smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C(F)(F)N2CCC3(C=Cc4ccccc43)CC2)nc1Cl ZINC001164422283 718908402 /nfs/dbraw/zinc/90/84/02/718908402.db2.gz ZFVNVEUIRHTZSE-UHFFFAOYSA-N 0 0 371.818 4.717 20 30 FJEDRN C=CCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nnc1-c1ccco1 ZINC000028503264 210166596 /nfs/dbraw/zinc/16/65/96/210166596.db2.gz YJFGXFBYLODBBG-HNNXBMFYSA-N 0 0 367.474 4.704 20 30 FJEDRN C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000026949426 210161698 /nfs/dbraw/zinc/16/16/98/210161698.db2.gz NFJSSAQLJAANQZ-INIZCTEOSA-N 0 0 369.461 4.538 20 30 FJEDRN C=CCN(C(=O)c1sc(CC)nc1C)c1nc(-c2ccccc2)cs1 ZINC000109583699 210144243 /nfs/dbraw/zinc/14/42/43/210144243.db2.gz FJNCTHWFKJLQRQ-UHFFFAOYSA-N 0 0 369.515 4.970 20 30 FJEDRN C=CCn1c(S[C@@H](C)c2cc(F)ccc2F)nc2ccccc2c1=O ZINC000108455958 210140669 /nfs/dbraw/zinc/14/06/69/210140669.db2.gz RTPPFCBUQZTCQH-LBPRGKRZSA-N 0 0 358.413 4.714 20 30 FJEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000107917079 210139541 /nfs/dbraw/zinc/13/95/41/210139541.db2.gz UENXRCVVZLTCSR-OALUTQOASA-N 0 0 372.390 4.789 20 30 FJEDRN C=CCN(C(=O)CCc1c(C)noc1C)c1nc(-c2ccccc2)cs1 ZINC000104787777 210135323 /nfs/dbraw/zinc/13/53/23/210135323.db2.gz UKTPSOHAPSNNLH-UHFFFAOYSA-N 0 0 367.474 4.567 20 30 FJEDRN C[C@@H](C#N)Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000009570740 210099081 /nfs/dbraw/zinc/09/90/81/210099081.db2.gz UICQDWVWOKSSSN-ZDUSSCGKSA-N 0 0 354.866 4.516 20 30 FJEDRN COc1cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000006580434 210090725 /nfs/dbraw/zinc/09/07/25/210090725.db2.gz CHHFOXLSIHVHPS-FNORWQNLSA-N 0 0 367.228 4.915 20 30 FJEDRN C[C@H](C#N)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000006586837 210089531 /nfs/dbraw/zinc/08/95/31/210089531.db2.gz JGLDIFYNGHTTOJ-CYBMUJFWSA-N 0 0 354.866 4.651 20 30 FJEDRN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2cccc3ccccc32)n1 ZINC000005642853 210086976 /nfs/dbraw/zinc/08/69/76/210086976.db2.gz MPKGDKBXYMXNBI-OAHLLOKOSA-N 0 0 361.470 4.843 20 30 FJEDRN C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1N1CCCC1 ZINC000056561016 210070446 /nfs/dbraw/zinc/07/04/46/210070446.db2.gz JQGCKDLJLQKMHF-UHFFFAOYSA-N 0 0 353.441 4.646 20 30 FJEDRN CC(C)Cn1c(SCCC#N)nnc1-c1ccc(Cl)cc1Cl ZINC000005536009 203811102 /nfs/dbraw/zinc/81/11/02/203811102.db2.gz IWWFRYALOCCYES-UHFFFAOYSA-N 0 0 355.294 4.914 20 30 FJEDRN CCCCCn1c(S[C@H](C)C#N)nc2sc3c(c2c1=O)CCCC3 ZINC000005865450 203812473 /nfs/dbraw/zinc/81/24/73/203812473.db2.gz BILCYMXVXNKYHW-GFCCVEGCSA-N 0 0 361.536 4.531 20 30 FJEDRN S=C1N=NC(c2cccs2)N1N=Cc1ccc(-c2ccccc2)cc1 ZINC000028380271 203870759 /nfs/dbraw/zinc/87/07/59/203870759.db2.gz OVJMENDRWKOIOJ-DEDYPNTBSA-N 0 0 362.483 4.845 20 30 FJEDRN N#Cc1c(NC(=O)c2cc(F)c(F)c(F)c2F)sc2c1CCCCC2 ZINC000003221694 204081653 /nfs/dbraw/zinc/08/16/53/204081653.db2.gz ZECMIJIGNAUJGD-UHFFFAOYSA-N 0 0 368.355 4.697 20 30 FJEDRN CCN(C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccccc1 ZINC000006424764 204248304 /nfs/dbraw/zinc/24/83/04/204248304.db2.gz KPBAWPQIMIFLKI-UHFFFAOYSA-N 0 0 356.425 4.657 20 30 FJEDRN Cc1c(NC(=O)c2ccccc2-c2ccccc2C#N)cccc1[N+](=O)[O-] ZINC000057728339 211978099 /nfs/dbraw/zinc/97/80/99/211978099.db2.gz DZEYMCPHUPEUBR-UHFFFAOYSA-N 0 0 357.369 4.694 20 30 FJEDRN Cc1cc(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)on1 ZINC000107649062 206022124 /nfs/dbraw/zinc/02/21/24/206022124.db2.gz PJLUDGSXMUSVIJ-INIZCTEOSA-N 0 0 351.793 4.544 20 30 FJEDRN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000029005976 211503382 /nfs/dbraw/zinc/50/33/82/211503382.db2.gz VSBBLCWIYGAVFT-OAHLLOKOSA-N 0 0 354.409 4.535 20 30 FJEDRN N#Cc1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1Cl ZINC000015532680 211131168 /nfs/dbraw/zinc/13/11/68/211131168.db2.gz XFVGGTSVKAPWOF-UHFFFAOYSA-N 0 0 371.824 4.655 20 30 FJEDRN C[C@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000015029947 211115175 /nfs/dbraw/zinc/11/51/75/211115175.db2.gz BYENWOOTJHESCQ-VIFPVBQESA-N 0 0 352.793 4.609 20 30 FJEDRN C[C@H](Sc1ccc(F)cc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000015024499 211114587 /nfs/dbraw/zinc/11/45/87/211114587.db2.gz DWVKCYPCVPXPSU-VIFPVBQESA-N 0 0 352.793 4.609 20 30 FJEDRN N#Cc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000001514804 210358643 /nfs/dbraw/zinc/35/86/43/210358643.db2.gz SMZQLIHPCBNCKU-UHFFFAOYSA-N 0 0 371.421 4.793 20 30 FJEDRN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000071901290 221385951 /nfs/dbraw/zinc/38/59/51/221385951.db2.gz IOOKNUIMPRTRPZ-GOSISDBHSA-N 0 0 355.825 4.589 20 30 FJEDRN CCOc1ccc(-c2nc(C(=O)Nc3ccc(CC#N)cc3)cs2)cc1 ZINC000106007681 222380416 /nfs/dbraw/zinc/38/04/16/222380416.db2.gz POAHHRRYKJCSQV-UHFFFAOYSA-N 0 0 363.442 4.527 20 30 FJEDRN CC(C)(C)c1cc(CCC(=O)N2CCC(C#N)CC2)cc(C(C)(C)C)c1O ZINC000109528124 222464363 /nfs/dbraw/zinc/46/43/63/222464363.db2.gz FMUHSEZVSFYWGI-UHFFFAOYSA-N 0 0 370.537 4.682 20 30 FJEDRN COc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1O ZINC000033414709 523401317 /nfs/dbraw/zinc/40/13/17/523401317.db2.gz QVDREVJYIZBBGO-ACCUITESSA-N 0 0 360.409 4.876 20 30 FJEDRN CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(C#N)c(F)c3)c(C)c2c1 ZINC000568069502 567835367 /nfs/dbraw/zinc/83/53/67/567835367.db2.gz XAMOORJGFYCNAP-UHFFFAOYSA-N 0 0 364.376 4.526 20 30 FJEDRN N#Cc1ccc2c(c1)[C@@H](NCc1csc(CCc3ccccc3)n1)CC2 ZINC000568071572 567835540 /nfs/dbraw/zinc/83/55/40/567835540.db2.gz LXLDLNBWMJELLK-NRFANRHFSA-N 0 0 359.498 4.577 20 30 FJEDRN N#Cc1cc(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)ccc1Cl ZINC000541834140 567930039 /nfs/dbraw/zinc/93/00/39/567930039.db2.gz XTIUOIHRCCFXCE-SFHVURJKSA-N 0 0 356.828 4.588 20 30 FJEDRN N#Cc1ccc(Oc2cccc(NC(=O)c3ccnn3C3CCCC3)c2)cc1 ZINC000481436200 567937255 /nfs/dbraw/zinc/93/72/55/567937255.db2.gz NRYRBJRHNMHAHJ-UHFFFAOYSA-N 0 0 372.428 4.914 20 30 FJEDRN CC(C)(C)c1csc(CC2CCN(C(=O)CCCCCC#N)CC2)n1 ZINC000602179341 567942711 /nfs/dbraw/zinc/94/27/11/567942711.db2.gz FZSTVCPDBDXWTM-UHFFFAOYSA-N 0 0 361.555 4.696 20 30 FJEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@@H](C)CC(C)C ZINC000481457768 567957276 /nfs/dbraw/zinc/95/72/76/567957276.db2.gz XQSOUIVFXRKASL-KRWDZBQOSA-N 0 0 367.497 4.806 20 30 FJEDRN CC1(C)CN(C(=O)N[C@H](CCCC#N)c2ccccc2)[C@H]1c1ccco1 ZINC000602321882 567967227 /nfs/dbraw/zinc/96/72/27/567967227.db2.gz WXEPLWLUPUVPDW-MJGOQNOKSA-N 0 0 351.450 4.807 20 30 FJEDRN COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)cn1 ZINC000330263364 567968762 /nfs/dbraw/zinc/96/87/62/567968762.db2.gz WKGZAUNBGWFWLR-DOTOQJQBSA-N 0 0 367.449 4.611 20 30 FJEDRN C=CCC[C@@H](C(=O)N[C@H](C)c1noc(-c2ccccc2)n1)c1ccccc1 ZINC000188585694 567972855 /nfs/dbraw/zinc/97/28/55/567972855.db2.gz NPSVSJWKQNCAHI-VQIMIIECSA-N 0 0 361.445 4.664 20 30 FJEDRN Cc1cc(F)ccc1N(CC#N)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000602387401 567974341 /nfs/dbraw/zinc/97/43/41/567974341.db2.gz RCGGEZYLMPCZHG-UHFFFAOYSA-N 0 0 364.342 4.799 20 30 FJEDRN C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(COCc2ccccc2)cc1 ZINC000602496455 567983424 /nfs/dbraw/zinc/98/34/24/567983424.db2.gz DFBAQYJARXOBIJ-IBGZPJMESA-N 0 0 364.489 4.914 20 30 FJEDRN C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000602497052 567983493 /nfs/dbraw/zinc/98/34/93/567983493.db2.gz ROUTYXLVNVXORX-KRWDZBQOSA-N 0 0 369.509 4.716 20 30 FJEDRN C[C@H](CC1(C#N)CCOCC1)Nc1cccc(CSC2CCOCC2)c1 ZINC000602500417 567983864 /nfs/dbraw/zinc/98/38/64/567983864.db2.gz ZYAZVOSYXRRVKS-QGZVFWFLSA-N 0 0 374.550 4.610 20 30 FJEDRN CC(C)c1nccn1Cc1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602488032 567985801 /nfs/dbraw/zinc/98/58/01/567985801.db2.gz REBHRBPTKHSZRQ-SFHVURJKSA-N 0 0 366.509 4.566 20 30 FJEDRN C[C@H](CC1(C#N)CCOCC1)Nc1cccc(CSc2ccccn2)c1 ZINC000602492173 567986335 /nfs/dbraw/zinc/98/63/35/567986335.db2.gz UMCKISSGHYQALX-QGZVFWFLSA-N 0 0 367.518 4.885 20 30 FJEDRN COc1ccc(-c2csc(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)c2)cc1 ZINC000602572000 567996230 /nfs/dbraw/zinc/99/62/30/567996230.db2.gz INMFALHPBTUOQN-INIZCTEOSA-N 0 0 370.518 4.612 20 30 FJEDRN N#CCCC[C@@H](NCc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1 ZINC000602669422 568014483 /nfs/dbraw/zinc/01/44/83/568014483.db2.gz IQMUXXFHFNMHGQ-OAQYLSRUSA-N 0 0 371.488 4.669 20 30 FJEDRN CC(C)(C#N)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000602759685 568032638 /nfs/dbraw/zinc/03/26/38/568032638.db2.gz PKGLPOPHDZGGSX-OAQYLSRUSA-N 0 0 371.440 4.847 20 30 FJEDRN CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(C(C)(C)C#N)cc1 ZINC000602759554 568032665 /nfs/dbraw/zinc/03/26/65/568032665.db2.gz NUPXQMBRRQMPRT-SFHVURJKSA-N 0 0 353.853 4.728 20 30 FJEDRN CN(C(=O)c1cc(C#N)ccc1Cl)c1nc2cc(Cl)ccc2s1 ZINC000568438171 568038207 /nfs/dbraw/zinc/03/82/07/568038207.db2.gz JCSLXZSLKQONHD-UHFFFAOYSA-N 0 0 362.241 4.751 20 30 FJEDRN Cc1ccc2[nH]c([C@H]3CCCN(c4cc(C#N)c5ccccc5n4)C3)nc2c1 ZINC000568458106 568040088 /nfs/dbraw/zinc/04/00/88/568040088.db2.gz TWYNLBBRYXCZGU-INIZCTEOSA-N 0 0 367.456 4.675 20 30 FJEDRN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000568466917 568040712 /nfs/dbraw/zinc/04/07/12/568040712.db2.gz DJEFROOJBQRAHL-LBPRGKRZSA-N 0 0 369.446 4.539 20 30 FJEDRN C=CCOc1ccccc1CNC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000605974971 568045373 /nfs/dbraw/zinc/04/53/73/568045373.db2.gz RVPNZNPKEDLYNZ-SFHVURJKSA-N 0 0 354.450 4.671 20 30 FJEDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000603010867 568046488 /nfs/dbraw/zinc/04/64/88/568046488.db2.gz JQGBLRHDOACNFO-FXAWDEMLSA-N 0 0 354.498 4.531 20 30 FJEDRN Cc1ncc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)s1 ZINC000602838991 568050959 /nfs/dbraw/zinc/05/09/59/568050959.db2.gz FBCUPTVBHFCHLX-NWDGAFQWSA-N 0 0 360.508 4.586 20 30 FJEDRN Cc1ncc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 ZINC000602840862 568051392 /nfs/dbraw/zinc/05/13/92/568051392.db2.gz MFKYDEOLOABTOG-NEPJUHHUSA-N 0 0 360.508 4.729 20 30 FJEDRN CN(CC(C)(C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481567398 568053022 /nfs/dbraw/zinc/05/30/22/568053022.db2.gz GZUUGWPRSSNHJQ-UHFFFAOYSA-N 0 0 369.440 4.786 20 30 FJEDRN C=CCCCSCc1nc(Cc2cccc(Br)c2)no1 ZINC000522758679 568053891 /nfs/dbraw/zinc/05/38/91/568053891.db2.gz JAEFJZNUVVSQRU-UHFFFAOYSA-N 0 0 353.285 4.622 20 30 FJEDRN CCN(CCC#N)C(=O)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000603063862 568057169 /nfs/dbraw/zinc/05/71/69/568057169.db2.gz CAROHSIWLJDRKQ-VXGBXAGGSA-N 0 0 374.432 4.747 20 30 FJEDRN Cn1ccnc1[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1F ZINC000568580495 568061052 /nfs/dbraw/zinc/06/10/52/568061052.db2.gz PCKBNSBFWYNVSB-FCHUYYIVSA-N 0 0 374.463 4.578 20 30 FJEDRN CC[C@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481596786 568061566 /nfs/dbraw/zinc/06/15/66/568061566.db2.gz MAZRKBJHGCUPJW-AWEZNQCLSA-N 0 0 355.413 4.539 20 30 FJEDRN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481591688 568063689 /nfs/dbraw/zinc/06/36/89/568063689.db2.gz AFBIFFLCFYZGRJ-LLVKDONJSA-N 0 0 365.330 4.941 20 30 FJEDRN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000066397004 568066813 /nfs/dbraw/zinc/06/68/13/568066813.db2.gz JLIDKKZQUOTQBY-MRXNPFEDSA-N 0 0 371.824 4.540 20 30 FJEDRN C=CC1CCN(C(=O)N[C@H](Cc2ccccc2)c2sccc2C)CC1 ZINC000605989251 568067132 /nfs/dbraw/zinc/06/71/32/568067132.db2.gz ZRPHLYVXDKLDMC-LJQANCHMSA-N 0 0 354.519 4.948 20 30 FJEDRN N#Cc1cc(NC(=O)N2CCC(=Cc3cccc(F)c3)CC2)ccc1F ZINC000481621548 568068475 /nfs/dbraw/zinc/06/84/75/568068475.db2.gz HNDUZZMBDQVSLK-UHFFFAOYSA-N 0 0 353.372 4.548 20 30 FJEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000066954966 568072243 /nfs/dbraw/zinc/07/22/43/568072243.db2.gz KXDSJAZGXJXZCT-QGPMSJSTSA-N 0 0 351.475 4.758 20 30 FJEDRN C[C@H](c1ncc(-c2ccccc2)o1)n1cc(CC2(C#N)CCCCC2)nn1 ZINC000603221714 568077309 /nfs/dbraw/zinc/07/73/09/568077309.db2.gz GAYYWXBNDHZRSS-MRXNPFEDSA-N 0 0 361.449 4.559 20 30 FJEDRN C[C@@H]1Cc2sc(NC(=O)c3nc4cccnc4s3)c(C#N)c2[C@@H](C)C1 ZINC000568602113 568078997 /nfs/dbraw/zinc/07/89/97/568078997.db2.gz QKKZODKCHKFFRK-UWVGGRQHSA-N 0 0 368.487 4.563 20 30 FJEDRN N#Cc1cc(NC(=O)N2CCC(CCc3ccccc3)CC2)ccc1F ZINC000481657868 568081785 /nfs/dbraw/zinc/08/17/85/568081785.db2.gz LANSZCSGSVSYJK-UHFFFAOYSA-N 0 0 351.425 4.574 20 30 FJEDRN Cc1cccc(CN(Cc2ccco2)C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000481657242 568082120 /nfs/dbraw/zinc/08/21/20/568082120.db2.gz KGIZLNBWAVAXNG-UHFFFAOYSA-N 0 0 363.392 4.833 20 30 FJEDRN C=CCn1c(Sc2nc3ccccc3s2)nnc1-c1ccccc1 ZINC000302920201 568083150 /nfs/dbraw/zinc/08/31/50/568083150.db2.gz HOLKBMHCGOSLHW-UHFFFAOYSA-N 0 0 350.472 4.892 20 30 FJEDRN N#Cc1cc(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)ccc1Cl ZINC000541892677 568083189 /nfs/dbraw/zinc/08/31/89/568083189.db2.gz PYSMAJMGQTUZPA-AWEZNQCLSA-N 0 0 374.696 4.523 20 30 FJEDRN Cc1nc2c(cccc2C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[nH]1 ZINC000568605633 568085109 /nfs/dbraw/zinc/08/51/09/568085109.db2.gz AAPQTIFDTQHBMS-UHFFFAOYSA-N 0 0 368.396 4.788 20 30 FJEDRN CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568612580 568087629 /nfs/dbraw/zinc/08/76/29/568087629.db2.gz STGIADDXZBNEMW-KRWDZBQOSA-N 0 0 357.841 4.835 20 30 FJEDRN CC[C@@H](C)CN(CC)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000481711917 568091032 /nfs/dbraw/zinc/09/10/32/568091032.db2.gz AOBZCPMWGLHLBC-CQSZACIVSA-N 0 0 356.495 4.505 20 30 FJEDRN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2ccc(F)c(C#N)c2)C2CC2)o1 ZINC000481747770 568108244 /nfs/dbraw/zinc/10/82/44/568108244.db2.gz XBEZSRKCSBKPDB-SJKOYZFVSA-N 0 0 353.397 4.610 20 30 FJEDRN Cc1ccc(-n2ncc(C(=O)Nc3ccc(CC#N)cc3)c2C(C)C)cc1 ZINC000603565656 568119172 /nfs/dbraw/zinc/11/91/72/568119172.db2.gz HXPVXFYPHIUXQU-UHFFFAOYSA-N 0 0 358.445 4.623 20 30 FJEDRN N#C[C@@H](NC(=O)c1ccccc1Oc1cccnc1)c1ccc(Cl)cc1 ZINC000159301928 568123685 /nfs/dbraw/zinc/12/36/85/568123685.db2.gz HJESAFISYLDGJV-GOSISDBHSA-N 0 0 363.804 4.522 20 30 FJEDRN N#C[C@H](NC(=O)c1ccccc1Oc1cccnc1)c1ccc(Cl)cc1 ZINC000159301788 568123727 /nfs/dbraw/zinc/12/37/27/568123727.db2.gz HJESAFISYLDGJV-SFHVURJKSA-N 0 0 363.804 4.522 20 30 FJEDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000568697553 568127424 /nfs/dbraw/zinc/12/74/24/568127424.db2.gz ONSNIZCFHQGHAE-MEMLXQNLSA-N 0 0 361.489 4.733 20 30 FJEDRN N#CCc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000603730983 568144969 /nfs/dbraw/zinc/14/49/69/568144969.db2.gz NZYMTPQPPQVJQB-OAQYLSRUSA-N 0 0 360.844 4.925 20 30 FJEDRN CC(C)(C)c1ccc(Cn2nccc2NC(=O)c2cccc(CC#N)c2)cc1 ZINC000603733814 568146025 /nfs/dbraw/zinc/14/60/25/568146025.db2.gz LYAGHQYATHKCMT-UHFFFAOYSA-N 0 0 372.472 4.547 20 30 FJEDRN N#Cc1c(CN[C@H](c2cccs2)c2ccc(F)cc2)cn2ccccc12 ZINC000568716399 568148822 /nfs/dbraw/zinc/14/88/22/568148822.db2.gz VGVKENWLWABPKU-NRFANRHFSA-N 0 0 361.445 4.891 20 30 FJEDRN N#Cc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2F)c1 ZINC000603843528 568155794 /nfs/dbraw/zinc/15/57/94/568155794.db2.gz KEWOSIFVCVCNRJ-UHFFFAOYSA-N 0 0 359.404 4.932 20 30 FJEDRN CC[C@@H](C)[C@@H](C(=O)Nc1nc(C)c(SCC#N)s1)c1ccccc1 ZINC000603775091 568156757 /nfs/dbraw/zinc/15/67/57/568156757.db2.gz VOFCGQANMCCROS-IUODEOHRSA-N 0 0 359.520 4.836 20 30 FJEDRN CCc1cccc(Oc2ccc(NC(=O)c3cccc(CC#N)c3)cn2)c1 ZINC000603775112 568156787 /nfs/dbraw/zinc/15/67/87/568156787.db2.gz YPLMCJUWXDNSFY-UHFFFAOYSA-N 0 0 357.413 4.755 20 30 FJEDRN CC[C@@H](C)[C@H](C(=O)Nc1nc(C)c(SCC#N)s1)c1ccccc1 ZINC000603775060 568156834 /nfs/dbraw/zinc/15/68/34/568156834.db2.gz VOFCGQANMCCROS-DOMZBBRYSA-N 0 0 359.520 4.836 20 30 FJEDRN C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1 ZINC000603765138 568160039 /nfs/dbraw/zinc/16/00/39/568160039.db2.gz QBQMHMMCURCDDC-UHFFFAOYSA-N 0 0 371.396 4.563 20 30 FJEDRN N#Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000007094269 568168313 /nfs/dbraw/zinc/16/83/13/568168313.db2.gz XAPAHGSGXMVACK-UHFFFAOYSA-N 0 0 351.258 4.737 20 30 FJEDRN CCN(CCC#N)C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000603900394 568179893 /nfs/dbraw/zinc/17/98/93/568179893.db2.gz GEQBITVQWMVBIW-FQEVSTJZSA-N 0 0 372.921 4.925 20 30 FJEDRN CCCCOc1c(Cl)cc(C(=O)N[C@@](C)(C#N)C(C)C)cc1OCC ZINC000302222537 568185661 /nfs/dbraw/zinc/18/56/61/568185661.db2.gz OJPANBSGRUQOSC-IBGZPJMESA-N 0 0 366.889 4.586 20 30 FJEDRN COc1cc2ccccc2cc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000603971049 568188376 /nfs/dbraw/zinc/18/83/76/568188376.db2.gz 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COCCOc1ccc(F)cc1N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481998306 568219846 /nfs/dbraw/zinc/21/98/46/568219846.db2.gz KDZOCBRGYCTHSI-LJQANCHMSA-N 0 0 354.425 4.602 20 30 FJEDRN Cc1sc(NC(=O)c2cnn(C(C)C)c2-c2ccccc2)c(C#N)c1C ZINC000617129972 568221419 /nfs/dbraw/zinc/22/14/19/568221419.db2.gz VQVOQEBJBJGIQI-UHFFFAOYSA-N 0 0 364.474 4.933 20 30 FJEDRN C[C@H](c1noc(C(C)(C)c2cc(F)cc(C#N)c2)n1)c1c(F)cccc1F ZINC000568874616 568241927 /nfs/dbraw/zinc/24/19/27/568241927.db2.gz ZJDPOFURCYLYPY-NSHDSACASA-N 0 0 371.362 4.836 20 30 FJEDRN C=CCN(Cc1cccc(C#N)c1)Cc1cc(Br)ccc1OC ZINC000302989753 568246267 /nfs/dbraw/zinc/24/62/67/568246267.db2.gz MHLJPJKOHNNZAF-UHFFFAOYSA-N 0 0 371.278 4.518 20 30 FJEDRN N#Cc1ccc(NC(=O)c2ccn(Cc3ccccc3)c2)cc1C(F)(F)F ZINC000541932933 568246517 /nfs/dbraw/zinc/24/65/17/568246517.db2.gz ZWEPZPODZXOSSI-UHFFFAOYSA-N 0 0 369.346 4.679 20 30 FJEDRN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](CCC)c1ccccc1 ZINC000302998446 568246972 /nfs/dbraw/zinc/24/69/72/568246972.db2.gz 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ZINC000022415810 568274373 /nfs/dbraw/zinc/27/43/73/568274373.db2.gz WBZFKRQGZUOXHA-UHFFFAOYSA-N 0 0 353.381 4.854 20 30 FJEDRN N#Cc1cccc(C2(NC(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)c1 ZINC000569108204 568277774 /nfs/dbraw/zinc/27/77/74/568277774.db2.gz LFUXNKQMUVTKMH-YADHBBJMSA-N 0 0 352.437 4.620 20 30 FJEDRN C=CCN1C(=O)c2ccccc2N[C@@H]1c1cnc(-c2ccc(C)cc2)s1 ZINC000604414525 568279299 /nfs/dbraw/zinc/27/92/99/568279299.db2.gz XHNHNUMZECMSLU-IBGZPJMESA-N 0 0 361.470 4.871 20 30 FJEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000303845051 568281794 /nfs/dbraw/zinc/28/17/94/568281794.db2.gz QXBSKDMEKUNHOG-IAGOWNOFSA-N 0 0 373.855 4.806 20 30 FJEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000303845056 568281798 /nfs/dbraw/zinc/28/17/98/568281798.db2.gz QXBSKDMEKUNHOG-SJORKVTESA-N 0 0 373.855 4.806 20 30 FJEDRN N#Cc1ccc(SCc2coc(-c3ccc(Br)cc3)n2)nc1 ZINC000604439375 568294029 /nfs/dbraw/zinc/29/40/29/568294029.db2.gz IFNDRCDGVMQMQL-UHFFFAOYSA-N 0 0 372.247 4.663 20 30 FJEDRN N#CCCCOc1cccc(NC(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000604456238 568294999 /nfs/dbraw/zinc/29/49/99/568294999.db2.gz NQKLIAFMXUKMSD-UHFFFAOYSA-N 0 0 370.478 4.739 20 30 FJEDRN Cn1ccnc1[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1cccc(F)c1 ZINC000584694958 568296161 /nfs/dbraw/zinc/29/61/61/568296161.db2.gz ARGBGVFXYDKQKU-YADHBBJMSA-N 0 0 374.463 4.578 20 30 FJEDRN N#Cc1ccc(NC(=O)N2CCC(c3cccc(Cl)c3)CC2)cc1F ZINC000584690109 568297216 /nfs/dbraw/zinc/29/72/16/568297216.db2.gz VIQWOIJNNQZOIA-UHFFFAOYSA-N 0 0 357.816 4.762 20 30 FJEDRN CC(C)c1nc2ccc(N[C@@H](C)C(=O)NC3(C#N)CCCCC3)cc2s1 ZINC000604469199 568297655 /nfs/dbraw/zinc/29/76/55/568297655.db2.gz YSOTZRCTRLNRLV-AWEZNQCLSA-N 0 0 370.522 4.563 20 30 FJEDRN N#CCCN(Cc1ccco1)C(=O)CCn1c2ccccc2c2ccccc21 ZINC000604537797 568309096 /nfs/dbraw/zinc/30/90/96/568309096.db2.gz KZAYEJIDUUIZBS-UHFFFAOYSA-N 0 0 371.440 4.720 20 30 FJEDRN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000569198480 568310439 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ZINC000031813520 568340984 /nfs/dbraw/zinc/34/09/84/568340984.db2.gz WLJYJIQVLARACU-UHFFFAOYSA-N 0 0 364.351 4.668 20 30 FJEDRN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000604696401 568351072 /nfs/dbraw/zinc/35/10/72/568351072.db2.gz CNAANYHLQSARPT-OALUTQOASA-N 0 0 374.390 4.502 20 30 FJEDRN C=CCc1cc(CNC(=O)C[C@@H](C)c2ccccc2C)cc(OC)c1OC ZINC000604704700 568353393 /nfs/dbraw/zinc/35/33/93/568353393.db2.gz NWAKCYVMJKPYBR-QGZVFWFLSA-N 0 0 367.489 4.551 20 30 FJEDRN C=CCn1c2ccccc2nc1SCC(=O)Nc1ccc(C)cc1C ZINC000004492893 568374787 /nfs/dbraw/zinc/37/47/87/568374787.db2.gz DJBICXLCRQZOEI-UHFFFAOYSA-N 0 0 351.475 4.570 20 30 FJEDRN Cc1nc(C2CC2)ccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000569315938 568376187 /nfs/dbraw/zinc/37/61/87/568376187.db2.gz RQYWLSRISYKFGO-UHFFFAOYSA-N 0 0 351.475 4.722 20 30 FJEDRN CC(C)c1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n(C)n1 ZINC000541998432 568377568 /nfs/dbraw/zinc/37/75/68/568377568.db2.gz QNOUQJVIDJPJKI-MRXNPFEDSA-N 0 0 372.472 4.573 20 30 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N#Cc1ccc(CCC(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1 ZINC000025934109 568503390 /nfs/dbraw/zinc/50/33/90/568503390.db2.gz MDEXMAJMYRVSOI-UHFFFAOYSA-N 0 0 357.413 4.662 20 30 FJEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](CC)CC2)cc1 ZINC000605031047 568528514 /nfs/dbraw/zinc/52/85/14/568528514.db2.gz MSFVLGVEZXAAGP-SFHVURJKSA-N 0 0 369.509 4.545 20 30 FJEDRN C=CCOc1ccccc1CNC(=O)Nc1ccc2c(cnn2C(C)C)c1 ZINC000605042300 568536584 /nfs/dbraw/zinc/53/65/84/568536584.db2.gz RWFFGLZEXJWYAD-UHFFFAOYSA-N 0 0 364.449 4.504 20 30 FJEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000605061982 568547205 /nfs/dbraw/zinc/54/72/05/568547205.db2.gz DPCTWHKLNNBLQN-UHFFFAOYSA-N 0 0 366.505 4.662 20 30 FJEDRN CC[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C(C)C)c1cc(F)ccc1F ZINC000570892177 568613059 /nfs/dbraw/zinc/61/30/59/568613059.db2.gz LAQKWDFHIOMUHV-HXUWFJFHSA-N 0 0 371.431 4.908 20 30 FJEDRN C=CCN(C(=O)[C@H](C)Cc1ccccc1F)c1nc2c(s1)CCCC2 ZINC000606159292 568678647 /nfs/dbraw/zinc/67/86/47/568678647.db2.gz 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Cc1sc2nc(S[C@H](C)C#N)n(-c3cccc(C)c3C)c(=O)c2c1C ZINC000022842756 211364522 /nfs/dbraw/zinc/36/45/22/211364522.db2.gz AHMWVIVQNIABGU-LLVKDONJSA-N 0 0 369.515 4.685 20 30 FJEDRN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000022126854 211340905 /nfs/dbraw/zinc/34/09/05/211340905.db2.gz LADSSVMOYGRTOF-NSHDSACASA-N 0 0 357.306 4.817 20 30 FJEDRN N#Cc1ccc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000078619471 132377332 /nfs/dbraw/zinc/37/73/32/132377332.db2.gz UHTHTWCJQOPTIN-IBGZPJMESA-N 0 0 361.272 4.815 20 30 FJEDRN N#Cc1ccc(N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000078619474 132377333 /nfs/dbraw/zinc/37/73/33/132377333.db2.gz UHTHTWCJQOPTIN-LJQANCHMSA-N 0 0 361.272 4.815 20 30 FJEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1(c2ccccc2)CC1 ZINC000106115913 222381907 /nfs/dbraw/zinc/38/19/07/222381907.db2.gz QKMPTDFQYMWECF-UHFFFAOYSA-N 0 0 369.424 4.724 20 30 FJEDRN CCc1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)sc1C ZINC000107567624 222397421 /nfs/dbraw/zinc/39/74/21/222397421.db2.gz AHLRFNBETRKEAI-UHFFFAOYSA-N 0 0 368.380 4.684 20 30 FJEDRN Cc1ccc2cc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)[nH]c2c1 ZINC000107589493 222397455 /nfs/dbraw/zinc/39/74/55/222397455.db2.gz IFPFKPOCGNIMMM-UHFFFAOYSA-N 0 0 373.334 4.541 20 30 FJEDRN N#Cc1ccc2c(c1)[C@H](NCc1csc(CCc3ccccc3)n1)CC2 ZINC000568071573 567835565 /nfs/dbraw/zinc/83/55/65/567835565.db2.gz LXLDLNBWMJELLK-OAQYLSRUSA-N 0 0 359.498 4.577 20 30 FJEDRN C=CC[C@H](C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1 ZINC000188514655 567846463 /nfs/dbraw/zinc/84/64/63/567846463.db2.gz SIBTXZARJQVOJJ-IBGZPJMESA-N 0 0 359.429 4.912 20 30 FJEDRN Cc1nc(CSc2ccc(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)cc2)cs1 ZINC000601819420 567847601 /nfs/dbraw/zinc/84/76/01/567847601.db2.gz OKZWVDUGOHZMNI-QAPCUYQASA-N 0 0 371.531 4.508 20 30 FJEDRN N#Cc1cnc2c(F)c(F)c(F)cc2c1Oc1cccc(-n2ccnc2)c1 ZINC000568097167 567879418 /nfs/dbraw/zinc/87/94/18/567879418.db2.gz NTCNEQRCTKHGGT-UHFFFAOYSA-N 0 0 366.302 4.502 20 30 FJEDRN C[C@H](c1ccco1)N(C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC1 ZINC000120355692 567892285 /nfs/dbraw/zinc/89/22/85/567892285.db2.gz VQXVKGAMUVGTAM-LLVKDONJSA-N 0 0 361.348 4.510 20 30 FJEDRN C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000602160378 567945442 /nfs/dbraw/zinc/94/54/42/567945442.db2.gz PEBDJZAEQJNIDK-HZPDHXFCSA-N 0 0 366.486 4.786 20 30 FJEDRN C[C@@H](CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1 ZINC000602163589 567945905 /nfs/dbraw/zinc/94/59/05/567945905.db2.gz MSCQMOFRFZONPT-JXFKEZNVSA-N 0 0 362.473 4.574 20 30 FJEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H](C)C(=O)c1ccccc1 ZINC000602164213 567946182 /nfs/dbraw/zinc/94/61/82/567946182.db2.gz WOZSCLSSGQFIMW-JKSUJKDBSA-N 0 0 366.486 4.928 20 30 FJEDRN C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1OC(F)(F)F ZINC000062380158 567950354 /nfs/dbraw/zinc/95/03/54/567950354.db2.gz XRYQHLNLBLJMRI-UHFFFAOYSA-N 0 0 364.367 4.848 20 30 FJEDRN Cc1nc(C)c(C(=O)N(Cc2ccccc2)c2cc(Cl)ccc2C#N)o1 ZINC000481455774 567956451 /nfs/dbraw/zinc/95/64/51/567956451.db2.gz TVVAFXXLWSACGK-UHFFFAOYSA-N 0 0 365.820 4.664 20 30 FJEDRN Cc1ccc(Cc2cnc(NC(=O)C3(C#N)CCCC3)s2)cc1Cl ZINC000602243951 567958959 /nfs/dbraw/zinc/95/89/59/567958959.db2.gz UNTLTANTHOESIZ-UHFFFAOYSA-N 0 0 359.882 4.718 20 30 FJEDRN C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(COCc2ccco2)c1 ZINC000602483149 567985013 /nfs/dbraw/zinc/98/50/13/567985013.db2.gz GQRSESUJFSMCQR-KRWDZBQOSA-N 0 0 354.450 4.507 20 30 FJEDRN CC(C)C[C@H](C)n1nccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000481485728 567990004 /nfs/dbraw/zinc/99/00/04/567990004.db2.gz WTXNWISTNONVMT-INIZCTEOSA-N 0 0 365.481 4.558 20 30 FJEDRN CCC(C)(C)OCc1cccc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1C ZINC000602879416 568003809 /nfs/dbraw/zinc/00/38/09/568003809.db2.gz DFSJALFQVHUYBA-APWZRJJASA-N 0 0 357.498 4.856 20 30 FJEDRN CC(C)c1scnc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000568325099 568024788 /nfs/dbraw/zinc/02/47/88/568024788.db2.gz LSCJFASSRNHAQO-UHFFFAOYSA-N 0 0 367.430 4.562 20 30 FJEDRN CC(C)CC1(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000568334238 568025985 /nfs/dbraw/zinc/02/59/85/568025985.db2.gz VNDNKEKVWRSLJR-UHFFFAOYSA-N 0 0 364.449 4.693 20 30 FJEDRN CC(C)(C)c1ccc(CC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1 ZINC000481542641 568033897 /nfs/dbraw/zinc/03/38/97/568033897.db2.gz WGZRUOPJFFYTQJ-UHFFFAOYSA-N 0 0 358.388 4.638 20 30 FJEDRN CN(C(=O)Nc1ccccc1COCc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602798369 568035936 /nfs/dbraw/zinc/03/59/36/568035936.db2.gz QBAQSQRBIKRHNH-NQIIRXRSSA-N 0 0 363.461 4.559 20 30 FJEDRN Cc1cc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)ccc1C#N ZINC000568539560 568048672 /nfs/dbraw/zinc/04/86/72/568048672.db2.gz DVQKUGBVUBNPTH-GOSISDBHSA-N 0 0 361.489 4.802 20 30 FJEDRN N#Cc1ccnc(N2CCC[C@H]2c2cccc(Br)c2)c1Cl ZINC000568545387 568050222 /nfs/dbraw/zinc/05/02/22/568050222.db2.gz LAAKNCLDSGNUQP-AWEZNQCLSA-N 0 0 362.658 4.711 20 30 FJEDRN CCOc1ccc(-c2nc(C(=O)Nc3scc(C)c3C#N)cs2)cc1 ZINC000568558996 568051482 /nfs/dbraw/zinc/05/14/82/568051482.db2.gz OKABPDJPLMPFPE-UHFFFAOYSA-N 0 0 369.471 4.703 20 30 FJEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000065507654 568054662 /nfs/dbraw/zinc/05/46/62/568054662.db2.gz ALDXAVZXQDNFDT-HOTGVXAUSA-N 0 0 364.873 4.794 20 30 FJEDRN N#Cc1cc(C(F)(F)F)ccc1NCc1nc2ccccc2n1C1CC1 ZINC000568573410 568058431 /nfs/dbraw/zinc/05/84/31/568058431.db2.gz DUWSUEYYSOMTSG-UHFFFAOYSA-N 0 0 356.351 4.874 20 30 FJEDRN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481591690 568063456 /nfs/dbraw/zinc/06/34/56/568063456.db2.gz AFBIFFLCFYZGRJ-NSHDSACASA-N 0 0 365.330 4.941 20 30 FJEDRN CC[C@@H](C)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481596794 568064127 /nfs/dbraw/zinc/06/41/27/568064127.db2.gz MAZRKBJHGCUPJW-CQSZACIVSA-N 0 0 355.413 4.539 20 30 FJEDRN CCCCOc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)c(C)c1 ZINC000128594382 568066975 /nfs/dbraw/zinc/06/69/75/568066975.db2.gz XPGITYHVCLEGOW-UHFFFAOYSA-N 0 0 351.450 4.710 20 30 FJEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000066802065 568070955 /nfs/dbraw/zinc/07/09/55/568070955.db2.gz BRAATYBDKKXMNO-KBRIMQKVSA-N 0 0 354.450 4.962 20 30 FJEDRN CCC(CC)CN(CCC#N)C(=O)c1csc(Cc2ccccc2F)n1 ZINC000522761826 568077033 /nfs/dbraw/zinc/07/70/33/568077033.db2.gz SGZBQRROLZADFV-UHFFFAOYSA-N 0 0 373.497 4.665 20 30 FJEDRN N#Cc1cc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)ccc1Cl ZINC000541891065 568080430 /nfs/dbraw/zinc/08/04/30/568080430.db2.gz KMYCIWJJQHOTBV-UHFFFAOYSA-N 0 0 357.143 4.719 20 30 FJEDRN C=CCN(Cc1ccccc1F)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000605990681 568085069 /nfs/dbraw/zinc/08/50/69/568085069.db2.gz RVPJGUTUJXDCPK-OAQYLSRUSA-N 0 0 352.453 4.545 20 30 FJEDRN CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568612581 568087621 /nfs/dbraw/zinc/08/76/21/568087621.db2.gz STGIADDXZBNEMW-QGZVFWFLSA-N 0 0 357.841 4.835 20 30 FJEDRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481713852 568093741 /nfs/dbraw/zinc/09/37/41/568093741.db2.gz RGHBPDLVYSAVBE-UHFFFAOYSA-N 0 0 352.196 4.668 20 30 FJEDRN 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N#Cc1ccc(SCc2noc(-c3cccs3)n2)cc1C(F)(F)F ZINC000542002476 568381654 /nfs/dbraw/zinc/38/16/54/568381654.db2.gz ADYXIIZGTYILAD-UHFFFAOYSA-N 0 0 367.377 4.981 20 30 FJEDRN C=CCN(Cc1ccn(C(C)C)n1)Cc1cc(Br)ccc1F ZINC000604884911 568384649 /nfs/dbraw/zinc/38/46/49/568384649.db2.gz ROMXAHZKCHCRKT-UHFFFAOYSA-N 0 0 366.278 4.554 20 30 FJEDRN N#Cc1cccc(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)c1 ZINC000609488421 568386542 /nfs/dbraw/zinc/38/65/42/568386542.db2.gz ILJLQLSTGCIBAQ-UHFFFAOYSA-N 0 0 373.481 4.702 20 30 FJEDRN C=CC[C@H](C)NC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000604896252 568387336 /nfs/dbraw/zinc/38/73/36/568387336.db2.gz ODKODWKUENWUGF-BLLLJJGKSA-N 0 0 351.288 4.554 20 30 FJEDRN C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000604898277 568387711 /nfs/dbraw/zinc/38/77/11/568387711.db2.gz MXFXGWNOKOZZCD-HZPDHXFCSA-N 0 0 356.441 4.730 20 30 FJEDRN C[C@@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541999724 568394072 /nfs/dbraw/zinc/39/40/72/568394072.db2.gz 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N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000481992193 568215982 /nfs/dbraw/zinc/21/59/82/568215982.db2.gz QNERQYUWPFQCRI-RTWAWAEBSA-N 0 0 350.437 4.968 20 30 FJEDRN CCOCCOCc1cccc(N[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481998328 568219852 /nfs/dbraw/zinc/21/98/52/568219852.db2.gz KLDOLTKVWCUNED-QHCPKHFHSA-N 0 0 364.489 4.991 20 30 FJEDRN CC(C)C(=O)Nc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000568817130 568230851 /nfs/dbraw/zinc/23/08/51/568230851.db2.gz ARGMPPDIYCFUEI-UHFFFAOYSA-N 0 0 361.367 4.784 20 30 FJEDRN N#Cc1cc(Cl)ccc1NCc1cccc(COCC(F)(F)F)c1 ZINC000301796664 568233681 /nfs/dbraw/zinc/23/36/81/568233681.db2.gz QQKLKTCDSFBIHK-UHFFFAOYSA-N 0 0 354.759 4.903 20 30 FJEDRN N#Cc1ccc(OCc2cccc(Br)c2OC(F)F)cc1 ZINC000541932798 568245514 /nfs/dbraw/zinc/24/55/14/568245514.db2.gz WZHVKFCQEAOUBJ-UHFFFAOYSA-N 0 0 354.150 4.501 20 30 FJEDRN C=CCCO[C@@H](C)C(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000303073144 568252006 /nfs/dbraw/zinc/25/20/06/568252006.db2.gz 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CC(=O)c1cccc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1 ZINC000303577037 568293168 /nfs/dbraw/zinc/29/31/68/568293168.db2.gz CUGOBSGGKKTTQO-UHFFFAOYSA-N 0 0 370.408 4.592 20 30 FJEDRN Cc1ccc(OCc2ccc(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)o2)c(C)c1 ZINC000303602716 568294506 /nfs/dbraw/zinc/29/45/06/568294506.db2.gz AHRVCGQJKAOVKL-AOMKIAJQSA-N 0 0 366.461 4.678 20 30 FJEDRN N#CCCN(C(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000604455779 568294833 /nfs/dbraw/zinc/29/48/33/568294833.db2.gz NLKRUEUXUPJZOT-UHFFFAOYSA-N 0 0 374.415 4.965 20 30 FJEDRN CCOc1ccc(C#N)cc1NCc1cc(-c2ccncc2)ccc1OC ZINC000482161722 568297658 /nfs/dbraw/zinc/29/76/58/568297658.db2.gz FPFKRLSUKXPZPZ-UHFFFAOYSA-N 0 0 359.429 4.640 20 30 FJEDRN N#C[C@@H](Cc1ccccc1)Sc1nnc(-c2cccs2)n1C1CC1 ZINC000604474560 568299088 /nfs/dbraw/zinc/29/90/88/568299088.db2.gz COQBHRJTEGOQBV-OAHLLOKOSA-N 0 0 352.488 4.568 20 30 FJEDRN CCCOc1cccc(C(=O)N(Cc2ccco2)c2ccccc2C#N)c1 ZINC000482163238 568299488 /nfs/dbraw/zinc/29/94/88/568299488.db2.gz 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ZINC000120651117 568065576 /nfs/dbraw/zinc/06/55/76/568065576.db2.gz CTWWNMMWXCQWFK-UHFFFAOYSA-N 0 0 371.535 4.572 20 30 FJEDRN Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N(CCC#N)Cc1ccco1 ZINC000603167031 568070394 /nfs/dbraw/zinc/07/03/94/568070394.db2.gz YFZZZAIOFKOTGH-UHFFFAOYSA-N 0 0 365.355 4.863 20 30 FJEDRN N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@H]1CCCOCC1 ZINC000568589690 568076956 /nfs/dbraw/zinc/07/69/56/568076956.db2.gz ANHHFDHLIKIOKH-KRWDZBQOSA-N 0 0 368.864 4.562 20 30 FJEDRN C=CCN(Cc1cccs1)C(=O)Nc1ccc(NC(C)=O)cc1Cl ZINC000067575611 568079035 /nfs/dbraw/zinc/07/90/35/568079035.db2.gz DOBMVQFNFPNJCV-UHFFFAOYSA-N 0 0 363.870 4.580 20 30 FJEDRN C=CCN(Cc1ccccc1F)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000605990675 568085070 /nfs/dbraw/zinc/08/50/70/568085070.db2.gz RVPJGUTUJXDCPK-NRFANRHFSA-N 0 0 352.453 4.545 20 30 FJEDRN COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481676786 568085767 /nfs/dbraw/zinc/08/57/67/568085767.db2.gz ZMQUDTWXCPNHHE-LJQANCHMSA-N 0 0 372.415 4.726 20 30 FJEDRN CCCCN(CC)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481738180 568099884 /nfs/dbraw/zinc/09/98/84/568099884.db2.gz FUTUFPUGGNIHMV-UHFFFAOYSA-N 0 0 369.440 4.930 20 30 FJEDRN Cc1csc(NC(=O)c2csc(Cc3ccc(C)cc3)n2)c1C#N ZINC000568641397 568103726 /nfs/dbraw/zinc/10/37/26/568103726.db2.gz KRGPGOLMIPUYGM-UHFFFAOYSA-N 0 0 353.472 4.536 20 30 FJEDRN C=CCN(C(=O)C(CC)CC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000603458941 568104685 /nfs/dbraw/zinc/10/46/85/568104685.db2.gz QYNRDQSVHDNMGY-UHFFFAOYSA-N 0 0 359.451 4.674 20 30 FJEDRN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2ccc(F)c(C#N)c2)C2CC2)o1 ZINC000481747768 568107222 /nfs/dbraw/zinc/10/72/22/568107222.db2.gz XBEZSRKCSBKPDB-PXAZEXFGSA-N 0 0 353.397 4.610 20 30 FJEDRN N#Cc1ccccc1N(Cc1ccco1)C(=O)Cc1coc2cc(F)ccc12 ZINC000481750980 568108281 /nfs/dbraw/zinc/10/82/81/568108281.db2.gz ZXBDDDYMOFVROY-UHFFFAOYSA-N 0 0 374.371 4.812 20 30 FJEDRN C=C(C)CN(CC)C(=O)[C@H](C)SCc1csc(-c2ccc(C)o2)n1 ZINC000603632674 568128218 /nfs/dbraw/zinc/12/82/18/568128218.db2.gz 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568160620 /nfs/dbraw/zinc/16/06/20/568160620.db2.gz YNKHRSHLFXWEFJ-SFHVURJKSA-N 0 0 363.848 4.895 20 30 FJEDRN Cc1ccc(-n2ncc(NC(=O)c3cccc(F)c3C#N)c2C(C)C)cc1 ZINC000481856300 568162676 /nfs/dbraw/zinc/16/26/76/568162676.db2.gz FIYCJKKGBHFPIW-UHFFFAOYSA-N 0 0 362.408 4.567 20 30 FJEDRN C[C@@H](CCc1ccco1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000481908155 568178042 /nfs/dbraw/zinc/17/80/42/568178042.db2.gz SLVZGTXFNRLLDS-INIZCTEOSA-N 0 0 360.413 4.695 20 30 FJEDRN CCN(CCC#N)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000603900395 568179894 /nfs/dbraw/zinc/17/98/94/568179894.db2.gz GEQBITVQWMVBIW-HXUWFJFHSA-N 0 0 372.921 4.925 20 30 FJEDRN CCc1ccc([C@H](C)NC(=O)c2sc([C@H]3CCCOC3)nc2C)cc1 ZINC000330299251 568191909 /nfs/dbraw/zinc/19/19/09/568191909.db2.gz HXBXDIJHEGLBJU-GUYCJALGSA-N 0 0 358.507 4.974 20 30 FJEDRN N#Cc1ccc(Oc2cccc(C(=O)NCCSc3ccccc3)c2)cc1 ZINC000481951600 568195536 /nfs/dbraw/zinc/19/55/36/568195536.db2.gz JFLXHKFOOPACSV-UHFFFAOYSA-N 0 0 374.465 4.873 20 30 FJEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](c1ccccc1)C(F)F ZINC000481943402 568197844 /nfs/dbraw/zinc/19/78/44/568197844.db2.gz MUJKJOSBCJVFLH-MRXNPFEDSA-N 0 0 356.397 4.818 20 30 FJEDRN Cc1ccc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1[N+](=O)[O-] ZINC000481965261 568200126 /nfs/dbraw/zinc/20/01/26/568200126.db2.gz GHIGWXDVZNRNQT-UHFFFAOYSA-N 0 0 373.368 4.820 20 30 FJEDRN Cc1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)cc1[NH+]=C([O-])Nc1ccccc1 ZINC000330304904 568208857 /nfs/dbraw/zinc/20/88/57/568208857.db2.gz KRGVBUVYONBYLD-UZLBHIALSA-N 0 0 363.461 4.667 20 30 FJEDRN C=CCOc1cccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2C)c1 ZINC000604096703 568212276 /nfs/dbraw/zinc/21/22/76/568212276.db2.gz AEUKYSPPGDCTHJ-HXUWFJFHSA-N 0 0 350.462 4.799 20 30 FJEDRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000327538295 568216110 /nfs/dbraw/zinc/21/61/10/568216110.db2.gz HSTRGDZUXVYTLY-JTQLQIEISA-N 0 0 368.742 4.636 20 30 FJEDRN COCCCOc1ccccc1N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000481997547 568219476 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CCc1c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccn1C ZINC000568805906 568229072 /nfs/dbraw/zinc/22/90/72/568229072.db2.gz GJQYCXUYRGETIK-MRXNPFEDSA-N 0 0 357.457 4.617 20 30 FJEDRN C=CCc1ccc(OCC(=O)Nc2ccccc2OC(C)(C)C)c(OC)c1 ZINC000604302528 568242602 /nfs/dbraw/zinc/24/26/02/568242602.db2.gz SNJTVEFHFRATIK-UHFFFAOYSA-N 0 0 369.461 4.619 20 30 FJEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc2ccccc2c(OC)n1 ZINC000302987991 568246187 /nfs/dbraw/zinc/24/61/87/568246187.db2.gz GKENFNCWXITECH-UHFFFAOYSA-N 0 0 372.877 4.787 20 30 FJEDRN CCCN(Cc1nc(C#N)cs1)[C@H](C)c1ccccc1Br ZINC000584693476 568251690 /nfs/dbraw/zinc/25/16/90/568251690.db2.gz WZWXCZPJPOVGLU-GFCCVEGCSA-N 0 0 364.312 4.750 20 30 FJEDRN Cc1ncccc1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000568908643 568251818 /nfs/dbraw/zinc/25/18/18/568251818.db2.gz TWOOTXZAJZOTIQ-HNNXBMFYSA-N 0 0 367.518 4.655 20 30 FJEDRN N#Cc1ccc(SCC(=O)NC2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000541933201 568252894 /nfs/dbraw/zinc/25/28/94/568252894.db2.gz MNIYVDRUYJLFQS-UHFFFAOYSA-N 0 0 368.477 4.632 20 30 FJEDRN COC1(c2noc(-c3ccc(Oc4ccc(C#N)cc4C)cc3)n2)CCC1 ZINC000568926635 568253108 /nfs/dbraw/zinc/25/31/08/568253108.db2.gz DOXXTDJDUDSWJC-UHFFFAOYSA-N 0 0 361.401 4.735 20 30 FJEDRN C=CCCO[C@@H](C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000303167975 568254448 /nfs/dbraw/zinc/25/44/48/568254448.db2.gz QQOWRYUTTCQLAI-BBRMVZONSA-N 0 0 357.416 4.890 20 30 FJEDRN N#C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1cccc(Cl)c1Cl ZINC000303377733 568269108 /nfs/dbraw/zinc/26/91/08/568269108.db2.gz LUYPADHKFQEFBI-ZDUSSCGKSA-N 0 0 365.285 4.928 20 30 FJEDRN Cc1ccc2cc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)[nH]c2c1 ZINC000303382267 568273087 /nfs/dbraw/zinc/27/30/87/568273087.db2.gz MVDCHWSWDQXWTB-MRXNPFEDSA-N 0 0 358.228 4.778 20 30 FJEDRN CCOc1ccccc1Oc1ccccc1C(=O)NCc1cccc(C#N)c1 ZINC000482113002 568275585 /nfs/dbraw/zinc/27/55/85/568275585.db2.gz IMEBMJPZRSCGHN-UHFFFAOYSA-N 0 0 372.424 4.679 20 30 FJEDRN N#Cc1cccc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)c1 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