smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(/C=N\Nc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000033148357 202251664 /nfs/dbraw/zinc/25/16/64/202251664.db2.gz LASWHFNKSKTBGH-PDGQHHTCSA-N 0 1 329.404 1.376 50 30 EDEAMN Cc1nc([C@H]2CN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CCO2)n[nH]1 ZINC000076045350 202378862 /nfs/dbraw/zinc/37/88/62/202378862.db2.gz JHCVZKSDUJCNRD-XHDPSFHLSA-N 0 1 341.371 1.352 50 30 EDEAMN C#CCOc1ccccc1NC(=O)N1CCOC[C@@H]1c1nnc[nH]1 ZINC000225479480 205081503 /nfs/dbraw/zinc/08/15/03/205081503.db2.gz ZTESCOPIAYMHBY-CYBMUJFWSA-N 0 1 327.344 1.422 50 30 EDEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccncc1 ZINC000006812697 441017370 /nfs/dbraw/zinc/01/73/70/441017370.db2.gz GJBMAWFZEFHANN-DPEHCCBOSA-N 0 1 341.367 1.658 50 30 EDEAMN CC[C@H](CO)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083214144 441354949 /nfs/dbraw/zinc/35/49/49/441354949.db2.gz WJLXICVXCRWMIB-HUUCEWRRSA-N 0 1 348.472 1.114 50 30 EDEAMN C=CCNC(=O)CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000065565748 441461056 /nfs/dbraw/zinc/46/10/56/441461056.db2.gz IYDCICPXQGXJFF-CQSZACIVSA-N 0 1 348.422 1.961 50 30 EDEAMN CC(C)CCS(=O)(=O)CC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053527777 441528351 /nfs/dbraw/zinc/52/83/51/441528351.db2.gz KBCRIFSYHUNZKV-UHFFFAOYSA-N 0 1 337.405 1.916 50 30 EDEAMN CCCc1nc([C@H]2CN(C(=O)c3ccc(C#N)cn3)CCO2)n[nH]1 ZINC000076046071 441583127 /nfs/dbraw/zinc/58/31/27/441583127.db2.gz QJUWAGJGPCSUFY-CYBMUJFWSA-N 0 1 326.360 1.238 50 30 EDEAMN CCCc1n[nH]c([C@H]2CN(C(=O)c3ccc(C#N)cn3)CCO2)n1 ZINC000076046071 441583132 /nfs/dbraw/zinc/58/31/32/441583132.db2.gz QJUWAGJGPCSUFY-CYBMUJFWSA-N 0 1 326.360 1.238 50 30 EDEAMN CCC#CCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1 ZINC000077301602 441750924 /nfs/dbraw/zinc/75/09/24/441750924.db2.gz DEWLDSQCUYIJEW-UHFFFAOYSA-N 0 1 331.464 1.240 50 30 EDEAMN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC(N2CCCC2=O)CC1 ZINC000329862611 444745344 /nfs/dbraw/zinc/74/53/44/444745344.db2.gz RGLYSRFTRLAXCG-ZDUSSCGKSA-N 0 1 331.420 1.268 50 30 EDEAMN C=CCn1c(CN)nnc1SC[C@@H]1Cc2c(nc(C)nc2C)O1 ZINC000426552054 447469814 /nfs/dbraw/zinc/46/98/14/447469814.db2.gz RSAZWAQJVOLHHB-NSHDSACASA-N 0 1 332.433 1.425 50 30 EDEAMN CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019790132 202020984 /nfs/dbraw/zinc/02/09/84/202020984.db2.gz JWCPQSDWUQRUSN-AWEZNQCLSA-N 0 1 333.344 1.441 50 30 EDEAMN Cn1cc([C@@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)cn1 ZINC000229559333 201044090 /nfs/dbraw/zinc/04/40/90/201044090.db2.gz NKFDCSSWAGZTLE-AEFFLSMTSA-N 0 1 326.400 1.869 50 30 EDEAMN C#C[C@](C)(CC)OC[C@@H](O)CN1CCN(c2ccccc2OC)CC1 ZINC000012421447 207143475 /nfs/dbraw/zinc/14/34/75/207143475.db2.gz CTZJGHWESIGKAA-FXAWDEMLSA-N 0 1 346.471 1.997 50 30 EDEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000006659945 303148176 /nfs/dbraw/zinc/14/81/76/303148176.db2.gz JMKLQBRZYXNQTQ-VVMFYBRISA-N 0 1 335.410 1.202 50 30 EDEAMN CN(CCC#N)C(=O)CN1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000058406198 441191612 /nfs/dbraw/zinc/19/16/12/441191612.db2.gz ODVWQWCTGQWBEE-UHFFFAOYSA-N 0 1 338.452 1.595 50 30 EDEAMN C=CCN1CC[C@@]2(CN(c3cccc(C#N)n3)CC[N@@H+]2C)CCC1=O ZINC000107415590 441415562 /nfs/dbraw/zinc/41/55/62/441415562.db2.gz WOZSJHJJGJAXTL-LJQANCHMSA-N 0 1 339.443 1.642 50 30 EDEAMN CN1C(=O)N[C@@](C)([C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)C1=O ZINC000076058997 441589680 /nfs/dbraw/zinc/58/96/80/441589680.db2.gz BERFHAKWEOAQEX-KSSFIOAISA-N 0 1 344.390 1.850 50 30 EDEAMN CCCc1cc(C(=O)N2CCCN(c3ncccc3C#N)CC2)n[nH]1 ZINC000056353157 441705784 /nfs/dbraw/zinc/70/57/84/441705784.db2.gz ZMTKYYKRYXXLLN-UHFFFAOYSA-N 0 1 338.415 1.981 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3N(C)C)C[C@]2(C(=O)[O-])C1 ZINC000096139810 442043709 /nfs/dbraw/zinc/04/37/09/442043709.db2.gz RPGHPWCUCCIMJW-AUUYWEPGSA-N 0 1 343.427 1.397 50 30 EDEAMN COC(=O)C(C(=O)CSc1nnc(C)[nH]1)=C1Nc2ccccc2N1 ZINC000031794006 522745086 /nfs/dbraw/zinc/74/50/86/522745086.db2.gz SWJPEBAPWJYKPN-UHFFFAOYSA-N 0 1 345.384 1.697 50 30 EDEAMN COC(=O)C(C(=O)CSc1nc(C)n[nH]1)=C1Nc2ccccc2N1 ZINC000031794006 522745092 /nfs/dbraw/zinc/74/50/92/522745092.db2.gz SWJPEBAPWJYKPN-UHFFFAOYSA-N 0 1 345.384 1.697 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(C(=O)NCCc3ccccc3)C[C@]2(C(=O)[O-])C1 ZINC000092002641 218101910 /nfs/dbraw/zinc/10/19/10/218101910.db2.gz QMMPFUJCXPLIJY-VQIMIIECSA-N 0 1 343.427 1.443 50 30 EDEAMN C#C[C@](C)(CC)OC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000012421443 207143982 /nfs/dbraw/zinc/14/39/82/207143982.db2.gz RNDBEXZLKHMCHR-AZUAARDMSA-N 0 1 346.471 1.997 50 30 EDEAMN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000069952067 441096836 /nfs/dbraw/zinc/09/68/36/441096836.db2.gz HNFKXNZYPPTZBE-IAGOWNOFSA-N 0 1 346.475 1.804 50 30 EDEAMN O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)cc1)c1ccccc1 ZINC000012338703 441132012 /nfs/dbraw/zinc/13/20/12/441132012.db2.gz SSYKQUDPASWBDC-INIZCTEOSA-N 0 1 339.347 1.963 50 30 EDEAMN N#Cc1cccnc1NC[C@H]1CCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000065475329 441442435 /nfs/dbraw/zinc/44/24/35/441442435.db2.gz PIGJNFIRBBJHHK-PBHICJAKSA-N 0 1 335.411 1.914 50 30 EDEAMN Cc1noc([C@@H]2CCCN(C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000052862293 441482277 /nfs/dbraw/zinc/48/22/77/441482277.db2.gz HGACTLXXQHSRKL-CVEARBPZSA-N 0 1 342.399 1.869 50 30 EDEAMN COc1ccc(CNC(=O)CON=C(N)CN2CCCC[C@H]2C)cc1 ZINC000065552490 441456905 /nfs/dbraw/zinc/45/69/05/441456905.db2.gz MEXOGKLGBKFPNF-CQSZACIVSA-N 0 1 348.447 1.475 50 30 EDEAMN N#CC1(CS(=O)(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000095944259 441955887 /nfs/dbraw/zinc/95/58/87/441955887.db2.gz YDGGCHOBOVONDB-INIZCTEOSA-N 0 1 333.457 1.874 50 30 EDEAMN Cc1nc([C@@H]2CN(CC(=O)NC3(C#N)CCCCCC3)CCO2)n[nH]1 ZINC000078892382 441987061 /nfs/dbraw/zinc/98/70/61/441987061.db2.gz KYCANLDFLOVHAQ-AWEZNQCLSA-N 0 1 346.435 1.219 50 30 EDEAMN Cn1cc(CN2CCCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)cn1 ZINC000097144814 442175988 /nfs/dbraw/zinc/17/59/88/442175988.db2.gz JWPPKQGERAJWSF-UHFFFAOYSA-N 0 1 340.387 1.912 50 30 EDEAMN C[C@@H](CN1CCCCC1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000195574152 443034558 /nfs/dbraw/zinc/03/45/58/443034558.db2.gz OEBZROBJYMFOAU-ZDUSSCGKSA-N 0 1 339.436 1.991 50 30 EDEAMN Cc1[nH]c(=O)c(C#N)cc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000223842522 443095271 /nfs/dbraw/zinc/09/52/71/443095271.db2.gz XIZYLSACSKWNIA-RBOXIYTFSA-N 0 1 338.367 1.192 50 30 EDEAMN Cc1nc(NC(=O)N2CCC(C(=O)NCc3ccco3)CC2)n[nH]1 ZINC000023399172 526478527 /nfs/dbraw/zinc/47/85/27/526478527.db2.gz SCJJZOIWXUUHRN-UHFFFAOYSA-N 0 1 332.364 1.280 50 30 EDEAMN Cc1n[nH]c(NC(=O)N2CCC(C(=O)NCc3ccco3)CC2)n1 ZINC000023399172 526478533 /nfs/dbraw/zinc/47/85/33/526478533.db2.gz SCJJZOIWXUUHRN-UHFFFAOYSA-N 0 1 332.364 1.280 50 30 EDEAMN C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@@H+](C)Cc1snnc1C)C2 ZINC000067673025 202222686 /nfs/dbraw/zinc/22/26/86/202222686.db2.gz DGDCJRKARJBRJT-LLVKDONJSA-N 0 1 347.444 1.917 50 30 EDEAMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cccs1 ZINC000023106574 212348774 /nfs/dbraw/zinc/34/87/74/212348774.db2.gz GBMRXBSMYAYNNJ-AWEZNQCLSA-N 0 1 342.424 1.977 50 30 EDEAMN COC(=O)c1n[nH]cc1-c1c(C#N)c(N)nc2c1[C@H]1CC[C@@H](C2)N1C ZINC000071638915 292035692 /nfs/dbraw/zinc/03/56/92/292035692.db2.gz BGKGPEMXNAHOPM-QPUJVOFHSA-N 0 1 338.371 1.404 50 30 EDEAMN CC(C)(C)NC(=O)ONC(=N)c1ccc(NS(C)(=O)=O)cc1 ZINC000003129672 440889417 /nfs/dbraw/zinc/88/94/17/440889417.db2.gz OZXZUPNSASDKCR-UHFFFAOYSA-N 0 1 328.394 1.413 50 30 EDEAMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000048236266 441277072 /nfs/dbraw/zinc/27/70/72/441277072.db2.gz ZSADEPXEBQWUAU-HEHGZKQESA-N 0 1 349.456 1.243 50 30 EDEAMN C=CCNC(=O)[C@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000027543708 441404712 /nfs/dbraw/zinc/40/47/12/441404712.db2.gz MQVJJDFKWSBLBL-HNNXBMFYSA-N 0 1 329.444 1.706 50 30 EDEAMN O=C([O-])c1cc2n(n1)CCC[N@@H+](Cc1ccc(C#CCCO)cc1)C2 ZINC000065528417 441452086 /nfs/dbraw/zinc/45/20/86/441452086.db2.gz CVSKYEFDFALMQU-UHFFFAOYSA-N 0 1 339.395 1.721 50 30 EDEAMN O=C([O-])c1cc2n(n1)CCC[N@H+](Cc1ccc(C#CCCO)cc1)C2 ZINC000065528417 441452092 /nfs/dbraw/zinc/45/20/92/441452092.db2.gz CVSKYEFDFALMQU-UHFFFAOYSA-N 0 1 339.395 1.721 50 30 EDEAMN N#Cc1cccc(OCC(=O)N2CCC(CN3CCOCC3)CC2)c1 ZINC000053569759 441531113 /nfs/dbraw/zinc/53/11/13/441531113.db2.gz RFQGVHZQQCGWOX-UHFFFAOYSA-N 0 1 343.427 1.508 50 30 EDEAMN COc1ccc(-c2nc(NCc3nncn3C)[nH]c(=O)c2C#N)cc1 ZINC000040544170 441628493 /nfs/dbraw/zinc/62/84/93/441628493.db2.gz JCZCPMQXJVNUAP-UHFFFAOYSA-N 0 1 337.343 1.058 50 30 EDEAMN COc1ccc([C@@H]2c3c([nH]c(=S)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 ZINC000221274709 443070256 /nfs/dbraw/zinc/07/02/56/443070256.db2.gz GTTJVGQTQGSPIB-UWVGGRQHSA-N 0 1 328.353 1.665 50 30 EDEAMN COC(=O)[C@]1(C)CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000281915110 444039279 /nfs/dbraw/zinc/03/92/79/444039279.db2.gz AGLAQKBTMOMJKT-VVFCZOMOSA-N 0 1 341.411 1.795 50 30 EDEAMN Cn1nc(C(=O)[O-])c2c1CC[N@H+](Cc1cc(C#CCO)cs1)C2 ZINC000534581930 448454876 /nfs/dbraw/zinc/45/48/76/448454876.db2.gz VXHXMKBTQODDKA-UHFFFAOYSA-N 0 1 331.397 1.082 50 30 EDEAMN Cn1nc(C(=O)[O-])c2c1CC[N@@H+](Cc1cc(C#CCO)cs1)C2 ZINC000534581930 448454880 /nfs/dbraw/zinc/45/48/80/448454880.db2.gz VXHXMKBTQODDKA-UHFFFAOYSA-N 0 1 331.397 1.082 50 30 EDEAMN C#CCN(Cc1cccc(C)n1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000085824040 485543524 /nfs/dbraw/zinc/54/35/24/485543524.db2.gz HTMXPBMDAXPZLD-MRXNPFEDSA-N 0 1 335.473 1.497 50 30 EDEAMN C=CCNC(=O)[C@@H](C)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000058392519 214570560 /nfs/dbraw/zinc/57/05/60/214570560.db2.gz CYEWZGXEFSEALT-CQSZACIVSA-N 0 1 349.500 1.810 50 30 EDEAMN Cc1nc([C@H]2CN(C(=O)CCc3ccc(C#N)cc3)CCO2)n[nH]1 ZINC000076045885 202379536 /nfs/dbraw/zinc/37/95/36/202379536.db2.gz QDRDQDHFBHBMOT-OAHLLOKOSA-N 0 1 325.372 1.518 50 30 EDEAMN CC(C)c1nc(CN(C)[C@H]2CCN(CCn3cc(C#N)cn3)C2)no1 ZINC000076047417 202386300 /nfs/dbraw/zinc/38/63/00/202386300.db2.gz RCIHCXMNNIKDRI-HNNXBMFYSA-N 0 1 343.435 1.467 50 30 EDEAMN CN(Cc1n[nH]c2c1CCC2)C(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000223644303 204191894 /nfs/dbraw/zinc/19/18/94/204191894.db2.gz JUUGFNXXNYIPPS-UHFFFAOYSA-N 0 1 327.384 1.886 50 30 EDEAMN C=CCNC(=O)[C@@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000055028627 258014938 /nfs/dbraw/zinc/01/49/38/258014938.db2.gz KVFFSSAYKNQBJH-CQSZACIVSA-N 0 1 336.480 1.773 50 30 EDEAMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000345547364 143104146 /nfs/dbraw/zinc/10/41/46/143104146.db2.gz UBAIBFFVGLCHEY-CABCVRRESA-N 0 1 325.372 1.598 50 30 EDEAMN C=CCN1C(=O)NC(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O ZINC000000440919 440823059 /nfs/dbraw/zinc/82/30/59/440823059.db2.gz OBJZNZZPRJVDBW-POHAHGRESA-N 0 1 332.312 1.057 50 30 EDEAMN COC(=O)C1=C(O)C2=C(CC1(C)C)N1CCn3cccc3[C@H]1CC2=O ZINC000004027487 440909071 /nfs/dbraw/zinc/90/90/71/440909071.db2.gz BMFKTDSBSRSAPV-MLGOLLRUSA-N 0 1 342.395 1.860 50 30 EDEAMN O=C(Cn1c(=O)[nH]c2ccccc21)Nc1nc(-c2ccccn2)n[nH]1 ZINC000058323180 441178913 /nfs/dbraw/zinc/17/89/13/441178913.db2.gz JLPZGLOAECXLPF-UHFFFAOYSA-N 0 1 335.327 1.798 50 30 EDEAMN CC(C)NC(=O)[C@@H](C#N)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC000101080260 441154418 /nfs/dbraw/zinc/15/44/18/441154418.db2.gz UFTXYPBDSQMOGC-LBPRGKRZSA-N 0 1 343.383 1.377 50 30 EDEAMN C=CCN1CC[C@@]2(C[N@@H+](CCc3cnn(C)c3)CCN2C)CCC1=O ZINC000107423551 441415401 /nfs/dbraw/zinc/41/54/01/441415401.db2.gz JTVPQAQYYQKVEN-LJQANCHMSA-N 0 1 345.491 1.147 50 30 EDEAMN CC(C)CNC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000039934593 441619363 /nfs/dbraw/zinc/61/93/63/441619363.db2.gz OPIAOGBVUKKZKG-UHFFFAOYSA-N 0 1 328.460 1.838 50 30 EDEAMN N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](N3CCCC3)C2)cc1 ZINC000078993102 442004871 /nfs/dbraw/zinc/00/48/71/442004871.db2.gz LMHSYVNTHFBBAE-QGZVFWFLSA-N 0 1 347.484 1.892 50 30 EDEAMN Cc1nc([C@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)n[nH]1 ZINC000076048218 202385555 /nfs/dbraw/zinc/38/55/55/202385555.db2.gz XYQFGFDJDPJFAN-MRXNPFEDSA-N 0 1 327.388 1.827 50 30 EDEAMN Cc1nc(CN2CCCN(CCOc3cccc(C#N)c3)CC2)no1 ZINC000075603204 203320001 /nfs/dbraw/zinc/32/00/01/203320001.db2.gz YGWCTLPGTZHZAN-UHFFFAOYSA-N 0 1 341.415 1.836 50 30 EDEAMN CN(C)c1cc(NN=Cc2ccc([N+](=O)[O-])cc2)nc(N(C)C)n1 ZINC000004551028 440921949 /nfs/dbraw/zinc/92/19/49/440921949.db2.gz BXFWSQVGRWQEEJ-MHWRWJLKSA-N 0 1 329.364 1.963 50 30 EDEAMN Cc1[nH]c(C[N@@H+](C)CCNc2cc([C@H]3CCOC3)ncn2)cc1C#N ZINC000426408866 447436773 /nfs/dbraw/zinc/43/67/73/447436773.db2.gz ABHFBXHWBXDGBA-AWEZNQCLSA-N 0 1 340.431 2.033 50 30 EDEAMN Cc1[nH]c(CN(C)CCNc2cc([C@H]3CCOC3)ncn2)cc1C#N ZINC000426408866 447436779 /nfs/dbraw/zinc/43/67/79/447436779.db2.gz ABHFBXHWBXDGBA-AWEZNQCLSA-N 0 1 340.431 2.033 50 30 EDEAMN CC#CC(=O)N1CCC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000064152540 441365287 /nfs/dbraw/zinc/36/52/87/441365287.db2.gz LEXZYPZGSIPFSC-SFHVURJKSA-N 0 1 341.455 1.832 50 30 EDEAMN CN1CCN(C(=O)c2cc(F)cc(C#N)c2)C[C@]12CCNC(=O)CC2 ZINC000091270097 441690141 /nfs/dbraw/zinc/69/01/41/441690141.db2.gz PEVCLNZDCCBHHW-SFHVURJKSA-N 0 1 344.390 1.124 50 30 EDEAMN Cc1oc(C#N)cc1C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000241634598 443208391 /nfs/dbraw/zinc/20/83/91/443208391.db2.gz PNRCYLOBXDIBRN-JKSUJKDBSA-N 0 1 339.395 1.825 50 30 EDEAMN C=CCN1C[C@@H](C(=O)NCc2nc3ccc(OC)cc3[nH]2)CC1=O ZINC000670471684 486563925 /nfs/dbraw/zinc/56/39/25/486563925.db2.gz SJCKTWXDQLVCIF-NSHDSACASA-N 0 1 328.372 1.222 50 30 EDEAMN C=CCN1CC[C@]2(CN(C(=O)CCSC)CCN2C)CCC1=O ZINC000091644917 218037513 /nfs/dbraw/zinc/03/75/13/218037513.db2.gz UZSQFKXIPSVFAN-KRWDZBQOSA-N 0 1 339.505 1.451 50 30 EDEAMN N#Cc1ccc(NC(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)cn1 ZINC000299801801 258104821 /nfs/dbraw/zinc/10/48/21/258104821.db2.gz XXDYVSVKXSVTKL-INIZCTEOSA-N 0 1 329.404 1.264 50 30 EDEAMN C=CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000005340675 277862407 /nfs/dbraw/zinc/86/24/07/277862407.db2.gz SUVFSPIJTRWIGH-QGZVFWFLSA-N 0 1 344.459 1.308 50 30 EDEAMN Cc1oc(NC(=O)CN2CCN(C[C@H](C)O)[C@H](C)C2)c(C#N)c1C ZINC000106929150 441392104 /nfs/dbraw/zinc/39/21/04/441392104.db2.gz VHFWTNGURPCYEN-NEPJUHHUSA-N 0 1 334.420 1.094 50 30 EDEAMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000195571561 443034215 /nfs/dbraw/zinc/03/42/15/443034215.db2.gz NTRCUMSESWJOKY-ZDUSSCGKSA-N 0 1 348.422 1.684 50 30 EDEAMN CN1CCCN(C(=O)c2ccccc2NC(=O)CSCC#N)CC1 ZINC000242147498 443210032 /nfs/dbraw/zinc/21/00/32/443210032.db2.gz WSHIDFAQOOBEEK-UHFFFAOYSA-N 0 1 346.456 1.660 50 30 EDEAMN CCc1nc([C@@H]2CN(CCOc3cccc(C#N)c3)CCO2)n[nH]1 ZINC000083830131 486230506 /nfs/dbraw/zinc/23/05/06/486230506.db2.gz GXIDERMLRSMLRY-HNNXBMFYSA-N 0 1 327.388 1.691 50 30 EDEAMN Cc1nc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3C#N)CCO2)n[nH]1 ZINC000076045115 202379040 /nfs/dbraw/zinc/37/90/40/202379040.db2.gz XVRHNOSUZZKPPW-ABAIWWIYSA-N 0 1 341.371 1.352 50 30 EDEAMN C#CCOc1ccccc1NC(=O)N1CCOC[C@H]1c1nnc[nH]1 ZINC000225479507 205083067 /nfs/dbraw/zinc/08/30/67/205083067.db2.gz ZTESCOPIAYMHBY-ZDUSSCGKSA-N 0 1 327.344 1.422 50 30 EDEAMN COc1ccc(C=Nc2nnc[nH]2)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000000206300 440806736 /nfs/dbraw/zinc/80/67/36/440806736.db2.gz NOAJACPGPQXKSB-PJQLUOCWSA-N 0 1 327.304 1.717 50 30 EDEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCO)[C@H]1c1ccccn1 ZINC000015109786 441196272 /nfs/dbraw/zinc/19/62/72/441196272.db2.gz PZILURORAUCJLC-HNNXBMFYSA-N 0 1 342.326 1.791 50 30 EDEAMN CCc1nc([C@H]2CN(C(=O)CCc3ccc(C#N)cc3)CCO2)n[nH]1 ZINC000083829878 441377283 /nfs/dbraw/zinc/37/72/83/441377283.db2.gz IEKJJDVMSDPWPP-OAHLLOKOSA-N 0 1 339.399 1.771 50 30 EDEAMN CCCc1nc([C@@H]2CN(C(=O)c3ccc(C#N)c(C)n3)CCO2)n[nH]1 ZINC000076046047 441583543 /nfs/dbraw/zinc/58/35/43/441583543.db2.gz XUKJLQWUAXUSCX-AWEZNQCLSA-N 0 1 340.387 1.546 50 30 EDEAMN CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccc(C#N)c(C)n3)CCO2)n1 ZINC000076046047 441583544 /nfs/dbraw/zinc/58/35/44/441583544.db2.gz XUKJLQWUAXUSCX-AWEZNQCLSA-N 0 1 340.387 1.546 50 30 EDEAMN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000069902273 442072048 /nfs/dbraw/zinc/07/20/48/442072048.db2.gz NCIUHXBFARGUSH-NUJGCVRESA-N 0 1 332.448 1.270 50 30 EDEAMN Cc1[nH]c(=O)c(C#N)cc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000223842468 443095359 /nfs/dbraw/zinc/09/53/59/443095359.db2.gz XIZYLSACSKWNIA-AXAPSJFSSA-N 0 1 338.367 1.192 50 30 EDEAMN COC(=O)c1nn(-c2ccc(F)cc2)c(=O)c(C#N)c1/C=C/N(C)C ZINC000052534151 214131899 /nfs/dbraw/zinc/13/18/99/214131899.db2.gz RYQZHAZUUROUOW-CMDGGOBGSA-N 0 1 342.330 1.562 50 30 EDEAMN N#Cc1ccccc1CN1CCC(CNC(=O)c2cccnn2)CC1 ZINC000067460375 215149559 /nfs/dbraw/zinc/14/95/59/215149559.db2.gz UYEDFKBMBZTOSM-UHFFFAOYSA-N 0 1 335.411 1.990 50 30 EDEAMN CCCNc1ccc(C#N)cc1NC(=O)CN1CCN(CC)CC1 ZINC000095410263 218347516 /nfs/dbraw/zinc/34/75/16/218347516.db2.gz VHDXOVXXVOBBHJ-UHFFFAOYSA-N 0 1 329.448 1.956 50 30 EDEAMN Cc1nc(N(C)C)nc(N2CCN(c3ncccc3C#N)CC2)c1C ZINC000065394239 274840234 /nfs/dbraw/zinc/84/02/34/274840234.db2.gz MGYLDWOZPDZVNJ-UHFFFAOYSA-N 0 1 337.431 1.753 50 30 EDEAMN C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1 ZINC000002318064 440859638 /nfs/dbraw/zinc/85/96/38/440859638.db2.gz WDDKAZOGGSLEGT-ZDUSSCGKSA-N 0 1 337.383 1.376 50 30 EDEAMN CCOCCN1CCN(CC(=O)NC2(C#N)CCCC2)C[C@@H]1CC ZINC000070021831 441105787 /nfs/dbraw/zinc/10/57/87/441105787.db2.gz YSUUQIUZYBLHHS-INIZCTEOSA-N 0 1 336.480 1.372 50 30 EDEAMN CN1C(=O)N[C@@](C)([C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)C1=O ZINC000076058990 441589094 /nfs/dbraw/zinc/58/90/94/441589094.db2.gz BERFHAKWEOAQEX-KDOFPFPSSA-N 0 1 344.390 1.850 50 30 EDEAMN C#CCOC[C@H](O)CN(CCOC)Cc1cccc(OC)c1OC ZINC000036097158 441606090 /nfs/dbraw/zinc/60/60/90/441606090.db2.gz CCEOXHZDMBMNSH-MRXNPFEDSA-N 0 1 337.416 1.163 50 30 EDEAMN O=C(COc1ccccc1-n1cnnc1)Nc1nc(C2CC2)n[nH]1 ZINC000095474022 441934063 /nfs/dbraw/zinc/93/40/63/441934063.db2.gz APADCCCRWPVISS-UHFFFAOYSA-N 0 1 325.332 1.930 50 30 EDEAMN O=C(COc1ccccc1-n1cnnc1)Nc1n[nH]c(C2CC2)n1 ZINC000095474022 441934070 /nfs/dbraw/zinc/93/40/70/441934070.db2.gz APADCCCRWPVISS-UHFFFAOYSA-N 0 1 325.332 1.930 50 30 EDEAMN C#CCN1CCC(C(=O)N(C)CC(=O)Nc2cccc(C)n2)CC1 ZINC000069442764 441937156 /nfs/dbraw/zinc/93/71/56/441937156.db2.gz BOHXTBHDORKIDM-UHFFFAOYSA-N 0 1 328.416 1.132 50 30 EDEAMN Cc1nc(C(=O)N2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)ccc1C#N ZINC000078889470 441984659 /nfs/dbraw/zinc/98/46/59/441984659.db2.gz AYBQNLFNUUDOPQ-AWEZNQCLSA-N 0 1 340.387 1.717 50 30 EDEAMN Cc1nc(C(=O)N2CCO[C@H](c3n[nH]c(C(C)C)n3)C2)ccc1C#N ZINC000078889470 441984665 /nfs/dbraw/zinc/98/46/65/441984665.db2.gz AYBQNLFNUUDOPQ-AWEZNQCLSA-N 0 1 340.387 1.717 50 30 EDEAMN CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000084281257 486254872 /nfs/dbraw/zinc/25/48/72/486254872.db2.gz RVPSPGWKZUHJSL-QGZVFWFLSA-N 0 1 339.399 1.873 50 30 EDEAMN COc1cc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCN(C)C)ccc1O ZINC000019790278 212067922 /nfs/dbraw/zinc/06/79/22/212067922.db2.gz SGOAHANFJXQBPY-HNNXBMFYSA-N 0 1 334.372 1.247 50 30 EDEAMN C=CC[C@@]1(C(=O)[O-])CCCN(c2nc(N3CCC(O)CC3)cc[nH+]2)C1 ZINC000091951533 218093567 /nfs/dbraw/zinc/09/35/67/218093567.db2.gz CRQCUKOKEWPYHA-GOSISDBHSA-N 0 1 346.431 1.685 50 30 EDEAMN CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000048353946 441298003 /nfs/dbraw/zinc/29/80/03/441298003.db2.gz DHCJVYLSPSFYPZ-LBPRGKRZSA-N 0 1 327.837 1.974 50 30 EDEAMN N#Cc1ccc(C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000108141116 441437423 /nfs/dbraw/zinc/43/74/23/441437423.db2.gz KQEXYTKDTAIWLO-OALUTQOASA-N 0 1 335.407 1.923 50 30 EDEAMN Cc1nc([C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)c2ccccc2)n[nH]1 ZINC000252572652 443043504 /nfs/dbraw/zinc/04/35/04/443043504.db2.gz ZROMTMFOQCKWCE-FZMZJTMJSA-N 0 1 348.432 1.128 50 30 EDEAMN C#CCN1CCC(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)CC1 ZINC000072277306 518265624 /nfs/dbraw/zinc/26/56/24/518265624.db2.gz MRBLIGGUYXVHKW-DLBZAZTESA-N 0 1 336.501 1.845 50 30 EDEAMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C#N)cn3)ccc21 ZINC000174002748 526675081 /nfs/dbraw/zinc/67/50/81/526675081.db2.gz AASQKYMBFPAZIE-UHFFFAOYSA-N 0 1 342.380 1.663 50 30 EDEAMN C=CCN(CC#Cc1ccccc1)C(=O)[C@@H]1CCCN(CC(N)=O)C1 ZINC000055168887 214282700 /nfs/dbraw/zinc/28/27/00/214282700.db2.gz JATPFGAGFWKBGC-GOSISDBHSA-N 0 1 339.439 1.250 50 30 EDEAMN CN(Cc1cccc(C#N)c1)C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000056766601 214388154 /nfs/dbraw/zinc/38/81/54/214388154.db2.gz LLNMZORKJTZBSS-UHFFFAOYSA-N 0 1 335.371 1.319 50 30 EDEAMN C#CCN1CCC(C(=O)N2CCC3(CC2)[C@H](O)C[C@H]3OCC)CC1 ZINC000095400728 218334227 /nfs/dbraw/zinc/33/42/27/218334227.db2.gz IBENUOFIZGOEGV-IAGOWNOFSA-N 0 1 334.460 1.110 50 30 EDEAMN CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)NC1(C#N)CCCC1 ZINC000069947805 441094036 /nfs/dbraw/zinc/09/40/36/441094036.db2.gz WWEQVPVLSLZAMH-CVEARBPZSA-N 0 1 332.448 1.414 50 30 EDEAMN CN(C)C(=O)CN1CCCN(CCOc2ccc(CC#N)cc2)CC1 ZINC000071899616 441189646 /nfs/dbraw/zinc/18/96/46/441189646.db2.gz RKOHXRZZQSMKDI-UHFFFAOYSA-N 0 1 344.459 1.227 50 30 EDEAMN CNCc1cn(CC2CCN(c3nc(C)cc(C)c3C#N)CC2)nn1 ZINC000019800012 441261371 /nfs/dbraw/zinc/26/13/71/441261371.db2.gz LXZIYKWYQBJOTN-UHFFFAOYSA-N 0 1 339.447 1.798 50 30 EDEAMN C=CCN(CC=C)C(=O)CN1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000065387218 441423556 /nfs/dbraw/zinc/42/35/56/441423556.db2.gz GJJFPKKRMARETA-OAHLLOKOSA-N 0 1 330.432 1.871 50 30 EDEAMN N#Cc1cccnc1NC[C@H]1CCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000065475331 441442640 /nfs/dbraw/zinc/44/26/40/441442640.db2.gz PIGJNFIRBBJHHK-RHSMWYFYSA-N 0 1 335.411 1.914 50 30 EDEAMN CC(C)[C@H](NCC(=O)N(CCC#N)CCC#N)[C@H](O)C(F)(F)F ZINC000408516866 447671222 /nfs/dbraw/zinc/67/12/22/447671222.db2.gz BXUDLMBMQOQMDB-STQMWFEESA-N 0 1 334.342 1.180 50 30 EDEAMN C=CCN1CC2(CCC1=O)CCN(CC(=O)NC[C@H]1CCCO1)CC2 ZINC000091320250 518859903 /nfs/dbraw/zinc/85/99/03/518859903.db2.gz RGBOOXGLOCLLAS-MRXNPFEDSA-N 0 1 349.475 1.172 50 30 EDEAMN COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2cnc[nH]2)c1 ZINC000004626059 524173008 /nfs/dbraw/zinc/17/30/08/524173008.db2.gz UQMOXDGZRXGLEF-INIZCTEOSA-N 0 1 341.367 1.945 50 30 biogenic,in-vitro EDEAMN C[C@](C#N)(NC(=O)CN1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000027576601 525135610 /nfs/dbraw/zinc/13/56/10/525135610.db2.gz LDKMLSYXHRSMRB-HXUWFJFHSA-N 0 1 340.471 1.655 50 30 EDEAMN CN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)C1=O ZINC000076058994 441589901 /nfs/dbraw/zinc/58/99/01/441589901.db2.gz BERFHAKWEOAQEX-RDTXWAMCSA-N 0 1 344.390 1.850 50 30 EDEAMN N#Cc1cc(Br)cc(S(=O)(=O)Nc2ncccn2)c1 ZINC000097114306 442171658 /nfs/dbraw/zinc/17/16/58/442171658.db2.gz LVFVNVAPUYSALM-UHFFFAOYSA-N 0 1 339.174 1.912 50 30 EDEAMN CN(C)C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cccc(C#N)c1)C2 ZINC000223470308 443090530 /nfs/dbraw/zinc/09/05/30/443090530.db2.gz YXGZCGZQLYPYLR-QGZVFWFLSA-N 0 1 339.399 1.006 50 30 EDEAMN [O-]C(=[NH+]C[C@@H]1COC2(CCOCC2)O1)N1CCc2ccccc2CC1 ZINC000328587063 444387269 /nfs/dbraw/zinc/38/72/69/444387269.db2.gz LYQXEYZXJDEORE-QGZVFWFLSA-N 0 1 346.427 1.923 50 30 EDEAMN COc1cc(/C=C\C(=O)N2CCN(C)C[C@@H]2C)ccc1OCC#N ZINC000098055872 219075509 /nfs/dbraw/zinc/07/55/09/219075509.db2.gz DYFZCEBOGOBXBH-VSKVDJIOSA-N 0 1 329.400 1.773 50 30 EDEAMN N#Cc1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)ccc1Cl ZINC000072277710 216105122 /nfs/dbraw/zinc/10/51/22/216105122.db2.gz PWBRWFXPOMZISY-GFCCVEGCSA-N 0 1 325.821 1.680 50 30 EDEAMN C=CCn1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)cn1 ZINC000072470406 216249207 /nfs/dbraw/zinc/24/92/07/216249207.db2.gz NLUGLKMHQXKTHG-ZWKOTPCHSA-N 0 1 346.475 1.655 50 30 EDEAMN C=CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000095406692 218343023 /nfs/dbraw/zinc/34/30/23/218343023.db2.gz YVOKSWJDAGMAOO-UHFFFAOYSA-N 0 1 346.408 1.787 50 30 EDEAMN COc1cc(NC(=[NH2+])Nc2nc3c(c(=O)[n-]2)CCCC3)cc(OC)c1 ZINC000012631368 441138186 /nfs/dbraw/zinc/13/81/86/441138186.db2.gz UZYSHUUQCZKCDH-UHFFFAOYSA-N 0 1 343.387 1.724 50 30 EDEAMN Cc1nc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CCO2)n[nH]1 ZINC000076045343 441582073 /nfs/dbraw/zinc/58/20/73/441582073.db2.gz JHCVZKSDUJCNRD-ABAIWWIYSA-N 0 1 341.371 1.352 50 30 EDEAMN C#CCOC[C@@H](O)CN(CCCOC)Cc1ccc(F)cc1F ZINC000036099723 441606718 /nfs/dbraw/zinc/60/67/18/441606718.db2.gz FPKXASXATOTSPX-INIZCTEOSA-N 0 1 327.371 1.814 50 30 EDEAMN CCOC(O)=C([N+]#N)C(=O)[N-]S(=O)(=O)Nc1ccc(F)cc1 ZINC000136680607 441715244 /nfs/dbraw/zinc/71/52/44/441715244.db2.gz HFVWTEJEHXYTOB-UHFFFAOYSA-O 0 1 331.305 1.215 50 30 EDEAMN O=C([N-]S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000078707522 441964297 /nfs/dbraw/zinc/96/42/97/441964297.db2.gz QFAQLWQRGJZJEE-UHFFFAOYSA-N 0 1 349.412 1.647 50 30 EDEAMN CCOCCN1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@@H]1CC ZINC000283880255 443754134 /nfs/dbraw/zinc/75/41/34/443754134.db2.gz VDZWIVARZKLUBV-AWEZNQCLSA-N 0 1 347.419 1.986 50 30 EDEAMN CCOC(=O)Cc1cc(=O)[n-]c(NC(=[NH2+])Nc2ccc(C)cc2C)n1 ZINC000013858314 520904162 /nfs/dbraw/zinc/90/41/62/520904162.db2.gz OAXWOCKHSNOSEJ-UHFFFAOYSA-N 0 1 343.387 1.551 50 30 EDEAMN CCOC(=O)c1c(NC=C2C(=O)NC(=O)NC2=O)sc2c1CCC2 ZINC000100572930 219101943 /nfs/dbraw/zinc/10/19/43/219101943.db2.gz RAMFRMLIIXXEFR-OMCISZLKSA-N 0 1 349.368 1.098 50 30 EDEAMN C=CCc1c(C)nc(N)nc1N1CCN(Cc2nccn2C)CC1 ZINC000091770513 218063514 /nfs/dbraw/zinc/06/35/14/218063514.db2.gz YQHGAMMYXOZLDS-UHFFFAOYSA-N 0 1 327.436 1.151 50 30 EDEAMN C#CCNC(=O)[C@@H](C)Sc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000058295025 441174329 /nfs/dbraw/zinc/17/43/29/441174329.db2.gz PFWHQRCRKPWKHD-SNVBAGLBSA-N 0 1 346.412 1.719 50 30 EDEAMN C#CCOC[C@H](O)CN(CCCOC)Cc1ccc(F)cc1F ZINC000036099725 441606203 /nfs/dbraw/zinc/60/62/03/441606203.db2.gz FPKXASXATOTSPX-MRXNPFEDSA-N 0 1 327.371 1.814 50 30 EDEAMN CCC[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1NC(=O)C1(C#N)CCOCC1 ZINC000092061556 441765127 /nfs/dbraw/zinc/76/51/27/441765127.db2.gz HGGLYEFDMRYGMY-HOCLYGCPSA-N 0 1 345.447 1.447 50 30 EDEAMN CC(C)Cc1nc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)n[nH]1 ZINC000095476014 441935204 /nfs/dbraw/zinc/93/52/04/441935204.db2.gz QIDYTYCXIHCPOK-CYBMUJFWSA-N 0 1 326.364 1.867 50 30 EDEAMN CC(C)Cc1n[nH]c(NC(=O)[C@@H](c2ccccc2)n2cnnn2)n1 ZINC000095476014 441935211 /nfs/dbraw/zinc/93/52/11/441935211.db2.gz QIDYTYCXIHCPOK-CYBMUJFWSA-N 0 1 326.364 1.867 50 30 EDEAMN CCN(CC)S(=O)(=O)c1ccc([C@H](C#N)C(=O)[C@H]2C[C@@H]2C)nc1 ZINC000079330782 442040253 /nfs/dbraw/zinc/04/02/53/442040253.db2.gz OYSQRZMSTCHEGT-UBHSHLNASA-N 0 1 335.429 1.944 50 30 EDEAMN C=C(Br)CNC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000187933448 442698931 /nfs/dbraw/zinc/69/89/31/442698931.db2.gz LYYCXHCDLWFZLY-NSHDSACASA-N 0 1 334.258 1.382 50 30 EDEAMN COc1ccc(C(=O)N2CCc3[nH]c(=O)c(C#N)cc3C2)cc1OC ZINC000225681177 443117939 /nfs/dbraw/zinc/11/79/39/443117939.db2.gz CKYJNQIHUOUSSZ-UHFFFAOYSA-N 0 1 339.351 1.462 50 30 EDEAMN C=CCn1c(CNC)nnc1SCc1nc(C(F)(F)F)no1 ZINC000426730389 447495965 /nfs/dbraw/zinc/49/59/65/447495965.db2.gz JIDPLBZSVNRHBI-UHFFFAOYSA-N 0 1 334.327 1.878 50 30 EDEAMN COc1ccc(-c2n[nH]c(SCC(=O)N(C)CCC#N)n2)cc1 ZINC000006917266 523176966 /nfs/dbraw/zinc/17/69/66/523176966.db2.gz ZBCRTIMRBOLFGF-UHFFFAOYSA-N 0 1 331.401 1.944 50 30 EDEAMN CCOC(=O)C(C#N)=NNc1cc(C(N)=O)c(Cl)cc1Cl ZINC000000433356 440823179 /nfs/dbraw/zinc/82/31/79/440823179.db2.gz DJBFPBUCUAAFBA-VCHYOVAHSA-N 0 1 329.143 1.947 50 30 EDEAMN COC(=O)C1=C(O)C2=C(CC1(C)C)N1CCn3cccc3[C@@H]1CC2=O ZINC000000519815 440828057 /nfs/dbraw/zinc/82/80/57/440828057.db2.gz BMFKTDSBSRSAPV-BLLLJJGKSA-N 0 1 342.395 1.860 50 30 EDEAMN Cc1nc(C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)ccc1C#N ZINC000070004237 441102529 /nfs/dbraw/zinc/10/25/29/441102529.db2.gz CDYHKGOQBFVJPR-INIZCTEOSA-N 0 1 330.432 1.427 50 30 EDEAMN C=C(Br)CN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000105915114 441315729 /nfs/dbraw/zinc/31/57/29/441315729.db2.gz ZHQMZPVSQCKJTR-HNNXBMFYSA-N 0 1 346.313 1.622 50 30 EDEAMN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](C)c2ccncc2)CC1 ZINC000097370651 442191354 /nfs/dbraw/zinc/19/13/54/442191354.db2.gz JJOOQAJFTCLWOX-NVXWUHKLSA-N 0 1 329.448 1.425 50 30 EDEAMN N#CC1(C(=O)NCCc2nnc(-c3ccccc3)[nH]2)CCOCC1 ZINC000170603747 442234925 /nfs/dbraw/zinc/23/49/25/442234925.db2.gz YDJGHYDCKAPWTO-UHFFFAOYSA-N 0 1 325.372 1.451 50 30 EDEAMN COc1ccc([C@@H]2c3c([nH]c(=S)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 ZINC000221274582 443069883 /nfs/dbraw/zinc/06/98/83/443069883.db2.gz GTTJVGQTQGSPIB-ZJUUUORDSA-N 0 1 328.353 1.665 50 30 EDEAMN Cc1oc(C#N)cc1C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000241634595 443208081 /nfs/dbraw/zinc/20/80/81/443208081.db2.gz PNRCYLOBXDIBRN-CVEARBPZSA-N 0 1 339.395 1.825 50 30 EDEAMN C[N@H+]1C[C@H](NC(=O)CC2=C(c3ccccc3)CCC2=O)C[C@H]1C(=O)[O-] ZINC000299787090 444138652 /nfs/dbraw/zinc/13/86/52/444138652.db2.gz SWXITCLHBILNSM-CJNGLKHVSA-N 0 1 342.395 1.467 50 30 EDEAMN Cc1nc(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)c(C)s1 ZINC000329168132 444490330 /nfs/dbraw/zinc/49/03/30/444490330.db2.gz IXZGEXSFIQVXGA-CYBMUJFWSA-N 0 1 336.461 1.760 50 30 EDEAMN COC1=CC(C(=O)N=C2C=C3C(=O)N=CN=C3C=C2F)=CC(C)N1 ZINC000606443792 449469216 /nfs/dbraw/zinc/46/92/16/449469216.db2.gz LAGIEDMVJBSKCI-MXUFDXJLSA-N 0 1 328.303 1.995 50 30 EDEAMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cccs1 ZINC000023106577 212348802 /nfs/dbraw/zinc/34/88/02/212348802.db2.gz GBMRXBSMYAYNNJ-CQSZACIVSA-N 0 1 342.424 1.977 50 30 EDEAMN COCCN1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cccc(C#N)c1)C2 ZINC000091845474 218075142 /nfs/dbraw/zinc/07/51/42/218075142.db2.gz JLSSMCMZSOPVQL-HZPDHXFCSA-N 0 1 349.456 1.290 50 30 EDEAMN Cn1c(NN=Cc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000004812407 210283621 /nfs/dbraw/zinc/28/36/21/210283621.db2.gz TUIDEBOPTMWLGD-CAOOACKPSA-N 0 1 346.778 1.070 50 30 EDEAMN C=CCn1c(=O)cc(O)nc1SCC(=O)Nc1ccccc1OC ZINC000001406664 440844349 /nfs/dbraw/zinc/84/43/49/440844349.db2.gz ZHUFIIGKNSKLQY-UHFFFAOYSA-N 0 1 347.396 1.874 50 30 EDEAMN COc1cc(C=Nn2c(=O)c(C)n[nH]c2=S)cc(OC)c1OC ZINC000000453251 440823345 /nfs/dbraw/zinc/82/33/45/440823345.db2.gz OUGFMJPFLVWXDP-VIZOYTHASA-N 0 1 336.373 1.517 50 30 EDEAMN CCn1cc(C=NN2CC(=O)C(c3nc(C)cs3)=C2N)c(C)n1 ZINC000013733767 441166284 /nfs/dbraw/zinc/16/62/84/441166284.db2.gz CSBZQQDAOABABF-YAXRCOADSA-N 0 1 330.417 1.522 50 30 EDEAMN CCC[C@@H]1CN(Cc2cc(C#N)n(C)c2C)C[C@H]1NS(C)(=O)=O ZINC000082136818 441337118 /nfs/dbraw/zinc/33/71/18/441337118.db2.gz JGBXQHOHYFJGPI-CZUORRHYSA-N 0 1 338.477 1.355 50 30 EDEAMN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCC(=O)N(CC#N)CC#N ZINC000075605233 441539445 /nfs/dbraw/zinc/53/94/45/441539445.db2.gz NSRLVAMZZPIAON-ZDUSSCGKSA-N 0 1 348.838 1.785 50 30 EDEAMN CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(C#N)c(=O)[nH]c1C ZINC000077539941 441800473 /nfs/dbraw/zinc/80/04/73/441800473.db2.gz KRJDRBSRUGMMTO-AWEZNQCLSA-N 0 1 330.388 1.440 50 30 EDEAMN Cc1ccc(C#N)c(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1 ZINC000161233177 441975596 /nfs/dbraw/zinc/97/55/96/441975596.db2.gz CXOLVOWNBMZLOU-SFHVURJKSA-N 0 1 343.475 1.493 50 30 EDEAMN C=CCN1CC[C@]2(CN(c3noc(C4CC4)n3)CCN2C)CCC1=O ZINC000096150805 442046813 /nfs/dbraw/zinc/04/68/13/442046813.db2.gz FZUDZDMDPYEYIE-SFHVURJKSA-N 0 1 345.447 1.636 50 30 EDEAMN C[C@H](CN1CCCCC1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000195574153 443034239 /nfs/dbraw/zinc/03/42/39/443034239.db2.gz OEBZROBJYMFOAU-CYBMUJFWSA-N 0 1 339.436 1.991 50 30 EDEAMN [NH2+]=C(Nc1ccc2c(c1)OCCO2)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000002222618 440858998 /nfs/dbraw/zinc/85/89/98/440858998.db2.gz ZGEFGUPKTLIYST-UHFFFAOYSA-N 0 1 341.371 1.478 50 30 EDEAMN COC(=O)Cc1cc(=O)[n-]c(NC(=[NH2+])Nc2ccc(C)cc2C)n1 ZINC000018085882 441247810 /nfs/dbraw/zinc/24/78/10/441247810.db2.gz IKBHJBQFXFAPNY-UHFFFAOYSA-N 0 1 329.360 1.573 50 30 EDEAMN CN(Cc1nnc[nH]1)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000328899399 444394069 /nfs/dbraw/zinc/39/40/69/444394069.db2.gz YWFWISKBNNMJOY-UHFFFAOYSA-N 0 1 334.346 1.425 50 30 EDEAMN COc1ccc(-c2ccc(CN=Nc3nn[nH]n3)o2)c([N+](=O)[O-])c1 ZINC000004150956 523127115 /nfs/dbraw/zinc/12/71/15/523127115.db2.gz LXXMUDAOXJBWQW-VGOFMYFVSA-N 0 1 329.276 1.823 50 30 EDEAMN CN(Cc1ccsc1)C(=O)CON=C(N)CN1CCCCCC1 ZINC000069442797 523484467 /nfs/dbraw/zinc/48/44/67/523484467.db2.gz YJWGJHAFELHQAD-UHFFFAOYSA-N 0 1 338.477 1.871 50 30 EDEAMN C=CC[C@]1(CO)CCCN(Cc2cnc(N3CCOCC3)nc2)C1 ZINC000091746607 218058218 /nfs/dbraw/zinc/05/82/18/218058218.db2.gz WOUOQTQRGCURHQ-SFHVURJKSA-N 0 1 332.448 1.464 50 30 EDEAMN N#Cc1ncccc1S(=O)(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000253433205 295002264 /nfs/dbraw/zinc/00/22/64/295002264.db2.gz TZIIUQCNXWLIDG-AWEZNQCLSA-N 0 1 334.445 1.592 50 30 EDEAMN COCCCN1CCCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000058328631 441180075 /nfs/dbraw/zinc/18/00/75/441180075.db2.gz FTKYKHNQTILNMO-UHFFFAOYSA-N 0 1 337.445 1.291 50 30 EDEAMN N#C[C@@H](C(=O)CN1CCCCCCC1=O)c1nnc2n1CCCCC2 ZINC000071803547 441156997 /nfs/dbraw/zinc/15/69/97/441156997.db2.gz AFNFQPXSEPXDAF-AWEZNQCLSA-N 0 1 343.431 1.973 50 30 EDEAMN C=CC[C@]1(C(=O)[O-])CCCN(C(=O)CC[N@@H+]2CCCN(C)CC2)C1 ZINC000107660343 441424314 /nfs/dbraw/zinc/42/43/14/441424314.db2.gz DFAGGVAQTSGMCU-SFHVURJKSA-N 0 1 337.464 1.284 50 30 EDEAMN C=CC[C@]1(C(=O)[O-])CCCN(C(=O)CCN2CCC[N@@H+](C)CC2)C1 ZINC000107660343 441424321 /nfs/dbraw/zinc/42/43/21/441424321.db2.gz DFAGGVAQTSGMCU-SFHVURJKSA-N 0 1 337.464 1.284 50 30 EDEAMN C=CC[C@]1(C(=O)[O-])CCCN(C(=O)CCN2CCC[N@H+](C)CC2)C1 ZINC000107660343 441424324 /nfs/dbraw/zinc/42/43/24/441424324.db2.gz DFAGGVAQTSGMCU-SFHVURJKSA-N 0 1 337.464 1.284 50 30 EDEAMN Cc1oc(NC(=O)CN2CCN(C[C@@H](C)O)[C@H](C)C2)c(C#N)c1C ZINC000075129325 441499513 /nfs/dbraw/zinc/49/95/13/441499513.db2.gz VHFWTNGURPCYEN-VXGBXAGGSA-N 0 1 334.420 1.094 50 30 EDEAMN C#CCN1CCC(C(=O)N2CC[C@@](C(=O)OCC)(C(C)C)C2)CC1 ZINC000192942241 442700473 /nfs/dbraw/zinc/70/04/73/442700473.db2.gz JTQWCYGJASUVOA-IBGZPJMESA-N 0 1 334.460 1.769 50 30 EDEAMN CCc1nc2n(n1)CCC[C@@H]2[NH+]=C([O-])N[C@H]1CCc2cn[nH]c2C1 ZINC000329830500 444732751 /nfs/dbraw/zinc/73/27/51/444732751.db2.gz KDTYNJDUULJBEN-RYUDHWBXSA-N 0 1 329.408 1.460 50 30 EDEAMN COc1c2c(cc(CCN(C)C(=O)NC(C)C)c1/C=N/O)OCO2 ZINC000100762741 219105864 /nfs/dbraw/zinc/10/58/64/219105864.db2.gz RTBAQOGGQQNOHH-CAOOACKPSA-N 0 1 337.376 1.824 50 30 EDEAMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cnc2n(c1=O)CCS2 ZINC000058406360 285205007 /nfs/dbraw/zinc/20/50/07/285205007.db2.gz SCUREVDDUANWKP-UHFFFAOYSA-N 0 1 341.356 1.165 50 30 EDEAMN Nc1nonc1C(=O)NCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000002250176 440858021 /nfs/dbraw/zinc/85/80/21/440858021.db2.gz QGMNQDKABONWRH-FZSIALSZSA-N 0 1 344.158 1.513 50 30 EDEAMN C=CCNC(=O)CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000058379799 441187313 /nfs/dbraw/zinc/18/73/13/441187313.db2.gz STLBMPWIUXWTNA-UHFFFAOYSA-N 0 1 335.473 1.421 50 30 EDEAMN CCOC(=O)C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000024364569 441308653 /nfs/dbraw/zinc/30/86/53/441308653.db2.gz MMACZRWSAJMLPZ-INIZCTEOSA-N 0 1 332.400 1.573 50 30 EDEAMN CCc1nc([C@H]2CN(C(=O)COc3ccc(C#N)cc3)CCO2)n[nH]1 ZINC000083829911 441377170 /nfs/dbraw/zinc/37/71/70/441377170.db2.gz DYGWBIAMBRYQPO-CQSZACIVSA-N 0 1 341.371 1.218 50 30 EDEAMN CCc1nc([C@H]2CN(CCOc3ccccc3C#N)CCO2)n[nH]1 ZINC000083830137 486229811 /nfs/dbraw/zinc/22/98/11/486229811.db2.gz WEYVSIWGDBDRBI-OAHLLOKOSA-N 0 1 327.388 1.691 50 30 EDEAMN CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000053524315 214187194 /nfs/dbraw/zinc/18/71/94/214187194.db2.gz OTJNMHUISFCVMF-UHFFFAOYSA-N 0 1 343.368 1.907 50 30 EDEAMN COc1cc(C=NNc2ncnc3nc[nH]c32)cc(OC)c1OC ZINC000004106463 210120967 /nfs/dbraw/zinc/12/09/67/210120967.db2.gz LVXMTBMGNIZEJZ-CGOBSMCZSA-N 0 1 328.332 1.825 50 30 EDEAMN CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(N(C)C)cc1 ZINC000019789956 212067007 /nfs/dbraw/zinc/06/70/07/212067007.db2.gz HNOHZUIUIIXOSP-MRXNPFEDSA-N 0 1 331.416 1.599 50 30 EDEAMN C=CC[C@]1(CO)CCCN(Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000092081425 218117014 /nfs/dbraw/zinc/11/70/14/218117014.db2.gz CQKQSXWEQFQASU-KRWDZBQOSA-N 0 1 338.473 1.745 50 30 EDEAMN C=CC[C@@]1(CO)CCCN(Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000092081423 218117322 /nfs/dbraw/zinc/11/73/22/218117322.db2.gz CQKQSXWEQFQASU-QGZVFWFLSA-N 0 1 338.473 1.745 50 30 EDEAMN C=CCc1c(C)nc(N)nc1NC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000095386323 441917580 /nfs/dbraw/zinc/91/75/80/441917580.db2.gz YGBXCFFXTUDJKQ-LBPRGKRZSA-N 0 1 339.465 1.179 50 30 EDEAMN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc[nH]c3C2)c1 ZINC000585085796 486034855 /nfs/dbraw/zinc/03/48/55/486034855.db2.gz KHTQZPJUFGDXGM-UHFFFAOYSA-N 0 1 346.412 1.073 50 30 EDEAMN C=CCN1C(=O)NC(=O)C(=C(C)NCc2ccc3c(c2)OCO3)C1=O ZINC000101034598 219114430 /nfs/dbraw/zinc/11/44/30/219114430.db2.gz JDMLLDCIHDNPPU-GXDHUFHOSA-N 0 1 343.339 1.043 50 30 EDEAMN N#Cc1ncn(CC(=O)Nc2cccc(CN3CCSCC3)c2)n1 ZINC000069379993 215394720 /nfs/dbraw/zinc/39/47/20/215394720.db2.gz NZAIHLRQJPRMGC-UHFFFAOYSA-N 0 1 342.428 1.337 50 30 EDEAMN C#CC(C)(C)OC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000020683331 212162191 /nfs/dbraw/zinc/16/21/91/212162191.db2.gz MOQJXBOHRAASOU-QGZVFWFLSA-N 0 1 332.444 1.607 50 30 EDEAMN C=CCN1CC[C@@]2(CN(C(=O)C3CCOCC3)CCN2C)CCC1=O ZINC000091643488 218036554 /nfs/dbraw/zinc/03/65/54/218036554.db2.gz OICYHLBYVCABNA-LJQANCHMSA-N 0 1 349.475 1.124 50 30 EDEAMN N#Cc1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2O)nc1N ZINC000012859932 441146539 /nfs/dbraw/zinc/14/65/39/441146539.db2.gz KZPRBZSAVDKDET-UHFFFAOYSA-N 0 1 346.328 1.275 50 30 EDEAMN Cc1nc([C@@H]2CN(C(=O)[C@@H](C)Oc3cccc(C#N)c3)CCO2)n[nH]1 ZINC000072299539 441225701 /nfs/dbraw/zinc/22/57/01/441225701.db2.gz ICQKRVODLFSBJT-ABAIWWIYSA-N 0 1 341.371 1.352 50 30 EDEAMN CC(C)(C#N)CCCN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000097094640 442166582 /nfs/dbraw/zinc/16/65/82/442166582.db2.gz GOBDYAHJCMZVAM-UHFFFAOYSA-N 0 1 327.494 1.511 50 30 EDEAMN Cc1nc(C)n(C[C@@H]2CCCN(C([O-])=[NH+]c3ccnc(C)n3)C2)n1 ZINC000330130420 444855268 /nfs/dbraw/zinc/85/52/68/444855268.db2.gz PACCICCKYZIFNV-CQSZACIVSA-N 0 1 329.408 1.951 50 30 EDEAMN C=C(C)C(=O)OC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000032501382 518587993 /nfs/dbraw/zinc/58/79/93/518587993.db2.gz PXOYTVVOIRXJBS-MRXNPFEDSA-N 0 1 334.416 1.297 50 30 EDEAMN Cc1cccc(S(=O)(=O)N2C[C@@]3(C)CN(C)C[C@@]3(C)C2)c1C#N ZINC000863983137 596739959 /nfs/dbraw/zinc/73/99/59/596739959.db2.gz CIPHWPFXWIXWMU-CALCHBBNSA-N 0 1 333.457 1.829 50 30 EDEAMN C#CCNC(=O)Cc1c(C)[nH]n(-c2cccc(Br)c2)c1=O ZINC000101254286 219119448 /nfs/dbraw/zinc/11/94/48/219119448.db2.gz VBKQGTQYROUKOG-CYBMUJFWSA-N 0 1 348.200 1.927 50 30 EDEAMN CC(=O)N1CCN([C@@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]2C)CC1 ZINC000107058147 441400163 /nfs/dbraw/zinc/40/01/63/441400163.db2.gz AAOBDRVPHBQHBX-AUUYWEPGSA-N 0 1 344.434 1.682 50 30 EDEAMN CCOC(=O)[C@@H](C(C)=O)C1=C([N+](=O)[O-])C(=O)C(=O)c2ccccc21 ZINC000135793304 563993750 /nfs/dbraw/zinc/99/37/50/563993750.db2.gz DMBCTVDLHWYWSC-NSHDSACASA-N 0 1 331.280 1.208 50 30 EDEAMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000069352191 215387491 /nfs/dbraw/zinc/38/74/91/215387491.db2.gz SYGDCPAOYYDSEF-UHFFFAOYSA-N 0 1 344.440 1.706 50 30 EDEAMN N#CCNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000079860685 217258781 /nfs/dbraw/zinc/25/87/81/217258781.db2.gz DKJVRXSQRUGPGO-UHFFFAOYSA-N 0 1 326.097 1.421 50 30 EDEAMN N#Cc1ccc2[nH]c([C@H](O)[C@@H](O)c3nc4ccc(C#N)cc4[nH]3)nc2c1 ZINC000000131314 440800758 /nfs/dbraw/zinc/80/07/58/440800758.db2.gz BWVMXJXKUSMFIK-HZPDHXFCSA-N 0 1 344.334 1.950 50 30 EDEAMN N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C[C@@H](O)[C@@H]2CCCO2)CC1 ZINC000079076607 442016806 /nfs/dbraw/zinc/01/68/06/442016806.db2.gz OXDVMTSAUGJMRX-SJORKVTESA-N 0 1 346.387 1.128 50 30 EDEAMN N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cnn(-c3ccccc3)n1)C2 ZINC000225682500 241984743 /nfs/dbraw/zinc/98/47/43/241984743.db2.gz DIRWOSQERLRLOQ-UHFFFAOYSA-N 0 1 346.350 1.026 50 30 EDEAMN CCN1CCC(N(C)CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000095435863 218378675 /nfs/dbraw/zinc/37/86/75/218378675.db2.gz AHQIDWOVAAFKEK-UHFFFAOYSA-N 0 1 335.473 1.748 50 30 EDEAMN N#Cc1c(F)cccc1N1CCN(C[C@@H](O)Cn2cccn2)CC1 ZINC000044974306 440933667 /nfs/dbraw/zinc/93/36/67/440933667.db2.gz FXUUESPYFWDHLU-CQSZACIVSA-N 0 1 329.379 1.077 50 30 EDEAMN CCCc1cc(=O)[n-]c(NC(=[NH2+])Nc2ccc3c(c2)OCCO3)n1 ZINC000005126849 440937246 /nfs/dbraw/zinc/93/72/46/440937246.db2.gz IKKQWLFCISKHDW-UHFFFAOYSA-N 0 1 329.360 1.552 50 30 EDEAMN Cc1nc([C@H]2CN(C(=O)[C@@H](C)Oc3cccc(C#N)c3)CCO2)n[nH]1 ZINC000072299540 441226110 /nfs/dbraw/zinc/22/61/10/441226110.db2.gz ICQKRVODLFSBJT-IAQYHMDHSA-N 0 1 341.371 1.352 50 30 EDEAMN C=CCn1cc(CNCCn2[nH]c(=O)c3ccccc3c2=O)c(C)n1 ZINC000063832753 441356824 /nfs/dbraw/zinc/35/68/24/441356824.db2.gz MVMYUKMZPRKQSO-UHFFFAOYSA-N 0 1 339.399 1.583 50 30 EDEAMN C=CCN1CC[C@@]2(CN(c3noc(C4CC4)n3)CCN2C)CCC1=O ZINC000108408715 441452478 /nfs/dbraw/zinc/45/24/78/441452478.db2.gz FZUDZDMDPYEYIE-GOSISDBHSA-N 0 1 345.447 1.636 50 30 EDEAMN CCN(CC)S(=O)(=O)c1ccc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2C)nc1 ZINC000079330773 442041020 /nfs/dbraw/zinc/04/10/20/442041020.db2.gz OYSQRZMSTCHEGT-YUTCNCBUSA-N 0 1 335.429 1.944 50 30 EDEAMN C#CCN1CCC(C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000050028709 518266117 /nfs/dbraw/zinc/26/61/17/518266117.db2.gz VYLUILVHUXILJC-UHFFFAOYSA-N 0 1 331.391 1.568 50 30 EDEAMN C=CCNC(=O)c1n[nH]c2c1CN(C(=O)Cc1ccccc1F)CC2 ZINC000034797343 518946694 /nfs/dbraw/zinc/94/66/94/518946694.db2.gz IOQTYJADRUZMJB-UHFFFAOYSA-N 0 1 342.374 1.592 50 30 EDEAMN Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n[nH]1 ZINC000054774257 214254905 /nfs/dbraw/zinc/25/49/05/214254905.db2.gz IWYVXASLBQFLNC-UHFFFAOYSA-N 0 1 326.360 1.418 50 30 EDEAMN Cn1nc(C(=O)[O-])c2c1CC[N@H+](Cc1ccc(C#CCCO)cc1)C2 ZINC000215715249 241139401 /nfs/dbraw/zinc/13/94/01/241139401.db2.gz VLTOGFSQZDRMKU-UHFFFAOYSA-N 0 1 339.395 1.411 50 30 EDEAMN Cn1nc(C(=O)[O-])c2c1CC[N@@H+](Cc1ccc(C#CCCO)cc1)C2 ZINC000215715249 241139406 /nfs/dbraw/zinc/13/94/06/241139406.db2.gz VLTOGFSQZDRMKU-UHFFFAOYSA-N 0 1 339.395 1.411 50 30 EDEAMN C#C[C@@](C)(CC)OC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000012421444 211374279 /nfs/dbraw/zinc/37/42/79/211374279.db2.gz RNDBEXZLKHMCHR-QUCCMNQESA-N 0 1 346.471 1.997 50 30 EDEAMN C=CCN1CC[C@]2(CN(C(=O)C3CCOCC3)CCN2C)CCC1=O ZINC000091643487 218036766 /nfs/dbraw/zinc/03/67/66/218036766.db2.gz OICYHLBYVCABNA-IBGZPJMESA-N 0 1 349.475 1.124 50 30 EDEAMN CS(=O)(=O)Nc1ccc(C(=N)NOC(=O)Nc2ccccc2)cc1 ZINC000004347325 210176753 /nfs/dbraw/zinc/17/67/53/210176753.db2.gz NYKNHRGWVUXFLQ-UHFFFAOYSA-N 0 1 348.384 1.927 50 30 EDEAMN CC(C)(C)NC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000040002682 213249347 /nfs/dbraw/zinc/24/93/47/213249347.db2.gz YAUMDXTWVVRZFA-UHFFFAOYSA-N 0 1 328.460 1.981 50 30 EDEAMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000248278433 299345353 /nfs/dbraw/zinc/34/53/53/299345353.db2.gz ZSADEPXEBQWUAU-XEZPLFJOSA-N 0 1 349.456 1.243 50 30 EDEAMN C=CCOc1cc(N(CC)CC)ccc1C=C1C(=O)NC(=O)NC1=O ZINC000004859511 210303009 /nfs/dbraw/zinc/30/30/09/210303009.db2.gz FXRBKGPMVONRHQ-UHFFFAOYSA-N 0 1 343.383 1.847 50 30 EDEAMN COCCN1C[C@H](CN2CCN(c3ccccc3C#N)CC2)CC1=O ZINC000299756152 258074129 /nfs/dbraw/zinc/07/41/29/258074129.db2.gz DIWXHPYPHSUMQB-INIZCTEOSA-N 0 1 342.443 1.175 50 30 EDEAMN CC(C)(O)C#Cc1cccc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)c1 ZINC000219438794 275863591 /nfs/dbraw/zinc/86/35/91/275863591.db2.gz MSJYUCAIBKFJSI-ROUUACIJSA-N 0 1 342.439 1.402 50 30 EDEAMN Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2=O ZINC000091492920 293346011 /nfs/dbraw/zinc/34/60/11/293346011.db2.gz CBCLYNCDROLTJV-QGZVFWFLSA-N 0 1 328.372 1.052 50 30 EDEAMN C[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)N1CCN(C)CC1 ZINC000071867474 441175393 /nfs/dbraw/zinc/17/53/93/441175393.db2.gz IUNWUWWPLJYZAL-CABCVRRESA-N 0 1 330.432 1.078 50 30 EDEAMN N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000096480861 442139835 /nfs/dbraw/zinc/13/98/35/442139835.db2.gz DXOYYPGYRCHZKX-SJLPKXTDSA-N 0 1 338.411 1.499 50 30 EDEAMN C[C@@](C#N)(NC(=O)CN1CCC[C@@H](C(=O)NCC2CC2)C1)C1CC1 ZINC000229856777 443131558 /nfs/dbraw/zinc/13/15/58/443131558.db2.gz DMHHTFPGWXWPJP-KDOFPFPSSA-N 0 1 332.448 1.033 50 30 EDEAMN C[C@@H](NC(=O)CN(C)c1ncnc2[nH]cnc21)c1ccc(C#N)cc1 ZINC000056752572 214387216 /nfs/dbraw/zinc/38/72/16/214387216.db2.gz MRQPLORNBGFQOY-LLVKDONJSA-N 0 1 335.371 1.538 50 30 EDEAMN CN(C)C(=O)CN1C[C@H]2CC[C@H](CN2Cc2ccccc2C#N)C1 ZINC000091519333 218016624 /nfs/dbraw/zinc/01/66/24/218016624.db2.gz YKPFQVWIRPITLJ-MAUKXSAKSA-N 0 1 326.444 1.543 50 30 EDEAMN C=CCN1C(=O)NC(=O)C(=C(C)Nc2cccc(N(C)C)c2)C1=O ZINC000008997153 211030065 /nfs/dbraw/zinc/03/00/65/211030065.db2.gz DAJXZUXTUFLSSV-SDNWHVSQSA-N 0 1 328.372 1.703 50 30 EDEAMN CCOc1ccc2[nH]c(=NN=C3C(=O)NC(=S)NC3=O)sc2c1 ZINC000005884396 440972951 /nfs/dbraw/zinc/97/29/51/440972951.db2.gz WCXNWVCBDHKRMD-UHFFFAOYSA-N 0 1 349.397 1.834 50 30 EDEAMN COc1cccc(C=NN2C(=S)N=NC2c2cc(C)n[nH]2)c1O ZINC000013655728 441163783 /nfs/dbraw/zinc/16/37/83/441163783.db2.gz OOTYXRHFQMLHLX-VIZOYTHASA-N 0 1 330.373 1.862 50 30 EDEAMN C[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)N1CCN(C)CC1 ZINC000071867473 441175946 /nfs/dbraw/zinc/17/59/46/441175946.db2.gz IUNWUWWPLJYZAL-GJZGRUSLSA-N 0 1 330.432 1.078 50 30 EDEAMN CCOC(=O)C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000024364563 441308957 /nfs/dbraw/zinc/30/89/57/441308957.db2.gz MMACZRWSAJMLPZ-MRXNPFEDSA-N 0 1 332.400 1.573 50 30 EDEAMN CC(=O)N1CCN([C@@H]2CN(Cc3ccccc3C#N)C[C@@H]2C)CC1 ZINC000107141870 441401226 /nfs/dbraw/zinc/40/12/26/441401226.db2.gz BCOZRICNIQOZFF-HNAYVOBHSA-N 0 1 326.444 1.543 50 30 EDEAMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000195571560 443034320 /nfs/dbraw/zinc/03/43/20/443034320.db2.gz NTRCUMSESWJOKY-CYBMUJFWSA-N 0 1 348.422 1.684 50 30 EDEAMN Cc1n[nH]c(=S)n(N=Cc2cc(Br)ccc2O)c1=O ZINC000100151835 219093455 /nfs/dbraw/zinc/09/34/55/219093455.db2.gz VBRWUMJDLUWHDQ-WLRTZDKTSA-N 0 1 341.190 1.960 50 30 EDEAMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1cccc(C#N)c1 ZINC000069329332 215379713 /nfs/dbraw/zinc/37/97/13/215379713.db2.gz LRSNOMQCAKMQHF-UHFFFAOYSA-N 0 1 344.440 1.706 50 30 EDEAMN Cc1nnc(NCc2ccc(N3CCN(C)CC3)nc2)c(C#N)c1C ZINC000044907175 440906531 /nfs/dbraw/zinc/90/65/31/440906531.db2.gz GCPSPCDULZMEHR-UHFFFAOYSA-N 0 1 337.431 1.724 50 30 EDEAMN N#CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000006658717 441004063 /nfs/dbraw/zinc/00/40/63/441004063.db2.gz HMZSVFPDKHORKE-RGHHBTPQSA-N 0 1 349.437 1.197 50 30 EDEAMN N#Cc1ccc(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000108141111 441437221 /nfs/dbraw/zinc/43/72/21/441437221.db2.gz KQEXYTKDTAIWLO-RBUKOAKNSA-N 0 1 335.407 1.923 50 30 EDEAMN N#Cc1ccccc1CN1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000077341951 441759769 /nfs/dbraw/zinc/75/97/69/441759769.db2.gz VHXXHTKDQAUGNC-IBGZPJMESA-N 0 1 327.428 1.755 50 30 EDEAMN C=CCOC[C@@H](O)CN(CCOC)Cc1cc(OC)cc(OC)c1 ZINC000036095052 213063974 /nfs/dbraw/zinc/06/39/74/213063974.db2.gz VAQRQNUANKANQL-INIZCTEOSA-N 0 1 339.432 1.716 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(CC)s3)C[C@]2(C(=O)[O-])C1 ZINC000092022780 218105242 /nfs/dbraw/zinc/10/52/42/218105242.db2.gz FVWLOHHGOCLUHE-SJKOYZFVSA-N 0 1 334.441 1.955 50 30 EDEAMN COc1ccc([C@H]2c3c([nH]c(=S)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 ZINC000221274764 295252903 /nfs/dbraw/zinc/25/29/03/295252903.db2.gz GTTJVGQTQGSPIB-VHSXEESVSA-N 0 1 328.353 1.665 50 30 EDEAMN C=CCN1C(=O)NC(=O)C(=C(C)Nc2ccc(N(C)C)cc2)C1=O ZINC000018206398 441249743 /nfs/dbraw/zinc/24/97/43/441249743.db2.gz ZEVBUWAAEZLNGI-KAMYIIQDSA-N 0 1 328.372 1.703 50 30 EDEAMN CC(C)N1C(=O)N[C@]2(CCN(CCOc3ccccc3C#N)C2)C1=O ZINC000084597364 441408088 /nfs/dbraw/zinc/40/80/88/441408088.db2.gz HUJRYRULQSKWTN-SFHVURJKSA-N 0 1 342.399 1.342 50 30 EDEAMN CN(CC#CCNS(=O)(=O)c1cccnc1)Cc1ccccc1 ZINC000085470660 441443835 /nfs/dbraw/zinc/44/38/35/441443835.db2.gz UMMHHEUMHDGWBP-UHFFFAOYSA-N 0 1 329.425 1.495 50 30 EDEAMN CN(CCC#N)C(=O)CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065964839 441496990 /nfs/dbraw/zinc/49/69/90/441496990.db2.gz BPQZOTBEKSGXSR-UHFFFAOYSA-N 0 1 334.464 1.519 50 30 EDEAMN C=CCN1C[C@@]2(C(=O)[O-])C[N@H+](CCCc3ccccc3)C[C@H]2C1=O ZINC000077374950 441766567 /nfs/dbraw/zinc/76/65/67/441766567.db2.gz XEOMENXOSAXHPA-LPHOPBHVSA-N 0 1 328.412 1.650 50 30 EDEAMN CCc1nc([C@@H]2CN(CCOc3ccc(C#N)cc3)CCO2)n[nH]1 ZINC000078892534 441986399 /nfs/dbraw/zinc/98/63/99/441986399.db2.gz VPULZTOZGPZVES-HNNXBMFYSA-N 0 1 327.388 1.691 50 30 EDEAMN C#CCN1CCC(C(=O)N2CC[C@](C(=O)OCC)(C(C)C)C2)CC1 ZINC000192942224 442700339 /nfs/dbraw/zinc/70/03/39/442700339.db2.gz JTQWCYGJASUVOA-LJQANCHMSA-N 0 1 334.460 1.769 50 30 EDEAMN C[S@](=O)C1(CNC(=O)N2CCC[C@H](Cn3ccnn3)C2)CCC1 ZINC000328587573 444387715 /nfs/dbraw/zinc/38/77/15/444387715.db2.gz BVWXVLOHGXQBBP-NPMABZOXSA-N 0 1 339.465 1.205 50 30 EDEAMN C=CCN1CC[C@@]2(CN(C(=O)CCSC)CCN2C)CCC1=O ZINC000091644918 441727216 /nfs/dbraw/zinc/72/72/16/441727216.db2.gz UZSQFKXIPSVFAN-QGZVFWFLSA-N 0 1 339.505 1.451 50 30 EDEAMN N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C[C@H](O)[C@@H]2CCCO2)CC1 ZINC000079076602 442016488 /nfs/dbraw/zinc/01/64/88/442016488.db2.gz OXDVMTSAUGJMRX-IRXDYDNUSA-N 0 1 346.387 1.128 50 30 EDEAMN N#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000253409454 443058318 /nfs/dbraw/zinc/05/83/18/443058318.db2.gz LWAHLOLLJUYNGS-RBUKOAKNSA-N 0 1 335.407 1.781 50 30 EDEAMN O=C(N[C@H]1CCS(=O)(=O)C1)C1=CCC(=Nc2ncccn2)C=C1 ZINC000334159273 444793065 /nfs/dbraw/zinc/79/30/65/444793065.db2.gz PUKMYPVYQSVPIJ-ZDUSSCGKSA-N 0 1 332.385 1.221 50 30 EDEAMN C=CCc1ccc(OC[C@H](O)CN2CCN(CC)CC2)c(OC)c1 ZINC000019790624 212068082 /nfs/dbraw/zinc/06/80/82/212068082.db2.gz OBKIMFUQTIYPID-QGZVFWFLSA-N 0 1 334.460 1.801 50 30 EDEAMN C=CC[C@@]1(CO)CCCN(Cc2cnc(N3CCOCC3)nc2)C1 ZINC000091746608 218058163 /nfs/dbraw/zinc/05/81/63/218058163.db2.gz WOUOQTQRGCURHQ-GOSISDBHSA-N 0 1 332.448 1.464 50 30 EDEAMN OCCN(CC#CC[C@](O)(c1ccccc1)C1CCCC1)CCO ZINC000002266864 440860599 /nfs/dbraw/zinc/86/05/99/440860599.db2.gz YUWZIFHFZSPRPN-FQEVSTJZSA-N 0 1 331.456 1.745 50 30 EDEAMN C=CCN1C(=O)NC(=O)C(=C(CC)NCc2ccc(F)cc2)C1=O ZINC000005817495 440969754 /nfs/dbraw/zinc/96/97/54/440969754.db2.gz FAVABEPGOXVDCP-BUHFOSPRSA-N 0 1 331.347 1.844 50 30 EDEAMN CN(C)c1nc(=NN=Cc2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH]1 ZINC000004653781 440924397 /nfs/dbraw/zinc/92/43/97/440924397.db2.gz PFHNAMMWRSXVDY-OQLLNIDSSA-N 0 1 330.352 1.358 50 30 EDEAMN N#C[C@@H](c1ccccc1)N1CCN(CCC(=O)N2CCOCC2)CC1 ZINC000080904525 441206578 /nfs/dbraw/zinc/20/65/78/441206578.db2.gz ZAUKIFKOHXFAFE-SFHVURJKSA-N 0 1 342.443 1.118 50 30 EDEAMN N#Cc1ccccc1OCC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000048480821 441308455 /nfs/dbraw/zinc/30/84/55/441308455.db2.gz XEXNHSSKHHMUBK-UHFFFAOYSA-N 0 1 343.427 1.508 50 30 EDEAMN N#Cc1cccc(NC(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)c1 ZINC000095520328 441946516 /nfs/dbraw/zinc/94/65/16/441946516.db2.gz CWMAVERDCDGRDN-KRWDZBQOSA-N 0 1 328.416 1.869 50 30 EDEAMN C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@H+](C)Cc1nc(C)no1)C2 ZINC000067697385 215189467 /nfs/dbraw/zinc/18/94/67/215189467.db2.gz QMSGTRHWJBOSNM-NSHDSACASA-N 0 1 331.376 1.448 50 30 EDEAMN C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@@H+](C)Cc1nc(C)no1)C2 ZINC000067697385 215189471 /nfs/dbraw/zinc/18/94/71/215189471.db2.gz QMSGTRHWJBOSNM-NSHDSACASA-N 0 1 331.376 1.448 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@]2(C(=O)[O-])C1 ZINC000091468597 218011257 /nfs/dbraw/zinc/01/12/57/218011257.db2.gz ZLMZGSFYHZVJJE-RDTXWAMCSA-N 0 1 348.830 1.914 50 30 EDEAMN N#CC1(NC(=O)CN2CCN(CCc3cccs3)CC2)CCCC1 ZINC000058157864 441154577 /nfs/dbraw/zinc/15/45/77/441154577.db2.gz LHXHPHQJUNNNDV-UHFFFAOYSA-N 0 1 346.500 1.861 50 30 EDEAMN CCCN1CCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000013544900 441159830 /nfs/dbraw/zinc/15/98/30/441159830.db2.gz KTCNNLGVQXPGDT-UHFFFAOYSA-N 0 1 342.490 1.279 50 30 EDEAMN C=CCN1C[C@@H](C(=O)N(C)CCc2nc3ccc(F)cc3[nH]2)CC1=O ZINC000219761140 534853942 /nfs/dbraw/zinc/85/39/42/534853942.db2.gz MUOVNAYUXWZWLZ-LBPRGKRZSA-N 0 1 344.390 1.737 50 30 EDEAMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CCO1 ZINC000262166834 139256764 /nfs/dbraw/zinc/25/67/64/139256764.db2.gz UISCXTVPLHJHRA-OAHLLOKOSA-N 0 1 344.415 1.054 50 30 EDEAMN CC(=Cc1cnc(N2CCOCC2)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193611695 533413716 /nfs/dbraw/zinc/41/37/16/533413716.db2.gz VARJPQMUZJREEL-JXMROGBWSA-N 0 1 343.412 1.804 50 30 EDEAMN C=CCNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000003291947 440894992 /nfs/dbraw/zinc/89/49/92/440894992.db2.gz BFDJTRYIKHBBEO-UHFFFAOYSA-N 0 1 349.441 1.750 50 30 EDEAMN COc1ccc(N2CCN(C(=N)Nc3nc(C)cc(C)n3)CC2)cc1 ZINC000006275800 440985576 /nfs/dbraw/zinc/98/55/76/440985576.db2.gz IVICWFHCELNJGY-UHFFFAOYSA-N 0 1 340.431 1.870 50 30 EDEAMN C[C@@H](O)CN1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000071864270 441173790 /nfs/dbraw/zinc/17/37/90/441173790.db2.gz FMSDBWWSDIBCFD-JKSUJKDBSA-N 0 1 336.480 1.058 50 30 EDEAMN C=CCNC(=O)CSc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000058193057 441157758 /nfs/dbraw/zinc/15/77/58/441157758.db2.gz NKEZJRWAUFJVBX-UHFFFAOYSA-N 0 1 334.401 1.883 50 30 EDEAMN CC(C)N(CCC(=O)N1CCNCC1)C(=O)c1ccc(C#N)cc1 ZINC000065314946 441417802 /nfs/dbraw/zinc/41/78/02/441417802.db2.gz NWQGLQPPXLSRAB-UHFFFAOYSA-N 0 1 328.416 1.231 50 30 EDEAMN Cc1[nH]c(=O)c(C#N)cc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000223345213 443089094 /nfs/dbraw/zinc/08/90/94/443089094.db2.gz XIZYLSACSKWNIA-PVXIVEMSSA-N 0 1 338.367 1.192 50 30 EDEAMN CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000019882027 202024802 /nfs/dbraw/zinc/02/48/02/202024802.db2.gz ISFDBCXWOCEZII-AWEZNQCLSA-N 0 1 333.344 1.441 50 30 EDEAMN C=CCN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5 ZINC000000389747 440818922 /nfs/dbraw/zinc/81/89/22/440818922.db2.gz UZHSEJADLWPNLE-GRGSLBFTSA-N 0 1 327.380 1.301 50 30 biogenic,fda EDEAMN CCc1nc(SCC(=O)N(C)Cc2ccccc2)[nH]c(=O)c1C#N ZINC000005238907 440943932 /nfs/dbraw/zinc/94/39/32/440943932.db2.gz OXQGWGGBZQZSMU-UHFFFAOYSA-N 0 1 342.424 1.955 50 30 EDEAMN COC(=O)c1ccc(C=NN2C(=S)N=NC2c2cc(C)n[nH]2)cc1 ZINC000005625917 440961320 /nfs/dbraw/zinc/96/13/20/440961320.db2.gz MJFLXUQRBBAKCD-LZYBPNLTSA-N 0 1 342.384 1.934 50 30 EDEAMN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)NC1(C#N)CCCC1 ZINC000069947799 441093975 /nfs/dbraw/zinc/09/39/75/441093975.db2.gz WWEQVPVLSLZAMH-HOTGVXAUSA-N 0 1 332.448 1.414 50 30 EDEAMN Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@H]([N@@H+](C)CCN(C)C)C1 ZINC000072143364 441205472 /nfs/dbraw/zinc/20/54/72/441205472.db2.gz BBUNPICZHIKIDP-HNNXBMFYSA-N 0 1 345.447 1.065 50 30 EDEAMN Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@H]([N@H+](C)CCN(C)C)C1 ZINC000072143364 441205474 /nfs/dbraw/zinc/20/54/74/441205474.db2.gz BBUNPICZHIKIDP-HNNXBMFYSA-N 0 1 345.447 1.065 50 30 EDEAMN CC(C)(C)c1nc([C@H]2CN(CCn3cc(C#N)cn3)CCO2)n[nH]1 ZINC000076049944 441586334 /nfs/dbraw/zinc/58/63/34/441586334.db2.gz NBTAQMXLTOYMFB-CYBMUJFWSA-N 0 1 329.408 1.244 50 30 EDEAMN CC(C)(C)c1nnc([C@H]2CN(CCn3cc(C#N)cn3)CCO2)[nH]1 ZINC000076049944 441586339 /nfs/dbraw/zinc/58/63/39/441586339.db2.gz NBTAQMXLTOYMFB-CYBMUJFWSA-N 0 1 329.408 1.244 50 30 EDEAMN CCCCn1c(NN=Cc2cccnc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000033889625 441598827 /nfs/dbraw/zinc/59/88/27/441598827.db2.gz JHHCFRNEZHPHCO-VCHYOVAHSA-N 0 1 341.375 1.064 50 30 EDEAMN C=CCO[C@@H](C)C(=O)Nc1ccccc1OCCN1CCN(C)CC1 ZINC000069847658 442055962 /nfs/dbraw/zinc/05/59/62/442055962.db2.gz YJGNNGIWAAKAOL-INIZCTEOSA-N 0 1 347.459 1.842 50 30 EDEAMN CN(CC(=O)NC1(C#N)CCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000069921084 442074651 /nfs/dbraw/zinc/07/46/51/442074651.db2.gz HUXWGGXURKTNIR-HNNXBMFYSA-N 0 1 342.447 1.330 50 30 EDEAMN N#C[C@H](C(=O)CN1CCCCCCC1=O)c1nnc2n1CCCCC2 ZINC000071803546 203116649 /nfs/dbraw/zinc/11/66/49/203116649.db2.gz AFNFQPXSEPXDAF-CQSZACIVSA-N 0 1 343.431 1.973 50 30 EDEAMN Cc1[nH]c(CN2CCC(c3nnc(CN(C)C)n3C)CC2)cc1C#N ZINC000077503868 203392386 /nfs/dbraw/zinc/39/23/86/203392386.db2.gz USUKBEFLLVEGKM-UHFFFAOYSA-N 0 1 341.463 1.765 50 30 EDEAMN C#CCN1CCC(C(=O)N2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)CC1 ZINC000095400727 218334949 /nfs/dbraw/zinc/33/49/49/218334949.db2.gz IBENUOFIZGOEGV-IRXDYDNUSA-N 0 1 334.460 1.110 50 30 EDEAMN CC[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CCN1C[C@@H](C)O ZINC000084736451 441417618 /nfs/dbraw/zinc/41/76/18/441417618.db2.gz DPHQBRMFDBDLDR-DOMZBBRYSA-N 0 1 348.447 1.484 50 30 EDEAMN C=CCN(CC=C)C(=O)CN1CCC(c2cc(=O)[nH]c(C)n2)CC1 ZINC000065470771 441440066 /nfs/dbraw/zinc/44/00/66/441440066.db2.gz NOFXVERDBUJBHW-UHFFFAOYSA-N 0 1 330.432 1.871 50 30 EDEAMN CN(CC#CCNC(=O)CNC(=O)c1ccccc1)Cc1ccccc1 ZINC000085470600 441443721 /nfs/dbraw/zinc/44/37/21/441443721.db2.gz KXFCLBAGVPLYGO-UHFFFAOYSA-N 0 1 349.434 1.668 50 30 EDEAMN O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000091868876 441749112 /nfs/dbraw/zinc/74/91/12/441749112.db2.gz RFMDVJQUMUQXDQ-CQSZACIVSA-N 0 1 346.412 1.786 50 30 EDEAMN O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000091868876 441749118 /nfs/dbraw/zinc/74/91/18/441749118.db2.gz RFMDVJQUMUQXDQ-CQSZACIVSA-N 0 1 346.412 1.786 50 30 EDEAMN Cc1nc(CN(C)[C@H]2CCN(CCOc3ccccc3C#N)C2)no1 ZINC000078891111 441987031 /nfs/dbraw/zinc/98/70/31/441987031.db2.gz LZBWYDUMIZAAMD-INIZCTEOSA-N 0 1 341.415 1.835 50 30 EDEAMN CCO[C@@H]1C[C@H](NC(=O)NCCN2CC=CCC2)C12CCOCC2 ZINC000328589040 444388579 /nfs/dbraw/zinc/38/85/79/444388579.db2.gz YRPJSHWQFPVSOE-JKSUJKDBSA-N 0 1 337.464 1.726 50 30 EDEAMN CCOC(=O)[C@H](C(C)=O)C1=C([N+](=O)[O-])C(=O)C(=O)c2ccccc21 ZINC000135793270 563993738 /nfs/dbraw/zinc/99/37/38/563993738.db2.gz DMBCTVDLHWYWSC-LLVKDONJSA-N 0 1 331.280 1.208 50 30 EDEAMN Cc1nc([C@H]2CN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CCO2)n[nH]1 ZINC000076045344 202378974 /nfs/dbraw/zinc/37/89/74/202378974.db2.gz JHCVZKSDUJCNRD-IAQYHMDHSA-N 0 1 341.371 1.352 50 30 EDEAMN C=CCN1C(=O)NC(=O)C(=C(CC)NCCc2ccccc2)C1=O ZINC000005817493 440970033 /nfs/dbraw/zinc/97/00/33/440970033.db2.gz VJRHMKVGMWBWCC-CCEZHUSRSA-N 0 1 327.384 1.747 50 30 EDEAMN C[C@@H](O)CC(C)(C)CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000096492619 442143589 /nfs/dbraw/zinc/14/35/89/442143589.db2.gz QKQQQBUOEJNYSR-SECBINFHSA-N 0 1 332.372 1.912 50 30 EDEAMN C=CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)CCC(=O)NCC1 ZINC000257185647 443119830 /nfs/dbraw/zinc/11/98/30/443119830.db2.gz XGYXUJCFGNREEI-QGZVFWFLSA-N 0 1 344.459 1.492 50 30 EDEAMN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCC(N2CCCC2=O)CC1 ZINC000329862610 444744934 /nfs/dbraw/zinc/74/49/34/444744934.db2.gz RGLYSRFTRLAXCG-CYBMUJFWSA-N 0 1 331.420 1.268 50 30 EDEAMN N#Cc1ccc(NC[C@@H]2CCN([C@H](C(N)=O)c3ccccc3)C2)nc1 ZINC000225218282 486832416 /nfs/dbraw/zinc/83/24/16/486832416.db2.gz WOPQUJYETFLUSF-YJBOKZPZSA-N 0 1 335.411 1.914 50 30 EDEAMN C[C@](C#N)(NC(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1)C1CC1 ZINC000047980433 525134236 /nfs/dbraw/zinc/13/42/36/525134236.db2.gz DMHHTFPGWXWPJP-KBXCAEBGSA-N 0 1 332.448 1.033 50 30 EDEAMN Cc1nc([C@@H]2CN(C(=O)CCc3ccc(C#N)cc3)CCO2)n[nH]1 ZINC000076045883 202379722 /nfs/dbraw/zinc/37/97/22/202379722.db2.gz QDRDQDHFBHBMOT-HNNXBMFYSA-N 0 1 325.372 1.518 50 30 EDEAMN C#C[C@@](C)(CC)OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000022918223 212334452 /nfs/dbraw/zinc/33/44/52/212334452.db2.gz JYMRNMLFRMTEBT-UXHICEINSA-N 0 1 330.472 1.984 50 30 EDEAMN Cc1c(C)n(CCN2CCN(c3ncccn3)CC2)c(N)c1C#N ZINC000044895198 440902943 /nfs/dbraw/zinc/90/29/43/440902943.db2.gz JZEVRALFRDQYBF-UHFFFAOYSA-N 0 1 325.420 1.171 50 30 EDEAMN N#CC(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(F)cn1 ZINC000080419628 441168410 /nfs/dbraw/zinc/16/84/10/441168410.db2.gz SNNGEFRSRIFBJM-WPRPVWTQSA-N 0 1 329.253 1.808 50 30 EDEAMN CN(C1CCN(CCOc2cccc(C#N)c2)CC1)S(C)(=O)=O ZINC000058393745 441190321 /nfs/dbraw/zinc/19/03/21/441190321.db2.gz CBLMATPGHOKJHT-UHFFFAOYSA-N 0 1 337.445 1.293 50 30 EDEAMN CC1=C2[C@H]3OC(=O)[C@H](CN4CCN(C)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000020111302 441262101 /nfs/dbraw/zinc/26/21/01/441262101.db2.gz DCDLQZBEQQIOSL-ZDUSMZPESA-N 0 1 344.455 1.647 50 30 EDEAMN CC[C@@H](CO)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083214147 441354930 /nfs/dbraw/zinc/35/49/30/441354930.db2.gz WJLXICVXCRWMIB-GJZGRUSLSA-N 0 1 348.472 1.114 50 30 EDEAMN CC(C)N1C(=O)N[C@]2(CCN(CCOc3cccc(C#N)c3)C2)C1=O ZINC000084597358 441407973 /nfs/dbraw/zinc/40/79/73/441407973.db2.gz VJKYGRNRNWJFLR-SFHVURJKSA-N 0 1 342.399 1.342 50 30 EDEAMN CC[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CCN1C[C@@H](C)O ZINC000084736450 441417357 /nfs/dbraw/zinc/41/73/57/441417357.db2.gz DPHQBRMFDBDLDR-IUODEOHRSA-N 0 1 348.447 1.484 50 30 EDEAMN Cc1nn(C)c(Cl)c1[C@H]1CCCN1CCC(=O)N(CC#N)CC#N ZINC000075605234 441538853 /nfs/dbraw/zinc/53/88/53/441538853.db2.gz NSRLVAMZZPIAON-CYBMUJFWSA-N 0 1 348.838 1.785 50 30 EDEAMN C=CCN(Cc1ccccc1C)C(=O)CN1CCC(C(N)=O)CC1 ZINC000055403563 518786100 /nfs/dbraw/zinc/78/61/00/518786100.db2.gz XJTCCSNAEXGVEK-UHFFFAOYSA-N 0 1 329.444 1.707 50 30 EDEAMN O=S(=O)(NCC#CCN1CCCC1)c1cccc2cccnc21 ZINC000075164710 202377292 /nfs/dbraw/zinc/37/72/92/202377292.db2.gz QHSWUSVZTCYFKK-UHFFFAOYSA-N 0 1 329.425 1.612 50 30 EDEAMN CC1CCN(C(=O)CN2CC[C@H](CNc3ncccc3C#N)C2)CC1 ZINC000065502588 201156101 /nfs/dbraw/zinc/15/61/01/201156101.db2.gz KEARKEOHLLELAK-MRXNPFEDSA-N 0 1 341.459 1.946 50 30 EDEAMN C=CCN1CC2(CCC1=O)CCN(Cc1cncn1CCOC)CC2 ZINC000091808865 218069385 /nfs/dbraw/zinc/06/93/85/218069385.db2.gz QBQBEBMDZLGJPR-UHFFFAOYSA-N 0 1 346.475 1.920 50 30 EDEAMN C#CC(C)(C)OC[C@H](O)CN1CCN(c2ccccc2OC)CC1 ZINC000012381145 207130798 /nfs/dbraw/zinc/13/07/98/207130798.db2.gz BKZSYFPZAIXOAP-MRXNPFEDSA-N 0 1 332.444 1.607 50 30 EDEAMN C#CCCN1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000065516515 441449520 /nfs/dbraw/zinc/44/95/20/441449520.db2.gz GREZLQUWWMXCDC-UHFFFAOYSA-N 0 1 332.411 1.961 50 30 EDEAMN CCc1nc([C@H]2CN(C(=O)COc3ccccc3C#N)CCO2)n[nH]1 ZINC000089289757 441535122 /nfs/dbraw/zinc/53/51/22/441535122.db2.gz CQTYUMWPCGZEDM-CQSZACIVSA-N 0 1 341.371 1.218 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(OC)c3C)C[C@]2(C(=O)[O-])C1 ZINC000092099710 441773914 /nfs/dbraw/zinc/77/39/14/441773914.db2.gz YHWJCYBEJWHVPC-AUUYWEPGSA-N 0 1 344.411 1.648 50 30 EDEAMN C=CCN1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2CO)CC1 ZINC000055405292 214320511 /nfs/dbraw/zinc/32/05/11/214320511.db2.gz QPMCDMSYMJAXMO-IBGZPJMESA-N 0 1 343.471 1.474 50 30 EDEAMN Cc1[nH]c(C[N@H+]2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)cc1C#N ZINC000299780806 258089641 /nfs/dbraw/zinc/08/96/41/258089641.db2.gz CREVNFKSVWVVCE-GXTWGEPZSA-N 0 1 328.376 1.014 50 30 EDEAMN N#CC(C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(F)cn1 ZINC000080419627 441168778 /nfs/dbraw/zinc/16/87/78/441168778.db2.gz SNNGEFRSRIFBJM-WCBMZHEXSA-N 0 1 329.253 1.808 50 30 EDEAMN CNC(=O)CN1CCC(CN(C)c2nc3ccccn3c2C#N)CC1 ZINC000097082528 442163233 /nfs/dbraw/zinc/16/32/33/442163233.db2.gz AIJULCNNYQUJES-UHFFFAOYSA-N 0 1 340.431 1.100 50 30 EDEAMN CCc1nc([C@@H]2CN(C(=O)COc3cccc(C#N)c3)CCO2)n[nH]1 ZINC000083829913 486229043 /nfs/dbraw/zinc/22/90/43/486229043.db2.gz BIKKICHOZSWPBE-AWEZNQCLSA-N 0 1 341.371 1.218 50 30 EDEAMN CCCc1n[nH]c(NC(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC000023541375 521464046 /nfs/dbraw/zinc/46/40/46/521464046.db2.gz UYXOSUWTBRRFEI-UHFFFAOYSA-N 0 1 341.379 1.615 50 30 EDEAMN CCCc1nc(NC(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC000023541375 521464053 /nfs/dbraw/zinc/46/40/53/521464053.db2.gz UYXOSUWTBRRFEI-UHFFFAOYSA-N 0 1 341.379 1.615 50 30 EDEAMN COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCN(C)C)cc1OC ZINC000019923052 202026630 /nfs/dbraw/zinc/02/66/30/202026630.db2.gz AGOLNRFYXBZKGM-INIZCTEOSA-N 0 1 348.399 1.550 50 30 EDEAMN C=CCOC[C@H](O)CN(CCOC)Cc1cc(OC)cc(OC)c1 ZINC000036095053 213062624 /nfs/dbraw/zinc/06/26/24/213062624.db2.gz VAQRQNUANKANQL-MRXNPFEDSA-N 0 1 339.432 1.716 50 30 EDEAMN Cc1nn(C[C@H](O)CN2CCc3ccccc3C2)c(=O)c(C#N)c1C ZINC000071825099 203120570 /nfs/dbraw/zinc/12/05/70/203120570.db2.gz NEXANCRCUGNCIU-QGZVFWFLSA-N 0 1 338.411 1.151 50 30 EDEAMN Cc1nnc(NC[C@H](O)CN2CCc3ccccc3C2)c(C#N)c1C ZINC000046479047 441110924 /nfs/dbraw/zinc/11/09/24/441110924.db2.gz ZIANVWSQYMOACE-KRWDZBQOSA-N 0 1 337.427 1.796 50 30 EDEAMN CCN1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OC)CC1 ZINC000029161550 441449050 /nfs/dbraw/zinc/44/90/50/441449050.db2.gz GOLZCVPGGMWVET-ZDUSSCGKSA-N 0 1 339.399 1.552 50 30 EDEAMN CN1CCN(CCNC(=O)c2ccc(C#N)cn2)[C@@H](c2ccccc2)C1 ZINC000108076337 441435780 /nfs/dbraw/zinc/43/57/80/441435780.db2.gz UYPNCMOAESJCLQ-LJQANCHMSA-N 0 1 349.438 1.672 50 30 EDEAMN CC(C)(C)[C@H](O)CN1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000069979472 215653869 /nfs/dbraw/zinc/65/38/69/215653869.db2.gz OWKGETIUORXXGT-QGZVFWFLSA-N 0 1 329.444 1.917 50 30 EDEAMN C#CCN1CCC(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)CC1 ZINC000072277305 216103870 /nfs/dbraw/zinc/10/38/70/216103870.db2.gz MRBLIGGUYXVHKW-IAGOWNOFSA-N 0 1 336.501 1.845 50 30 EDEAMN Cc1c(C(=O)NC2=NO[C@@H](C)C2)nnn1CCOc1ccc(F)cc1 ZINC000330032675 258002946 /nfs/dbraw/zinc/00/29/46/258002946.db2.gz QMDZLDIXQUFLKH-JTQLQIEISA-N 0 1 347.350 1.657 50 30 EDEAMN CN(C)CCN(Cc1ccccc1F)S(=O)(=O)N(C)CCC#N ZINC000048263727 441280718 /nfs/dbraw/zinc/28/07/18/441280718.db2.gz LQZDQLALGKCTPN-UHFFFAOYSA-N 0 1 342.440 1.280 50 30 EDEAMN CCn1cc(C#N)c(=O)n(CCN(C)Cc2ccc(F)cc2)c1=O ZINC000170595449 442233501 /nfs/dbraw/zinc/23/35/01/442233501.db2.gz WLLOSKOCPTUSBQ-UHFFFAOYSA-N 0 1 330.363 1.173 50 30 EDEAMN C[S@](=O)C1(CNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)CCC1 ZINC000328587574 444387708 /nfs/dbraw/zinc/38/77/08/444387708.db2.gz BVWXVLOHGXQBBP-ZLOXQWCVSA-N 0 1 339.465 1.205 50 30 EDEAMN O=C(CCNC(=O)c1ccco1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000044944182 527559346 /nfs/dbraw/zinc/55/93/46/527559346.db2.gz KPZPUZJPBWWCCB-UHFFFAOYSA-N 0 1 326.316 1.868 50 30 EDEAMN Cc1cccc(S(=O)(=O)N2C[C@]3(C)CN(C)C[C@@]3(C)C2)c1C#N ZINC000863983139 596739887 /nfs/dbraw/zinc/73/98/87/596739887.db2.gz CIPHWPFXWIXWMU-IRXDYDNUSA-N 0 1 333.457 1.829 50 30 EDEAMN N#Cc1ccc(OCCN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000066893659 215091155 /nfs/dbraw/zinc/09/11/55/215091155.db2.gz KNDONNMFOSYZRL-GOSISDBHSA-N 0 1 343.427 1.650 50 30 EDEAMN C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@H+](C)Cc1nonc1C)C2 ZINC000067447304 215147325 /nfs/dbraw/zinc/14/73/25/215147325.db2.gz OMOCFSHTYHWVAZ-LLVKDONJSA-N 0 1 331.376 1.448 50 30 EDEAMN C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@@H+](C)Cc1nonc1C)C2 ZINC000067447304 215147327 /nfs/dbraw/zinc/14/73/27/215147327.db2.gz OMOCFSHTYHWVAZ-LLVKDONJSA-N 0 1 331.376 1.448 50 30 EDEAMN COc1ccc(OC)c([C@H]2C(C(C)=O)=C(O)C(=O)N2CCN(C)C)c1 ZINC000019882040 212078774 /nfs/dbraw/zinc/07/87/74/212078774.db2.gz BXYBRGVFQHVQQF-INIZCTEOSA-N 0 1 348.399 1.550 50 30 EDEAMN CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019790133 212066742 /nfs/dbraw/zinc/06/67/42/212066742.db2.gz JWCPQSDWUQRUSN-CQSZACIVSA-N 0 1 333.344 1.441 50 30 EDEAMN Nn1cnnc1N=NCc1cc(Cl)cc(Br)c1O ZINC000004954505 210339144 /nfs/dbraw/zinc/33/91/44/210339144.db2.gz AWVQQAJOGRWBQR-QLKAYGNNSA-N 0 1 331.561 1.559 50 30 EDEAMN CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1cccnc1C#N ZINC000277048751 257988491 /nfs/dbraw/zinc/98/84/91/257988491.db2.gz QBXUPTBBDJPKKE-UHFFFAOYSA-N 0 1 344.440 1.706 50 30 EDEAMN Cc1n[nH]c(=S)n(N=Cc2ccc(O)c(Br)c2)c1=O ZINC000000553090 440829351 /nfs/dbraw/zinc/82/93/51/440829351.db2.gz WTKDCIMVJWFIMT-WLRTZDKTSA-N 0 1 341.190 1.960 50 30 EDEAMN C=CCn1c(=O)[nH]c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1=O ZINC000018205663 441249428 /nfs/dbraw/zinc/24/94/28/441249428.db2.gz MIYKTYQBWVCJOP-HNNXBMFYSA-N 0 1 338.367 1.145 50 30 EDEAMN CC(C)c1nc(CN(C)[C@@H]2CCN(CCn3cc(C#N)cn3)C2)no1 ZINC000076047416 441584903 /nfs/dbraw/zinc/58/49/03/441584903.db2.gz RCIHCXMNNIKDRI-OAHLLOKOSA-N 0 1 343.435 1.467 50 30 EDEAMN N#CC1(CS(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000095944260 441955934 /nfs/dbraw/zinc/95/59/34/441955934.db2.gz YDGGCHOBOVONDB-MRXNPFEDSA-N 0 1 333.457 1.874 50 30 EDEAMN C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CCN1CC(F)(F)F ZINC000329702477 444686110 /nfs/dbraw/zinc/68/61/10/444686110.db2.gz HVJOFJLIMFZTBU-GHMZBOCLSA-N 0 1 345.369 1.749 50 30 EDEAMN COc1ccc(C(=N)NOC(=O)COc2ccccc2OC)cc1 ZINC000018285227 523365968 /nfs/dbraw/zinc/36/59/68/523365968.db2.gz OVFHTWKRLNDDGE-UHFFFAOYSA-N 0 1 330.340 1.946 50 30 EDEAMN O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053526804 214187292 /nfs/dbraw/zinc/18/72/92/214187292.db2.gz YXSCWIQOIWSWLB-UHFFFAOYSA-N 0 1 347.342 1.673 50 30 EDEAMN CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000019882062 212079619 /nfs/dbraw/zinc/07/96/19/212079619.db2.gz VXZWRHYINGXEBW-CQSZACIVSA-N 0 1 333.344 1.441 50 30 EDEAMN COc1c([C@H]2CCCN2CCC(=O)N(CC#N)CC#N)c(C)nn1C ZINC000072253798 441209820 /nfs/dbraw/zinc/20/98/20/441209820.db2.gz KJAXNJJLGHYODM-CQSZACIVSA-N 0 1 344.419 1.140 50 30 EDEAMN C=C(Br)CN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000105915112 441315857 /nfs/dbraw/zinc/31/58/57/441315857.db2.gz ZHQMZPVSQCKJTR-OAHLLOKOSA-N 0 1 346.313 1.622 50 30 EDEAMN CC[C@H](CO)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083214151 441355010 /nfs/dbraw/zinc/35/50/10/441355010.db2.gz WJLXICVXCRWMIB-CABCVRRESA-N 0 1 348.472 1.114 50 30 EDEAMN CN(C)CC#CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000075164363 441506245 /nfs/dbraw/zinc/50/62/45/441506245.db2.gz VSWCLURECNBWNU-UHFFFAOYSA-N 0 1 331.235 1.292 50 30 EDEAMN CC(C)(C)NC(=O)CN1CCC(CNc2nccnc2C#N)CC1 ZINC000096456750 442137762 /nfs/dbraw/zinc/13/77/62/442137762.db2.gz WYDKECMULNHHHM-UHFFFAOYSA-N 0 1 330.436 1.387 50 30 EDEAMN O=C(N[C@@H]1CCS(=O)(=O)C1)C1=CCC(=Nc2ncccn2)C=C1 ZINC000334159272 444792947 /nfs/dbraw/zinc/79/29/47/444792947.db2.gz PUKMYPVYQSVPIJ-CYBMUJFWSA-N 0 1 332.385 1.221 50 30 EDEAMN CCCc1cc(=O)[n-]c(NC(=[NH2+])Nc2ccc(OC)cc2OC)n1 ZINC000020101070 521342931 /nfs/dbraw/zinc/34/29/31/521342931.db2.gz ODRHMEWAXQAAIU-UHFFFAOYSA-N 0 1 331.376 1.798 50 30 EDEAMN Cc1noc([C@]23CN(c4ncc(C#N)cc4F)C[C@H]2CN(C)CC3)n1 ZINC000685940436 539577311 /nfs/dbraw/zinc/57/73/11/539577311.db2.gz LTJGLNDQAAITEN-CXAGYDPISA-N 0 1 342.378 1.494 50 30 EDEAMN C#CCOC[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020707466 212161609 /nfs/dbraw/zinc/16/16/09/212161609.db2.gz HVOBPXXGLKITNG-INIZCTEOSA-N 0 1 342.361 1.838 50 30 EDEAMN CC(C)NC(=O)[C@H](C#N)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O ZINC000101080261 441154391 /nfs/dbraw/zinc/15/43/91/441154391.db2.gz UFTXYPBDSQMOGC-GFCCVEGCSA-N 0 1 343.383 1.377 50 30 EDEAMN C=CCNC(=O)NC(=O)CN(CCCO)[C@@H]1CCc2ccccc21 ZINC000071907414 441191545 /nfs/dbraw/zinc/19/15/45/441191545.db2.gz MSPUCUZXVHRLBN-MRXNPFEDSA-N 0 1 331.416 1.370 50 30 EDEAMN N#CCc1ccc(OCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000072269634 441213335 /nfs/dbraw/zinc/21/33/35/441213335.db2.gz QOEDBHDSEWPHOW-MSOLQXFVSA-N 0 1 343.427 1.189 50 30 EDEAMN C[C@H](NCCNS(=O)(=O)c1cccnc1)c1ccc(C#N)cc1F ZINC000170593675 442233580 /nfs/dbraw/zinc/23/35/80/442233580.db2.gz XVFXQROMYBZELN-LBPRGKRZSA-N 0 1 348.403 1.721 50 30 EDEAMN C[C@H](C(=O)N1CCOCC1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000096445719 525983969 /nfs/dbraw/zinc/98/39/69/525983969.db2.gz FAGHDTDTLQTGOE-MRXNPFEDSA-N 0 1 336.480 1.181 50 30 EDEAMN CCNC(=S)N(C)CCc1cc2c(c(OC)c1/C=N/O)OCO2 ZINC000100756786 219105517 /nfs/dbraw/zinc/10/55/17/219105517.db2.gz PVFPKXMYEYMFNK-CAOOACKPSA-N 0 1 339.417 1.601 50 30 EDEAMN C=CC[N@H+]1C[C@@H]2CN(c3cc(CC)nc(N(C)C)n3)C[C@]2(C(=O)[O-])C1 ZINC000091519071 218016239 /nfs/dbraw/zinc/01/62/39/218016239.db2.gz CFQUUBACPCQKJB-FZKQIMNGSA-N 0 1 345.447 1.114 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(c3cc(CC)nc(N(C)C)n3)C[C@]2(C(=O)[O-])C1 ZINC000091519071 218016241 /nfs/dbraw/zinc/01/62/41/218016241.db2.gz CFQUUBACPCQKJB-FZKQIMNGSA-N 0 1 345.447 1.114 50 30 EDEAMN CN1CCN(C(=O)CC2CCN(Cc3cc(C#N)cs3)CC2)CC1 ZINC000093143013 218198195 /nfs/dbraw/zinc/19/81/95/218198195.db2.gz FAZKYUQKWYSCMW-UHFFFAOYSA-N 0 1 346.500 1.996 50 30 EDEAMN C=CCN1C(=O)NC(=O)C(=CNc2ccc(NC(C)=O)cc2)C1=O ZINC000004819867 210287592 /nfs/dbraw/zinc/28/75/92/210287592.db2.gz UJYFKYDUYZMRLS-UKTHLTGXSA-N 0 1 328.328 1.205 50 30 EDEAMN N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]2CN2CCCC2)cc1 ZINC000081513210 441280759 /nfs/dbraw/zinc/28/07/59/441280759.db2.gz MFJUGMITZNZUPJ-QGZVFWFLSA-N 0 1 347.484 1.892 50 30 EDEAMN COc1ccc(/C(CCN2CCSCC2)=N/NC(N)=S)cc1 ZINC000048524399 441310736 /nfs/dbraw/zinc/31/07/36/441310736.db2.gz JROBYSUWTRFZCB-SAPNQHFASA-N 0 1 338.502 1.671 50 30 EDEAMN CN1CCn2cc(S(=O)(=O)Nc3ccc(C#N)cc3)cc2C1=O ZINC000065254671 441410619 /nfs/dbraw/zinc/41/06/19/441410619.db2.gz LHIHAZGUMJJSAG-UHFFFAOYSA-N 0 1 330.369 1.246 50 30 EDEAMN CC(=O)N1CCN([C@H]2CN(Cc3ccccc3C#N)C[C@@H]2C)CC1 ZINC000078896045 441989321 /nfs/dbraw/zinc/98/93/21/441989321.db2.gz BCOZRICNIQOZFF-KXBFYZLASA-N 0 1 326.444 1.543 50 30 EDEAMN N#Cc1cccnc1NCCNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000096404200 442114010 /nfs/dbraw/zinc/11/40/10/442114010.db2.gz SZNMXMLRKXYBAE-HNNXBMFYSA-N 0 1 328.420 1.245 50 30 EDEAMN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000249239589 442961104 /nfs/dbraw/zinc/96/11/04/442961104.db2.gz WMQVBBDIFWZKBD-CVEARBPZSA-N 0 1 340.427 1.890 50 30 EDEAMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000328588540 444388715 /nfs/dbraw/zinc/38/87/15/444388715.db2.gz HXGLXURGDUZLIV-OKILXGFUSA-N 0 1 343.387 1.661 50 30 EDEAMN [O-]C(N[C@@H]1CCc2c[nH]nc2C1)=[NH+]C1CCN(c2ccccn2)CC1 ZINC000329830285 444732490 /nfs/dbraw/zinc/73/24/90/444732490.db2.gz FAYWDCCHCYCGNM-OAHLLOKOSA-N 0 1 340.431 1.835 50 30 EDEAMN O=C(NC1CCN(c2ccccn2)CC1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329830285 444732494 /nfs/dbraw/zinc/73/24/94/444732494.db2.gz FAYWDCCHCYCGNM-OAHLLOKOSA-N 0 1 340.431 1.835 50 30 EDEAMN CCCN(CC#Cc1ccccc1)C(=O)CN1CCC(C(N)=O)CC1 ZINC000055227234 214292540 /nfs/dbraw/zinc/29/25/40/214292540.db2.gz GYUQUPYACORRPN-UHFFFAOYSA-N 0 1 341.455 1.474 50 30 EDEAMN C#CCNC(=O)CN(Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000069010523 215352300 /nfs/dbraw/zinc/35/23/00/215352300.db2.gz AVDIUHTURVETAD-UHFFFAOYSA-N 0 1 330.428 1.550 50 30 EDEAMN COc1cc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCN(C)C)ccc1O ZINC000019790280 212068126 /nfs/dbraw/zinc/06/81/26/212068126.db2.gz SGOAHANFJXQBPY-OAHLLOKOSA-N 0 1 334.372 1.247 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(OC)cc3C)C[C@]2(C(=O)[O-])C1 ZINC000091649915 218040264 /nfs/dbraw/zinc/04/02/64/218040264.db2.gz IGISZPFLNXJTBU-AUUYWEPGSA-N 0 1 344.411 1.648 50 30 EDEAMN C[C@H]1CN(C2CCN(C(=O)COc3ccc(C#N)cc3)CC2)CCO1 ZINC000071821655 441160055 /nfs/dbraw/zinc/16/00/55/441160055.db2.gz DZWHLTOECCTPRB-HNNXBMFYSA-N 0 1 343.427 1.649 50 30 EDEAMN COc1cc(C=NNc2cn[nH]c(=O)c2Cl)cc([N+](=O)[O-])c1O ZINC000033148353 441590105 /nfs/dbraw/zinc/59/01/05/441590105.db2.gz URFPIRQAZKNALI-CPSFFCFKSA-N 0 1 339.695 1.904 50 30 EDEAMN COc1ccc(-c2n[nH]c(CNC(=O)c3ccc(C#N)c(C)n3)n2)cc1 ZINC000069894570 442068796 /nfs/dbraw/zinc/06/87/96/442068796.db2.gz JSGGRCPCDPZMTC-UHFFFAOYSA-N 0 1 348.366 1.985 50 30 EDEAMN COc1ccc(-c2nc(CNC(=O)c3ccc(C#N)c(C)n3)n[nH]2)cc1 ZINC000069894570 442068803 /nfs/dbraw/zinc/06/88/03/442068803.db2.gz JSGGRCPCDPZMTC-UHFFFAOYSA-N 0 1 348.366 1.985 50 30 EDEAMN C[N@H+](CC(=O)[O-])C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CCO1 ZINC000262166829 443184640 /nfs/dbraw/zinc/18/46/40/443184640.db2.gz UISCXTVPLHJHRA-HNNXBMFYSA-N 0 1 344.415 1.054 50 30 EDEAMN CN(CCC#N)C(=O)CCN1CCCN(C(=O)c2cccs2)CC1 ZINC000095977353 529866951 /nfs/dbraw/zinc/86/69/51/529866951.db2.gz ZIVLMTCSUAPQAG-UHFFFAOYSA-N 0 1 348.472 1.658 50 30 EDEAMN COc1cc(/C=C/C(=O)N2CCN(C)C[C@H]2C)ccc1OCC#N ZINC000089937707 441598729 /nfs/dbraw/zinc/59/87/29/441598729.db2.gz DYFZCEBOGOBXBH-HZRUHFOJSA-N 0 1 329.400 1.773 50 30 EDEAMN COc1ccc(-c2nc(N3CCC(O)CC3)[nH]c(=O)c2C#N)cc1 ZINC000040542912 441627789 /nfs/dbraw/zinc/62/77/89/441627789.db2.gz GKGFODARBGRPCB-UHFFFAOYSA-N 0 1 326.356 1.278 50 30 EDEAMN CN(C)S(=O)(=O)CCCN1CCC(C#N)(c2ccccc2)CC1 ZINC000252495665 443033154 /nfs/dbraw/zinc/03/31/54/443033154.db2.gz OVFXHJRWWDSJTL-UHFFFAOYSA-N 0 1 335.473 1.825 50 30 EDEAMN COc1ccc(CCC(=O)N2CCc3[nH]c(=O)c(C#N)cc3C2)cc1 ZINC000225681140 443117263 /nfs/dbraw/zinc/11/72/63/443117263.db2.gz MOEDFNIWHRPEMZ-UHFFFAOYSA-N 0 1 337.379 1.773 50 30 EDEAMN COC(=O)Cc1cccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)n1 ZINC000328594897 444388641 /nfs/dbraw/zinc/38/86/41/444388641.db2.gz FTCZRWVGKHKNIK-UHFFFAOYSA-N 0 1 343.387 1.945 50 30 EDEAMN CCc1nc([C@H]2CN(C(=O)COc3cccc(C#N)c3)CCO2)n[nH]1 ZINC000083829914 486228716 /nfs/dbraw/zinc/22/87/16/486228716.db2.gz BIKKICHOZSWPBE-CQSZACIVSA-N 0 1 341.371 1.218 50 30 EDEAMN COC(=O)CC(=O)C(N=Nc1cccc(C(F)(F)F)c1)C(=O)OC ZINC000100916590 219110797 /nfs/dbraw/zinc/11/07/97/219110797.db2.gz LLVZWYPXJYKFND-UNOMPAQXSA-N 0 1 346.261 1.779 50 30 EDEAMN CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cccc(C#N)c1)C2 ZINC000091469011 218010631 /nfs/dbraw/zinc/01/06/31/218010631.db2.gz OKVWRKITCBZVMB-IAGOWNOFSA-N 0 1 348.472 1.261 50 30 EDEAMN CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCOC ZINC000003295210 440895434 /nfs/dbraw/zinc/89/54/34/440895434.db2.gz JAIOAPAPZMTCEG-CYBMUJFWSA-N 0 1 341.415 1.846 50 30 EDEAMN Cc1nc([C@H]2CN(C(=O)[C@H](C)Oc3ccccc3C#N)CCO2)n[nH]1 ZINC000076045121 441582230 /nfs/dbraw/zinc/58/22/30/441582230.db2.gz XVRHNOSUZZKPPW-XHDPSFHLSA-N 0 1 341.371 1.352 50 30 EDEAMN CCCc1nc([C@H]2CN(C(=O)c3ccc(C#N)c(C)n3)CCO2)n[nH]1 ZINC000076046049 441583219 /nfs/dbraw/zinc/58/32/19/441583219.db2.gz XUKJLQWUAXUSCX-CQSZACIVSA-N 0 1 340.387 1.546 50 30 EDEAMN CCCc1n[nH]c([C@H]2CN(C(=O)c3ccc(C#N)c(C)n3)CCO2)n1 ZINC000076046049 441583224 /nfs/dbraw/zinc/58/32/24/441583224.db2.gz XUKJLQWUAXUSCX-CQSZACIVSA-N 0 1 340.387 1.546 50 30 EDEAMN CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(C#N)c(=O)[nH]c1C ZINC000077539938 441800555 /nfs/dbraw/zinc/80/05/55/441800555.db2.gz KRJDRBSRUGMMTO-CQSZACIVSA-N 0 1 330.388 1.440 50 30 EDEAMN CC(=O)N1CCN([C@@H]2CN(Cc3ccc(C#N)cc3F)C[C@@H]2C)CC1 ZINC000229306257 443126237 /nfs/dbraw/zinc/12/62/37/443126237.db2.gz XIPCCSSNKPFCAU-IFXJQAMLSA-N 0 1 344.434 1.682 50 30 EDEAMN C=CCn1cc(CNCc2ccc3c(c2)n(C)c(=O)n3C)c(C)n1 ZINC000055227304 519280171 /nfs/dbraw/zinc/28/01/71/519280171.db2.gz GPFBJADGJOGKHE-UHFFFAOYSA-N 0 1 325.416 1.858 50 30 EDEAMN COc1cccc(C=NN=c2cc(N3CCOCC3)[nH]cn2)c1O ZINC000004947123 525771945 /nfs/dbraw/zinc/77/19/45/525771945.db2.gz MMOIGPFXJOLRFW-VXLYETTFSA-N 0 1 329.360 1.473 50 30 EDEAMN COc1cccc(C=NNc2cc(N3CCOCC3)ncn2)c1O ZINC000004947123 525771955 /nfs/dbraw/zinc/77/19/55/525771955.db2.gz MMOIGPFXJOLRFW-VXLYETTFSA-N 0 1 329.360 1.473 50 30 EDEAMN COC(=O)C1=C(C(=O)OC)C(=O)C(c2ccc3ccccc3n2)C1=O ZINC000100350887 219097770 /nfs/dbraw/zinc/09/77/70/219097770.db2.gz PMEDERVRYIMOBD-UHFFFAOYSA-N 0 1 339.303 1.174 50 30 EDEAMN C=CCNC(=O)[C@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000055028624 258014896 /nfs/dbraw/zinc/01/48/96/258014896.db2.gz KVFFSSAYKNQBJH-AWEZNQCLSA-N 0 1 336.480 1.773 50 30 EDEAMN C=CCNC(=O)[C@H](C)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000058392518 441189604 /nfs/dbraw/zinc/18/96/04/441189604.db2.gz CYEWZGXEFSEALT-AWEZNQCLSA-N 0 1 349.500 1.810 50 30 EDEAMN CC(C)CN(CC(=O)N1CCNCC1)C(=O)c1ccc(C#N)cc1 ZINC000033032687 441584641 /nfs/dbraw/zinc/58/46/41/441584641.db2.gz BMTZYICUHOSTIC-UHFFFAOYSA-N 0 1 328.416 1.088 50 30 EDEAMN CC(C)c1nc2c(n1C)CCN(CCC(=O)N(CC#N)CC#N)C2 ZINC000069528775 441964859 /nfs/dbraw/zinc/96/48/59/441964859.db2.gz QASIWXLVHQQVGR-UHFFFAOYSA-N 0 1 328.420 1.167 50 30 EDEAMN N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1ccc(C(F)(F)F)nc1)C2 ZINC000225683652 443118393 /nfs/dbraw/zinc/11/83/93/443118393.db2.gz FAZPTTHPLRZQFV-UHFFFAOYSA-N 0 1 348.284 1.859 50 30 EDEAMN N#CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000006659947 518196325 /nfs/dbraw/zinc/19/63/25/518196325.db2.gz JMKLQBRZYXNQTQ-XTJHUYNNSA-N 0 1 335.410 1.202 50 30 EDEAMN Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CC[C@@](C)(O)[C@@H](CC(C)C)C1 ZINC000067867121 215234474 /nfs/dbraw/zinc/23/44/74/215234474.db2.gz IMAFKFINXIEMHZ-KBXCAEBGSA-N 0 1 331.416 1.814 50 30 EDEAMN COCC[N@H+]1C[C@H](NC(=O)c2cc(C#N)c(=O)[n-]c2C)[C@@H](C2CC2)C1 ZINC000092077365 218116204 /nfs/dbraw/zinc/11/62/04/218116204.db2.gz ZXBJLXAZTJAUJA-CVEARBPZSA-N 0 1 344.415 1.054 50 30 EDEAMN CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(CCn2cc(C#N)cn2)C1 ZINC000095402268 218336957 /nfs/dbraw/zinc/33/69/57/218336957.db2.gz PKFDFNRLLQAWPX-OAHLLOKOSA-N 0 1 341.419 1.221 50 30 EDEAMN N=c1[nH]n(C(=O)c2ccncc2)c(N)c1N=Nc1ccccc1F ZINC000006059552 258012538 /nfs/dbraw/zinc/01/25/38/258012538.db2.gz DPENIOSJVUFDRK-XFSDFTGJSA-N 0 1 325.307 1.604 50 30 EDEAMN COc1ccc([C@H]2c3c([nH]c(=S)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 ZINC000221274648 286380683 /nfs/dbraw/zinc/38/06/83/286380683.db2.gz GTTJVGQTQGSPIB-NXEZZACHSA-N 0 1 328.353 1.665 50 30 EDEAMN C#CCNC(=O)[C@H](C)Sc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000058295021 441174411 /nfs/dbraw/zinc/17/44/11/441174411.db2.gz PFWHQRCRKPWKHD-JTQLQIEISA-N 0 1 346.412 1.719 50 30 EDEAMN C=CCn1nc(C(=O)OCC)c2c1CCN(C(=O)c1cc(C)[nH]n1)C2 ZINC000014746491 441188436 /nfs/dbraw/zinc/18/84/36/441188436.db2.gz UQTCRTLFTQFNMH-UHFFFAOYSA-N 0 1 343.387 1.476 50 30 EDEAMN COc1cc(Br)c(CN=Nc2nn[nH]n2)cc1OC ZINC000028615450 441434134 /nfs/dbraw/zinc/43/41/34/441434134.db2.gz XDMGMJOZYHQJCM-XGICHPGQSA-N 0 1 327.142 1.425 50 30 EDEAMN C=CCN1CC[C@]2(CN(C(=O)N3CCCC3)CCN2C)CCC1=O ZINC000091487174 218013214 /nfs/dbraw/zinc/01/32/14/218013214.db2.gz ONJURKPYMMVINL-SFHVURJKSA-N 0 1 334.464 1.387 50 30 EDEAMN CCn1cc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3CCOC)cc1C#N ZINC000091877214 218083166 /nfs/dbraw/zinc/08/31/66/218083166.db2.gz ONTYBLADMGSMBU-JKSUJKDBSA-N 0 1 330.432 1.449 50 30 EDEAMN C=CCN1C(=O)NC(=O)C(=C(C)NCc2ccc3c(c2)OCO3)C1=O ZINC000005816537 440969731 /nfs/dbraw/zinc/96/97/31/440969731.db2.gz JDMLLDCIHDNPPU-UVTDQMKNSA-N 0 1 343.339 1.043 50 30 EDEAMN COCCN1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000071888410 441185590 /nfs/dbraw/zinc/18/55/90/441185590.db2.gz MOIFIMMLANRLHW-MRXNPFEDSA-N 0 1 337.445 1.088 50 30 EDEAMN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000069952065 441096685 /nfs/dbraw/zinc/09/66/85/441096685.db2.gz HNFKXNZYPPTZBE-DLBZAZTESA-N 0 1 346.475 1.804 50 30 EDEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccccn1 ZINC000015109789 441196039 /nfs/dbraw/zinc/19/60/39/441196039.db2.gz PZILURORAUCJLC-OAHLLOKOSA-N 0 1 342.326 1.791 50 30 EDEAMN C=CCNC(=O)NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000017305996 441241143 /nfs/dbraw/zinc/24/11/43/441241143.db2.gz TWAIEBSANGXOKD-CYBMUJFWSA-N 0 1 342.403 1.272 50 30 EDEAMN CC(=O)N1CCN([C@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]2C)CC1 ZINC000076055251 441588173 /nfs/dbraw/zinc/58/81/73/441588173.db2.gz XIPCCSSNKPFCAU-KUHUBIRLSA-N 0 1 344.434 1.682 50 30 EDEAMN C#CCOC[C@@H](O)CN(CCOC)Cc1cc(OC)cc(OC)c1 ZINC000036095058 441605953 /nfs/dbraw/zinc/60/59/53/441605953.db2.gz MPAYLGNMXLEIED-INIZCTEOSA-N 0 1 337.416 1.163 50 30 EDEAMN C[C@H](NC(=O)CN(C)c1ncnc2[nH]cnc21)c1ccc(C#N)cc1 ZINC000056752571 214387596 /nfs/dbraw/zinc/38/75/96/214387596.db2.gz MRQPLORNBGFQOY-NSHDSACASA-N 0 1 335.371 1.538 50 30 EDEAMN C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@@H+](C)Cc1snnc1C)C2 ZINC000067673026 215176643 /nfs/dbraw/zinc/17/66/43/215176643.db2.gz DGDCJRKARJBRJT-NSHDSACASA-N 0 1 347.444 1.917 50 30 EDEAMN N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](N3CCCC3)C2)cc1 ZINC000078993096 217168646 /nfs/dbraw/zinc/16/86/46/217168646.db2.gz LMHSYVNTHFBBAE-KRWDZBQOSA-N 0 1 347.484 1.892 50 30 EDEAMN COc1ccc(NC(=[NH2+])Nc2nc3c(c(=O)[n-]2)CCCC3)c(OC)c1 ZINC000013549283 211575561 /nfs/dbraw/zinc/57/55/61/211575561.db2.gz VVDLDSRUVNTTPY-UHFFFAOYSA-N 0 1 343.387 1.724 50 30 EDEAMN C#C[C@](C)(CC)OC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000012421445 211375138 /nfs/dbraw/zinc/37/51/38/211375138.db2.gz RNDBEXZLKHMCHR-UYAOXDASSA-N 0 1 346.471 1.997 50 30 EDEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CC#N)cc2)n1 ZINC000005925229 210559061 /nfs/dbraw/zinc/55/90/61/210559061.db2.gz CIPQWGJUJZMIOZ-UHFFFAOYSA-N 0 1 345.384 1.746 50 30 EDEAMN Cc1nnc(N=NCc2ccncc2)nc1N=NCc1ccncc1 ZINC000011990580 441126615 /nfs/dbraw/zinc/12/66/15/441126615.db2.gz QPDRMPNCAPYEAY-ROUMAOROSA-N 0 1 333.359 1.862 50 30 EDEAMN N#Cc1ccc(N2CCN(CCC(=O)N3CCOCC3)CC2)c(F)c1 ZINC000058328596 441180023 /nfs/dbraw/zinc/18/00/23/441180023.db2.gz ALLCVPAIOZWIOG-UHFFFAOYSA-N 0 1 346.406 1.068 50 30 EDEAMN CCc1nc([C@@H]2CN(C(=O)COc3ccc(C#N)cc3)CCO2)n[nH]1 ZINC000083829910 441377254 /nfs/dbraw/zinc/37/72/54/441377254.db2.gz DYGWBIAMBRYQPO-AWEZNQCLSA-N 0 1 341.371 1.218 50 30 EDEAMN C=CCN1CC[C@@]2(CN(Cc3nccs3)CC[N@@H+]2C)CCC1=O ZINC000107409658 441415099 /nfs/dbraw/zinc/41/50/99/441415099.db2.gz OGAYTWIBEIUVIL-QGZVFWFLSA-N 0 1 334.489 1.828 50 30 EDEAMN C=CCN1CC[C@@]2(CN(Cc3nccs3)CCN2C)CCC1=O ZINC000107409658 441415103 /nfs/dbraw/zinc/41/51/03/441415103.db2.gz OGAYTWIBEIUVIL-QGZVFWFLSA-N 0 1 334.489 1.828 50 30 EDEAMN C#CCC1(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CCC1 ZINC000095444814 441928466 /nfs/dbraw/zinc/92/84/66/441928466.db2.gz KJFADCGZSNFLLO-UHFFFAOYSA-N 0 1 326.444 1.643 50 30 EDEAMN C[C@@H](NCCNS(=O)(=O)c1cccnc1)c1ccc(C#N)cc1F ZINC000170593676 442233183 /nfs/dbraw/zinc/23/31/83/442233183.db2.gz XVFXQROMYBZELN-GFCCVEGCSA-N 0 1 348.403 1.721 50 30 EDEAMN COCc1noc([C@@H]2CN(Cc3ccccc3C#N)C[C@H]2COC)n1 ZINC000257193986 443122435 /nfs/dbraw/zinc/12/24/35/443122435.db2.gz SHYKMXKGIVEWKP-JKSUJKDBSA-N 0 1 342.399 1.950 50 30 EDEAMN COc1cc(C#N)ccc1OCCN1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000285842292 444125768 /nfs/dbraw/zinc/12/57/68/444125768.db2.gz GIYQPEVIEHYOJD-KGLIPLIRSA-N 0 1 330.388 1.044 50 30 EDEAMN CCc1nc([C@@H]2CN(CCOc3ccccc3C#N)CCO2)n[nH]1 ZINC000083830134 486230368 /nfs/dbraw/zinc/23/03/68/486230368.db2.gz WEYVSIWGDBDRBI-HNNXBMFYSA-N 0 1 327.388 1.691 50 30 EDEAMN C=CCC[C@@H](O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000096473612 527456834 /nfs/dbraw/zinc/45/68/34/527456834.db2.gz RLNIAEKPMNGIKT-GFCCVEGCSA-N 0 1 330.354 1.945 50 30 EDEAMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(CC(C)(C)O)CC1 ZINC000069663829 289383106 /nfs/dbraw/zinc/38/31/06/289383106.db2.gz ULKRUTQQWGBDOD-CQSZACIVSA-N 0 1 330.432 1.274 50 30 EDEAMN C=CCNC(=O)[C@@H](C)N1CCC(C(=O)Nc2cnn(CC)c2)CC1 ZINC000058406968 441191847 /nfs/dbraw/zinc/19/18/47/441191847.db2.gz BYPVTIJONTUBJQ-CYBMUJFWSA-N 0 1 333.436 1.244 50 30 EDEAMN Cc1nc(CN(C)[C@@H]2CCN(CCOc3cccc(C#N)c3)C2)no1 ZINC000078891062 441987482 /nfs/dbraw/zinc/98/74/82/441987482.db2.gz SRFAQFRBSDPZQN-MRXNPFEDSA-N 0 1 341.415 1.835 50 30 EDEAMN N#Cc1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1Cl ZINC000247601686 442863257 /nfs/dbraw/zinc/86/32/57/442863257.db2.gz URMWGHHDIVPUOB-LBPRGKRZSA-N 0 1 325.821 1.680 50 30 EDEAMN CCc1nc2n(n1)CCC[C@@H]2[NH+]=C([O-])N[C@@H]1CCc2cn[nH]c2C1 ZINC000329830498 444732375 /nfs/dbraw/zinc/73/23/75/444732375.db2.gz KDTYNJDUULJBEN-NEPJUHHUSA-N 0 1 329.408 1.460 50 30 EDEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccncc1 ZINC000019928029 212085505 /nfs/dbraw/zinc/08/55/05/212085505.db2.gz OMZWRPLTYLEIME-OAHLLOKOSA-N 0 1 341.367 1.815 50 30 EDEAMN COc1ccc(OC)c([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCN(C)C)c1 ZINC000019882043 212080213 /nfs/dbraw/zinc/08/02/13/212080213.db2.gz BXYBRGVFQHVQQF-MRXNPFEDSA-N 0 1 348.399 1.550 50 30 EDEAMN C=CCN(CC=C)[C@H](CNc1nc2c(cnn2C)c(=O)[nH]1)C(C)C ZINC000057841323 441137603 /nfs/dbraw/zinc/13/76/03/441137603.db2.gz XROXBFODIORFKR-CQSZACIVSA-N 0 1 330.436 1.767 50 30 EDEAMN N#CC(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1ccc(F)cn1 ZINC000080419614 441168854 /nfs/dbraw/zinc/16/88/54/441168854.db2.gz SNNGEFRSRIFBJM-PSASIEDQSA-N 0 1 329.253 1.808 50 30 EDEAMN C=CCNC(=O)NC(=O)CNC(C)(C)c1ccc2c(c1)OCCO2 ZINC000058427662 441193991 /nfs/dbraw/zinc/19/39/91/441193991.db2.gz OAXZHRHXYZWDSV-UHFFFAOYSA-N 0 1 333.388 1.294 50 30 EDEAMN CC[C@@H](CO)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083214139 441354789 /nfs/dbraw/zinc/35/47/89/441354789.db2.gz WJLXICVXCRWMIB-LSDHHAIUSA-N 0 1 348.472 1.114 50 30 EDEAMN Cc1csc(N2CCN(CCC(=O)N(CC#N)CC#N)C[C@H]2C)n1 ZINC000106775810 441369460 /nfs/dbraw/zinc/36/94/60/441369460.db2.gz GMESCSAPOIVPFI-CQSZACIVSA-N 0 1 346.460 1.228 50 30 EDEAMN CC(=O)N1CCN([C@H]2CN(Cc3ccc(C#N)cc3F)C[C@@H]2C)CC1 ZINC000076055256 441588371 /nfs/dbraw/zinc/58/83/71/441588371.db2.gz XIPCCSSNKPFCAU-LIRRHRJNSA-N 0 1 344.434 1.682 50 30 EDEAMN C=CCc1c(C)nc(N)nc1NC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000095386324 441916203 /nfs/dbraw/zinc/91/62/03/441916203.db2.gz YGBXCFFXTUDJKQ-GFCCVEGCSA-N 0 1 339.465 1.179 50 30 EDEAMN C=C(C)CN1CCC(NC(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC000096408885 442116467 /nfs/dbraw/zinc/11/64/67/442116467.db2.gz QTOJPTOFSRLXDA-JOCHJYFZSA-N 0 1 329.510 1.873 50 30 EDEAMN COCCN1CC[C@H](NC(=O)N2CCC[C@H](c3cc(C)n[nH]3)C2)C1 ZINC000328586334 444387695 /nfs/dbraw/zinc/38/76/95/444387695.db2.gz ZXECZIOBWMRQNV-GJZGRUSLSA-N 0 1 335.452 1.532 50 30 EDEAMN COC(=O)c1cc(C(=O)NCCc2nnc(-c3ccccc3)[nH]2)no1 ZINC000328586989 444387953 /nfs/dbraw/zinc/38/79/53/444387953.db2.gz GUEAHDPVTBBERE-UHFFFAOYSA-N 0 1 341.327 1.794 50 30 EDEAMN CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc2c(c1)OCO2 ZINC000019882058 212079948 /nfs/dbraw/zinc/07/99/48/212079948.db2.gz DWPDGPHNMQJZPX-OAHLLOKOSA-N 0 1 332.356 1.261 50 30 EDEAMN CCC[C@H]1CN(Cc2cc(C#N)n(CC)c2)C[C@@H]1NC(=O)COC ZINC000091656486 218040738 /nfs/dbraw/zinc/04/07/38/218040738.db2.gz SONSFLOZTLIIJC-RDJZCZTQSA-N 0 1 332.448 1.743 50 30 EDEAMN C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1 ZINC000002318065 440860525 /nfs/dbraw/zinc/86/05/25/440860525.db2.gz WDDKAZOGGSLEGT-CYBMUJFWSA-N 0 1 337.383 1.376 50 30 EDEAMN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(CC=C)C2=O)cc1OC ZINC000002932114 440884590 /nfs/dbraw/zinc/88/45/90/440884590.db2.gz ZRYDLZYNDSOAPY-JLHYYAGUSA-N 0 1 342.351 1.908 50 30 EDEAMN C#CCN1CCC(C(=O)O[C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000069980018 441100770 /nfs/dbraw/zinc/10/07/70/441100770.db2.gz QWMLHKICISAYLE-HNNXBMFYSA-N 0 1 328.412 1.580 50 30 EDEAMN N#Cc1ccc(CN2C[C@@H](CO)[C@H](NC(=O)c3ccccc3)C2)cc1 ZINC000253398346 443055548 /nfs/dbraw/zinc/05/55/48/443055548.db2.gz CBLHUGRRQXVQSW-RBUKOAKNSA-N 0 1 335.407 1.781 50 30 EDEAMN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000257365338 443158290 /nfs/dbraw/zinc/15/82/90/443158290.db2.gz NCIUHXBFARGUSH-JFIYKMOQSA-N 0 1 332.448 1.270 50 30 EDEAMN C[C@@H](C(=O)N1CCOCC1)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052799783 214147024 /nfs/dbraw/zinc/14/70/24/214147024.db2.gz XTWXJILEOFWMEY-INIZCTEOSA-N 0 1 342.443 1.318 50 30 EDEAMN COCCOc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000072275940 216101361 /nfs/dbraw/zinc/10/13/61/216101361.db2.gz HOQGADPHLVVTPR-UHFFFAOYSA-N 0 1 333.369 1.779 50 30 EDEAMN CCOc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000019809228 212070947 /nfs/dbraw/zinc/07/09/47/212070947.db2.gz POUOZDDIHDLLSR-MRXNPFEDSA-N 0 1 332.400 1.931 50 30 EDEAMN C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C(=O)N1CCOCC1 ZINC000408473603 158371494 /nfs/dbraw/zinc/37/14/94/158371494.db2.gz CGCAYDWFPSYOMQ-CZUORRHYSA-N 0 1 331.391 1.624 50 30 EDEAMN OCCN(CC#CCC(O)(c1ccccc1)c1ccccc1)CCO ZINC000002317248 440860855 /nfs/dbraw/zinc/86/08/55/440860855.db2.gz CAYMKJGHNLVMTB-UHFFFAOYSA-N 0 1 339.435 1.603 50 30 EDEAMN C=CCN1C[C@H](C(=O)NCc2nc3ccc(OC)cc3[nH]2)CC1=O ZINC000670471683 486563943 /nfs/dbraw/zinc/56/39/43/486563943.db2.gz SJCKTWXDQLVCIF-LLVKDONJSA-N 0 1 328.372 1.222 50 30 EDEAMN CCN(Cc1ccc(C#N)cc1F)C(=O)CN1CCC(C(N)=O)CC1 ZINC000051186332 214082095 /nfs/dbraw/zinc/08/20/95/214082095.db2.gz PXYQXSUXSSWJKW-UHFFFAOYSA-N 0 1 346.406 1.243 50 30 EDEAMN COc1ccc(/C=C/C(=O)NC2(C#N)CCN(C)CC2)cc1OC ZINC000075134013 216571702 /nfs/dbraw/zinc/57/17/02/216571702.db2.gz BGYRMJNVGZPBNQ-FNORWQNLSA-N 0 1 329.400 1.821 50 30 EDEAMN C=CCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(c4ccccc4NC3=O)[C@H]2C1=O ZINC000230047995 242224358 /nfs/dbraw/zinc/22/43/58/242224358.db2.gz LNSZCHNPWZTODN-QCUYGVNKSA-N 0 1 339.395 1.249 50 30 EDEAMN C#CCN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O ZINC000013939666 211657855 /nfs/dbraw/zinc/65/78/55/211657855.db2.gz AHWBPVDVIWSIPL-XFFZJAGNSA-N 0 1 334.309 1.979 50 30 EDEAMN C=CCN1C(=O)N=NC1Sc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000012370015 211357319 /nfs/dbraw/zinc/35/73/19/211357319.db2.gz IHZMRYJVNKQVKJ-UHFFFAOYSA-N 0 1 337.317 1.411 50 30 EDEAMN N#Cc1c[nH]c(C(=O)N2CCN(C(=O)c3[nH]nc4ccccc43)CC2)c1 ZINC000095406899 218343133 /nfs/dbraw/zinc/34/31/33/218343133.db2.gz JFNPHTIMSGCERR-UHFFFAOYSA-N 0 1 348.366 1.361 50 30 EDEAMN COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000002375647 440861388 /nfs/dbraw/zinc/86/13/88/440861388.db2.gz BSIXIZNMAXQWTG-CYBMUJFWSA-N 0 1 339.399 1.600 50 30 EDEAMN COc1ccc(Cl)cc1NC(=N)Nc1nc2c(c(=O)[nH]1)CCC2 ZINC000002484474 440862748 /nfs/dbraw/zinc/86/27/48/440862748.db2.gz NRUNXFHPUPDVSZ-UHFFFAOYSA-N 0 1 333.779 1.979 50 30 EDEAMN Cc1cc(NN=Cc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1 ZINC000004837558 440928380 /nfs/dbraw/zinc/92/83/80/440928380.db2.gz UBKKUJMDJHRIIM-GZTJUZNOSA-N 0 1 342.359 1.976 50 30 EDEAMN CC(=O)N1CCN([C@@H]2CN(Cc3cc(C#N)ccc3F)C[C@@H]2C)CC1 ZINC000107058143 441400338 /nfs/dbraw/zinc/40/03/38/441400338.db2.gz AAOBDRVPHBQHBX-IFXJQAMLSA-N 0 1 344.434 1.682 50 30 EDEAMN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)o1 ZINC000032827213 441574686 /nfs/dbraw/zinc/57/46/86/441574686.db2.gz PBXZBPYABOUCKP-UHFFFAOYSA-N 0 1 325.371 1.715 50 30 EDEAMN O=C(CCNC(=O)c1ccoc1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000044978214 527559568 /nfs/dbraw/zinc/55/95/68/527559568.db2.gz VKLKKMPXMZUHGJ-UHFFFAOYSA-N 0 1 326.316 1.868 50 30 EDEAMN COC(=O)C1=C(O)C2=C(CC1(C)C)N1CCn3cccc3[C@H]1CC2=O ZINC000100151085 219093111 /nfs/dbraw/zinc/09/31/11/219093111.db2.gz BMFKTDSBSRSAPV-WBMJQRKESA-N 0 1 342.395 1.860 50 30 EDEAMN CCn1c(CC2CCN(Cc3ccccc3C#N)CC2)nn(C)c1=O ZINC000067561109 215161549 /nfs/dbraw/zinc/16/15/49/215161549.db2.gz RDLLCJZTFCAMNZ-UHFFFAOYSA-N 0 1 339.443 1.928 50 30 EDEAMN COc1cc(-c2c(C#N)c(N)[nH]c3nc(=S)[nH]c(=O)c2-3)ccc1O ZINC000001797795 286189617 /nfs/dbraw/zinc/18/96/17/286189617.db2.gz HSSAIFWPEFRQKB-UHFFFAOYSA-N 0 1 341.352 1.442 50 30 EDEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccn1 ZINC000102707020 441170646 /nfs/dbraw/zinc/17/06/46/441170646.db2.gz DXDGEHQORFSKTG-DPEHCCBOSA-N 0 1 341.367 1.658 50 30 EDEAMN CCc1cnc(CN(C)[C@@H]2CCN(CCn3cc(C#N)cn3)C2)o1 ZINC000076047775 441584526 /nfs/dbraw/zinc/58/45/26/441584526.db2.gz XXLFHFIWHSIMEA-OAHLLOKOSA-N 0 1 328.420 1.511 50 30 EDEAMN CCN1CCn2cc(S(=O)(=O)Nc3ccc(C#N)cc3)cc2C1=O ZINC000065254716 441410312 /nfs/dbraw/zinc/41/03/12/441410312.db2.gz VLXUZHWHXBKXII-UHFFFAOYSA-N 0 1 344.396 1.636 50 30 EDEAMN Cc1nc([C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C(C)C)n[nH]1 ZINC000076092939 441596272 /nfs/dbraw/zinc/59/62/72/441596272.db2.gz VJLLLBUEQAXNKB-AWEZNQCLSA-N 0 1 333.417 1.802 50 30 EDEAMN COc1cc(/C=C/C(=O)N2CCN(C)C[C@@H]2C)ccc1OCC#N ZINC000089937709 441599176 /nfs/dbraw/zinc/59/91/76/441599176.db2.gz DYFZCEBOGOBXBH-DYLGSBMWSA-N 0 1 329.400 1.773 50 30 EDEAMN CCn1c(NN=Cc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000254735571 443077497 /nfs/dbraw/zinc/07/74/97/443077497.db2.gz LSRPMNWNNUJAQZ-UHFFFAOYSA-N 0 1 346.778 1.955 50 30 EDEAMN N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cc(-c3ccco3)n[nH]1)C2 ZINC000225683342 443118309 /nfs/dbraw/zinc/11/83/09/443118309.db2.gz ZRQUEWDAOMVEHZ-UHFFFAOYSA-N 0 1 335.323 1.428 50 30 EDEAMN COCCN1CC[C@H](NC(=O)N2CCC[C@@H](c3cc(C)n[nH]3)C2)C1 ZINC000328586333 444387816 /nfs/dbraw/zinc/38/78/16/444387816.db2.gz ZXECZIOBWMRQNV-CABCVRRESA-N 0 1 335.452 1.532 50 30 EDEAMN C=CCN1C(=O)NC(=O)/C(=C\c2cc(OC)c(O)c(OC)c2)C1=O ZINC000015659240 518839781 /nfs/dbraw/zinc/83/97/81/518839781.db2.gz OBJZNZZPRJVDBW-UXBLZVDNSA-N 0 1 332.312 1.057 50 30 EDEAMN CC(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc2c(c1)OCO2 ZINC000019882055 212080043 /nfs/dbraw/zinc/08/00/43/212080043.db2.gz DWPDGPHNMQJZPX-HNNXBMFYSA-N 0 1 332.356 1.261 50 30 EDEAMN Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CC[C@]2(C1)CCCN(C)C2=O ZINC000091492921 218013224 /nfs/dbraw/zinc/01/32/24/218013224.db2.gz CBCLYNCDROLTJV-KRWDZBQOSA-N 0 1 328.372 1.052 50 30 EDEAMN CN1CCN(c2cc(CNC(=O)c3ccc(C#N)cc3)ccn2)CC1 ZINC000047398237 441181584 /nfs/dbraw/zinc/18/15/84/441181584.db2.gz PMDUZWAWOBKXEW-UHFFFAOYSA-N 0 1 335.411 1.635 50 30 EDEAMN N#Cc1ccc(OC[C@H](O)CN2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000032768642 441570842 /nfs/dbraw/zinc/57/08/42/441570842.db2.gz HSVDDROCRFSAOM-MJGOQNOKSA-N 0 1 345.443 1.095 50 30 EDEAMN C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000076070654 441593225 /nfs/dbraw/zinc/59/32/25/441593225.db2.gz NXOYEVLUCGNYCP-CQSZACIVSA-N 0 1 348.422 1.595 50 30 EDEAMN N#C[C@@]1(NC(=O)CCN2CCN(c3ccccc3)CC2)CCSC1 ZINC000078964549 442000365 /nfs/dbraw/zinc/00/03/65/442000365.db2.gz BAEZYPURWBUOBB-SFHVURJKSA-N 0 1 344.484 1.714 50 30 EDEAMN N#Cc1ccc(CNCCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000066875082 215090164 /nfs/dbraw/zinc/09/01/64/215090164.db2.gz ZNVIKIBTWMTXEW-UHFFFAOYSA-N 0 1 329.425 1.767 50 30 EDEAMN COCCN1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C2CC2)C1 ZINC000091793430 218067488 /nfs/dbraw/zinc/06/74/88/218067488.db2.gz DJHKFZVWACHIQC-SJORKVTESA-N 0 1 349.456 1.193 50 30 EDEAMN C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C(=O)N1CCOCC1 ZINC000408473633 158372557 /nfs/dbraw/zinc/37/25/57/158372557.db2.gz FBRORLHTFPPXLI-CZUORRHYSA-N 0 1 331.391 1.624 50 30 EDEAMN CCc1nc(SCC(=O)NCCc2ccccc2)[nH]c(=O)c1C#N ZINC000005238899 440943819 /nfs/dbraw/zinc/94/38/19/440943819.db2.gz PXVRXPQNLATAOC-UHFFFAOYSA-N 0 1 342.424 1.655 50 30 EDEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccn1 ZINC000102707023 441170630 /nfs/dbraw/zinc/17/06/30/441170630.db2.gz DXDGEHQORFSKTG-IDTYTIONSA-N 0 1 341.367 1.658 50 30 EDEAMN CN(CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H]1CCCN(C)C1 ZINC000081513527 441280404 /nfs/dbraw/zinc/28/04/04/441280404.db2.gz LWJGHPYJHUADPI-INIZCTEOSA-N 0 1 335.473 1.606 50 30 EDEAMN CC(=O)N1CCN([C@H]2CN(Cc3cc(C#N)ccc3F)C[C@H]2C)CC1 ZINC000076055299 441588744 /nfs/dbraw/zinc/58/87/44/441588744.db2.gz AAOBDRVPHBQHBX-KUHUBIRLSA-N 0 1 344.434 1.682 50 30 EDEAMN C=CCN1C[C@@]2(C(=O)[O-])C[N@@H+](Cc3csc(C(C)=O)c3)C[C@H]2C1=O ZINC000077421294 441776855 /nfs/dbraw/zinc/77/68/55/441776855.db2.gz QLBNLCWTGQSPHF-GUYCJALGSA-N 0 1 348.424 1.482 50 30 EDEAMN Cn1ccnc1CN1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000069534923 441970003 /nfs/dbraw/zinc/97/00/03/441970003.db2.gz WFXIJAPKRFNETO-UHFFFAOYSA-N 0 1 339.443 1.878 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(Cc3cc(C(C)=O)cn3C)C[C@]2(C(=O)[O-])C1 ZINC000096162714 442052468 /nfs/dbraw/zinc/05/24/68/442052468.db2.gz JPKARKRKPRMGAT-CRAIPNDOSA-N 0 1 331.416 1.232 50 30 EDEAMN C[C@@H](C(=O)N1CCOCC1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000096445718 442133970 /nfs/dbraw/zinc/13/39/70/442133970.db2.gz FAGHDTDTLQTGOE-INIZCTEOSA-N 0 1 336.480 1.181 50 30 EDEAMN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000257365339 443158069 /nfs/dbraw/zinc/15/80/69/443158069.db2.gz NCIUHXBFARGUSH-LZLYRXPVSA-N 0 1 332.448 1.270 50 30 EDEAMN C=CCNC(=S)NN=c1nc(SC)[nH]cc1N1CCOCC1 ZINC000005671365 518951045 /nfs/dbraw/zinc/95/10/45/518951045.db2.gz UYRAIDMWVNCVQJ-UHFFFAOYSA-N 0 1 340.478 1.012 50 30 EDEAMN N#Cc1cccc(CNCc2cccnc2N2CCC(C(N)=O)CC2)c1 ZINC000078552520 217073206 /nfs/dbraw/zinc/07/32/06/217073206.db2.gz TZKLTHISJNWAQE-UHFFFAOYSA-N 0 1 349.438 1.945 50 30 EDEAMN CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000069979475 441100548 /nfs/dbraw/zinc/10/05/48/441100548.db2.gz OWKGETIUORXXGT-KRWDZBQOSA-N 0 1 329.444 1.917 50 30 EDEAMN C#CCN1CCC(C(=O)O[C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000069980022 441100664 /nfs/dbraw/zinc/10/06/64/441100664.db2.gz QWMLHKICISAYLE-OAHLLOKOSA-N 0 1 328.412 1.580 50 30 EDEAMN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)N[C@](C)(C#N)C3CC3)C2)n1 ZINC000106783156 441369824 /nfs/dbraw/zinc/36/98/24/441369824.db2.gz GPTCLPPVZLTQRL-MAUKXSAKSA-N 0 1 344.463 1.415 50 30 EDEAMN CC(C)N(C)CC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000075180763 441508033 /nfs/dbraw/zinc/50/80/33/441508033.db2.gz YYFRJIGHDHOVFM-UHFFFAOYSA-N 0 1 330.432 1.798 50 30 EDEAMN C[C@H](Nc1ccc(CCN2CCOCC2)cc1)C(=O)N(C)CCC#N ZINC000079029721 442010721 /nfs/dbraw/zinc/01/07/21/442010721.db2.gz KSJZAKSFWLXSKE-INIZCTEOSA-N 0 1 344.459 1.734 50 30 EDEAMN CN(C)C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cccc(C#N)c1)C2 ZINC000223470370 443089955 /nfs/dbraw/zinc/08/99/55/443089955.db2.gz YXGZCGZQLYPYLR-KRWDZBQOSA-N 0 1 339.399 1.006 50 30 EDEAMN N#Cc1c(N)c([N+](=O)[O-])ccc1N1CCC[C@H](CN2CCOCC2)C1 ZINC000585132989 448704759 /nfs/dbraw/zinc/70/47/59/448704759.db2.gz LNDBIRLDDKAITH-CYBMUJFWSA-N 0 1 345.403 1.597 50 30 EDEAMN C#C[C@](C)(CC)OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000022918228 212334889 /nfs/dbraw/zinc/33/48/89/212334889.db2.gz JYMRNMLFRMTEBT-WOJBJXKFSA-N 0 1 330.472 1.984 50 30 EDEAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CC#N)cc2)n1 ZINC000002748784 440873845 /nfs/dbraw/zinc/87/38/45/440873845.db2.gz SVNNOIOVSCNOFU-UHFFFAOYSA-N 0 1 331.357 1.438 50 30 EDEAMN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000072281850 441219787 /nfs/dbraw/zinc/21/97/87/441219787.db2.gz ZBZOIMHHPLERLE-LBPRGKRZSA-N 0 1 348.834 1.562 50 30 EDEAMN CN1C(=O)N[C@](C)([C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)C1=O ZINC000076058998 441589070 /nfs/dbraw/zinc/58/90/70/441589070.db2.gz BERFHAKWEOAQEX-KBXCAEBGSA-N 0 1 344.390 1.850 50 30 EDEAMN O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000091868877 441749279 /nfs/dbraw/zinc/74/92/79/441749279.db2.gz RFMDVJQUMUQXDQ-AWEZNQCLSA-N 0 1 346.412 1.786 50 30 EDEAMN O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000091868877 441749284 /nfs/dbraw/zinc/74/92/84/441749284.db2.gz RFMDVJQUMUQXDQ-AWEZNQCLSA-N 0 1 346.412 1.786 50 30 EDEAMN Cc1ccc(C#N)c(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1 ZINC000161233065 441976121 /nfs/dbraw/zinc/97/61/21/441976121.db2.gz CXOLVOWNBMZLOU-GOSISDBHSA-N 0 1 343.475 1.493 50 30 EDEAMN C=CCn1c(CN)nnc1SCc1ccc(S(C)(=O)=O)cc1 ZINC000426465271 447448767 /nfs/dbraw/zinc/44/87/67/447448767.db2.gz PPIGTDFELVLQDS-UHFFFAOYSA-N 0 1 338.458 1.619 50 30 EDEAMN N#Cc1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1Cl ZINC000072277709 202360526 /nfs/dbraw/zinc/36/05/26/202360526.db2.gz URMWGHHDIVPUOB-GFCCVEGCSA-N 0 1 325.821 1.680 50 30 EDEAMN N#Cc1ccc(OCC(=O)N2CCC(CN3CCOCC3)CC2)cc1 ZINC000047423102 202581650 /nfs/dbraw/zinc/58/16/50/202581650.db2.gz UKOAOVKKDMYYHR-UHFFFAOYSA-N 0 1 343.427 1.508 50 30 EDEAMN Cc1ccsc1-c1n[nH]c(NC(=O)CN2C(=O)CN(C)C2=O)n1 ZINC000075141382 203307470 /nfs/dbraw/zinc/30/74/70/203307470.db2.gz LLZLGUBCOMENFJ-UHFFFAOYSA-N 0 1 334.361 1.324 50 30 EDEAMN CN1CCN(C)[C@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000076063017 203334153 /nfs/dbraw/zinc/33/41/53/203334153.db2.gz YNZGJOHSDWVGNT-CQSZACIVSA-N 0 1 340.387 1.672 50 30 EDEAMN C=CCN1CC[C@]2(CN(Cc3nccs3)CCN2C)CCC1=O ZINC000091645331 218038769 /nfs/dbraw/zinc/03/87/69/218038769.db2.gz OGAYTWIBEIUVIL-KRWDZBQOSA-N 0 1 334.489 1.828 50 30 EDEAMN C=CCN(CC=C)[C@@H](CNc1nc2c(cnn2C)c(=O)[nH]1)C(C)C ZINC000057841328 441137681 /nfs/dbraw/zinc/13/76/81/441137681.db2.gz XROXBFODIORFKR-AWEZNQCLSA-N 0 1 330.436 1.767 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3cccc(OC)c3)C[C@]2(C(=O)[O-])C1 ZINC000091304051 441693720 /nfs/dbraw/zinc/69/37/20/441693720.db2.gz JIYVKTKCYUXKPB-DNVCBOLYSA-N 0 1 344.411 1.269 50 30 EDEAMN Cc1nc(CN(C)[C@@H]2CCN(CCOc3ccccc3C#N)C2)no1 ZINC000078891107 441986429 /nfs/dbraw/zinc/98/64/29/441986429.db2.gz LZBWYDUMIZAAMD-MRXNPFEDSA-N 0 1 341.415 1.835 50 30 EDEAMN CCN1C[C@H](NC(=O)c2cccc(C#CC(C)(C)O)c2)[C@@H](OC)C1 ZINC000223069408 443084257 /nfs/dbraw/zinc/08/42/57/443084257.db2.gz LWUVDTISOIUHML-IRXDYDNUSA-N 0 1 330.428 1.258 50 30 EDEAMN CCCOc1ccc(C=Nn2c(=O)c(C)n[nH]c2=S)cc1OC ZINC000334159319 444792907 /nfs/dbraw/zinc/79/29/07/444792907.db2.gz HLKPEJZRCUUVLB-UHFFFAOYSA-N 0 1 334.401 1.915 50 30 EDEAMN C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCSc1cn[nH]n1 ZINC000055153878 518918833 /nfs/dbraw/zinc/91/88/33/518918833.db2.gz RBSYODWHCGVXSN-NEPJUHHUSA-N 0 1 337.449 1.122 50 30 EDEAMN O=C[C@@H](O)[C@@H](O)C(=CNNc1ccccc1)NNc1ccccc1 ZINC000017970359 527586053 /nfs/dbraw/zinc/58/60/53/527586053.db2.gz IKUNLGFTFBMATL-OGGSAARZSA-N 0 1 328.372 1.267 50 30 EDEAMN COCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000069623680 203029366 /nfs/dbraw/zinc/02/93/66/203029366.db2.gz SNIFXJOEFKQWBB-ZDUSSCGKSA-N 0 1 341.408 1.086 50 30 EDEAMN CC[C@H]1CN(CC(=O)Nc2sccc2C#N)CCN1C[C@@H](C)O ZINC000084736453 441416875 /nfs/dbraw/zinc/41/68/75/441416875.db2.gz DIIWSCVLPLYXAJ-OCCSQVGLSA-N 0 1 336.461 1.335 50 30 EDEAMN N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000253433206 443070317 /nfs/dbraw/zinc/07/03/17/443070317.db2.gz TZIIUQCNXWLIDG-CQSZACIVSA-N 0 1 334.445 1.592 50 30 EDEAMN Cc1nc(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)c(C)s1 ZINC000329168133 444490432 /nfs/dbraw/zinc/49/04/32/444490432.db2.gz IXZGEXSFIQVXGA-ZDUSSCGKSA-N 0 1 336.461 1.760 50 30 EDEAMN O=C[C@@H](O)[C@H](O)C(=CNNc1ccccc1)NNc1ccccc1 ZINC000015952288 527585082 /nfs/dbraw/zinc/58/50/82/527585082.db2.gz IKUNLGFTFBMATL-BRCWCAAASA-N 0 1 328.372 1.267 50 30 EDEAMN COc1cc(C#N)ccc1OCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000071839909 203125832 /nfs/dbraw/zinc/12/58/32/203125832.db2.gz UKTZRXWWJCSZNI-HNNXBMFYSA-N 0 1 329.400 1.642 50 30 EDEAMN C=CCN1CC[C@@]2(CN(C(=O)c3[nH]cnc3C)CCN2C)CCC1=O ZINC000091425001 218003018 /nfs/dbraw/zinc/00/30/18/218003018.db2.gz XOQUIOPVWJDTHQ-GOSISDBHSA-N 0 1 345.447 1.043 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c(C)noc3C)C[C@]2(C(=O)[O-])C1 ZINC000091657039 218042246 /nfs/dbraw/zinc/04/22/46/218042246.db2.gz FBAFTGYAENYSSQ-RDTXWAMCSA-N 0 1 347.415 1.255 50 30 EDEAMN Cc1nc([C@H]2CN(C(=O)COc3ccc(CC#N)cc3)CCO2)n[nH]1 ZINC000076045741 441583004 /nfs/dbraw/zinc/58/30/04/441583004.db2.gz PEOWAFJZKUIQOK-OAHLLOKOSA-N 0 1 341.371 1.158 50 30 EDEAMN N#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000025694791 202135695 /nfs/dbraw/zinc/13/56/95/202135695.db2.gz HIYQDSJFZQKJAL-UHFFFAOYSA-N 0 1 329.337 1.690 50 30 EDEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccncc1 ZINC000006812716 441018414 /nfs/dbraw/zinc/01/84/14/441018414.db2.gz GJBMAWFZEFHANN-IDTYTIONSA-N 0 1 341.367 1.658 50 30 EDEAMN COc1ccc(CNC(=O)CON=C(N)CN2CCCC[C@@H]2C)cc1 ZINC000065552491 441457039 /nfs/dbraw/zinc/45/70/39/441457039.db2.gz MEXOGKLGBKFPNF-AWEZNQCLSA-N 0 1 348.447 1.475 50 30 EDEAMN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NC3(C#N)CCCC3)C2)n1 ZINC000069841425 442051532 /nfs/dbraw/zinc/05/15/32/442051532.db2.gz OKFFZYRCSFGQOB-INIZCTEOSA-N 0 1 344.463 1.560 50 30 EDEAMN Cc1nc([C@@H](NS(=O)(=O)c2cc(C#N)ccc2C)C(C)C)n[nH]1 ZINC000096454016 442135909 /nfs/dbraw/zinc/13/59/09/442135909.db2.gz JNXSMTXFMXIJKJ-AWEZNQCLSA-N 0 1 333.417 1.969 50 30 EDEAMN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000072281851 441219282 /nfs/dbraw/zinc/21/92/82/441219282.db2.gz ZBZOIMHHPLERLE-GFCCVEGCSA-N 0 1 348.834 1.562 50 30 EDEAMN C[C@H](C(N)=O)N1CCC=C(CCNC(=O)c2cccc(C#N)c2)C1 ZINC000065526649 441452551 /nfs/dbraw/zinc/45/25/51/441452551.db2.gz PSVJGEYGSYJAEG-CYBMUJFWSA-N 0 1 326.400 1.184 50 30 EDEAMN C#CCOC[C@@H](O)CN(CCOC)Cc1cccc(OC)c1OC ZINC000036097156 441606526 /nfs/dbraw/zinc/60/65/26/441606526.db2.gz CCEOXHZDMBMNSH-INIZCTEOSA-N 0 1 337.416 1.163 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3ccccc3F)C[C@]2(C(=O)[O-])C1 ZINC000091586343 441715345 /nfs/dbraw/zinc/71/53/45/441715345.db2.gz OYGFVOZOPLKGSV-DNVCBOLYSA-N 0 1 346.402 1.789 50 30 EDEAMN CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000084281261 486254130 /nfs/dbraw/zinc/25/41/30/486254130.db2.gz RVPSPGWKZUHJSL-KRWDZBQOSA-N 0 1 339.399 1.873 50 30 EDEAMN C[C@@](C#N)(NC(=O)CN1CCN(CCc2cccs2)CC1)C1CC1 ZINC000058135755 525738195 /nfs/dbraw/zinc/73/81/95/525738195.db2.gz BICQKRUOPWIUBX-SFHVURJKSA-N 0 1 346.500 1.717 50 30 EDEAMN CN(CC1CC1)C(=O)CN1CC[C@@H](CNc2ncccc2C#N)C1 ZINC000065477976 201153537 /nfs/dbraw/zinc/15/35/37/201153537.db2.gz ZOWMPGAWJJTTPO-HNNXBMFYSA-N 0 1 327.432 1.555 50 30 EDEAMN CS(=O)(=O)N/N=C/c1cc(Cl)cc(Br)c1O ZINC000000136770 440802286 /nfs/dbraw/zinc/80/22/86/440802286.db2.gz QRPKCPWTBCYONY-NYYWCZLTSA-N 0 1 327.587 1.691 50 30 EDEAMN CCC#CCN1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 ZINC000077540108 441800493 /nfs/dbraw/zinc/80/04/93/441800493.db2.gz OKRWSNBFNSKYRL-UHFFFAOYSA-N 0 1 345.491 1.365 50 30 EDEAMN CC1CCN(CC(=O)Nc2ccc(-n3cc(C#N)c(N)n3)cc2)CC1 ZINC000095966537 441963073 /nfs/dbraw/zinc/96/30/73/441963073.db2.gz AHPHGCSVIPBXRU-UHFFFAOYSA-N 0 1 338.415 1.997 50 30 EDEAMN C=C(C)C(=O)OC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000032501383 518587949 /nfs/dbraw/zinc/58/79/49/518587949.db2.gz PXOYTVVOIRXJBS-INIZCTEOSA-N 0 1 334.416 1.297 50 30 EDEAMN Cc1nc([C@@H]2CN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CCO2)n[nH]1 ZINC000076045346 202379934 /nfs/dbraw/zinc/37/99/34/202379934.db2.gz JHCVZKSDUJCNRD-NHYWBVRUSA-N 0 1 341.371 1.352 50 30 EDEAMN C=CCN1C[C@@]2(C(=O)[O-])C[N@@H+](Cc3ccc(F)c(OC)c3)C[C@H]2C1=O ZINC000072426241 216215930 /nfs/dbraw/zinc/21/59/30/216215930.db2.gz LULCCXNEOQDGCA-UGSOOPFHSA-N 0 1 348.374 1.365 50 30 EDEAMN C#C[C@@](C)(CC)OC[C@@H](O)CN1CCN(c2ccccc2OC)CC1 ZINC000012421446 207144418 /nfs/dbraw/zinc/14/44/18/207144418.db2.gz CTZJGHWESIGKAA-PXNSSMCTSA-N 0 1 346.471 1.997 50 30 EDEAMN N#CC(C(=O)NC1CC1)c1nc2ccccc2nc1N1CCOCC1 ZINC000000549512 440829743 /nfs/dbraw/zinc/82/97/43/440829743.db2.gz SDLIYZSVTIIMEO-ZDUSSCGKSA-N 0 1 337.383 1.352 50 30 EDEAMN COc1ccc(OCC(=O)ONC(=N)c2ccc(OC)cc2)cc1 ZINC000013635659 441162752 /nfs/dbraw/zinc/16/27/52/441162752.db2.gz FYKSUAVLSLEKNU-UHFFFAOYSA-N 0 1 330.340 1.946 50 30 EDEAMN COc1c([C@@H]2CCCN2CCC(=O)N(CC#N)CC#N)c(C)nn1C ZINC000072253797 441209079 /nfs/dbraw/zinc/20/90/79/441209079.db2.gz KJAXNJJLGHYODM-AWEZNQCLSA-N 0 1 344.419 1.140 50 30 EDEAMN CN(CCn1cc(C#N)cn1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000072296412 441224501 /nfs/dbraw/zinc/22/45/01/441224501.db2.gz MMONYEFKTNXTSM-INIZCTEOSA-N 0 1 345.472 1.822 50 30 EDEAMN CC(C)N1C(=O)N[C@@]2(CCN(CCOc3cccc(C#N)c3)C2)C1=O ZINC000084597359 441407927 /nfs/dbraw/zinc/40/79/27/441407927.db2.gz VJKYGRNRNWJFLR-GOSISDBHSA-N 0 1 342.399 1.342 50 30 EDEAMN CC(=O)N1CCN([C@H]2CN(Cc3cc(C#N)ccc3F)C[C@@H]2C)CC1 ZINC000076055304 441588893 /nfs/dbraw/zinc/58/88/93/441588893.db2.gz AAOBDRVPHBQHBX-LIRRHRJNSA-N 0 1 344.434 1.682 50 30 EDEAMN CCN(Cc1ccc(C#N)cc1F)C(=O)CN1CCN(C)C[C@@H]1C ZINC000089969261 441607852 /nfs/dbraw/zinc/60/78/52/441607852.db2.gz MUUSZVIVZUXUFN-AWEZNQCLSA-N 0 1 332.423 1.682 50 30 EDEAMN COc1ccc(C#N)cc1CN1CCN(Cc2n[nH]c(C)n2)CC1 ZINC000097034146 442158136 /nfs/dbraw/zinc/15/81/36/442158136.db2.gz BGXFMXZWORNISM-UHFFFAOYSA-N 0 1 326.404 1.311 50 30 EDEAMN N#Cc1cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)ccc1Cl ZINC000247511957 442858607 /nfs/dbraw/zinc/85/86/07/442858607.db2.gz PWBRWFXPOMZISY-LBPRGKRZSA-N 0 1 325.821 1.680 50 30 EDEAMN Cc1cc(N2CCn3nc([C@@H](O)CN(C)C)cc3C2)nc(C)c1C#N ZINC000222515255 443078457 /nfs/dbraw/zinc/07/84/57/443078457.db2.gz GUAHQZMWVLBSHN-KRWDZBQOSA-N 0 1 340.431 1.382 50 30 EDEAMN C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1C(=O)CCc1cnc[nH]1 ZINC000225424647 443102590 /nfs/dbraw/zinc/10/25/90/443102590.db2.gz DYBNNQQVNIUNNJ-OAHLLOKOSA-N 0 1 337.427 1.947 50 30 EDEAMN C=CCN1CC[C@]2(CN(c3nccnc3OC)CCN2C)CCC1=O ZINC000091746507 218058441 /nfs/dbraw/zinc/05/84/41/218058441.db2.gz KXYVRBRCGUGENE-SFHVURJKSA-N 0 1 345.447 1.174 50 30 EDEAMN C=CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000005340676 440949325 /nfs/dbraw/zinc/94/93/25/440949325.db2.gz SUVFSPIJTRWIGH-KRWDZBQOSA-N 0 1 344.459 1.308 50 30 EDEAMN N#Cc1ccc(CN2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 ZINC000012539968 441135605 /nfs/dbraw/zinc/13/56/05/441135605.db2.gz DJRRYBARLWDCAI-UHFFFAOYSA-N 0 1 346.394 1.788 50 30 EDEAMN C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(CC=C)C2=O)cc1OC ZINC000013943803 441168076 /nfs/dbraw/zinc/16/80/76/441168076.db2.gz ZRYDLZYNDSOAPY-RAXLEYEMSA-N 0 1 342.351 1.908 50 30 EDEAMN CC[C@@H]1CN(CC(=O)Nc2sccc2C#N)CCN1C[C@H](C)O ZINC000107351119 441410479 /nfs/dbraw/zinc/41/04/79/441410479.db2.gz DIIWSCVLPLYXAJ-GXTWGEPZSA-N 0 1 336.461 1.335 50 30 EDEAMN C=CCN1CC[C@@]2(CN(c3cc(C#N)ccn3)CC[N@@H+]2C)CCC1=O ZINC000107403430 441415817 /nfs/dbraw/zinc/41/58/17/441415817.db2.gz WVSFDBWUFXMBQC-LJQANCHMSA-N 0 1 339.443 1.642 50 30 EDEAMN N#Cc1cc2c(ccn(CCc3n[nH]c4c3CCCC4)c2=O)[nH]c1=O ZINC000067674222 441665567 /nfs/dbraw/zinc/66/55/67/441665567.db2.gz YGPBTSDNCYLMOQ-UHFFFAOYSA-N 0 1 335.367 1.406 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3cccc(F)c3)C[C@]2(C(=O)[O-])C1 ZINC000091254362 441688813 /nfs/dbraw/zinc/68/88/13/441688813.db2.gz TZSBHMVBTZAVMK-DNVCBOLYSA-N 0 1 346.402 1.789 50 30 EDEAMN C=CC[C@]1(C(=O)[O-])CCCN(c2nc(N3CCC(O)CC3)cc[nH+]2)C1 ZINC000091951530 441754598 /nfs/dbraw/zinc/75/45/98/441754598.db2.gz CRQCUKOKEWPYHA-SFHVURJKSA-N 0 1 346.431 1.685 50 30 EDEAMN C=CCNC(=O)NC(=O)CN1CCCN(Cc2cccs2)CC1 ZINC000030210746 518906599 /nfs/dbraw/zinc/90/65/99/518906599.db2.gz SIQROLLCHTVQRN-UHFFFAOYSA-N 0 1 336.461 1.268 50 30 EDEAMN N#Cc1cccnc1N1CCN(c2nc(N)nc3c2CCCC3)CC1 ZINC000095370475 218303452 /nfs/dbraw/zinc/30/34/52/218303452.db2.gz BORTXHQFKHITAN-UHFFFAOYSA-N 0 1 335.415 1.531 50 30 EDEAMN CC1CCN(C(=O)CN2CC[C@@H](CNc3ncccc3C#N)C2)CC1 ZINC000065502594 441446866 /nfs/dbraw/zinc/44/68/66/441446866.db2.gz KEARKEOHLLELAK-INIZCTEOSA-N 0 1 341.459 1.946 50 30 EDEAMN COc1ccc(F)cc1S(=O)(=O)NCC#CCN1CCCCC1 ZINC000075164803 441506188 /nfs/dbraw/zinc/50/61/88/441506188.db2.gz SPARMQPPZYLNHA-UHFFFAOYSA-N 0 1 340.420 1.602 50 30 EDEAMN C[C@@H](Nc1ccc(CCN2CCOCC2)cc1)C(=O)N(C)CCC#N ZINC000079029723 442011041 /nfs/dbraw/zinc/01/10/41/442011041.db2.gz KSJZAKSFWLXSKE-MRXNPFEDSA-N 0 1 344.459 1.734 50 30 EDEAMN N#CC1(NC(=O)c2cccc(C(=O)NC3(C#N)CCC3)c2O)CCC1 ZINC000253425976 443065928 /nfs/dbraw/zinc/06/59/28/443065928.db2.gz WWFKLCOLDHMJOC-UHFFFAOYSA-N 0 1 338.367 1.744 50 30 EDEAMN N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cc(-c3ccccc3)n[nH]1)C2 ZINC000225682453 443118582 /nfs/dbraw/zinc/11/85/82/443118582.db2.gz ZYGSKQXOXYNODZ-UHFFFAOYSA-N 0 1 345.362 1.835 50 30 EDEAMN C[C@@](C#N)(NC(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1)C1CC1 ZINC000047980434 525738047 /nfs/dbraw/zinc/73/80/47/525738047.db2.gz DMHHTFPGWXWPJP-KSSFIOAISA-N 0 1 332.448 1.033 50 30 EDEAMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000078551976 217074178 /nfs/dbraw/zinc/07/41/78/217074178.db2.gz NHSHOLPCNGRLEJ-UHFFFAOYSA-N 0 1 337.382 1.158 50 30 EDEAMN C#C[C@@](C)(CC)OC[C@H](O)CN1CCN(c2ccccc2OC)CC1 ZINC000012421448 211374311 /nfs/dbraw/zinc/37/43/11/211374311.db2.gz CTZJGHWESIGKAA-XLIONFOSSA-N 0 1 346.471 1.997 50 30 EDEAMN CC1(C)CN(c2cccc(C#N)n2)CC[C@@]1(O)CN1CCOCC1 ZINC000091440927 218006317 /nfs/dbraw/zinc/00/63/17/218006317.db2.gz GNUGALLMWFMTCK-GOSISDBHSA-N 0 1 330.432 1.253 50 30 EDEAMN CC(=O)C1C(=O)C(=O)N(CCO)[C@@H]1c1ccc(Br)cc1 ZINC000000081602 440796779 /nfs/dbraw/zinc/79/67/79/440796779.db2.gz BGZPJADPXQZVFY-GFCCVEGCSA-N 0 1 340.173 1.726 50 30 EDEAMN C#CCOc1c(Cl)cc(C=C2C(=O)NC(=O)NC2=O)cc1Cl ZINC000002820842 440879965 /nfs/dbraw/zinc/87/99/65/440879965.db2.gz WMQBCSNKJUVKJE-UHFFFAOYSA-N 0 1 339.134 1.755 50 30 EDEAMN C#CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br ZINC000002883843 440882073 /nfs/dbraw/zinc/88/20/73/440882073.db2.gz IPMSVRSPINAKPN-UHFFFAOYSA-N 0 1 349.140 1.211 50 30 EDEAMN Cc1nc([C@@H]2CN(CC(=O)N(C)C3(C#N)CCCCC3)CCO2)n[nH]1 ZINC000072300101 441227151 /nfs/dbraw/zinc/22/71/51/441227151.db2.gz SADLYBLDQZRLPS-AWEZNQCLSA-N 0 1 346.435 1.171 50 30 EDEAMN C[C@@H](C(=O)N(C)CCC#N)N1CCC(CN2CCCCC2=O)CC1 ZINC000072663899 441248036 /nfs/dbraw/zinc/24/80/36/441248036.db2.gz REYUCKKUXVRBFZ-HNNXBMFYSA-N 0 1 334.464 1.471 50 30 EDEAMN C#CCN1CCC(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)CC1 ZINC000064908325 441396474 /nfs/dbraw/zinc/39/64/74/441396474.db2.gz MRBLIGGUYXVHKW-IRXDYDNUSA-N 0 1 336.501 1.845 50 30 EDEAMN N#Cc1cccc(OCCN2CCC[C@@H]2C(=O)N2CCSCC2)c1 ZINC000065554924 441458909 /nfs/dbraw/zinc/45/89/09/441458909.db2.gz SUTZJAZRZNLWBT-QGZVFWFLSA-N 0 1 345.468 1.977 50 30 EDEAMN Cc1[nH]c(=O)c(C#N)cc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000223345273 443089568 /nfs/dbraw/zinc/08/95/68/443089568.db2.gz XIZYLSACSKWNIA-GHJWDPDVSA-N 0 1 338.367 1.192 50 30 EDEAMN CCc1nc(SCC(=O)NCc2ccccc2)[nH]c(=O)c1C#N ZINC000005238898 440943775 /nfs/dbraw/zinc/94/37/75/440943775.db2.gz GKYGTBFNLAQLNG-UHFFFAOYSA-N 0 1 328.397 1.612 50 30 EDEAMN CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000048353945 441297767 /nfs/dbraw/zinc/29/77/67/441297767.db2.gz DHCJVYLSPSFYPZ-GFCCVEGCSA-N 0 1 327.837 1.974 50 30 EDEAMN CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000089718326 441572481 /nfs/dbraw/zinc/57/24/81/441572481.db2.gz MHSUBOOFYFPBGI-KRWDZBQOSA-N 0 1 339.399 1.873 50 30 EDEAMN C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000076070650 441592610 /nfs/dbraw/zinc/59/26/10/441592610.db2.gz NXOYEVLUCGNYCP-AWEZNQCLSA-N 0 1 348.422 1.595 50 30 EDEAMN N#Cc1cccc(NC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)c1 ZINC000095520327 441945324 /nfs/dbraw/zinc/94/53/24/441945324.db2.gz CWMAVERDCDGRDN-QGZVFWFLSA-N 0 1 328.416 1.869 50 30 EDEAMN Cc1nc([C@H](NS(=O)(=O)c2cc(C#N)ccc2C)C(C)C)n[nH]1 ZINC000096454015 442136063 /nfs/dbraw/zinc/13/60/63/442136063.db2.gz JNXSMTXFMXIJKJ-CQSZACIVSA-N 0 1 333.417 1.969 50 30 EDEAMN N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)Cc2cnc[nH]2)cc1 ZINC000222917297 443083460 /nfs/dbraw/zinc/08/34/60/443083460.db2.gz CIOHZGOJXIPJJI-HZPDHXFCSA-N 0 1 326.356 1.177 50 30 EDEAMN C[C@@](C#N)(NC(=O)CN1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000027576604 525737282 /nfs/dbraw/zinc/73/72/82/525737282.db2.gz LDKMLSYXHRSMRB-FQEVSTJZSA-N 0 1 340.471 1.655 50 30 EDEAMN N#Cc1cccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000003429965 210037126 /nfs/dbraw/zinc/03/71/26/210037126.db2.gz QTCCIWLJAYCERX-UHFFFAOYSA-N 0 1 337.382 1.006 50 30 EDEAMN N#Cc1ccc(OCCN2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000066893661 215090866 /nfs/dbraw/zinc/09/08/66/215090866.db2.gz KNDONNMFOSYZRL-SFHVURJKSA-N 0 1 343.427 1.650 50 30 EDEAMN C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@H+](C)Cc1nonc1C)C2 ZINC000067447305 215147252 /nfs/dbraw/zinc/14/72/52/215147252.db2.gz OMOCFSHTYHWVAZ-NSHDSACASA-N 0 1 331.376 1.448 50 30 EDEAMN C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@@H+](C)Cc1nonc1C)C2 ZINC000067447305 215147254 /nfs/dbraw/zinc/14/72/54/215147254.db2.gz OMOCFSHTYHWVAZ-NSHDSACASA-N 0 1 331.376 1.448 50 30 EDEAMN CC1(C)Cc2c(sc3nc(-n4ncc(C#N)c4N)[nH]c(=O)c23)CO1 ZINC000009312216 441104682 /nfs/dbraw/zinc/10/46/82/441104682.db2.gz FXINLZSOYMUPEC-UHFFFAOYSA-N 0 1 342.384 1.475 50 30 EDEAMN C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3scnc3C)C[C@]2(C(=O)[O-])C1 ZINC000091896219 441750057 /nfs/dbraw/zinc/75/00/57/441750057.db2.gz GRXNCGHVUZZRRJ-CXAGYDPISA-N 0 1 349.456 1.415 50 30 EDEAMN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cn2)c1 ZINC000069674981 442008754 /nfs/dbraw/zinc/00/87/54/442008754.db2.gz DNVWVFIBQJRHFD-UHFFFAOYSA-N 0 1 331.397 2.107 50 30 EDEAMN CN(C(=O)CN1CCC[C@H](Cn2cncn2)C1)C1(C#N)CCCCC1 ZINC000069819715 442050753 /nfs/dbraw/zinc/05/07/53/442050753.db2.gz QOSWJQVPRFWRRO-INIZCTEOSA-N 0 1 344.463 1.675 50 30 EDEAMN Cc1noc([C@H]2CCCN(C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000052862294 214150956 /nfs/dbraw/zinc/15/09/56/214150956.db2.gz HGACTLXXQHSRKL-HOTGVXAUSA-N 0 1 342.399 1.869 50 30 EDEAMN N#Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)cc1 ZINC000012535682 258054593 /nfs/dbraw/zinc/05/45/93/258054593.db2.gz FGLOARMROZIQPE-UHFFFAOYSA-N 0 1 326.341 1.249 50 30 EDEAMN Cc1nc[nH]c1-c1cc(-c2ccccc2OCC(N)=O)nc(N)c1C#N ZINC000071479718 441146430 /nfs/dbraw/zinc/14/64/30/441146430.db2.gz FIQRKAIBUILRNQ-UHFFFAOYSA-N 0 1 348.366 1.765 50 30 EDEAMN CN1CCN(c2cc(CNC(=O)c3cccc(C#N)c3)ccn2)CC1 ZINC000048325314 441293381 /nfs/dbraw/zinc/29/33/81/441293381.db2.gz VNPWYRHOOFVGTK-UHFFFAOYSA-N 0 1 335.411 1.635 50 30 EDEAMN N#Cc1ccc(OC[C@@H](O)CN2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000032768648 441570793 /nfs/dbraw/zinc/57/07/93/441570793.db2.gz HSVDDROCRFSAOM-PKOBYXMFSA-N 0 1 345.443 1.095 50 30 EDEAMN CN(C(=O)CN1CCC[C@@H](Cn2cncn2)C1)C1(C#N)CCCCC1 ZINC000069819719 442050265 /nfs/dbraw/zinc/05/02/65/442050265.db2.gz QOSWJQVPRFWRRO-MRXNPFEDSA-N 0 1 344.463 1.675 50 30 EDEAMN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000375750702 258001847 /nfs/dbraw/zinc/00/18/47/258001847.db2.gz WIZYDIZXQRWIEA-FCGDIQPGSA-N 0 1 344.455 1.719 50 30 EDEAMN COC(=O)C1=C(O)C2=C(CC1(C)C)N1CCn3cccc3[C@@H]1CC2=O ZINC000002094903 440855415 /nfs/dbraw/zinc/85/54/15/440855415.db2.gz BMFKTDSBSRSAPV-LRDDRELGSA-N 0 1 342.395 1.860 50 30 EDEAMN CN1CCN(c2ccc(CNC(=O)c3ccc(C#N)cc3)cn2)CC1 ZINC000023318169 441293533 /nfs/dbraw/zinc/29/35/33/441293533.db2.gz KNXOWBXJLZQAFE-UHFFFAOYSA-N 0 1 335.411 1.635 50 30 EDEAMN CC(=O)N1CCN([C@@H]2CN(Cc3ccccc3C#N)C[C@H]2C)CC1 ZINC000107141873 441401029 /nfs/dbraw/zinc/40/10/29/441401029.db2.gz BCOZRICNIQOZFF-DNVCBOLYSA-N 0 1 326.444 1.543 50 30 EDEAMN CCN(CC)S(=O)(=O)c1ccc([C@H](C#N)C(=O)[C@@H]2C[C@H]2C)nc1 ZINC000245283806 443220249 /nfs/dbraw/zinc/22/02/49/443220249.db2.gz OYSQRZMSTCHEGT-BNOWGMLFSA-N 0 1 335.429 1.944 50 30 EDEAMN Cc1nc(C)n(C[C@H]2CCCN(C([O-])=[NH+]c3ccnc(C)n3)C2)n1 ZINC000330130419 444855204 /nfs/dbraw/zinc/85/52/04/444855204.db2.gz PACCICCKYZIFNV-AWEZNQCLSA-N 0 1 329.408 1.951 50 30 EDEAMN C=CCN1C[C@H](C(=O)N(C)CCc2nc3ccc(F)cc3[nH]2)CC1=O ZINC000219761214 485829915 /nfs/dbraw/zinc/82/99/15/485829915.db2.gz MUOVNAYUXWZWLZ-GFCCVEGCSA-N 0 1 344.390 1.737 50 30 EDEAMN