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3CC[C@@H](C(=O)[O-])C[C@H]32)c(Cl)c1 ZINC000326581038 553781766 /nfs/dbraw/zinc/78/17/66/553781766.db2.gz ILCIRFZMMHQGJQ-OUCADQQQSA-N -1 0 368.842 2.476 20 30 FEEDRM Cc1ccc(N(CCC(=O)[O-])S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 ZINC000327845949 553791839 /nfs/dbraw/zinc/79/18/39/553791839.db2.gz QJOCEHQUHFXWNS-UHFFFAOYSA-N -1 0 359.407 2.240 20 30 FEEDRM O=C(N=c1[n-]nc(CC(F)(F)F)s1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000330140321 554072435 /nfs/dbraw/zinc/07/24/35/554072435.db2.gz WWNLLSACMXSMJS-HLTSFMKQSA-N -1 0 350.366 2.926 20 30 FEEDRM Cc1csc2ncc(/C([O-])=N/[C@@H]3CCO[C@H](c4cncn4C)C3)c(=O)n12 ZINC000330334088 554106979 /nfs/dbraw/zinc/10/69/79/554106979.db2.gz QIBIYMFMLNAZGF-RISCZKNCSA-N -1 0 373.438 2.023 20 30 FEEDRM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(Br)ccc1C#N ZINC000508187145 561754305 /nfs/dbraw/zinc/75/43/05/561754305.db2.gz LDYPPLLPIQLHTO-UHFFFAOYSA-N -1 0 355.217 2.164 20 30 FEEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nnc(Cc3cccc(F)c3)[nH]2)c1 ZINC000508071069 561750302 /nfs/dbraw/zinc/75/03/02/561750302.db2.gz ZYABZTDDOYSTRN-UHFFFAOYSA-N -1 0 357.370 2.207 20 30 FEEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@]1(C(F)(F)F)CCOC1 ZINC000508081949 561750532 /nfs/dbraw/zinc/75/05/32/561750532.db2.gz FAOZEKLMMXCRDJ-NSHDSACASA-N -1 0 354.737 2.211 20 30 FEEDRM COC(=O)c1ncc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000508083918 561750872 /nfs/dbraw/zinc/75/08/72/561750872.db2.gz LBOQSNJBBDZKKK-UHFFFAOYSA-N -1 0 351.771 2.194 20 30 FEEDRM Cc1nn(C)c(C)c1[C@@H](NC([O-])=Nc1cccn(C)c1=O)C(F)(F)F ZINC000330711599 554161471 /nfs/dbraw/zinc/16/14/71/554161471.db2.gz YCBJSFXXXRQIPV-GFCCVEGCSA-N -1 0 357.336 2.174 20 30 FEEDRM CCSc1n[n-]c(=NC(=O)NC2CCN(C(=O)CC(C)C)CC2)s1 ZINC000330786690 554171285 /nfs/dbraw/zinc/17/12/85/554171285.db2.gz WCCGCYLYJDNNDH-UHFFFAOYSA-N -1 0 371.532 3.013 20 30 FEEDRM CCOC(=O)c1[n-]c(=NC(=O)N2CCOC[C@@H]2CC)sc1C(C)=O ZINC000331257393 554237586 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C=C[C@H](CCC(=O)[O-])NS(=O)(=O)Cc1ccccc1Br ZINC000579681478 671752858 /nfs/dbraw/zinc/75/28/58/671752858.db2.gz JTUMHYAJCYVTDA-LLVKDONJSA-N -1 0 362.245 2.288 20 30 FEEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1NC(C)=O ZINC000610057260 675949178 /nfs/dbraw/zinc/94/91/78/675949178.db2.gz KBRYKPIACDQPQS-UHFFFAOYSA-N -1 0 363.370 2.465 20 30 FEEDRM C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000581769884 671935803 /nfs/dbraw/zinc/93/58/03/671935803.db2.gz PSNHAZIKVVABDC-DOMZBBRYSA-N -1 0 363.211 2.364 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)c(F)c1 ZINC000121177866 671944064 /nfs/dbraw/zinc/94/40/64/671944064.db2.gz PETZEDFMRKZWEV-UHFFFAOYSA-N -1 0 352.294 2.368 20 30 FEEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc3ncccc3c2)c1 ZINC000121857118 671958938 /nfs/dbraw/zinc/95/89/38/671958938.db2.gz IFHKIECEQVRBSM-UHFFFAOYSA-N -1 0 351.387 2.366 20 30 FEEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2Cl)c1 ZINC000122527768 671968218 /nfs/dbraw/zinc/96/82/18/671968218.db2.gz KEUAWFAOYKJKQW-LBPRGKRZSA-N -1 0 353.769 2.465 20 30 FEEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)COc1ccccc1C(F)(F)F ZINC000122970056 671973291 /nfs/dbraw/zinc/97/32/91/671973291.db2.gz ZOAHYGXCZPYSMT-JTQLQIEISA-N -1 0 351.284 2.409 20 30 FEEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccn(C3CCCC3)n2)c1 ZINC000123985069 671988641 /nfs/dbraw/zinc/98/86/41/671988641.db2.gz KPZYFOVBALOENH-UHFFFAOYSA-N -1 0 358.423 2.130 20 30 FEEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000125154389 672007572 /nfs/dbraw/zinc/00/75/72/672007572.db2.gz XZKZFHIWMHUKHC-GFCCVEGCSA-N -1 0 360.801 2.205 20 30 FEEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(S(C)(=O)=O)cc1 ZINC000125605394 672013940 /nfs/dbraw/zinc/01/39/40/672013940.db2.gz CJQKAZNBOKVOIM-OAHLLOKOSA-N -1 0 350.440 2.109 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccnc2)c(C(F)(F)F)c1 ZINC000127472390 672037738 /nfs/dbraw/zinc/03/77/38/672037738.db2.gz WRAQPYUMHJIEDF-UHFFFAOYSA-N -1 0 355.297 2.091 20 30 FEEDRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)COc2ccc(C#N)cc2)cc1F ZINC000129155776 672058203 /nfs/dbraw/zinc/05/82/03/672058203.db2.gz RKEYMRKXOMARIH-UHFFFAOYSA-N -1 0 366.345 2.029 20 30 FEEDRM C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCS3)cc2[n-]c1=S ZINC000130729525 672079130 /nfs/dbraw/zinc/07/91/30/672079130.db2.gz JVGZECOKEMWTTF-GFCCVEGCSA-N -1 0 361.492 2.497 20 30 FEEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000130966265 672081999 /nfs/dbraw/zinc/08/19/99/672081999.db2.gz GWNKZSJSZBSPDA-CYBMUJFWSA-N -1 0 353.762 2.113 20 30 FEEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C1CC1 ZINC000151735840 672168677 /nfs/dbraw/zinc/16/86/77/672168677.db2.gz DPAFXWJYOANQDM-MRVPVSSYSA-N -1 0 357.229 2.172 20 30 FEEDRM CC1([C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C(=O)[O-])CCCCC1 ZINC000584284748 672173168 /nfs/dbraw/zinc/17/31/68/672173168.db2.gz MPGURHWIKQSTMW-CQSZACIVSA-N -1 0 354.403 2.399 20 30 FEEDRM C=CC[C@@H](CC)NC(=O)N[C@@](C)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000584824160 672219173 /nfs/dbraw/zinc/21/91/73/672219173.db2.gz RCHKCMSAHVCQGQ-CXAGYDPISA-N -1 0 368.455 2.044 20 30 FEEDRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000160038807 672288574 /nfs/dbraw/zinc/28/85/74/672288574.db2.gz DKFDSZOOEPDQRF-UHFFFAOYSA-N -1 0 360.366 2.381 20 30 FEEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)Cc2cc(F)ccc2F)c1 ZINC000174147789 672358518 /nfs/dbraw/zinc/35/85/18/672358518.db2.gz LBUDYKCBNWDYKL-UHFFFAOYSA-N -1 0 350.346 2.025 20 30 FEEDRM N#CCc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000180878029 672419525 /nfs/dbraw/zinc/41/95/25/672419525.db2.gz UKJJBMIIFAFVAI-UHFFFAOYSA-N -1 0 356.403 2.196 20 30 FEEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000181274496 672424218 /nfs/dbraw/zinc/42/42/18/672424218.db2.gz WCBBDTYUEIJXOZ-UHFFFAOYSA-N -1 0 367.427 2.236 20 30 FEEDRM CNC(=S)NN=Cc1ccc(Cl)c(I)c1[O-] ZINC000788698213 682551713 /nfs/dbraw/zinc/55/17/13/682551713.db2.gz UMRSHNUZQPDDBJ-UHFFFAOYSA-N -1 0 369.615 2.078 20 30 FEEDRM N#Cc1cncc(S(=O)(=O)[N-]c2nnc(/C=C/c3ccco3)s2)c1 ZINC000589587607 672533017 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C[C@@H]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1C(=O)[O-] ZINC000593218865 672895253 /nfs/dbraw/zinc/89/52/53/672895253.db2.gz XMBHHOJEEWTJFM-IUODEOHRSA-N -1 0 350.440 2.219 20 30 FEEDRM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000593222920 672896053 /nfs/dbraw/zinc/89/60/53/672896053.db2.gz ZDRRMKWOONNMKE-LDYMZIIASA-N -1 0 362.329 2.203 20 30 FEEDRM C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000593257120 672899071 /nfs/dbraw/zinc/89/90/71/672899071.db2.gz RWTQZSBMBAHGFO-VXGBXAGGSA-N -1 0 356.419 2.396 20 30 FEEDRM N#Cc1sccc1S(=O)(=O)N1CCc2ccc(C(=O)[O-])cc2CC1 ZINC000593270537 672900208 /nfs/dbraw/zinc/90/02/08/672900208.db2.gz WMETYOQWJDYTGI-UHFFFAOYSA-N -1 0 362.432 2.107 20 30 FEEDRM Cc1ccc(C[C@@H](NS(=O)(=O)c2ccsc2C#N)C(=O)[O-])cc1C ZINC000593271939 672900600 /nfs/dbraw/zinc/90/06/00/672900600.db2.gz ZXPZORBJZJFRNA-CYBMUJFWSA-N -1 0 364.448 2.211 20 30 FEEDRM C=CCC[C@@H](NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000262940783 672923761 /nfs/dbraw/zinc/92/37/61/672923761.db2.gz PWDFREMCXVUPMO-CABCVRRESA-N -1 0 352.818 2.443 20 30 FEEDRM C[C@@H](C[C@H]1CCCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1)C(=O)[O-] ZINC000594572671 673099145 /nfs/dbraw/zinc/09/91/45/673099145.db2.gz AIQXLTHYGMUVLO-GXTWGEPZSA-N -1 0 368.430 2.350 20 30 FEEDRM C[C@@H](C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1)C(=O)[O-] ZINC000594574308 673100185 /nfs/dbraw/zinc/10/01/85/673100185.db2.gz XKDUPCQBBDNGKH-NWDGAFQWSA-N -1 0 354.403 2.209 20 30 FEEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000594673141 673111759 /nfs/dbraw/zinc/11/17/59/673111759.db2.gz HOFVCYPIPYSSMA-VXGBXAGGSA-N -1 0 362.432 2.389 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)N2CC3(CCCC3)[C@@H]2C(=O)[O-])cc1Cl ZINC000594675266 673112948 /nfs/dbraw/zinc/11/29/48/673112948.db2.gz QSXWVFPYYYSNEH-ZDUSSCGKSA-N -1 0 354.815 2.230 20 30 FEEDRM Cc1ncc(S(=O)(=O)N2CCCC[C@H]2CCCC(=O)[O-])cc1C#N ZINC000594676236 673113441 /nfs/dbraw/zinc/11/34/41/673113441.db2.gz ZQXMHUOFXQZZTF-AWEZNQCLSA-N -1 0 351.428 2.060 20 30 FEEDRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])C1 ZINC000594690925 673116334 /nfs/dbraw/zinc/11/63/34/673116334.db2.gz OCJDTFHHYQQXTQ-RBSFLKMASA-N -1 0 351.447 2.418 20 30 FEEDRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])C1 ZINC000594690937 673116578 /nfs/dbraw/zinc/11/65/78/673116578.db2.gz OCJDTFHHYQQXTQ-ZNMIVQPWSA-N -1 0 351.447 2.418 20 30 FEEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccn(C3CCOCC3)n2)c(F)c1 ZINC000594697553 673118560 /nfs/dbraw/zinc/11/85/60/673118560.db2.gz YYDKZDHXKMXDPP-UHFFFAOYSA-N -1 0 368.365 2.185 20 30 FEEDRM CC(C)(C)OC(=O)c1ccnc([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000594723801 673123621 /nfs/dbraw/zinc/12/36/21/673123621.db2.gz LYZSFXUPJZUWSN-UHFFFAOYSA-N -1 0 360.395 2.104 20 30 FEEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CCOC2 ZINC000728763536 673210719 /nfs/dbraw/zinc/21/07/19/673210719.db2.gz PKWAPSMWSXKXMS-CYBMUJFWSA-N -1 0 350.440 2.075 20 30 FEEDRM N#CCn1c(C(=O)[N-]S(=O)(=O)c2ccccc2F)cc2ccccc21 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362.451 2.474 20 30 FEEDRM O=C([O-])COc1cccc(C=NNC(=S)NCc2ccc(F)cc2)c1 ZINC000733203275 673402949 /nfs/dbraw/zinc/40/29/49/673402949.db2.gz AQZMEHUPDWHPNQ-UHFFFAOYSA-N -1 0 361.398 2.287 20 30 FEEDRM C=CC[C@H](CO)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000539222773 673479555 /nfs/dbraw/zinc/47/95/55/673479555.db2.gz NJLVEDAUWWWVNV-QMMMGPOBSA-N -1 0 369.226 2.365 20 30 FEEDRM C[C@H](Sc1ccc(Br)cc1)C(=O)N(CC#N)CC(=O)[O-] ZINC000736714052 673538071 /nfs/dbraw/zinc/53/80/71/673538071.db2.gz XHMQLYNMUTUGIA-VIFPVBQESA-N -1 0 357.229 2.366 20 30 FEEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000543164305 673628832 /nfs/dbraw/zinc/62/88/32/673628832.db2.gz MXOCNURJIZBLJF-UHFFFAOYSA-N -1 0 357.391 2.256 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccn3)n2)c(F)c1 ZINC000739668551 673634300 /nfs/dbraw/zinc/63/43/00/673634300.db2.gz PGCWFLLVSWXXNX-UHFFFAOYSA-N -1 0 357.370 2.138 20 30 FEEDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000543911407 673678289 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CN(C)c1cccc(CCC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000805912981 674360005 /nfs/dbraw/zinc/36/00/05/674360005.db2.gz MXWXHIBBKCQHHR-UHFFFAOYSA-N -1 0 363.483 2.215 20 30 FEEDRM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c([N+](=O)[O-])n1 ZINC000480697176 561214675 /nfs/dbraw/zinc/21/46/75/561214675.db2.gz ADBJTKCASNALTQ-UHFFFAOYSA-N -1 0 355.763 2.137 20 30 FEEDRM CC(C)(C#N)C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000178101289 546739646 /nfs/dbraw/zinc/73/96/46/546739646.db2.gz ZJPYXSIEXCQOOL-UHFFFAOYSA-N -1 0 350.425 2.432 20 30 FEEDRM N#CC(=C([O-])c1cn([C@H]2CCOC2)nn1)c1nc2ccccc2n1C(F)F ZINC000482571838 561256290 /nfs/dbraw/zinc/25/62/90/561256290.db2.gz CGQLZUREBLLHHS-WDEREUQCSA-N -1 0 372.335 2.474 20 30 FEEDRM Cc1c(C([O-])=C(C#N)c2ccncn2)nnn1Cc1ccc(F)cc1F ZINC000482872918 561261924 /nfs/dbraw/zinc/26/19/24/561261924.db2.gz ZMWOMYOAPKEYBY-CYBMUJFWSA-N -1 0 354.320 2.193 20 30 FEEDRM N#CCCn1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)n1 ZINC000181713907 547365856 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/nfs/dbraw/zinc/85/23/08/602852308.db2.gz ITBFYULIQFITBK-HNNXBMFYSA-N -1 0 357.410 2.461 20 30 FEEDRM N#CCN(C(=O)COC(=O)c1ccc(NC(=O)[O-])cc1O)c1ccccc1 ZINC000740308203 602879551 /nfs/dbraw/zinc/87/95/51/602879551.db2.gz GOVRJOLEFGPNJQ-UHFFFAOYSA-N -1 0 369.333 2.196 20 30 FEEDRM N#C[C@@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000740303448 602893441 /nfs/dbraw/zinc/89/34/41/602893441.db2.gz JPEQSHWPEVPFQY-UONOGXRCSA-N -1 0 351.790 2.180 20 30 FEEDRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCc1ccc(C#N)cc1F ZINC000739965100 602904653 /nfs/dbraw/zinc/90/46/53/602904653.db2.gz CRKTYNNVGNSSGR-INIZCTEOSA-N -1 0 357.341 2.331 20 30 FEEDRM C[C@@](C#N)(NC(=O)COC(=O)c1ccc(NC(=O)[O-])cc1Cl)C1CC1 ZINC000738596735 602904704 /nfs/dbraw/zinc/90/47/04/602904704.db2.gz MJFLZNDFTHSCQL-INIZCTEOSA-N -1 0 365.773 2.395 20 30 FEEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739830318 603165966 /nfs/dbraw/zinc/16/59/66/603165966.db2.gz ZPGNXZSRKGMBEE-DLBZAZTESA-N -1 0 359.426 2.360 20 30 FEEDRM N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CC1 ZINC000740323801 603188159 /nfs/dbraw/zinc/18/81/59/603188159.db2.gz RVGYTMAWDSLNEN-GOEBONIOSA-N -1 0 356.426 2.033 20 30 FEEDRM C=CC1CCN(C(=O)C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)CC1 ZINC000738494063 603312712 /nfs/dbraw/zinc/31/27/12/603312712.db2.gz QAVPSDIERRMGBD-UHFFFAOYSA-N -1 0 357.410 2.086 20 30 FEEDRM C[C@@](C#N)(NC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)C1CCCCC1 ZINC000738597916 603333657 /nfs/dbraw/zinc/33/36/57/603333657.db2.gz WCMAEOJTEXUAKK-SFHVURJKSA-N -1 0 374.445 2.185 20 30 FEEDRM CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739712525 603393065 /nfs/dbraw/zinc/39/30/65/603393065.db2.gz CWBWKJMKJZCZPX-UHFFFAOYSA-N -1 0 352.350 2.245 20 30 FEEDRM C=CCn1c(C2CC2)nn(CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1=S ZINC000738503566 603395833 /nfs/dbraw/zinc/39/58/33/603395833.db2.gz SBUWLRVIPKUPHJ-WCQYABFASA-N -1 0 351.476 2.413 20 30 FEEDRM CN(CC(C)(C)CNC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1C#N ZINC000828153797 603452281 /nfs/dbraw/zinc/45/22/81/603452281.db2.gz BJLGCBVSAUEUGN-UHFFFAOYSA-N -1 0 359.835 2.126 20 30 FEEDRM CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828090594 603504746 /nfs/dbraw/zinc/50/47/46/603504746.db2.gz PHUIWKAJQWLLGW-OAHLLOKOSA-N -1 0 364.833 2.271 20 30 FEEDRM CCN(CC1CCN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000827089098 603542588 /nfs/dbraw/zinc/54/25/88/603542588.db2.gz FSDXHIJYHHLZKX-QGZVFWFLSA-N -1 0 359.426 2.484 20 30 FEEDRM N#Cc1ccc(F)c(CNC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)c1 ZINC000831131852 603544220 /nfs/dbraw/zinc/54/42/20/603544220.db2.gz DDCLSQCZQFTOJA-UHFFFAOYSA-N -1 0 353.353 2.119 20 30 FEEDRM COC(=O)[C@H](NC[C@@H](NC(=O)[O-])c1ccccc1)c1cccc(C#N)c1 ZINC000828612725 603565297 /nfs/dbraw/zinc/56/52/97/603565297.db2.gz OQRWDKCYCGAOHJ-IAGOWNOFSA-N -1 0 353.378 2.371 20 30 FEEDRM N#Cc1cccc(OC2CCN(C(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)CC2)c1 ZINC000831152803 603572856 /nfs/dbraw/zinc/57/28/56/603572856.db2.gz NHCWHWFITFZGRM-HUUCEWRRSA-N -1 0 357.410 2.364 20 30 FEEDRM Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc(C)c1OC(F)F ZINC000829930391 603589291 /nfs/dbraw/zinc/58/92/91/603589291.db2.gz RHTLPUWELNZZNN-LBPRGKRZSA-N -1 0 353.325 2.233 20 30 FEEDRM N#Cc1ccccc1N1CCC(NC(=O)CN(CC2CC2)C(=O)[O-])CC1 ZINC000831153165 603605237 /nfs/dbraw/zinc/60/52/37/603605237.db2.gz ZOLBWROYLHRZTI-UHFFFAOYSA-N -1 0 356.426 2.033 20 30 FEEDRM CCC[C@@](C)(NC(=O)[O-])C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000826720600 603612268 /nfs/dbraw/zinc/61/22/68/603612268.db2.gz KCSGGTBBUMRXDJ-MEDUHNTESA-N -1 0 365.411 2.095 20 30 FEEDRM COC(=O)[C@H](OC(=O)C(C)(C)C(C)(C)NC(=O)[O-])c1cccc(C#N)c1 ZINC000828612634 603613717 /nfs/dbraw/zinc/61/37/17/603613717.db2.gz METBSBTUUUYKCD-CYBMUJFWSA-N -1 0 362.382 2.388 20 30 FEEDRM C=CCn1c(Cc2ccccc2)nnc1S[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000823521309 603682081 /nfs/dbraw/zinc/68/20/81/603682081.db2.gz ALCHZGWYDWOLDN-OAHLLOKOSA-N -1 0 372.450 2.468 20 30 FEEDRM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C(C)(C)C(C)(C)NC(=O)[O-] ZINC000825536165 603771626 /nfs/dbraw/zinc/77/16/26/603771626.db2.gz QFERPBHUDUQPDK-DIFFPNOSSA-N -1 0 355.435 2.045 20 30 FEEDRM CCC[C@](C)(NC(=O)[O-])C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000826730114 603802633 /nfs/dbraw/zinc/80/26/33/603802633.db2.gz WPSTZFSFKITFSB-KRWDZBQOSA-N -1 0 358.354 2.478 20 30 FEEDRM COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000829632345 603804315 /nfs/dbraw/zinc/80/43/15/603804315.db2.gz FKIHKUXFMDMTOJ-LSDHHAIUSA-N -1 0 374.441 2.014 20 30 FEEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000828984287 603835822 /nfs/dbraw/zinc/83/58/22/603835822.db2.gz CJALHJJXOQRPMY-IAGOWNOFSA-N -1 0 374.441 2.153 20 30 FEEDRM COC(=O)[C@H](OC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000828612764 603876925 /nfs/dbraw/zinc/87/69/25/603876925.db2.gz PLGUOXAMBBHJSF-QLFBSQMISA-N -1 0 360.366 2.142 20 30 FEEDRM C=CCn1c(-c2ccncc2)nn(CN2CC[C@H](N(C)C(=O)[O-])C2)c1=S ZINC000823521471 603914868 /nfs/dbraw/zinc/91/48/68/603914868.db2.gz CUYIDLCIMYACFK-AWEZNQCLSA-N -1 0 374.470 2.304 20 30 FEEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000823516530 603940244 /nfs/dbraw/zinc/94/02/44/603940244.db2.gz NQZOEHCHHDABIZ-AWEZNQCLSA-N -1 0 370.409 2.309 20 30 FEEDRM CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828125719 603997269 /nfs/dbraw/zinc/99/72/69/603997269.db2.gz PPYUDVZNPZKLSW-CQSZACIVSA-N -1 0 354.410 2.422 20 30 FEEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000831132599 604028015 /nfs/dbraw/zinc/02/80/15/604028015.db2.gz ZTAWAJKMQKOAFM-FGTMMUONSA-N -1 0 368.437 2.270 20 30 FEEDRM C[C@@H](NC(=O)[O-])C1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000825288713 604052884 /nfs/dbraw/zinc/05/28/84/604052884.db2.gz RJCAIASOJFUMCA-GFCCVEGCSA-N -1 0 355.398 2.476 20 30 FEEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COc1c(Cl)cccc1Cl ZINC000831081934 604084148 /nfs/dbraw/zinc/08/41/48/604084148.db2.gz DQXUOURLEQMLLQ-VIFPVBQESA-N -1 0 358.181 2.087 20 30 FEEDRM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823677618 604229653 /nfs/dbraw/zinc/22/96/53/604229653.db2.gz LWCVTTXLEBAKAH-AUUYWEPGSA-N -1 0 364.490 2.284 20 30 FEEDRM C[C@@H](CC(=O)NCCOc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824646649 604369590 /nfs/dbraw/zinc/36/95/90/604369590.db2.gz MOCVEAOIIQGZMO-GOEBONIOSA-N -1 0 359.426 2.469 20 30 FEEDRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CCO1 ZINC000825317310 604447279 /nfs/dbraw/zinc/44/72/79/604447279.db2.gz DUDUKUJDHPTAFH-DGCLKSJQSA-N -1 0 363.418 2.004 20 30 FEEDRM N#Cc1c(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)cccc1C(=O)[O-] ZINC000833761307 604551485 /nfs/dbraw/zinc/55/14/85/604551485.db2.gz UDQXMFICUIYFIL-UHFFFAOYSA-N -1 0 366.289 2.030 20 30 FEEDRM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833420146 604579735 /nfs/dbraw/zinc/57/97/35/604579735.db2.gz BETGIEXLXSPWPV-OAHLLOKOSA-N -1 0 358.394 2.337 20 30 FEEDRM CC(C)c1c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)cnc2ncnn21 ZINC000833508300 604580860 /nfs/dbraw/zinc/58/08/60/604580860.db2.gz CKCMRZPVFCPTFU-UHFFFAOYSA-N -1 0 365.349 2.175 20 30 FEEDRM CC(C)[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)N1C[C@@H](C)O[C@H](C)C1 ZINC000833621907 604583134 /nfs/dbraw/zinc/58/31/34/604583134.db2.gz KSJAFGVMMKNNLS-HBUWYVDXSA-N -1 0 374.437 2.433 20 30 FEEDRM C[C@H](Oc1cccc(CO)c1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833538908 604586802 /nfs/dbraw/zinc/58/68/02/604586802.db2.gz BIRRSICMIZMKOT-LBPRGKRZSA-N -1 0 355.346 2.259 20 30 FEEDRM C#CC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000833360596 604649296 /nfs/dbraw/zinc/64/92/96/604649296.db2.gz MIMNUFMZZBBJTB-OAHLLOKOSA-N -1 0 354.337 2.343 20 30 FEEDRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000829973333 604724883 /nfs/dbraw/zinc/72/48/83/604724883.db2.gz WHJOPDATNCEPGN-INIZCTEOSA-N -1 0 369.377 2.307 20 30 FEEDRM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000833005129 604727694 /nfs/dbraw/zinc/72/76/94/604727694.db2.gz QKWCJJPNMBMBHX-UHFFFAOYSA-N -1 0 369.425 2.006 20 30 FEEDRM CN(C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)C1)C(=O)[O-] ZINC000828252699 604805592 /nfs/dbraw/zinc/80/55/92/604805592.db2.gz CJPKRTHIHBILKG-NSHDSACASA-N -1 0 350.350 2.192 20 30 FEEDRM C=CCOc1ccc(/C=C/C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1OC ZINC000776663696 604845394 /nfs/dbraw/zinc/84/53/94/604845394.db2.gz HYDRPPRWMVUXPA-SUQGKYDKSA-N -1 0 363.435 2.350 20 30 FEEDRM C[C@@H](OC(=O)c1cncc(C(=O)[O-])c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000833534894 605018036 /nfs/dbraw/zinc/01/80/36/605018036.db2.gz FFVYIOISUBALRZ-SECBINFHSA-N -1 0 373.752 2.489 20 30 FEEDRM C[C@H](CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCN(C(=O)[O-])CC1 ZINC000824710932 605233868 /nfs/dbraw/zinc/23/38/68/605233868.db2.gz NXARBNGNMFPUFA-SJKOYZFVSA-N -1 0 373.409 2.044 20 30 FEEDRM CC(C)[C@](C)(C#N)NC(=O)COC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000824728477 605235859 /nfs/dbraw/zinc/23/58/59/605235859.db2.gz MHVBRKFVBDCACF-UGSOOPFHSA-N -1 0 367.446 2.000 20 30 FEEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-] ZINC000833373890 605248926 /nfs/dbraw/zinc/24/89/26/605248926.db2.gz IBMDJRAFDAAWML-NSHDSACASA-N -1 0 355.412 2.195 20 30 FEEDRM C=CCc1ccc(OCC(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)c(OC)c1 ZINC000833379822 605269868 /nfs/dbraw/zinc/26/98/68/605269868.db2.gz MVCSZGQHVVDFFR-IBGZPJMESA-N -1 0 371.389 2.450 20 30 FEEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000824305332 605322263 /nfs/dbraw/zinc/32/22/63/605322263.db2.gz RWDBLJSVQBVPSQ-ZDUSSCGKSA-N -1 0 367.789 2.376 20 30 FEEDRM N#Cc1ccc(NCC(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)[O-])CC3)cc1 ZINC000833974409 605328521 /nfs/dbraw/zinc/32/85/21/605328521.db2.gz HOMFMKODGGTUDI-HNNXBMFYSA-N -1 0 365.393 2.129 20 30 FEEDRM N#C[C@H](c1ccccc1)N1CCN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833964111 605392073 /nfs/dbraw/zinc/39/20/73/605392073.db2.gz CNDOQLKAEXFIAL-FUHWJXTLSA-N -1 0 370.453 2.176 20 30 FEEDRM N#Cc1ccc(OC2CCC(NC(=O)C3(NC(=O)[O-])CCCC3)CC2)nc1 ZINC000833977901 605561006 /nfs/dbraw/zinc/56/10/06/605561006.db2.gz UPOLXOGKEVGYGS-UHFFFAOYSA-N -1 0 372.425 2.340 20 30 FEEDRM C[C@@H](NC(=O)[O-])[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000833821099 605669020 /nfs/dbraw/zinc/66/90/20/605669020.db2.gz YFZYVTPPZKFENG-DOMZBBRYSA-N -1 0 372.343 2.294 20 30 FEEDRM Cc1nn(Cc2ccccc2)c(C)c1CN[C@H]1CN(C(=O)[O-])C[C@H]1C#N ZINC000833919878 605683631 /nfs/dbraw/zinc/68/36/31/605683631.db2.gz AIQPLBIGCWPAHX-AEFFLSMTSA-N -1 0 353.426 2.140 20 30 FEEDRM N#Cc1ccc(CN(CCNC(=O)[O-])c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000833972053 605765761 /nfs/dbraw/zinc/76/57/61/605765761.db2.gz SXBHTVWEODNBIV-UHFFFAOYSA-N -1 0 351.366 2.414 20 30 FEEDRM N#Cc1ccc(-c2nnc(CN(C3CC3)[C@H]3CCN(C(=O)[O-])C3)o2)cc1 ZINC000833975466 605784124 /nfs/dbraw/zinc/78/41/24/605784124.db2.gz XKHSZWOTLOZADD-HNNXBMFYSA-N -1 0 353.382 2.325 20 30 FEEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000833967231 605831017 /nfs/dbraw/zinc/83/10/17/605831017.db2.gz QKDYWUHQFNVXRZ-QWHCGFSZSA-N -1 0 372.208 2.131 20 30 FEEDRM C[C@]1(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)CCCN(C(=O)[O-])C1 ZINC000833821731 605858370 /nfs/dbraw/zinc/85/83/70/605858370.db2.gz CPXJJILJNQSETJ-SFHVURJKSA-N -1 0 370.365 2.432 20 30 FEEDRM C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cc(C(=O)[O-])ccc2F)C1=O ZINC000833571699 605860262 /nfs/dbraw/zinc/86/02/62/605860262.db2.gz JXBROSSGDIUJKS-LJQANCHMSA-N -1 0 367.336 2.363 20 30 FEEDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)C[C@H]2CCCN2C(=O)[O-])n1 ZINC000833970591 605877572 /nfs/dbraw/zinc/87/75/72/605877572.db2.gz WABLKEFTQSTMOE-LLVKDONJSA-N -1 0 357.345 2.354 20 30 FEEDRM N#Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](NC(=O)[O-])C3)o2)cc1 ZINC000740319865 605948897 /nfs/dbraw/zinc/94/88/97/605948897.db2.gz ZUFJSWZDQLZZOI-ZDUSSCGKSA-N -1 0 355.350 2.212 20 30 FEEDRM N#CCCN(C(=O)CCC(=O)O[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000740308572 605957369 /nfs/dbraw/zinc/95/73/69/605957369.db2.gz MCLDVHGJVFPEKK-INIZCTEOSA-N -1 0 373.409 2.399 20 30 FEEDRM N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cnc(NC(=O)[O-])cn1 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ZHZRFCMIVPKXGU-QGZVFWFLSA-N -1 0 362.345 2.181 20 30 FEEDRM Cc1nn(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)c1[N+](=O)[O-] ZINC000833015261 601352269 /nfs/dbraw/zinc/35/22/69/601352269.db2.gz CCBJIRRGQMSQPU-INIZCTEOSA-N -1 0 372.337 2.039 20 30 FEEDRM N#Cc1cccc([C@H](OC(=O)c2ccccc2Cn2cncn2)C(=O)[O-])c1 ZINC000833077684 601355033 /nfs/dbraw/zinc/35/50/33/601355033.db2.gz YZNCEMVQDMHBGS-KRWDZBQOSA-N -1 0 362.345 2.181 20 30 FEEDRM N#Cc1cc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1F ZINC000833070681 601388880 /nfs/dbraw/zinc/38/88/80/601388880.db2.gz QWWBIKVMGIQAPZ-AWEZNQCLSA-N -1 0 368.773 2.455 20 30 FEEDRM N#CCCCOc1cccc(NC(=O)C(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC000833065782 601480529 /nfs/dbraw/zinc/48/05/29/601480529.db2.gz MGBDACWYTJFAOH-UHFFFAOYSA-N -1 0 373.409 2.069 20 30 FEEDRM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000825681648 601573945 /nfs/dbraw/zinc/57/39/45/601573945.db2.gz FEQJBUXEGXDPDD-UHFFFAOYSA-N -1 0 363.420 2.090 20 30 FEEDRM N#Cc1ccccc1COc1cccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000833075944 601608445 /nfs/dbraw/zinc/60/84/45/601608445.db2.gz ZMMDWUGOGNYBGQ-GOSISDBHSA-N -1 0 366.373 2.063 20 30 FEEDRM COC[C@](C)(NC(=O)c1cccc(OCc2ccccc2C#N)c1)C(=O)[O-] ZINC000831623407 601699655 /nfs/dbraw/zinc/69/96/55/601699655.db2.gz BPHJDCMYAGCRPA-FQEVSTJZSA-N -1 0 368.389 2.357 20 30 FEEDRM Cc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C)n1-c1ccc(C#N)cc1 ZINC000832861971 601741891 /nfs/dbraw/zinc/74/18/91/601741891.db2.gz QGXSDZJNRQOGKT-KRWDZBQOSA-N -1 0 367.405 2.282 20 30 FEEDRM C#CCN(C1CCCC1)S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000825609249 601811936 /nfs/dbraw/zinc/81/19/36/601811936.db2.gz ZAKNUGZZCATWMV-UHFFFAOYSA-N -1 0 351.424 2.107 20 30 FEEDRM CCOCCN1C(=O)N[C@H](c2ccc(O[C@H](C)C#N)cc2)C(C(=O)[O-])=C1C ZINC000830007429 601815251 /nfs/dbraw/zinc/81/52/51/601815251.db2.gz MUHGRTVFAKHAAE-SJKOYZFVSA-N -1 0 373.409 2.439 20 30 FEEDRM Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](CN(C)C(=O)[O-])C2)c(C#N)c1C ZINC000740275124 601850373 /nfs/dbraw/zinc/85/03/73/601850373.db2.gz ZKZLFHQLGBPARL-JSGCOSHPSA-N -1 0 362.430 2.417 20 30 FEEDRM C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000825702171 601856034 /nfs/dbraw/zinc/85/60/34/601856034.db2.gz FWEWYZCOBFZCHH-UHFFFAOYSA-N -1 0 372.352 2.344 20 30 FEEDRM C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(C#N)c1 ZINC000827609976 601861389 /nfs/dbraw/zinc/86/13/89/601861389.db2.gz YWJUKMTWGZUZEJ-JTQLQIEISA-N -1 0 355.325 2.211 20 30 FEEDRM C=CCN1C(=O)N=NC1S[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000825710877 601863005 /nfs/dbraw/zinc/86/30/05/601863005.db2.gz FPEKFAVUJSECHD-SNVBAGLBSA-N -1 0 362.411 2.296 20 30 FEEDRM CC(C)CCN(CCC#N)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000826849059 601876710 /nfs/dbraw/zinc/87/67/10/601876710.db2.gz QNLNDLZNAKDEDV-UHFFFAOYSA-N -1 0 372.425 2.373 20 30 FEEDRM C=CCn1c(-c2ccncc2)nn(CN2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000825705348 601895661 /nfs/dbraw/zinc/89/56/61/601895661.db2.gz CUMKYBSYDYWWNF-KRWDZBQOSA-N -1 0 359.455 2.416 20 30 FEEDRM COCc1cccc(CNC(=O)CON=Cc2ccc(C(=O)[O-])cc2)c1 ZINC000831817723 601896046 /nfs/dbraw/zinc/89/60/46/601896046.db2.gz SZRFSGTWWUGWME-UHFFFAOYSA-N -1 0 356.378 2.198 20 30 FEEDRM CSCC[C@H](NC(=O)[O-])C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000740013435 601953300 /nfs/dbraw/zinc/95/33/00/601953300.db2.gz ZKWWAADYDYCSBA-QMMMGPOBSA-N -1 0 360.486 2.395 20 30 FEEDRM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738613506 601972264 /nfs/dbraw/zinc/97/22/64/601972264.db2.gz KJEXLUZGRFJYRK-WBVHZDCISA-N -1 0 358.442 2.396 20 30 FEEDRM COc1ccc([C@@H]2NC(=O)N(CC3CC3)C(C(=O)[O-])=C2C(C)=O)s1 ZINC000832273687 601992531 /nfs/dbraw/zinc/99/25/31/601992531.db2.gz SXRADGROCLKMOA-ZDUSSCGKSA-N -1 0 350.396 2.161 20 30 FEEDRM C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738490646 602091190 /nfs/dbraw/zinc/09/11/90/602091190.db2.gz WMYWFBAXTDEMKG-UHFFFAOYSA-N -1 0 368.393 2.367 20 30 FEEDRM C=CC1CCN(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000825660079 602214840 /nfs/dbraw/zinc/21/48/40/602214840.db2.gz QXZUZONUNJIQEL-UHFFFAOYSA-N -1 0 352.412 2.218 20 30 FEEDRM CN(C[C@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1)C(=O)[O-] ZINC000739636576 602227044 /nfs/dbraw/zinc/22/70/44/602227044.db2.gz DADVSEXEQVDPKA-OAHLLOKOSA-N -1 0 360.414 2.120 20 30 FEEDRM Cc1oc(NC(=O)[C@H](C)N2CCC(CN(C)C(=O)[O-])CC2)c(C#N)c1C ZINC000740275105 602384692 /nfs/dbraw/zinc/38/46/92/602384692.db2.gz YJNRBBUNTRILOK-LBPRGKRZSA-N -1 0 362.430 2.417 20 30 FEEDRM Cc1oc(NC(=O)[C@@H](C)N2CCC(CN(C)C(=O)[O-])CC2)c(C#N)c1C ZINC000740275104 602384897 /nfs/dbraw/zinc/38/48/97/602384897.db2.gz YJNRBBUNTRILOK-GFCCVEGCSA-N -1 0 362.430 2.417 20 30 FEEDRM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000833005241 602399921 /nfs/dbraw/zinc/39/99/21/602399921.db2.gz SNINNDFREWRTSB-UHFFFAOYSA-N -1 0 369.425 2.006 20 30 FEEDRM N#CCCn1ncc2c1ncnc2N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000740308153 602483582 /nfs/dbraw/zinc/48/35/82/602483582.db2.gz FOPNAAGKRGEASZ-HNNXBMFYSA-N -1 0 369.429 2.099 20 30 FEEDRM COc1cccc([C@@H](C#N)NC(=O)CC2CCN(C(=O)[O-])CC2)c1OC ZINC000739946921 602520286 /nfs/dbraw/zinc/52/02/86/602520286.db2.gz YZPJIZURMDBGQG-CQSZACIVSA-N -1 0 361.398 2.165 20 30 FEEDRM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738632293 602535402 /nfs/dbraw/zinc/53/54/02/602535402.db2.gz RUPZCXKTSCUHJN-RYUDHWBXSA-N -1 0 364.833 2.470 20 30 FEEDRM N#Cc1cccc(OC2CCN(C(=O)NCCN(C(=O)[O-])C3CC3)CC2)c1 ZINC000740324191 602563003 /nfs/dbraw/zinc/56/30/03/602563003.db2.gz YBPPXIFJKFAWHW-UHFFFAOYSA-N -1 0 372.425 2.253 20 30 FEEDRM N#Cc1cccc(OC2CCN(C(=O)NC[C@@H]3CCCN3C(=O)[O-])CC2)c1 ZINC000740322337 602603939 /nfs/dbraw/zinc/60/39/39/602603939.db2.gz ACGHIAVZGFCFGK-HNNXBMFYSA-N -1 0 372.425 2.253 20 30 FEEDRM C[C@H](CNC(=O)[O-])N(C)C(=O)NCCSCc1ccccc1C#N ZINC000738926645 602612542 /nfs/dbraw/zinc/61/25/42/602612542.db2.gz LLNSEKSIKPUVPB-GFCCVEGCSA-N -1 0 350.444 2.089 20 30 FEEDRM N#Cc1cccc(NC(=O)COC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[O-])c1 ZINC000740322873 602655892 /nfs/dbraw/zinc/65/58/92/602655892.db2.gz JEZCLLZOXUHPDR-BMFZPTHFSA-N -1 0 371.393 2.351 20 30 FEEDRM Cc1nc(SCC(=O)N2CCN(C(=O)[O-])C[C@H]2C)c(C#N)c(C)c1C ZINC000740220545 602714713 /nfs/dbraw/zinc/71/47/13/602714713.db2.gz PZBRAMOSWLLCRT-SNVBAGLBSA-N -1 0 362.455 2.181 20 30 FEEDRM C=CCOc1ccc(/C=C\C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)cc1OC ZINC000738505063 602718127 /nfs/dbraw/zinc/71/81/27/602718127.db2.gz GYPNKJHPKLMFMI-QPBFKRLHSA-N -1 0 360.410 2.484 20 30 FEEDRM C[C@@H]1CN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC[C@@H]1NC(=O)[O-] ZINC000739179503 602773830 /nfs/dbraw/zinc/77/38/30/602773830.db2.gz WICYQYAFCNKFBU-AGIUHOORSA-N -1 0 372.450 2.451 20 30 FEEDRM N#Cc1cccc(OC2CCN(C(=O)C[C@@H]3CCCN3C(=O)[O-])CC2)c1 ZINC000831152950 602860413 /nfs/dbraw/zinc/86/04/13/602860413.db2.gz SVYKGTQOQDXXST-HNNXBMFYSA-N -1 0 357.410 2.461 20 30 FEEDRM N#Cc1cc(S(=O)(=O)N[C@H]2CCCCN(C(=O)[O-])C2)ccc1Cl ZINC000740313667 602867637 /nfs/dbraw/zinc/86/76/37/602867637.db2.gz PPLWMMRUGCOCNB-NSHDSACASA-N -1 0 357.819 2.022 20 30 FEEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H](c3ccnn3C)C2)cc1C#N ZINC000558729458 674513451 /nfs/dbraw/zinc/51/34/51/674513451.db2.gz GBDFDXXVKOTRMK-LLVKDONJSA-N -1 0 357.439 2.134 20 30 FEEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740129989 602885158 /nfs/dbraw/zinc/88/51/58/602885158.db2.gz IUPOIYJHIQPVMP-CABCVRRESA-N -1 0 373.409 2.173 20 30 FEEDRM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739543039 602959043 /nfs/dbraw/zinc/95/90/43/602959043.db2.gz VEGHNWPWYHWWDR-CABCVRRESA-N -1 0 357.410 2.459 20 30 FEEDRM N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])CC2)cc1 ZINC000740312725 603016027 /nfs/dbraw/zinc/01/60/27/603016027.db2.gz KXNZBEQREQULQH-QZTJIDSGSA-N -1 0 370.453 2.029 20 30 FEEDRM COc1cc(C#N)ccc1OCC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739853396 603025539 /nfs/dbraw/zinc/02/55/39/603025539.db2.gz SUSRVJLMNFBQGC-HNNXBMFYSA-N -1 0 369.377 2.071 20 30 FEEDRM Cc1nc(SCC(=O)N[C@@H](CNC(=O)[O-])C2CC2)c(C#N)c(C)c1C ZINC000740218450 603061518 /nfs/dbraw/zinc/06/15/18/603061518.db2.gz CQFOWEHZHHQFLV-AWEZNQCLSA-N -1 0 362.455 2.133 20 30 FEEDRM COCCN(CC(=O)N1CCCSC1=Nc1ccccc1)C(=O)[O-] ZINC000739815668 603085624 /nfs/dbraw/zinc/08/56/24/603085624.db2.gz GEBAUGVFMSHXTG-UHFFFAOYSA-N -1 0 351.428 2.266 20 30 FEEDRM N#Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])ccc1Cl ZINC000831118233 603138946 /nfs/dbraw/zinc/13/89/46/603138946.db2.gz QXCZIZFHZSRXJN-IINYFYTJSA-N -1 0 371.846 2.316 20 30 FEEDRM COCCN(CC(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C(=O)[O-] ZINC000739813761 603171350 /nfs/dbraw/zinc/17/13/50/603171350.db2.gz OFYJUGGTGHZJCD-JTQLQIEISA-N -1 0 351.359 2.238 20 30 FEEDRM COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739978411 603356010 /nfs/dbraw/zinc/35/60/10/603356010.db2.gz UMVPYPXGZFSJDD-CABCVRRESA-N -1 0 374.441 2.014 20 30 FEEDRM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000738638734 603363371 /nfs/dbraw/zinc/36/33/71/603363371.db2.gz PDBFJNWAEHWBAK-QWRGUYRKSA-N -1 0 362.455 2.120 20 30 FEEDRM CCN(CC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1)C(=O)[O-] ZINC000827089304 603539220 /nfs/dbraw/zinc/53/92/20/603539220.db2.gz IMDGIMNKFWMQFS-GOSISDBHSA-N -1 0 370.453 2.375 20 30 FEEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Br)ccc1Cl ZINC000831087892 603600916 /nfs/dbraw/zinc/60/09/16/603600916.db2.gz TVAQCXAFCIGNDS-VIFPVBQESA-N -1 0 372.606 2.430 20 30 FEEDRM CCC[C@](C)(NC(=O)[O-])C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000826720601 603612180 /nfs/dbraw/zinc/61/21/80/603612180.db2.gz KCSGGTBBUMRXDJ-ZBEGNZNMSA-N -1 0 365.411 2.095 20 30 FEEDRM COC(=O)[C@@H](OC(=O)c1ccc(CNC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000828612874 603612229 /nfs/dbraw/zinc/61/22/29/603612229.db2.gz RZAZCCSAFVCMSK-INIZCTEOSA-N -1 0 368.345 2.397 20 30 FEEDRM CC(C)(CCC(=O)O[C@H]1CCN(c2sccc2C#N)C1=O)NC(=O)[O-] ZINC000823890170 603613881 /nfs/dbraw/zinc/61/38/81/603613881.db2.gz MFDCSDBYLIKCAP-NSHDSACASA-N -1 0 365.411 2.095 20 30 FEEDRM C=CCn1c(Cc2ccccc2)nnc1S[C@H]1CN(C(=O)[O-])CCC1=O ZINC000823521307 603682134 /nfs/dbraw/zinc/68/21/34/603682134.db2.gz ALCHZGWYDWOLDN-HNNXBMFYSA-N -1 0 372.450 2.468 20 30 FEEDRM N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1 ZINC000831156928 603692065 /nfs/dbraw/zinc/69/20/65/603692065.db2.gz NCIBSWCRAYIOHO-HOCLYGCPSA-N -1 0 367.361 2.402 20 30 FEEDRM C[C@H](NC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc(C#N)c1 ZINC000825063660 603738908 /nfs/dbraw/zinc/73/89/08/603738908.db2.gz AXZOHOKRVWIOEK-LBPRGKRZSA-N -1 0 366.377 2.142 20 30 FEEDRM N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])c2)cc1 ZINC000831141738 603752753 /nfs/dbraw/zinc/75/27/53/603752753.db2.gz MJNLWADZIABWDN-RHSMWYFYSA-N -1 0 367.361 2.402 20 30 FEEDRM CCCC[C@H](CNC(=O)[O-])NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000826780656 603911190 /nfs/dbraw/zinc/91/11/90/603911190.db2.gz ISMCBIPJWXANPT-GFCCVEGCSA-N -1 0 366.805 2.093 20 30 FEEDRM CCCC[C@@H](CNC(=O)[O-])NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000826782131 603914290 /nfs/dbraw/zinc/91/42/90/603914290.db2.gz WTIJTNHFHFCUGU-NSHDSACASA-N -1 0 366.805 2.093 20 30 FEEDRM N#Cc1cccc(NC(=O)COC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)c1 ZINC000831152833 603923544 /nfs/dbraw/zinc/92/35/44/603923544.db2.gz OCQCULIACROOAJ-INIZCTEOSA-N -1 0 367.361 2.091 20 30 FEEDRM N#Cc1cccnc1NCCNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-] ZINC000831157358 603965114 /nfs/dbraw/zinc/96/51/14/603965114.db2.gz WJZGYKRXTOMNFA-HUUCEWRRSA-N -1 0 359.430 2.088 20 30 FEEDRM CCCOc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc1OCC ZINC000826935697 604074191 /nfs/dbraw/zinc/07/41/91/604074191.db2.gz SDXOLSPORIQCNR-CQSZACIVSA-N -1 0 361.398 2.202 20 30 FEEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)COc1c(Cl)cccc1Cl ZINC000831081933 604084044 /nfs/dbraw/zinc/08/40/44/604084044.db2.gz DQXUOURLEQMLLQ-SECBINFHSA-N -1 0 358.181 2.087 20 30 FEEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)COc1ccccc1-c1ccccc1 ZINC000831081965 604084150 /nfs/dbraw/zinc/08/41/50/604084150.db2.gz FEKXJQIZGKZSOJ-INIZCTEOSA-N -1 0 365.389 2.447 20 30 FEEDRM C[C@@]1(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)CCN(C(=O)[O-])C1 ZINC000825685091 604109587 /nfs/dbraw/zinc/10/95/87/604109587.db2.gz QRZAELYLPNSKGX-MRXNPFEDSA-N -1 0 365.773 2.083 20 30 FEEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Cl)ccc1OC(F)F ZINC000831087354 604156333 /nfs/dbraw/zinc/15/63/33/604156333.db2.gz KKAVPCXJIBVOBU-VIFPVBQESA-N -1 0 359.716 2.269 20 30 FEEDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000825251668 604220502 /nfs/dbraw/zinc/22/05/02/604220502.db2.gz ABAZWCMFAHOOPZ-YUTCNCBUSA-N -1 0 362.455 2.093 20 30 FEEDRM N#C[C@@H](C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])C(=O)NC1CCCC1 ZINC000831066835 604225912 /nfs/dbraw/zinc/22/59/12/604225912.db2.gz ZVOQDWGPIFDBLT-HOTGVXAUSA-N -1 0 357.410 2.023 20 30 FEEDRM CC(C)[C@H](CCN(C)S(=O)(=O)c1ccc(C#N)cc1F)NC(=O)[O-] ZINC000824105076 604237308 /nfs/dbraw/zinc/23/73/08/604237308.db2.gz NDRZRSUVURNNHA-ZDUSSCGKSA-N -1 0 357.407 2.000 20 30 FEEDRM CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000827460194 604253099 /nfs/dbraw/zinc/25/30/99/604253099.db2.gz OPLPVBJOUNTGSF-GFCCVEGCSA-N -1 0 359.382 2.313 20 30 FEEDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000825227878 604266184 /nfs/dbraw/zinc/26/61/84/604266184.db2.gz GGIZSGGNYHZMKR-HIFRSBDPSA-N -1 0 360.414 2.015 20 30 FEEDRM C[C@H](NC(=O)[O-])c1ccc(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000825398301 604303966 /nfs/dbraw/zinc/30/39/66/604303966.db2.gz VSHBTATXOACMDQ-YVEFUNNKSA-N -1 0 352.394 2.203 20 30 FEEDRM C[C@@H](NC(=O)[O-])c1ccc(CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000825402256 604334876 /nfs/dbraw/zinc/33/48/76/604334876.db2.gz JGQPFPZWKRKXBQ-GFCCVEGCSA-N -1 0 359.407 2.365 20 30 FEEDRM Cc1nc(N2CCOCC2)ccc1N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833001573 604400827 /nfs/dbraw/zinc/40/08/27/604400827.db2.gz JDMRUNAVLVOPEQ-SFHVURJKSA-N -1 0 352.394 2.336 20 30 FEEDRM N#CCCN(C(=O)CCC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000833065698 604560689 /nfs/dbraw/zinc/56/06/89/604560689.db2.gz KLEOBHCSOUEQQX-INIZCTEOSA-N -1 0 357.410 2.179 20 30 FEEDRM Cc1nn(C)c2ncc(C(=O)OCc3cccc(C(=O)[O-])c3C#N)cc12 ZINC000833756615 604581450 /nfs/dbraw/zinc/58/14/50/604581450.db2.gz MYNSMVQWMPHPQB-UHFFFAOYSA-N -1 0 350.334 2.204 20 30 FEEDRM CCc1noc([C@@H](C)N2CCN(Cc3cccc(C(=O)[O-])c3C#N)CC2)n1 ZINC000833678209 604607412 /nfs/dbraw/zinc/60/74/12/604607412.db2.gz BELJUNBZNJKJAB-CYBMUJFWSA-N -1 0 369.425 2.081 20 30 FEEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000763369150 604668532 /nfs/dbraw/zinc/66/85/32/604668532.db2.gz QTSSQWDGCQJFDY-UHFFFAOYSA-N -1 0 374.422 2.156 20 30 FEEDRM N#CCCN(C(=O)COC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833760336 604731931 /nfs/dbraw/zinc/73/19/31/604731931.db2.gz OAQNLGYAGGXFJZ-UHFFFAOYSA-N -1 0 366.373 2.417 20 30 FEEDRM N#CC1(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CCOCC1 ZINC000833064550 604788663 /nfs/dbraw/zinc/78/86/63/604788663.db2.gz KOISGGLSPMRCKF-UHFFFAOYSA-N -1 0 357.410 2.108 20 30 FEEDRM C=CCc1ccc(OCC(=O)NC2(C(=O)[O-])CCSCC2)c(OC)c1 ZINC000262076048 604839293 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354.403 2.255 20 30 FEEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2O)c1 ZINC000442843898 673222507 /nfs/dbraw/zinc/22/25/07/673222507.db2.gz KPGDXUFNZBGDHS-UHFFFAOYSA-N -1 0 362.407 2.117 20 30 FEEDRM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)s2)cc1 ZINC000730996721 673297833 /nfs/dbraw/zinc/29/78/33/673297833.db2.gz ZIYQSOQAPDHCBD-UHFFFAOYSA-N -1 0 351.405 2.348 20 30 FEEDRM C#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000733287768 673407496 /nfs/dbraw/zinc/40/74/96/673407496.db2.gz PXTZJLVSQRLUFA-UHFFFAOYSA-N -1 0 358.419 2.249 20 30 FEEDRM COc1ccc(/C=C/C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000734292240 673459128 /nfs/dbraw/zinc/45/91/28/673459128.db2.gz HHOXDXXZJWILKC-JXMROGBWSA-N -1 0 356.403 2.394 20 30 FEEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000734290970 673459179 /nfs/dbraw/zinc/45/91/79/673459179.db2.gz CLJQGIQXHXUALH-UHFFFAOYSA-N -1 0 359.363 2.202 20 30 FEEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CCC(=O)c1cccs1 ZINC000734293048 673459514 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CC1(C)CC[C@](NS(=O)(=O)CC2(C#N)CC2)(C(=O)[O-])c2ccccc21 ZINC000543785191 673670215 /nfs/dbraw/zinc/67/02/15/673670215.db2.gz HZCBJOPOSYGPGB-GOSISDBHSA-N -1 0 362.451 2.261 20 30 FEEDRM Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000614352003 676170529 /nfs/dbraw/zinc/17/05/29/676170529.db2.gz WNLVWVFIYKTNKJ-MRXNPFEDSA-N -1 0 358.419 2.089 20 30 FEEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)nc2)cccc1N1CCOC1=O ZINC000743267531 673754394 /nfs/dbraw/zinc/75/43/94/673754394.db2.gz CPYNSZXASUGLNP-UHFFFAOYSA-N -1 0 358.379 2.019 20 30 FEEDRM O=C([O-])COc1ccc(CN=Nc2ncccn2)cc1Br ZINC000743435820 673759532 /nfs/dbraw/zinc/75/95/32/673759532.db2.gz ODXVLCWBFZMXOT-UHFFFAOYSA-N -1 0 351.160 2.149 20 30 FEEDRM Cc1nnc(C)n1N=Cc1ccc(OCC(=O)[O-])c(Br)c1 ZINC000743430640 673759542 /nfs/dbraw/zinc/75/95/42/673759542.db2.gz KBHDCGAPRQEOQR-UHFFFAOYSA-N -1 0 353.176 2.003 20 30 FEEDRM O=C([O-])COc1ccccc1C=NN1C(=S)N=NC1[C@H]1CCCCO1 ZINC000743451683 673760139 /nfs/dbraw/zinc/76/01/39/673760139.db2.gz 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Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000738869347 600921778 /nfs/dbraw/zinc/92/17/78/600921778.db2.gz JTPQEAYBIRJVCF-AWEZNQCLSA-N -1 0 371.441 2.014 20 30 FEEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(CCC#N)CC(F)(F)F ZINC000832851804 600990201 /nfs/dbraw/zinc/99/02/01/600990201.db2.gz HFJNCEJUHXENFL-UHFFFAOYSA-N -1 0 350.318 2.160 20 30 FEEDRM C=CCN(CCOc1ccc(C(=O)[O-])cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000566358083 601005746 /nfs/dbraw/zinc/00/57/46/601005746.db2.gz DALQOYYPFWHUMP-ZDUSSCGKSA-N -1 0 373.858 2.092 20 30 FEEDRM Cc1cc(C(=O)N(CC#N)CC(=O)[O-])c2cc(Br)ccc2n1 ZINC000738320469 601019890 /nfs/dbraw/zinc/01/98/90/601019890.db2.gz UDGAHDBSRNEOHJ-UHFFFAOYSA-N -1 0 362.183 2.356 20 30 FEEDRM N#CC1(C(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CCCCC1 ZINC000833064583 601069037 /nfs/dbraw/zinc/06/90/37/601069037.db2.gz LHMFGPVHQOCOAT-GFCCVEGCSA-N -1 0 361.423 2.142 20 30 FEEDRM N#Cc1ccc(-c2nnc(COC(=O)c3cccc(C(=O)[O-])n3)o2)cc1 ZINC000833070616 601111115 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602109113 /nfs/dbraw/zinc/10/91/13/602109113.db2.gz OTHADOGFYXLWOM-UHFFFAOYSA-N -1 0 354.370 2.025 20 30 FEEDRM Cc1c(C(=O)OCc2ccc(C#N)cc2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740044023 602129309 /nfs/dbraw/zinc/12/93/09/602129309.db2.gz SAHRXJDXFLJXSI-UHFFFAOYSA-N -1 0 369.381 2.130 20 30 FEEDRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000739235985 602148420 /nfs/dbraw/zinc/14/84/20/602148420.db2.gz POSNKPTWAGBOGW-BLLLJJGKSA-N -1 0 362.405 2.028 20 30 FEEDRM N#Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)[O-])Cc3ccccc32)cc1 ZINC000740319140 602255641 /nfs/dbraw/zinc/25/56/41/602255641.db2.gz LJKLIEFWSCSTCM-KRWDZBQOSA-N -1 0 367.405 2.298 20 30 FEEDRM COC(=O)c1ccc(/C=C2\COC/C(=C\c3ccc(C(=O)[O-])o3)C2=O)o1 ZINC000831378970 602389083 /nfs/dbraw/zinc/38/90/83/602389083.db2.gz JOACQGUYGCETON-JMQWPVDRSA-N -1 0 358.302 2.424 20 30 FEEDRM N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)o1 ZINC000740323064 602475602 /nfs/dbraw/zinc/47/56/02/602475602.db2.gz HGWJPWOBOULQGO-CYBMUJFWSA-N -1 0 355.350 2.212 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)cc1 ZINC000740321339 602491105 /nfs/dbraw/zinc/49/11/05/602491105.db2.gz HUABIYWIUWKOEE-UHFFFAOYSA-N -1 0 357.391 2.395 20 30 FEEDRM N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H](CNC(=O)[O-])C3)cc2)nc1 ZINC000740322000 602495478 /nfs/dbraw/zinc/49/54/78/602495478.db2.gz XKEPAXARSMQIBX-CQSZACIVSA-N -1 0 366.377 2.475 20 30 FEEDRM CC(C)C[C@H](CNC(=O)[O-])NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000738805500 602566537 /nfs/dbraw/zinc/56/65/37/602566537.db2.gz AUZRGIQDAIEYGQ-LLVKDONJSA-N -1 0 359.835 2.172 20 30 FEEDRM O=C([O-])N1CC(N=Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000740488108 602641560 /nfs/dbraw/zinc/64/15/60/602641560.db2.gz CKRNWQXAAZCZJD-UHFFFAOYSA-N -1 0 363.208 2.283 20 30 FEEDRM C=CCNC(=O)c1ccc(NC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000738495975 602722382 /nfs/dbraw/zinc/72/23/82/602722382.db2.gz SJNJEWIPFBFVGP-ZDUSSCGKSA-N -1 0 360.414 2.114 20 30 FEEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740129991 602885115 /nfs/dbraw/zinc/88/51/15/602885115.db2.gz IUPOIYJHIQPVMP-HUUCEWRRSA-N -1 0 373.409 2.173 20 30 FEEDRM N#Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)[O-])cc2O)cc1 ZINC000740318377 602885316 /nfs/dbraw/zinc/88/53/16/602885316.db2.gz YNMZFLOCPIMNKX-UHFFFAOYSA-N -1 0 355.306 2.149 20 30 FEEDRM N#CC(=C([O-])c1cn([C@@H]2CCOC2)nn1)c1cc(C(F)(F)F)ccn1 ZINC000558672137 674510083 /nfs/dbraw/zinc/51/00/83/674510083.db2.gz ZMPQRMMXAMYUID-GHMZBOCLSA-N -1 0 351.288 2.143 20 30 FEEDRM CCN(CCC#N)C(=O)COC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739413718 602907330 /nfs/dbraw/zinc/90/73/30/602907330.db2.gz BHDURBRAGFTEOQ-UHFFFAOYSA-N -1 0 353.762 2.349 20 30 FEEDRM N#CCc1ccc(NC(=O)COC(=O)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740311582 602935290 /nfs/dbraw/zinc/93/52/90/602935290.db2.gz VYVUJEPSUKYFKE-KRWDZBQOSA-N -1 0 367.361 2.243 20 30 FEEDRM C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)cc1 ZINC000738495428 602946708 /nfs/dbraw/zinc/94/67/08/602946708.db2.gz MFOPEMSPVNMXOY-CHWSQXEVSA-N -1 0 360.414 2.207 20 30 FEEDRM N#Cc1cnc2ccccc2c1OCCOC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000740322200 602962094 /nfs/dbraw/zinc/96/20/94/602962094.db2.gz SIMHMLVEEUUCIC-LBPRGKRZSA-N -1 0 355.350 2.028 20 30 FEEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCCN2C(=O)[O-])c1 ZINC000739208973 603037722 /nfs/dbraw/zinc/03/77/22/603037722.db2.gz NWHYQVZCKYSCQU-CABCVRRESA-N -1 0 360.414 2.309 20 30 FEEDRM N#C[C@H]1CN(C(=O)C2(NC(=O)[O-])CCCCC2)CCN1Cc1ccccc1 ZINC000740309508 603104968 /nfs/dbraw/zinc/10/49/68/603104968.db2.gz KHUMZEWLXVRTRG-KRWDZBQOSA-N -1 0 370.453 2.193 20 30 FEEDRM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000739285948 603134103 /nfs/dbraw/zinc/13/41/03/603134103.db2.gz NNFJZGAFXZVXSQ-LPHOPBHVSA-N -1 0 358.442 2.049 20 30 FEEDRM N#CCCn1ncc2c1ncnc2NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000831097675 603201647 /nfs/dbraw/zinc/20/16/47/603201647.db2.gz QBEZMZXOYAYDJH-CQSZACIVSA-N -1 0 351.370 2.161 20 30 FEEDRM N#Cc1ccc(CNC(=O)CNc2cccc3c2CCN(C(=O)[O-])C3)cc1 ZINC000740313826 603234556 /nfs/dbraw/zinc/23/45/56/603234556.db2.gz ZDLFOPIZPVBACG-UHFFFAOYSA-N -1 0 364.405 2.323 20 30 FEEDRM Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740106106 603237895 /nfs/dbraw/zinc/23/78/95/603237895.db2.gz OKIFRXURYMOUEN-GXTWGEPZSA-N -1 0 351.428 2.066 20 30 FEEDRM CCCN([C@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000739352167 603238494 /nfs/dbraw/zinc/23/84/94/603238494.db2.gz UUILQSZCVGZJLU-AWEZNQCLSA-N -1 0 351.428 2.020 20 30 FEEDRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000739970634 603426305 /nfs/dbraw/zinc/42/63/05/603426305.db2.gz XBPDHBNVTDWIDN-MRXNPFEDSA-N -1 0 350.334 2.386 20 30 FEEDRM N#Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)[O-])CC3)cn2)s1 ZINC000831122772 603440934 /nfs/dbraw/zinc/44/09/34/603440934.db2.gz RBPDMDJZLKQRCN-UHFFFAOYSA-N -1 0 357.395 2.067 20 30 FEEDRM Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000830791810 603590591 /nfs/dbraw/zinc/59/05/91/603590591.db2.gz BQLUTTWTOBNTTA-AWEZNQCLSA-N -1 0 352.394 2.109 20 30 FEEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)[C@H]1CCCN1C(=O)[O-] ZINC000829820957 603595048 /nfs/dbraw/zinc/59/50/48/603595048.db2.gz LKCOPZJLXXFUJM-IUODEOHRSA-N -1 0 361.398 2.282 20 30 FEEDRM CC(C)(CCC(=O)NC1CCN(c2ccccc2C#N)CC1)NC(=O)[O-] ZINC000823889707 603603360 /nfs/dbraw/zinc/60/33/60/603603360.db2.gz CZDXYYQILUBYOY-UHFFFAOYSA-N -1 0 358.442 2.470 20 30 FEEDRM CCC[C@](C)(NC(=O)[O-])C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000826720599 603612163 /nfs/dbraw/zinc/61/21/63/603612163.db2.gz KCSGGTBBUMRXDJ-BZNIZROVSA-N -1 0 365.411 2.095 20 30 FEEDRM CC(C)(CCC(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O)NC(=O)[O-] ZINC000823890169 603613683 /nfs/dbraw/zinc/61/36/83/603613683.db2.gz MFDCSDBYLIKCAP-LLVKDONJSA-N -1 0 365.411 2.095 20 30 FEEDRM CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)(C)CNC(=O)[O-] ZINC000828114452 603629243 /nfs/dbraw/zinc/62/92/43/603629243.db2.gz IDCGBCMHGPEWRQ-UHFFFAOYSA-N -1 0 352.822 2.376 20 30 FEEDRM N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000831156926 603692270 /nfs/dbraw/zinc/69/22/70/603692270.db2.gz NCIBSWCRAYIOHO-GDBMZVCRSA-N -1 0 367.361 2.402 20 30 FEEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])cc2)cc1 ZINC000831142119 603698706 /nfs/dbraw/zinc/69/87/06/603698706.db2.gz RTOJZWGMZFPRCA-YOEHRIQHSA-N -1 0 367.361 2.402 20 30 FEEDRM C[C@H](C#N)CNC(=O)Nc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000823648924 603763204 /nfs/dbraw/zinc/76/32/04/603763204.db2.gz ZLUUGTZQOINMDB-DOMZBBRYSA-N -1 0 374.397 2.267 20 30 FEEDRM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C(C)(C)C(C)(C)NC(=O)[O-] ZINC000825536152 603771574 /nfs/dbraw/zinc/77/15/74/603771574.db2.gz QFERPBHUDUQPDK-APPDUMDISA-N -1 0 355.435 2.045 20 30 FEEDRM N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])c2)s1 ZINC000831117799 603824736 /nfs/dbraw/zinc/82/47/36/603824736.db2.gz FFMBQEWYBZYDLT-ZFWWWQNUSA-N -1 0 371.418 2.016 20 30 FEEDRM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823506266 603845874 /nfs/dbraw/zinc/84/58/74/603845874.db2.gz FGFRYFLMOUOJGM-UONOGXRCSA-N -1 0 351.472 2.335 20 30 FEEDRM CCCC[C@H](CNC(=O)[O-])NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000826779976 603913497 /nfs/dbraw/zinc/91/34/97/603913497.db2.gz CTUNSCMEGGNDPE-GFCCVEGCSA-N -1 0 366.805 2.093 20 30 FEEDRM CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000824054655 603928462 /nfs/dbraw/zinc/92/84/62/603928462.db2.gz BITGSKHZFROVNY-GLJUWKHASA-N -1 0 367.446 2.191 20 30 FEEDRM C[C@@H](OC(=O)C[C@@H]1CCCN1C(=O)[O-])C(=O)N(CCC#N)c1ccccc1 ZINC000825580257 603930444 /nfs/dbraw/zinc/93/04/44/603930444.db2.gz SCLCSXFHKSJUGR-ZBFHGGJFSA-N -1 0 373.409 2.397 20 30 FEEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000831088137 604069923 /nfs/dbraw/zinc/06/99/23/604069923.db2.gz YIDORPMNZUWQJT-AWEZNQCLSA-N -1 0 352.350 2.202 20 30 FEEDRM CCCOc1ccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc1OCC ZINC000826935695 604074347 /nfs/dbraw/zinc/07/43/47/604074347.db2.gz SDXOLSPORIQCNR-AWEZNQCLSA-N -1 0 361.398 2.202 20 30 FEEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Oc2ccccc2)ccn1 ZINC000831087670 604074985 /nfs/dbraw/zinc/07/49/85/604074985.db2.gz PURLDEKDFLSKGX-CYBMUJFWSA-N -1 0 352.350 2.202 20 30 FEEDRM N#Cc1nnc2ccccc2c1N1CCC(OCCCNC(=O)[O-])CC1 ZINC000831161451 604163598 /nfs/dbraw/zinc/16/35/98/604163598.db2.gz AYWLNONTKLSHLP-UHFFFAOYSA-N -1 0 355.398 2.145 20 30 FEEDRM COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000829442172 604222105 /nfs/dbraw/zinc/22/21/05/604222105.db2.gz KLULRTUVHCEQJM-CYBMUJFWSA-N -1 0 357.322 2.017 20 30 FEEDRM N#Cc1ccc(-c2nnc(COC(=O)CC3(NC(=O)[O-])CCC3)o2)cc1 ZINC000831122502 604232197 /nfs/dbraw/zinc/23/21/97/604232197.db2.gz JTFSWMDPVPBODP-UHFFFAOYSA-N -1 0 356.338 2.232 20 30 FEEDRM N#Cc1cnc2ccccc2c1OCCOC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000740321967 604252070 /nfs/dbraw/zinc/25/20/70/604252070.db2.gz LNEVJTLXAUUWLJ-CQSZACIVSA-N -1 0 373.390 2.081 20 30 FEEDRM C#CCNC(=O)c1ccc(NCc2ccc([C@H](C)NC(=O)[O-])cc2)nc1 ZINC000823455471 604347023 /nfs/dbraw/zinc/34/70/23/604347023.db2.gz CSGRUIZEQUQOQB-ZDUSSCGKSA-N -1 0 352.394 2.385 20 30 FEEDRM CS(=O)(=O)c1csc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1 ZINC000833737249 604502526 /nfs/dbraw/zinc/50/25/26/604502526.db2.gz UCKAUYFTKQEADE-UHFFFAOYSA-N -1 0 365.388 2.078 20 30 FEEDRM C=C(C)[C@H](CC(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)OCC ZINC000833367660 604563120 /nfs/dbraw/zinc/56/31/20/604563120.db2.gz QEDUCOHTZWNXAG-STQMWFEESA-N -1 0 366.439 2.039 20 30 FEEDRM CC(C)CC(=O)N[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)C(C)C ZINC000833473744 604583090 /nfs/dbraw/zinc/58/30/90/604583090.db2.gz ONFQUBDMMVEQON-KRWDZBQOSA-N -1 0 360.410 2.487 20 30 FEEDRM CCc1noc([C@H](C)N2CCN(Cc3cccc(C(=O)[O-])c3C#N)CC2)n1 ZINC000833678213 604607789 /nfs/dbraw/zinc/60/77/89/604607789.db2.gz BELJUNBZNJKJAB-ZDUSSCGKSA-N -1 0 369.425 2.081 20 30 FEEDRM C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccc(C(=O)[O-])cc2F)C1=O ZINC000833573267 604672929 /nfs/dbraw/zinc/67/29/29/604672929.db2.gz HBTXBILMLLANLZ-LJQANCHMSA-N -1 0 367.336 2.363 20 30 FEEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832842750 604732852 /nfs/dbraw/zinc/73/28/52/604732852.db2.gz HPAMFQITYRWZGN-UHFFFAOYSA-N -1 0 374.422 2.321 20 30 FEEDRM N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000831102698 604806327 /nfs/dbraw/zinc/80/63/27/604806327.db2.gz RDYLFRLQCNTVJC-JQWIXIFHSA-N -1 0 350.350 2.286 20 30 FEEDRM N#Cc1ccc(N2CCN(C(=O)c3ccc(C(=O)[O-])c(F)c3)CC2)c(F)c1 ZINC000833073214 604817065 /nfs/dbraw/zinc/81/70/65/604817065.db2.gz IZTIBLWTQSUEAR-UHFFFAOYSA-N -1 0 371.343 2.497 20 30 FEEDRM Cn1ncc2c1ncnc2N=NCc1cccc2c1N(C(=O)[O-])CCC2 ZINC000831054270 604827592 /nfs/dbraw/zinc/82/75/92/604827592.db2.gz AHGSMBICGXBEGD-UHFFFAOYSA-N -1 0 351.370 2.240 20 30 FEEDRM C[C@H](NC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)[O-])c1cccc(C#N)c1 ZINC000825162459 604884716 /nfs/dbraw/zinc/88/47/16/604884716.db2.gz TUWOCFJRTKWJFN-YWPYICTPSA-N -1 0 360.414 2.422 20 30 FEEDRM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000833603388 604919772 /nfs/dbraw/zinc/91/97/72/604919772.db2.gz UIOBOMMSXMTHKS-DIODGJHASA-N -1 0 367.515 2.198 20 30 FEEDRM CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000833430061 605025394 /nfs/dbraw/zinc/02/53/94/605025394.db2.gz GUIYPGIEJUWCGA-UHFFFAOYSA-N -1 0 359.835 2.384 20 30 FEEDRM C=CCOc1cccnc1C(=O)OCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000833378229 605077206 /nfs/dbraw/zinc/07/72/06/605077206.db2.gz BGLVFIJBBDHJPP-UHFFFAOYSA-N -1 0 370.361 2.164 20 30 FEEDRM C#CCNC(=O)c1ccccc1NCc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000833365179 605178987 /nfs/dbraw/zinc/17/89/87/605178987.db2.gz CZFGRHIUEMGJGJ-UHFFFAOYSA-N -1 0 366.373 2.147 20 30 FEEDRM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833379554 605191824 /nfs/dbraw/zinc/19/18/24/605191824.db2.gz GFHXXMIVWRSNAP-UHFFFAOYSA-N -1 0 353.308 2.382 20 30 FEEDRM C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC000833376085 605230497 /nfs/dbraw/zinc/23/04/97/605230497.db2.gz SIHHHLXMYPHFBW-CQSZACIVSA-N -1 0 369.439 2.197 20 30 FEEDRM C[C@]1(NS(=O)(=O)Cc2cc(C#N)ccc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833570335 605245347 /nfs/dbraw/zinc/24/53/47/605245347.db2.gz ROIFLKQPOKIGNM-CJNGLKHVSA-N -1 0 354.403 2.150 20 30 FEEDRM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C=C1CN(C(=O)[O-])C1 ZINC000833787949 605312888 /nfs/dbraw/zinc/31/28/88/605312888.db2.gz ITZOKOPQZYQPDT-LBPRGKRZSA-N -1 0 364.423 2.114 20 30 FEEDRM C=CCSc1ccccc1NC(=O)CN1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000833378081 605388277 /nfs/dbraw/zinc/38/82/77/605388277.db2.gz IQVSDALUNFGGBC-UKRRQHHQSA-N -1 0 364.467 2.467 20 30 FEEDRM N#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[O-])c1cccc(Br)c1 ZINC000833961201 605464157 /nfs/dbraw/zinc/46/41/57/605464157.db2.gz PFUBPSWDUJEDRG-NEPJUHHUSA-N -1 0 352.188 2.272 20 30 FEEDRM N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)CC2)nc1 ZINC000833975611 605510849 /nfs/dbraw/zinc/51/08/49/605510849.db2.gz DEDUUFRGESOTAJ-JWMHWRSXSA-N -1 0 372.425 2.196 20 30 FEEDRM N#Cc1cccc(NC(=O)COC(=O)C[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000831152284 605555548 /nfs/dbraw/zinc/55/55/48/605555548.db2.gz BGVHHPLLTKRUMA-INIZCTEOSA-N -1 0 367.361 2.439 20 30 FEEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000833935631 605556718 /nfs/dbraw/zinc/55/67/18/605556718.db2.gz SRFHPZHUDXDFPZ-WCQYABFASA-N -1 0 356.382 2.369 20 30 FEEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833432930 605630815 /nfs/dbraw/zinc/63/08/15/605630815.db2.gz SFNFSUKMMYEZJI-LJQANCHMSA-N -1 0 360.410 2.305 20 30 FEEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Cl)cc(Br)c1 ZINC000833968364 605650310 /nfs/dbraw/zinc/65/03/10/605650310.db2.gz VLVRNWBFSMFPNN-LLVKDONJSA-N -1 0 372.606 2.430 20 30 FEEDRM CC1=C(C(=O)[O-])C[C@@H](CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)O1 ZINC000833578460 605677318 /nfs/dbraw/zinc/67/73/18/605677318.db2.gz IZLWQFSWUHXNID-FUHWJXTLSA-N -1 0 359.401 2.155 20 30 FEEDRM Cc1onc(CC(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)c1C#N ZINC000833935798 605695781 /nfs/dbraw/zinc/69/57/81/605695781.db2.gz JJNMEMYEACKXTP-UHFFFAOYSA-N -1 0 354.366 2.144 20 30 FEEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000833431898 605710793 /nfs/dbraw/zinc/71/07/93/605710793.db2.gz GELKBSNRPQPDTD-LIRRHRJNSA-N -1 0 360.410 2.233 20 30 FEEDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1N=Nc1ccc(-n2cccn2)nn1 ZINC000834102930 605724025 /nfs/dbraw/zinc/72/40/25/605724025.db2.gz FZJFDEVROXVRFG-TZMCWYRMSA-N -1 0 355.402 2.373 20 30 FEEDRM N#Cc1ccc(CNC(=O)COC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000739118779 605725462 /nfs/dbraw/zinc/72/54/62/605725462.db2.gz WPNRCIWNAVPRLE-UHFFFAOYSA-N -1 0 353.334 2.121 20 30 FEEDRM N#Cc1ccc(Cl)cc1NC(=O)CN(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833973574 605774578 /nfs/dbraw/zinc/77/45/78/605774578.db2.gz MQEZMFRVASUQRU-AWEZNQCLSA-N -1 0 362.817 2.367 20 30 FEEDRM C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000833805640 605805651 /nfs/dbraw/zinc/80/56/51/605805651.db2.gz FSOAUNQWNVDDCB-GFCCVEGCSA-N -1 0 357.366 2.364 20 30 FEEDRM N#Cc1ccc([C@H](O)C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)cc1 ZINC000833974762 605838014 /nfs/dbraw/zinc/83/80/14/605838014.db2.gz WNKHRJFXZCUOJF-KRWDZBQOSA-N -1 0 351.362 2.266 20 30 FEEDRM N#Cc1c(Cl)cccc1S(=O)(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833969584 605847248 /nfs/dbraw/zinc/84/72/48/605847248.db2.gz GAPDTHMFSKJFFZ-NSHDSACASA-N -1 0 369.830 2.117 20 30 FEEDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000833969479 605860717 /nfs/dbraw/zinc/86/07/17/605860717.db2.gz DVTSOXCVJHLCMN-QWRGUYRKSA-N -1 0 357.345 2.258 20 30 FEEDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H](CNC(=O)[O-])C2CC2)n1 ZINC000833969672 605882956 /nfs/dbraw/zinc/88/29/56/605882956.db2.gz HXANVKKNWNJQEV-ZDUSSCGKSA-N -1 0 372.360 2.051 20 30 FEEDRM C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000833369755 605918144 /nfs/dbraw/zinc/91/81/44/605918144.db2.gz DJXZPKAMJAPAKK-QMMMGPOBSA-N -1 0 355.188 2.167 20 30 FEEDRM 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540928780 /nfs/dbraw/zinc/92/87/80/540928780.db2.gz CBMZCVQIXBZTSJ-SMDDNHRTSA-N -1 0 373.363 2.225 20 30 FEEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000063878549 541190633 /nfs/dbraw/zinc/19/06/33/541190633.db2.gz YCCCPLFYDZWWIV-UHFFFAOYSA-N -1 0 350.421 2.071 20 30 FEEDRM COC[C@H](C#N)OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000801188785 674107971 /nfs/dbraw/zinc/10/79/71/674107971.db2.gz DDVFLYFJYYEWCC-VIFPVBQESA-N -1 0 355.272 2.292 20 30 FEEDRM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n(CCC#N)n1 ZINC000066247983 541295405 /nfs/dbraw/zinc/29/54/05/541295405.db2.gz XPNGOKPLDKESIV-UHFFFAOYSA-N -1 0 362.411 2.067 20 30 FEEDRM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC ZINC000066584260 541341572 /nfs/dbraw/zinc/34/15/72/541341572.db2.gz KXZHAEHCLWMOFK-UHFFFAOYSA-N -1 0 364.354 2.293 20 30 FEEDRM CN(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ncn1 ZINC000550793170 674110504 /nfs/dbraw/zinc/11/05/04/674110504.db2.gz JDQWUCSTAALZNS-UHFFFAOYSA-N -1 0 371.344 2.234 20 30 FEEDRM Cc1ccc(F)cc1C(=O)C(=O)N=c1ncn(Cc2ccc(C#N)cc2)[n-]1 ZINC000543786770 541661310 /nfs/dbraw/zinc/66/13/10/541661310.db2.gz IWYZGSIUBMADEV-UHFFFAOYSA-N -1 0 363.352 2.467 20 30 FEEDRM N#Cc1nc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[n-]c1C#N ZINC000076426911 542277796 /nfs/dbraw/zinc/27/77/96/542277796.db2.gz AEFOVDZVLCUHIY-UHFFFAOYSA-N -1 0 358.317 2.449 20 30 FEEDRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000802126005 674161735 /nfs/dbraw/zinc/16/17/35/674161735.db2.gz DHSBVESULSSZJE-CYBMUJFWSA-N -1 0 350.440 2.379 20 30 FEEDRM C=CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)OC)c1ccccc1 ZINC000802164381 674165739 /nfs/dbraw/zinc/16/57/39/674165739.db2.gz XKNGFIQZWQYBFQ-LZWOXQAQSA-N -1 0 367.467 2.380 20 30 FEEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2ncon2)c1 ZINC000101525838 543029327 /nfs/dbraw/zinc/02/93/27/543029327.db2.gz ATIVJTOILCDTOP-UHFFFAOYSA-N -1 0 363.377 2.485 20 30 FEEDRM N#Cc1ccc(CSCC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000551987062 674178804 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N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000740317191 602765309 /nfs/dbraw/zinc/76/53/09/602765309.db2.gz QHBWNKNGROVHPC-USXIJHARSA-N -1 0 356.426 2.080 20 30 FEEDRM N#Cc1ccc([C@H](Nc2ccc3c(c2)CN(C(=O)[O-])CC3)C(N)=O)cc1 ZINC000740313870 602789343 /nfs/dbraw/zinc/78/93/43/602789343.db2.gz ZZVLFNQVBYALCV-KRWDZBQOSA-N -1 0 350.378 2.233 20 30 FEEDRM N#CCOc1ccc(CNC(=O)[C@H](CNC(=O)[O-])c2ccccc2)cc1 ZINC000831102623 602833679 /nfs/dbraw/zinc/83/36/79/602833679.db2.gz PGDNBXOSTKIPGG-QGZVFWFLSA-N -1 0 353.378 2.257 20 30 FEEDRM N#CCCN(C(=O)c1ccc(CNC(=O)[O-])o1)c1ccc2c(c1)OCCO2 ZINC000831097254 602844164 /nfs/dbraw/zinc/84/41/64/602844164.db2.gz GNRVSBUNBCUAHB-UHFFFAOYSA-N -1 0 371.349 2.379 20 30 FEEDRM CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C#N)c2)NC(=O)[O-])cc1 ZINC000828063774 603031095 /nfs/dbraw/zinc/03/10/95/603031095.db2.gz IITCWEFFVIOKED-QGZVFWFLSA-N -1 0 352.394 2.363 20 30 FEEDRM C[C@H](OC(=O)CC(C)(C)NC(=O)[O-])C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000739087159 603131031 /nfs/dbraw/zinc/13/10/31/603131031.db2.gz GHRMNRUSJOUGHJ-XYEKJYRLSA-N -1 0 367.446 2.285 20 30 FEEDRM COCCN(CC(=O)[C@H](C#N)c1nc2ccccc2n1C(F)F)C(=O)[O-] ZINC000739813781 603170386 /nfs/dbraw/zinc/17/03/86/603170386.db2.gz ORYBNGSSGQXACS-JTQLQIEISA-N -1 0 366.324 2.234 20 30 FEEDRM Cc1ccc(C#N)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740106113 603237898 /nfs/dbraw/zinc/23/78/98/603237898.db2.gz OKIFRXURYMOUEN-OCCSQVGLSA-N -1 0 351.428 2.066 20 30 FEEDRM N#C[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1cccc(Br)c1 ZINC000740303086 603295181 /nfs/dbraw/zinc/29/51/81/603295181.db2.gz GMFYZNIDRJGYPB-PWSUYJOCSA-N -1 0 352.188 2.130 20 30 FEEDRM C[C@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CCN1C(=O)[O-] ZINC000826007642 603306584 /nfs/dbraw/zinc/30/65/84/603306584.db2.gz NOXVTSUABRPCOE-VIFPVBQESA-N -1 0 354.313 2.376 20 30 FEEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738800746 603353970 /nfs/dbraw/zinc/35/39/70/603353970.db2.gz PQOYNNPZNYILGR-QRTARXTBSA-N -1 0 359.426 2.466 20 30 FEEDRM CN(Cc1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1)C(=O)[O-] ZINC000739712089 603365022 /nfs/dbraw/zinc/36/50/22/603365022.db2.gz FDZISRRXSUQCNB-INIZCTEOSA-N -1 0 357.414 2.000 20 30 FEEDRM C=CCN(Cc1ccccc1F)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000738492899 603400642 /nfs/dbraw/zinc/40/06/42/603400642.db2.gz VKNRXTPWHDENQP-HNNXBMFYSA-N -1 0 350.390 2.499 20 30 FEEDRM N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000831152517 603480205 /nfs/dbraw/zinc/48/02/05/603480205.db2.gz FZUGIQJUKSHHNT-GDBMZVCRSA-N -1 0 356.426 2.033 20 30 FEEDRM C=CCOc1ccc(/C=C\C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)cc1OC ZINC000823516912 603529290 /nfs/dbraw/zinc/52/92/90/603529290.db2.gz YGESERRPMWQSKX-LYASGUKUSA-N -1 0 360.410 2.484 20 30 FEEDRM CCC[C@@](C)(NC(=O)[O-])C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000826720598 603612239 /nfs/dbraw/zinc/61/22/39/603612239.db2.gz KCSGGTBBUMRXDJ-BDJLRTHQSA-N -1 0 365.411 2.095 20 30 FEEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000831069981 603710224 /nfs/dbraw/zinc/71/02/24/603710224.db2.gz BSLIERNCIPXIOG-KSZLIROESA-N -1 0 371.437 2.444 20 30 FEEDRM C[C@H](OC(=O)C(C)(C)C(C)(C)NC(=O)[O-])C(=O)NC1(C#N)CCCCC1 ZINC000825537257 603776116 /nfs/dbraw/zinc/77/61/16/603776116.db2.gz WNOMADRGBWGVTM-LBPRGKRZSA-N -1 0 367.446 2.333 20 30 FEEDRM N#Cc1cccc(NC(=O)COC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000831152787 603808245 /nfs/dbraw/zinc/80/82/45/603808245.db2.gz MXEPPPMOHJOJJO-VHRNVKJDSA-N -1 0 371.393 2.351 20 30 FEEDRM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(NC(=O)[O-])cc2)[C@H](C#N)C1 ZINC000823803743 604072238 /nfs/dbraw/zinc/07/22/38/604072238.db2.gz IEBMECMYEIYFRZ-CQSZACIVSA-N -1 0 374.397 2.362 20 30 FEEDRM Cn1c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)ccc1-c1ccc(F)cc1 ZINC000830969770 604074487 /nfs/dbraw/zinc/07/44/87/604074487.db2.gz YPFZTYQQDOOPLS-AWEZNQCLSA-N -1 0 356.357 2.159 20 30 FEEDRM C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000825065885 604206174 /nfs/dbraw/zinc/20/61/74/604206174.db2.gz LRKLHBSUUOGHPV-NSHDSACASA-N -1 0 352.350 2.464 20 30 FEEDRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000825205609 604245666 /nfs/dbraw/zinc/24/56/66/604245666.db2.gz YRTPWNZVPXPDTJ-QILLFSRXSA-N -1 0 370.453 2.422 20 30 FEEDRM C#Cc1cccc(NC(=O)CNC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000823474888 604312199 /nfs/dbraw/zinc/31/21/99/604312199.db2.gz RQBRWUAZUJUZSA-ZBFHGGJFSA-N -1 0 371.437 2.139 20 30 FEEDRM CC(C)(C)n1ncc2c1nc(NN=Cc1cc(C(=O)[O-])ccc1O)[nH]c2=O ZINC000826529553 604397526 /nfs/dbraw/zinc/39/75/26/604397526.db2.gz OCMNCVKZFCFJOV-UHFFFAOYSA-N -1 0 370.369 2.137 20 30 FEEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1ccc(F)cc1C(F)(F)F ZINC000825813100 604471288 /nfs/dbraw/zinc/47/12/88/604471288.db2.gz DVKHLNWTGXIADU-JTQLQIEISA-N -1 0 362.304 2.291 20 30 FEEDRM C#CCSCCNC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833368807 604491185 /nfs/dbraw/zinc/49/11/85/604491185.db2.gz UATCRZFCVAJJFV-UHFFFAOYSA-N -1 0 358.423 2.367 20 30 FEEDRM C[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])C(=O)Nc1cccc(C#N)c1 ZINC000833531399 604496949 /nfs/dbraw/zinc/49/69/49/604496949.db2.gz LIEWJPACUQGOKV-GFCCVEGCSA-N -1 0 352.346 2.369 20 30 FEEDRM C[C@H](OC(=O)Cc1ccccc1C(=O)[O-])C(=O)Nc1ccccc1C#N ZINC000833530920 604497103 /nfs/dbraw/zinc/49/71/03/604497103.db2.gz JPGIFZZEESPWMR-LBPRGKRZSA-N -1 0 352.346 2.369 20 30 FEEDRM C[C@@H](Oc1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1)C(=O)[O-] ZINC000833538570 604525460 /nfs/dbraw/zinc/52/54/60/604525460.db2.gz DFBIIOCIKZMPQF-OAHLLOKOSA-N -1 0 366.421 2.127 20 30 FEEDRM COc1ccc(C#N)cc1NCC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000832153134 604799545 /nfs/dbraw/zinc/79/95/45/604799545.db2.gz UQZMGNVLAXVHST-UHFFFAOYSA-N -1 0 354.366 2.385 20 30 FEEDRM O=C([O-])N1CCC[C@H]1C1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000831265972 604845507 /nfs/dbraw/zinc/84/55/07/604845507.db2.gz XATIFUKPZSBWJB-INIZCTEOSA-N -1 0 370.405 2.148 20 30 FEEDRM C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000539569623 604849588 /nfs/dbraw/zinc/84/95/88/604849588.db2.gz VHEHSDCWJKBAKM-PXAZEXFGSA-N -1 0 372.352 2.113 20 30 FEEDRM C#CCOc1ccc(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000776688906 604850397 /nfs/dbraw/zinc/85/03/97/604850397.db2.gz RRQKNQFFYSOAEH-KRWDZBQOSA-N -1 0 357.337 2.100 20 30 FEEDRM O=C([O-])NCCOc1cccc(NC(=O)C#Cc2ccc3c(c2)OCO3)c1 ZINC000832667022 604856522 /nfs/dbraw/zinc/85/65/22/604856522.db2.gz CPTZNGSNNGCWDY-UHFFFAOYSA-N -1 0 368.345 2.052 20 30 FEEDRM Cc1[nH]c(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)c1C(=O)[O-] ZINC000833740399 604990149 /nfs/dbraw/zinc/99/01/49/604990149.db2.gz RPRIQJQHIPZVTG-OAHLLOKOSA-N -1 0 353.378 2.415 20 30 FEEDRM N#CCCN(Cc1cccnc1)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833759978 605015977 /nfs/dbraw/zinc/01/59/77/605015977.db2.gz CMWLOTDOMCDDFU-UHFFFAOYSA-N -1 0 363.370 2.023 20 30 FEEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)c2cncc(C(=O)[O-])c2)ccc1OC ZINC000833636075 605031290 /nfs/dbraw/zinc/03/12/90/605031290.db2.gz GCYMHDZJKKWEFR-HNNXBMFYSA-N -1 0 369.377 2.399 20 30 FEEDRM C=CCC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC000833372974 605032889 /nfs/dbraw/zinc/03/28/89/605032889.db2.gz CARPHPMPLKNDSI-OAHLLOKOSA-N -1 0 355.394 2.486 20 30 FEEDRM C=CCNC(=O)c1ccccc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833376931 605087443 /nfs/dbraw/zinc/08/74/43/605087443.db2.gz WZEKGSZOZBYSLJ-UHFFFAOYSA-N -1 0 353.378 2.351 20 30 FEEDRM C=CCOc1cccnc1C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000833378517 605087696 /nfs/dbraw/zinc/08/76/96/605087696.db2.gz ILNUOZJWVNGHSC-UHFFFAOYSA-N -1 0 356.334 2.384 20 30 FEEDRM CC(C)C[C@H](NC(=O)COC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)[O-] ZINC000833480099 605223008 /nfs/dbraw/zinc/22/30/08/605223008.db2.gz GSIUJDHIDCTEEW-HNNXBMFYSA-N -1 0 358.394 2.014 20 30 FEEDRM CN(C(=O)COC(=O)Cc1ccccc1CC#N)c1ccccc1C(=O)[O-] ZINC000833686031 605223344 /nfs/dbraw/zinc/22/33/44/605223344.db2.gz QDIZYIUSZYFORN-UHFFFAOYSA-N -1 0 366.373 2.200 20 30 FEEDRM C=C(C)CN(C)C(=O)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833368687 605311204 /nfs/dbraw/zinc/31/12/04/605311204.db2.gz PRWCHRPKKWECJF-UHFFFAOYSA-N -1 0 355.188 2.120 20 30 FEEDRM CC(N=Nc1nc(-c2ccncc2)no1)c1ccccc1OCC(=O)[O-] ZINC000833386904 605330278 /nfs/dbraw/zinc/33/02/78/605330278.db2.gz BIGUZBYIANOEPI-UHFFFAOYSA-N -1 0 353.338 2.431 20 30 FEEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)C[C@H]2CSCCN2C(=O)[O-])c1 ZINC000830511097 605347415 /nfs/dbraw/zinc/34/74/15/605347415.db2.gz DTZOGORRWBECBF-UONOGXRCSA-N -1 0 361.423 2.128 20 30 FEEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000829075926 605390693 /nfs/dbraw/zinc/39/06/93/605390693.db2.gz WUDREJAUSQDELU-UHFFFAOYSA-N -1 0 366.395 2.250 20 30 FEEDRM C#CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])c1ccccc1 ZINC000833362826 605401500 /nfs/dbraw/zinc/40/15/00/605401500.db2.gz MFDFWDAMPOERNU-HNNXBMFYSA-N -1 0 374.374 2.336 20 30 FEEDRM N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000833977392 605540591 /nfs/dbraw/zinc/54/05/91/605540591.db2.gz YWBZTBOZPYQFJL-AWEZNQCLSA-N -1 0 369.377 2.460 20 30 FEEDRM CC(C)(CNC(=O)[O-])NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000823978197 605560605 /nfs/dbraw/zinc/56/06/05/605560605.db2.gz ATRZUQIKYAJULG-UHFFFAOYSA-N -1 0 357.332 2.402 20 30 FEEDRM N#CCOc1cccc(CC(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)c1 ZINC000833967738 605581941 /nfs/dbraw/zinc/58/19/41/605581941.db2.gz UFRXKWHBSHUKGV-UHFFFAOYSA-N -1 0 357.410 2.265 20 30 FEEDRM N#Cc1cccc([C@@H]2CN(C(=O)NC[C@@H]3CCCN(C(=O)[O-])C3)CCO2)c1 ZINC000833978749 605651785 /nfs/dbraw/zinc/65/17/85/605651785.db2.gz VTWADBCBYAHMLU-RDJZCZTQSA-N -1 0 372.425 2.031 20 30 FEEDRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCC1=NNS(=O)(=O)c1ccccc1 ZINC000834101894 605721000 /nfs/dbraw/zinc/72/10/00/605721000.db2.gz BOFNZUTWZUUXTK-HIFRSBDPSA-N -1 0 351.428 2.263 20 30 FEEDRM N#Cc1ccc([C@H](O)C(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)cc1 ZINC000833974814 605838066 /nfs/dbraw/zinc/83/80/66/605838066.db2.gz XQJHRLHVWFWRHB-SFHVURJKSA-N -1 0 365.389 2.339 20 30 FEEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000833969749 605843415 /nfs/dbraw/zinc/84/34/15/605843415.db2.gz FDDAIZODRRPGGM-LBPRGKRZSA-N -1 0 357.819 2.022 20 30 FEEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000833969709 605847021 /nfs/dbraw/zinc/84/70/21/605847021.db2.gz IHGPKSYLOZYGAT-UHFFFAOYSA-N -1 0 363.307 2.324 20 30 FEEDRM Cc1ccc(C#N)cc1S(=O)(=O)N1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833902162 605868350 /nfs/dbraw/zinc/86/83/50/605868350.db2.gz ULUUGULWNULLLL-UHFFFAOYSA-N -1 0 363.439 2.021 20 30 FEEDRM N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833960927 606012813 /nfs/dbraw/zinc/01/28/13/606012813.db2.gz MURAHLQGNBLYMU-SNVBAGLBSA-N -1 0 359.729 2.181 20 30 FEEDRM N#Cc1cccc(CC(=O)Nc2cnc3c(c2)C[C@@H](NC(=O)[O-])CC3)c1 ZINC000833978619 606097242 /nfs/dbraw/zinc/09/72/42/606097242.db2.gz QPMYURGHKOYVGD-HNNXBMFYSA-N -1 0 350.378 2.259 20 30 FEEDRM N#Cc1cc(F)ccc1CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000559642976 674551623 /nfs/dbraw/zinc/55/16/23/674551623.db2.gz ZYXGLPGGJMTDFS-UHFFFAOYSA-N -1 0 352.318 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373.386 2.086 20 30 FEEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C(=O)[O-])c1 ZINC000833076173 601348757 /nfs/dbraw/zinc/34/87/57/601348757.db2.gz RLFKUCWYNDGZKY-QAPCUYQASA-N -1 0 364.357 2.280 20 30 FEEDRM N#Cc1cccc([C@@H](OC(=O)Cn2ccc(=O)c3ccccc32)C(=O)[O-])c1 ZINC000833077179 601351412 /nfs/dbraw/zinc/35/14/12/601351412.db2.gz MGHOGEUNPUSRNZ-LJQANCHMSA-N -1 0 362.341 2.242 20 30 FEEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(N)c([N+](=O)[O-])c1 ZINC000832868646 601352199 /nfs/dbraw/zinc/35/21/99/601352199.db2.gz QSNUTKLMXHOOEO-HNNXBMFYSA-N -1 0 355.306 2.340 20 30 FEEDRM COc1ccc(-n2cc(CN[C@@H](C(=O)[O-])c3cccc(C#N)c3)nn2)cc1 ZINC000832138824 601494697 /nfs/dbraw/zinc/49/46/97/601494697.db2.gz QMCKPZFYZXTMOC-GOSISDBHSA-N -1 0 363.377 2.063 20 30 FEEDRM Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc(C)c1OCC(=O)[O-] ZINC000832859073 601499826 /nfs/dbraw/zinc/49/98/26/601499826.db2.gz KTRJWPBABJLGMO-AWEZNQCLSA-N -1 0 367.361 2.123 20 30 FEEDRM N#Cc1ccc(OCc2cccc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)c2)cc1 ZINC000833071379 601724061 /nfs/dbraw/zinc/72/40/61/601724061.db2.gz ISPMRMRGRNKLDI-FQEVSTJZSA-N -1 0 366.373 2.111 20 30 FEEDRM CC[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(=O)[O-] ZINC000828921683 601751968 /nfs/dbraw/zinc/75/19/68/601751968.db2.gz UHKPNXVDKSMRKX-LBPRGKRZSA-N -1 0 372.381 2.002 20 30 FEEDRM C[C@@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000828353941 601803551 /nfs/dbraw/zinc/80/35/51/601803551.db2.gz CDSFKJZSDNVMJX-RISCZKNCSA-N -1 0 354.328 2.419 20 30 FEEDRM CN=c1scc(-c2cc(C(=O)[O-])co2)n1N=Cc1c[nH]c(C(=O)OC)c1 ZINC000830968498 601829512 /nfs/dbraw/zinc/82/95/12/601829512.db2.gz FDQCZVXFKYCYST-UHFFFAOYSA-N -1 0 374.378 2.035 20 30 FEEDRM C[C@@H](NC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)c1cccc(C#N)c1 ZINC000818023282 602132269 /nfs/dbraw/zinc/13/22/69/602132269.db2.gz VESYQZOFOURTET-GFCCVEGCSA-N -1 0 351.362 2.001 20 30 FEEDRM Cc1[nH]c(C(=O)CON=Cc2cnn(-c3ccccc3)n2)c(C)c1C(=O)[O-] ZINC000832843501 602160791 /nfs/dbraw/zinc/16/07/91/602160791.db2.gz NWAPKVQJCLOIHS-UHFFFAOYSA-N -1 0 367.365 2.144 20 30 FEEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CN(C)C(=O)[O-])c1 ZINC000740066998 602206627 /nfs/dbraw/zinc/20/66/27/602206627.db2.gz OVLFIXYJLINACH-CQSZACIVSA-N -1 0 361.398 2.092 20 30 FEEDRM N#Cc1cccc(NC(=O)CN2CCN(C(=O)[O-])Cc3ccccc32)c1 ZINC000740322358 602255750 /nfs/dbraw/zinc/25/57/50/602255750.db2.gz ALXKCRGSNKVUGV-UHFFFAOYSA-N -1 0 350.378 2.497 20 30 FEEDRM N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000738431150 602259031 /nfs/dbraw/zinc/25/90/31/602259031.db2.gz QQFBEWUYOHPCAE-JTQLQIEISA-N -1 0 354.313 2.424 20 30 FEEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC(CNC(=O)[O-])CC2)cc1 ZINC000740314882 602267148 /nfs/dbraw/zinc/26/71/48/602267148.db2.gz DBDMMZCRFLPNGA-KRWDZBQOSA-N -1 0 356.426 2.033 20 30 FEEDRM N#CCSc1ccccc1NC(=O)COC(=O)c1cnccc1C(=O)[O-] ZINC000833069050 602288650 /nfs/dbraw/zinc/28/86/50/602288650.db2.gz LIPMAQUZLFSITJ-UHFFFAOYSA-N -1 0 371.374 2.191 20 30 FEEDRM CC[C@@H](C)[C@@H](NC(=O)COc1ccc(Br)cc1C#N)C(=O)[O-] ZINC000828729856 602314267 /nfs/dbraw/zinc/31/42/67/602314267.db2.gz RTOOZIDMBFJDEE-YMTOWFKASA-N -1 0 369.215 2.315 20 30 FEEDRM CCN(CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000739433012 602613767 /nfs/dbraw/zinc/61/37/67/602613767.db2.gz UUGWTRBPZDBMFC-UHFFFAOYSA-N -1 0 357.332 2.356 20 30 FEEDRM C=CCN(CC=C)C(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-] ZINC000738489238 602654523 /nfs/dbraw/zinc/65/45/23/602654523.db2.gz BHEJCZVBXUMWDO-KKUMJFAQSA-N -1 0 350.415 2.041 20 30 FEEDRM N#C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CCN1C1CC1 ZINC000740308107 602692289 /nfs/dbraw/zinc/69/22/89/602692289.db2.gz VWTYCTSFLXQGFJ-MRXNPFEDSA-N -1 0 369.425 2.321 20 30 FEEDRM CC(C)N(CCC(=O)N(CCC#N)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000738837118 602711547 /nfs/dbraw/zinc/71/15/47/602711547.db2.gz BNNIMLVCSRBVNU-UHFFFAOYSA-N -1 0 361.398 2.483 20 30 FEEDRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000739006598 602713383 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362.349 2.363 20 30 FEEDRM CC(C)C[C@](C)(CNC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1F ZINC000738808201 603084545 /nfs/dbraw/zinc/08/45/45/603084545.db2.gz RFZCHZQQXBSQRZ-OAHLLOKOSA-N -1 0 357.407 2.048 20 30 FEEDRM N#Cc1cc(S(=O)(=O)NC2CCC(NC(=O)[O-])CC2)ccc1Cl ZINC000740313065 603086590 /nfs/dbraw/zinc/08/65/90/603086590.db2.gz ILCSHSTUNFPEAZ-UHFFFAOYSA-N -1 0 357.819 2.069 20 30 FEEDRM N#C[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1ccccc1Br ZINC000740303018 603315040 /nfs/dbraw/zinc/31/50/40/603315040.db2.gz FRULRAZHYPDORD-JOYOIKCWSA-N -1 0 352.188 2.130 20 30 FEEDRM N#CCCn1ccc(NC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)n1 ZINC000831097447 603335983 /nfs/dbraw/zinc/33/59/83/603335983.db2.gz JJEUGNMNEGYJGG-AWEZNQCLSA-N -1 0 360.418 2.183 20 30 FEEDRM CCN(Cc1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1)C(=O)[O-] ZINC000739441781 603346385 /nfs/dbraw/zinc/34/63/85/603346385.db2.gz JADDYZMUXHDHEC-KRWDZBQOSA-N -1 0 371.441 2.391 20 30 FEEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000739359653 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20 30 FEEDRM N#C[C@@H]1CN(C(=O)C2(CNC(=O)[O-])CCCC2)CCN1Cc1ccccc1 ZINC000831077105 603675018 /nfs/dbraw/zinc/67/50/18/603675018.db2.gz WEOALZDYUYHCQZ-QGZVFWFLSA-N -1 0 370.453 2.051 20 30 FEEDRM C[C@@H](OC(=O)C1(CNC(=O)[O-])CCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000825543784 603755295 /nfs/dbraw/zinc/75/52/95/603755295.db2.gz HHAPCICKNRLKIF-GFCCVEGCSA-N -1 0 359.382 2.256 20 30 FEEDRM N#C[C@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccccc1Br ZINC000831070768 603796040 /nfs/dbraw/zinc/79/60/40/603796040.db2.gz RQDDHWNFWHRTKH-LBPRGKRZSA-N -1 0 352.188 2.130 20 30 FEEDRM N#Cc1ccc(OCCNC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])cc1 ZINC000831142407 603834864 /nfs/dbraw/zinc/83/48/64/603834864.db2.gz YDTILYCPYIMUOR-HOCLYGCPSA-N -1 0 360.414 2.063 20 30 FEEDRM C[C@@H](OC(=O)[C@H](NC(=O)[O-])c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000825604536 603838393 /nfs/dbraw/zinc/83/83/93/603838393.db2.gz XMRMLLCUVFBCOL-UKRRQHHQSA-N -1 0 373.409 2.270 20 30 FEEDRM Cc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1NC(=O)[O-] ZINC000830234851 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2.033 20 30 FEEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000740028250 602413978 /nfs/dbraw/zinc/41/39/78/602413978.db2.gz KYDSVQSMEAKWCF-UHFFFAOYSA-N -1 0 371.397 2.481 20 30 FEEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000738800085 602418412 /nfs/dbraw/zinc/41/84/12/602418412.db2.gz LQDZZCUWJBCMIT-WMLDXEAASA-N -1 0 359.426 2.468 20 30 FEEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000738800083 602418551 /nfs/dbraw/zinc/41/85/51/602418551.db2.gz LQDZZCUWJBCMIT-RHSMWYFYSA-N -1 0 359.426 2.468 20 30 FEEDRM CN(CC1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1)C(=O)[O-] ZINC000739647842 602421085 /nfs/dbraw/zinc/42/10/85/602421085.db2.gz BLPDYTBUHAOVMB-UHFFFAOYSA-N -1 0 360.414 2.120 20 30 FEEDRM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737563533 602532203 /nfs/dbraw/zinc/53/22/03/602532203.db2.gz QXQBZYOUKMUFOS-HNNXBMFYSA-N -1 0 358.442 2.396 20 30 FEEDRM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737738878 602535667 /nfs/dbraw/zinc/53/56/67/602535667.db2.gz JJESVAYJBMJABB-HVEKOLDVSA-N -1 0 364.490 2.380 20 30 FEEDRM N#Cc1cccc(OC2CCN(C(=O)NC[C@H]3CCCN3C(=O)[O-])CC2)c1 ZINC000740322339 602603853 /nfs/dbraw/zinc/60/38/53/602603853.db2.gz ACGHIAVZGFCFGK-OAHLLOKOSA-N -1 0 372.425 2.253 20 30 FEEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(C(=O)[O-])CC1 ZINC000736544693 602647322 /nfs/dbraw/zinc/64/73/22/602647322.db2.gz JNGIEZWZVSZPNA-CYBMUJFWSA-N -1 0 362.455 2.315 20 30 FEEDRM C[C@H](NC(=O)[O-])C1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000738999138 602755969 /nfs/dbraw/zinc/75/59/69/602755969.db2.gz NPVGFBMIHWYRMW-KSSFIOAISA-N -1 0 370.453 2.422 20 30 FEEDRM C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)CC[C@H]1NC(=O)[O-] ZINC000739181909 602766914 /nfs/dbraw/zinc/76/69/14/602766914.db2.gz UNXVWZPWKMBBDU-GXFFZTMASA-N -1 0 350.806 2.128 20 30 FEEDRM CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000824057269 602794416 /nfs/dbraw/zinc/79/44/16/602794416.db2.gz PYLXIKCALIBQDZ-SZMVWBNQSA-N -1 0 372.469 2.324 20 30 FEEDRM C[C@@H]1CN(CC(=O)Nc2ccccc2SCC#N)C[C@H](C)N1C(=O)[O-] ZINC000739177514 602828739 /nfs/dbraw/zinc/82/87/39/602828739.db2.gz GQRYYSPOOHDLTQ-BETUJISGSA-N -1 0 362.455 2.313 20 30 FEEDRM C#CC[C@]1(C(=O)[N-]OC2CCOCC2)CCCN1C(=O)OC(C)(C)C ZINC000809774536 674509372 /nfs/dbraw/zinc/50/93/72/674509372.db2.gz NLLRXOIAYWDPEN-GOSISDBHSA-N -1 0 352.431 2.006 20 30 FEEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3COCCN3C(=O)[O-])cn2)cc1 ZINC000740321330 602849130 /nfs/dbraw/zinc/84/91/30/602849130.db2.gz HDPMEDFQUFQJST-OAHLLOKOSA-N -1 0 368.349 2.063 20 30 FEEDRM COc1cccc([C@@H](C#N)NC(=O)c2ccc(CNC(=O)[O-])o2)c1OC ZINC000829536978 602862142 /nfs/dbraw/zinc/86/21/42/602862142.db2.gz BYOISSUULRYYPD-GFCCVEGCSA-N -1 0 359.338 2.059 20 30 FEEDRM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)[O-])cc1O ZINC000739043883 602883535 /nfs/dbraw/zinc/88/35/35/602883535.db2.gz RFCVNKYUOZGMLW-BMLIUANNSA-N -1 0 363.370 2.082 20 30 FEEDRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1Cl)C(=O)N(C)CCC#N ZINC000739042199 602906628 /nfs/dbraw/zinc/90/66/28/602906628.db2.gz HZYAHFKWWVKDAK-VIFPVBQESA-N -1 0 353.762 2.347 20 30 FEEDRM CSc1nc(C2CC2)cc(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)c1C#N ZINC000740020327 602926950 /nfs/dbraw/zinc/92/69/50/602926950.db2.gz KSYSYWQJSJBXPG-JTQLQIEISA-N -1 0 360.439 2.377 20 30 FEEDRM C=CCc1cc(CNC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])cc(OC)c1OC ZINC000738503052 602975302 /nfs/dbraw/zinc/97/53/02/602975302.db2.gz LXZMHFNVNDWQNF-HUUCEWRRSA-N -1 0 362.426 2.485 20 30 FEEDRM C=CCc1cc(CNC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])cc(OC)c1OC ZINC000738503051 602975498 /nfs/dbraw/zinc/97/54/98/602975498.db2.gz LXZMHFNVNDWQNF-GJZGRUSLSA-N -1 0 362.426 2.485 20 30 FEEDRM N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])CC2)cc1 ZINC000740319156 602987771 /nfs/dbraw/zinc/98/77/71/602987771.db2.gz LQQNPRPYMACTQC-IAGOWNOFSA-N -1 0 357.410 2.364 20 30 FEEDRM CN(C)c1ccc([C@@H](CNC(=O)c2sccc2C#N)NC(=O)[O-])cc1 ZINC000828063563 603027572 /nfs/dbraw/zinc/02/75/72/603027572.db2.gz GXANGGLVEMGVCE-CQSZACIVSA-N -1 0 358.423 2.424 20 30 FEEDRM COCCN(CC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(=O)[O-] ZINC000739822142 603090272 /nfs/dbraw/zinc/09/02/72/603090272.db2.gz AJQZCWKPVXACHH-UHFFFAOYSA-N -1 0 353.378 2.046 20 30 FEEDRM N#C[C@@H]1CN(C(=O)C2CCC(NC(=O)[O-])CC2)CCN1Cc1ccccc1 ZINC000740309658 603134259 /nfs/dbraw/zinc/13/42/59/603134259.db2.gz LBGNTUMDMZRWKH-DAWZGUTISA-N -1 0 370.453 2.049 20 30 FEEDRM COCCN(CC(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1)C(=O)[O-] ZINC000739813763 603171207 /nfs/dbraw/zinc/17/12/07/603171207.db2.gz OFYJUGGTGHZJCD-SNVBAGLBSA-N -1 0 351.359 2.238 20 30 FEEDRM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000831070676 603260336 /nfs/dbraw/zinc/26/03/36/603260336.db2.gz PSWFSFFZYQGNPH-IRXDYDNUSA-N -1 0 374.416 2.067 20 30 FEEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000736849249 603261782 /nfs/dbraw/zinc/26/17/82/603261782.db2.gz QLOKBGMHLURGEE-HUUCEWRRSA-N -1 0 360.414 2.309 20 30 FEEDRM Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1NC(=O)[O-] ZINC000830199518 603387149 /nfs/dbraw/zinc/38/71/49/603387149.db2.gz ZSYAFYAJXZGGSG-UHFFFAOYSA-N -1 0 365.393 2.314 20 30 FEEDRM N#Cc1ccc(CS(=O)(=O)CC(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000831126756 603481298 /nfs/dbraw/zinc/48/12/98/603481298.db2.gz QWSHNZQLBFSUOA-UHFFFAOYSA-N -1 0 374.374 2.169 20 30 FEEDRM Cc1nc(CCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)oc1-c1ccccc1 ZINC000830741883 603601700 /nfs/dbraw/zinc/60/17/00/603601700.db2.gz UMAXNZMUHJNKJM-HNNXBMFYSA-N -1 0 368.393 2.297 20 30 FEEDRM CN(C(=O)[O-])[C@H]1CCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000827853495 603615188 /nfs/dbraw/zinc/61/51/88/603615188.db2.gz UZMSXYIXJJVEEW-HNNXBMFYSA-N -1 0 362.455 2.185 20 30 FEEDRM N#Cc1cccc(-c2nnc(COC(=O)C3CCN(C(=O)[O-])CC3)o2)c1 ZINC000831145878 603631160 /nfs/dbraw/zinc/63/11/60/603631160.db2.gz DCFILZZZBGJOJS-UHFFFAOYSA-N -1 0 356.338 2.041 20 30 FEEDRM COC(=O)[C@@H](NC[C@H](NC(=O)[O-])c1ccccc1)c1ccc(C#N)cc1 ZINC000828613555 603655726 /nfs/dbraw/zinc/65/57/26/603655726.db2.gz WNYJREFSYWXESY-IRXDYDNUSA-N -1 0 353.378 2.371 20 30 FEEDRM N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1 ZINC000831156930 603691998 /nfs/dbraw/zinc/69/19/98/603691998.db2.gz NCIBSWCRAYIOHO-ZBFHGGJFSA-N -1 0 367.361 2.402 20 30 FEEDRM C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1CNC(=O)[O-] ZINC000825930559 603760548 /nfs/dbraw/zinc/76/05/48/603760548.db2.gz BCAOJSKQOJZMAS-IINYFYTJSA-N -1 0 371.846 2.268 20 30 FEEDRM N#Cc1ccc(-c2nnc(COC(=O)CC3CCN(C(=O)[O-])CC3)o2)cc1 ZINC000831122672 603785919 /nfs/dbraw/zinc/78/59/19/603785919.db2.gz ODBQDFOJJWRGLA-UHFFFAOYSA-N -1 0 370.365 2.432 20 30 FEEDRM C[C@@H](OC(=O)[C@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000825603504 603837479 /nfs/dbraw/zinc/83/74/79/603837479.db2.gz REACVXFLGNHQIV-MLGOLLRUSA-N -1 0 367.361 2.437 20 30 FEEDRM Cc1ccc(-c2cncc(C(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)c2)cc1 ZINC000830148531 603866949 /nfs/dbraw/zinc/86/69/49/603866949.db2.gz AJSXXLQPYCXGDI-QGZVFWFLSA-N -1 0 350.378 2.385 20 30 FEEDRM C[C@H](OC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)C(=O)NC1(C#N)CCCCC1 ZINC000825562193 603870555 /nfs/dbraw/zinc/87/05/55/603870555.db2.gz UFPQTBCAKHQBRF-IHRRRGAJSA-N -1 0 365.430 2.087 20 30 FEEDRM O=C([O-])N1CC[C@](F)(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)C1 ZINC000831888346 603901555 /nfs/dbraw/zinc/90/15/55/603901555.db2.gz DFIVNJSHJDCZCJ-SECBINFHSA-N -1 0 366.233 2.422 20 30 FEEDRM CN(C1CCC(NC(=O)[O-])CC1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000828081487 603917708 /nfs/dbraw/zinc/91/77/08/603917708.db2.gz UGIRJWWJEBMVQI-UHFFFAOYSA-N -1 0 373.381 2.036 20 30 FEEDRM Cc1sc(NC(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c(C#N)c1C ZINC000830956601 603967512 /nfs/dbraw/zinc/96/75/12/603967512.db2.gz IZPVMIIKXYDPKA-TVQRCGJNSA-N -1 0 350.444 2.153 20 30 FEEDRM N#Cc1ccc(-c2nnc(COC(=O)CN(CC3CC3)C(=O)[O-])o2)cc1 ZINC000831122980 603985578 /nfs/dbraw/zinc/98/55/78/603985578.db2.gz YHRVRCLAIUNPTA-UHFFFAOYSA-N -1 0 356.338 2.041 20 30 FEEDRM N#C[C@H](NC(=O)[C@]1(F)CCN(C(=O)[O-])C1)c1cccc(Br)c1 ZINC000831069959 603991744 /nfs/dbraw/zinc/99/17/44/603991744.db2.gz BCZLMWJXWWWGTL-FZMZJTMJSA-N -1 0 370.178 2.222 20 30 FEEDRM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000831126846 604039171 /nfs/dbraw/zinc/03/91/71/604039171.db2.gz UFEUJKWNPCCZCE-BXKDBHETSA-N -1 0 365.773 2.130 20 30 FEEDRM Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)ccc1NC(=O)CC(C)C ZINC000829930303 604083287 /nfs/dbraw/zinc/08/32/87/604083287.db2.gz ODJSCUYLZFXLDQ-HNNXBMFYSA-N -1 0 372.425 2.308 20 30 FEEDRM Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c(C#N)c1C ZINC000830943067 604182959 /nfs/dbraw/zinc/18/29/59/604182959.db2.gz UAMICLMLKINHFY-MBNYWOFBSA-N -1 0 362.430 2.463 20 30 FEEDRM CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])cc1 ZINC000827589201 604220963 /nfs/dbraw/zinc/22/09/63/604220963.db2.gz BXZBKXCKYABNDN-HOTGVXAUSA-N -1 0 373.409 2.055 20 30 FEEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])cc1 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CC(C)[C@H](NC(=O)[O-])C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000833467984 604549282 /nfs/dbraw/zinc/54/92/82/604549282.db2.gz KNSKQEOLUMAUBS-XUJLQICISA-N -1 0 360.414 2.052 20 30 FEEDRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000825373065 604567916 /nfs/dbraw/zinc/56/79/16/604567916.db2.gz VKJDWTIJAWICRB-GFCCVEGCSA-N -1 0 366.377 2.142 20 30 FEEDRM C[C@@H](NC(=O)[O-])[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000825346426 604634166 /nfs/dbraw/zinc/63/41/66/604634166.db2.gz XVDOETHBNUYXEX-IUODEOHRSA-N -1 0 356.344 2.414 20 30 FEEDRM C#Cc1cccc(NC(=O)CNC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)c1 ZINC000823474989 604726629 /nfs/dbraw/zinc/72/66/29/604726629.db2.gz SMSXYWWQLDXRPO-AWEZNQCLSA-N -1 0 371.437 2.139 20 30 FEEDRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC000825324496 604775472 /nfs/dbraw/zinc/77/54/72/604775472.db2.gz AZEVOERCLKSIJZ-RNCFNFMXSA-N -1 0 352.778 2.100 20 30 FEEDRM CN(C[C@H]1CCCN1C(=O)Nc1ccc(F)cc1OCC#N)C(=O)[O-] ZINC000828205321 604805673 /nfs/dbraw/zinc/80/56/73/604805673.db2.gz BRGDINVQRSKZPE-GFCCVEGCSA-N -1 0 350.350 2.334 20 30 FEEDRM N#C[C@@H](NC(=O)[C@@H]1CN(C(=O)[O-])CCO1)c1c(Cl)cccc1Cl ZINC000831070472 604844614 /nfs/dbraw/zinc/84/46/14/604844614.db2.gz LNGAFBGUCGDCSF-MNOVXSKESA-N -1 0 358.181 2.053 20 30 FEEDRM C[C@H](C(=O)N(CC#N)CC(=O)[O-])c1cccc(C(=O)c2ccccc2)c1 ZINC000833402657 604971684 /nfs/dbraw/zinc/97/16/84/604971684.db2.gz RUGXKMZNWGUKPR-AWEZNQCLSA-N -1 0 350.374 2.458 20 30 FEEDRM CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833696962 605133612 /nfs/dbraw/zinc/13/36/12/605133612.db2.gz ZKHMTKWDUFJFQP-UHFFFAOYSA-N -1 0 370.430 2.495 20 30 FEEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1ccc(-c2ccncc2)cc1F ZINC000833388430 605140621 /nfs/dbraw/zinc/14/06/21/605140621.db2.gz VIUXRXNVQCYASD-HNNXBMFYSA-N -1 0 371.393 2.334 20 30 FEEDRM N#Cc1ccc(N2CC[C@@H](OC(=O)C3(CNC(=O)[O-])CCCC3)C2=O)cc1 ZINC000831132259 605199587 /nfs/dbraw/zinc/19/95/87/605199587.db2.gz RYEXVCZNMKASLC-OAHLLOKOSA-N -1 0 371.393 2.035 20 30 FEEDRM Cc1ccc(C#N)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000548565794 605212745 /nfs/dbraw/zinc/21/27/45/605212745.db2.gz MLUQVWYEVMYGAA-UHFFFAOYSA-N -1 0 358.419 2.185 20 30 FEEDRM C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])c1 ZINC000833375486 605237384 /nfs/dbraw/zinc/23/73/84/605237384.db2.gz AGWAQJWKJPBTDY-CQSZACIVSA-N -1 0 369.439 2.197 20 30 FEEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCOC1CN(C(=O)[O-])C1 ZINC000833964129 605308888 /nfs/dbraw/zinc/30/88/88/605308888.db2.gz CRISKHAHMFCEDM-IRXDYDNUSA-N -1 0 357.410 2.054 20 30 FEEDRM N#CCCn1cc(C(=O)COC(=O)C=C2CN(C(=O)[O-])C2)c2ccccc21 ZINC000833966118 605314284 /nfs/dbraw/zinc/31/42/84/605314284.db2.gz ZOBVSUANNWLADK-UHFFFAOYSA-N -1 0 367.361 2.201 20 30 FEEDRM N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)n2)c1 ZINC000833977128 605380465 /nfs/dbraw/zinc/38/04/65/605380465.db2.gz OKRGBDJKMNICPV-KBPBESRZSA-N -1 0 353.382 2.001 20 30 FEEDRM N#Cc1c(F)cccc1N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833969354 605401764 /nfs/dbraw/zinc/40/17/64/605401764.db2.gz CSMBIGWBHVPOBU-DYVFJYSZSA-N -1 0 374.416 2.172 20 30 FEEDRM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000833374516 605445781 /nfs/dbraw/zinc/44/57/81/605445781.db2.gz NRKCPQHKQLOUEG-UHFFFAOYSA-N -1 0 365.407 2.162 20 30 FEEDRM CC(C[C@H]1CCCN1C(=O)[O-])=NNS(=O)(=O)CCc1ccccc1 ZINC000824759350 605465953 /nfs/dbraw/zinc/46/59/53/605465953.db2.gz KQDHYDSVBAWCGX-OAHLLOKOSA-N -1 0 353.444 2.057 20 30 FEEDRM N#Cc1ccc(OC2CCC(NC(=O)C[C@@H]3CCCN3C(=O)[O-])CC2)nc1 ZINC000833977883 605534324 /nfs/dbraw/zinc/53/43/24/605534324.db2.gz UFMKQWBAWHECQM-PCKAHOCUSA-N -1 0 372.425 2.292 20 30 FEEDRM Cc1nc(SCC(=O)N(C)CCN(C)C(=O)[O-])c(C#N)c(C)c1C ZINC000833915207 605548506 /nfs/dbraw/zinc/54/85/06/605548506.db2.gz DMOLLBGWZGCHSD-UHFFFAOYSA-N -1 0 350.444 2.039 20 30 FEEDRM CCOc1cc(C#N)ccc1OC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000827414116 605576693 /nfs/dbraw/zinc/57/66/93/605576693.db2.gz UWBVFCMNIGUHIP-LBPRGKRZSA-N -1 0 350.396 2.348 20 30 FEEDRM C=CCOCCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000833375924 605674946 /nfs/dbraw/zinc/67/49/46/605674946.db2.gz ONKKLDBJLWMHMW-UHFFFAOYSA-N -1 0 354.428 2.001 20 30 FEEDRM Cc1nc(SCC(=O)N[C@H]2CCCN(C(=O)[O-])C2)c(C#N)c(C)c1C ZINC000738869739 605716267 /nfs/dbraw/zinc/71/62/67/605716267.db2.gz ZLNUUUHHVHDBLS-ZDUSSCGKSA-N -1 0 362.455 2.229 20 30 FEEDRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NNS(=O)(=O)c1ccccc1 ZINC000834101892 605721245 /nfs/dbraw/zinc/72/12/45/605721245.db2.gz BOFNZUTWZUUXTK-DZGCQCFKSA-N -1 0 351.428 2.263 20 30 FEEDRM C[C@]1(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)CCCN1C(=O)[O-] ZINC000833822282 605727968 /nfs/dbraw/zinc/72/79/68/605727968.db2.gz PAWDOWKYMFNULS-MRXNPFEDSA-N -1 0 365.773 2.226 20 30 FEEDRM CCCN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000833853307 605753404 /nfs/dbraw/zinc/75/34/04/605753404.db2.gz KTRRJLGBIXIGCF-GFCCVEGCSA-N -1 0 371.846 2.365 20 30 FEEDRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)[O-] ZINC000833516325 605755301 /nfs/dbraw/zinc/75/53/01/605755301.db2.gz IOYSCLSLXSFYBM-KSSFIOAISA-N -1 0 352.390 2.341 20 30 FEEDRM Cc1cc(C(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)nn1-c1cccc(C#N)c1 ZINC000833898775 605756051 /nfs/dbraw/zinc/75/60/51/605756051.db2.gz KKUHJDIMRQLZJW-ZIAGYGMSSA-N -1 0 367.409 2.265 20 30 FEEDRM N#Cc1ccc(Cl)cc1NC(=O)CN(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833973579 605774446 /nfs/dbraw/zinc/77/44/46/605774446.db2.gz MQEZMFRVASUQRU-CQSZACIVSA-N -1 0 362.817 2.367 20 30 FEEDRM COc1ccc(C#N)cc1COC(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000829260911 605812979 /nfs/dbraw/zinc/81/29/79/605812979.db2.gz WTQONEWGSFLAMC-INIZCTEOSA-N -1 0 354.362 2.489 20 30 FEEDRM CCCN([C@@H]1CCN(C(=O)[O-])C1)S(=O)(=O)c1cccc(C)c1C#N ZINC000833854652 605845575 /nfs/dbraw/zinc/84/55/75/605845575.db2.gz YONJVHPQATWMDM-CYBMUJFWSA-N -1 0 351.428 2.020 20 30 FEEDRM C[C@@]1(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)CCCN(C(=O)[O-])C1 ZINC000833821730 605858445 /nfs/dbraw/zinc/85/84/45/605858445.db2.gz CPXJJILJNQSETJ-GOSISDBHSA-N -1 0 370.365 2.432 20 30 FEEDRM Cc1nc(SCC(=O)NC[C@@H](NC(=O)[O-])C2CC2)c(C#N)c(C)c1C ZINC000833917349 605991965 /nfs/dbraw/zinc/99/19/65/605991965.db2.gz YBJZVDBOOJLTHR-CQSZACIVSA-N -1 0 362.455 2.133 20 30 FEEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000833968243 606016623 /nfs/dbraw/zinc/01/66/23/606016623.db2.gz UZLAQXULZOFJIA-SNVBAGLBSA-N -1 0 360.757 2.323 20 30 FEEDRM Cn1cc(-c2nn[nH]n2)cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000822622912 606409196 /nfs/dbraw/zinc/40/91/96/606409196.db2.gz JYZPKKFQSSLHII-SNVBAGLBSA-N -1 0 367.369 2.444 20 30 FEEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2cnc(-c3ccncc3)s2)o1 ZINC000822424585 606601194 /nfs/dbraw/zinc/60/11/94/606601194.db2.gz XHMRBKVJCOMCHO-UHFFFAOYSA-N -1 0 353.371 2.128 20 30 FEEDRM N#Cc1cc(NC(=O)C(=O)[N-]OC/C=C\Cl)ccc1OC(F)(F)F ZINC000810500437 674547423 /nfs/dbraw/zinc/54/74/23/674547423.db2.gz GNANRTDIFRKJTK-RJRFIUFISA-N -1 0 363.679 2.196 20 30 FEEDRM COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[nH]n4)cn23)c([O-])c1 ZINC000821770382 606856841 /nfs/dbraw/zinc/85/68/41/606856841.db2.gz RQLQTPOMHISTDI-UTCJRWHESA-N -1 0 362.349 2.125 20 30 FEEDRM C[C@H](C(=O)[O-])N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000559602869 674549255 /nfs/dbraw/zinc/54/92/55/674549255.db2.gz DNSBMFUGMOPGGT-LLVKDONJSA-N -1 0 350.421 2.284 20 30 FEEDRM CC(C)(CCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1ccccc1 ZINC000824152953 607835467 /nfs/dbraw/zinc/83/54/67/607835467.db2.gz VNLRDJFPIHQYPR-UHFFFAOYSA-N -1 0 350.386 2.158 20 30 FEEDRM Cn1cnc2cc(CN=Nc3oc(C(C)(C)C)nc3-c3nnn[n-]3)ccc21 ZINC000826365118 608054239 /nfs/dbraw/zinc/05/42/39/608054239.db2.gz CATXVICJBIAEOL-UHFFFAOYSA-N -1 0 365.401 2.485 20 30 FEEDRM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)C12CC(C(F)(F)F)(C1)C2 ZINC000810701559 674557854 /nfs/dbraw/zinc/55/78/54/674557854.db2.gz ICEMIYLVZIPKDX-UHFFFAOYSA-N -1 0 362.304 2.235 20 30 FEEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000810771692 674560739 /nfs/dbraw/zinc/56/07/39/674560739.db2.gz XVEQLCVGTOJMOR-UHFFFAOYSA-N -1 0 366.439 2.425 20 30 FEEDRM CC#CCS(=O)(=O)[N-]C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000810773637 674560813 /nfs/dbraw/zinc/56/08/13/674560813.db2.gz JKVSNPNDWPGWCT-UHFFFAOYSA-N -1 0 356.856 2.352 20 30 FEEDRM CC#CCS(=O)(=O)[N-]C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000810773874 674560870 /nfs/dbraw/zinc/56/08/70/674560870.db2.gz OKNUOHJBHBEVBK-UHFFFAOYSA-N -1 0 366.826 2.397 20 30 FEEDRM CC#CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000810774388 674560996 /nfs/dbraw/zinc/56/09/96/674560996.db2.gz IFFQZYDTVJDHCT-VXGBXAGGSA-N -1 0 361.341 2.158 20 30 FEEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cc2cc(C(F)(F)F)ccc2n1C ZINC000810777946 674561243 /nfs/dbraw/zinc/56/12/43/674561243.db2.gz LJIHFFKVMDHQAX-UHFFFAOYSA-N -1 0 358.341 2.280 20 30 FEEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(OCCCC)c(OCC)c1 ZINC000810778001 674561269 /nfs/dbraw/zinc/56/12/69/674561269.db2.gz UGHMWVWNLBTCJS-UHFFFAOYSA-N -1 0 353.440 2.347 20 30 FEEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000810777556 674561297 /nfs/dbraw/zinc/56/12/97/674561297.db2.gz FHSNAUMRPJTEGD-UHFFFAOYSA-N -1 0 361.423 2.117 20 30 FEEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2cccc(F)c2)c1CCC ZINC000810783091 674561879 /nfs/dbraw/zinc/56/18/79/674561879.db2.gz FDOBQKCXYPDXHO-UHFFFAOYSA-N -1 0 363.414 2.047 20 30 FEEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000810785498 674562076 /nfs/dbraw/zinc/56/20/76/674562076.db2.gz JOJPTARIOYIAPW-UHFFFAOYSA-N -1 0 356.403 2.022 20 30 FEEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000810980547 674571874 /nfs/dbraw/zinc/57/18/74/674571874.db2.gz BHFHPOLWJFNKAT-QWHCGFSZSA-N -1 0 372.487 2.235 20 30 FEEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)NC3CC3)c2)CC1 ZINC000810988054 674572710 /nfs/dbraw/zinc/57/27/10/674572710.db2.gz ABTCLFLCZZRVCQ-UHFFFAOYSA-N -1 0 363.439 2.139 20 30 FEEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc3c(c(OC)c2)O[C@@H](C)C3)CC1 ZINC000810986885 674572740 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20 30 FEEDRM COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)cc1C(=O)[O-] ZINC000819160260 675265339 /nfs/dbraw/zinc/26/53/39/675265339.db2.gz YJAPZWVYANWRNQ-DTWKUNHWSA-N -1 0 358.803 2.017 20 30 FEEDRM Cc1nc(SC2CCCC2)sc1CC(=O)N[C@H]1CCN(O)C1=O ZINC000820130929 675338224 /nfs/dbraw/zinc/33/82/24/675338224.db2.gz CZWNEOHKCMZUID-NSHDSACASA-N -1 0 355.485 2.135 20 30 FEEDRM C=CC[C@H](CO)Nc1nc(CN(C)C)nc2sc(C(=O)[O-])c(C)c21 ZINC000567979349 675340725 /nfs/dbraw/zinc/34/07/25/675340725.db2.gz IXGKOINTPUJWJU-SNVBAGLBSA-N -1 0 350.444 2.108 20 30 FEEDRM CC1(C)CCCN(S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H]1C(=O)[O-] ZINC000568001915 675342786 /nfs/dbraw/zinc/34/27/86/675342786.db2.gz LMGNVOOENFSGIN-AWEZNQCLSA-N -1 0 354.403 2.102 20 30 FEEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C(=O)/C=C/[C@H]1CCCO1 ZINC000820918076 675399184 /nfs/dbraw/zinc/39/91/84/675399184.db2.gz VHUWKXPDMGHVBS-FVOPLDGLSA-N -1 0 374.340 2.117 20 30 FEEDRM N#CCCS(=O)(=O)[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000821583949 675442061 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N#CCc1cccc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000619462872 676377741 /nfs/dbraw/zinc/37/77/41/676377741.db2.gz XRAGWWULVPQYDJ-UHFFFAOYSA-N -1 0 360.391 2.407 20 30 FEEDRM C[C@H](CC(=O)[O-])C1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000619471395 676378775 /nfs/dbraw/zinc/37/87/75/676378775.db2.gz NGNYZCLOIUITBT-CYBMUJFWSA-N -1 0 350.440 2.264 20 30 FEEDRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1cccs1 ZINC000619482825 676379881 /nfs/dbraw/zinc/37/98/81/676379881.db2.gz FQVLDJAYJCYDHN-AWEZNQCLSA-N -1 0 350.421 2.007 20 30 FEEDRM C=CC[C@H]1CCN(C(=O)c2cc([N-]S(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000628487713 676804733 /nfs/dbraw/zinc/80/47/33/676804733.db2.gz KYELFZCXXSUCDI-LBPRGKRZSA-N -1 0 368.455 2.114 20 30 FEEDRM C=CCOC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000630185363 676885916 /nfs/dbraw/zinc/88/59/16/676885916.db2.gz ALEBDHZOAFSNSE-HOTGVXAUSA-N -1 0 366.845 2.076 20 30 FEEDRM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C#N)cc2C(C)=O)CCCC1 ZINC000830176683 677028775 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Cc1nnc(NN=Cc2c(F)ccc(C3OCCO3)c2Cl)[n-]c1=O ZINC000761748920 680730832 /nfs/dbraw/zinc/73/08/32/680730832.db2.gz KDFVTJKQADPFPL-UHFFFAOYSA-N -1 0 353.741 2.170 20 30 FEEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cccc([C@@H]3CCOC3)c2)c1 ZINC000762019891 680737733 /nfs/dbraw/zinc/73/77/33/680737733.db2.gz ZWFDJKRJZFQDMF-MRXNPFEDSA-N -1 0 356.403 2.181 20 30 FEEDRM O=C([O-])C(F)(F)Oc1ccc(C=NNCCOCC(F)(F)F)cc1 ZINC000765594123 680847529 /nfs/dbraw/zinc/84/75/29/680847529.db2.gz QGWVAKVOIFWVKF-UHFFFAOYSA-N -1 0 356.247 2.245 20 30 FEEDRM COc1cc(C(C)=NNCCOCC(F)(F)F)cc([N+](=O)[O-])c1[O-] ZINC000765598797 680847774 /nfs/dbraw/zinc/84/77/74/680847774.db2.gz HORJYEWNWAQMRQ-UHFFFAOYSA-N -1 0 351.281 2.202 20 30 FEEDRM C=C(C)[C@@H](CC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1)OCC ZINC000911770278 685258591 /nfs/dbraw/zinc/25/85/91/685258591.db2.gz NPUMYSVLDLSMEX-CYBMUJFWSA-N -1 0 352.456 2.466 20 30 FEEDRM CN(C)c1ccc(C=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000748248116 679945354 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30 FEEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(C2CC2)n1 ZINC000835032553 680288241 /nfs/dbraw/zinc/28/82/41/680288241.db2.gz CCLNEZWAVSBXFU-UHFFFAOYSA-N -1 0 355.419 2.399 20 30 FEEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(Br)n(C)n1 ZINC000835056037 680291972 /nfs/dbraw/zinc/29/19/72/680291972.db2.gz ABVMCQBJGZYLFB-JTQLQIEISA-N -1 0 355.236 2.202 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2(F)F)c(C(F)(F)F)c1 ZINC000835097699 680295358 /nfs/dbraw/zinc/29/53/58/680295358.db2.gz LMMKCKSCKVDCLW-QMMMGPOBSA-N -1 0 354.256 2.037 20 30 FEEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@]3(C)CCO[C@H]3C)cc2[n-]c1=S ZINC000753504232 680300917 /nfs/dbraw/zinc/30/09/17/680300917.db2.gz VQXXMBIXHAWUTJ-VOJFVSQTSA-N -1 0 359.451 2.169 20 30 FEEDRM C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)OCC)cn2)CCCC1 ZINC000835254809 680311344 /nfs/dbraw/zinc/31/13/44/680311344.db2.gz DNIPPZLMGLJUTC-UHFFFAOYSA-N -1 0 366.439 2.200 20 30 FEEDRM C[C@@]1(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CC1(Cl)Cl ZINC000835281263 680313953 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C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000411885006 558982720 /nfs/dbraw/zinc/98/27/20/558982720.db2.gz HJBUBZKQOFOILZ-AWEZNQCLSA-N -1 0 372.494 3.078 20 30 FEEDRM CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3F)ccc2[nH]1 ZINC000526005086 562263376 /nfs/dbraw/zinc/26/33/76/562263376.db2.gz MMCUANUSGLNAGZ-UHFFFAOYSA-N -1 0 372.381 2.339 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)NCc2cc(C(=O)[O-])co2)c(C(F)(F)F)c1 ZINC000526951389 562270513 /nfs/dbraw/zinc/27/05/13/562270513.db2.gz VABHVKCOEGLFSA-UHFFFAOYSA-N -1 0 374.296 2.347 20 30 FEEDRM C=CCOc1ccc(Br)cc1[N-]S(=O)(=O)CCOC ZINC000414388780 559160770 /nfs/dbraw/zinc/16/07/70/559160770.db2.gz MVJJANJUAQUYHK-UHFFFAOYSA-N -1 0 350.234 2.402 20 30 FEEDRM N#Cc1c([N-]S(=O)(=O)c2cnc3n2CCC3)cccc1OC(F)(F)F ZINC000414471982 559166926 /nfs/dbraw/zinc/16/69/26/559166926.db2.gz QTVWYBFEJNBBGQ-UHFFFAOYSA-N -1 0 372.328 2.400 20 30 FEEDRM N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@H](C(=O)[O-])C3)C2)c(F)c1 ZINC000414615278 559175681 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559748206 /nfs/dbraw/zinc/74/82/06/559748206.db2.gz ZOBZXZCDPYOHHH-UHFFFAOYSA-N -1 0 358.423 2.202 20 30 FEEDRM COc1ccccc1-c1nnc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)o1 ZINC000427758980 559761693 /nfs/dbraw/zinc/76/16/93/559761693.db2.gz DHLPBJWVWYWGAN-UHFFFAOYSA-N -1 0 371.378 2.121 20 30 FEEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)nc1 ZINC000427782863 559762486 /nfs/dbraw/zinc/76/24/86/559762486.db2.gz SZNRWBODSLTDPV-UHFFFAOYSA-N -1 0 361.276 2.792 20 30 FEEDRM CCn1nc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(=O)c2ccccc21 ZINC000429568714 559801617 /nfs/dbraw/zinc/80/16/17/559801617.db2.gz OYFUESUUOKFRLS-CYBMUJFWSA-N -1 0 372.388 2.486 20 30 FEEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3nn(C)c4ccccc4c3=O)nc1-2 ZINC000429571240 559801893 /nfs/dbraw/zinc/80/18/93/559801893.db2.gz WUONFJPMFIFSHN-LBPRGKRZSA-N -1 0 358.361 2.003 20 30 FEEDRM Cc1[n-][nH]c(=NC(=O)c2ccc(I)c(F)c2)c1C#N ZINC000431685330 559843929 /nfs/dbraw/zinc/84/39/29/559843929.db2.gz KLDVPPNOEVWKDA-UHFFFAOYSA-N -1 0 370.125 2.586 20 30 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XBVKSJBKRIMVBP-BEFAXECRSA-N -1 0 361.417 2.437 20 30 FEEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000833067318 601607795 /nfs/dbraw/zinc/60/77/95/601607795.db2.gz AFSWBXMYILPBSX-MRXNPFEDSA-N -1 0 370.336 2.415 20 30 FEEDRM CCCCC[C@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(=O)[O-] ZINC000829320642 601648489 /nfs/dbraw/zinc/64/84/89/601648489.db2.gz DXBPSTKOXKYCON-INIZCTEOSA-N -1 0 371.441 2.300 20 30 FEEDRM C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(C(=O)[O-])c(F)c2)C1=O ZINC000828115892 601668971 /nfs/dbraw/zinc/66/89/71/601668971.db2.gz MQAIDOPGDMMPLJ-IBGZPJMESA-N -1 0 367.336 2.363 20 30 FEEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000643430539 601757528 /nfs/dbraw/zinc/75/75/28/601757528.db2.gz QSDDSFBOQDJKTC-UKRRQHHQSA-N -1 0 355.394 2.230 20 30 FEEDRM N#CCCN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccco1 ZINC000833065669 601799484 /nfs/dbraw/zinc/79/94/84/601799484.db2.gz JLKAFMYFIPFNHB-GOSISDBHSA-N -1 0 367.405 2.033 20 30 FEEDRM CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000826676790 601905732 /nfs/dbraw/zinc/90/57/32/601905732.db2.gz KPHGBJCXQASODU-RDJZCZTQSA-N -1 0 371.359 2.216 20 30 FEEDRM N#Cc1cc(F)c(S(=O)(=O)Oc2ccc(CC(=O)[O-])cc2)c(F)c1 ZINC000833069541 601975729 /nfs/dbraw/zinc/97/57/29/601975729.db2.gz DZJGNCZFTNQVCE-UHFFFAOYSA-N -1 0 353.302 2.231 20 30 FEEDRM C=C(Br)CNC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000738470148 602141276 /nfs/dbraw/zinc/14/12/76/602141276.db2.gz IZWODGMSZQKICJ-VXGBXAGGSA-N -1 0 360.252 2.459 20 30 FEEDRM CCC[C@@](C)(NC(=O)[O-])C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000739295567 602222267 /nfs/dbraw/zinc/22/22/67/602222267.db2.gz JLCJNOOOFXDDMA-RDTXWAMCSA-N -1 0 359.382 2.033 20 30 FEEDRM C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738979398 602225153 /nfs/dbraw/zinc/22/51/53/602225153.db2.gz NFDXDBOTKURUCW-UKRRQHHQSA-N -1 0 360.414 2.167 20 30 FEEDRM CS(=O)(=O)c1cc(NC(=O)C2(C#N)CCCCC2)cc(C(=O)[O-])c1 ZINC000832704086 602252579 /nfs/dbraw/zinc/25/25/79/602252579.db2.gz WPXSSRFBVLQOFV-UHFFFAOYSA-N -1 0 350.396 2.201 20 30 FEEDRM C[C@@H](CC#N)N(C)Cn1c2ccccc2n(C2=CCN(C(=O)[O-])CC2)c1=O ZINC000738893120 602373171 /nfs/dbraw/zinc/37/31/71/602373171.db2.gz LKANOHJUUUNLMD-AWEZNQCLSA-N -1 0 369.425 2.219 20 30 FEEDRM C[C@H](CNC(=O)[O-])N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000738935285 602466489 /nfs/dbraw/zinc/46/64/89/602466489.db2.gz UKOWGEMSMNXIKY-GFCCVEGCSA-N -1 0 357.366 2.458 20 30 FEEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738799943 602487437 /nfs/dbraw/zinc/48/74/37/602487437.db2.gz KBCWQBHVEUPRRG-YOEHRIQHSA-N -1 0 359.426 2.420 20 30 FEEDRM C[C@H](CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)NC(=O)[O-] ZINC000738905790 602558875 /nfs/dbraw/zinc/55/88/75/602558875.db2.gz MXIHMHHAHJLRDN-CYBMUJFWSA-N -1 0 360.414 2.157 20 30 FEEDRM N#Cc1ccc(S(=O)(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)cc1 ZINC000740321280 602569143 /nfs/dbraw/zinc/56/91/43/602569143.db2.gz DXOCKTHILNGGTI-OAHLLOKOSA-N -1 0 351.428 2.053 20 30 FEEDRM CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])c1C#N ZINC000740020855 602589733 /nfs/dbraw/zinc/58/97/33/602589733.db2.gz PDPLVRMTJAEYMA-NSHDSACASA-N -1 0 360.439 2.425 20 30 FEEDRM N#Cc1cccc(NC(=O)COC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[O-])c1 ZINC000740323005 602656582 /nfs/dbraw/zinc/65/65/82/602656582.db2.gz JEZCLLZOXUHPDR-IMJJTQAJSA-N -1 0 371.393 2.351 20 30 FEEDRM C=CCNC(=O)c1ccc(N2CCC([C@H]3CCCN3C(=O)[O-])CC2)nc1 ZINC000738495967 602730698 /nfs/dbraw/zinc/73/06/98/602730698.db2.gz RRQQPMIXFWIMMB-MRXNPFEDSA-N -1 0 358.442 2.356 20 30 FEEDRM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000739155023 602753911 /nfs/dbraw/zinc/75/39/11/602753911.db2.gz RITCLXASWKTEOD-LBPRGKRZSA-N -1 0 369.343 2.451 20 30 FEEDRM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCN(C(=O)[O-])CC1 ZINC000738618967 602819165 /nfs/dbraw/zinc/81/91/65/602819165.db2.gz VVIZPVGTKWVYTH-AWEZNQCLSA-N -1 0 362.405 2.147 20 30 FEEDRM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCN(C(=O)[O-])CC1 ZINC000738629618 602821610 /nfs/dbraw/zinc/82/16/10/602821610.db2.gz IFQFWGCYLYVEEK-NSHDSACASA-N -1 0 350.806 2.224 20 30 FEEDRM N#C[C@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000740303445 602893320 /nfs/dbraw/zinc/89/33/20/602893320.db2.gz JPEQSHWPEVPFQY-KGLIPLIRSA-N -1 0 351.790 2.180 20 30 FEEDRM N#CCN(C(=O)COC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000740309280 602893540 /nfs/dbraw/zinc/89/35/40/602893540.db2.gz ZDVJBBJDCUAWHW-QGZVFWFLSA-N -1 0 367.361 2.095 20 30 FEEDRM N#C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740304716 602959845 /nfs/dbraw/zinc/95/98/45/602959845.db2.gz XOANAPRXLCMRLR-SCZZXKLOSA-N -1 0 353.737 2.126 20 30 FEEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000740317250 603002270 /nfs/dbraw/zinc/00/22/70/603002270.db2.gz QVCVBGGDLAMDGV-ONQFOCNCSA-N -1 0 368.437 2.317 20 30 FEEDRM N#Cc1ccc(NC(=O)COC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])cc1Cl ZINC000740314705 603123345 /nfs/dbraw/zinc/12/33/45/603123345.db2.gz AOYHTKVHVFUQRO-YPMHNXCESA-N -1 0 365.773 2.130 20 30 FEEDRM CC(C)(C(=O)Nc1cccc(OCCCC#N)c1)N1CCN(C(=O)[O-])CC1 ZINC000738662869 603134797 /nfs/dbraw/zinc/13/47/97/603134797.db2.gz VXOFWPPWQZWSAY-UHFFFAOYSA-N -1 0 374.441 2.382 20 30 FEEDRM CC(C)C[C@@H](NC(=O)[O-])C(N)=NOCc1nnc(-c2cccc(C#N)c2)o1 ZINC000824219168 603154153 /nfs/dbraw/zinc/15/41/53/603154153.db2.gz RVBJKROEQMLYRA-CYBMUJFWSA-N -1 0 372.385 2.289 20 30 FEEDRM C[C@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[C@H]1NC(=O)[O-] ZINC000826075214 603190971 /nfs/dbraw/zinc/19/09/71/603190971.db2.gz VVAOAUOJPUCBSA-IINYFYTJSA-N -1 0 355.354 2.497 20 30 FEEDRM C[C@H](C(=O)NCCNc1ccc(C#N)cn1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823694055 603309317 /nfs/dbraw/zinc/30/93/17/603309317.db2.gz OIMBCMPJCYTIAW-SUMWQHHRSA-N -1 0 367.409 2.126 20 30 FEEDRM CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739717161 603393162 /nfs/dbraw/zinc/39/31/62/603393162.db2.gz UVHLFLUPKOPSKW-UHFFFAOYSA-N -1 0 370.340 2.384 20 30 FEEDRM N#Cc1ccc(OC(F)F)c(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])c1 ZINC000740319353 603411701 /nfs/dbraw/zinc/41/17/01/603411701.db2.gz PJGCGCLIVUHJBU-LLVKDONJSA-N -1 0 369.324 2.257 20 30 FEEDRM CN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828086220 603534321 /nfs/dbraw/zinc/53/43/21/603534321.db2.gz QGASMWJAEDVPAK-RYUDHWBXSA-N -1 0 358.423 2.157 20 30 FEEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)/C=C\c1ccccc1OC(F)(F)F ZINC000831075571 603601607 /nfs/dbraw/zinc/60/16/07/603601607.db2.gz AYDVMKAOSCEVBE-FJOGCWAESA-N -1 0 369.299 2.313 20 30 FEEDRM N#CCN1CCC(CNC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000831097042 603688009 /nfs/dbraw/zinc/68/80/09/603688009.db2.gz CGKUPVDCSKJKCT-OAHLLOKOSA-N -1 0 364.833 2.000 20 30 FEEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1c(Cl)cccc1Cl ZINC000831092346 603726282 /nfs/dbraw/zinc/72/62/82/603726282.db2.gz UOAPQFXUHREVQB-SECBINFHSA-N -1 0 357.197 2.120 20 30 FEEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000831091863 603728487 /nfs/dbraw/zinc/72/84/87/603728487.db2.gz MPAVIZBCDZWVNM-MRXNPFEDSA-N -1 0 364.405 2.480 20 30 FEEDRM N#Cc1ccc(-c2nnc(COC(=O)C3(CNC(=O)[O-])CCCC3)o2)cc1 ZINC000831117934 603758303 /nfs/dbraw/zinc/75/83/03/603758303.db2.gz IHKQNYRWOZOJSQ-UHFFFAOYSA-N -1 0 370.365 2.479 20 30 FEEDRM CC(C)(NC(=O)[O-])C(C)(C)C(=O)OCC(=O)Nc1ccc(CC#N)cc1 ZINC000824024895 603772304 /nfs/dbraw/zinc/77/23/04/603772304.db2.gz IBIBJTXKVHRGTE-UHFFFAOYSA-N -1 0 361.398 2.307 20 30 FEEDRM C[C@H](OC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)C(=O)Nc1ccccc1C#N ZINC000825562749 603860655 /nfs/dbraw/zinc/86/06/55/603860655.db2.gz XLXGOMNNBOWAQQ-SCRDCRAPSA-N -1 0 359.382 2.255 20 30 FEEDRM N#Cc1cccc(-c2nnc(COC(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)o2)c1 ZINC000831146273 603867804 /nfs/dbraw/zinc/86/78/04/603867804.db2.gz NGJDDOHHCDZRLJ-ZIAGYGMSSA-N -1 0 370.365 2.478 20 30 FEEDRM CN(C(=O)COC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000827774862 603875078 /nfs/dbraw/zinc/87/50/78/603875078.db2.gz NOHUSSZPVURECV-UONOGXRCSA-N -1 0 365.430 2.041 20 30 FEEDRM N#Cc1ccc(OC2CCN(C(=O)[C@@]3(F)CCN(C(=O)[O-])C3)CC2)cc1 ZINC000831137263 603880124 /nfs/dbraw/zinc/88/01/24/603880124.db2.gz UZZDVDURDYQXDA-GOSISDBHSA-N -1 0 361.373 2.020 20 30 FEEDRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000825195775 603913493 /nfs/dbraw/zinc/91/34/93/603913493.db2.gz WATWKMNNOHYDSR-NOZJJQNGSA-N -1 0 373.381 2.036 20 30 FEEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000823516886 603940294 /nfs/dbraw/zinc/94/02/94/603940294.db2.gz XRALXBPTBGGTBC-OAHLLOKOSA-N -1 0 370.409 2.309 20 30 FEEDRM N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2CCCCN2C(=O)[O-])CC1 ZINC000740323793 603965422 /nfs/dbraw/zinc/96/54/22/603965422.db2.gz RTJJNZWYSVHUBL-KRWDZBQOSA-N -1 0 356.426 2.176 20 30 FEEDRM N#Cc1cccc(Oc2ccc(NC(=O)COC3CN(C(=O)[O-])C3)cn2)c1 ZINC000831152763 603977904 /nfs/dbraw/zinc/97/79/04/603977904.db2.gz LTFZQBHNVJGSRH-UHFFFAOYSA-N -1 0 368.349 2.063 20 30 FEEDRM N#Cc1ccc(NC(=O)COC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1Cl 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YBKYADFILVNGAM-ZDUSSCGKSA-N -1 0 356.338 2.184 20 30 FEEDRM CN(C(=O)COC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000827774861 603874836 /nfs/dbraw/zinc/87/48/36/603874836.db2.gz NOHUSSZPVURECV-KGLIPLIRSA-N -1 0 365.430 2.041 20 30 FEEDRM C=CCn1c(-c2ccncc2)nn(CN2CC[C@@H](N(C)C(=O)[O-])C2)c1=S ZINC000823521472 603914923 /nfs/dbraw/zinc/91/49/23/603914923.db2.gz CUYIDLCIMYACFK-CQSZACIVSA-N -1 0 374.470 2.304 20 30 FEEDRM Cc1sc(NC(=O)CN2CCC[C@H](N(C)C(=O)[O-])C2)c(C#N)c1C ZINC000830956861 603964458 /nfs/dbraw/zinc/96/44/58/603964458.db2.gz JZHJOOCPCXYDSS-LBPRGKRZSA-N -1 0 350.444 2.249 20 30 FEEDRM Cc1sc(NC(=O)CN2CCN(C(=O)[O-])CC2(C)C)c(C#N)c1C ZINC000830955951 603967697 /nfs/dbraw/zinc/96/76/97/603967697.db2.gz CDPAQLLTPSIAAV-UHFFFAOYSA-N -1 0 350.444 2.249 20 30 FEEDRM C/C(=C\C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)c1ccccc1OC(F)F ZINC000823528132 604073764 /nfs/dbraw/zinc/07/37/64/604073764.db2.gz PZEUFIXMOIRQCQ-JATZPVMKSA-N -1 0 365.336 2.406 20 30 FEEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCc1cc(Br)cs1 ZINC000831082748 604080006 /nfs/dbraw/zinc/08/00/06/604080006.db2.gz PYEKWTYKZHLHBZ-SNVBAGLBSA-N -1 0 372.244 2.158 20 30 FEEDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000825275041 604196721 /nfs/dbraw/zinc/19/67/21/604196721.db2.gz XJOHHCHTAGHVDQ-DOMZBBRYSA-N -1 0 355.398 2.476 20 30 FEEDRM CC(C)[C@@H](CCN(C)S(=O)(=O)Cc1cccc(C#N)c1)NC(=O)[O-] ZINC000824105150 604237337 /nfs/dbraw/zinc/23/73/37/604237337.db2.gz OZULVMWJSPBGDO-OAHLLOKOSA-N -1 0 353.444 2.002 20 30 FEEDRM C[C@H](CN(C)C(=O)[O-])C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000824879816 604242042 /nfs/dbraw/zinc/24/20/42/604242042.db2.gz BJTBQHXGEJEKHF-NXEZZACHSA-N -1 0 367.789 2.328 20 30 FEEDRM N#Cc1cnc2ccccc2c1OCCOC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000831161567 604253485 /nfs/dbraw/zinc/25/34/85/604253485.db2.gz DUXGGDZJSVBJLL-TZMCWYRMSA-N -1 0 369.377 2.465 20 30 FEEDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000824211746 604310866 /nfs/dbraw/zinc/31/08/66/604310866.db2.gz SMLXUKKBYXYCLO-MRXNPFEDSA-N -1 0 374.441 2.140 20 30 FEEDRM COc1ccccc1[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])NC(=O)[O-] ZINC000829605340 604441581 /nfs/dbraw/zinc/44/15/81/604441581.db2.gz XQAKQOAOHUNAPK-LBPRGKRZSA-N -1 0 357.326 2.291 20 30 FEEDRM C[C@H](Oc1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1)C(=O)[O-] ZINC000833538568 604525666 /nfs/dbraw/zinc/52/56/66/604525666.db2.gz DFBIIOCIKZMPQF-HNNXBMFYSA-N -1 0 366.421 2.127 20 30 FEEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1 ZINC000826096304 604531696 /nfs/dbraw/zinc/53/16/96/604531696.db2.gz SULWLFCWBSOOCM-SJORKVTESA-N -1 0 370.453 2.220 20 30 FEEDRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000825371451 604564404 /nfs/dbraw/zinc/56/44/04/604564404.db2.gz GKSGPXRKIWLSTA-LBPRGKRZSA-N -1 0 366.377 2.142 20 30 FEEDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000833479996 604587038 /nfs/dbraw/zinc/58/70/38/604587038.db2.gz PDVRRNCEJARXNC-UYSNPLJNSA-N -1 0 374.441 2.442 20 30 FEEDRM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833548319 604602217 /nfs/dbraw/zinc/60/22/17/604602217.db2.gz NJPWYYAGHUPORW-LBPRGKRZSA-N -1 0 373.434 2.097 20 30 FEEDRM C[C@H](NC(=O)[O-])[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)CCO1 ZINC000825353158 604629720 /nfs/dbraw/zinc/62/97/20/604629720.db2.gz VBMHCVNWLRSRRQ-XHDPSFHLSA-N -1 0 353.806 2.099 20 30 FEEDRM C#CC[C@@H](NC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)c1ccccc1 ZINC000833360159 604656175 /nfs/dbraw/zinc/65/61/75/604656175.db2.gz FKGFFNSSAKZGEM-QGZVFWFLSA-N -1 0 365.389 2.387 20 30 FEEDRM C#CCNC([S-])=C(C([O-])=C1[NH+]=C(C)C(C(=O)[O-])=C1C)[n+]1cccc(C)c1 ZINC000833365235 604741993 /nfs/dbraw/zinc/74/19/93/604741993.db2.gz FJCWYYAICHYRGN-UHFFFAOYSA-O -1 0 370.454 2.206 20 30 FEEDRM C[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC#N)CC[C@@H]1NC(=O)[O-] ZINC000826015338 604805415 /nfs/dbraw/zinc/80/54/15/604805415.db2.gz WAFMMKTXQPVABB-JQWIXIFHSA-N -1 0 350.350 2.238 20 30 FEEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000832847014 604844625 /nfs/dbraw/zinc/84/46/25/604844625.db2.gz DCDUZMKVTOWGCJ-LLVKDONJSA-N -1 0 355.350 2.385 20 30 FEEDRM COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832562219 604881138 /nfs/dbraw/zinc/88/11/38/604881138.db2.gz KMLKRPUSXGPHKV-CQSZACIVSA-N -1 0 356.309 2.494 20 30 FEEDRM COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832562218 604881267 /nfs/dbraw/zinc/88/12/67/604881267.db2.gz KMLKRPUSXGPHKV-AWEZNQCLSA-N -1 0 356.309 2.494 20 30 FEEDRM CC(C)Oc1ccc(NC(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1C#N ZINC000833506842 604887020 /nfs/dbraw/zinc/88/70/20/604887020.db2.gz PNYYWTQVGBNRQA-INIZCTEOSA-N -1 0 361.398 2.035 20 30 FEEDRM Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833747590 604916383 /nfs/dbraw/zinc/91/63/83/604916383.db2.gz YWWHJOKYQQCTMG-AWEZNQCLSA-N -1 0 357.410 2.155 20 30 FEEDRM C[C@@H](C(=O)N(CC#N)CC(=O)[O-])c1cccc(C(=O)c2ccccc2)c1 ZINC000833402658 604971238 /nfs/dbraw/zinc/97/12/38/604971238.db2.gz RUGXKMZNWGUKPR-CQSZACIVSA-N -1 0 350.374 2.458 20 30 FEEDRM C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2CC(=O)[O-])C1=O ZINC000833572674 605056620 /nfs/dbraw/zinc/05/66/20/605056620.db2.gz WLEWIWOJROWHGZ-HXUWFJFHSA-N -1 0 363.373 2.153 20 30 FEEDRM N#Cc1c(Cl)cccc1Oc1cccc(C(=O)NC[C@H](O)C(=O)[O-])c1 ZINC000833761067 605091387 /nfs/dbraw/zinc/09/13/87/605091387.db2.gz MFROCGHOCNMPDE-AWEZNQCLSA-N -1 0 360.753 2.179 20 30 FEEDRM C=CCOc1cccnc1C(=O)Oc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000833378269 605116344 /nfs/dbraw/zinc/11/63/44/605116344.db2.gz CGLPXZFLHKCHQV-UHFFFAOYSA-N -1 0 357.318 2.350 20 30 FEEDRM C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1 ZINC000833376547 605184731 /nfs/dbraw/zinc/18/47/31/605184731.db2.gz GOXNEAUFWCRIPA-UHFFFAOYSA-N -1 0 374.418 2.410 20 30 FEEDRM C#CCOc1ccccc1OS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833367433 605201312 /nfs/dbraw/zinc/20/13/12/605201312.db2.gz XZPOGCJBVYYYGB-UHFFFAOYSA-N -1 0 350.323 2.304 20 30 FEEDRM C[C@]1(NS(=O)(=O)Cc2cc(C#N)ccc2F)CCCC[C@H]1C(=O)[O-] ZINC000833570334 605245386 /nfs/dbraw/zinc/24/53/86/605245386.db2.gz ROIFLKQPOKIGNM-BBRMVZONSA-N -1 0 354.403 2.150 20 30 FEEDRM C=CCN(Cc1ccccc1F)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823507076 605272185 /nfs/dbraw/zinc/27/21/85/605272185.db2.gz RFVDKDNGANLXFO-OAHLLOKOSA-N -1 0 350.390 2.499 20 30 FEEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823501276 605282142 /nfs/dbraw/zinc/28/21/42/605282142.db2.gz UFQYFVAFHBFQAX-QGZVFWFLSA-N -1 0 357.410 2.232 20 30 FEEDRM N#CC1(NC(=O)COC(=O)CN(C(=O)[O-])c2ccccc2)CCCCC1 ZINC000831075664 605317865 /nfs/dbraw/zinc/31/78/65/605317865.db2.gz BNXFVLVFHJVQAB-UHFFFAOYSA-N -1 0 359.382 2.057 20 30 FEEDRM N#CCOc1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)cc1 ZINC000833966411 605383222 /nfs/dbraw/zinc/38/32/22/605383222.db2.gz GLYGANSHXAQUNO-USXIJHARSA-N -1 0 372.425 2.167 20 30 FEEDRM N#Cc1c(F)cccc1N1CCN(C(=O)CC[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000833970574 605409360 /nfs/dbraw/zinc/40/93/60/605409360.db2.gz VPMKSIHCHPRCCR-AWEZNQCLSA-N -1 0 374.416 2.126 20 30 FEEDRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000833506318 605481024 /nfs/dbraw/zinc/48/10/24/605481024.db2.gz XNQCGUDEHDMSCF-KRWDZBQOSA-N -1 0 356.426 2.269 20 30 FEEDRM CCCC[C@H](CNC(=O)[O-])NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000826781316 605499229 /nfs/dbraw/zinc/49/92/29/605499229.db2.gz NESZPFVDLWKYOT-LLVKDONJSA-N -1 0 366.805 2.093 20 30 FEEDRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000824287410 605590926 /nfs/dbraw/zinc/59/09/26/605590926.db2.gz NAIOQPPQVZLYJH-IRXDYDNUSA-N -1 0 358.442 2.078 20 30 FEEDRM N#Cc1cccc([C@@H]2CN(C(=O)CC3CCN(C(=O)[O-])CC3)CCO2)c1 ZINC000833978544 605714809 /nfs/dbraw/zinc/71/48/09/605714809.db2.gz OJJZPDPIRBDYKY-KRWDZBQOSA-N -1 0 357.410 2.238 20 30 FEEDRM N#Cc1cccc([C@@H]2CN(C(=O)[C@@H](NC(=O)[O-])c3ccccc3)CCO2)c1 ZINC000833978217 605718983 /nfs/dbraw/zinc/71/89/83/605718983.db2.gz FUXOILFUQHAPSJ-ROUUACIJSA-N -1 0 365.389 2.467 20 30 FEEDRM N#Cc1ccc(NC(=O)COC(=O)Cc2cccc(NC(=O)[O-])c2)cc1 ZINC000833973983 605797059 /nfs/dbraw/zinc/79/70/59/605797059.db2.gz DOTKBLLQGZTVIN-UHFFFAOYSA-N -1 0 353.334 2.373 20 30 FEEDRM O=C([O-])N[C@@H]1CCCC1N=Nc1ncnc2c1cnn2-c1ccccc1 ZINC000834171533 605859964 /nfs/dbraw/zinc/85/99/64/605859964.db2.gz ZCQSJXHIICBOGF-CYBMUJFWSA-N -1 0 351.370 2.404 20 30 FEEDRM N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1 ZINC000833976262 605869236 /nfs/dbraw/zinc/86/92/36/605869236.db2.gz KWRNSABACCKVEO-GOSISDBHSA-N -1 0 365.389 2.220 20 30 FEEDRM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)Nc1ccccc1SCC#N ZINC000833830183 605884475 /nfs/dbraw/zinc/88/44/75/605884475.db2.gz KAAWCSVIIOVJTN-CHWSQXEVSA-N -1 0 362.455 2.219 20 30 FEEDRM Cc1cc(N(CCC#N)C(=O)CN2CC[C@H](NC(=O)[O-])C2)ccc1Cl ZINC000740076880 605921009 /nfs/dbraw/zinc/92/10/09/605921009.db2.gz GYAYJRNMSUMAMK-ZDUSSCGKSA-N -1 0 364.833 2.237 20 30 FEEDRM N#C[C@H](NC(=O)CN(C(=O)[O-])C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000833961301 605983777 /nfs/dbraw/zinc/98/37/77/605983777.db2.gz QGPYQZSWDBXQIN-LBPRGKRZSA-N -1 0 357.288 2.408 20 30 FEEDRM N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCCN3C(=O)[O-])n2)c(Cl)c1 ZINC000833975193 605987919 /nfs/dbraw/zinc/98/79/19/605987919.db2.gz SFUQTWDMENUZIO-ZDUSSCGKSA-N -1 0 359.773 2.478 20 30 FEEDRM N#Cc1cccc(-c2csc(NC(=O)CCOC3CN(C(=O)[O-])C3)n2)c1 ZINC000833977716 606099595 /nfs/dbraw/zinc/09/95/95/606099595.db2.gz WIAUHWSXZANXTD-UHFFFAOYSA-N -1 0 372.406 2.389 20 30 FEEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1sc(C(C)(C)OC)nc1C ZINC000810526815 674549038 /nfs/dbraw/zinc/54/90/38/674549038.db2.gz GLKXEWANFYXPRH-GFCCVEGCSA-N -1 0 367.471 2.198 20 30 FEEDRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000559602870 674549283 /nfs/dbraw/zinc/54/92/83/674549283.db2.gz DNSBMFUGMOPGGT-NSHDSACASA-N -1 0 350.421 2.284 20 30 FEEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccccn1 ZINC000810561782 674550549 /nfs/dbraw/zinc/55/05/49/674550549.db2.gz QNKRBWMPHIWHRI-MRXNPFEDSA-N -1 0 357.435 2.483 20 30 FEEDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(C#N)n2)c(Cl)cc1F ZINC000810631188 674554008 /nfs/dbraw/zinc/55/40/08/674554008.db2.gz PYJWFUQTQWXSJW-UHFFFAOYSA-N -1 0 353.762 2.173 20 30 FEEDRM [O-]c1c(F)cc(C=NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1F ZINC000826510710 608538063 /nfs/dbraw/zinc/53/80/63/608538063.db2.gz GYSMDFISROGWAX-UHFFFAOYSA-N -1 0 351.704 2.345 20 30 FEEDRM Cc1nc(-c2nnn[n-]2)c(N=NC(C)C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC000824391709 608750027 /nfs/dbraw/zinc/75/00/27/608750027.db2.gz JRCSBZCYBMHXJR-MRVPVSSYSA-N -1 0 364.410 2.254 20 30 FEEDRM CCc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc(OCC#N)c2)cc1 ZINC000810671376 674556313 /nfs/dbraw/zinc/55/63/13/674556313.db2.gz DTBOLOBLDQWKHT-UHFFFAOYSA-N -1 0 358.419 2.199 20 30 FEEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1 ZINC000810783809 674561838 /nfs/dbraw/zinc/56/18/38/674561838.db2.gz FSTIWMZKUOCIJC-UHFFFAOYSA-N -1 0 373.858 2.466 20 30 FEEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cnn(-c2cccc(C)c2)c1CCC ZINC000810783360 674561913 /nfs/dbraw/zinc/56/19/13/674561913.db2.gz MCZFLCNDIWZBAI-UHFFFAOYSA-N -1 0 359.451 2.216 20 30 FEEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 ZINC000810983341 674572042 /nfs/dbraw/zinc/57/20/42/674572042.db2.gz QSIDPZJDLDPRCT-UHFFFAOYSA-N -1 0 359.407 2.419 20 30 FEEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)n(-c3ccc(F)cc3)n2)CC1 ZINC000810985039 674572278 /nfs/dbraw/zinc/57/22/78/674572278.db2.gz VLUQHVYHYHJCDB-UHFFFAOYSA-N -1 0 363.414 2.488 20 30 FEEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)oc1C ZINC000811830265 674631822 /nfs/dbraw/zinc/63/18/22/674631822.db2.gz HFQAWNVPJOKNDB-UHFFFAOYSA-N -1 0 355.759 2.096 20 30 FEEDRM C#CCONC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000812786810 674697788 /nfs/dbraw/zinc/69/77/88/674697788.db2.gz WCOMNYQAINDYDJ-UHFFFAOYSA-N -1 0 362.382 2.230 20 30 FEEDRM C[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1cccc(Br)c1 ZINC000813080199 674717024 /nfs/dbraw/zinc/71/70/24/674717024.db2.gz CSYSLOWTCBEOFV-SNVBAGLBSA-N -1 0 359.245 2.302 20 30 FEEDRM CC[C@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813978239 674800843 /nfs/dbraw/zinc/80/08/43/674800843.db2.gz CMAIVBJSOQLOAP-HNNXBMFYSA-N -1 0 361.448 2.329 20 30 FEEDRM N#Cc1cncc(S(=O)(=O)[N-]C(=O)CSc2ccc3c(c2)CCC3)c1 ZINC000813985301 674803263 /nfs/dbraw/zinc/80/32/63/674803263.db2.gz VIAGTYFXJITMQB-UHFFFAOYSA-N -1 0 373.459 2.039 20 30 FEEDRM Cc1oc2ccccc2c1CC(=O)[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000813984659 674803297 /nfs/dbraw/zinc/80/32/97/674803297.db2.gz WGAPKCRRVYCSNI-UHFFFAOYSA-N -1 0 355.375 2.056 20 30 FEEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2COc3ccc(F)cc3C2)cc1C#N ZINC000562910821 674821452 /nfs/dbraw/zinc/82/14/52/674821452.db2.gz BTKFIHCGLPKTLI-GFCCVEGCSA-N -1 0 359.382 2.253 20 30 FEEDRM O=c1[n-][nH]c(=O)n1N=Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000814232120 674827520 /nfs/dbraw/zinc/82/75/20/674827520.db2.gz WDEKTEXRQBAORM-QMMMGPOBSA-N -1 0 370.209 2.444 20 30 FEEDRM C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNC(=S)NCc1ccc2c(c1)OCO2 ZINC000814735988 674877413 /nfs/dbraw/zinc/87/74/13/674877413.db2.gz LEHYZKWPRSNLAD-PWSUYJOCSA-N -1 0 363.439 2.256 20 30 FEEDRM O=C([O-])c1cccc(C=NNS(=O)(=O)Cc2ccccc2)c1Cl ZINC000814816854 674881805 /nfs/dbraw/zinc/88/18/05/674881805.db2.gz ZHBIYQDVKGKZNF-UHFFFAOYSA-N -1 0 352.799 2.492 20 30 FEEDRM CC(CC1(C(=O)[O-])CCC1)=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000814821860 674882243 /nfs/dbraw/zinc/88/22/43/674882243.db2.gz AZBIUJCREABUNR-UHFFFAOYSA-N -1 0 369.399 2.035 20 30 FEEDRM CC1(CN=Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)COC1 ZINC000814863394 674884811 /nfs/dbraw/zinc/88/48/11/674884811.db2.gz MHBOQDAITNQVDN-UHFFFAOYSA-N -1 0 352.441 2.378 20 30 FEEDRM C=CCC(F)(F)C(=O)Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000815086928 674915150 /nfs/dbraw/zinc/91/51/50/674915150.db2.gz QPLYARQCCHBKKU-UHFFFAOYSA-N -1 0 374.394 2.489 20 30 FEEDRM C=CCOC[C@H](NC(=O)N[C@@H]1C[C@@H](OCC)C12CCCCC2)C(=O)[O-] ZINC000563772210 674938003 /nfs/dbraw/zinc/93/80/03/674938003.db2.gz GEJJXUHWXPELNJ-RRFJBIMHSA-N -1 0 354.447 2.069 20 30 FEEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(Br)cc(N(C)C)c1 ZINC000815909057 674983964 /nfs/dbraw/zinc/98/39/64/674983964.db2.gz PYORQTQAKLCYCK-ZDUSSCGKSA-N -1 0 350.216 2.140 20 30 FEEDRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000815947084 674988193 /nfs/dbraw/zinc/98/81/93/674988193.db2.gz PENLEUHCRGOKJR-VIFPVBQESA-N -1 0 363.361 2.468 20 30 FEEDRM Cc1ncc(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1C#N ZINC000564274370 674989743 /nfs/dbraw/zinc/98/97/43/674989743.db2.gz IMXUYFFWNPIYEV-UHFFFAOYSA-N -1 0 353.306 2.039 20 30 FEEDRM Cc1cc(C#N)cnc1C(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000816004274 674995424 /nfs/dbraw/zinc/99/54/24/674995424.db2.gz VCOCIAIZIUOWTH-UHFFFAOYSA-N -1 0 359.407 2.168 20 30 FEEDRM N#CC1(CS(=O)(=O)[N-]C(=O)Cc2c[nH]c3cccc(Cl)c23)CC1 ZINC000816014649 674996917 /nfs/dbraw/zinc/99/69/17/674996917.db2.gz IQVPOTKAONWCPP-UHFFFAOYSA-N -1 0 351.815 2.114 20 30 FEEDRM CC[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N ZINC000816127001 675019209 /nfs/dbraw/zinc/01/92/09/675019209.db2.gz CLGYXUUUNFNJSX-BXUZGUMPSA-N -1 0 365.411 2.488 20 30 FEEDRM C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000816127729 675019226 /nfs/dbraw/zinc/01/92/26/675019226.db2.gz GQPNSCFYMPVTJG-QWRGUYRKSA-N -1 0 351.384 2.098 20 30 FEEDRM Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000816130551 675020649 /nfs/dbraw/zinc/02/06/49/675020649.db2.gz QIMNXCSJJAUPJP-UHFFFAOYSA-N -1 0 363.326 2.033 20 30 FEEDRM N#Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)n[nH]c1C1CC1 ZINC000564559463 675036595 /nfs/dbraw/zinc/03/65/95/675036595.db2.gz TWLQYEWPMCDZPB-UHFFFAOYSA-N -1 0 356.407 2.479 20 30 FEEDRM Cc1ncc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C#N ZINC000564769606 675059598 /nfs/dbraw/zinc/05/95/98/675059598.db2.gz OIRRLLXONPWBKN-BDJLRTHQSA-N -1 0 359.407 2.002 20 30 FEEDRM CN(CC(=O)[N-]S(=O)(=O)c1ccccc1F)C(=O)c1cccs1 ZINC000048592734 670268660 /nfs/dbraw/zinc/26/86/60/670268660.db2.gz DZPHGKIEHBPLGS-UHFFFAOYSA-N -1 0 356.400 2.305 20 30 FEEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-n3cccn3)cc2)c1 ZINC000048598872 670269070 /nfs/dbraw/zinc/26/90/70/670269070.db2.gz CYWRZFLTYHDYDM-UHFFFAOYSA-N -1 0 352.375 2.437 20 30 FEEDRM CCCc1cc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1 ZINC000054492747 670337435 /nfs/dbraw/zinc/33/74/35/670337435.db2.gz DPTIRVMTONYNDY-UHFFFAOYSA-N -1 0 356.335 2.103 20 30 FEEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000057125675 670366525 /nfs/dbraw/zinc/36/65/25/670366525.db2.gz GPXGUKZFVLPRRY-UHFFFAOYSA-N -1 0 354.819 2.453 20 30 FEEDRM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000060506664 670386401 /nfs/dbraw/zinc/38/64/01/670386401.db2.gz WRQMTEMAUAXTHQ-UHFFFAOYSA-N -1 0 368.336 2.002 20 30 FEEDRM CCc1ncc(C(=O)[N-]S(=O)(=O)c2cccc3nsnc32)s1 ZINC000065042203 670428950 /nfs/dbraw/zinc/42/89/50/670428950.db2.gz JRTVBJHHMBSJJN-UHFFFAOYSA-N -1 0 354.438 2.404 20 30 FEEDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C ZINC000066003446 670436287 /nfs/dbraw/zinc/43/62/87/670436287.db2.gz UICDRBUIBKBDQY-UHFFFAOYSA-N -1 0 373.500 2.208 20 30 FEEDRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000073087621 670499652 /nfs/dbraw/zinc/49/96/52/670499652.db2.gz YOFCNZVZXHBNEM-MRVPVSSYSA-N -1 0 361.782 2.325 20 30 FEEDRM C#CCOc1ccc(C(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000076807597 670554915 /nfs/dbraw/zinc/55/49/15/670554915.db2.gz DVZJARTTWYBIEY-UHFFFAOYSA-N -1 0 358.419 2.380 20 30 FEEDRM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1cnn(C)c1 ZINC000076768728 670554973 /nfs/dbraw/zinc/55/49/73/670554973.db2.gz YZPRIHLUFUBLBI-JTQLQIEISA-N -1 0 353.375 2.114 20 30 FEEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(F)ccc1Br ZINC000569431524 670558628 /nfs/dbraw/zinc/55/86/28/670558628.db2.gz JTVOMCUFDXLRDQ-SECBINFHSA-N -1 0 366.208 2.286 20 30 FEEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)C(C)C)c(F)c1 ZINC000080667335 670627550 /nfs/dbraw/zinc/62/75/50/670627550.db2.gz UZAPUKOCLBHABA-ZDUSSCGKSA-N -1 0 356.419 2.426 20 30 FEEDRM CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)CCSc1ccccc1 ZINC000092715481 670744277 /nfs/dbraw/zinc/74/42/77/670744277.db2.gz MTNBVCANMFASIC-UHFFFAOYSA-N -1 0 353.469 2.409 20 30 FEEDRM CC1(C)CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H](C(=O)[O-])C1 ZINC000565635348 675138357 /nfs/dbraw/zinc/13/83/57/675138357.db2.gz XEBQBZOOOOYLLO-LBPRGKRZSA-N -1 0 356.831 2.476 20 30 FEEDRM COc1cccc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000106982055 670816239 /nfs/dbraw/zinc/81/62/39/670816239.db2.gz SEXSZHUOXNEZJH-SJORKVTESA-N -1 0 356.403 2.175 20 30 FEEDRM C=CCSCCNC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1OC ZINC000571383613 670865599 /nfs/dbraw/zinc/86/55/99/670865599.db2.gz IQBXEHSVZLMYON-AWEZNQCLSA-N -1 0 354.428 2.048 20 30 FEEDRM Cc1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114988581 670894961 /nfs/dbraw/zinc/89/49/61/670894961.db2.gz BUHGMFXZQMYUKV-AWEZNQCLSA-N -1 0 358.419 2.448 20 30 FEEDRM N#Cc1c[n-]c(=O)n(CCCCOc2ccccc2C(F)(F)F)c1=O ZINC000571799252 670926682 /nfs/dbraw/zinc/92/66/82/670926682.db2.gz FAHZIXBKLHBZFW-UHFFFAOYSA-N -1 0 353.300 2.286 20 30 FEEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])s1 ZINC000572044519 670955422 /nfs/dbraw/zinc/95/54/22/670955422.db2.gz IDCNZXQFFKXAOO-WDEREUQCSA-N -1 0 357.457 2.062 20 30 FEEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1C ZINC000572079067 670958441 /nfs/dbraw/zinc/95/84/41/670958441.db2.gz HYCMAEAPZWQUAM-UHFFFAOYSA-N -1 0 355.217 2.462 20 30 FEEDRM COc1ccc([C@@H](CCC(=O)[O-])NS(=O)(=O)CC2(CC#N)CC2)cc1 ZINC000572369240 670994130 /nfs/dbraw/zinc/99/41/30/670994130.db2.gz ZPMFKEUTIRUEDH-OAHLLOKOSA-N -1 0 366.439 2.214 20 30 FEEDRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1(F)F ZINC000817712574 675163995 /nfs/dbraw/zinc/16/39/95/675163995.db2.gz MJOWCOMPWNTQGI-NSHDSACASA-N -1 0 368.283 2.427 20 30 FEEDRM C=CCOC[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000573321734 671108788 /nfs/dbraw/zinc/10/87/88/671108788.db2.gz ZHEKLYRUUCVKBH-GFCCVEGCSA-N -1 0 368.238 2.069 20 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671397452 /nfs/dbraw/zinc/39/74/52/671397452.db2.gz LZPNHKNKSRYCCG-OAHLLOKOSA-N -1 0 365.455 2.016 20 30 FEEDRM Cn1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)nc2)n1 ZINC000608955120 675907703 /nfs/dbraw/zinc/90/77/03/675907703.db2.gz SNSNQAFUZAYOEO-UHFFFAOYSA-N -1 0 355.379 2.280 20 30 FEEDRM C=CCC[C@H](NS(=O)(=O)N(C)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000577735252 671617107 /nfs/dbraw/zinc/61/71/07/671617107.db2.gz HSRCDZCANBRIPX-ZDUSSCGKSA-N -1 0 364.826 2.165 20 30 FEEDRM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000578230535 671650569 /nfs/dbraw/zinc/65/05/69/671650569.db2.gz NMBMXEYWWJOJRZ-SECBINFHSA-N -1 0 353.318 2.125 20 30 FEEDRM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000578975812 671702736 /nfs/dbraw/zinc/70/27/36/671702736.db2.gz DLJGETQLEDJZQR-UHFFFAOYSA-N -1 0 353.407 2.463 20 30 FEEDRM COc1cccc(C(F)(F)C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)n1 ZINC000579876094 671767146 /nfs/dbraw/zinc/76/71/46/671767146.db2.gz RYWFFDPYUNOBQY-UHFFFAOYSA-N -1 0 367.377 2.173 20 30 FEEDRM 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PBUHOVNSBQFXDR-LSDHHAIUSA-N -1 0 360.414 2.309 20 30 FEEDRM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)c1C ZINC000740248059 603254453 /nfs/dbraw/zinc/25/44/53/603254453.db2.gz ZSIDYJLAJKUBAB-CQSZACIVSA-N -1 0 353.382 2.299 20 30 FEEDRM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)CC1 ZINC000831070585 603260328 /nfs/dbraw/zinc/26/03/28/603260328.db2.gz OKRWPEDDNVLEHE-INIZCTEOSA-N -1 0 368.393 2.070 20 30 FEEDRM N#C[C@@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccc(OC(F)(F)F)cc1 ZINC000740303931 603308563 /nfs/dbraw/zinc/30/85/63/603308563.db2.gz NOTXPZMYVRCQGZ-ZYHUDNBSSA-N -1 0 357.288 2.266 20 30 FEEDRM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000738616781 603364678 /nfs/dbraw/zinc/36/46/78/603364678.db2.gz QJIZGJMXQZQWEW-KGLIPLIRSA-N -1 0 362.405 2.145 20 30 FEEDRM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)Nc1cccc(OCC#N)c1 ZINC000826127706 603467506 /nfs/dbraw/zinc/46/75/06/603467506.db2.gz WIMPKJBZOFVALD-FZMZJTMJSA-N -1 0 362.386 2.214 20 30 FEEDRM C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CCC[C@@H]3CNC(=O)[O-])cc2C1=O ZINC000823506025 603516897 /nfs/dbraw/zinc/51/68/97/603516897.db2.gz AZKPCFBFPSHJHB-DOMZBBRYSA-N -1 0 372.377 2.062 20 30 FEEDRM C=CCOc1ccc(/C=C/C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)cc1OC ZINC000823516913 603529203 /nfs/dbraw/zinc/52/92/03/603529203.db2.gz YGESERRPMWQSKX-PMGBHYCQSA-N -1 0 360.410 2.484 20 30 FEEDRM N#Cc1cccc(OC2CCN(C(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)CC2)c1 ZINC000831152804 603572897 /nfs/dbraw/zinc/57/28/97/603572897.db2.gz NHCWHWFITFZGRM-LSDHHAIUSA-N -1 0 357.410 2.364 20 30 FEEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cc(Br)ccc1Cl ZINC000831087891 603600935 /nfs/dbraw/zinc/60/09/35/603600935.db2.gz TVAQCXAFCIGNDS-SECBINFHSA-N -1 0 372.606 2.430 20 30 FEEDRM Cc1nc(CCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)oc1-c1ccccc1 ZINC000830741884 603601674 /nfs/dbraw/zinc/60/16/74/603601674.db2.gz UMAXNZMUHJNKJM-OAHLLOKOSA-N -1 0 368.393 2.297 20 30 FEEDRM N#Cc1ccccc1N1CCC(NC(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000831152478 603604400 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358.394 2.314 20 30 FEEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000737451591 600631211 /nfs/dbraw/zinc/63/12/11/600631211.db2.gz QSISRUDBEXCYNH-UHFFFAOYSA-N -1 0 359.411 2.481 20 30 FEEDRM C=CCOc1ccccc1CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736114507 600650635 /nfs/dbraw/zinc/65/06/35/600650635.db2.gz VEHCRGSKWZZYTG-UHFFFAOYSA-N -1 0 361.419 2.357 20 30 FEEDRM COC(=O)[C@@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1ccc(C#N)cc1 ZINC000831085160 600733437 /nfs/dbraw/zinc/73/34/37/600733437.db2.gz WYWUHQHLNAVDDR-HNNXBMFYSA-N -1 0 370.317 2.425 20 30 FEEDRM Cc1oc(C=Nn2c(-c3cnn(C)c3)csc2=NC2CC2)cc1C(=O)[O-] ZINC000738970905 600765114 /nfs/dbraw/zinc/76/51/14/600765114.db2.gz WIGZJYHPTODSNJ-UHFFFAOYSA-N -1 0 371.422 2.495 20 30 FEEDRM Cc1ccc(S(=O)(=O)N(CCC#N)Cc2cccnc2)cc1C(=O)[O-] ZINC000326747725 600767315 /nfs/dbraw/zinc/76/73/15/600767315.db2.gz KYLMNVIPGJFZCF-UHFFFAOYSA-N -1 0 359.407 2.193 20 30 FEEDRM O=C([O-])[C@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CCO1 ZINC000833192357 601147278 /nfs/dbraw/zinc/14/72/78/601147278.db2.gz BQKJYVIQMYAWNI-GOSISDBHSA-N -1 0 350.374 2.404 20 30 FEEDRM O=C([O-])CCCNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000833227063 601167494 /nfs/dbraw/zinc/16/74/94/601167494.db2.gz JNAASZWWDINVSK-UHFFFAOYSA-N -1 0 350.374 2.006 20 30 FEEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2cccc(C#N)c2)cc1OC ZINC000832231110 601276714 /nfs/dbraw/zinc/27/67/14/601276714.db2.gz NMWLYDQCTCFNQL-MRXNPFEDSA-N -1 0 368.389 2.450 20 30 FEEDRM Cc1oc(CN(C)[C@H]2CCN(c3sccc3C#N)C2=O)cc1C(=O)[O-] ZINC000833025897 601310937 /nfs/dbraw/zinc/31/09/37/601310937.db2.gz WAORBTMZMLWODA-AWEZNQCLSA-N -1 0 359.407 2.457 20 30 FEEDRM Cc1ncc(CN2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)s1 ZINC000833008663 601315483 /nfs/dbraw/zinc/31/54/83/601315483.db2.gz OKRRTBYTMXMAPP-KRWDZBQOSA-N -1 0 356.451 2.267 20 30 FEEDRM CCC[C@@](C)(NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-] ZINC000829202073 601332486 /nfs/dbraw/zinc/33/24/86/601332486.db2.gz JSVYKYYCPPOMOY-CYBMUJFWSA-N -1 0 364.345 2.499 20 30 FEEDRM CC(=O)N[C@@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000825863781 601343211 /nfs/dbraw/zinc/34/32/11/601343211.db2.gz OHGVNAVNPUXIML-HKUYNNGSSA-N -1 0 366.373 2.495 20 30 FEEDRM CC(=O)N[C@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000825863785 601343260 /nfs/dbraw/zinc/34/32/60/601343260.db2.gz OHGVNAVNPUXIML-MJGOQNOKSA-N -1 0 366.373 2.495 20 30 FEEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(Cn3cncn3)cc2)C(=O)[O-])c1 ZINC000833077704 601346304 /nfs/dbraw/zinc/34/63/04/601346304.db2.gz ZHZRFCMIVPKXGU-KRWDZBQOSA-N -1 0 362.345 2.181 20 30 FEEDRM CCOC(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)nc1C ZINC000829877874 601348079 /nfs/dbraw/zinc/34/80/79/601348079.db2.gz AOXYNQNRBXSURN-INIZCTEOSA-N -1 0 368.345 2.421 20 30 FEEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(N3CCOC3=O)c2)C(=O)[O-])c1 ZINC000833076036 601349776 /nfs/dbraw/zinc/34/97/76/601349776.db2.gz GYLVEQVIWHVLNH-MRXNPFEDSA-N -1 0 366.329 2.498 20 30 FEEDRM CCC[C@H](C)N1C[C@@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CC1=O ZINC000829216657 601349951 /nfs/dbraw/zinc/34/99/51/601349951.db2.gz QSVVIMMOXUILCN-NUTKFTJISA-N -1 0 358.394 2.264 20 30 FEEDRM COc1ccc(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000832287242 601351916 /nfs/dbraw/zinc/35/19/16/601351916.db2.gz JPPDSQJTKGAVCJ-KRWDZBQOSA-N -1 0 370.317 2.387 20 30 FEEDRM N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000833069805 601362688 /nfs/dbraw/zinc/36/26/88/601362688.db2.gz RPJODLZTTLYKKI-GFCCVEGCSA-N -1 0 361.354 2.030 20 30 FEEDRM Cc1cc(C(=O)CN(CC#N)CC(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000832858823 601381236 /nfs/dbraw/zinc/38/12/36/601381236.db2.gz GYPLOLNGJBYHTO-UHFFFAOYSA-N -1 0 357.385 2.385 20 30 FEEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000833065297 601385392 /nfs/dbraw/zinc/38/53/92/601385392.db2.gz XQEZVZFKENQUJT-GOEBONIOSA-N -1 0 359.407 2.173 20 30 FEEDRM O=C([O-])c1ccc(CN=Nc2nc(Br)cn3ccnc23)o1 ZINC000833312590 601387218 /nfs/dbraw/zinc/38/72/18/601387218.db2.gz FLRMWLKGAGVSKR-UHFFFAOYSA-N -1 0 350.132 2.229 20 30 FEEDRM C[C@H](C#N)C(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000825967237 601441427 /nfs/dbraw/zinc/44/14/27/601441427.db2.gz RQQWPYFDWBWZAG-AMIZOPFISA-N -1 0 364.199 2.202 20 30 FEEDRM C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000825653411 601763907 /nfs/dbraw/zinc/76/39/07/601763907.db2.gz KWYBEIZCAUMQAV-CQSZACIVSA-N -1 0 362.385 2.414 20 30 FEEDRM N#Cc1cc(F)ccc1S(=O)(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000833069810 601797516 /nfs/dbraw/zinc/79/75/16/601797516.db2.gz RTPYIMZXZYZTNX-INIZCTEOSA-N -1 0 360.366 2.070 20 30 FEEDRM C[C@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000828353940 601803581 /nfs/dbraw/zinc/80/35/81/601803581.db2.gz CDSFKJZSDNVMJX-FZMZJTMJSA-N -1 0 354.328 2.419 20 30 FEEDRM C=CCn1c(-c2cccnc2)nn(CN2CC[C@H](CNC(=O)[O-])C2)c1=S ZINC000738502997 601915461 /nfs/dbraw/zinc/91/54/61/601915461.db2.gz LAMJGMCTUDXAST-CYBMUJFWSA-N -1 0 374.470 2.209 20 30 FEEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739036929 601991387 /nfs/dbraw/zinc/99/13/87/601991387.db2.gz FXFIGPXHYSWUID-ZYHUDNBSSA-N -1 0 371.846 2.268 20 30 FEEDRM N#Cc1cc(S(=O)(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])ccc1F ZINC000547938631 601993155 /nfs/dbraw/zinc/99/31/55/601993155.db2.gz ZHEKHEUFINHQFV-DZGCQCFKSA-N -1 0 354.403 2.399 20 30 FEEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)c1C#N ZINC000826304024 607538364 /nfs/dbraw/zinc/53/83/64/607538364.db2.gz RPNXMSOAHLWDHK-UHFFFAOYSA-N -1 0 354.395 2.156 20 30 FEEDRM C=CCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000570393965 602204387 /nfs/dbraw/zinc/20/43/87/602204387.db2.gz XRTMLQQWXOBTKQ-GFCCVEGCSA-N -1 0 362.245 2.460 20 30 FEEDRM C[C@@H](OC(=O)c1cnccc1C(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000827873859 602287438 /nfs/dbraw/zinc/28/74/38/602287438.db2.gz RGGDHYPSYSOTPQ-SECBINFHSA-N -1 0 373.752 2.489 20 30 FEEDRM O=C([O-])N1CSC[C@@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000740404159 602367240 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20 30 FEEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)n(C(C)C)n2)c1 ZINC000421172276 559528561 /nfs/dbraw/zinc/52/85/61/559528561.db2.gz JDJQTRUFTYCUIB-UHFFFAOYSA-N -1 0 362.455 2.489 20 30 FEEDRM CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)[O-] ZINC000422665192 559601244 /nfs/dbraw/zinc/60/12/44/559601244.db2.gz VOWAVGHJPUYZKL-RISCZKNCSA-N -1 0 363.439 2.245 20 30 FEEDRM CCCC[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)C(=O)[O-] ZINC000422668428 559601556 /nfs/dbraw/zinc/60/15/56/559601556.db2.gz DPGRDEHWHCIOEJ-ZDUSSCGKSA-N -1 0 363.439 2.390 20 30 FEEDRM CC(C)(C)c1csc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1C#N ZINC000422684067 559602573 /nfs/dbraw/zinc/60/25/73/559602573.db2.gz FRSFYLHCMPRSBZ-QGZVFWFLSA-N -1 0 363.439 2.179 20 30 FEEDRM CSc1[n-]c(=O)c(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)cc1C#N ZINC000425335121 559697247 /nfs/dbraw/zinc/69/72/47/559697247.db2.gz ZBVGRHMYOOPMHY-ZFWWWQNUSA-N -1 0 355.419 2.329 20 30 FEEDRM N#Cc1ncn(-c2ccccc2NC(=O)c2nn(-c3ccccc3)cc2[O-])n1 ZINC000426797949 559742130 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