smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)O1 ZINC000121514697 700674093 /nfs/dbraw/zinc/67/40/93/700674093.db2.gz IMTAPRZARWEWER-OASPWFOLSA-N 0 3 354.378 3.216 10 30 FGEEHN Cc1cc(C#N)ccc1CN(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000186214372 712712499 /nfs/dbraw/zinc/71/24/99/712712499.db2.gz RAOLOCVXSQSPPD-IBGZPJMESA-N 0 3 355.507 3.434 10 30 FGEEHN C=CCC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(OC)c1OC)C2 ZINC000014958448 494330636 /nfs/dbraw/zinc/33/06/36/494330636.db2.gz OXNTVVMQXVUVHB-OAQYLSRUSA-N 0 3 358.482 3.094 10 30 FGEEHN Cn1cc([C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C2)cn1 ZINC000128377227 495087389 /nfs/dbraw/zinc/08/73/89/495087389.db2.gz SEHACKUEFFRDGR-GOSISDBHSA-N 0 3 360.465 3.187 10 30 FGEEHN Cc1nn(C)c(C)c1[C@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000106210895 495430769 /nfs/dbraw/zinc/43/07/69/495430769.db2.gz VJTXWBNGOWQPQP-OAHLLOKOSA-N 0 3 357.483 3.136 10 30 FGEEHN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000180024258 495827342 /nfs/dbraw/zinc/82/73/42/495827342.db2.gz CKLJDXXPNUMVKB-MAUKXSAKSA-N 0 3 352.438 3.402 10 30 FGEEHN N#Cc1ccccc1OCc1cccc(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000172139870 496180455 /nfs/dbraw/zinc/18/04/55/496180455.db2.gz HZZYSZIGCODURY-HXUWFJFHSA-N 0 3 361.445 3.057 10 30 FGEEHN COc1ccc(CN2CC[C@H](CN(C)Cc3scnc3C)C2)cc1C#N ZINC000190467886 497491391 /nfs/dbraw/zinc/49/13/91/497491391.db2.gz IOCABMQSTVLBBZ-QGZVFWFLSA-N 0 3 370.522 3.286 10 30 FGEEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000190496656 497505120 /nfs/dbraw/zinc/50/51/20/497505120.db2.gz WLCUXMWSUNHISJ-IBGZPJMESA-N 0 3 357.498 3.186 10 30 FGEEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000245935721 497577542 /nfs/dbraw/zinc/57/75/42/497577542.db2.gz KWCTXMZUIBMAOK-CXAGYDPISA-N 0 3 371.872 3.208 10 30 FGEEHN CCN1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c(C#N)n3)c(C)c2)CC1 ZINC000302690661 498534597 /nfs/dbraw/zinc/53/45/97/498534597.db2.gz CIRRNVVJAMUTTP-UHFFFAOYSA-N 0 3 366.425 3.055 10 30 FGEEHN O=C(C[n+]1ccc(/C=N\[O-])cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001920018 527195358 /nfs/dbraw/zinc/19/53/58/527195358.db2.gz APXNXSVJZCIRGF-UHFFFAOYSA-O 0 3 360.437 3.011 10 30 FGEEHN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000048159644 493794365 /nfs/dbraw/zinc/79/43/65/493794365.db2.gz VAUFFUXOMZEQLL-IBGZPJMESA-N 0 3 366.465 3.027 10 30 FGEEHN C=CCc1cc(CN2CCC[C@@H](Cc3noc(C)n3)C2)cc(OC)c1O ZINC000092813916 494762399 /nfs/dbraw/zinc/76/23/99/494762399.db2.gz FSBBZPCODPCHLU-HNNXBMFYSA-N 0 3 357.454 3.275 10 30 FGEEHN COc1ccc(CN(C)C[C@H](c2cccs2)N2CCOCC2)cc1C#N ZINC000135053645 495244913 /nfs/dbraw/zinc/24/49/13/495244913.db2.gz OLFINKWEVJGOOT-GOSISDBHSA-N 0 3 371.506 3.134 10 30 FGEEHN CN(Cc1cccc(OCCCC#N)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120195992 495325915 /nfs/dbraw/zinc/32/59/15/495325915.db2.gz RHEJFPHJNQTYSO-IBGZPJMESA-N 0 3 365.481 3.260 10 30 FGEEHN C=CCOc1ccc(CN(C)[C@H]2CCCN(c3cccnn3)C2)cc1OC ZINC000120221011 495330666 /nfs/dbraw/zinc/33/06/66/495330666.db2.gz FAZMNFLNISIADB-SFHVURJKSA-N 0 3 368.481 3.151 10 30 FGEEHN Cc1cccc(NC[C@H]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n1 ZINC000173779790 495690126 /nfs/dbraw/zinc/69/01/26/495690126.db2.gz JHGVAXDGJAHPNE-QGZVFWFLSA-N 0 3 374.448 3.246 10 30 FGEEHN Cn1cc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180184974 495896054 /nfs/dbraw/zinc/89/60/54/495896054.db2.gz FYOOJMWZXDKGBC-TZIWHRDSSA-N 0 3 350.466 3.086 10 30 FGEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(c2ccnn2C)CC1)C(C)C ZINC000156582580 496284535 /nfs/dbraw/zinc/28/45/35/496284535.db2.gz ASSBWFQEOCBGOA-FQEVSTJZSA-N 0 3 373.545 3.008 10 30 FGEEHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247346378 496842077 /nfs/dbraw/zinc/84/20/77/496842077.db2.gz XWBBFMLKEDTYSR-ZWOKBUDYSA-N 0 3 362.539 3.278 10 30 FGEEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000247523230 496880793 /nfs/dbraw/zinc/88/07/93/496880793.db2.gz WWYWJRDWXKOWKU-WBVHZDCISA-N 0 3 365.433 3.039 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000121879891 494881104 /nfs/dbraw/zinc/88/11/04/494881104.db2.gz UYBARCOIHQTEIX-QGZVFWFLSA-N 0 3 369.431 3.500 10 30 FGEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](n2cc(C)cn2)C1)C(C)C ZINC000111823277 495116003 /nfs/dbraw/zinc/11/60/03/495116003.db2.gz ITLSJENLAOMXEG-PMACEKPBSA-N 0 3 373.545 3.237 10 30 FGEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1)C(C)C ZINC000111823279 495116459 /nfs/dbraw/zinc/11/64/59/495116459.db2.gz ITLSJENLAOMXEG-WOJBJXKFSA-N 0 3 373.545 3.237 10 30 FGEEHN CC[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCN1CCOC ZINC000177132121 495940322 /nfs/dbraw/zinc/94/03/22/495940322.db2.gz ZPRNMANPPKQRJS-SFHVURJKSA-N 0 3 354.416 3.100 10 30 FGEEHN CC[C@H]1CN2CCC[C@@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000177184954 495966196 /nfs/dbraw/zinc/96/61/96/495966196.db2.gz FDAVHXBLIHAAJS-ZWKOTPCHSA-N 0 3 364.493 3.296 10 30 FGEEHN CN(C)C[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000193051174 497287910 /nfs/dbraw/zinc/28/79/10/497287910.db2.gz COKRZHRZEUUZPK-QFIPXVFZSA-N 0 3 363.505 3.149 10 30 FGEEHN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000189904647 497287946 /nfs/dbraw/zinc/28/79/46/497287946.db2.gz DKWFGUUDLGLUSV-SFHVURJKSA-N 0 3 373.460 3.470 10 30 FGEEHN C[C@@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)C[C@H](C)O1 ZINC000301570428 498168200 /nfs/dbraw/zinc/16/82/00/498168200.db2.gz QYLRAQYUFYDOIO-IYBDPMFKSA-N 0 3 372.469 3.182 10 30 FGEEHN C#CCOC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036099028 518311119 /nfs/dbraw/zinc/31/11/19/518311119.db2.gz JMMIMLRQVDACAD-JOCHJYFZSA-N 0 3 355.453 3.455 10 30 FGEEHN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124667052 700723218 /nfs/dbraw/zinc/72/32/18/700723218.db2.gz BHUFQVULLQALQI-PWSUYJOCSA-N 0 3 355.221 3.092 10 30 FGEEHN Cc1nc(C[C@H]2CCCN(Cc3ccc(N(C)CCC#N)cc3)C2)no1 ZINC000092814140 494762284 /nfs/dbraw/zinc/76/22/84/494762284.db2.gz WUJILSHOIKUXFA-GOSISDBHSA-N 0 3 353.470 3.183 10 30 FGEEHN N#Cc1ccc2ncc(CNC[C@H]3CCCCN3Cc3ccccc3)n2c1 ZINC000123499094 495142262 /nfs/dbraw/zinc/14/22/62/495142262.db2.gz NMYHWSAEWAAFND-HXUWFJFHSA-N 0 3 359.477 3.350 10 30 FGEEHN C=C(C)CN(CC)C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173494997 495557470 /nfs/dbraw/zinc/55/74/70/495557470.db2.gz KTAONVCJNVXEML-HXUWFJFHSA-N 0 3 359.514 3.040 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000154783479 495726220 /nfs/dbraw/zinc/72/62/20/495726220.db2.gz HTKXTXIOFQGXBE-RBUKOAKNSA-N 0 3 363.546 3.406 10 30 FGEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000155782743 496067488 /nfs/dbraw/zinc/06/74/88/496067488.db2.gz HBKZKRKFBIAFAJ-BEFAXECRSA-N 0 3 367.449 3.189 10 30 FGEEHN N#Cc1cccc(OCc2cccc(C(=O)N3CCN4CCC[C@@H]4C3)c2)c1 ZINC000172217404 496213107 /nfs/dbraw/zinc/21/31/07/496213107.db2.gz GJEOYQYTXNFVTR-HXUWFJFHSA-N 0 3 361.445 3.057 10 30 FGEEHN CN(C)[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000175550922 496438216 /nfs/dbraw/zinc/43/82/16/496438216.db2.gz BNSHCOIVGCXIBC-KRWDZBQOSA-N 0 3 351.475 3.486 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000195261044 496865981 /nfs/dbraw/zinc/86/59/81/496865981.db2.gz MNLWCPFWLDTXRQ-MRXNPFEDSA-N 0 3 358.486 3.416 10 30 FGEEHN C[C@@H](CCN1CCN(C)CC1)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000302261891 498461331 /nfs/dbraw/zinc/46/13/31/498461331.db2.gz PTPYQILQIGQGJO-AWEZNQCLSA-N 0 3 357.889 3.198 10 30 FGEEHN CC(=O)N[C@@]1(c2noc(C)n2)CCN(c2cc(C)nc3ccccc32)C1 ZINC000328614136 498875993 /nfs/dbraw/zinc/87/59/93/498875993.db2.gz VLZPSJJLHHOYJP-IBGZPJMESA-N 0 3 351.410 3.317 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000121879737 494881173 /nfs/dbraw/zinc/88/11/73/494881173.db2.gz UYBARCOIHQTEIX-KRWDZBQOSA-N 0 3 369.431 3.500 10 30 FGEEHN Cc1nc(C)n(C[C@H]2CCCN(Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000121942839 494895882 /nfs/dbraw/zinc/89/58/82/494895882.db2.gz REVLNIMGLSYCRX-FQEVSTJZSA-N 0 3 367.497 3.490 10 30 FGEEHN N#Cc1c2c(sc1NC(=O)CCN1CCC(c3cc[nH]n3)CC1)CCC2 ZINC000103473450 495237382 /nfs/dbraw/zinc/23/73/82/495237382.db2.gz XESYMWFXLOOLFG-UHFFFAOYSA-N 0 3 369.494 3.040 10 30 FGEEHN C#CCN1CCC(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000129623205 495271825 /nfs/dbraw/zinc/27/18/25/495271825.db2.gz RHHHMMAPPRGXAT-IBGZPJMESA-N 0 3 352.478 3.284 10 30 FGEEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000154558016 495654437 /nfs/dbraw/zinc/65/44/37/495654437.db2.gz KWCTXMZUIBMAOK-GUYCJALGSA-N 0 3 371.872 3.208 10 30 FGEEHN C[C@@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)C[C@@H](C)O1 ZINC000301570426 498168150 /nfs/dbraw/zinc/16/81/50/498168150.db2.gz QYLRAQYUFYDOIO-HZPDHXFCSA-N 0 3 372.469 3.182 10 30 FGEEHN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)N1CCCC1 ZINC000302693428 498534398 /nfs/dbraw/zinc/53/43/98/498534398.db2.gz DARLSEPEZVVQTE-KRWDZBQOSA-N 0 3 367.409 3.119 10 30 FGEEHN CN(C)C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1 ZINC000047859943 494782837 /nfs/dbraw/zinc/78/28/37/494782837.db2.gz KGNQXNCNWDVBEX-IBGZPJMESA-N 0 3 353.491 3.211 10 30 FGEEHN CCN1CCC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114688338 495409191 /nfs/dbraw/zinc/40/91/91/495409191.db2.gz OKZOCYALXFVVNW-HXUWFJFHSA-N 0 3 363.461 3.351 10 30 FGEEHN Cn1cc(CN2CCC(c3ccnn3C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180039605 495832301 /nfs/dbraw/zinc/83/23/01/495832301.db2.gz UARBWLIQCZUWCD-UHFFFAOYSA-N 0 3 360.465 3.072 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)CC1 ZINC000177501620 496087726 /nfs/dbraw/zinc/08/77/26/496087726.db2.gz NGIXVFJOTAMQER-INIZCTEOSA-N 0 3 361.490 3.080 10 30 FGEEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000177702885 496164833 /nfs/dbraw/zinc/16/48/33/496164833.db2.gz HWBMHMPSXPLJNK-DLBZAZTESA-N 0 3 374.554 3.293 10 30 FGEEHN COc1ccc(CN2CC[C@@H](CN(C)Cc3scnc3C)C2)cc1C#N ZINC000190467862 497491921 /nfs/dbraw/zinc/49/19/21/497491921.db2.gz IOCABMQSTVLBBZ-KRWDZBQOSA-N 0 3 370.522 3.286 10 30 FGEEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000190496635 497504634 /nfs/dbraw/zinc/50/46/34/497504634.db2.gz WLCUXMWSUNHISJ-LJQANCHMSA-N 0 3 357.498 3.186 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000190518964 497514236 /nfs/dbraw/zinc/51/42/36/497514236.db2.gz ZFUNUOPZVVZVCN-AWEZNQCLSA-N 0 3 372.469 3.056 10 30 FGEEHN C=CCOc1ccc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190614928 497546718 /nfs/dbraw/zinc/54/67/18/497546718.db2.gz PFWANXBQWCKHPV-LJQANCHMSA-N 0 3 365.477 3.241 10 30 FGEEHN N#Cc1ccnc(NC[C@@H]2CCCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000301617928 498190439 /nfs/dbraw/zinc/19/04/39/498190439.db2.gz CQGXJHGSXSKIIG-KRWDZBQOSA-N 0 3 351.410 3.328 10 30 FGEEHN C[C@H](CCN1CCN(C)CC1)Nc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000302261892 498461503 /nfs/dbraw/zinc/46/15/03/498461503.db2.gz PTPYQILQIGQGJO-CQSZACIVSA-N 0 3 357.889 3.198 10 30 FGEEHN C[C@H]1CN(CC(C)(C)O)CCN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000302528552 498502369 /nfs/dbraw/zinc/50/23/69/498502369.db2.gz KQSFOFVYBQJICZ-ZDUSSCGKSA-N 0 3 358.873 3.041 10 30 FGEEHN C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N1CCC(C)CC1)C2 ZINC000014752023 203859053 /nfs/dbraw/zinc/85/90/53/203859053.db2.gz LQROJIPDRCWWNW-GOSISDBHSA-N 0 3 370.541 3.284 10 30 FGEEHN COc1ccc(-c2c(C#N)c(SC)nc3c2CN(C)CC3)cc1OC ZINC000040569863 205073439 /nfs/dbraw/zinc/07/34/39/205073439.db2.gz HKWPECFZHJKYEB-UHFFFAOYSA-N 0 3 355.463 3.347 10 30 FGEEHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000174704536 496070079 /nfs/dbraw/zinc/07/00/79/496070079.db2.gz GBAMYVPGBHVJRZ-CQSZACIVSA-N 0 3 351.406 3.009 10 30 FGEEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000175550910 496438578 /nfs/dbraw/zinc/43/85/78/496438578.db2.gz BNSHCOIVGCXIBC-QGZVFWFLSA-N 0 3 351.475 3.486 10 30 FGEEHN C=C[C@](C)(CC)C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000188617549 496852567 /nfs/dbraw/zinc/85/25/67/496852567.db2.gz YRYRLIDPGZYHFT-IFMALSPDSA-N 0 3 358.526 3.493 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000195262282 496866566 /nfs/dbraw/zinc/86/65/66/496866566.db2.gz MGJFQOFUAVRHAU-MRXNPFEDSA-N 0 3 358.486 3.416 10 30 FGEEHN COc1ccc([C@@H](C)CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192245105 497047447 /nfs/dbraw/zinc/04/74/47/497047447.db2.gz DMLAWTVFUPUIIH-HRAATJIYSA-N 0 3 363.461 3.061 10 30 FGEEHN CCN(CC(=O)OC(C)(C)C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000190350862 497446260 /nfs/dbraw/zinc/44/62/60/497446260.db2.gz DXAOKHLUHXMNQJ-UHFFFAOYSA-N 0 3 357.498 3.186 10 30 FGEEHN Cc1ccc(N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)nc1C#N ZINC000302680010 498530844 /nfs/dbraw/zinc/53/08/44/498530844.db2.gz WEQVWSRTCMFQCV-OAQYLSRUSA-N 0 3 364.493 3.144 10 30 FGEEHN CCCN1CCc2nc(N)c(C#N)c(-c3ccc(OC)c(COC)c3)c2C1 ZINC000072157764 494137881 /nfs/dbraw/zinc/13/78/81/494137881.db2.gz LYYZIYBFTYIJNT-UHFFFAOYSA-N 0 3 366.465 3.126 10 30 FGEEHN Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCNCC4)o3)o2)c1 ZINC000040165767 494138918 /nfs/dbraw/zinc/13/89/18/494138918.db2.gz XMSOFJWZKGATGI-UHFFFAOYSA-N 0 3 364.405 3.103 10 30 FGEEHN COc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1OCCCC#N ZINC000092810974 494755731 /nfs/dbraw/zinc/75/57/31/494755731.db2.gz VZMXRBXYVGWGEZ-UHFFFAOYSA-N 0 3 354.454 3.480 10 30 FGEEHN CC(C)(CCC#N)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000093273186 494855489 /nfs/dbraw/zinc/85/54/89/494855489.db2.gz MUDHYAMHPVAEAI-UHFFFAOYSA-N 0 3 351.498 3.320 10 30 FGEEHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000170855992 495628990 /nfs/dbraw/zinc/62/89/90/495628990.db2.gz AOTNGMSWRIWJSH-MRXNPFEDSA-N 0 3 351.475 3.486 10 30 FGEEHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(-n2ccnc2)c1 ZINC000180666805 496095768 /nfs/dbraw/zinc/09/57/68/496095768.db2.gz QKJXWSGTHBEZHH-CVEARBPZSA-N 0 3 359.433 3.422 10 30 FGEEHN C=CCN1CCC(NC(=O)N2CCC[C@@H](c3nc(CC)cs3)C2)CC1 ZINC000172265093 496236145 /nfs/dbraw/zinc/23/61/45/496236145.db2.gz LVVJPMZOKHNOBW-OAHLLOKOSA-N 0 3 362.543 3.245 10 30 FGEEHN CCc1nccn1[C@@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000157998768 496605609 /nfs/dbraw/zinc/60/56/09/496605609.db2.gz HUSJTKBKRWDXPF-QGZVFWFLSA-N 0 3 354.454 3.042 10 30 FGEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)C(C)C ZINC000247296870 496828648 /nfs/dbraw/zinc/82/86/48/496828648.db2.gz ULJWQRYMRLZMLX-ZVDOUQERSA-N 0 3 363.546 3.022 10 30 FGEEHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247346368 496842322 /nfs/dbraw/zinc/84/23/22/496842322.db2.gz XWBBFMLKEDTYSR-QKLQHJQFSA-N 0 3 362.539 3.278 10 30 FGEEHN C[C@H]1CN(CCC2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)C[C@H](C)O1 ZINC000301570423 498167951 /nfs/dbraw/zinc/16/79/51/498167951.db2.gz QYLRAQYUFYDOIO-HOTGVXAUSA-N 0 3 372.469 3.182 10 30 FGEEHN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)N1CCCC1 ZINC000302693430 498534644 /nfs/dbraw/zinc/53/46/44/498534644.db2.gz DARLSEPEZVVQTE-QGZVFWFLSA-N 0 3 367.409 3.119 10 30 FGEEHN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000041520610 695763117 /nfs/dbraw/zinc/76/31/17/695763117.db2.gz LTXXUPAMTAIHEM-APHBMKBZSA-N 0 3 355.463 3.473 10 30 FGEEHN N#Cc1ccc(NCC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000109312711 494859046 /nfs/dbraw/zinc/85/90/46/494859046.db2.gz JEBPLWWPUXUFAJ-NRFANRHFSA-N 0 3 362.477 3.141 10 30 FGEEHN CN(CCOc1ccccc1C#N)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160165 495421330 /nfs/dbraw/zinc/42/13/30/495421330.db2.gz HTSKBMZWZHGSIL-SFHVURJKSA-N 0 3 371.506 3.004 10 30 FGEEHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140474993 495495959 /nfs/dbraw/zinc/49/59/59/495495959.db2.gz XWBBFMLKEDTYSR-SQGPQFPESA-N 0 3 362.539 3.278 10 30 FGEEHN C=CCCCN(C)C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173500569 495560963 /nfs/dbraw/zinc/56/09/63/495560963.db2.gz ZMCURSUNWCRTLD-HXUWFJFHSA-N 0 3 359.514 3.040 10 30 FGEEHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180062119 495841550 /nfs/dbraw/zinc/84/15/50/495841550.db2.gz LXGCIQCDSUKXQL-ABAIWWIYSA-N 0 3 369.387 3.146 10 30 FGEEHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000172542538 496335749 /nfs/dbraw/zinc/33/57/49/496335749.db2.gz IUZNMAQPCXYFAU-CQSZACIVSA-N 0 3 354.372 3.190 10 30 FGEEHN COc1cc(C#N)ccc1CN1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195254749 496863100 /nfs/dbraw/zinc/86/31/00/496863100.db2.gz QFOZOQTUYIQHPJ-QGZVFWFLSA-N 0 3 370.522 3.286 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000195268344 496869538 /nfs/dbraw/zinc/86/95/38/496869538.db2.gz QXKWWYUCWQQUTE-GOSISDBHSA-N 0 3 370.522 3.156 10 30 FGEEHN N#Cc1ccccc1COc1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000195337555 496894803 /nfs/dbraw/zinc/89/48/03/496894803.db2.gz MUAYLJCIDIBVKL-FQEVSTJZSA-N 0 3 361.445 3.057 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000190442588 497482767 /nfs/dbraw/zinc/48/27/67/497482767.db2.gz XFIVHUIPGYFLJD-MRXNPFEDSA-N 0 3 369.494 3.309 10 30 FGEEHN Cn1cc(CN2CC[C@]3(O)CCCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000245912612 497569334 /nfs/dbraw/zinc/56/93/34/497569334.db2.gz FYOOJMWZXDKGBC-PZJWPPBQSA-N 0 3 350.466 3.086 10 30 FGEEHN Cc1ccc(N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)nc1C#N ZINC000302680009 498530841 /nfs/dbraw/zinc/53/08/41/498530841.db2.gz WEQVWSRTCMFQCV-NRFANRHFSA-N 0 3 364.493 3.144 10 30 FGEEHN Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc(N(C)CCC#N)cc3)C2)n1 ZINC000121992438 494905174 /nfs/dbraw/zinc/90/51/74/494905174.db2.gz MQOJBPGAPPAEEU-FQEVSTJZSA-N 0 3 366.513 3.157 10 30 FGEEHN CN(Cc1ccc(F)c(C#N)c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000120089829 495304738 /nfs/dbraw/zinc/30/47/38/495304738.db2.gz NAHLXYSNBVHSSJ-GOSISDBHSA-N 0 3 359.470 3.264 10 30 FGEEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000120962054 495493107 /nfs/dbraw/zinc/49/31/07/495493107.db2.gz YNRKXVJVLIZPJO-QGZVFWFLSA-N 0 3 369.465 3.436 10 30 FGEEHN Cn1cc(CN2CC[C@H](CNc3ccccn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180042742 495833850 /nfs/dbraw/zinc/83/38/50/495833850.db2.gz CRHPDENBHBYOKO-GOSISDBHSA-N 0 3 372.476 3.288 10 30 FGEEHN CC(C)N1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H](C)C1 ZINC000155584132 496003325 /nfs/dbraw/zinc/00/33/25/496003325.db2.gz OIHYFSVRBMWEFU-YJBOKZPZSA-N 0 3 367.449 3.189 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000195261507 496866832 /nfs/dbraw/zinc/86/68/32/496866832.db2.gz HTMVNGXHDVNMHX-GOSISDBHSA-N 0 3 370.522 3.156 10 30 FGEEHN N#CC1CCN(C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000057880197 493811624 /nfs/dbraw/zinc/81/16/24/493811624.db2.gz PZBONEYCQDFXSU-OAQYLSRUSA-N 0 3 350.462 3.389 10 30 FGEEHN C=CCC[C@H](CN1CCOCC1)Oc1ccc(CN2CCCCC2)cn1 ZINC000072434916 494175393 /nfs/dbraw/zinc/17/53/93/494175393.db2.gz ARNTZCWGDBDKFC-HXUWFJFHSA-N 0 3 359.514 3.113 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000074130084 494486036 /nfs/dbraw/zinc/48/60/36/494486036.db2.gz WLKJEWQQHSMFDY-RTWAWAEBSA-N 0 3 371.525 3.325 10 30 FGEEHN CC(C)c1nnc2n1C[C@@H](NCc1cccc(OCCCC#N)c1)CC2 ZINC000171246744 495787189 /nfs/dbraw/zinc/78/71/89/495787189.db2.gz BLKNKRSOIQAOPM-KRWDZBQOSA-N 0 3 353.470 3.189 10 30 FGEEHN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000180024228 495827724 /nfs/dbraw/zinc/82/77/24/495827724.db2.gz CKLJDXXPNUMVKB-YJBOKZPZSA-N 0 3 352.438 3.402 10 30 FGEEHN CCN1CCC[C@@H]1CN(C)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000177014122 495883704 /nfs/dbraw/zinc/88/37/04/495883704.db2.gz FZTKSFZPYINHEU-GOSISDBHSA-N 0 3 367.449 3.287 10 30 FGEEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000247523224 496879764 /nfs/dbraw/zinc/87/97/64/496879764.db2.gz WWYWJRDWXKOWKU-RDJZCZTQSA-N 0 3 365.433 3.039 10 30 FGEEHN COc1ccc([C@@H](C)CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192245116 497047000 /nfs/dbraw/zinc/04/70/00/497047000.db2.gz DMLAWTVFUPUIIH-KKSFZXQISA-N 0 3 363.461 3.061 10 30 FGEEHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCCC[C@@H]3n3cccn3)C2=O)cc1 ZINC000248744726 497096317 /nfs/dbraw/zinc/09/63/17/497096317.db2.gz MXCPYPFEXLECFJ-AABGKKOBSA-N 0 3 363.465 3.024 10 30 FGEEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000190492847 497502658 /nfs/dbraw/zinc/50/26/58/497502658.db2.gz PTIXMZFVDMUSQO-IBGZPJMESA-N 0 3 363.465 3.133 10 30 FGEEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000190499620 497506171 /nfs/dbraw/zinc/50/61/71/497506171.db2.gz VZTPPFLGNJYDGH-IBGZPJMESA-N 0 3 357.498 3.186 10 30 FGEEHN Cn1cc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000245912608 497569025 /nfs/dbraw/zinc/56/90/25/497569025.db2.gz FYOOJMWZXDKGBC-FPOVZHCZSA-N 0 3 350.466 3.086 10 30 FGEEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000246345581 497704126 /nfs/dbraw/zinc/70/41/26/497704126.db2.gz HJHMWLJYIDSIQN-BXUZGUMPSA-N 0 3 352.385 3.010 10 30 FGEEHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)N2CCCC2)cc1 ZINC000302753139 498559455 /nfs/dbraw/zinc/55/94/55/498559455.db2.gz VVECROFUHXBMOK-GOSISDBHSA-N 0 3 367.409 3.119 10 30 FGEEHN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)N2CCCC2)c1 ZINC000302762460 498563408 /nfs/dbraw/zinc/56/34/08/498563408.db2.gz YRDJLGTZFWBRHS-GOSISDBHSA-N 0 3 367.409 3.119 10 30 FGEEHN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCNCC4)o3)o2)cc1 ZINC000040165762 494138818 /nfs/dbraw/zinc/13/88/18/494138818.db2.gz DHLVQQINNJWKIY-UHFFFAOYSA-N 0 3 364.405 3.103 10 30 FGEEHN CCOc1ccc(C#N)cc1NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000056578470 494530272 /nfs/dbraw/zinc/53/02/72/494530272.db2.gz VYHNNFKNHVANIJ-SFHVURJKSA-N 0 3 352.438 3.381 10 30 FGEEHN CN(Cc1cccc(OCCCC#N)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120195842 495325854 /nfs/dbraw/zinc/32/58/54/495325854.db2.gz RHEJFPHJNQTYSO-LJQANCHMSA-N 0 3 365.481 3.260 10 30 FGEEHN C=CCc1cc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cc(OC)c1O ZINC000120196176 495325975 /nfs/dbraw/zinc/32/59/75/495325975.db2.gz XFPRAVWMSALPSF-GOSISDBHSA-N 0 3 368.481 3.020 10 30 FGEEHN N#Cc1cccc(OCc2cccc(C(=O)N3CCN4CCC[C@H]4C3)c2)c1 ZINC000172217409 496213137 /nfs/dbraw/zinc/21/31/37/496213137.db2.gz GJEOYQYTXNFVTR-FQEVSTJZSA-N 0 3 361.445 3.057 10 30 FGEEHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)N2CCCC2)cc1 ZINC000302753140 498559755 /nfs/dbraw/zinc/55/97/55/498559755.db2.gz VVECROFUHXBMOK-SFHVURJKSA-N 0 3 367.409 3.119 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(c2ncc(C#N)cc2Cl)C1 ZINC000190445244 257368294 /nfs/dbraw/zinc/36/82/94/257368294.db2.gz SNRDSCNSOKOFAE-CYBMUJFWSA-N 0 3 361.902 3.330 10 30 FGEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](n2cc(C)cn2)C1)C(C)C ZINC000111823281 495116257 /nfs/dbraw/zinc/11/62/57/495116257.db2.gz ITLSJENLAOMXEG-VQTJNVASSA-N 0 3 373.545 3.237 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000154783580 495726157 /nfs/dbraw/zinc/72/61/57/495726157.db2.gz HTKXTXIOFQGXBE-OALUTQOASA-N 0 3 363.546 3.406 10 30 FGEEHN N#Cc1ccc(OCc2cccc(C(=O)N3CCN4CCC[C@@H]4C3)c2)cc1 ZINC000172217430 496213016 /nfs/dbraw/zinc/21/30/16/496213016.db2.gz YSPVQRVZDSXFRA-HXUWFJFHSA-N 0 3 361.445 3.057 10 30 FGEEHN C=C(C)C[C@H](C)C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000184430125 496380647 /nfs/dbraw/zinc/38/06/47/496380647.db2.gz BXFUTRIJGKHXLF-RXVVDRJESA-N 0 3 358.526 3.493 10 30 FGEEHN CCc1csc([C@@H]2CCCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000249913645 497256254 /nfs/dbraw/zinc/25/62/54/497256254.db2.gz WSZDFVNTQHEHDQ-SJLPKXTDSA-N 0 3 371.506 3.196 10 30 FGEEHN Cc1cccc(NC[C@@H]2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000246208607 497661384 /nfs/dbraw/zinc/66/13/84/497661384.db2.gz YTFXXRFZDYJRPW-AEFFLSMTSA-N 0 3 363.465 3.023 10 30 FGEEHN N#Cc1ccc(OCC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000379692819 499542881 /nfs/dbraw/zinc/54/28/81/499542881.db2.gz HOPCJSRAJBFNLO-FQEVSTJZSA-N 0 3 363.461 3.108 10 30 FGEEHN CC(C)[NH+](C(C)C)P(OCCC#N)OCCC[N-]C(=O)C(F)(F)F ZINC000043163757 494273529 /nfs/dbraw/zinc/27/35/29/494273529.db2.gz AOAXRHUQUZSDAX-UHFFFAOYSA-N 0 3 371.340 3.348 10 30 FGEEHN Cn1cc(CN2CCC(Cn3cccn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180116078 495864759 /nfs/dbraw/zinc/86/47/59/495864759.db2.gz QITFXBDEFZEGMX-UHFFFAOYSA-N 0 3 360.465 3.067 10 30 FGEEHN C[C@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000180666782 496095644 /nfs/dbraw/zinc/09/56/44/496095644.db2.gz QKJXWSGTHBEZHH-HOTGVXAUSA-N 0 3 359.433 3.422 10 30 FGEEHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190500157 497506635 /nfs/dbraw/zinc/50/66/35/497506635.db2.gz BLMQJMOMEPIZMY-LJQANCHMSA-N 0 3 363.465 3.248 10 30 FGEEHN Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 ZINC000245785143 497537873 /nfs/dbraw/zinc/53/78/73/497537873.db2.gz VDOUPJXHDGQKST-BEFAXECRSA-N 0 3 353.470 3.098 10 30 FGEEHN N#Cc1nc(NC[C@@H]2CCCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000302739553 498554969 /nfs/dbraw/zinc/55/49/69/498554969.db2.gz QMIIYCWDKWJFSA-INIZCTEOSA-N 0 3 351.410 3.328 10 30 FGEEHN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000124666631 700722858 /nfs/dbraw/zinc/72/28/58/700722858.db2.gz BHUFQVULLQALQI-ZYHUDNBSSA-N 0 3 355.221 3.092 10 30 FGEEHN COc1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1OCCCC#N ZINC000128524071 495110993 /nfs/dbraw/zinc/11/09/93/495110993.db2.gz AXENEEFKKQVKNV-QGZVFWFLSA-N 0 3 354.454 3.101 10 30 FGEEHN Cc1nccn1C[C@@H]1CCCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180239660 495920743 /nfs/dbraw/zinc/92/07/43/495920743.db2.gz KDUAARGHZWFOCQ-FQEVSTJZSA-N 0 3 360.465 3.128 10 30 FGEEHN N#Cc1ccccc1COc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000195332256 496892941 /nfs/dbraw/zinc/89/29/41/496892941.db2.gz OCBZZGGQTHYCLZ-FQEVSTJZSA-N 0 3 361.445 3.057 10 30 FGEEHN C[C@@]1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CCCN1Cc1ccccc1 ZINC000302749278 498558392 /nfs/dbraw/zinc/55/83/92/498558392.db2.gz URGAXIFMGFFNHW-IBGZPJMESA-N 0 3 351.410 3.328 10 30 FGEEHN Cc1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c(C#N)c(C)n1 ZINC000302800104 498579860 /nfs/dbraw/zinc/57/98/60/498579860.db2.gz SMONTBOGSYENKT-IBGZPJMESA-N 0 3 350.466 3.273 10 30 FGEEHN CC(C)CC(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000040358502 208248978 /nfs/dbraw/zinc/24/89/78/208248978.db2.gz XIQZALOAIDPQGB-GOSISDBHSA-N 0 3 362.445 3.088 10 30 FGEEHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCCN(CC)C2)cc1 ZINC000056752837 494556546 /nfs/dbraw/zinc/55/65/46/494556546.db2.gz MBBQYANAZJSBNQ-LJQANCHMSA-N 0 3 370.497 3.107 10 30 FGEEHN COc1ccc([C@@H](C)NCCC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000180866216 496176508 /nfs/dbraw/zinc/17/65/08/496176508.db2.gz OMHWDJFTVUEKHV-CQSZACIVSA-N 0 3 353.422 3.255 10 30 FGEEHN C=C(C)C[C@@H](C)C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000184430180 496380482 /nfs/dbraw/zinc/38/04/82/496380482.db2.gz BXFUTRIJGKHXLF-WIYYLYMNSA-N 0 3 358.526 3.493 10 30 FGEEHN Cc1nccn1C[C@@H]1CCCN1Cc1cc(C#N)ccc1Br ZINC000191805032 496896183 /nfs/dbraw/zinc/89/61/83/496896183.db2.gz HLCQXOMOXTYQLG-INIZCTEOSA-N 0 3 359.271 3.490 10 30 FGEEHN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000189904662 497287450 /nfs/dbraw/zinc/28/74/50/497287450.db2.gz DKWFGUUDLGLUSV-GOSISDBHSA-N 0 3 373.460 3.470 10 30 FGEEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000245464438 497419961 /nfs/dbraw/zinc/41/99/61/497419961.db2.gz HWBMHMPSXPLJNK-IAGOWNOFSA-N 0 3 374.554 3.293 10 30 FGEEHN C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCCCC1)C2 ZINC000014746608 210146679 /nfs/dbraw/zinc/14/66/79/210146679.db2.gz JHIARDLIIAJGFB-SFHVURJKSA-N 0 3 370.541 3.429 10 30 FGEEHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000105148286 495340839 /nfs/dbraw/zinc/34/08/39/495340839.db2.gz PYINHDAQKMAIFK-SFHVURJKSA-N 0 3 372.513 3.087 10 30 FGEEHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H]1Cn1ccnc1C ZINC000154576401 495659071 /nfs/dbraw/zinc/65/90/71/495659071.db2.gz DACFZRSRVCZLII-FUHWJXTLSA-N 0 3 372.538 3.321 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000154783805 495727569 /nfs/dbraw/zinc/72/75/69/495727569.db2.gz HTKXTXIOFQGXBE-MOPGFXCFSA-N 0 3 363.546 3.406 10 30 FGEEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc(C#N)cc1Br ZINC000181136711 496283900 /nfs/dbraw/zinc/28/39/00/496283900.db2.gz VNUVPYCYQIDHQX-MRXNPFEDSA-N 0 3 359.271 3.490 10 30 FGEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)C(C)C ZINC000247296860 496827320 /nfs/dbraw/zinc/82/73/20/496827320.db2.gz ULJWQRYMRLZMLX-QKNQBKEWSA-N 0 3 363.546 3.022 10 30 FGEEHN COc1ccc(C#N)cc1CN1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195260038 496864712 /nfs/dbraw/zinc/86/47/12/496864712.db2.gz FSDWKLRFFZPYDI-KRWDZBQOSA-N 0 3 370.522 3.286 10 30 FGEEHN COc1ccc([C@H](C)CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192245111 497047633 /nfs/dbraw/zinc/04/76/33/497047633.db2.gz DMLAWTVFUPUIIH-IIBYNOLFSA-N 0 3 363.461 3.061 10 30 FGEEHN C[C@@H]1CN(CCC2CCN(c3snc(Cl)c3C#N)CC2)C[C@@H](C)O1 ZINC000301596766 498180414 /nfs/dbraw/zinc/18/04/14/498180414.db2.gz ZNZLGJGSBGPMMG-CHWSQXEVSA-N 0 3 368.934 3.384 10 30 FGEEHN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000248760700 713658369 /nfs/dbraw/zinc/65/83/69/713658369.db2.gz LTXXUPAMTAIHEM-VBNZEHGJSA-N 0 3 355.463 3.473 10 30 FGEEHN Cc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)o1 ZINC000043721983 494314822 /nfs/dbraw/zinc/31/48/22/494314822.db2.gz JEKVIRMLLYENFC-INIZCTEOSA-N 0 3 354.454 3.294 10 30 FGEEHN C=CCc1cc(CN2CC[C@@H](CNc3ccccn3)C2)cc(OC)c1O ZINC000092812585 494758184 /nfs/dbraw/zinc/75/81/84/494758184.db2.gz KFVHZQZKIROZAW-INIZCTEOSA-N 0 3 353.466 3.458 10 30 FGEEHN Cn1nccc1C1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000103473420 495238115 /nfs/dbraw/zinc/23/81/15/495238115.db2.gz AKTQPUGLQHPNIC-UHFFFAOYSA-N 0 3 371.872 3.153 10 30 FGEEHN N#CC1(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)CCCCC1 ZINC000115158195 495469763 /nfs/dbraw/zinc/46/97/63/495469763.db2.gz XPUNARYLCJCQHN-FQEVSTJZSA-N 0 3 369.509 3.022 10 30 FGEEHN N#Cc1cnc2c(F)ccc(Cl)c2c1NC[C@@H](O)CN1CCCCC1 ZINC000174686457 496061583 /nfs/dbraw/zinc/06/15/83/496061583.db2.gz LRWNNBDBBQABJE-CYBMUJFWSA-N 0 3 362.836 3.158 10 30 FGEEHN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180659566 496090966 /nfs/dbraw/zinc/09/09/66/496090966.db2.gz UTSIMMNRYCBSOR-KRWDZBQOSA-N 0 3 365.481 3.208 10 30 FGEEHN CCN1CCC[C@@H]1CN(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000177695051 496162936 /nfs/dbraw/zinc/16/29/36/496162936.db2.gz BIWPTYNEJUAPKS-QGZVFWFLSA-N 0 3 352.482 3.154 10 30 FGEEHN CCN1CCC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000172217007 496212759 /nfs/dbraw/zinc/21/27/59/496212759.db2.gz PQMXJDOYKREGGJ-HXUWFJFHSA-N 0 3 363.461 3.351 10 30 FGEEHN CCN(CC(=O)OC(C)(C)C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000190352556 497447737 /nfs/dbraw/zinc/44/77/37/497447737.db2.gz SOCSLJSTDBESTE-UHFFFAOYSA-N 0 3 357.498 3.186 10 30 FGEEHN C#Cc1cccc(NC(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)c1 ZINC000190493249 497502399 /nfs/dbraw/zinc/50/23/99/497502399.db2.gz IQMYEUMPRUJMCH-QGZVFWFLSA-N 0 3 368.506 3.419 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000190564395 497530269 /nfs/dbraw/zinc/53/02/69/497530269.db2.gz UEDKHMIOSNRWIB-KRWDZBQOSA-N 0 3 368.506 3.226 10 30 FGEEHN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)O1 ZINC000248168254 713646809 /nfs/dbraw/zinc/64/68/09/713646809.db2.gz IMTAPRZARWEWER-JIMOISOXSA-N 0 3 354.378 3.216 10 30 FGEEHN C=CCC[C@@H](CN1CCOCC1)Oc1ccc(CN2CCCCC2)cn1 ZINC000072434914 210066537 /nfs/dbraw/zinc/06/65/37/210066537.db2.gz ARNTZCWGDBDKFC-FQEVSTJZSA-N 0 3 359.514 3.113 10 30 FGEEHN C=CCc1cc(CN(C)[C@H]2CCCN(c3cccnn3)C2)cc(OC)c1O ZINC000120196356 495326029 /nfs/dbraw/zinc/32/60/29/495326029.db2.gz XFPRAVWMSALPSF-SFHVURJKSA-N 0 3 368.481 3.020 10 30 FGEEHN CCOCCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CC ZINC000177132510 495940171 /nfs/dbraw/zinc/94/01/71/495940171.db2.gz ANLHQNPVONYKRA-IBGZPJMESA-N 0 3 368.443 3.490 10 30 FGEEHN C[C@@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)Nc1ccccc1C#N ZINC000180672373 496098644 /nfs/dbraw/zinc/09/86/44/496098644.db2.gz ANLPWDCNRZXAJK-JKSUJKDBSA-N 0 3 359.433 3.422 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000195262265 496866131 /nfs/dbraw/zinc/86/61/31/496866131.db2.gz MGJFQOFUAVRHAU-INIZCTEOSA-N 0 3 358.486 3.416 10 30 FGEEHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCCC[C@H]3n3cccn3)C2=O)cc1 ZINC000248744731 497096701 /nfs/dbraw/zinc/09/67/01/497096701.db2.gz MXCPYPFEXLECFJ-HSALFYBXSA-N 0 3 363.465 3.024 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000190561212 497528615 /nfs/dbraw/zinc/52/86/15/497528615.db2.gz WHAAEGIAWOJZTB-KRWDZBQOSA-N 0 3 368.506 3.112 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000190564378 497530303 /nfs/dbraw/zinc/53/03/03/497530303.db2.gz UEDKHMIOSNRWIB-QGZVFWFLSA-N 0 3 368.506 3.226 10 30 FGEEHN N#Cc1nc(NC[C@H]2CCCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000302739554 498554341 /nfs/dbraw/zinc/55/43/41/498554341.db2.gz QMIIYCWDKWJFSA-MRXNPFEDSA-N 0 3 351.410 3.328 10 30 FGEEHN N#Cc1ccccc1OCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379699405 499542670 /nfs/dbraw/zinc/54/26/70/499542670.db2.gz PRGBQCUBZVQRON-FQEVSTJZSA-N 0 3 363.461 3.108 10 30 FGEEHN C=CCN(CC=C)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014754189 210146508 /nfs/dbraw/zinc/14/65/08/210146508.db2.gz NKJBTXVZJOVUDS-SFHVURJKSA-N 0 3 370.541 3.306 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000074130091 494485741 /nfs/dbraw/zinc/48/57/41/494485741.db2.gz WLKJEWQQHSMFDY-LEWJYISDSA-N 0 3 371.525 3.325 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000173493521 495557149 /nfs/dbraw/zinc/55/71/49/495557149.db2.gz ZHRGEGZPQKPQDW-INIZCTEOSA-N 0 3 362.543 3.381 10 30 FGEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000155584027 496003105 /nfs/dbraw/zinc/00/31/05/496003105.db2.gz OIHYFSVRBMWEFU-QAPCUYQASA-N 0 3 367.449 3.189 10 30 FGEEHN CC(C)C[C@H](CN(C)C)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000152564373 496189907 /nfs/dbraw/zinc/18/99/07/496189907.db2.gz RWAWWFQHILSXQD-GOSISDBHSA-N 0 3 369.465 3.436 10 30 FGEEHN CCc1csc([C@@H]2CCCN(C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000195379251 496905925 /nfs/dbraw/zinc/90/59/25/496905925.db2.gz WSZDFVNTQHEHDQ-AEFFLSMTSA-N 0 3 371.506 3.196 10 30 FGEEHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191977733 496951113 /nfs/dbraw/zinc/95/11/13/496951113.db2.gz IFDJRONMZDTTLO-INIZCTEOSA-N 0 3 357.498 3.357 10 30 FGEEHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190500179 497505786 /nfs/dbraw/zinc/50/57/86/497505786.db2.gz BLMQJMOMEPIZMY-IBGZPJMESA-N 0 3 363.465 3.248 10 30 FGEEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000190505314 497509024 /nfs/dbraw/zinc/50/90/24/497509024.db2.gz JRLYHFRSUJELHA-INIZCTEOSA-N 0 3 367.428 3.078 10 30 FGEEHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)C2)n1 ZINC000245785145 497537207 /nfs/dbraw/zinc/53/72/07/497537207.db2.gz VDOUPJXHDGQKST-DNVCBOLYSA-N 0 3 353.470 3.098 10 30 FGEEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)CSc1ccc(C#N)cc1 ZINC000182090630 705825585 /nfs/dbraw/zinc/82/55/85/705825585.db2.gz BXRPJGSKZSADNA-INIZCTEOSA-N 0 3 353.491 3.287 10 30 FGEEHN Cc1nc(C[C@@H]2CCCN(Cc3ccc(N(C)CCC#N)cc3)C2)no1 ZINC000092814139 494761109 /nfs/dbraw/zinc/76/11/09/494761109.db2.gz WUJILSHOIKUXFA-SFHVURJKSA-N 0 3 353.470 3.183 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000176498448 495674261 /nfs/dbraw/zinc/67/42/61/495674261.db2.gz ZJJOUKRBDWBRJH-KRWDZBQOSA-N 0 3 367.497 3.273 10 30 FGEEHN C#CCCCCC(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000180339929 495957969 /nfs/dbraw/zinc/95/79/69/495957969.db2.gz XKPVNEKFJKDMGM-OAQYLSRUSA-N 0 3 356.510 3.084 10 30 FGEEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000113231381 495287130 /nfs/dbraw/zinc/28/71/30/495287130.db2.gz WWYWJRDWXKOWKU-NVXWUHKLSA-N 0 3 365.433 3.039 10 30 FGEEHN CN(CCOc1ccccc1C#N)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160168 495420838 /nfs/dbraw/zinc/42/08/38/495420838.db2.gz HTSKBMZWZHGSIL-GOSISDBHSA-N 0 3 371.506 3.004 10 30 FGEEHN CCN1CCC[C@H]1CN(C)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000177014137 495884132 /nfs/dbraw/zinc/88/41/32/495884132.db2.gz FZTKSFZPYINHEU-SFHVURJKSA-N 0 3 367.449 3.287 10 30 FGEEHN Cn1cc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180184998 495896736 /nfs/dbraw/zinc/89/67/36/495896736.db2.gz FYOOJMWZXDKGBC-CTNGQTDRSA-N 0 3 350.466 3.086 10 30 FGEEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000177697336 496163501 /nfs/dbraw/zinc/16/35/01/496163501.db2.gz JONYZYYJTBWVEB-DLBZAZTESA-N 0 3 374.554 3.435 10 30 FGEEHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000157996106 496604127 /nfs/dbraw/zinc/60/41/27/496604127.db2.gz JSJWKYQRJAAKQK-QGZVFWFLSA-N 0 3 354.454 3.133 10 30 FGEEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1occc1COc1cccc(C#N)c1 ZINC000246966942 496738295 /nfs/dbraw/zinc/73/82/95/496738295.db2.gz DOAUESOLNOYBBP-YJBOKZPZSA-N 0 3 365.433 3.039 10 30 FGEEHN CN(C)C[C@@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC000188718114 496886344 /nfs/dbraw/zinc/88/63/44/496886344.db2.gz LVMKZTUXMKCHHK-QGZVFWFLSA-N 0 3 367.453 3.189 10 30 FGEEHN N#CCCN(C(=O)CN1CCC(c2ccn[nH]2)CC1)c1cccc(Cl)c1 ZINC000195513399 496947441 /nfs/dbraw/zinc/94/74/41/496947441.db2.gz KBWYSBADTVBPQJ-UHFFFAOYSA-N 0 3 371.872 3.189 10 30 FGEEHN N#Cc1ccc(C(F)(F)F)nc1Nc1cnn(CCN2CCCCC2)c1 ZINC000092978353 494800741 /nfs/dbraw/zinc/80/07/41/494800741.db2.gz XQMXEJBSVKJGDV-UHFFFAOYSA-N 0 3 364.375 3.398 10 30 FGEEHN N#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2c2cn[nH]c2)cc1Cl ZINC000114201735 495353543 /nfs/dbraw/zinc/35/35/43/495353543.db2.gz AFKRQNBREXDBRJ-QGZVFWFLSA-N 0 3 357.845 3.491 10 30 FGEEHN CN(CCOc1ccc(C#N)cc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162522 495421991 /nfs/dbraw/zinc/42/19/91/495421991.db2.gz XWBYJPDKDIBLDY-IBGZPJMESA-N 0 3 371.506 3.004 10 30 FGEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)C(C)C ZINC000182359655 495532769 /nfs/dbraw/zinc/53/27/69/495532769.db2.gz QDZMPZXVWIYPLS-OALUTQOASA-N 0 3 359.518 3.345 10 30 FGEEHN C=C[C@](C)(CC)C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188617502 496852297 /nfs/dbraw/zinc/85/22/97/496852297.db2.gz YRYRLIDPGZYHFT-RBBKRZOGSA-N 0 3 358.526 3.493 10 30 FGEEHN C(#CCN1CC[C@@H](Nc2ccccc2)C1)CN1CC[C@@H](Nc2ccccc2)C1 ZINC000241862488 497353905 /nfs/dbraw/zinc/35/39/05/497353905.db2.gz SQJFXMOBPXEXDV-DNQXCXABSA-N 0 3 374.532 3.363 10 30 FGEEHN Cc1cc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(C#N)c(C)n1 ZINC000302800105 498579598 /nfs/dbraw/zinc/57/95/98/498579598.db2.gz SMONTBOGSYENKT-LJQANCHMSA-N 0 3 350.466 3.273 10 30 FGEEHN CCN1CCC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000055323091 494327430 /nfs/dbraw/zinc/32/74/30/494327430.db2.gz IDRJUDTUBXZOIA-HXUWFJFHSA-N 0 3 363.461 3.351 10 30 FGEEHN C=C(C)COc1cc(CN2CCC[C@H](Cn3cncn3)C2)ccc1OC ZINC000128468309 495101774 /nfs/dbraw/zinc/10/17/74/495101774.db2.gz TZQRVZXQLZVRRT-SFHVURJKSA-N 0 3 356.470 3.154 10 30 FGEEHN CCc1nccn1[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000106216929 495434057 /nfs/dbraw/zinc/43/40/57/495434057.db2.gz FSNQGVOCNOQGMF-OAHLLOKOSA-N 0 3 357.483 3.044 10 30 FGEEHN COc1ccc([C@H](CNc2cc(C)nc(C)c2C#N)N(C)C)cc1OC ZINC000160438731 495964087 /nfs/dbraw/zinc/96/40/87/495964087.db2.gz ONNWXUMUVLKKJY-SFHVURJKSA-N 0 3 354.454 3.302 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000195255916 496863391 /nfs/dbraw/zinc/86/33/91/496863391.db2.gz JEOKKHZZWWJIFD-KRWDZBQOSA-N 0 3 370.522 3.156 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000195255929 496863753 /nfs/dbraw/zinc/86/37/53/496863753.db2.gz JEOKKHZZWWJIFD-QGZVFWFLSA-N 0 3 370.522 3.156 10 30 FGEEHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(c2ccn[nH]2)CC1 ZINC000195505573 496945476 /nfs/dbraw/zinc/94/54/76/496945476.db2.gz CZVZBKFJHSKFHI-LBPRGKRZSA-N 0 3 357.845 3.141 10 30 FGEEHN C=CCN(CC=C)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014754191 220132648 /nfs/dbraw/zinc/13/26/48/220132648.db2.gz NKJBTXVZJOVUDS-GOSISDBHSA-N 0 3 370.541 3.306 10 30 FGEEHN CCOc1ccc(C#N)cc1NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000056578471 494530196 /nfs/dbraw/zinc/53/01/96/494530196.db2.gz VYHNNFKNHVANIJ-GOSISDBHSA-N 0 3 352.438 3.381 10 30 FGEEHN Cc1cnn([C@@H]2CCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000106222343 495436095 /nfs/dbraw/zinc/43/60/95/495436095.db2.gz FVJAWHQJTLPUTR-QGZVFWFLSA-N 0 3 371.872 3.382 10 30 FGEEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000176343142 495609836 /nfs/dbraw/zinc/60/98/36/495609836.db2.gz OLMWBURXUAMCIT-ZDUSSCGKSA-N 0 3 352.385 3.108 10 30 FGEEHN C=CCN1CCC(NC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000178775443 496566945 /nfs/dbraw/zinc/56/69/45/496566945.db2.gz FKJVIUPQZHQTOM-MRXNPFEDSA-N 0 3 355.404 3.110 10 30 FGEEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000190622442 497549835 /nfs/dbraw/zinc/54/98/35/497549835.db2.gz HLRLYDWDPTZTBA-IBGZPJMESA-N 0 3 374.488 3.231 10 30 FGEEHN CCCCCCCCOC[C@@H](O)CNCCOc1ccccc1OC ZINC000584627883 507434484 /nfs/dbraw/zinc/43/44/84/507434484.db2.gz OHARMKBLCNAIRA-SFHVURJKSA-N 0 3 353.503 3.402 10 30 FGEEHN C=C(C)CS(=O)(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000223443375 713570503 /nfs/dbraw/zinc/57/05/03/713570503.db2.gz FPYUTHGWPKLXRL-IBGZPJMESA-N 0 3 350.528 3.408 10 30 FGEEHN CN(Cc1ccc(F)c(C#N)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000120089652 495305297 /nfs/dbraw/zinc/30/52/97/495305297.db2.gz NAHLXYSNBVHSSJ-SFHVURJKSA-N 0 3 359.470 3.264 10 30 FGEEHN CCN1CCC[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114688335 495408963 /nfs/dbraw/zinc/40/89/63/495408963.db2.gz OKZOCYALXFVVNW-FQEVSTJZSA-N 0 3 363.461 3.351 10 30 FGEEHN CCc1nccn1[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000106216931 495434969 /nfs/dbraw/zinc/43/49/69/495434969.db2.gz FSNQGVOCNOQGMF-HNNXBMFYSA-N 0 3 357.483 3.044 10 30 FGEEHN Cc1cnn([C@H]2CCCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000106222346 495435876 /nfs/dbraw/zinc/43/58/76/495435876.db2.gz FVJAWHQJTLPUTR-KRWDZBQOSA-N 0 3 371.872 3.382 10 30 FGEEHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2ccn[nH]2)CC1 ZINC000195507784 496945263 /nfs/dbraw/zinc/94/52/63/496945263.db2.gz XTCYNONTXBAVDW-HNNXBMFYSA-N 0 3 369.444 3.064 10 30 FGEEHN C=CCOc1ccccc1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190577303 497534329 /nfs/dbraw/zinc/53/43/29/497534329.db2.gz AKGMDOJGWPTBOT-LJQANCHMSA-N 0 3 365.477 3.241 10 30 FGEEHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000108707404 700527631 /nfs/dbraw/zinc/52/76/31/700527631.db2.gz DQCOAFUUSZRZSO-CYBMUJFWSA-N 0 3 354.372 3.108 10 30 FGEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C(C)C ZINC000182359615 495532543 /nfs/dbraw/zinc/53/25/43/495532543.db2.gz QDZMPZXVWIYPLS-MOPGFXCFSA-N 0 3 359.518 3.345 10 30 FGEEHN C=C(C)CN(CC)C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173494982 495557173 /nfs/dbraw/zinc/55/71/73/495557173.db2.gz KTAONVCJNVXEML-FQEVSTJZSA-N 0 3 359.514 3.040 10 30 FGEEHN Cn1cc(CN2CC[C@@H](CNc3ccccn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180042762 495834466 /nfs/dbraw/zinc/83/44/66/495834466.db2.gz CRHPDENBHBYOKO-SFHVURJKSA-N 0 3 372.476 3.288 10 30 FGEEHN N#Cc1cnc2c(F)ccc(Cl)c2c1NC[C@H](O)CN1CCCCC1 ZINC000174686446 496062106 /nfs/dbraw/zinc/06/21/06/496062106.db2.gz LRWNNBDBBQABJE-ZDUSSCGKSA-N 0 3 362.836 3.158 10 30 FGEEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000247008341 496750621 /nfs/dbraw/zinc/75/06/21/496750621.db2.gz HBKZKRKFBIAFAJ-HNAYVOBHSA-N 0 3 367.449 3.189 10 30 FGEEHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CCCC[C@@H]3n3cccn3)C2=O)cc1 ZINC000248744741 497096344 /nfs/dbraw/zinc/09/63/44/497096344.db2.gz MXCPYPFEXLECFJ-UFYCRDLUSA-N 0 3 363.465 3.024 10 30 FGEEHN C=CCOc1ccc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190614908 497546794 /nfs/dbraw/zinc/54/67/94/497546794.db2.gz PFWANXBQWCKHPV-IBGZPJMESA-N 0 3 365.477 3.241 10 30 FGEEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000190852905 497622878 /nfs/dbraw/zinc/62/28/78/497622878.db2.gz OXAKPLIMLLIWRA-OAHLLOKOSA-N 0 3 363.527 3.248 10 30 FGEEHN Cc1cc(C#N)ccc1CN(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000186214391 712712487 /nfs/dbraw/zinc/71/24/87/712712487.db2.gz RAOLOCVXSQSPPD-LJQANCHMSA-N 0 3 355.507 3.434 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000074130086 494485942 /nfs/dbraw/zinc/48/59/42/494485942.db2.gz WLKJEWQQHSMFDY-SFTDATJTSA-N 0 3 371.525 3.325 10 30 FGEEHN COc1ccc(CN(C)C[C@@H](c2cccs2)N2CCOCC2)cc1C#N ZINC000135053625 495245323 /nfs/dbraw/zinc/24/53/23/495245323.db2.gz OLFINKWEVJGOOT-SFHVURJKSA-N 0 3 371.506 3.134 10 30 FGEEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000106211724 495432448 /nfs/dbraw/zinc/43/24/48/495432448.db2.gz STNOWAMCSOOIPK-SFHVURJKSA-N 0 3 351.454 3.074 10 30 FGEEHN Cc1nccn1C[C@H]1CCCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180239675 495920562 /nfs/dbraw/zinc/92/05/62/495920562.db2.gz KDUAARGHZWFOCQ-HXUWFJFHSA-N 0 3 360.465 3.128 10 30 FGEEHN CCN1CCC[C@H]1CN(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000177695065 496162847 /nfs/dbraw/zinc/16/28/47/496162847.db2.gz BIWPTYNEJUAPKS-KRWDZBQOSA-N 0 3 352.482 3.154 10 30 FGEEHN CCN1CCC[C@H]1CN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000175333047 496344445 /nfs/dbraw/zinc/34/44/45/496344445.db2.gz FQMBKDPRMWULKA-SFHVURJKSA-N 0 3 362.905 3.003 10 30 FGEEHN COc1cc(C#N)ccc1CN1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195254736 496863704 /nfs/dbraw/zinc/86/37/04/496863704.db2.gz QFOZOQTUYIQHPJ-KRWDZBQOSA-N 0 3 370.522 3.286 10 30 FGEEHN C[C@H](c1cccc(C#N)c1)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191980129 496951967 /nfs/dbraw/zinc/95/19/67/496951967.db2.gz WDOGQSFHQKUJRU-MRXNPFEDSA-N 0 3 357.498 3.357 10 30 FGEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000190502015 497506578 /nfs/dbraw/zinc/50/65/78/497506578.db2.gz HHFMVOGEXLLVSY-MRXNPFEDSA-N 0 3 367.428 3.078 10 30 FGEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000190505340 497508999 /nfs/dbraw/zinc/50/89/99/497508999.db2.gz JRLYHFRSUJELHA-MRXNPFEDSA-N 0 3 367.428 3.078 10 30 FGEEHN CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000246345593 497704223 /nfs/dbraw/zinc/70/42/23/497704223.db2.gz HJHMWLJYIDSIQN-SMDDNHRTSA-N 0 3 352.385 3.010 10 30 FGEEHN C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O ZINC000004392967 493876372 /nfs/dbraw/zinc/87/63/72/493876372.db2.gz MPYLDWFDPHRTEG-PAAYLBSLSA-N 0 3 360.498 3.109 10 30 investigational FGEEHN C=CCOc1ccc(CN2CCC[C@H](Cc3noc(C)n3)C2)cc1OC ZINC000092814052 494760873 /nfs/dbraw/zinc/76/08/73/494760873.db2.gz CDWGSCBCBIALST-MRXNPFEDSA-N 0 3 357.454 3.406 10 30 FGEEHN C=CCc1cc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)cc(OC)c1O ZINC000121943195 494895820 /nfs/dbraw/zinc/89/58/20/494895820.db2.gz HENSDNNNOLJQKW-KRWDZBQOSA-N 0 3 370.497 3.250 10 30 FGEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1)C(C)C ZINC000111823274 495116263 /nfs/dbraw/zinc/11/62/63/495116263.db2.gz ITLSJENLAOMXEG-UXHICEINSA-N 0 3 373.545 3.237 10 30 FGEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)C(C)C ZINC000136899872 495408252 /nfs/dbraw/zinc/40/82/52/495408252.db2.gz ULJWQRYMRLZMLX-SFHLNBCPSA-N 0 3 363.546 3.022 10 30 FGEEHN CCN1CCC[C@H]1CN(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000176187365 495537940 /nfs/dbraw/zinc/53/79/40/495537940.db2.gz IWMRKABZKUTHCC-KRWDZBQOSA-N 0 3 367.415 3.183 10 30 FGEEHN CCOCCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1CC ZINC000177132494 495940084 /nfs/dbraw/zinc/94/00/84/495940084.db2.gz ANLHQNPVONYKRA-LJQANCHMSA-N 0 3 368.443 3.490 10 30 FGEEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000177702899 496164765 /nfs/dbraw/zinc/16/47/65/496164765.db2.gz HWBMHMPSXPLJNK-IRXDYDNUSA-N 0 3 374.554 3.293 10 30 FGEEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000176165299 496710649 /nfs/dbraw/zinc/71/06/49/496710649.db2.gz GCWQRVJSBBHGFX-QGZVFWFLSA-N 0 3 367.415 3.183 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(Cc2ccc(F)cc2C#N)C1 ZINC000195266114 496868815 /nfs/dbraw/zinc/86/88/15/496868815.db2.gz FVVWKHJSYHUPGQ-OAHLLOKOSA-N 0 3 358.486 3.416 10 30 FGEEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000190512182 497511285 /nfs/dbraw/zinc/51/12/85/497511285.db2.gz YXCCYQDSGIWETM-FQEVSTJZSA-N 0 3 374.500 3.305 10 30 FGEEHN N#Cc1ccc(Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)nn1 ZINC000301918332 498328397 /nfs/dbraw/zinc/32/83/97/498328397.db2.gz JSNCTAIKFRZPJR-UHFFFAOYSA-N 0 3 370.460 3.414 10 30 FGEEHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CCN1Cc1ccccc1 ZINC000302709708 498540490 /nfs/dbraw/zinc/54/04/90/498540490.db2.gz HSZJDXXKJIGOFL-HOCLYGCPSA-N 0 3 351.410 3.326 10 30 FGEEHN COc1ccc(C=NNC(=N)N)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000008301148 494081818 /nfs/dbraw/zinc/08/18/18/494081818.db2.gz UYKBTSXGZNZSSZ-LSFURLLWSA-N 0 3 360.845 3.152 10 30 FGEEHN N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCNCC1 ZINC000040165751 494138512 /nfs/dbraw/zinc/13/85/12/494138512.db2.gz FCEZKCKSSRCPBA-UHFFFAOYSA-N 0 3 360.417 3.202 10 30 FGEEHN N#Cc1ccc(NCC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000109312708 494858306 /nfs/dbraw/zinc/85/83/06/494858306.db2.gz JEBPLWWPUXUFAJ-OAQYLSRUSA-N 0 3 362.477 3.141 10 30 FGEEHN COc1cc(C#N)ccc1OCCN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000157744429 496542720 /nfs/dbraw/zinc/54/27/20/496542720.db2.gz ZJQUHRBZDPNQCJ-SFHVURJKSA-N 0 3 366.465 3.083 10 30 FGEEHN C[C@@H](NCCCOc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000182193852 496702799 /nfs/dbraw/zinc/70/27/99/496702799.db2.gz IQXDVAUPGGTOSQ-OAHLLOKOSA-N 0 3 358.463 3.081 10 30 FGEEHN CCN1CCC[C@H]1CN(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000176165322 496710660 /nfs/dbraw/zinc/71/06/60/496710660.db2.gz GCWQRVJSBBHGFX-KRWDZBQOSA-N 0 3 367.415 3.183 10 30 FGEEHN CCc1csc([C@H]2CCCN(C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000195379257 496905941 /nfs/dbraw/zinc/90/59/41/496905941.db2.gz WSZDFVNTQHEHDQ-WMZOPIPTSA-N 0 3 371.506 3.196 10 30 FGEEHN C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1cccc(Cl)c1)C2 ZINC000014749225 519286817 /nfs/dbraw/zinc/28/68/17/519286817.db2.gz YAWACPYLJHLSBY-MRXNPFEDSA-N 0 3 372.900 3.071 10 30 FGEEHN C=CCC(CC=C)C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000151056600 495724693 /nfs/dbraw/zinc/72/46/93/495724693.db2.gz SVIBBTCCQFHGKL-NRFANRHFSA-N 0 3 356.510 3.317 10 30 FGEEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000177697350 496163317 /nfs/dbraw/zinc/16/33/17/496163317.db2.gz JONYZYYJTBWVEB-IRXDYDNUSA-N 0 3 374.554 3.435 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000190462286 497488778 /nfs/dbraw/zinc/48/87/78/497488778.db2.gz RMYOJAAKSBDUQJ-INIZCTEOSA-N 0 3 358.486 3.416 10 30 FGEEHN CC(C)CCN1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301361824 498074548 /nfs/dbraw/zinc/07/45/48/498074548.db2.gz MCIKXOPWZANJBU-UHFFFAOYSA-N 0 3 353.426 3.183 10 30 FGEEHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CCN1Cc1ccccc1 ZINC000302709711 498540524 /nfs/dbraw/zinc/54/05/24/498540524.db2.gz HSZJDXXKJIGOFL-ZBFHGGJFSA-N 0 3 351.410 3.326 10 30 FGEEHN C[C@]1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CCCN1Cc1ccccc1 ZINC000302749279 498558137 /nfs/dbraw/zinc/55/81/37/498558137.db2.gz URGAXIFMGFFNHW-LJQANCHMSA-N 0 3 351.410 3.328 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2ncc(C#N)cc2Cl)C1 ZINC000190445223 257368576 /nfs/dbraw/zinc/36/85/76/257368576.db2.gz SNRDSCNSOKOFAE-ZDUSSCGKSA-N 0 3 361.902 3.330 10 30 FGEEHN CCN(CC)CC#CCOC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000029406793 493838106 /nfs/dbraw/zinc/83/81/06/493838106.db2.gz DRBYLMLUURMIDQ-CQSZACIVSA-N 0 3 352.272 3.441 10 30 FGEEHN Cc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)o1 ZINC000043721980 494315095 /nfs/dbraw/zinc/31/50/95/494315095.db2.gz JEKVIRMLLYENFC-MRXNPFEDSA-N 0 3 354.454 3.294 10 30 FGEEHN C=CCN1CCC(NC(=O)N2CCC[C@H](c3nc(CC)cs3)C2)CC1 ZINC000172265095 496236230 /nfs/dbraw/zinc/23/62/30/496236230.db2.gz LVVJPMZOKHNOBW-HNNXBMFYSA-N 0 3 362.543 3.245 10 30 FGEEHN C=C(C)C[C@H](C)C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000184430164 496380804 /nfs/dbraw/zinc/38/08/04/496380804.db2.gz BXFUTRIJGKHXLF-GHTZIAJQSA-N 0 3 358.526 3.493 10 30 FGEEHN CCc1csc([C@H]2CCCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000249913641 497256843 /nfs/dbraw/zinc/25/68/43/497256843.db2.gz WSZDFVNTQHEHDQ-FUHWJXTLSA-N 0 3 371.506 3.196 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000190561234 497528874 /nfs/dbraw/zinc/52/88/74/497528874.db2.gz WHAAEGIAWOJZTB-QGZVFWFLSA-N 0 3 368.506 3.112 10 30 FGEEHN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)O1 ZINC000248168252 713646635 /nfs/dbraw/zinc/64/66/35/713646635.db2.gz IMTAPRZARWEWER-ICCXJUOJSA-N 0 3 354.378 3.216 10 30 FGEEHN N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCCN1Cc1ccccc1 ZINC000067384738 494528559 /nfs/dbraw/zinc/52/85/59/494528559.db2.gz XZEIWPGNWOKMTM-QGZVFWFLSA-N 0 3 351.410 3.328 10 30 FGEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C(C)C ZINC000182359593 495533088 /nfs/dbraw/zinc/53/30/88/495533088.db2.gz QDZMPZXVWIYPLS-RTBURBONSA-N 0 3 359.518 3.345 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000154783696 495728047 /nfs/dbraw/zinc/72/80/47/495728047.db2.gz HTKXTXIOFQGXBE-RTBURBONSA-N 0 3 363.546 3.406 10 30 FGEEHN CC(C)N1C[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)[C@@H](C)C1 ZINC000155782870 496066794 /nfs/dbraw/zinc/06/67/94/496066794.db2.gz HBKZKRKFBIAFAJ-KXBFYZLASA-N 0 3 367.449 3.189 10 30 FGEEHN C[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180659586 496091504 /nfs/dbraw/zinc/09/15/04/496091504.db2.gz UTSIMMNRYCBSOR-QGZVFWFLSA-N 0 3 365.481 3.208 10 30 FGEEHN C[C@@H](N[C@H](C)c1cccc(-n2ccnc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000180663680 496094322 /nfs/dbraw/zinc/09/43/22/496094322.db2.gz OLWCUSUWXNJNOV-IAGOWNOFSA-N 0 3 365.481 3.254 10 30 FGEEHN C=CCC1(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)CCC1 ZINC000188498480 496811168 /nfs/dbraw/zinc/81/11/68/496811168.db2.gz CMIKXRSIBBYBSL-HXUWFJFHSA-N 0 3 356.510 3.295 10 30 FGEEHN CCN1CCC[C@@H]1CN(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000245466851 497420780 /nfs/dbraw/zinc/42/07/80/497420780.db2.gz JONYZYYJTBWVEB-IAGOWNOFSA-N 0 3 374.554 3.435 10 30 FGEEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000190499854 497505616 /nfs/dbraw/zinc/50/56/16/497505616.db2.gz BFIITZXNGFZAOH-LJQANCHMSA-N 0 3 357.498 3.186 10 30 FGEEHN CN1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000328990628 499008878 /nfs/dbraw/zinc/00/88/78/499008878.db2.gz FKTCSYFRPABSEL-SSAUXNHXSA-N 0 3 373.541 3.245 10 30 FGEEHN N#CCCCOc1cccc(CN2CCC(Nc3cccnn3)CC2)c1 ZINC000120292288 495345300 /nfs/dbraw/zinc/34/53/00/495345300.db2.gz ALJDFLUOXBCQRH-UHFFFAOYSA-N 0 3 351.454 3.236 10 30 FGEEHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000171699070 495994107 /nfs/dbraw/zinc/99/41/07/495994107.db2.gz OBENCESLDQJDAT-ZDUSSCGKSA-N 0 3 366.303 3.460 10 30 FGEEHN CCN1CCC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000172216991 496213081 /nfs/dbraw/zinc/21/30/81/496213081.db2.gz JBXWNWLKCIWWPJ-HXUWFJFHSA-N 0 3 363.461 3.351 10 30 FGEEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000190852520 497622626 /nfs/dbraw/zinc/62/26/26/497622626.db2.gz CIQQLEMRWIGYCO-INIZCTEOSA-N 0 3 363.527 3.248 10 30 FGEEHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000330259833 498084241 /nfs/dbraw/zinc/08/42/41/498084241.db2.gz SHHNKMFPYJGFRK-YZGWKJHDSA-N 0 3 367.497 3.097 10 30 FGEEHN C[C@H](c1ccccc1)N1CC[C@H]([NH+]=C([O-])N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000330259833 498084245 /nfs/dbraw/zinc/08/42/45/498084245.db2.gz SHHNKMFPYJGFRK-YZGWKJHDSA-N 0 3 367.497 3.097 10 30 FGEEHN C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1cccc(Cl)c1)C2 ZINC000014749226 519286950 /nfs/dbraw/zinc/28/69/50/519286950.db2.gz YAWACPYLJHLSBY-INIZCTEOSA-N 0 3 372.900 3.071 10 30 FGEEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000120961896 495493342 /nfs/dbraw/zinc/49/33/42/495493342.db2.gz YNRKXVJVLIZPJO-KRWDZBQOSA-N 0 3 369.465 3.436 10 30 FGEEHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180062106 495841740 /nfs/dbraw/zinc/84/17/40/495841740.db2.gz LXGCIQCDSUKXQL-NHYWBVRUSA-N 0 3 369.387 3.146 10 30 FGEEHN N#Cc1ccccc1OCc1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000172139875 496180834 /nfs/dbraw/zinc/18/08/34/496180834.db2.gz HZZYSZIGCODURY-FQEVSTJZSA-N 0 3 361.445 3.057 10 30 FGEEHN COc1ccc([C@H](C)CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192245121 497047840 /nfs/dbraw/zinc/04/78/40/497047840.db2.gz DMLAWTVFUPUIIH-IERDGZPVSA-N 0 3 363.461 3.061 10 30 FGEEHN C#Cc1cccc(NC(=O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)c1 ZINC000190493223 497502863 /nfs/dbraw/zinc/50/28/63/497502863.db2.gz IQMYEUMPRUJMCH-KRWDZBQOSA-N 0 3 368.506 3.419 10 30 FGEEHN CC[C@@H]1CN2CCC[C@@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000177184938 495967027 /nfs/dbraw/zinc/96/70/27/495967027.db2.gz FDAVHXBLIHAAJS-QZTJIDSGSA-N 0 3 364.493 3.296 10 30 FGEEHN C=CCN1CCC(NC(=O)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000171710301 495999229 /nfs/dbraw/zinc/99/92/29/495999229.db2.gz SKGRTPDTDQTQJF-CYBMUJFWSA-N 0 3 366.303 3.460 10 30 FGEEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000247008322 496750036 /nfs/dbraw/zinc/75/00/36/496750036.db2.gz HBKZKRKFBIAFAJ-DNVCBOLYSA-N 0 3 367.449 3.189 10 30 FGEEHN C=CCOc1ccccc1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190577279 497534240 /nfs/dbraw/zinc/53/42/40/497534240.db2.gz AKGMDOJGWPTBOT-IBGZPJMESA-N 0 3 365.477 3.241 10 30 FGEEHN C=CCOc1cccc(CN2CCC(N(C)CC(=O)OC(C)(C)C)CC2)c1 ZINC000190588781 497536298 /nfs/dbraw/zinc/53/62/98/497536298.db2.gz DBVVMODTPMRNNX-UHFFFAOYSA-N 0 3 374.525 3.489 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000190451802 257368464 /nfs/dbraw/zinc/36/84/64/257368464.db2.gz QDUHNAWAOGHPLB-INIZCTEOSA-N 0 3 369.494 3.309 10 30 FGEEHN N#Cc1ccc2ncc(CNC[C@@H]3CCCCN3Cc3ccccc3)n2c1 ZINC000123499365 495141899 /nfs/dbraw/zinc/14/18/99/495141899.db2.gz NMYHWSAEWAAFND-FQEVSTJZSA-N 0 3 359.477 3.350 10 30 FGEEHN C#CCN1CCC(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000129622989 495271851 /nfs/dbraw/zinc/27/18/51/495271851.db2.gz RHHHMMAPPRGXAT-LJQANCHMSA-N 0 3 352.478 3.284 10 30 FGEEHN Cc1nn(C)c(C)c1[C@H]1CCCN1CCC(=O)Nc1ccccc1C#N ZINC000106208052 495429967 /nfs/dbraw/zinc/42/99/67/495429967.db2.gz WFDIZQPTVIOATQ-GOSISDBHSA-N 0 3 351.454 3.074 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000173493503 495557789 /nfs/dbraw/zinc/55/77/89/495557789.db2.gz ZHRGEGZPQKPQDW-MRXNPFEDSA-N 0 3 362.543 3.381 10 30 FGEEHN Cc1oc(NC(=O)CN[C@@H](C)c2cccc(-n3ccnc3)c2)c(C#N)c1C ZINC000180645796 496084918 /nfs/dbraw/zinc/08/49/18/496084918.db2.gz GJCHMWZSKRHXQT-AWEZNQCLSA-N 0 3 363.421 3.243 10 30 FGEEHN COc1ccc(OC)c(-c2c(C#N)c(SC)nc3c2CN(C)CC3)c1 ZINC000040570089 205072925 /nfs/dbraw/zinc/07/29/25/205072925.db2.gz YAPXJWIGOBGJOB-UHFFFAOYSA-N 0 3 355.463 3.347 10 30 FGEEHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCCN(CC)C2)cc1 ZINC000056752836 494556419 /nfs/dbraw/zinc/55/64/19/494556419.db2.gz MBBQYANAZJSBNQ-IBGZPJMESA-N 0 3 370.497 3.107 10 30 FGEEHN CN(CCOc1ccc(C#N)cc1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106162529 495422470 /nfs/dbraw/zinc/42/24/70/495422470.db2.gz XWBYJPDKDIBLDY-LJQANCHMSA-N 0 3 371.506 3.004 10 30 FGEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)C(C)C ZINC000182359637 495533175 /nfs/dbraw/zinc/53/31/75/495533175.db2.gz QDZMPZXVWIYPLS-RBUKOAKNSA-N 0 3 359.518 3.345 10 30 FGEEHN C=CCN1CCC(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000178775432 496566915 /nfs/dbraw/zinc/56/69/15/496566915.db2.gz FKJVIUPQZHQTOM-INIZCTEOSA-N 0 3 355.404 3.110 10 30 FGEEHN C=CCN1CCC(Nc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000301247257 498019447 /nfs/dbraw/zinc/01/94/47/498019447.db2.gz QNHSZVJBOYKYMT-UHFFFAOYSA-N 0 3 353.426 3.423 10 30 FGEEHN C(#CCN1CC[C@H](Nc2ccccc2)C1)CN1CC[C@@H](Nc2ccccc2)C1 ZINC000225574270 206117613 /nfs/dbraw/zinc/11/76/13/206117613.db2.gz SQJFXMOBPXEXDV-PSWAGMNNSA-N 0 3 374.532 3.363 10 30 FGEEHN C=CCc1cc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)cc(OC)c1O ZINC000121943126 494895835 /nfs/dbraw/zinc/89/58/35/494895835.db2.gz HENSDNNNOLJQKW-QGZVFWFLSA-N 0 3 370.497 3.250 10 30 FGEEHN C=CCOc1ccc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1OC ZINC000121973182 494901500 /nfs/dbraw/zinc/90/15/00/494901500.db2.gz CIOFQRAUCAQCFJ-LJQANCHMSA-N 0 3 370.497 3.381 10 30 FGEEHN C#CCCOc1ccc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000121979535 494903207 /nfs/dbraw/zinc/90/32/07/494903207.db2.gz RKIHFMFGPVEDGD-FQEVSTJZSA-N 0 3 352.482 3.209 10 30 FGEEHN CC(=O)N[C@@H]1CCCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191451068 496766643 /nfs/dbraw/zinc/76/66/43/496766643.db2.gz DNOGFSXANOUGMC-JOCHJYFZSA-N 0 3 361.489 3.487 10 30 FGEEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000247357144 496842726 /nfs/dbraw/zinc/84/27/26/496842726.db2.gz OIHYFSVRBMWEFU-CRAIPNDOSA-N 0 3 367.449 3.189 10 30 FGEEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000245935726 497577085 /nfs/dbraw/zinc/57/70/85/497577085.db2.gz KWCTXMZUIBMAOK-DYVFJYSZSA-N 0 3 371.872 3.208 10 30 FGEEHN COc1ccc([C@@H]2[C@H](CNc3nnc(C)c(C)c3C#N)CCCN2C)cc1 ZINC000301307551 498049730 /nfs/dbraw/zinc/04/97/30/498049730.db2.gz VQNIZZFAXTUNGC-FXAWDEMLSA-N 0 3 365.481 3.469 10 30 FGEEHN C[C@@H]1CN(CCC2CCN(c3snc(Cl)c3C#N)CC2)C[C@H](C)O1 ZINC000301596765 498180797 /nfs/dbraw/zinc/18/07/97/498180797.db2.gz ZNZLGJGSBGPMMG-BETUJISGSA-N 0 3 368.934 3.384 10 30 FGEEHN C[C@@H]1CN(CC(C)(C)O)CCN1c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000302528550 498502031 /nfs/dbraw/zinc/50/20/31/498502031.db2.gz KQSFOFVYBQJICZ-CYBMUJFWSA-N 0 3 358.873 3.041 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000090561526 494482406 /nfs/dbraw/zinc/48/24/06/494482406.db2.gz JSNLEHWIIDBAOI-SFHVURJKSA-N 0 3 360.458 3.386 10 30 FGEEHN Cc1cnn([C@@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)c1 ZINC000180121116 495867727 /nfs/dbraw/zinc/86/77/27/495867727.db2.gz JTKHRNLIIPEXRG-HXUWFJFHSA-N 0 3 360.465 3.301 10 30 FGEEHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(-n2ccnc2)c1 ZINC000180672360 496097670 /nfs/dbraw/zinc/09/76/70/496097670.db2.gz ANLPWDCNRZXAJK-CVEARBPZSA-N 0 3 359.433 3.422 10 30 FGEEHN Cc1ccc(C#N)c(NCC2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000161240403 496135843 /nfs/dbraw/zinc/13/58/43/496135843.db2.gz PRXZUAORRPZSIP-HXUWFJFHSA-N 0 3 350.466 3.119 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000190518990 497514340 /nfs/dbraw/zinc/51/43/40/497514340.db2.gz ZFUNUOPZVVZVCN-CQSZACIVSA-N 0 3 372.469 3.056 10 30 FGEEHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H]1Cn1ccnc1C ZINC000245909648 497568474 /nfs/dbraw/zinc/56/84/74/497568474.db2.gz DACFZRSRVCZLII-SJLPKXTDSA-N 0 3 372.538 3.321 10 30 FGEEHN C=CCOc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1OC ZINC000029954374 493869990 /nfs/dbraw/zinc/86/99/90/493869990.db2.gz SBFCONAITZADLC-SFHVURJKSA-N 0 3 354.450 3.293 10 30 FGEEHN C=C(C)COc1cc(CN[C@H]2CCCN(c3cccnn3)C2)ccc1OC ZINC000109070684 494826802 /nfs/dbraw/zinc/82/68/02/494826802.db2.gz AMJBGWYLYSDXKF-SFHVURJKSA-N 0 3 368.481 3.199 10 30 FGEEHN Cc1nc(C)n(C[C@H]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)C2)n1 ZINC000121944102 494896220 /nfs/dbraw/zinc/89/62/20/494896220.db2.gz VDOUPJXHDGQKST-KXBFYZLASA-N 0 3 353.470 3.098 10 30 FGEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C(C)C ZINC000136899966 495408435 /nfs/dbraw/zinc/40/84/35/495408435.db2.gz ULJWQRYMRLZMLX-SBHAEUEKSA-N 0 3 363.546 3.022 10 30 FGEEHN C[C@@H](N[C@H](C)c1cccc(-n2ccnc2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000180666847 496095438 /nfs/dbraw/zinc/09/54/38/496095438.db2.gz QKJXWSGTHBEZHH-HZPDHXFCSA-N 0 3 359.433 3.422 10 30 FGEEHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000172542544 496335634 /nfs/dbraw/zinc/33/56/34/496335634.db2.gz IUZNMAQPCXYFAU-AWEZNQCLSA-N 0 3 354.372 3.190 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000195261491 496866408 /nfs/dbraw/zinc/86/64/08/496866408.db2.gz HTMVNGXHDVNMHX-SFHVURJKSA-N 0 3 370.522 3.156 10 30 FGEEHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CCCC[C@H]3n3cccn3)C2=O)cc1 ZINC000248744736 497096434 /nfs/dbraw/zinc/09/64/34/497096434.db2.gz MXCPYPFEXLECFJ-SLFFLAALSA-N 0 3 363.465 3.024 10 30 FGEEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000190499598 497506553 /nfs/dbraw/zinc/50/65/53/497506553.db2.gz VZTPPFLGNJYDGH-LJQANCHMSA-N 0 3 357.498 3.186 10 30 FGEEHN C=CCn1c(C(=O)NCCN2CCCC2)cc2oc(Br)cc21 ZINC000223728423 713570844 /nfs/dbraw/zinc/57/08/44/713570844.db2.gz BGBUOGSSHVQQFP-UHFFFAOYSA-N 0 3 366.259 3.008 10 30 FGEEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000113231382 495287072 /nfs/dbraw/zinc/28/70/72/495287072.db2.gz WWYWJRDWXKOWKU-DOTOQJQBSA-N 0 3 365.433 3.039 10 30 FGEEHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](Oc3cccnc3)C2)cc1Cl ZINC000154700798 495700348 /nfs/dbraw/zinc/70/03/48/495700348.db2.gz MYVPPRUHFJQVQT-QGZVFWFLSA-N 0 3 370.840 3.089 10 30 FGEEHN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000180024245 495827855 /nfs/dbraw/zinc/82/78/55/495827855.db2.gz CKLJDXXPNUMVKB-QAPCUYQASA-N 0 3 352.438 3.402 10 30 FGEEHN C=C[C@@](C)(CC)C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000188617571 496852926 /nfs/dbraw/zinc/85/29/26/496852926.db2.gz YRYRLIDPGZYHFT-IRLDBZIGSA-N 0 3 358.526 3.493 10 30 FGEEHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H]1Cn1ccnc1C ZINC000245909643 497568123 /nfs/dbraw/zinc/56/81/23/497568123.db2.gz DACFZRSRVCZLII-AEFFLSMTSA-N 0 3 372.538 3.321 10 30 FGEEHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000121942700 494896356 /nfs/dbraw/zinc/89/63/56/494896356.db2.gz REVLNIMGLSYCRX-HXUWFJFHSA-N 0 3 367.497 3.490 10 30 FGEEHN Cc1nn(C)c(C)c1[C@H]1CCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000106211726 495432518 /nfs/dbraw/zinc/43/25/18/495432518.db2.gz STNOWAMCSOOIPK-GOSISDBHSA-N 0 3 351.454 3.074 10 30 FGEEHN C=CC1CCN(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000173503881 495562369 /nfs/dbraw/zinc/56/23/69/495562369.db2.gz HOQVNCDDRYEDJO-OAQYLSRUSA-N 0 3 371.525 3.040 10 30 FGEEHN Cn1cc([C@@H]2CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000171412431 495863870 /nfs/dbraw/zinc/86/38/70/495863870.db2.gz PHVFWJWVXRZCNV-KRWDZBQOSA-N 0 3 357.845 3.111 10 30 FGEEHN C[C@@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000180663661 496093686 /nfs/dbraw/zinc/09/36/86/496093686.db2.gz OLWCUSUWXNJNOV-DLBZAZTESA-N 0 3 365.481 3.254 10 30 FGEEHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180663645 496093916 /nfs/dbraw/zinc/09/39/16/496093916.db2.gz OLWCUSUWXNJNOV-SJORKVTESA-N 0 3 365.481 3.254 10 30 FGEEHN CN(C)C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181421596 496388191 /nfs/dbraw/zinc/38/81/91/496388191.db2.gz ZSXGXWUTOLKIDW-QHCPKHFHSA-N 0 3 362.521 3.415 10 30 FGEEHN COc1cc(C#N)ccc1OCCN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000157744567 496543454 /nfs/dbraw/zinc/54/34/54/496543454.db2.gz ZJQUHRBZDPNQCJ-GOSISDBHSA-N 0 3 366.465 3.083 10 30 FGEEHN C[C@H](c1ccc(C#N)cc1)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191977738 496951396 /nfs/dbraw/zinc/95/13/96/496951396.db2.gz IFDJRONMZDTTLO-MRXNPFEDSA-N 0 3 357.498 3.357 10 30 FGEEHN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190507676 497508128 /nfs/dbraw/zinc/50/81/28/497508128.db2.gz AYBXLSYJCOYZGE-SFHVURJKSA-N 0 3 363.465 3.248 10 30 FGEEHN COc1ccc([C@H]2[C@H](CNc3nnc(C)c(C)c3C#N)CCCN2C)cc1 ZINC000301307552 498050184 /nfs/dbraw/zinc/05/01/84/498050184.db2.gz VQNIZZFAXTUNGC-PXNSSMCTSA-N 0 3 365.481 3.469 10 30 FGEEHN C#CCOC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036099026 518303961 /nfs/dbraw/zinc/30/39/61/518303961.db2.gz JMMIMLRQVDACAD-QFIPXVFZSA-N 0 3 355.453 3.455 10 30 FGEEHN C#CCOC[C@H](O)CN(Cc1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000036103993 494087975 /nfs/dbraw/zinc/08/79/75/494087975.db2.gz MITHRBTZINDNQO-JOCHJYFZSA-N 0 3 355.453 3.455 10 30 FGEEHN C#CCOC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000036103991 494088214 /nfs/dbraw/zinc/08/82/14/494088214.db2.gz MITHRBTZINDNQO-QFIPXVFZSA-N 0 3 355.453 3.455 10 30 FGEEHN C=CCc1cc(CN2CCC[C@H](Cc3noc(C)n3)C2)cc(OC)c1O ZINC000092813917 494762360 /nfs/dbraw/zinc/76/23/60/494762360.db2.gz FSBBZPCODPCHLU-OAHLLOKOSA-N 0 3 357.454 3.275 10 30 FGEEHN Cc1cccc(NC[C@@H]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n1 ZINC000173779780 495689742 /nfs/dbraw/zinc/68/97/42/495689742.db2.gz JHGVAXDGJAHPNE-KRWDZBQOSA-N 0 3 374.448 3.246 10 30 FGEEHN N#Cc1ccc(OCc2cccc(C(=O)N3CCN4CCC[C@H]4C3)c2)cc1 ZINC000172217438 496213250 /nfs/dbraw/zinc/21/32/50/496213250.db2.gz YSPVQRVZDSXFRA-FQEVSTJZSA-N 0 3 361.445 3.057 10 30 FGEEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1occc1COc1cccc(C#N)c1 ZINC000246966906 496738545 /nfs/dbraw/zinc/73/85/45/496738545.db2.gz DOAUESOLNOYBBP-QAPCUYQASA-N 0 3 365.433 3.039 10 30 FGEEHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247346352 496841987 /nfs/dbraw/zinc/84/19/87/496841987.db2.gz XWBBFMLKEDTYSR-ABSDTBQOSA-N 0 3 362.539 3.278 10 30 FGEEHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1ccc2c(c1)OCCO2 ZINC000195338288 496894157 /nfs/dbraw/zinc/89/41/57/496894157.db2.gz HWCVOLDCFTUZSD-LBPRGKRZSA-N 0 3 357.435 3.070 10 30 FGEEHN Cc1cccc(N(CCC#N)C(=O)CN2CCC(c3ccn[nH]3)CC2)c1C ZINC000195507210 496944163 /nfs/dbraw/zinc/94/41/63/496944163.db2.gz YXNAJVRPVKKYCK-UHFFFAOYSA-N 0 3 365.481 3.153 10 30 FGEEHN C=CCc1cc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cc(OC)c1O ZINC000190288637 497424880 /nfs/dbraw/zinc/42/48/80/497424880.db2.gz CWNLRLFIFRVCCX-ROUUACIJSA-N 0 3 359.491 3.399 10 30 FGEEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000190852923 497622802 /nfs/dbraw/zinc/62/28/02/497622802.db2.gz OXAKPLIMLLIWRA-HNNXBMFYSA-N 0 3 363.527 3.248 10 30 FGEEHN CC[C@H]1CN2CCC[C@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000246129912 497631001 /nfs/dbraw/zinc/63/10/01/497631001.db2.gz FDAVHXBLIHAAJS-ROUUACIJSA-N 0 3 364.493 3.296 10 30 FGEEHN C=CCOc1ccc(CN2CCC[C@@H](Cc3noc(C)n3)C2)cc1OC ZINC000092814051 494761239 /nfs/dbraw/zinc/76/12/39/494761239.db2.gz CDWGSCBCBIALST-INIZCTEOSA-N 0 3 357.454 3.406 10 30 FGEEHN CN(C)C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1 ZINC000047859945 494782602 /nfs/dbraw/zinc/78/26/02/494782602.db2.gz KGNQXNCNWDVBEX-LJQANCHMSA-N 0 3 353.491 3.211 10 30 FGEEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000105148290 495341008 /nfs/dbraw/zinc/34/10/08/495341008.db2.gz PYINHDAQKMAIFK-GOSISDBHSA-N 0 3 372.513 3.087 10 30 FGEEHN C[C@@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000180666826 496095838 /nfs/dbraw/zinc/09/58/38/496095838.db2.gz QKJXWSGTHBEZHH-JKSUJKDBSA-N 0 3 359.433 3.422 10 30 FGEEHN C=C(C)C[C@@H](C)C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000184430145 496380124 /nfs/dbraw/zinc/38/01/24/496380124.db2.gz BXFUTRIJGKHXLF-NQIIRXRSSA-N 0 3 358.526 3.493 10 30 FGEEHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000157995965 496603673 /nfs/dbraw/zinc/60/36/73/496603673.db2.gz JSJWKYQRJAAKQK-KRWDZBQOSA-N 0 3 354.454 3.133 10 30 FGEEHN C=C(C)COc1cc(CN[C@@H]2CCc3nnc(C(C)C)n3C2)ccc1OC ZINC000195404900 496914985 /nfs/dbraw/zinc/91/49/85/496914985.db2.gz XRXGXYAJTUGCFN-QGZVFWFLSA-N 0 3 370.497 3.470 10 30 FGEEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000245464439 497420854 /nfs/dbraw/zinc/42/08/54/497420854.db2.gz HWBMHMPSXPLJNK-SJORKVTESA-N 0 3 374.554 3.293 10 30 FGEEHN CCN1CCC[C@H]1CN(C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000245466853 497420866 /nfs/dbraw/zinc/42/08/66/497420866.db2.gz JONYZYYJTBWVEB-SJORKVTESA-N 0 3 374.554 3.435 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000190462311 497487953 /nfs/dbraw/zinc/48/79/53/497487953.db2.gz RMYOJAAKSBDUQJ-MRXNPFEDSA-N 0 3 358.486 3.416 10 30 FGEEHN C[C@@]12CC[C@@H]3[C@H](CC(=O)[C@@H]4C/C(=N/OCCN)CC[C@]43C)[C@H]1CCC2=O ZINC000669678885 571212389 /nfs/dbraw/zinc/21/23/89/571212389.db2.gz MPYLDWFDPHRTEG-DLSRREHMSA-N 0 3 360.498 3.109 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000190451822 257368594 /nfs/dbraw/zinc/36/85/94/257368594.db2.gz QDUHNAWAOGHPLB-MRXNPFEDSA-N 0 3 369.494 3.309 10 30 FGEEHN C=CCc1cc(CN2CC[C@H](CNc3ccccn3)C2)cc(OC)c1O ZINC000092812584 494758036 /nfs/dbraw/zinc/75/80/36/494758036.db2.gz KFVHZQZKIROZAW-MRXNPFEDSA-N 0 3 353.466 3.458 10 30 FGEEHN Cc1ccc(N2CCCN(Cc3cccc(OCCCC#N)c3)CC2)nn1 ZINC000093271740 494854694 /nfs/dbraw/zinc/85/46/94/494854694.db2.gz VJBLXBMSOYTHBD-UHFFFAOYSA-N 0 3 365.481 3.180 10 30 FGEEHN C#CCCOc1ccc(CN2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000121979231 494903131 /nfs/dbraw/zinc/90/31/31/494903131.db2.gz RKIHFMFGPVEDGD-HXUWFJFHSA-N 0 3 352.482 3.209 10 30 FGEEHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(N(C)CCC#N)cc3)C2)n1 ZINC000121992216 494904839 /nfs/dbraw/zinc/90/48/39/494904839.db2.gz MQOJBPGAPPAEEU-HXUWFJFHSA-N 0 3 366.513 3.157 10 30 FGEEHN N#CC1(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)CCCCC1 ZINC000115158193 495469082 /nfs/dbraw/zinc/46/90/82/495469082.db2.gz XPUNARYLCJCQHN-HXUWFJFHSA-N 0 3 369.509 3.022 10 30 FGEEHN CC(C)c1nnc2n1C[C@H](NCc1cccc(OCCCC#N)c1)CC2 ZINC000171246741 495787245 /nfs/dbraw/zinc/78/72/45/495787245.db2.gz BLKNKRSOIQAOPM-QGZVFWFLSA-N 0 3 353.470 3.189 10 30 FGEEHN N#Cc1ccccc1COc1cccc(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000195337545 496894317 /nfs/dbraw/zinc/89/43/17/496894317.db2.gz MUAYLJCIDIBVKL-HXUWFJFHSA-N 0 3 361.445 3.057 10 30 FGEEHN C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4CC(=NOCCN)CC[C@@]43C)[C@@H]1CCC2=O ZINC000256309945 497382702 /nfs/dbraw/zinc/38/27/02/497382702.db2.gz MPYLDWFDPHRTEG-IFVNMTGRSA-N 0 3 360.498 3.109 10 30 FGEEHN COc1ccc([C@@H]2[C@@H](CNc3nnc(C)c(C)c3C#N)CCCN2C)cc1 ZINC000301307554 498049789 /nfs/dbraw/zinc/04/97/89/498049789.db2.gz VQNIZZFAXTUNGC-YLJYHZDGSA-N 0 3 365.481 3.469 10 30 FGEEHN CCOC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CN(C)CC2 ZINC000040570087 208257206 /nfs/dbraw/zinc/25/72/06/208257206.db2.gz GNYMMDYQFOIGKC-UHFFFAOYSA-N 0 3 367.474 3.263 10 30 FGEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000122451150 494977317 /nfs/dbraw/zinc/97/73/17/494977317.db2.gz HJHMWLJYIDSIQN-RISCZKNCSA-N 0 3 352.385 3.010 10 30 FGEEHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H]1Cn1ccnc1C ZINC000154576303 495659022 /nfs/dbraw/zinc/65/90/22/495659022.db2.gz DACFZRSRVCZLII-WMZOPIPTSA-N 0 3 372.538 3.321 10 30 FGEEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000176988511 495873027 /nfs/dbraw/zinc/87/30/27/495873027.db2.gz ZUFGOEURNIVVHC-KRWDZBQOSA-N 0 3 367.449 3.287 10 30 FGEEHN N#CCCn1cc(C(=O)CN2CCC(c3ccn[nH]3)CC2)c2ccccc21 ZINC000171639857 495960441 /nfs/dbraw/zinc/96/04/41/495960441.db2.gz XMLZSKXTZJBKTC-UHFFFAOYSA-N 0 3 361.449 3.340 10 30 FGEEHN C[C@@H](N[C@H](C)c1cccc(-n2ccnc2)c1)C(=O)Nc1ccccc1C#N ZINC000180672389 496098574 /nfs/dbraw/zinc/09/85/74/496098574.db2.gz ANLPWDCNRZXAJK-HZPDHXFCSA-N 0 3 359.433 3.422 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000176154351 496707222 /nfs/dbraw/zinc/70/72/22/496707222.db2.gz JSNLEHWIIDBAOI-GOSISDBHSA-N 0 3 360.458 3.386 10 30 FGEEHN CC(=O)N[C@H]1CCCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191451081 496767042 /nfs/dbraw/zinc/76/70/42/496767042.db2.gz DNOGFSXANOUGMC-QFIPXVFZSA-N 0 3 361.489 3.487 10 30 FGEEHN CCN(CC)CC#CCOC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000029406790 493837426 /nfs/dbraw/zinc/83/74/26/493837426.db2.gz DRBYLMLUURMIDQ-AWEZNQCLSA-N 0 3 352.272 3.441 10 30 FGEEHN COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccc(C#N)c2)C3)cc1 ZINC000096269255 495008589 /nfs/dbraw/zinc/00/85/89/495008589.db2.gz OYOORQODHPBDSJ-FQEVSTJZSA-N 0 3 374.444 3.119 10 30 FGEEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1CCC(=O)Nc1ccccc1C#N ZINC000106208050 495429999 /nfs/dbraw/zinc/42/99/99/495429999.db2.gz WFDIZQPTVIOATQ-SFHVURJKSA-N 0 3 351.454 3.074 10 30 FGEEHN Cn1cc([C@H]2CCCN2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000171412435 495864645 /nfs/dbraw/zinc/86/46/45/495864645.db2.gz PHVFWJWVXRZCNV-QGZVFWFLSA-N 0 3 357.845 3.111 10 30 FGEEHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CCN1Cc1ccccc1 ZINC000302709704 498540621 /nfs/dbraw/zinc/54/06/21/498540621.db2.gz HSZJDXXKJIGOFL-GDBMZVCRSA-N 0 3 351.410 3.326 10 30 FGEEHN N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000065201920 494178963 /nfs/dbraw/zinc/17/89/63/494178963.db2.gz XZEIWPGNWOKMTM-KRWDZBQOSA-N 0 3 351.410 3.328 10 30 FGEEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000176343122 495609735 /nfs/dbraw/zinc/60/97/35/495609735.db2.gz OLMWBURXUAMCIT-CYBMUJFWSA-N 0 3 352.385 3.108 10 30 FGEEHN Cc1nccn1C[C@H]1CCCN1Cc1cc(C#N)ccc1Br ZINC000191805046 496896940 /nfs/dbraw/zinc/89/69/40/496896940.db2.gz HLCQXOMOXTYQLG-MRXNPFEDSA-N 0 3 359.271 3.490 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000190442566 497482549 /nfs/dbraw/zinc/48/25/49/497482549.db2.gz XFIVHUIPGYFLJD-INIZCTEOSA-N 0 3 369.494 3.309 10 30 FGEEHN C=CCN(C1=NCCN1)c1c(Br)cccc1Br ZINC000028228607 210244090 /nfs/dbraw/zinc/24/40/90/210244090.db2.gz FOEDZLPEXQVCIO-UHFFFAOYSA-N 0 3 359.065 3.163 10 30 FGEEHN C=CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1OC)C2 ZINC000014958454 210146350 /nfs/dbraw/zinc/14/63/50/210146350.db2.gz OXNTVVMQXVUVHB-NRFANRHFSA-N 0 3 358.482 3.094 10 30 FGEEHN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCNCC3)o2)o1 ZINC000040165768 494138485 /nfs/dbraw/zinc/13/84/85/494138485.db2.gz OWSSBKMVLGNVLS-UHFFFAOYSA-N 0 3 364.405 3.103 10 30 FGEEHN CCN1CCC[C@@H]1CN(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000176187350 495537561 /nfs/dbraw/zinc/53/75/61/495537561.db2.gz IWMRKABZKUTHCC-QGZVFWFLSA-N 0 3 367.415 3.183 10 30 FGEEHN C[C@H](NCC(=O)Nc1sccc1C#N)c1cccc(-n2ccnc2)c1 ZINC000180647202 496085652 /nfs/dbraw/zinc/08/56/52/496085652.db2.gz PMICWFYRMBSCIW-ZDUSSCGKSA-N 0 3 351.435 3.095 10 30 FGEEHN CN(C)C[C@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC000188718089 496886355 /nfs/dbraw/zinc/88/63/55/496886355.db2.gz LVMKZTUXMKCHHK-KRWDZBQOSA-N 0 3 367.453 3.189 10 30 FGEEHN CN1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(C#N)ccc54)cc3c2)CC1 ZINC000255004215 497355345 /nfs/dbraw/zinc/35/53/45/497355345.db2.gz UHYLWDQJWOODJB-UHFFFAOYSA-N 0 3 370.460 3.330 10 30 FGEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000190492875 497502316 /nfs/dbraw/zinc/50/23/16/497502316.db2.gz PTIXMZFVDMUSQO-LJQANCHMSA-N 0 3 363.465 3.133 10 30 FGEEHN CC[C@@H]1CN2CCC[C@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000246129896 497631563 /nfs/dbraw/zinc/63/15/63/497631563.db2.gz FDAVHXBLIHAAJS-MSOLQXFVSA-N 0 3 364.493 3.296 10 30 FGEEHN C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1ccccc1Cl)C2 ZINC000014745637 519286978 /nfs/dbraw/zinc/28/69/78/519286978.db2.gz HIRHUMJCISDBPW-OAHLLOKOSA-N 0 3 372.900 3.071 10 30 FGEEHN C=CCOc1ccc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cc1OC ZINC000120220849 495330692 /nfs/dbraw/zinc/33/06/92/495330692.db2.gz FAZMNFLNISIADB-GOSISDBHSA-N 0 3 368.481 3.151 10 30 FGEEHN C=CC1CCN(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)CC1 ZINC000173503870 495562229 /nfs/dbraw/zinc/56/22/29/495562229.db2.gz HOQVNCDDRYEDJO-NRFANRHFSA-N 0 3 371.525 3.040 10 30 FGEEHN COc1ccc([C@@H](CNc2cc(C)nc(C)c2C#N)N(C)C)cc1OC ZINC000160438866 495963687 /nfs/dbraw/zinc/96/36/87/495963687.db2.gz ONNWXUMUVLKKJY-GOSISDBHSA-N 0 3 354.454 3.302 10 30 FGEEHN Cc1ccc(C#N)c(NCC2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000161240290 496135745 /nfs/dbraw/zinc/13/57/45/496135745.db2.gz PRXZUAORRPZSIP-FQEVSTJZSA-N 0 3 350.466 3.119 10 30 FGEEHN CN(C)C[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000193051161 497287322 /nfs/dbraw/zinc/28/73/22/497287322.db2.gz COKRZHRZEUUZPK-JOCHJYFZSA-N 0 3 363.505 3.149 10 30 FGEEHN C=CCOc1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1OC ZINC000029954376 210165393 /nfs/dbraw/zinc/16/53/93/210165393.db2.gz SBFCONAITZADLC-GOSISDBHSA-N 0 3 354.450 3.293 10 30 FGEEHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccs1 ZINC000043289974 494284066 /nfs/dbraw/zinc/28/40/66/494284066.db2.gz VAWIUEMEDUTKAV-OAHLLOKOSA-N 0 3 356.495 3.454 10 30 FGEEHN CN(c1cccnn1)C1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000093272517 494854472 /nfs/dbraw/zinc/85/44/72/494854472.db2.gz JZAABUAGILIOLZ-UHFFFAOYSA-N 0 3 365.481 3.260 10 30 FGEEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1CCC(=O)Nc1sccc1C#N ZINC000106210891 495431841 /nfs/dbraw/zinc/43/18/41/495431841.db2.gz VJTXWBNGOWQPQP-HNNXBMFYSA-N 0 3 357.483 3.136 10 30 FGEEHN CN(C)C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181421612 496388817 /nfs/dbraw/zinc/38/88/17/496388817.db2.gz ZSXGXWUTOLKIDW-HSZRJFAPSA-N 0 3 362.521 3.415 10 30 FGEEHN CCc1nccn1[C@H]1CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000157998917 496604870 /nfs/dbraw/zinc/60/48/70/496604870.db2.gz HUSJTKBKRWDXPF-KRWDZBQOSA-N 0 3 354.454 3.042 10 30 FGEEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000190499872 497505802 /nfs/dbraw/zinc/50/58/02/497505802.db2.gz BFIITZXNGFZAOH-IBGZPJMESA-N 0 3 357.498 3.186 10 30 FGEEHN Cc1cccc(NC[C@H]2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000246208618 497661923 /nfs/dbraw/zinc/66/19/23/497661923.db2.gz YTFXXRFZDYJRPW-SJLPKXTDSA-N 0 3 363.465 3.023 10 30 FGEEHN CCN1CCC[C@@H]1CN(Cc1ccncc1)c1ccc(Cl)c(C#N)n1 ZINC000301596346 498179295 /nfs/dbraw/zinc/17/92/95/498179295.db2.gz ZJHLWLZUGLRZRD-MRXNPFEDSA-N 0 3 355.873 3.493 10 30 FGEEHN CCN1CCN(Cc2ccc(CNc3cc(C)nc(C)c3C#N)cc2)CC1 ZINC000301760333 498254356 /nfs/dbraw/zinc/25/43/56/498254356.db2.gz FPUDAWPPUCKEOK-UHFFFAOYSA-N 0 3 363.509 3.320 10 30 FGEEHN C[C@@H]1CN(CC2CCN(c3cc(C#N)nc4ccccc43)CC2)C[C@@H](C)O1 ZINC000091478400 494606735 /nfs/dbraw/zinc/60/67/35/494606735.db2.gz LWASXYFVCDBTFH-IAGOWNOFSA-N 0 3 364.493 3.432 10 30 FGEEHN COc1ccc(CN2CCC(Cn3cccn3)CC2)cc1OCCCC#N ZINC000122114455 494926572 /nfs/dbraw/zinc/92/65/72/494926572.db2.gz WPLBNPBTFVSVTQ-UHFFFAOYSA-N 0 3 368.481 3.486 10 30 FGEEHN COc1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1OCCCC#N ZINC000128524288 495111130 /nfs/dbraw/zinc/11/11/30/495111130.db2.gz AXENEEFKKQVKNV-KRWDZBQOSA-N 0 3 354.454 3.101 10 30 FGEEHN CN(C)[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000170855993 495629430 /nfs/dbraw/zinc/62/94/30/495629430.db2.gz AOTNGMSWRIWJSH-INIZCTEOSA-N 0 3 351.475 3.486 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000176498460 495674377 /nfs/dbraw/zinc/67/43/77/495674377.db2.gz ZJJOUKRBDWBRJH-QGZVFWFLSA-N 0 3 367.497 3.273 10 30 FGEEHN Cc1oc(NC(=O)CN[C@H](C)c2cccc(-n3ccnc3)c2)c(C#N)c1C ZINC000180645813 496084457 /nfs/dbraw/zinc/08/44/57/496084457.db2.gz GJCHMWZSKRHXQT-CQSZACIVSA-N 0 3 363.421 3.243 10 30 FGEEHN C[C@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)Nc1ccccc1C#N ZINC000180672342 496097745 /nfs/dbraw/zinc/09/77/45/496097745.db2.gz ANLPWDCNRZXAJK-HOTGVXAUSA-N 0 3 359.433 3.422 10 30 FGEEHN C=C[C@@](C)(CC)C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188617522 496852665 /nfs/dbraw/zinc/85/26/65/496852665.db2.gz YRYRLIDPGZYHFT-UNMCSNQZSA-N 0 3 358.526 3.493 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000195262545 496866934 /nfs/dbraw/zinc/86/69/34/496866934.db2.gz JKPJOJROQZFKSI-INIZCTEOSA-N 0 3 358.486 3.416 10 30 FGEEHN CC[C@H](CC#N)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000249299562 497188936 /nfs/dbraw/zinc/18/89/36/497188936.db2.gz LJCQKPIGWOOOFW-BZUAXINKSA-N 0 3 353.388 3.105 10 30 FGEEHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CCN1Cc1ccccc1 ZINC000302709706 498541195 /nfs/dbraw/zinc/54/11/95/498541195.db2.gz HSZJDXXKJIGOFL-GOEBONIOSA-N 0 3 351.410 3.326 10 30 FGEEHN N#Cc1c(Cl)cccc1O[C@H]1CCc2ccc(N3CCNCC3)nc21 ZINC000584655564 507436957 /nfs/dbraw/zinc/43/69/57/507436957.db2.gz IIPZMSIDLILHEW-KRWDZBQOSA-N 0 3 354.841 3.083 10 30 FGEEHN N=C(N)NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000006452151 527124280 /nfs/dbraw/zinc/12/42/80/527124280.db2.gz VYPZWWVRCGDIMK-AFUMVMLFSA-N 0 3 374.444 3.452 10 30 FGEEHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000174704523 496069362 /nfs/dbraw/zinc/06/93/62/496069362.db2.gz GBAMYVPGBHVJRZ-AWEZNQCLSA-N 0 3 351.406 3.009 10 30 FGEEHN CCn1cc(C2CCN(CCOc3ccc(C#N)cc3OC)CC2)cn1 ZINC000157730190 496540844 /nfs/dbraw/zinc/54/08/44/496540844.db2.gz ONPOWRKOBKUPRY-UHFFFAOYSA-N 0 3 354.454 3.042 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2ccc(F)cc2C#N)C1 ZINC000195266099 496868987 /nfs/dbraw/zinc/86/89/87/496868987.db2.gz FVVWKHJSYHUPGQ-HNNXBMFYSA-N 0 3 358.486 3.416 10 30 FGEEHN CC(=O)N[C@@]1(c2noc(C)n2)CCN(c2ccnc3ccc(C)cc32)C1 ZINC000328610905 498874781 /nfs/dbraw/zinc/87/47/81/498874781.db2.gz JOUXBLDYQKUKNJ-IBGZPJMESA-N 0 3 351.410 3.317 10 30 FGEEHN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)O1 ZINC000121515014 700673919 /nfs/dbraw/zinc/67/39/19/700673919.db2.gz IMTAPRZARWEWER-WQAKAFBOSA-N 0 3 354.378 3.216 10 30 FGEEHN C[C@H]1CN(CC2CCN(c3cc(C#N)nc4ccccc43)CC2)C[C@H](C)O1 ZINC000091478395 494606380 /nfs/dbraw/zinc/60/63/80/494606380.db2.gz LWASXYFVCDBTFH-IRXDYDNUSA-N 0 3 364.493 3.432 10 30 FGEEHN C=CCOc1ccc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)cc1OC ZINC000121973386 494901449 /nfs/dbraw/zinc/90/14/49/494901449.db2.gz CIOFQRAUCAQCFJ-IBGZPJMESA-N 0 3 370.497 3.381 10 30 FGEEHN C=C(C)COc1cc(CN2CCC[C@@H](Cn3cncn3)C2)ccc1OC ZINC000128468521 495101646 /nfs/dbraw/zinc/10/16/46/495101646.db2.gz TZQRVZXQLZVRRT-GOSISDBHSA-N 0 3 356.470 3.154 10 30 FGEEHN N#Cc1ccc(NC(=O)CCN2CCC(c3cc[nH]n3)CC2)cc1Cl ZINC000103473452 495237390 /nfs/dbraw/zinc/23/73/90/495237390.db2.gz GWXTUYFBULTTOT-UHFFFAOYSA-N 0 3 357.845 3.143 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000106261122 495440696 /nfs/dbraw/zinc/44/06/96/495440696.db2.gz OMVGDJNTTMEZCX-HNNXBMFYSA-N 0 3 361.486 3.105 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000106261124 495441235 /nfs/dbraw/zinc/44/12/35/495441235.db2.gz OMVGDJNTTMEZCX-OAHLLOKOSA-N 0 3 361.486 3.105 10 30 FGEEHN C[C@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000180663627 496094149 /nfs/dbraw/zinc/09/41/49/496094149.db2.gz OLWCUSUWXNJNOV-IRXDYDNUSA-N 0 3 365.481 3.254 10 30 FGEEHN CCN1CCC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000172216986 496213223 /nfs/dbraw/zinc/21/32/23/496213223.db2.gz JBXWNWLKCIWWPJ-FQEVSTJZSA-N 0 3 363.461 3.351 10 30 FGEEHN C=CCC1(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)CCC1 ZINC000188498456 496810859 /nfs/dbraw/zinc/81/08/59/496810859.db2.gz CMIKXRSIBBYBSL-FQEVSTJZSA-N 0 3 356.510 3.295 10 30 FGEEHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(c2ccn[nH]2)CC1 ZINC000195505575 496944230 /nfs/dbraw/zinc/94/42/30/496944230.db2.gz CZVZBKFJHSKFHI-GFCCVEGCSA-N 0 3 357.845 3.141 10 30 FGEEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1occc1COc1cccc(C#N)c1 ZINC000113227266 495285734 /nfs/dbraw/zinc/28/57/34/495285734.db2.gz DOAUESOLNOYBBP-CRAIPNDOSA-N 0 3 365.433 3.039 10 30 FGEEHN N#Cc1ccc(NC(=O)CCN2CCCC[C@H]2c2cn[nH]c2)cc1Cl ZINC000114201739 495354226 /nfs/dbraw/zinc/35/42/26/495354226.db2.gz AFKRQNBREXDBRJ-KRWDZBQOSA-N 0 3 357.845 3.491 10 30 FGEEHN CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000177126608 495937619 /nfs/dbraw/zinc/93/76/19/495937619.db2.gz MSGVRPIYWHEXGI-GOSISDBHSA-N 0 3 374.410 3.448 10 30 FGEEHN C[C@@H](NCC(=O)Nc1sccc1C#N)c1cccc(-n2ccnc2)c1 ZINC000180647220 496085385 /nfs/dbraw/zinc/08/53/85/496085385.db2.gz PMICWFYRMBSCIW-CYBMUJFWSA-N 0 3 351.435 3.095 10 30 FGEEHN N#Cc1ccnc(NC[C@H]2CCCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000301617929 498190511 /nfs/dbraw/zinc/19/05/11/498190511.db2.gz CQGXJHGSXSKIIG-QGZVFWFLSA-N 0 3 351.410 3.328 10 30 FGEEHN C=CCC[C@H](CN1CCCOCC1)Oc1ccc(CN2CCCC2)cn1 ZINC000072435615 494174862 /nfs/dbraw/zinc/17/48/62/494174862.db2.gz BOIQHYAOABMYDT-HXUWFJFHSA-N 0 3 359.514 3.113 10 30 FGEEHN CCN1CCC[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000055323090 494327260 /nfs/dbraw/zinc/32/72/60/494327260.db2.gz IDRJUDTUBXZOIA-FQEVSTJZSA-N 0 3 363.461 3.351 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000074130089 494485870 /nfs/dbraw/zinc/48/58/70/494485870.db2.gz WLKJEWQQHSMFDY-NHCUHLMSSA-N 0 3 371.525 3.325 10 30 FGEEHN C=CCCCN(C)C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173500553 495561004 /nfs/dbraw/zinc/56/10/04/495561004.db2.gz ZMCURSUNWCRTLD-FQEVSTJZSA-N 0 3 359.514 3.040 10 30 FGEEHN Cc1cnn([C@H]2CCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)c1 ZINC000180121135 495867651 /nfs/dbraw/zinc/86/76/51/495867651.db2.gz JTKHRNLIIPEXRG-FQEVSTJZSA-N 0 3 360.465 3.301 10 30 FGEEHN COc1ccc([C@H](C)NCCC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000180866199 496176842 /nfs/dbraw/zinc/17/68/42/496176842.db2.gz OMHWDJFTVUEKHV-AWEZNQCLSA-N 0 3 353.422 3.255 10 30 FGEEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(C#N)cc1Br ZINC000181136689 496283000 /nfs/dbraw/zinc/28/30/00/496283000.db2.gz VNUVPYCYQIDHQX-INIZCTEOSA-N 0 3 359.271 3.490 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000195267190 496869828 /nfs/dbraw/zinc/86/98/28/496869828.db2.gz OLYQJIDKGGHMKM-SFHVURJKSA-N 0 3 357.498 3.396 10 30 FGEEHN C[C@@H](c1cccc(C#N)c1)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191980123 496952006 /nfs/dbraw/zinc/95/20/06/496952006.db2.gz WDOGQSFHQKUJRU-INIZCTEOSA-N 0 3 357.498 3.357 10 30 FGEEHN N#Cc1ccccc1OCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379699407 499542927 /nfs/dbraw/zinc/54/29/27/499542927.db2.gz PRGBQCUBZVQRON-HXUWFJFHSA-N 0 3 363.461 3.108 10 30 FGEEHN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000041520606 695763276 /nfs/dbraw/zinc/76/32/76/695763276.db2.gz LTXXUPAMTAIHEM-MAZHCROVSA-N 0 3 355.463 3.473 10 30 FGEEHN Cn1cc([C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)C2)cn1 ZINC000128377460 495087590 /nfs/dbraw/zinc/08/75/90/495087590.db2.gz SEHACKUEFFRDGR-SFHVURJKSA-N 0 3 360.465 3.187 10 30 FGEEHN CN(CCOc1cccc(C#N)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160510 495420955 /nfs/dbraw/zinc/42/09/55/495420955.db2.gz READNHOQYSBHAC-IBGZPJMESA-N 0 3 371.506 3.004 10 30 FGEEHN CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000177126624 495937025 /nfs/dbraw/zinc/93/70/25/495937025.db2.gz MSGVRPIYWHEXGI-SFHVURJKSA-N 0 3 374.410 3.448 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000195268334 496869303 /nfs/dbraw/zinc/86/93/03/496869303.db2.gz QXKWWYUCWQQUTE-SFHVURJKSA-N 0 3 370.522 3.156 10 30 FGEEHN C(#CCN1CC[C@H](Nc2ccccc2)C1)CN1CC[C@H](Nc2ccccc2)C1 ZINC000225574298 497067537 /nfs/dbraw/zinc/06/75/37/497067537.db2.gz SQJFXMOBPXEXDV-ZEQRLZLVSA-N 0 3 374.532 3.363 10 30 FGEEHN COc1ccc([C@H]2[C@@H](CNc3nnc(C)c(C)c3C#N)CCCN2C)cc1 ZINC000301307553 498050252 /nfs/dbraw/zinc/05/02/52/498050252.db2.gz VQNIZZFAXTUNGC-XLIONFOSSA-N 0 3 365.481 3.469 10 30 FGEEHN C=CCOc1cccc(CN2CCCN(Cc3cnn(CC)c3)CC2)c1 ZINC000121619585 494822141 /nfs/dbraw/zinc/82/21/41/494822141.db2.gz WYTIQBHLSWTAMV-UHFFFAOYSA-N 0 3 354.498 3.176 10 30 FGEEHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000171710299 495999501 /nfs/dbraw/zinc/99/95/01/495999501.db2.gz SKGRTPDTDQTQJF-ZDUSSCGKSA-N 0 3 366.303 3.460 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000195261027 496866527 /nfs/dbraw/zinc/86/65/27/496866527.db2.gz MNLWCPFWLDTXRQ-INIZCTEOSA-N 0 3 358.486 3.416 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000195262559 496866766 /nfs/dbraw/zinc/86/67/66/496866766.db2.gz JKPJOJROQZFKSI-MRXNPFEDSA-N 0 3 358.486 3.416 10 30 FGEEHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(c3ccn[nH]3)CC2)c1 ZINC000195506604 496945617 /nfs/dbraw/zinc/94/56/17/496945617.db2.gz NGLYHOQXHDAZPJ-UHFFFAOYSA-N 0 3 365.481 3.153 10 30 FGEEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000190852500 497622869 /nfs/dbraw/zinc/62/28/69/497622869.db2.gz CIQQLEMRWIGYCO-MRXNPFEDSA-N 0 3 363.527 3.248 10 30 FGEEHN CCN1CCC[C@H]1CN(Cc1ccncc1)c1ccc(Cl)c(C#N)n1 ZINC000301596345 498179211 /nfs/dbraw/zinc/17/92/11/498179211.db2.gz ZJHLWLZUGLRZRD-INIZCTEOSA-N 0 3 355.873 3.493 10 30 FGEEHN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000248760697 713658394 /nfs/dbraw/zinc/65/83/94/713658394.db2.gz LTXXUPAMTAIHEM-RCBQFDQVSA-N 0 3 355.463 3.473 10 30 FGEEHN C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCCCC1)C2 ZINC000014746609 220132849 /nfs/dbraw/zinc/13/28/49/220132849.db2.gz JHIARDLIIAJGFB-GOSISDBHSA-N 0 3 370.541 3.429 10 30 FGEEHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccs1 ZINC000043289972 494284087 /nfs/dbraw/zinc/28/40/87/494284087.db2.gz VAWIUEMEDUTKAV-HNNXBMFYSA-N 0 3 356.495 3.454 10 30 FGEEHN C[C@@H]1CN(CC2CCN(c3cc(C#N)nc4ccccc43)CC2)C[C@H](C)O1 ZINC000091478392 494607295 /nfs/dbraw/zinc/60/72/95/494607295.db2.gz LWASXYFVCDBTFH-CALCHBBNSA-N 0 3 364.493 3.432 10 30 FGEEHN C=C(C)COc1cc(CN[C@@H]2CCCN(c3cccnn3)C2)ccc1OC ZINC000109070681 494826854 /nfs/dbraw/zinc/82/68/54/494826854.db2.gz AMJBGWYLYSDXKF-GOSISDBHSA-N 0 3 368.481 3.199 10 30 FGEEHN CC(C)N1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C1 ZINC000122451356 494977863 /nfs/dbraw/zinc/97/78/63/494977863.db2.gz HJHMWLJYIDSIQN-FZMZJTMJSA-N 0 3 352.385 3.010 10 30 FGEEHN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000180024272 495827178 /nfs/dbraw/zinc/82/71/78/495827178.db2.gz CKLJDXXPNUMVKB-CRAIPNDOSA-N 0 3 352.438 3.402 10 30 FGEEHN CC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCN1CCOC ZINC000177132103 495940569 /nfs/dbraw/zinc/94/05/69/495940569.db2.gz ZPRNMANPPKQRJS-GOSISDBHSA-N 0 3 354.416 3.100 10 30 FGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)CC1 ZINC000177501637 496087694 /nfs/dbraw/zinc/08/76/94/496087694.db2.gz NGIXVFJOTAMQER-MRXNPFEDSA-N 0 3 361.490 3.080 10 30 FGEEHN C=C(C)COc1cc(CN[C@H]2CCc3nnc(C(C)C)n3C2)ccc1OC ZINC000195404906 496914428 /nfs/dbraw/zinc/91/44/28/496914428.db2.gz XRXGXYAJTUGCFN-KRWDZBQOSA-N 0 3 370.497 3.470 10 30 FGEEHN CCN1CCN(Cc2ccccc2CNc2cc(C)nc(C)c2C#N)CC1 ZINC000301800882 498271037 /nfs/dbraw/zinc/27/10/37/498271037.db2.gz VYAOUGHKHFHGTN-UHFFFAOYSA-N 0 3 363.509 3.320 10 30 FGEEHN CCN1CCC[C@@H](CN(C)Cc2cc(F)ccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000328628481 498880922 /nfs/dbraw/zinc/88/09/22/498880922.db2.gz HHWQFXXEQJSPFQ-LAUBAEHRSA-N 0 3 369.488 3.336 10 30 FGEEHN COc1ccc(N=C(Nc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 ZINC000005738485 219696562 /nfs/dbraw/zinc/69/65/62/219696562.db2.gz AEJOFELPNDWFAJ-UHFFFAOYSA-N 0 3 356.382 3.035 10 30 FGEEHN N#CC1CCN(C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000057880204 493811713 /nfs/dbraw/zinc/81/17/13/493811713.db2.gz PZBONEYCQDFXSU-NRFANRHFSA-N 0 3 350.462 3.389 10 30 FGEEHN C=CCC(CC=C)C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000151056653 495724734 /nfs/dbraw/zinc/72/47/34/495724734.db2.gz SVIBBTCCQFHGKL-OAQYLSRUSA-N 0 3 356.510 3.317 10 30 FGEEHN CCn1cc(C2CCN(CCC(=O)Nc3sccc3C#N)CC2)cn1 ZINC000160463071 495969009 /nfs/dbraw/zinc/96/90/09/495969009.db2.gz XFNMMVMMIAIBCE-UHFFFAOYSA-N 0 3 357.483 3.044 10 30 FGEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2ccnn2C)CC1)C(C)C ZINC000156582459 496284264 /nfs/dbraw/zinc/28/42/64/496284264.db2.gz ASSBWFQEOCBGOA-HXUWFJFHSA-N 0 3 373.545 3.008 10 30 FGEEHN CCN1CCC[C@@H]1CN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000175333024 496344353 /nfs/dbraw/zinc/34/43/53/496344353.db2.gz FQMBKDPRMWULKA-GOSISDBHSA-N 0 3 362.905 3.003 10 30 FGEEHN N#Cc1ccccc1COc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000195332247 496892864 /nfs/dbraw/zinc/89/28/64/496892864.db2.gz OCBZZGGQTHYCLZ-HXUWFJFHSA-N 0 3 361.445 3.057 10 30 FGEEHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1ccc2c(c1)OCCO2 ZINC000195338298 496895212 /nfs/dbraw/zinc/89/52/12/496895212.db2.gz HWCVOLDCFTUZSD-GFCCVEGCSA-N 0 3 357.435 3.070 10 30 FGEEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000190501993 497505585 /nfs/dbraw/zinc/50/55/85/497505585.db2.gz HHFMVOGEXLLVSY-INIZCTEOSA-N 0 3 367.428 3.078 10 30 FGEEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000190512156 497510989 /nfs/dbraw/zinc/51/09/89/497510989.db2.gz YXCCYQDSGIWETM-HXUWFJFHSA-N 0 3 374.500 3.305 10 30 FGEEHN C=C(C)CS(=O)(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000223443436 713570447 /nfs/dbraw/zinc/57/04/47/713570447.db2.gz FPYUTHGWPKLXRL-LJQANCHMSA-N 0 3 350.528 3.408 10 30 FGEEHN C=CCNC(=O)c1ccc(NC(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000048159646 493794434 /nfs/dbraw/zinc/79/44/34/493794434.db2.gz VAUFFUXOMZEQLL-LJQANCHMSA-N 0 3 366.465 3.027 10 30 FGEEHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)C2)n1 ZINC000121943894 494896110 /nfs/dbraw/zinc/89/61/10/494896110.db2.gz VDOUPJXHDGQKST-HNAYVOBHSA-N 0 3 353.470 3.098 10 30 FGEEHN CN(CCOc1cccc(C#N)c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160513 495421432 /nfs/dbraw/zinc/42/14/32/495421432.db2.gz READNHOQYSBHAC-LJQANCHMSA-N 0 3 371.506 3.004 10 30 FGEEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000154558121 495654155 /nfs/dbraw/zinc/65/41/55/495654155.db2.gz KWCTXMZUIBMAOK-SUMWQHHRSA-N 0 3 371.872 3.208 10 30 FGEEHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000171699071 495994714 /nfs/dbraw/zinc/99/47/14/495994714.db2.gz OBENCESLDQJDAT-CYBMUJFWSA-N 0 3 366.303 3.460 10 30 FGEEHN CN(Cc1ccc(Cl)cc1C#N)C1CCN(CCn2cccn2)CC1 ZINC000186975453 496235609 /nfs/dbraw/zinc/23/56/09/496235609.db2.gz PPXBIKOAJRHUGZ-UHFFFAOYSA-N 0 3 357.889 3.005 10 30 FGEEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000247357160 496843190 /nfs/dbraw/zinc/84/31/90/496843190.db2.gz OIHYFSVRBMWEFU-MAUKXSAKSA-N 0 3 367.449 3.189 10 30 FGEEHN Cc1c(C#N)cccc1NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190507656 497508374 /nfs/dbraw/zinc/50/83/74/497508374.db2.gz AYBXLSYJCOYZGE-GOSISDBHSA-N 0 3 363.465 3.248 10 30 FGEEHN CC(=O)N[C@]1(c2noc(C)n2)CCN(c2ccnc3ccc(C)cc32)C1 ZINC000328610909 498873956 /nfs/dbraw/zinc/87/39/56/498873956.db2.gz JOUXBLDYQKUKNJ-LJQANCHMSA-N 0 3 351.410 3.317 10 30 FGEEHN CC(=O)N[C@]1(c2noc(C)n2)CCN(c2cc(C)nc3ccccc32)C1 ZINC000328614138 498875597 /nfs/dbraw/zinc/87/55/97/498875597.db2.gz VLZPSJJLHHOYJP-LJQANCHMSA-N 0 3 351.410 3.317 10 30 FGEEHN C=CCC[C@@H](CN1CCCOCC1)Oc1ccc(CN2CCCC2)cn1 ZINC000072435611 494175375 /nfs/dbraw/zinc/17/53/75/494175375.db2.gz BOIQHYAOABMYDT-FQEVSTJZSA-N 0 3 359.514 3.113 10 30 FGEEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1occc1COc1cccc(C#N)c1 ZINC000113227268 495285676 /nfs/dbraw/zinc/28/56/76/495285676.db2.gz DOAUESOLNOYBBP-MAUKXSAKSA-N 0 3 365.433 3.039 10 30 FGEEHN N#Cc1ccc(NC(=O)CCN2CC[C@H](Oc3cccnc3)C2)cc1Cl ZINC000154700898 495700014 /nfs/dbraw/zinc/70/00/14/495700014.db2.gz MYVPPRUHFJQVQT-KRWDZBQOSA-N 0 3 370.840 3.089 10 30 FGEEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000176988494 495872653 /nfs/dbraw/zinc/87/26/53/495872653.db2.gz ZUFGOEURNIVVHC-QGZVFWFLSA-N 0 3 367.449 3.287 10 30 FGEEHN C#CCCCCC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000180339912 495958037 /nfs/dbraw/zinc/95/80/37/495958037.db2.gz XKPVNEKFJKDMGM-NRFANRHFSA-N 0 3 356.510 3.084 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000195267203 496868930 /nfs/dbraw/zinc/86/89/30/496868930.db2.gz OLYQJIDKGGHMKM-GOSISDBHSA-N 0 3 357.498 3.396 10 30 FGEEHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2ccn[nH]2)CC1 ZINC000195507786 496945634 /nfs/dbraw/zinc/94/56/34/496945634.db2.gz XTCYNONTXBAVDW-OAHLLOKOSA-N 0 3 369.444 3.064 10 30 FGEEHN C[C@H]1CN(CCC2CCN(c3snc(Cl)c3C#N)CC2)C[C@H](C)O1 ZINC000301596767 498180929 /nfs/dbraw/zinc/18/09/29/498180929.db2.gz ZNZLGJGSBGPMMG-STQMWFEESA-N 0 3 368.934 3.384 10 30 FGEEHN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)N2CCCC2)c1 ZINC000302762461 498563503 /nfs/dbraw/zinc/56/35/03/498563503.db2.gz YRDJLGTZFWBRHS-SFHVURJKSA-N 0 3 367.409 3.119 10 30 FGEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2cc(C)nc(C)c2C#N)C1 ZINC000328627088 498881499 /nfs/dbraw/zinc/88/14/99/498881499.db2.gz FUVJNXKXDNUPAY-INIZCTEOSA-N 0 3 355.511 3.293 10 30 FGEEHN C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccccc1Cl)C2 ZINC000014745638 519287148 /nfs/dbraw/zinc/28/71/48/519287148.db2.gz HIRHUMJCISDBPW-HNNXBMFYSA-N 0 3 372.900 3.071 10 30 FGEEHN COc1ccc(CN2CCC(c3ccnn3C)CC2)cc1OCCCC#N ZINC000092810549 494755510 /nfs/dbraw/zinc/75/55/10/494755510.db2.gz SGMWBBKFFXCGNV-UHFFFAOYSA-N 0 3 368.481 3.491 10 30 FGEEHN COc1ccc(C#N)cc1CN1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195260048 496865001 /nfs/dbraw/zinc/86/50/01/496865001.db2.gz FSDWKLRFFZPYDI-QGZVFWFLSA-N 0 3 370.522 3.286 10 30 FGEEHN Cc1ccc(N(CCC#N)C(=O)CN2CCC(c3ccn[nH]3)CC2)cc1C ZINC000195505311 496945447 /nfs/dbraw/zinc/94/54/47/496945447.db2.gz JCGUNOIUSTVQIO-UHFFFAOYSA-N 0 3 365.481 3.153 10 30 FGEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000190622466 497549879 /nfs/dbraw/zinc/54/98/79/497549879.db2.gz HLRLYDWDPTZTBA-LJQANCHMSA-N 0 3 374.488 3.231 10 30 FGEEHN Cc1ncsc1CN(C)C[C@H]1CCN(c2cc(C)nc(C)c2C#N)C1 ZINC000328627089 498881837 /nfs/dbraw/zinc/88/18/37/498881837.db2.gz FUVJNXKXDNUPAY-MRXNPFEDSA-N 0 3 355.511 3.293 10 30 FGEEHN CCCCCCCCOC[C@H](O)CNCCOc1ccccc1OC ZINC000584627882 507434447 /nfs/dbraw/zinc/43/44/47/507434447.db2.gz OHARMKBLCNAIRA-GOSISDBHSA-N 0 3 353.503 3.402 10 30 FGEEHN