smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)Cn1c(CCCNC(=O)COC)nc2ccccc21 ZINC000040300090 213290021 /nfs/dbraw/zinc/29/00/21/213290021.db2.gz GEHXIHVPPIFXND-UHFFFAOYSA-N 0 0 344.415 1.034 10 30 EDEERN C=C(C)C(=O)NCc1nc2ccccc2n1CC(=O)N1CCOCC1 ZINC000040194311 213280393 /nfs/dbraw/zinc/28/03/93/213280393.db2.gz RBUQLFSZJSHFON-UHFFFAOYSA-N 0 0 342.399 1.087 10 30 EDEERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2sccc2C#N)n1 ZINC000185072664 138800688 /nfs/dbraw/zinc/80/06/88/138800688.db2.gz CEXPVDINWKVGOD-NSHDSACASA-N 0 0 333.373 1.323 10 30 EDEERN COC(=O)[C@@H](C)Oc1c(N)cc(C#N)cc1I ZINC000043623627 202514442 /nfs/dbraw/zinc/51/44/42/202514442.db2.gz AYGLVBBYFXQNDD-ZCFIWIBFSA-N 0 0 346.124 1.685 10 30 EDEERN N#CC1c2cc(C(F)(F)F)ccc2C(=O)N1[C@H]1CCS(=O)(=O)C1 ZINC000071681030 203102878 /nfs/dbraw/zinc/10/28/78/203102878.db2.gz XLYKVTZOYLLDRH-CABZTGNLSA-N 0 0 344.314 1.913 10 30 EDEERN C#CCNC(=O)[C@H](C)Nc1ccccc1I ZINC000020367940 212123731 /nfs/dbraw/zinc/12/37/31/212123731.db2.gz MTYVPOCDKSHTFA-VIFPVBQESA-N 0 0 328.153 1.841 10 30 EDEERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000102102307 204031879 /nfs/dbraw/zinc/03/18/79/204031879.db2.gz ZSEWZWXWKBOSPA-OAHLLOKOSA-N 0 0 342.399 1.404 10 30 EDEERN COC[C@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000103429806 204078475 /nfs/dbraw/zinc/07/84/75/204078475.db2.gz XWFQRACIOWSZOO-LBPRGKRZSA-N 0 0 344.371 1.737 10 30 EDEERN N#Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000123226580 204908710 /nfs/dbraw/zinc/90/87/10/204908710.db2.gz DRFCKSVQOPVWFZ-KDOFPFPSSA-N 0 0 327.384 1.650 10 30 EDEERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000117812835 221091584 /nfs/dbraw/zinc/09/15/84/221091584.db2.gz LOLLZSOGEOSVHI-UHFFFAOYSA-N 0 0 331.763 1.472 10 30 EDEERN C=CCN(CC=C)C(=O)CO/N=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006312858 440987220 /nfs/dbraw/zinc/98/72/20/440987220.db2.gz JBFZUFIIFVBDLI-GZTJUZNOSA-N 0 0 346.343 1.736 10 30 EDEERN C#CCN1C(=O)CSc2nnc(COc3ccccc3OC)n21 ZINC000034809981 441601205 /nfs/dbraw/zinc/60/12/05/441601205.db2.gz FJKNNKHCSNMPBL-UHFFFAOYSA-N 0 0 330.369 1.069 10 30 EDEERN C#Cc1cccc(NC(=O)C(=O)N2CCN(CCOC)[C@H](CC)C2)c1 ZINC000117526314 441874677 /nfs/dbraw/zinc/87/46/77/441874677.db2.gz QDCHJXOQFFSNAK-QGZVFWFLSA-N 0 0 343.427 1.176 10 30 EDEERN C#Cc1cccc(NC(=O)C(=O)N2CCN(CCOC)[C@@H](CC)C2)c1 ZINC000117526319 441874765 /nfs/dbraw/zinc/87/47/65/441874765.db2.gz QDCHJXOQFFSNAK-KRWDZBQOSA-N 0 0 343.427 1.176 10 30 EDEERN C=CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc(C)cn2)cc1 ZINC000117819218 441880341 /nfs/dbraw/zinc/88/03/41/441880341.db2.gz UBOIAVFAFWTNRT-UHFFFAOYSA-N 0 0 348.428 1.086 10 30 EDEERN N#Cc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)s1 ZINC000120501719 442084535 /nfs/dbraw/zinc/08/45/35/442084535.db2.gz NNLANSLOXPQSMT-UHFFFAOYSA-N 0 0 325.401 1.380 10 30 EDEERN COCCN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C ZINC000152027824 442155820 /nfs/dbraw/zinc/15/58/20/442155820.db2.gz SEJBAOPHUQCWOE-LBPRGKRZSA-N 0 0 341.408 1.039 10 30 EDEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000177057477 442291530 /nfs/dbraw/zinc/29/15/30/442291530.db2.gz DTKZXVHSXIOGBR-IRXDYDNUSA-N 0 0 340.383 1.370 10 30 EDEERN Cn1cc([C@H]2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)cn1 ZINC000177081603 442294529 /nfs/dbraw/zinc/29/45/29/442294529.db2.gz PEHATMHPHAEFNU-DZGCQCFKSA-N 0 0 341.440 1.948 10 30 EDEERN CCc1noc([C@H](C)N2CCN(C(=O)c3cc(C#N)cn3C)CC2)n1 ZINC000177351993 442331227 /nfs/dbraw/zinc/33/12/27/442331227.db2.gz JWSWGSXLIISEQA-LBPRGKRZSA-N 0 0 342.403 1.361 10 30 EDEERN N#CC1(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)CCOCC1 ZINC000171764520 442379041 /nfs/dbraw/zinc/37/90/41/442379041.db2.gz ZOVBTZOHXGTZJI-QGZVFWFLSA-N 0 0 343.427 1.185 10 30 EDEERN O=c1ccc2c([nH]1)CC/C(=C/c1cnc(N3CCOCC3)s1)C2=O ZINC000180318485 442580032 /nfs/dbraw/zinc/58/00/32/442580032.db2.gz IYHNRDPBZNCOQU-LUAWRHEFSA-N 0 0 343.408 1.881 10 30 EDEERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1ccn(CCC#N)n1)CC2 ZINC000181605633 442706209 /nfs/dbraw/zinc/70/62/09/442706209.db2.gz RNPOIJLBTHFSSE-LBPRGKRZSA-N 0 0 342.407 1.648 10 30 EDEERN N#Cc1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CCCC[C@H]1CCO ZINC000256047997 443115590 /nfs/dbraw/zinc/11/55/90/443115590.db2.gz PYURUAICUKHNGS-LBPRGKRZSA-N 0 0 342.359 1.788 10 30 EDEERN Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)Cn2ccnn2)cs1 ZINC000328634083 444405619 /nfs/dbraw/zinc/40/56/19/444405619.db2.gz MMJDJBYBPNOBFV-AAEUAGOBSA-N 0 0 338.412 1.612 10 30 EDEERN Cn1cc(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)cn1 ZINC000328622867 444398037 /nfs/dbraw/zinc/39/80/37/444398037.db2.gz BOFUYAXTHGMHBW-JSGCOSHPSA-N 0 0 333.371 1.149 10 30 EDEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864414 527627710 /nfs/dbraw/zinc/62/77/10/527627710.db2.gz UNMOZTBTHVZUAM-LSDHHAIUSA-N 0 0 347.463 1.646 10 30 EDEERN COc1ccc(C#N)cc1CN1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000794082800 580872202 /nfs/dbraw/zinc/87/22/02/580872202.db2.gz BNYZQEUNXUXQAS-SFHVURJKSA-N 0 0 341.415 1.833 10 30 EDEERN C[C@H](C#N)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000125348915 597354850 /nfs/dbraw/zinc/35/48/50/597354850.db2.gz RPTGIJVYTXAPNV-ZCFIWIBFSA-N 0 0 345.096 1.841 10 30 EDEERN N#Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)ccc1F ZINC000132698290 138381188 /nfs/dbraw/zinc/38/11/88/138381188.db2.gz ODXIPBIQWJIRKE-CQSZACIVSA-N 0 0 347.371 1.934 10 30 EDEERN Cc1nc(CN2CCCN(C(=O)C3(C#N)CCCCC3)CC2)no1 ZINC000110946540 237112744 /nfs/dbraw/zinc/11/27/44/237112744.db2.gz LMCCCMYAAMNEDA-UHFFFAOYSA-N 0 0 331.420 1.886 10 30 EDEERN c1ccc(N(OCCOC[C@H]2CO2)OCCOC[C@H]2CO2)cc1 ZINC000005933768 201362388 /nfs/dbraw/zinc/36/23/88/201362388.db2.gz XCBLHARHDZIEJQ-HOTGVXAUSA-N 0 0 325.361 1.187 10 30 EDEERN N#Cc1cccc(S(=O)(=O)CC[S@](=O)C2CCOCC2)c1 ZINC000163390761 201418247 /nfs/dbraw/zinc/41/82/47/201418247.db2.gz XIQCELOOVLALBK-HXUWFJFHSA-N 0 0 327.427 1.260 10 30 EDEERN N#CC1c2cc(C(F)(F)F)ccc2C(=O)N1[C@@H]1CCS(=O)(=O)C1 ZINC000071681029 203102200 /nfs/dbraw/zinc/10/22/00/203102200.db2.gz XLYKVTZOYLLDRH-BXKDBHETSA-N 0 0 344.314 1.913 10 30 EDEERN COc1cc2c(c(OC)c1OC)C(=O)N(C[C@@H]1CCCO1)C2C#N ZINC000071682357 203102468 /nfs/dbraw/zinc/10/24/68/203102468.db2.gz ODOIMJKDCJITKF-JQWIXIFHSA-N 0 0 332.356 1.912 10 30 EDEERN CCOC[C@@H](C)NS(=O)(=O)c1ccc(C#CCO)cc1Cl ZINC000044682476 204306751 /nfs/dbraw/zinc/30/67/51/204306751.db2.gz DAWOOZGYPSKVRS-LLVKDONJSA-N 0 0 331.821 1.387 10 30 EDEERN C[C@@H]1CN(S(=O)(=O)c2ccccc2C#CCCO)CCS1 ZINC000137319314 223691210 /nfs/dbraw/zinc/69/12/10/223691210.db2.gz YGDRVPSVKMLKJV-CYBMUJFWSA-N 0 0 325.455 1.547 10 30 EDEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(C#N)c1 ZINC000156123249 206056116 /nfs/dbraw/zinc/05/61/16/206056116.db2.gz FYPVCUISVNIVKH-AWEZNQCLSA-N 0 0 340.387 1.630 10 30 EDEERN COC(=O)CN(CC#N)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000177620187 533489733 /nfs/dbraw/zinc/48/97/33/533489733.db2.gz HRLHNRBRIFOUHH-AWEZNQCLSA-N 0 0 326.780 1.216 10 30 EDEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000105279842 441246469 /nfs/dbraw/zinc/24/64/69/441246469.db2.gz LUTXEWKOJQBBLZ-MRXNPFEDSA-N 0 0 348.403 1.623 10 30 EDEERN CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCO2)[nH]1 ZINC000173737451 441831908 /nfs/dbraw/zinc/83/19/08/441831908.db2.gz JPROFLPBTBBQOF-CYBMUJFWSA-N 0 0 347.400 1.001 10 30 EDEERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)cn1 ZINC000152024630 442154991 /nfs/dbraw/zinc/15/49/91/442154991.db2.gz SLABYMYMWNNJJQ-NSHDSACASA-N 0 0 334.376 1.609 10 30 EDEERN C=CCNc1ncc(C(=O)N2CCN(CCOCC)[C@@H](C)C2)s1 ZINC000129048631 442299677 /nfs/dbraw/zinc/29/96/77/442299677.db2.gz ODSNLKAJMBLYJB-ZDUSSCGKSA-N 0 0 338.477 1.924 10 30 EDEERN C=CCNC(=O)CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180723833 442652115 /nfs/dbraw/zinc/65/21/15/442652115.db2.gz GMKWSZWZPYGMMG-ZDUSSCGKSA-N 0 0 327.388 1.535 10 30 EDEERN C=CCNC(=O)CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180723847 442652150 /nfs/dbraw/zinc/65/21/50/442652150.db2.gz GMKWSZWZPYGMMG-CYBMUJFWSA-N 0 0 327.388 1.535 10 30 EDEERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000181719008 442712565 /nfs/dbraw/zinc/71/25/65/442712565.db2.gz VPEVAEQLVWSMDS-HNNXBMFYSA-N 0 0 334.395 1.295 10 30 EDEERN C=CCN(CCOC)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000189361165 442929104 /nfs/dbraw/zinc/92/91/04/442929104.db2.gz VJFWWIDCLHASGS-AWEZNQCLSA-N 0 0 348.451 1.331 10 30 EDEERN C=CC[C@H](CO)NC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000185893198 443277013 /nfs/dbraw/zinc/27/70/13/443277013.db2.gz ILBRPTVFZMNQCB-CZUORRHYSA-N 0 0 334.416 1.503 10 30 EDEERN COCCN1C(=O)N[C@@H]2CN(c3nc(C)cc(C)c3C#N)CC[C@@H]21 ZINC000299740633 444129508 /nfs/dbraw/zinc/12/95/08/444129508.db2.gz ATXCKQMVNAABGU-CABCVRRESA-N 0 0 329.404 1.189 10 30 EDEERN C/C(=N/NC(=S)NC[C@@H]1CCCO1)c1ccc(-n2cncn2)cc1 ZINC000056659652 518451423 /nfs/dbraw/zinc/45/14/23/518451423.db2.gz QUTUGPRNNPSUGY-DKNZLLBESA-N 0 0 344.444 1.634 10 30 EDEERN C=CCNc1ncc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)s1 ZINC000178549190 526679505 /nfs/dbraw/zinc/67/95/05/526679505.db2.gz ITSHNDFVRYHYAH-GFCCVEGCSA-N 0 0 332.433 1.885 10 30 EDEERN [NH3+]CCc1ccc(S(=O)([O-])=NC(=O)NC2CCCCC2)cc1 ZINC000039291968 527196501 /nfs/dbraw/zinc/19/65/01/527196501.db2.gz NYLHFSLGOJDWNQ-UHFFFAOYSA-N 0 0 325.434 1.713 10 30 in-vitro EDEERN N#Cc1ccncc1N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818147115 593674888 /nfs/dbraw/zinc/67/48/88/593674888.db2.gz VNDYZCRQQMDYEI-KRWDZBQOSA-N 0 0 325.372 1.788 10 30 EDEERN CN(C(=O)CN1CC[C@H](N2CCOCC2)C1)C1(C#N)CCCCC1 ZINC000173928884 231073211 /nfs/dbraw/zinc/07/32/11/231073211.db2.gz LBJGVVIHKIVGLS-INIZCTEOSA-N 0 0 334.464 1.078 10 30 EDEERN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000185103664 235582525 /nfs/dbraw/zinc/58/25/25/235582525.db2.gz KZHVIUNZJFPVDN-LLVKDONJSA-N 0 0 337.792 1.617 10 30 EDEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000178503104 138742323 /nfs/dbraw/zinc/74/23/23/138742323.db2.gz JNWLLEHXKMZGGU-CQSZACIVSA-N 0 0 338.371 1.260 10 30 EDEERN CN(CCC#N)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039659 202389125 /nfs/dbraw/zinc/38/91/25/202389125.db2.gz RFBYFIFQJHGZGC-UHFFFAOYSA-N 0 0 348.178 1.891 10 30 EDEERN Cc1cc(C(=O)Nc2ccccc2C#N)nn1[C@H]1CCS(=O)(=O)C1 ZINC000049683377 202626555 /nfs/dbraw/zinc/62/65/55/202626555.db2.gz WAFBZVHGQUKENK-ZDUSSCGKSA-N 0 0 344.396 1.675 10 30 EDEERN C[C@@H](CN1C(=O)c2ccc(N(C)C)cc2[C@@H]1C#N)CN1CCOCC1 ZINC000071679207 203101866 /nfs/dbraw/zinc/10/18/66/203101866.db2.gz KGNOUMPNQBUDFZ-KDOFPFPSSA-N 0 0 342.443 1.741 10 30 EDEERN CN(Cc1csc(C#CCO)c1)S(=O)(=O)N1CCCCC1 ZINC000042365149 204089444 /nfs/dbraw/zinc/08/94/44/204089444.db2.gz ZLRKDLFNDPVNFD-UHFFFAOYSA-N 0 0 328.459 1.254 10 30 EDEERN COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000185887150 286192197 /nfs/dbraw/zinc/19/21/97/286192197.db2.gz SGSPUGHWSYVVLO-LBPRGKRZSA-N 0 0 347.400 1.601 10 30 EDEERN C[C@@H](C(=O)Nc1cc(Cl)ccc1C#CCCO)S(C)(=O)=O ZINC000168866035 226224522 /nfs/dbraw/zinc/22/45/22/226224522.db2.gz NGRJIINWPLXRSG-JTQLQIEISA-N 0 0 329.805 1.446 10 30 EDEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCN(CC#N)CC2)C1 ZINC000073099579 441292654 /nfs/dbraw/zinc/29/26/54/441292654.db2.gz LVJRWXFSLUFWLZ-UONOGXRCSA-N 0 0 336.436 1.348 10 30 EDEERN N#Cc1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc1F ZINC000122956576 441869842 /nfs/dbraw/zinc/86/98/42/441869842.db2.gz CEFQSTIAIWREQL-SCLBCKFNSA-N 0 0 345.374 1.789 10 30 EDEERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C#N)cn2C)ncn1 ZINC000176198315 442189371 /nfs/dbraw/zinc/18/93/71/442189371.db2.gz ITHVETVIMZHABE-ZDUSSCGKSA-N 0 0 339.403 1.127 10 30 EDEERN C#CCSCCNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000172360890 442450125 /nfs/dbraw/zinc/45/01/25/442450125.db2.gz MSCOQJWTDQXBAC-GFCCVEGCSA-N 0 0 340.470 1.817 10 30 EDEERN N#CCCCS(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172605294 442502251 /nfs/dbraw/zinc/50/22/51/442502251.db2.gz FTJYYIFEKAWFHG-UHFFFAOYSA-N 0 0 334.401 1.583 10 30 EDEERN C=CCNC(=O)CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000181645684 442708296 /nfs/dbraw/zinc/70/82/96/442708296.db2.gz ODXBOHPGYRTWNH-RHSMWYFYSA-N 0 0 329.400 1.015 10 30 EDEERN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000193091124 442711870 /nfs/dbraw/zinc/71/18/70/442711870.db2.gz CIERUEIYPPQTIS-KBPBESRZSA-N 0 0 346.431 1.721 10 30 EDEERN CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCO2)cn1 ZINC000189225110 442900742 /nfs/dbraw/zinc/90/07/42/442900742.db2.gz OZHACFWJXQFPIW-INIZCTEOSA-N 0 0 346.412 1.537 10 30 EDEERN C=CCc1ccc(OCC(=O)NC[C@H]2CN(C)CCO2)c(OC)c1 ZINC000194636458 442928844 /nfs/dbraw/zinc/92/88/44/442928844.db2.gz SQZWRMJWCRPUNT-HNNXBMFYSA-N 0 0 334.416 1.249 10 30 EDEERN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000184686211 443059964 /nfs/dbraw/zinc/05/99/64/443059964.db2.gz WMFFITCYRNOSLA-JTQLQIEISA-N 0 0 337.792 1.096 10 30 EDEERN N#CCCn1cc(C(=O)CN2C[C@H](O)C[C@@H]2CO)c2ccccc21 ZINC000184721464 443066516 /nfs/dbraw/zinc/06/65/16/443066516.db2.gz LJEBBLHCNLXSGY-ZIAGYGMSSA-N 0 0 327.384 1.165 10 30 EDEERN CCN(c1nn(-c2ccccc2F)nc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000256046195 443115462 /nfs/dbraw/zinc/11/54/62/443115462.db2.gz DKMJBEZQCXKSGM-LLVKDONJSA-N 0 0 349.391 1.291 10 30 EDEERN CCc1nnc2n1CCN(C1CN(C(=O)N[C@@H]3C=CCCC3)C1)C2 ZINC000328646963 444413068 /nfs/dbraw/zinc/41/30/68/444413068.db2.gz SYOZOCBVCSQHFP-CYBMUJFWSA-N 0 0 330.436 1.363 10 30 EDEERN COc1ncncc1NC(=O)N1CCOC[C@@H]1c1nnc(C(C)C)o1 ZINC000328625419 444399524 /nfs/dbraw/zinc/39/95/24/444399524.db2.gz KSNRLQWTYUUMJV-LLVKDONJSA-N 0 0 348.363 1.611 10 30 EDEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCCNC(=O)[C@H]1C ZINC000189249737 517466491 /nfs/dbraw/zinc/46/64/91/517466491.db2.gz MGIKHVXSCXQXIN-CZUORRHYSA-N 0 0 329.400 1.699 10 30 EDEERN N#CCCn1ccc(NC(=O)N2CCC(Cn3cccn3)CC2)n1 ZINC000173363901 534658946 /nfs/dbraw/zinc/65/89/46/534658946.db2.gz GDGZNSQIAHRNSS-UHFFFAOYSA-N 0 0 327.392 1.937 10 30 EDEERN C=C(Br)CNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000161420161 526428380 /nfs/dbraw/zinc/42/83/80/526428380.db2.gz SCABKKJVCZTANN-UHFFFAOYSA-N 0 0 334.191 1.645 10 30 EDEERN C=CCOc1ccccc1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173862026 526940589 /nfs/dbraw/zinc/94/05/89/526940589.db2.gz GBPPFWDVUAVRBH-KRWDZBQOSA-N 0 0 345.443 1.868 10 30 EDEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000888077613 590934001 /nfs/dbraw/zinc/93/40/01/590934001.db2.gz LOVQMIJCDKBDDT-TZMCWYRMSA-N 0 0 332.385 1.432 10 30 EDEERN C#CCN1CCN(C(=O)[C@H](NC(=O)c2ccccc2)[C@@H](C)CC)CC1 ZINC000128271186 597869807 /nfs/dbraw/zinc/86/98/07/597869807.db2.gz LXVWPANKXREQTQ-FUHWJXTLSA-N 0 0 341.455 1.609 10 30 EDEERN C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000072647423 138208459 /nfs/dbraw/zinc/20/84/59/138208459.db2.gz BCPDKRKNKCHREQ-IAQYHMDHSA-N 0 0 340.383 1.678 10 30 EDEERN N#Cc1cc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)ccc1F ZINC000132698511 138381088 /nfs/dbraw/zinc/38/10/88/138381088.db2.gz ODXIPBIQWJIRKE-AWEZNQCLSA-N 0 0 347.371 1.934 10 30 EDEERN C[C@H](NS(=O)(=O)CCCC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000104108942 237058086 /nfs/dbraw/zinc/05/80/86/237058086.db2.gz XLEAGHRZRDCIRM-NSHDSACASA-N 0 0 330.431 1.374 10 30 EDEERN Cc1csc([C@H]2CN(S(=O)(=O)CCCCC#N)CCO2)n1 ZINC000193950186 237487694 /nfs/dbraw/zinc/48/76/94/237487694.db2.gz KXJNDMIHGAWYNJ-GFCCVEGCSA-N 0 0 329.447 1.849 10 30 EDEERN O=S(=O)(NCc1ccc(C#CCO)s1)c1cccc(F)c1 ZINC000071323346 202344090 /nfs/dbraw/zinc/34/40/90/202344090.db2.gz QGLWGJNKIVTKIW-UHFFFAOYSA-N 0 0 325.386 1.710 10 30 EDEERN COc1ccc(OC)c(Nc2ncnc(N(CC#N)CC#N)c2N)c1 ZINC000040736509 202462009 /nfs/dbraw/zinc/46/20/09/202462009.db2.gz RPLLXNYTEFQRQG-UHFFFAOYSA-N 0 0 339.359 1.673 10 30 EDEERN c1ccc(N(OCCOC[C@@H]2CO2)OCCOC[C@H]2CO2)cc1 ZINC000005933762 201361665 /nfs/dbraw/zinc/36/16/65/201361665.db2.gz XCBLHARHDZIEJQ-IYBDPMFKSA-N 0 0 325.361 1.187 10 30 EDEERN C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)NC(C)(C)C)n1 ZINC000022629037 212313734 /nfs/dbraw/zinc/31/37/34/212313734.db2.gz DWPPEAMERYPWOV-UHFFFAOYSA-N 0 0 338.433 1.034 10 30 EDEERN COC(=O)[C@@H](C)N1C(=O)c2cc(OC)c(OC)c(OC)c2C1C#N ZINC000071682265 203102243 /nfs/dbraw/zinc/10/22/43/203102243.db2.gz YTTTYVIHBGZXIK-SCZZXKLOSA-N 0 0 334.328 1.294 10 30 EDEERN Cc1cnn(C[C@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)c1 ZINC000112108105 204382464 /nfs/dbraw/zinc/38/24/64/204382464.db2.gz YAOMLVHKTGFRLQ-QGZVFWFLSA-N 0 0 339.399 1.674 10 30 EDEERN C=CCn1ncc(NC[C@@H](C)[S@](C)=O)c(Br)c1=O ZINC000158684639 205358132 /nfs/dbraw/zinc/35/81/32/205358132.db2.gz LVOFMBOCBVMJMQ-NTCNTBNZSA-N 0 0 334.239 1.371 10 30 EDEERN O=c1cc(I)cnn1CC#Cc1ccccc1 ZINC000158572948 205337887 /nfs/dbraw/zinc/33/78/87/205337887.db2.gz XRKXPNSKIGVGOO-UHFFFAOYSA-N 0 0 336.132 1.900 10 30 EDEERN C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@@H](O)COC(C)(C)C ZINC000246282097 139102370 /nfs/dbraw/zinc/10/23/70/139102370.db2.gz BOQLAOTTYPHLQU-ZIAGYGMSSA-N 0 0 333.436 1.035 10 30 EDEERN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000246370560 139105945 /nfs/dbraw/zinc/10/59/45/139105945.db2.gz HHUFCDKTWSXKJB-NVXWUHKLSA-N 0 0 339.399 1.776 10 30 EDEERN O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)N1CC(O)(C2CC2)C1 ZINC000329511764 249846413 /nfs/dbraw/zinc/84/64/13/249846413.db2.gz CDOPKMZWBHKOSJ-UHFFFAOYSA-N 0 0 348.378 1.952 10 30 EDEERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c1 ZINC000118134118 221128220 /nfs/dbraw/zinc/12/82/20/221128220.db2.gz AKCCOWMUQZNSDL-UHFFFAOYSA-N 0 0 331.763 1.472 10 30 EDEERN C#CCOc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)cc1 ZINC000119181048 221260858 /nfs/dbraw/zinc/26/08/58/221260858.db2.gz HBIPEIVOBOSXME-UHFFFAOYSA-N 0 0 336.395 1.841 10 30 EDEERN C[C@@H](Nc1cccc(Br)c1C#N)C(=O)N1CCOCC1 ZINC000168594021 226219602 /nfs/dbraw/zinc/21/96/02/226219602.db2.gz MMLNJNKDQFNTSI-SNVBAGLBSA-N 0 0 338.205 1.980 10 30 EDEERN C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1nnc2n1CCCC2 ZINC000121743856 221920708 /nfs/dbraw/zinc/92/07/08/221920708.db2.gz PLZXDHSKZGSRNK-GFCCVEGCSA-N 0 0 345.428 1.667 10 30 EDEERN N#Cc1cc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)ccc1F ZINC000122484958 222097355 /nfs/dbraw/zinc/09/73/55/222097355.db2.gz XKPQPXVWIKFBLR-UHFFFAOYSA-N 0 0 334.376 1.989 10 30 EDEERN C[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CCCO1 ZINC000192585700 289804646 /nfs/dbraw/zinc/80/46/46/289804646.db2.gz CCCRPJLUQDYPTH-WCQYABFASA-N 0 0 332.404 1.737 10 30 EDEERN C=CCOCCCC(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000173353735 441721709 /nfs/dbraw/zinc/72/17/09/441721709.db2.gz PEYGCQHBDVTMOS-CQSZACIVSA-N 0 0 336.436 1.820 10 30 EDEERN CN(C(=O)CN1CC[C@@H](N2CCOCC2)C1)C1(C#N)CCCCC1 ZINC000173928900 441863189 /nfs/dbraw/zinc/86/31/89/441863189.db2.gz LBJGVVIHKIVGLS-MRXNPFEDSA-N 0 0 334.464 1.078 10 30 EDEERN COCCN(Cc1ccc(C#N)cc1)C(=O)NCCn1cc(C)cn1 ZINC000118078035 441886460 /nfs/dbraw/zinc/88/64/60/441886460.db2.gz QPHKCHRPLMTOHF-UHFFFAOYSA-N 0 0 341.415 1.921 10 30 EDEERN C=CCc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)N(C)C)c(OC)c1 ZINC000120271368 442040856 /nfs/dbraw/zinc/04/08/56/442040856.db2.gz KKQHTZNXMXSCDG-OAHLLOKOSA-N 0 0 346.427 1.882 10 30 EDEERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000176086026 442174007 /nfs/dbraw/zinc/17/40/07/442174007.db2.gz HNWKFXZBFCTAFH-UHFFFAOYSA-N 0 0 340.431 1.205 10 30 EDEERN CC#CCNC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 ZINC000121092117 442177022 /nfs/dbraw/zinc/17/70/22/442177022.db2.gz KQOMAJHSMIWNOX-MRXNPFEDSA-N 0 0 336.457 1.828 10 30 EDEERN CCCC(=O)N[C@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000170652148 442242684 /nfs/dbraw/zinc/24/26/84/442242684.db2.gz UEFNIYIZCQTXRB-INIZCTEOSA-N 0 0 328.416 1.877 10 30 EDEERN C[C@@H](SC[C@@H](O)CO)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177434222 442341128 /nfs/dbraw/zinc/34/11/28/442341128.db2.gz RTMLQUZQQCIRNP-BDAKNGLRSA-N 0 0 326.443 1.522 10 30 EDEERN C=CCSCCNC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000192374653 442641783 /nfs/dbraw/zinc/64/17/83/442641783.db2.gz MZCXBTJXFCRRCS-NWDGAFQWSA-N 0 0 326.422 1.769 10 30 EDEERN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000193091088 442711932 /nfs/dbraw/zinc/71/19/32/442711932.db2.gz CIERUEIYPPQTIS-ZIAGYGMSSA-N 0 0 346.431 1.721 10 30 EDEERN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000249357255 442967850 /nfs/dbraw/zinc/96/78/50/442967850.db2.gz RJZDJJPEGVUESK-UAGQMJEPSA-N 0 0 331.416 1.058 10 30 EDEERN Cc1nc(C[C@@H]2CCCN(CC(=O)N(CCC#N)CCC#N)C2)no1 ZINC000195518343 443028601 /nfs/dbraw/zinc/02/86/01/443028601.db2.gz CMWHBEVITRUERT-HNNXBMFYSA-N 0 0 344.419 1.288 10 30 EDEERN CCOc1ncccc1NC(=O)N1CCOC[C@H]1c1nnc(C)o1 ZINC000328637979 444407451 /nfs/dbraw/zinc/40/74/51/444407451.db2.gz WEUWMBRCKSFONR-LBPRGKRZSA-N 0 0 333.348 1.791 10 30 EDEERN Cc1nnc([C@H]2COCCN2C(=O)[C@H](C)Oc2cccc(C#N)c2)o1 ZINC000328611146 444393065 /nfs/dbraw/zinc/39/30/65/444393065.db2.gz KOLTVBHLIMTUMU-XHDPSFHLSA-N 0 0 342.355 1.617 10 30 EDEERN C=C(C)COCCNC(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000131285876 526641228 /nfs/dbraw/zinc/64/12/28/526641228.db2.gz RYAVHTKMPGFGLF-CQSZACIVSA-N 0 0 348.451 1.379 10 30 EDEERN C#CCN(CC)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1 ZINC000164808199 526894522 /nfs/dbraw/zinc/89/45/22/526894522.db2.gz QSSSWPJWWBURBT-UHFFFAOYSA-N 0 0 345.218 1.192 10 30 EDEERN C=CCCCN(C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000173567300 527186275 /nfs/dbraw/zinc/18/62/75/527186275.db2.gz YFOVWDTYEDREBZ-AWEZNQCLSA-N 0 0 333.436 1.832 10 30 EDEERN C=C(Br)CNC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000175454646 697753301 /nfs/dbraw/zinc/75/33/01/697753301.db2.gz DNLKJCIKNZUHTN-VIFPVBQESA-N 0 0 330.186 1.105 10 30 EDEERN Cc1cc(N2CCC[C@H](NC(=O)c3sccc3C#N)C2=O)n(C)n1 ZINC000174991943 231360982 /nfs/dbraw/zinc/36/09/82/231360982.db2.gz RMTTWWSXSJLOLF-LBPRGKRZSA-N 0 0 343.412 1.587 10 30 EDEERN CC(C)N1C[C@@H](C(=O)Nc2ccc(C(=O)NCC#N)cc2)CC1=O ZINC000020369844 202040001 /nfs/dbraw/zinc/04/00/01/202040001.db2.gz NQRXNJAUUOLZPM-ZDUSSCGKSA-N 0 0 328.372 1.135 10 30 EDEERN N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000112650533 138309534 /nfs/dbraw/zinc/30/95/34/138309534.db2.gz GVQRRHHTGLACHP-OAHLLOKOSA-N 0 0 339.399 1.830 10 30 EDEERN C[C@@H](NC(=O)c1ccco1)C(=O)N(CCC#N)Cc1ccccn1 ZINC000103439736 237048270 /nfs/dbraw/zinc/04/82/70/237048270.db2.gz NKGAZCWANDPBBU-CYBMUJFWSA-N 0 0 326.356 1.735 10 30 EDEERN CC1CCN(S(=O)(=O)NCc2cc(C#CCO)cs2)CC1 ZINC000071323089 202344175 /nfs/dbraw/zinc/34/41/75/202344175.db2.gz KELDUSKODFUJOK-UHFFFAOYSA-N 0 0 328.459 1.158 10 30 EDEERN C/C(=N\NC(=S)NNC(=S)Nc1ccccn1)c1ccccn1 ZINC000013650686 201365631 /nfs/dbraw/zinc/36/56/31/201365631.db2.gz UPIRIEKBQVFKPR-VCHYOVAHSA-N 0 0 345.457 1.566 10 30 EDEERN C[C@H](CN1C(=O)c2ccc(N(C)C)cc2[C@@H]1C#N)CN1CCOCC1 ZINC000071679206 203102721 /nfs/dbraw/zinc/10/27/21/203102721.db2.gz KGNOUMPNQBUDFZ-KSSFIOAISA-N 0 0 342.443 1.741 10 30 EDEERN C#CCNC(=O)[C@@H](C)Nc1ccc(I)cc1 ZINC000020365249 212122271 /nfs/dbraw/zinc/12/22/71/212122271.db2.gz RPGVSESBRPRNOB-SECBINFHSA-N 0 0 328.153 1.841 10 30 EDEERN CCn1cnnc1C1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000155428412 205013951 /nfs/dbraw/zinc/01/39/51/205013951.db2.gz RRXGNHUCQUNYAQ-UHFFFAOYSA-N 0 0 338.415 1.988 10 30 EDEERN CCc1nnc([C@H]2CN(C(=O)c3ccc(C#N)cc3C)CCO2)[nH]1 ZINC000126130863 205041726 /nfs/dbraw/zinc/04/17/26/205041726.db2.gz XUYIITBLEFMELF-CQSZACIVSA-N 0 0 325.372 1.761 10 30 EDEERN C[C@@H]1CN(S(=O)(=O)c2ccc(C#CCO)cc2Cl)CCS1 ZINC000137318778 223690694 /nfs/dbraw/zinc/69/06/94/223690694.db2.gz ZXQRJFQRGBGDFD-LLVKDONJSA-N 0 0 345.873 1.810 10 30 EDEERN O=S(=O)(NCc1sccc1C#CCO)c1ccc(F)cc1 ZINC000148717446 223724907 /nfs/dbraw/zinc/72/49/07/223724907.db2.gz PYFADLFUFLVSMX-UHFFFAOYSA-N 0 0 325.386 1.710 10 30 EDEERN CC[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CCN1CCOC ZINC000246896043 139126072 /nfs/dbraw/zinc/12/60/72/139126072.db2.gz ABWQXALNXGDOEW-RDJZCZTQSA-N 0 0 345.443 1.895 10 30 EDEERN N#CC1(c2ccccc2)CCN(C(=O)CN2C(=O)CCNC2=O)CC1 ZINC000095499457 218415125 /nfs/dbraw/zinc/41/51/25/218415125.db2.gz ZGEXOWVFHNSTKY-UHFFFAOYSA-N 0 0 340.383 1.012 10 30 EDEERN C=CCCOCCNC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000122713662 222142681 /nfs/dbraw/zinc/14/26/81/222142681.db2.gz CIZYVYHQNRKFCU-INIZCTEOSA-N 0 0 335.452 1.909 10 30 EDEERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(C#N)cn3)CCO2)n1 ZINC000110899498 272924118 /nfs/dbraw/zinc/92/41/18/272924118.db2.gz BYAZZATVYNRGDM-HNNXBMFYSA-N 0 0 325.372 1.308 10 30 EDEERN CCOCCN1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@H]1CC ZINC000150768468 276323989 /nfs/dbraw/zinc/32/39/89/276323989.db2.gz RXYDDSFTZMGJGM-CQSZACIVSA-N 0 0 333.392 1.799 10 30 EDEERN COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)O[C@@H](CC(C)=O)C[C@@H]3O ZINC000005159769 440938972 /nfs/dbraw/zinc/93/89/72/440938972.db2.gz XCCPWOLOVUKRKJ-YUMQZZPRSA-N 0 0 348.307 1.171 10 30 EDEERN C[NH+](C)C[C@@H]1CN(CC(=O)Nc2ccccc2SCC#N)CCO1 ZINC000173338922 441717394 /nfs/dbraw/zinc/71/73/94/441717394.db2.gz RZHBOEHONOQBMZ-CQSZACIVSA-N 0 0 348.472 1.503 10 30 EDEERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)cn1 ZINC000116371223 441816660 /nfs/dbraw/zinc/81/66/60/441816660.db2.gz PHOGUYSARSMQTH-NSHDSACASA-N 0 0 334.376 1.609 10 30 EDEERN C[NH+](C)C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CCO1 ZINC000173700775 441827500 /nfs/dbraw/zinc/82/75/00/441827500.db2.gz DTBCUALFRXZQNG-OAHLLOKOSA-N 0 0 327.388 1.371 10 30 EDEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1ccc(C#N)cc1 ZINC000154975064 442367982 /nfs/dbraw/zinc/36/79/82/442367982.db2.gz BRUGCTQHFYNUJZ-HNNXBMFYSA-N 0 0 339.399 1.880 10 30 EDEERN CCCCOC[C@@H](O)Cn1cc(C)n(-c2ccc(C#N)cc2)c1=O ZINC000193384963 442737919 /nfs/dbraw/zinc/73/79/19/442737919.db2.gz NOUXZGBTXJHUNP-KRWDZBQOSA-N 0 0 329.400 1.997 10 30 EDEERN C=CCc1cc(C(=O)N2CCCNC(=O)[C@H]2C)cc(OC)c1OC ZINC000188847545 442827356 /nfs/dbraw/zinc/82/73/56/442827356.db2.gz WFCBMBCLSZTPNX-GFCCVEGCSA-N 0 0 332.400 1.783 10 30 EDEERN C=CCn1c(C)cc(C(=O)CN2CCN(C[C@H](C)O)[C@H](C)C2)c1C ZINC000247870019 442871131 /nfs/dbraw/zinc/87/11/31/442871131.db2.gz XKINDCJWEZFKDS-CVEARBPZSA-N 0 0 333.476 1.861 10 30 EDEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CN(C)CCO1 ZINC000194604977 442921826 /nfs/dbraw/zinc/92/18/26/442921826.db2.gz VMTQLBPWTLLOLX-DOTOQJQBSA-N 0 0 331.416 1.408 10 30 EDEERN CCN(C[C@H](C)C#N)C(=O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000249710153 443000525 /nfs/dbraw/zinc/00/05/25/443000525.db2.gz DCMKVIMUSYKOEH-FPCVCCKLSA-N 0 0 335.448 1.801 10 30 EDEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000184908292 443096265 /nfs/dbraw/zinc/09/62/65/443096265.db2.gz RZFOJUAPZCGSJU-KBPBESRZSA-N 0 0 330.384 1.304 10 30 EDEERN COc1ccc(Br)cc1CN=Nc1nnc(C)n1N ZINC000254495180 443076376 /nfs/dbraw/zinc/07/63/76/443076376.db2.gz JQHGRPITSKIMBZ-UHFFFAOYSA-N 0 0 325.170 1.517 10 30 EDEERN Cc1noc([C@H]2COCCN2CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000185085395 443133770 /nfs/dbraw/zinc/13/37/70/443133770.db2.gz CJOVKQIAEVKAKG-OAHLLOKOSA-N 0 0 341.371 1.652 10 30 EDEERN N#Cc1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CCCC[C@@H]1CCO ZINC000256047996 443115413 /nfs/dbraw/zinc/11/54/13/443115413.db2.gz PYURUAICUKHNGS-GFCCVEGCSA-N 0 0 342.359 1.788 10 30 EDEERN CCN(c1nn(-c2ccccc2C)nc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000256048348 443115956 /nfs/dbraw/zinc/11/59/56/443115956.db2.gz SJLOQLFUKGGLAU-CYBMUJFWSA-N 0 0 345.428 1.461 10 30 EDEERN CCOc1ncccc1NC(=O)N1CCOC[C@@H]1c1nnc(C)o1 ZINC000328637978 444407561 /nfs/dbraw/zinc/40/75/61/444407561.db2.gz WEUWMBRCKSFONR-GFCCVEGCSA-N 0 0 333.348 1.791 10 30 EDEERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1nccs1)[C@@]1(O)CCSC1 ZINC000328640723 444409101 /nfs/dbraw/zinc/40/91/01/444409101.db2.gz QCIHVVYSSYYSIL-COPLHBTASA-N 0 0 345.465 1.880 10 30 EDEERN Cc1nnc(N2C[C@@H](F)C[C@H]2CNc2nnc(C)c(C)c2C#N)o1 ZINC000583621837 448453580 /nfs/dbraw/zinc/45/35/80/448453580.db2.gz ACQUVRCMFUWDMI-RYUDHWBXSA-N 0 0 331.355 1.685 10 30 EDEERN Cc1[nH]c(=O)c(C(=O)NCCC#N)cc1I ZINC000584632335 448587364 /nfs/dbraw/zinc/58/73/64/448587364.db2.gz KVVRCNHXECNZGF-UHFFFAOYSA-N 0 0 331.113 1.344 10 30 EDEERN Cc1ccc([C@@H]2C(=O)C3=C(O[C@H](NCCN(C)C)C=N3)C2=O)cc1F ZINC000584654737 448589972 /nfs/dbraw/zinc/58/99/72/448589972.db2.gz AZBNSLJCQYXAPI-UONOGXRCSA-N 0 0 345.374 1.159 10 30 EDEERN N#Cc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2)cc1 ZINC000616603871 450455650 /nfs/dbraw/zinc/45/56/50/450455650.db2.gz RODOTGMFAXTYOT-KRWDZBQOSA-N 0 0 327.409 1.893 10 30 EDEERN C=CCOCCCC(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000173353745 526733163 /nfs/dbraw/zinc/73/31/63/526733163.db2.gz PEYGCQHBDVTMOS-AWEZNQCLSA-N 0 0 336.436 1.820 10 30 EDEERN C=CCC(CC=C)C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000092517596 527031201 /nfs/dbraw/zinc/03/12/01/527031201.db2.gz ORDSTZTWSKUTJE-HOTGVXAUSA-N 0 0 334.372 1.874 10 30 EDEERN C#CCOCCC(=O)N1CCCN(Cc2cnn(CCC)c2)CC1 ZINC000131852991 527064166 /nfs/dbraw/zinc/06/41/66/527064166.db2.gz HXGXDJZMXCZFGM-UHFFFAOYSA-N 0 0 332.448 1.367 10 30 EDEERN CCN(CCC#N)C(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105807207 528356963 /nfs/dbraw/zinc/35/69/63/528356963.db2.gz PQUKRERWWRFPNN-UHFFFAOYSA-N 0 0 330.436 1.139 10 30 EDEERN Cc1ocnc1C(=O)NC[C@@H]1CN(c2cccc(C#N)n2)CCCO1 ZINC000888103562 591031121 /nfs/dbraw/zinc/03/11/21/591031121.db2.gz MYFLYKCJONFARP-CQSZACIVSA-N 0 0 341.371 1.275 10 30 EDEERN CCOCCN1CCN(C(=O)c2ccccc2OCC#N)C[C@@H]1C ZINC000117279605 595605477 /nfs/dbraw/zinc/60/54/77/595605477.db2.gz ORVUSRMOBLKLOV-HNNXBMFYSA-N 0 0 331.416 1.772 10 30 EDEERN N#Cc1cccc(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000130276023 598078429 /nfs/dbraw/zinc/07/84/29/598078429.db2.gz FVQLXUCUTIJELG-JKSUJKDBSA-N 0 0 341.323 1.291 10 30 EDEERN Cc1nnc([C@@H]2CN(CC(=O)Nc3oc(C)c(C)c3C#N)CCO2)[nH]1 ZINC000173677432 231003053 /nfs/dbraw/zinc/00/30/53/231003053.db2.gz JFIHNWOCTUAUIB-ZDUSSCGKSA-N 0 0 344.375 1.207 10 30 EDEERN CCc1nc(C2(NCC(=O)N(CC)C[C@H](C)C#N)CCCC2)no1 ZINC000173697945 529731129 /nfs/dbraw/zinc/73/11/29/529731129.db2.gz POXDIEFABYZPQL-CYBMUJFWSA-N 0 0 333.436 1.999 10 30 EDEERN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1nc[nH]n1 ZINC000023142930 202099045 /nfs/dbraw/zinc/09/90/45/202099045.db2.gz BHYIRTHOUOFSPK-SECBINFHSA-N 0 0 329.407 1.457 10 30 EDEERN C[C@H](O)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 ZINC000091224222 138283154 /nfs/dbraw/zinc/28/31/54/138283154.db2.gz BXPWFZWFQJLQHM-NSHDSACASA-N 0 0 347.419 1.068 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000132705797 138381447 /nfs/dbraw/zinc/38/14/47/138381447.db2.gz WUYJDUKTTQXLDP-OAHLLOKOSA-N 0 0 329.381 1.795 10 30 EDEERN C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(Br)cn1 ZINC000071531008 215784483 /nfs/dbraw/zinc/78/44/83/215784483.db2.gz ORHOBGAKRZBPNF-QMMMGPOBSA-N 0 0 333.207 1.772 10 30 EDEERN N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)n1 ZINC000124917332 237159239 /nfs/dbraw/zinc/15/92/39/237159239.db2.gz JVNSAPFCGOIHQI-LBPRGKRZSA-N 0 0 327.344 1.692 10 30 EDEERN Cc1nnc([C@@H]2CN(C(=O)Cc3ccc(OCC#N)cc3)CCO2)[nH]1 ZINC000173518801 237260340 /nfs/dbraw/zinc/26/03/40/237260340.db2.gz MPGSPMDKUQDBRH-HNNXBMFYSA-N 0 0 341.371 1.158 10 30 EDEERN O=S(=O)(NCc1cc(C#CCO)cs1)c1ccc(F)cc1 ZINC000071323191 202343495 /nfs/dbraw/zinc/34/34/95/202343495.db2.gz YMGYQHPPMMTOTP-UHFFFAOYSA-N 0 0 325.386 1.710 10 30 EDEERN CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C ZINC000003870421 201359938 /nfs/dbraw/zinc/35/99/38/201359938.db2.gz MOPRTFSMCQNUCT-HUUCEWRRSA-N 0 0 349.431 1.018 10 30 EDEERN N=C(NOC(=O)c1ccc(C#Cc2ccccc2)o1)c1cnccn1 ZINC000004363335 201598900 /nfs/dbraw/zinc/59/89/00/201598900.db2.gz CLEZDTMGSYJBFA-UHFFFAOYSA-N 0 0 332.319 1.947 10 30 EDEERN COC(=O)CCN1C(=O)c2cc(OC)c(OC)c(OC)c2C1C#N ZINC000071682266 203101921 /nfs/dbraw/zinc/10/19/21/203101921.db2.gz KVXOXSAPFWPJCB-JTQLQIEISA-N 0 0 334.328 1.296 10 30 EDEERN CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2cc(C#N)ccn2)C1 ZINC000095083149 203711529 /nfs/dbraw/zinc/71/15/29/203711529.db2.gz OSEXVJPGZZVKKH-LBPRGKRZSA-N 0 0 337.401 1.736 10 30 EDEERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000106368222 204192270 /nfs/dbraw/zinc/19/22/70/204192270.db2.gz MYQLXVLFDGAHFJ-CQSZACIVSA-N 0 0 345.428 1.738 10 30 EDEERN COC(=O)N[C@@H](C(=O)N1CCN(c2ccccc2C#N)CC1)C(C)C ZINC000108165369 204255691 /nfs/dbraw/zinc/25/56/91/204255691.db2.gz HNLUOFGTJMHSCL-MRXNPFEDSA-N 0 0 344.415 1.587 10 30 EDEERN Cn1cc([C@H]2CCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)cn1 ZINC000156760554 205121965 /nfs/dbraw/zinc/12/19/65/205121965.db2.gz SGVWSWGGFHATSS-HNNXBMFYSA-N 0 0 344.440 1.555 10 30 EDEERN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCc2ncnn2C1 ZINC000157538891 205221874 /nfs/dbraw/zinc/22/18/74/205221874.db2.gz AVDDJEIPYQGNEM-SECBINFHSA-N 0 0 337.792 1.096 10 30 EDEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247237783 139141830 /nfs/dbraw/zinc/14/18/30/139141830.db2.gz RWOSFFRFDCUYGW-WMLDXEAASA-N 0 0 339.399 1.483 10 30 EDEERN N#C[C@@]1([C@H](O)c2cncc(Br)c2)CCS(=O)(=O)C1 ZINC000166735086 206532954 /nfs/dbraw/zinc/53/29/54/206532954.db2.gz LAFNCRVPCHCHDO-MNOVXSKESA-N 0 0 331.191 1.206 10 30 EDEERN CCn1cc(Br)c(=O)c(NC(=O)[C@H]2CCC(=O)N2C)c1 ZINC000329382179 249839880 /nfs/dbraw/zinc/83/98/80/249839880.db2.gz OHKFBZMDUFZEOM-SNVBAGLBSA-N 0 0 342.193 1.840 10 30 EDEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1ccccc1C#N ZINC000177704236 207379872 /nfs/dbraw/zinc/37/98/72/207379872.db2.gz GLMXGPLEMNINQV-HVHJFMEUSA-N 0 0 337.383 1.961 10 30 EDEERN N#Cc1ccc(OC2CN(S(=O)(=O)C[C@H]3CCCCO3)C2)cc1 ZINC000119419974 221315573 /nfs/dbraw/zinc/31/55/73/221315573.db2.gz UZIPTQXAEDMJCT-OAHLLOKOSA-N 0 0 336.413 1.520 10 30 EDEERN COC(=O)c1cn(C2CCN(c3ccc(F)cc3C#N)CC2)nn1 ZINC000273509634 268055606 /nfs/dbraw/zinc/05/56/06/268055606.db2.gz PVAZHSAJZDPYGO-UHFFFAOYSA-N 0 0 329.335 1.917 10 30 EDEERN O=[N+]([O-])c1ccc(S(=O)(=O)OCCn2cnc3ccccc32)cc1 ZINC000005934926 440974923 /nfs/dbraw/zinc/97/49/23/440974923.db2.gz HKZPKZKTFUYWHT-UHFFFAOYSA-O 0 0 348.360 1.769 10 30 EDEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(OCC#N)cc1 ZINC000081589727 441295060 /nfs/dbraw/zinc/29/50/60/441295060.db2.gz VGBAPUIHOBICEN-HNNXBMFYSA-N 0 0 325.372 1.683 10 30 EDEERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCC#Cc1ccccc1 ZINC000042062737 441700861 /nfs/dbraw/zinc/70/08/61/441700861.db2.gz GHILVNOCAKGDEK-INIZCTEOSA-N 0 0 334.441 1.359 10 30 EDEERN C#CCSCCNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000121466981 441712124 /nfs/dbraw/zinc/71/21/24/441712124.db2.gz PVSJXOTVFAZZOH-OAHLLOKOSA-N 0 0 336.461 1.277 10 30 EDEERN Cc1cccc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)c1C#N ZINC000123508323 441889700 /nfs/dbraw/zinc/88/97/00/441889700.db2.gz XXRIYSLCYAGXIW-ZDUSSCGKSA-N 0 0 331.401 1.484 10 30 EDEERN CCOCC[N@@H+]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@@H]1C ZINC000120876548 442145107 /nfs/dbraw/zinc/14/51/07/442145107.db2.gz PEMLABKIADJCKF-HNNXBMFYSA-N 0 0 327.432 1.749 10 30 EDEERN COc1ccc(CN2CCCN(Cc3noc(C)n3)CC2)cc1C#N ZINC000127924499 442233748 /nfs/dbraw/zinc/23/37/48/442233748.db2.gz ZBPJKUSEQFOYGZ-UHFFFAOYSA-N 0 0 341.415 1.966 10 30 EDEERN CCc1nnc([C@@H]2CN(c3nccc(C#N)c3[N+](=O)[O-])CCO2)[nH]1 ZINC000131550930 442374515 /nfs/dbraw/zinc/37/45/15/442374515.db2.gz MCDYUHUYNNMVEV-JTQLQIEISA-N 0 0 329.320 1.120 10 30 EDEERN C=CCN(CCOC)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000191976361 442552054 /nfs/dbraw/zinc/55/20/54/442552054.db2.gz MSGNZJMTRNCKNT-QWHCGFSZSA-N 0 0 330.400 1.995 10 30 EDEERN C=CCCOCCNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000178924252 442526626 /nfs/dbraw/zinc/52/66/26/442526626.db2.gz NBZRCUHFMWNSDV-CQSZACIVSA-N 0 0 338.429 1.797 10 30 EDEERN C=CCn1c(C)cc(C(=O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1C ZINC000247870026 442871311 /nfs/dbraw/zinc/87/13/11/442871311.db2.gz XKINDCJWEZFKDS-JKSUJKDBSA-N 0 0 333.476 1.861 10 30 EDEERN CC[C@H](O)CN1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 ZINC000181850520 318491473 /nfs/dbraw/zinc/49/14/73/318491473.db2.gz OSQRJXGABATZDE-INIZCTEOSA-N 0 0 346.431 1.035 10 30 EDEERN C#CCNC(=O)[C@@H](C)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000249916042 443008144 /nfs/dbraw/zinc/00/81/44/443008144.db2.gz XJRNMBVAOANHCR-CHWSQXEVSA-N 0 0 335.473 1.952 10 30 EDEERN Cc1noc([C@H]2COCCN2CC(=O)NC2(C#N)CCCCC2)n1 ZINC000185078898 443131842 /nfs/dbraw/zinc/13/18/42/443131842.db2.gz RMBSBKGENKPNHE-CYBMUJFWSA-N 0 0 333.392 1.094 10 30 EDEERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)C1(C#N)CCCC1 ZINC000328629669 444402802 /nfs/dbraw/zinc/40/28/02/444402802.db2.gz IMFXUOQFMBNEQR-HOTGVXAUSA-N 0 0 345.422 1.931 10 30 EDEERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)Nc1cccnc1 ZINC000328635819 444406538 /nfs/dbraw/zinc/40/65/38/444406538.db2.gz NQFGDUWRXSSEEM-HOCLYGCPSA-N 0 0 344.394 1.962 10 30 EDEERN NC(=O)C1=CC(Br)=C(C(F)(F)F)N[C@H]1OCCC=O ZINC000584632993 448587987 /nfs/dbraw/zinc/58/79/87/448587987.db2.gz PZZHULFIPYLALU-VIFPVBQESA-N 0 0 343.099 1.102 10 30 EDEERN NC(=O)C1=CC(Br)=C(C(F)(F)F)N[C@@H]1OCCC=O ZINC000584632991 448588145 /nfs/dbraw/zinc/58/81/45/448588145.db2.gz PZZHULFIPYLALU-SECBINFHSA-N 0 0 343.099 1.102 10 30 EDEERN N#Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1 ZINC000616654131 450457814 /nfs/dbraw/zinc/45/78/14/450457814.db2.gz MLONFNZVLOHOED-QGZVFWFLSA-N 0 0 327.409 1.893 10 30 EDEERN C=CCN(CCO)S(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000135843036 526274510 /nfs/dbraw/zinc/27/45/10/526274510.db2.gz VQAYDBOVMZPBKG-UHFFFAOYSA-N 0 0 325.217 1.745 10 30 EDEERN C=CCN(CCO)S(=O)(=O)c1ccc(F)cc1Br ZINC000158727163 526275795 /nfs/dbraw/zinc/27/57/95/526275795.db2.gz OWTFPZYLQLZNBE-UHFFFAOYSA-N 0 0 338.198 1.757 10 30 EDEERN C/C(=N/NS(=O)(=O)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000056681427 214383815 /nfs/dbraw/zinc/38/38/15/214383815.db2.gz MZTQBIRLMKBSTO-UYRXBGFRSA-N 0 0 341.396 1.970 10 30 EDEERN C#CCOC[C@@H](O)CN(Cc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000253373672 539825244 /nfs/dbraw/zinc/82/52/44/539825244.db2.gz JUPFJRSWWAVBGL-DLBZAZTESA-N 0 0 339.382 1.957 10 30 EDEERN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)n1 ZINC000091244628 138283573 /nfs/dbraw/zinc/28/35/73/138283573.db2.gz WDYNBTZZYKNQQN-WCQYABFASA-N 0 0 347.419 1.116 10 30 EDEERN C=CCS(=O)(=O)CC(=O)Nc1cccc(C(=O)OCCC)c1 ZINC000071530487 215784765 /nfs/dbraw/zinc/78/47/65/215784765.db2.gz FPALXRDLINQIAH-UHFFFAOYSA-N 0 0 325.386 1.793 10 30 EDEERN Cc1nnc([C@H]2CN(C(=O)c3ccccc3OCC#N)CCO2)[nH]1 ZINC000173534501 237261473 /nfs/dbraw/zinc/26/14/73/237261473.db2.gz FLKUVUOFKDHUFP-CQSZACIVSA-N 0 0 327.344 1.229 10 30 EDEERN C=CCN(CC=C)C(=O)CS(=O)(=O)CC(=O)Nc1ccccc1 ZINC000031853677 212752794 /nfs/dbraw/zinc/75/27/94/212752794.db2.gz WUMQBRZOJROYBX-UHFFFAOYSA-N 0 0 336.413 1.241 10 30 EDEERN C=CCC[C@H](C[NH+]1CCC(C(=O)[O-])CC1)Oc1cc(OC)ncn1 ZINC000072419816 216209265 /nfs/dbraw/zinc/20/92/65/216209265.db2.gz OFSOKVUMOQBRIS-CQSZACIVSA-N 0 0 335.404 1.995 10 30 EDEERN CC(=O)Nc1ccc(-c2ccc(C=NN3C(=O)NC(=O)[C@@H]3O)o2)cc1 ZINC000001845255 201358970 /nfs/dbraw/zinc/35/89/70/201358970.db2.gz JZOPHUCDTLXNJP-IWAJPKQASA-N 0 0 342.311 1.949 10 30 EDEERN CCSCC[C@H](C)NS(=O)(=O)c1cncc(C#CCO)c1 ZINC000160696226 201413523 /nfs/dbraw/zinc/41/35/23/201413523.db2.gz PHJFEXSKBOYMIW-LBPRGKRZSA-N 0 0 328.459 1.235 10 30 EDEERN C[C@H](CNC(=O)c1ccc(C#CCCO)c(Cl)c1)[S@@](C)=O ZINC000166124345 201423603 /nfs/dbraw/zinc/42/36/03/201423603.db2.gz PMHGHGNOXORFNQ-FIKIJFGZSA-N 0 0 327.833 1.571 10 30 EDEERN Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3ccccc3C#N)n2)n1 ZINC000070874660 203083170 /nfs/dbraw/zinc/08/31/70/203083170.db2.gz ALKPIZBIBKFEBX-UHFFFAOYSA-N 0 0 348.366 1.556 10 30 EDEERN CCOC(=O)c1csc2ncn(CC(=O)N(C)CCC#N)c(=O)c12 ZINC000071526343 203098231 /nfs/dbraw/zinc/09/82/31/203098231.db2.gz HWHYRJYEXHKUIP-UHFFFAOYSA-N 0 0 348.384 1.007 10 30 EDEERN COc1cc2c(c(OC)c1OC)C(=O)N(C[C@H]1CCCO1)C2C#N ZINC000071682359 203102665 /nfs/dbraw/zinc/10/26/65/203102665.db2.gz ODOIMJKDCJITKF-PWSUYJOCSA-N 0 0 332.356 1.912 10 30 EDEERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3cccc(C#N)c3)CCO2)c1 ZINC000105891571 204176979 /nfs/dbraw/zinc/17/69/79/204176979.db2.gz WSBSYPCRCDAWJO-QGZVFWFLSA-N 0 0 339.399 1.403 10 30 EDEERN C[C@H](C(=O)Nc1ccn(CCC#N)n1)N1C(=O)c2ccccc2C1=O ZINC000117714488 204574745 /nfs/dbraw/zinc/57/47/45/204574745.db2.gz IMOKUVXZFNGKJZ-LLVKDONJSA-N 0 0 337.339 1.420 10 30 EDEERN C=CCn1ncc(N[C@H](C)C[S@](C)=O)c(Br)c1=O ZINC000158721220 205361144 /nfs/dbraw/zinc/36/11/44/205361144.db2.gz OFAMEIGTIDNTTD-NTCNTBNZSA-N 0 0 334.239 1.371 10 30 EDEERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccc(C#N)cc1F ZINC000158066228 206171941 /nfs/dbraw/zinc/17/19/41/206171941.db2.gz ZMMNVIPJSQEADB-ZDUSSCGKSA-N 0 0 340.376 1.807 10 30 EDEERN COCCN1C[C@H](C(=O)Nc2oc(C)c(C(C)=O)c2C#N)CC1=O ZINC000170500671 206577924 /nfs/dbraw/zinc/57/79/24/206577924.db2.gz PMIQJOVQBYKCHW-LLVKDONJSA-N 0 0 333.344 1.096 10 30 EDEERN C=C(C)CN(CC)C(=O)CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893414 441311174 /nfs/dbraw/zinc/31/11/74/441311174.db2.gz UXFAQNRTXGXRPC-KRWDZBQOSA-N 0 0 334.464 1.625 10 30 EDEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(C#N)cc1F ZINC000083720702 441370961 /nfs/dbraw/zinc/37/09/61/441370961.db2.gz MXBBBEQUVAAXMY-CQSZACIVSA-N 0 0 328.351 1.932 10 30 EDEERN C=CCOc1cccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000177391374 442335445 /nfs/dbraw/zinc/33/54/45/442335445.db2.gz JYURMNRYZZOBEM-MRXNPFEDSA-N 0 0 343.427 1.887 10 30 EDEERN O=C(CSC[C@@H](O)CO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000177447940 442342223 /nfs/dbraw/zinc/34/22/23/442342223.db2.gz IKSFOZXGKOHXSZ-ZDUSSCGKSA-N 0 0 347.358 1.260 10 30 EDEERN C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1N1CCOCC1 ZINC000177832940 442389580 /nfs/dbraw/zinc/38/95/80/442389580.db2.gz RBOVRPWDJHPJDB-LRDDRELGSA-N 0 0 332.379 1.882 10 30 EDEERN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000246332136 442772743 /nfs/dbraw/zinc/77/27/43/442772743.db2.gz DTKZXVHSXIOGBR-IAGOWNOFSA-N 0 0 340.383 1.370 10 30 EDEERN C=CCc1ccc(OCC(=O)NC[C@@H]2CN(C)CCO2)c(OC)c1 ZINC000194636442 442929283 /nfs/dbraw/zinc/92/92/83/442929283.db2.gz SQZWRMJWCRPUNT-OAHLLOKOSA-N 0 0 334.416 1.249 10 30 EDEERN CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(N)c1 ZINC000203905021 443047658 /nfs/dbraw/zinc/04/76/58/443047658.db2.gz DIUNVHVHEPPQQQ-UHFFFAOYSA-N 0 0 339.399 1.261 10 30 EDEERN N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)cn1 ZINC000184648892 443054549 /nfs/dbraw/zinc/05/45/49/443054549.db2.gz CLCKEMPWTZOFCC-ZFWWWQNUSA-N 0 0 340.387 1.812 10 30 EDEERN COc1cc(I)cc(C=NNCCC#N)c1O ZINC000254490492 443076783 /nfs/dbraw/zinc/07/67/83/443076783.db2.gz UGMFOHXWVZZJMU-UHFFFAOYSA-N 0 0 345.140 1.843 10 30 EDEERN CCOC(=O)CCCc1noc(CC#CC2CC2)c1S(C)(=O)=O ZINC000584641359 448588661 /nfs/dbraw/zinc/58/86/61/448588661.db2.gz WXPQWNNKWMDWIN-UHFFFAOYSA-N 0 0 339.413 1.920 10 30 EDEERN C[C@H]1Cn2ncc(N3C[C@@H](C#N)CC3=O)c2CN1C(=O)OC(C)(C)C ZINC000584641278 448588834 /nfs/dbraw/zinc/58/88/34/448588834.db2.gz CFTOUVVUOKRNTP-NWDGAFQWSA-N 0 0 345.403 1.899 10 30 EDEERN CN(C[C@H]1CN(C)CCO1)c1ncc(Br)cc1C#N ZINC000590689225 449247819 /nfs/dbraw/zinc/24/78/19/449247819.db2.gz MWMGKLNNWWABRW-GFCCVEGCSA-N 0 0 325.210 1.483 10 30 EDEERN N#Cc1ccc([C@@H]2CNCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000616605086 450455633 /nfs/dbraw/zinc/45/56/33/450455633.db2.gz RNJYXZBNTLZUPP-KRWDZBQOSA-N 0 0 327.409 1.893 10 30 EDEERN C=C(C)CN(CC)C(=O)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864165 526522199 /nfs/dbraw/zinc/52/21/99/526522199.db2.gz DAINXMRQEAOGCK-AWEZNQCLSA-N 0 0 335.452 1.481 10 30 EDEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864423 526541830 /nfs/dbraw/zinc/54/18/30/526541830.db2.gz LPTTWFGPBWPXNU-GJZGRUSLSA-N 0 0 349.479 1.870 10 30 EDEERN C=CCOc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1OC ZINC000174309731 526838893 /nfs/dbraw/zinc/83/88/93/526838893.db2.gz DGHPMBVAHIVAMD-HUUCEWRRSA-N 0 0 348.443 1.787 10 30 EDEERN C#CCSCCNC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000130071014 527147823 /nfs/dbraw/zinc/14/78/23/527147823.db2.gz RAMNWYVGRMXBGF-INIZCTEOSA-N 0 0 348.468 1.932 10 30 EDEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)COC)cc1 ZINC000103381259 527576758 /nfs/dbraw/zinc/57/67/58/527576758.db2.gz YKQPRRQUBQIDFR-LBPRGKRZSA-N 0 0 326.418 1.714 10 30 EDEERN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000121810239 596543693 /nfs/dbraw/zinc/54/36/93/596543693.db2.gz IMEIXKVKXAILTR-DAXOMENPSA-N 0 0 330.384 1.630 10 30 EDEERN COc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1OC ZINC000020259208 202037178 /nfs/dbraw/zinc/03/71/78/202037178.db2.gz NGEGGJKSGKTBNU-MHWRWJLKSA-N 0 0 336.369 1.722 10 30 EDEERN Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1N ZINC000020842383 202056438 /nfs/dbraw/zinc/05/64/38/202056438.db2.gz OPDXDNUBEJAWJY-UHFFFAOYSA-N 0 0 334.430 1.453 10 30 EDEERN N#CCOc1ccccc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000105811382 237067925 /nfs/dbraw/zinc/06/79/25/237067925.db2.gz DUJXVMZBUXRREW-UHFFFAOYSA-N 0 0 337.383 1.731 10 30 EDEERN CC#Cc1c(=O)[nH]c(=O)n(COCCO)c1Sc1ccccc1 ZINC000005853455 201362311 /nfs/dbraw/zinc/36/23/11/201362311.db2.gz NOHTUAUSWSCHDT-UHFFFAOYSA-N 0 0 332.381 1.026 10 30 EDEERN N#Cc1cnc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nc1N ZINC000067784430 202932891 /nfs/dbraw/zinc/93/28/91/202932891.db2.gz ILTBLWAQVRHRHF-UHFFFAOYSA-N 0 0 335.346 1.835 10 30 EDEERN COc1cc2c(c(OC)c1OC)C(C#N)N(CC(OC)OC)C2=O ZINC000071682271 203101916 /nfs/dbraw/zinc/10/19/16/203101916.db2.gz NZNUTZVRNJWBFP-SNVBAGLBSA-N 0 0 336.344 1.352 10 30 EDEERN C=CCNC(=O)CN1C(=O)C(=O)c2cc(F)cc(Br)c21 ZINC000042079125 204062391 /nfs/dbraw/zinc/06/23/91/204062391.db2.gz QGYQOLRMGCOMSB-UHFFFAOYSA-N 0 0 341.136 1.420 10 30 EDEERN N#Cc1cc(Cl)ccc1N1CCN(c2ccc3nncn3n2)CC1 ZINC000108947078 204274000 /nfs/dbraw/zinc/27/40/00/204274000.db2.gz ZBDMAKDZKYGKOV-UHFFFAOYSA-N 0 0 339.790 1.976 10 30 EDEERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccccc1C#N ZINC000126127817 205041821 /nfs/dbraw/zinc/04/18/21/205041821.db2.gz JHVKCWLKRKHSSA-LBPRGKRZSA-N 0 0 331.401 1.526 10 30 EDEERN C=CCn1ncc(NCC[S@@](=O)CC)c(Br)c1=O ZINC000158823998 205369855 /nfs/dbraw/zinc/36/98/55/205369855.db2.gz KJPPMDVRJFDBNP-GOSISDBHSA-N 0 0 334.239 1.372 10 30 EDEERN C[C@@H](O)CN(C)S(=O)(=O)c1ccc(C#CCCO)cc1Cl ZINC000051843276 205570369 /nfs/dbraw/zinc/57/03/69/205570369.db2.gz JXUHKGQNDIDYLE-LLVKDONJSA-N 0 0 331.821 1.075 10 30 EDEERN O=C(NCCC1CCOCC1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000329298291 249831778 /nfs/dbraw/zinc/83/17/78/249831778.db2.gz UFFWAEZQKMEAIS-UHFFFAOYSA-N 0 0 337.342 1.424 10 30 EDEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112648243 220362608 /nfs/dbraw/zinc/36/26/08/220362608.db2.gz GNXYYLKBERQHNH-RHSMWYFYSA-N 0 0 339.399 1.684 10 30 EDEERN C=CCOc1ccccc1CNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112750476 220396895 /nfs/dbraw/zinc/39/68/95/220396895.db2.gz PLOXPDGNSSTPED-CQSZACIVSA-N 0 0 327.388 1.657 10 30 EDEERN COCCN1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@H]1C ZINC000117292642 221045722 /nfs/dbraw/zinc/04/57/22/221045722.db2.gz JXDKGHOKHLHODN-OAHLLOKOSA-N 0 0 347.484 1.971 10 30 EDEERN C[C@@H](NC(N)=O)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000121443421 221844818 /nfs/dbraw/zinc/84/48/18/221844818.db2.gz NMBJLCBAGPAATO-SECBINFHSA-N 0 0 329.385 1.601 10 30 EDEERN CNC(=O)[C@H](NC(=O)NCCSCc1ccccc1C#N)C(C)C ZINC000178414744 267559679 /nfs/dbraw/zinc/55/96/79/267559679.db2.gz GICZVZIFOCGDOD-OAHLLOKOSA-N 0 0 348.472 1.861 10 30 EDEERN C[C@@H]1C[C@H](NC(=O)N2CC(O)(C3CC3)C2)C(=O)N1c1ccccc1 ZINC000329301701 288609125 /nfs/dbraw/zinc/60/91/25/288609125.db2.gz WJAWGENBKWCEGV-DOMZBBRYSA-N 0 0 329.400 1.551 10 30 EDEERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccccc2C#N)n1 ZINC000186344141 302852924 /nfs/dbraw/zinc/85/29/24/302852924.db2.gz IRXWNUJYHMENMX-LBPRGKRZSA-N 0 0 334.357 1.012 10 30 EDEERN COc1ccc([C@@H](C#N)CNC(=O)C(N)=O)cc1OC1CCCC1 ZINC000013896503 441168189 /nfs/dbraw/zinc/16/81/89/441168189.db2.gz GRTXJQJVFSDENZ-LBPRGKRZSA-N 0 0 331.372 1.225 10 30 EDEERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000173743658 441832302 /nfs/dbraw/zinc/83/23/02/441832302.db2.gz SQBBZYCZFQSGHJ-CQSZACIVSA-N 0 0 331.401 1.312 10 30 EDEERN C=CCCCC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000175703075 442108669 /nfs/dbraw/zinc/10/86/69/442108669.db2.gz UFLBNJIWEQNMJN-QGZVFWFLSA-N 0 0 332.444 1.927 10 30 EDEERN C=CCNC(=O)NC(=O)CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121220208 442193139 /nfs/dbraw/zinc/19/31/39/442193139.db2.gz GVFPCPDPWRUWSD-SMDDNHRTSA-N 0 0 339.342 1.084 10 30 EDEERN COC[C@@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000171527252 442354768 /nfs/dbraw/zinc/35/47/68/442354768.db2.gz BFMBYZYKBSUIKJ-CYBMUJFWSA-N 0 0 341.415 1.657 10 30 EDEERN CCc1noc([C@H](C)N2CCN(C(=O)NCCCCC#N)CC2)n1 ZINC000171921728 442390700 /nfs/dbraw/zinc/39/07/00/442390700.db2.gz VAYPIJRVZVSPNX-ZDUSSCGKSA-N 0 0 334.424 1.714 10 30 EDEERN N#CCc1cccc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000172349811 442448472 /nfs/dbraw/zinc/44/84/72/442448472.db2.gz FNXYGPDZIVRGSY-UHFFFAOYSA-N 0 0 347.382 1.153 10 30 EDEERN C=CCNC(=O)NC(=O)CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195510768 443025849 /nfs/dbraw/zinc/02/58/49/443025849.db2.gz PLGGTNSYGIDJDT-CYBMUJFWSA-N 0 0 346.435 1.153 10 30 EDEERN COCC(=O)N[C@H]1CCC12CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000257180171 443118671 /nfs/dbraw/zinc/11/86/71/443118671.db2.gz KFPCHDMZXZIPTG-INIZCTEOSA-N 0 0 341.411 1.706 10 30 EDEERN C=CCNC(=O)NC(=O)CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246593667 534861992 /nfs/dbraw/zinc/86/19/92/534861992.db2.gz GVFPCPDPWRUWSD-FZMZJTMJSA-N 0 0 339.342 1.084 10 30 EDEERN C#CCSCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000135496761 527148276 /nfs/dbraw/zinc/14/82/76/527148276.db2.gz MAVUXPIVTCZCAX-ZBFHGGJFSA-N 0 0 334.416 1.828 10 30 EDEERN C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)CCC)C2)c1 ZINC000102102665 527444771 /nfs/dbraw/zinc/44/47/71/527444771.db2.gz RXDTWDLTQHRMQN-MRXNPFEDSA-N 0 0 341.411 1.514 10 30 EDEERN CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCC(=O)N(C)CCC#N)C1 ZINC000888102956 591031513 /nfs/dbraw/zinc/03/15/13/591031513.db2.gz WQKJKAKBGLXNKS-CABCVRRESA-N 0 0 333.436 1.551 10 30 EDEERN C#CCSCCNC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000175218229 697704016 /nfs/dbraw/zinc/70/40/16/697704016.db2.gz MRSPWBMWOSMNNZ-ZDUSSCGKSA-N 0 0 348.476 1.153 10 30 EDEERN Cn1c(CN(c2ccc(C#N)cc2)S(C)(=O)=O)nnc1C1CC1 ZINC000181878345 234364811 /nfs/dbraw/zinc/36/48/11/234364811.db2.gz BOWTYQAIMADZOT-UHFFFAOYSA-N 0 0 331.401 1.530 10 30 EDEERN Cc1ccc(C#CCO)cc1S(=O)(=O)N1CCSC[C@@H]1C ZINC000070224227 215684219 /nfs/dbraw/zinc/68/42/19/215684219.db2.gz YGDADLHHVWBUET-ZDUSSCGKSA-N 0 0 325.455 1.465 10 30 EDEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000128432466 138621063 /nfs/dbraw/zinc/62/10/63/138621063.db2.gz VDHGRMSQTAIWME-ZDUSSCGKSA-N 0 0 325.372 1.438 10 30 EDEERN C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(N)c(Br)c1 ZINC000071385237 215766266 /nfs/dbraw/zinc/76/62/66/215766266.db2.gz FDCTUXWDVJOLMJ-QMMMGPOBSA-N 0 0 332.223 1.954 10 30 EDEERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc(CC#N)cc3)CCO2)[nH]1 ZINC000176982877 237368631 /nfs/dbraw/zinc/36/86/31/237368631.db2.gz XMLHALYQFSTOHH-AWEZNQCLSA-N 0 0 326.360 1.785 10 30 EDEERN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000246376736 139106123 /nfs/dbraw/zinc/10/61/23/139106123.db2.gz HVSAZAKQVHPBGT-HUUCEWRRSA-N 0 0 341.371 1.272 10 30 EDEERN C=CCOc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1OC ZINC000112663601 220368099 /nfs/dbraw/zinc/36/80/99/220368099.db2.gz GOLKCHNUOHHBKB-CYBMUJFWSA-N 0 0 328.372 1.596 10 30 EDEERN C[C@H](NC(=O)c1cccc(F)c1C#N)c1ccc(S(N)(=O)=O)cc1 ZINC000187464563 267178130 /nfs/dbraw/zinc/17/81/30/267178130.db2.gz MKYVEAPJWDQXKI-JTQLQIEISA-N 0 0 347.371 1.836 10 30 EDEERN C=CCOC(=O)c1ccc(-c2ccc(/C=N/n3nnnc3N)o2)cc1 ZINC000005725840 440966528 /nfs/dbraw/zinc/96/65/28/440966528.db2.gz RJHJJUKAXKSJDI-VCHYOVAHSA-N 0 0 338.327 1.740 10 30 EDEERN C=CCNC(=O)c1ccc(N2CCN(CC3CCCC3)C(=O)C2)nc1 ZINC000158354614 441728429 /nfs/dbraw/zinc/72/84/29/441728429.db2.gz HRIUSHYXDPFPPW-UHFFFAOYSA-N 0 0 342.443 1.836 10 30 EDEERN C=CCN(CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160541988 441894935 /nfs/dbraw/zinc/89/49/35/441894935.db2.gz QQNWRMGLDRCHQY-QGZVFWFLSA-N 0 0 340.464 1.933 10 30 EDEERN CC#CCOC(=O)C1=C(N)c2c(sc3c2CC[C@@H](O)C3)N[C@H]1C ZINC000095935521 441953399 /nfs/dbraw/zinc/95/33/99/441953399.db2.gz BJZPKZASHXIWOD-VHSXEESVSA-N 0 0 332.425 1.648 10 30 EDEERN C=CCCS(=O)(=O)N1CCCN(Cc2cnn(CCC)c2)CC1 ZINC000120897951 442149338 /nfs/dbraw/zinc/14/93/38/442149338.db2.gz LEPCZFATVDMCGC-UHFFFAOYSA-N 0 0 340.493 1.707 10 30 EDEERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)ncn1 ZINC000176063455 442169240 /nfs/dbraw/zinc/16/92/40/442169240.db2.gz BPQDYOPMWRISGZ-GFCCVEGCSA-N 0 0 325.376 1.117 10 30 EDEERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000176926946 442274835 /nfs/dbraw/zinc/27/48/35/442274835.db2.gz AUDCWZRONRFZDC-GFCCVEGCSA-N 0 0 340.387 1.297 10 30 EDEERN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000177057459 442291715 /nfs/dbraw/zinc/29/17/15/442291715.db2.gz DTKZXVHSXIOGBR-DLBZAZTESA-N 0 0 340.383 1.370 10 30 EDEERN C[C@H](SC[C@H](O)CO)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177434176 442341050 /nfs/dbraw/zinc/34/10/50/442341050.db2.gz RTMLQUZQQCIRNP-DTWKUNHWSA-N 0 0 326.443 1.522 10 30 EDEERN C=CCc1ccc(OCC(=O)N[C@@H](C(=O)NC)C(C)C)c(OC)c1 ZINC000178680810 442455760 /nfs/dbraw/zinc/45/57/60/442455760.db2.gz KZTFUXZCWQQTEK-QGZVFWFLSA-N 0 0 334.416 1.689 10 30 EDEERN N#Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1O ZINC000188253877 442729827 /nfs/dbraw/zinc/72/98/27/442729827.db2.gz BJDMKIYOTBRAFP-CQSZACIVSA-N 0 0 342.376 1.912 10 30 EDEERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)O1 ZINC000248699091 442919097 /nfs/dbraw/zinc/91/90/97/442919097.db2.gz DRRADLHEXWHIML-UHOFOFEASA-N 0 0 327.384 1.343 10 30 EDEERN O=C(CSc1nnc(NN=Cc2ccco2)[nH]1)Nc1ccccn1 ZINC000254752146 443077208 /nfs/dbraw/zinc/07/72/08/443077208.db2.gz IWMPZMHUGJGGRF-UHFFFAOYSA-N 0 0 343.372 1.970 10 30 EDEERN CCn1cc([C@H]2CN(CC(=O)NC3(C#N)CCCCC3)CCO2)cn1 ZINC000190821342 443189530 /nfs/dbraw/zinc/18/95/30/443189530.db2.gz BMXHLJVSFYLHJH-MRXNPFEDSA-N 0 0 345.447 1.619 10 30 EDEERN C=CC[C@@H](CO)NC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000185893139 443277073 /nfs/dbraw/zinc/27/70/73/443277073.db2.gz ILBRPTVFZMNQCB-BBRMVZONSA-N 0 0 334.416 1.503 10 30 EDEERN O=C(NC[C@@H]1C[C@H](F)CN1Cc1cncnc1)Nc1ccncc1 ZINC000328648089 444412796 /nfs/dbraw/zinc/41/27/96/444412796.db2.gz UKSBLSSPLJVCJI-ZFWWWQNUSA-N 0 0 330.367 1.232 10 30 EDEERN Cc1cncc(NC(=O)N2CC[C@@H](N(C)Cc3ncccn3)C2)c1 ZINC000328656906 444417315 /nfs/dbraw/zinc/41/73/15/444417315.db2.gz ZUAGMWMGQOFWMF-OAHLLOKOSA-N 0 0 326.404 1.932 10 30 EDEERN Cc1conc1[NH+]=C([O-])N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 ZINC000328603542 444391152 /nfs/dbraw/zinc/39/11/52/444391152.db2.gz GKCTWKBWGRNAOL-NWDGAFQWSA-N 0 0 348.407 2.312 10 30 EDEERN CCn1cc(O[C@@H]2CN(c3nc(C)c(C#N)cc3Cl)C[C@H]2O)cn1 ZINC000599112676 449743305 /nfs/dbraw/zinc/74/33/05/449743305.db2.gz BACXSOAUWOSKEI-HUUCEWRRSA-N 0 0 347.806 1.760 10 30 EDEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173984871 534257465 /nfs/dbraw/zinc/25/74/65/534257465.db2.gz IFJOBSYVQXHSQR-CQSZACIVSA-N 0 0 331.401 1.484 10 30 EDEERN C=CCSCCNC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000111844273 526989057 /nfs/dbraw/zinc/98/90/57/526989057.db2.gz RZDTYUYLSQYJEI-GFCCVEGCSA-N 0 0 339.465 1.685 10 30 EDEERN C=C(Br)CNC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112109654 596022093 /nfs/dbraw/zinc/02/20/93/596022093.db2.gz QIHZKBHSIDPRLB-LBPRGKRZSA-N 0 0 343.225 1.511 10 30 EDEERN C[C@H](C#N)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000125886230 597178625 /nfs/dbraw/zinc/17/86/25/597178625.db2.gz FELJTRDVOGWBLV-BRADTZPFSA-N 0 0 347.440 1.727 10 30 EDEERN N#Cc1ccsc1C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130154043 598060969 /nfs/dbraw/zinc/06/09/69/598060969.db2.gz YOVWPUMLPTUJGD-OLZOCXBDSA-N 0 0 347.352 1.352 10 30 EDEERN C#CCN[C@H](C(=O)OC)c1cc(Br)c2c(c1)OCCO2 ZINC000051963899 214109655 /nfs/dbraw/zinc/10/96/55/214109655.db2.gz NXILAWVGMHWQDJ-LBPRGKRZSA-N 0 0 340.173 1.657 10 30 EDEERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCO2)[nH]1 ZINC000173737440 529701027 /nfs/dbraw/zinc/70/10/27/529701027.db2.gz JPROFLPBTBBQOF-ZDUSSCGKSA-N 0 0 347.400 1.001 10 30 EDEERN CCOC[C@H](C)NS(=O)(=O)c1ccc(C#CCO)cc1Cl ZINC000044682478 213640670 /nfs/dbraw/zinc/64/06/70/213640670.db2.gz DAWOOZGYPSKVRS-NSHDSACASA-N 0 0 331.821 1.387 10 30 EDEERN CC(=O)Nc1ccc(NC(=O)Cn2c(N)nnc2SCC#N)cc1 ZINC000001923395 209804777 /nfs/dbraw/zinc/80/47/77/209804777.db2.gz FSWGVYYSMLBPTJ-UHFFFAOYSA-N 0 0 345.388 1.073 10 30 EDEERN C[C@@H](NS(=O)(=O)CCCC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000104108945 237057718 /nfs/dbraw/zinc/05/77/18/237057718.db2.gz XLEAGHRZRDCIRM-LLVKDONJSA-N 0 0 330.431 1.374 10 30 EDEERN Cc1nnc([C@H]2CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)[nH]1 ZINC000128711063 237195049 /nfs/dbraw/zinc/19/50/49/237195049.db2.gz OCXFYVFUORRSDO-OAHLLOKOSA-N 0 0 341.371 1.158 10 30 EDEERN CCC[C@H]1CNCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000261615545 283982186 /nfs/dbraw/zinc/98/21/86/283982186.db2.gz AVUPZTFRGZVAPD-LBPRGKRZSA-N 0 0 327.837 1.974 10 30 EDEERN C[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000194835979 139001126 /nfs/dbraw/zinc/00/11/26/139001126.db2.gz CSYRQOMBHAGBBP-GFCCVEGCSA-N 0 0 343.408 1.626 10 30 EDEERN N#Cc1cc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)ccc1F ZINC000119480388 221330312 /nfs/dbraw/zinc/33/03/12/221330312.db2.gz OLDNBYHKKGJOCD-UHFFFAOYSA-N 0 0 341.346 1.765 10 30 EDEERN Cn1cc(C#N)cc1C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000328637730 258025057 /nfs/dbraw/zinc/02/50/57/258025057.db2.gz OTGKOJUKOSHZEY-STQMWFEESA-N 0 0 328.351 1.034 10 30 EDEERN C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1nnc2n1CCCC2 ZINC000121710776 221912089 /nfs/dbraw/zinc/91/20/89/221912089.db2.gz BVFHRXPJSLRALS-SNVBAGLBSA-N 0 0 349.391 1.665 10 30 EDEERN C=CCCOCCNC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000122559159 222112248 /nfs/dbraw/zinc/11/22/48/222112248.db2.gz VDMLRURUTIOAHT-UHFFFAOYSA-N 0 0 338.477 1.871 10 30 EDEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@@H]3COCCO3)C2)n1 ZINC000329916464 267373770 /nfs/dbraw/zinc/37/37/70/267373770.db2.gz QHRJPINFTNKXRZ-JKSUJKDBSA-N 0 0 344.415 1.850 10 30 EDEERN O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C/c2ccc(O)cc2O)c1 ZINC000006786506 441013667 /nfs/dbraw/zinc/01/36/67/441013667.db2.gz TVQUFWKBMFCFHV-RIYZIHGNSA-N 0 0 337.313 1.318 10 30 EDEERN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104798961 441210548 /nfs/dbraw/zinc/21/05/48/441210548.db2.gz CDRFLMHZORRXEY-QGZVFWFLSA-N 0 0 330.432 1.810 10 30 EDEERN CCOCCN1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C ZINC000105835141 441287123 /nfs/dbraw/zinc/28/71/23/441287123.db2.gz NCOSVPHIJAQELX-ZDUSSCGKSA-N 0 0 348.447 1.749 10 30 EDEERN Cc1nc2c(cnn2C)c(N2CCN(C[C@H](C#N)CCC#N)CC2)n1 ZINC000105903792 441315157 /nfs/dbraw/zinc/31/51/57/441315157.db2.gz VXSGKQKPINHJSE-AWEZNQCLSA-N 0 0 338.419 1.237 10 30 EDEERN C[C@@H](COCc1ccccc1)NS(=O)(=O)c1ccc(C#N)nc1 ZINC000173794167 441841525 /nfs/dbraw/zinc/84/15/25/441841525.db2.gz XAWWELVSVKIKHD-ZDUSSCGKSA-N 0 0 331.397 1.837 10 30 EDEERN C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)C[C@H]1N1CCOCC1 ZINC000173884447 441856359 /nfs/dbraw/zinc/85/63/59/441856359.db2.gz YZBAIUCDGIDGEV-YOBDTOFLSA-N 0 0 325.412 1.751 10 30 EDEERN Cn1nccc1C1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000119944483 441980945 /nfs/dbraw/zinc/98/09/45/441980945.db2.gz DZSLTCCKWXBLPB-UHFFFAOYSA-N 0 0 337.379 1.907 10 30 EDEERN CC(C)[N@@H+]1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000125758479 442045601 /nfs/dbraw/zinc/04/56/01/442045601.db2.gz DTFMPSWZSBHDPU-YGRLFVJLSA-N 0 0 343.399 1.843 10 30 EDEERN Cc1nnc([C@@H]2CN(C(=O)NCc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000175366085 442049759 /nfs/dbraw/zinc/04/97/59/442049759.db2.gz CNIRFWUCFSWTBV-AWEZNQCLSA-N 0 0 326.360 1.268 10 30 EDEERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(C)c1C#N ZINC000126124793 442081170 /nfs/dbraw/zinc/08/11/70/442081170.db2.gz NNRNEFYRHATAAX-CYBMUJFWSA-N 0 0 345.428 1.834 10 30 EDEERN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC#N ZINC000126795342 442144195 /nfs/dbraw/zinc/14/41/95/442144195.db2.gz IQCVHOVDCNQXBX-GFCCVEGCSA-N 0 0 338.751 1.642 10 30 EDEERN CC[C@@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000177054803 442291328 /nfs/dbraw/zinc/29/13/28/442291328.db2.gz LECYJJSFTPHXHO-MSOLQXFVSA-N 0 0 345.443 1.815 10 30 EDEERN CN1C(=O)CC[C@@H](C(=O)N2CC(O)(CC#N)C2)[C@H]1c1ccccc1 ZINC000193985990 442824797 /nfs/dbraw/zinc/82/47/97/442824797.db2.gz AACBKOSQUVDBMF-GDBMZVCRSA-N 0 0 327.384 1.083 10 30 EDEERN C=CCNc1ncc(C(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)s1 ZINC000248486544 442896640 /nfs/dbraw/zinc/89/66/40/442896640.db2.gz LHJDQHUXPZGMRO-STQMWFEESA-N 0 0 338.477 1.658 10 30 EDEERN C=CCN(CCOC)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000189377813 442932911 /nfs/dbraw/zinc/93/29/11/442932911.db2.gz LPFAUBITEWVYQT-CQSZACIVSA-N 0 0 349.435 1.068 10 30 EDEERN C#CCNC(=O)[C@@H](C)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195398214 443015014 /nfs/dbraw/zinc/01/50/14/443015014.db2.gz XJRNMBVAOANHCR-OLZOCXBDSA-N 0 0 335.473 1.952 10 30 EDEERN CC(=NN=C(C)c1ccc(O)cc1)c1nnn(-c2nonc2N)c1C ZINC000254699304 443076292 /nfs/dbraw/zinc/07/62/92/443076292.db2.gz CKERCFRUQDUGGM-UHFFFAOYSA-N 0 0 340.347 1.480 10 30 EDEERN C#CCSCCNC(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185747320 443250088 /nfs/dbraw/zinc/25/00/88/443250088.db2.gz VQTCOVZIXRFZMR-UONOGXRCSA-N 0 0 326.462 1.626 10 30 EDEERN N#Cc1ccc(N2CC[C@](O)(Cn3ccnn3)C2)cc1C(F)(F)F ZINC000585789090 448773149 /nfs/dbraw/zinc/77/31/49/448773149.db2.gz VHYQMLMWQYSSAW-CQSZACIVSA-N 0 0 337.305 1.810 10 30 EDEERN N#Cc1cccc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2)c1 ZINC000616601643 450454732 /nfs/dbraw/zinc/45/47/32/450454732.db2.gz IJGIRNFVPICPNK-KRWDZBQOSA-N 0 0 327.409 1.893 10 30 EDEERN CS[C@H](C)CNS(=O)(=O)c1ccc(C#CCCO)cc1F ZINC000162148323 534061128 /nfs/dbraw/zinc/06/11/28/534061128.db2.gz CWARWTGTMMAVSK-LLVKDONJSA-N 0 0 331.434 1.589 10 30 EDEERN C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174977518 527383568 /nfs/dbraw/zinc/38/35/68/527383568.db2.gz JFKKRHZXFIBCPF-KBPBESRZSA-N 0 0 334.420 1.321 10 30 EDEERN CCOCCN1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC000117283901 595614871 /nfs/dbraw/zinc/61/48/71/595614871.db2.gz MZOLUXALHYFKFZ-INIZCTEOSA-N 0 0 345.443 1.701 10 30 EDEERN C#C[C@@H](C)NC(=O)c1c(C)oc2[nH]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000186329267 705347982 /nfs/dbraw/zinc/34/79/82/705347982.db2.gz WMBQCZKAQIDEAM-SNVBAGLBSA-N 0 0 337.335 1.332 10 30 EDEERN COc1nc(N)c2c(n1)CCN(c1ccc(C3(C#N)CC3)cc1)C2=O ZINC000097757708 219054695 /nfs/dbraw/zinc/05/46/95/219054695.db2.gz WVCBUVYTLRKEJO-UHFFFAOYSA-N 0 0 335.367 1.825 10 30 EDEERN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1 ZINC000056125256 214361268 /nfs/dbraw/zinc/36/12/68/214361268.db2.gz BEZCBPQYJXJLBU-JQVXPOPVSA-N 0 0 339.438 1.109 10 30 EDEERN Cc1cc(C(=O)Nc2ccc(C#N)cc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000049683383 214026946 /nfs/dbraw/zinc/02/69/46/214026946.db2.gz AVVHOOCOOMPLBZ-CQSZACIVSA-N 0 0 344.396 1.675 10 30 EDEERN COc1cccc([C@H](C#N)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000041258957 213436590 /nfs/dbraw/zinc/43/65/90/213436590.db2.gz ACXXHXYKHKDTDD-DLBZAZTESA-N 0 0 329.400 1.583 10 30 EDEERN N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000180977098 234050108 /nfs/dbraw/zinc/05/01/08/234050108.db2.gz ZSPYUZFGDKLGHS-INIZCTEOSA-N 0 0 345.428 1.392 10 30 EDEERN C[C@H](NC(=O)COc1ccccc1C#N)c1nnc2n1CCCC2 ZINC000135356477 138423293 /nfs/dbraw/zinc/42/32/93/138423293.db2.gz JXCGZHPQVWYARH-LBPRGKRZSA-N 0 0 325.372 1.742 10 30 EDEERN Cc1cccc(NCc2nc3c(c(=O)[nH]c(=O)n3C)n2CCC#N)c1 ZINC000036075872 213059627 /nfs/dbraw/zinc/05/96/27/213059627.db2.gz DXBBFBOQAFIEPI-UHFFFAOYSA-N 0 0 338.371 1.258 10 30 EDEERN N#CCCN(CCC#N)C(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105805902 237068050 /nfs/dbraw/zinc/06/80/50/237068050.db2.gz YGYVMQDSTIDIFZ-UHFFFAOYSA-N 0 0 341.419 1.009 10 30 EDEERN C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000015555902 211830407 /nfs/dbraw/zinc/83/04/07/211830407.db2.gz WAKJRDAEQRAWCH-NSHDSACASA-N 0 0 329.381 1.697 10 30 EDEERN O=S(=O)(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000003337312 135659862 /nfs/dbraw/zinc/65/98/62/135659862.db2.gz GURFEJXMHQFUDX-NBVRZTHBSA-N 0 0 345.424 1.836 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1 ZINC000159412461 225211849 /nfs/dbraw/zinc/21/18/49/225211849.db2.gz ULQMILYVLPMRAF-UHFFFAOYSA-N 0 0 330.413 1.856 10 30 EDEERN CCOC(=O)c1cc(=O)c2c(O)c(C[C@@H]3CO3)cc(C[C@H]3CO3)c2o1 ZINC000000157829 440804082 /nfs/dbraw/zinc/80/40/82/440804082.db2.gz XWPORILQNZQHJZ-NEPJUHHUSA-N 0 0 346.335 1.558 10 30 EDEERN NC1=C(c2nc3ccccc3s2)C(=O)CN1NC(=O)c1ccco1 ZINC000003213604 440891653 /nfs/dbraw/zinc/89/16/53/440891653.db2.gz PYHJJOQYRGDXHJ-UHFFFAOYSA-N 0 0 340.364 1.746 10 30 EDEERN NS(=O)(=O)c1ccc(N=NCc2ccsc2)c([N+](=O)[O-])c1 ZINC000005754635 440966939 /nfs/dbraw/zinc/96/69/39/440966939.db2.gz PJJYVLXMECNKMV-AWNIVKPZSA-N 0 0 326.359 1.750 10 30 EDEERN N#Cc1cnc(N2CCN(c3ccc4nncn4n3)CC2)c(Cl)c1 ZINC000108947097 441482319 /nfs/dbraw/zinc/48/23/19/441482319.db2.gz GJWXXJAJLJPNDG-UHFFFAOYSA-N 0 0 340.778 1.371 10 30 EDEERN C#CCCN1CCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CC1 ZINC000091480504 441705351 /nfs/dbraw/zinc/70/53/51/441705351.db2.gz DAPZARRZZJWGIE-UHFFFAOYSA-N 0 0 337.401 1.144 10 30 EDEERN COc1cc(C#N)ccc1OCCN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173667007 441819511 /nfs/dbraw/zinc/81/95/11/441819511.db2.gz XITNIHQDJAOUTE-INIZCTEOSA-N 0 0 343.387 1.446 10 30 EDEERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1C#N ZINC000126125082 442081480 /nfs/dbraw/zinc/08/14/80/442081480.db2.gz HLMKFUGZGUXCKH-LBPRGKRZSA-N 0 0 349.391 1.665 10 30 EDEERN C[C@@H]1COC[C@H](C)N1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000120853878 442142518 /nfs/dbraw/zinc/14/25/18/442142518.db2.gz QHZPGABZAMLXCX-OKILXGFUSA-N 0 0 339.399 1.792 10 30 EDEERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)ncn1 ZINC000176063476 442169120 /nfs/dbraw/zinc/16/91/20/442169120.db2.gz BPQDYOPMWRISGZ-LBPRGKRZSA-N 0 0 325.376 1.117 10 30 EDEERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C2)cn1 ZINC000175988034 442157173 /nfs/dbraw/zinc/15/71/73/442157173.db2.gz XDOHWJBFKWHOFV-LLVKDONJSA-N 0 0 341.346 1.385 10 30 EDEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000177160454 442307622 /nfs/dbraw/zinc/30/76/22/442307622.db2.gz HVSAZAKQVHPBGT-CABCVRRESA-N 0 0 341.371 1.272 10 30 EDEERN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1N1CCOCC1 ZINC000177902614 442394517 /nfs/dbraw/zinc/39/45/17/442394517.db2.gz DRRICAZDYYNKNE-WBMJQRKESA-N 0 0 332.379 1.882 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(F)cc1C#N)CC2 ZINC000177929289 442396379 /nfs/dbraw/zinc/39/63/79/442396379.db2.gz JQAYOBUSJKSAGW-LBPRGKRZSA-N 0 0 328.351 1.988 10 30 EDEERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000186904389 442628528 /nfs/dbraw/zinc/62/85/28/442628528.db2.gz XRSFIUPBDWSQSG-BFUOFWGJSA-N 0 0 337.379 1.965 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)c(Cl)c1 ZINC000187916102 442697776 /nfs/dbraw/zinc/69/77/76/442697776.db2.gz LZDCVQSRYSXGDK-UHFFFAOYSA-N 0 0 339.804 1.111 10 30 EDEERN C#CCOc1ccccc1NC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000188071742 442707879 /nfs/dbraw/zinc/70/78/79/442707879.db2.gz LAFKUAHOFNCNQH-HNNXBMFYSA-N 0 0 331.416 1.619 10 30 EDEERN CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189322695 442920141 /nfs/dbraw/zinc/92/01/41/442920141.db2.gz QOKMIFYBPRCLNJ-FPMFFAJLSA-N 0 0 335.408 1.148 10 30 EDEERN CC(C)[C@@H](O)CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000191058987 443232416 /nfs/dbraw/zinc/23/24/16/443232416.db2.gz UDTOOWVTOMYHHA-CVEARBPZSA-N 0 0 329.400 1.182 10 30 EDEERN COc1cc(C#N)ccc1S(=O)(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000185669512 443236267 /nfs/dbraw/zinc/23/62/67/443236267.db2.gz ASMBWMAMKVNKPZ-UHFFFAOYSA-N 0 0 346.412 1.858 10 30 EDEERN COC(=O)Cc1c(I)ccc(C#N)c1[N+](=O)[O-] ZINC000575392087 449087007 /nfs/dbraw/zinc/08/70/07/449087007.db2.gz BNRHDOAERAZEDW-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN N#CCOc1ccc(CC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111088335 534692600 /nfs/dbraw/zinc/69/26/00/534692600.db2.gz VELQBIQVJXFDKJ-KRWDZBQOSA-N 0 0 340.383 1.256 10 30 EDEERN N#Cc1ccc(Cn2ncc(I)cc2=O)cc1 ZINC000158598104 534783839 /nfs/dbraw/zinc/78/38/39/534783839.db2.gz FFHNWOOPMXXZJP-UHFFFAOYSA-N 0 0 337.120 1.768 10 30 EDEERN C=CCNc1ncc(C(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)s1 ZINC000129368093 526681285 /nfs/dbraw/zinc/68/12/85/526681285.db2.gz BLORPPKPLQGPKY-JTQLQIEISA-N 0 0 348.432 1.635 10 30 EDEERN C#CCCCCNC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000177111841 526702657 /nfs/dbraw/zinc/70/26/57/526702657.db2.gz JDQNFUQVSBZXAC-CQSZACIVSA-N 0 0 331.420 1.327 10 30 EDEERN CC(=O)N[C@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000173793565 526899268 /nfs/dbraw/zinc/89/92/68/526899268.db2.gz WEUJYTVTOSKJLM-HNNXBMFYSA-N 0 0 330.388 1.247 10 30 EDEERN C#CCNCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000169229725 527043886 /nfs/dbraw/zinc/04/38/86/527043886.db2.gz DEBOFLPQZUUQIT-UHFFFAOYSA-N 0 0 326.150 1.827 10 30 EDEERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@H](C#N)C1 ZINC000247050222 535971764 /nfs/dbraw/zinc/97/17/64/535971764.db2.gz FGCZMSNNXBFIKK-BPUTZDHNSA-N 0 0 329.400 1.582 10 30 EDEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(OCC#N)cc1 ZINC000088197166 529750300 /nfs/dbraw/zinc/75/03/00/529750300.db2.gz KZBVFUBFUDHNDU-OAHLLOKOSA-N 0 0 339.399 1.937 10 30 EDEERN Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000041209590 213432018 /nfs/dbraw/zinc/43/20/18/213432018.db2.gz BCWORYQEXZHAMT-UHFFFAOYSA-N 0 0 347.400 1.157 10 30 EDEERN COC(=O)C(F)(F)C(F)(F)O[C@](F)(C(=O)OC)C(F)(F)F ZINC000103543370 219313202 /nfs/dbraw/zinc/31/32/02/219313202.db2.gz WWTKALUFHRDMAT-ZCFIWIBFSA-N 0 0 334.115 1.805 10 30 EDEERN O=C[C@@H]1CCCN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000104418465 219385186 /nfs/dbraw/zinc/38/51/86/219385186.db2.gz UEGVGYDKYPFZSG-SECBINFHSA-N 0 0 333.207 1.444 10 30 EDEERN C[C@@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000075523706 138242663 /nfs/dbraw/zinc/24/26/63/138242663.db2.gz GCYSPEMWCKBBMG-WBMJQRKESA-N 0 0 347.440 1.484 10 30 EDEERN Cc1cccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)c1C#N ZINC000133256911 138390284 /nfs/dbraw/zinc/39/02/84/138390284.db2.gz MLZYHLKRMQGKLG-ZDUSSCGKSA-N 0 0 330.413 1.778 10 30 EDEERN CCn1cc([C@@H]2CN(CC(=O)Nc3cccc(C#N)c3)CCO2)cn1 ZINC000190816958 238747117 /nfs/dbraw/zinc/74/71/17/238747117.db2.gz HQRINBOTQWBVMK-KRWDZBQOSA-N 0 0 339.399 1.787 10 30 EDEERN C[C@H]1CN([C@H](CNC(=O)CSCC#N)c2cccs2)CCO1 ZINC000246700037 249311160 /nfs/dbraw/zinc/31/11/60/249311160.db2.gz FCOGTJSDIGXTKC-QWHCGFSZSA-N 0 0 339.486 1.883 10 30 EDEERN C=CCN1c2ccc(NC(=O)CCC(=O)OC)cc2O[C@@H](C)C1=O ZINC000012121123 211300166 /nfs/dbraw/zinc/30/01/66/211300166.db2.gz VURUUAMUASSKEF-NSHDSACASA-N 0 0 332.356 1.878 10 30 EDEERN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C)[C@H](C#N)C1 ZINC000333261762 277786139 /nfs/dbraw/zinc/78/61/39/277786139.db2.gz UPHMOTYOZLMKAV-CABCVRRESA-N 0 0 330.436 1.740 10 30 EDEERN C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000173804635 279790239 /nfs/dbraw/zinc/79/02/39/279790239.db2.gz IWZSBCNBNSYHIF-YJBOKZPZSA-N 0 0 327.428 1.670 10 30 EDEERN COC(=O)C[C@@H]1O[C@H](C)C2C(=O)c3c(O)cccc3C(=O)[C@@]23O[C@@H]13 ZINC000072319953 441229755 /nfs/dbraw/zinc/22/97/55/441229755.db2.gz HAMGMFWBTYYRFD-YYRNGPRCSA-N 0 0 332.308 1.346 10 30 EDEERN CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173891181 441857551 /nfs/dbraw/zinc/85/75/51/441857551.db2.gz UADXJYXGJFDYBL-HNNXBMFYSA-N 0 0 344.415 1.895 10 30 EDEERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)cn1 ZINC000116587852 441832831 /nfs/dbraw/zinc/83/28/31/441832831.db2.gz KYVAGJPLNKEDKC-LLVKDONJSA-N 0 0 341.346 1.385 10 30 EDEERN C#CCOc1ccc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000120180980 442024769 /nfs/dbraw/zinc/02/47/69/442024769.db2.gz KXUDUZLNYLFNOD-SFHVURJKSA-N 0 0 339.395 1.745 10 30 EDEERN CCn1cc(CN2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)cn1 ZINC000175585542 442089807 /nfs/dbraw/zinc/08/98/07/442089807.db2.gz GVLWOPDKAZSTIH-UHFFFAOYSA-N 0 0 326.404 1.451 10 30 EDEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cc(C#N)ccc1F ZINC000175824977 442129677 /nfs/dbraw/zinc/12/96/77/442129677.db2.gz MQEZCBJOMWDGOD-AWEZNQCLSA-N 0 0 328.351 1.932 10 30 EDEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127295430 442190199 /nfs/dbraw/zinc/19/01/99/442190199.db2.gz XPJPIWOCKGDOBU-HUUCEWRRSA-N 0 0 339.399 1.856 10 30 EDEERN CCc1nnc([C@H]2CN(Cc3cnc4ccc(C#N)cn34)CCO2)[nH]1 ZINC000129222912 442307072 /nfs/dbraw/zinc/30/70/72/442307072.db2.gz QPUSTWJLVZRGJY-CQSZACIVSA-N 0 0 337.387 1.460 10 30 EDEERN CC(C)C(=O)CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000133642779 442427379 /nfs/dbraw/zinc/42/73/79/442427379.db2.gz OITVTTDRYIBYMR-UHFFFAOYSA-N 0 0 345.218 1.824 10 30 EDEERN COc1ccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)cc1C#N ZINC000135055281 442549876 /nfs/dbraw/zinc/54/98/76/442549876.db2.gz AGJSWLPXNDMQAR-QGZVFWFLSA-N 0 0 326.400 1.973 10 30 EDEERN Cc1nnc([C@@H]2CN(C(=O)C3(c4ccc(C#N)cc4)CC3)CCO2)[nH]1 ZINC000187557427 442681573 /nfs/dbraw/zinc/68/15/73/442681573.db2.gz YICLGKXJLYNCEB-HNNXBMFYSA-N 0 0 337.383 1.617 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000188880312 442834405 /nfs/dbraw/zinc/83/44/05/442834405.db2.gz IHBFJGSBLOHWLO-WFASDCNBSA-N 0 0 349.437 1.411 10 30 EDEERN CCN(CCO)c1nn(-c2cccc(C(F)(F)F)c2)nc1C#N ZINC000256046057 443115527 /nfs/dbraw/zinc/11/55/27/443115527.db2.gz CKHWMBPBOUJGJE-UHFFFAOYSA-N 0 0 325.294 1.976 10 30 EDEERN Cc1ccc([C@H]2C(=O)C3=C(O[C@H](NCCN(C)C)C=N3)C2=O)cc1F ZINC000584654733 448590244 /nfs/dbraw/zinc/59/02/44/448590244.db2.gz AZBNSLJCQYXAPI-KBPBESRZSA-N 0 0 345.374 1.159 10 30 EDEERN COc1ccc(C=NNC2N=NC(=S)N2)cc1OCn1cccn1 ZINC000020259340 523448651 /nfs/dbraw/zinc/44/86/51/523448651.db2.gz KHXFKWNWCFGSSV-OVCLIPMQSA-N 0 0 345.388 1.781 10 30 EDEERN C=C(C)CS(=O)(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000189614572 526676002 /nfs/dbraw/zinc/67/60/02/526676002.db2.gz VYFSBUPPNVYNBM-UHFFFAOYSA-N 0 0 326.466 1.317 10 30 EDEERN C=CCC(CC=C)C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000092517598 527030527 /nfs/dbraw/zinc/03/05/27/527030527.db2.gz ORDSTZTWSKUTJE-CVEARBPZSA-N 0 0 334.372 1.874 10 30 EDEERN C=CCCO[C@H](C)C(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000105830770 527389935 /nfs/dbraw/zinc/38/99/35/527389935.db2.gz PCBMLPRSLYMTEU-MRXNPFEDSA-N 0 0 334.464 1.919 10 30 EDEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H](C)COC)cc1 ZINC000103381260 527576882 /nfs/dbraw/zinc/57/68/82/527576882.db2.gz YKQPRRQUBQIDFR-GFCCVEGCSA-N 0 0 326.418 1.714 10 30 EDEERN C=CCN(CC=C)C(=O)CN1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000105865059 527609352 /nfs/dbraw/zinc/60/93/52/527609352.db2.gz SUGJGNWCYKIALI-HNNXBMFYSA-N 0 0 347.463 1.511 10 30 EDEERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@H](C#N)C1 ZINC000106052916 529218508 /nfs/dbraw/zinc/21/85/08/529218508.db2.gz FGCZMSNNXBFIKK-NUEKZKHPSA-N 0 0 329.400 1.582 10 30 EDEERN CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)C#CC(C)(C)C ZINC000855065100 595584836 /nfs/dbraw/zinc/58/48/36/595584836.db2.gz HVPWKXRTFCCZIL-CXAGYDPISA-N 0 0 330.432 1.949 10 30 EDEERN CNC(=O)[C@H](NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)C(C)C ZINC000178867172 290604304 /nfs/dbraw/zinc/60/43/04/290604304.db2.gz ONQGQMGYTSFMDQ-CVEARBPZSA-N 0 0 331.416 1.848 10 30 EDEERN CNC(=O)[C@](O)(NC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000003153052 290619646 /nfs/dbraw/zinc/61/96/46/290619646.db2.gz FZOUABSFDUBWEC-SCSAIBSYSA-N 0 0 336.154 1.109 10 30 EDEERN C[C@@H]1CCCCN1S(=O)(=O)NCc1cc(C#CCO)cs1 ZINC000071323091 215760441 /nfs/dbraw/zinc/76/04/41/215760441.db2.gz ATPDOZFHITXTEM-GFCCVEGCSA-N 0 0 328.459 1.301 10 30 EDEERN C#CCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000022760703 212320754 /nfs/dbraw/zinc/32/07/54/212320754.db2.gz ZZTBTZNGHPACKU-ZDUSSCGKSA-N 0 0 337.763 1.752 10 30 EDEERN N#Cc1ccsc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136385073 223645087 /nfs/dbraw/zinc/64/50/87/223645087.db2.gz IDJXKVSFTIFBQI-UHFFFAOYSA-N 0 0 339.384 1.020 10 30 EDEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000253542929 139206597 /nfs/dbraw/zinc/20/65/97/139206597.db2.gz SJJNWMCYGPHIQK-DOMZBBRYSA-N 0 0 342.443 1.903 10 30 EDEERN Cc1cnn(CCNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 ZINC000117810974 221092099 /nfs/dbraw/zinc/09/20/99/221092099.db2.gz ILKYUSOLDBILCW-UHFFFAOYSA-N 0 0 327.388 1.117 10 30 EDEERN N#C[C@@H]1CNCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159497322 225228679 /nfs/dbraw/zinc/22/86/79/225228679.db2.gz YMUPFFKFXGPDKE-SNVBAGLBSA-N 0 0 325.166 1.655 10 30 EDEERN CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000329357076 279377148 /nfs/dbraw/zinc/37/71/48/279377148.db2.gz FYNODDCRNIKNQG-ZIAGYGMSSA-N 0 0 338.429 1.582 10 30 EDEERN N#Cc1ccccc1OCCN1CCN(c2ccc3nncn3n2)CC1 ZINC000105817361 441277713 /nfs/dbraw/zinc/27/77/13/441277713.db2.gz PEQGXORZHGLNOL-UHFFFAOYSA-N 0 0 349.398 1.197 10 30 EDEERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000106368041 441334447 /nfs/dbraw/zinc/33/44/47/441334447.db2.gz IERYETRORCURIM-CQSZACIVSA-N 0 0 345.428 1.738 10 30 EDEERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C#N)cc1 ZINC000088787058 441522761 /nfs/dbraw/zinc/52/27/61/441522761.db2.gz UNJXNXNYJVFGMV-CYBMUJFWSA-N 0 0 331.401 1.526 10 30 EDEERN CC(C)[C@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113785196 441624910 /nfs/dbraw/zinc/62/49/10/441624910.db2.gz KWIATOODYCRGNA-SWLSCSKDSA-N 0 0 342.399 1.924 10 30 EDEERN C#CCSCCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000121451600 441708121 /nfs/dbraw/zinc/70/81/21/441708121.db2.gz MFWZAINMUFSXRX-QGZVFWFLSA-N 0 0 347.484 1.414 10 30 EDEERN C[C@H](C#N)C(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc32)C1 ZINC000145295016 441887699 /nfs/dbraw/zinc/88/76/99/441887699.db2.gz HTHSDNKHQYZZDG-BZPMIXESSA-N 0 0 326.404 1.791 10 30 EDEERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccccc1C#N ZINC000126602198 442126094 /nfs/dbraw/zinc/12/60/94/442126094.db2.gz OAAXZYGIQGGTPH-LBPRGKRZSA-N 0 0 347.400 1.110 10 30 EDEERN N#Cc1csc(C(=O)N2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000177490158 442348827 /nfs/dbraw/zinc/34/88/27/442348827.db2.gz CNBKDGGLMCSNQT-UHFFFAOYSA-N 0 0 339.384 1.020 10 30 EDEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C(=O)NC)C(C)C)cc1 ZINC000178924718 442527546 /nfs/dbraw/zinc/52/75/46/442527546.db2.gz OMOYMKCQLCTUDX-CQSZACIVSA-N 0 0 332.404 1.495 10 30 EDEERN CN1C(=O)CC[C@H](C(=O)N2CC(O)(CC#N)C2)[C@H]1c1ccccc1 ZINC000193986019 442824640 /nfs/dbraw/zinc/82/46/40/442824640.db2.gz AACBKOSQUVDBMF-GOEBONIOSA-N 0 0 327.384 1.083 10 30 EDEERN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000183664424 442950312 /nfs/dbraw/zinc/95/03/12/442950312.db2.gz BBYFLFSMYSEGPR-IRXDYDNUSA-N 0 0 347.503 1.733 10 30 EDEERN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249535919 442983632 /nfs/dbraw/zinc/98/36/32/442983632.db2.gz CKVNBKHWKASRHT-UXLLHSPISA-N 0 0 335.473 1.810 10 30 EDEERN Cc1ccc([C@H]2C(=O)C3=C(O[C@@H](NCCN(C)C)C=N3)C2=O)cc1F ZINC000584654736 448589804 /nfs/dbraw/zinc/58/98/04/448589804.db2.gz AZBNSLJCQYXAPI-KGLIPLIRSA-N 0 0 345.374 1.159 10 30 EDEERN Cn1cc(O[C@@H]2CN(Cc3ccc(Cl)cc3C#N)C[C@H]2O)cn1 ZINC000599506670 450031303 /nfs/dbraw/zinc/03/13/03/450031303.db2.gz IJGGVVINZXVHCB-HZPDHXFCSA-N 0 0 332.791 1.569 10 30 EDEERN C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CCOCC1 ZINC000171304192 534084947 /nfs/dbraw/zinc/08/49/47/534084947.db2.gz KYKOVAXPNNBFRA-OAHLLOKOSA-N 0 0 342.443 1.953 10 30 EDEERN C[C@@H]1CN(C(=O)c2ccccc2OCC#N)C[C@H]1N1CCOCC1 ZINC000173844000 534430429 /nfs/dbraw/zinc/43/04/29/534430429.db2.gz LYENGADCGZOHEK-GDBMZVCRSA-N 0 0 329.400 1.382 10 30 EDEERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(C)(C)C#N ZINC000130727689 597617387 /nfs/dbraw/zinc/61/73/87/597617387.db2.gz QPELAMFRPQHGJW-MNOVXSKESA-N 0 0 342.392 1.974 10 30 EDEERN Cc1nnc([C@H]2CN(CCC(=O)Nc3ccccc3C#N)CCO2)[nH]1 ZINC000173680463 231003080 /nfs/dbraw/zinc/00/30/80/231003080.db2.gz GQQRMJZOTUXJNP-OAHLLOKOSA-N 0 0 340.387 1.387 10 30 EDEERN CCc1noc([C@H](C)N2CCN(C(=O)C#Cc3ccccc3)CC2)n1 ZINC000176287161 231616318 /nfs/dbraw/zinc/61/63/18/231616318.db2.gz AHYIHOOYOBCFED-HNNXBMFYSA-N 0 0 338.411 1.889 10 30 EDEERN C[C@@H](C#N)CN(C)S(=O)(=O)c1ccc(N)cc1Br ZINC000040335117 213292193 /nfs/dbraw/zinc/29/21/93/213292193.db2.gz OPDAKVATIAZQJS-QMMMGPOBSA-N 0 0 332.223 1.811 10 30 EDEERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CCO2)[nH]1 ZINC000173354742 138670258 /nfs/dbraw/zinc/67/02/58/138670258.db2.gz CCAPFNVBKUAHPM-XHDPSFHLSA-N 0 0 340.387 1.385 10 30 EDEERN COc1cc2c(c(OC)c1OC)C(=O)N(C[C@H]1CCCO1)C2C#N ZINC000071682358 215794989 /nfs/dbraw/zinc/79/49/89/215794989.db2.gz ODOIMJKDCJITKF-ZYHUDNBSSA-N 0 0 332.356 1.912 10 30 EDEERN CCc1nnc(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)n1C ZINC000195195003 139009944 /nfs/dbraw/zinc/00/99/44/139009944.db2.gz YDXKIPUPDFLTTM-KRWDZBQOSA-N 0 0 338.371 1.216 10 30 EDEERN C[C@@H]1CN([C@H](CNC(=O)CSCC#N)c2cccs2)CCO1 ZINC000246700027 249311151 /nfs/dbraw/zinc/31/11/51/249311151.db2.gz FCOGTJSDIGXTKC-CHWSQXEVSA-N 0 0 339.486 1.883 10 30 EDEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000253542930 139206488 /nfs/dbraw/zinc/20/64/88/139206488.db2.gz SJJNWMCYGPHIQK-IUODEOHRSA-N 0 0 342.443 1.903 10 30 EDEERN CC[C@H]1CN(C(=O)c2ccccc2OCC#N)CCN1CCOC ZINC000117304731 221050411 /nfs/dbraw/zinc/05/04/11/221050411.db2.gz ZWPNTYDBDFXYFK-HNNXBMFYSA-N 0 0 331.416 1.772 10 30 EDEERN C=CCO[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)Cc1ccc2c(c1)OCO2 ZINC000253377617 257659495 /nfs/dbraw/zinc/65/94/95/257659495.db2.gz XQHCKSRXPSAAKT-OGWOLHLISA-N 0 0 345.395 1.919 10 30 EDEERN N#Cc1ccc(OC[C@@]23COC[C@@H]2CN(C(=O)c2cnoc2)C3)nc1 ZINC000247708978 257680183 /nfs/dbraw/zinc/68/01/83/257680183.db2.gz HKICUDTYSDPYSX-WMLDXEAASA-N 0 0 340.339 1.109 10 30 EDEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329384150 278519501 /nfs/dbraw/zinc/51/95/01/278519501.db2.gz PFOJXFVFYCGDPB-DMDPSCGWSA-N 0 0 345.465 1.601 10 30 EDEERN CCOCCN1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000105834772 441287981 /nfs/dbraw/zinc/28/79/81/441287981.db2.gz PVZUAXIEGLYHPA-HNNXBMFYSA-N 0 0 330.432 1.539 10 30 EDEERN N#Cc1ccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)c(F)c1 ZINC000111859225 441542718 /nfs/dbraw/zinc/54/27/18/441542718.db2.gz UMLKNTARKGLVDX-OAHLLOKOSA-N 0 0 343.362 1.504 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccccc1OCC#N)CC2 ZINC000114869671 441693880 /nfs/dbraw/zinc/69/38/80/441693880.db2.gz NXGCCKWSJHICHI-GFCCVEGCSA-N 0 0 325.372 1.488 10 30 EDEERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C#N)cn2)ncn1 ZINC000173442034 441752311 /nfs/dbraw/zinc/75/23/11/441752311.db2.gz GMGDOMRQCMMGOQ-CYBMUJFWSA-N 0 0 337.387 1.184 10 30 EDEERN C=CCOc1ccccc1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173526904 441778253 /nfs/dbraw/zinc/77/82/53/441778253.db2.gz POCINDHQEWFZHH-OAHLLOKOSA-N 0 0 328.372 1.892 10 30 EDEERN C[C@@H](NS(=O)(=O)c1ccccc1C#N)c1nnc2n1CCCC2 ZINC000126873166 442149655 /nfs/dbraw/zinc/14/96/55/442149655.db2.gz UDXFZCFBPGCMLP-LLVKDONJSA-N 0 0 331.401 1.526 10 30 EDEERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000121290583 442199744 /nfs/dbraw/zinc/19/97/44/442199744.db2.gz KXCSYVNYRUUIAR-ZDUSSCGKSA-N 0 0 348.790 1.277 10 30 EDEERN CC#CCNC(=O)c1c(C)oc2[nH]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000155901040 442435295 /nfs/dbraw/zinc/43/52/95/442435295.db2.gz WJJIHCJVPQMYPO-UHFFFAOYSA-N 0 0 337.335 1.334 10 30 EDEERN Cc1cccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1C#N ZINC000186186255 442480741 /nfs/dbraw/zinc/48/07/41/442480741.db2.gz FOEUEXONWVGHAK-UHFFFAOYSA-N 0 0 333.413 1.156 10 30 EDEERN CCn1cc([C@@H]2CN(CC(=O)N[C@@](C)(C#N)C3CC3)CCO2)cn1 ZINC000190727396 443171049 /nfs/dbraw/zinc/17/10/49/443171049.db2.gz VGAVDVZURMCUPJ-RDJZCZTQSA-N 0 0 331.420 1.085 10 30 EDEERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1cccc(Br)c1C#N ZINC000596432883 449500622 /nfs/dbraw/zinc/50/06/22/449500622.db2.gz GGVHJZKKCRKPMB-RYUDHWBXSA-N 0 0 345.218 1.545 10 30 EDEERN Cc1ncc(CN2CCN(CCC(=O)N(C)CCC#N)CC2)s1 ZINC000181561583 534737149 /nfs/dbraw/zinc/73/71/49/534737149.db2.gz ICTVDADLVBOKHL-UHFFFAOYSA-N 0 0 335.477 1.331 10 30 EDEERN C=CCNc1ncc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)s1 ZINC000136309424 526680650 /nfs/dbraw/zinc/68/06/50/526680650.db2.gz GWUPFKVKQAMLIF-SNVBAGLBSA-N 0 0 334.405 1.381 10 30 EDEERN C=CCn1ncc(NC[C@H](C)[S@](C)=O)c(Br)c1=O ZINC000158684506 527390209 /nfs/dbraw/zinc/39/02/09/527390209.db2.gz LVOFMBOCBVMJMQ-DCXZOGHSSA-N 0 0 334.239 1.371 10 30 EDEERN N#Cc1cccc(C(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000130276649 598078415 /nfs/dbraw/zinc/07/84/15/598078415.db2.gz FVQLXUCUTIJELG-CVEARBPZSA-N 0 0 341.323 1.291 10 30 EDEERN CCN(CCC#N)S(=O)(=O)c1cc(Br)cnc1N ZINC000050673370 214066165 /nfs/dbraw/zinc/06/61/65/214066165.db2.gz SBSJHFNIAJRORB-UHFFFAOYSA-N 0 0 333.211 1.351 10 30 EDEERN C=CCNC(=O)N1CCN(c2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000056938667 214396881 /nfs/dbraw/zinc/39/68/81/214396881.db2.gz LLVSZPGBZPQODM-UHFFFAOYSA-N 0 0 340.431 1.902 10 30 EDEERN Cc1cc(N2CCC[C@H](NC(=O)C3(C#N)CCCC3)C2=O)n(C)n1 ZINC000174989894 231361410 /nfs/dbraw/zinc/36/14/10/231361410.db2.gz NWEZYWJXECARPQ-ZDUSSCGKSA-N 0 0 329.404 1.424 10 30 EDEERN Cc1cc(N2CCC[C@@H](NC(=O)c3sccc3C#N)C2=O)n(C)n1 ZINC000174991959 231361492 /nfs/dbraw/zinc/36/14/92/231361492.db2.gz RMTTWWSXSJLOLF-GFCCVEGCSA-N 0 0 343.412 1.587 10 30 EDEERN C=CCNC(=O)Cn1c(CCNC(=O)CCC)nc2ccccc21 ZINC000040299209 213290038 /nfs/dbraw/zinc/29/00/38/213290038.db2.gz CQWMITNLOYTFDP-UHFFFAOYSA-N 0 0 328.416 1.797 10 30 EDEERN CCN(CCC#N)S(=O)(=O)c1ccc(N)c(Br)c1 ZINC000071384509 215765874 /nfs/dbraw/zinc/76/58/74/215765874.db2.gz HEDICSPWWWVRLS-UHFFFAOYSA-N 0 0 332.223 1.956 10 30 EDEERN CCOc1cccn2c1nc(C)c2C(=O)Nc1n[nH]c(CC#N)c1C#N ZINC000071528166 215784498 /nfs/dbraw/zinc/78/44/98/215784498.db2.gz ZBFCERHIDVBYDR-UHFFFAOYSA-N 0 0 349.354 1.955 10 30 EDEERN Cc1ccc(N2C[C@H](C(=O)N(CC#N)CC#N)CC2=O)cc1Cl ZINC000021348119 212221170 /nfs/dbraw/zinc/22/11/70/212221170.db2.gz XBFNIYUOJJIUDU-GFCCVEGCSA-N 0 0 330.775 1.877 10 30 EDEERN C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077938837 217003623 /nfs/dbraw/zinc/00/36/23/217003623.db2.gz RSZJGXQQUQKQBN-CZUORRHYSA-N 0 0 332.400 1.857 10 30 EDEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083561 220097418 /nfs/dbraw/zinc/09/74/18/220097418.db2.gz ZWXFQJJQLLAYOS-GOEBONIOSA-N 0 0 340.383 1.450 10 30 EDEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000247088302 249314076 /nfs/dbraw/zinc/31/40/76/249314076.db2.gz HLWFEBCVDWKTKH-MSOLQXFVSA-N 0 0 346.475 1.790 10 30 EDEERN C[C@H]1CN(C(=O)Nc2ccccc2N2C(=O)CCC2=O)CCCO1 ZINC000329495618 249843154 /nfs/dbraw/zinc/84/31/54/249843154.db2.gz XCUROAOZOSQZSG-LBPRGKRZSA-N 0 0 331.372 1.996 10 30 EDEERN C=CCOC[C@H]1CN(C(=O)[C@@H]2CCCO2)Cc2nnn(CC3CC3)c21 ZINC000253376031 257659379 /nfs/dbraw/zinc/65/93/79/257659379.db2.gz RUZQHMCLLBNSBS-ZBFHGGJFSA-N 0 0 346.431 1.496 10 30 EDEERN Cc1nnc(NC[C@@H]2C[C@H](F)CN2c2cccnn2)c(C#N)c1C ZINC000328628696 258031023 /nfs/dbraw/zinc/03/10/23/258031023.db2.gz HNPKCUJSGNCNAJ-STQMWFEESA-N 0 0 327.367 1.784 10 30 EDEERN Cc1nn(-c2ccccc2Br)c(S(N)(=O)=O)c1C#N ZINC000158952795 225115180 /nfs/dbraw/zinc/11/51/80/225115180.db2.gz ZDOZFQORQCFYEJ-UHFFFAOYSA-N 0 0 341.190 1.462 10 30 EDEERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(F)c(C#N)c2)cn1 ZINC000171397923 227061338 /nfs/dbraw/zinc/06/13/38/227061338.db2.gz IZAUYESAJRAOQB-HNNXBMFYSA-N 0 0 341.346 1.733 10 30 EDEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123167625 222228413 /nfs/dbraw/zinc/22/84/13/222228413.db2.gz XZMGZBXXLAYMME-DNVCBOLYSA-N 0 0 341.411 1.959 10 30 EDEERN Cc1cccc(S(=O)(=O)N[C@H](C)c2nnc3n2CCCC3)c1C#N ZINC000126869905 442149146 /nfs/dbraw/zinc/14/91/46/442149146.db2.gz CPVAPDMAIICKHT-GFCCVEGCSA-N 0 0 345.428 1.834 10 30 EDEERN C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1N1CCOCC1 ZINC000175764938 442118690 /nfs/dbraw/zinc/11/86/90/442118690.db2.gz IGPLIMDFJAXPIP-SUMWQHHRSA-N 0 0 346.406 1.559 10 30 EDEERN Cc1sc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)c(C#N)c1C ZINC000177310262 442327675 /nfs/dbraw/zinc/32/76/75/442327675.db2.gz CUJZRJVATPMEKM-AWEZNQCLSA-N 0 0 348.472 1.582 10 30 EDEERN CC(C)c1nnc(CN2CCN(c3nccnc3C#N)C[C@H]2C)n1C ZINC000155717481 442421569 /nfs/dbraw/zinc/42/15/69/442421569.db2.gz PSXYYQKBUVQBSE-CYBMUJFWSA-N 0 0 340.435 1.311 10 30 EDEERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccccc1C#N)CC2 ZINC000157808302 442616269 /nfs/dbraw/zinc/61/62/69/442616269.db2.gz FJZUPNOVTBZWPY-CYBMUJFWSA-N 0 0 345.428 1.566 10 30 EDEERN CCn1cc([C@@H]2CN(CC(=O)N[C@](C)(C#N)C3CC3)CCO2)cn1 ZINC000248818975 442927261 /nfs/dbraw/zinc/92/72/61/442927261.db2.gz VGAVDVZURMCUPJ-DOTOQJQBSA-N 0 0 331.420 1.085 10 30 EDEERN N#Cc1ccc(N2CCN(C(=O)N[C@H]3COc4ccccc43)CC2)nc1 ZINC000194695309 442938285 /nfs/dbraw/zinc/93/82/85/442938285.db2.gz PIMIQIVGZWOEAI-INIZCTEOSA-N 0 0 349.394 1.919 10 30 EDEERN CCn1ncc(N=Cc2cc(OC)c(OC)cc2OC)c1C(N)=O ZINC000254867242 443077902 /nfs/dbraw/zinc/07/79/02/443077902.db2.gz CCSAACPTCLQHLX-UHFFFAOYSA-N 0 0 332.360 1.778 10 30 EDEERN COC(=O)Cc1ccc(C#N)c(I)c1[N+](=O)[O-] ZINC000575392569 449087307 /nfs/dbraw/zinc/08/73/07/449087307.db2.gz QTYYOZPPFDNWAX-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1n[nH]c(C2CC2)c1C#N ZINC000594947031 449816840 /nfs/dbraw/zinc/81/68/40/449816840.db2.gz WEOFNRHIVFDLEL-SWLSCSKDSA-N 0 0 326.404 2.472 10 30 EDEERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccn(CCC#N)n1 ZINC000177047515 534778248 /nfs/dbraw/zinc/77/82/48/534778248.db2.gz WRAYHHRTOCNYDX-AWEZNQCLSA-N 0 0 327.392 1.998 10 30 EDEERN C=CCNC(=O)NC(=O)CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246593673 534862483 /nfs/dbraw/zinc/86/24/83/534862483.db2.gz GVFPCPDPWRUWSD-RISCZKNCSA-N 0 0 339.342 1.084 10 30 EDEERN C=C(Br)CNC(=O)c1ccc(S(N)(=O)=O)cc1C ZINC000168367157 526429417 /nfs/dbraw/zinc/42/94/17/526429417.db2.gz JCFSAHWTNZYEEU-UHFFFAOYSA-N 0 0 333.207 1.281 10 30 EDEERN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)n1 ZINC000179766890 526909544 /nfs/dbraw/zinc/90/95/44/526909544.db2.gz JLSHGLPYJIFBQW-AAEUAGOBSA-N 0 0 347.419 1.116 10 30 EDEERN CCCNc1ccc(C#N)cc1NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000193345147 535194649 /nfs/dbraw/zinc/19/46/49/535194649.db2.gz VOKNKTDXTZRWSK-CZUORRHYSA-N 0 0 330.388 1.300 10 30 EDEERN CCOCCN1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000247404216 535608903 /nfs/dbraw/zinc/60/89/03/535608903.db2.gz YVBNCWSQUQQLAI-JKSUJKDBSA-N 0 0 344.459 1.928 10 30 EDEERN Cn1cnnc1C[C@]1(O)CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000888077205 590932166 /nfs/dbraw/zinc/93/21/66/590932166.db2.gz SDRLSGYHMHUOIO-QGZVFWFLSA-N 0 0 329.379 1.395 10 30 EDEERN C#Cc1cccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000133188278 597945609 /nfs/dbraw/zinc/94/56/09/597945609.db2.gz OQTAFLYHEHFBTJ-UHFFFAOYSA-N 0 0 347.382 1.460 10 30 EDEERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cccc(OCC#N)c1 ZINC000089775941 529749715 /nfs/dbraw/zinc/74/97/15/529749715.db2.gz LLZADFUCGQYYJD-HNNXBMFYSA-N 0 0 339.399 1.937 10 30 EDEERN COCCCN(C)S(=O)(=O)c1ccc(C#CCO)cc1Cl ZINC000062031791 214695473 /nfs/dbraw/zinc/69/54/73/214695473.db2.gz AWCMOLAKBZKCNX-UHFFFAOYSA-N 0 0 331.821 1.341 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)CC2 ZINC000154991590 529751567 /nfs/dbraw/zinc/75/15/67/529751567.db2.gz BWYLHTWEYHTKQP-SNVBAGLBSA-N 0 0 331.326 1.735 10 30 EDEERN COc1ccc(-c2ccc(/C=N\n3nnnc3N)o2)cc1[N+](=O)[O-] ZINC000002734142 209897099 /nfs/dbraw/zinc/89/70/99/209897099.db2.gz GYUNIKNVNZQMEA-CHHVJCJISA-N 0 0 329.276 1.314 10 30 EDEERN C[C@H](C#N)CN(C)S(=O)(=O)c1cc(Br)ccc1N ZINC000040335160 213292439 /nfs/dbraw/zinc/29/24/39/213292439.db2.gz GGZSKAASDRBUFI-MRVPVSSYSA-N 0 0 332.223 1.811 10 30 EDEERN C=CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000039346337 213234774 /nfs/dbraw/zinc/23/47/74/213234774.db2.gz PPGMBXPBVNLOMY-UHFFFAOYSA-N 0 0 345.374 1.777 10 30 EDEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000106368498 138302898 /nfs/dbraw/zinc/30/28/98/138302898.db2.gz CMOIWLROVVIXNY-HNNXBMFYSA-N 0 0 345.428 1.829 10 30 EDEERN C=CCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000071530749 215784793 /nfs/dbraw/zinc/78/47/93/215784793.db2.gz FYMWXODBAUONDO-SECBINFHSA-N 0 0 328.346 1.531 10 30 EDEERN Cc1cc(N2CC[C@]3(C2)CCCN(CCO)C3=O)nc(C)c1C#N ZINC000091974068 218097164 /nfs/dbraw/zinc/09/71/64/218097164.db2.gz CZSDRIXCANQWHR-SFHVURJKSA-N 0 0 328.416 1.381 10 30 EDEERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000171377863 533070075 /nfs/dbraw/zinc/07/00/75/533070075.db2.gz SKDQIIUQUFPLJB-HUUCEWRRSA-N 0 0 327.384 1.406 10 30 EDEERN Cc1nc(CN2C[C@@H]3CN(C(=O)C4(C#N)CC4)C[C@H]3C2=O)cs1 ZINC000503715191 257832818 /nfs/dbraw/zinc/83/28/18/257832818.db2.gz CVZZLKGABRROIB-DGCLKSJQSA-N 0 0 330.413 1.172 10 30 EDEERN N#Cc1ncccc1Cn1cnc(Cl)c(Br)c1=O ZINC000164874217 226103186 /nfs/dbraw/zinc/10/31/86/226103186.db2.gz NHGMIENODOKFDU-UHFFFAOYSA-N 0 0 325.553 1.974 10 30 EDEERN C#CCOc1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000173810945 276789405 /nfs/dbraw/zinc/78/94/05/276789405.db2.gz ODGPEDXQGCQZNA-QAPCUYQASA-N 0 0 328.412 1.491 10 30 EDEERN COc1ccc(/C=N/n2c3nncn3nc(C(C)(C)C)c2=O)cc1O ZINC000001100617 440838510 /nfs/dbraw/zinc/83/85/10/440838510.db2.gz GUXKXFJXDSHDBU-QGMBQPNBSA-N 0 0 342.359 1.180 10 30 EDEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000028440798 441432559 /nfs/dbraw/zinc/43/25/59/441432559.db2.gz JQADFMDDLHHKAP-OAHLLOKOSA-N 0 0 335.429 1.895 10 30 EDEERN CN(C)C(=O)[C@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173505233 441772442 /nfs/dbraw/zinc/77/24/42/441772442.db2.gz ORNZYFBQMPPZLA-CQSZACIVSA-N 0 0 325.372 1.661 10 30 EDEERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000121779328 441780306 /nfs/dbraw/zinc/78/03/06/441780306.db2.gz YQJIKNUQPZVOEF-JKSUJKDBSA-N 0 0 326.396 1.852 10 30 EDEERN C=CCCS(=O)(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000121233853 442194889 /nfs/dbraw/zinc/19/48/89/442194889.db2.gz IVRSNMVKKBGZHV-AWEZNQCLSA-N 0 0 344.502 1.925 10 30 EDEERN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000176008849 442160037 /nfs/dbraw/zinc/16/00/37/442160037.db2.gz ZGUJQQFLEUZBLU-CQSZACIVSA-N 0 0 330.363 1.333 10 30 EDEERN CCOCCN1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@@H]1CC ZINC000165339078 442208209 /nfs/dbraw/zinc/20/82/09/442208209.db2.gz WOXXHKLWXVHVDY-AWEZNQCLSA-N 0 0 329.466 1.053 10 30 EDEERN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000176997843 442282687 /nfs/dbraw/zinc/28/26/87/442282687.db2.gz QDTBSUHLTSYXJM-GOEBONIOSA-N 0 0 349.456 1.208 10 30 EDEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178528428 442441120 /nfs/dbraw/zinc/44/11/20/442441120.db2.gz JFYHAMFAKUVJFZ-KXBFYZLASA-N 0 0 341.411 1.959 10 30 EDEERN CCN(C(=O)[C@H]1C[C@@H](O)CN1C(C)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000188734583 442798695 /nfs/dbraw/zinc/79/86/95/442798695.db2.gz JLPCLEOGTLRMRP-CSMYWGQOSA-N 0 0 329.400 1.449 10 30 EDEERN CC[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CCN1C[C@H](C)O ZINC000246319249 442771613 /nfs/dbraw/zinc/77/16/13/442771613.db2.gz YITWWCLXTVPLES-DZGCQCFKSA-N 0 0 337.445 1.024 10 30 EDEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(=O)NCC1CC1 ZINC000183791493 442964649 /nfs/dbraw/zinc/96/46/49/442964649.db2.gz KRAATEPCLZQEJQ-UHFFFAOYSA-N 0 0 346.387 1.819 10 30 EDEERN COc1cc(C#N)ccc1OCCN1CCOC[C@H]1c1nc(C)no1 ZINC000185077807 443131523 /nfs/dbraw/zinc/13/15/23/443131523.db2.gz LIGBXSWLCFWAOM-AWEZNQCLSA-N 0 0 344.371 1.711 10 30 EDEERN COc1ncc(C)cc1NC(=O)N1CCOC[C@@H]1c1nnc(C)o1 ZINC000328634516 444405875 /nfs/dbraw/zinc/40/58/75/444405875.db2.gz UBBDHRBTIFQJRE-GFCCVEGCSA-N 0 0 333.348 1.709 10 30 EDEERN O=C1c2ccccc2C(=O)C(NCCO)=C1I ZINC000584625130 448586234 /nfs/dbraw/zinc/58/62/34/448586234.db2.gz HZXHFDVGIXYOFP-UHFFFAOYSA-N 0 0 343.120 1.294 10 30 EDEERN COC(=O)Cc1cc([N+](=O)[O-])c(I)cc1C#N ZINC000575392589 449088663 /nfs/dbraw/zinc/08/86/63/449088663.db2.gz SJTOBFKYDUXYGD-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN O=C(CSC[C@H](O)CO)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000177447922 534663831 /nfs/dbraw/zinc/66/38/31/534663831.db2.gz IKSFOZXGKOHXSZ-CYBMUJFWSA-N 0 0 347.358 1.260 10 30 EDEERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000173741464 534780912 /nfs/dbraw/zinc/78/09/12/534780912.db2.gz VJFNMHAYHXNPBP-HNNXBMFYSA-N 0 0 330.413 1.917 10 30 EDEERN C#CCN(CCC)S(=O)(=O)c1cc(CN)oc1Br ZINC000165095369 526901780 /nfs/dbraw/zinc/90/17/80/526901780.db2.gz FGEAMEBMCCVVRN-UHFFFAOYSA-N 0 0 335.223 1.535 10 30 EDEERN C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182810735 527200279 /nfs/dbraw/zinc/20/02/79/527200279.db2.gz HKNGAHIZAWAUIN-DGCLKSJQSA-N 0 0 326.418 1.387 10 30 EDEERN CCCn1cc(CN2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)cn1 ZINC000181309682 528842555 /nfs/dbraw/zinc/84/25/55/528842555.db2.gz ACDYWGHPYWYFLB-UHFFFAOYSA-N 0 0 340.431 1.841 10 30 EDEERN Cc1noc(C[C@@]2(O)CCCN(Cc3ccc(C#N)cc3F)C2)n1 ZINC000888076172 590929928 /nfs/dbraw/zinc/92/99/28/590929928.db2.gz DHVSXVFOMLMDJF-KRWDZBQOSA-N 0 0 330.363 1.958 10 30 EDEERN Cc1cc(C(=O)NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)ncc1C#N ZINC000888078416 590935589 /nfs/dbraw/zinc/93/55/89/590935589.db2.gz PVWOGCLQNKAGEM-SUMWQHHRSA-N 0 0 339.399 1.893 10 30 EDEERN C#CCOCCC(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000154946569 697263338 /nfs/dbraw/zinc/26/33/38/697263338.db2.gz UMSIIVXDGVPCGC-OAHLLOKOSA-N 0 0 336.457 1.620 10 30 EDEERN C[C@@H](C/C(N)=N/O)NS(=O)(=O)c1cccc(Br)c1 ZINC000050389803 214055481 /nfs/dbraw/zinc/05/54/81/214055481.db2.gz YNPLAEXREMLFFZ-ZETCQYMHSA-N 0 0 336.211 1.252 10 30 EDEERN CNc1ncc(Br)cc1S(=O)(=O)N(C)C[C@H](C)C#N ZINC000050670700 214066327 /nfs/dbraw/zinc/06/63/27/214066327.db2.gz FACHCELXMIILRS-MRVPVSSYSA-N 0 0 347.238 1.666 10 30 EDEERN C#CCN[C@@H](C(=O)OC)c1cc2c(c(Br)c1)OCO2 ZINC000051963921 214110024 /nfs/dbraw/zinc/11/00/24/214110024.db2.gz OCDFOUSXTOWKES-LLVKDONJSA-N 0 0 326.146 1.615 10 30 EDEERN CCn1c(-c2ccc(OC)c(C#N)c2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000173744331 231021815 /nfs/dbraw/zinc/02/18/15/231021815.db2.gz AQJNYLGFPVZBSV-UHFFFAOYSA-N 0 0 339.355 1.473 10 30 EDEERN CCN(CCC(=O)OC)S(=O)(=O)c1cc(Cl)ccc1C#N ZINC000038024795 213193056 /nfs/dbraw/zinc/19/30/56/213193056.db2.gz KFCNTLPYLUSRDD-UHFFFAOYSA-N 0 0 330.793 1.785 10 30 EDEERN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)n1 ZINC000091244627 138283617 /nfs/dbraw/zinc/28/36/17/138283617.db2.gz WDYNBTZZYKNQQN-YPMHNXCESA-N 0 0 347.419 1.116 10 30 EDEERN O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ncn1CCS ZINC000072449978 216238722 /nfs/dbraw/zinc/23/87/22/216238722.db2.gz RIMFVTYJKZMOBQ-UHFFFAOYSA-N 0 0 342.359 1.570 10 30 EDEERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000188198676 138834235 /nfs/dbraw/zinc/83/42/35/138834235.db2.gz YSWDNGSJNPOJJJ-CQSZACIVSA-N 0 0 342.804 1.928 10 30 EDEERN C[C@@H]1CCCN(S(=O)(=O)NCc2sccc2C#CCO)C1 ZINC000148715249 223725501 /nfs/dbraw/zinc/72/55/01/223725501.db2.gz IRWSEWKXXGCERD-GFCCVEGCSA-N 0 0 328.459 1.158 10 30 EDEERN N#Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CC3)C2)ccc1Cl ZINC000187916607 272953760 /nfs/dbraw/zinc/95/37/60/272953760.db2.gz VFPZTIFGZQUHAN-UHFFFAOYSA-N 0 0 339.804 1.111 10 30 EDEERN CCOCCN1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000117368756 221057651 /nfs/dbraw/zinc/05/76/51/221057651.db2.gz ZRZUJKIJGLFYRC-AWEZNQCLSA-N 0 0 337.445 1.290 10 30 EDEERN N#C[C@]1([C@@H](O)c2cc3c(c(Cl)c2)OCO3)CCS(=O)(=O)C1 ZINC000157640243 224860293 /nfs/dbraw/zinc/86/02/93/224860293.db2.gz KTDOTSUUGMNGBC-QWHCGFSZSA-N 0 0 329.761 1.431 10 30 EDEERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc(F)c(C#N)c3)CCO2)[nH]1 ZINC000122121225 222018509 /nfs/dbraw/zinc/01/85/09/222018509.db2.gz VEOFPNPLBXLEKT-ZDUSSCGKSA-N 0 0 344.350 1.983 10 30 EDEERN Cc1cc(N2CCN(c3ncnc4c3cnn4C)CC2)c(C#N)c(C)n1 ZINC000160473283 267339236 /nfs/dbraw/zinc/33/92/36/267339236.db2.gz HLMFHZWKIZQEPM-UHFFFAOYSA-N 0 0 348.414 1.573 10 30 EDEERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(C#N)cc1C ZINC000088787079 441522702 /nfs/dbraw/zinc/52/27/02/441522702.db2.gz XAYUDNBPMUBQIX-ZDUSSCGKSA-N 0 0 345.428 1.834 10 30 EDEERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2sccc2C#N)ncn1 ZINC000173422310 441745028 /nfs/dbraw/zinc/74/50/28/441745028.db2.gz OMRNGDIJTJWLSM-GFCCVEGCSA-N 0 0 342.428 1.850 10 30 EDEERN C=CCN(CC=C)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000173428544 441746686 /nfs/dbraw/zinc/74/66/86/441746686.db2.gz DHXQXXGQBUILBX-CQSZACIVSA-N 0 0 330.436 1.871 10 30 EDEERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000121290426 442200115 /nfs/dbraw/zinc/20/01/15/442200115.db2.gz KXCSYVNYRUUIAR-CYBMUJFWSA-N 0 0 348.790 1.277 10 30 EDEERN N#CCCN(C(=O)CN1CCC[C@@H](n2cncn2)C1)c1ccccc1 ZINC000171704363 442372417 /nfs/dbraw/zinc/37/24/17/442372417.db2.gz OAJGRTFPJMTNDL-QGZVFWFLSA-N 0 0 338.415 1.862 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(F)cc1C#N)CC2 ZINC000177929273 442396041 /nfs/dbraw/zinc/39/60/41/442396041.db2.gz JQAYOBUSJKSAGW-GFCCVEGCSA-N 0 0 328.351 1.988 10 30 EDEERN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000172312209 442442262 /nfs/dbraw/zinc/44/22/62/442442262.db2.gz SOILZSRMUVOYMH-UHFFFAOYSA-N 0 0 341.371 1.217 10 30 EDEERN C#CCCCCC(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000180195434 442556369 /nfs/dbraw/zinc/55/63/69/442556369.db2.gz JYXNTVWEPBRHMF-GOSISDBHSA-N 0 0 344.455 1.764 10 30 EDEERN CC[C@@H](C#N)NC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000179236988 442602140 /nfs/dbraw/zinc/60/21/40/442602140.db2.gz QAQCGPVXEWKIHO-FZMZJTMJSA-N 0 0 348.428 1.168 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)C1(c3ccc(C#N)cc3)CC1)CC2 ZINC000187020649 442646230 /nfs/dbraw/zinc/64/62/30/442646230.db2.gz OTUWWIHPFKPVAV-OAHLLOKOSA-N 0 0 335.411 1.875 10 30 EDEERN C=C(C)CN(CC)C(=O)CS(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182395819 442763408 /nfs/dbraw/zinc/76/34/08/442763408.db2.gz QJTOOYZPZSYECO-UHFFFAOYSA-N 0 0 342.465 1.278 10 30 EDEERN C#CCC(C)(C)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000184058865 442986493 /nfs/dbraw/zinc/98/64/93/442986493.db2.gz LLUOMALXXPDZIP-QGZVFWFLSA-N 0 0 344.455 1.620 10 30 EDEERN CCN(c1nn(-c2ccccc2)nc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000256047587 443115628 /nfs/dbraw/zinc/11/56/28/443115628.db2.gz NFYNIDYMYMLIEW-CYBMUJFWSA-N 0 0 331.401 1.152 10 30 EDEERN CC(C)[C@@H](O)CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000191059021 443232446 /nfs/dbraw/zinc/23/24/46/443232446.db2.gz UDTOOWVTOMYHHA-HOTGVXAUSA-N 0 0 329.400 1.182 10 30 EDEERN C#CCSCCNC(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000185747380 443249857 /nfs/dbraw/zinc/24/98/57/443249857.db2.gz VQTCOVZIXRFZMR-KGLIPLIRSA-N 0 0 326.462 1.626 10 30 EDEERN N#Cc1cc(F)c(N2CCC[C@](O)(C(N)=O)C2)cc1Br ZINC000383794542 319126116 /nfs/dbraw/zinc/12/61/16/319126116.db2.gz NEUDVUQKQGPXOK-CYBMUJFWSA-N 0 0 342.168 1.276 10 30 EDEERN COCCN1C(=O)N[C@@H]2CN(Cc3cc(F)ccc3C#N)CC[C@@H]21 ZINC000299744991 444132089 /nfs/dbraw/zinc/13/20/89/444132089.db2.gz QNQGOABHROJCRQ-CVEARBPZSA-N 0 0 332.379 1.312 10 30 EDEERN N#Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000583616365 448442452 /nfs/dbraw/zinc/44/24/52/448442452.db2.gz IZBZWTOIGYJZGA-OAGGEKHMSA-N 0 0 336.413 1.109 10 30 EDEERN N#Cc1cccc(-c2cn3c(n2)N(C(=O)[C@H]2CCC(=O)N2)CCC3)c1 ZINC000065259557 490997181 /nfs/dbraw/zinc/99/71/81/490997181.db2.gz ZPACGWTYFCYNNR-CQSZACIVSA-N 0 0 335.367 1.437 10 30 EDEERN C=CCn1c(C)cc(C(=O)CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c1C ZINC000173669204 527295900 /nfs/dbraw/zinc/29/59/00/527295900.db2.gz NOEOSHCQCBUJDD-QGZVFWFLSA-N 0 0 343.431 1.974 10 30 EDEERN N#Cc1ccnc(N2CCCO[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000888103731 591031480 /nfs/dbraw/zinc/03/14/80/591031480.db2.gz WIVHKZVLGDWUJP-QGZVFWFLSA-N 0 0 336.395 1.979 10 30 EDEERN CNC(=O)C[C@@]1(O)CCCN(c2cc(C(F)(F)F)cnc2C#N)C1 ZINC000818144103 593674396 /nfs/dbraw/zinc/67/43/96/593674396.db2.gz QBZUPXCYIUBJSN-AWEZNQCLSA-N 0 0 342.321 1.439 10 30 EDEERN Cc1nccn1C[C@H]1CCCN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000122092775 282215605 /nfs/dbraw/zinc/21/56/05/282215605.db2.gz JNCYHQMLVFXFGX-MRXNPFEDSA-N 0 0 337.379 1.963 10 30 EDEERN C=CCNC(=O)c1ccccc1N1CCC(NC(=O)COC)CC1 ZINC000037524646 213152549 /nfs/dbraw/zinc/15/25/49/213152549.db2.gz UVEDRZSUIFPMSQ-UHFFFAOYSA-N 0 0 331.416 1.334 10 30 EDEERN Cc1cccc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCC3)c1C#N ZINC000126869680 138613013 /nfs/dbraw/zinc/61/30/13/138613013.db2.gz CPVAPDMAIICKHT-LBPRGKRZSA-N 0 0 345.428 1.834 10 30 EDEERN N#Cc1cccc(S(=O)(=O)CCN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000128493108 138621240 /nfs/dbraw/zinc/62/12/40/138621240.db2.gz HIHGZDRYRNIFRX-IRXDYDNUSA-N 0 0 334.441 1.975 10 30 EDEERN C[C@@H]1CCCN(S(=O)(=O)NCc2ccc(C#CCO)s2)C1 ZINC000071323349 215760296 /nfs/dbraw/zinc/76/02/96/215760296.db2.gz BTTNYLSFCCILEJ-GFCCVEGCSA-N 0 0 328.459 1.158 10 30 EDEERN C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000077938828 217003378 /nfs/dbraw/zinc/00/33/78/217003378.db2.gz RSZJGXQQUQKQBN-BBRMVZONSA-N 0 0 332.400 1.857 10 30 EDEERN CC(C)n1nnnc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000195079211 139006489 /nfs/dbraw/zinc/00/64/89/139006489.db2.gz MGKDGWKLQGEKDG-UHFFFAOYSA-N 0 0 325.420 1.838 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000078995495 217169182 /nfs/dbraw/zinc/16/91/82/217169182.db2.gz TWQMNNDFYKUJID-GXTWGEPZSA-N 0 0 348.374 1.444 10 30 EDEERN CNC(=O)Cn1cc([NH+]=C([O-])N2CCC[C@@H](n3cccn3)C2)cn1 ZINC000329094767 249813299 /nfs/dbraw/zinc/81/32/99/249813299.db2.gz BKGOFWKORPZWLX-CYBMUJFWSA-N 0 0 331.380 1.549 10 30 EDEERN N#Cc1ncccc1Cn1ncc(I)cc1=O ZINC000158587259 225048894 /nfs/dbraw/zinc/04/88/94/225048894.db2.gz PACUXXMIMLUCTD-UHFFFAOYSA-N 0 0 338.108 1.163 10 30 EDEERN CCn1cc(C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cn1 ZINC000159283757 225186226 /nfs/dbraw/zinc/18/62/26/225186226.db2.gz WXTVIJFNHNIJRP-UHFFFAOYSA-N 0 0 345.428 1.738 10 30 EDEERN C[C@@H](C(=O)[O-])[NH+]1CCN(c2cccc(Br)c2C#N)CC1 ZINC000168385411 226212992 /nfs/dbraw/zinc/21/29/92/226212992.db2.gz DKYYLGPEKPJBHO-JTQLQIEISA-N 0 0 338.205 1.916 10 30 EDEERN N#Cc1c(Br)cccc1NC1CCN(CC(N)=O)CC1 ZINC000169028466 226229616 /nfs/dbraw/zinc/22/96/16/226229616.db2.gz BFVIDJRBFKXULN-UHFFFAOYSA-N 0 0 337.221 1.682 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N2CCC(Nc3cccnn3)CC2)cn1 ZINC000122222427 222039940 /nfs/dbraw/zinc/03/99/40/222039940.db2.gz AODGRBHURXNRCQ-UHFFFAOYSA-N 0 0 344.400 1.008 10 30 EDEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000080337804 441162200 /nfs/dbraw/zinc/16/22/00/441162200.db2.gz MBDVJZOUHYZFDR-QAPCUYQASA-N 0 0 345.443 1.799 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)CC2 ZINC000114975586 441706417 /nfs/dbraw/zinc/70/64/17/441706417.db2.gz FLKRZOVEAMQQIF-HNNXBMFYSA-N 0 0 338.415 1.869 10 30 EDEERN CC(=O)N[C@@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173540158 441785288 /nfs/dbraw/zinc/78/52/88/441785288.db2.gz DZPQGODMPQZZPV-OAHLLOKOSA-N 0 0 325.372 1.709 10 30 EDEERN C#CCOc1ccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000120086644 442006044 /nfs/dbraw/zinc/00/60/44/442006044.db2.gz QQTYGPSQQGRGSB-KRWDZBQOSA-N 0 0 325.368 1.436 10 30 EDEERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000126867607 442149690 /nfs/dbraw/zinc/14/96/90/442149690.db2.gz BSRHHDRWIKUYTL-CYBMUJFWSA-N 0 0 338.367 1.572 10 30 EDEERN C#CCCCCNC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000163051626 442140585 /nfs/dbraw/zinc/14/05/85/442140585.db2.gz QOUMGPLUUUXERA-LLVKDONJSA-N 0 0 343.339 1.499 10 30 EDEERN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1C ZINC000152231630 442185247 /nfs/dbraw/zinc/18/52/47/442185247.db2.gz GZXUDRXZNLQQIE-BONVTDFDSA-N 0 0 337.383 1.824 10 30 EDEERN C=CCN(C[C@H](O)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121170016 442186507 /nfs/dbraw/zinc/18/65/07/442186507.db2.gz DQFAQMOSELOXTB-SJORKVTESA-N 0 0 339.457 1.239 10 30 EDEERN CN(C)C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000170657150 442243630 /nfs/dbraw/zinc/24/36/30/442243630.db2.gz QMMQUAZSOXUAIU-MRXNPFEDSA-N 0 0 330.413 1.534 10 30 EDEERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000176926963 442274928 /nfs/dbraw/zinc/27/49/28/442274928.db2.gz AUDCWZRONRFZDC-LBPRGKRZSA-N 0 0 340.387 1.297 10 30 EDEERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(CC#N)c1 ZINC000177703025 442373377 /nfs/dbraw/zinc/37/33/77/442373377.db2.gz KUNCIDNDTTVQON-CQSZACIVSA-N 0 0 325.372 1.755 10 30 EDEERN Cc1nnc([C@@H]2CN(C(=O)Nc3cccc(C#N)c3C)CCO2)[nH]1 ZINC000178575204 442445290 /nfs/dbraw/zinc/44/52/90/442445290.db2.gz PSABMYGCBAZKKQ-AWEZNQCLSA-N 0 0 326.360 1.899 10 30 EDEERN N#CCOc1cccc(CC(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188502245 442757158 /nfs/dbraw/zinc/75/71/58/442757158.db2.gz IAZXRRWCNZYWNQ-UHFFFAOYSA-N 0 0 327.384 1.259 10 30 EDEERN CC(=O)NC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000188565643 442763744 /nfs/dbraw/zinc/76/37/44/442763744.db2.gz YKRROILZLPDWLK-UHFFFAOYSA-N 0 0 347.318 1.086 10 30 EDEERN C[C@](C#N)(NC(=O)CN1C[C@@H](CO)[C@@H](c2ccsc2)C1)C1CC1 ZINC000249545046 442984808 /nfs/dbraw/zinc/98/48/08/442984808.db2.gz FYLWPXCUTQLMJN-YSVLISHTSA-N 0 0 333.457 1.564 10 30 EDEERN Cc1nc(C[C@H]2CCCN(CC(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000195517861 443027224 /nfs/dbraw/zinc/02/72/24/443027224.db2.gz AWRCHUTUBGIPEB-OAHLLOKOSA-N 0 0 345.447 1.975 10 30 EDEERN C=CCN(CCOC)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000190633424 443153404 /nfs/dbraw/zinc/15/34/04/443153404.db2.gz KJMHUUFSMLUJPJ-ZDUSSCGKSA-N 0 0 340.445 1.995 10 30 EDEERN C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C ZINC000186008417 443296499 /nfs/dbraw/zinc/29/64/99/443296499.db2.gz QWEDJOHFCKISKD-CHWSQXEVSA-N 0 0 334.395 1.294 10 30 EDEERN CCCc1n[nH]cc1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000328627694 444401774 /nfs/dbraw/zinc/40/17/74/444401774.db2.gz GMUKMQLZXQZLLK-LBPRGKRZSA-N 0 0 344.419 1.430 10 30 EDEERN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)n1 ZINC000179766904 526910169 /nfs/dbraw/zinc/91/01/69/526910169.db2.gz JLSHGLPYJIFBQW-YPMHNXCESA-N 0 0 347.419 1.116 10 30 EDEERN C=CCSCCNC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000177961386 526996221 /nfs/dbraw/zinc/99/62/21/526996221.db2.gz WEJFTPOHZYIKMR-NSHDSACASA-N 0 0 325.438 1.478 10 30 EDEERN CCCNC(=O)CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168578772 528372476 /nfs/dbraw/zinc/37/24/76/528372476.db2.gz DZYFLEXFZKSSEM-UHFFFAOYSA-N 0 0 329.809 1.406 10 30 EDEERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000181732630 528481860 /nfs/dbraw/zinc/48/18/60/528481860.db2.gz DQZSBTUSIWKYBV-CYBMUJFWSA-N 0 0 345.428 1.566 10 30 EDEERN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000176002482 231552764 /nfs/dbraw/zinc/55/27/64/231552764.db2.gz UEAKOPUTFXHPTN-ZDUSSCGKSA-N 0 0 342.334 1.091 10 30 EDEERN Cc1cc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)nc(C)n1 ZINC000059449087 214620402 /nfs/dbraw/zinc/62/04/02/214620402.db2.gz BMLXEICFCDBDAV-UHFFFAOYSA-N 0 0 339.384 1.545 10 30 EDEERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(C#N)cc1 ZINC000177694490 231960619 /nfs/dbraw/zinc/96/06/19/231960619.db2.gz JMNGJHMWLXNZBQ-CQSZACIVSA-N 0 0 325.372 1.490 10 30 EDEERN C[C@H](C#N)CN(C)S(=O)(=O)c1ccc(N)cc1Br ZINC000040335116 213291702 /nfs/dbraw/zinc/29/17/02/213291702.db2.gz OPDAKVATIAZQJS-MRVPVSSYSA-N 0 0 332.223 1.811 10 30 EDEERN CCNC(NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])=[NH+]CC ZINC000038244051 213206262 /nfs/dbraw/zinc/20/62/62/213206262.db2.gz MJHLGXKXOPOSNH-GFCCVEGCSA-N 0 0 344.456 1.710 10 30 EDEERN CCc1noc([C@H](C)N2CCN(C(=O)C3(C#N)CCCC3)CC2)n1 ZINC000112035419 237122091 /nfs/dbraw/zinc/12/20/91/237122091.db2.gz KXNYVFYPMVVGRF-ZDUSSCGKSA-N 0 0 331.420 1.921 10 30 EDEERN Cc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NC(=O)c1cccc(C#N)c1 ZINC000072321761 216150409 /nfs/dbraw/zinc/15/04/09/216150409.db2.gz FAIAPPHZFJAFMI-NCXUSEDFSA-N 0 0 336.391 1.874 10 30 EDEERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccccc3C#N)CCO2)c1 ZINC000112094578 220242951 /nfs/dbraw/zinc/24/29/51/220242951.db2.gz KZDJCNKRIBIIHV-HNNXBMFYSA-N 0 0 346.412 1.153 10 30 EDEERN COC(=O)CN(CC(=O)OC)c1cccc(Br)c1C#N ZINC000168532857 533492683 /nfs/dbraw/zinc/49/26/83/533492683.db2.gz IOHPTFQTEUECJP-UHFFFAOYSA-N 0 0 341.161 1.473 10 30 EDEERN COc1ccc(NC(=O)Cn2c(N)nnc2SCC#N)c(OC)c1 ZINC000001923412 440853776 /nfs/dbraw/zinc/85/37/76/440853776.db2.gz ANBYFXWXPGQEDC-UHFFFAOYSA-N 0 0 348.388 1.132 10 30 EDEERN N#C[C@@]1(NS(=O)(=O)c2cncc(Br)c2)CCSC1 ZINC000044244824 440828485 /nfs/dbraw/zinc/82/84/85/440828485.db2.gz CLRFETZLAVCPRH-JTQLQIEISA-N 0 0 348.247 1.522 10 30 EDEERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000106368143 441335108 /nfs/dbraw/zinc/33/51/08/441335108.db2.gz MZIWDTKSLKOQME-CQSZACIVSA-N 0 0 345.428 1.738 10 30 EDEERN C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173411408 441738875 /nfs/dbraw/zinc/73/88/75/441738875.db2.gz LANJFAXBNAJYQD-KGLIPLIRSA-N 0 0 333.436 1.585 10 30 EDEERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000119909433 441973894 /nfs/dbraw/zinc/97/38/94/441973894.db2.gz CLRIHLWEMQHOBP-LBPRGKRZSA-N 0 0 333.392 1.992 10 30 EDEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000150698458 441932709 /nfs/dbraw/zinc/93/27/09/441932709.db2.gz OKJDQSPSTFJKLZ-CQSZACIVSA-N 0 0 325.372 1.958 10 30 EDEERN N#Cc1cc(CN2CCN(c3ccc4nncn4n3)CC2)ccc1F ZINC000120008020 441992763 /nfs/dbraw/zinc/99/27/63/441992763.db2.gz LIGXAUWCJWYZCC-UHFFFAOYSA-N 0 0 337.362 1.457 10 30 EDEERN C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000127688846 442219797 /nfs/dbraw/zinc/21/97/97/442219797.db2.gz CUDWULPRYFUSBJ-GFCCVEGCSA-N 0 0 328.372 1.596 10 30 EDEERN Cc1oc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c(C#N)c1C ZINC000177220868 442315281 /nfs/dbraw/zinc/31/52/81/442315281.db2.gz IWZLBBCHZCBLNG-MLGOLLRUSA-N 0 0 346.431 1.359 10 30 EDEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(CC#N)c1 ZINC000177703013 442373194 /nfs/dbraw/zinc/37/31/94/442373194.db2.gz KUNCIDNDTTVQON-AWEZNQCLSA-N 0 0 325.372 1.755 10 30 EDEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1COc2ccccc21 ZINC000187834195 442694297 /nfs/dbraw/zinc/69/42/97/442694297.db2.gz KPAZRIRLBZNQAP-OAHLLOKOSA-N 0 0 336.347 1.887 10 30 EDEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188507279 442758279 /nfs/dbraw/zinc/75/82/79/442758279.db2.gz CVYDTWLSCVRQIM-GFCCVEGCSA-N 0 0 327.384 1.453 10 30 EDEERN N#Cc1ccc(OCCNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188874329 442832766 /nfs/dbraw/zinc/83/27/66/442832766.db2.gz QHCOGMXAWWIRCF-UHFFFAOYSA-N 0 0 342.399 1.247 10 30 EDEERN COCC(=O)N[C@H]1CCC12CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000257196245 443123274 /nfs/dbraw/zinc/12/32/74/443123274.db2.gz XWFKGIVWENSAHY-INIZCTEOSA-N 0 0 341.411 1.706 10 30 EDEERN COC(=O)Cc1cc(I)c(C#N)cc1[N+](=O)[O-] ZINC000575392593 449087920 /nfs/dbraw/zinc/08/79/20/449087920.db2.gz SMEFEKYLTHYROC-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN Cc1noc([C@@H]2COCCN2S(=O)(=O)Cc2cccc(C#N)c2)n1 ZINC000183745895 518194312 /nfs/dbraw/zinc/19/43/12/518194312.db2.gz FYVNLEGXHMLDLR-AWEZNQCLSA-N 0 0 348.384 1.153 10 30 EDEERN CCOC(=O)C(C(=O)c1ccc(OC)cc1)=C(N)NCc1ccco1 ZINC000004622912 520397568 /nfs/dbraw/zinc/39/75/68/520397568.db2.gz QDFSDFMUQDJTTG-ICFOKQHNSA-N 0 0 344.367 1.994 10 30 EDEERN N#CCCCS(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000128712593 534620803 /nfs/dbraw/zinc/62/08/03/534620803.db2.gz KFRYBVKKSHENKQ-CYBMUJFWSA-N 0 0 337.449 1.775 10 30 EDEERN C=CCN(CCO)S(=O)(=O)c1ccc(Cl)c(CO)c1Cl ZINC000135946058 526275745 /nfs/dbraw/zinc/27/57/45/526275745.db2.gz PXEFJUKTOOGLMT-UHFFFAOYSA-N 0 0 340.228 1.655 10 30 EDEERN C=CCNc1ncc(C(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)s1 ZINC000129368330 526680544 /nfs/dbraw/zinc/68/05/44/526680544.db2.gz BLORPPKPLQGPKY-SNVBAGLBSA-N 0 0 348.432 1.635 10 30 EDEERN C=CCN(CC=C)C(=O)[C@H](C)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864409 527633216 /nfs/dbraw/zinc/63/32/16/527633216.db2.gz UNMOZTBTHVZUAM-CABCVRRESA-N 0 0 347.463 1.646 10 30 EDEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@@]2(O)CCSC2)C1 ZINC000329385705 535219384 /nfs/dbraw/zinc/21/93/84/535219384.db2.gz QAKMAFSWXBDYQT-IAQYHMDHSA-N 0 0 338.433 1.592 10 30 EDEERN COc1ccc(C#N)cc1CN1CC[C@](O)(c2cn(C(C)C)nn2)C1 ZINC000794082799 580872223 /nfs/dbraw/zinc/87/22/23/580872223.db2.gz BNYZQEUNXUXQAS-GOSISDBHSA-N 0 0 341.415 1.833 10 30 EDEERN CN(Cc1cc(C#CCO)cs1)S(=O)(=O)C1CCOCC1 ZINC000050200389 214049933 /nfs/dbraw/zinc/04/99/33/214049933.db2.gz CUIAFILOTZNXGE-UHFFFAOYSA-N 0 0 329.443 1.033 10 30 EDEERN N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173986943 231090561 /nfs/dbraw/zinc/09/05/61/231090561.db2.gz CVJHDUVOHVFDEX-HNNXBMFYSA-N 0 0 348.834 1.557 10 30 EDEERN CCn1cc(CN2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)cn1 ZINC000181294532 234144324 /nfs/dbraw/zinc/14/43/24/234144324.db2.gz BHSSKCHDJWDRHK-UHFFFAOYSA-N 0 0 326.404 1.451 10 30 EDEERN C[C@@H](O)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 ZINC000091224223 138283141 /nfs/dbraw/zinc/28/31/41/138283141.db2.gz BXPWFZWFQJLQHM-LLVKDONJSA-N 0 0 347.419 1.068 10 30 EDEERN CC(/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@H](O)C2=CO1)=C\[C@@H](C)CCO ZINC000036374707 213091336 /nfs/dbraw/zinc/09/13/36/213091336.db2.gz AROQRNPRGIWLRE-XGICFUDHSA-N 0 0 332.396 1.926 10 30 EDEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000332993958 249933610 /nfs/dbraw/zinc/93/36/10/249933610.db2.gz BTKGZOYDAFSXER-NYTXWWLZSA-N 0 0 331.420 1.858 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1C)CC2 ZINC000114874666 220772788 /nfs/dbraw/zinc/77/27/88/220772788.db2.gz CUXVMTFICHDPIY-ZDUSSCGKSA-N 0 0 345.428 1.314 10 30 EDEERN Cc1nc(CN2C[C@H]3CN(C(=O)C4(C#N)CC4)C[C@H]3C2=O)cs1 ZINC000503715202 257832778 /nfs/dbraw/zinc/83/27/78/257832778.db2.gz CVZZLKGABRROIB-WCQYABFASA-N 0 0 330.413 1.172 10 30 EDEERN N#Cc1ccc(-c2nnc(CN3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)o2)cc1 ZINC000329165980 140698277 /nfs/dbraw/zinc/69/82/77/140698277.db2.gz HURIGWGFTBVIGS-UONOGXRCSA-N 0 0 344.396 1.227 10 30 EDEERN CCOc1cc(C)nc(N2CCN(Cc3ccc(C#N)o3)CC2)n1 ZINC000121527198 221866182 /nfs/dbraw/zinc/86/61/82/221866182.db2.gz UAVJHDBHKXYWQX-UHFFFAOYSA-N 0 0 327.388 1.971 10 30 EDEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000105279848 441247013 /nfs/dbraw/zinc/24/70/13/441247013.db2.gz LUTXEWKOJQBBLZ-INIZCTEOSA-N 0 0 348.403 1.623 10 30 EDEERN N#Cc1ccc(F)c(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000105817001 441277128 /nfs/dbraw/zinc/27/71/28/441277128.db2.gz MVLHNHZHKKACSX-UHFFFAOYSA-N 0 0 337.362 1.457 10 30 EDEERN N#Cc1c(Cl)nsc1N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000092664421 441818180 /nfs/dbraw/zinc/81/81/80/441818180.db2.gz GANDHXNMHNXDIG-NSHDSACASA-N 0 0 340.836 1.886 10 30 EDEERN COc1cc(C#N)ccc1OCCN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173667018 441819046 /nfs/dbraw/zinc/81/90/46/441819046.db2.gz XITNIHQDJAOUTE-MRXNPFEDSA-N 0 0 343.387 1.446 10 30 EDEERN C#Cc1cccc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000119621766 441942899 /nfs/dbraw/zinc/94/28/99/441942899.db2.gz LEWGBUQZNINZFQ-UHFFFAOYSA-N 0 0 336.395 1.742 10 30 EDEERN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCCn2ncnc21 ZINC000125952079 442064270 /nfs/dbraw/zinc/06/42/70/442064270.db2.gz KKRXIIPCQYMYRY-NSHDSACASA-N 0 0 337.792 1.617 10 30 EDEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000176590958 442238372 /nfs/dbraw/zinc/23/83/72/442238372.db2.gz MAKOWQDLIKZEJZ-NSHDSACASA-N 0 0 331.397 1.791 10 30 EDEERN Cn1cc([C@H]2CCCN2CCS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000128609906 442277559 /nfs/dbraw/zinc/27/75/59/442277559.db2.gz MTCMHGODQIIPJN-QGZVFWFLSA-N 0 0 344.440 1.903 10 30 EDEERN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@H]1N1CCOCC1 ZINC000177902651 442394534 /nfs/dbraw/zinc/39/45/34/442394534.db2.gz DRRICAZDYYNKNE-MLGOLLRUSA-N 0 0 332.379 1.882 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)CC2 ZINC000172029307 442401510 /nfs/dbraw/zinc/40/15/10/442401510.db2.gz CZVTVKMUAKKFOZ-ZDUSSCGKSA-N 0 0 342.378 1.665 10 30 EDEERN N#CCOc1ccc(CNc2cc(N3CCC[C@@H]3CO)ncn2)cc1 ZINC000171543868 442355292 /nfs/dbraw/zinc/35/52/92/442355292.db2.gz SIGPYYXPOOSWGK-OAHLLOKOSA-N 0 0 339.399 1.952 10 30 EDEERN C[C@@H](NC(=O)COc1ccccc1C#N)c1nnc2n1CCCC2 ZINC000135356499 442585338 /nfs/dbraw/zinc/58/53/38/442585338.db2.gz JXCGZHPQVWYARH-GFCCVEGCSA-N 0 0 325.372 1.742 10 30 EDEERN C#CCOc1ccccc1NC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000188083698 442709246 /nfs/dbraw/zinc/70/92/46/442709246.db2.gz NKPNGIWEMMLFKS-HNNXBMFYSA-N 0 0 331.416 1.883 10 30 EDEERN CCOc1cc(C)nc(N2CCN(C(=O)NC[C@H](C)C#N)CC2)n1 ZINC000182827999 442831570 /nfs/dbraw/zinc/83/15/70/442831570.db2.gz GPKYEGKEDTWXSY-GFCCVEGCSA-N 0 0 332.408 1.175 10 30 EDEERN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000248252938 442887136 /nfs/dbraw/zinc/88/71/36/442887136.db2.gz NAXVLNVUGLCYCD-WFASDCNBSA-N 0 0 338.429 1.448 10 30 EDEERN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000184686190 443060023 /nfs/dbraw/zinc/06/00/23/443060023.db2.gz WMFFITCYRNOSLA-SNVBAGLBSA-N 0 0 337.792 1.096 10 30 EDEERN CC(=NN=Cc1ccc(C#N)cc1)c1nnn(-c2nonc2N)c1C ZINC000254531895 443076386 /nfs/dbraw/zinc/07/63/86/443076386.db2.gz BSWNJQOPLQGSKD-UHFFFAOYSA-N 0 0 335.331 1.256 10 30 EDEERN N#CCCN(C(=O)CN1C[C@@H](O)C[C@@H]1CO)c1cccc(Cl)c1 ZINC000185145248 443148276 /nfs/dbraw/zinc/14/82/76/443148276.db2.gz ATEUQRDOMCJLFN-CABCVRRESA-N 0 0 337.807 1.014 10 30 EDEERN CCO[C@@H]1C[C@@H](NS(=O)(=O)CCCCC#N)C12CCOCC2 ZINC000185153758 443149138 /nfs/dbraw/zinc/14/91/38/443149138.db2.gz IFVCRWGOTNDDPR-ZIAGYGMSSA-N 0 0 330.450 1.574 10 30 EDEERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000190981797 443219131 /nfs/dbraw/zinc/21/91/31/443219131.db2.gz IGCLGOLVDJJEDG-SECBINFHSA-N 0 0 327.793 1.111 10 30 EDEERN C=CCCOCCNC(=O)N[C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185903722 443280202 /nfs/dbraw/zinc/28/02/02/443280202.db2.gz UMWGOSFXMFMSGZ-LSDHHAIUSA-N 0 0 326.437 1.853 10 30 EDEERN COCCN1C(=O)N[C@@H]2CN(Cc3ccc(F)cc3C#N)CC[C@@H]21 ZINC000299740522 444128739 /nfs/dbraw/zinc/12/87/39/444128739.db2.gz BIOOXSSUSCWFMF-CVEARBPZSA-N 0 0 332.379 1.312 10 30 EDEERN O=C(NCc1ccoc1)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328629991 444402807 /nfs/dbraw/zinc/40/28/07/444402807.db2.gz IXWZLPIYICOQQP-GJZGRUSLSA-N 0 0 333.367 1.686 10 30 EDEERN NC(=O)c1noc([C@@H]2CCCN2CC(=O)NCc2cccs2)n1 ZINC000328624233 444399491 /nfs/dbraw/zinc/39/94/91/444399491.db2.gz CHLZWBZGSNWFLE-JTQLQIEISA-N 0 0 335.389 1.524 10 30 EDEERN N#Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000583616366 448442567 /nfs/dbraw/zinc/44/25/67/448442567.db2.gz IZBZWTOIGYJZGA-XHSDSOJGSA-N 0 0 336.413 1.109 10 30 EDEERN CCN1CCO[C@@H](CNc2ccc(C#N)nc2)[C@@H]1c1cnn(C)c1 ZINC000596449546 449507675 /nfs/dbraw/zinc/50/76/75/449507675.db2.gz KNCHVIWPXKSRIU-IRXDYDNUSA-N 0 0 326.404 1.561 10 30 EDEERN Cn1cc(O[C@@H]2CN(Cc3cn4ccccc4c3C#N)C[C@H]2O)cn1 ZINC000599500843 450024681 /nfs/dbraw/zinc/02/46/81/450024681.db2.gz ASYDZNMOGVMZNI-QZTJIDSGSA-N 0 0 337.383 1.169 10 30 EDEERN C=C(Br)CNC(=O)c1cc(N)cc(S(C)(=O)=O)c1 ZINC000161334017 526429696 /nfs/dbraw/zinc/42/96/96/526429696.db2.gz KTNDURDLADVJHD-UHFFFAOYSA-N 0 0 333.207 1.311 10 30 EDEERN C=C(C)CS(=O)(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000189612374 526677906 /nfs/dbraw/zinc/67/79/06/526677906.db2.gz AQVQCUAALSVJBE-GFCCVEGCSA-N 0 0 328.438 1.217 10 30 EDEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105806362 527927057 /nfs/dbraw/zinc/92/70/57/527927057.db2.gz YAPJDTVGWRDIBS-SFHVURJKSA-N 0 0 344.463 1.432 10 30 EDEERN CCCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169265113 528380784 /nfs/dbraw/zinc/38/07/84/528380784.db2.gz OBMVYPHSUMUMMC-UHFFFAOYSA-N 0 0 329.809 1.358 10 30 EDEERN CC[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)CCN1C[C@@H](C)O ZINC000174609796 529363704 /nfs/dbraw/zinc/36/37/04/529363704.db2.gz DJPWFJJHTGGAGZ-GDBMZVCRSA-N 0 0 347.484 1.954 10 30 EDEERN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC000329064133 535220473 /nfs/dbraw/zinc/22/04/73/535220473.db2.gz VQMUXXADNZLLAE-GXTWGEPZSA-N 0 0 335.408 1.054 10 30 EDEERN N#Cc1ccccc1N1CC(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)C1 ZINC000888095350 591025828 /nfs/dbraw/zinc/02/58/28/591025828.db2.gz WTQOCMVRQQPEEY-IAGOWNOFSA-N 0 0 341.411 1.041 10 30 EDEERN CN([C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)CCCCC#N ZINC000128405417 530033404 /nfs/dbraw/zinc/03/34/04/530033404.db2.gz SZFLGNURAWPBNP-CQSZACIVSA-N 0 0 337.449 1.401 10 30 EDEERN C=CCN(CC=C)CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000066215823 215022634 /nfs/dbraw/zinc/02/26/34/215022634.db2.gz WACLKJHGGPDGMW-UHFFFAOYSA-N 0 0 343.427 1.772 10 30 EDEERN N#Cc1cc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)ccc1F ZINC000102879425 219237705 /nfs/dbraw/zinc/23/77/05/219237705.db2.gz RQZGASMJKHUDAE-OAHLLOKOSA-N 0 0 326.331 1.915 10 30 EDEERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C#N)cn1 ZINC000132587819 223345306 /nfs/dbraw/zinc/34/53/06/223345306.db2.gz APDXIWPISIDLBW-AWEZNQCLSA-N 0 0 334.376 1.957 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3nccs3)C2)cc1 ZINC000111343503 220142417 /nfs/dbraw/zinc/14/24/17/220142417.db2.gz LHZZMGHWOGPOEQ-ZDUSSCGKSA-N 0 0 335.410 1.777 10 30 EDEERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C#N)cc1C ZINC000081074082 217357941 /nfs/dbraw/zinc/35/79/41/217357941.db2.gz OZPKRLOVLMHMAB-CYBMUJFWSA-N 0 0 331.401 1.580 10 30 EDEERN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000133497442 533164013 /nfs/dbraw/zinc/16/40/13/533164013.db2.gz BHVKKRPBSQRDJB-NWDGAFQWSA-N 0 0 326.360 1.705 10 30 EDEERN CC(C)(C#N)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000117311797 221052090 /nfs/dbraw/zinc/05/20/90/221052090.db2.gz VJLLXMBQALEDQL-OAHLLOKOSA-N 0 0 331.416 1.120 10 30 EDEERN C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C)[C@@H](C#N)C1 ZINC000333261763 277786168 /nfs/dbraw/zinc/78/61/68/277786168.db2.gz UPHMOTYOZLMKAV-GJZGRUSLSA-N 0 0 330.436 1.740 10 30 EDEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1CCCC1=O ZINC000111685419 441539990 /nfs/dbraw/zinc/53/99/90/441539990.db2.gz UGGXYKGJTRTJHU-MRXNPFEDSA-N 0 0 333.388 1.566 10 30 EDEERN CC#CCOC(=O)C1=C(N)c2c(sc3c2CC[C@@H](O)C3)N[C@@H]1C ZINC000095935520 441952756 /nfs/dbraw/zinc/95/27/56/441952756.db2.gz BJZPKZASHXIWOD-NXEZZACHSA-N 0 0 332.425 1.648 10 30 EDEERN C[C@@H](SC[C@H](O)CO)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177434191 442340952 /nfs/dbraw/zinc/34/09/52/442340952.db2.gz RTMLQUZQQCIRNP-RKDXNWHRSA-N 0 0 326.443 1.522 10 30 EDEERN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000155381173 442393409 /nfs/dbraw/zinc/39/34/09/442393409.db2.gz KPRVNGMPXNFDPA-FUHWJXTLSA-N 0 0 344.459 1.584 10 30 EDEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172207189 442424101 /nfs/dbraw/zinc/42/41/01/442424101.db2.gz ABNGSDMTNSWEKY-AWEZNQCLSA-N 0 0 337.383 1.555 10 30 EDEERN C[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H]1CCCO1 ZINC000192585673 442666056 /nfs/dbraw/zinc/66/60/56/442666056.db2.gz CCCRPJLUQDYPTH-AAEUAGOBSA-N 0 0 332.404 1.737 10 30 EDEERN C=CCNC(=O)CNC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000181716889 442711817 /nfs/dbraw/zinc/71/18/17/442711817.db2.gz DPOIIXQALRICKR-INIZCTEOSA-N 0 0 331.416 1.168 10 30 EDEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000189160737 442889669 /nfs/dbraw/zinc/88/96/69/442889669.db2.gz LWGSBUJGYACCKJ-RDTXWAMCSA-N 0 0 348.447 1.569 10 30 EDEERN N#Cc1ccccc1OCCN1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000328638549 444407790 /nfs/dbraw/zinc/40/77/90/444407790.db2.gz PDGBOVGIQUBZRR-LBPRGKRZSA-N 0 0 327.344 1.256 10 30 EDEERN Cc1nnc2n1CCN(C1CN(C(=O)NCC3(C4CC4)CC3)C1)C2 ZINC000328656930 444416795 /nfs/dbraw/zinc/41/67/95/444416795.db2.gz ZUXLEXXFURTVEG-UHFFFAOYSA-N 0 0 330.436 1.191 10 30 EDEERN C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000176099074 526911445 /nfs/dbraw/zinc/91/14/45/526911445.db2.gz RXTKFTLAMSZNCQ-AWEZNQCLSA-N 0 0 341.371 1.433 10 30 EDEERN C=CCOc1ccccc1CNC(=O)NC[C@H](C)N1CCOCC1 ZINC000111452942 526941685 /nfs/dbraw/zinc/94/16/85/526941685.db2.gz URZWFWZZGDYGFG-HNNXBMFYSA-N 0 0 333.432 1.771 10 30 EDEERN C=CCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1 ZINC000168918468 527327437 /nfs/dbraw/zinc/32/74/37/527327437.db2.gz YAIDEFBILLZOKG-UHFFFAOYSA-N 0 0 333.207 1.402 10 30 EDEERN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCC2CCOCC2)C1 ZINC000329308100 536099504 /nfs/dbraw/zinc/09/95/04/536099504.db2.gz YRJCZPRJISZWKI-AWEZNQCLSA-N 0 0 347.481 1.073 10 30 EDEERN C=C(Br)CNC(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000154357709 696994261 /nfs/dbraw/zinc/99/42/61/696994261.db2.gz AOJRXXOACXMMMK-SECBINFHSA-N 0 0 328.214 1.883 10 30 EDEERN N#Cc1ccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)c(F)c1 ZINC000174767923 231304283 /nfs/dbraw/zinc/30/42/83/231304283.db2.gz WZMNWDVIKNFUTN-AWEZNQCLSA-N 0 0 328.351 1.836 10 30 EDEERN Cc1nccn1C[C@@H]1CCCN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000122092550 282211166 /nfs/dbraw/zinc/21/11/66/282211166.db2.gz JNCYHQMLVFXFGX-INIZCTEOSA-N 0 0 337.379 1.963 10 30 EDEERN CN1C(=O)CC[C@@H](C(=O)N2CC(O)(CC#N)C2)[C@@H]1c1ccccc1 ZINC000193986004 282606866 /nfs/dbraw/zinc/60/68/66/282606866.db2.gz AACBKOSQUVDBMF-ZBFHGGJFSA-N 0 0 327.384 1.083 10 30 EDEERN N#Cc1ccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000123203771 283173171 /nfs/dbraw/zinc/17/31/71/283173171.db2.gz DQRHDQHHKZIFAO-KBXCAEBGSA-N 0 0 327.384 1.650 10 30 EDEERN C[C@H]1CN(S(=O)(=O)c2ccccc2C#CCO)C[C@H](C)S1 ZINC000070388935 215689214 /nfs/dbraw/zinc/68/92/14/215689214.db2.gz DEMRBWKRXUXDQM-STQMWFEESA-N 0 0 325.455 1.545 10 30 EDEERN Cc1nnc([C@@H]2CN(C(=O)c3ccccc3OCC#N)CCO2)[nH]1 ZINC000173534489 237261706 /nfs/dbraw/zinc/26/17/06/237261706.db2.gz FLKUVUOFKDHUFP-AWEZNQCLSA-N 0 0 327.344 1.229 10 30 EDEERN C=CCC[C@@H](CN(C)CC(=O)N(C)C)Oc1ncc(Cl)cn1 ZINC000072407515 216198000 /nfs/dbraw/zinc/19/80/00/216198000.db2.gz ZFIPWTXNMJBLFO-ZDUSSCGKSA-N 0 0 326.828 1.864 10 30 EDEERN CC(=O)NC1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000188551486 138844681 /nfs/dbraw/zinc/84/46/81/138844681.db2.gz WDQMXTBQCGTRSR-UHFFFAOYSA-N 0 0 347.318 1.086 10 30 EDEERN N#Cc1cccc(N2C[C@]3(CCN(C(=O)[C@@H]4CCCO4)C3)CC2=O)c1 ZINC000247657467 257680294 /nfs/dbraw/zinc/68/02/94/257680294.db2.gz QIHQYTBJNJOCEW-QFBILLFUSA-N 0 0 339.395 1.693 10 30 EDEERN COCCN1C(=O)N[C@@H]2CN(c3cc(Cl)ccc3C#N)CC[C@@H]21 ZINC000299743267 132421932 /nfs/dbraw/zinc/42/19/32/132421932.db2.gz MVAFDKYDDWDOTK-KGLIPLIRSA-N 0 0 334.807 1.831 10 30 EDEERN N#Cc1ccnc(N2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)c1 ZINC000329816704 140766754 /nfs/dbraw/zinc/76/67/54/140766754.db2.gz FBDISSHJEFUQPJ-HNNXBMFYSA-N 0 0 341.415 1.891 10 30 EDEERN Cc1cnn(C[C@H]2CN(C(=O)NCc3ccc(C#N)cc3)CCO2)c1 ZINC000171839721 227309866 /nfs/dbraw/zinc/30/98/66/227309866.db2.gz ISOCYHLRLNVDPG-QGZVFWFLSA-N 0 0 339.399 1.674 10 30 EDEERN Cc1ccc(S(=O)(=O)NNC2=CC(=O)CCC2)cc1[N+](=O)[O-] ZINC000006788839 441015383 /nfs/dbraw/zinc/01/53/83/441015383.db2.gz GJEQNINXLUULPB-UVTDQMKNSA-N 0 0 325.346 1.681 10 30 EDEERN CCn1cc(CN2CCCN(C(=O)c3ccc(C#N)cn3)CC2)cn1 ZINC000107596422 441420911 /nfs/dbraw/zinc/42/09/11/441420911.db2.gz YWQZZYXBJPZITA-UHFFFAOYSA-N 0 0 338.415 1.518 10 30 EDEERN C#CCN1C(=O)CSc2nnc(COc3cccc(OC)c3)n21 ZINC000034809987 441600899 /nfs/dbraw/zinc/60/08/99/441600899.db2.gz LNFJMZVJBCGPJE-UHFFFAOYSA-N 0 0 330.369 1.069 10 30 EDEERN C=CCCOCCNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000122371886 441847682 /nfs/dbraw/zinc/84/76/82/441847682.db2.gz LKCJJDSONNARGH-UHFFFAOYSA-N 0 0 337.424 1.188 10 30 EDEERN C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1N1CCOCC1 ZINC000175764919 442118535 /nfs/dbraw/zinc/11/85/35/442118535.db2.gz IGPLIMDFJAXPIP-CXAGYDPISA-N 0 0 346.406 1.559 10 30 EDEERN Cc1ncc(CN2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)s1 ZINC000165232068 442207689 /nfs/dbraw/zinc/20/76/89/442207689.db2.gz ZPKOOZQHDGOVKH-UHFFFAOYSA-N 0 0 340.474 1.203 10 30 EDEERN N#CCOc1ccccc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127591820 442213766 /nfs/dbraw/zinc/21/37/66/442213766.db2.gz NEBDFLFFYCCTBD-CQSZACIVSA-N 0 0 325.372 1.733 10 30 EDEERN CCn1cc([C@@H]2CN(C(=O)COc3ccccc3C#N)CCO2)cn1 ZINC000191768238 442507733 /nfs/dbraw/zinc/50/77/33/442507733.db2.gz UJMKAJZMSUXBSJ-KRWDZBQOSA-N 0 0 340.383 1.754 10 30 EDEERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccccc1C#N)CC2 ZINC000157595903 442596348 /nfs/dbraw/zinc/59/63/48/442596348.db2.gz ONFWTOQFRSZHID-GFCCVEGCSA-N 0 0 331.401 1.005 10 30 EDEERN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000249905172 443007907 /nfs/dbraw/zinc/00/79/07/443007907.db2.gz URXFYAFAULIGMZ-HUUCEWRRSA-N 0 0 332.452 1.486 10 30 EDEERN CCn1cc(C2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)cn1 ZINC000195500072 443025719 /nfs/dbraw/zinc/02/57/19/443025719.db2.gz MQWGOHZZWVBJIW-GOSISDBHSA-N 0 0 329.448 1.891 10 30 EDEERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N(CCC#N)CCC#N ZINC000249734284 443002361 /nfs/dbraw/zinc/00/23/61/443002361.db2.gz CZFIFNMEMXZXNM-XHSDSOJGSA-N 0 0 346.431 1.448 10 30 EDEERN C[C@H](NC(=O)CN1CCO[C@H](c2nncn2C)C1)c1ccccc1 ZINC000328632546 444404512 /nfs/dbraw/zinc/40/45/12/444404512.db2.gz LJZHLNTWBYEYMG-ZFWWWQNUSA-N 0 0 329.404 1.906 10 30 EDEERN CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000591617974 448410161 /nfs/dbraw/zinc/41/01/61/448410161.db2.gz LOVQMIJCDKBDDT-OCCSQVGLSA-N 0 0 332.385 1.432 10 30 EDEERN N#Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000583616363 448442090 /nfs/dbraw/zinc/44/20/90/448442090.db2.gz IZBZWTOIGYJZGA-ARFHVFGLSA-N 0 0 336.413 1.109 10 30 EDEERN O=C[C@H](O)[C@H](COCc1ccccc1)[C@H](O)COCc1ccccc1 ZINC000584602478 448584302 /nfs/dbraw/zinc/58/43/02/448584302.db2.gz LWAVNMQYAHQROD-SLFFLAALSA-N 0 0 344.407 1.957 10 30 EDEERN CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCN(CC#N)CC1 ZINC000597274570 449911627 /nfs/dbraw/zinc/91/16/27/449911627.db2.gz QBDLICSLVXYABG-HUUCEWRRSA-N 0 0 331.420 1.038 10 30 EDEERN C[C@@H](CNC(=O)c1ccc(C#CCCO)c(Cl)c1)[S@@](C)=O ZINC000166124217 534035893 /nfs/dbraw/zinc/03/58/93/534035893.db2.gz PMHGHGNOXORFNQ-MQJDWESPSA-N 0 0 327.833 1.571 10 30 EDEERN Cn1ccnc1[C@@H]1[C@@H](CNC(=O)C#CC2CC2)CCC(=O)N1C1CC1 ZINC000856438083 595990018 /nfs/dbraw/zinc/99/00/18/595990018.db2.gz HIGBNCRBMLRRFH-KDOFPFPSSA-N 0 0 340.427 1.392 10 30 EDEERN N#Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)ccc1F ZINC000173983760 231089351 /nfs/dbraw/zinc/08/93/51/231089351.db2.gz JJQKWHQEKCDNKN-GFCCVEGCSA-N 0 0 335.364 1.315 10 30 EDEERN C=CCN(CC=C)CC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000066215803 215021950 /nfs/dbraw/zinc/02/19/50/215021950.db2.gz JZCSVCNAIJNZBI-UHFFFAOYSA-N 0 0 343.427 1.772 10 30 EDEERN C=C(C)C(=O)NCc1nc2ccccc2n1CC(=O)N1CCCC1 ZINC000040194309 213280426 /nfs/dbraw/zinc/28/04/26/213280426.db2.gz UPNMLGJMPHIQND-UHFFFAOYSA-N 0 0 326.400 1.851 10 30 EDEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000105888265 219579919 /nfs/dbraw/zinc/57/99/19/219579919.db2.gz RWOSFFRFDCUYGW-YOEHRIQHSA-N 0 0 339.399 1.483 10 30 EDEERN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C\c1ccccc1 ZINC000213633033 241094262 /nfs/dbraw/zinc/09/42/62/241094262.db2.gz BEZCBPQYJXJLBU-LDCOFTPGSA-N 0 0 339.438 1.109 10 30 EDEERN N#Cc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cc1Cl ZINC000195045614 139005462 /nfs/dbraw/zinc/00/54/62/139005462.db2.gz NAPRHTQXNAMCJG-CQSZACIVSA-N 0 0 346.818 1.847 10 30 EDEERN COc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000248641416 139169666 /nfs/dbraw/zinc/16/96/66/139169666.db2.gz MNSQTBVIHHGPQN-KGLIPLIRSA-N 0 0 336.413 1.899 10 30 EDEERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000119420558 221315372 /nfs/dbraw/zinc/31/53/72/221315372.db2.gz IQCUGWBDUAYSMN-UHFFFAOYSA-N 0 0 337.383 1.636 10 30 EDEERN N#Cc1cccc(NC(=O)C(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000119602544 221357641 /nfs/dbraw/zinc/35/76/41/221357641.db2.gz PQDPJVZTOVQQOS-UHFFFAOYSA-N 0 0 337.383 1.632 10 30 EDEERN N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2nncs2)cc1 ZINC000503716374 257831966 /nfs/dbraw/zinc/83/19/66/257831966.db2.gz LFFPNDWDVLNQIC-KBPBESRZSA-N 0 0 325.397 1.903 10 30 EDEERN N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3CCn4ccnc4C3)n2)c1 ZINC000374101953 157142629 /nfs/dbraw/zinc/14/26/29/157142629.db2.gz NBRLFHLWNFFURL-HNNXBMFYSA-N 0 0 346.394 1.933 10 30 EDEERN N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)c2cccs2)cc1 ZINC000163385155 225963760 /nfs/dbraw/zinc/96/37/60/225963760.db2.gz BPNAEIGRKGLYKI-UHFFFAOYSA-N 0 0 341.435 1.867 10 30 EDEERN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nnc2n1CCCC2 ZINC000121715758 221913598 /nfs/dbraw/zinc/91/35/98/221913598.db2.gz RBTZOEGKEKBHHX-LLVKDONJSA-N 0 0 331.401 1.526 10 30 EDEERN C=CCCOCCNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000122466940 222093478 /nfs/dbraw/zinc/09/34/78/222093478.db2.gz CDXGWEGMOPEHKX-UHFFFAOYSA-N 0 0 335.452 1.230 10 30 EDEERN CCOCCN1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1C ZINC000105834813 276322061 /nfs/dbraw/zinc/32/20/61/276322061.db2.gz GHIGNPVGLXDDFT-INIZCTEOSA-N 0 0 336.480 1.372 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NC(=O)C#Cc1ccc3c(c1)OCO3)CC2 ZINC000119106308 276702979 /nfs/dbraw/zinc/70/29/79/276702979.db2.gz XEVSGKGFZJWOOB-ZDUSSCGKSA-N 0 0 338.367 1.052 10 30 EDEERN CN1C(=O)CC[C@H](C(=O)N2CC(O)(CC#N)C2)[C@@H]1c1ccccc1 ZINC000193986036 289800395 /nfs/dbraw/zinc/80/03/95/289800395.db2.gz AACBKOSQUVDBMF-HOCLYGCPSA-N 0 0 327.384 1.083 10 30 EDEERN C#CCNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000045906477 441058126 /nfs/dbraw/zinc/05/81/26/441058126.db2.gz ZZTBTZNGHPACKU-CYBMUJFWSA-N 0 0 337.763 1.752 10 30 EDEERN O=C1Nc2ccc(F)cc2/C1=N\NC(=S)N[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000008553461 441095074 /nfs/dbraw/zinc/09/50/74/441095074.db2.gz PKOCLWMNQICPDX-IGJMFERPSA-N 0 0 330.388 1.911 10 30 EDEERN CC(=O)C/N=C1/N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000020161533 441263297 /nfs/dbraw/zinc/26/32/97/441263297.db2.gz VTQNADMYSAVTEK-PEZBUJJGSA-N 0 0 347.400 1.765 10 30 EDEERN CC[C@H](O)CN1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000106398181 441339379 /nfs/dbraw/zinc/33/93/79/441339379.db2.gz FUKNQJPJXQMZFN-KRWDZBQOSA-N 0 0 347.484 1.707 10 30 EDEERN N#CC1(NC(=O)CN2CCC(Cn3cccn3)CC2)CCCCC1 ZINC000105886307 441306391 /nfs/dbraw/zinc/30/63/91/441306391.db2.gz QHOHNXIQZBNXJL-UHFFFAOYSA-N 0 0 329.448 1.938 10 30 EDEERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)CCCC#N)C2)n1 ZINC000116899895 441859327 /nfs/dbraw/zinc/85/93/27/441859327.db2.gz CESSJMOOQIZMHG-AWEZNQCLSA-N 0 0 325.438 1.241 10 30 EDEERN C=CCn1c(SCc2nnnn2C(C)C)nnc1-c1cnccn1 ZINC000124032041 441905595 /nfs/dbraw/zinc/90/55/95/441905595.db2.gz BXPKGYBEWAPFGM-UHFFFAOYSA-N 0 0 343.420 1.781 10 30 EDEERN Cc1cnn(CCNC(=O)CCc2c(C)nn(CCC#N)c2C)c1 ZINC000117818719 441879638 /nfs/dbraw/zinc/87/96/38/441879638.db2.gz RBUDSPUVWUSUEJ-UHFFFAOYSA-N 0 0 328.420 1.668 10 30 EDEERN C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)C[C@@H]1N1CCOCC1 ZINC000177246693 442319383 /nfs/dbraw/zinc/31/93/83/442319383.db2.gz KQSWKAPGCMRUAT-PBHICJAKSA-N 0 0 328.416 1.149 10 30 EDEERN C#CCOc1ccc(C(=O)N2CCOC[C@H]2c2nc(C)no2)cc1 ZINC000155523385 442405160 /nfs/dbraw/zinc/40/51/60/442405160.db2.gz NNVZMGSJYPOSPI-HNNXBMFYSA-N 0 0 327.340 1.604 10 30 EDEERN N#CC1(c2ccc(C(=O)N3CC[C@H](N4CCOCC4)C3)cc2)CC1 ZINC000181537466 442702753 /nfs/dbraw/zinc/70/27/53/442702753.db2.gz NEBKCODIFPHPIA-KRWDZBQOSA-N 0 0 325.412 1.788 10 30 EDEERN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000193017102 442705819 /nfs/dbraw/zinc/70/58/19/442705819.db2.gz DGANXKUVTCQDQH-KBPBESRZSA-N 0 0 346.431 1.721 10 30 EDEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182810680 442828627 /nfs/dbraw/zinc/82/86/27/442828627.db2.gz HKNGAHIZAWAUIN-AAEUAGOBSA-N 0 0 326.418 1.387 10 30 EDEERN Cc1nnc([C@H]2CN([C@H](C)C(=O)NC3(C#N)CCCCC3)CCO2)[nH]1 ZINC000247226951 442842335 /nfs/dbraw/zinc/84/23/35/442842335.db2.gz WNQJKICXHZBCBP-TZMCWYRMSA-N 0 0 346.435 1.218 10 30 EDEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000194823742 442959120 /nfs/dbraw/zinc/95/91/20/442959120.db2.gz WQUMTCHGFPDGEU-CQSZACIVSA-N 0 0 327.384 1.575 10 30 EDEERN CCc1ccccc1-n1nc(C#N)c(N(C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000256046224 443115328 /nfs/dbraw/zinc/11/53/28/443115328.db2.gz DNVDORLYTQJTQO-CYBMUJFWSA-N 0 0 345.428 1.325 10 30 EDEERN COCC(=O)N[C@@H]1CCC12CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000257180172 443118343 /nfs/dbraw/zinc/11/83/43/443118343.db2.gz KFPCHDMZXZIPTG-MRXNPFEDSA-N 0 0 341.411 1.706 10 30 EDEERN N#Cc1ccc(C(=O)N2CCC[C@H](CO)CCNC(=O)CC2)cc1 ZINC000257184228 443118569 /nfs/dbraw/zinc/11/85/69/443118569.db2.gz UADNUNMLLPIQFS-HNNXBMFYSA-N 0 0 329.400 1.299 10 30 EDEERN Cc1cc(NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)c(C#N)c(C)n1 ZINC000328629597 444402564 /nfs/dbraw/zinc/40/25/64/444402564.db2.gz IKCLUDIUPVWZCR-HOTGVXAUSA-N 0 0 342.422 1.750 10 30 EDEERN N#Cc1ccccc1[C@@H]1CNCCN1S(=O)(=O)c1ccccc1 ZINC000616604074 450455184 /nfs/dbraw/zinc/45/51/84/450455184.db2.gz JRXCCDRGNLPOEM-KRWDZBQOSA-N 0 0 327.409 1.893 10 30 EDEERN COc1cc(/C=N/n2nnnc2N)ccc1OCCc1ccccc1 ZINC000000469180 522003748 /nfs/dbraw/zinc/00/37/48/522003748.db2.gz FYEZNGBQLFPGSZ-XDHOZWIPSA-N 0 0 338.371 1.768 10 30 EDEERN N#CCCN1CCN(C(=O)c2cc(N)cc(Br)c2)CC1 ZINC000158779417 534647920 /nfs/dbraw/zinc/64/79/20/534647920.db2.gz UEMAYNRUYCTFKS-UHFFFAOYSA-N 0 0 337.221 1.703 10 30 EDEERN C=CCN(CCO)S(=O)(=O)c1cc(Cl)cc(CO)c1Cl ZINC000135947181 526274694 /nfs/dbraw/zinc/27/46/94/526274694.db2.gz IUKPOVGQACEYHR-UHFFFAOYSA-N 0 0 340.228 1.655 10 30 EDEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864424 526536480 /nfs/dbraw/zinc/53/64/80/526536480.db2.gz LPTTWFGPBWPXNU-HUUCEWRRSA-N 0 0 349.479 1.870 10 30 EDEERN C=CC1CCN(C(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000125897633 597182066 /nfs/dbraw/zinc/18/20/66/597182066.db2.gz XTHJIOKUYUNZLA-LBPRGKRZSA-N 0 0 347.440 1.538 10 30 EDEERN Cc1cccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c1C#N ZINC000174946553 231352876 /nfs/dbraw/zinc/35/28/76/231352876.db2.gz HKLMYIHONDDUQM-UHFFFAOYSA-N 0 0 337.383 1.935 10 30 EDEERN CCc1nccn1[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000105897779 529760676 /nfs/dbraw/zinc/76/06/76/529760676.db2.gz HBZJMYMLISZWFE-MRXNPFEDSA-N 0 0 342.447 1.738 10 30 EDEERN N#C[C@]1(NS(=O)(=O)c2c(Cl)nc3ccccn32)CCSC1 ZINC000040691421 213370340 /nfs/dbraw/zinc/37/03/40/213370340.db2.gz NZFDTAHBZPQWCM-GFCCVEGCSA-N 0 0 342.833 1.665 10 30 EDEERN Cc1cnn(C[C@H]2CN(C(=O)c3ccccc3OCC#N)CCO2)c1 ZINC000112062183 237121781 /nfs/dbraw/zinc/12/17/81/237121781.db2.gz RJGBFBHLWYOSIY-OAHLLOKOSA-N 0 0 340.383 1.635 10 30 EDEERN CCNC(=[NH+]CC)S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000022001537 212268556 /nfs/dbraw/zinc/26/85/56/212268556.db2.gz OHVLUMXZCQGDPV-GFCCVEGCSA-N 0 0 349.412 1.735 10 30 EDEERN Cc1nc(CN2CCCN(C(=O)c3cccc(C#N)c3)CC2)no1 ZINC000109922619 220003158 /nfs/dbraw/zinc/00/31/58/220003158.db2.gz AXKVDSYOBHFFNF-UHFFFAOYSA-N 0 0 325.372 1.598 10 30 EDEERN N#CCN(CC#N)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000020613539 212155468 /nfs/dbraw/zinc/15/54/68/212155468.db2.gz RNPJGVJEKRFNTQ-SNVBAGLBSA-N 0 0 334.738 1.708 10 30 EDEERN COCCN1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1C ZINC000177054430 285051572 /nfs/dbraw/zinc/05/15/72/285051572.db2.gz TZAVDMXDXYWQRG-YOEHRIQHSA-N 0 0 331.416 1.425 10 30 EDEERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000114875077 220771668 /nfs/dbraw/zinc/77/16/68/220771668.db2.gz CIEPXSZWZUKUKE-GFCCVEGCSA-N 0 0 331.401 1.005 10 30 EDEERN Cc1cnn(CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1 ZINC000117810054 221092400 /nfs/dbraw/zinc/09/24/00/221092400.db2.gz DQDJARRVKFRTID-UHFFFAOYSA-N 0 0 335.371 1.261 10 30 EDEERN C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)COC(C)(C)C ZINC000154851549 224315637 /nfs/dbraw/zinc/31/56/37/224315637.db2.gz BOQLAOTTYPHLQU-KGLIPLIRSA-N 0 0 333.436 1.035 10 30 EDEERN N#C[C@@H]1CNCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165957091 226141472 /nfs/dbraw/zinc/14/14/72/226141472.db2.gz WMHIHIFJIMSMEV-LLVKDONJSA-N 0 0 339.149 1.295 10 30 EDEERN N#C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(N)c2Cl)CCO1 ZINC000165983386 226143684 /nfs/dbraw/zinc/14/36/84/226143684.db2.gz CQBPEENIDSTABA-SSDOTTSWSA-N 0 0 336.200 1.489 10 30 EDEERN C=CCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OCc2ccccc2)[C@H]1OC(C)=O ZINC000044166903 440823601 /nfs/dbraw/zinc/82/36/01/440823601.db2.gz VKYNKOPEBGEDAP-KMJFJPQNSA-N 0 0 336.384 1.812 10 30 EDEERN COCCN1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000105831686 441283839 /nfs/dbraw/zinc/28/38/39/441283839.db2.gz YZWJBUXCJYXDFP-CABCVRRESA-N 0 0 330.432 1.538 10 30 EDEERN N#Cc1ccc(NC(=O)CCN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000105889829 441309295 /nfs/dbraw/zinc/30/92/95/441309295.db2.gz JIRZWQWSPOJZGZ-QGZVFWFLSA-N 0 0 339.399 1.484 10 30 EDEERN O=C(Cc1cc(N2CCOCC2)nc(-c2cccc(Cl)c2)n1)NO ZINC000033754692 441597163 /nfs/dbraw/zinc/59/71/63/441597163.db2.gz REAYJEQXXUGDBM-UHFFFAOYSA-N 0 0 348.790 1.682 10 30 EDEERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)CCCCC#N ZINC000068875823 441862940 /nfs/dbraw/zinc/86/29/40/441862940.db2.gz MOOYHWOHINQAQF-IHRRRGAJSA-N 0 0 328.434 1.816 10 30 EDEERN N#CCNC(=O)CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161140005 441961575 /nfs/dbraw/zinc/96/15/75/441961575.db2.gz VHCYXUHEVREYGD-OLZOCXBDSA-N 0 0 327.306 1.453 10 30 EDEERN Cn1cc(CCCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cn1 ZINC000171244054 442333397 /nfs/dbraw/zinc/33/33/97/442333397.db2.gz SHKNVMGKWKDWNR-UHFFFAOYSA-N 0 0 338.820 1.856 10 30 EDEERN CC[C@H](O)CN1CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000180051290 442533630 /nfs/dbraw/zinc/53/36/30/442533630.db2.gz YJSRZPQKBZOMFM-CABCVRRESA-N 0 0 346.431 1.898 10 30 EDEERN CCCCOC[C@@H](O)CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000193371320 442736665 /nfs/dbraw/zinc/73/66/65/442736665.db2.gz IRMIGHMFGCZUQU-HNNXBMFYSA-N 0 0 335.423 1.997 10 30 EDEERN C#CCOCCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000183273806 442915177 /nfs/dbraw/zinc/91/51/77/442915177.db2.gz FBCVTEJIZDHMAJ-SOUVJXGZSA-N 0 0 336.432 1.788 10 30 EDEERN N#Cc1cccc(OCCCCC(=O)N2CC(NC(=O)C3CC3)C2)c1 ZINC000189461692 442960094 /nfs/dbraw/zinc/96/00/94/442960094.db2.gz GGASJCABMJSLJL-UHFFFAOYSA-N 0 0 341.411 1.844 10 30 EDEERN C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000183664455 442950796 /nfs/dbraw/zinc/95/07/96/442950796.db2.gz BBYFLFSMYSEGPR-DLBZAZTESA-N 0 0 347.503 1.733 10 30 EDEERN Cc1ccc(-n2nc(C#N)c(N(C)[C@@H]3CCS(=O)(=O)C3)n2)c(C)c1 ZINC000256046144 443115623 /nfs/dbraw/zinc/11/56/23/443115623.db2.gz DAZNRYODCZPXPS-CYBMUJFWSA-N 0 0 345.428 1.379 10 30 EDEERN N#CCc1ccc(OC[C@H](O)CN2CC(NC(=O)C3CCC3)C2)cc1 ZINC000185937831 443287037 /nfs/dbraw/zinc/28/70/37/443287037.db2.gz DTQXRZYWJQSLGY-QGZVFWFLSA-N 0 0 343.427 1.093 10 30 EDEERN N#CCc1cccc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1 ZINC000299742422 444130014 /nfs/dbraw/zinc/13/00/14/444130014.db2.gz HWDQEPCOCCFZTD-VXGBXAGGSA-N 0 0 325.290 1.488 10 30 EDEERN COCCN1C(=O)N[C@@H]2CN(c3c(F)cc(C#N)cc3F)CC[C@@H]21 ZINC000299743860 444131314 /nfs/dbraw/zinc/13/13/14/444131314.db2.gz PNQYMBHDVAQQRL-KGLIPLIRSA-N 0 0 336.342 1.455 10 30 EDEERN C#CCNC(=O)c1cc(I)c(CCC)[nH]c1=O ZINC000584633201 448587542 /nfs/dbraw/zinc/58/75/42/448587542.db2.gz VUCNRKMGNPKPCU-UHFFFAOYSA-N 0 0 344.152 1.707 10 30 EDEERN CCOCCN1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000247200493 535608599 /nfs/dbraw/zinc/60/85/99/535608599.db2.gz OXQYCQLQNRZJFS-JKSUJKDBSA-N 0 0 344.459 1.928 10 30 EDEERN C=CCCC[C@H](C)NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000126754107 597561205 /nfs/dbraw/zinc/56/12/05/597561205.db2.gz AFUSEGDIHPNIDF-STQMWFEESA-N 0 0 349.456 1.975 10 30 EDEERN C=CCOc1ccc(Cl)cc1CN1CCC2(CC1)NCCNC2=O ZINC000067540809 215159522 /nfs/dbraw/zinc/15/95/22/215159522.db2.gz KZSIKZHDGMTCEP-UHFFFAOYSA-N 0 0 349.862 1.959 10 30 EDEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180971699 234048603 /nfs/dbraw/zinc/04/86/03/234048603.db2.gz KZJGPXHRMVJQNC-HNNXBMFYSA-N 0 0 345.428 1.559 10 30 EDEERN Cn1c(CN(c2cccc(C#N)c2)S(C)(=O)=O)nnc1C1CC1 ZINC000181876287 234363711 /nfs/dbraw/zinc/36/37/11/234363711.db2.gz VBWGCXMPNYJGQW-UHFFFAOYSA-N 0 0 331.401 1.530 10 30 EDEERN N#Cc1cnccc1NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000563048499 306316970 /nfs/dbraw/zinc/31/69/70/306316970.db2.gz KDIRIXZJCPBQNO-LIRRHRJNSA-N 0 0 333.395 1.934 10 30 EDEERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000088787117 138272858 /nfs/dbraw/zinc/27/28/58/138272858.db2.gz JMWNXQVMYAVZMI-ZDUSSCGKSA-N 0 0 349.391 1.665 10 30 EDEERN CCc1noc([C@@H](C)N2CCN(C(=O)C3(C#N)CCCC3)CC2)n1 ZINC000112035418 237119468 /nfs/dbraw/zinc/11/94/68/237119468.db2.gz KXNYVFYPMVVGRF-CYBMUJFWSA-N 0 0 331.420 1.921 10 30 EDEERN C#CCC(CC#C)C(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 ZINC000377279429 250287813 /nfs/dbraw/zinc/28/78/13/250287813.db2.gz ZTQDEDFRKWSERI-MRXNPFEDSA-N 0 0 326.400 1.105 10 30 EDEERN COC[C@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000171527246 532958287 /nfs/dbraw/zinc/95/82/87/532958287.db2.gz BFMBYZYKBSUIKJ-ZDUSSCGKSA-N 0 0 341.415 1.657 10 30 EDEERN COCCN1CCN(C(=O)CSc2ccc(C#N)cc2)C[C@@H]1C ZINC000117292320 221045950 /nfs/dbraw/zinc/04/59/50/221045950.db2.gz UGTDMKJPEVWPGF-AWEZNQCLSA-N 0 0 333.457 1.829 10 30 EDEERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)cn1 ZINC000171431891 227077952 /nfs/dbraw/zinc/07/79/52/227077952.db2.gz QFZJOKAFXPWVBM-HNNXBMFYSA-N 0 0 334.376 1.957 10 30 EDEERN COC1(OC)C=CC(=O)C=C1NC(=O)c1ccccc1OC(C)=O ZINC000013831391 441166921 /nfs/dbraw/zinc/16/69/21/441166921.db2.gz NYHYQDXXVQAQGX-UHFFFAOYSA-N 0 0 331.324 1.354 10 30 EDEERN COc1ccc(S(=O)(=O)NN=Cc2ccc3c(c2)OCO3)cc1 ZINC000013111966 441153178 /nfs/dbraw/zinc/15/31/78/441153178.db2.gz HQIFYPAGDZCFPD-UHFFFAOYSA-N 0 0 334.353 1.736 10 30 EDEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000081603461 441295285 /nfs/dbraw/zinc/29/52/85/441295285.db2.gz FEVXGLRTVNLCBB-ZDUSSCGKSA-N 0 0 329.381 1.545 10 30 EDEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000105892322 441310091 /nfs/dbraw/zinc/31/00/91/441310091.db2.gz JJDOOYQIDZBADC-IRXDYDNUSA-N 0 0 334.464 1.705 10 30 EDEERN N#Cc1c(Cl)nsc1N1CCN(c2ccc3nncn3n2)CC1 ZINC000108947016 441482124 /nfs/dbraw/zinc/48/21/24/441482124.db2.gz MPUCPTUFCSHNRG-UHFFFAOYSA-N 0 0 346.807 1.432 10 30 EDEERN O=C(Cc1cc(N2CCOCC2)nc(-c2cccc(F)c2)n1)NO ZINC000033754698 441597189 /nfs/dbraw/zinc/59/71/89/441597189.db2.gz ZERAIUAUGDKYMS-UHFFFAOYSA-N 0 0 332.335 1.167 10 30 EDEERN C#CCSCCNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000121508704 441721057 /nfs/dbraw/zinc/72/10/57/441721057.db2.gz AMUORPOJHRDYIA-UHFFFAOYSA-N 0 0 335.477 1.004 10 30 EDEERN NC(=O)[C@H]1COCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000092228864 441780892 /nfs/dbraw/zinc/78/08/92/441780892.db2.gz KZSZSFYGOAGSKL-CYBMUJFWSA-N 0 0 328.290 1.123 10 30 EDEERN C#Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000123189755 441879300 /nfs/dbraw/zinc/87/93/00/441879300.db2.gz BJMGHDKLAPVHRB-KXBFYZLASA-N 0 0 326.396 1.760 10 30 EDEERN CC(C)[N@H+]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC000125758681 442046089 /nfs/dbraw/zinc/04/60/89/442046089.db2.gz DTFMPSWZSBHDPU-HZMBPMFUSA-N 0 0 343.399 1.843 10 30 EDEERN C#CCOc1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000121282884 442199528 /nfs/dbraw/zinc/19/95/28/442199528.db2.gz HHRIIDNUVSKLPZ-MRXNPFEDSA-N 0 0 336.395 1.887 10 30 EDEERN N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)cc1C(F)(F)F ZINC000120961849 442157725 /nfs/dbraw/zinc/15/77/25/442157725.db2.gz XISLLZPWUXOPOL-NSHDSACASA-N 0 0 341.289 1.499 10 30 EDEERN Cc1nnc([C@H]2CN(C(=O)Nc3cc(C#N)ccc3C)CCO2)[nH]1 ZINC000177056487 442291259 /nfs/dbraw/zinc/29/12/59/442291259.db2.gz FPKFFEZWFNSXMK-CQSZACIVSA-N 0 0 326.360 1.899 10 30 EDEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000178824199 442494979 /nfs/dbraw/zinc/49/49/79/442494979.db2.gz DEBXIPQGUSETCR-CYBMUJFWSA-N 0 0 335.364 1.315 10 30 EDEERN C=CCCS(=O)(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192150045 442603954 /nfs/dbraw/zinc/60/39/54/442603954.db2.gz VLIMEUXUFSOGGT-UHFFFAOYSA-N 0 0 346.493 1.630 10 30 EDEERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)O1 ZINC000248699086 442919312 /nfs/dbraw/zinc/91/93/12/442919312.db2.gz DRRADLHEXWHIML-KCXAZCMYSA-N 0 0 327.384 1.343 10 30 EDEERN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249535918 442984244 /nfs/dbraw/zinc/98/42/44/442984244.db2.gz CKVNBKHWKASRHT-INMHGKMJSA-N 0 0 335.473 1.810 10 30 EDEERN CNC(=O)[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(C)C ZINC000184618576 443050088 /nfs/dbraw/zinc/05/00/88/443050088.db2.gz CBMCRYVUGLVJNK-CYBMUJFWSA-N 0 0 341.375 1.031 10 30 EDEERN COc1ccccc1-n1nc(C#N)c(N2CCCC[C@@H]2CCO)n1 ZINC000256046245 443115366 /nfs/dbraw/zinc/11/53/66/443115366.db2.gz DSIHYLOBSKWGNN-CYBMUJFWSA-N 0 0 327.388 1.889 10 30 EDEERN N#Cc1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCCC[C@H]1CCO ZINC000256049360 443116079 /nfs/dbraw/zinc/11/60/79/443116079.db2.gz ZMXCNJXLYMOQQE-LBPRGKRZSA-N 0 0 342.359 1.788 10 30 EDEERN Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)c1C#N ZINC000190752898 443176075 /nfs/dbraw/zinc/17/60/75/443176075.db2.gz GYJSQDVNTGJCQS-CQSZACIVSA-N 0 0 337.383 1.693 10 30 EDEERN N#Cc1cccc(OCCN2CCC[C@@H]2c2nc(C(N)=O)no2)c1 ZINC000328629446 444402592 /nfs/dbraw/zinc/40/25/92/444402592.db2.gz IFVRHFJYWICIEG-CYBMUJFWSA-N 0 0 327.344 1.256 10 30 EDEERN N#C[C@H]1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000584596811 448583055 /nfs/dbraw/zinc/58/30/55/448583055.db2.gz ILLZXBMXXWXRHN-XYPYZODXSA-N 0 0 338.389 1.984 10 30 EDEERN CCn1cc(O[C@@H]2CN(c3ccc(Cl)c(C#N)n3)C[C@H]2O)cn1 ZINC000599113552 449744472 /nfs/dbraw/zinc/74/44/72/449744472.db2.gz QGTGLRPDKIJPLB-ZIAGYGMSSA-N 0 0 333.779 1.452 10 30 EDEERN C#CCSCCNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000172470633 517306631 /nfs/dbraw/zinc/30/66/31/517306631.db2.gz HOALQXBJIDXENE-ZDUSSCGKSA-N 0 0 338.454 1.571 10 30 EDEERN C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1N1CCOCC1 ZINC000173879528 534307809 /nfs/dbraw/zinc/30/78/09/534307809.db2.gz KYJRRDSSTDNVFG-QAPCUYQASA-N 0 0 343.427 1.311 10 30 EDEERN C#CCCNS(=O)(=O)c1cc(N)c(Br)cc1OC ZINC000161199793 526737932 /nfs/dbraw/zinc/73/79/32/526737932.db2.gz FXOSLOJPIJDQNP-UHFFFAOYSA-N 0 0 333.207 1.342 10 30 EDEERN C#CCSCCNC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000154796162 527141305 /nfs/dbraw/zinc/14/13/05/527141305.db2.gz SGIFMVOWZCTBNN-UHFFFAOYSA-N 0 0 349.504 1.487 10 30 EDEERN C=CCCO[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174977487 527402162 /nfs/dbraw/zinc/40/21/62/527402162.db2.gz JFKKRHZXFIBCPF-KGLIPLIRSA-N 0 0 334.420 1.321 10 30 EDEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864735 528621713 /nfs/dbraw/zinc/62/17/13/528621713.db2.gz WHTUSNIVLCMSOH-UONOGXRCSA-N 0 0 348.451 1.065 10 30 EDEERN CCOCCN1CCN(C(=O)c2ccccc2OCC#N)C[C@H]1C ZINC000117279608 595605274 /nfs/dbraw/zinc/60/52/74/595605274.db2.gz ORVUSRMOBLKLOV-OAHLLOKOSA-N 0 0 331.416 1.772 10 30 EDEERN N#CCCN(CCN1CCOCC1)S(=O)(=O)/C=C\c1ccccc1 ZINC000210113100 597609330 /nfs/dbraw/zinc/60/93/30/597609330.db2.gz SJIFUZPKNTYIAQ-APSNUPSMSA-N 0 0 349.456 1.535 10 30 EDEERN C#CCCCNC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000175287544 697718321 /nfs/dbraw/zinc/71/83/21/697718321.db2.gz XLPUAFGYTAJBSZ-SNVBAGLBSA-N 0 0 329.312 1.109 10 30 EDEERN CC[C@H](CC#N)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000054178472 214221753 /nfs/dbraw/zinc/22/17/53/214221753.db2.gz GWHCMRJQEFUESF-SECBINFHSA-N 0 0 334.394 1.200 10 30 EDEERN C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(Br)cc1N ZINC000063086238 214742151 /nfs/dbraw/zinc/74/21/51/214742151.db2.gz AIVFPSNBTPDPHU-QMMMGPOBSA-N 0 0 332.223 1.954 10 30 EDEERN Cc1c(C(=O)Nc2cccc(C#N)c2)cnn1[C@@H]1CCS(=O)(=O)C1 ZINC000049658564 214025631 /nfs/dbraw/zinc/02/56/31/214025631.db2.gz GSUYREAUADVGDO-CQSZACIVSA-N 0 0 344.396 1.675 10 30 EDEERN CC(C)(C)OC[C@@H](O)CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101729687 219159502 /nfs/dbraw/zinc/15/95/02/219159502.db2.gz WKNLNYHTEJOLNV-HNNXBMFYSA-N 0 0 335.423 1.995 10 30 EDEERN CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C ZINC000003870419 210082263 /nfs/dbraw/zinc/08/22/63/210082263.db2.gz MOPRTFSMCQNUCT-CABCVRRESA-N 0 0 349.431 1.018 10 30 in-vivo EDEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180971678 234048405 /nfs/dbraw/zinc/04/84/05/234048405.db2.gz KZJGPXHRMVJQNC-OAHLLOKOSA-N 0 0 345.428 1.559 10 30 EDEERN CSC[C@@H](C)CNS(=O)(=O)c1ccc(C#CCO)cc1Cl ZINC000069462427 215432657 /nfs/dbraw/zinc/43/26/57/215432657.db2.gz ZOFNZOPAYIVPHP-NSHDSACASA-N 0 0 347.889 1.961 10 30 EDEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000178528414 138742608 /nfs/dbraw/zinc/74/26/08/138742608.db2.gz JFYHAMFAKUVJFZ-HNAYVOBHSA-N 0 0 341.411 1.959 10 30 EDEERN C[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)N1CCOCC1 ZINC000129390203 223051110 /nfs/dbraw/zinc/05/11/10/223051110.db2.gz KSQBEDPGIVZHQE-CQSZACIVSA-N 0 0 331.416 1.553 10 30 EDEERN C=CCC[C@@H](CN(C)CC(=O)N(C)C)Oc1cc(C)nc(N(C)C)n1 ZINC000072453580 216241534 /nfs/dbraw/zinc/24/15/34/216241534.db2.gz YZDQVBVKQZCAQT-HNNXBMFYSA-N 0 0 349.479 1.585 10 30 EDEERN N#Cc1cccc(S(=O)(=O)CCN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000245532504 139078239 /nfs/dbraw/zinc/07/82/39/139078239.db2.gz HIHGZDRYRNIFRX-SJORKVTESA-N 0 0 334.441 1.975 10 30 EDEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000333586928 249943483 /nfs/dbraw/zinc/94/34/83/249943483.db2.gz KSXGREJXYJIYJV-YESZJQIVSA-N 0 0 340.427 1.821 10 30 EDEERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)ncn1 ZINC000181319060 533049718 /nfs/dbraw/zinc/04/97/18/533049718.db2.gz QCSXMCCISPDUGS-CYBMUJFWSA-N 0 0 325.376 1.117 10 30 EDEERN C=CCOc1ccc(/C=C\C(=O)N2CC(NC(C)=O)C2)cc1OC ZINC000491992091 255157952 /nfs/dbraw/zinc/15/79/52/255157952.db2.gz PYVRRPWPWLENHG-VURMDHGXSA-N 0 0 330.384 1.620 10 30 EDEERN N#CCCCS(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000128712374 303150849 /nfs/dbraw/zinc/15/08/49/303150849.db2.gz KFRYBVKKSHENKQ-ZDUSSCGKSA-N 0 0 337.449 1.775 10 30 EDEERN C#CCNC(=O)c1ccc(N2CCC[C@H](NC(=O)C(C)C)C2)nc1 ZINC000080985616 441218272 /nfs/dbraw/zinc/21/82/72/441218272.db2.gz KDYKSJWZLRQCNM-HNNXBMFYSA-N 0 0 328.416 1.186 10 30 EDEERN Cc1oc(NC(=O)CN2CC[C@@H](c3cnn(C)c3)C2)c(C#N)c1C ZINC000116312401 441810172 /nfs/dbraw/zinc/81/01/72/441810172.db2.gz UZMUKNYVVNITBE-CYBMUJFWSA-N 0 0 327.388 1.930 10 30 EDEERN CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000149467729 441925116 /nfs/dbraw/zinc/92/51/16/441925116.db2.gz PYIDGJJWBIBVIA-DZVNLGKHSA-N 0 0 348.480 1.724 10 30 EDEERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)cc1C#N ZINC000126125259 442081417 /nfs/dbraw/zinc/08/14/17/442081417.db2.gz HLMKFUGZGUXCKH-GFCCVEGCSA-N 0 0 349.391 1.665 10 30 EDEERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(C#N)c1 ZINC000152458971 442215644 /nfs/dbraw/zinc/21/56/44/442215644.db2.gz FFOPEJYPVWEJJR-CYBMUJFWSA-N 0 0 326.360 1.953 10 30 EDEERN N#Cc1cc(NC(=O)C(=O)N[C@H]2COc3ccccc32)ccc1F ZINC000170842062 442273186 /nfs/dbraw/zinc/27/31/86/442273186.db2.gz UECDNORUMNBSGY-AWEZNQCLSA-N 0 0 325.299 1.886 10 30 EDEERN N#Cc1cccc(S(=O)(=O)CCN2CCC(c3cc[nH]n3)CC2)c1 ZINC000128563681 442274825 /nfs/dbraw/zinc/27/48/25/442274825.db2.gz WOTVBEPJDIWUSI-UHFFFAOYSA-N 0 0 344.440 1.935 10 30 EDEERN N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H](n3cncn3)C2)c1 ZINC000128644009 442279695 /nfs/dbraw/zinc/27/96/95/442279695.db2.gz UFPHFDYFAQYFNY-HNNXBMFYSA-N 0 0 345.428 1.261 10 30 EDEERN CCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1cccc(C#N)c1)CC2 ZINC000176790018 442257806 /nfs/dbraw/zinc/25/78/06/442257806.db2.gz XNMKPAMVZGOVNZ-RHSMWYFYSA-N 0 0 339.399 1.531 10 30 EDEERN Cc1noc([C@H]2COCCN2C(=O)c2ccccc2OCC#N)n1 ZINC000187228031 442661814 /nfs/dbraw/zinc/66/18/14/442661814.db2.gz ZLKSGRAKTORARK-CYBMUJFWSA-N 0 0 328.328 1.494 10 30 EDEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180968438 442672677 /nfs/dbraw/zinc/67/26/77/442672677.db2.gz HSWAWIVIFOCFQD-LBPRGKRZSA-N 0 0 349.391 1.390 10 30 EDEERN C[C@H](C#N)CNC(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000182825867 442830812 /nfs/dbraw/zinc/83/08/12/442830812.db2.gz GNUROCLDEZBZIX-CQSZACIVSA-N 0 0 332.452 1.625 10 30 EDEERN COC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000171527569 318434180 /nfs/dbraw/zinc/43/41/80/318434180.db2.gz GEGXYZWCIMKBJC-CQSZACIVSA-N 0 0 339.355 1.104 10 30 EDEERN NC(=S)NN=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000254439378 443075529 /nfs/dbraw/zinc/07/55/29/443075529.db2.gz SGMIYSZTPUEVIP-UHFFFAOYSA-N 0 0 335.410 1.621 10 30 EDEERN Cc1noc([C@@H]2COCCN2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000185073182 443129629 /nfs/dbraw/zinc/12/96/29/443129629.db2.gz CWKACIGJEGRNBV-HOCLYGCPSA-N 0 0 344.371 1.063 10 30 EDEERN C=CCn1ncc(NC[C@H](C)[S@@](C)=O)c(Br)c1=O ZINC000158684772 527390130 /nfs/dbraw/zinc/39/01/30/527390130.db2.gz LVOFMBOCBVMJMQ-ASCAZGACSA-N 0 0 334.239 1.371 10 30 EDEERN C=CCN(CC=C)C(=O)CN1CCN(Cc2cnc(C)s2)CC1 ZINC000105813651 527609661 /nfs/dbraw/zinc/60/96/61/527609661.db2.gz QTFIPVPKTGEGEF-UHFFFAOYSA-N 0 0 334.489 1.770 10 30 EDEERN CC(C)c1nnc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)n1C ZINC000155717595 528426908 /nfs/dbraw/zinc/42/69/08/528426908.db2.gz PSXYYQKBUVQBSE-ZDUSSCGKSA-N 0 0 340.435 1.311 10 30 EDEERN CCc1nn(C)cc1NC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000329139188 535830706 /nfs/dbraw/zinc/83/07/06/535830706.db2.gz FCHIRTPMLRIVGM-UHFFFAOYSA-N 0 0 346.435 1.596 10 30 EDEERN Cn1cnnc1C[C@@]1(O)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000888076832 590933130 /nfs/dbraw/zinc/93/31/30/590933130.db2.gz KZGXEEDFTNIXNS-KRWDZBQOSA-N 0 0 329.379 1.395 10 30 EDEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCS(=O)(=O)C(F)(F)F ZINC000898681294 591473855 /nfs/dbraw/zinc/47/38/55/591473855.db2.gz XRGRUZLLWSVGRQ-UWVGGRQHSA-N 0 0 329.340 1.409 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)CSc1ccc(C#N)cc1)CC2 ZINC000114870811 138310797 /nfs/dbraw/zinc/31/07/97/138310797.db2.gz XXYSBORMEDWINQ-CYBMUJFWSA-N 0 0 341.440 1.935 10 30 EDEERN N#Cc1ccccc1S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000132687633 138381178 /nfs/dbraw/zinc/38/11/78/138381178.db2.gz KEVCSIVMNUPGAM-HNNXBMFYSA-N 0 0 329.381 1.795 10 30 EDEERN C=CCC[C@@H](C[NH+]1CCC(C(=O)[O-])CC1)Oc1nccc(OC)n1 ZINC000072463104 216245973 /nfs/dbraw/zinc/24/59/73/216245973.db2.gz CXVVHBPNYKURPX-AWEZNQCLSA-N 0 0 335.404 1.995 10 30 EDEERN CC(/C=C/C1=CC2=CC(=O)[C@](C)(O)[C@@H](O)C2=CO1)=C\[C@@H](C)CCO ZINC000229758149 242195564 /nfs/dbraw/zinc/19/55/64/242195564.db2.gz AROQRNPRGIWLRE-YJMGSWLMSA-N 0 0 332.396 1.926 10 30 EDEERN N#Cc1cccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111815265 220195942 /nfs/dbraw/zinc/19/59/42/220195942.db2.gz CUSLKMOHDHRWJP-MRXNPFEDSA-N 0 0 325.372 1.365 10 30 EDEERN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000193090093 265752718 /nfs/dbraw/zinc/75/27/18/265752718.db2.gz VWATYLFIFDJUPI-OLZOCXBDSA-N 0 0 332.404 1.473 10 30 EDEERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccccc1C#N)CC2 ZINC000157808460 267485071 /nfs/dbraw/zinc/48/50/71/267485071.db2.gz FJZUPNOVTBZWPY-ZDUSSCGKSA-N 0 0 345.428 1.566 10 30 EDEERN N#Cc1cccc(NC(=O)CCN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105889838 441309322 /nfs/dbraw/zinc/30/93/22/441309322.db2.gz ZAOQQDJOOYBEFO-QGZVFWFLSA-N 0 0 339.399 1.484 10 30 EDEERN Cn1cc([C@@H]2CCN([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000116394690 441816587 /nfs/dbraw/zinc/81/65/87/441816587.db2.gz FXQUAUALWMKFOD-RHSMWYFYSA-N 0 0 349.394 1.413 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)cc1Cl ZINC000176748258 442253260 /nfs/dbraw/zinc/25/32/60/442253260.db2.gz BSUDPSLXHWHJQC-LBPRGKRZSA-N 0 0 337.792 1.617 10 30 EDEERN COCCN1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C ZINC000172335897 442445797 /nfs/dbraw/zinc/44/57/97/442445797.db2.gz HHYLZUFENVZQFA-CYBMUJFWSA-N 0 0 334.395 1.559 10 30 EDEERN C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@@H]1N1CCOCC1 ZINC000187598482 442682378 /nfs/dbraw/zinc/68/23/78/442682378.db2.gz DGZASYMCSDFBMC-QAPCUYQASA-N 0 0 339.439 1.769 10 30 EDEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000189249766 442904763 /nfs/dbraw/zinc/90/47/63/442904763.db2.gz MGIKHVXSCXQXIN-XJKSGUPXSA-N 0 0 329.400 1.699 10 30 EDEERN N#Cc1nn(-c2ccccc2[N+](=O)[O-])nc1N1CCCC[C@H]1CCO ZINC000256047030 443115515 /nfs/dbraw/zinc/11/55/15/443115515.db2.gz JTOLNQDJWHNDML-LBPRGKRZSA-N 0 0 342.359 1.788 10 30 EDEERN Cc1nnc2n1CCN(C1CN(C(=O)NCc3ccccc3)C1)C2 ZINC000328648808 444414118 /nfs/dbraw/zinc/41/41/18/444414118.db2.gz USXGTVKZHGITKU-UHFFFAOYSA-N 0 0 326.404 1.201 10 30 EDEERN COCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@H](C)OC ZINC000328602150 444390319 /nfs/dbraw/zinc/39/03/19/444390319.db2.gz AMGZSCXOOAZABS-YDHLFZDLSA-N 0 0 325.409 1.989 10 30 EDEERN Cn1cc([C@H]2[C@H](CNc3ccc(Cl)c(C#N)n3)CC(=O)N2C)cn1 ZINC000328608388 444391880 /nfs/dbraw/zinc/39/18/80/444391880.db2.gz AFYRAGSMNDSLGD-MGPLVRAMSA-N 0 0 344.806 1.972 10 30 EDEERN CNC(=O)c1ccn([C@H]2CCCN(c3cc(C)nc(C)c3C#N)C2)n1 ZINC000328617380 444396043 /nfs/dbraw/zinc/39/60/43/444396043.db2.gz CQDZQQMTBZVWDA-AWEZNQCLSA-N 0 0 338.415 1.968 10 30 EDEERN O=S(=O)(NC[C@@H]1CCCS1)c1ccccc1C#CCCO ZINC000155940871 518202887 /nfs/dbraw/zinc/20/28/87/518202887.db2.gz PYFJNMYGBDGTPH-AWEZNQCLSA-N 0 0 325.455 1.594 10 30 EDEERN C=C(Br)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000168367485 526428690 /nfs/dbraw/zinc/42/86/90/526428690.db2.gz AKNRCXIWPBGYMH-UHFFFAOYSA-N 0 0 327.587 1.215 10 30 EDEERN C=CCNc1ncc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)s1 ZINC000128857574 526679386 /nfs/dbraw/zinc/67/93/86/526679386.db2.gz URKYKLYIEIOWFM-GFCCVEGCSA-N 0 0 333.417 1.479 10 30 EDEERN C=CCc1ccc(OCC(=O)N[C@@H]2CCc3ncnn3C2)c(OC)c1 ZINC000112652282 527252307 /nfs/dbraw/zinc/25/23/07/527252307.db2.gz XKBSIXNOMWWDDK-CQSZACIVSA-N 0 0 342.399 1.525 10 30 EDEERN CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160789649 528423487 /nfs/dbraw/zinc/42/34/87/528423487.db2.gz BSLJIQKBBKUDJA-SECBINFHSA-N 0 0 329.809 1.405 10 30 EDEERN CC[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CCN1C[C@@H](C)O ZINC000174609812 529270088 /nfs/dbraw/zinc/27/00/88/529270088.db2.gz DJPWFJJHTGGAGZ-ZBFHGGJFSA-N 0 0 347.484 1.954 10 30 EDEERN C=CC1CCN(C(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000125897785 591036894 /nfs/dbraw/zinc/03/68/94/591036894.db2.gz XTHJIOKUYUNZLA-GFCCVEGCSA-N 0 0 347.440 1.538 10 30 EDEERN CO[C@@H]1CN(c2cc(C(F)(F)F)cnc2C#N)C[C@H]1c1c[nH]nn1 ZINC000818158312 593676143 /nfs/dbraw/zinc/67/61/43/593676143.db2.gz FDKYGVCJXMIHCZ-TVQRCGJNSA-N 0 0 338.293 1.709 10 30 EDEERN C=C(Br)CNC(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000154357623 711615855 /nfs/dbraw/zinc/61/58/55/711615855.db2.gz AOJRXXOACXMMMK-VIFPVBQESA-N 0 0 328.214 1.883 10 30 EDEERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc(C#N)cn3C)C2)n1 ZINC000176093049 231571645 /nfs/dbraw/zinc/57/16/45/231571645.db2.gz FUPBDEWQDGPWJB-CQSZACIVSA-N 0 0 326.404 1.658 10 30 EDEERN CCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000245200621 139071099 /nfs/dbraw/zinc/07/10/99/139071099.db2.gz LNFNADPZIZLMIE-DLBZAZTESA-N 0 0 345.443 1.679 10 30 EDEERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCO2)c1 ZINC000112093917 220241600 /nfs/dbraw/zinc/24/16/00/220241600.db2.gz PLOHIXIGQHKWJB-HNNXBMFYSA-N 0 0 346.412 1.153 10 30 EDEERN C/C(=N\NC(=S)NNC(=S)Nc1cccnc1)c1ccccn1 ZINC000013650687 211599311 /nfs/dbraw/zinc/59/93/11/211599311.db2.gz LUDRGCHHXPBJSJ-VCHYOVAHSA-N 0 0 345.457 1.566 10 30 EDEERN CCCn1c2[nH]c([C@H]3C[C@H]4C[C@@H]3[C@H]3O[C@H]34)nc2c(=O)n(CCC)c1=O ZINC000005114733 210390833 /nfs/dbraw/zinc/39/08/33/210390833.db2.gz OQCJPFYWFGUHIN-VSEIDBEKSA-N 0 0 344.415 1.597 10 30 investigational EDEERN Cn1nccc1C1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000119406922 221312559 /nfs/dbraw/zinc/31/25/59/221312559.db2.gz HBPHVWRGJSWNGP-UHFFFAOYSA-N 0 0 337.383 1.636 10 30 EDEERN N#Cc1cccc(Cn2ncc(I)cc2=O)c1 ZINC000158560235 225041787 /nfs/dbraw/zinc/04/17/87/225041787.db2.gz KGMYTHURHVBHLF-UHFFFAOYSA-N 0 0 337.120 1.768 10 30 EDEERN Cc1cnn(C[C@H]2CN(Cc3cnc4ccc(C#N)cn34)CCO2)c1 ZINC000122401188 222079478 /nfs/dbraw/zinc/07/94/78/222079478.db2.gz HKYQTJVERCWWKC-QGZVFWFLSA-N 0 0 336.399 1.612 10 30 EDEERN CC[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CCN1C[C@@H](C)O ZINC000122677523 222136266 /nfs/dbraw/zinc/13/62/66/222136266.db2.gz YITWWCLXTVPLES-HIFRSBDPSA-N 0 0 337.445 1.024 10 30 EDEERN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000105888267 441308134 /nfs/dbraw/zinc/30/81/34/441308134.db2.gz RWOSFFRFDCUYGW-PBHICJAKSA-N 0 0 339.399 1.483 10 30 EDEERN CN1C(=O)CC[C@H](C(=O)N2CCN(CC#N)CC2)[C@@H]1c1ccccc1 ZINC000174343373 441915536 /nfs/dbraw/zinc/91/55/36/441915536.db2.gz WVDAIQYTLRFDON-WMZOPIPTSA-N 0 0 340.427 1.264 10 30 EDEERN Cc1cc(C)n(C[C@@H]2CN(C[C@H](O)c3ccc(C#N)cc3)CCO2)n1 ZINC000127474919 442205369 /nfs/dbraw/zinc/20/53/69/442205369.db2.gz ZTRROJNILHLIIN-OALUTQOASA-N 0 0 340.427 1.806 10 30 EDEERN C[C@@H](C(=O)OC(C)(C)C)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000176428483 442220685 /nfs/dbraw/zinc/22/06/85/442220685.db2.gz TWOOXVVJGJRHCY-ZFWWWQNUSA-N 0 0 334.416 1.960 10 30 EDEERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000181719026 442712443 /nfs/dbraw/zinc/71/24/43/442712443.db2.gz VPEVAEQLVWSMDS-OAHLLOKOSA-N 0 0 334.395 1.295 10 30 EDEERN C[C@@H]1C(=O)NCCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000189280128 442911870 /nfs/dbraw/zinc/91/18/70/442911870.db2.gz NKBANFYCAFMCMB-CQSZACIVSA-N 0 0 338.411 1.948 10 30 EDEERN COC(=O)C[C@@H]1O[C@H](C)C2C(=O)c3c(O)cccc3C(=O)[C@]23O[C@H]13 ZINC000252504976 443036936 /nfs/dbraw/zinc/03/69/36/443036936.db2.gz HAMGMFWBTYYRFD-SCZJSMTBSA-N 0 0 332.308 1.346 10 30 EDEERN C=CCN(CCOC)C(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000190033426 443050206 /nfs/dbraw/zinc/05/02/06/443050206.db2.gz LHHMWVOMTHBQCZ-CABCVRRESA-N 0 0 326.437 1.805 10 30 EDEERN C=CCC[C@H](NC(=O)N1CC(NC(=O)COC)C1)c1ccccc1 ZINC000185694175 443239542 /nfs/dbraw/zinc/23/95/42/443239542.db2.gz NKCRODLMNCIQCF-INIZCTEOSA-N 0 0 331.416 1.850 10 30 EDEERN N#C[C@@H]1COCCN1C[C@H](O)COc1cccc(Br)c1 ZINC000246140290 443272250 /nfs/dbraw/zinc/27/22/50/443272250.db2.gz AZYHSEDVZSFVKE-OLZOCXBDSA-N 0 0 341.205 1.413 10 30 EDEERN Cc1cncc(NC(=O)N2CC[C@H](N(C)Cc3ncccn3)C2)c1 ZINC000328656905 444416891 /nfs/dbraw/zinc/41/68/91/444416891.db2.gz ZUAGMWMGQOFWMF-HNNXBMFYSA-N 0 0 326.404 1.932 10 30 EDEERN Cc1nnc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c(C#N)c1C ZINC000328615210 444394481 /nfs/dbraw/zinc/39/44/81/444394481.db2.gz YBTHOXDIIRFMKV-BLLLJJGKSA-N 0 0 339.403 1.330 10 30 EDEERN COc1cc(C#N)ccc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328624817 444399331 /nfs/dbraw/zinc/39/93/31/444399331.db2.gz CPPJFWMIAZKIBF-GFCCVEGCSA-N 0 0 327.344 1.386 10 30 EDEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)NCc2noc(C)n2)cn1 ZINC000328628900 444401667 /nfs/dbraw/zinc/40/16/67/444401667.db2.gz ODQHHSXJGXDDKM-GXTWGEPZSA-N 0 0 334.380 1.518 10 30 EDEERN N#Cc1ccccc1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000583616357 448442547 /nfs/dbraw/zinc/44/25/47/448442547.db2.gz IMKWHXFATJLMOE-RRFJBIMHSA-N 0 0 336.413 1.109 10 30 EDEERN N#Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccs2)nc1 ZINC000583621786 448453230 /nfs/dbraw/zinc/45/32/30/448453230.db2.gz QATRYCVXHSRQGR-STQMWFEESA-N 0 0 345.403 1.752 10 30 EDEERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cccc(Br)c1C#N ZINC000596432882 449500574 /nfs/dbraw/zinc/50/05/74/449500574.db2.gz GGVHJZKKCRKPMB-NWDGAFQWSA-N 0 0 345.218 1.545 10 30 EDEERN C=C(C)COCCNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000177586854 526644451 /nfs/dbraw/zinc/64/44/51/526644451.db2.gz FWQZEADIBNLGHV-CQSZACIVSA-N 0 0 338.429 1.797 10 30 EDEERN CCN(C[C@H](C)C#N)C(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105807221 528690799 /nfs/dbraw/zinc/69/07/99/528690799.db2.gz AYPXCISIUULPAQ-OAHLLOKOSA-N 0 0 344.463 1.385 10 30 EDEERN C[C@H]1OC(=O)[C@@H](/N=C/c2ccc(CO)n2[C@@H]2C(=O)O[C@H](C)[C@H]2C)[C@@H]1C ZINC000004098581 560195877 /nfs/dbraw/zinc/19/58/77/560195877.db2.gz RYQKWJPWKLPCHJ-NNWVDDQKSA-N 0 0 348.399 1.472 10 30 in-vitro EDEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000173729118 231016645 /nfs/dbraw/zinc/01/66/45/231016645.db2.gz GIKYCUIKPLNGDP-OAHLLOKOSA-N 0 0 330.413 1.917 10 30 EDEERN C=CCNC(SCc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000040570311 213352621 /nfs/dbraw/zinc/35/26/21/213352621.db2.gz PWPZUHKRTKZJOT-UHFFFAOYSA-N 0 0 345.424 1.957 10 30 EDEERN C=CCNC(=O)[C@H]1Cc2ccccc2N2CCN(c3ncccn3)C[C@H]12 ZINC000035870528 213050833 /nfs/dbraw/zinc/05/08/33/213050833.db2.gz BKPTVQGIHYNWLC-FUHWJXTLSA-N 0 0 349.438 1.646 10 30 EDEERN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CCC#N)Cc1ccccn1 ZINC000103438700 237047333 /nfs/dbraw/zinc/04/73/33/237047333.db2.gz VOXBDQQHRMMQDJ-UHFFFAOYSA-N 0 0 342.359 1.827 10 30 EDEERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc(CC#N)cc3)CCO2)[nH]1 ZINC000176982892 237366214 /nfs/dbraw/zinc/36/62/14/237366214.db2.gz XMLHALYQFSTOHH-CQSZACIVSA-N 0 0 326.360 1.785 10 30 EDEERN C=CCC[C@H](CN(C)CC(=O)N(C)C)Oc1cncc(N(C)C)n1 ZINC000072409709 216201222 /nfs/dbraw/zinc/20/12/22/216201222.db2.gz OLYFTILSKZXSQP-CQSZACIVSA-N 0 0 335.452 1.276 10 30 EDEERN CCOC(=O)[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(Cl)cc1 ZINC000194761762 139000146 /nfs/dbraw/zinc/00/01/46/139000146.db2.gz NRJNGAYSTAZAOO-CQSZACIVSA-N 0 0 347.762 1.224 10 30 EDEERN Cc1noc([C@H]2COCCN2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000248446953 139164446 /nfs/dbraw/zinc/16/44/46/139164446.db2.gz CWKACIGJEGRNBV-GDBMZVCRSA-N 0 0 344.371 1.063 10 30 EDEERN C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1[NH+](C)C ZINC000252792272 139205501 /nfs/dbraw/zinc/20/55/01/139205501.db2.gz VFOQMPRTNGHOMA-ZWNOBZJWSA-N 0 0 327.837 1.782 10 30 EDEERN CSC(C)(C)CNS(=O)(=O)c1cc(C#CCO)ccc1C ZINC000157191623 533471747 /nfs/dbraw/zinc/47/17/47/533471747.db2.gz AHMZASGCYJVKRS-UHFFFAOYSA-N 0 0 327.471 1.759 10 30 EDEERN COC(=O)CN(CC#N)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000177620204 533489602 /nfs/dbraw/zinc/48/96/02/533489602.db2.gz HRLHNRBRIFOUHH-CQSZACIVSA-N 0 0 326.780 1.216 10 30 EDEERN N#Cc1ccccc1S(=O)(=O)N1CCO[C@H](c2nccs2)C1 ZINC000157427598 224825681 /nfs/dbraw/zinc/82/56/81/224825681.db2.gz LHZVUYXKZNHGSM-LBPRGKRZSA-N 0 0 335.410 1.777 10 30 EDEERN N#Cc1ccc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000105888966 441307882 /nfs/dbraw/zinc/30/78/82/441307882.db2.gz YGFYNSLKBMEQFQ-INIZCTEOSA-N 0 0 325.372 1.094 10 30 EDEERN Cn1cc([C@H]2[C@@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2C)cn1 ZINC000115203047 441717618 /nfs/dbraw/zinc/71/76/18/441717618.db2.gz SUELIMGEBHDOKC-RDJZCZTQSA-N 0 0 337.383 1.840 10 30 EDEERN C=CC1CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000115216397 441718281 /nfs/dbraw/zinc/71/82/81/441718281.db2.gz MTSRNYUCFHOKEB-WBVHZDCISA-N 0 0 330.432 1.754 10 30 EDEERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)cn1 ZINC000116587854 441833333 /nfs/dbraw/zinc/83/33/33/441833333.db2.gz KYVAGJPLNKEDKC-NSHDSACASA-N 0 0 341.346 1.385 10 30 EDEERN COc1cc2c(=O)n(/N=C/c3ccc[nH]3)c(C)nc2c(OC)c1OC ZINC000095932548 441953247 /nfs/dbraw/zinc/95/32/47/441953247.db2.gz RZMOTMZEWQDTJJ-DJKKODMXSA-N 0 0 342.355 1.941 10 30 EDEERN COCCN1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H]1C ZINC000152475910 442217853 /nfs/dbraw/zinc/21/78/53/442217853.db2.gz XXXKHPMLXWAQTE-OAHLLOKOSA-N 0 0 345.443 1.895 10 30 EDEERN N#Cc1ccc(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000130822844 442357579 /nfs/dbraw/zinc/35/75/79/442357579.db2.gz GPWXRIYNILROHZ-UHFFFAOYSA-N 0 0 348.370 1.350 10 30 EDEERN N#Cc1ccc(NC[C@@H](O)CN2CCOCC2)c(Br)c1 ZINC000134550992 442494687 /nfs/dbraw/zinc/49/46/87/442494687.db2.gz WGFAJGJFODRECK-GFCCVEGCSA-N 0 0 340.221 1.426 10 30 EDEERN C=CCOc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1OC ZINC000172750998 442534087 /nfs/dbraw/zinc/53/40/87/442534087.db2.gz LEVRRPKSQYSGTF-MRXNPFEDSA-N 0 0 346.427 1.807 10 30 EDEERN C=CCNC(=O)NC(=O)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134841742 442527653 /nfs/dbraw/zinc/52/76/53/442527653.db2.gz MLMAYTTZGAHYDD-HNNXBMFYSA-N 0 0 347.390 1.875 10 30 EDEERN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCc2ncnn2C1 ZINC000157538736 442591741 /nfs/dbraw/zinc/59/17/41/442591741.db2.gz CGFFPJXEPRXRKK-NSHDSACASA-N 0 0 337.792 1.096 10 30 EDEERN N#Cc1cc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)ccn1 ZINC000193173469 442719952 /nfs/dbraw/zinc/71/99/52/442719952.db2.gz VFPCEFQEUOYENV-SFHVURJKSA-N 0 0 336.395 1.445 10 30 EDEERN COc1ccc(NC(=O)CON=C2CCCc3nonc32)c(OC)c1 ZINC000254839223 443077179 /nfs/dbraw/zinc/07/71/79/443077179.db2.gz USILKFROFDWINJ-UHFFFAOYSA-N 0 0 346.343 1.783 10 30 EDEERN Cc1cccc(-n2nc(C#N)c(N(C)[C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000256047503 443115435 /nfs/dbraw/zinc/11/54/35/443115435.db2.gz MUSAWPVGQZEPMS-CYBMUJFWSA-N 0 0 331.401 1.071 10 30 EDEERN Cc1nn(C)c(C)c1[C@H]1[C@H](CNc2cnc(C#N)cn2)CC(=O)N1C ZINC000328608379 444391683 /nfs/dbraw/zinc/39/16/83/444391683.db2.gz AFEHSZYTLWCJQW-YVEFUNNKSA-N 0 0 339.403 1.330 10 30 EDEERN Cc1nnc([C@@H]2CN(C(=O)[C@@H](C)Oc3cccc(C#N)c3)CCO2)o1 ZINC000328610352 444392589 /nfs/dbraw/zinc/39/25/89/444392589.db2.gz HJBAGXDCDQNQQQ-ABAIWWIYSA-N 0 0 342.355 1.617 10 30 EDEERN O=C(CCn1cncn1)NC[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000328626614 444401007 /nfs/dbraw/zinc/40/10/07/444401007.db2.gz FGJHYPYKCXSMEX-RYUDHWBXSA-N 0 0 338.412 1.694 10 30 EDEERN C=C(C)CN(CC)C(=O)CN1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000105865165 526523549 /nfs/dbraw/zinc/52/35/49/526523549.db2.gz XQGILQSUSKHANV-OAHLLOKOSA-N 0 0 349.479 1.735 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000173799105 527111596 /nfs/dbraw/zinc/11/15/96/527111596.db2.gz KTOZFMXDOISRRM-CQSZACIVSA-N 0 0 333.363 1.922 10 30 EDEERN C#Cc1cccc(N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)CCC)c1 ZINC000103032186 527439578 /nfs/dbraw/zinc/43/95/78/527439578.db2.gz LXKYSTFKRLDENT-INIZCTEOSA-N 0 0 334.441 1.835 10 30 EDEERN CCOCCN1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000247404203 535607512 /nfs/dbraw/zinc/60/75/12/535607512.db2.gz YVBNCWSQUQQLAI-HZPDHXFCSA-N 0 0 344.459 1.928 10 30 EDEERN N#Cc1cc(N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)nc(C2CC2)n1 ZINC000888095094 591025455 /nfs/dbraw/zinc/02/54/55/591025455.db2.gz IKLLLOWRYVEGPP-XEZPLFJOSA-N 0 0 327.388 1.464 10 30 EDEERN N#Cc1ncccc1N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818146166 593674618 /nfs/dbraw/zinc/67/46/18/593674618.db2.gz PFQGFZGROPCHSL-KRWDZBQOSA-N 0 0 325.372 1.788 10 30 EDEERN CN1CCO[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000171707010 529783409 /nfs/dbraw/zinc/78/34/09/529783409.db2.gz QEGMPUWCUCPXMI-KRWDZBQOSA-N 0 0 328.416 1.563 10 30 EDEERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(C#N)cc1 ZINC000177906701 232028328 /nfs/dbraw/zinc/02/83/28/232028328.db2.gz ZPWPWCLRUZSKJW-CQSZACIVSA-N 0 0 340.387 1.630 10 30 EDEERN N#Cc1ccccc1OCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127361280 222829859 /nfs/dbraw/zinc/82/98/59/222829859.db2.gz JJKDTZVELWYGMC-AWEZNQCLSA-N 0 0 325.372 1.467 10 30 EDEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000178503091 138742346 /nfs/dbraw/zinc/74/23/46/138742346.db2.gz JNWLLEHXKMZGGU-AWEZNQCLSA-N 0 0 338.371 1.260 10 30 EDEERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N(CCC#N)CCC#N ZINC000193970885 284189087 /nfs/dbraw/zinc/18/90/87/284189087.db2.gz CZFIFNMEMXZXNM-PMPSAXMXSA-N 0 0 346.431 1.448 10 30 EDEERN Cc1cc(S(=O)(=O)N2CCS[C@@H](C)C2)ccc1C#CCO ZINC000137319119 223690895 /nfs/dbraw/zinc/69/08/95/223690895.db2.gz XOANHOBVQCHVAM-ZDUSSCGKSA-N 0 0 325.455 1.465 10 30 EDEERN O=C(NCCN1C(=O)CCCC1=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000329685630 249848441 /nfs/dbraw/zinc/84/84/41/249848441.db2.gz BAGVKSCLXDWEIU-AWEZNQCLSA-N 0 0 349.431 1.663 10 30 EDEERN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)N1CC(O)(C2CC2)C1 ZINC000329305405 249833919 /nfs/dbraw/zinc/83/39/19/249833919.db2.gz YHQCAGLYRWDPIE-GFCCVEGCSA-N 0 0 337.370 1.914 10 30 EDEERN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000133497839 533164116 /nfs/dbraw/zinc/16/41/16/533164116.db2.gz BHVKKRPBSQRDJB-RYUDHWBXSA-N 0 0 326.360 1.705 10 30 EDEERN C=CCO[C@H]1CCN(C(=O)c2ccncc2F)[C@@H]1Cc1cnn(C)c1 ZINC000248084431 257665774 /nfs/dbraw/zinc/66/57/74/257665774.db2.gz BBVUGOSTAPFXAR-SJORKVTESA-N 0 0 344.390 1.983 10 30 EDEERN CSC(C)(C)CNS(=O)(=O)c1ccc(C#CCCO)cc1 ZINC000157190833 533471009 /nfs/dbraw/zinc/47/10/09/533471009.db2.gz ZQSBEPCGSKEHPX-UHFFFAOYSA-N 0 0 327.471 1.840 10 30 EDEERN N#Cc1c(NC(=O)CCn2ccc(=O)[nH]c2=O)sc2c1CCCC2 ZINC000170576380 226630935 /nfs/dbraw/zinc/63/09/35/226630935.db2.gz XGPHEHCDIWZJKV-UHFFFAOYSA-N 0 0 344.396 1.377 10 30 EDEERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)no1 ZINC000171430144 227076314 /nfs/dbraw/zinc/07/63/14/227076314.db2.gz DQODYFOPXRTZTE-CQSZACIVSA-N 0 0 346.412 1.893 10 30 EDEERN N#Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000123204029 222234039 /nfs/dbraw/zinc/23/40/39/222234039.db2.gz DQRHDQHHKZIFAO-KSSFIOAISA-N 0 0 327.384 1.650 10 30 EDEERN CC(=O)c1ccccc1N(C(C)=O)C1(C=O)CCN(C(C)=O)CC1 ZINC000034750520 441601121 /nfs/dbraw/zinc/60/11/21/441601121.db2.gz MNBRNVKOPGBEBV-UHFFFAOYSA-N 0 0 330.384 1.822 10 30 EDEERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C#N)cc2)ncn1 ZINC000173407951 441738012 /nfs/dbraw/zinc/73/80/12/441738012.db2.gz UJDKTMOTMWDRFQ-HNNXBMFYSA-N 0 0 336.399 1.789 10 30 EDEERN CC(C)(C)[S@@](=O)N[C@@](C)(COCc1ccccc1)/C(N)=N/O ZINC000146232099 441895116 /nfs/dbraw/zinc/89/51/16/441895116.db2.gz QBGLYTFKDGIHRS-NYHFZMIOSA-N 0 0 327.450 1.760 10 30 EDEERN N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000151302406 442040417 /nfs/dbraw/zinc/04/04/17/442040417.db2.gz DRFPVOXTHYTXIY-APWZRJJASA-N 0 0 341.411 1.442 10 30 EDEERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)cn1 ZINC000152024557 442155239 /nfs/dbraw/zinc/15/52/39/442155239.db2.gz SLABYMYMWNNJJQ-LLVKDONJSA-N 0 0 334.376 1.609 10 30 EDEERN C=C(C)CNC(=O)c1c(C)oc2[nH]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000157421524 442582153 /nfs/dbraw/zinc/58/21/53/442582153.db2.gz TUSUXXZXKZGHRA-UHFFFAOYSA-N 0 0 339.351 1.886 10 30 EDEERN CC[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CCN1C[C@H](C)O ZINC000246319262 442772370 /nfs/dbraw/zinc/77/23/70/442772370.db2.gz YITWWCLXTVPLES-ZFWWWQNUSA-N 0 0 337.445 1.024 10 30 EDEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189414900 442946107 /nfs/dbraw/zinc/94/61/07/442946107.db2.gz UACPREWGRRLABI-QGZVFWFLSA-N 0 0 341.411 1.699 10 30 EDEERN CCO[C@H]1C[C@@H](NC(=O)Nc2ccn(CCC#N)n2)C12CCOCC2 ZINC000184384231 443015702 /nfs/dbraw/zinc/01/57/02/443015702.db2.gz WPVIETYYLZLQKU-KGLIPLIRSA-N 0 0 347.419 1.892 10 30 EDEERN C=C(C)COCCNC(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000185863376 443271367 /nfs/dbraw/zinc/27/13/67/443271367.db2.gz JYIMRFUWYGEMKX-GJZGRUSLSA-N 0 0 326.437 1.853 10 30 EDEERN Cc1cn2nc(N[C@H]3CCN(C(=O)c4ccc(C#N)cn4)C3)ccc2n1 ZINC000552309187 447942972 /nfs/dbraw/zinc/94/29/72/447942972.db2.gz ZPXXCWTUHYAKDG-AWEZNQCLSA-N 0 0 347.382 1.631 10 30 EDEERN C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)C[C@@H]1N1CCOCC1 ZINC000173884421 534274122 /nfs/dbraw/zinc/27/41/22/534274122.db2.gz YZBAIUCDGIDGEV-FVQGUVRESA-N 0 0 325.412 1.751 10 30 EDEERN C=C(C)CN(CC)C(=O)CN1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000105864170 526523245 /nfs/dbraw/zinc/52/32/45/526523245.db2.gz DAINXMRQEAOGCK-CQSZACIVSA-N 0 0 335.452 1.481 10 30 EDEERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000154849775 526894505 /nfs/dbraw/zinc/89/45/05/526894505.db2.gz HIYNMARYOFYRMV-LBPRGKRZSA-N 0 0 348.790 1.277 10 30 EDEERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(N2CCCC2)c(C#N)c1 ZINC000888092924 591022591 /nfs/dbraw/zinc/02/25/91/591022591.db2.gz OKKSRFMQGIQRIL-WFASDCNBSA-N 0 0 326.400 1.555 10 30 EDEERN C=CCn1c(C2CC2)nn(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1=S ZINC000120226098 596347741 /nfs/dbraw/zinc/34/77/41/596347741.db2.gz JGWXQHDSZWTUFS-PWSUYJOCSA-N 0 0 337.449 1.010 10 30 EDEERN COc1ccc(Br)c(C(=O)NC[C@@H](C)/C(N)=N/O)c1 ZINC000054155161 214220521 /nfs/dbraw/zinc/22/05/21/214220521.db2.gz PIBKNIAARGISRG-SSDOTTSWSA-N 0 0 330.182 1.570 10 30 EDEERN CSC[C@H](C)CNS(=O)(=O)c1ccc(C#CCCO)cc1 ZINC000069462466 215432717 /nfs/dbraw/zinc/43/27/17/215432717.db2.gz PEDZRVRYVAUZQV-CYBMUJFWSA-N 0 0 327.471 1.698 10 30 EDEERN C=CCS(=O)(=O)[C@@H](C)C(=O)NCCc1nc2cc(F)ccc2[nH]1 ZINC000071555224 215786876 /nfs/dbraw/zinc/78/68/76/215786876.db2.gz WTTFVBYUPYRYPS-JTQLQIEISA-N 0 0 339.392 1.350 10 30 EDEERN C=CCS(=O)(=O)CC(=O)NCCNc1cccc2ccccc21 ZINC000071530494 215784667 /nfs/dbraw/zinc/78/46/67/215784667.db2.gz SRLHLFDBLPVXSA-UHFFFAOYSA-N 0 0 332.425 1.969 10 30 EDEERN CCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1cccc(C#N)c1)CC2 ZINC000176789983 138712538 /nfs/dbraw/zinc/71/25/38/138712538.db2.gz XNMKPAMVZGOVNZ-PBHICJAKSA-N 0 0 339.399 1.531 10 30 EDEERN Cc1ccccc1[C@H](C)NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000111789301 237116116 /nfs/dbraw/zinc/11/61/16/237116116.db2.gz RQVDNHOGVFANJV-CMTMBAJVSA-N 0 0 342.399 1.882 10 30 EDEERN N#Cc1cccc(CS(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000132689361 223354592 /nfs/dbraw/zinc/35/45/92/223354592.db2.gz ALZAQKXLYZUAKE-KRWDZBQOSA-N 0 0 343.408 1.936 10 30 EDEERN C[C@H](NC(=O)Cc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000194835964 139001116 /nfs/dbraw/zinc/00/11/16/139001116.db2.gz CSYRQOMBHAGBBP-LBPRGKRZSA-N 0 0 343.408 1.626 10 30 EDEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083564 220097912 /nfs/dbraw/zinc/09/79/12/220097912.db2.gz ZWXFQJJQLLAYOS-GDBMZVCRSA-N 0 0 340.383 1.450 10 30 EDEERN Cc1cnn(C[C@H]2CN(C(=O)CCc3ccc(C#N)cc3)CCO2)c1 ZINC000112060760 220236389 /nfs/dbraw/zinc/23/63/89/220236389.db2.gz XCTOBSAGPWIWTF-GOSISDBHSA-N 0 0 338.411 1.923 10 30 EDEERN CCOCCN1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1C ZINC000247066164 249314115 /nfs/dbraw/zinc/31/41/15/249314115.db2.gz GHIGNPVGLXDDFT-MRXNPFEDSA-N 0 0 336.480 1.372 10 30 EDEERN C=CCN1c2cc(NC(=O)CCC(=O)OC)ccc2O[C@H](C)C1=O ZINC000012121316 211300679 /nfs/dbraw/zinc/30/06/79/211300679.db2.gz HKUDGZCFDPVFET-LLVKDONJSA-N 0 0 332.356 1.878 10 30 EDEERN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)NCC#N)cc2)CC1=O ZINC000010461919 211174144 /nfs/dbraw/zinc/17/41/44/211174144.db2.gz GCUYFCDFECALJY-CQSZACIVSA-N 0 0 342.399 1.527 10 30 EDEERN CCO[C@H]1C[C@H](NC(=O)Nc2ccn(CCC#N)n2)C12CCOCC2 ZINC000184384194 286533150 /nfs/dbraw/zinc/53/31/50/286533150.db2.gz WPVIETYYLZLQKU-KBPBESRZSA-N 0 0 347.419 1.892 10 30 EDEERN C[C@@H](C#N)N1CCN(c2ncc(I)cn2)CC1 ZINC000159136055 225155586 /nfs/dbraw/zinc/15/55/86/225155586.db2.gz LNXXWIXOITZYIO-VIFPVBQESA-N 0 0 343.172 1.115 10 30 EDEERN N#Cc1ncn(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)n1 ZINC000178427236 268334116 /nfs/dbraw/zinc/33/41/16/268334116.db2.gz HBEXIPZNJBNXJM-UHFFFAOYSA-N 0 0 349.379 1.707 10 30 EDEERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1C#N ZINC000125863052 302675182 /nfs/dbraw/zinc/67/51/82/302675182.db2.gz JWWQKRRCFSVOQP-LBPRGKRZSA-N 0 0 335.364 1.411 10 30 EDEERN CCOc1ccccc1C=Nc1ccc(S(=O)(=O)N=C(N)N)cc1 ZINC000006357204 440989642 /nfs/dbraw/zinc/98/96/42/440989642.db2.gz SPFMIPCTKMQZHY-YBFXNURJSA-N 0 0 346.412 1.798 10 30 EDEERN COCCN1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000105831650 441284014 /nfs/dbraw/zinc/28/40/14/441284014.db2.gz QUZZQEKOLSTMKB-CABCVRRESA-N 0 0 330.432 1.538 10 30 EDEERN COC(=O)N1CC[C@@]23c4c5c(OC)ccc4C[C@@H]1[C@H]2C=CC(=O)[C@@H]3O5 ZINC000077287206 441747760 /nfs/dbraw/zinc/74/77/60/441747760.db2.gz JNRPLUNFEIIMII-JWUMNEAUSA-N 0 0 341.363 1.846 10 30 in-vitro EDEERN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1nnc2n1CCCC2 ZINC000121715601 441764384 /nfs/dbraw/zinc/76/43/84/441764384.db2.gz RBTZOEGKEKBHHX-NSHDSACASA-N 0 0 331.401 1.526 10 30 EDEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116370043 441815719 /nfs/dbraw/zinc/81/57/19/441815719.db2.gz KKDQPHVSIQQWLJ-CQSZACIVSA-N 0 0 330.413 1.778 10 30 EDEERN IC#CC#CC#CI ZINC000138257001 441786970 /nfs/dbraw/zinc/78/69/70/441786970.db2.gz HNLMIXLVKKVVMH-UHFFFAOYSA-N 0 0 325.874 1.782 10 30 EDEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121857784 441796588 /nfs/dbraw/zinc/79/65/88/441796588.db2.gz OFSTUDBXCIYEHX-DNVCBOLYSA-N 0 0 327.380 1.920 10 30 EDEERN CC(C)(C)[S@](=O)N[C@@](C)(COCc1ccccc1)/C(N)=N/O ZINC000146232261 441895563 /nfs/dbraw/zinc/89/55/63/441895563.db2.gz QBGLYTFKDGIHRS-OYHNWAKOSA-N 0 0 327.450 1.760 10 30 EDEERN C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1N1CCOCC1 ZINC000175764887 442118530 /nfs/dbraw/zinc/11/85/30/442118530.db2.gz IGPLIMDFJAXPIP-DYVFJYSZSA-N 0 0 346.406 1.559 10 30 EDEERN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189322719 442921173 /nfs/dbraw/zinc/92/11/73/442921173.db2.gz QOKMIFYBPRCLNJ-KWCYVHTRSA-N 0 0 335.408 1.148 10 30 EDEERN Cc1nc(C[C@@H]2CCCN(CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1 ZINC000195517858 443027002 /nfs/dbraw/zinc/02/70/02/443027002.db2.gz QHSLPXHOJZBDCE-GUYCJALGSA-N 0 0 331.420 1.441 10 30 EDEERN N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCCC[C@H]2CO)cn1 ZINC000184593148 443045717 /nfs/dbraw/zinc/04/57/17/443045717.db2.gz CDSYPMOMLYJVKY-ZFWWWQNUSA-N 0 0 340.387 1.812 10 30 EDEERN C#CCN(C)C(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000191095701 443240481 /nfs/dbraw/zinc/24/04/81/443240481.db2.gz SPEJVLYHJVTTJF-OAHLLOKOSA-N 0 0 327.409 1.775 10 30 EDEERN Cc1cc(C#N)nc(N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)n1 ZINC000285035896 443831081 /nfs/dbraw/zinc/83/10/81/443831081.db2.gz VWSHMEBBDNASOT-IUODEOHRSA-N 0 0 325.376 1.164 10 30 EDEERN Cn1ccc(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccs2)n1 ZINC000328636665 444406840 /nfs/dbraw/zinc/40/68/40/444406840.db2.gz OEMVNGHXDUXRMB-QWRGUYRKSA-N 0 0 338.412 1.815 10 30 EDEERN CCn1cc(O[C@@H]2CN(c3ncc(Cl)c(C)c3C#N)C[C@H]2O)cn1 ZINC000599112902 449743377 /nfs/dbraw/zinc/74/33/77/449743377.db2.gz GTNHDMCCXZDXCJ-HUUCEWRRSA-N 0 0 347.806 1.760 10 30 EDEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864422 526536333 /nfs/dbraw/zinc/53/63/33/526536333.db2.gz LPTTWFGPBWPXNU-LSDHHAIUSA-N 0 0 349.479 1.870 10 30 EDEERN C=CCN(CC=C)C(=O)[C@H](C)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190800989 527633394 /nfs/dbraw/zinc/63/33/94/527633394.db2.gz QXYUYLNVQLSQJY-DOTOQJQBSA-N 0 0 332.448 1.865 10 30 EDEERN N#Cc1cc(N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)nc(C2CC2)n1 ZINC000888095096 591025064 /nfs/dbraw/zinc/02/50/64/591025064.db2.gz IKLLLOWRYVEGPP-ZENOOKHLSA-N 0 0 327.388 1.464 10 30 EDEERN COC(=O)COc1c(N)cc(C#N)cc1I ZINC000043415098 213580851 /nfs/dbraw/zinc/58/08/51/213580851.db2.gz ZBEGJTJBKMALOQ-UHFFFAOYSA-N 0 0 332.097 1.297 10 30 EDEERN CCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)N1CCOCC1 ZINC000056623930 138151844 /nfs/dbraw/zinc/15/18/44/138151844.db2.gz FYVCJPATRCXJIY-ZDUSSCGKSA-N 0 0 332.404 1.799 10 30 EDEERN C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000078989253 217167366 /nfs/dbraw/zinc/16/73/66/217167366.db2.gz WSHYANJMSMQTMF-CJNGLKHVSA-N 0 0 332.400 1.857 10 30 EDEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000248247709 139159818 /nfs/dbraw/zinc/15/98/18/139159818.db2.gz KKSRZNSJKDCWRT-CZUORRHYSA-N 0 0 349.456 1.940 10 30 EDEERN CCOCCN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000117521654 221073169 /nfs/dbraw/zinc/07/31/69/221073169.db2.gz QZVQNVBCOWUMFS-AWEZNQCLSA-N 0 0 344.415 1.066 10 30 EDEERN COCc1nc2n(n1)CCC[C@H]2NC(=O)CCc1ccc(C#N)cc1 ZINC000154975176 224336426 /nfs/dbraw/zinc/33/64/26/224336426.db2.gz BRUGCTQHFYNUJZ-OAHLLOKOSA-N 0 0 339.399 1.880 10 30 EDEERN N#Cc1ncc(N2CC3(C2)C[C@H](Oc2cccnc2)CS3)cn1 ZINC000247709623 257680054 /nfs/dbraw/zinc/68/00/54/257680054.db2.gz IFYKXNKSZKQQFQ-AWEZNQCLSA-N 0 0 325.397 1.887 10 30 EDEERN N#Cc1ccc(OC2CN(C(=O)[C@@H]3OC[C@H]4COCC[C@H]43)C2)cc1 ZINC000329586194 140742401 /nfs/dbraw/zinc/74/24/01/140742401.db2.gz RMWPAZFPFRFBDA-KBRIMQKVSA-N 0 0 328.368 1.199 10 30 EDEERN C[C@@H]1C[C@H](S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCO1 ZINC000333440354 141317295 /nfs/dbraw/zinc/31/72/95/141317295.db2.gz PLIUZHUSFSJFES-MLGOLLRUSA-N 0 0 336.413 1.519 10 30 EDEERN CN(CC(=O)N1CC[C@@H]2CCC[C@H]21)S(=O)(=O)c1ccc(C#N)cc1 ZINC000330306653 161632616 /nfs/dbraw/zinc/63/26/16/161632616.db2.gz LKZSEXPFKLSVBU-GOEBONIOSA-N 0 0 347.440 1.580 10 30 EDEERN N#Cc1c(Br)cccc1N1CC[NH+](CCC(=O)[O-])CC1 ZINC000168370541 226214078 /nfs/dbraw/zinc/21/40/78/226214078.db2.gz SRGKAINTXIXENN-UHFFFAOYSA-N 0 0 338.205 1.917 10 30 EDEERN N#Cc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3c2cccnc2)c1 ZINC000096184109 274927594 /nfs/dbraw/zinc/92/75/94/274927594.db2.gz RVAGVNOFFCWQPU-SJORKVTESA-N 0 0 332.363 1.973 10 30 EDEERN CNS(=O)(=O)c1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1 ZINC000067690937 277290866 /nfs/dbraw/zinc/29/08/66/277290866.db2.gz WLQDNPLBXKDKGT-UHFFFAOYSA-N 0 0 342.424 1.989 10 30 EDEERN CC(C)(C)N1C[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)CC1=O ZINC000329287917 278352520 /nfs/dbraw/zinc/35/25/20/278352520.db2.gz PJBRAWBPBUQDSZ-MNOVXSKESA-N 0 0 333.379 1.308 10 30 EDEERN CCOC(=O)c1cc(=O)c2c(O)c(C[C@H]3CO3)cc(C[C@H]3CO3)c2o1 ZINC000000157828 440803792 /nfs/dbraw/zinc/80/37/92/440803792.db2.gz XWPORILQNZQHJZ-RYUDHWBXSA-N 0 0 346.335 1.558 10 30 EDEERN O=C1NC(=O)N(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1O ZINC000002383210 440861456 /nfs/dbraw/zinc/86/14/56/440861456.db2.gz PGORTQZSSAZLCK-FEZXJWFHSA-N 0 0 330.256 1.899 10 30 world EDEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000080337808 441162748 /nfs/dbraw/zinc/16/27/48/441162748.db2.gz MBDVJZOUHYZFDR-CRAIPNDOSA-N 0 0 345.443 1.799 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)CC2 ZINC000114873290 441694384 /nfs/dbraw/zinc/69/43/84/441694384.db2.gz BJCQDHMCTYNEES-AWEZNQCLSA-N 0 0 339.399 1.417 10 30 EDEERN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1nnc2n1CCCC2 ZINC000173625969 441806779 /nfs/dbraw/zinc/80/67/79/441806779.db2.gz ACXBXMJSKCETMD-KGLIPLIRSA-N 0 0 344.463 1.996 10 30 EDEERN Cc1oc(NC(=O)CN2CC[C@H](c3cnn(C)c3)C2)c(C#N)c1C ZINC000116312397 441811093 /nfs/dbraw/zinc/81/10/93/441811093.db2.gz UZMUKNYVVNITBE-ZDUSSCGKSA-N 0 0 327.388 1.930 10 30 EDEERN C=C(C)COCCNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000151470719 442067809 /nfs/dbraw/zinc/06/78/09/442067809.db2.gz DXTLKERCORZXPK-INIZCTEOSA-N 0 0 336.436 1.503 10 30 EDEERN C#CCOc1ccccc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000120496983 442083245 /nfs/dbraw/zinc/08/32/45/442083245.db2.gz AYZQIPLCPIVRLO-UHFFFAOYSA-N 0 0 348.410 1.459 10 30 EDEERN CO[C@@H]1[C@H](OC(=O)CN)CC[C@]2(CO2)[C@H]1[C@]1(C)O[C@H]1CC=C(C)C ZINC000096793173 442150883 /nfs/dbraw/zinc/15/08/83/442150883.db2.gz OHBNYNIEIMYTHU-OPICCCTDSA-N 0 0 339.432 1.565 10 30 EDEERN C[C@H](C(=O)OC(C)(C)C)N(C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000176428498 442220884 /nfs/dbraw/zinc/22/08/84/442220884.db2.gz TWOOXVVJGJRHCY-HIFRSBDPSA-N 0 0 334.416 1.960 10 30 EDEERN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000170821637 442268849 /nfs/dbraw/zinc/26/88/49/442268849.db2.gz CFVJXFMECAJPEX-CJNGLKHVSA-N 0 0 341.411 1.964 10 30 EDEERN CCC1CCC(NC(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000171903141 442388944 /nfs/dbraw/zinc/38/89/44/442388944.db2.gz OELVRWNWAZNGDK-NXVVXOECSA-N 0 0 334.420 1.781 10 30 EDEERN Cc1nnc([C@H]2CN(C(=O)Nc3cccc(C#N)c3C)CCO2)[nH]1 ZINC000178575217 442445386 /nfs/dbraw/zinc/44/53/86/442445386.db2.gz PSABMYGCBAZKKQ-CQSZACIVSA-N 0 0 326.360 1.899 10 30 EDEERN COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc(C#N)c1 ZINC000156123368 442449240 /nfs/dbraw/zinc/44/92/40/442449240.db2.gz FYPVCUISVNIVKH-CQSZACIVSA-N 0 0 340.387 1.630 10 30 EDEERN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)n1 ZINC000179766931 442500793 /nfs/dbraw/zinc/50/07/93/442500793.db2.gz JLSHGLPYJIFBQW-DGCLKSJQSA-N 0 0 347.419 1.116 10 30 EDEERN COc1ccc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cc1C#N ZINC000135055265 442550502 /nfs/dbraw/zinc/55/05/02/442550502.db2.gz AGJSWLPXNDMQAR-KRWDZBQOSA-N 0 0 326.400 1.973 10 30 EDEERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000173043001 442593019 /nfs/dbraw/zinc/59/30/19/442593019.db2.gz XMRZJZQZQOANSC-CYBMUJFWSA-N 0 0 341.820 1.501 10 30 EDEERN CCc1nnc(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)n1C ZINC000194643025 442929632 /nfs/dbraw/zinc/92/96/32/442929632.db2.gz BLYZIRHFFGXFMZ-KRWDZBQOSA-N 0 0 338.371 1.216 10 30 EDEERN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249535920 442983497 /nfs/dbraw/zinc/98/34/97/442983497.db2.gz CKVNBKHWKASRHT-ZOBUZTSGSA-N 0 0 335.473 1.810 10 30 EDEERN N=C(N)NS(=O)(=O)c1ccc(N=Cc2ccc3c(c2)OCO3)cc1 ZINC000254481884 443075429 /nfs/dbraw/zinc/07/54/29/443075429.db2.gz QZVSTHYDTJOIFA-UHFFFAOYSA-N 0 0 346.368 1.338 10 30 EDEERN N#Cc1cccc(C(=O)N2CCOCCNC(=O)[C@@H]3CCC[C@@H]32)c1 ZINC000257191340 443121548 /nfs/dbraw/zinc/12/15/48/443121548.db2.gz PPVHYDMBRFEXGU-CVEARBPZSA-N 0 0 327.384 1.316 10 30 EDEERN CC(=O)NC1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 ZINC000191480148 443300858 /nfs/dbraw/zinc/30/08/58/443300858.db2.gz XFKNEDUYBBSLNM-UHFFFAOYSA-N 0 0 328.372 1.014 10 30 EDEERN CCc1nnc2n1CCN(C1CN(c3cc(C)nc(C)c3C#N)C1)C2 ZINC000328643577 444411348 /nfs/dbraw/zinc/41/13/48/444411348.db2.gz RLCRFVHLONYISW-UHFFFAOYSA-N 0 0 337.431 1.428 10 30 EDEERN N#Cc1ccccc1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000583616358 448442595 /nfs/dbraw/zinc/44/25/95/448442595.db2.gz IMKWHXFATJLMOE-ZNMIVQPWSA-N 0 0 336.413 1.109 10 30 EDEERN N#Cc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)c(Cl)c1 ZINC000163639140 534784810 /nfs/dbraw/zinc/78/48/10/534784810.db2.gz KWJDWPIEAMLMKC-UHFFFAOYSA-N 0 0 340.564 1.872 10 30 EDEERN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCS[C@@H](C)C2)c1 ZINC000171576192 527055939 /nfs/dbraw/zinc/05/59/39/527055939.db2.gz XVBYWTGUXBBICX-LBPRGKRZSA-N 0 0 338.454 1.176 10 30 EDEERN C=CCn1c(C)cc(C(=O)CN2CC[C@H](N3CCOCC3)C2)c1C ZINC000173990334 527295597 /nfs/dbraw/zinc/29/55/97/527295597.db2.gz DXPHBAPXCMIUPA-KRWDZBQOSA-N 0 0 331.460 1.880 10 30 EDEERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000159363490 528335366 /nfs/dbraw/zinc/33/53/66/528335366.db2.gz WDBLUQXQRJRTNH-ZDUSSCGKSA-N 0 0 345.428 1.566 10 30 EDEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864732 528621801 /nfs/dbraw/zinc/62/18/01/528621801.db2.gz WHTUSNIVLCMSOH-KBPBESRZSA-N 0 0 348.451 1.065 10 30 EDEERN Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)C#CC(C)(C)C)n(C)c1=O ZINC000888094610 591024762 /nfs/dbraw/zinc/02/47/62/591024762.db2.gz FKNDDPIEWPYYHY-ZIAGYGMSSA-N 0 0 332.448 1.386 10 30 EDEERN Cc1cc(C#N)cnc1C(=O)N[C@H]1CCC[C@H]1Oc1cnn(C)c1 ZINC000888094869 591025638 /nfs/dbraw/zinc/02/56/38/591025638.db2.gz GRFQGWNNNIVXGX-LSDHHAIUSA-N 0 0 325.372 1.725 10 30 EDEERN N#Cc1ccc(F)c(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000888357695 593034848 /nfs/dbraw/zinc/03/48/48/593034848.db2.gz KTSVYMDTFGYSNF-CYBMUJFWSA-N 0 0 329.335 1.827 10 30 EDEERN CCn1cnnc1[C@H]1CN(C(=O)Nc2cc(C#N)ccc2F)CCO1 ZINC000888364538 593035666 /nfs/dbraw/zinc/03/56/66/593035666.db2.gz FFDGBFYGVXTHFD-CQSZACIVSA-N 0 0 344.350 1.914 10 30 EDEERN CN(Cc1csc(C#CCO)c1)S(=O)(=O)C1CCOCC1 ZINC000050200388 214049598 /nfs/dbraw/zinc/04/95/98/214049598.db2.gz IKNOVFIGEGNKEN-UHFFFAOYSA-N 0 0 329.443 1.033 10 30 EDEERN C#CCN(CC1CC1)C(=O)c1c(Cl)cccc1S(N)(=O)=O ZINC000161956195 201398939 /nfs/dbraw/zinc/39/89/39/201398939.db2.gz NOUKVTMUJQJJJU-UHFFFAOYSA-N 0 0 326.805 1.473 10 30 EDEERN N#C[C@@]1([C@H](O)c2cc3c(c(Cl)c2)OCO3)CCS(=O)(=O)C1 ZINC000157640091 201401721 /nfs/dbraw/zinc/40/17/21/201401721.db2.gz KTDOTSUUGMNGBC-OLZOCXBDSA-N 0 0 329.761 1.431 10 30 EDEERN CC(C)(C#N)NC(=O)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000062284138 202795010 /nfs/dbraw/zinc/79/50/10/202795010.db2.gz NZZADVHKQAAJIH-LLVKDONJSA-N 0 0 336.417 1.152 10 30 EDEERN COc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OCC#N ZINC000005879196 201665840 /nfs/dbraw/zinc/66/58/40/201665840.db2.gz WWVYTMPCSWOQFW-UHFFFAOYSA-N 0 0 329.312 1.031 10 30 EDEERN Cc1nc(C(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)cs1 ZINC000062613289 202799639 /nfs/dbraw/zinc/79/96/39/202799639.db2.gz AHGFBUAVRYPLKQ-UHFFFAOYSA-N 0 0 340.408 1.921 10 30 EDEERN CN1CCO[C@@H](CNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000110673522 204320237 /nfs/dbraw/zinc/32/02/37/204320237.db2.gz VHEMAKBGTAZQSG-KRWDZBQOSA-N 0 0 331.416 1.554 10 30 EDEERN N#Cc1cnn(-c2ccccn2)c1NC(=O)CNC(=O)c1ccccc1 ZINC000170525883 206577707 /nfs/dbraw/zinc/57/77/07/206577707.db2.gz SUILEEMTNAATLH-UHFFFAOYSA-N 0 0 346.350 1.507 10 30 EDEERN COC(=O)c1c(C)oc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)c1C#N ZINC000170521527 206578442 /nfs/dbraw/zinc/57/84/42/206578442.db2.gz LFKJJDYPSRKQSM-JTQLQIEISA-N 0 0 333.344 1.442 10 30 EDEERN Cc1cc(N2CCC[C@H](NC(=O)c3cccc(C#N)c3)C2=O)n(C)n1 ZINC000175008002 207083307 /nfs/dbraw/zinc/08/33/07/207083307.db2.gz IHTUTAVPFKYYNG-HNNXBMFYSA-N 0 0 337.383 1.526 10 30 EDEERN N#Cc1cc(Br)ccc1OCC(=O)N1CCC(=O)CC1 ZINC000161808872 225696605 /nfs/dbraw/zinc/69/66/05/225696605.db2.gz PTWJKJUFQROMGE-UHFFFAOYSA-N 0 0 337.173 1.891 10 30 EDEERN C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)C[C@@H]1O ZINC000329137527 277734385 /nfs/dbraw/zinc/73/43/85/277734385.db2.gz HPSIQSGPKOHDBF-NXHRZFHOSA-N 0 0 347.459 1.677 10 30 EDEERN O=S(=O)(c1cncc(Br)c1)N1CCC(=NO)CC1 ZINC000044243278 440827433 /nfs/dbraw/zinc/82/74/33/440827433.db2.gz QDNPWYBCAJUAIP-UHFFFAOYSA-N 0 0 334.195 1.459 10 30 EDEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccc(C#N)c1 ZINC000045406562 440982603 /nfs/dbraw/zinc/98/26/03/440982603.db2.gz DDSGEOZQYCBKFY-OAHLLOKOSA-N 0 0 335.429 1.379 10 30 EDEERN C#CCSCCNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000121466822 441712291 /nfs/dbraw/zinc/71/22/91/441712291.db2.gz PVSJXOTVFAZZOH-HNNXBMFYSA-N 0 0 336.461 1.277 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000136839377 441727837 /nfs/dbraw/zinc/72/78/37/441727837.db2.gz STDQPAKQZNTPCO-ZIAGYGMSSA-N 0 0 349.406 1.757 10 30 EDEERN N#Cc1c(Cl)nsc1N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000092664425 441818425 /nfs/dbraw/zinc/81/84/25/441818425.db2.gz GANDHXNMHNXDIG-LLVKDONJSA-N 0 0 340.836 1.886 10 30 EDEERN C[C@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1N1CCOCC1 ZINC000176990944 442281776 /nfs/dbraw/zinc/28/17/76/442281776.db2.gz IHOGWKJRIWOPOJ-YOEHRIQHSA-N 0 0 349.456 1.041 10 30 EDEERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C#N)ccc1C ZINC000177001543 442283483 /nfs/dbraw/zinc/28/34/83/442283483.db2.gz SVXFCROIWAYDFY-ZDUSSCGKSA-N 0 0 331.401 1.580 10 30 EDEERN N#CCCN(C(=O)CN1CCC[C@H](n2cncn2)C1)c1ccccc1 ZINC000171704361 442372279 /nfs/dbraw/zinc/37/22/79/442372279.db2.gz OAJGRTFPJMTNDL-KRWDZBQOSA-N 0 0 338.415 1.862 10 30 EDEERN COC(=O)CN1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000134584370 442497484 /nfs/dbraw/zinc/49/74/84/442497484.db2.gz SSISIRHXBJDCMG-UHFFFAOYSA-N 0 0 338.205 1.616 10 30 EDEERN C#CCOc1ccccc1NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000188067297 442707498 /nfs/dbraw/zinc/70/74/98/442707498.db2.gz VQHXHMXLKQJPGD-HNNXBMFYSA-N 0 0 340.383 1.828 10 30 EDEERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000188210136 442724972 /nfs/dbraw/zinc/72/49/72/442724972.db2.gz NJCAMMQJPOJVIQ-CQSZACIVSA-N 0 0 326.349 1.414 10 30 EDEERN CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2cccc(O)c2O)cc1 ZINC000254821334 443077437 /nfs/dbraw/zinc/07/74/37/443077437.db2.gz KSVKSEHVVWDXIN-UHFFFAOYSA-N 0 0 349.368 1.369 10 30 EDEERN N#Cc1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCCC[C@@H]1CCO ZINC000256049359 443116003 /nfs/dbraw/zinc/11/60/03/443116003.db2.gz ZMXCNJXLYMOQQE-GFCCVEGCSA-N 0 0 342.359 1.788 10 30 EDEERN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000185650704 443232846 /nfs/dbraw/zinc/23/28/46/443232846.db2.gz XUKFCLAKYXRNSG-CYBMUJFWSA-N 0 0 346.412 1.479 10 30 EDEERN COC(=O)C1(C#N)CCN(C(=O)Nc2cn(C(F)F)nc2C)CC1 ZINC000584645828 448588569 /nfs/dbraw/zinc/58/85/69/448588569.db2.gz FVSSKCDDGQONBM-UHFFFAOYSA-N 0 0 341.318 1.897 10 30 EDEERN C=CCOc1cncc(C(=N)NC(=N)c2cncc(OCC=C)n2)n1 ZINC000584661962 448589717 /nfs/dbraw/zinc/58/97/17/448589717.db2.gz KRHBPHPKKKONRB-UHFFFAOYSA-N 0 0 339.359 1.337 10 30 EDEERN C=C(C)CN(CC)C(=O)CN1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000105865167 526523784 /nfs/dbraw/zinc/52/37/84/526523784.db2.gz XQGILQSUSKHANV-HNNXBMFYSA-N 0 0 349.479 1.735 10 30 EDEERN C=CCOCCCC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000173558838 526730870 /nfs/dbraw/zinc/73/08/70/526730870.db2.gz NRGAWEURPMCBKJ-UHFFFAOYSA-N 0 0 348.447 1.964 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173905157 527111740 /nfs/dbraw/zinc/11/17/40/527111740.db2.gz NHFCBUVAHXVAHI-OAHLLOKOSA-N 0 0 347.390 1.776 10 30 EDEERN CN(C(=O)CNC(=O)N1CCC[C@@](F)(CO)C1)C1CCCCC1 ZINC000329307457 535957034 /nfs/dbraw/zinc/95/70/34/535957034.db2.gz ZEBREJJHBIBZGO-INIZCTEOSA-N 0 0 329.416 1.488 10 30 EDEERN N#Cc1cnccc1N1C[C@@H]2COCC[C@@]2(C(=O)N2CCCC2)C1 ZINC000888101211 591030018 /nfs/dbraw/zinc/03/00/18/591030018.db2.gz TXCQHVNSWSJQSS-CRAIPNDOSA-N 0 0 326.400 1.419 10 30 EDEERN C=C(Br)CNC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111842891 595959233 /nfs/dbraw/zinc/95/92/33/595959233.db2.gz PIBAWEBOQVLFBL-NSHDSACASA-N 0 0 329.198 1.202 10 30 EDEERN C=C(Br)CNC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181525708 699737667 /nfs/dbraw/zinc/73/76/67/699737667.db2.gz FLEATSJRMSGUJE-SNVBAGLBSA-N 0 0 342.241 1.924 10 30 EDEERN C#C[C@H](C)NC(=O)c1c(C)oc2[nH]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000186329246 705348294 /nfs/dbraw/zinc/34/82/94/705348294.db2.gz WMBQCZKAQIDEAM-JTQLQIEISA-N 0 0 337.335 1.332 10 30 EDEERN C[C@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000187010644 707555418 /nfs/dbraw/zinc/55/54/18/707555418.db2.gz OGOOFSYHOHFOSC-SSDOTTSWSA-N 0 0 342.320 1.170 10 30 EDEERN CCn1cnnc1C1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000130293045 237212714 /nfs/dbraw/zinc/21/27/14/237212714.db2.gz BMBPLFQRPWVWNF-UHFFFAOYSA-N 0 0 343.435 1.133 10 30 EDEERN COc1ccc(S(=O)(=O)NCCCSC)cc1C#CCO ZINC000069462414 202283523 /nfs/dbraw/zinc/28/35/23/202283523.db2.gz OBCIWLPDQAIWNW-UHFFFAOYSA-N 0 0 329.443 1.070 10 30 EDEERN CSC[C@H](C)CNS(=O)(=O)c1ccc(F)cc1C#CCO ZINC000069462447 202284086 /nfs/dbraw/zinc/28/40/86/202284086.db2.gz HEBRFCBTYMMURD-LLVKDONJSA-N 0 0 331.434 1.447 10 30 EDEERN CN(C)c1nn2cnnc2n(/N=C/c2ccc(C(C)(C)C)cc2)c1=O ZINC000041124508 202473679 /nfs/dbraw/zinc/47/36/79/202473679.db2.gz ODNYZDDXVQVMHZ-VXLYETTFSA-N 0 0 339.403 1.532 10 30 EDEERN C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H]1CCCO1 ZINC000184639063 138796613 /nfs/dbraw/zinc/79/66/13/138796613.db2.gz GYBXRYAUOPOZGH-SMDDNHRTSA-N 0 0 326.360 1.828 10 30 EDEERN COc1cc2c(c(OC)c1)C(C#N)N(CCCN1CCOCC1)C2=O ZINC000071680766 203102168 /nfs/dbraw/zinc/10/21/68/203102168.db2.gz PZOMZZBCEBKLDC-HNNXBMFYSA-N 0 0 345.399 1.447 10 30 EDEERN CCOc1ccc(/C=N\n2c(=O)c(C)nnc2SC)cc1OC ZINC000102494944 204040426 /nfs/dbraw/zinc/04/04/26/204040426.db2.gz ZNCBTOUHDPGSDH-SXGWCWSVSA-N 0 0 334.401 1.958 10 30 EDEERN C=CCN1c2ccc(NC(=O)CCC(=O)OC)cc2O[C@H](C)C1=O ZINC000012121121 211300041 /nfs/dbraw/zinc/30/00/41/211300041.db2.gz VURUUAMUASSKEF-LLVKDONJSA-N 0 0 332.356 1.878 10 30 EDEERN N#CCN(CC#N)c1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000040617934 132405097 /nfs/dbraw/zinc/40/50/97/132405097.db2.gz QASNWGOBLXVAIA-UHFFFAOYSA-N 0 0 349.354 1.801 10 30 EDEERN CNC(=O)[C@@](O)(NC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000003153053 290590833 /nfs/dbraw/zinc/59/08/33/290590833.db2.gz FZOUABSFDUBWEC-BYPYZUCNSA-N 0 0 336.154 1.109 10 30 EDEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000063401844 441327363 /nfs/dbraw/zinc/32/73/63/441327363.db2.gz DRGJIYNSRLCBEA-MRXNPFEDSA-N 0 0 342.443 1.977 10 30 EDEERN C[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000173878787 441854007 /nfs/dbraw/zinc/85/40/07/441854007.db2.gz RYTVXVGRMXELST-WMLDXEAASA-N 0 0 345.468 1.829 10 30 EDEERN CCOc1ccc(S(=O)(=O)NC2CCC(N)(C#N)CC2)cc1C ZINC000117628836 441875605 /nfs/dbraw/zinc/87/56/05/441875605.db2.gz HTSIIRZSCMDAQF-UHFFFAOYSA-N 0 0 337.445 1.836 10 30 EDEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000177637331 442365584 /nfs/dbraw/zinc/36/55/84/442365584.db2.gz RFZVSNYTUFCNPP-JTQLQIEISA-N 0 0 332.385 1.035 10 30 EDEERN Cc1oc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)c(C#N)c1C ZINC000171701767 442371964 /nfs/dbraw/zinc/37/19/64/442371964.db2.gz XMLMCDVNKMRKQH-CYBMUJFWSA-N 0 0 328.376 1.635 10 30 EDEERN C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000180090494 442540241 /nfs/dbraw/zinc/54/02/41/442540241.db2.gz ICKWWTRHINHQBP-CABCVRRESA-N 0 0 344.415 1.916 10 30 EDEERN CNC(=O)[C@@H]1CCCN1C(=O)NCCSCc1ccccc1C#N ZINC000179223608 442600300 /nfs/dbraw/zinc/60/03/00/442600300.db2.gz VHBAJCUBMUHSQD-HNNXBMFYSA-N 0 0 346.456 1.711 10 30 EDEERN Cc1noc([C@H]2COCCN2C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000182819857 442829779 /nfs/dbraw/zinc/82/97/79/442829779.db2.gz VUJPQRQDEMOKMC-GFCCVEGCSA-N 0 0 334.282 1.742 10 30 EDEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000248804082 442927354 /nfs/dbraw/zinc/92/73/54/442927354.db2.gz QXYUYLNVQLSQJY-WBVHZDCISA-N 0 0 332.448 1.865 10 30 EDEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(=O)NCC1CC1 ZINC000183780128 442963924 /nfs/dbraw/zinc/96/39/24/442963924.db2.gz YBWPERACNKTARN-UHFFFAOYSA-N 0 0 326.400 1.782 10 30 EDEERN COC(=O)c1ccccc1NC(=O)CON=C1CCCc2nonc21 ZINC000254387889 443075864 /nfs/dbraw/zinc/07/58/64/443075864.db2.gz YPJMIMCMPNKZPN-UHFFFAOYSA-N 0 0 344.327 1.552 10 30 EDEERN COCC(=O)NC1CN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000185227113 443164874 /nfs/dbraw/zinc/16/48/74/443164874.db2.gz VXQXPBIGVSOUOT-UHFFFAOYSA-N 0 0 349.390 1.812 10 30 EDEERN C=CCCOCCNC(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185903760 443279646 /nfs/dbraw/zinc/27/96/46/443279646.db2.gz UMWGOSFXMFMSGZ-HUUCEWRRSA-N 0 0 326.437 1.853 10 30 EDEERN COC(=O)Cc1c(I)cc([N+](=O)[O-])cc1C#N ZINC000575392472 449087427 /nfs/dbraw/zinc/08/74/27/449087427.db2.gz LSAAOMZWFOZRPG-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN N#CCOc1ccc(CC(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000126583618 534690421 /nfs/dbraw/zinc/69/04/21/534690421.db2.gz YCGVNHDWLRMTMG-INIZCTEOSA-N 0 0 339.399 1.662 10 30 EDEERN C=CCNc1ncc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)s1 ZINC000129378021 526680385 /nfs/dbraw/zinc/68/03/85/526680385.db2.gz UECDLSUAQRFLSO-QWHCGFSZSA-N 0 0 336.461 1.534 10 30 EDEERN C#CCCCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000177111825 526703536 /nfs/dbraw/zinc/70/35/36/526703536.db2.gz JDQNFUQVSBZXAC-AWEZNQCLSA-N 0 0 331.420 1.327 10 30 EDEERN CCOCCN1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000247175139 535602975 /nfs/dbraw/zinc/60/29/75/535602975.db2.gz NCOSVPHIJAQELX-CYBMUJFWSA-N 0 0 348.447 1.749 10 30 EDEERN Cc1cc(Br)c(N2CC[C@@](O)(c3cn[nH]n3)C2)c(C#N)c1 ZINC000893760389 591079776 /nfs/dbraw/zinc/07/97/76/591079776.db2.gz LUELUKZTBIKDGG-AWEZNQCLSA-N 0 0 348.204 1.845 10 30 EDEERN C[C@H](C#N)NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000125414009 597427524 /nfs/dbraw/zinc/42/75/24/597427524.db2.gz JFKRXFPMKNMVLM-DYTQJMLRSA-N 0 0 334.339 1.959 10 30 EDEERN N#Cc1ccsc1C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130154262 598060955 /nfs/dbraw/zinc/06/09/55/598060955.db2.gz YOVWPUMLPTUJGD-CHWSQXEVSA-N 0 0 347.352 1.352 10 30 EDEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000081603458 282618690 /nfs/dbraw/zinc/61/86/90/282618690.db2.gz FEVXGLRTVNLCBB-CYBMUJFWSA-N 0 0 329.381 1.545 10 30 EDEERN CC(C)c1oc(=O)cc2c1C[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O ZINC000004097898 290959610 /nfs/dbraw/zinc/95/96/10/290959610.db2.gz WXJASYTWXBVSQZ-UOMNFSLCSA-N 0 0 346.379 1.267 10 30 biogenic,in-vitro EDEERN CC(C)N1C[C@H](C(=O)Nc2ccc(C(=O)NCC#N)cc2)CC1=O ZINC000020369847 202040409 /nfs/dbraw/zinc/04/04/09/202040409.db2.gz NQRXNJAUUOLZPM-CYBMUJFWSA-N 0 0 328.372 1.135 10 30 EDEERN N#CCSc1nc2ccccc2c(=O)n1CCN1CCOCC1 ZINC000020643611 202052532 /nfs/dbraw/zinc/05/25/32/202052532.db2.gz OHZYOPXKBXGZHW-UHFFFAOYSA-N 0 0 330.413 1.344 10 30 EDEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(OCC#N)cc1 ZINC000083718433 236988519 /nfs/dbraw/zinc/98/85/19/236988519.db2.gz WNZIEVUIBSHABW-OAHLLOKOSA-N 0 0 340.387 1.823 10 30 EDEERN O=S(=O)(NC[C@H]1CCCS1)c1ccccc1C#CCCO ZINC000155940998 201397424 /nfs/dbraw/zinc/39/74/24/201397424.db2.gz PYFJNMYGBDGTPH-CQSZACIVSA-N 0 0 325.455 1.594 10 30 EDEERN COC(=O)[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156713062 201399106 /nfs/dbraw/zinc/39/91/06/201399106.db2.gz DJCMPIVYLAJJCG-CQSZACIVSA-N 0 0 336.413 1.217 10 30 EDEERN N#Cc1cccc(COc2cccc([C@H]3NC(=O)[C@@H]4COCCN43)c2)c1 ZINC000093885395 203708078 /nfs/dbraw/zinc/70/80/78/203708078.db2.gz YQSHWFLYRVVVQQ-OALUTQOASA-N 0 0 349.390 1.966 10 30 EDEERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)cn1 ZINC000116371220 204528956 /nfs/dbraw/zinc/52/89/56/204528956.db2.gz PHOGUYSARSMQTH-LLVKDONJSA-N 0 0 334.376 1.609 10 30 EDEERN Cc1cnn(C[C@H]2CN(C[C@H](O)c3ccc(C#N)cc3)CCO2)c1 ZINC000127474630 205101386 /nfs/dbraw/zinc/10/13/86/205101386.db2.gz BQDVEQSBKOFXLJ-MSOLQXFVSA-N 0 0 326.400 1.498 10 30 EDEERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000130042113 205221536 /nfs/dbraw/zinc/22/15/36/205221536.db2.gz XCUJXRWIBCITGB-ZDUSSCGKSA-N 0 0 326.360 1.844 10 30 EDEERN N#Cc1cccc(S(=O)(=O)CCN2CCN3CCCC[C@H]3C2)c1 ZINC000246165439 139097323 /nfs/dbraw/zinc/09/73/23/139097323.db2.gz RGGYLRYCXWRYBM-INIZCTEOSA-N 0 0 333.457 1.502 10 30 EDEERN N#Cc1cc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)ccc1F ZINC000173983745 206976669 /nfs/dbraw/zinc/97/66/69/206976669.db2.gz JJQKWHQEKCDNKN-LBPRGKRZSA-N 0 0 335.364 1.315 10 30 EDEERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C#N)cs2)ncn1 ZINC000175919390 207173606 /nfs/dbraw/zinc/17/36/06/207173606.db2.gz ARQYNICPEZDXPW-LBPRGKRZSA-N 0 0 342.428 1.850 10 30 EDEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000105279854 264246047 /nfs/dbraw/zinc/24/60/47/264246047.db2.gz GSPIKWTYBOGEDG-KRWDZBQOSA-N 0 0 328.416 1.586 10 30 EDEERN CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000025119174 441331151 /nfs/dbraw/zinc/33/11/51/441331151.db2.gz UCWNPRMCXOIQFX-GOSISDBHSA-N 0 0 346.394 1.987 10 30 EDEERN N#CCOc1cccc(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000089831047 441583821 /nfs/dbraw/zinc/58/38/21/441583821.db2.gz SURVREWTSLTQFU-MRXNPFEDSA-N 0 0 339.399 1.662 10 30 EDEERN C#CCOc1ccc(C(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)cc1 ZINC000173563697 441792854 /nfs/dbraw/zinc/79/28/54/441792854.db2.gz VCCKEVRDLQBYJR-HNNXBMFYSA-N 0 0 340.383 1.593 10 30 EDEERN C=CC1CCN(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173572740 441795025 /nfs/dbraw/zinc/79/50/25/441795025.db2.gz JHYVULNXMSMDMF-HNNXBMFYSA-N 0 0 345.447 1.832 10 30 EDEERN COCCN1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000117296889 441868660 /nfs/dbraw/zinc/86/86/60/441868660.db2.gz FSRLOTAIDCLDBA-OAHLLOKOSA-N 0 0 331.416 1.311 10 30 EDEERN CC#CCNC(=O)[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C ZINC000120911051 442150912 /nfs/dbraw/zinc/15/09/12/442150912.db2.gz GDIAGCVDXCHBHC-INIZCTEOSA-N 0 0 332.400 1.598 10 30 EDEERN C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000177231936 442317075 /nfs/dbraw/zinc/31/70/75/442317075.db2.gz KEPXURYGNAAEKD-YOEHRIQHSA-N 0 0 328.416 1.149 10 30 EDEERN CCn1cc(CN2CCCN(C(=O)C3(C#N)CCOCC3)CC2)cn1 ZINC000171764548 442379527 /nfs/dbraw/zinc/37/95/27/442379527.db2.gz IIYZQYCGZCKNMI-UHFFFAOYSA-N 0 0 345.447 1.258 10 30 EDEERN CCN(CCC#N)C(=O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000171561499 442357287 /nfs/dbraw/zinc/35/72/87/442357287.db2.gz XTQGWLUWDYXLBI-SFHVURJKSA-N 0 0 344.459 1.100 10 30 EDEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178528394 442441247 /nfs/dbraw/zinc/44/12/47/442441247.db2.gz JFYHAMFAKUVJFZ-DNVCBOLYSA-N 0 0 341.411 1.959 10 30 EDEERN C=CCOCCCC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173093189 442602603 /nfs/dbraw/zinc/60/26/03/442602603.db2.gz QQOPMKAAACJEIK-GOSISDBHSA-N 0 0 332.444 1.847 10 30 EDEERN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000193091103 442711767 /nfs/dbraw/zinc/71/17/67/442711767.db2.gz CIERUEIYPPQTIS-KGLIPLIRSA-N 0 0 346.431 1.721 10 30 EDEERN C#CCSCCNC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188113414 442712920 /nfs/dbraw/zinc/71/29/20/442712920.db2.gz YODGUEHKBQVYOT-NWDGAFQWSA-N 0 0 330.425 1.817 10 30 EDEERN C[C@H](C#N)CNC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000248437042 442891077 /nfs/dbraw/zinc/89/10/77/442891077.db2.gz GRJOBEMIQSIVNI-MGPQQGTHSA-N 0 0 336.461 1.969 10 30 EDEERN C=CCN(CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000248570515 442901202 /nfs/dbraw/zinc/90/12/02/442901202.db2.gz QQNWRMGLDRCHQY-KRWDZBQOSA-N 0 0 340.464 1.933 10 30 EDEERN N#CCCn1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000190156297 443064817 /nfs/dbraw/zinc/06/48/17/443064817.db2.gz OWBZJSJZOQUTMD-CYBMUJFWSA-N 0 0 341.375 1.212 10 30 EDEERN CCCc1c(C=NNC(N)=S)c(OC)c2c(c1OC)OCO2 ZINC000254492943 443076270 /nfs/dbraw/zinc/07/62/70/443076270.db2.gz NOPPDHDHOQIXMC-UHFFFAOYSA-N 0 0 325.390 1.552 10 30 EDEERN C=CCCOCCNC(=O)N[C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000185903779 443279493 /nfs/dbraw/zinc/27/94/93/443279493.db2.gz UMWGOSFXMFMSGZ-CABCVRRESA-N 0 0 326.437 1.853 10 30 EDEERN COc1cc(C#N)ccc1CN1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000328624818 444399773 /nfs/dbraw/zinc/39/97/73/444399773.db2.gz CPPJFWMIAZKIBF-LBPRGKRZSA-N 0 0 327.344 1.386 10 30 EDEERN C=CCNc1ncc(C(=O)N2CCCN(c3cccnn3)CC2)s1 ZINC000128703751 526679081 /nfs/dbraw/zinc/67/90/81/526679081.db2.gz HVNLBUAILRTUBX-UHFFFAOYSA-N 0 0 344.444 1.884 10 30 EDEERN CC[C@@H](O)CN1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000110742853 529226563 /nfs/dbraw/zinc/22/65/63/529226563.db2.gz DDWONMZFEVMXOY-MRXNPFEDSA-N 0 0 331.416 1.047 10 30 EDEERN C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000023306995 591900383 /nfs/dbraw/zinc/90/03/83/591900383.db2.gz LFJFDUFZDJLRQF-CYBMUJFWSA-N 0 0 346.408 1.991 10 30 EDEERN CCc1nccn1[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000105897781 529761308 /nfs/dbraw/zinc/76/13/08/529761308.db2.gz HBZJMYMLISZWFE-INIZCTEOSA-N 0 0 342.447 1.738 10 30 EDEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000132699885 138381098 /nfs/dbraw/zinc/38/10/98/138381098.db2.gz YFGLWECKCMZNFZ-HNNXBMFYSA-N 0 0 347.371 1.934 10 30 EDEERN C[C@@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H]1CCCO1 ZINC000184639045 138796706 /nfs/dbraw/zinc/79/67/06/138796706.db2.gz GYBXRYAUOPOZGH-RISCZKNCSA-N 0 0 326.360 1.828 10 30 EDEERN CN(Cc1csc(C#CCCO)c1)S(=O)(=O)N1CCCC1 ZINC000042365339 204088978 /nfs/dbraw/zinc/08/89/78/204088978.db2.gz NSDXDVMVVGLOGS-UHFFFAOYSA-N 0 0 328.459 1.254 10 30 EDEERN CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000245200623 139071060 /nfs/dbraw/zinc/07/10/60/139071060.db2.gz LNFNADPZIZLMIE-IAGOWNOFSA-N 0 0 345.443 1.679 10 30 EDEERN Cc1cc(N2CCC[C@@H](NC(=O)N3CC(O)(C4CC4)C3)C2)n(C)n1 ZINC000329378515 249838435 /nfs/dbraw/zinc/83/84/35/249838435.db2.gz MOTHQTUTYMZFSB-CQSZACIVSA-N 0 0 333.436 1.068 10 30 EDEERN C#CCOCCC(=O)N1CCOC[C@H]1c1nc(-c2cccs2)no1 ZINC000374243450 250257971 /nfs/dbraw/zinc/25/79/71/250257971.db2.gz HYNKQJJGKYAOLO-LBPRGKRZSA-N 0 0 347.396 1.738 10 30 EDEERN C=CCn1c(C)cc(C(=O)CN2CCN(C[C@@H](O)CC)CC2)c1C ZINC000118859093 221197676 /nfs/dbraw/zinc/19/76/76/221197676.db2.gz VHVGLQCVXPMNKQ-KRWDZBQOSA-N 0 0 333.476 1.862 10 30 EDEERN C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000118809008 221187041 /nfs/dbraw/zinc/18/70/41/221187041.db2.gz YAPWMSYKKGWCBQ-OAHLLOKOSA-N 0 0 344.415 1.687 10 30 EDEERN C[C@H](C(=O)[O-])[NH+]1CCN(c2cccc(Br)c2C#N)CC1 ZINC000168385519 226213886 /nfs/dbraw/zinc/21/38/86/226213886.db2.gz DKYYLGPEKPJBHO-SNVBAGLBSA-N 0 0 338.205 1.916 10 30 EDEERN CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000171844002 275542905 /nfs/dbraw/zinc/54/29/05/275542905.db2.gz URFCNCMLZWGMHQ-GFCCVEGCSA-N 0 0 327.392 1.843 10 30 EDEERN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000105281089 441246151 /nfs/dbraw/zinc/24/61/51/441246151.db2.gz NICNKGPNZLMTTO-OAHLLOKOSA-N 0 0 332.404 1.055 10 30 EDEERN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000121770379 441777228 /nfs/dbraw/zinc/77/72/28/441777228.db2.gz RYIHGFBDVXSYOY-LLVKDONJSA-N 0 0 331.401 1.526 10 30 EDEERN CCc1nnc([C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000173568247 441794599 /nfs/dbraw/zinc/79/45/99/441794599.db2.gz PCBFZTOQXOEUNB-AWEZNQCLSA-N 0 0 325.372 1.381 10 30 EDEERN C=CCOc1ccc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173604440 441802073 /nfs/dbraw/zinc/80/20/73/441802073.db2.gz OOQHZFXGCNGJFC-HNNXBMFYSA-N 0 0 328.372 1.892 10 30 EDEERN C#CCN(C(=O)N[C@H]1CCCn2nc(COC)nc21)C1CCCC1 ZINC000122494853 441852382 /nfs/dbraw/zinc/85/23/82/441852382.db2.gz HQAMLWSCANEJMN-AWEZNQCLSA-N 0 0 331.420 1.847 10 30 EDEERN O=C(NCCNC(=O)C1N=CC=CC1=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000120068513 442003180 /nfs/dbraw/zinc/00/31/80/442003180.db2.gz UXNVILBPJLHMOP-AYGAQVIVSA-N 0 0 331.416 1.845 10 30 EDEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000177160435 442307663 /nfs/dbraw/zinc/30/76/63/442307663.db2.gz HVSAZAKQVHPBGT-GJZGRUSLSA-N 0 0 341.371 1.272 10 30 EDEERN C#CCCCCNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000154997964 442369975 /nfs/dbraw/zinc/36/99/75/442369975.db2.gz YKLNWLLQWFBQJL-UHFFFAOYSA-N 0 0 331.464 1.668 10 30 EDEERN C#CCSCCNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000154784084 442356585 /nfs/dbraw/zinc/35/65/85/442356585.db2.gz CMGWRUSZDMIRJO-UHFFFAOYSA-N 0 0 349.504 1.231 10 30 EDEERN C#CCOc1ccccc1NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000188067323 442707474 /nfs/dbraw/zinc/70/74/74/442707474.db2.gz VQHXHMXLKQJPGD-OAHLLOKOSA-N 0 0 340.383 1.828 10 30 EDEERN CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000194157929 442853904 /nfs/dbraw/zinc/85/39/04/442853904.db2.gz AVTYOTSBDALYJW-ZDUSSCGKSA-N 0 0 334.807 1.751 10 30 EDEERN Cn1nccc1C1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000195503050 443025950 /nfs/dbraw/zinc/02/59/50/443025950.db2.gz SUKCOOKQFXKNBW-UHFFFAOYSA-N 0 0 329.448 1.942 10 30 EDEERN Cc1nc(C[C@H]2CCCN(CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1 ZINC000195517859 443027059 /nfs/dbraw/zinc/02/70/59/443027059.db2.gz QHSLPXHOJZBDCE-DYVFJYSZSA-N 0 0 331.420 1.441 10 30 EDEERN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)N[C@H]1CCN(C)C1=O ZINC000328623719 444398440 /nfs/dbraw/zinc/39/84/40/444398440.db2.gz JIPBSFFYQDUOBO-NEPJUHHUSA-N 0 0 336.461 1.948 10 30 EDEERN CCCc1[nH]c(=O)c(C(=O)NCC#N)cc1I ZINC000584631965 448588115 /nfs/dbraw/zinc/58/81/15/448588115.db2.gz GESRKFILEYYTBZ-UHFFFAOYSA-N 0 0 345.140 1.598 10 30 EDEERN Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2ccc(CC#N)cc2)cn1 ZINC000862923909 596451401 /nfs/dbraw/zinc/45/14/01/596451401.db2.gz MALQKNISYHGPMH-JKSUJKDBSA-N 0 0 326.356 1.062 10 30 EDEERN CN(Cc1cc(C#CCO)cs1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000063156731 214747858 /nfs/dbraw/zinc/74/78/58/214747858.db2.gz OMVHLLTTZWEIPS-ZDUSSCGKSA-N 0 0 329.443 1.033 10 30 EDEERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2ccc(C#N)nc2)C1 ZINC000372534609 282327574 /nfs/dbraw/zinc/32/75/74/282327574.db2.gz WXJDXDDKYALNOR-OAHLLOKOSA-N 0 0 337.383 1.708 10 30 EDEERN N#CCOc1ccccc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135304007 237250441 /nfs/dbraw/zinc/25/04/41/237250441.db2.gz VGEPGJPQZIJJHP-CQSZACIVSA-N 0 0 337.383 1.778 10 30 EDEERN CCOC(=O)[C@@H](N)CSCCC(=O)Nc1sccc1C#N ZINC000069584722 202286010 /nfs/dbraw/zinc/28/60/10/202286010.db2.gz NEEYOYJVJKIOAG-JTQLQIEISA-N 0 0 327.431 1.572 10 30 EDEERN C[C@@H]1CSCCN1S(=O)(=O)c1ccccc1C#CCCO ZINC000070224211 202321703 /nfs/dbraw/zinc/32/17/03/202321703.db2.gz DASQWGZQJIYBBJ-CYBMUJFWSA-N 0 0 325.455 1.547 10 30 EDEERN O=S(=O)(NCc1cc(C#CCO)cs1)c1cccc(F)c1 ZINC000071323180 202343573 /nfs/dbraw/zinc/34/35/73/202343573.db2.gz BUGYHUVQYFGDOU-UHFFFAOYSA-N 0 0 325.386 1.710 10 30 EDEERN CCS(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2Cl)CC1 ZINC000041259724 202479128 /nfs/dbraw/zinc/47/91/28/202479128.db2.gz UKFBGJJIGDAYOL-AWEZNQCLSA-N 0 0 327.837 1.872 10 30 EDEERN C=CCOC(=O)c1cc2c(=O)[nH]c(=O)n(Cc3ccco3)c2nc1C ZINC000072452050 216240167 /nfs/dbraw/zinc/24/01/67/216240167.db2.gz FSEDHCCZFIEFMO-UHFFFAOYSA-N 0 0 341.323 1.377 10 30 EDEERN O=S(=O)(NC[C@H]1CCCS1)c1cccc(C#CCCO)c1 ZINC000155941747 201397701 /nfs/dbraw/zinc/39/77/01/201397701.db2.gz DVGHCFXFUNGKMH-CQSZACIVSA-N 0 0 325.455 1.594 10 30 EDEERN N#CC1c2cccc(C(F)(F)F)c2C(=O)N1[C@@H]1CCS(=O)(=O)C1 ZINC000071681282 203102461 /nfs/dbraw/zinc/10/24/61/203102461.db2.gz MDRHVVWDNIZOIL-LDYMZIIASA-N 0 0 344.314 1.913 10 30 EDEERN Cc1nn2c(nnc3c(=O)n(CCS)cnc32)c1-c1ccccc1 ZINC000072449858 203226399 /nfs/dbraw/zinc/22/63/99/203226399.db2.gz NGSJPSJWOPJMFS-UHFFFAOYSA-N 0 0 338.396 1.739 10 30 EDEERN Cc1cc(C)n(C[C@H]2CN(C[C@H](O)c3ccc(C#N)cc3)CCO2)n1 ZINC000127475088 205101996 /nfs/dbraw/zinc/10/19/96/205101996.db2.gz ZTRROJNILHLIIN-MOPGFXCFSA-N 0 0 340.427 1.806 10 30 EDEERN COC(C)(C)CNS(=O)(=O)c1ccc(C#CCO)cc1Cl ZINC000161121106 205245634 /nfs/dbraw/zinc/24/56/34/205245634.db2.gz LAFPFQIQTFJYNX-UHFFFAOYSA-N 0 0 331.821 1.387 10 30 EDEERN C=C(Br)CNS(=O)(=O)c1ccc(C(=O)OC)cc1N ZINC000161340912 205573494 /nfs/dbraw/zinc/57/34/94/205573494.db2.gz QWGIXVIZHQBQRL-UHFFFAOYSA-N 0 0 349.206 1.242 10 30 EDEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000150698460 205574569 /nfs/dbraw/zinc/57/45/69/205574569.db2.gz OKJDQSPSTFJKLZ-AWEZNQCLSA-N 0 0 325.372 1.958 10 30 EDEERN N#CCNC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161140128 206331626 /nfs/dbraw/zinc/33/16/26/206331626.db2.gz VHCYXUHEVREYGD-CHWSQXEVSA-N 0 0 327.306 1.453 10 30 EDEERN O=C(NCc1ccnc2ccnn21)[C@H]1COCCN1CC(F)(F)F ZINC000329487270 249841257 /nfs/dbraw/zinc/84/12/57/249841257.db2.gz GOQOMZDZLIYFFH-LLVKDONJSA-N 0 0 343.309 1.449 10 30 EDEERN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177745926 207389083 /nfs/dbraw/zinc/38/90/83/207389083.db2.gz FKMBOYQUYGRVLJ-OAHLLOKOSA-N 0 0 340.383 1.833 10 30 EDEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(OCC#N)cc1 ZINC000081589731 441294466 /nfs/dbraw/zinc/29/44/66/441294466.db2.gz VGBAPUIHOBICEN-OAHLLOKOSA-N 0 0 325.372 1.683 10 30 EDEERN C=CCN(CC=C)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173428559 441747679 /nfs/dbraw/zinc/74/76/79/441747679.db2.gz DHXQXXGQBUILBX-AWEZNQCLSA-N 0 0 330.436 1.871 10 30 EDEERN C=C(C)COCCNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000151568434 442086067 /nfs/dbraw/zinc/08/60/67/442086067.db2.gz QJYIDVMHFMZVHX-OAHLLOKOSA-N 0 0 333.436 1.680 10 30 EDEERN C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1N1CCOCC1 ZINC000177832960 442389419 /nfs/dbraw/zinc/38/94/19/442389419.db2.gz RBOVRPWDJHPJDB-BLLLJJGKSA-N 0 0 332.379 1.882 10 30 EDEERN C#CCCCCNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000154874288 442361695 /nfs/dbraw/zinc/36/16/95/442361695.db2.gz DCDKYPNXUMVEJS-GJZGRUSLSA-N 0 0 335.360 1.092 10 30 EDEERN COC(=O)[C@@]1(C)CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000186387930 442523618 /nfs/dbraw/zinc/52/36/18/442523618.db2.gz MPORRWCDRYQBOP-GOSISDBHSA-N 0 0 329.400 1.961 10 30 EDEERN N#CCOc1ccc(CC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188506261 442757565 /nfs/dbraw/zinc/75/75/65/442757565.db2.gz JGLGKHATGYREPJ-UHFFFAOYSA-N 0 0 327.384 1.259 10 30 EDEERN N#CCOc1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188838501 442824573 /nfs/dbraw/zinc/82/45/73/442824573.db2.gz AVXLUAJONNMTRR-UHFFFAOYSA-N 0 0 342.399 1.399 10 30 EDEERN C=CCc1ccc(OC[C@@H](O)CN2CCCNC(=O)[C@H]2C)c(OC)c1 ZINC000189280477 442911572 /nfs/dbraw/zinc/91/15/72/442911572.db2.gz BUQGZIRUNPVZSM-ZBFHGGJFSA-N 0 0 348.443 1.374 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c(Cl)c1 ZINC000183662281 442950503 /nfs/dbraw/zinc/95/05/03/442950503.db2.gz GQUJXRWDMWAEQA-JTQLQIEISA-N 0 0 337.792 1.096 10 30 EDEERN Cc1ccc(-n2nc(C#N)c(N(C)[C@H]3CCS(=O)(=O)C3)n2)c(C)c1 ZINC000256046145 443115406 /nfs/dbraw/zinc/11/54/06/443115406.db2.gz DAZNRYODCZPXPS-ZDUSSCGKSA-N 0 0 345.428 1.379 10 30 EDEERN COC(=O)Cc1ccc([N+](=O)[O-])c(I)c1C#N ZINC000575392563 449087617 /nfs/dbraw/zinc/08/76/17/449087617.db2.gz QPGZCCPLVWWJHS-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN CCn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1cc(C#N)[nH]c1C ZINC000598204096 449293299 /nfs/dbraw/zinc/29/32/99/449293299.db2.gz SPCAHGMDIFNACQ-SWLSCSKDSA-N 0 0 327.388 1.919 10 30 EDEERN C=C(Br)CNC(=O)c1cc(C)cc(S(N)(=O)=O)c1 ZINC000168367074 526428318 /nfs/dbraw/zinc/42/83/18/526428318.db2.gz OGFRVJWODSLYSY-UHFFFAOYSA-N 0 0 333.207 1.281 10 30 EDEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000161320802 526650917 /nfs/dbraw/zinc/65/09/17/526650917.db2.gz GUHPEJOTYGBJOJ-CQSZACIVSA-N 0 0 340.387 1.330 10 30 EDEERN C#CCOc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000173810960 527097367 /nfs/dbraw/zinc/09/73/67/527097367.db2.gz ODGPEDXQGCQZNA-YJBOKZPZSA-N 0 0 328.412 1.491 10 30 EDEERN CCOCCN1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000247404191 535605707 /nfs/dbraw/zinc/60/57/07/535605707.db2.gz YVBNCWSQUQQLAI-CVEARBPZSA-N 0 0 344.459 1.928 10 30 EDEERN Cc1cc(Br)c(N2CC[C@](O)(c3cn[nH]n3)C2)c(C#N)c1 ZINC000893760391 591079708 /nfs/dbraw/zinc/07/97/08/591079708.db2.gz LUELUKZTBIKDGG-CQSZACIVSA-N 0 0 348.204 1.845 10 30 EDEERN C[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)O1 ZINC000121482458 595262358 /nfs/dbraw/zinc/26/23/58/595262358.db2.gz RMAQPEBGDZLZOU-RTXFEEFZSA-N 0 0 338.371 1.941 10 30 EDEERN Cc1noc([C@H](C)N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000127443098 597779152 /nfs/dbraw/zinc/77/91/52/597779152.db2.gz NMGDTKMCSNAOIM-SUMWQHHRSA-N 0 0 341.415 1.662 10 30 EDEERN N#Cc1ccsc1C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130154630 598060742 /nfs/dbraw/zinc/06/07/42/598060742.db2.gz YOVWPUMLPTUJGD-QWHCGFSZSA-N 0 0 347.352 1.352 10 30 EDEERN CN(Cc1csc(C#CCO)c1)S(=O)(=O)C[C@H]1CCCO1 ZINC000063156730 214748076 /nfs/dbraw/zinc/74/80/76/214748076.db2.gz ZBVXPAMBNWZBAR-CYBMUJFWSA-N 0 0 329.443 1.033 10 30 EDEERN CC1(C)C(Br)=C(COS(C)(=O)=O)C(C)(C)N1O ZINC000022053370 202077977 /nfs/dbraw/zinc/07/79/77/202077977.db2.gz VNVPHGVBCNANOU-UHFFFAOYSA-N 0 0 328.228 1.874 10 30 in-vitro EDEERN Cc1noc([C@@H]2COCCN2CCC(=O)Nc2sccc2C#N)n1 ZINC000161028492 138642067 /nfs/dbraw/zinc/64/20/67/138642067.db2.gz RMSLDWZSMMMCMR-LBPRGKRZSA-N 0 0 347.400 1.713 10 30 EDEERN NC(=S)N/N=C\c1cc(Br)c(Br)o1 ZINC000033938365 283397094 /nfs/dbraw/zinc/39/70/94/283397094.db2.gz UETQBSZDSYSNIK-SGAXSIHGSA-N 0 0 327.001 1.972 10 30 EDEERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000172993855 291328397 /nfs/dbraw/zinc/32/83/97/291328397.db2.gz WVSBYKOVMCUZHB-LBPRGKRZSA-N 0 0 342.804 1.928 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCS[C@@H](C)C1 ZINC000076282256 216740064 /nfs/dbraw/zinc/74/00/64/216740064.db2.gz HIJRGUXUAIXGNP-NSHDSACASA-N 0 0 336.388 1.740 10 30 EDEERN N#Cc1cc(F)c(N2CCN(c3ccc4nncn4n3)CC2)c(F)c1 ZINC000108947126 204274289 /nfs/dbraw/zinc/27/42/89/204274289.db2.gz KKRPYSSBWFKTOK-UHFFFAOYSA-N 0 0 341.325 1.601 10 30 EDEERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCO2)c1 ZINC000112093915 204382533 /nfs/dbraw/zinc/38/25/33/204382533.db2.gz PLOHIXIGQHKWJB-OAHLLOKOSA-N 0 0 346.412 1.153 10 30 EDEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000155811697 205038510 /nfs/dbraw/zinc/03/85/10/205038510.db2.gz GNGZVKRMQWRRMC-IUODEOHRSA-N 0 0 338.429 1.999 10 30 EDEERN COC(=O)c1c(C)oc(NC(=O)c2ccnc(NC(C)=O)c2)c1C#N ZINC000170493466 206576578 /nfs/dbraw/zinc/57/65/78/206576578.db2.gz VDBFWELDIVHPKM-UHFFFAOYSA-N 0 0 342.311 1.852 10 30 EDEERN CS(=O)(=O)[C@H]1CCCN(C(=O)NCCC2CCOCC2)CC1 ZINC000328719975 249803570 /nfs/dbraw/zinc/80/35/70/249803570.db2.gz QMMYLFOPAUZNOD-AWEZNQCLSA-N 0 0 332.466 1.616 10 30 EDEERN C=CCO[C@@H]1CCN(C(=O)c2cccnc2)[C@@H]1Cc1cnn(C)c1 ZINC000248154698 257662765 /nfs/dbraw/zinc/66/27/65/257662765.db2.gz VIJAWTNWHNVUON-IAGOWNOFSA-N 0 0 326.400 1.844 10 30 EDEERN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104797346 441210392 /nfs/dbraw/zinc/21/03/92/441210392.db2.gz LGPAGAXIBMGQNA-KRWDZBQOSA-N 0 0 346.431 1.047 10 30 EDEERN CCOc1cc(C)nc(N2CCN(C[C@H](C#N)CCC#N)CC2)n1 ZINC000105903485 441313400 /nfs/dbraw/zinc/31/34/00/441313400.db2.gz KEMPBFYHEQPPGC-HNNXBMFYSA-N 0 0 328.420 1.749 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000136838094 441728268 /nfs/dbraw/zinc/72/82/68/441728268.db2.gz SZTPEIPXHQKKGU-HNNXBMFYSA-N 0 0 349.406 1.758 10 30 EDEERN N#Cc1ccc(C(=O)NCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000151302569 442039929 /nfs/dbraw/zinc/03/99/29/442039929.db2.gz DRFPVOXTHYTXIY-LPHOPBHVSA-N 0 0 341.411 1.442 10 30 EDEERN CCOCCN1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1CC ZINC000165338966 442208105 /nfs/dbraw/zinc/20/81/05/442208105.db2.gz WOXXHKLWXVHVDY-CQSZACIVSA-N 0 0 329.466 1.053 10 30 EDEERN C[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1N1CCOCC1 ZINC000121364786 442208894 /nfs/dbraw/zinc/20/88/94/442208894.db2.gz IPTDXIUNWYXXFV-NHYWBVRUSA-N 0 0 335.354 1.629 10 30 EDEERN C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177343311 442330180 /nfs/dbraw/zinc/33/01/80/442330180.db2.gz DQGXXITVJDWUAH-AWEZNQCLSA-N 0 0 338.371 1.032 10 30 EDEERN COC(=O)[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000179117795 442576013 /nfs/dbraw/zinc/57/60/13/442576013.db2.gz QHPGHISIGYJTMR-HNNXBMFYSA-N 0 0 336.413 1.359 10 30 EDEERN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000248252937 442887098 /nfs/dbraw/zinc/88/70/98/442887098.db2.gz NAXVLNVUGLCYCD-SWLSCSKDSA-N 0 0 338.429 1.448 10 30 EDEERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000189312859 442919304 /nfs/dbraw/zinc/91/93/04/442919304.db2.gz WYZYHHRBGXNPIN-UONOGXRCSA-N 0 0 347.419 1.483 10 30 EDEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000184908254 443095801 /nfs/dbraw/zinc/09/58/01/443095801.db2.gz RZFOJUAPZCGSJU-KGLIPLIRSA-N 0 0 330.384 1.304 10 30 EDEERN COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000185887128 443276017 /nfs/dbraw/zinc/27/60/17/443276017.db2.gz SGSPUGHWSYVVLO-GFCCVEGCSA-N 0 0 347.400 1.601 10 30 EDEERN Cn1cc(CC(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccs2)cn1 ZINC000328627064 444401039 /nfs/dbraw/zinc/40/10/39/444401039.db2.gz FTVBIZFBNPCUJA-STQMWFEESA-N 0 0 337.424 1.988 10 30 EDEERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)c2ccc(C#N)nc2)C1 ZINC000372534608 447117749 /nfs/dbraw/zinc/11/77/49/447117749.db2.gz WXJDXDDKYALNOR-HNNXBMFYSA-N 0 0 337.383 1.708 10 30 EDEERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)ON2C(=O)CCC2=O)CC1 ZINC000575431717 447861445 /nfs/dbraw/zinc/86/14/45/447861445.db2.gz GILNMFDULVWYHG-PHIMTYICSA-N 0 0 340.376 1.677 10 30 EDEERN CC1(C)NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489884852 447877278 /nfs/dbraw/zinc/87/72/78/447877278.db2.gz KHMVGVKOZYGRHE-GFCCVEGCSA-N 0 0 325.365 1.033 10 30 EDEERN N=C(N)NN=Cc1ccc(Oc2ccc(C=NNC(=N)N)cc2)cc1 ZINC000584604674 448584068 /nfs/dbraw/zinc/58/40/68/448584068.db2.gz DRTJGRCSPJIPPA-VGENTYGXSA-N 0 0 338.375 1.113 10 30 EDEERN COC(=O)Cc1c(C#N)cc(I)cc1[N+](=O)[O-] ZINC000575392780 449088585 /nfs/dbraw/zinc/08/85/85/449088585.db2.gz WITJMSPLUKVUOZ-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN N#Cc1ccc([C@H]2CNCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000616639583 450456994 /nfs/dbraw/zinc/45/69/94/450456994.db2.gz RNJYXZBNTLZUPP-QGZVFWFLSA-N 0 0 327.409 1.893 10 30 EDEERN N#CCCN(C(=O)CSC[C@H](O)CO)c1cccc(Cl)c1 ZINC000177420490 534633182 /nfs/dbraw/zinc/63/31/82/534633182.db2.gz BPJUWFBRLPGHPR-CYBMUJFWSA-N 0 0 328.821 1.673 10 30 EDEERN CCN(C[C@H](C)C#N)C(=O)CN1CCC(c2nncn2CC)CC1 ZINC000130292822 528692805 /nfs/dbraw/zinc/69/28/05/528692805.db2.gz MYJRASTWHRIOKF-CQSZACIVSA-N 0 0 332.452 1.486 10 30 EDEERN N#Cc1ccc(F)c(NC(=O)N2CCO[C@H](Cn3cccn3)C2)c1 ZINC000888357696 593034927 /nfs/dbraw/zinc/03/49/27/593034927.db2.gz KTSVYMDTFGYSNF-ZDUSSCGKSA-N 0 0 329.335 1.827 10 30 EDEERN N#Cc1ccc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)nc1 ZINC000107596167 595377510 /nfs/dbraw/zinc/37/75/10/595377510.db2.gz XMEFBGWXUNXCOE-GOSISDBHSA-N 0 0 336.395 1.445 10 30 EDEERN C#CCN1CCN(C(=O)[C@H](NC(=O)c2ccccc2)[C@H](C)CC)CC1 ZINC000128270940 597869757 /nfs/dbraw/zinc/86/97/57/597869757.db2.gz LXVWPANKXREQTQ-SJLPKXTDSA-N 0 0 341.455 1.609 10 30 EDEERN C#CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000134609373 598112032 /nfs/dbraw/zinc/11/20/32/598112032.db2.gz OTRPROWVINJXEG-AEFFLSMTSA-N 0 0 343.402 1.123 10 30 EDEERN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000133497650 237241809 /nfs/dbraw/zinc/24/18/09/237241809.db2.gz BHVKKRPBSQRDJB-VXGBXAGGSA-N 0 0 326.360 1.705 10 30 EDEERN Cc1cc(S(=O)(=O)N2CCSC[C@@H]2C)ccc1C#CCO ZINC000070224216 202321946 /nfs/dbraw/zinc/32/19/46/202321946.db2.gz QVEJXYMRDUOSBJ-ZDUSSCGKSA-N 0 0 325.455 1.465 10 30 EDEERN C[C@H](NC(=O)c1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000023445483 212378623 /nfs/dbraw/zinc/37/86/23/212378623.db2.gz SMXQHHTYTBIDDK-NSHDSACASA-N 0 0 329.381 1.697 10 30 EDEERN CC(C)(C#N)NC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000062195220 202795356 /nfs/dbraw/zinc/79/53/56/202795356.db2.gz NDHGBBQHIDMPTK-UHFFFAOYSA-N 0 0 349.456 1.896 10 30 EDEERN CC(C)n1nnnc1CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O ZINC000195516431 139018964 /nfs/dbraw/zinc/01/89/64/139018964.db2.gz IPMYGMAHUUMBDM-MRXNPFEDSA-N 0 0 339.359 1.093 10 30 EDEERN N#Cc1cnn(-c2ccc(C(=O)NC[C@H]3CCCC[C@H]3O)cc2)c1N ZINC000155505191 205014810 /nfs/dbraw/zinc/01/48/10/205014810.db2.gz DMHRSSBPSGZFBK-CZUORRHYSA-N 0 0 339.399 1.607 10 30 EDEERN C[C@H](C(=O)Nc1ccccc1C#N)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247154722 139138048 /nfs/dbraw/zinc/13/80/48/139138048.db2.gz LVURXTZDWJSLMD-GDBMZVCRSA-N 0 0 339.399 1.483 10 30 EDEERN C=CCNS(=O)(=O)c1cc(N2CCCCS2(=O)=O)ccc1C ZINC000012208445 211319839 /nfs/dbraw/zinc/31/98/39/211319839.db2.gz IZTQOBVAYUYQLW-UHFFFAOYSA-N 0 0 344.458 1.389 10 30 EDEERN C=CCc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)cc(OC)c1OC ZINC000112647584 220362043 /nfs/dbraw/zinc/36/20/43/220362043.db2.gz GFJUVXMOVMMWSY-CQSZACIVSA-N 0 0 342.399 1.769 10 30 EDEERN CCOCCN1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@H]1C ZINC000117279811 221042485 /nfs/dbraw/zinc/04/24/85/221042485.db2.gz WXBNQDKVLISGOE-HZPDHXFCSA-N 0 0 345.443 1.895 10 30 EDEERN C=CCC[C@@H](CN1CCN(C(C)=O)CC1)Oc1cccc(C#N)n1 ZINC000072476504 441232324 /nfs/dbraw/zinc/23/23/24/441232324.db2.gz DIWSDVXBHOCGOR-KRWDZBQOSA-N 0 0 328.416 1.831 10 30 EDEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CCO[C@@H](c2nccs2)C1 ZINC000137076184 441745133 /nfs/dbraw/zinc/74/51/33/441745133.db2.gz MKXYVWOPKJDMRB-OAHLLOKOSA-N 0 0 342.376 1.823 10 30 EDEERN C#CCSCCNC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000121506624 441721489 /nfs/dbraw/zinc/72/14/89/441721489.db2.gz BQAFICANUGDMIH-CQSZACIVSA-N 0 0 333.461 1.453 10 30 EDEERN COc1cc(C#N)ccc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000120859383 442142436 /nfs/dbraw/zinc/14/24/36/442142436.db2.gz QJAYPJIGRAJJKC-UHFFFAOYSA-N 0 0 349.398 1.327 10 30 EDEERN N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H](n3cncn3)C2)c1 ZINC000128644228 442279488 /nfs/dbraw/zinc/27/94/88/442279488.db2.gz UFPHFDYFAQYFNY-OAHLLOKOSA-N 0 0 345.428 1.261 10 30 EDEERN Cc1ccccc1[C@H](C)NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000171897124 442387995 /nfs/dbraw/zinc/38/79/95/442387995.db2.gz RQVDNHOGVFANJV-WPCFGXOUSA-N 0 0 342.399 1.882 10 30 EDEERN CCN(CCC#N)C(=O)CN1CCN(c2nc3ccccc3o2)CC1 ZINC000171559774 442357460 /nfs/dbraw/zinc/35/74/60/442357460.db2.gz GCELPZQDLILLBY-UHFFFAOYSA-N 0 0 341.415 1.712 10 30 EDEERN CN1C(=O)C[C@H](C(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccc(F)cc1 ZINC000130942169 442360222 /nfs/dbraw/zinc/36/02/22/442360222.db2.gz WWWBYFVEMYAKEK-YCPHGPKFSA-N 0 0 331.347 1.096 10 30 EDEERN C#CCCCCNC(=O)N1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000154901871 442363825 /nfs/dbraw/zinc/36/38/25/442363825.db2.gz XEQFFBCDFDITMW-AWEZNQCLSA-N 0 0 333.436 1.824 10 30 EDEERN C#CCC(C)(C)C(=O)N1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000186272359 442501990 /nfs/dbraw/zinc/50/19/90/442501990.db2.gz QSJXGDQGHKGSRD-UHFFFAOYSA-N 0 0 330.432 1.882 10 30 EDEERN C=CCNC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000181645724 442708565 /nfs/dbraw/zinc/70/85/65/442708565.db2.gz ODXBOHPGYRTWNH-WMLDXEAASA-N 0 0 329.400 1.015 10 30 EDEERN C[C@H](O)CN1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1C ZINC000246765505 442811705 /nfs/dbraw/zinc/81/17/05/442811705.db2.gz PBHHXAQDGZEFCH-GJZGRUSLSA-N 0 0 347.484 1.705 10 30 EDEERN C=CCNc1ncc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)s1 ZINC000182737777 442816666 /nfs/dbraw/zinc/81/66/66/442816666.db2.gz LHJDQHUXPZGMRO-OLZOCXBDSA-N 0 0 338.477 1.658 10 30 EDEERN CN1C(=O)C[C@H](C(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccc(F)cc1 ZINC000245690077 443244568 /nfs/dbraw/zinc/24/45/68/443244568.db2.gz WWWBYFVEMYAKEK-DZKIICNBSA-N 0 0 331.347 1.096 10 30 EDEERN Cn1cc(O[C@@H]2CN(c3c(C#N)cnc4ccccc43)C[C@H]2O)cn1 ZINC000599114466 449745122 /nfs/dbraw/zinc/74/51/22/449745122.db2.gz OLGPZUXWENFUTL-IAGOWNOFSA-N 0 0 335.367 1.468 10 30 EDEERN C[C@H](NC(=O)c1ccco1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000174154564 533760824 /nfs/dbraw/zinc/76/08/24/533760824.db2.gz MQDRMJSBACOCIN-LBPRGKRZSA-N 0 0 327.340 1.465 10 30 EDEERN CC(C)c1nc2c(n1C)CCN(CC(=O)N(CCC#N)CCC#N)C2 ZINC000106371963 528326708 /nfs/dbraw/zinc/32/67/08/528326708.db2.gz ODZDYDGUXLONTQ-UHFFFAOYSA-N 0 0 342.447 1.558 10 30 EDEERN C#CCN1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)CC)CC1 ZINC000128270711 597869821 /nfs/dbraw/zinc/86/98/21/597869821.db2.gz LXVWPANKXREQTQ-WMZOPIPTSA-N 0 0 341.455 1.609 10 30 EDEERN C[C@H]1CSCCN1S(=O)(=O)c1cccc(C#CCCO)c1 ZINC000070224241 202321649 /nfs/dbraw/zinc/32/16/49/202321649.db2.gz SGBZXVAVSBGYFN-ZDUSSCGKSA-N 0 0 325.455 1.547 10 30 EDEERN CNc1ncc(Br)cc1C(=O)N(CCC#N)CCOC ZINC000071233002 202342271 /nfs/dbraw/zinc/34/22/71/202342271.db2.gz POQZBICXDJDERJ-UHFFFAOYSA-N 0 0 341.209 1.888 10 30 EDEERN N#Cc1nccnc1NC[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000564903884 306369041 /nfs/dbraw/zinc/36/90/41/306369041.db2.gz CQLMZEXXIHOBFK-GUYCJALGSA-N 0 0 334.383 1.907 10 30 EDEERN O=S(=O)(NCc1cc(C#CCO)cs1)c1ccccc1F ZINC000071323167 202343812 /nfs/dbraw/zinc/34/38/12/202343812.db2.gz HPSDCBQWBYULLE-UHFFFAOYSA-N 0 0 325.386 1.710 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)CC2 ZINC000114873288 201071864 /nfs/dbraw/zinc/07/18/64/201071864.db2.gz BJCQDHMCTYNEES-CQSZACIVSA-N 0 0 339.399 1.417 10 30 EDEERN O=S(=O)(NN1CCCCC1)c1ccc(C#CCO)cc1Cl ZINC000149935040 201092181 /nfs/dbraw/zinc/09/21/81/201092181.db2.gz ANTJNHBGIDDQQP-UHFFFAOYSA-N 0 0 328.821 1.363 10 30 EDEERN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NC(C)(C)C#N)cc2)C1=O ZINC000062284268 202795238 /nfs/dbraw/zinc/79/52/38/202795238.db2.gz LVGFWPKZPLWODD-JTQLQIEISA-N 0 0 335.385 1.031 10 30 EDEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000076826798 203364528 /nfs/dbraw/zinc/36/45/28/203364528.db2.gz SJZJKXDSPKFXST-CQSZACIVSA-N 0 0 339.392 1.840 10 30 EDEERN N#Cc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)c(F)c1 ZINC000105816998 204164757 /nfs/dbraw/zinc/16/47/57/204164757.db2.gz LALPXGVAZGFODK-UHFFFAOYSA-N 0 0 337.362 1.457 10 30 EDEERN Cc1cccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1C#N ZINC000123161970 204904260 /nfs/dbraw/zinc/90/42/60/204904260.db2.gz SVZFBGGEHOHBFR-IFXJQAMLSA-N 0 0 341.411 1.959 10 30 EDEERN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000131833480 205305630 /nfs/dbraw/zinc/30/56/30/205305630.db2.gz RVWPXUMHHNJCGZ-SNVBAGLBSA-N 0 0 348.313 1.888 10 30 EDEERN CN(CCC#N)S(=O)(=O)c1cc(N)c(Br)cc1F ZINC000162215341 206391291 /nfs/dbraw/zinc/39/12/91/206391291.db2.gz PLESJZROFROUQT-UHFFFAOYSA-N 0 0 336.186 1.705 10 30 EDEERN Cn1nccc1[C@@H]1[C@H](C(=O)Nc2cnn(C(F)F)c2)CC(=O)N1C ZINC000330338912 249853361 /nfs/dbraw/zinc/85/33/61/249853361.db2.gz WALVVUODZNYOFX-SKDRFNHKSA-N 0 0 338.318 1.819 10 30 EDEERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(C#N)c3)C2=O)n(C)n1 ZINC000175008018 207084142 /nfs/dbraw/zinc/08/41/42/207084142.db2.gz IHTUTAVPFKYYNG-OAHLLOKOSA-N 0 0 337.383 1.526 10 30 EDEERN C=CCCOCCNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000122654599 222131342 /nfs/dbraw/zinc/13/13/42/222131342.db2.gz GTNLBRXSZHGKED-SFHVURJKSA-N 0 0 347.459 1.640 10 30 EDEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N1CCOCC1 ZINC000080337811 441162666 /nfs/dbraw/zinc/16/26/66/441162666.db2.gz MBDVJZOUHYZFDR-YJBOKZPZSA-N 0 0 345.443 1.799 10 30 EDEERN N#Cc1cccc(CS(=O)(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000111343411 441534486 /nfs/dbraw/zinc/53/44/86/441534486.db2.gz WNQSDCGKGNTUDT-AWEZNQCLSA-N 0 0 349.437 1.918 10 30 EDEERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)CCCCC#N)C2)n1 ZINC000116899517 441859013 /nfs/dbraw/zinc/85/90/13/441859013.db2.gz CHXABJGYPIDBHH-HNNXBMFYSA-N 0 0 339.465 1.631 10 30 EDEERN C=CCCS(=O)(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000121233717 442195099 /nfs/dbraw/zinc/19/50/99/442195099.db2.gz IVRSNMVKKBGZHV-CQSZACIVSA-N 0 0 344.502 1.925 10 30 EDEERN COCCN1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H]1C ZINC000175982359 442156800 /nfs/dbraw/zinc/15/68/00/442156800.db2.gz QAGUVKNJVXLSMV-OAHLLOKOSA-N 0 0 346.431 1.299 10 30 EDEERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128668062 442280941 /nfs/dbraw/zinc/28/09/41/442280941.db2.gz LAGCKZVLSNMJRO-GDBMZVCRSA-N 0 0 333.457 1.500 10 30 EDEERN CN1CCO[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000171707004 442372105 /nfs/dbraw/zinc/37/21/05/442372105.db2.gz QEGMPUWCUCPXMI-QGZVFWFLSA-N 0 0 328.416 1.563 10 30 EDEERN N#CC1(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CCOCC1 ZINC000171764524 442378912 /nfs/dbraw/zinc/37/89/12/442378912.db2.gz ZOVBTZOHXGTZJI-KRWDZBQOSA-N 0 0 343.427 1.185 10 30 EDEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@@H](O)CN1C(C)=O ZINC000192973326 442702742 /nfs/dbraw/zinc/70/27/42/442702742.db2.gz WSGFPGIRSWNCNY-HZPDHXFCSA-N 0 0 347.371 1.091 10 30 EDEERN N#Cc1cc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)ccc1F ZINC000180971487 442672439 /nfs/dbraw/zinc/67/24/39/442672439.db2.gz BUMBXNVAVZPVDP-GFCCVEGCSA-N 0 0 349.391 1.390 10 30 EDEERN CC[C@@H](C#N)NC(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C ZINC000188339707 442741074 /nfs/dbraw/zinc/74/10/74/442741074.db2.gz FXIJQQUOTYDDDJ-QWHCGFSZSA-N 0 0 335.408 1.746 10 30 EDEERN C=CCNc1ncc(C(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)s1 ZINC000182737759 442816090 /nfs/dbraw/zinc/81/60/90/442816090.db2.gz LHJDQHUXPZGMRO-CHWSQXEVSA-N 0 0 338.477 1.658 10 30 EDEERN CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000248699232 442919246 /nfs/dbraw/zinc/91/92/46/442919246.db2.gz DSQXEJJUCUPSJC-GDBMZVCRSA-N 0 0 333.436 1.284 10 30 EDEERN C#CCSCCNC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190717317 443169735 /nfs/dbraw/zinc/16/97/35/443169735.db2.gz COEHBRSSFOPRAZ-QGZVFWFLSA-N 0 0 346.500 1.911 10 30 EDEERN C=CCN(CCOC)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000190633444 443153010 /nfs/dbraw/zinc/15/30/10/443153010.db2.gz KJMHUUFSMLUJPJ-CYBMUJFWSA-N 0 0 340.445 1.995 10 30 EDEERN O=C(Cc1cccnc1)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328655399 444417573 /nfs/dbraw/zinc/41/75/73/444417573.db2.gz YILJSARKVFNWJL-HOTGVXAUSA-N 0 0 329.379 1.983 10 30 EDEERN Cc1cn2nc(N[C@@H]3CCN(C(=O)c4ccc(C#N)cn4)C3)ccc2n1 ZINC000552309188 447942959 /nfs/dbraw/zinc/94/29/59/447942959.db2.gz ZPXXCWTUHYAKDG-CQSZACIVSA-N 0 0 347.382 1.631 10 30 EDEERN CN(C)C(=O)COC[C@H]1CN(c2ccncc2C#N)CC(C)(C)O1 ZINC000583616741 448444130 /nfs/dbraw/zinc/44/41/30/448444130.db2.gz KYZMSBKTHAHLOQ-CQSZACIVSA-N 0 0 332.404 1.042 10 30 EDEERN O=S1(=O)N[C@H](C#CBr)CCN1Cc1ccccc1 ZINC000584624830 448585899 /nfs/dbraw/zinc/58/58/99/448585899.db2.gz ZGALRAVMPBMRCO-GFCCVEGCSA-N 0 0 329.219 1.451 10 30 EDEERN Cc1cc(C#N)nc(NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)n1 ZINC000591951253 448597375 /nfs/dbraw/zinc/59/73/75/448597375.db2.gz GGZVHZXOMDPWGN-KSSFIOAISA-N 0 0 348.410 2.216 10 30 EDEERN N#Cc1ccc(F)c(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 ZINC000174399366 534785882 /nfs/dbraw/zinc/78/58/82/534785882.db2.gz YUGOZMUCCDHVQY-MRXNPFEDSA-N 0 0 340.358 1.593 10 30 EDEERN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000175955017 526650999 /nfs/dbraw/zinc/65/09/99/526650999.db2.gz WTWYIAAZCJSYQR-AWEZNQCLSA-N 0 0 340.387 1.851 10 30 EDEERN C#Cc1cccc(NC(=O)CNC(=O)C2CCC(C(=O)OC)CC2)c1 ZINC000179471869 527452537 /nfs/dbraw/zinc/45/25/37/527452537.db2.gz ALKTVXWPBSJZPA-UHFFFAOYSA-N 0 0 342.395 1.702 10 30 EDEERN CCOCCN1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000247212837 535604802 /nfs/dbraw/zinc/60/48/02/535604802.db2.gz PVZUAXIEGLYHPA-OAHLLOKOSA-N 0 0 330.432 1.539 10 30 EDEERN CN1CCN(C(=O)NCc2cccc(N3CCOCC3)c2)C[C@@H]1C#N ZINC000330359150 536397871 /nfs/dbraw/zinc/39/78/71/536397871.db2.gz VSFSHXRDEBYSQB-KRWDZBQOSA-N 0 0 343.431 1.077 10 30 EDEERN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000121810397 596543709 /nfs/dbraw/zinc/54/37/09/596543709.db2.gz IMEIXKVKXAILTR-APHBMKBZSA-N 0 0 330.384 1.630 10 30 EDEERN CNc1ncc(Br)cc1S(=O)(=O)N(C)CCC#N ZINC000050634752 214061636 /nfs/dbraw/zinc/06/16/36/214061636.db2.gz FOYGSNOSSFYTAD-UHFFFAOYSA-N 0 0 333.211 1.420 10 30 EDEERN N#C[C@@H](NCCCO)c1cc(Br)c2c(c1)OCCO2 ZINC000053708942 214195044 /nfs/dbraw/zinc/19/50/44/214195044.db2.gz VANRUMYKFGORFH-LLVKDONJSA-N 0 0 327.178 1.757 10 30 EDEERN COc1ccc(Br)c(C(=O)NC[C@H](C)/C(N)=N/O)c1 ZINC000054155159 214220259 /nfs/dbraw/zinc/22/02/59/214220259.db2.gz PIBKNIAARGISRG-ZETCQYMHSA-N 0 0 330.182 1.570 10 30 EDEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173983420 231089988 /nfs/dbraw/zinc/08/99/88/231089988.db2.gz YXHJAVNKDFQXDL-AWEZNQCLSA-N 0 0 331.401 1.484 10 30 EDEERN N#Cc1ccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)c(F)c1 ZINC000174767930 231303960 /nfs/dbraw/zinc/30/39/60/231303960.db2.gz WZMNWDVIKNFUTN-CQSZACIVSA-N 0 0 328.351 1.836 10 30 EDEERN CS(=O)(=O)NCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725246084 539384302 /nfs/dbraw/zinc/38/43/02/539384302.db2.gz RBJIEHVUYCNWPG-UHFFFAOYSA-N 0 0 328.191 1.226 10 30 EDEERN N#C[C@]1(NS(=O)(=O)c2c(Cl)nc3sccn32)CCSC1 ZINC000040691425 213370742 /nfs/dbraw/zinc/37/07/42/213370742.db2.gz KDHPECCALDKDNE-SNVBAGLBSA-N 0 0 348.862 1.727 10 30 EDEERN N#Cc1ccc(N2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)nc1 ZINC000096089932 283160405 /nfs/dbraw/zinc/16/04/05/283160405.db2.gz OOGWHDGQCSFXPJ-SFHVURJKSA-N 0 0 334.383 1.767 10 30 EDEERN N#Cc1ccccc1NC(=O)CSc1nnc(C(F)(F)F)n1N ZINC000020841631 212175368 /nfs/dbraw/zinc/17/53/68/212175368.db2.gz ZZIQCNLVRHLROV-UHFFFAOYSA-N 0 0 342.306 1.613 10 30 EDEERN N#Cc1ccc(S(=O)(=O)CCN2CCN3CCCC[C@H]3C2)cc1 ZINC000248334712 139160316 /nfs/dbraw/zinc/16/03/16/139160316.db2.gz GFRKVAIMCBZITF-INIZCTEOSA-N 0 0 333.457 1.502 10 30 EDEERN CC(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCN(C)[C@H](C#N)C1 ZINC000333045294 249934835 /nfs/dbraw/zinc/93/48/35/249934835.db2.gz BEKYOZPORXWLRM-ZNMIVQPWSA-N 0 0 332.452 1.818 10 30 EDEERN COc1cc(OC)c2c(c1)OC1(CCN(C(=O)CC#N)CC1)CC2=O ZINC000170512806 226624583 /nfs/dbraw/zinc/62/45/83/226624583.db2.gz ULWHDNXRSKWJEO-UHFFFAOYSA-N 0 0 344.367 1.944 10 30 EDEERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cccc(C)c3C#N)CCO2)[nH]1 ZINC000123109510 222217546 /nfs/dbraw/zinc/21/75/46/222217546.db2.gz FLCQIVBBXULDKE-ZDUSSCGKSA-N 0 0 347.400 1.055 10 30 EDEERN N#Cc1ccc(OC2CN(C(=O)N[C@@H]3CCCS(=O)(=O)C3)C2)cc1 ZINC000329667601 268168085 /nfs/dbraw/zinc/16/80/85/268168085.db2.gz QQJBFAIVGIVDLP-CYBMUJFWSA-N 0 0 349.412 1.112 10 30 EDEERN N#Cc1cccc(CNC(=O)[C@H](Cc2ccccc2)n2cnnn2)c1 ZINC000045406428 440981861 /nfs/dbraw/zinc/98/18/61/440981861.db2.gz MHDSSNRQTALYNO-KRWDZBQOSA-N 0 0 332.367 1.645 10 30 EDEERN CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)NCC[NH2+]CCO ZINC000071973578 441201976 /nfs/dbraw/zinc/20/19/76/441201976.db2.gz JYDMLRGEGPXTJO-UHFFFAOYSA-N 0 0 346.428 1.178 10 30 EDEERN N#Cc1ccccc1NC(=O)CCN1CCO[C@H](Cn2cccn2)C1 ZINC000106191065 441328319 /nfs/dbraw/zinc/32/83/19/441328319.db2.gz GJIRRNOFECFBNB-INIZCTEOSA-N 0 0 339.399 1.484 10 30 EDEERN N#Cc1ccc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000105888968 441307779 /nfs/dbraw/zinc/30/77/79/441307779.db2.gz YGFYNSLKBMEQFQ-MRXNPFEDSA-N 0 0 325.372 1.094 10 30 EDEERN C[C@H](NC(N)=O)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000121443261 441706385 /nfs/dbraw/zinc/70/63/85/441706385.db2.gz NMBJLCBAGPAATO-VIFPVBQESA-N 0 0 329.385 1.601 10 30 EDEERN Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121713289 441765097 /nfs/dbraw/zinc/76/50/97/441765097.db2.gz NXAHJFJWIPGONW-LBPRGKRZSA-N 0 0 345.428 1.834 10 30 EDEERN C=CCNc1ncc(C(=O)N2CCOC[C@H]2c2nc(C)no2)s1 ZINC000121731846 441767915 /nfs/dbraw/zinc/76/79/15/441767915.db2.gz WZEPTPBSBMROKQ-JTQLQIEISA-N 0 0 335.389 1.646 10 30 EDEERN Cc1nnc([C@@H]2CN(CCC(=O)Nc3cccc(C#N)c3)CCO2)[nH]1 ZINC000173656003 441816029 /nfs/dbraw/zinc/81/60/29/441816029.db2.gz LZDCNGGJXGHPQH-HNNXBMFYSA-N 0 0 340.387 1.387 10 30 EDEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000162033775 442057879 /nfs/dbraw/zinc/05/78/79/442057879.db2.gz WGHONTKGTQXNHY-INIZCTEOSA-N 0 0 343.427 1.649 10 30 EDEERN C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000175663466 442101846 /nfs/dbraw/zinc/10/18/46/442101846.db2.gz XQDARPHKKZIFLX-WMLDXEAASA-N 0 0 328.416 1.420 10 30 EDEERN C=CCCOCCNC(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000179379983 442636723 /nfs/dbraw/zinc/63/67/23/442636723.db2.gz GUFGWPMCEHZNOK-AWEZNQCLSA-N 0 0 349.435 1.116 10 30 EDEERN C=CCCC[C@@H](C)NC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000181116817 442681171 /nfs/dbraw/zinc/68/11/71/442681171.db2.gz UTMWGALGABXSMA-CQSZACIVSA-N 0 0 343.435 1.701 10 30 EDEERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N(CCC#N)CCC#N ZINC000193970857 442821379 /nfs/dbraw/zinc/82/13/79/442821379.db2.gz CZFIFNMEMXZXNM-JYJNAYRXSA-N 0 0 346.431 1.448 10 30 EDEERN CCCCCCCS(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000249512597 442980310 /nfs/dbraw/zinc/98/03/10/442980310.db2.gz IMRXMAZUUAWVAT-CVEARBPZSA-N 0 0 332.510 1.939 10 30 EDEERN CCn1cc([C@H]2CN(CC(=O)Nc3cccc(C#N)c3)CCO2)cn1 ZINC000190816975 443188712 /nfs/dbraw/zinc/18/87/12/443188712.db2.gz HQRINBOTQWBVMK-QGZVFWFLSA-N 0 0 339.399 1.787 10 30 EDEERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185470618 443204742 /nfs/dbraw/zinc/20/47/42/443204742.db2.gz UYAPJTWFJRKZSC-NSHDSACASA-N 0 0 326.360 1.238 10 30 EDEERN NC(=O)c1noc([C@H]2CCCN2CC(=O)NCc2ccccc2)n1 ZINC000328623288 444398321 /nfs/dbraw/zinc/39/83/21/444398321.db2.gz BWBBGUUEMIJUSN-GFCCVEGCSA-N 0 0 329.360 1.462 10 30 EDEERN N#Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000583616364 448442635 /nfs/dbraw/zinc/44/26/35/448442635.db2.gz IZBZWTOIGYJZGA-BZUAXINKSA-N 0 0 336.413 1.109 10 30 EDEERN N#C[C@]1(NS(=O)(=O)c2ccc(Br)cc2)CCCOC1 ZINC000584643730 448588709 /nfs/dbraw/zinc/58/87/09/448588709.db2.gz IKECNTSHEWBIOY-GFCCVEGCSA-N 0 0 345.218 1.800 10 30 EDEERN Cc1cc(N2CCC[C@H](NC(=O)NCCCCC#N)C2=O)n(C)n1 ZINC000176389718 533895238 /nfs/dbraw/zinc/89/52/38/533895238.db2.gz ALRCMWHZTYCGRV-ZDUSSCGKSA-N 0 0 332.408 1.217 10 30 EDEERN N#CCOc1ccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000174660310 534694637 /nfs/dbraw/zinc/69/46/37/534694637.db2.gz FGOPMFLYRSLFPT-OAHLLOKOSA-N 0 0 340.387 1.727 10 30 EDEERN O=S(=O)(NC[C@H]1CCCCS1)c1cccc(C#CCO)c1 ZINC000156570730 534867875 /nfs/dbraw/zinc/86/78/75/534867875.db2.gz SEYKYXSIABTZKI-CQSZACIVSA-N 0 0 325.455 1.594 10 30 EDEERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 ZINC000154849668 526846795 /nfs/dbraw/zinc/84/67/95/526846795.db2.gz HIYNMARYOFYRMV-GFCCVEGCSA-N 0 0 348.790 1.277 10 30 EDEERN C=CCSCCNC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000111844274 526989065 /nfs/dbraw/zinc/98/90/65/526989065.db2.gz RZDTYUYLSQYJEI-LBPRGKRZSA-N 0 0 339.465 1.685 10 30 EDEERN N#Cc1ccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1 ZINC000818187306 593679804 /nfs/dbraw/zinc/67/98/04/593679804.db2.gz FZMKQMIZWMLPIB-KRWDZBQOSA-N 0 0 328.372 1.981 10 30 EDEERN Cc1c(C(=O)Nc2cccc(C#N)c2)cnn1[C@H]1CCS(=O)(=O)C1 ZINC000049658566 214025503 /nfs/dbraw/zinc/02/55/03/214025503.db2.gz GSUYREAUADVGDO-AWEZNQCLSA-N 0 0 344.396 1.675 10 30 EDEERN Cc1nccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000177973915 232046330 /nfs/dbraw/zinc/04/63/30/232046330.db2.gz AXOBZHODGOHINL-MRXNPFEDSA-N 0 0 337.383 1.693 10 30 EDEERN NC(=S)N/N=C1/c2ccccc2N(CCOc2ccccc2)C1=O ZINC000102433992 219203182 /nfs/dbraw/zinc/20/31/82/219203182.db2.gz PQTRHPOHEIPHPE-CYVLTUHYSA-N 0 0 340.408 1.650 10 30 EDEERN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)N2CCOCC2)CC1 ZINC000041258048 213436465 /nfs/dbraw/zinc/43/64/65/213436465.db2.gz ZGHGNMCUXVUICM-MRXNPFEDSA-N 0 0 332.379 1.460 10 30 EDEERN C[C@@H](C#N)CN(C)S(=O)(=O)c1cc(Br)ccc1N ZINC000040335161 213291999 /nfs/dbraw/zinc/29/19/99/213291999.db2.gz GGZSKAASDRBUFI-QMMMGPOBSA-N 0 0 332.223 1.811 10 30 EDEERN COC(=O)c1sccc1S(=O)(=O)N/N=C/c1ccc(C#N)cc1 ZINC000038817714 213226309 /nfs/dbraw/zinc/22/63/09/213226309.db2.gz ZKJFOEZXXCOQFT-CXUHLZMHSA-N 0 0 349.393 1.719 10 30 EDEERN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)n1 ZINC000091244626 138283624 /nfs/dbraw/zinc/28/36/24/138283624.db2.gz WDYNBTZZYKNQQN-DGCLKSJQSA-N 0 0 347.419 1.116 10 30 EDEERN N#Cc1ccc(S(=O)(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000176882996 138714424 /nfs/dbraw/zinc/71/44/24/138714424.db2.gz RJIUJOIJBJLQMY-GJZGRUSLSA-N 0 0 344.392 1.283 10 30 EDEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cccc(OCC#N)c1 ZINC000089775174 237004049 /nfs/dbraw/zinc/00/40/49/237004049.db2.gz DUUDKOKMFOCJIE-OAHLLOKOSA-N 0 0 325.372 1.683 10 30 EDEERN N#CCN(CC#N)S(=O)(=O)c1ccc(Br)cc1N ZINC000037063516 213132968 /nfs/dbraw/zinc/13/29/68/213132968.db2.gz BRWRWOVMVWEMFW-UHFFFAOYSA-N 0 0 329.179 1.069 10 30 EDEERN C=CCC[C@@H](CN(C)CC(=O)N(C)C)Oc1ncc(C)c(N(C)C)n1 ZINC000072422875 216211861 /nfs/dbraw/zinc/21/18/61/216211861.db2.gz UPODMYLXRFKFCP-HNNXBMFYSA-N 0 0 349.479 1.585 10 30 EDEERN C=CCC[C@H](CN(C)CC(=O)N(C)C)Oc1nccc(N(C)CC)n1 ZINC000072431267 216224050 /nfs/dbraw/zinc/22/40/50/216224050.db2.gz OXXNUDJQALTZPP-OAHLLOKOSA-N 0 0 349.479 1.666 10 30 EDEERN [NH2+]=C(NC1=NC(c2ccccc2)(c2ccccc2)C(=O)[N-]1)N1CCCC1 ZINC000196053374 241035863 /nfs/dbraw/zinc/03/58/63/241035863.db2.gz RTXAUZULUIECPD-UHFFFAOYSA-N 0 0 347.422 1.827 10 30 EDEERN C=CCCCN(C)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000076650743 216802338 /nfs/dbraw/zinc/80/23/38/216802338.db2.gz JTNYHGKCXXSGQE-LBPRGKRZSA-N 0 0 335.429 1.538 10 30 EDEERN N#CCCNC(=O)CN1C(=O)C(=O)c2c1cccc2Br ZINC000019966762 212091771 /nfs/dbraw/zinc/09/17/71/212091771.db2.gz CCLLEMWMJSXIQX-UHFFFAOYSA-N 0 0 336.145 1.008 10 30 EDEERN Cc1oc(NC(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c(C#N)c1C ZINC000246391457 139106735 /nfs/dbraw/zinc/10/67/35/139106735.db2.gz IWZLBBCHZCBLNG-LRDDRELGSA-N 0 0 346.431 1.359 10 30 EDEERN C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1N1CCOCC1 ZINC000246447267 139108781 /nfs/dbraw/zinc/10/87/81/139108781.db2.gz IHOGWKJRIWOPOJ-RHSMWYFYSA-N 0 0 349.456 1.041 10 30 EDEERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)CCCCC#N ZINC000245905283 249305111 /nfs/dbraw/zinc/30/51/11/249305111.db2.gz MOOYHWOHINQAQF-MJBXVCDLSA-N 0 0 328.434 1.816 10 30 EDEERN COCCNC(=O)[C@@H](C)Nc1cccc(Br)c1C#N ZINC000168593218 533008110 /nfs/dbraw/zinc/00/81/10/533008110.db2.gz VSOFCUQPTKQFOI-SECBINFHSA-N 0 0 326.194 1.884 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)CC2 ZINC000114862987 220769049 /nfs/dbraw/zinc/76/90/49/220769049.db2.gz QOEXOGMBNVZZLS-JSGCOSHPSA-N 0 0 339.399 1.611 10 30 EDEERN COCCN1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1C ZINC000117292644 221045499 /nfs/dbraw/zinc/04/54/99/221045499.db2.gz JXDKGHOKHLHODN-HNNXBMFYSA-N 0 0 347.484 1.971 10 30 EDEERN CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000117521450 221073154 /nfs/dbraw/zinc/07/31/54/221073154.db2.gz PODDXFZXSIGADD-CQSZACIVSA-N 0 0 344.415 1.066 10 30 EDEERN Cc1ccc(S(=O)(=O)NC[C@H]2CCCS2)c(C#CCO)c1 ZINC000155940744 224500773 /nfs/dbraw/zinc/50/07/73/224500773.db2.gz LGBZLHLHDBZYHD-CQSZACIVSA-N 0 0 325.455 1.513 10 30 EDEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(C#N)cc1 ZINC000177906689 533284250 /nfs/dbraw/zinc/28/42/50/533284250.db2.gz ZPWPWCLRUZSKJW-AWEZNQCLSA-N 0 0 340.387 1.630 10 30 EDEERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000190983471 287180664 /nfs/dbraw/zinc/18/06/64/287180664.db2.gz FEGRSLXMGFOBGS-SECBINFHSA-N 0 0 327.793 1.111 10 30 EDEERN COCCN1C[C@@H](C(=O)Nc2oc(C)c(C(C)=O)c2C#N)CC1=O ZINC000170500670 226624307 /nfs/dbraw/zinc/62/43/07/226624307.db2.gz PMIQJOVQBYKCHW-NSHDSACASA-N 0 0 333.344 1.096 10 30 EDEERN O=C(ON1C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@H]2C1=O)c1ccc(Cl)s1 ZINC000001038851 440837628 /nfs/dbraw/zinc/83/76/28/440837628.db2.gz HMYMMJGRMMPDQY-YUMGAWCOSA-N 0 0 325.729 1.412 10 30 EDEERN CSc1nc(N)nc(SCC(=O)Nc2nccs2)c1C#N ZINC000005515305 440958296 /nfs/dbraw/zinc/95/82/96/440958296.db2.gz MKVLMRMKUVWVEX-UHFFFAOYSA-N 0 0 338.443 1.840 10 30 EDEERN CCn1cnnc1C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000106368376 441334414 /nfs/dbraw/zinc/33/44/14/441334414.db2.gz AWIYLYRBOYGTOX-UHFFFAOYSA-N 0 0 345.428 1.738 10 30 EDEERN C=CCN(CC=C)C(=O)CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000105893106 441310073 /nfs/dbraw/zinc/31/00/73/441310073.db2.gz CMTTTZAFUGPROE-KRWDZBQOSA-N 0 0 332.448 1.401 10 30 EDEERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C#N)cc2)ncn1 ZINC000173407939 441737842 /nfs/dbraw/zinc/73/78/42/441737842.db2.gz UJDKTMOTMWDRFQ-OAHLLOKOSA-N 0 0 336.399 1.789 10 30 EDEERN C#CCOc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000120493343 442082622 /nfs/dbraw/zinc/08/26/22/442082622.db2.gz IVKUBPASYWXIMC-UHFFFAOYSA-N 0 0 348.410 1.459 10 30 EDEERN N#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000177518808 442352512 /nfs/dbraw/zinc/35/25/12/442352512.db2.gz NEDXYZALNMDLMU-CYBMUJFWSA-N 0 0 342.380 1.553 10 30 EDEERN N#Cc1ccc2c(c1)[C@@H](c1ccc(CN3CCOCC3)cn1)C(=O)N2 ZINC000136032345 442647433 /nfs/dbraw/zinc/64/74/33/442647433.db2.gz RDXUCTYBYOIJGA-SFHVURJKSA-N 0 0 334.379 1.869 10 30 EDEERN N#Cc1cc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)ccn1 ZINC000193173452 442719870 /nfs/dbraw/zinc/71/98/70/442719870.db2.gz VFPCEFQEUOYENV-GOSISDBHSA-N 0 0 336.395 1.445 10 30 EDEERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000188194643 442722959 /nfs/dbraw/zinc/72/29/59/442722959.db2.gz PXIONMCZVHROEK-CQSZACIVSA-N 0 0 342.804 1.928 10 30 EDEERN C[C@@H](C#N)CNC(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000182825887 442830976 /nfs/dbraw/zinc/83/09/76/442830976.db2.gz GNUROCLDEZBZIX-AWEZNQCLSA-N 0 0 332.452 1.625 10 30 EDEERN Cc1cnn(CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000184632706 443052773 /nfs/dbraw/zinc/05/27/73/443052773.db2.gz NPXBNKRUGVHRAE-UHFFFAOYSA-N 0 0 336.359 1.466 10 30 EDEERN C=CC[C@@H](CO)NC(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000185799338 443260156 /nfs/dbraw/zinc/26/01/56/443260156.db2.gz VXWGDXKIXOKEOA-XHDPSFHLSA-N 0 0 340.370 1.772 10 30 EDEERN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000185834982 443266557 /nfs/dbraw/zinc/26/65/57/443266557.db2.gz PWSOOSWXPXUOID-GFCCVEGCSA-N 0 0 347.400 1.280 10 30 EDEERN N#Cc1cccc(OCCCN2CCC[C@@H]2c2nc(C(N)=O)no2)c1 ZINC000328645662 444411829 /nfs/dbraw/zinc/41/18/29/444411829.db2.gz SGAGFPIAZHHBKD-CQSZACIVSA-N 0 0 341.371 1.646 10 30 EDEERN Cc1cccn(CC(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)c1=O ZINC000328656540 444417048 /nfs/dbraw/zinc/41/70/48/444417048.db2.gz ZKWLHIZBTTUHIX-ZDUSSCGKSA-N 0 0 343.387 1.278 10 30 EDEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000888077683 590933951 /nfs/dbraw/zinc/93/39/51/590933951.db2.gz PBGBTQSFOSGELW-HUUCEWRRSA-N 0 0 345.447 1.856 10 30 EDEERN CCN(CCC#N)C(=O)CN1C[C@H](OC)C[C@H]1c1nc(C)c(C)[nH]1 ZINC000888102965 591031451 /nfs/dbraw/zinc/03/14/51/591031451.db2.gz WZYFVBFLXSQZPW-CABCVRRESA-N 0 0 333.436 1.551 10 30 EDEERN CN(C)c1nc([C@H]2CCN(c3ncc(C#N)cc3F)C2)cc(=O)[nH]1 ZINC000864312788 596831390 /nfs/dbraw/zinc/83/13/90/596831390.db2.gz LMKCOCCFRRBFDL-NSHDSACASA-N 0 0 328.351 1.648 10 30 EDEERN N#Cc1ccc(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000130268351 598077221 /nfs/dbraw/zinc/07/72/21/598077221.db2.gz KJRYRFQDHJUZSK-JKSUJKDBSA-N 0 0 341.323 1.291 10 30 EDEERN C[C@@H](CC#N)N(C)S(=O)(=O)c1cc(Br)ccc1N ZINC000063086282 214742661 /nfs/dbraw/zinc/74/26/61/214742661.db2.gz GZHKFJDVSFVHQJ-QMMMGPOBSA-N 0 0 332.223 1.954 10 30 EDEERN CCN1c2ccccc2/C(=N/NC(=S)NC[C@H]2CCCO2)C1=O ZINC000100563815 219101976 /nfs/dbraw/zinc/10/19/76/219101976.db2.gz DHLPWGALVNLWRQ-GMVXBXSFSA-N 0 0 332.429 1.400 10 30 EDEERN Cn1cc([C@@H]2[C@@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2C)cn1 ZINC000115203046 282674831 /nfs/dbraw/zinc/67/48/31/282674831.db2.gz SUELIMGEBHDOKC-DOTOQJQBSA-N 0 0 337.383 1.840 10 30 EDEERN C=CCNC(=O)Cn1c(CCNC(=O)C(C)C)nc2ccccc21 ZINC000040299157 213290304 /nfs/dbraw/zinc/29/03/04/213290304.db2.gz ARQPBCAXYLOTLH-UHFFFAOYSA-N 0 0 328.416 1.653 10 30 EDEERN C=CCN(CC=C)C(=O)Cn1c(CNC(C)=O)nc2ccccc21 ZINC000040274296 213287202 /nfs/dbraw/zinc/28/72/02/213287202.db2.gz ZOSKKHHMDDGPSV-UHFFFAOYSA-N 0 0 326.400 1.873 10 30 EDEERN Cc1ccc(NCc2nc3c(c(=O)[nH]c(=O)n3C)n2CCC#N)cc1 ZINC000036075873 213059253 /nfs/dbraw/zinc/05/92/53/213059253.db2.gz KGLSULHOEGPEER-UHFFFAOYSA-N 0 0 338.371 1.258 10 30 EDEERN CCc1noc([C@H](C)N2CCN(CC(=O)N(CC)CCC#N)CC2)n1 ZINC000105865399 237067093 /nfs/dbraw/zinc/06/70/93/237067093.db2.gz JCXBPQCXAAAASS-AWEZNQCLSA-N 0 0 348.451 1.073 10 30 EDEERN N#Cc1cccc(COc2cccc([C@@H]3NC(=O)[C@@H]4COCCN34)c2)c1 ZINC000093885394 218255223 /nfs/dbraw/zinc/25/52/23/218255223.db2.gz YQSHWFLYRVVVQQ-RBUKOAKNSA-N 0 0 349.390 1.966 10 30 EDEERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000171377857 533543317 /nfs/dbraw/zinc/54/33/17/533543317.db2.gz SKDQIIUQUFPLJB-GJZGRUSLSA-N 0 0 327.384 1.406 10 30 EDEERN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H](C)[C@H](O)C3)CC2)o1 ZINC000328720562 140672419 /nfs/dbraw/zinc/67/24/19/140672419.db2.gz GUVSWVCVSDQZBF-IAQYHMDHSA-N 0 0 332.404 1.300 10 30 EDEERN C[C@H](C(=O)Nc1ccc(Cl)cc1C#CCCO)S(C)(=O)=O ZINC000168865742 226224996 /nfs/dbraw/zinc/22/49/96/226224996.db2.gz FDOWZFCYJYIXHV-SNVBAGLBSA-N 0 0 329.805 1.446 10 30 EDEERN N#CCC(=O)Nc1nnc(CN2C(=O)c3ccccc3C2=O)s1 ZINC000170520153 226625335 /nfs/dbraw/zinc/62/53/35/226625335.db2.gz PRCSJYPBZIFJFA-UHFFFAOYSA-N 0 0 327.325 1.186 10 30 EDEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123167992 222227611 /nfs/dbraw/zinc/22/76/11/222227611.db2.gz XZMGZBXXLAYMME-HNAYVOBHSA-N 0 0 341.411 1.959 10 30 EDEERN C[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCS1(=O)=O ZINC000160746542 278799533 /nfs/dbraw/zinc/79/95/33/278799533.db2.gz OOEXQBFCAZXLJF-SNVBAGLBSA-N 0 0 346.368 1.638 10 30 EDEERN COC(=O)c1cc(/C=N/NC(=S)N[C@H]2C[C@@H]3C=C[C@H]2C3)cn1C ZINC000000112844 440799149 /nfs/dbraw/zinc/79/91/49/440799149.db2.gz ODOIFLMMVCMXRY-MBTCQEFRSA-N 0 0 332.429 1.574 10 30 EDEERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)CCCCC#N)CCO2)n1 ZINC000111345606 441534545 /nfs/dbraw/zinc/53/45/45/441534545.db2.gz DGDAUFOYHYFLCN-HNNXBMFYSA-N 0 0 340.449 1.224 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cc1Cl ZINC000113298692 441600016 /nfs/dbraw/zinc/60/00/16/441600016.db2.gz YKEQOUPVJOIAPH-SNVBAGLBSA-N 0 0 337.792 1.096 10 30 EDEERN Cn1nccc1/C=C/C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000114311855 441644377 /nfs/dbraw/zinc/64/43/77/441644377.db2.gz TUFXLMIEPYHMEN-LKGOPFMKSA-N 0 0 335.411 1.670 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccccc1OCC#N)CC2 ZINC000114869673 441693733 /nfs/dbraw/zinc/69/37/33/441693733.db2.gz NXGCCKWSJHICHI-LBPRGKRZSA-N 0 0 325.372 1.488 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)CC2 ZINC000114874489 441694605 /nfs/dbraw/zinc/69/46/05/441694605.db2.gz LVADXYDNYKEZDK-AWEZNQCLSA-N 0 0 345.428 1.147 10 30 EDEERN Cc1nnc([C@@H]2CN(C(=O)CSc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000173519557 441776665 /nfs/dbraw/zinc/77/66/65/441776665.db2.gz FYYFUYQTKMZZKL-AWEZNQCLSA-N 0 0 343.412 1.677 10 30 EDEERN CCOc1ccnc(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000175584971 442089765 /nfs/dbraw/zinc/08/97/65/442089765.db2.gz IHZXVSUEEUHWLR-UHFFFAOYSA-N 0 0 326.360 1.037 10 30 EDEERN CCN1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000194661666 442934206 /nfs/dbraw/zinc/93/42/06/442934206.db2.gz WRBZVHSFFCZNRC-MRXNPFEDSA-N 0 0 349.456 1.074 10 30 EDEERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000183748592 442959614 /nfs/dbraw/zinc/95/96/14/442959614.db2.gz VWAMEPKRIRPSPM-ZDUSSCGKSA-N 0 0 334.357 1.012 10 30 EDEERN N#Cc1cccnc1-n1cc(NC(=O)NC[C@H]2CCCC[C@H]2O)cn1 ZINC000184648946 443054388 /nfs/dbraw/zinc/05/43/88/443054388.db2.gz CLCKEMPWTZOFCC-UKRRQHHQSA-N 0 0 340.387 1.812 10 30 EDEERN CCc1nnc2n1CCN(C1CN(C(=O)NC[C@H](C)SC)C1)C2 ZINC000328633512 444404323 /nfs/dbraw/zinc/40/43/23/444404323.db2.gz MCSKQOKDSCVFPD-NSHDSACASA-N 0 0 338.481 1.006 10 30 EDEERN CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)c1cnc(C#N)cn1 ZINC000328639052 444407958 /nfs/dbraw/zinc/40/79/58/444407958.db2.gz PJWOGTPGGUIIPK-ZFWWWQNUSA-N 0 0 327.367 1.187 10 30 EDEERN Cc1nnc([C@H]2CN(C(=O)[C@H](C)Oc3cccc(C#N)c3)CCO2)o1 ZINC000328610355 444392268 /nfs/dbraw/zinc/39/22/68/444392268.db2.gz HJBAGXDCDQNQQQ-XHDPSFHLSA-N 0 0 342.355 1.617 10 30 EDEERN Cn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(C#N)c1 ZINC000595343541 450056103 /nfs/dbraw/zinc/05/61/03/450056103.db2.gz HUPWCESNUNJTOZ-DZGCQCFKSA-N 0 0 346.412 1.348 10 30 EDEERN CC(=O)NC1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000189746430 526707140 /nfs/dbraw/zinc/70/71/40/526707140.db2.gz GUESMQVPGUSINJ-UHFFFAOYSA-N 0 0 339.317 1.587 10 30 EDEERN CC(=O)N[C@@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000173793551 526850524 /nfs/dbraw/zinc/85/05/24/526850524.db2.gz WEUJYTVTOSKJLM-OAHLLOKOSA-N 0 0 330.388 1.247 10 30 EDEERN C=CCN(CC)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1 ZINC000165779286 527592829 /nfs/dbraw/zinc/59/28/29/527592829.db2.gz ZUTXRBVRYKJOOQ-UHFFFAOYSA-N 0 0 347.234 1.745 10 30 EDEERN CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)nc2)no1 ZINC000173723670 528308772 /nfs/dbraw/zinc/30/87/72/528308772.db2.gz TYQCIMKTZUIPQD-ZDUSSCGKSA-N 0 0 347.400 1.985 10 30 EDEERN CC[C@H]1CN(S(=O)(=O)c2ccc(C#CCO)cc2)CCS1 ZINC000157984814 529299881 /nfs/dbraw/zinc/29/98/81/529299881.db2.gz YWZULAQDMOAKKZ-AWEZNQCLSA-N 0 0 325.455 1.547 10 30 EDEERN CC(C)[C@H](O)CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000191059002 535144646 /nfs/dbraw/zinc/14/46/46/535144646.db2.gz UDTOOWVTOMYHHA-JKSUJKDBSA-N 0 0 329.400 1.182 10 30 EDEERN C=CCn1c(C)nn(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1=S ZINC000112071634 596016651 /nfs/dbraw/zinc/01/66/51/596016651.db2.gz RTISHWKZRQRYJM-HNNXBMFYSA-N 0 0 348.476 1.772 10 30 EDEERN C=CCNC(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000117022026 596217581 /nfs/dbraw/zinc/21/75/81/596217581.db2.gz GJWGIWQILVECLA-UHFFFAOYSA-N 0 0 325.844 1.649 10 30 EDEERN N#Cc1cc(NS(=O)(=O)C2CCS(=O)(=O)CC2)ccc1F ZINC000051637919 214098629 /nfs/dbraw/zinc/09/86/29/214098629.db2.gz IWIDULOVWJHFSH-UHFFFAOYSA-N 0 0 332.378 1.016 10 30 EDEERN C[C@H](CNS(=O)(=O)c1ccccc1Br)/C(N)=N/O ZINC000054156148 214220297 /nfs/dbraw/zinc/22/02/97/214220297.db2.gz VSVMTDYCPRCUOE-SSDOTTSWSA-N 0 0 336.211 1.110 10 30 EDEERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc(F)cc3C#N)CCO2)[nH]1 ZINC000152914262 529700317 /nfs/dbraw/zinc/70/03/17/529700317.db2.gz MYXYWROSJQZBOH-ZDUSSCGKSA-N 0 0 344.350 1.983 10 30 EDEERN CN1C(=O)C[C@H](C(=O)N2CCN(CC#N)CC2)[C@@H]1c1ccc(F)cc1 ZINC000135361938 530044833 /nfs/dbraw/zinc/04/48/33/530044833.db2.gz MJCCBIXAVUAZQA-RDJZCZTQSA-N 0 0 344.390 1.013 10 30 EDEERN Cc1ccc(S(=O)(=O)NCc2cc(C#CCO)cs2)s1 ZINC000071323113 215760487 /nfs/dbraw/zinc/76/04/87/215760487.db2.gz JCFWMUFOVNEOJC-UHFFFAOYSA-N 0 0 327.452 1.940 10 30 EDEERN C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CCCO1 ZINC000192585715 296034612 /nfs/dbraw/zinc/03/46/12/296034612.db2.gz CCCRPJLUQDYPTH-DGCLKSJQSA-N 0 0 332.404 1.737 10 30 EDEERN CC[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CCN1C[C@H](C)O ZINC000246717882 139118574 /nfs/dbraw/zinc/11/85/74/139118574.db2.gz DJPWFJJHTGGAGZ-HOCLYGCPSA-N 0 0 347.484 1.954 10 30 EDEERN Cc1ccc(N2CCCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)nn1 ZINC000247031718 249313925 /nfs/dbraw/zinc/31/39/25/249313925.db2.gz DFWDIZVMSKLEEQ-GOSISDBHSA-N 0 0 344.463 1.352 10 30 EDEERN CCc1nn(C)cc1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000329019633 249807307 /nfs/dbraw/zinc/80/73/07/249807307.db2.gz LLSFEIHACCKXJB-WBMJQRKESA-N 0 0 344.419 1.392 10 30 EDEERN C=CCNC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl ZINC000012024024 211281498 /nfs/dbraw/zinc/28/14/98/211281498.db2.gz LFGOLHJPYIBQOF-SECBINFHSA-N 0 0 342.804 1.568 10 30 EDEERN C=CCc1c(=O)[nH]c(=O)n(COCCO)c1Sc1ccccc1 ZINC000005852948 210549042 /nfs/dbraw/zinc/54/90/42/210549042.db2.gz DCWJSTOOWZNPLD-UHFFFAOYSA-N 0 0 334.397 1.383 10 30 EDEERN N#Cc1cc(F)ccc1CN1CCC[C@H](c2n[nH]cc2C(N)=O)C1 ZINC000372278803 156307654 /nfs/dbraw/zinc/30/76/54/156307654.db2.gz UNTCIFOTUNOVIU-LBPRGKRZSA-N 0 0 327.363 1.899 10 30 EDEERN COC[C@H](C)NC(=O)COc1ccc(Br)cc1C#N ZINC000157856145 224901139 /nfs/dbraw/zinc/90/11/39/224901139.db2.gz ZWYQDVPWTWXSGC-VIFPVBQESA-N 0 0 327.178 1.851 10 30 EDEERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(F)c(C#N)c2)cn1 ZINC000171397928 227061288 /nfs/dbraw/zinc/06/12/88/227061288.db2.gz IZAUYESAJRAOQB-OAHLLOKOSA-N 0 0 341.346 1.733 10 30 EDEERN CCc1nnc([C@H]2CN(S(=O)(=O)c3ccccc3C#N)CCO2)[nH]1 ZINC000123112446 222218906 /nfs/dbraw/zinc/21/89/06/222218906.db2.gz WIHAVEFSBPHAQZ-GFCCVEGCSA-N 0 0 347.400 1.001 10 30 EDEERN N#Cc1ccsc1NC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105804605 441274669 /nfs/dbraw/zinc/27/46/69/441274669.db2.gz ULKSOHPRQVNODO-UHFFFAOYSA-N 0 0 342.428 1.925 10 30 EDEERN CC(=O)N[C@H]1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000077170042 441727274 /nfs/dbraw/zinc/72/72/74/441727274.db2.gz DUGLHLFRAHGNQY-VOLNDZDFSA-N 0 0 348.491 1.906 10 30 EDEERN C[C@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCS1(=O)=O ZINC000160746669 441916914 /nfs/dbraw/zinc/91/69/14/441916914.db2.gz OOEXQBFCAZXLJF-JTQLQIEISA-N 0 0 346.368 1.638 10 30 EDEERN Cc1nnc([C@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)[nH]1 ZINC000175365419 442049689 /nfs/dbraw/zinc/04/96/89/442049689.db2.gz UVFYXUGQCMCNCT-CQSZACIVSA-N 0 0 326.360 1.268 10 30 EDEERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(C)c1C#N ZINC000126124565 442080705 /nfs/dbraw/zinc/08/07/05/442080705.db2.gz NNRNEFYRHATAAX-ZDUSSCGKSA-N 0 0 345.428 1.834 10 30 EDEERN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H]2C[C@H]2C)c1C ZINC000152231788 442185002 /nfs/dbraw/zinc/18/50/02/442185002.db2.gz GZXUDRXZNLQQIE-BMIGLBTASA-N 0 0 337.383 1.824 10 30 EDEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000155811948 442429204 /nfs/dbraw/zinc/42/92/04/442429204.db2.gz GNGZVKRMQWRRMC-DOMZBBRYSA-N 0 0 338.429 1.999 10 30 EDEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000178466049 442436591 /nfs/dbraw/zinc/43/65/91/442436591.db2.gz BSJZLNXOMNAPKW-INIZCTEOSA-N 0 0 337.383 1.902 10 30 EDEERN COCCN1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@H]1C ZINC000247224571 442841959 /nfs/dbraw/zinc/84/19/59/442841959.db2.gz VUZAXZCAVGERNS-CABCVRRESA-N 0 0 331.416 1.505 10 30 EDEERN CCn1cc([C@@H]2CN(CC(=O)N[C@](C)(C#N)C(C)C)CCO2)cn1 ZINC000248806083 442927484 /nfs/dbraw/zinc/92/74/84/442927484.db2.gz RGVZWPRRFFLDBZ-DOTOQJQBSA-N 0 0 333.436 1.331 10 30 EDEERN COc1ccc(NC(=O)CON=C2CCCc3nonc32)cc1OC ZINC000254736836 443077169 /nfs/dbraw/zinc/07/71/69/443077169.db2.gz GZWABZSCWVEXKO-UHFFFAOYSA-N 0 0 346.343 1.783 10 30 EDEERN Cc1ccc(C)c(-n2nc(C#N)c(N(C)[C@H]3CCS(=O)(=O)C3)n2)c1 ZINC000256048922 443115883 /nfs/dbraw/zinc/11/58/83/443115883.db2.gz XBHYAYYOJHTMMU-ZDUSSCGKSA-N 0 0 345.428 1.379 10 30 EDEERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2oc(C)c(C)c2C#N)n1 ZINC000185074803 443130696 /nfs/dbraw/zinc/13/06/96/443130696.db2.gz ROUGQNAORXZMRZ-ZDUSSCGKSA-N 0 0 345.359 1.472 10 30 EDEERN CCn1cc([C@H]2CN(CC(=O)N[C@@](C)(C#N)C(C)C)CCO2)cn1 ZINC000190776664 443181172 /nfs/dbraw/zinc/18/11/72/443181172.db2.gz RGVZWPRRFFLDBZ-WBVHZDCISA-N 0 0 333.436 1.331 10 30 EDEERN COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000185689187 443239088 /nfs/dbraw/zinc/23/90/88/443239088.db2.gz PKVMNJNOSVRLPV-AWEZNQCLSA-N 0 0 346.412 1.617 10 30 EDEERN Cc1cc(N[C@@H]2CCCN(c3nccn(C)c3=O)C2)c(C#N)c(C)n1 ZINC000328636918 444406760 /nfs/dbraw/zinc/40/67/60/444406760.db2.gz VUGJUCZISCDEFP-CQSZACIVSA-N 0 0 338.415 1.167 10 30 EDEERN CCc1nnc2n1CCN(C1CN(C(=O)NCc3ccco3)C1)C2 ZINC000328656728 444417126 /nfs/dbraw/zinc/41/71/26/444417126.db2.gz ZPRUVCQYXUKMDR-UHFFFAOYSA-N 0 0 330.392 1.048 10 30 EDEERN N#Cc1cccc(OCCN2CCC[C@H]2c2nc(C(N)=O)no2)c1 ZINC000328629447 444402569 /nfs/dbraw/zinc/40/25/69/444402569.db2.gz IFVRHFJYWICIEG-ZDUSSCGKSA-N 0 0 327.344 1.256 10 30 EDEERN Cc1nc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c(Cl)cc1C#N ZINC000599115078 449745685 /nfs/dbraw/zinc/74/56/85/449745685.db2.gz SAWBALTUOXUWLD-ZIAGYGMSSA-N 0 0 333.779 1.277 10 30 EDEERN N#Cc1cccc([C@@H]2CNCCN2S(=O)(=O)c2ccccc2)c1 ZINC000616605124 450455319 /nfs/dbraw/zinc/45/53/19/450455319.db2.gz SRNWSYCONWUUBF-KRWDZBQOSA-N 0 0 327.409 1.893 10 30 EDEERN C[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1N1CCOCC1 ZINC000173879539 533836931 /nfs/dbraw/zinc/83/69/31/533836931.db2.gz KYJRRDSSTDNVFG-YJBOKZPZSA-N 0 0 343.427 1.311 10 30 EDEERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000124288942 534578801 /nfs/dbraw/zinc/57/88/01/534578801.db2.gz VKEHJJNGUXVKPA-LLVKDONJSA-N 0 0 343.355 1.126 10 30 EDEERN N#Cc1ccc(F)c(CNC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173897757 534785786 /nfs/dbraw/zinc/78/57/86/534785786.db2.gz XDVRHGYVKCCJLL-HNNXBMFYSA-N 0 0 332.379 1.313 10 30 EDEERN CC#CCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1 ZINC000158597623 526334601 /nfs/dbraw/zinc/33/46/01/526334601.db2.gz HTOHXSPFGMWSRR-UHFFFAOYSA-N 0 0 345.218 1.240 10 30 EDEERN C#CCCCCNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000154874086 526702751 /nfs/dbraw/zinc/70/27/51/526702751.db2.gz DCDKYPNXUMVEJS-LSDHHAIUSA-N 0 0 335.360 1.092 10 30 EDEERN C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000124709039 526828056 /nfs/dbraw/zinc/82/80/56/526828056.db2.gz YMGZGJFLWFJGSH-CQSZACIVSA-N 0 0 334.416 1.711 10 30 EDEERN C#CCn1ncc(NCC(=C)Br)c(Br)c1=O ZINC000167872326 527193725 /nfs/dbraw/zinc/19/37/25/527193725.db2.gz SRKHKUMWQGLIJD-UHFFFAOYSA-N 0 0 347.010 1.960 10 30 EDEERN C=CCN(CC=C)C(=O)CN1CCN(c2nccc(OCC)n2)CC1 ZINC000106153057 527612472 /nfs/dbraw/zinc/61/24/72/527612472.db2.gz VHVAAZDXAQSMNP-UHFFFAOYSA-N 0 0 345.447 1.198 10 30 EDEERN CCOC(CNS(=O)(=O)c1cc(C#N)ccc1Cl)OCC ZINC000167328643 528436528 /nfs/dbraw/zinc/43/65/28/528436528.db2.gz CUCOOKAYYYEJBQ-UHFFFAOYSA-N 0 0 332.809 1.889 10 30 EDEERN N#Cc1cc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)ccn1 ZINC000818147546 593674920 /nfs/dbraw/zinc/67/49/20/593674920.db2.gz XJDJTMWNLRPMLX-QGZVFWFLSA-N 0 0 325.372 1.788 10 30 EDEERN N#C[C@@H](NCCO)c1cc(Br)c2c(c1)OCCCO2 ZINC000053708010 214195338 /nfs/dbraw/zinc/19/53/38/214195338.db2.gz CEBMWASALMTQIV-LLVKDONJSA-N 0 0 327.178 1.757 10 30 EDEERN CCCCCCCCCCCC(=O)OC[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O ZINC000056897713 214394072 /nfs/dbraw/zinc/39/40/72/214394072.db2.gz LWZFANDGMFTDAV-IDCNUPLLSA-N 0 0 346.464 1.932 10 30 in-man EDEERN Cn1cc(CCNS(=O)(=O)c2cccc(C#N)c2)c2cccnc21 ZINC000065163077 214835223 /nfs/dbraw/zinc/83/52/23/214835223.db2.gz VPHZDGDAEFRKNC-UHFFFAOYSA-N 0 0 340.408 1.966 10 30 EDEERN CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)NO)CC(C)C ZINC000003870418 210081594 /nfs/dbraw/zinc/08/15/94/210081594.db2.gz MOPRTFSMCQNUCT-GJZGRUSLSA-N 0 0 349.431 1.018 10 30 EDEERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000106367823 219631893 /nfs/dbraw/zinc/63/18/93/219631893.db2.gz RLYHWMYICALRGO-LBPRGKRZSA-N 0 0 346.416 1.133 10 30 EDEERN C=CCC[C@H](CN(C)CC(=O)N(C)C)Oc1ncc(C)c(N(C)C)n1 ZINC000072422876 216211122 /nfs/dbraw/zinc/21/11/22/216211122.db2.gz UPODMYLXRFKFCP-OAHLLOKOSA-N 0 0 349.479 1.585 10 30 EDEERN CCCCOC[C@H](O)Cn1cc(C)n(-c2ccc(C#N)cc2)c1=O ZINC000193384949 138967953 /nfs/dbraw/zinc/96/79/53/138967953.db2.gz NOUXZGBTXJHUNP-QGZVFWFLSA-N 0 0 329.400 1.997 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000078995484 217169226 /nfs/dbraw/zinc/16/92/26/217169226.db2.gz TWQMNNDFYKUJID-TZMCWYRMSA-N 0 0 348.374 1.444 10 30 EDEERN C=CCOc1ccccc1CNC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112750478 220396788 /nfs/dbraw/zinc/39/67/88/220396788.db2.gz PLOXPDGNSSTPED-AWEZNQCLSA-N 0 0 327.388 1.657 10 30 EDEERN CCOCCN1CCN(S(=O)(=O)CCCCC#N)C[C@@H]1CC ZINC000116898951 221008424 /nfs/dbraw/zinc/00/84/24/221008424.db2.gz RFRCRPRXOLCZEO-HNNXBMFYSA-N 0 0 331.482 1.443 10 30 EDEERN N#Cc1c(Br)cccc1N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000168387685 226212860 /nfs/dbraw/zinc/21/28/60/226212860.db2.gz FSYWTFALGOEAFK-UHFFFAOYSA-N 0 0 338.205 1.917 10 30 EDEERN Cn1ncc(C#N)c1NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000170524629 226625820 /nfs/dbraw/zinc/62/58/20/226625820.db2.gz ICMHUJFUKFXSAS-UHFFFAOYSA-N 0 0 337.339 1.307 10 30 EDEERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000152627981 266063660 /nfs/dbraw/zinc/06/36/60/266063660.db2.gz WVLMANJSVOKBIW-HNNXBMFYSA-N 0 0 346.412 1.573 10 30 EDEERN O=C1Nc2ccc(F)cc2/C1=N/NC(=S)N[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004390378 280303047 /nfs/dbraw/zinc/30/30/47/280303047.db2.gz PKOCLWMNQICPDX-VYUIOLGVSA-N 0 0 330.388 1.911 10 30 EDEERN N#Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1 ZINC000045408747 440981827 /nfs/dbraw/zinc/98/18/27/440981827.db2.gz BNISRLXNJWZSHE-QGZVFWFLSA-N 0 0 332.367 1.645 10 30 EDEERN C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C12CC3CC(CC(C3)C1)C2 ZINC000014206822 441178873 /nfs/dbraw/zinc/17/88/73/441178873.db2.gz DYATYTHPBWOEDW-NZWMYCLXSA-N 0 0 342.443 1.972 10 30 EDEERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000106368042 441334850 /nfs/dbraw/zinc/33/48/50/441334850.db2.gz IERYETRORCURIM-AWEZNQCLSA-N 0 0 345.428 1.738 10 30 EDEERN CCn1cnnc1[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000161334018 441987565 /nfs/dbraw/zinc/98/75/65/441987565.db2.gz YRYAMSSYUUJBEJ-OAHLLOKOSA-N 0 0 344.463 1.820 10 30 EDEERN N#Cc1ccc(OCCNC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000175984349 442157669 /nfs/dbraw/zinc/15/76/69/442157669.db2.gz WROLLURAVJVRAZ-HNNXBMFYSA-N 0 0 340.387 1.575 10 30 EDEERN N#CCCN(CCC#N)C(=O)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152517247 442221565 /nfs/dbraw/zinc/22/15/65/442221565.db2.gz DGFKLPIXTCHYKR-INIZCTEOSA-N 0 0 327.388 1.191 10 30 EDEERN CN(C(=O)CN1CCC[C@H](n2cncn2)C1)C1(C#N)CCCCC1 ZINC000171704985 442371918 /nfs/dbraw/zinc/37/19/18/442371918.db2.gz GPWOOLPKVDEFCG-HNNXBMFYSA-N 0 0 330.436 1.600 10 30 EDEERN C=CCSCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000172206475 442423915 /nfs/dbraw/zinc/42/39/15/442423915.db2.gz FRLGHYBIYYZMQT-DZGCQCFKSA-N 0 0 336.461 1.365 10 30 EDEERN N#Cc1ccc(CN(C(=O)N[C@@H]2CCc3ncnn3C2)C2CC2)cc1 ZINC000172604419 442501617 /nfs/dbraw/zinc/50/16/17/442501617.db2.gz LSLBGEMHIGNBOT-OAHLLOKOSA-N 0 0 336.399 1.839 10 30 EDEERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000180051304 442534060 /nfs/dbraw/zinc/53/40/60/442534060.db2.gz YJSRZPQKBZOMFM-HUUCEWRRSA-N 0 0 346.431 1.898 10 30 EDEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(Cn2cccn2)CC1 ZINC000157811591 442615952 /nfs/dbraw/zinc/61/59/52/442615952.db2.gz IEYLNEYEURSAIF-UHFFFAOYSA-N 0 0 348.403 1.995 10 30 EDEERN COc1cc(C#N)ccc1OCCN1CCOC[C@@H]1c1nc(C)no1 ZINC000185077830 443131930 /nfs/dbraw/zinc/13/19/30/443131930.db2.gz LIGBXSWLCFWAOM-CQSZACIVSA-N 0 0 344.371 1.711 10 30 EDEERN C#C[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000185373605 443190884 /nfs/dbraw/zinc/19/08/84/443190884.db2.gz CWHCXSQCHIFVRK-XHDPSFHLSA-N 0 0 327.409 1.821 10 30 EDEERN N#Cc1cccc([C@H]2CNCCN2S(=O)(=O)c2ccccc2)c1 ZINC000616639951 450456894 /nfs/dbraw/zinc/45/68/94/450456894.db2.gz SRNWSYCONWUUBF-QGZVFWFLSA-N 0 0 327.409 1.893 10 30 EDEERN C[C@@H]1CN(C(=O)c2ccccc2OCC#N)C[C@@H]1N1CCOCC1 ZINC000173843972 534431122 /nfs/dbraw/zinc/43/11/22/534431122.db2.gz LYENGADCGZOHEK-ZBFHGGJFSA-N 0 0 329.400 1.382 10 30 EDEERN N#CCc1ccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000111715224 534723014 /nfs/dbraw/zinc/72/30/14/534723014.db2.gz LFTJLZUOVMTMKT-MRXNPFEDSA-N 0 0 325.372 1.882 10 30 EDEERN O=S(=O)(NC[C@H]1CCCS1)c1ccc(C#CCO)cc1F ZINC000162141323 534868178 /nfs/dbraw/zinc/86/81/78/534868178.db2.gz WCXJZBIEYBQWIG-GFCCVEGCSA-N 0 0 329.418 1.343 10 30 EDEERN C=C(C)COCCNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000177586864 526646228 /nfs/dbraw/zinc/64/62/28/526646228.db2.gz FWQZEADIBNLGHV-AWEZNQCLSA-N 0 0 338.429 1.797 10 30 EDEERN C#CCN(C(=O)c1cccc(N)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000160283180 526781446 /nfs/dbraw/zinc/78/14/46/526781446.db2.gz BMHKRIHJCMUVGU-SNVBAGLBSA-N 0 0 326.805 1.185 10 30 EDEERN C=CCOc1ccccc1CNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000111452945 526941985 /nfs/dbraw/zinc/94/19/85/526941985.db2.gz URZWFWZZGDYGFG-OAHLLOKOSA-N 0 0 333.432 1.771 10 30 EDEERN C=CCN(CC=C)C(=O)CN1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000105865056 527609547 /nfs/dbraw/zinc/60/95/47/527609547.db2.gz SUGJGNWCYKIALI-OAHLLOKOSA-N 0 0 347.463 1.511 10 30 EDEERN N#Cc1cnccc1N1C[C@H]2COCC[C@@]2(C(=O)N2CCCC2)C1 ZINC000888101212 591030295 /nfs/dbraw/zinc/03/02/95/591030295.db2.gz TXCQHVNSWSJQSS-MAUKXSAKSA-N 0 0 326.400 1.419 10 30 EDEERN C#CCN[C@H](C(=O)OC)c1cc(OC)c(OC)cc1Br ZINC000051964517 214109682 /nfs/dbraw/zinc/10/96/82/214109682.db2.gz OGCSRIQXPXHWEW-ZDUSSCGKSA-N 0 0 342.189 1.903 10 30 EDEERN O=S(=O)(NCc1cc(C#CCO)ccc1F)c1cccs1 ZINC000049590867 214021140 /nfs/dbraw/zinc/02/11/40/214021140.db2.gz JORDGWHIXQMORY-UHFFFAOYSA-N 0 0 325.386 1.710 10 30 EDEERN CCc1nnc([C@H]2CN(C(=O)Nc3ccc(F)cc3C#N)CCO2)[nH]1 ZINC000152914350 529701297 /nfs/dbraw/zinc/70/12/97/529701297.db2.gz MYXYWROSJQZBOH-CYBMUJFWSA-N 0 0 344.350 1.983 10 30 EDEERN CCCN(CC#N)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000045092412 213707078 /nfs/dbraw/zinc/70/70/78/213707078.db2.gz WDVFUSUMVHDEKE-UHFFFAOYSA-N 0 0 334.394 1.153 10 30 EDEERN N/C(CCN(C(=O)c1cncc(Br)c1)C1CC1)=N/O ZINC000042546976 213513327 /nfs/dbraw/zinc/51/33/27/213513327.db2.gz WRUVVGLLHGCZHS-UHFFFAOYSA-N 0 0 327.182 1.585 10 30 EDEERN C=CCNC(=O)CN1C(=O)C(=O)c2cc(Br)cc(C)c21 ZINC000042117988 213481654 /nfs/dbraw/zinc/48/16/54/213481654.db2.gz OAKIALZWJRGTNB-UHFFFAOYSA-N 0 0 337.173 1.589 10 30 EDEERN N#CCCN(CCC#N)c1ncnc(-n2nnc3ccccc32)c1N ZINC000040751922 213382257 /nfs/dbraw/zinc/38/22/57/213382257.db2.gz FDEOAQPFMYPWKR-UHFFFAOYSA-N 0 0 333.359 1.426 10 30 EDEERN N#C[C@@]1(NS(=O)(=O)c2c(Cl)nc3sccn32)CCSC1 ZINC000040691423 213370773 /nfs/dbraw/zinc/37/07/73/213370773.db2.gz KDHPECCALDKDNE-JTQLQIEISA-N 0 0 348.862 1.727 10 30 EDEERN Cc1nnc([C@@H]2CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)[nH]1 ZINC000128710828 237193801 /nfs/dbraw/zinc/19/38/01/237193801.db2.gz OCXFYVFUORRSDO-HNNXBMFYSA-N 0 0 341.371 1.158 10 30 EDEERN COc1ccc(OC)c(S(=O)(=O)N/N=C/c2ccccc2O)c1 ZINC000020247679 212115113 /nfs/dbraw/zinc/11/51/13/212115113.db2.gz ZXSOBZOMISKVEX-MHWRWJLKSA-N 0 0 336.369 1.722 10 30 EDEERN N#Cc1ccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)cc1Cl ZINC000195045631 139005542 /nfs/dbraw/zinc/00/55/42/139005542.db2.gz NAPRHTQXNAMCJG-AWEZNQCLSA-N 0 0 346.818 1.847 10 30 EDEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000195117179 139007425 /nfs/dbraw/zinc/00/74/25/139007425.db2.gz SSBBSOGXCJCBQJ-LLVKDONJSA-N 0 0 329.381 1.848 10 30 EDEERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(C#N)cc1C ZINC000081074085 217357861 /nfs/dbraw/zinc/35/78/61/217357861.db2.gz OZPKRLOVLMHMAB-ZDUSSCGKSA-N 0 0 331.401 1.580 10 30 EDEERN Cc1ccc(N2CCCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)nn1 ZINC000246999486 249312918 /nfs/dbraw/zinc/31/29/18/249312918.db2.gz BLBITWSFUBVCEB-GOSISDBHSA-N 0 0 342.447 1.106 10 30 EDEERN O=S(=O)(N[C@@H]1CCOC1)c1ccc(C#CCCO)cc1Cl ZINC000161847818 225703233 /nfs/dbraw/zinc/70/32/33/225703233.db2.gz CZYYXLNQVWYZJL-GFCCVEGCSA-N 0 0 329.805 1.141 10 30 EDEERN C=CCCOCCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000122654859 222131870 /nfs/dbraw/zinc/13/18/70/222131870.db2.gz GTNLBRXSZHGKED-GOSISDBHSA-N 0 0 347.459 1.640 10 30 EDEERN N#CCCCCS(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172605114 227794068 /nfs/dbraw/zinc/79/40/68/227794068.db2.gz MPVHYWABFDSRIE-UHFFFAOYSA-N 0 0 348.428 1.973 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)CC2 ZINC000114862985 441693330 /nfs/dbraw/zinc/69/33/30/441693330.db2.gz QOEXOGMBNVZZLS-GXTWGEPZSA-N 0 0 339.399 1.611 10 30 EDEERN C#Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000123189310 441879003 /nfs/dbraw/zinc/87/90/03/441879003.db2.gz BJMGHDKLAPVHRB-BEFAXECRSA-N 0 0 326.396 1.760 10 30 EDEERN C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000175663429 442102054 /nfs/dbraw/zinc/10/20/54/442102054.db2.gz XQDARPHKKZIFLX-YOEHRIQHSA-N 0 0 328.416 1.420 10 30 EDEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000176590969 442238233 /nfs/dbraw/zinc/23/82/33/442238233.db2.gz MAKOWQDLIKZEJZ-LLVKDONJSA-N 0 0 331.397 1.791 10 30 EDEERN Cc1noc([C@H]2COCCN2C(=O)COc2ccccc2C#N)n1 ZINC000155484028 442401849 /nfs/dbraw/zinc/40/18/49/442401849.db2.gz CAQUMQYSUFGUHK-CYBMUJFWSA-N 0 0 328.328 1.229 10 30 EDEERN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)NCc2nc(C)no2)cn1 ZINC000328617239 444395724 /nfs/dbraw/zinc/39/57/24/444395724.db2.gz CNLREUYIXXRDPK-GXTWGEPZSA-N 0 0 334.380 1.518 10 30 EDEERN CCO/C=C(/C(=O)OCC)C(=O)[C@H]1CCCN(C(=O)OCC)C1 ZINC000575602309 447865959 /nfs/dbraw/zinc/86/59/59/447865959.db2.gz MCVFTHQDGBLIGS-OWRWYXLESA-N 0 0 327.377 1.908 10 30 EDEERN C[C@H]1CN(C(=O)c2ccccc2OCC#N)C[C@@H]1N1CCOCC1 ZINC000173843988 533886129 /nfs/dbraw/zinc/88/61/29/533886129.db2.gz LYENGADCGZOHEK-HOCLYGCPSA-N 0 0 329.400 1.382 10 30 EDEERN C=CCNc1ncc(C(=O)N2CCO[C@H](Cn3cc(C)cn3)C2)s1 ZINC000128884539 526680878 /nfs/dbraw/zinc/68/08/78/526680878.db2.gz YZPXDUBELXNIHP-ZDUSSCGKSA-N 0 0 347.444 1.787 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000173787951 527113305 /nfs/dbraw/zinc/11/33/05/527113305.db2.gz UNLPPVSPJJYNIN-CYBMUJFWSA-N 0 0 335.379 1.680 10 30 EDEERN C=CCn1c(C)cc(C(=O)CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1C ZINC000106100038 527296219 /nfs/dbraw/zinc/29/62/19/527296219.db2.gz XKINDCJWEZFKDS-HZPDHXFCSA-N 0 0 333.476 1.861 10 30 EDEERN CCCn1cc(CN2CCCN(C(=O)CSCC#N)CC2)cn1 ZINC000105833757 528841323 /nfs/dbraw/zinc/84/13/23/528841323.db2.gz BLHCLAFFBFFGRY-UHFFFAOYSA-N 0 0 335.477 1.584 10 30 EDEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000246486806 536758452 /nfs/dbraw/zinc/75/84/52/536758452.db2.gz PCVMZPHCHOETBN-CVEARBPZSA-N 0 0 325.372 1.701 10 30 EDEERN O=C(C#Cc1ccccc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130210139 598071572 /nfs/dbraw/zinc/07/15/72/598071572.db2.gz BWXSHDKWCBVCOF-SJLPKXTDSA-N 0 0 340.335 1.157 10 30 EDEERN N#Cc1ccc(-c2nnc(CN3CC[C@@H](N4CCOCC4)C3)o2)cc1 ZINC000173921557 231072362 /nfs/dbraw/zinc/07/23/62/231072362.db2.gz ZLJRGWDOMLMSOK-MRXNPFEDSA-N 0 0 339.399 1.515 10 30 EDEERN CCOC(=O)C(=CNc1ccsc1C(N)=O)C(=O)C(F)(F)F ZINC000100205897 219094009 /nfs/dbraw/zinc/09/40/09/219094009.db2.gz IGNVHBCXMBWQPM-AATRIKPKSA-N 0 0 336.291 1.837 10 30 EDEERN CN(c1cccc(Br)c1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000168480614 530035407 /nfs/dbraw/zinc/03/54/07/530035407.db2.gz VMUQTFGYRWTLDI-VIFPVBQESA-N 0 0 329.219 1.944 10 30 EDEERN C=CCNc1ncnc(N2CCN(c3ccc(OC)cc3)CC2)c1N ZINC000040708844 213372886 /nfs/dbraw/zinc/37/28/86/213372886.db2.gz OMRQNPLKXJGTKL-UHFFFAOYSA-N 0 0 340.431 1.992 10 30 EDEERN N#C[C@@]1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CCSC1 ZINC000040691415 213370634 /nfs/dbraw/zinc/37/06/34/213370634.db2.gz QTMSWLLIZCLYKV-NSHDSACASA-N 0 0 347.805 1.926 10 30 EDEERN COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116114130 138311595 /nfs/dbraw/zinc/31/15/95/138311595.db2.gz YAMIRXDJCYFNCQ-CQSZACIVSA-N 0 0 340.383 1.695 10 30 EDEERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(C#N)cs3)C2=O)n(C)n1 ZINC000177114778 138722756 /nfs/dbraw/zinc/72/27/56/138722756.db2.gz JERSZXCLMWNFBZ-LBPRGKRZSA-N 0 0 343.412 1.587 10 30 EDEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)N(CCC#N)CCC#N ZINC000105896095 237073289 /nfs/dbraw/zinc/07/32/89/237073289.db2.gz XWSWLQXKSGJHAE-INIZCTEOSA-N 0 0 342.447 1.830 10 30 EDEERN COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000185630468 138807046 /nfs/dbraw/zinc/80/70/46/138807046.db2.gz VKVSQYFGBNVKDR-CYBMUJFWSA-N 0 0 347.400 1.184 10 30 EDEERN CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000004971411 210345174 /nfs/dbraw/zinc/34/51/74/210345174.db2.gz TZDVRPATDXVRDT-UHFFFAOYSA-N 0 0 333.413 1.520 10 30 EDEERN CC(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000503719040 257830627 /nfs/dbraw/zinc/83/06/27/257830627.db2.gz KRYOMHONTOKRRY-MJGOQNOKSA-N 0 0 341.411 1.703 10 30 EDEERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cccc(C)c3C#N)CCO2)[nH]1 ZINC000123109693 222216912 /nfs/dbraw/zinc/21/69/12/222216912.db2.gz FLCQIVBBXULDKE-CYBMUJFWSA-N 0 0 347.400 1.055 10 30 EDEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123168178 222228031 /nfs/dbraw/zinc/22/80/31/222228031.db2.gz XZMGZBXXLAYMME-KXBFYZLASA-N 0 0 341.411 1.959 10 30 EDEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC000329064136 278162138 /nfs/dbraw/zinc/16/21/38/278162138.db2.gz VQMUXXADNZLLAE-TZMCWYRMSA-N 0 0 335.408 1.054 10 30 EDEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329384151 278519518 /nfs/dbraw/zinc/51/95/18/278519518.db2.gz PFOJXFVFYCGDPB-NQBHXWOUSA-N 0 0 345.465 1.601 10 30 EDEERN CCC[C@@H]1CNCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000261615542 278894197 /nfs/dbraw/zinc/89/41/97/278894197.db2.gz AVUPZTFRGZVAPD-GFCCVEGCSA-N 0 0 327.837 1.974 10 30 EDEERN Cn1cnc2cc(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)cnc21 ZINC000329282402 294470490 /nfs/dbraw/zinc/47/04/90/294470490.db2.gz MVFHLACOCPVPHS-CYBMUJFWSA-N 0 0 343.387 1.053 10 30 EDEERN N#CCSc1nnc(N)n1CC(=O)Nc1nc2c(s1)CCCC2 ZINC000001923429 440852976 /nfs/dbraw/zinc/85/29/76/440852976.db2.gz SZVVXSAGDFXLJI-UHFFFAOYSA-N 0 0 349.445 1.450 10 30 EDEERN C#CCOc1ccc(C(=O)N2CCO[C@@H](c3nnc(CC)[nH]3)C2)cc1 ZINC000173563712 441792280 /nfs/dbraw/zinc/79/22/80/441792280.db2.gz VCCKEVRDLQBYJR-OAHLLOKOSA-N 0 0 340.383 1.593 10 30 EDEERN N#C[C@H]1CCCC[C@@H]1OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000078612102 441949365 /nfs/dbraw/zinc/94/93/65/441949365.db2.gz SHDBRQZEMDZCIF-DOMZBBRYSA-N 0 0 341.367 1.705 10 30 EDEERN C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1nnc(C2CC2)n1C ZINC000176373674 442215434 /nfs/dbraw/zinc/21/54/34/442215434.db2.gz RSWUSBWLNSDDRP-GFCCVEGCSA-N 0 0 338.419 1.065 10 30 EDEERN C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]1N1CCOCC1 ZINC000177234341 442317382 /nfs/dbraw/zinc/31/73/82/442317382.db2.gz UEMBBTQQSNUXEJ-ZFWWWQNUSA-N 0 0 348.472 1.601 10 30 EDEERN C=CCN(c1c(C(=O)OC)cccc1C(=O)OC)S(C)(=O)=O ZINC000222251038 443076070 /nfs/dbraw/zinc/07/60/70/443076070.db2.gz DLQXDZOTCQVGNV-UHFFFAOYSA-N 0 0 327.358 1.212 10 30 EDEERN CN(C)C(=O)C[C@]1(O)CCCN(c2c(C#N)nnc3ccccc32)C1 ZINC000591617679 448410205 /nfs/dbraw/zinc/41/02/05/448410205.db2.gz HPNNKYCGIMIZLN-GOSISDBHSA-N 0 0 339.399 1.311 10 30 EDEERN N#C[C@@]1(NS(=O)(=O)c2ccc(Br)cc2)CCCOC1 ZINC000584643732 448588991 /nfs/dbraw/zinc/58/89/91/448588991.db2.gz IKECNTSHEWBIOY-LBPRGKRZSA-N 0 0 345.218 1.800 10 30 EDEERN C=CCNc1ncc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)s1 ZINC000129377336 526680617 /nfs/dbraw/zinc/68/06/17/526680617.db2.gz UECDLSUAQRFLSO-OLZOCXBDSA-N 0 0 336.461 1.534 10 30 EDEERN CC1(C)CN(S(=O)(=O)c2cccc(C#CCO)c2)CCS1 ZINC000159030896 529127746 /nfs/dbraw/zinc/12/77/46/529127746.db2.gz FDUCKIXOIIMRPQ-UHFFFAOYSA-N 0 0 325.455 1.547 10 30 EDEERN Cn1cnnc1C[C@]1(O)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000888076833 590933091 /nfs/dbraw/zinc/93/30/91/590933091.db2.gz KZGXEEDFTNIXNS-QGZVFWFLSA-N 0 0 329.379 1.395 10 30 EDEERN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)C#N ZINC000125521175 596942532 /nfs/dbraw/zinc/94/25/32/596942532.db2.gz JGKHIHRCQNNNKW-YPMHNXCESA-N 0 0 348.428 1.312 10 30 EDEERN Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1C#N ZINC000173695043 231008202 /nfs/dbraw/zinc/00/82/02/231008202.db2.gz HPQDAZSHVURXCT-CYBMUJFWSA-N 0 0 338.371 1.260 10 30 EDEERN N#Cc1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)c(F)c1 ZINC000173908803 231067568 /nfs/dbraw/zinc/06/75/68/231067568.db2.gz TWUNIKXSKOGKLV-HNNXBMFYSA-N 0 0 332.379 1.313 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)CC2 ZINC000114975572 138310878 /nfs/dbraw/zinc/31/08/78/138310878.db2.gz GEQPNEIOYSOKFT-HNNXBMFYSA-N 0 0 338.415 1.869 10 30 EDEERN C=CCN1C[C@@]2(C(=O)[O-])C[N@H+](Cc3ccc(CC)cn3)C[C@H]2C1=O ZINC000072447993 216237404 /nfs/dbraw/zinc/23/74/04/216237404.db2.gz MMJFEXJWDQUDBM-YJBOKZPZSA-N 0 0 329.400 1.175 10 30 EDEERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C#N)cn1 ZINC000132588015 223345310 /nfs/dbraw/zinc/34/53/10/223345310.db2.gz APDXIWPISIDLBW-CQSZACIVSA-N 0 0 334.376 1.957 10 30 EDEERN Cc1cccc2c1N([C@@H](C)C(=O)Nc1c(C#N)cnn1C)C(=O)C2=O ZINC000016893373 211938628 /nfs/dbraw/zinc/93/86/28/211938628.db2.gz JKOWSVBVZQRQDD-JTQLQIEISA-N 0 0 337.339 1.157 10 30 EDEERN Cc1ccc(C#CCO)cc1S(=O)(=O)N[C@H]1CCCSC1 ZINC000136583587 223655011 /nfs/dbraw/zinc/65/50/11/223655011.db2.gz WOFJKWBLYRHBSL-AWEZNQCLSA-N 0 0 325.455 1.513 10 30 EDEERN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000246486828 139110361 /nfs/dbraw/zinc/11/03/61/139110361.db2.gz PCVMZPHCHOETBN-HZPDHXFCSA-N 0 0 325.372 1.701 10 30 EDEERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)Nc3cccc(C#N)c3)CCO2)[nH]1 ZINC000246818677 139122787 /nfs/dbraw/zinc/12/27/87/139122787.db2.gz CCAPFNVBKUAHPM-ABAIWWIYSA-N 0 0 340.387 1.385 10 30 EDEERN C=CCOc1ccc(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1OC ZINC000246623727 249310720 /nfs/dbraw/zinc/31/07/20/249310720.db2.gz DGHPMBVAHIVAMD-GJZGRUSLSA-N 0 0 348.443 1.787 10 30 EDEERN Cc1ccc(N2CCCN([C@H](C)C(=O)N(C)CCC#N)CC2)nn1 ZINC000247076285 249313753 /nfs/dbraw/zinc/31/37/53/249313753.db2.gz GTFHHQLANWKRSD-OAHLLOKOSA-N 0 0 330.436 1.058 10 30 EDEERN C=C(C)CN1c2cc(NC(=O)CCC(=O)OC)ccc2OCC1=O ZINC000012121215 211300403 /nfs/dbraw/zinc/30/04/03/211300403.db2.gz UVLZYWQTBFILAI-UHFFFAOYSA-N 0 0 332.356 1.880 10 30 EDEERN C=CCCO[C@H](C)C(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000115389926 441735170 /nfs/dbraw/zinc/73/51/70/441735170.db2.gz DDHHRPKLLPAZJD-MRXNPFEDSA-N 0 0 334.464 1.662 10 30 EDEERN C=CCN1C[C@@]2(C(=O)[O-])C[N@H+](Cc3ccc(CCC)o3)C[C@H]2C1=O ZINC000077489574 441791080 /nfs/dbraw/zinc/79/10/80/441791080.db2.gz AKAZPAFFRXBMBA-YJBOKZPZSA-N 0 0 332.400 1.763 10 30 EDEERN COC(=O)/C(=C/c1ccc(N2CCN(C)CC2=O)cc1OC)C(C)=O ZINC000140344303 441837400 /nfs/dbraw/zinc/83/74/00/441837400.db2.gz JDUDQARXXWAMFU-OQLLNIDSSA-N 0 0 346.383 1.119 10 30 EDEERN CCCCCCCCCCCC(=O)O[C@H](CO)[C@@H]1OC[C@@H](O)[C@H]1O ZINC000143939763 441876311 /nfs/dbraw/zinc/87/63/11/441876311.db2.gz KCFFTRNUGSQDSY-AHCXZYCDSA-N 0 0 346.464 1.932 10 30 EDEERN C=C(C)COCCNC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000151568512 442085784 /nfs/dbraw/zinc/08/57/84/442085784.db2.gz QJYIDVMHFMZVHX-HNNXBMFYSA-N 0 0 333.436 1.680 10 30 EDEERN C=CCCOCCNC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000121026432 442167157 /nfs/dbraw/zinc/16/71/57/442167157.db2.gz RAUFAXFFYLVXMC-AWEZNQCLSA-N 0 0 348.451 1.379 10 30 EDEERN C=CCN(C[C@@H](O)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121171793 442186432 /nfs/dbraw/zinc/18/64/32/442186432.db2.gz DQFAQMOSELOXTB-IAGOWNOFSA-N 0 0 339.457 1.239 10 30 EDEERN Cc1nnc([C@@H]2CN(C(=O)c3c(F)cc(C#N)cc3F)CCO2)[nH]1 ZINC000121302799 442200871 /nfs/dbraw/zinc/20/08/71/442200871.db2.gz KOJXOKTXWZFBMR-LBPRGKRZSA-N 0 0 333.298 1.477 10 30 EDEERN C[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1N1CCOCC1 ZINC000121364635 442208035 /nfs/dbraw/zinc/20/80/35/442208035.db2.gz IPTDXIUNWYXXFV-ABAIWWIYSA-N 0 0 335.354 1.629 10 30 EDEERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1cccc(C#N)c1 ZINC000176573436 442235942 /nfs/dbraw/zinc/23/59/42/442235942.db2.gz SDXCWKKGFSFBPR-HSZRJFAPSA-N 0 0 332.389 1.013 10 30 EDEERN Cc1ccccc1[C@@H](C)NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000171897123 442388005 /nfs/dbraw/zinc/38/80/05/442388005.db2.gz RQVDNHOGVFANJV-VLUKHXRESA-N 0 0 342.399 1.882 10 30 EDEERN COCCN1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1C ZINC000172335926 442445783 /nfs/dbraw/zinc/44/57/83/442445783.db2.gz HHYLZUFENVZQFA-ZDUSSCGKSA-N 0 0 334.395 1.559 10 30 EDEERN Cc1cc(N2CCC[C@H](NC(=O)C3(C#N)CCCCC3)C2=O)n(C)n1 ZINC000173067771 442598621 /nfs/dbraw/zinc/59/86/21/442598621.db2.gz NWWQOLLZUCOMFZ-AWEZNQCLSA-N 0 0 343.431 1.814 10 30 EDEERN COCCN1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@@H]1C ZINC000247224593 442842231 /nfs/dbraw/zinc/84/22/31/442842231.db2.gz VUZAXZCAVGERNS-GJZGRUSLSA-N 0 0 331.416 1.505 10 30 EDEERN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189467386 442961152 /nfs/dbraw/zinc/96/11/52/442961152.db2.gz SNTILMGADVCERA-UHFFFAOYSA-N 0 0 343.431 1.083 10 30 EDEERN Cc1cccc(-n2nc(C#N)c(N(C)[C@H]3CCS(=O)(=O)C3)n2)c1C ZINC000256048028 443115352 /nfs/dbraw/zinc/11/53/52/443115352.db2.gz QFCVZZDTDBXDBF-ZDUSSCGKSA-N 0 0 345.428 1.379 10 30 EDEERN Cc1ccncc1NC(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000328629844 444402908 /nfs/dbraw/zinc/40/29/08/444402908.db2.gz IRYHFIHUGSNKJE-GFCCVEGCSA-N 0 0 328.376 1.881 10 30 EDEERN Cc1nnc([C@H]2COCCN2C(=O)[C@@H](C)Oc2cccc(C#N)c2)o1 ZINC000328611143 444393227 /nfs/dbraw/zinc/39/32/27/444393227.db2.gz KOLTVBHLIMTUMU-IAQYHMDHSA-N 0 0 342.355 1.617 10 30 EDEERN COC(=O)Cc1cc(I)c(C#N)c([N+](=O)[O-])c1 ZINC000575392252 449086821 /nfs/dbraw/zinc/08/68/21/449086821.db2.gz KHERWQZJVFQXCD-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN CCn1cc(O[C@@H]2CN(Cc3ccc(OC)c(C#N)c3)C[C@H]2O)cn1 ZINC000599501921 450026227 /nfs/dbraw/zinc/02/62/27/450026227.db2.gz LOYGPKQBIWMLQO-SJLPKXTDSA-N 0 0 342.399 1.407 10 30 EDEERN C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000173804623 534303106 /nfs/dbraw/zinc/30/31/06/534303106.db2.gz IWZSBCNBNSYHIF-QAPCUYQASA-N 0 0 327.428 1.670 10 30 EDEERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3ccccc3C#N)C2)no1 ZINC000171430164 534410319 /nfs/dbraw/zinc/41/03/19/534410319.db2.gz CDPZXNQYJSQSRJ-ZDUSSCGKSA-N 0 0 346.412 1.893 10 30 EDEERN CN(C)c1nc(N=NCc2ccc(F)cc2)nc(N2CCOCC2)n1 ZINC000004402308 522328066 /nfs/dbraw/zinc/32/80/66/522328066.db2.gz HCGNDLWITZFUFK-WOJGMQOQSA-N 0 0 345.382 1.359 10 30 EDEERN C=CCN(CCO)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000158745623 526276120 /nfs/dbraw/zinc/27/61/20/526276120.db2.gz NFOZMGSYXVHGTO-UHFFFAOYSA-N 0 0 325.308 1.754 10 30 EDEERN C=CCNc1ncc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)s1 ZINC000129377545 526680741 /nfs/dbraw/zinc/68/07/41/526680741.db2.gz UECDLSUAQRFLSO-STQMWFEESA-N 0 0 336.461 1.534 10 30 EDEERN C=CCNc1ncc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)s1 ZINC000129028339 526683625 /nfs/dbraw/zinc/68/36/25/526683625.db2.gz XJTQGYPXGNBTEB-LBPRGKRZSA-N 0 0 344.444 1.930 10 30 EDEERN CC(C)(C)CN(CCC#N)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000171946436 527681089 /nfs/dbraw/zinc/68/10/89/527681089.db2.gz BODDGHISZZCJQA-AWEZNQCLSA-N 0 0 343.427 1.905 10 30 EDEERN COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1[C@H]3O[C@H]3O[C@@H]1O2 ZINC000006017718 571690119 /nfs/dbraw/zinc/69/01/19/571690119.db2.gz KHBXRZGALJGBPA-IRWJRLHMSA-N 0 0 328.276 1.488 10 30 endogenous,in-man EDEERN N#Cc1ccc(N2CCC[C@](O)(c3cn[nH]n3)C2)c(Br)c1 ZINC000793981588 580863302 /nfs/dbraw/zinc/86/33/02/580863302.db2.gz ULJZZXLBHPZFTI-CQSZACIVSA-N 0 0 348.204 1.927 10 30 EDEERN C=CC[C@H](C)NC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000116852474 596148281 /nfs/dbraw/zinc/14/82/81/596148281.db2.gz NMGWKDOXVLOLOF-WFASDCNBSA-N 0 0 349.456 1.831 10 30 EDEERN Cc1noc([C@@H]2CC(=O)N(C3CN(c4nc(C)ccc4C#N)C3)C2)n1 ZINC000864308629 596828218 /nfs/dbraw/zinc/82/82/18/596828218.db2.gz YFCDYYFHHZONCV-CYBMUJFWSA-N 0 0 338.371 1.158 10 30 EDEERN Cc1nnc([C@@H]2CN(CC(=O)Nc3sccc3C#N)CCO2)[nH]1 ZINC000173683530 231004652 /nfs/dbraw/zinc/00/46/52/231004652.db2.gz JHPUHKAHUMANCB-NSHDSACASA-N 0 0 332.389 1.058 10 30 EDEERN C[C@@H](/C(N)=N/O)N1CCN(c2ncccc2Br)CC1 ZINC000104055324 219342111 /nfs/dbraw/zinc/34/21/11/219342111.db2.gz LUHJZKDVDCWPNR-VIFPVBQESA-N 0 0 328.214 1.101 10 30 EDEERN CCN(CCC#N)S(=O)(=O)c1ccc(Br)cc1N ZINC000040336634 213292618 /nfs/dbraw/zinc/29/26/18/213292618.db2.gz OUNSQBXNCYVYRY-UHFFFAOYSA-N 0 0 332.223 1.956 10 30 EDEERN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000056623929 138151737 /nfs/dbraw/zinc/15/17/37/138151737.db2.gz FYVCJPATRCXJIY-CYBMUJFWSA-N 0 0 332.404 1.799 10 30 EDEERN N#Cc1ccc(NC(=O)CN2CCC(Nc3cccnn3)CC2)cc1 ZINC000105804764 138301744 /nfs/dbraw/zinc/30/17/44/138301744.db2.gz VLZDNGIGOVNVBP-UHFFFAOYSA-N 0 0 336.399 1.863 10 30 EDEERN C#CCNC(=O)COc1c(Br)cc(C=O)cc1OC ZINC000036815152 213119994 /nfs/dbraw/zinc/11/99/94/213119994.db2.gz HGRZNFBCCWXVOF-UHFFFAOYSA-N 0 0 326.146 1.398 10 30 EDEERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1cccc(C#N)c1 ZINC000195519741 139019514 /nfs/dbraw/zinc/01/95/14/139019514.db2.gz NBYLKCGBTCGHCN-UHFFFAOYSA-N 0 0 332.385 1.328 10 30 EDEERN C=CCn1nc(C(=O)OCC)c2c1CCN(C(=O)c1ccnn1C)C2 ZINC000014742274 211759793 /nfs/dbraw/zinc/75/97/93/211759793.db2.gz SOXXIEXLFBAJHH-UHFFFAOYSA-N 0 0 343.387 1.178 10 30 EDEERN COC(=O)C(=NNc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)=O ZINC000008801775 211007333 /nfs/dbraw/zinc/00/73/33/211007333.db2.gz KUDQZORHQRYSHG-NBVRZTHBSA-N 0 0 330.344 1.014 10 30 EDEERN C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)C(C)C=O)[C@@H]12 ZINC000238791242 277812062 /nfs/dbraw/zinc/81/20/62/277812062.db2.gz LBPSRWRTOWEBRQ-XVSULKNUSA-N 0 0 346.379 1.971 10 30 EDEERN Cn1nccc1C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000157802760 294584128 /nfs/dbraw/zinc/58/41/28/294584128.db2.gz ICQFKEJCHOEFOW-UHFFFAOYSA-N 0 0 330.413 1.860 10 30 EDEERN COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000015566447 441206007 /nfs/dbraw/zinc/20/60/07/441206007.db2.gz RFEZOBHWBWGOEK-UHFFFAOYSA-N 0 0 339.351 1.944 10 30 EDEERN Cn1cc([C@@H]2CCN(C(=O)NCCOc3ccc(C#N)cc3)C2)cn1 ZINC000173374276 441728939 /nfs/dbraw/zinc/72/89/39/441728939.db2.gz HOHBIXVUKZFQGU-OAHLLOKOSA-N 0 0 339.399 1.870 10 30 EDEERN C#Cc1cccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000123189528 441878632 /nfs/dbraw/zinc/87/86/32/441878632.db2.gz BJMGHDKLAPVHRB-HNAYVOBHSA-N 0 0 326.396 1.760 10 30 EDEERN C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1N1CCOCC1 ZINC000175764905 442118660 /nfs/dbraw/zinc/11/86/60/442118660.db2.gz IGPLIMDFJAXPIP-GUYCJALGSA-N 0 0 346.406 1.559 10 30 EDEERN C=CCCS(=O)(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000120616226 442105363 /nfs/dbraw/zinc/10/53/63/442105363.db2.gz BXMSCJFQNDKTTF-UHFFFAOYSA-N 0 0 340.493 1.662 10 30 EDEERN C=CCNC(=O)NC(=O)CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121220019 442193299 /nfs/dbraw/zinc/19/32/99/442193299.db2.gz GVFPCPDPWRUWSD-BXUZGUMPSA-N 0 0 339.342 1.084 10 30 EDEERN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000175955002 442152778 /nfs/dbraw/zinc/15/27/78/442152778.db2.gz WTWYIAAZCJSYQR-CQSZACIVSA-N 0 0 340.387 1.851 10 30 EDEERN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000176997862 442282837 /nfs/dbraw/zinc/28/28/37/442282837.db2.gz QDTBSUHLTSYXJM-GDBMZVCRSA-N 0 0 349.456 1.208 10 30 EDEERN CCOc1ccnc(N2CCN(C(=O)NCCCCC#N)CC2)n1 ZINC000172263215 442432786 /nfs/dbraw/zinc/43/27/86/442432786.db2.gz ZJYBTXHBMJKKHQ-UHFFFAOYSA-N 0 0 332.408 1.401 10 30 EDEERN C[C@H](CC#N)N(C)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156221719 442455556 /nfs/dbraw/zinc/45/55/56/442455556.db2.gz YNTZCFPLALYZQS-MRVPVSSYSA-N 0 0 327.182 1.914 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)CC2 ZINC000157597077 442596357 /nfs/dbraw/zinc/59/63/57/442596357.db2.gz XYITWLKUTXNEBR-LBPRGKRZSA-N 0 0 349.391 1.145 10 30 EDEERN C[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccccc1SCC#N ZINC000189263736 442907834 /nfs/dbraw/zinc/90/78/34/442907834.db2.gz QOAZKIJSIULWMF-GFCCVEGCSA-N 0 0 332.429 1.451 10 30 EDEERN CCN(c1nn(-c2ccc(F)cc2)nc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000256048023 443115426 /nfs/dbraw/zinc/11/54/26/443115426.db2.gz QDJLERJGJDNSPP-ZDUSSCGKSA-N 0 0 349.391 1.291 10 30 EDEERN CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2nccnc2C#N)C1 ZINC000548006713 320854556 /nfs/dbraw/zinc/85/45/56/320854556.db2.gz SQSHCQCMVXDVAS-OAHLLOKOSA-N 0 0 328.401 1.355 10 30 EDEERN C=CCC[C@@H](OS(C)(=O)=O)[C@@H](CCC=C)OS(C)(=O)=O ZINC000309915995 444290409 /nfs/dbraw/zinc/29/04/09/444290409.db2.gz ODYRSSGWGWCKME-VXGBXAGGSA-N 0 0 326.436 1.608 10 30 EDEERN N#Cc1cccc(-c2cn3c(n2)N(C(=O)[C@@H]2CCC(=O)N2)CCC3)c1 ZINC000065259556 490997179 /nfs/dbraw/zinc/99/71/79/490997179.db2.gz ZPACGWTYFCYNNR-AWEZNQCLSA-N 0 0 335.367 1.437 10 30 EDEERN CC#CCNC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000154434329 526379822 /nfs/dbraw/zinc/37/98/22/526379822.db2.gz RFXZUFLHQDYLFG-HNNXBMFYSA-N 0 0 327.409 1.823 10 30 EDEERN C=CCNc1ncc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)s1 ZINC000129377795 526680902 /nfs/dbraw/zinc/68/09/02/526680902.db2.gz UECDLSUAQRFLSO-CHWSQXEVSA-N 0 0 336.461 1.534 10 30 EDEERN CCOc1ccc(C#N)cc1NC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000181183686 528378292 /nfs/dbraw/zinc/37/82/92/528378292.db2.gz UXZVLDZOMFBBDE-HNNXBMFYSA-N 0 0 346.431 1.877 10 30 EDEERN Cc1cc(C(=O)Nc2ccc(C#N)cc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000049683386 214026516 /nfs/dbraw/zinc/02/65/16/214026516.db2.gz AVVHOOCOOMPLBZ-AWEZNQCLSA-N 0 0 344.396 1.675 10 30 EDEERN CCc1nnc([C@H]2CN(C(=O)Nc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000130042333 529700962 /nfs/dbraw/zinc/70/09/62/529700962.db2.gz XCUJXRWIBCITGB-CYBMUJFWSA-N 0 0 326.360 1.844 10 30 EDEERN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)cc1Cl ZINC000177552413 231926102 /nfs/dbraw/zinc/92/61/02/231926102.db2.gz DAZQLMRBGMKSAG-SMDDNHRTSA-N 0 0 335.791 1.817 10 30 EDEERN N/C(CN1CCN(Cc2cccc(Br)c2)CC1)=N\O ZINC000104056779 219343607 /nfs/dbraw/zinc/34/36/07/219343607.db2.gz YSRPTXYWJUOKGO-UHFFFAOYSA-N 0 0 327.226 1.313 10 30 EDEERN C[C@@H]1CN(S(=O)(=O)c2ccc(C#CCO)cc2)C[C@H](C)S1 ZINC000070388937 215689082 /nfs/dbraw/zinc/68/90/82/215689082.db2.gz DZWAMNOHOBMXFX-BETUJISGSA-N 0 0 325.455 1.545 10 30 EDEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000178520653 138742389 /nfs/dbraw/zinc/74/23/89/138742389.db2.gz LJASECLZMKEEAW-AWEZNQCLSA-N 0 0 338.371 1.356 10 30 EDEERN CNC(=O)[C@H](NC(=O)CCCCOc1cccc(C#N)c1)C(C)C ZINC000178718682 138744854 /nfs/dbraw/zinc/74/48/54/138744854.db2.gz WAKGFKRECSSSNR-QGZVFWFLSA-N 0 0 331.416 1.994 10 30 EDEERN CCc1noc([C@@H](C)N2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000105865205 237067005 /nfs/dbraw/zinc/06/70/05/237067005.db2.gz JUZNCZSYRLPYMP-ZIAGYGMSSA-N 0 0 348.451 1.071 10 30 EDEERN CC[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1C[C@H](C)O ZINC000245798120 139086315 /nfs/dbraw/zinc/08/63/15/139086315.db2.gz XKDAEONVXZXGFV-HOCLYGCPSA-N 0 0 327.432 1.483 10 30 EDEERN Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1[N+](=O)[O-] ZINC000004962423 210341021 /nfs/dbraw/zinc/34/10/21/210341021.db2.gz LXNMDLIWFLFDRK-OQLLNIDSSA-N 0 0 335.341 1.921 10 30 EDEERN N#Cc1c[nH]c(C(=O)N2CCOC[C@H]2c2ncnn2-c2ccccc2)c1 ZINC000375082277 157489439 /nfs/dbraw/zinc/48/94/39/157489439.db2.gz XLAZDQUZNKZBNT-INIZCTEOSA-N 0 0 348.366 1.681 10 30 EDEERN Cn1nccc1C1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000159329941 225195481 /nfs/dbraw/zinc/19/54/81/225195481.db2.gz MNIXDUNTGOBVCX-UHFFFAOYSA-N 0 0 348.403 1.999 10 30 EDEERN COc1ccc(C(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000015545260 441205126 /nfs/dbraw/zinc/20/51/26/441205126.db2.gz HETBANAEPSVMKG-UHFFFAOYSA-N 0 0 339.351 1.944 10 30 EDEERN C#CCNC(=O)c1ccc(N2CCC[C@@H](NC(=O)C(C)C)C2)nc1 ZINC000080985615 441218117 /nfs/dbraw/zinc/21/81/17/441218117.db2.gz KDYKSJWZLRQCNM-OAHLLOKOSA-N 0 0 328.416 1.186 10 30 EDEERN C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000105281094 441246857 /nfs/dbraw/zinc/24/68/57/441246857.db2.gz NICNKGPNZLMTTO-HNNXBMFYSA-N 0 0 332.404 1.055 10 30 EDEERN COc1cc(C#N)ccc1CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000120882311 442146095 /nfs/dbraw/zinc/14/60/95/442146095.db2.gz KVCZVFLGBDINOE-KRWDZBQOSA-N 0 0 326.400 1.973 10 30 EDEERN Cc1sc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)c(C#N)c1C ZINC000177310281 442327401 /nfs/dbraw/zinc/32/74/01/442327401.db2.gz CUJZRJVATPMEKM-CQSZACIVSA-N 0 0 348.472 1.582 10 30 EDEERN N#Cc1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)ccc1Cl ZINC000177401689 442336891 /nfs/dbraw/zinc/33/68/91/442336891.db2.gz UVMYBJAQJSTYAZ-CQSZACIVSA-N 0 0 346.818 1.847 10 30 EDEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000178515161 442440522 /nfs/dbraw/zinc/44/05/22/442440522.db2.gz SIPPYVZAPDIOGZ-HNNXBMFYSA-N 0 0 326.400 1.502 10 30 EDEERN COCCN1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@H]1C ZINC000172334796 442445876 /nfs/dbraw/zinc/44/58/76/442445876.db2.gz VDRLQRVRLLTOOD-OAHLLOKOSA-N 0 0 346.431 1.451 10 30 EDEERN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)n1 ZINC000179766913 442499303 /nfs/dbraw/zinc/49/93/03/442499303.db2.gz JLSHGLPYJIFBQW-WCQYABFASA-N 0 0 347.419 1.116 10 30 EDEERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000156280760 442462605 /nfs/dbraw/zinc/46/26/05/442462605.db2.gz ALDLGOQOSAHVSU-GFCCVEGCSA-N 0 0 341.820 1.453 10 30 EDEERN C=C[C@](C)(CCOC)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000188066911 442707790 /nfs/dbraw/zinc/70/77/90/442707790.db2.gz GDOXFCLSZNMIAA-QGZVFWFLSA-N 0 0 344.419 1.002 10 30 EDEERN C#CCOc1ccccc1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000188069415 442707797 /nfs/dbraw/zinc/70/77/97/442707797.db2.gz NEONDRPURWBOOU-HNNXBMFYSA-N 0 0 329.400 1.637 10 30 EDEERN CCOc1ccnc(N2CCN(C(=O)c3ccnc(C#N)c3)CC2)n1 ZINC000193173744 442719987 /nfs/dbraw/zinc/71/99/87/442719987.db2.gz XABXLWFIOJSWMH-UHFFFAOYSA-N 0 0 338.371 1.104 10 30 EDEERN C#CCOc1ccccc1NC(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000188083358 442709385 /nfs/dbraw/zinc/70/93/85/442709385.db2.gz MCESIDYFUUUALT-CYBMUJFWSA-N 0 0 339.399 1.989 10 30 EDEERN CCCCOC[C@@H](O)CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000248643649 442912313 /nfs/dbraw/zinc/91/23/13/442912313.db2.gz DULPOMCDWMFWTC-CABCVRRESA-N 0 0 333.436 1.036 10 30 EDEERN O=C(NCCOCCOCCO)OCC1[C@H]2CCC#CCC[C@H]12 ZINC000230496969 443135183 /nfs/dbraw/zinc/13/51/83/443135183.db2.gz PEXDOIHAKXYTET-GJZGRUSLSA-N 0 0 325.405 1.178 10 30 EDEERN N#Cc1nn(-c2ccccc2[N+](=O)[O-])nc1N1CCCC[C@@H]1CCO ZINC000256047029 443115374 /nfs/dbraw/zinc/11/53/74/443115374.db2.gz JTOLNQDJWHNDML-GFCCVEGCSA-N 0 0 342.359 1.788 10 30 EDEERN CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)Nc2cccnc2)cn1 ZINC000328618714 444396495 /nfs/dbraw/zinc/39/64/95/444396495.db2.gz DYXVLOGEVIBOIB-AWEZNQCLSA-N 0 0 349.416 1.315 10 30 EDEERN Cc1cncc(NC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)c1 ZINC000328622227 444397263 /nfs/dbraw/zinc/39/72/63/444397263.db2.gz IHGHCXDTJPTYIZ-OAHLLOKOSA-N 0 0 342.403 1.865 10 30 EDEERN COC(=O)Cc1c(C#N)ccc([N+](=O)[O-])c1I ZINC000575392819 449088387 /nfs/dbraw/zinc/08/83/87/449088387.db2.gz ZLYNIJWTOZVTJF-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN CC(C)(C)NC(=O)CSc1nnc(NN=Cc2ccccc2O)[nH]1 ZINC000005901158 518736403 /nfs/dbraw/zinc/73/64/03/518736403.db2.gz MKSJKQDRTAACCJ-LZYBPNLTSA-N 0 0 348.432 1.963 10 30 EDEERN C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(CCOCC)[C@H](C)C1 ZINC000105835241 526541473 /nfs/dbraw/zinc/54/14/73/526541473.db2.gz ZUOIBALNOGEMBH-SJORKVTESA-N 0 0 325.497 1.842 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000174983066 527108770 /nfs/dbraw/zinc/10/87/70/527108770.db2.gz APCKMVQANMKAPH-IUODEOHRSA-N 0 0 348.374 1.444 10 30 EDEERN Cc1noc([C@H]2CC(=O)N(C3CN(c4cccc(F)c4C#N)C3)C2)n1 ZINC000864308310 596827587 /nfs/dbraw/zinc/82/75/87/596827587.db2.gz UJFNAWCVGSTJLN-NSHDSACASA-N 0 0 341.346 1.594 10 30 EDEERN CN(C)c1nc([C@@H]2CCN(c3ncc(C#N)cc3F)C2)cc(=O)[nH]1 ZINC000864312787 596830946 /nfs/dbraw/zinc/83/09/46/596830946.db2.gz LMKCOCCFRRBFDL-LLVKDONJSA-N 0 0 328.351 1.648 10 30 EDEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000178520637 282103617 /nfs/dbraw/zinc/10/36/17/282103617.db2.gz LJASECLZMKEEAW-CQSZACIVSA-N 0 0 338.371 1.356 10 30 EDEERN CN(Cc1cc(C#CCO)cs1)S(=O)(=O)C[C@H]1CCCO1 ZINC000063156732 214747822 /nfs/dbraw/zinc/74/78/22/214747822.db2.gz OMVHLLTTZWEIPS-CYBMUJFWSA-N 0 0 329.443 1.033 10 30 EDEERN COc1ccc(-n2c(/N=C/N(C)C)c(Cl)c(=O)n(C)c2=O)cc1 ZINC000100070645 219089947 /nfs/dbraw/zinc/08/99/47/219089947.db2.gz VGHBMPBRJOZPCM-RQZCQDPDSA-N 0 0 336.779 1.420 10 30 EDEERN C#CCOC[C@@H](O)CN(Cc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036099790 540122210 /nfs/dbraw/zinc/12/22/10/540122210.db2.gz JUPFJRSWWAVBGL-IRXDYDNUSA-N 0 0 339.382 1.957 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)cn1 ZINC000132678941 138380495 /nfs/dbraw/zinc/38/04/95/138380495.db2.gz SMOIKFGQABCTHH-CQSZACIVSA-N 0 0 330.369 1.190 10 30 EDEERN N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCCC[C@H]2O)cn1 ZINC000184629862 138796478 /nfs/dbraw/zinc/79/64/78/138796478.db2.gz MVLJIDOPRUTPMH-UONOGXRCSA-N 0 0 326.360 1.564 10 30 EDEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000112648245 220363389 /nfs/dbraw/zinc/36/33/89/220363389.db2.gz GNXYYLKBERQHNH-YOEHRIQHSA-N 0 0 339.399 1.684 10 30 EDEERN CC[C@@H]1CN(C(=O)COc2ccccc2C#N)CCN1CCOC ZINC000117307487 221050660 /nfs/dbraw/zinc/05/06/60/221050660.db2.gz YLUZOPFETLJPPZ-MRXNPFEDSA-N 0 0 331.416 1.506 10 30 EDEERN COc1cccc(/C=N/n2c3nncn3nc(C(C)(C)C)c2=O)c1O ZINC000027027920 258005502 /nfs/dbraw/zinc/00/55/02/258005502.db2.gz HKJSGPNUMQHQRH-QGMBQPNBSA-N 0 0 342.359 1.180 10 30 EDEERN N#Cc1ccc(OC2CN(C(=O)[C@@H]3CCCCS3(=O)=O)C2)cc1 ZINC000330106206 140802498 /nfs/dbraw/zinc/80/24/98/140802498.db2.gz KOCDAAQXTFWTFY-HNNXBMFYSA-N 0 0 334.397 1.115 10 30 EDEERN COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000184850232 294922916 /nfs/dbraw/zinc/92/29/16/294922916.db2.gz NFMMERCNFAGVEH-CQSZACIVSA-N 0 0 346.412 1.826 10 30 EDEERN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCCn2ncnc21 ZINC000125952324 303175246 /nfs/dbraw/zinc/17/52/46/303175246.db2.gz YDRNTEWFAZHXEV-LLVKDONJSA-N 0 0 337.792 1.617 10 30 EDEERN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCCn2ncnc21 ZINC000125951862 303181268 /nfs/dbraw/zinc/18/12/68/303181268.db2.gz KKRXIIPCQYMYRY-LLVKDONJSA-N 0 0 337.792 1.617 10 30 EDEERN CCOCCN1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000105834423 441287693 /nfs/dbraw/zinc/28/76/93/441287693.db2.gz YVBNCWSQUQQLAI-HOTGVXAUSA-N 0 0 344.459 1.928 10 30 EDEERN N#Cc1cccc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000105888831 441307730 /nfs/dbraw/zinc/30/77/30/441307730.db2.gz KUQYFXZVNJSMIT-MRXNPFEDSA-N 0 0 325.372 1.094 10 30 EDEERN C[C@@H](C(=O)NCc1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O ZINC000074504393 441441602 /nfs/dbraw/zinc/44/16/02/441441602.db2.gz KVQJHHWPNYHVCK-LBPRGKRZSA-N 0 0 333.347 1.859 10 30 EDEERN COCCN1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC000117296891 441868503 /nfs/dbraw/zinc/86/85/03/441868503.db2.gz FSRLOTAIDCLDBA-HNNXBMFYSA-N 0 0 331.416 1.311 10 30 EDEERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1ccccc1C#N ZINC000123115721 441876191 /nfs/dbraw/zinc/87/61/91/441876191.db2.gz FBVPMZLBZUODKC-OAHLLOKOSA-N 0 0 330.413 1.917 10 30 EDEERN C[C@H](CNC(=O)NCc1ccc(OCC#N)cc1)N1CCOCC1 ZINC000069767903 442033641 /nfs/dbraw/zinc/03/36/41/442033641.db2.gz SCINFTRRYLHTDY-CQSZACIVSA-N 0 0 332.404 1.109 10 30 EDEERN CO[C@@H]1[C@H](OC(=O)CN)CC[C@]2(CO2)[C@H]1[C@]1(C)O[C@@H]1CC=C(C)C ZINC000096793172 442150635 /nfs/dbraw/zinc/15/06/35/442150635.db2.gz OHBNYNIEIMYTHU-GMYDAAELSA-N 0 0 339.432 1.565 10 30 EDEERN C[C@H]1CN(c2nccnc2C#N)CCN1Cc1nnc(C2CC2)n1C ZINC000176373686 442215234 /nfs/dbraw/zinc/21/52/34/442215234.db2.gz RSWUSBWLNSDDRP-LBPRGKRZSA-N 0 0 338.419 1.065 10 30 EDEERN N#Cc1cc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)ccc1F ZINC000170842058 442272930 /nfs/dbraw/zinc/27/29/30/442272930.db2.gz UECDNORUMNBSGY-CQSZACIVSA-N 0 0 325.299 1.886 10 30 EDEERN C[C@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1N1CCOCC1 ZINC000177902636 442394452 /nfs/dbraw/zinc/39/44/52/442394452.db2.gz DRRICAZDYYNKNE-LRDDRELGSA-N 0 0 332.379 1.882 10 30 EDEERN CCN1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000156689502 442509426 /nfs/dbraw/zinc/50/94/26/442509426.db2.gz CAUMIOZRGXATQD-CYBMUJFWSA-N 0 0 327.837 1.974 10 30 EDEERN CC[C@@H](O)CN1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000180051274 442533446 /nfs/dbraw/zinc/53/34/46/442533446.db2.gz YJSRZPQKBZOMFM-LSDHHAIUSA-N 0 0 346.431 1.898 10 30 EDEERN C#CCCCC(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000192116477 442595497 /nfs/dbraw/zinc/59/54/97/442595497.db2.gz MMEOQCBBPFORPX-UHFFFAOYSA-N 0 0 326.404 1.124 10 30 EDEERN Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)C#N)N2CCOCC2)s1 ZINC000182700204 442809297 /nfs/dbraw/zinc/80/92/97/442809297.db2.gz AEKMGBFBCWBMLC-GXTWGEPZSA-N 0 0 336.461 1.889 10 30 EDEERN C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2COCCN2CCCC)c1 ZINC000184289119 443009238 /nfs/dbraw/zinc/00/92/38/443009238.db2.gz DNLAWIBFNRQSFT-KRWDZBQOSA-N 0 0 343.427 1.224 10 30 EDEERN COC(=O)c1ccc(NC(=O)CON=C2CCCc3nonc32)cc1 ZINC000254318075 443075500 /nfs/dbraw/zinc/07/55/00/443075500.db2.gz NBGSLIXLPDACLM-UHFFFAOYSA-N 0 0 344.327 1.552 10 30 EDEERN Cc1noc([C@@H]2COCCN2CC(=O)N(C)C2(C#N)CCCCC2)n1 ZINC000185074020 443131026 /nfs/dbraw/zinc/13/10/26/443131026.db2.gz YAGPTRJTKGOPJS-AWEZNQCLSA-N 0 0 347.419 1.436 10 30 EDEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190767771 443179682 /nfs/dbraw/zinc/17/96/82/443179682.db2.gz DSQXEJJUCUPSJC-HOCLYGCPSA-N 0 0 333.436 1.284 10 30 EDEERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000190990794 443220879 /nfs/dbraw/zinc/22/08/79/443220879.db2.gz RAZFIIFZOYTHSR-SECBINFHSA-N 0 0 327.793 1.111 10 30 EDEERN COCCN1C(=O)N[C@@H]2CN(Cc3cc(C#N)ccc3OC)CC[C@@H]21 ZINC000299746307 444133356 /nfs/dbraw/zinc/13/33/56/444133356.db2.gz WOCSVZFMGUMIJZ-CVEARBPZSA-N 0 0 344.415 1.181 10 30 EDEERN CCCc1n[nH]cc1C(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000328627693 444401514 /nfs/dbraw/zinc/40/15/14/444401514.db2.gz GMUKMQLZXQZLLK-GFCCVEGCSA-N 0 0 344.419 1.430 10 30 EDEERN CO[C@@H]1C[C@@H](c2nnc3cnccn32)N(Cc2cc(C#N)n(C)c2)C1 ZINC000583617638 448444798 /nfs/dbraw/zinc/44/47/98/448444798.db2.gz UTEPPKAXLPBTDN-CABCVRRESA-N 0 0 337.387 1.296 10 30 EDEERN CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(Cc2cc(C#N)n(C)c2)C1 ZINC000583617532 448445472 /nfs/dbraw/zinc/44/54/72/448445472.db2.gz NGKBQHWLZSWRDN-CABCVRRESA-N 0 0 326.404 1.854 10 30 EDEERN COC(=O)Cc1cc(C#N)cc(I)c1[N+](=O)[O-] ZINC000575392786 449088194 /nfs/dbraw/zinc/08/81/94/449088194.db2.gz WNXUCHPJYFTPRF-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN Cc1c(Cl)cnc(N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1C#N ZINC000599115041 449745274 /nfs/dbraw/zinc/74/52/74/449745274.db2.gz QKKHQFPWHUQJKR-ZIAGYGMSSA-N 0 0 333.779 1.277 10 30 EDEERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccccc3OCC#N)CCO2)c1 ZINC000112062182 534748266 /nfs/dbraw/zinc/74/82/66/534748266.db2.gz RJGBFBHLWYOSIY-HNNXBMFYSA-N 0 0 340.383 1.635 10 30 EDEERN COc1ccccc1/C=N/n1c2nncn2nc(C(C)(C)C)c1=O ZINC000004279667 524325595 /nfs/dbraw/zinc/32/55/95/524325595.db2.gz IMDDNCDYYNFBIL-GIJQJNRQSA-N 0 0 326.360 1.474 10 30 EDEERN C#CCN1CCN(S(=O)(=O)c2cc(C)c(Cl)c(N)c2)CC1 ZINC000164726854 526954459 /nfs/dbraw/zinc/95/44/59/526954459.db2.gz NCGYEHHHRDOYTI-UHFFFAOYSA-N 0 0 327.837 1.170 10 30 EDEERN C=CCCO[C@H](C)C(=O)N1CCN(c2nccc(OCC)n2)CC1 ZINC000105820092 527391857 /nfs/dbraw/zinc/39/18/57/527391857.db2.gz NVTSMKJVXHREDR-CQSZACIVSA-N 0 0 334.420 1.505 10 30 EDEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1ccn(CCC#N)n1)CC2 ZINC000173369127 528338266 /nfs/dbraw/zinc/33/82/66/528338266.db2.gz XNSYGOASCCMFTF-GFCCVEGCSA-N 0 0 342.407 1.648 10 30 EDEERN CC(C)(C#N)NC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000062195187 535002412 /nfs/dbraw/zinc/00/24/12/535002412.db2.gz RWLNQYCGBBTRMW-UHFFFAOYSA-N 0 0 340.427 1.777 10 30 EDEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2cccc(OCC#N)c2)C1 ZINC000888077715 590934209 /nfs/dbraw/zinc/93/42/09/590934209.db2.gz QUQHRVIVXFWZNJ-HZPDHXFCSA-N 0 0 340.383 1.843 10 30 EDEERN C#Cc1cccc(NC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000106433214 595288960 /nfs/dbraw/zinc/28/89/60/595288960.db2.gz BASYZITXABKDIW-LJQANCHMSA-N 0 0 349.434 1.896 10 30 EDEERN CN(C)c1nc([C@H]2CCN(C(=O)c3ccc(C#N)n3C)C2)cc(=O)[nH]1 ZINC000864834869 596377459 /nfs/dbraw/zinc/37/74/59/596377459.db2.gz CWUCGJHVTNSZCQ-NSHDSACASA-N 0 0 340.387 1.088 10 30 EDEERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(C)(C)C#N ZINC000130727481 597617410 /nfs/dbraw/zinc/61/74/10/597617410.db2.gz QPELAMFRPQHGJW-QWRGUYRKSA-N 0 0 342.392 1.974 10 30 EDEERN C[C@@H](CNC(=O)c1ccc(I)cc1)/C(N)=N/O ZINC000054155221 214220390 /nfs/dbraw/zinc/22/03/90/214220390.db2.gz NUFZPLGEAFFKKC-ZETCQYMHSA-N 0 0 347.156 1.404 10 30 EDEERN Cc1nnc([C@H]2CN(CC(=O)Nc3sccc3C#N)CCO2)[nH]1 ZINC000173683543 231004181 /nfs/dbraw/zinc/00/41/81/231004181.db2.gz JHPUHKAHUMANCB-LLVKDONJSA-N 0 0 332.389 1.058 10 30 EDEERN COC[C@@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000103429807 219298437 /nfs/dbraw/zinc/29/84/37/219298437.db2.gz XWFQRACIOWSZOO-GFCCVEGCSA-N 0 0 344.371 1.737 10 30 EDEERN C=CCOC(=O)c1sc(NC(=O)Cn2cc(C)ccc2=O)nc1C ZINC000071515446 215783732 /nfs/dbraw/zinc/78/37/32/215783732.db2.gz YLGLQXCNAGHAPN-UHFFFAOYSA-N 0 0 347.396 1.903 10 30 EDEERN Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1cnn2ccncc12 ZINC000329515500 249846792 /nfs/dbraw/zinc/84/67/92/249846792.db2.gz OOEPJFFYGKRKOX-JSGCOSHPSA-N 0 0 326.360 1.688 10 30 EDEERN COCCOC(=O)CCC(=O)NC(=S)Nc1ccc(C#N)cc1 ZINC000007498502 210808436 /nfs/dbraw/zinc/80/84/36/210808436.db2.gz REXVVOBOONSLAL-UHFFFAOYSA-N 0 0 335.385 1.341 10 30 EDEERN N#Cc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3Cc2cccnc2)c1 ZINC000096063877 218558361 /nfs/dbraw/zinc/55/83/61/218558361.db2.gz AVBBJFYNHLSBSA-MSOLQXFVSA-N 0 0 346.390 1.969 10 30 EDEERN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2C[C@H]2C)c1C ZINC000152231704 223930812 /nfs/dbraw/zinc/93/08/12/223930812.db2.gz GZXUDRXZNLQQIE-MEBBXXQBSA-N 0 0 337.383 1.824 10 30 EDEERN N#CCN(CC#N)c1ncnc(N2CCN(c3ccccc3)CC2)c1N ZINC000040726927 132405986 /nfs/dbraw/zinc/40/59/86/132405986.db2.gz JVJYSYHDPIWNGG-UHFFFAOYSA-N 0 0 348.414 1.239 10 30 EDEERN CCc1nnc([C@H]2CN(C(=O)Nc3ccc(F)c(C#N)c3)CCO2)[nH]1 ZINC000122121397 222018392 /nfs/dbraw/zinc/01/83/92/222018392.db2.gz VEOFPNPLBXLEKT-CYBMUJFWSA-N 0 0 344.350 1.983 10 30 EDEERN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123040436 222204666 /nfs/dbraw/zinc/20/46/66/222204666.db2.gz DTMXMJBWIYTWQF-UGSOOPFHSA-N 0 0 345.374 1.789 10 30 EDEERN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123040022 222205503 /nfs/dbraw/zinc/20/55/03/222205503.db2.gz DTMXMJBWIYTWQF-ACJLOTCBSA-N 0 0 345.374 1.789 10 30 EDEERN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000105279851 264246878 /nfs/dbraw/zinc/24/68/78/264246878.db2.gz GSPIKWTYBOGEDG-QGZVFWFLSA-N 0 0 328.416 1.586 10 30 EDEERN CCOC(=O)C[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1C ZINC000178660665 267578947 /nfs/dbraw/zinc/57/89/47/267578947.db2.gz AXWLXVSSZVZGID-AWEZNQCLSA-N 0 0 341.371 1.269 10 30 EDEERN NC1=C([N+](=O)[O-])[C@@]2(C(=O)Nc3ccccc32)C2=C(CCCC2=O)O1 ZINC000020530854 303360175 /nfs/dbraw/zinc/36/01/75/303360175.db2.gz BIWOZRLNDZXZPF-INIZCTEOSA-N 0 0 327.296 1.318 10 30 EDEERN O=C([C@@H]1CSC(c2cccc(O)c2O)=N1)N(O)CCc1c[nH]cn1 ZINC000014421808 441184413 /nfs/dbraw/zinc/18/44/13/441184413.db2.gz GBKVAPJMXMGXJK-NSHDSACASA-N 0 0 348.384 1.143 10 30 in-vitro EDEERN C=CCn1c2ccccc2n(CC(=O)N2CCCCC2)c(=O)c1=O ZINC000033268727 441594061 /nfs/dbraw/zinc/59/40/61/441594061.db2.gz RJXXGESYZSTRHQ-UHFFFAOYSA-N 0 0 327.384 1.362 10 30 EDEERN Cn1cc([C@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C2)cn1 ZINC000116371565 441816651 /nfs/dbraw/zinc/81/66/51/441816651.db2.gz ZOUPLPLKHSJDOK-HNNXBMFYSA-N 0 0 330.413 1.611 10 30 EDEERN C#CCOc1ccc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173529075 441780726 /nfs/dbraw/zinc/78/07/26/441780726.db2.gz WRBDCBGHUKWZGY-HNNXBMFYSA-N 0 0 326.356 1.339 10 30 EDEERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)CCCCC#N)C2)n1 ZINC000116899516 441859660 /nfs/dbraw/zinc/85/96/60/441859660.db2.gz CHXABJGYPIDBHH-OAHLLOKOSA-N 0 0 339.465 1.631 10 30 EDEERN N#Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCn2ncnc21 ZINC000125953340 442064042 /nfs/dbraw/zinc/06/40/42/442064042.db2.gz QUAZNPAGVSLQEH-NSHDSACASA-N 0 0 337.792 1.617 10 30 EDEERN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)c1C ZINC000152231550 442185163 /nfs/dbraw/zinc/18/51/63/442185163.db2.gz GZXUDRXZNLQQIE-ZUZCIYMTSA-N 0 0 337.383 1.824 10 30 EDEERN O=C(C#Cc1ccccc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000176237917 442198018 /nfs/dbraw/zinc/19/80/18/442198018.db2.gz AQBDYZCNLBUTNS-HXUWFJFHSA-N 0 0 334.419 1.916 10 30 EDEERN Cc1nnc([C@@H]2CN(Cc3ccc(O[C@@H](C)C#N)cc3)CCO2)[nH]1 ZINC000180109054 442542233 /nfs/dbraw/zinc/54/22/33/442542233.db2.gz AKFWEBQDPQYKKJ-LRDDRELGSA-N 0 0 327.388 1.978 10 30 EDEERN C=CCN(C)C(=O)c1c(C)oc2[nH]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000157394315 442578552 /nfs/dbraw/zinc/57/85/52/442578552.db2.gz JRLCUFFFOFUUSS-UHFFFAOYSA-N 0 0 339.351 1.838 10 30 EDEERN CCn1cc([C@H]2CN(C[C@H](O)c3ccc(C#N)cc3)CCO2)cn1 ZINC000190736595 443173743 /nfs/dbraw/zinc/17/37/43/443173743.db2.gz OEHWHXWWYHJGBO-ZWKOTPCHSA-N 0 0 326.400 1.882 10 30 EDEERN Cc1cc(NC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c(C#N)c(C)n1 ZINC000328631180 444403853 /nfs/dbraw/zinc/40/38/53/444403853.db2.gz KEKPPHGBLCMSED-HOCLYGCPSA-N 0 0 342.422 1.750 10 30 EDEERN C[C@H](NC(=O)CN1CCO[C@@H](c2nncn2C)C1)c1ccccc1 ZINC000328632544 444404623 /nfs/dbraw/zinc/40/46/23/444404623.db2.gz LJZHLNTWBYEYMG-DZGCQCFKSA-N 0 0 329.404 1.906 10 30 EDEERN COc1ccc(C#N)cc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328651435 444415245 /nfs/dbraw/zinc/41/52/45/444415245.db2.gz VWYZXNIAIROFCS-GFCCVEGCSA-N 0 0 327.344 1.386 10 30 EDEERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccc(C#N)cc1Br ZINC000596435446 449502674 /nfs/dbraw/zinc/50/26/74/449502674.db2.gz NRSBSTXFYNMDOH-RYUDHWBXSA-N 0 0 345.218 1.545 10 30 EDEERN O=S(=O)(N[C@H]1CCOC1)c1ccc(C#CCCO)cc1Cl ZINC000161847926 534871279 /nfs/dbraw/zinc/87/12/79/534871279.db2.gz CZYYXLNQVWYZJL-LBPRGKRZSA-N 0 0 329.805 1.141 10 30 EDEERN C=CCN(CCO)S(=O)(=O)c1sccc1Br ZINC000159184206 526274493 /nfs/dbraw/zinc/27/44/93/526274493.db2.gz HMCPLJSUYSKSED-UHFFFAOYSA-N 0 0 326.237 1.680 10 30 EDEERN C#CC(C)(C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1 ZINC000165405072 526660763 /nfs/dbraw/zinc/66/07/63/526660763.db2.gz DQAQGZNSZDJUNW-UHFFFAOYSA-N 0 0 345.218 1.238 10 30 EDEERN C=CCN(C1CC1)S(=O)(=O)c1cc(CO)oc1Br ZINC000166028174 527581089 /nfs/dbraw/zinc/58/10/89/527581089.db2.gz UQSGZUYEEZZOED-UHFFFAOYSA-N 0 0 336.207 1.874 10 30 EDEERN CC[C@@H](O)CN1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000164512569 529226427 /nfs/dbraw/zinc/22/64/27/529226427.db2.gz YRYPVRUQQJYGFQ-MRXNPFEDSA-N 0 0 345.443 1.631 10 30 EDEERN N#Cc1cccc(C2(C(=O)N[C@@H]3C[C@@H](O)C34CCOCC4)CC2)c1 ZINC000888094639 591024568 /nfs/dbraw/zinc/02/45/68/591024568.db2.gz GSAIKHXDCQAEKC-HZPDHXFCSA-N 0 0 326.396 1.636 10 30 EDEERN C=C(Br)CNC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112109656 596022100 /nfs/dbraw/zinc/02/21/00/596022100.db2.gz QIHZKBHSIDPRLB-GFCCVEGCSA-N 0 0 343.225 1.511 10 30 EDEERN C#CCOCCC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 ZINC000154948490 697263550 /nfs/dbraw/zinc/26/35/50/697263550.db2.gz IQAFXXHPTSYODD-OAHLLOKOSA-N 0 0 336.457 1.586 10 30 EDEERN C[C@H](C#N)NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000195442094 704722737 /nfs/dbraw/zinc/72/27/37/704722737.db2.gz MWPLWJYEQKZJKE-SSDOTTSWSA-N 0 0 331.191 1.494 10 30 EDEERN NC1=NN(c2ccccc2)C(=O)C1=NNc1ccc2c(c1)OCCO2 ZINC000100891340 219109967 /nfs/dbraw/zinc/10/99/67/219109967.db2.gz HPCYNCFMIAMDQB-HMMYKYKNSA-N 0 0 337.339 1.545 10 30 EDEERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000102102268 219186488 /nfs/dbraw/zinc/18/64/88/219186488.db2.gz MRWLQGUORVMADC-OAHLLOKOSA-N 0 0 342.399 1.404 10 30 EDEERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000076826801 216817554 /nfs/dbraw/zinc/81/75/54/216817554.db2.gz SJZJKXDSPKFXST-AWEZNQCLSA-N 0 0 339.392 1.840 10 30 EDEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000195117166 139007427 /nfs/dbraw/zinc/00/74/27/139007427.db2.gz SSBBSOGXCJCBQJ-NSHDSACASA-N 0 0 329.381 1.848 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3nccs3)C2)cc1 ZINC000111343505 220142189 /nfs/dbraw/zinc/14/21/89/220142189.db2.gz LHZZMGHWOGPOEQ-CYBMUJFWSA-N 0 0 335.410 1.777 10 30 EDEERN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247154732 139137901 /nfs/dbraw/zinc/13/79/01/139137901.db2.gz LVURXTZDWJSLMD-GOEBONIOSA-N 0 0 339.399 1.483 10 30 EDEERN CC[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CCN1CCOC ZINC000117372535 221058562 /nfs/dbraw/zinc/05/85/62/221058562.db2.gz DAQAAOPLPGMOBY-HNNXBMFYSA-N 0 0 337.445 1.290 10 30 EDEERN C[C@@H](C(=O)Nc1ccn(CCC#N)n1)N1C(=O)c2ccccc2C1=O ZINC000117714486 221084588 /nfs/dbraw/zinc/08/45/88/221084588.db2.gz IMOKUVXZFNGKJZ-NSHDSACASA-N 0 0 337.339 1.420 10 30 EDEERN N#Cc1cc(F)c(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c(F)c1 ZINC000119777900 221398906 /nfs/dbraw/zinc/39/89/06/221398906.db2.gz ONDVOTLLDSJJGV-LLVKDONJSA-N 0 0 331.326 1.980 10 30 EDEERN CC(C)[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113785199 441624802 /nfs/dbraw/zinc/62/48/02/441624802.db2.gz KWIATOODYCRGNA-DOMZBBRYSA-N 0 0 342.399 1.924 10 30 EDEERN CC(=O)N[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173540168 441784426 /nfs/dbraw/zinc/78/44/26/441784426.db2.gz DZPQGODMPQZZPV-HNNXBMFYSA-N 0 0 325.372 1.709 10 30 EDEERN Cc1nnc([C@@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)[nH]1 ZINC000175365403 442050382 /nfs/dbraw/zinc/05/03/82/442050382.db2.gz UVFYXUGQCMCNCT-AWEZNQCLSA-N 0 0 326.360 1.268 10 30 EDEERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C2)cn1 ZINC000175988049 442157287 /nfs/dbraw/zinc/15/72/87/442157287.db2.gz XDOHWJBFKWHOFV-NSHDSACASA-N 0 0 341.346 1.385 10 30 EDEERN C#C[C@H](C)NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 ZINC000186070638 442457048 /nfs/dbraw/zinc/45/70/48/442457048.db2.gz GBXGQTPPQQSLBH-GOEBONIOSA-N 0 0 336.457 1.826 10 30 EDEERN CCn1cc([C@H]2CN(Cc3cnc4ccc(C#N)cn34)CCO2)cn1 ZINC000191696557 442492111 /nfs/dbraw/zinc/49/21/11/442492111.db2.gz BBXHZHYLEOXENW-QGZVFWFLSA-N 0 0 336.399 1.996 10 30 EDEERN C=CCCO[C@@H](C)C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000172533693 442483354 /nfs/dbraw/zinc/48/33/54/442483354.db2.gz QLZSJMAAQQXDHK-AWEZNQCLSA-N 0 0 348.447 1.963 10 30 EDEERN C[C@](C#N)(NC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1)C1CC1 ZINC000249545043 442984842 /nfs/dbraw/zinc/98/48/42/442984842.db2.gz FYLWPXCUTQLMJN-JLJPHGGASA-N 0 0 333.457 1.564 10 30 EDEERN COc1ccc(-n2nc(C#N)c(N3CCCC[C@@H]3CCO)n2)cc1 ZINC000256046803 443115606 /nfs/dbraw/zinc/11/56/06/443115606.db2.gz IDQYLEJHVPWCPR-CYBMUJFWSA-N 0 0 327.388 1.889 10 30 EDEERN CCO[C@@H]1C[C@H](NS(=O)(=O)CCCCC#N)C12CCOCC2 ZINC000185153720 443149211 /nfs/dbraw/zinc/14/92/11/443149211.db2.gz IFVCRWGOTNDDPR-UONOGXRCSA-N 0 0 330.450 1.574 10 30 EDEERN COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000185689164 443239339 /nfs/dbraw/zinc/23/93/39/443239339.db2.gz PKVMNJNOSVRLPV-CQSZACIVSA-N 0 0 346.412 1.617 10 30 EDEERN N#Cc1cc(F)c(N2CCOC[C@@H]2C(N)=O)cc1Br ZINC000382103385 319123534 /nfs/dbraw/zinc/12/35/34/319123534.db2.gz PLWZZZBDLQRVSF-LLVKDONJSA-N 0 0 328.141 1.150 10 30 EDEERN CCc1nnc2n1CCN(C1CN(C(=O)c3ccc(C#N)cc3)C1)C2 ZINC000328627847 444401690 /nfs/dbraw/zinc/40/16/90/444401690.db2.gz GQGZZWJEMHVXAC-UHFFFAOYSA-N 0 0 336.399 1.052 10 30 EDEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186176061 534257249 /nfs/dbraw/zinc/25/72/49/534257249.db2.gz ZOKAETLGRXABMA-UHFFFAOYSA-N 0 0 333.413 1.156 10 30 EDEERN COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)O[C@H](CC(C)=O)C[C@H]3O ZINC000015204286 522648504 /nfs/dbraw/zinc/64/85/04/522648504.db2.gz XCCPWOLOVUKRKJ-HTQZYQBOSA-N 0 0 348.307 1.171 10 30 EDEERN N#CCc1ccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000111715221 534723701 /nfs/dbraw/zinc/72/37/01/534723701.db2.gz LFTJLZUOVMTMKT-INIZCTEOSA-N 0 0 325.372 1.882 10 30 EDEERN C=CCNc1ncc(C(=O)N[C@@H]2CCc3nc(CC)nn3C2)s1 ZINC000128979293 526682820 /nfs/dbraw/zinc/68/28/20/526682820.db2.gz WCSDRZDMEUWMNM-SNVBAGLBSA-N 0 0 332.433 1.640 10 30 EDEERN C#CCN(CC)S(=O)(=O)c1cc(N)c(F)cc1Br ZINC000164420832 526898015 /nfs/dbraw/zinc/89/80/15/526898015.db2.gz IHFHRTFPQYRHCY-UHFFFAOYSA-N 0 0 335.198 1.814 10 30 EDEERN C#CCSCCNC(=O)[C@H](NC(=O)c1ccccc1OC)C(C)C ZINC000130071261 527148052 /nfs/dbraw/zinc/14/80/52/527148052.db2.gz RAMNWYVGRMXBGF-MRXNPFEDSA-N 0 0 348.468 1.932 10 30 EDEERN CC(C)OCCNS(=O)(=O)c1ccc(C#CCO)cc1Cl ZINC000161119385 527976770 /nfs/dbraw/zinc/97/67/70/527976770.db2.gz GOXRYHAYJRVPEV-UHFFFAOYSA-N 0 0 331.821 1.387 10 30 EDEERN CCOCCN1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000117283904 595614922 /nfs/dbraw/zinc/61/49/22/595614922.db2.gz MZOLUXALHYFKFZ-MRXNPFEDSA-N 0 0 345.443 1.701 10 30 EDEERN C=CCn1c(C2CC2)nn(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1=S ZINC000120225943 596347661 /nfs/dbraw/zinc/34/76/61/596347661.db2.gz JGWXQHDSZWTUFS-ZYHUDNBSSA-N 0 0 337.449 1.010 10 30 EDEERN Cc1noc([C@H]2CC(=O)N(C3CN(c4ccc(C#N)c(C)n4)C3)C2)n1 ZINC000864307985 596827831 /nfs/dbraw/zinc/82/78/31/596827831.db2.gz JNXHGHFUQURFKU-ZDUSSCGKSA-N 0 0 338.371 1.158 10 30 EDEERN C=CC[N@@+]1([O-])CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5 ZINC000257354940 717178053 /nfs/dbraw/zinc/17/80/53/717178053.db2.gz GAUIBVINJLVYRY-RBUQIHAASA-N 0 0 343.379 1.314 10 30 EDEERN CCNc1ncc(Br)cc1S(=O)(=O)N(C)CCC#N ZINC000050634754 214061959 /nfs/dbraw/zinc/06/19/59/214061959.db2.gz UCUHKDYAPSNHRZ-UHFFFAOYSA-N 0 0 347.238 1.810 10 30 EDEERN N#Cc1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)c(F)c1 ZINC000173908814 231067595 /nfs/dbraw/zinc/06/75/95/231067595.db2.gz TWUNIKXSKOGKLV-OAHLLOKOSA-N 0 0 332.379 1.313 10 30 EDEERN CCc1nnc([C@@H]2CN(C(=O)NCc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000177927561 529698989 /nfs/dbraw/zinc/69/89/89/529698989.db2.gz GOWTYPPKLUATTK-AWEZNQCLSA-N 0 0 340.387 1.522 10 30 EDEERN O=C(C#Cc1ccccc1)N1CCN(c2nccc3c2C(=O)NC3)CC1 ZINC000038343130 213207615 /nfs/dbraw/zinc/20/76/15/213207615.db2.gz RJNDOQHICGSELD-UHFFFAOYSA-N 0 0 346.390 1.025 10 30 EDEERN C[C@H](O)C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000184576060 138796008 /nfs/dbraw/zinc/79/60/08/138796008.db2.gz PWKXGUZQOXJAPV-LBPRGKRZSA-N 0 0 340.387 1.764 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccccn3)C2)cc1 ZINC000238956075 139070146 /nfs/dbraw/zinc/07/01/46/139070146.db2.gz XYXINNAIBOVAIO-AWEZNQCLSA-N 0 0 329.381 1.795 10 30 EDEERN Cc1ccc(C#CCO)cc1S(=O)(=O)NC1CCSCC1 ZINC000136584404 223655004 /nfs/dbraw/zinc/65/50/04/223655004.db2.gz PGMMCYKIKVFWNG-UHFFFAOYSA-N 0 0 325.455 1.513 10 30 EDEERN C[C@@H](CC(=O)NCCc1nnc2n1CCCC2)N1CCCCC1=O ZINC000328720061 249804046 /nfs/dbraw/zinc/80/40/46/249804046.db2.gz VWURQQXRRWSSLU-ZDUSSCGKSA-N 0 0 333.436 1.905 10 30 EDEERN O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)N1CC(O)(C2CC2)C1 ZINC000329388047 249839804 /nfs/dbraw/zinc/83/98/04/249839804.db2.gz REPQRWIRPCEQIQ-CQSZACIVSA-N 0 0 347.390 1.692 10 30 EDEERN C[C@H](NC(=O)c1cc(C#N)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000084258293 267408064 /nfs/dbraw/zinc/40/80/64/267408064.db2.gz WOZIUMDYOTWETG-VIFPVBQESA-N 0 0 335.410 1.758 10 30 EDEERN COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000015568409 441205584 /nfs/dbraw/zinc/20/55/84/441205584.db2.gz NPTFPDHLGSBJBB-UHFFFAOYSA-N 0 0 345.380 1.484 10 30 EDEERN Cn1cc([C@H]2CCCN2S(=O)(=O)Cc2cccc(C#N)c2)cn1 ZINC000108400353 441451135 /nfs/dbraw/zinc/45/11/35/441451135.db2.gz CKJRYROEGSMRRM-MRXNPFEDSA-N 0 0 330.413 1.959 10 30 EDEERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)CCO2)c1 ZINC000112104001 441544474 /nfs/dbraw/zinc/54/44/74/441544474.db2.gz UNXYLZNXXDYZQV-INIZCTEOSA-N 0 0 325.372 1.996 10 30 EDEERN COC(=O)c1ccc(CC[C@H](OS(C)(=O)=O)C(OC)OC)cc1 ZINC000038986262 441616499 /nfs/dbraw/zinc/61/64/99/441616499.db2.gz WCWURXVSOMZKJH-ZDUSSCGKSA-N 0 0 346.401 1.370 10 30 EDEERN C=CCOc1ccccc1C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173526890 441778851 /nfs/dbraw/zinc/77/88/51/441778851.db2.gz POCINDHQEWFZHH-HNNXBMFYSA-N 0 0 328.372 1.892 10 30 EDEERN COC(=O)n1ncc2c1cccc2NC(=O)ON1C(=O)CCC1=O ZINC000117333958 441870488 /nfs/dbraw/zinc/87/04/88/441870488.db2.gz NYGYORXJYHUSOR-UHFFFAOYSA-N 0 0 332.272 1.263 10 30 EDEERN N#C[C@@H]1CCCC[C@@H]1OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000078612107 441949430 /nfs/dbraw/zinc/94/94/30/441949430.db2.gz SHDBRQZEMDZCIF-WFASDCNBSA-N 0 0 341.367 1.705 10 30 EDEERN Cc1nnc([C@H]2CN(C(=O)NCc3ccc(C#N)cc3F)CCO2)[nH]1 ZINC000175510232 442078355 /nfs/dbraw/zinc/07/83/55/442078355.db2.gz JYLBGADJISYUKP-CQSZACIVSA-N 0 0 344.350 1.407 10 30 EDEERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C#N)cn2C)ncn1 ZINC000176198295 442189572 /nfs/dbraw/zinc/18/95/72/442189572.db2.gz ITHVETVIMZHABE-CYBMUJFWSA-N 0 0 339.403 1.127 10 30 EDEERN O=C(C#Cc1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000176237906 442198113 /nfs/dbraw/zinc/19/81/13/442198113.db2.gz AQBDYZCNLBUTNS-FQEVSTJZSA-N 0 0 334.419 1.916 10 30 EDEERN N#CC1(NC(=O)CN2CC[C@H](Oc3cccnc3)C2)CCCCC1 ZINC000152554011 442225288 /nfs/dbraw/zinc/22/52/88/442225288.db2.gz AUMCWCFDRRTBHC-INIZCTEOSA-N 0 0 328.416 1.877 10 30 EDEERN N#Cc1ccc(OCCNC(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000177339354 442329954 /nfs/dbraw/zinc/32/99/54/442329954.db2.gz NDRKTNACEMOQNB-AWEZNQCLSA-N 0 0 326.360 1.363 10 30 EDEERN Cc1nc(CN2CCCN(C(=O)C3(C#N)CCOCC3)CC2)cs1 ZINC000171764536 442379034 /nfs/dbraw/zinc/37/90/34/442379034.db2.gz VNLYPKXGVWXQLL-UHFFFAOYSA-N 0 0 348.472 1.806 10 30 EDEERN CCc1nc(C2(NS(=O)(=O)c3ccc(C#N)nc3)CCCC2)no1 ZINC000177609327 442362616 /nfs/dbraw/zinc/36/26/16/442362616.db2.gz RNQRVTZJXLQDCN-UHFFFAOYSA-N 0 0 347.400 1.646 10 30 EDEERN C=CCCO[C@H](C)C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000172533699 442483484 /nfs/dbraw/zinc/48/34/84/442483484.db2.gz QLZSJMAAQQXDHK-CQSZACIVSA-N 0 0 348.447 1.963 10 30 EDEERN C#CCSCCNC(=O)N1CCO[C@@H](c2nc(C)cs2)C1 ZINC000194260285 442868040 /nfs/dbraw/zinc/86/80/40/442868040.db2.gz GEOBWGJABULDGH-GFCCVEGCSA-N 0 0 325.459 1.901 10 30 EDEERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000189189430 442894519 /nfs/dbraw/zinc/89/45/19/442894519.db2.gz DYOXPNLLBODGRT-GXTWGEPZSA-N 0 0 348.384 1.400 10 30 EDEERN COc1ccc(S(=O)(=O)NN=Cc2ccccc2O)cc1OC ZINC000254816944 443077221 /nfs/dbraw/zinc/07/72/21/443077221.db2.gz NGEGGJKSGKTBNU-UHFFFAOYSA-N 0 0 336.369 1.722 10 30 EDEERN COCC(=O)N[C@@H]1CCC12CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000257196246 443123387 /nfs/dbraw/zinc/12/33/87/443123387.db2.gz XWFKGIVWENSAHY-MRXNPFEDSA-N 0 0 341.411 1.706 10 30 EDEERN C#CCN(C)C(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 ZINC000191083973 443238535 /nfs/dbraw/zinc/23/85/35/443238535.db2.gz LUVVYLCGYHQMPH-MRXNPFEDSA-N 0 0 336.457 1.780 10 30 EDEERN Cc1ccncc1NC(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000328629845 444402776 /nfs/dbraw/zinc/40/27/76/444402776.db2.gz IRYHFIHUGSNKJE-LBPRGKRZSA-N 0 0 328.376 1.881 10 30 EDEERN Cc1ccc([C@H]2C(=O)C3=C(OCC(=NCCN(C)C)N3)C2=O)cc1F ZINC000584654781 448590384 /nfs/dbraw/zinc/59/03/84/448590384.db2.gz LOOONIQHLZPWKO-AWEZNQCLSA-N 0 0 345.374 1.161 10 30 EDEERN COc1ccc(C2=NO[C@@H]3[C@H]4CO[C@H](O4)C(=NNC(C)=S)[C@H]23)cc1 ZINC000575118857 449039303 /nfs/dbraw/zinc/03/93/03/449039303.db2.gz WKUKFHWOJANEEF-NOXHYTERSA-N 0 0 347.396 1.462 10 30 EDEERN CC1(C)CN(S(=O)(=O)c2ccccc2C#CCO)CCS1 ZINC000159030395 529128004 /nfs/dbraw/zinc/12/80/04/529128004.db2.gz YMDFYERONUNQRM-UHFFFAOYSA-N 0 0 325.455 1.547 10 30 EDEERN CCOCCN1CCN(C(=O)Cc2cccc(OCC#N)c2)C[C@@H]1C ZINC000127997613 597714068 /nfs/dbraw/zinc/71/40/68/597714068.db2.gz DXOOZKFWJYJQQE-INIZCTEOSA-N 0 0 345.443 1.701 10 30 EDEERN CCc1nnc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3C#N)CCO2)[nH]1 ZINC000131667651 529700901 /nfs/dbraw/zinc/70/09/01/529700901.db2.gz RWRMPLOZBIADCJ-ZDUSSCGKSA-N 0 0 328.332 1.725 10 30 EDEERN N#Cc1cccnc1NCCS(=O)(=O)N1CCc2ccccc21 ZINC000040520255 213332552 /nfs/dbraw/zinc/33/25/52/213332552.db2.gz OVFFFBDLPVBVCH-UHFFFAOYSA-N 0 0 328.397 1.758 10 30 EDEERN CCOC(=O)CN1C(=O)c2cc(OC)c(OC)c(OC)c2C1C#N ZINC000071682261 215794628 /nfs/dbraw/zinc/79/46/28/215794628.db2.gz NVXKCJRWNZWQQQ-JTQLQIEISA-N 0 0 334.328 1.296 10 30 EDEERN Cn1cc([C@H]2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000246880251 139125331 /nfs/dbraw/zinc/12/53/31/139125331.db2.gz FXQUAUALWMKFOD-YOEHRIQHSA-N 0 0 349.394 1.413 10 30 EDEERN Cc1nc2c(cnn2C)c(N2CCN(Cc3ccc(C#N)o3)CC2)n1 ZINC000093273275 218210501 /nfs/dbraw/zinc/21/05/01/218210501.db2.gz HEENOJHXPZQLBE-UHFFFAOYSA-N 0 0 337.387 1.459 10 30 EDEERN COCCN1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000105832034 532961657 /nfs/dbraw/zinc/96/16/57/532961657.db2.gz BEEPULRHNVGJRT-QGZVFWFLSA-N 0 0 344.459 1.586 10 30 EDEERN COCCN1CCN(C(=O)CSc2ccc(C#N)cc2)C[C@H]1C ZINC000117292317 221045469 /nfs/dbraw/zinc/04/54/69/221045469.db2.gz UGTDMKJPEVWPGF-CQSZACIVSA-N 0 0 333.457 1.829 10 30 EDEERN Cc1cnn(CCNC(=O)N2CCN(c3ccccc3C#N)CC2)c1 ZINC000118081277 221112987 /nfs/dbraw/zinc/11/29/87/221112987.db2.gz HXBSCBDGDHOAHC-UHFFFAOYSA-N 0 0 338.415 1.595 10 30 EDEERN C[C@@H](C(=O)Nc1cc(C#CCCO)ccc1Cl)S(C)(=O)=O ZINC000168862913 226224426 /nfs/dbraw/zinc/22/44/26/226224426.db2.gz BUJLZYAINAJOAY-JTQLQIEISA-N 0 0 329.805 1.446 10 30 EDEERN Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1C#N ZINC000123161726 222226238 /nfs/dbraw/zinc/22/62/38/222226238.db2.gz SVZFBGGEHOHBFR-KUHUBIRLSA-N 0 0 341.411 1.959 10 30 EDEERN CC(C)Oc1ccc(Br)cc1/C=N/n1nnnc1N ZINC000000859433 440835788 /nfs/dbraw/zinc/83/57/88/440835788.db2.gz UDQYHPBOYUNOBT-MKMNVTDBSA-N 0 0 325.170 1.687 10 30 EDEERN N#Cc1cccc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)c1 ZINC000105888829 441307765 /nfs/dbraw/zinc/30/77/65/441307765.db2.gz KUQYFXZVNJSMIT-INIZCTEOSA-N 0 0 325.372 1.094 10 30 EDEERN N#Cc1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)c(F)c1 ZINC000111859223 441542929 /nfs/dbraw/zinc/54/29/29/441542929.db2.gz UMLKNTARKGLVDX-HNNXBMFYSA-N 0 0 343.362 1.504 10 30 EDEERN CC(C)(C#N)C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000117311795 441869084 /nfs/dbraw/zinc/86/90/84/441869084.db2.gz VJLLXMBQALEDQL-HNNXBMFYSA-N 0 0 331.416 1.120 10 30 EDEERN CC[C@H](C#N)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000160805008 441923138 /nfs/dbraw/zinc/92/31/38/441923138.db2.gz DKZTWRAWUXTFGJ-MRVPVSSYSA-N 0 0 336.822 1.324 10 30 EDEERN C=CCCS(=O)(=O)N1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000120545870 442092471 /nfs/dbraw/zinc/09/24/71/442092471.db2.gz MYONDQWKLWZGBY-GFCCVEGCSA-N 0 0 328.438 1.217 10 30 EDEERN Cn1cc([C@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)cn1 ZINC000176247626 442200128 /nfs/dbraw/zinc/20/01/28/442200128.db2.gz GGYQSESLGAHJFL-HNNXBMFYSA-N 0 0 344.440 1.555 10 30 EDEERN COCCN1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@@H]1C ZINC000152476008 442217490 /nfs/dbraw/zinc/21/74/90/442217490.db2.gz XXXKHPMLXWAQTE-HNNXBMFYSA-N 0 0 345.443 1.895 10 30 EDEERN CCn1cc(CN2CCCN(C(=O)NCCCCC#N)CC2)cn1 ZINC000171853442 442384921 /nfs/dbraw/zinc/38/49/21/442384921.db2.gz UEGSAIAGCFKTAS-UHFFFAOYSA-N 0 0 332.452 1.814 10 30 EDEERN Cc1noc([C@@H]2COCCN2C(=O)COc2ccccc2C#N)n1 ZINC000155483918 442401818 /nfs/dbraw/zinc/40/18/18/442401818.db2.gz CAQUMQYSUFGUHK-ZDUSSCGKSA-N 0 0 328.328 1.229 10 30 EDEERN C=C(C)COCCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000133046985 442405454 /nfs/dbraw/zinc/40/54/54/442405454.db2.gz KZZVGUIKAWLGHJ-BBRMVZONSA-N 0 0 329.462 1.894 10 30 EDEERN CNC(=O)[C@H](NC(=O)N(CCOC)Cc1ccc(C#N)cc1)C(C)C ZINC000178400345 442430348 /nfs/dbraw/zinc/43/03/48/442430348.db2.gz UXGYSSACGKFGDB-MRXNPFEDSA-N 0 0 346.431 1.487 10 30 EDEERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000179081991 442567970 /nfs/dbraw/zinc/56/79/70/442567970.db2.gz ITPGDBLZSDIKRD-GFCCVEGCSA-N 0 0 336.779 1.037 10 30 EDEERN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)nn2)CC1 ZINC000192269438 442625110 /nfs/dbraw/zinc/62/51/10/442625110.db2.gz FMCCXZYBQKCNBY-HNNXBMFYSA-N 0 0 345.447 1.981 10 30 EDEERN N#Cc1ccc(C2(C(=O)N3CC[C@H](N4CCOCC4)C3)CC2)cc1 ZINC000187444686 442677452 /nfs/dbraw/zinc/67/74/52/442677452.db2.gz SQAZQINDNFMTBV-KRWDZBQOSA-N 0 0 325.412 1.523 10 30 EDEERN CN(C[C@H](O)COCc1ccccc1)C(=O)c1ccnc(C#N)c1 ZINC000193426974 442741486 /nfs/dbraw/zinc/74/14/86/442741486.db2.gz PJXTVZWTLJZZEQ-KRWDZBQOSA-N 0 0 325.368 1.603 10 30 EDEERN C=C(C)[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)c1ccc(F)c(F)c1 ZINC000193864490 442801727 /nfs/dbraw/zinc/80/17/27/442801727.db2.gz IAXDXUIONYTXMV-WQVCFCJDSA-N 0 0 338.354 1.680 10 30 EDEERN C[C@H](C#N)CNC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248437043 442891391 /nfs/dbraw/zinc/89/13/91/442891391.db2.gz GRJOBEMIQSIVNI-RDBSUJKOSA-N 0 0 336.461 1.969 10 30 EDEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000184908238 443095880 /nfs/dbraw/zinc/09/58/80/443095880.db2.gz RZFOJUAPZCGSJU-ZIAGYGMSSA-N 0 0 330.384 1.304 10 30 EDEERN CC(Cc1ccccc1)N=Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000263631561 443234346 /nfs/dbraw/zinc/23/43/46/443234346.db2.gz AXNZSHPJNHRDND-UHFFFAOYSA-N 0 0 340.387 1.001 10 30 EDEERN C#CCSCCNC(=O)N[C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000185747361 443249736 /nfs/dbraw/zinc/24/97/36/443249736.db2.gz VQTCOVZIXRFZMR-ZIAGYGMSSA-N 0 0 326.462 1.626 10 30 EDEERN O=C(NCc1ccco1)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328640206 444409218 /nfs/dbraw/zinc/40/92/18/444409218.db2.gz PVSJJXGHMIJCEE-KBPBESRZSA-N 0 0 333.367 1.686 10 30 EDEERN CN(C[C@@H]1C[C@H](F)CN1c1cccnn1)C(=O)Nc1cccnc1 ZINC000328655425 444417362 /nfs/dbraw/zinc/41/73/62/444417362.db2.gz YKFCJCVCVWHALK-JSGCOSHPSA-N 0 0 330.367 1.966 10 30 EDEERN CNC(=O)c1ccn([C@@H]2CCCN(c3cc(C)nc(C)c3C#N)C2)n1 ZINC000328617381 444395645 /nfs/dbraw/zinc/39/56/45/444395645.db2.gz CQDZQQMTBZVWDA-CQSZACIVSA-N 0 0 338.415 1.968 10 30 EDEERN N#Cc1cccc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)c1 ZINC000583615184 448440343 /nfs/dbraw/zinc/44/03/43/448440343.db2.gz PNJJKPFFJQFERM-IRXDYDNUSA-N 0 0 339.374 1.691 10 30 EDEERN CC(C)n1cc([C@]2(O)CCN(Cc3ccc(F)cc3C#N)C2)nn1 ZINC000583618145 448447013 /nfs/dbraw/zinc/44/70/13/448447013.db2.gz GATXWHXQMNOCMR-KRWDZBQOSA-N 0 0 329.379 1.963 10 30 EDEERN CCN(CCc1cncc(C#N)n1)C(=O)c1ccccc1-n1nccn1 ZINC000584592765 448582109 /nfs/dbraw/zinc/58/21/09/448582109.db2.gz PEFRYTRIZMFWFS-UHFFFAOYSA-N 0 0 347.382 1.634 10 30 EDEERN N#CC1(CS(=O)(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000166126194 534556051 /nfs/dbraw/zinc/55/60/51/534556051.db2.gz YQFRVOANAYMSGL-FZMZJTMJSA-N 0 0 342.367 1.706 10 30 EDEERN C=CCN(CCO)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000158727900 526274456 /nfs/dbraw/zinc/27/44/56/526274456.db2.gz ZQAOCRHFEUZNCV-UHFFFAOYSA-N 0 0 325.308 1.754 10 30 EDEERN C=C(C)COCCNC(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000131285669 526640687 /nfs/dbraw/zinc/64/06/87/526640687.db2.gz RYAVHTKMPGFGLF-AWEZNQCLSA-N 0 0 348.451 1.379 10 30 EDEERN C=CCn1ncc(NCCC[S@@](C)=O)c(Br)c1=O ZINC000158733998 527390565 /nfs/dbraw/zinc/39/05/65/527390565.db2.gz UCIIPDWBAAKTIZ-SFHVURJKSA-N 0 0 334.239 1.372 10 30 EDEERN CCOc1ccc(C#N)cc1NC(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000181183706 528378714 /nfs/dbraw/zinc/37/87/14/528378714.db2.gz UXZVLDZOMFBBDE-OAHLLOKOSA-N 0 0 346.431 1.877 10 30 EDEERN CCn1cnnc1[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2F)CCO1 ZINC000888364537 593035603 /nfs/dbraw/zinc/03/56/03/593035603.db2.gz FFDGBFYGVXTHFD-AWEZNQCLSA-N 0 0 344.350 1.914 10 30 EDEERN N#Cc1ncccc1N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 ZINC000818146168 593674671 /nfs/dbraw/zinc/67/46/71/593674671.db2.gz PFQGFZGROPCHSL-QGZVFWFLSA-N 0 0 325.372 1.788 10 30 EDEERN C#Cc1cccc(NC(=O)C(=O)N2CCN(CCOCC)[C@H](C)C2)c1 ZINC000117521483 595703000 /nfs/dbraw/zinc/70/30/00/595703000.db2.gz SEWBVFNFCGLXEP-OAHLLOKOSA-N 0 0 343.427 1.176 10 30 EDEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000131205873 597684665 /nfs/dbraw/zinc/68/46/65/597684665.db2.gz PXQOIHHTZFJJTM-KRWDZBQOSA-N 0 0 340.431 1.345 10 30 EDEERN N#Cc1ccsc1C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130154428 598060899 /nfs/dbraw/zinc/06/08/99/598060899.db2.gz YOVWPUMLPTUJGD-STQMWFEESA-N 0 0 347.352 1.352 10 30 EDEERN Cc1nc(CN2CCCN(C(=O)Nc3ccc(C#N)cc3)CC2)no1 ZINC000174311051 231174254 /nfs/dbraw/zinc/17/42/54/231174254.db2.gz ZSYFJAQDFWTUJB-UHFFFAOYSA-N 0 0 340.387 1.990 10 30 EDEERN COc1cccc(Nc2ncnc(N(CC#N)CC#N)c2[N+](=O)[O-])c1 ZINC000040586797 213355117 /nfs/dbraw/zinc/35/51/17/213355117.db2.gz FGJORYSKXQPLIM-UHFFFAOYSA-N 0 0 339.315 1.991 10 30 EDEERN C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 ZINC000072647422 138208736 /nfs/dbraw/zinc/20/87/36/138208736.db2.gz BCPDKRKNKCHREQ-XHDPSFHLSA-N 0 0 340.383 1.678 10 30 EDEERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2cc(C#N)ccc2C)n1 ZINC000183745439 138787583 /nfs/dbraw/zinc/78/75/83/138787583.db2.gz XPJACKCUYWNVDX-CYBMUJFWSA-N 0 0 348.384 1.320 10 30 EDEERN N#Cc1ccccc1OCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110886620 220075716 /nfs/dbraw/zinc/07/57/16/220075716.db2.gz USMVZSVYHMVQBR-CQSZACIVSA-N 0 0 329.381 1.994 10 30 EDEERN C[C@@H]1CCCCN1S(=O)(=O)NCc1sccc1C#CCO ZINC000148720933 223725427 /nfs/dbraw/zinc/72/54/27/223725427.db2.gz XQGTUPDQAUXQMB-GFCCVEGCSA-N 0 0 328.459 1.301 10 30 EDEERN COCCN1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)C[C@H]2C)C1=O ZINC000503716396 257833271 /nfs/dbraw/zinc/83/32/71/257833271.db2.gz LMLAUHTWVJAETI-KUHUBIRLSA-N 0 0 341.411 1.515 10 30 EDEERN COc1ccc(C#N)cc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000159903604 533270139 /nfs/dbraw/zinc/27/01/39/533270139.db2.gz DGSDZNTUIHGPTB-UHFFFAOYSA-N 0 0 349.398 1.327 10 30 EDEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C#N)cc1C ZINC000130566225 148931113 /nfs/dbraw/zinc/93/11/13/148931113.db2.gz YHFPWSXKJPVFEO-AWEZNQCLSA-N 0 0 325.372 1.870 10 30 EDEERN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123039811 222205696 /nfs/dbraw/zinc/20/56/96/222205696.db2.gz DTMXMJBWIYTWQF-FZKQIMNGSA-N 0 0 345.374 1.789 10 30 EDEERN C=CCC[C@H](CN(C)CC(=O)N(C)C)Oc1cc(C)nc(N(C)C)n1 ZINC000072453581 441232699 /nfs/dbraw/zinc/23/26/99/441232699.db2.gz YZDQVBVKQZCAQT-OAHLLOKOSA-N 0 0 349.479 1.585 10 30 EDEERN Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121713459 441764742 /nfs/dbraw/zinc/76/47/42/441764742.db2.gz NXAHJFJWIPGONW-GFCCVEGCSA-N 0 0 345.428 1.834 10 30 EDEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](c2nncn2CC)C1 ZINC000161348527 441988672 /nfs/dbraw/zinc/98/86/72/441988672.db2.gz URXFYAFAULIGMZ-GJZGRUSLSA-N 0 0 332.452 1.486 10 30 EDEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000162033915 442057589 /nfs/dbraw/zinc/05/75/89/442057589.db2.gz WGHONTKGTQXNHY-MRXNPFEDSA-N 0 0 343.427 1.649 10 30 EDEERN CN1CCO[C@H](CNC(=O)NCCSCc2ccccc2C#N)C1 ZINC000170921025 442289702 /nfs/dbraw/zinc/28/97/02/442289702.db2.gz YUJSQAFVOSVTDY-MRXNPFEDSA-N 0 0 348.472 1.421 10 30 EDEERN N#Cc1ccc(OCCNC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000177339342 442329964 /nfs/dbraw/zinc/32/99/64/442329964.db2.gz NDRKTNACEMOQNB-CQSZACIVSA-N 0 0 326.360 1.363 10 30 EDEERN Cc1oc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)c(C#N)c1C ZINC000177220844 442315021 /nfs/dbraw/zinc/31/50/21/442315021.db2.gz IWZLBBCHZCBLNG-BLLLJJGKSA-N 0 0 346.431 1.359 10 30 EDEERN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cc1Cl ZINC000177552425 442356789 /nfs/dbraw/zinc/35/67/89/442356789.db2.gz DAZQLMRBGMKSAG-FZMZJTMJSA-N 0 0 335.791 1.817 10 30 EDEERN C=CCSCCNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000172144584 442415052 /nfs/dbraw/zinc/41/50/52/442415052.db2.gz IBDIAFYUAGFBPM-UHFFFAOYSA-N 0 0 337.493 1.557 10 30 EDEERN N#Cc1ccc(CN(C(=O)N[C@H]2CCc3ncnn3C2)C2CC2)cc1 ZINC000172604422 442501885 /nfs/dbraw/zinc/50/18/85/442501885.db2.gz LSLBGEMHIGNBOT-HNNXBMFYSA-N 0 0 336.399 1.839 10 30 EDEERN C[C@H](NS(=O)(=O)CC1(C#N)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000180394682 442593219 /nfs/dbraw/zinc/59/32/19/442593219.db2.gz WRNUMLKMINTHJU-NSHDSACASA-N 0 0 342.442 1.374 10 30 EDEERN C=CCC[C@@H](C(=O)NC[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000188174862 442720760 /nfs/dbraw/zinc/72/07/60/442720760.db2.gz SCDPNYSLNPSSJN-ZWKOTPCHSA-N 0 0 332.444 1.546 10 30 EDEERN C[C@@H]1C(=O)NCCCN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000188949948 442847538 /nfs/dbraw/zinc/84/75/38/442847538.db2.gz KAZHZZLDJXLFJM-CQSZACIVSA-N 0 0 329.400 1.844 10 30 EDEERN Cc1cnn(C[C@H]2CN(C(=O)c3cccc(F)c3C#N)CCO2)c1 ZINC000189456962 442959311 /nfs/dbraw/zinc/95/93/11/442959311.db2.gz DFHZCDYYVQZJCZ-CYBMUJFWSA-N 0 0 328.347 1.744 10 30 EDEERN Cc1cc(N[C@H]2CCCN(c3nccn(C)c3=O)C2)c(C#N)c(C)n1 ZINC000328636916 444406569 /nfs/dbraw/zinc/40/65/69/444406569.db2.gz VUGJUCZISCDEFP-AWEZNQCLSA-N 0 0 338.415 1.167 10 30 EDEERN C[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)C[C@H]1N1CCOCC1 ZINC000128770394 534308194 /nfs/dbraw/zinc/30/81/94/534308194.db2.gz YGDZAZWDKWZPQO-CRAIPNDOSA-N 0 0 343.427 1.311 10 30 EDEERN CCNc1nc(N=NCc2ccc(OC)c(O)c2)nc(NCC)n1 ZINC000057417368 520357978 /nfs/dbraw/zinc/35/79/78/520357978.db2.gz KFJFFGCXSSKIHL-GIJQJNRQSA-N 0 0 331.380 1.895 10 30 EDEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105807218 528618635 /nfs/dbraw/zinc/61/86/35/528618635.db2.gz AYPXCISIUULPAQ-HNNXBMFYSA-N 0 0 344.463 1.385 10 30 EDEERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@H](C#N)C1 ZINC000106052914 529255496 /nfs/dbraw/zinc/25/54/96/529255496.db2.gz FGCZMSNNXBFIKK-IMJJTQAJSA-N 0 0 329.400 1.582 10 30 EDEERN CCN1C(=O)CS/C1=N\c1cccc(C(=O)N2CCOCC2)c1 ZINC000218707411 535433325 /nfs/dbraw/zinc/43/33/25/535433325.db2.gz TULJBWVGGDXUPC-MSUUIHNZSA-N 0 0 333.413 1.742 10 30 EDEERN CCOCCN1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@@H]1C ZINC000247239726 535599385 /nfs/dbraw/zinc/59/93/85/535599385.db2.gz WXBNQDKVLISGOE-HOTGVXAUSA-N 0 0 345.443 1.895 10 30 EDEERN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H](C)COC)c1 ZINC000103387486 593287337 /nfs/dbraw/zinc/28/73/37/593287337.db2.gz PGCZGTWXGHERAX-HNNXBMFYSA-N 0 0 344.411 1.142 10 30 EDEERN Cc1noc([C@@H]2CC(=O)N(C3CN(c4ccc(C#N)c(C)n4)C3)C2)n1 ZINC000864307984 596827601 /nfs/dbraw/zinc/82/76/01/596827601.db2.gz JNXHGHFUQURFKU-CYBMUJFWSA-N 0 0 338.371 1.158 10 30 EDEERN C#CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000134609351 598112061 /nfs/dbraw/zinc/11/20/61/598112061.db2.gz OTRPROWVINJXEG-SJLPKXTDSA-N 0 0 343.402 1.123 10 30 EDEERN N#Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](CCO)C1 ZINC000051894726 214107757 /nfs/dbraw/zinc/10/77/57/214107757.db2.gz XOPUZQVTYZJARM-NSHDSACASA-N 0 0 328.821 1.995 10 30 EDEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cc(C#N)ccc1F ZINC000175824995 231518279 /nfs/dbraw/zinc/51/82/79/231518279.db2.gz MQEZCBJOMWDGOD-CQSZACIVSA-N 0 0 328.351 1.932 10 30 EDEERN N#Cc1ccc(N2CCOCC2=O)c(I)c1 ZINC000725244069 539383026 /nfs/dbraw/zinc/38/30/26/539383026.db2.gz HRYVMBWUORQGTG-UHFFFAOYSA-N 0 0 328.109 1.526 10 30 EDEERN N#Cc1ccc(C(=O)NCC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000131927070 138367739 /nfs/dbraw/zinc/36/77/39/138367739.db2.gz SWXUVNVKBBYDPU-UHFFFAOYSA-N 0 0 337.383 1.417 10 30 EDEERN O=S(=O)(NCc1ccc(Cl)s1)c1cncc(C#CCO)c1 ZINC000071320948 215759955 /nfs/dbraw/zinc/75/99/55/215759955.db2.gz WZCTWXNTIMVVLW-UHFFFAOYSA-N 0 0 342.829 1.619 10 30 EDEERN CN1CC(=O)N(CC(=O)Nc2ccc(C#N)cc2)c2ccccc2C1=O ZINC000033086288 212896534 /nfs/dbraw/zinc/89/65/34/212896534.db2.gz DHQHENRBQIGQIZ-UHFFFAOYSA-N 0 0 348.362 1.616 10 30 EDEERN O=C(ON1C(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C1=O)c1ccc(Cl)s1 ZINC000095747807 295993718 /nfs/dbraw/zinc/99/37/18/295993718.db2.gz HMYMMJGRMMPDQY-KXOWCNOMSA-N 0 0 325.729 1.412 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)cn1 ZINC000253623480 244040237 /nfs/dbraw/zinc/04/02/37/244040237.db2.gz WBAOMLGJYLZMGL-ZBFHGGJFSA-N 0 0 347.371 1.589 10 30 EDEERN C=CCOc1cccc(NC(=O)C(=O)NCCn2cc(C)cn2)c1 ZINC000118133371 221127983 /nfs/dbraw/zinc/12/79/83/221127983.db2.gz QDXOCQZOJIGXGL-UHFFFAOYSA-N 0 0 328.372 1.511 10 30 EDEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(C#N)cc1 ZINC000177694475 533284135 /nfs/dbraw/zinc/28/41/35/533284135.db2.gz JMNGJHMWLXNZBQ-AWEZNQCLSA-N 0 0 325.372 1.490 10 30 EDEERN N#Cc1cccc(NC(=O)CN2CCCN(c3cccnn3)CC2)c1 ZINC000105798497 441273856 /nfs/dbraw/zinc/27/38/56/441273856.db2.gz ZKQLANDPAUWMNS-UHFFFAOYSA-N 0 0 336.399 1.499 10 30 EDEERN Cc1cnn([C@H]2CCCN(CC(=O)N(CCC#N)CCC#N)C2)c1 ZINC000105901652 441313754 /nfs/dbraw/zinc/31/37/54/441313754.db2.gz RDIFXBKXEUAPBC-INIZCTEOSA-N 0 0 328.420 1.484 10 30 EDEERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)CCCCC#N)CC2)n1 ZINC000111344805 441534904 /nfs/dbraw/zinc/53/49/04/441534904.db2.gz MIPOETDIWXLSHK-GFCCVEGCSA-N 0 0 341.437 1.080 10 30 EDEERN C#CCSCCNC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000121495993 441718426 /nfs/dbraw/zinc/71/84/26/441718426.db2.gz FQOQZZUDCDBWLU-UHFFFAOYSA-N 0 0 338.502 1.645 10 30 EDEERN C#CCSCCNC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000121440460 441705376 /nfs/dbraw/zinc/70/53/76/441705376.db2.gz XBGFKJYTWILMQJ-GFCCVEGCSA-N 0 0 337.449 1.133 10 30 EDEERN C[C@@H](C(=O)N(CC#N)C1CCCC1)N1C(=O)c2ccccc2C1=O ZINC000125107996 441984686 /nfs/dbraw/zinc/98/46/86/441984686.db2.gz IOTMYONDGCYIOU-LBPRGKRZSA-N 0 0 325.368 1.966 10 30 EDEERN N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000176231113 442196387 /nfs/dbraw/zinc/19/63/87/442196387.db2.gz WRFOVXACXNZFRI-OAHLLOKOSA-N 0 0 345.428 1.261 10 30 EDEERN N#CCCCCNC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172133849 442413350 /nfs/dbraw/zinc/41/33/50/442413350.db2.gz ZCUUPFDHMPNLIV-KRWDZBQOSA-N 0 0 330.432 1.741 10 30 EDEERN C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)N1CCOCC1 ZINC000156411662 442477361 /nfs/dbraw/zinc/47/73/61/442477361.db2.gz HCDOYISRPABIIP-LLVKDONJSA-N 0 0 343.836 1.211 10 30 EDEERN C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000180090527 442540611 /nfs/dbraw/zinc/54/06/11/442540611.db2.gz ICKWWTRHINHQBP-HUUCEWRRSA-N 0 0 344.415 1.916 10 30 EDEERN C=CCNC(=O)CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000180830108 442663810 /nfs/dbraw/zinc/66/38/10/442663810.db2.gz CAOUTXFMVKQTMQ-GFCCVEGCSA-N 0 0 329.322 1.761 10 30 EDEERN Cc1noc([C@@H]2COCCN2C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000182819835 442830239 /nfs/dbraw/zinc/83/02/39/442830239.db2.gz VUJPQRQDEMOKMC-LBPRGKRZSA-N 0 0 334.282 1.742 10 30 EDEERN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000248252936 442887153 /nfs/dbraw/zinc/88/71/53/442887153.db2.gz NAXVLNVUGLCYCD-IUODEOHRSA-N 0 0 338.429 1.448 10 30 EDEERN CO[C@H]1C[C@H](c2nc(C)no2)N(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000189340918 442925287 /nfs/dbraw/zinc/92/52/87/442925287.db2.gz XTDPIUICWUNPTO-ARFHVFGLSA-N 0 0 328.372 1.745 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)cn1 ZINC000225685903 443118141 /nfs/dbraw/zinc/11/81/41/443118141.db2.gz WBAOMLGJYLZMGL-GDBMZVCRSA-N 0 0 347.371 1.589 10 30 EDEERN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000185650723 443232585 /nfs/dbraw/zinc/23/25/85/443232585.db2.gz XUKFCLAKYXRNSG-ZDUSSCGKSA-N 0 0 346.412 1.479 10 30 EDEERN C=CC[C@H](CO)NC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000185893180 443277001 /nfs/dbraw/zinc/27/70/01/443277001.db2.gz ILBRPTVFZMNQCB-CJNGLKHVSA-N 0 0 334.416 1.503 10 30 EDEERN N#Cc1ccc(N2CC[C@@](O)(Cn3ccnn3)C2)cc1C(F)(F)F ZINC000585789089 448772542 /nfs/dbraw/zinc/77/25/42/448772542.db2.gz VHYQMLMWQYSSAW-AWEZNQCLSA-N 0 0 337.305 1.810 10 30 EDEERN CS(=O)(=O)OC[C@H]1CCc2cc(OS(C)(=O)=O)ccc2C1 ZINC000203052749 486243968 /nfs/dbraw/zinc/24/39/68/486243968.db2.gz DXQQUOXEFJFECU-JTQLQIEISA-N 0 0 334.415 1.106 10 30 EDEERN C#CCOc1ccccc1CN1CCO[C@@H](c2nnc(CC)[nH]2)C1 ZINC000129171537 527126980 /nfs/dbraw/zinc/12/69/80/527126980.db2.gz UZPNMTMLBQPYHF-MRXNPFEDSA-N 0 0 326.400 1.953 10 30 EDEERN C#CCSCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000135496806 527149713 /nfs/dbraw/zinc/14/97/13/527149713.db2.gz MAVUXPIVTCZCAX-HOCLYGCPSA-N 0 0 334.416 1.828 10 30 EDEERN C=CCCO[C@@H](C)C(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000105830772 527373087 /nfs/dbraw/zinc/37/30/87/527373087.db2.gz PCBMLPRSLYMTEU-INIZCTEOSA-N 0 0 334.464 1.919 10 30 EDEERN C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174977501 527399678 /nfs/dbraw/zinc/39/96/78/527399678.db2.gz JFKKRHZXFIBCPF-ZIAGYGMSSA-N 0 0 334.420 1.321 10 30 EDEERN CS(=O)(=O)n1cc(I)c2cc(C#N)ccc21 ZINC000757193200 578636516 /nfs/dbraw/zinc/63/65/16/578636516.db2.gz ZBEIADLTVDDNQG-UHFFFAOYSA-N 0 0 346.149 1.925 10 30 EDEERN Cc1noc([C@H]2CC(=O)N(C3CN(c4cc(C)ncc4C#N)C3)C2)n1 ZINC000864308556 596828249 /nfs/dbraw/zinc/82/82/49/596828249.db2.gz XIRJKSUBWLMJNA-LBPRGKRZSA-N 0 0 338.371 1.158 10 30 EDEERN C#CCN1CCN(C(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)CC1 ZINC000128227990 597852419 /nfs/dbraw/zinc/85/24/19/597852419.db2.gz NXOMDUNELGRCBZ-SFHVURJKSA-N 0 0 341.455 1.527 10 30 EDEERN O=C(C#Cc1ccccc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130210604 598071535 /nfs/dbraw/zinc/07/15/35/598071535.db2.gz BWXSHDKWCBVCOF-AEFFLSMTSA-N 0 0 340.335 1.157 10 30 EDEERN C#CCOCCC(=O)NC[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000154948595 697263546 /nfs/dbraw/zinc/26/35/46/697263546.db2.gz IQAFXXHPTSYODD-HNNXBMFYSA-N 0 0 336.457 1.586 10 30 EDEERN Cc1nnc([C@@H]2CN(CCC(=O)Nc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000173683899 231004267 /nfs/dbraw/zinc/00/42/67/231004267.db2.gz BHDYNPBRIINOCJ-HNNXBMFYSA-N 0 0 340.387 1.387 10 30 EDEERN CC[C@@H]1CN(S(=O)(=O)c2cccc(C#CCO)c2)CCS1 ZINC000157984980 529400627 /nfs/dbraw/zinc/40/06/27/529400627.db2.gz FHGUOFASFNEBTQ-CQSZACIVSA-N 0 0 325.455 1.547 10 30 EDEERN Cc1c(C(=O)Nc2ccc(C#N)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 ZINC000049658567 214024937 /nfs/dbraw/zinc/02/49/37/214024937.db2.gz TWIDJQGGVUGVRG-CQSZACIVSA-N 0 0 344.396 1.675 10 30 EDEERN C=CCO[C@@H]1CCN2C(=O)[C@H](Cc3ccc(OC)cc3)NC(=O)[C@@H]2C1 ZINC000003839870 210078525 /nfs/dbraw/zinc/07/85/25/210078525.db2.gz ZTHINPICVUJGJG-IKGGRYGDSA-N 0 0 344.411 1.298 10 30 EDEERN COC(=O)CCOc1c(N)cc(C#N)cc1I ZINC000069316752 215376377 /nfs/dbraw/zinc/37/63/77/215376377.db2.gz ABNKVQSRHGONKB-UHFFFAOYSA-N 0 0 346.124 1.687 10 30 EDEERN Cc1nc(CN2CCCN(C(=O)c3ccc(C#N)cc3)CC2)no1 ZINC000109923114 138306650 /nfs/dbraw/zinc/30/66/50/138306650.db2.gz XBPGCMGZHLZEIR-UHFFFAOYSA-N 0 0 325.372 1.598 10 30 EDEERN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000131833677 223276341 /nfs/dbraw/zinc/27/63/41/223276341.db2.gz RVWPXUMHHNJCGZ-JTQLQIEISA-N 0 0 348.313 1.888 10 30 EDEERN N#Cc1cc(Br)ccc1NC[C@H](O)CN1CCOCC1 ZINC000132411112 223328446 /nfs/dbraw/zinc/32/84/46/223328446.db2.gz JKEKONRHOZOQCI-ZDUSSCGKSA-N 0 0 340.221 1.426 10 30 EDEERN C=CCNC(=O)C(=O)NCC1(c2ccccc2OC)CCOCC1 ZINC000016975532 211944122 /nfs/dbraw/zinc/94/41/22/211944122.db2.gz IETVCKZMMBLFRS-UHFFFAOYSA-N 0 0 332.400 1.162 10 30 EDEERN N#Cc1ccc(S(=O)(=O)CCN2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000081512788 217409161 /nfs/dbraw/zinc/40/91/61/217409161.db2.gz OSICCVFUEWULBK-DLBZAZTESA-N 0 0 334.441 1.975 10 30 EDEERN NS(=O)(=O)c1ccc(N=NCc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000004962159 210340150 /nfs/dbraw/zinc/34/01/50/210340150.db2.gz WHKURYLEFWHCSB-OVCLIPMQSA-N 0 0 336.329 1.394 10 30 EDEERN C=CCCOCCNC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000122508356 222102594 /nfs/dbraw/zinc/10/25/94/222102594.db2.gz CSNBKAWBEOORLU-CYBMUJFWSA-N 0 0 337.424 1.359 10 30 EDEERN COC(=O)c1c(C)oc(NC(=O)CNC(=O)c2ccccc2)c1C#N ZINC000170521428 533682767 /nfs/dbraw/zinc/68/27/67/533682767.db2.gz SREDXDXEIVLRDN-UHFFFAOYSA-N 0 0 341.323 1.615 10 30 EDEERN C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H]1CCCO1 ZINC000184639028 289894260 /nfs/dbraw/zinc/89/42/60/289894260.db2.gz GYBXRYAUOPOZGH-FZMZJTMJSA-N 0 0 326.360 1.828 10 30 EDEERN C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000015555901 441205579 /nfs/dbraw/zinc/20/55/79/441205579.db2.gz WAKJRDAEQRAWCH-LLVKDONJSA-N 0 0 329.381 1.697 10 30 EDEERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cccc(C#N)c3)CCO2)c1 ZINC000112093957 441544279 /nfs/dbraw/zinc/54/42/79/441544279.db2.gz OJOBVLVKWMTNJA-OAHLLOKOSA-N 0 0 346.412 1.153 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000076241791 441616087 /nfs/dbraw/zinc/61/60/87/441616087.db2.gz GHPIZWGTDFRERK-VXGBXAGGSA-N 0 0 334.347 1.412 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)CC2 ZINC000114906452 441695996 /nfs/dbraw/zinc/69/59/96/441695996.db2.gz DJMPVWVQFFSLKV-GFCCVEGCSA-N 0 0 328.351 1.988 10 30 EDEERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)CCCC#N)C2)n1 ZINC000116899892 441859222 /nfs/dbraw/zinc/85/92/22/441859222.db2.gz CESSJMOOQIZMHG-CQSZACIVSA-N 0 0 325.438 1.241 10 30 EDEERN CCc1nc(CN(C(C)=O)[C@H]2CCN(c3ncccc3C#N)C2)no1 ZINC000095973743 441966063 /nfs/dbraw/zinc/96/60/63/441966063.db2.gz URTSEJSXVUMMTM-AWEZNQCLSA-N 0 0 340.387 1.526 10 30 EDEERN N#CCOc1cccc(CC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000120651058 442111471 /nfs/dbraw/zinc/11/14/71/442111471.db2.gz PISNRJCXMDDJPG-MRXNPFEDSA-N 0 0 329.400 1.065 10 30 EDEERN N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000176186330 442186934 /nfs/dbraw/zinc/18/69/34/442186934.db2.gz AZTUIOIENILOAI-MRXNPFEDSA-N 0 0 337.383 1.176 10 30 EDEERN CN(C)C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000170657149 442243735 /nfs/dbraw/zinc/24/37/35/442243735.db2.gz QMMQUAZSOXUAIU-INIZCTEOSA-N 0 0 330.413 1.534 10 30 EDEERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C2)c1 ZINC000177672105 442368621 /nfs/dbraw/zinc/36/86/21/442368621.db2.gz SULSNPVJNFLZIE-MRXNPFEDSA-N 0 0 337.383 1.865 10 30 EDEERN C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)N1CCOCC1 ZINC000156411539 442477981 /nfs/dbraw/zinc/47/79/81/442477981.db2.gz HCDOYISRPABIIP-NSHDSACASA-N 0 0 343.836 1.211 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c(Cl)c1 ZINC000180112986 442543650 /nfs/dbraw/zinc/54/36/50/442543650.db2.gz LLHFDLSEGGBPJV-LLVKDONJSA-N 0 0 337.792 1.617 10 30 EDEERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)CC2 ZINC000157596957 442595938 /nfs/dbraw/zinc/59/59/38/442595938.db2.gz XYITWLKUTXNEBR-GFCCVEGCSA-N 0 0 349.391 1.145 10 30 EDEERN N#CCOc1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 ZINC000186881641 442624427 /nfs/dbraw/zinc/62/44/27/442624427.db2.gz WJJUZHNIBMURGD-UHFFFAOYSA-N 0 0 328.372 1.009 10 30 EDEERN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000193091113 442711788 /nfs/dbraw/zinc/71/17/88/442711788.db2.gz CIERUEIYPPQTIS-UONOGXRCSA-N 0 0 346.431 1.721 10 30 EDEERN C=CCOc1ccccc1CNC(=O)N1CCN(C[C@@H](O)CC)CC1 ZINC000181744624 442714549 /nfs/dbraw/zinc/71/45/49/442714549.db2.gz RGWSWLFPUBCEGO-KRWDZBQOSA-N 0 0 347.459 1.850 10 30 EDEERN COC(=O)C1(C#N)CCN(C(=O)Nc2cn(C)nc2C(F)F)CC1 ZINC000584646730 448588696 /nfs/dbraw/zinc/58/86/96/448588696.db2.gz YSRJRCZJRKSWOS-UHFFFAOYSA-N 0 0 341.318 1.668 10 30 EDEERN COC(=O)Cc1cc(C#N)c(I)cc1[N+](=O)[O-] ZINC000575392806 449088560 /nfs/dbraw/zinc/08/85/60/449088560.db2.gz YBULZTOOQVXFKL-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN C=C(Br)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000161417639 526428437 /nfs/dbraw/zinc/42/84/37/526428437.db2.gz LYFQZLGPZRVDIH-UHFFFAOYSA-N 0 0 347.190 1.204 10 30 EDEERN C=C(Br)CNc1cc(S(=O)(=O)NCC)ccc1N ZINC000161349148 526429519 /nfs/dbraw/zinc/42/95/19/526429519.db2.gz MMESLOLJNJZDLX-UHFFFAOYSA-N 0 0 334.239 1.888 10 30 EDEERN CC(=O)NC1CN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000189731510 526708766 /nfs/dbraw/zinc/70/87/66/526708766.db2.gz DXNPZKWLAWNINR-UHFFFAOYSA-N 0 0 332.429 1.321 10 30 EDEERN C=CCSCCNC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000177961403 526995289 /nfs/dbraw/zinc/99/52/89/526995289.db2.gz WEJFTPOHZYIKMR-LLVKDONJSA-N 0 0 325.438 1.478 10 30 EDEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCN(Cc2cnc(C)s2)CC1 ZINC000105814695 528622013 /nfs/dbraw/zinc/62/20/13/528622013.db2.gz OXBZEPDEMRKSBE-AWEZNQCLSA-N 0 0 349.504 1.577 10 30 EDEERN CCOCCN1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000247370322 535603459 /nfs/dbraw/zinc/60/34/59/535603459.db2.gz UNENRYIDUPVFGJ-OAHLLOKOSA-N 0 0 330.432 1.539 10 30 EDEERN CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000888077777 590934040 /nfs/dbraw/zinc/93/40/40/590934040.db2.gz UMYSELYYNZHJMD-HZPDHXFCSA-N 0 0 340.383 1.843 10 30 EDEERN N/C(=N/O)c1cc([N+](=O)[O-])ccc1-n1cc(Br)cn1 ZINC000050440136 214056921 /nfs/dbraw/zinc/05/69/21/214056921.db2.gz FDYAKYJSOOPNMH-UHFFFAOYSA-N 0 0 326.110 1.638 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)CC2 ZINC000154991689 529750980 /nfs/dbraw/zinc/75/09/80/529750980.db2.gz BWYLHTWEYHTKQP-JTQLQIEISA-N 0 0 331.326 1.735 10 30 EDEERN CN([C@@H]1CCSC1)S(=O)(=O)c1ccc(C#CCO)cc1F ZINC000162109303 530033609 /nfs/dbraw/zinc/03/36/09/530033609.db2.gz YXGKXCCMGRYCDT-GFCCVEGCSA-N 0 0 329.418 1.296 10 30 EDEERN Cc1nccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000177981516 232048463 /nfs/dbraw/zinc/04/84/63/232048463.db2.gz YWJBIOSLYPHMDV-INIZCTEOSA-N 0 0 337.383 1.693 10 30 EDEERN COCCCNc1ncnc(N(CCC#N)CCC#N)c1[N+](=O)[O-] ZINC000040618078 213358927 /nfs/dbraw/zinc/35/89/27/213358927.db2.gz YQMJUEFNYHMBHR-UHFFFAOYSA-N 0 0 333.352 1.467 10 30 EDEERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000106368499 138302925 /nfs/dbraw/zinc/30/29/25/138302925.db2.gz CMOIWLROVVIXNY-OAHLLOKOSA-N 0 0 345.428 1.829 10 30 EDEERN C=CCOCCCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000079288811 217203967 /nfs/dbraw/zinc/20/39/67/217203967.db2.gz BKBJYAYKBQUKHQ-GFCCVEGCSA-N 0 0 326.418 1.494 10 30 EDEERN CCOCCN1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@@H]1C ZINC000117279809 221041747 /nfs/dbraw/zinc/04/17/47/221041747.db2.gz WXBNQDKVLISGOE-JKSUJKDBSA-N 0 0 345.443 1.895 10 30 EDEERN N#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1O ZINC000333164871 141274295 /nfs/dbraw/zinc/27/42/95/141274295.db2.gz OIWMWRTXSJESMX-HIFRSBDPSA-N 0 0 327.384 1.785 10 30 EDEERN C[C@H](C#N)C(=O)N1CC[C@H](C)[C@@H](N(C)c2ncnc3[nH]ccc32)C1 ZINC000169306740 226239292 /nfs/dbraw/zinc/23/92/92/226239292.db2.gz HTHSDNKHQYZZDG-SCRDCRAPSA-N 0 0 326.404 1.791 10 30 EDEERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C(C)C ZINC000179082069 267606955 /nfs/dbraw/zinc/60/69/55/267606955.db2.gz OJDXAJGGBMSACO-GFCCVEGCSA-N 0 0 336.779 1.037 10 30 EDEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCCN(c2ccc(C)nn2)CC1 ZINC000105801673 276134950 /nfs/dbraw/zinc/13/49/50/276134950.db2.gz IHYOXJMVTDKEIZ-HNNXBMFYSA-N 0 0 344.463 1.305 10 30 EDEERN C=CCN(CC=C)C(=O)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105893109 441310312 /nfs/dbraw/zinc/31/03/12/441310312.db2.gz CMTTTZAFUGPROE-QGZVFWFLSA-N 0 0 332.448 1.401 10 30 EDEERN Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N ZINC000105896097 441312331 /nfs/dbraw/zinc/31/23/31/441312331.db2.gz XWSWLQXKSGJHAE-MRXNPFEDSA-N 0 0 342.447 1.830 10 30 EDEERN C=CCSCCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000117040400 441863328 /nfs/dbraw/zinc/86/33/28/441863328.db2.gz XELJAXICBCCRAM-QGZVFWFLSA-N 0 0 349.500 1.966 10 30 EDEERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C#N)cs2)ncn1 ZINC000175919375 442145891 /nfs/dbraw/zinc/14/58/91/442145891.db2.gz ARQYNICPEZDXPW-GFCCVEGCSA-N 0 0 342.428 1.850 10 30 EDEERN N#Cc1ccccc1OCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127361485 442196507 /nfs/dbraw/zinc/19/65/07/442196507.db2.gz JJKDTZVELWYGMC-CQSZACIVSA-N 0 0 325.372 1.467 10 30 EDEERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000121280319 442199544 /nfs/dbraw/zinc/19/95/44/442199544.db2.gz KOPINMZBYIIVNJ-CYBMUJFWSA-N 0 0 348.790 1.277 10 30 EDEERN N#Cc1cccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000132770653 442399577 /nfs/dbraw/zinc/39/95/77/442399577.db2.gz KJFCJDKSDXCIFO-HNNXBMFYSA-N 0 0 329.381 1.795 10 30 EDEERN N#Cc1cccc(S(=O)(=O)CCN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000156861136 442528007 /nfs/dbraw/zinc/52/80/07/442528007.db2.gz ZWYDPSSIOSPBMR-SJLPKXTDSA-N 0 0 348.468 1.959 10 30 EDEERN C=CCc1ccc(OC[C@H](O)CN2CCCNC(=O)[C@H]2C)c(OC)c1 ZINC000253309181 443049413 /nfs/dbraw/zinc/04/94/13/443049413.db2.gz BUQGZIRUNPVZSM-GDBMZVCRSA-N 0 0 348.443 1.374 10 30 EDEERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)N(CCC#N)CCC#N ZINC000249734278 443002417 /nfs/dbraw/zinc/00/24/17/443002417.db2.gz CZFIFNMEMXZXNM-OAGGEKHMSA-N 0 0 346.431 1.448 10 30 EDEERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000185079407 443132032 /nfs/dbraw/zinc/13/20/32/443132032.db2.gz IKQLMNDEPKGEEX-MRXNPFEDSA-N 0 0 346.431 1.187 10 30 EDEERN CCN(CCO)c1nn(-c2ccccc2C(F)(F)F)nc1C#N ZINC000256047974 443115578 /nfs/dbraw/zinc/11/55/78/443115578.db2.gz PTKZRSUMCNHCKF-UHFFFAOYSA-N 0 0 325.294 1.976 10 30 EDEERN C=CCN(CCOC)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000190642210 443155679 /nfs/dbraw/zinc/15/56/79/443155679.db2.gz VRHYILUMRJSNTE-CQSZACIVSA-N 0 0 338.429 1.749 10 30 EDEERN COc1ncncc1NC(=O)N1CCOC[C@H]1c1nnc(C(C)C)o1 ZINC000328625420 444399094 /nfs/dbraw/zinc/39/90/94/444399094.db2.gz KSNRLQWTYUUMJV-NSHDSACASA-N 0 0 348.363 1.611 10 30 EDEERN N#CC1(NS(=O)(=O)c2ccc(Br)cc2)CCOCC1 ZINC000584643820 448588529 /nfs/dbraw/zinc/58/85/29/448588529.db2.gz QJBVOGBXGDNHMN-UHFFFAOYSA-N 0 0 345.218 1.800 10 30 EDEERN COC(=O)Cc1c(I)ccc([N+](=O)[O-])c1C#N ZINC000575392520 449087060 /nfs/dbraw/zinc/08/70/60/449087060.db2.gz NRRJVOCFYFXEEW-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN N#Cc1ccccc1[C@H]1CNCCN1S(=O)(=O)c1ccccc1 ZINC000616638871 450456630 /nfs/dbraw/zinc/45/66/30/450456630.db2.gz JRXCCDRGNLPOEM-QGZVFWFLSA-N 0 0 327.409 1.893 10 30 EDEERN C[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)C[C@@H]1N1CCOCC1 ZINC000128770201 533840320 /nfs/dbraw/zinc/84/03/20/533840320.db2.gz YGDZAZWDKWZPQO-YJBOKZPZSA-N 0 0 343.427 1.311 10 30 EDEERN C[C@H](C(=O)Nc1cc(C#CCCO)ccc1Cl)S(C)(=O)=O ZINC000168862998 534296218 /nfs/dbraw/zinc/29/62/18/534296218.db2.gz BUJLZYAINAJOAY-SNVBAGLBSA-N 0 0 329.805 1.446 10 30 EDEERN C=CC[C@@H](C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1 ZINC000163862818 527030867 /nfs/dbraw/zinc/03/08/67/527030867.db2.gz OXLZJGZFJQWAGY-MRVPVSSYSA-N 0 0 347.234 1.791 10 30 EDEERN C#Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000177519299 527445792 /nfs/dbraw/zinc/44/57/92/527445792.db2.gz GILNFYXRIVSVNJ-CQSZACIVSA-N 0 0 341.392 1.663 10 30 EDEERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(O)(CC#N)C1 ZINC000186844538 528570852 /nfs/dbraw/zinc/57/08/52/528570852.db2.gz HPPKFYYEEJNELH-CQSZACIVSA-N 0 0 349.818 1.581 10 30 EDEERN CCN(C[C@H](C)C#N)C(=O)CN1CCN(Cc2cnc(C)s2)CC1 ZINC000105814697 528693860 /nfs/dbraw/zinc/69/38/60/528693860.db2.gz OXBZEPDEMRKSBE-CQSZACIVSA-N 0 0 349.504 1.577 10 30 EDEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105804802 528849428 /nfs/dbraw/zinc/84/94/28/528849428.db2.gz VYXHMZZOFALMNT-QGZVFWFLSA-N 0 0 330.436 1.407 10 30 EDEERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(O)(CC#N)C1 ZINC000186844519 529109086 /nfs/dbraw/zinc/10/90/86/529109086.db2.gz HPPKFYYEEJNELH-AWEZNQCLSA-N 0 0 349.818 1.581 10 30 EDEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000173729128 231016890 /nfs/dbraw/zinc/01/68/90/231016890.db2.gz GIKYCUIKPLNGDP-HNNXBMFYSA-N 0 0 330.413 1.917 10 30 EDEERN CCc1nnc([C@@H]2CN(Cc3ccc(OC)c(C#N)c3)CCO2)[nH]1 ZINC000129112878 529699960 /nfs/dbraw/zinc/69/99/60/529699960.db2.gz KRVATHXPGNKQQX-HNNXBMFYSA-N 0 0 327.388 1.821 10 30 EDEERN N#Cc1cc(N)c(OCCOCCO)c(I)c1 ZINC000043415447 213581487 /nfs/dbraw/zinc/58/14/87/213581487.db2.gz OEBGXUHVKOOBOM-UHFFFAOYSA-N 0 0 348.140 1.133 10 30 EDEERN CCc1noc([C@H](C)N2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000105865203 237070044 /nfs/dbraw/zinc/07/00/44/237070044.db2.gz JUZNCZSYRLPYMP-KBPBESRZSA-N 0 0 348.451 1.071 10 30 EDEERN C=CCN(CC=C)C(=O)CN1CCN(c2ccc3c(c2)OCO3)C1=O ZINC000049389495 214005295 /nfs/dbraw/zinc/00/52/95/214005295.db2.gz LWHIBMPRAZXCQL-UHFFFAOYSA-N 0 0 343.383 1.858 10 30 EDEERN N#Cc1ccc(S(=O)(=O)CCN2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000246218542 139099720 /nfs/dbraw/zinc/09/97/20/139099720.db2.gz OSICCVFUEWULBK-IAGOWNOFSA-N 0 0 334.441 1.975 10 30 EDEERN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247237774 139142077 /nfs/dbraw/zinc/14/20/77/139142077.db2.gz RWOSFFRFDCUYGW-RHSMWYFYSA-N 0 0 339.399 1.483 10 30 EDEERN C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H]1CCCO1 ZINC000114588898 220713146 /nfs/dbraw/zinc/71/31/46/220713146.db2.gz WMSYTMUHHLWNIE-CGTJXYLNSA-N 0 0 342.443 1.973 10 30 EDEERN CNC(=O)NCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000090026292 287329046 /nfs/dbraw/zinc/32/90/46/287329046.db2.gz IQHPYPPBJXRMCC-UHFFFAOYSA-N 0 0 329.385 1.473 10 30 EDEERN C=CCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1OC ZINC000042010121 441694236 /nfs/dbraw/zinc/69/42/36/441694236.db2.gz ZKHQAJNTXVJDKP-CQSZACIVSA-N 0 0 332.400 1.953 10 30 EDEERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(C#N)c2)ncn1 ZINC000173434785 441750834 /nfs/dbraw/zinc/75/08/34/441750834.db2.gz UJTTUUZKZUANFE-HNNXBMFYSA-N 0 0 336.399 1.789 10 30 EDEERN Cc1nc(CN2CCCN(S(=O)(=O)CCCC#N)CC2)cs1 ZINC000116351537 441815322 /nfs/dbraw/zinc/81/53/22/441815322.db2.gz AVDOSNHRRNIXKO-UHFFFAOYSA-N 0 0 342.490 1.593 10 30 EDEERN Cc1nnc([C@@H]2CN(CCC(=O)Nc3sccc3C#N)CCO2)[nH]1 ZINC000173663376 441819388 /nfs/dbraw/zinc/81/93/88/441819388.db2.gz LAPZSMZBISSWBE-LBPRGKRZSA-N 0 0 346.416 1.448 10 30 EDEERN CN(C(=O)CN1CC[C@@H](c2cnn(C)c2)C1)C1(C#N)CCCCC1 ZINC000116324044 441812558 /nfs/dbraw/zinc/81/25/58/441812558.db2.gz GDOIOEXKKCKPIC-OAHLLOKOSA-N 0 0 329.448 1.894 10 30 EDEERN Cc1nnc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)c(C#N)c1C ZINC000078518959 441940786 /nfs/dbraw/zinc/94/07/86/441940786.db2.gz UYFZGPJGJMYNIU-LLVKDONJSA-N 0 0 341.337 1.860 10 30 EDEERN C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000128294799 442258309 /nfs/dbraw/zinc/25/83/09/442258309.db2.gz OZAFAJMRFCVRRQ-HNNXBMFYSA-N 0 0 346.427 1.807 10 30 EDEERN N#Cc1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)ccc1F ZINC000177392802 442335745 /nfs/dbraw/zinc/33/57/45/442335745.db2.gz LRTVTYWXZAZTQX-AWEZNQCLSA-N 0 0 330.363 1.333 10 30 EDEERN Cc1nc(CN2CCCN(C(=O)c3cc(C#N)cs3)CC2)no1 ZINC000177502336 442350298 /nfs/dbraw/zinc/35/02/98/442350298.db2.gz JBNYAFOMVOUILL-UHFFFAOYSA-N 0 0 331.401 1.659 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(C#N)cc1F)CC2 ZINC000172029300 442401501 /nfs/dbraw/zinc/40/15/01/442401501.db2.gz CZVTVKMUAKKFOZ-CYBMUJFWSA-N 0 0 342.378 1.665 10 30 EDEERN N#Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)nc1 ZINC000171590255 442360099 /nfs/dbraw/zinc/36/00/99/442360099.db2.gz SJGTZUZWRDFLLI-CYBMUJFWSA-N 0 0 327.365 1.602 10 30 EDEERN N#Cc1cccc(OCCCN2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000156224179 442456284 /nfs/dbraw/zinc/45/62/84/442456284.db2.gz HONPFXACUDGRSR-GOSISDBHSA-N 0 0 326.400 1.925 10 30 EDEERN C#CCSCCNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000172470629 442470004 /nfs/dbraw/zinc/47/00/04/442470004.db2.gz HOALQXBJIDXENE-CYBMUJFWSA-N 0 0 338.454 1.571 10 30 EDEERN N#Cc1ccc(CSCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172756472 442534921 /nfs/dbraw/zinc/53/49/21/442534921.db2.gz LZEGYCKOXBAQHG-QGZVFWFLSA-N 0 0 345.468 1.725 10 30 EDEERN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000180090478 442540019 /nfs/dbraw/zinc/54/00/19/442540019.db2.gz ICKWWTRHINHQBP-GJZGRUSLSA-N 0 0 344.415 1.916 10 30 EDEERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC000192973770 442702617 /nfs/dbraw/zinc/70/26/17/442702617.db2.gz WEVYMFLUAXLMAL-UHFFFAOYSA-N 0 0 342.403 1.375 10 30 EDEERN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195518282 443028566 /nfs/dbraw/zinc/02/85/66/443028566.db2.gz LBPURWGGZIWFHO-UKRRQHHQSA-N 0 0 333.436 1.641 10 30 EDEERN COc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1N ZINC000203904680 443047651 /nfs/dbraw/zinc/04/76/51/443047651.db2.gz HCIOCXYQGZAQHA-UHFFFAOYSA-N 0 0 325.372 1.007 10 30 EDEERN Cc1nnc([C@@H]2COCCN2C(=O)[C@H](C)Oc2cccc(C#N)c2)o1 ZINC000328611144 444393445 /nfs/dbraw/zinc/39/34/45/444393445.db2.gz KOLTVBHLIMTUMU-NHYWBVRUSA-N 0 0 342.355 1.617 10 30 EDEERN CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)Nc2cccnc2)cn1 ZINC000328618715 444396856 /nfs/dbraw/zinc/39/68/56/444396856.db2.gz DYXVLOGEVIBOIB-CQSZACIVSA-N 0 0 349.416 1.315 10 30 EDEERN Cc1ccc(N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)nc1C#N ZINC000583616820 448443339 /nfs/dbraw/zinc/44/33/39/448443339.db2.gz KRNLCIWUTHSAGY-KRWDZBQOSA-N 0 0 326.404 1.922 10 30 EDEERN C=CC[N@@+]1([O-])CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5 ZINC000575346443 449082721 /nfs/dbraw/zinc/08/27/21/449082721.db2.gz NOENDTBAEWSGHV-RBUQIHAASA-O 0 0 344.387 1.205 10 30 EDEERN COC(=O)Cc1cc(I)c([N+](=O)[O-])cc1C#N ZINC000575392490 449087485 /nfs/dbraw/zinc/08/74/85/449087485.db2.gz MFTDGNBEOPBVAS-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ccc(Br)cc1C#N ZINC000596436148 449502824 /nfs/dbraw/zinc/50/28/24/449502824.db2.gz RHWQCNCTMUMEKS-NEPJUHHUSA-N 0 0 345.218 1.545 10 30 EDEERN C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2C)c1 ZINC000177975111 527444499 /nfs/dbraw/zinc/44/44/99/527444499.db2.gz OZLVOEACHDXRFB-KRWDZBQOSA-N 0 0 336.395 1.803 10 30 EDEERN CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169267880 528423388 /nfs/dbraw/zinc/42/33/88/528423388.db2.gz CXQHNNBILWVZEH-SECBINFHSA-N 0 0 329.809 1.405 10 30 EDEERN Cn1cnnc1C[C@]1(O)CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000888077803 590933154 /nfs/dbraw/zinc/93/31/54/590933154.db2.gz VPHPEIOXUWQGEQ-QGZVFWFLSA-N 0 0 345.834 1.910 10 30 EDEERN C#CCOc1ccc(C(=O)N2CCN(CCOC)[C@H](CC)C2)cc1 ZINC000121417917 594843467 /nfs/dbraw/zinc/84/34/67/594843467.db2.gz LRGNBEAVNXLVLJ-QGZVFWFLSA-N 0 0 330.428 1.881 10 30 EDEERN C[C@@H](C/C(N)=N/O)NS(=O)(=O)c1ccc(Br)cc1 ZINC000050389730 214056032 /nfs/dbraw/zinc/05/60/32/214056032.db2.gz HCSGCHLFMIIANU-ZETCQYMHSA-N 0 0 336.211 1.252 10 30 EDEERN C=CCN(CC=C)C(=O)Cn1c(CCNC(C)=O)nc2ccccc21 ZINC000040197591 213280642 /nfs/dbraw/zinc/28/06/42/213280642.db2.gz CNQJKWKEIZDMTM-UHFFFAOYSA-N 0 0 340.427 1.916 10 30 EDEERN CCCc1cc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)cn1 ZINC000038509942 213212632 /nfs/dbraw/zinc/21/26/32/213212632.db2.gz NFJVFYABJWRAFX-UHFFFAOYSA-N 0 0 341.327 1.614 10 30 EDEERN C[C@@H]1CSCCN1S(=O)(=O)c1ccc(F)cc1C#CCO ZINC000070224235 215684577 /nfs/dbraw/zinc/68/45/77/215684577.db2.gz OROYOVCUTXMWOF-LLVKDONJSA-N 0 0 329.418 1.296 10 30 EDEERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000188202889 138834331 /nfs/dbraw/zinc/83/43/31/138834331.db2.gz FXVMSFYTUMQQGO-CQSZACIVSA-N 0 0 326.349 1.414 10 30 EDEERN O=C(ON1C(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@H]2C1=O)c1ccc(Cl)s1 ZINC000215720918 241139219 /nfs/dbraw/zinc/13/92/19/241139219.db2.gz HMYMMJGRMMPDQY-XCVPVQRUSA-N 0 0 325.729 1.412 10 30 EDEERN O=S(=O)(c1ccc(C#CCO)cc1Cl)N1CCCSCC1 ZINC000048896504 213970719 /nfs/dbraw/zinc/97/07/19/213970719.db2.gz COHLQJDGNZTEFF-UHFFFAOYSA-N 0 0 345.873 1.811 10 30 EDEERN C#CCC(CC#C)C(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1 ZINC000377279428 250288348 /nfs/dbraw/zinc/28/83/48/250288348.db2.gz ZTQDEDFRKWSERI-INIZCTEOSA-N 0 0 326.400 1.105 10 30 EDEERN CC#CCOC(=O)C1=C(N)c2c(sc3c2CC[C@H](O)C3)N[C@H]1C ZINC000095935523 218451479 /nfs/dbraw/zinc/45/14/79/218451479.db2.gz BJZPKZASHXIWOD-UWVGGRQHSA-N 0 0 332.425 1.648 10 30 EDEERN N#Cc1ccc(OC2CN(S(=O)(=O)C[C@@H]3CCCCO3)C2)cc1 ZINC000119419872 221315892 /nfs/dbraw/zinc/31/58/92/221315892.db2.gz UZIPTQXAEDMJCT-HNNXBMFYSA-N 0 0 336.413 1.520 10 30 EDEERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124125433 222379214 /nfs/dbraw/zinc/37/92/14/222379214.db2.gz FZFJHJIXKFPOHD-GFCCVEGCSA-N 0 0 343.355 1.078 10 30 EDEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000189567294 277919002 /nfs/dbraw/zinc/91/90/02/277919002.db2.gz OWCDEWQXEPVBQP-MLGOLLRUSA-N 0 0 340.445 1.740 10 30 EDEERN CC[C@H](O)CN1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000106397684 441339398 /nfs/dbraw/zinc/33/93/98/441339398.db2.gz PNKJSFKXUYRVLJ-HNNXBMFYSA-N 0 0 333.457 1.565 10 30 EDEERN CC(C)[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113785202 441624825 /nfs/dbraw/zinc/62/48/25/441624825.db2.gz KWIATOODYCRGNA-WFASDCNBSA-N 0 0 342.399 1.924 10 30 EDEERN OCC#Cc1nccnc1OC1CN(c2ccc3ccccc3n2)C1 ZINC000146294754 441896593 /nfs/dbraw/zinc/89/65/93/441896593.db2.gz KJPZGZQOPJSSKR-UHFFFAOYSA-N 0 0 332.363 1.636 10 30 EDEERN C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000175663448 442101319 /nfs/dbraw/zinc/10/13/19/442101319.db2.gz XQDARPHKKZIFLX-RHSMWYFYSA-N 0 0 328.416 1.420 10 30 EDEERN N#Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000127354314 442196415 /nfs/dbraw/zinc/19/64/15/442196415.db2.gz YORGOOWRGOZFEF-MRXNPFEDSA-N 0 0 337.383 1.765 10 30 EDEERN C=CCOc1cc(OC)ccc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000127860749 442229446 /nfs/dbraw/zinc/22/94/46/442229446.db2.gz HDAVZSJNIHQWHI-OAHLLOKOSA-N 0 0 334.416 1.663 10 30 EDEERN N#Cc1cccc(S(=O)(=O)CCN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000128493350 442269622 /nfs/dbraw/zinc/26/96/22/442269622.db2.gz HIHGZDRYRNIFRX-DLBZAZTESA-N 0 0 334.441 1.975 10 30 EDEERN N#Cc1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)ccc1F ZINC000177392778 442335603 /nfs/dbraw/zinc/33/56/03/442335603.db2.gz LRTVTYWXZAZTQX-CQSZACIVSA-N 0 0 330.363 1.333 10 30 EDEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000177393801 442336531 /nfs/dbraw/zinc/33/65/31/442336531.db2.gz QEOWEISHKSGRJG-OAHLLOKOSA-N 0 0 326.400 1.502 10 30 EDEERN N#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](c3nccs3)C2)cc1 ZINC000177522286 442353326 /nfs/dbraw/zinc/35/33/26/442353326.db2.gz DTRXESFRNKZURF-CYBMUJFWSA-N 0 0 342.380 1.553 10 30 EDEERN CCN1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000156689352 442509643 /nfs/dbraw/zinc/50/96/43/442509643.db2.gz CAUMIOZRGXATQD-ZDUSSCGKSA-N 0 0 327.837 1.974 10 30 EDEERN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000183664406 442950580 /nfs/dbraw/zinc/95/05/80/442950580.db2.gz BBYFLFSMYSEGPR-SJORKVTESA-N 0 0 347.503 1.733 10 30 EDEERN CC(=O)NC1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000190459309 443113345 /nfs/dbraw/zinc/11/33/45/443113345.db2.gz UWRXLAHJTVBGJZ-UHFFFAOYSA-N 0 0 342.399 1.060 10 30 EDEERN CCc1nnc2n1CCN(C1CN(C(=O)N[C@H]3C=CCCC3)C1)C2 ZINC000328646964 444413038 /nfs/dbraw/zinc/41/30/38/444413038.db2.gz SYOZOCBVCSQHFP-ZDUSSCGKSA-N 0 0 330.436 1.363 10 30 EDEERN N#Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)cc1 ZINC000328627423 444400347 /nfs/dbraw/zinc/40/03/47/444400347.db2.gz GCJKWYUYBMZASU-IRXDYDNUSA-N 0 0 339.374 1.691 10 30 EDEERN CCOC[C@@H]1CN(c2nnc(C)c(C)c2C#N)C[C@H]1c1cnn(C)c1 ZINC000585655507 448737293 /nfs/dbraw/zinc/73/72/93/448737293.db2.gz YGYBOYATIVZRTP-RDJZCZTQSA-N 0 0 340.431 1.955 10 30 EDEERN C#CCN(CCC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000161826102 526901183 /nfs/dbraw/zinc/90/11/83/526901183.db2.gz GUXMOPIABJLEJH-UHFFFAOYSA-N 0 0 333.406 1.263 10 30 EDEERN C#CCN1CCN(S(=O)(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000165908276 526954642 /nfs/dbraw/zinc/95/46/42/526954642.db2.gz IBKDGKBHQFVFDP-UHFFFAOYSA-N 0 0 348.255 1.515 10 30 EDEERN C=CCN(C)S(=O)(=O)c1cc(Br)cc(CO)c1F ZINC000166005351 527576570 /nfs/dbraw/zinc/57/65/70/527576570.db2.gz WLDLETOIEUVNHT-UHFFFAOYSA-N 0 0 338.198 1.887 10 30 EDEERN CCN1CCO[C@@H](CNc2ccc(C#N)c(C)n2)[C@@H]1c1cncn1C ZINC000888103006 591031466 /nfs/dbraw/zinc/03/14/66/591031466.db2.gz ZEDLEFDCLWEJBV-WMZOPIPTSA-N 0 0 340.431 1.869 10 30 EDEERN C#CC1(O)CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000899116733 591694928 /nfs/dbraw/zinc/69/49/28/591694928.db2.gz SZVWYUCZSNWNLG-WMZOPIPTSA-N 0 0 340.423 1.583 10 30 EDEERN CCc1nnc([C@@H]2CN(c3nnc(CC)c(CC)c3C#N)CCO2)[nH]1 ZINC000131550046 529701194 /nfs/dbraw/zinc/70/11/94/529701194.db2.gz ZVFZDESAURWKIP-AWEZNQCLSA-N 0 0 341.419 1.731 10 30 EDEERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000088787118 138272925 /nfs/dbraw/zinc/27/29/25/138272925.db2.gz JMWNXQVMYAVZMI-CYBMUJFWSA-N 0 0 349.391 1.665 10 30 EDEERN COC(=O)CCC(=O)NC(=S)N(CCC#N)Cc1ccccc1 ZINC000036564317 213100396 /nfs/dbraw/zinc/10/03/96/213100396.db2.gz VLDGMTSGPOVAMH-UHFFFAOYSA-N 0 0 333.413 1.757 10 30 EDEERN C=CCNC(=O)c1ccc(NC(=O)Cn2cc(C)ccc2=O)cc1 ZINC000071542126 215784980 /nfs/dbraw/zinc/78/49/80/215784980.db2.gz FAFBHCOMRPKPEF-UHFFFAOYSA-N 0 0 325.368 1.711 10 30 EDEERN CCn1cc([C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCO2)cn1 ZINC000189225128 138864524 /nfs/dbraw/zinc/86/45/24/138864524.db2.gz OZHACFWJXQFPIW-MRXNPFEDSA-N 0 0 346.412 1.537 10 30 EDEERN CCS(=O)(=O)OCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000226858961 242116465 /nfs/dbraw/zinc/11/64/65/242116465.db2.gz QMJCFWQEXFXNAA-UHFFFAOYSA-N 0 0 333.365 1.802 10 30 EDEERN N#Cc1cccc(S(=O)(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000111343385 220141869 /nfs/dbraw/zinc/14/18/69/220141869.db2.gz OLIOVAIOGLWZNL-CYBMUJFWSA-N 0 0 335.410 1.777 10 30 EDEERN C=C(C)CN1c2ccc(NC(=O)CCC(=O)OC)cc2OCC1=O ZINC000012121075 211300731 /nfs/dbraw/zinc/30/07/31/211300731.db2.gz PLPXMIVJFQKJQA-UHFFFAOYSA-N 0 0 332.356 1.880 10 30 EDEERN CNc1cc(N2CCC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)ncn1 ZINC000181319080 533053739 /nfs/dbraw/zinc/05/37/39/533053739.db2.gz QCSXMCCISPDUGS-ZDUSSCGKSA-N 0 0 325.376 1.117 10 30 EDEERN CCOCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000117369161 221057811 /nfs/dbraw/zinc/05/78/11/221057811.db2.gz XDAZHEXPHPACFV-AWEZNQCLSA-N 0 0 337.445 1.290 10 30 EDEERN N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCC[C@H]2CO)c1 ZINC000160723324 225460922 /nfs/dbraw/zinc/46/09/22/225460922.db2.gz NWSLMJHMZCIKFK-NEPJUHHUSA-N 0 0 328.821 1.899 10 30 EDEERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCN(CC#N)CC2)C1 ZINC000073099582 441292901 /nfs/dbraw/zinc/29/29/01/441292901.db2.gz LVJRWXFSLUFWLZ-KBPBESRZSA-N 0 0 336.436 1.348 10 30 EDEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N2CCN(CC#N)CC2)C1 ZINC000073099584 441292978 /nfs/dbraw/zinc/29/29/78/441292978.db2.gz LVJRWXFSLUFWLZ-ZIAGYGMSSA-N 0 0 336.436 1.348 10 30 EDEERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C#N)ccc1C ZINC000088787130 441522451 /nfs/dbraw/zinc/52/24/51/441522451.db2.gz KPABNYNMLNSSLT-CYBMUJFWSA-N 0 0 345.428 1.834 10 30 EDEERN N#Cc1cc(Nc2ccc3nnnn3n2)ccc1N1CCC(O)CC1 ZINC000078506059 441939036 /nfs/dbraw/zinc/93/90/36/441939036.db2.gz ADUXMOPVVYVGMC-UHFFFAOYSA-N 0 0 336.359 1.096 10 30 EDEERN Cc1noc([C@H]2COCCN2CC(=O)Nc2ccc(C#N)cc2)n1 ZINC000161050360 441950989 /nfs/dbraw/zinc/95/09/89/441950989.db2.gz ICXACEIIQUWIFX-CQSZACIVSA-N 0 0 327.344 1.262 10 30 EDEERN C=C(C)COCCNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000151470778 442067683 /nfs/dbraw/zinc/06/76/83/442067683.db2.gz DXTLKERCORZXPK-MRXNPFEDSA-N 0 0 336.436 1.503 10 30 EDEERN Cn1cc([C@@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)cn1 ZINC000176247610 442199993 /nfs/dbraw/zinc/19/99/93/442199993.db2.gz GGYQSESLGAHJFL-OAHLLOKOSA-N 0 0 344.440 1.555 10 30 EDEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000176018835 442161828 /nfs/dbraw/zinc/16/18/28/442161828.db2.gz IHYBTHSDEYDVAM-AWEZNQCLSA-N 0 0 338.371 1.356 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177168265 442308661 /nfs/dbraw/zinc/30/86/61/442308661.db2.gz RZALZIQGUWLVPW-OCCSQVGLSA-N 0 0 334.347 1.196 10 30 EDEERN CCc1noc([C@@H](C)N2CCN(C(=O)NCCCCC#N)CC2)n1 ZINC000171921727 442391121 /nfs/dbraw/zinc/39/11/21/442391121.db2.gz VAYPIJRVZVSPNX-CYBMUJFWSA-N 0 0 334.424 1.714 10 30 EDEERN N#CCN(C[C@H](O)CN1C(=O)c2ccccc2C1=O)C1CCCC1 ZINC000172570990 442493673 /nfs/dbraw/zinc/49/36/73/442493673.db2.gz QAHHTNLDCWXSIM-AWEZNQCLSA-N 0 0 327.384 1.412 10 30 EDEERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(C4(C#N)CC4)cc3)CCO2)[nH]1 ZINC000180483125 442609771 /nfs/dbraw/zinc/60/97/71/442609771.db2.gz DTFMFOTVBMGZRD-HNNXBMFYSA-N 0 0 337.383 1.882 10 30 EDEERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000188202705 442724044 /nfs/dbraw/zinc/72/40/44/442724044.db2.gz QJMBOSLRQUINHT-CQSZACIVSA-N 0 0 342.804 1.928 10 30 EDEERN C#CCOc1ccccc1NC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000188132896 442714886 /nfs/dbraw/zinc/71/48/86/442714886.db2.gz XFNKKUHXSZPGNT-HNNXBMFYSA-N 0 0 341.371 1.731 10 30 EDEERN N#Cc1cc(F)c(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c(F)c1 ZINC000246520669 442789214 /nfs/dbraw/zinc/78/92/14/442789214.db2.gz KMAYGTTVKJVTLO-LBPRGKRZSA-N 0 0 341.383 1.695 10 30 EDEERN N#Cc1c(F)cccc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000189643314 442988946 /nfs/dbraw/zinc/98/89/46/442988946.db2.gz VCGQWJOWEMAGCR-GFCCVEGCSA-N 0 0 325.347 1.886 10 30 EDEERN Cc1nc(C[C@@H]2CCCN(CC(=O)N[C@](C)(C#N)C3CC3)C2)no1 ZINC000249890348 443008789 /nfs/dbraw/zinc/00/87/89/443008789.db2.gz QHSLPXHOJZBDCE-SUMWQHHRSA-N 0 0 331.420 1.441 10 30 EDEERN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000185103683 443137859 /nfs/dbraw/zinc/13/78/59/443137859.db2.gz KZHVIUNZJFPVDN-NSHDSACASA-N 0 0 337.792 1.617 10 30 EDEERN N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1F ZINC000190764270 443179612 /nfs/dbraw/zinc/17/96/12/443179612.db2.gz QENVIXUCLZESDX-CQSZACIVSA-N 0 0 341.346 1.524 10 30 EDEERN Cc1nnc([C@@H]2CN(Cc3ccc(O[C@H](C)C#N)cc3)CCO2)[nH]1 ZINC000245684822 443244145 /nfs/dbraw/zinc/24/41/45/443244145.db2.gz AKFWEBQDPQYKKJ-WBMJQRKESA-N 0 0 327.388 1.978 10 30 EDEERN Cc1nnc(CN(C)[C@@H]2CN(c3cccc(F)c3C#N)C[C@H]2O)o1 ZINC000328654792 444415963 /nfs/dbraw/zinc/41/59/63/444415963.db2.gz XVKVTIKUUBODIY-HUUCEWRRSA-N 0 0 331.351 1.070 10 30 EDEERN N#Cc1cc(Br)ccc1N1CC[C@](O)(Cn2ccnn2)C1 ZINC000585788508 448771868 /nfs/dbraw/zinc/77/18/68/448771868.db2.gz FEZISDFUYJGRKS-CQSZACIVSA-N 0 0 348.204 1.554 10 30 EDEERN N#CC1(CS(=O)(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000166126331 534557076 /nfs/dbraw/zinc/55/70/76/534557076.db2.gz YQFRVOANAYMSGL-SMDDNHRTSA-N 0 0 342.367 1.706 10 30 EDEERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000173743646 534779710 /nfs/dbraw/zinc/77/97/10/534779710.db2.gz SQBBZYCZFQSGHJ-AWEZNQCLSA-N 0 0 331.401 1.312 10 30 EDEERN C=CCNC(=O)NC(=O)CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000173706970 526595311 /nfs/dbraw/zinc/59/53/11/526595311.db2.gz AWHDUKCYFYDAJU-UHFFFAOYSA-N 0 0 333.392 1.318 10 30 EDEERN C#CCN(C(=O)c1cccc(N)c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000160283312 526781078 /nfs/dbraw/zinc/78/10/78/526781078.db2.gz BMHKRIHJCMUVGU-JTQLQIEISA-N 0 0 326.805 1.185 10 30 EDEERN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174977538 527381776 /nfs/dbraw/zinc/38/17/76/527381776.db2.gz JFKKRHZXFIBCPF-UONOGXRCSA-N 0 0 334.420 1.321 10 30 EDEERN CCOCCN1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000247200478 535607892 /nfs/dbraw/zinc/60/78/92/535607892.db2.gz OXQYCQLQNRZJFS-HZPDHXFCSA-N 0 0 344.459 1.928 10 30 EDEERN C=CC[C@@H](C)NC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000116852476 596147817 /nfs/dbraw/zinc/14/78/17/596147817.db2.gz NMGWKDOXVLOLOF-DOMZBBRYSA-N 0 0 349.456 1.831 10 30 EDEERN O=C(C#Cc1ccccc1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000130210394 598071503 /nfs/dbraw/zinc/07/15/03/598071503.db2.gz BWXSHDKWCBVCOF-WMZOPIPTSA-N 0 0 340.335 1.157 10 30 EDEERN Cn1cnnc1Sc1ccc(/C=N/N2CCOCC2)cc1[N+](=O)[O-] ZINC000003324211 210006389 /nfs/dbraw/zinc/00/63/89/210006389.db2.gz ZXNIRYJKPHJGBP-CXUHLZMHSA-N 0 0 348.388 1.541 10 30 EDEERN O=C[C@H]1CCCN(S(=O)(=O)c2cncc(Br)c2)C1 ZINC000104418461 219384900 /nfs/dbraw/zinc/38/49/00/219384900.db2.gz UEGVGYDKYPFZSG-VIFPVBQESA-N 0 0 333.207 1.444 10 30 EDEERN Cc1nc(CN2CCCN(C(=O)c3sccc3C#N)CC2)no1 ZINC000110946794 138307546 /nfs/dbraw/zinc/30/75/46/138307546.db2.gz KFSTYMJTLYUZQS-UHFFFAOYSA-N 0 0 331.401 1.659 10 30 EDEERN CCn1c(C)nnc1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000195195032 139009902 /nfs/dbraw/zinc/00/99/02/139009902.db2.gz NLXRUWPIIDNVEB-QGZVFWFLSA-N 0 0 338.371 1.445 10 30 EDEERN O=S(=O)(NC1CCSCC1)c1cccc(C#CCCO)c1 ZINC000136584372 223654758 /nfs/dbraw/zinc/65/47/58/223654758.db2.gz SHKHJXGEQQKUGK-UHFFFAOYSA-N 0 0 325.455 1.594 10 30 EDEERN C=CCN(CC=C)C(=O)[C@@H](C)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247102951 249314165 /nfs/dbraw/zinc/31/41/65/249314165.db2.gz IKRBETRFJWSVPZ-IAGOWNOFSA-N 0 0 332.448 1.481 10 30 EDEERN CSC(C)(C)CNS(=O)(=O)c1ccc(F)cc1C#CCO ZINC000157192436 533471234 /nfs/dbraw/zinc/47/12/34/533471234.db2.gz PKKQTOJACGPCJL-UHFFFAOYSA-N 0 0 331.434 1.589 10 30 EDEERN CCS(=O)(=O)[C@H]1CSCCN1c1cc(C)nc(C)c1C#N ZINC000156590296 224677117 /nfs/dbraw/zinc/67/71/17/224677117.db2.gz MSLGJXGYGRCXMD-AWEZNQCLSA-N 0 0 325.459 1.884 10 30 EDEERN N#CC1(CS(=O)(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)CC1 ZINC000166126453 226150132 /nfs/dbraw/zinc/15/01/32/226150132.db2.gz YQFRVOANAYMSGL-RISCZKNCSA-N 0 0 342.367 1.706 10 30 EDEERN N#Cc1ccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000123203309 222233435 /nfs/dbraw/zinc/23/34/35/222233435.db2.gz DQRHDQHHKZIFAO-RDTXWAMCSA-N 0 0 327.384 1.650 10 30 EDEERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000045408899 440981955 /nfs/dbraw/zinc/98/19/55/440981955.db2.gz JMMVZBOAVIIERA-OAHLLOKOSA-N 0 0 335.429 1.379 10 30 EDEERN CCc1noc([C@H](C)N2CCN(C(=O)c3ccc(C#N)cn3)CC2)n1 ZINC000112035571 441543445 /nfs/dbraw/zinc/54/34/45/441543445.db2.gz ZLWNSEAJFCHTJQ-LBPRGKRZSA-N 0 0 340.387 1.418 10 30 EDEERN N#Cc1ccc(C(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000151302487 442039925 /nfs/dbraw/zinc/03/99/25/442039925.db2.gz DRFPVOXTHYTXIY-QFBILLFUSA-N 0 0 341.411 1.442 10 30 EDEERN C=C(C)COCCNC(=O)N1CCN(Cc2cnc(C)s2)CC1 ZINC000151511981 442075657 /nfs/dbraw/zinc/07/56/57/442075657.db2.gz AQFYKIBRMCFQRC-UHFFFAOYSA-N 0 0 338.477 1.871 10 30 EDEERN C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000175663412 442101437 /nfs/dbraw/zinc/10/14/37/442101437.db2.gz XQDARPHKKZIFLX-PBHICJAKSA-N 0 0 328.416 1.420 10 30 EDEERN C#CCNC(=O)c1ccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)nc1 ZINC000186151112 442473488 /nfs/dbraw/zinc/47/34/88/442473488.db2.gz PYKFOMJNFKLUIP-HOTGVXAUSA-N 0 0 341.436 1.718 10 30 EDEERN Cc1nnc([C@H]2CN(Cc3ccc(O[C@@H](C)C#N)cc3)CCO2)[nH]1 ZINC000180109072 442542291 /nfs/dbraw/zinc/54/22/91/442542291.db2.gz AKFWEBQDPQYKKJ-BLLLJJGKSA-N 0 0 327.388 1.978 10 30 EDEERN N#Cc1ccc(CSCC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188524155 442759970 /nfs/dbraw/zinc/75/99/70/442759970.db2.gz GCYCVKWLYIFAMX-UHFFFAOYSA-N 0 0 343.452 1.919 10 30 EDEERN Cc1nc(C[C@H]2CCCN(CC(=O)N[C@](C)(C#N)C3CC3)C2)no1 ZINC000249890343 443008722 /nfs/dbraw/zinc/00/87/22/443008722.db2.gz QHSLPXHOJZBDCE-CXAGYDPISA-N 0 0 331.420 1.441 10 30 EDEERN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](c2nncn2CC)C1 ZINC000249905167 443008755 /nfs/dbraw/zinc/00/87/55/443008755.db2.gz URXFYAFAULIGMZ-CABCVRRESA-N 0 0 332.452 1.486 10 30 EDEERN Cc1nc(C[C@H]2CCCN(CC(=O)N(CCC#N)CCC#N)C2)no1 ZINC000195518344 443027787 /nfs/dbraw/zinc/02/77/87/443027787.db2.gz CMWHBEVITRUERT-OAHLLOKOSA-N 0 0 344.419 1.288 10 30 EDEERN CCCCOS(=O)(=O)C1(C[C@H](O)CO[C@@H]2CCCCO2)CC1 ZINC000205614422 443047878 /nfs/dbraw/zinc/04/78/78/443047878.db2.gz IVHCYAFXPAUPNS-UONOGXRCSA-N 0 0 336.450 1.960 10 30 EDEERN Cc1nc(/C=N/O)cc(C(=O)NCc2ccc3c(c2)NCCO3)n1 ZINC000584644403 448588604 /nfs/dbraw/zinc/58/86/04/448588604.db2.gz NEDKUPZGXBTKQK-DJKKODMXSA-N 0 0 327.344 1.327 10 30 EDEERN C=C(C)COCCNc1cnn(CCOC)c(=O)c1Br ZINC000164017439 526657946 /nfs/dbraw/zinc/65/79/46/526657946.db2.gz NISBGZAEFWIWAW-UHFFFAOYSA-N 0 0 346.225 1.657 10 30 EDEERN C#CCn1ncc(N[C@@H]2CCCSC2)c(Br)c1=O ZINC000158871044 527193773 /nfs/dbraw/zinc/19/37/73/527193773.db2.gz AXNMOPDCQSCMSV-SECBINFHSA-N 0 0 328.235 1.947 10 30 EDEERN CCOCCN1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000247200469 535605321 /nfs/dbraw/zinc/60/53/21/535605321.db2.gz OXQYCQLQNRZJFS-CVEARBPZSA-N 0 0 344.459 1.928 10 30 EDEERN O=C(NCCNC(=O)N1CCC[C@@H]1c1ccco1)C1N=CC=CC1=O ZINC000116549519 595975712 /nfs/dbraw/zinc/97/57/12/595975712.db2.gz AGWJPVDBBJQXIA-IUDBQGPFSA-N 0 0 344.371 1.653 10 30 EDEERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(C)(C)C#N ZINC000130728062 597617124 /nfs/dbraw/zinc/61/71/24/597617124.db2.gz QPELAMFRPQHGJW-GHMZBOCLSA-N 0 0 342.392 1.974 10 30 EDEERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3C)CCO2)[nH]1 ZINC000173734163 231017497 /nfs/dbraw/zinc/01/74/97/231017497.db2.gz KDPXHZBVTLEBRZ-CYBMUJFWSA-N 0 0 347.400 1.055 10 30 EDEERN C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(Br)cc1N ZINC000063086239 214742576 /nfs/dbraw/zinc/74/25/76/214742576.db2.gz AIVFPSNBTPDPHU-MRVPVSSYSA-N 0 0 332.223 1.954 10 30 EDEERN CN1CCO[C@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000150856059 529789421 /nfs/dbraw/zinc/78/94/21/529789421.db2.gz JCRVJZGOSVZHPI-LLVKDONJSA-N 0 0 340.330 1.612 10 30 EDEERN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000133498033 237240472 /nfs/dbraw/zinc/24/04/72/237240472.db2.gz BHVKKRPBSQRDJB-NEPJUHHUSA-N 0 0 326.360 1.705 10 30 EDEERN CCCCOC[C@@H](O)CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000195183108 139009174 /nfs/dbraw/zinc/00/91/74/139009174.db2.gz DULPOMCDWMFWTC-GJZGRUSLSA-N 0 0 333.436 1.036 10 30 EDEERN C#CCOCCC(=O)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 ZINC000374243449 250257629 /nfs/dbraw/zinc/25/76/29/250257629.db2.gz HYNKQJJGKYAOLO-GFCCVEGCSA-N 0 0 347.396 1.738 10 30 EDEERN CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)c2ncccc2C#N)C1 ZINC000095083147 218274894 /nfs/dbraw/zinc/27/48/94/218274894.db2.gz AGAMKUGHBFAEIJ-LBPRGKRZSA-N 0 0 337.401 1.736 10 30 EDEERN N#Cc1ccccc1OCC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118673756 221168098 /nfs/dbraw/zinc/16/80/98/221168098.db2.gz HSPKJBASJFJIDY-OAHLLOKOSA-N 0 0 337.383 1.512 10 30 EDEERN COc1ccc(C#N)cc1CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000159990725 533270356 /nfs/dbraw/zinc/27/03/56/533270356.db2.gz MKPHJPVJQCKJKT-QGZVFWFLSA-N 0 0 326.400 1.973 10 30 EDEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000177637343 266958172 /nfs/dbraw/zinc/95/81/72/266958172.db2.gz RFZVSNYTUFCNPP-SNVBAGLBSA-N 0 0 332.385 1.035 10 30 EDEERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000045406564 440982375 /nfs/dbraw/zinc/98/23/75/440982375.db2.gz DDSGEOZQYCBKFY-HNNXBMFYSA-N 0 0 335.429 1.379 10 30 EDEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N1CCOCC1 ZINC000080337815 441162517 /nfs/dbraw/zinc/16/25/17/441162517.db2.gz MBDVJZOUHYZFDR-MAUKXSAKSA-N 0 0 345.443 1.799 10 30 EDEERN C#CCNC(=O)c1ccc(NCc2nc(-c3cccs3)n[nH]2)nc1 ZINC000080981202 441217494 /nfs/dbraw/zinc/21/74/94/441217494.db2.gz UGJMQIBJFLVHEK-UHFFFAOYSA-N 0 0 338.396 1.903 10 30 EDEERN COCCN1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000105831688 441286091 /nfs/dbraw/zinc/28/60/91/441286091.db2.gz YZWJBUXCJYXDFP-GJZGRUSLSA-N 0 0 330.432 1.538 10 30 EDEERN C#CCNC(=O)[C@H](C)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874533 441303174 /nfs/dbraw/zinc/30/31/74/441303174.db2.gz IDEOPFDLUWZNKD-GJZGRUSLSA-N 0 0 335.473 1.191 10 30 EDEERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)CCCCC#N)CC2)n1 ZINC000111344807 441534927 /nfs/dbraw/zinc/53/49/27/441534927.db2.gz MIPOETDIWXLSHK-LBPRGKRZSA-N 0 0 341.437 1.080 10 30 EDEERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000115389804 441735713 /nfs/dbraw/zinc/73/57/13/441735713.db2.gz LPOVHTVOICGNML-UHFFFAOYSA-N 0 0 338.415 1.262 10 30 EDEERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(C)c1C#N ZINC000125862484 442056180 /nfs/dbraw/zinc/05/61/80/442056180.db2.gz IMTQISADHDYXBD-CYBMUJFWSA-N 0 0 331.401 1.580 10 30 EDEERN C#CCCCCNC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000120469545 442078244 /nfs/dbraw/zinc/07/82/44/442078244.db2.gz CEKZOKIHDAFIDY-GFCCVEGCSA-N 0 0 333.413 1.033 10 30 EDEERN N#Cc1ccc(OCCNC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000175984370 442157240 /nfs/dbraw/zinc/15/72/40/442157240.db2.gz WROLLURAVJVRAZ-OAHLLOKOSA-N 0 0 340.387 1.575 10 30 EDEERN C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000127689062 442219775 /nfs/dbraw/zinc/21/97/75/442219775.db2.gz CUDWULPRYFUSBJ-LBPRGKRZSA-N 0 0 328.372 1.596 10 30 EDEERN N#CCOc1cccc(CC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000179399956 442642091 /nfs/dbraw/zinc/64/20/91/442642091.db2.gz SZYQZLBSOSNQAZ-OAHLLOKOSA-N 0 0 325.372 1.587 10 30 EDEERN C[C@H](Oc1ccccc1C#N)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188507257 442758247 /nfs/dbraw/zinc/75/82/47/442758247.db2.gz CVYDTWLSCVRQIM-LBPRGKRZSA-N 0 0 327.384 1.453 10 30 EDEERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)NC3(C#N)CCCCC3)CCO2)[nH]1 ZINC000247226938 442842201 /nfs/dbraw/zinc/84/22/01/442842201.db2.gz WNQJKICXHZBCBP-OCCSQVGLSA-N 0 0 346.435 1.218 10 30 EDEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CN(C)CCO1 ZINC000194604965 442921775 /nfs/dbraw/zinc/92/17/75/442921775.db2.gz VMTQLBPWTLLOLX-RDJZCZTQSA-N 0 0 331.416 1.408 10 30 EDEERN Cc1noc([C@H]2COCCN2CC(=O)Nc2sccc2C#N)n1 ZINC000185072681 443129807 /nfs/dbraw/zinc/12/98/07/443129807.db2.gz CEXPVDINWKVGOD-LLVKDONJSA-N 0 0 333.373 1.323 10 30 EDEERN CC1=C(C(=O)COc2cc(C)nn3cnnc23)[C@@H]2C=CC=C[C@@H]2N1C ZINC000575422464 447858139 /nfs/dbraw/zinc/85/81/39/447858139.db2.gz MHCWIJITHRXSEQ-KGLIPLIRSA-N 0 0 337.383 1.711 10 30 EDEERN CN(C)C(=O)C[C@@]1(O)CCCN(c2c(C#N)nnc3ccccc32)C1 ZINC000591617680 448410441 /nfs/dbraw/zinc/41/04/41/448410441.db2.gz HPNNKYCGIMIZLN-SFHVURJKSA-N 0 0 339.399 1.311 10 30 EDEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000173729192 534257197 /nfs/dbraw/zinc/25/71/97/534257197.db2.gz KMDBZUAFKAGHMK-OAHLLOKOSA-N 0 0 330.413 1.917 10 30 EDEERN C[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 ZINC000173878750 534306553 /nfs/dbraw/zinc/30/65/53/534306553.db2.gz RYTVXVGRMXELST-PBHICJAKSA-N 0 0 345.468 1.829 10 30 EDEERN C#CCN(C)S(=O)(=O)c1cc(CO)cc(C)c1Br ZINC000158637334 526831301 /nfs/dbraw/zinc/83/13/01/526831301.db2.gz XVXZHMSRGWPSRV-UHFFFAOYSA-N 0 0 332.219 1.504 10 30 EDEERN C=CCOc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1OC ZINC000174309739 526838817 /nfs/dbraw/zinc/83/88/17/526838817.db2.gz DGHPMBVAHIVAMD-LSDHHAIUSA-N 0 0 348.443 1.787 10 30 EDEERN C=CCSCCNC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000111844268 526989195 /nfs/dbraw/zinc/98/91/95/526989195.db2.gz WBAXKOUANGFXAQ-HNNXBMFYSA-N 0 0 338.477 1.830 10 30 EDEERN C=CCSCCNC(=O)N1CCO[C@H](c2nnc(CC)[nH]2)C1 ZINC000178027119 526990231 /nfs/dbraw/zinc/99/02/31/526990231.db2.gz DDFPZEFFFLXGJG-NSHDSACASA-N 0 0 325.438 1.369 10 30 EDEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182810716 527197662 /nfs/dbraw/zinc/19/76/62/527197662.db2.gz HKNGAHIZAWAUIN-WCQYABFASA-N 0 0 326.418 1.387 10 30 EDEERN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)CC#N ZINC000064346355 697656891 /nfs/dbraw/zinc/65/68/91/697656891.db2.gz FHEPUOMWGPKPCI-FZMZJTMJSA-N 0 0 348.428 1.168 10 30 EDEERN CC(=O)OC[C@@H](C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)N2C)c1ccccc1 ZINC000103526279 219311895 /nfs/dbraw/zinc/31/18/95/219311895.db2.gz MSHGLMJGKAVEEA-OBRKIGFESA-N 0 0 345.395 1.489 10 30 in-vitro EDEERN N#Cc1cc(F)c(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c(F)c1 ZINC000124249431 283098141 /nfs/dbraw/zinc/09/81/41/283098141.db2.gz KMAYGTTVKJVTLO-GFCCVEGCSA-N 0 0 341.383 1.695 10 30 EDEERN N#Cc1ccc(N2CC3(C2)CCN(C(=O)c2cscn2)C3)nc1 ZINC000096070913 283152987 /nfs/dbraw/zinc/15/29/87/283152987.db2.gz IVRVROIUBTURJF-UHFFFAOYSA-N 0 0 325.397 1.762 10 30 EDEERN N#C[C@H]1COCCN1C[C@@H](O)COc1cccc(Br)c1 ZINC000089129957 237003646 /nfs/dbraw/zinc/00/36/46/237003646.db2.gz AZYHSEDVZSFVKE-QWHCGFSZSA-N 0 0 341.205 1.413 10 30 EDEERN C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1nnc2n1CCCC2 ZINC000133225333 237239161 /nfs/dbraw/zinc/23/91/61/237239161.db2.gz VYZTWWGMKXZQGN-ZDUSSCGKSA-N 0 0 339.399 1.937 10 30 EDEERN C=CCNS(=O)(=O)c1cc(C(=O)OC)sc1Br ZINC000070254829 202321166 /nfs/dbraw/zinc/32/11/66/202321166.db2.gz MWQLDGCKZZTTOW-UHFFFAOYSA-N 0 0 340.220 1.762 10 30 EDEERN C[C@H]1CSCCN1S(=O)(=O)c1ccccc1C#CCCO ZINC000070224213 202321696 /nfs/dbraw/zinc/32/16/96/202321696.db2.gz DASQWGZQJIYBBJ-ZDUSSCGKSA-N 0 0 325.455 1.547 10 30 EDEERN N#CCN(CC#N)S(=O)(=O)c1cc(Br)ccc1N ZINC000037929038 202377741 /nfs/dbraw/zinc/37/77/41/202377741.db2.gz PQWXRZKWLUUPCH-UHFFFAOYSA-N 0 0 329.179 1.069 10 30 EDEERN C=CCC[C@@H](C[NH+]1CCC(C(=O)[O-])CC1)Oc1cc(OC)ncn1 ZINC000072419815 216209081 /nfs/dbraw/zinc/20/90/81/216209081.db2.gz OFSOKVUMOQBRIS-AWEZNQCLSA-N 0 0 335.404 1.995 10 30 EDEERN OC[C@@H](O)COc1ccc(Cc2ccc(OC[C@@H]3CO3)cc2)cc1 ZINC000090726108 201373422 /nfs/dbraw/zinc/37/34/22/201373422.db2.gz LNYFNDSFIABLEP-VQIMIIECSA-N 0 0 330.380 1.787 10 30 EDEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000155812066 205040441 /nfs/dbraw/zinc/04/04/41/205040441.db2.gz GNGZVKRMQWRRMC-WFASDCNBSA-N 0 0 338.429 1.999 10 30 EDEERN N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cc1Cl ZINC000155637659 205025454 /nfs/dbraw/zinc/02/54/54/205025454.db2.gz NPGGHMCTMINVPU-BXUZGUMPSA-N 0 0 335.791 1.817 10 30 EDEERN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000246413164 139107578 /nfs/dbraw/zinc/10/75/78/139107578.db2.gz KEPXURYGNAAEKD-RHSMWYFYSA-N 0 0 328.416 1.149 10 30 EDEERN Cn1nccc1[C@H]1[C@@H](C(=O)Nc2cnn(C(F)F)c2)CC(=O)N1C ZINC000330338911 249852904 /nfs/dbraw/zinc/85/29/04/249852904.db2.gz WALVVUODZNYOFX-JOYOIKCWSA-N 0 0 338.318 1.819 10 30 EDEERN N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](n3cncn3)C2)cc1 ZINC000176231090 207203123 /nfs/dbraw/zinc/20/31/23/207203123.db2.gz WRFOVXACXNZFRI-HNNXBMFYSA-N 0 0 345.428 1.261 10 30 EDEERN Cc1cccc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)c1C#N ZINC000177401905 207331114 /nfs/dbraw/zinc/33/11/14/207331114.db2.gz ISTXNNJBAKMWRC-AWEZNQCLSA-N 0 0 326.400 1.502 10 30 EDEERN N#Cc1ccc(S(=O)(=O)N2CCC(Nc3cccnn3)CC2)cc1 ZINC000122226858 222041900 /nfs/dbraw/zinc/04/19/00/222041900.db2.gz JSTMLWJHOQKMBE-UHFFFAOYSA-N 0 0 343.412 1.613 10 30 EDEERN COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)O[C@H](CC(C)=O)C[C@@H]3O ZINC000015204284 277475552 /nfs/dbraw/zinc/47/55/52/277475552.db2.gz XCCPWOLOVUKRKJ-SFYZADRCSA-N 0 0 348.307 1.171 10 30 EDEERN CC1(C)S[C@H]2[C@H](/[NH+]=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)[O-] ZINC000003830204 440906883 /nfs/dbraw/zinc/90/68/83/440906883.db2.gz BWWVAEOLVKTZFQ-VETDHQSRSA-N 0 0 325.434 1.406 10 30 EDEERN C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(F)c(F)c1 ZINC000086432508 441465952 /nfs/dbraw/zinc/46/59/52/441465952.db2.gz LIKYSEUYUMNBCT-SNVBAGLBSA-N 0 0 347.325 1.891 10 30 EDEERN CCc1nnc([C@@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)[nH]1 ZINC000136785826 441723717 /nfs/dbraw/zinc/72/37/17/441723717.db2.gz YQECJTOWZJJICS-AWEZNQCLSA-N 0 0 340.387 1.522 10 30 EDEERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(C)c1C#N ZINC000125862754 442056127 /nfs/dbraw/zinc/05/61/27/442056127.db2.gz IMTQISADHDYXBD-ZDUSSCGKSA-N 0 0 331.401 1.580 10 30 EDEERN COc1ccc(C2=NO[C@@H]3[C@H]4CO[C@H](O4)C(=NNC(C)=S)[C@@H]23)cc1 ZINC000096482276 442140580 /nfs/dbraw/zinc/14/05/80/442140580.db2.gz WKUKFHWOJANEEF-CZPYZCIJSA-N 0 0 347.396 1.462 10 30 EDEERN CCc1nnc([C@@H]2CN(C(=O)c3c(F)cc(C#N)cc3F)CCO2)[nH]1 ZINC000121314533 442202118 /nfs/dbraw/zinc/20/21/18/442202118.db2.gz DXRDQNYIJWGXCG-LBPRGKRZSA-N 0 0 347.325 1.731 10 30 EDEERN C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C1CC1 ZINC000176934312 442275437 /nfs/dbraw/zinc/27/54/37/442275437.db2.gz WPAQREDXXDYIBO-LLVKDONJSA-N 0 0 338.371 1.051 10 30 EDEERN C=CCSCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000172206469 442424032 /nfs/dbraw/zinc/42/40/32/442424032.db2.gz FRLGHYBIYYZMQT-HIFRSBDPSA-N 0 0 336.461 1.365 10 30 EDEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000178515146 442440362 /nfs/dbraw/zinc/44/03/62/442440362.db2.gz SIPPYVZAPDIOGZ-OAHLLOKOSA-N 0 0 326.400 1.502 10 30 EDEERN N#Cc1ccc(SCC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000172759457 442536396 /nfs/dbraw/zinc/53/63/96/442536396.db2.gz JKCLENGTEVNLOH-HNNXBMFYSA-N 0 0 331.441 1.583 10 30 EDEERN C=CCNC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000181645744 442708284 /nfs/dbraw/zinc/70/82/84/442708284.db2.gz ODXBOHPGYRTWNH-YOEHRIQHSA-N 0 0 329.400 1.015 10 30 EDEERN N#Cc1ccc(SCC(=O)N2CC(NC(=O)C3CCC3)C2)cc1 ZINC000188515911 442759025 /nfs/dbraw/zinc/75/90/25/442759025.db2.gz XWEPTMJDBQMHBB-UHFFFAOYSA-N 0 0 329.425 1.777 10 30 EDEERN N#Cc1cccnc1N1CCN(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000194702551 442939072 /nfs/dbraw/zinc/93/90/72/442939072.db2.gz HMSHLPXJDJRQFW-INIZCTEOSA-N 0 0 349.394 1.919 10 30 EDEERN COc1cc(C=NN2C(=O)CSC2=S)cc(OC)c1OC ZINC000254874435 443078171 /nfs/dbraw/zinc/07/81/71/443078171.db2.gz YYNUNFGXWVOPIO-UHFFFAOYSA-N 0 0 326.399 1.907 10 30 EDEERN C#C[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000185373621 443190926 /nfs/dbraw/zinc/19/09/26/443190926.db2.gz CWHCXSQCHIFVRK-IAQYHMDHSA-N 0 0 327.409 1.821 10 30 EDEERN C=CCC[C@@H](NC(=O)N1CC(NC(=O)COC)C1)c1ccccc1 ZINC000185694192 443239900 /nfs/dbraw/zinc/23/99/00/443239900.db2.gz NKCRODLMNCIQCF-MRXNPFEDSA-N 0 0 331.416 1.850 10 30 EDEERN N#Cc1cccc(OCCCN2CCC[C@H]2c2nc(C(N)=O)no2)c1 ZINC000328645661 444411917 /nfs/dbraw/zinc/41/19/17/444411917.db2.gz SGAGFPIAZHHBKD-AWEZNQCLSA-N 0 0 341.371 1.646 10 30 EDEERN COC(=O)C1(C#N)CCN(C(=O)Cn2nc(C(F)F)cc2C)CC1 ZINC000584646291 448588765 /nfs/dbraw/zinc/58/87/65/448588765.db2.gz MYUNSBMAIHHSKW-UHFFFAOYSA-N 0 0 340.330 1.435 10 30 EDEERN N#Cc1cc(Br)ccc1N1CC[C@@](O)(Cn2ccnn2)C1 ZINC000585788506 448771988 /nfs/dbraw/zinc/77/19/88/448771988.db2.gz FEZISDFUYJGRKS-AWEZNQCLSA-N 0 0 348.204 1.554 10 30 EDEERN Cn1cnnc1C[C@]1(O)CCCN(Cc2cccc(C#N)c2F)C1 ZINC000888077511 590933351 /nfs/dbraw/zinc/93/33/51/590933351.db2.gz FYECTIUVDSMWQZ-QGZVFWFLSA-N 0 0 329.379 1.395 10 30 EDEERN Cc1ocnc1C(=O)NC[C@H]1CN(c2cccc(C#N)n2)CCCO1 ZINC000888103561 591031138 /nfs/dbraw/zinc/03/11/38/591031138.db2.gz MYFLYKCJONFARP-AWEZNQCLSA-N 0 0 341.371 1.275 10 30 EDEERN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000131205641 597684575 /nfs/dbraw/zinc/68/45/75/597684575.db2.gz PXQOIHHTZFJJTM-QGZVFWFLSA-N 0 0 340.431 1.345 10 30 EDEERN CCOP(=O)(OCC)OC(=O)/C(=N\OC)c1csc(N)n1 ZINC000021992437 202076448 /nfs/dbraw/zinc/07/64/48/202076448.db2.gz BRUBDJZPDAPQRE-JYRVWZFOSA-N 0 0 337.294 1.800 10 30 EDEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)COc1ccccc1C#N)CC2 ZINC000133932322 138399918 /nfs/dbraw/zinc/39/99/18/138399918.db2.gz MSWRQAXXBPZFHJ-CQSZACIVSA-N 0 0 339.399 1.783 10 30 EDEERN CCOC(=O)c1cn(NCC=O)c2cc(Cl)c(F)cc2c1=O ZINC000033609930 212956994 /nfs/dbraw/zinc/95/69/94/212956994.db2.gz BURGPSIRKDMUIM-UHFFFAOYSA-N 0 0 326.711 1.713 10 30 EDEERN N#C[C@H]1COCCN1C[C@H](O)COc1cccc(Br)c1 ZINC000089129958 237002376 /nfs/dbraw/zinc/00/23/76/237002376.db2.gz AZYHSEDVZSFVKE-STQMWFEESA-N 0 0 341.205 1.413 10 30 EDEERN CSC[C@H](C)CNS(=O)(=O)c1cc(C#CCO)ccc1C ZINC000069462496 202283978 /nfs/dbraw/zinc/28/39/78/202283978.db2.gz MZTHZLNKTHQOJO-GFCCVEGCSA-N 0 0 327.471 1.616 10 30 EDEERN CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cccc1C2=O ZINC000005839529 201057437 /nfs/dbraw/zinc/05/74/37/201057437.db2.gz AVCPRTNVVRPELB-YRUZYCQGSA-N 0 0 328.320 1.951 10 30 endogenous,in-man EDEERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000190980169 138901766 /nfs/dbraw/zinc/90/17/66/138901766.db2.gz DMHIIUBLRCXDOC-SECBINFHSA-N 0 0 327.793 1.111 10 30 EDEERN N#Cc1cc(N)c(O[C@@H]2CCOC2)c(I)c1 ZINC000069606752 203027098 /nfs/dbraw/zinc/02/70/98/203027098.db2.gz LSYIJXOMDMXAOW-MRVPVSSYSA-N 0 0 330.125 1.913 10 30 EDEERN C[C@@H](C(=O)[O-])N1C(=O)c2c(cccc2OC2CC[NH+](C)CC2)C1C#N ZINC000071682798 203103196 /nfs/dbraw/zinc/10/31/96/203103196.db2.gz SPTSXLXSEUSQJQ-SMDDNHRTSA-N 0 0 343.383 1.653 10 30 EDEERN COC(=O)c1cnn2c1nnc1c2ccn(-c2ccccc2C#N)c1=O ZINC000072466113 203229337 /nfs/dbraw/zinc/22/93/37/203229337.db2.gz FNGIGLYQUDQGOB-UHFFFAOYSA-N 0 0 346.306 1.087 10 30 EDEERN COc1cc(C#N)ccc1CN1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000120882450 204767457 /nfs/dbraw/zinc/76/74/57/204767457.db2.gz KVCZVFLGBDINOE-QGZVFWFLSA-N 0 0 326.400 1.973 10 30 EDEERN C#CCOc1ccc(C(=O)N[C@@H]2CCCn3nc(COC)nc32)cc1 ZINC000155276956 205005160 /nfs/dbraw/zinc/00/51/60/205005160.db2.gz XDKCVHSGFXQXDP-OAHLLOKOSA-N 0 0 340.383 1.701 10 30 EDEERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccccc1C#N ZINC000126602414 205064440 /nfs/dbraw/zinc/06/44/40/205064440.db2.gz OAAXZYGIQGGTPH-GFCCVEGCSA-N 0 0 347.400 1.110 10 30 EDEERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(C)c1C#N)CC2 ZINC000157596676 205224357 /nfs/dbraw/zinc/22/43/57/205224357.db2.gz OBXAYTWRLXOCIR-GFCCVEGCSA-N 0 0 345.428 1.314 10 30 EDEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000333586926 249943499 /nfs/dbraw/zinc/94/34/99/249943499.db2.gz KSXGREJXYJIYJV-GVDBMIGSSA-N 0 0 340.427 1.821 10 30 EDEERN C/C(=N/OCC(=O)OCC(=O)c1ccc[nH]1)c1ccc2c(c1)OCO2 ZINC000097998280 441148648 /nfs/dbraw/zinc/14/86/48/441148648.db2.gz JRXCKMRHDRIGSX-ODLFYWEKSA-N 0 0 344.323 1.910 10 30 EDEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000105278983 441247067 /nfs/dbraw/zinc/24/70/67/441247067.db2.gz RZJYLCLJOODKHZ-KRWDZBQOSA-N 0 0 333.432 1.723 10 30 EDEERN CC(C)[C@@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000113785193 441625077 /nfs/dbraw/zinc/62/50/77/441625077.db2.gz KWIATOODYCRGNA-IUODEOHRSA-N 0 0 342.399 1.924 10 30 EDEERN CCOCCN1CCN(C(=O)COc2ccccc2C#N)C[C@H]1CC ZINC000116768253 441842691 /nfs/dbraw/zinc/84/26/91/441842691.db2.gz QWXZODLXYGIJGY-QGZVFWFLSA-N 0 0 345.443 1.896 10 30 EDEERN N#CCCn1ccc(NC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)n1 ZINC000123537041 441890884 /nfs/dbraw/zinc/89/08/84/441890884.db2.gz CMBYSNKFHMOIHR-UHFFFAOYSA-N 0 0 341.415 1.676 10 30 EDEERN C[C@@H](CNC(=O)NCc1ccc(OCC#N)cc1)N1CCOCC1 ZINC000069767901 442034053 /nfs/dbraw/zinc/03/40/53/442034053.db2.gz SCINFTRRYLHTDY-AWEZNQCLSA-N 0 0 332.404 1.109 10 30 EDEERN CCc1nnc([C@H]2CN(C(=O)c3c(F)cc(C#N)cc3F)CCO2)[nH]1 ZINC000121314684 442202297 /nfs/dbraw/zinc/20/22/97/442202297.db2.gz DXRDQNYIJWGXCG-GFCCVEGCSA-N 0 0 347.325 1.731 10 30 EDEERN Cc1ccc([C@H](CNC(=O)CSCC#N)N2CCOCC2)s1 ZINC000177969361 442398296 /nfs/dbraw/zinc/39/82/96/442398296.db2.gz PAZHFPUPZPQSLK-ZDUSSCGKSA-N 0 0 339.486 1.803 10 30 EDEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178528401 442441275 /nfs/dbraw/zinc/44/12/75/442441275.db2.gz JFYHAMFAKUVJFZ-BEFAXECRSA-N 0 0 341.411 1.959 10 30 EDEERN Cc1nnc([C@H]2CN(CCCOc3cccc(C#N)c3)CCO2)[nH]1 ZINC000156556358 442493825 /nfs/dbraw/zinc/49/38/25/442493825.db2.gz RCBVVMWZKKAUQF-MRXNPFEDSA-N 0 0 327.388 1.827 10 30 EDEERN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188128340 442714491 /nfs/dbraw/zinc/71/44/91/442714491.db2.gz CKVNBKHWKASRHT-VYDXJSESSA-N 0 0 335.473 1.810 10 30 EDEERN Cc1ccc(C)c(-n2nc(C#N)c(N(C)[C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000256048921 443116064 /nfs/dbraw/zinc/11/60/64/443116064.db2.gz XBHYAYYOJHTMMU-CYBMUJFWSA-N 0 0 345.428 1.379 10 30 EDEERN CCC[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[NH+](C)C ZINC000245503616 443232657 /nfs/dbraw/zinc/23/26/57/443232657.db2.gz CZDYGLDCUSVTMD-ROUUACIJSA-N 0 0 328.460 1.953 10 30 EDEERN Cn1cc(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccs2)cn1 ZINC000328635688 444406666 /nfs/dbraw/zinc/40/66/66/444406666.db2.gz NOTRJHBKTIAPNR-JQWIXIFHSA-N 0 0 338.412 1.815 10 30 EDEERN COc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)on1 ZINC000328640300 444409031 /nfs/dbraw/zinc/40/90/31/444409031.db2.gz PZWAZKBPQAILOE-RYUDHWBXSA-N 0 0 335.339 1.390 10 30 EDEERN Cc1nnc(CN(C)[C@H]2CN(c3cccc(F)c3C#N)C[C@H]2O)o1 ZINC000328654916 444416317 /nfs/dbraw/zinc/41/63/17/444416317.db2.gz XVKVTIKUUBODIY-LSDHHAIUSA-N 0 0 331.351 1.070 10 30 EDEERN CCc1[nH]c(=O)c(C(=O)NCC#N)cc1I ZINC000584632990 448587978 /nfs/dbraw/zinc/58/79/78/448587978.db2.gz UDHMXJJJTFNBDQ-UHFFFAOYSA-N 0 0 331.113 1.208 10 30 EDEERN CCOC(=O)C(N=Nc1sc2c(c1C(N)=O)CCCC2)C(C)=O ZINC000039931769 520397139 /nfs/dbraw/zinc/39/71/39/520397139.db2.gz SRWAQYRPRSTOAE-SFQUDFHCSA-N 0 0 337.401 1.646 10 30 EDEERN CC(C)CCN(CCC#N)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000103440508 527714315 /nfs/dbraw/zinc/71/43/15/527714315.db2.gz FDPQHBLOIYFIJW-UHFFFAOYSA-N 0 0 329.447 1.797 10 30 EDEERN Cc1noc([C@@H]2CC(=O)N(C3CN(c4cccc(F)c4C#N)C3)C2)n1 ZINC000864308309 596827846 /nfs/dbraw/zinc/82/78/46/596827846.db2.gz UJFNAWCVGSTJLN-LLVKDONJSA-N 0 0 341.346 1.594 10 30 EDEERN N#Cc1ccc(CSCC(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000112655182 138309480 /nfs/dbraw/zinc/30/94/80/138309480.db2.gz UXXCPTKQFAQTAJ-AWEZNQCLSA-N 0 0 327.413 1.514 10 30 EDEERN N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000132687839 138381039 /nfs/dbraw/zinc/38/10/39/138381039.db2.gz KEVCSIVMNUPGAM-OAHLLOKOSA-N 0 0 329.381 1.795 10 30 EDEERN CNC(=O)[C@H]1CC(=O)N/C(=N\N=C(\C)c2ccc(Cl)cc2)S1 ZINC000033248653 202252847 /nfs/dbraw/zinc/25/28/47/202252847.db2.gz NATQPVDQBRWTCA-JSKDENIMSA-N 0 0 338.820 1.788 10 30 EDEERN Cc1ccccc1[C@@H](C)NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000111789300 237116286 /nfs/dbraw/zinc/11/62/86/237116286.db2.gz RQVDNHOGVFANJV-PHODEOQFSA-N 0 0 342.399 1.882 10 30 EDEERN C[C@@H]1CN(S(=O)(=O)c2ccccc2C#CCO)C[C@H](C)S1 ZINC000070388934 202332809 /nfs/dbraw/zinc/33/28/09/202332809.db2.gz DEMRBWKRXUXDQM-BETUJISGSA-N 0 0 325.455 1.545 10 30 EDEERN C=CCC[C@H](CN(C)CC(=O)N(C)C)Oc1ncc(Cl)cn1 ZINC000072407514 216198866 /nfs/dbraw/zinc/19/88/66/216198866.db2.gz ZFIPWTXNMJBLFO-CYBMUJFWSA-N 0 0 326.828 1.864 10 30 EDEERN COc1ccc(S(=O)(=O)NC[C@@H](C)SC)cc1C#CCO ZINC000163248718 201417841 /nfs/dbraw/zinc/41/78/41/201417841.db2.gz XTMSZBUKFUOUQN-LLVKDONJSA-N 0 0 329.443 1.069 10 30 EDEERN CCOc1ccc(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 ZINC000003277488 201562620 /nfs/dbraw/zinc/56/26/20/201562620.db2.gz NBBUFDYODGBQRV-NTEUORMPSA-N 0 0 339.329 1.899 10 30 EDEERN N#Cc1cccc(NC(=O)C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)c1 ZINC000070813837 203081906 /nfs/dbraw/zinc/08/19/06/203081906.db2.gz IIOZCQWZQLCYKH-UHFFFAOYSA-N 0 0 340.295 1.770 10 30 EDEERN C#CCNC(=O)[C@H](C)Nc1ccc(I)cc1 ZINC000020365250 212122877 /nfs/dbraw/zinc/12/28/77/212122877.db2.gz RPGVSESBRPRNOB-VIFPVBQESA-N 0 0 328.153 1.841 10 30 EDEERN N#Cc1cc(F)c(C(=O)N2CCCN(c3cccnn3)CC2)c(F)c1 ZINC000152314567 204276446 /nfs/dbraw/zinc/27/64/46/204276446.db2.gz NFPJRFGZGYLWTM-UHFFFAOYSA-N 0 0 343.337 1.979 10 30 EDEERN C#CCSCCNC(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156203314 205069388 /nfs/dbraw/zinc/06/93/88/205069388.db2.gz UWHNSXRVVCQYBQ-UHFFFAOYSA-N 0 0 344.234 1.636 10 30 EDEERN C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)N1CCOCC1 ZINC000129389966 205194012 /nfs/dbraw/zinc/19/40/12/205194012.db2.gz KSQBEDPGIVZHQE-AWEZNQCLSA-N 0 0 331.416 1.553 10 30 EDEERN Cc1ccc(S(=O)(=O)NC2CCSCC2)c(C#CCO)c1 ZINC000136584205 223654474 /nfs/dbraw/zinc/65/44/74/223654474.db2.gz DPCRKESGPGNRTE-UHFFFAOYSA-N 0 0 325.455 1.513 10 30 EDEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(CCOCC)[C@@H](C)C1 ZINC000247440368 249316664 /nfs/dbraw/zinc/31/66/64/249316664.db2.gz ZUOIBALNOGEMBH-DLBZAZTESA-N 0 0 325.497 1.842 10 30 EDEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000247117265 249314058 /nfs/dbraw/zinc/31/40/58/249314058.db2.gz JJDOOYQIDZBADC-IAGOWNOFSA-N 0 0 334.464 1.705 10 30 EDEERN N#Cc1cccc(CS(=O)(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000111343413 207585343 /nfs/dbraw/zinc/58/53/43/207585343.db2.gz WNQSDCGKGNTUDT-CQSZACIVSA-N 0 0 349.437 1.918 10 30 EDEERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)CCCCC#N ZINC000170888047 533074922 /nfs/dbraw/zinc/07/49/22/533074922.db2.gz MOOYHWOHINQAQF-RDBSUJKOSA-N 0 0 328.434 1.816 10 30 EDEERN C=CCn1c(C)cc(C(=O)CN2CCN(C[C@H](O)CC)CC2)c1C ZINC000118859094 221198253 /nfs/dbraw/zinc/19/82/53/221198253.db2.gz VHVGLQCVXPMNKQ-QGZVFWFLSA-N 0 0 333.476 1.862 10 30 EDEERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccc(C#N)cc3)CCO2)c1 ZINC000105891678 272920556 /nfs/dbraw/zinc/92/05/56/272920556.db2.gz NIEJPXXLXRWBFZ-QGZVFWFLSA-N 0 0 339.399 1.403 10 30 EDEERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(C#N)cn3)CCO2)n1 ZINC000110899499 272924131 /nfs/dbraw/zinc/92/41/31/272924131.db2.gz BYAZZATVYNRGDM-OAHLLOKOSA-N 0 0 325.372 1.308 10 30 EDEERN N#CC1(NS(=O)(=O)c2cncc(Br)c2)CCCC1 ZINC000044243160 440826530 /nfs/dbraw/zinc/82/65/30/440826530.db2.gz ZSZMGGSECRWNLC-UHFFFAOYSA-N 0 0 330.207 1.959 10 30 EDEERN Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(C#N)cn3)CC2)n1 ZINC000110892412 441524839 /nfs/dbraw/zinc/52/48/39/441524839.db2.gz VSIIRPGVHGQGLC-NSHDSACASA-N 0 0 326.360 1.164 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000076240787 441616389 /nfs/dbraw/zinc/61/63/89/441616389.db2.gz GMWAANDEIXQZOH-SMDDNHRTSA-N 0 0 334.347 1.460 10 30 EDEERN Cc1cccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1C#N ZINC000173383177 441729488 /nfs/dbraw/zinc/72/94/88/441729488.db2.gz VLQSKVRXJFFWKV-ZDUSSCGKSA-N 0 0 337.383 1.555 10 30 EDEERN Cc1nnc([C@H]2CN(CCC(=O)Nc3cccc(C#N)c3)CCO2)[nH]1 ZINC000173656019 441815702 /nfs/dbraw/zinc/81/57/02/441815702.db2.gz LZDCNGGJXGHPQH-OAHLLOKOSA-N 0 0 340.387 1.387 10 30 EDEERN Cc1cccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1C#N ZINC000123161559 441877352 /nfs/dbraw/zinc/87/73/52/441877352.db2.gz SVZFBGGEHOHBFR-AUUYWEPGSA-N 0 0 341.411 1.959 10 30 EDEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000161348406 441988895 /nfs/dbraw/zinc/98/88/95/441988895.db2.gz URXFYAFAULIGMZ-LSDHHAIUSA-N 0 0 332.452 1.486 10 30 EDEERN C#CCOCCC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000152365620 442203851 /nfs/dbraw/zinc/20/38/51/442203851.db2.gz VUUDTVZJTRQFKI-UHFFFAOYSA-N 0 0 332.404 1.021 10 30 EDEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(C#N)cc1 ZINC000152449495 442214821 /nfs/dbraw/zinc/21/48/21/442214821.db2.gz NODVBDDPVHNJNM-ZDUSSCGKSA-N 0 0 326.360 1.953 10 30 EDEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171398661 442345716 /nfs/dbraw/zinc/34/57/16/442345716.db2.gz SWROSYKFCVHRCP-INIZCTEOSA-N 0 0 337.383 1.902 10 30 EDEERN N#Cc1c(Cl)cccc1S(=O)(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187923502 442698214 /nfs/dbraw/zinc/69/82/14/442698214.db2.gz YNCXNDZDANZSDK-UHFFFAOYSA-N 0 0 339.804 1.111 10 30 EDEERN C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000188204617 442723792 /nfs/dbraw/zinc/72/37/92/442723792.db2.gz QXPHFYVPQLEKCM-RDTXWAMCSA-N 0 0 347.463 1.832 10 30 EDEERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)CCCCC#N)CC2 ZINC000181733229 442713290 /nfs/dbraw/zinc/71/32/90/442713290.db2.gz LSPPTIGXHBWMGV-LBPRGKRZSA-N 0 0 325.438 1.330 10 30 EDEERN C#CCNC(=O)[C@H](C)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000249916047 443008769 /nfs/dbraw/zinc/00/87/69/443008769.db2.gz XJRNMBVAOANHCR-QWHCGFSZSA-N 0 0 335.473 1.952 10 30 EDEERN C=CCNC(=O)NC(=O)CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195510769 443025684 /nfs/dbraw/zinc/02/56/84/443025684.db2.gz PLGGTNSYGIDJDT-ZDUSSCGKSA-N 0 0 346.435 1.153 10 30 EDEERN CCCCOS(=O)(=O)C1(C[C@H](O)CO[C@H]2CCCCO2)CC1 ZINC000205614440 443047830 /nfs/dbraw/zinc/04/78/30/443047830.db2.gz IVHCYAFXPAUPNS-KBPBESRZSA-N 0 0 336.450 1.960 10 30 EDEERN C/C(=N\NC(N)=S)[C@]1(C)N(O)C(C)(C)C(c2cccs2)=[N+]1[O-] ZINC000225402686 443101226 /nfs/dbraw/zinc/10/12/26/443101226.db2.gz LWZDNFNPJOSYTG-LIOBOASVSA-O 0 0 342.470 1.348 10 30 EDEERN Cc1nnc([C@H]2CN(Cc3ccc(O[C@H](C)C#N)cc3)CCO2)[nH]1 ZINC000245684820 443243708 /nfs/dbraw/zinc/24/37/08/443243708.db2.gz AKFWEBQDPQYKKJ-MLGOLLRUSA-N 0 0 327.388 1.978 10 30 EDEERN CNC(=O)C1(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cncnc2)CC1 ZINC000328655376 444417434 /nfs/dbraw/zinc/41/74/34/444417434.db2.gz YGSIKSCESYNZJE-KBPBESRZSA-N 0 0 349.410 1.214 10 30 EDEERN NC(=O)c1noc([C@@H]2CCCN2CC(=O)NCc2ccccc2)n1 ZINC000328623290 444398344 /nfs/dbraw/zinc/39/83/44/444398344.db2.gz BWBBGUUEMIJUSN-LBPRGKRZSA-N 0 0 329.360 1.462 10 30 EDEERN O=C(CCCCC(=O)ON1C(=O)CCC1=O)OCc1ccccc1 ZINC000584604841 448583725 /nfs/dbraw/zinc/58/37/25/448583725.db2.gz OYRGYYWMXBATCR-UHFFFAOYSA-N 0 0 333.340 1.897 10 30 EDEERN C=C(Br)CCS(=O)(=O)c1nnnn1-c1ccccc1 ZINC000584636991 448587713 /nfs/dbraw/zinc/58/77/13/448587713.db2.gz CCUOWYGZSPRURU-UHFFFAOYSA-N 0 0 343.206 1.735 10 30 EDEERN CC(=CC(=O)Nc1ccc(Br)cc1)NNC(N)=S ZINC000033765160 518474565 /nfs/dbraw/zinc/47/45/65/518474565.db2.gz CAXVBIHNDTTYCF-VIZOYTHASA-N 0 0 329.223 1.987 10 30 EDEERN C=CCCOCCNC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000127342300 527348698 /nfs/dbraw/zinc/34/86/98/527348698.db2.gz SQQARVZJZSGJNE-UHFFFAOYSA-N 0 0 349.479 1.713 10 30 EDEERN COc1ccc2nc(N3CCN(C(=O)N(C)C)CC3)c(C#N)cc2c1 ZINC000036135411 537054600 /nfs/dbraw/zinc/05/46/00/537054600.db2.gz PKSKUACXYJVFHG-UHFFFAOYSA-N 0 0 339.399 1.919 10 30 EDEERN N#Cc1cccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000130276467 598078279 /nfs/dbraw/zinc/07/82/79/598078279.db2.gz FVQLXUCUTIJELG-HOTGVXAUSA-N 0 0 341.323 1.291 10 30 EDEERN C[C@@H](NC(=O)c1ccco1)C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000125162525 704352031 /nfs/dbraw/zinc/35/20/31/704352031.db2.gz QKGLTYRZWYVKBN-GHMZBOCLSA-N 0 0 326.312 1.140 10 30 EDEERN C=C(C)COCCNC(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000151472517 539754699 /nfs/dbraw/zinc/75/46/99/539754699.db2.gz WFFKAFRXBAXWIJ-UHFFFAOYSA-N 0 0 337.424 1.188 10 30 EDEERN Cc1ccc(S(=O)(=O)NCc2ccc(C#CCO)s2)s1 ZINC000071323313 202344112 /nfs/dbraw/zinc/34/41/12/202344112.db2.gz DITOKNOLEJWDEF-UHFFFAOYSA-N 0 0 327.452 1.940 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)CC2 ZINC000114975584 201072785 /nfs/dbraw/zinc/07/27/85/201072785.db2.gz FLKRZOVEAMQQIF-OAHLLOKOSA-N 0 0 338.415 1.869 10 30 EDEERN C[C@@H](C(=O)Nc1ccccc1C#N)n1nc(-n2cccn2)ccc1=O ZINC000070874077 203082710 /nfs/dbraw/zinc/08/27/10/203082710.db2.gz LKLDLVVNZGYITE-LBPRGKRZSA-N 0 0 334.339 1.500 10 30 EDEERN CN(Cc1cc(C#CCCO)cs1)S(=O)(=O)c1cn[nH]c1 ZINC000042401584 204090828 /nfs/dbraw/zinc/09/08/28/204090828.db2.gz CFUHDVYVWWVINT-UHFFFAOYSA-N 0 0 325.415 1.026 10 30 EDEERN N#Cc1cccc(NC(=O)CN2CCC(Nc3cccnn3)CC2)c1 ZINC000105804697 204161961 /nfs/dbraw/zinc/16/19/61/204161961.db2.gz DTZXROXMWZCIEF-UHFFFAOYSA-N 0 0 336.399 1.863 10 30 EDEERN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000106368224 204191683 /nfs/dbraw/zinc/19/16/83/204191683.db2.gz MYQLXVLFDGAHFJ-AWEZNQCLSA-N 0 0 345.428 1.738 10 30 EDEERN C=C(Br)CNS(=O)(=O)c1ccc(N)cc1C(=O)OC ZINC000161342848 205573090 /nfs/dbraw/zinc/57/30/90/205573090.db2.gz RRMOIYGKKPOJJM-UHFFFAOYSA-N 0 0 349.206 1.242 10 30 EDEERN CCOCCN1CCN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1C ZINC000117369165 221057365 /nfs/dbraw/zinc/05/73/65/221057365.db2.gz XBTCHJCHJJLJNY-AWEZNQCLSA-N 0 0 337.445 1.290 10 30 EDEERN C[C@@H](NC(=O)c1cccc(F)c1C#N)c1ccc(S(N)(=O)=O)cc1 ZINC000187464580 266960224 /nfs/dbraw/zinc/96/02/24/266960224.db2.gz MKYVEAPJWDQXKI-SNVBAGLBSA-N 0 0 347.371 1.836 10 30 EDEERN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@H]3COCCO3)C2)n1 ZINC000329916463 267374102 /nfs/dbraw/zinc/37/41/02/267374102.db2.gz QHRJPINFTNKXRZ-HOTGVXAUSA-N 0 0 344.415 1.850 10 30 EDEERN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccc(C#N)cc3)CCO2)c1 ZINC000105891675 272920508 /nfs/dbraw/zinc/92/05/08/272920508.db2.gz NIEJPXXLXRWBFZ-KRWDZBQOSA-N 0 0 339.399 1.403 10 30 EDEERN Cc1cccc(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1C#N ZINC000125858011 302014635 /nfs/dbraw/zinc/01/46/35/302014635.db2.gz VJQTUEOSMLFRDS-GOEBONIOSA-N 0 0 349.456 1.208 10 30 EDEERN C=CCC(CC=C)C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000150743312 441941573 /nfs/dbraw/zinc/94/15/73/441941573.db2.gz VPDYRFRDQLJDKZ-UHFFFAOYSA-N 0 0 326.404 1.541 10 30 EDEERN O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H](Oc2cccnc2)C1 ZINC000161415676 441996510 /nfs/dbraw/zinc/99/65/10/441996510.db2.gz PLVSMVRWFMQCOO-INIZCTEOSA-N 0 0 336.347 1.842 10 30 EDEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc(C#N)c1 ZINC000152458876 442215919 /nfs/dbraw/zinc/21/59/19/442215919.db2.gz FFOPEJYPVWEJJR-ZDUSSCGKSA-N 0 0 326.360 1.953 10 30 EDEERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000188208183 442724338 /nfs/dbraw/zinc/72/43/38/442724338.db2.gz LOOOIGVUNTWWOA-CQSZACIVSA-N 0 0 342.804 1.928 10 30 EDEERN C#CCOc1ccccc1NC(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000188071767 442708114 /nfs/dbraw/zinc/70/81/14/442708114.db2.gz LAFKUAHOFNCNQH-OAHLLOKOSA-N 0 0 331.416 1.619 10 30 EDEERN N#Cc1c(F)cccc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000189134813 442884182 /nfs/dbraw/zinc/88/41/82/442884182.db2.gz WDUYHNGRLQJCEI-UHFFFAOYSA-N 0 0 325.347 1.840 10 30 EDEERN CCn1cc([C@H]2CN(CC(=O)N[C@](C)(C#N)C(C)C)CCO2)cn1 ZINC000248806088 442926761 /nfs/dbraw/zinc/92/67/61/442926761.db2.gz RGVZWPRRFFLDBZ-NVXWUHKLSA-N 0 0 333.436 1.331 10 30 EDEERN COc1c(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(C)nn1C ZINC000245508946 443233467 /nfs/dbraw/zinc/23/34/67/443233467.db2.gz SYLLBIUFSFDQQL-KRWDZBQOSA-N 0 0 339.443 1.947 10 30 EDEERN Cn1cc([C@H]2[C@H](CNc3ncc(C#N)cc3Cl)CC(=O)N2C)cn1 ZINC000328615800 444394629 /nfs/dbraw/zinc/39/46/29/444394629.db2.gz ZJNJKLVAYMFYJA-XHDPSFHLSA-N 0 0 344.806 1.972 10 30 EDEERN NC(=O)c1noc([C@H]2CCCN2CC(=O)NCc2cccs2)n1 ZINC000328624234 444399292 /nfs/dbraw/zinc/39/92/92/444399292.db2.gz CHLZWBZGSNWFLE-SNVBAGLBSA-N 0 0 335.389 1.524 10 30 EDEERN CN1C[C@@H](NS(=O)(=O)c2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000583616454 448443489 /nfs/dbraw/zinc/44/34/89/448443489.db2.gz WJGOZNPEYMETEW-AAEUAGOBSA-N 0 0 347.362 1.862 10 30 EDEERN CS(=O)(=O)OC[C@H]1COc2cccnc2N1Cc1ccccc1 ZINC000584904579 448673530 /nfs/dbraw/zinc/67/35/30/448673530.db2.gz FNXYJOHHLZTWJV-CQSZACIVSA-N 0 0 334.397 1.825 10 30 EDEERN C/C(Cn1nnc2ccccc21)=N\OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000020160007 518475918 /nfs/dbraw/zinc/47/59/18/518475918.db2.gz JFJYIEUEOKTPDX-RQZCQDPDSA-N 0 0 343.303 1.306 10 30 EDEERN C=CCN(CCO)S(=O)(=O)c1ccc(C)cc1Br ZINC000158745936 526275915 /nfs/dbraw/zinc/27/59/15/526275915.db2.gz NBVSAKFWGKVUPC-UHFFFAOYSA-N 0 0 334.235 1.927 10 30 EDEERN C#C[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000185373566 527342600 /nfs/dbraw/zinc/34/26/00/527342600.db2.gz CWHCXSQCHIFVRK-NHYWBVRUSA-N 0 0 327.409 1.821 10 30 EDEERN C=CCN(C)S(=O)(=O)c1cc(N)c(Br)cc1OC ZINC000165146945 527577008 /nfs/dbraw/zinc/57/70/08/527577008.db2.gz CMYFGIKVFUIVGC-UHFFFAOYSA-N 0 0 335.223 1.846 10 30 EDEERN CCOCCN1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000247274305 535605826 /nfs/dbraw/zinc/60/58/26/535605826.db2.gz ZRZUJKIJGLFYRC-CQSZACIVSA-N 0 0 337.445 1.290 10 30 EDEERN C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C[C@H](C)O1 ZINC000102388389 594942361 /nfs/dbraw/zinc/94/23/61/594942361.db2.gz XHXOHUBOQBFBJK-KBPBESRZSA-N 0 0 342.399 1.389 10 30 EDEERN NC1=C(c2ccccc2)C(=O)CN1c1ccccc1S(N)(=O)=O ZINC000028114618 202165920 /nfs/dbraw/zinc/16/59/20/202165920.db2.gz NJSQBVRULGRDNQ-UHFFFAOYSA-N 0 0 329.381 1.051 10 30 EDEERN Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2cccc(C#N)c2)n1 ZINC000183745915 138787473 /nfs/dbraw/zinc/78/74/73/138787473.db2.gz FYVNLEGXHMLDLR-CQSZACIVSA-N 0 0 348.384 1.153 10 30 EDEERN N#Cc1ccc(NC[C@H](O)CN2CCOCC2)c(Br)c1 ZINC000134550969 201128220 /nfs/dbraw/zinc/12/82/20/201128220.db2.gz WGFAJGJFODRECK-LBPRGKRZSA-N 0 0 340.221 1.426 10 30 EDEERN Cc1cc(S(=O)(=O)NC[C@H]2CCCS2)ccc1C#CCO ZINC000155941511 201397686 /nfs/dbraw/zinc/39/76/86/201397686.db2.gz GADPTHDAHWDQGJ-CQSZACIVSA-N 0 0 325.455 1.513 10 30 EDEERN CSCC[C@@H](C)N(C)S(=O)(=O)c1cncc(C#CCO)c1 ZINC000162093456 201414942 /nfs/dbraw/zinc/41/49/42/201414942.db2.gz FKHUGGRVXNGGCH-GFCCVEGCSA-N 0 0 328.459 1.188 10 30 EDEERN C[NH+]1CCC(Oc2cccc3c2C(=O)N(CCC(=O)[O-])C3C#N)CC1 ZINC000071682803 203103292 /nfs/dbraw/zinc/10/32/92/203103292.db2.gz NLIPEYJODDJMDC-AWEZNQCLSA-N 0 0 343.383 1.655 10 30 EDEERN N#Cc1ccccc1NC(=O)CCN1CCO[C@@H](Cn2cccn2)C1 ZINC000106191068 204188199 /nfs/dbraw/zinc/18/81/99/204188199.db2.gz GJIRRNOFECFBNB-MRXNPFEDSA-N 0 0 339.399 1.484 10 30 EDEERN Cn1cc([C@@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C2)cn1 ZINC000116371562 204529740 /nfs/dbraw/zinc/52/97/40/204529740.db2.gz ZOUPLPLKHSJDOK-OAHLLOKOSA-N 0 0 330.413 1.611 10 30 EDEERN CS[C@@H](C)CCNS(=O)(=O)c1ccc(C#CCO)cc1F ZINC000162154160 206095986 /nfs/dbraw/zinc/09/59/86/206095986.db2.gz PETHHFFBBJSKLD-NSHDSACASA-N 0 0 331.434 1.589 10 30 EDEERN C=CCNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1C ZINC000012207414 211319925 /nfs/dbraw/zinc/31/99/25/211319925.db2.gz YVLPYSROZIHYQJ-UHFFFAOYSA-N 0 0 344.458 1.389 10 30 EDEERN N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(C(=O)NC4CC4)C3)C2)n1 ZINC000096072699 257697132 /nfs/dbraw/zinc/69/71/32/257697132.db2.gz XYFJIZCEURKARW-WMLDXEAASA-N 0 0 327.388 1.471 10 30 EDEERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)cn1 ZINC000171431898 227077524 /nfs/dbraw/zinc/07/75/24/227077524.db2.gz QFZJOKAFXPWVBM-OAHLLOKOSA-N 0 0 334.376 1.957 10 30 EDEERN COC(=O)C1=CC(=O)C=C(OC)[C@]12Oc1cc(C)cc(O)c1C2=O ZINC000006069877 440979409 /nfs/dbraw/zinc/97/94/09/440979409.db2.gz JCMPRFCVZKOFIT-QGZVFWFLSA-N 0 0 330.292 1.227 10 30 in-vitro EDEERN CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000100034921 441150796 /nfs/dbraw/zinc/15/07/96/441150796.db2.gz PYIDGJJWBIBVIA-DUQPFJRNSA-N 0 0 348.480 1.724 10 30 EDEERN CN(Cc1ccc(C#N)cc1)C(=O)[C@H](Cc1ccccc1)n1cnnn1 ZINC000025119177 441330659 /nfs/dbraw/zinc/33/06/59/441330659.db2.gz UCWNPRMCXOIQFX-SFHVURJKSA-N 0 0 346.394 1.987 10 30 EDEERN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000173411396 441738726 /nfs/dbraw/zinc/73/87/26/441738726.db2.gz LANJFAXBNAJYQD-KBPBESRZSA-N 0 0 333.436 1.585 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)C#Cc1ccc3c(c1)OCO3)CC2 ZINC000119106206 441917775 /nfs/dbraw/zinc/91/77/75/441917775.db2.gz XEVSGKGFZJWOOB-CYBMUJFWSA-N 0 0 338.367 1.052 10 30 EDEERN CCCn1cc(CN2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)cn1 ZINC000175585679 442089679 /nfs/dbraw/zinc/08/96/79/442089679.db2.gz DTKFLEXFGAPEPT-UHFFFAOYSA-N 0 0 340.431 1.841 10 30 EDEERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C#N)cc1C ZINC000130565994 442349753 /nfs/dbraw/zinc/34/97/53/442349753.db2.gz YHFPWSXKJPVFEO-CQSZACIVSA-N 0 0 325.372 1.870 10 30 EDEERN C#CCOc1ccc(C(=O)N[C@H]2CCCn3nc(COC)nc32)cc1 ZINC000155276854 442385099 /nfs/dbraw/zinc/38/50/99/442385099.db2.gz XDKCVHSGFXQXDP-HNNXBMFYSA-N 0 0 340.383 1.701 10 30 EDEERN N#Cc1cccc(S(=O)(=O)CCN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000156861270 442527668 /nfs/dbraw/zinc/52/76/68/442527668.db2.gz ZWYDPSSIOSPBMR-AEFFLSMTSA-N 0 0 348.468 1.959 10 30 EDEERN O=C(NC[C@@H]1CCCO1)NC[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328649346 444414090 /nfs/dbraw/zinc/41/40/90/444414090.db2.gz VABJNHSSABFQKI-KKUMJFAQSA-N 0 0 337.399 1.072 10 30 EDEERN COc1ccc(C=NN2C(=O)CNC2=S)cc1Br ZINC000584631169 448588005 /nfs/dbraw/zinc/58/80/05/448588005.db2.gz JTWLEYVHRKVZFE-LHHJGKSTSA-N 0 0 328.191 1.508 10 30 EDEERN CS(=O)(=O)OC[C@@H]1COc2cccnc2N1Cc1ccccc1 ZINC000584904578 448673150 /nfs/dbraw/zinc/67/31/50/448673150.db2.gz FNXYJOHHLZTWJV-AWEZNQCLSA-N 0 0 334.397 1.825 10 30 EDEERN N#CCCNC(=O)Cn1nc(Br)cc1Br ZINC000169210925 534648316 /nfs/dbraw/zinc/64/83/16/534648316.db2.gz VTEOEOPCCXGTLE-UHFFFAOYSA-N 0 0 335.987 1.438 10 30 EDEERN C#CCCCNC(=O)N1CCCN(Cc2cnn(CCC)c2)CC1 ZINC000173330824 526709735 /nfs/dbraw/zinc/70/97/35/526709735.db2.gz GMCNXYXMJXDUMB-UHFFFAOYSA-N 0 0 331.464 1.924 10 30 EDEERN C#CCn1ncc(N[C@H]2CCCSC2)c(Br)c1=O ZINC000158871182 527194280 /nfs/dbraw/zinc/19/42/80/527194280.db2.gz AXNMOPDCQSCMSV-VIFPVBQESA-N 0 0 328.235 1.947 10 30 EDEERN CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)nc2)no1 ZINC000173723684 528320432 /nfs/dbraw/zinc/32/04/32/528320432.db2.gz TYQCIMKTZUIPQD-CYBMUJFWSA-N 0 0 347.400 1.985 10 30 EDEERN CCOCCN1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1C ZINC000173374738 528743954 /nfs/dbraw/zinc/74/39/54/528743954.db2.gz YIXADSOTBPPPMR-CQSZACIVSA-N 0 0 334.424 1.371 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)CC2 ZINC000114975571 536162029 /nfs/dbraw/zinc/16/20/29/536162029.db2.gz GEQPNEIOYSOKFT-OAHLLOKOSA-N 0 0 338.415 1.869 10 30 EDEERN O=C(NCCNC(=O)N1CCC[C@H]1c1ccco1)C1N=CC=CC1=O ZINC000116549516 595975527 /nfs/dbraw/zinc/97/55/27/595975527.db2.gz AGWJPVDBBJQXIA-VVLLMFOMSA-N 0 0 344.371 1.653 10 30 EDEERN C#CCN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000134609416 598112100 /nfs/dbraw/zinc/11/21/00/598112100.db2.gz OTRPROWVINJXEG-WMZOPIPTSA-N 0 0 343.402 1.123 10 30 EDEERN N#Cc1ccc(NC(=O)CN2CCCN(c3cccnn3)CC2)cc1 ZINC000105798600 138301781 /nfs/dbraw/zinc/30/17/81/138301781.db2.gz OVMGBCMWLJOXJB-UHFFFAOYSA-N 0 0 336.399 1.499 10 30 EDEERN C[C@@H]1CSCCN1S(=O)(=O)c1ccc(C#CCO)cc1Cl ZINC000070224193 202321311 /nfs/dbraw/zinc/32/13/11/202321311.db2.gz NKOQBOPJZYCUEV-LLVKDONJSA-N 0 0 345.873 1.810 10 30 EDEERN C=C(C)CS(=O)(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000189625460 201047830 /nfs/dbraw/zinc/04/78/30/201047830.db2.gz ZQKWVCSAPNAIPV-UHFFFAOYSA-N 0 0 329.491 1.865 10 30 EDEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000195023183 139005022 /nfs/dbraw/zinc/00/50/22/139005022.db2.gz MZQAISKVIVXFKZ-SNVBAGLBSA-N 0 0 330.369 1.092 10 30 EDEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083558 220098065 /nfs/dbraw/zinc/09/80/65/220098065.db2.gz ZWXFQJJQLLAYOS-ZBFHGGJFSA-N 0 0 340.383 1.450 10 30 EDEERN O=S(=O)(NC1CCSCC1)c1ccc(C#CCO)cc1F ZINC000162156086 206102535 /nfs/dbraw/zinc/10/25/35/206102535.db2.gz LHPNRUDZAHIPJF-UHFFFAOYSA-N 0 0 329.418 1.343 10 30 EDEERN COC(=O)[C@@H](COc1ccc(Br)cc1C#N)NC(C)=O ZINC000161755277 206156188 /nfs/dbraw/zinc/15/61/88/206156188.db2.gz RNXCZRJQKQUGGF-LLVKDONJSA-N 0 0 341.161 1.377 10 30 EDEERN N#Cc1cc(Cn2ncc(I)cc2=O)ccn1 ZINC000158558534 206198061 /nfs/dbraw/zinc/19/80/61/206198061.db2.gz LMDQMXMAJCCORK-UHFFFAOYSA-N 0 0 338.108 1.163 10 30 EDEERN NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO ZINC000013475065 441159407 /nfs/dbraw/zinc/15/94/07/441159407.db2.gz BLQUOYXCNRHVJW-AWEZNQCLSA-N 0 0 335.404 1.045 10 30 EDEERN C[C@@H](NC(=O)c1cc(C#N)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000084258296 441390397 /nfs/dbraw/zinc/39/03/97/441390397.db2.gz WOZIUMDYOTWETG-SECBINFHSA-N 0 0 335.410 1.758 10 30 EDEERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CCN1CCOC ZINC000117526499 441874549 /nfs/dbraw/zinc/87/45/49/441874549.db2.gz LHMQXZFIIGHBLR-MRXNPFEDSA-N 0 0 344.415 1.066 10 30 EDEERN C#CCOc1ccc(C(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000120181128 442024870 /nfs/dbraw/zinc/02/48/70/442024870.db2.gz KXUDUZLNYLFNOD-GOSISDBHSA-N 0 0 339.395 1.745 10 30 EDEERN N#Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCn2ncnc21 ZINC000125953106 442064434 /nfs/dbraw/zinc/06/44/34/442064434.db2.gz QUAZNPAGVSLQEH-LLVKDONJSA-N 0 0 337.792 1.617 10 30 EDEERN CCc1noc([C@H](C)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000175632206 442097205 /nfs/dbraw/zinc/09/72/05/442097205.db2.gz BBHATNBYFPIBQL-NSHDSACASA-N 0 0 328.376 1.351 10 30 EDEERN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000176990539 442281185 /nfs/dbraw/zinc/28/11/85/442281185.db2.gz FBEJHDQBKIBKPC-GDBMZVCRSA-N 0 0 349.456 1.208 10 30 EDEERN C[C@H](C#N)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000128761282 442286357 /nfs/dbraw/zinc/28/63/57/442286357.db2.gz OQVJTEAPNVZTOQ-ZCFIWIBFSA-N 0 0 345.096 1.841 10 30 EDEERN Cn1cc(CN2CCCN(C(=O)c3cc(C#N)cs3)CC2)cn1 ZINC000177476210 442347008 /nfs/dbraw/zinc/34/70/08/442347008.db2.gz HTCUIZYPRSIPQL-UHFFFAOYSA-N 0 0 329.429 1.701 10 30 EDEERN C#CCCCCNC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000154911236 442363794 /nfs/dbraw/zinc/36/37/94/442363794.db2.gz SFOQTDHXBSQOEM-GOSISDBHSA-N 0 0 329.444 1.851 10 30 EDEERN CCOC(=O)C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1C ZINC000178660682 442453632 /nfs/dbraw/zinc/45/36/32/442453632.db2.gz AXWLXVSSZVZGID-CQSZACIVSA-N 0 0 341.371 1.269 10 30 EDEERN CCOC(=O)N1CCN(Cc2noc(-c3cccc(C#N)c3)n2)CC1 ZINC000135863211 442636819 /nfs/dbraw/zinc/63/68/19/442636819.db2.gz ABNGHELEWAPMAF-UHFFFAOYSA-N 0 0 341.371 1.882 10 30 EDEERN C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1COc2ccccc21 ZINC000187834224 442694566 /nfs/dbraw/zinc/69/45/66/442694566.db2.gz KPAZRIRLBZNQAP-HNNXBMFYSA-N 0 0 336.347 1.887 10 30 EDEERN C#CCOCCC(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000183273825 442915347 /nfs/dbraw/zinc/91/53/47/442915347.db2.gz FBCVTEJIZDHMAJ-KKUMJFAQSA-N 0 0 336.432 1.788 10 30 EDEERN C#CCC(C)(C)C(=O)N1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000183994779 442981896 /nfs/dbraw/zinc/98/18/96/442981896.db2.gz GUCFMDPPOWPLQH-UHFFFAOYSA-N 0 0 340.431 1.370 10 30 EDEERN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000195515764 443027416 /nfs/dbraw/zinc/02/74/16/443027416.db2.gz DWSBZQCHOMHIKI-QAPCUYQASA-N 0 0 329.448 1.870 10 30 EDEERN C[C@@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)O1 ZINC000184582118 443043343 /nfs/dbraw/zinc/04/33/43/443043343.db2.gz ZERAVOKQHQAYJD-VXGBXAGGSA-N 0 0 326.360 1.780 10 30 EDEERN C#CCSCCNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190717299 443169246 /nfs/dbraw/zinc/16/92/46/443169246.db2.gz COEHBRSSFOPRAZ-KRWDZBQOSA-N 0 0 346.500 1.911 10 30 EDEERN N#Cc1cc(F)c(N2CCC[C@@](O)(C(N)=O)C2)cc1Br ZINC000383794545 319125948 /nfs/dbraw/zinc/12/59/48/319125948.db2.gz NEUDVUQKQGPXOK-ZDUSSCGKSA-N 0 0 342.168 1.276 10 30 EDEERN Cn1cc(C#N)cc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000328657116 444417567 /nfs/dbraw/zinc/41/75/67/444417567.db2.gz ZZUYASGAAFBANH-STQMWFEESA-N 0 0 347.419 1.696 10 30 EDEERN C[C@H]1Cn2ncc(N3C[C@H](C#N)CC3=O)c2CN1C(=O)OC(C)(C)C ZINC000584641279 448588777 /nfs/dbraw/zinc/58/87/77/448588777.db2.gz CFTOUVVUOKRNTP-RYUDHWBXSA-N 0 0 345.403 1.899 10 30 EDEERN COC(=O)Cc1c(I)c(C#N)ccc1[N+](=O)[O-] ZINC000575392190 449087585 /nfs/dbraw/zinc/08/75/85/449087585.db2.gz IHHWQUGZMUCULF-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN Cc1oc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)c(C#N)c1C ZINC000173990117 534547032 /nfs/dbraw/zinc/54/70/32/534547032.db2.gz QRXHHUIJVMXWFG-AWEZNQCLSA-N 0 0 332.404 1.113 10 30 EDEERN COc1cccc(/C=N/n2c(CC(C)=O)nnc2CC(C)=O)c1O ZINC000003141046 525774253 /nfs/dbraw/zinc/77/42/53/525774253.db2.gz VKEDUVDGKWQJKS-RQZCQDPDSA-N 0 0 330.344 1.138 10 30 EDEERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc(C#N)cn3C)C2)n1 ZINC000176093061 534886660 /nfs/dbraw/zinc/88/66/60/534886660.db2.gz FUPBDEWQDGPWJB-AWEZNQCLSA-N 0 0 326.404 1.658 10 30 EDEERN Cn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(C#N)n2C)cn1 ZINC000888078400 590935606 /nfs/dbraw/zinc/93/56/06/590935606.db2.gz NUNNALRDORLMMV-BLLLJJGKSA-N 0 0 327.388 1.528 10 30 EDEERN Cn1cc([C@@H]2[C@@H](CNc3nccnc3C#N)CCC(=O)N2C)cn1 ZINC000888102979 591031372 /nfs/dbraw/zinc/03/13/72/591031372.db2.gz XWUXTWGIZATTGA-ABAIWWIYSA-N 0 0 325.376 1.103 10 30 EDEERN Cc1noc([C@H](C)N2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000127442601 597778618 /nfs/dbraw/zinc/77/86/18/597778618.db2.gz NMGDTKMCSNAOIM-GUYCJALGSA-N 0 0 341.415 1.662 10 30 EDEERN C[C@H](C#N)NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000186625526 711927004 /nfs/dbraw/zinc/92/70/04/711927004.db2.gz LWESZWMSCSHXDO-SNVBAGLBSA-N 0 0 325.315 1.274 10 30 EDEERN Cc1nnc([C@H]2CN(CCC(=O)Nc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000173683912 231004166 /nfs/dbraw/zinc/00/41/66/231004166.db2.gz BHDYNPBRIINOCJ-OAHLLOKOSA-N 0 0 340.387 1.387 10 30 EDEERN COc1ccc(-c2nc(N3CC[NH+](C)CC3)[n-]c(=O)c2C#N)cc1 ZINC000000427939 539334642 /nfs/dbraw/zinc/33/46/42/539334642.db2.gz ZIIMGDVZESGFKC-UHFFFAOYSA-N 0 0 325.372 1.481 10 30 EDEERN N#CCSCC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000135509755 237248966 /nfs/dbraw/zinc/24/89/66/237248966.db2.gz NHBKLCIXVPNLEC-UHFFFAOYSA-N 0 0 335.433 1.238 10 30 EDEERN C[C@@H](SC[C@@H](O)CO)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000177432764 237387989 /nfs/dbraw/zinc/38/79/89/237387989.db2.gz YGUCEXBODVAACZ-RISCZKNCSA-N 0 0 326.393 1.547 10 30 EDEERN Cc1csc([C@@H]2CN(S(=O)(=O)CCCCC#N)CCO2)n1 ZINC000193950174 237488282 /nfs/dbraw/zinc/48/82/82/237488282.db2.gz KXJNDMIHGAWYNJ-LBPRGKRZSA-N 0 0 329.447 1.849 10 30 EDEERN C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000078989244 201200575 /nfs/dbraw/zinc/20/05/75/201200575.db2.gz WSHYANJMSMQTMF-CZUORRHYSA-N 0 0 332.400 1.857 10 30 EDEERN CN1N=C(O[C@@H]2c3cc(C#N)ccc3OC(C)(C)[C@@H]2O)[C@@H]2C[C@@H]2C1=O ZINC000027517302 201386774 /nfs/dbraw/zinc/38/67/74/201386774.db2.gz MKTQQSFOHCYVKM-BAESOJJISA-N 0 0 341.367 1.569 10 30 EDEERN COc1cc2c(c(OC)c1OC)C(=O)N(CC(C)(C)CO)C2C#N ZINC000071682366 203103801 /nfs/dbraw/zinc/10/38/01/203103801.db2.gz QBEHJPUFNILODM-LLVKDONJSA-N 0 0 334.372 1.751 10 30 EDEERN N#Cc1ccc(OCCN2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000105816779 204164949 /nfs/dbraw/zinc/16/49/49/204164949.db2.gz QNDREVFMQQRBRH-UHFFFAOYSA-N 0 0 349.398 1.197 10 30 EDEERN CCn1cnnc1C1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000105861654 204173623 /nfs/dbraw/zinc/17/36/23/204173623.db2.gz YDIRQKMIGVEDKB-UHFFFAOYSA-N 0 0 339.399 1.955 10 30 EDEERN CCn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000106367822 204190961 /nfs/dbraw/zinc/19/09/61/204190961.db2.gz RLYHWMYICALRGO-GFCCVEGCSA-N 0 0 346.416 1.133 10 30 EDEERN COc1cc(C#N)ccc1OCCN1CCO[C@H](Cn2cccn2)C1 ZINC000157986141 206167169 /nfs/dbraw/zinc/16/71/69/206167169.db2.gz PZQBJCVTYZDDIW-INIZCTEOSA-N 0 0 342.399 1.543 10 30 EDEERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)C2)no1 ZINC000171430138 206703828 /nfs/dbraw/zinc/70/38/28/206703828.db2.gz DQODYFOPXRTZTE-AWEZNQCLSA-N 0 0 346.412 1.893 10 30 EDEERN N#Cc1cccc(CS(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000180977086 207866028 /nfs/dbraw/zinc/86/60/28/207866028.db2.gz ZSPYUZFGDKLGHS-MRXNPFEDSA-N 0 0 345.428 1.392 10 30 EDEERN C=CCCOCCNC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000122359105 222070343 /nfs/dbraw/zinc/07/03/43/222070343.db2.gz WJFLQZLOIVACGU-MRXNPFEDSA-N 0 0 336.436 1.503 10 30 EDEERN CC(C)(CO)CNC(=O)c1nc(-c2ccc(C#N)cc2)cnc1N ZINC000003987652 440909044 /nfs/dbraw/zinc/90/90/44/440909044.db2.gz ARPKGDXIHKLLOK-UHFFFAOYSA-N 0 0 325.372 1.346 10 30 EDEERN C[C@H](NC(=O)c1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000107438283 441416660 /nfs/dbraw/zinc/41/66/60/441416660.db2.gz OWCMRLWDRLCTJH-NSHDSACASA-N 0 0 329.381 1.848 10 30 EDEERN C#CCNC(=O)c1ccc(=O)n(Cc2csc(-c3ccoc3)n2)c1 ZINC000075142903 441502588 /nfs/dbraw/zinc/50/25/88/441502588.db2.gz TXQINJATJAWNKZ-UHFFFAOYSA-N 0 0 339.376 1.976 10 30 EDEERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C#N)cn2)ncn1 ZINC000173442049 441752749 /nfs/dbraw/zinc/75/27/49/441752749.db2.gz GMGDOMRQCMMGOQ-ZDUSSCGKSA-N 0 0 337.387 1.184 10 30 EDEERN CCn1cnnc1[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000161351438 441988553 /nfs/dbraw/zinc/98/85/53/441988553.db2.gz QHCBKFQMXNCVJL-OAHLLOKOSA-N 0 0 343.435 1.133 10 30 EDEERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000128476043 442268843 /nfs/dbraw/zinc/26/88/43/442268843.db2.gz YBCUOGUPYHTWIP-CQSZACIVSA-N 0 0 345.428 1.738 10 30 EDEERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000177002383 442283650 /nfs/dbraw/zinc/28/36/50/442283650.db2.gz ABGFLZJJNDSCHT-ZDUSSCGKSA-N 0 0 335.364 1.411 10 30 EDEERN CN(C(=O)CN1CCC[C@@H](n2cncn2)C1)C1(C#N)CCCCC1 ZINC000171704990 442372282 /nfs/dbraw/zinc/37/22/82/442372282.db2.gz GPWOOLPKVDEFCG-OAHLLOKOSA-N 0 0 330.436 1.600 10 30 EDEERN N#Cc1ccc(S(=O)(=O)CCN2CCN3CCCC[C@@H]3C2)cc1 ZINC000177751926 442379658 /nfs/dbraw/zinc/37/96/58/442379658.db2.gz GFRKVAIMCBZITF-MRXNPFEDSA-N 0 0 333.457 1.502 10 30 EDEERN O=C(NCCNC(=O)N1CCC[C@@H]1c1ccco1)C1N=CC=CC1=O ZINC000172186558 442420753 /nfs/dbraw/zinc/42/07/53/442420753.db2.gz AGWJPVDBBJQXIA-KXEGMRRWSA-N 0 0 344.371 1.653 10 30 EDEERN C#C[C@@H](C)NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 ZINC000186070682 442457003 /nfs/dbraw/zinc/45/70/03/442457003.db2.gz GBXGQTPPQQSLBH-GDBMZVCRSA-N 0 0 336.457 1.826 10 30 EDEERN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCCN1c1cc(NC)ncn1 ZINC000188204572 442723903 /nfs/dbraw/zinc/72/39/03/442723903.db2.gz QXPHFYVPQLEKCM-KBXCAEBGSA-N 0 0 347.463 1.832 10 30 EDEERN CCCCOC[C@@H](O)CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000193376614 442737486 /nfs/dbraw/zinc/73/74/86/442737486.db2.gz WGDIGYNOWQCOCW-INIZCTEOSA-N 0 0 335.423 1.997 10 30 EDEERN C=CCN(CCOC)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000189361142 442929275 /nfs/dbraw/zinc/92/92/75/442929275.db2.gz VJFWWIDCLHASGS-CQSZACIVSA-N 0 0 348.451 1.331 10 30 EDEERN CCN(c1nn(-c2cccc(C)c2)nc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000256048499 443115935 /nfs/dbraw/zinc/11/59/35/443115935.db2.gz UAZOQUQBZNHPMS-CQSZACIVSA-N 0 0 345.428 1.461 10 30 EDEERN CC(C)[C@H](O)CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000191058972 443232419 /nfs/dbraw/zinc/23/24/19/443232419.db2.gz UDTOOWVTOMYHHA-HZPDHXFCSA-N 0 0 329.400 1.182 10 30 EDEERN N#C[C@@H]1COCCN1C[C@@H](O)COc1cccc(Br)c1 ZINC000246140278 443272129 /nfs/dbraw/zinc/27/21/29/443272129.db2.gz AZYHSEDVZSFVKE-CHWSQXEVSA-N 0 0 341.205 1.413 10 30 EDEERN CC(C)n1cc([C@]2(O)CCCN(C(=O)C3(C#N)CCCC3)C2)nn1 ZINC000375721984 447000326 /nfs/dbraw/zinc/00/03/26/447000326.db2.gz HREPQCPTFUZQBH-KRWDZBQOSA-N 0 0 331.420 1.753 10 30 EDEERN CC(C)n1cc([C@@]2(O)CCCN(C(=O)C3(C#N)CCCC3)C2)nn1 ZINC000375721985 447000837 /nfs/dbraw/zinc/00/08/37/447000837.db2.gz HREPQCPTFUZQBH-QGZVFWFLSA-N 0 0 331.420 1.753 10 30 EDEERN C/C(=N/NC(=S)NC[C@H]1CCCO1)c1ccc(-n2cncn2)cc1 ZINC000056659654 518451250 /nfs/dbraw/zinc/45/12/50/518451250.db2.gz QUTUGPRNNPSUGY-GEYIUBJWSA-N 0 0 344.444 1.634 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)NC[C@H](C)N1CCOCC1 ZINC000173787937 527112607 /nfs/dbraw/zinc/11/26/07/527112607.db2.gz UNLPPVSPJJYNIN-ZDUSSCGKSA-N 0 0 335.379 1.680 10 30 EDEERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(N2CCCC2)c(C#N)c1 ZINC000888092923 591022586 /nfs/dbraw/zinc/02/25/86/591022586.db2.gz OKKSRFMQGIQRIL-SWLSCSKDSA-N 0 0 326.400 1.555 10 30 EDEERN N#Cc1cnccc1N1C[C@H]2COCC[C@]2(C(=O)N2CCCC2)C1 ZINC000888101214 591030321 /nfs/dbraw/zinc/03/03/21/591030321.db2.gz TXCQHVNSWSJQSS-YJBOKZPZSA-N 0 0 326.400 1.419 10 30 EDEERN C#CC1(O)CCN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000899116729 591695050 /nfs/dbraw/zinc/69/50/50/591695050.db2.gz SZVWYUCZSNWNLG-AEFFLSMTSA-N 0 0 340.423 1.583 10 30 EDEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[C@@]1(O)c2ccccc2NC1=O ZINC000829019820 594550344 /nfs/dbraw/zinc/55/03/44/594550344.db2.gz NODCLCFMFINSBQ-IYJAJMOOSA-N 0 0 344.411 1.704 10 30 EDEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173691157 231007711 /nfs/dbraw/zinc/00/77/11/231007711.db2.gz HPOCHXRRAVEXKG-CQSZACIVSA-N 0 0 338.371 1.260 10 30 EDEERN C#CCOC[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000056923240 214395150 /nfs/dbraw/zinc/39/51/50/214395150.db2.gz YTLHLCBQTXQGID-CQSZACIVSA-N 0 0 340.379 1.171 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)COc1ccccc1C#N)CC2 ZINC000114869128 138310774 /nfs/dbraw/zinc/31/07/74/138310774.db2.gz IBQWIPGSFTUSQS-CYBMUJFWSA-N 0 0 325.372 1.222 10 30 EDEERN C[C@@H]1CN(C(N)=NC(=O)c2cc(Cl)nc(Cl)c2)C[C@H](C)O1 ZINC000033374226 202260097 /nfs/dbraw/zinc/26/00/97/202260097.db2.gz XRNCTGCZNCSMFF-OCAPTIKFSA-N 0 0 331.203 1.953 10 30 EDEERN Cc1nnc(C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 ZINC000062140543 202794227 /nfs/dbraw/zinc/79/42/27/202794227.db2.gz UZPHMVFIQPTQSW-UHFFFAOYSA-N 0 0 332.385 1.818 10 30 EDEERN Cn1cc([C@@H]2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 ZINC000246880230 139125394 /nfs/dbraw/zinc/12/53/94/139125394.db2.gz FXQUAUALWMKFOD-PBHICJAKSA-N 0 0 349.394 1.413 10 30 EDEERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCN(CC#N)CC2)C1 ZINC000073099586 441292917 /nfs/dbraw/zinc/29/29/17/441292917.db2.gz LVJRWXFSLUFWLZ-KGLIPLIRSA-N 0 0 336.436 1.348 10 30 EDEERN Cc1cnn(C[C@H]2CN(C(=O)Nc3cccc(C#N)c3)CCO2)c1 ZINC000112104003 441544563 /nfs/dbraw/zinc/54/45/63/441544563.db2.gz UNXYLZNXXDYZQV-MRXNPFEDSA-N 0 0 325.372 1.996 10 30 EDEERN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N=C1NCCS1 ZINC000036724852 441609024 /nfs/dbraw/zinc/60/90/24/441609024.db2.gz WCEUKRBNDLVMHS-GFCCVEGCSA-N 0 0 341.383 1.938 10 30 EDEERN CC(C)(C)OC(=O)N1CCC(C[C@@H](C#N)OS(C)(=O)=O)CC1 ZINC000038266683 441614793 /nfs/dbraw/zinc/61/47/93/441614793.db2.gz MIEZGECHMGBTJZ-LBPRGKRZSA-N 0 0 332.422 1.892 10 30 EDEERN C#CCOc1ccc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173529091 441779517 /nfs/dbraw/zinc/77/95/17/441779517.db2.gz WRBDCBGHUKWZGY-OAHLLOKOSA-N 0 0 326.356 1.339 10 30 EDEERN C#CCCCCNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000120469375 442078499 /nfs/dbraw/zinc/07/84/99/442078499.db2.gz CEKZOKIHDAFIDY-LBPRGKRZSA-N 0 0 333.413 1.033 10 30 EDEERN C=CCCS(=O)(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121233022 442194629 /nfs/dbraw/zinc/19/46/29/442194629.db2.gz YFXWNSMWMKEBMT-AWEZNQCLSA-N 0 0 344.502 1.959 10 30 EDEERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3ccccc3C#N)C2)no1 ZINC000171430167 442347293 /nfs/dbraw/zinc/34/72/93/442347293.db2.gz CDPZXNQYJSQSRJ-CYBMUJFWSA-N 0 0 346.412 1.893 10 30 EDEERN C#CCCCCNC(=O)N1CCCN(Cc2cnn(CC)c2)CC1 ZINC000154933051 442365624 /nfs/dbraw/zinc/36/56/24/442365624.db2.gz ORUPAQNNDREFAL-UHFFFAOYSA-N 0 0 331.464 1.924 10 30 EDEERN C#CCCCCNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000154874391 442361651 /nfs/dbraw/zinc/36/16/51/442361651.db2.gz DCDKYPNXUMVEJS-CABCVRRESA-N 0 0 335.360 1.092 10 30 EDEERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCCCCC#N)CC1 ZINC000172071053 442406069 /nfs/dbraw/zinc/40/60/69/442406069.db2.gz XWIZFJNPJRSNOU-UHFFFAOYSA-N 0 0 332.452 1.558 10 30 EDEERN Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000178373967 442428844 /nfs/dbraw/zinc/42/88/44/442428844.db2.gz QQVYRQIBRQIAPC-GFCCVEGCSA-N 0 0 345.428 1.834 10 30 EDEERN CNC(=O)[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)C(C)C ZINC000178435276 442433846 /nfs/dbraw/zinc/43/38/46/442433846.db2.gz DSEDUWDZJYJVMV-MRXNPFEDSA-N 0 0 343.431 1.160 10 30 EDEERN N#CCOc1ccc(CC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000172768934 442539858 /nfs/dbraw/zinc/53/98/58/442539858.db2.gz AVJVFUYMUZKDGN-MRXNPFEDSA-N 0 0 329.400 1.065 10 30 EDEERN N#CCCCOc1cccnc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000188788252 442812942 /nfs/dbraw/zinc/81/29/42/442812942.db2.gz WKCFLTKNUVWGOB-LBPRGKRZSA-N 0 0 341.375 1.492 10 30 EDEERN C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000194951643 442971009 /nfs/dbraw/zinc/97/10/09/442971009.db2.gz IJJIGIAQOBRVIX-CQSZACIVSA-N 0 0 337.464 1.751 10 30 EDEERN C=CCN(CC=C)C(=O)[C@H](C)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190800972 443186291 /nfs/dbraw/zinc/18/62/91/443186291.db2.gz QXYUYLNVQLSQJY-RDJZCZTQSA-N 0 0 332.448 1.865 10 30 EDEERN CCn1cc([C@@H]2CN(CC(=O)NC3(C#N)CCCCC3)CCO2)cn1 ZINC000190821328 443189720 /nfs/dbraw/zinc/18/97/20/443189720.db2.gz BMXHLJVSFYLHJH-INIZCTEOSA-N 0 0 345.447 1.619 10 30 EDEERN N#C[C@@H]1CC=C(c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)CC1 ZINC000584596840 448582336 /nfs/dbraw/zinc/58/23/36/448582336.db2.gz NHHDXOPPKKPUND-SECBINFHSA-N 0 0 330.373 1.221 10 30 EDEERN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(CCOCC)[C@H](C)C1 ZINC000105835239 526535307 /nfs/dbraw/zinc/53/53/07/526535307.db2.gz ZUOIBALNOGEMBH-IAGOWNOFSA-N 0 0 325.497 1.842 10 30 EDEERN C=CC[C@H](C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1 ZINC000163862700 527137004 /nfs/dbraw/zinc/13/70/04/527137004.db2.gz OXLZJGZFJQWAGY-QMMMGPOBSA-N 0 0 347.234 1.791 10 30 EDEERN C=CCN(CC=C)C(=O)[C@H](C)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000105893598 527633865 /nfs/dbraw/zinc/63/38/65/527633865.db2.gz HLWFEBCVDWKTKH-ZWKOTPCHSA-N 0 0 346.475 1.790 10 30 EDEERN CCOC(=O)N1CCN(c2noc([C@H](N)C(C)(C)S)n2)CC1 ZINC000757120747 579964666 /nfs/dbraw/zinc/96/46/66/579964666.db2.gz HSPIBBHQRKTAHX-VIFPVBQESA-N 0 0 329.426 1.056 10 30 EDEERN C#CCOc1ccc(C(=O)N2CCN(CCOCC)[C@H](C)C2)cc1 ZINC000121397200 594588699 /nfs/dbraw/zinc/58/86/99/594588699.db2.gz NBRNZBURSJWIJT-MRXNPFEDSA-N 0 0 330.428 1.881 10 30 EDEERN N#Cc1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000130268757 598077320 /nfs/dbraw/zinc/07/73/20/598077320.db2.gz KJRYRFQDHJUZSK-HOTGVXAUSA-N 0 0 341.323 1.291 10 30 EDEERN N#Cc1ccc(OCCNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173895997 231064505 /nfs/dbraw/zinc/06/45/05/231064505.db2.gz HSRHZLNUJPPAII-MRXNPFEDSA-N 0 0 344.415 1.053 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccn(CCC#N)n1)CC2 ZINC000173379720 529751372 /nfs/dbraw/zinc/75/13/72/529751372.db2.gz SVJMHSVRDXHHAS-LLVKDONJSA-N 0 0 328.380 1.087 10 30 EDEERN CCNC(=[NH+]CC)S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000004459196 210194378 /nfs/dbraw/zinc/19/43/78/210194378.db2.gz OHVLUMXZCQGDPV-LBPRGKRZSA-N 0 0 349.412 1.735 10 30 EDEERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000102102271 219186180 /nfs/dbraw/zinc/18/61/80/219186180.db2.gz MRWLQGUORVMADC-HNNXBMFYSA-N 0 0 342.399 1.404 10 30 EDEERN C=CCNc1ncnc(N2CCC(C(=O)OCC)CC2)c1[N+](=O)[O-] ZINC000040598601 213356651 /nfs/dbraw/zinc/35/66/51/213356651.db2.gz PQQLCIHQNUMEBR-UHFFFAOYSA-N 0 0 335.364 1.762 10 30 EDEERN Cc1cnn(C[C@H]2CN(C(=O)Nc3ccc(C#N)cc3)CCO2)c1 ZINC000112104022 220243253 /nfs/dbraw/zinc/24/32/53/220243253.db2.gz YTZVIWFTMAYMMS-MRXNPFEDSA-N 0 0 325.372 1.996 10 30 EDEERN Cn1nccc1C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000159313386 225193088 /nfs/dbraw/zinc/19/30/88/225193088.db2.gz KFDHWZJSODCYND-UHFFFAOYSA-N 0 0 330.413 1.860 10 30 EDEERN Cc1nc(CN2CCCN(C(=O)c3ccc(C#N)cc3C)CC2)no1 ZINC000122185143 222031426 /nfs/dbraw/zinc/03/14/26/222031426.db2.gz FKKBJJNRFGYLQS-UHFFFAOYSA-N 0 0 339.399 1.906 10 30 EDEERN Cc1cc(C#N)ccc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000124158441 222384111 /nfs/dbraw/zinc/38/41/11/222384111.db2.gz IJMYUITUQKNVDB-UHFFFAOYSA-N 0 0 347.382 1.267 10 30 EDEERN C=CCNC(=O)N1CC[C@H]2CC(=O)N(CCc3c[nH]cn3)CC[C@H]2C1 ZINC000015672887 441207567 /nfs/dbraw/zinc/20/75/67/441207567.db2.gz YBPYWDXLBXPYAZ-GJZGRUSLSA-N 0 0 345.447 1.408 10 30 EDEERN C[C@H](N[C@@H](C)c1nnc2n1CCCC2)C(=O)NC1(C#N)CCCCC1 ZINC000173625955 441807252 /nfs/dbraw/zinc/80/72/52/441807252.db2.gz ACXBXMJSKCETMD-KBPBESRZSA-N 0 0 344.463 1.996 10 30 EDEERN CCOCCN1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@@H]1CC ZINC000150768490 441946899 /nfs/dbraw/zinc/94/68/99/441946899.db2.gz RXYDDSFTZMGJGM-AWEZNQCLSA-N 0 0 333.392 1.799 10 30 EDEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(C)c1C#N ZINC000176018822 442162272 /nfs/dbraw/zinc/16/22/72/442162272.db2.gz IHYBTHSDEYDVAM-CQSZACIVSA-N 0 0 338.371 1.356 10 30 EDEERN Cc1noc([C@@H]2COCCN2C(=O)c2ccccc2OCC#N)n1 ZINC000187228010 442661608 /nfs/dbraw/zinc/66/16/08/442661608.db2.gz ZLKSGRAKTORARK-ZDUSSCGKSA-N 0 0 328.328 1.494 10 30 EDEERN C#CCOc1ccccc1NC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000188083680 442709074 /nfs/dbraw/zinc/70/90/74/442709074.db2.gz NKPNGIWEMMLFKS-OAHLLOKOSA-N 0 0 331.416 1.883 10 30 EDEERN C[C@](C#N)(NC(=O)CN1C[C@H](CO)[C@H](c2ccsc2)C1)C1CC1 ZINC000188108338 442712383 /nfs/dbraw/zinc/71/23/83/442712383.db2.gz FYLWPXCUTQLMJN-UKPHBRMFSA-N 0 0 333.457 1.564 10 30 EDEERN CN(C[C@@H]1CN(C)CCO1)c1ncc(Br)cc1C#N ZINC000590689226 449246891 /nfs/dbraw/zinc/24/68/91/449246891.db2.gz MWMGKLNNWWABRW-LBPRGKRZSA-N 0 0 325.210 1.483 10 30 EDEERN CCN1C(=O)CC[C@H](C(=O)N2CC(C)(C#N)C2)[C@H]1c1nccn1C ZINC000597605308 450142374 /nfs/dbraw/zinc/14/23/74/450142374.db2.gz UQQYYCUOSQICGN-JSGCOSHPSA-N 0 0 329.404 1.092 10 30 EDEERN CCCCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000616589281 450453814 /nfs/dbraw/zinc/45/38/14/450453814.db2.gz WXUWOACRYZHYQL-QCODTGAPSA-N 0 0 336.494 1.660 10 30 EDEERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)CCCCC#N)CC2 ZINC000159351049 528338213 /nfs/dbraw/zinc/33/82/13/528338213.db2.gz GYMPFGBFQMDAMN-GFCCVEGCSA-N 0 0 325.438 1.330 10 30 EDEERN CCN(C[C@H](C)C#N)S(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1 ZINC000157482933 528718735 /nfs/dbraw/zinc/71/87/35/528718735.db2.gz XKPQEKWBUWRCMX-SSDOTTSWSA-N 0 0 333.395 1.112 10 30 EDEERN CNc1ncc(Br)cc1S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000050670701 214065888 /nfs/dbraw/zinc/06/58/88/214065888.db2.gz FACHCELXMIILRS-QMMMGPOBSA-N 0 0 347.238 1.666 10 30 EDEERN N/C(CCCNS(=O)(=O)c1cc(Cl)ccc1Cl)=N/O ZINC000054136609 214217541 /nfs/dbraw/zinc/21/75/41/214217541.db2.gz JNHHKGDEUKYUIB-UHFFFAOYSA-N 0 0 326.205 1.798 10 30 EDEERN C[C@H](CNC(=O)c1ccc(I)cc1)/C(N)=N/O ZINC000054155222 214221069 /nfs/dbraw/zinc/22/10/69/214221069.db2.gz NUFZPLGEAFFKKC-SSDOTTSWSA-N 0 0 347.156 1.404 10 30 EDEERN N#Cc1ccccc1OCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111089868 220099736 /nfs/dbraw/zinc/09/97/36/220099736.db2.gz FFKNTQLDPAIYOC-HNNXBMFYSA-N 0 0 326.356 1.061 10 30 EDEERN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246409390 139107363 /nfs/dbraw/zinc/10/73/63/139107363.db2.gz FBEJHDQBKIBKPC-ZBFHGGJFSA-N 0 0 349.456 1.208 10 30 EDEERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CCN1CCOC ZINC000117526283 221074314 /nfs/dbraw/zinc/07/43/14/221074314.db2.gz XRQHHDSYFFAWBR-INIZCTEOSA-N 0 0 344.415 1.066 10 30 EDEERN COc1ccc(C#N)cc1CN1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000159990602 533269551 /nfs/dbraw/zinc/26/95/51/533269551.db2.gz MKPHJPVJQCKJKT-KRWDZBQOSA-N 0 0 326.400 1.973 10 30 EDEERN CCn1cc(C(=O)[O-])c(=O)c2cc(C#N)c(N3CC[NH2+]CC3)cc21 ZINC000028767202 441436935 /nfs/dbraw/zinc/43/69/35/441436935.db2.gz FBAUFTZKDYXZSZ-UHFFFAOYSA-N 0 0 326.356 1.001 10 30 EDEERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(F)c(C#N)c1)CC2 ZINC000114906454 441695928 /nfs/dbraw/zinc/69/59/28/441695928.db2.gz DJMPVWVQFFSLKV-LBPRGKRZSA-N 0 0 328.351 1.988 10 30 EDEERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)Nc1cccc(C#N)c1 ZINC000161213939 441974001 /nfs/dbraw/zinc/97/40/01/441974001.db2.gz XEBCXRALKLOKCT-UHFFFAOYSA-N 0 0 346.412 1.889 10 30 EDEERN C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000160924663 441937043 /nfs/dbraw/zinc/93/70/43/441937043.db2.gz YBHZCPIHFOZYJU-HNNXBMFYSA-N 0 0 341.415 1.999 10 30 EDEERN CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H](C)C#N)cc2)c1C ZINC000125557871 442030756 /nfs/dbraw/zinc/03/07/56/442030756.db2.gz VPLCUWSPYAFNCO-LLVKDONJSA-N 0 0 326.356 1.999 10 30 EDEERN N#Cc1ccc(CSCC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000172756467 442535271 /nfs/dbraw/zinc/53/52/71/442535271.db2.gz LZEGYCKOXBAQHG-KRWDZBQOSA-N 0 0 345.468 1.725 10 30 EDEERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192122927 442597683 /nfs/dbraw/zinc/59/76/83/442597683.db2.gz CYJGFUKGPXKRCU-IAOVAPTHSA-N 0 0 341.411 1.590 10 30 EDEERN Cc1cnn(CCNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000181828569 442718198 /nfs/dbraw/zinc/71/81/98/442718198.db2.gz HWONUWPFMXWTGG-ZDUSSCGKSA-N 0 0 341.371 1.237 10 30 EDEERN C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCCN1c1cc(NC)ncn1 ZINC000188204595 442724039 /nfs/dbraw/zinc/72/40/39/442724039.db2.gz QXPHFYVPQLEKCM-KDOFPFPSSA-N 0 0 347.463 1.832 10 30 EDEERN CCCCOC[C@H](O)CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000193371305 442736426 /nfs/dbraw/zinc/73/64/26/442736426.db2.gz IRMIGHMFGCZUQU-OAHLLOKOSA-N 0 0 335.423 1.997 10 30 EDEERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C#N)c(O)c1 ZINC000188667123 442783349 /nfs/dbraw/zinc/78/33/49/442783349.db2.gz ODXXXNZPABESEN-LBPRGKRZSA-N 0 0 327.344 1.267 10 30 EDEERN CCOc1cc(C)nc(N2CCN(C(=O)NC[C@@H](C)C#N)CC2)n1 ZINC000182827985 442831940 /nfs/dbraw/zinc/83/19/40/442831940.db2.gz GPKYEGKEDTWXSY-LBPRGKRZSA-N 0 0 332.408 1.175 10 30 EDEERN CCn1cc([C@H]2CN(S(=O)(=O)CCCCC#N)CCO2)cn1 ZINC000189222733 442900233 /nfs/dbraw/zinc/90/02/33/442900233.db2.gz AVGMCDCFFFMKPU-CQSZACIVSA-N 0 0 326.422 1.300 10 30 EDEERN CCO[C@@H]1C[C@H](NC(=O)Nc2ccn(CCC#N)n2)C12CCOCC2 ZINC000184384177 443015946 /nfs/dbraw/zinc/01/59/46/443015946.db2.gz WPVIETYYLZLQKU-UONOGXRCSA-N 0 0 347.419 1.892 10 30 EDEERN CCCCCCCCCCCC(=O)O[C@H](CO)[C@@H]1OC[C@H](O)[C@@H]1O ZINC000306146566 444288205 /nfs/dbraw/zinc/28/82/05/444288205.db2.gz KCFFTRNUGSQDSY-MVJTYMMSSA-N 0 0 346.464 1.932 10 30 EDEERN CCO/C=C(/C(=O)OCC)C(=O)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000575602310 447866126 /nfs/dbraw/zinc/86/61/26/447866126.db2.gz MCVFTHQDGBLIGS-RVROTUBLSA-N 0 0 327.377 1.908 10 30 EDEERN N#Cc1ccc2cc(-c3ccc(N4CC[NH2+]CC4)nn3)c(=O)cc-2[nH]1 ZINC000584629448 448586217 /nfs/dbraw/zinc/58/62/17/448586217.db2.gz HFDKNFYGTRBYDP-UHFFFAOYSA-N 0 0 332.367 1.679 10 30 EDEERN COC(=O)Cc1cc(C#N)cc([N+](=O)[O-])c1I ZINC000575392063 449087543 /nfs/dbraw/zinc/08/75/43/449087543.db2.gz AGAYBWLXRIEYRB-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN COc1ccc(N2C[C@H](C(=O)Nc3c(C#N)cnn3C)CC2=O)cc1 ZINC000170496906 534019992 /nfs/dbraw/zinc/01/99/92/534019992.db2.gz CHYKBCGIYYHDRS-LLVKDONJSA-N 0 0 339.355 1.292 10 30 EDEERN C=C(C)CN(CC)C(=O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105806583 526521708 /nfs/dbraw/zinc/52/17/08/526521708.db2.gz OPPRRQFGUWHVAY-UHFFFAOYSA-N 0 0 331.464 1.802 10 30 EDEERN C=CCN(CC=C)C(=O)CN1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000105865666 527610636 /nfs/dbraw/zinc/61/06/36/527610636.db2.gz FSONKAWKHXPMQZ-UHFFFAOYSA-N 0 0 345.491 1.355 10 30 EDEERN CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169267955 528434970 /nfs/dbraw/zinc/43/49/70/528434970.db2.gz CXQHNNBILWVZEH-VIFPVBQESA-N 0 0 329.809 1.405 10 30 EDEERN N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 ZINC000888095604 591026394 /nfs/dbraw/zinc/02/63/94/591026394.db2.gz UGKUZWBURHKLHK-LZWOXQAQSA-N 0 0 347.802 1.768 10 30 EDEERN C=C(Br)CNC(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114945897 596179998 /nfs/dbraw/zinc/17/99/98/596179998.db2.gz YVDNAPSEQYXLNQ-VIFPVBQESA-N 0 0 328.214 1.363 10 30 EDEERN Cc1noc([C@@H]2CC(=O)N(C3CN(c4nccc(C)c4C#N)C3)C2)n1 ZINC000864308514 596827644 /nfs/dbraw/zinc/82/76/44/596827644.db2.gz WGZOTXLMNJQYGJ-GFCCVEGCSA-N 0 0 338.371 1.158 10 30 EDEERN C#CCN1CCN(C(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)CC1 ZINC000128228230 597852795 /nfs/dbraw/zinc/85/27/95/597852795.db2.gz NXOMDUNELGRCBZ-GOSISDBHSA-N 0 0 341.455 1.527 10 30 EDEERN N#Cc1ccc(-c2nnc(CN3CC[C@H](N4CCOCC4)C3)o2)cc1 ZINC000173921545 231071423 /nfs/dbraw/zinc/07/14/23/231071423.db2.gz ZLJRGWDOMLMSOK-INIZCTEOSA-N 0 0 339.399 1.515 10 30 EDEERN C[C@H]1C[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000075523711 138242916 /nfs/dbraw/zinc/24/29/16/138242916.db2.gz GCYSPEMWCKBBMG-BLLLJJGKSA-N 0 0 347.440 1.484 10 30 EDEERN CCOC(=O)C=CC(=O)NC(=S)N(CCC#N)Cc1ccccc1 ZINC000036564321 213100589 /nfs/dbraw/zinc/10/05/89/213100589.db2.gz BVUFFYOYQAXUPD-MDZDMXLPSA-N 0 0 345.424 1.923 10 30 EDEERN CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173891192 138676331 /nfs/dbraw/zinc/67/63/31/138676331.db2.gz UADXJYXGJFDYBL-OAHLLOKOSA-N 0 0 344.415 1.895 10 30 EDEERN C[C@](C#N)(NC(=O)CN1CCC(Nc2cccnn2)CC1)C1CC1 ZINC000105804808 237069890 /nfs/dbraw/zinc/06/98/90/237069890.db2.gz FUMJGIGYDXSNBB-QGZVFWFLSA-N 0 0 328.420 1.161 10 30 EDEERN N#CCOc1ccccc1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111086263 237109758 /nfs/dbraw/zinc/10/97/58/237109758.db2.gz LCHAKKCOGBPSHZ-AWEZNQCLSA-N 0 0 326.356 1.327 10 30 EDEERN C=CCC[C@@H](CN(C)CC(=O)N(C)C)Oc1cncc(N(C)C)n1 ZINC000072409708 216200873 /nfs/dbraw/zinc/20/08/73/216200873.db2.gz OLYFTILSKZXSQP-AWEZNQCLSA-N 0 0 335.452 1.276 10 30 EDEERN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCC1CCOCC1 ZINC000329308563 249835317 /nfs/dbraw/zinc/83/53/17/249835317.db2.gz QFVKYZPRECXXTO-AWEZNQCLSA-N 0 0 347.481 1.121 10 30 EDEERN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1[NH+](C)C ZINC000252792271 139205408 /nfs/dbraw/zinc/20/54/08/139205408.db2.gz VFOQMPRTNGHOMA-GXFFZTMASA-N 0 0 327.837 1.782 10 30 EDEERN c1ccc(N(OCCOC[C@@H]2CO2)OCCOC[C@@H]2CO2)cc1 ZINC000005933758 210561048 /nfs/dbraw/zinc/56/10/48/210561048.db2.gz XCBLHARHDZIEJQ-HZPDHXFCSA-N 0 0 325.361 1.187 10 30 EDEERN COCc1nc2n(n1)CCC[C@@H]2NCc1ccc(OC)c(C#N)c1 ZINC000153969509 224183228 /nfs/dbraw/zinc/18/32/28/224183228.db2.gz OBLCAANYKFBNIU-AWEZNQCLSA-N 0 0 327.388 1.929 10 30 EDEERN Cc1cc(Br)ccc1-n1ncc(C#N)c1S(N)(=O)=O ZINC000165949729 226142352 /nfs/dbraw/zinc/14/23/52/226142352.db2.gz RRILBXVEFWYKHH-UHFFFAOYSA-N 0 0 341.190 1.462 10 30 EDEERN O=C1Nc2ccc(F)cc2/C1=N/NC(=S)N[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215710171 280303222 /nfs/dbraw/zinc/30/32/22/280303222.db2.gz PKOCLWMNQICPDX-RWEMILLDSA-N 0 0 330.388 1.911 10 30 EDEERN N#Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1 ZINC000045408745 440982071 /nfs/dbraw/zinc/98/20/71/440982071.db2.gz BNISRLXNJWZSHE-KRWDZBQOSA-N 0 0 332.367 1.645 10 30 EDEERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000026130551 441366961 /nfs/dbraw/zinc/36/69/61/441366961.db2.gz KKSRZNSJKDCWRT-BBRMVZONSA-N 0 0 349.456 1.940 10 30 EDEERN C#CCOc1ccc(F)cc1NC(=O)N1CCN(C[C@H](O)CC)CC1 ZINC000136838145 441728085 /nfs/dbraw/zinc/72/80/85/441728085.db2.gz SZTPEIPXHQKKGU-OAHLLOKOSA-N 0 0 349.406 1.758 10 30 EDEERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(F)cc2C#N)cn1 ZINC000175977876 442156254 /nfs/dbraw/zinc/15/62/54/442156254.db2.gz UTUPOEGKGURABC-HNNXBMFYSA-N 0 0 341.346 1.733 10 30 EDEERN C=CCNC(=O)CNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000181701758 442711346 /nfs/dbraw/zinc/71/13/46/442711346.db2.gz UKZROQNRMBTPDV-BBRMVZONSA-N 0 0 331.416 1.250 10 30 EDEERN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCNC(=O)[C@H]2C)c1 ZINC000189342539 442925350 /nfs/dbraw/zinc/92/53/50/442925350.db2.gz CRQJRYRGIXIDTM-MRXNPFEDSA-N 0 0 342.443 1.761 10 30 EDEERN NC(=S)NN=Cc1cc(Br)c(Br)o1 ZINC000252448233 443023272 /nfs/dbraw/zinc/02/32/72/443023272.db2.gz UETQBSZDSYSNIK-UHFFFAOYSA-N 0 0 327.001 1.972 10 30 EDEERN Cc1ccc(-n2nc(C#N)c(N(C)[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000256047814 443115386 /nfs/dbraw/zinc/11/53/86/443115386.db2.gz OXNOMWZKQCJLFS-CYBMUJFWSA-N 0 0 331.401 1.071 10 30 EDEERN CN(C(=O)C(F)(F)F)c1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC000226280308 443121532 /nfs/dbraw/zinc/12/15/32/443121532.db2.gz BAPXVCDTOTUGGQ-UHFFFAOYSA-N 0 0 326.322 1.835 10 30 EDEERN CC(C)n1cc([C@@]2(O)CCN(Cc3ccc(F)cc3C#N)C2)nn1 ZINC000583618148 448446252 /nfs/dbraw/zinc/44/62/52/448446252.db2.gz GATXWHXQMNOCMR-QGZVFWFLSA-N 0 0 329.379 1.963 10 30 EDEERN COC(=O)Cc1cc(I)cc([N+](=O)[O-])c1C#N ZINC000575392080 449087155 /nfs/dbraw/zinc/08/71/55/449087155.db2.gz AWWZDVYUPORGGP-UHFFFAOYSA-N 0 0 346.080 1.787 10 30 EDEERN C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)C[C@H]1N1CCOCC1 ZINC000173804659 533829235 /nfs/dbraw/zinc/82/92/35/533829235.db2.gz IWZSBCNBNSYHIF-MAUKXSAKSA-N 0 0 327.428 1.670 10 30 EDEERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)CCCCC#N)C2)no1 ZINC000109343077 534409588 /nfs/dbraw/zinc/40/95/88/534409588.db2.gz CSWJBAZIJMVRRJ-ZDUSSCGKSA-N 0 0 326.422 1.656 10 30 EDEERN CC#CCNC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000154434442 526381254 /nfs/dbraw/zinc/38/12/54/526381254.db2.gz RFXZUFLHQDYLFG-OAHLLOKOSA-N 0 0 327.409 1.823 10 30 EDEERN C=C(Br)CNc1cnn(CC(=O)OC)c(=O)c1Cl ZINC000158552874 526429407 /nfs/dbraw/zinc/42/94/07/526429407.db2.gz VGYJBJJNOCTBEW-UHFFFAOYSA-N 0 0 336.573 1.390 10 30 EDEERN C=C(C)COCCNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000164168429 526652100 /nfs/dbraw/zinc/65/21/00/526652100.db2.gz BXDYUXVTZSURJF-UHFFFAOYSA-N 0 0 332.809 1.310 10 30 EDEERN C#CCN(C)S(=O)(=O)c1cc(N)c(Br)cc1OC ZINC000164408334 526831187 /nfs/dbraw/zinc/83/11/87/526831187.db2.gz BUEHEBJSVLPAEY-UHFFFAOYSA-N 0 0 333.207 1.294 10 30 EDEERN C#CCn1ncc(NC2CCSCC2)c(Br)c1=O ZINC000158877601 527194002 /nfs/dbraw/zinc/19/40/02/527194002.db2.gz ZKQGCXLKFVEWID-UHFFFAOYSA-N 0 0 328.235 1.947 10 30 EDEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCC(Nc2cccnn2)CC1 ZINC000105804805 527928304 /nfs/dbraw/zinc/92/83/04/527928304.db2.gz VYXHMZZOFALMNT-KRWDZBQOSA-N 0 0 330.436 1.407 10 30 EDEERN N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1 ZINC000888095603 591025687 /nfs/dbraw/zinc/02/56/87/591025687.db2.gz UGKUZWBURHKLHK-DZKIICNBSA-N 0 0 347.802 1.768 10 30 EDEERN C[C@@H](C#N)CN(C)S(=O)(=O)c1cc(Br)cnc1N ZINC000050670725 214065519 /nfs/dbraw/zinc/06/55/19/214065519.db2.gz DJGKVSOKLZHRNL-ZETCQYMHSA-N 0 0 333.211 1.206 10 30 EDEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173691142 231007510 /nfs/dbraw/zinc/00/75/10/231007510.db2.gz HPOCHXRRAVEXKG-AWEZNQCLSA-N 0 0 338.371 1.260 10 30 EDEERN CCc1nnc([C@H]2CN(C(=O)c3cccc(CC#N)c3)CCO2)[nH]1 ZINC000173609354 529701682 /nfs/dbraw/zinc/70/16/82/529701682.db2.gz MFSCEEFOGJXJDD-CQSZACIVSA-N 0 0 325.372 1.647 10 30 EDEERN C=CCNC(=O)Cn1c(CCCNC(=O)CC)nc2ccccc21 ZINC000040299934 213289928 /nfs/dbraw/zinc/28/99/28/213289928.db2.gz DOQPKPGMUUOBMZ-UHFFFAOYSA-N 0 0 328.416 1.797 10 30 EDEERN C/C(=N/NC(=S)NC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000035790151 213048411 /nfs/dbraw/zinc/04/84/11/213048411.db2.gz NWWDMROGCBVOJR-FHNWIRHTSA-N 0 0 335.429 1.825 10 30 EDEERN CCn1cnnc1[C@@H]1CCCN(C(=O)COc2ccccc2C#N)C1 ZINC000109854398 219998538 /nfs/dbraw/zinc/99/85/38/219998538.db2.gz DQSMBNBTLMCABK-OAHLLOKOSA-N 0 0 339.399 1.955 10 30 EDEERN CCCCNS(=O)(=O)c1cccc(C(=O)N(CC#N)CC#N)c1 ZINC000020631054 212157191 /nfs/dbraw/zinc/15/71/91/212157191.db2.gz JCNIXKJESPQGIS-UHFFFAOYSA-N 0 0 334.401 1.254 10 30 EDEERN Cc1oc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C#N)c1C ZINC000246391471 139106757 /nfs/dbraw/zinc/10/67/57/139106757.db2.gz IWZLBBCHZCBLNG-WBMJQRKESA-N 0 0 346.431 1.359 10 30 EDEERN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)N1CC(O)(C2CC2)C1 ZINC000329305406 249833027 /nfs/dbraw/zinc/83/30/27/249833027.db2.gz YHQCAGLYRWDPIE-LBPRGKRZSA-N 0 0 337.370 1.914 10 30 EDEERN CC(=O)N1CCc2c(C#N)c(NC(=O)c3cc(C)n(C)n3)sc2C1 ZINC000009001826 211029909 /nfs/dbraw/zinc/02/99/09/211029909.db2.gz LFQKNMQIQCRIAR-UHFFFAOYSA-N 0 0 343.412 1.819 10 30 EDEERN N#Cc1cc(F)c(C(=O)N2CCC[C@H](Cn3cncn3)C2)c(F)c1 ZINC000119777742 221398832 /nfs/dbraw/zinc/39/88/32/221398832.db2.gz ONDVOTLLDSJJGV-NSHDSACASA-N 0 0 331.326 1.980 10 30 EDEERN Cc1cnn([C@@H]2CCCN(CC(=O)N(CCC#N)CCC#N)C2)c1 ZINC000105901649 441313369 /nfs/dbraw/zinc/31/33/69/441313369.db2.gz RDIFXBKXEUAPBC-MRXNPFEDSA-N 0 0 328.420 1.484 10 30 EDEERN N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCCc3ccccc32)n1 ZINC000086431690 441465231 /nfs/dbraw/zinc/46/52/31/441465231.db2.gz AKUGPGGKFVSRRO-HNNXBMFYSA-N 0 0 337.383 1.929 10 30 EDEERN CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)CC2 ZINC000114862981 441693027 /nfs/dbraw/zinc/69/30/27/441693027.db2.gz QOEXOGMBNVZZLS-TZMCWYRMSA-N 0 0 339.399 1.611 10 30 EDEERN C#Cc1cccc(NC(=O)N2CCO[C@H](c3nnc(CC)[nH]3)C2)c1 ZINC000158352767 441727918 /nfs/dbraw/zinc/72/79/18/441727918.db2.gz HVTBXAKMZLFPBG-AWEZNQCLSA-N 0 0 325.372 1.954 10 30 EDEERN Cc1nnc([C@H]2CN(C(=O)CSc3ccc(C#N)cc3)CCO2)[nH]1 ZINC000173519572 441776198 /nfs/dbraw/zinc/77/61/98/441776198.db2.gz FYYFUYQTKMZZKL-CQSZACIVSA-N 0 0 343.412 1.677 10 30 EDEERN N#Cc1ccc(OCCNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173895981 441857938 /nfs/dbraw/zinc/85/79/38/441857938.db2.gz HSRHZLNUJPPAII-INIZCTEOSA-N 0 0 344.415 1.053 10 30 EDEERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000119909579 441973406 /nfs/dbraw/zinc/97/34/06/441973406.db2.gz CLRIHLWEMQHOBP-GFCCVEGCSA-N 0 0 333.392 1.992 10 30 EDEERN C[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)C[C@H]1N1CCOCC1 ZINC000121364943 442208669 /nfs/dbraw/zinc/20/86/69/442208669.db2.gz IPTDXIUNWYXXFV-IAQYHMDHSA-N 0 0 335.354 1.629 10 30 EDEERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1cccc(C#N)c1 ZINC000176573451 442236178 /nfs/dbraw/zinc/23/61/78/442236178.db2.gz SDXCWKKGFSFBPR-QHCPKHFHSA-N 0 0 332.389 1.013 10 30 EDEERN N#Cc1ccc(S(=O)(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000176883016 442266570 /nfs/dbraw/zinc/26/65/70/442266570.db2.gz RJIUJOIJBJLQMY-HUUCEWRRSA-N 0 0 344.392 1.283 10 30 EDEERN N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000171114205 442314803 /nfs/dbraw/zinc/31/48/03/442314803.db2.gz ICPAREZCNZMBLX-HZPDHXFCSA-N 0 0 327.384 1.458 10 30 EDEERN Cc1noc([C@@H]2COCCN2C(=O)CSc2ccc(C#N)cc2)n1 ZINC000155412571 442396882 /nfs/dbraw/zinc/39/68/82/442396882.db2.gz NVAIRDCITRTEHJ-AWEZNQCLSA-N 0 0 344.396 1.942 10 30 EDEERN N#Cc1ccc(NC2CCN(CC(N)=O)CC2)c(Br)c1 ZINC000134580868 442497101 /nfs/dbraw/zinc/49/71/01/442497101.db2.gz FETYXYJDCRLYLB-UHFFFAOYSA-N 0 0 337.221 1.682 10 30 EDEERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(C#N)cc2C)n1 ZINC000186348425 442517022 /nfs/dbraw/zinc/51/70/22/442517022.db2.gz BGMGGJTXTZVNIQ-ZDUSSCGKSA-N 0 0 348.384 1.320 10 30 EDEERN C#Cc1cccc(NC(=O)CNC(=O)[C@H]2COCCN2CCCC)c1 ZINC000184289097 443008836 /nfs/dbraw/zinc/00/88/36/443008836.db2.gz DNLAWIBFNRQSFT-QGZVFWFLSA-N 0 0 343.427 1.224 10 30 EDEERN C=CCN(CCOC)C(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000190033395 443050321 /nfs/dbraw/zinc/05/03/21/443050321.db2.gz LHHMWVOMTHBQCZ-GJZGRUSLSA-N 0 0 326.437 1.805 10 30 EDEERN CCN(c1nn(-c2ccccc2F)nc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000256046196 443115378 /nfs/dbraw/zinc/11/53/78/443115378.db2.gz DKMJBEZQCXKSGM-NSHDSACASA-N 0 0 349.391 1.291 10 30 EDEERN C=CCCC(=O)N1CCC(n2cc(C(=O)NCC(C)C)nn2)CC1 ZINC000011872320 518693086 /nfs/dbraw/zinc/69/30/86/518693086.db2.gz YIMNMYPFNVMCFY-UHFFFAOYSA-N 0 0 333.436 1.794 10 30 EDEERN N#CCOc1ccc(CC(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000126583871 534690345 /nfs/dbraw/zinc/69/03/45/534690345.db2.gz YCGVNHDWLRMTMG-MRXNPFEDSA-N 0 0 339.399 1.662 10 30 EDEERN C=C(Br)CNS(=O)(=O)c1ccc(OC)cc1OC ZINC000161410333 526429250 /nfs/dbraw/zinc/42/92/50/526429250.db2.gz WMRQTTDGTDBXGF-UHFFFAOYSA-N 0 0 336.207 1.891 10 30 EDEERN C=CCOc1ccccc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111087007 526924174 /nfs/dbraw/zinc/92/41/74/526924174.db2.gz TVCQREWRPAVIAS-OAHLLOKOSA-N 0 0 327.384 1.989 10 30 EDEERN C=CCOc1ccccc1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173862037 526939721 /nfs/dbraw/zinc/93/97/21/526939721.db2.gz GBPPFWDVUAVRBH-QGZVFWFLSA-N 0 0 345.443 1.868 10 30 EDEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000888076702 590931450 /nfs/dbraw/zinc/93/14/50/590931450.db2.gz JYIUGPDOKVSLRH-DYVFJYSZSA-N 0 0 339.399 1.811 10 30 EDEERN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)C(C)(C)C#N ZINC000130727856 597616980 /nfs/dbraw/zinc/61/69/80/597616980.db2.gz QPELAMFRPQHGJW-WDEREUQCSA-N 0 0 342.392 1.974 10 30 EDEERN CCc1nc(C2(NCC(=O)N[C@](C)(C#N)C3CC3)CCCC2)no1 ZINC000173690910 529731251 /nfs/dbraw/zinc/73/12/51/529731251.db2.gz WBVWKEWKCVBEOQ-MRXNPFEDSA-N 0 0 331.420 1.799 10 30 EDEERN Cc1c(C(=O)Nc2cccnc2)oc2c1C(=NNC(=N)N)CCC2 ZINC000040824866 213390430 /nfs/dbraw/zinc/39/04/30/213390430.db2.gz XCOOMBOKRBVEFQ-SRZZPIQSSA-N 0 0 326.360 1.759 10 30 EDEERN C=C(C)c1cccc(C(C)(C)NC(=O)NCCS(=O)(=O)NC)c1 ZINC000040636400 213362309 /nfs/dbraw/zinc/36/23/09/213362309.db2.gz HNSQKNUCFXFRDP-UHFFFAOYSA-N 0 0 339.461 1.803 10 30 EDEERN C#CCOC[C@H](O)CN(Cc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036099788 540122245 /nfs/dbraw/zinc/12/22/45/540122245.db2.gz JUPFJRSWWAVBGL-SJORKVTESA-N 0 0 339.382 1.957 10 30 EDEERN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)n1 ZINC000091244629 138283557 /nfs/dbraw/zinc/28/35/57/138283557.db2.gz WDYNBTZZYKNQQN-AAEUAGOBSA-N 0 0 347.419 1.116 10 30 EDEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000132699679 138381175 /nfs/dbraw/zinc/38/11/75/138381175.db2.gz YFGLWECKCMZNFZ-OAHLLOKOSA-N 0 0 347.371 1.934 10 30 EDEERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3ccc(C#N)cc3)CCO2)c1 ZINC000112104019 220242911 /nfs/dbraw/zinc/24/29/11/220242911.db2.gz YTZVIWFTMAYMMS-INIZCTEOSA-N 0 0 325.372 1.996 10 30 EDEERN CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000247373289 249316211 /nfs/dbraw/zinc/31/62/11/249316211.db2.gz UZSJHUITBICEMP-RHSMWYFYSA-N 0 0 347.463 1.209 10 30 EDEERN COC1=C(Br)[C@H](O)[C@](O)(CC#N)C=C1Br ZINC000003871415 284755427 /nfs/dbraw/zinc/75/54/27/284755427.db2.gz BGYNLOSBKBOJJD-IUCAKERBSA-N 0 0 338.983 1.537 10 30 in-vitro EDEERN COCCN(CCC#N)S(=O)(=O)c1cc(C)c(Cl)c(N)c1 ZINC000164756138 533329751 /nfs/dbraw/zinc/32/97/51/533329751.db2.gz WBPBIVDQCUZSMN-UHFFFAOYSA-N 0 0 331.825 1.781 10 30 EDEERN C=CCC[C@H](CN1CCN(C(C)=O)CC1)Oc1ccc(C#N)cn1 ZINC000072422851 441230996 /nfs/dbraw/zinc/23/09/96/441230996.db2.gz LLHFJRNRJBUOOK-QGZVFWFLSA-N 0 0 328.416 1.831 10 30 EDEERN Cc1cccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1C#N ZINC000173383189 441730215 /nfs/dbraw/zinc/73/02/15/441730215.db2.gz VLQSKVRXJFFWKV-CYBMUJFWSA-N 0 0 337.383 1.555 10 30 EDEERN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000121770221 441777062 /nfs/dbraw/zinc/77/70/62/441777062.db2.gz RYIHGFBDVXSYOY-NSHDSACASA-N 0 0 331.401 1.526 10 30 EDEERN C#CCOc1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000120086791 442006091 /nfs/dbraw/zinc/00/60/91/442006091.db2.gz QQTYGPSQQGRGSB-QGZVFWFLSA-N 0 0 325.368 1.436 10 30 EDEERN CC(C)(C)n1cc(CN2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cn1 ZINC000175661817 442101402 /nfs/dbraw/zinc/10/14/02/442101402.db2.gz ZNTXTVLKXPHEMU-UHFFFAOYSA-N 0 0 340.431 1.796 10 30 EDEERN C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C1CC1 ZINC000176934299 442275718 /nfs/dbraw/zinc/27/57/18/442275718.db2.gz 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442809188 /nfs/dbraw/zinc/80/91/88/442809188.db2.gz AEKMGBFBCWBMLC-JSGCOSHPSA-N 0 0 336.461 1.889 10 30 EDEERN CC(=O)N[C@@H]1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000249681839 442999339 /nfs/dbraw/zinc/99/93/39/442999339.db2.gz DUGLHLFRAHGNQY-QXCFYTAISA-N 0 0 348.491 1.906 10 30 EDEERN CO[C@H]1C[C@@H](C(N)=O)N(Cc2cccn2Cc2ccccc2C#N)C1 ZINC000284518352 443778143 /nfs/dbraw/zinc/77/81/43/443778143.db2.gz IQHLSLFFDSMGIF-ROUUACIJSA-N 0 0 338.411 1.483 10 30 EDEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328636149 444406082 /nfs/dbraw/zinc/40/60/82/444406082.db2.gz NWRPDHIIYJNZJY-BMIGLBTASA-N 0 0 334.380 1.200 10 30 EDEERN N#C[C@H]1CC=C(c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)CC1 ZINC000584596841 448582368 /nfs/dbraw/zinc/58/23/68/448582368.db2.gz NHHDXOPPKKPUND-VIFPVBQESA-N 0 0 330.373 1.221 10 30 EDEERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1cccc(Br)c1C#N ZINC000596432881 449500585 /nfs/dbraw/zinc/50/05/85/449500585.db2.gz GGVHJZKKCRKPMB-NEPJUHHUSA-N 0 0 345.218 1.545 10 30 EDEERN Cn1ccnc1[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000595347358 450062019 /nfs/dbraw/zinc/06/20/19/450062019.db2.gz SYCAJTOZWUKPBQ-DZGCQCFKSA-N 0 0 346.412 1.348 10 30 EDEERN CC(C)(C)N1C[C@H](NC(=O)[C@H]2COCCN2CC(F)F)CC1=O ZINC000329287916 534674460 /nfs/dbraw/zinc/67/44/60/534674460.db2.gz PJBRAWBPBUQDSZ-GHMZBOCLSA-N 0 0 333.379 1.308 10 30 EDEERN O=C(NC1CCS(=O)CC1)c1ccc(C#CCO)c(Cl)c1 ZINC000158972683 534799208 /nfs/dbraw/zinc/79/92/08/534799208.db2.gz NOPYMIZRDZYNAG-UHFFFAOYSA-N 0 0 325.817 1.325 10 30 EDEERN CCN(C[C@H](C)C#N)C(=O)CN1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000105864734 528693724 /nfs/dbraw/zinc/69/37/24/528693724.db2.gz WHTUSNIVLCMSOH-KGLIPLIRSA-N 0 0 348.451 1.065 10 30 EDEERN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)[C@]2(O)CCSC2)C1 ZINC000329385706 535221450 /nfs/dbraw/zinc/22/14/50/535221450.db2.gz QAKMAFSWXBDYQT-NHYWBVRUSA-N 0 0 338.433 1.592 10 30 EDEERN COc1ccc2nc(N3CCN(S(C)(=O)=O)CC3)c(C#N)cc2c1 ZINC000036135420 537055166 /nfs/dbraw/zinc/05/51/66/537055166.db2.gz 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ZINC000132705976 138381559 /nfs/dbraw/zinc/38/15/59/138381559.db2.gz WUYJDUKTTQXLDP-HNNXBMFYSA-N 0 0 329.381 1.795 10 30 EDEERN COc1ccc(Br)cc1S(=O)(=O)N(C)CCC#N ZINC000037383185 213142592 /nfs/dbraw/zinc/14/25/92/213142592.db2.gz GRHYFMWLRWCNFH-UHFFFAOYSA-N 0 0 333.207 1.992 10 30 EDEERN C=CCn1c(C(=O)NC2CC2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561456 213038031 /nfs/dbraw/zinc/03/80/31/213038031.db2.gz LLAUKARYIBZWLM-UHFFFAOYSA-N 0 0 347.440 1.970 10 30 EDEERN C=CCN(CCC(=O)OC)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000071619605 215788672 /nfs/dbraw/zinc/78/86/72/215788672.db2.gz HICWLDVOKCZDSU-UHFFFAOYSA-N 0 0 337.372 1.904 10 30 EDEERN C[C@H](C(=O)[O-])N1C(=O)c2c(cccc2OC2CC[NH+](C)CC2)C1C#N ZINC000071682799 215795302 /nfs/dbraw/zinc/79/53/02/215795302.db2.gz SPTSXLXSEUSQJQ-BXUZGUMPSA-N 0 0 343.383 1.653 10 30 EDEERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)NC3(C#N)CCCCC3)CCO2)[nH]1 ZINC000173357548 237258941 /nfs/dbraw/zinc/25/89/41/237258941.db2.gz WNQJKICXHZBCBP-JSGCOSHPSA-N 0 0 346.435 1.218 10 30 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