smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(CCN1CCc2ccccc21)Cc1ccc(OC)cc1 ZINC001167116847 1013188100 /nfs/dbraw/zinc/18/81/00/1013188100.db2.gz WGYPDIOWQJPUET-UHFFFAOYSA-N 0 3 322.452 3.746 20 30 DHEDHN Clc1ccc(C#CCN2CCC[C@]3(CCCOC3)C2)cc1 ZINC000426450051 1013234563 /nfs/dbraw/zinc/23/45/63/1013234563.db2.gz WKAXVYZGTCIHHP-SFHVURJKSA-N 0 3 303.833 3.584 20 30 DHEDHN COc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000018030265 1013280443 /nfs/dbraw/zinc/28/04/43/1013280443.db2.gz NKLPOZMSDNOLGP-ZDUSSCGKSA-N 0 3 308.362 3.795 20 30 DHEDHN C=CCN1CCC(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000519274737 1013300169 /nfs/dbraw/zinc/30/01/69/1013300169.db2.gz NKHHPKJDGNQCOY-CVEARBPZSA-N 0 3 306.494 3.606 20 30 DHEDHN C#CCOc1ccccc1CN[C@@H](CC)c1ccc(OC)cc1 ZINC000319943109 1013387521 /nfs/dbraw/zinc/38/75/21/1013387521.db2.gz BOERYFOYNXPDHI-IBGZPJMESA-N 0 3 309.409 3.948 20 30 DHEDHN C=C(C)COCCN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000090450907 1013455673 /nfs/dbraw/zinc/45/56/73/1013455673.db2.gz YGSCCQODVZRIBV-OAHLLOKOSA-N 0 3 317.351 3.575 20 30 DHEDHN C#Cc1ccc(Nc2ccc(CN3CCN(CC)CC3)cc2)cc1 ZINC001210114812 1013551733 /nfs/dbraw/zinc/55/17/33/1013551733.db2.gz MVFDHXLZTVMTFR-UHFFFAOYSA-N 0 3 319.452 3.549 20 30 DHEDHN C#C[C@H](N[C@@H]1CCO[C@H](CC)C1)c1ccc(Br)cc1 ZINC000894870932 1013572468 /nfs/dbraw/zinc/57/24/68/1013572468.db2.gz QDVYXTPTPXHCQQ-OAGGEKHMSA-N 0 3 322.246 3.671 20 30 DHEDHN C#C[C@H](N[C@@H]1CCO[C@@H](CC)C1)c1ccc(Br)cc1 ZINC000894870933 1013572939 /nfs/dbraw/zinc/57/29/39/1013572939.db2.gz QDVYXTPTPXHCQQ-PMPSAXMXSA-N 0 3 322.246 3.671 20 30 DHEDHN COCC#CCN[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000683524312 1013589418 /nfs/dbraw/zinc/58/94/18/1013589418.db2.gz FZRHDAQBQFGFTJ-KRWDZBQOSA-N 0 3 309.409 3.566 20 30 DHEDHN N#Cc1ccc(F)c(CN(C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000441434365 1013828040 /nfs/dbraw/zinc/82/80/40/1013828040.db2.gz JNNLKJMSEJNXBS-KRWDZBQOSA-N 0 3 302.393 3.621 20 30 DHEDHN CCN1CCC[C@@H](NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1 ZINC000330503175 1013822383 /nfs/dbraw/zinc/82/23/83/1013822383.db2.gz DRADUWZYPJAVSO-CQSZACIVSA-N 0 3 320.481 3.550 20 30 DHEDHN C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)c1cccc(C#N)c1 ZINC000610318994 1013895207 /nfs/dbraw/zinc/89/52/07/1013895207.db2.gz CQVWKAIJHKWVAF-CQSZACIVSA-N 0 3 322.412 3.503 20 30 DHEDHN CC1(C)[C@@H](c2cccc(F)c2)CCN1Cc1cncc(C#N)c1 ZINC000931257457 1032082844 /nfs/dbraw/zinc/08/28/44/1032082844.db2.gz RBERFEAZHKYVEO-GOSISDBHSA-N 0 3 309.388 3.860 20 30 DHEDHN N#Cc1cccc(CNCc2cccc(OCC(F)(F)F)c2)c1 ZINC000077170658 1014344359 /nfs/dbraw/zinc/34/43/59/1014344359.db2.gz DBZVESWFKOGIRL-UHFFFAOYSA-N 0 3 320.314 3.789 20 30 DHEDHN Cc1cc(CNCc2ccc(CC#N)cc2)c2c(n1)CCCC2 ZINC000895091025 1014376985 /nfs/dbraw/zinc/37/69/85/1014376985.db2.gz RIBZWPDSOLZLQU-UHFFFAOYSA-N 0 3 305.425 3.625 20 30 DHEDHN COc1cc(CN2CC[C@H](c3cccc(F)c3)C2)ccc1C#N ZINC000442882815 1014759768 /nfs/dbraw/zinc/75/97/68/1014759768.db2.gz FZZFXCMPUQVBIH-KRWDZBQOSA-N 0 3 310.372 3.695 20 30 DHEDHN COc1cc(CN2CCC[C@H](Nc3ccccc3)C2)ccc1C#N ZINC000442888727 1014762353 /nfs/dbraw/zinc/76/23/53/1014762353.db2.gz HKDRHQJDQDXYHC-IBGZPJMESA-N 0 3 321.424 3.643 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](CC)c1ccc(C)cc1 ZINC000341035043 1014834587 /nfs/dbraw/zinc/83/45/87/1014834587.db2.gz IGYBCXVYBMIWCJ-AEFFLSMTSA-N 0 3 300.446 3.625 20 30 DHEDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2OC)C1 ZINC000121091570 1014924090 /nfs/dbraw/zinc/92/40/90/1014924090.db2.gz WUNUCZVMFSQULC-HOTGVXAUSA-N 0 3 304.459 3.673 20 30 DHEDHN N#Cc1ccc(CN(CCc2cccc(F)c2)C2CC2)s1 ZINC000126742173 1015158753 /nfs/dbraw/zinc/15/87/53/1015158753.db2.gz BKKWLUKZYOPCDC-UHFFFAOYSA-N 0 3 300.402 3.966 20 30 DHEDHN C=CCC[C@H](NC[C@H](O)c1cccc(OC)c1)c1ccco1 ZINC000276511284 1015242102 /nfs/dbraw/zinc/24/21/02/1015242102.db2.gz ZIMAWMSDWFRTRZ-IRXDYDNUSA-N 0 3 301.386 3.619 20 30 DHEDHN CN(C1CCCC1)C(C)(C)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000754879256 1015618531 /nfs/dbraw/zinc/61/85/31/1015618531.db2.gz OXSSCMDFEPAEFJ-MRXNPFEDSA-N 0 3 306.450 3.655 20 30 DHEDHN N#Cc1cc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)cs1 ZINC000891870330 1015699594 /nfs/dbraw/zinc/69/95/94/1015699594.db2.gz SIOZNAZAKDTOER-ZWKOTPCHSA-N 0 3 312.438 3.708 20 30 DHEDHN C[C@H](NC(=O)CNC(=O)CC1CCCCC1)C1=CCN(C)CC1 ZINC000329486319 1015716151 /nfs/dbraw/zinc/71/61/51/1015716151.db2.gz GHGBJTOSFXIKLL-AWEZNQCLSA-N 0 3 321.465 3.520 20 30 DHEDHN C[C@H](CN1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000522663021 1015789099 /nfs/dbraw/zinc/78/90/99/1015789099.db2.gz QYFBTKVAGNSHJT-MRXNPFEDSA-N 0 3 323.415 3.623 20 30 DHEDHN C=CC[C@H](CO)CN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000341890294 1015814501 /nfs/dbraw/zinc/81/45/01/1015814501.db2.gz UKWUYSGVCXHYJP-KGLIPLIRSA-N 0 3 302.443 3.645 20 30 DHEDHN COc1cccc([C@H](C/N=C/c2ccccc2O)N2CCCC2)c1 ZINC000022768874 1015820098 /nfs/dbraw/zinc/82/00/98/1015820098.db2.gz VIHYBPGACQAIDE-ORTNRGLGSA-N 0 3 324.424 3.657 20 30 DHEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000342022262 1015872634 /nfs/dbraw/zinc/87/26/34/1015872634.db2.gz JTMWYVFKOXZALP-AWEZNQCLSA-N 0 3 310.397 3.735 20 30 DHEDHN COCCOc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000610829965 1015879029 /nfs/dbraw/zinc/87/90/29/1015879029.db2.gz UNQLGJJDBWNNIB-JKSUJKDBSA-N 0 3 324.424 3.995 20 30 DHEDHN COc1ccc([C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC000119475701 1016097126 /nfs/dbraw/zinc/09/71/26/1016097126.db2.gz ITODLIKKCKPXCP-MRXNPFEDSA-N 0 3 310.372 3.695 20 30 DHEDHN N#CCC1(CN[C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000926343170 1016177913 /nfs/dbraw/zinc/17/79/13/1016177913.db2.gz DLJFTDIOMRIJIB-CQSZACIVSA-N 0 3 320.234 3.505 20 30 DHEDHN Cc1cc(C)c(C#N)c(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000071952811 1016269051 /nfs/dbraw/zinc/26/90/51/1016269051.db2.gz OXMWLZFSKDOOMH-GOSISDBHSA-N 0 3 320.440 3.647 20 30 DHEDHN COc1ccc(CN(C)CCC(C)(C)C#N)cc1OC(F)F ZINC000157631153 1016288517 /nfs/dbraw/zinc/28/85/17/1016288517.db2.gz BBUUERYUTWSPOW-UHFFFAOYSA-N 0 3 312.360 3.668 20 30 DHEDHN C=CCc1cc(CNCc2cccc3cc[nH]c32)cc(OC)c1O ZINC000342347478 1016297828 /nfs/dbraw/zinc/29/78/28/1016297828.db2.gz NKNMITMMHVYXHX-UHFFFAOYSA-N 0 3 322.408 3.900 20 30 DHEDHN C[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1cccc(C#N)c1 ZINC000342429154 1016413749 /nfs/dbraw/zinc/41/37/49/1016413749.db2.gz FSJBXODSQMKNSB-HNNXBMFYSA-N 0 3 316.408 3.810 20 30 DHEDHN CC[C@H](NCCCOc1cccc(C#N)c1)c1nccs1 ZINC000185067739 1016531564 /nfs/dbraw/zinc/53/15/64/1016531564.db2.gz AYUPJQDYUUQQEI-HNNXBMFYSA-N 0 3 301.415 3.525 20 30 DHEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)Cc1ccsc1 ZINC000582268656 1016544697 /nfs/dbraw/zinc/54/46/97/1016544697.db2.gz YDJSZZWWDMIEPR-AWEZNQCLSA-N 0 3 305.443 3.843 20 30 DHEDHN C=CCC[C@H](NCc1n[nH]c(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000428323979 1016617676 /nfs/dbraw/zinc/61/76/76/1016617676.db2.gz KEIAGLQNGHRALT-AWEZNQCLSA-N 0 3 324.350 3.929 20 30 DHEDHN CCOc1cccc([C@H](C)NCc2ccc(C#N)c(OC)c2)c1 ZINC000281807263 1016743933 /nfs/dbraw/zinc/74/39/33/1016743933.db2.gz VTFNXYMZOIHPEX-AWEZNQCLSA-N 0 3 310.397 3.816 20 30 DHEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CC[C@H]1CCCO1 ZINC000342568697 1016780567 /nfs/dbraw/zinc/78/05/67/1016780567.db2.gz MGXXHTQLGCYVAB-MRXNPFEDSA-N 0 3 311.347 3.558 20 30 DHEDHN N#CC(C(=O)C1Cc2ccccc2C1)c1ccc2ccccc2n1 ZINC000763927509 1017020843 /nfs/dbraw/zinc/02/08/43/1017020843.db2.gz KWQFDPKZLYGUCL-SFHVURJKSA-N 0 3 312.372 3.826 20 30 DHEDHN CC[C@H](CC#N)NCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846981327 1032165114 /nfs/dbraw/zinc/16/51/14/1032165114.db2.gz LEWVWCPELSNPLO-MRXNPFEDSA-N 0 3 323.481 3.696 20 30 DHEDHN C[C@H](NCc1cc(C#N)cs1)c1ccccc1-n1cccn1 ZINC000151816865 1017241759 /nfs/dbraw/zinc/24/17/59/1017241759.db2.gz IARWKZRQKCJENZ-ZDUSSCGKSA-N 0 3 308.410 3.656 20 30 DHEDHN CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)C ZINC000847025990 1032185251 /nfs/dbraw/zinc/18/52/51/1032185251.db2.gz KOYYFLBWOPOHJE-ZDUSSCGKSA-N 0 3 315.442 3.593 20 30 DHEDHN Cc1c2ccccc2n(C)c1CNCc1ccc(C#N)c(C)c1 ZINC000475200198 1017078440 /nfs/dbraw/zinc/07/84/40/1017078440.db2.gz BQWKASODNFJXKC-UHFFFAOYSA-N 0 3 303.409 3.957 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cnccc2C)c1 ZINC000772983078 1032336297 /nfs/dbraw/zinc/33/62/97/1032336297.db2.gz JCMVTKURJJXEER-RDJZCZTQSA-N 0 3 309.413 3.922 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000073012070 1017090092 /nfs/dbraw/zinc/09/00/92/1017090092.db2.gz DSGLNXADHNUEIQ-SFHVURJKSA-N 0 3 322.408 3.592 20 30 DHEDHN C[C@H]1SCCN(Cc2cccc(OCCCC#N)c2)[C@@H]1C ZINC000093500314 1032541350 /nfs/dbraw/zinc/54/13/50/1032541350.db2.gz DEVUFLPVRYKPGN-HUUCEWRRSA-N 0 3 304.459 3.695 20 30 DHEDHN COc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1C#N ZINC000773072743 1032547283 /nfs/dbraw/zinc/54/72/83/1032547283.db2.gz BIWOBWJBLCDBBV-KRWDZBQOSA-N 0 3 312.800 3.997 20 30 DHEDHN C#CC[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000773117900 1032563395 /nfs/dbraw/zinc/56/33/95/1032563395.db2.gz YESCJATZVNGAQF-OXQOHEQNSA-N 0 3 316.408 3.683 20 30 DHEDHN CC[C@H](C)Sc1ccc(NC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000424115287 1011907653 /nfs/dbraw/zinc/90/76/53/1011907653.db2.gz VAUJMNYBCZPWAU-DZGCQCFKSA-N 0 3 319.474 3.845 20 30 DHEDHN CC(C)(C)[C@H](CC1CCCCC1)NC(=O)[C@H](N)CCCC#N ZINC000424115987 1011908097 /nfs/dbraw/zinc/90/80/97/1011908097.db2.gz BBYRYAPHEQLZOJ-CVEARBPZSA-N 0 3 307.482 3.509 20 30 DHEDHN CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424115289 1011908662 /nfs/dbraw/zinc/90/86/62/1011908662.db2.gz VAUJMNYBCZPWAU-HIFRSBDPSA-N 0 3 319.474 3.845 20 30 DHEDHN C=CCn1cc(CN[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)nn1 ZINC000424173883 1011927506 /nfs/dbraw/zinc/92/75/06/1011927506.db2.gz QHTZUZOZQMKAQC-KBAYOESNSA-N 0 3 310.445 3.526 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000424607311 1012057711 /nfs/dbraw/zinc/05/77/11/1012057711.db2.gz KQMFNKBIHKSDHD-NVXWUHKLSA-N 0 3 300.446 3.540 20 30 DHEDHN N=C(N[C@H]1CCc2c(F)cccc2C1)c1ccc2ccccc2n1 ZINC001171410164 1032611029 /nfs/dbraw/zinc/61/10/29/1032611029.db2.gz TUXFXRWCIPYOJI-HNNXBMFYSA-N 0 3 319.383 3.637 20 30 DHEDHN N#Cc1ccc2c(c1)CN([C@H]1CCc3c(F)cccc3C1)CC2 ZINC001171421947 1032633486 /nfs/dbraw/zinc/63/34/86/1032633486.db2.gz NGULRKKMTFVTJJ-SFHVURJKSA-N 0 3 306.384 3.613 20 30 DHEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710562 1012504571 /nfs/dbraw/zinc/50/45/71/1012504571.db2.gz UZNRJBCDRGKGGE-AAEUAGOBSA-N 0 3 307.825 3.536 20 30 DHEDHN CCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1F ZINC000515256700 1012592799 /nfs/dbraw/zinc/59/27/99/1012592799.db2.gz DYIHMZYXGHXLRM-GOSISDBHSA-N 0 3 310.372 3.873 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1c1cccc(C)c1 ZINC000515509042 1012645285 /nfs/dbraw/zinc/64/52/85/1012645285.db2.gz PXWMBORRXQOIPN-GOSISDBHSA-N 0 3 300.446 3.557 20 30 DHEDHN Cc1cccc(N2CCN(CCc3ccc(C#N)cc3)CC2)c1C ZINC001208926036 1012828373 /nfs/dbraw/zinc/82/83/73/1012828373.db2.gz FYJBSJQSDYZPAF-UHFFFAOYSA-N 0 3 319.452 3.540 20 30 DHEDHN C=CCC[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000180036034 1017357638 /nfs/dbraw/zinc/35/76/38/1017357638.db2.gz WKKXPEOSOIWGSY-IBGZPJMESA-N 0 3 319.408 3.794 20 30 DHEDHN COc1cc(C#N)ccc1CN(C)CC1(c2ccccc2)CC1 ZINC000444684375 1017614465 /nfs/dbraw/zinc/61/44/65/1017614465.db2.gz JKUCWHMHZCVIRW-UHFFFAOYSA-N 0 3 306.409 3.730 20 30 DHEDHN CN(C)/C=N/c1ccc(NCC2(c3ccccc3)CC2)cc1C#N ZINC001171465844 1032715191 /nfs/dbraw/zinc/71/51/91/1032715191.db2.gz SPLDJRUURMEUPB-HZHRSRAPSA-N 0 3 318.424 3.923 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H]2CCC[C@H](C)C2)CC1 ZINC000523750194 1017783975 /nfs/dbraw/zinc/78/39/75/1017783975.db2.gz VRTXRFAOMMQKLZ-DLBZAZTESA-N 0 3 321.509 3.543 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@@H](CCC(C)C)C(C)(C)C)CC1 ZINC000523775827 1017786478 /nfs/dbraw/zinc/78/64/78/1017786478.db2.gz DWLGIPUMCZMGFO-KRWDZBQOSA-N 0 3 323.525 3.787 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2ccc(CC)c(CC)c2)CC1 ZINC000182764128 1017952560 /nfs/dbraw/zinc/95/25/60/1017952560.db2.gz BOHOWNRQZOKLEU-UHFFFAOYSA-N 0 3 315.461 3.583 20 30 DHEDHN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000027285135 1018054956 /nfs/dbraw/zinc/05/49/56/1018054956.db2.gz OLJOTHHENYALTP-UHFFFAOYSA-N 0 3 319.836 3.805 20 30 DHEDHN C=CCOCCNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000318834699 1018134174 /nfs/dbraw/zinc/13/41/74/1018134174.db2.gz AMRPEENAFFATRM-UHFFFAOYSA-N 0 3 314.410 3.849 20 30 DHEDHN C=CCC(CC=C)C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000675213754 1018305303 /nfs/dbraw/zinc/30/53/03/1018305303.db2.gz GUVRXBMNEYDGPZ-UHFFFAOYSA-N 0 3 312.457 3.882 20 30 DHEDHN C[C@@H](NCc1cccc(Cn2cccn2)c1)c1ccc(C#N)cc1 ZINC000173982267 1018376458 /nfs/dbraw/zinc/37/64/58/1018376458.db2.gz UGTKCUPDAMYKEX-MRXNPFEDSA-N 0 3 316.408 3.654 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(OC(F)F)c(F)c1 ZINC000926488362 1018428935 /nfs/dbraw/zinc/42/89/35/1018428935.db2.gz AQIULRXWOGZDBU-JTQLQIEISA-N 0 3 300.324 3.845 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000765014045 1018448827 /nfs/dbraw/zinc/44/88/27/1018448827.db2.gz VMBOVSAFAMWGCM-ZDUSSCGKSA-N 0 3 319.408 3.639 20 30 DHEDHN Cn1cccc1[C@@H]1CCCCN1CCOc1cccc(C#N)c1 ZINC000175119314 1018501838 /nfs/dbraw/zinc/50/18/38/1018501838.db2.gz QHLHIBSVYKGLKV-IBGZPJMESA-N 0 3 309.413 3.503 20 30 DHEDHN CC[C@@H](NCc1ccc(OCCOC)cc1)c1ccc(C#N)cc1 ZINC000278292627 1018524212 /nfs/dbraw/zinc/52/42/12/1018524212.db2.gz RAVTZUONBFFKTQ-HXUWFJFHSA-N 0 3 324.424 3.824 20 30 DHEDHN CC[C@H](c1ccccc1)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000109479178 1018774233 /nfs/dbraw/zinc/77/42/33/1018774233.db2.gz AAQIUHJIUFYMAR-LJQANCHMSA-N 0 3 323.415 3.971 20 30 DHEDHN CCN(Cc1cccc(C(=O)NC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000072959404 1018795285 /nfs/dbraw/zinc/79/52/85/1018795285.db2.gz IBVFTYYWMSJDOD-HNNXBMFYSA-N 0 3 321.424 3.501 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2)cc1 ZINC000765945598 1018951014 /nfs/dbraw/zinc/95/10/14/1018951014.db2.gz KDHHWSHSHDXAHR-HOTGVXAUSA-N 0 3 311.429 3.888 20 30 DHEDHN CC[C@@H]1C[C@H](CC(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC000781773825 1019095438 /nfs/dbraw/zinc/09/54/38/1019095438.db2.gz VLRVODQIQYIUGP-MGPQQGTHSA-N 0 3 312.369 3.599 20 30 DHEDHN CC(C)Oc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000611390967 1019465836 /nfs/dbraw/zinc/46/58/36/1019465836.db2.gz XRDAIVZGPPFJGU-IBGZPJMESA-N 0 3 321.424 3.908 20 30 DHEDHN Cc1ccsc1[C@@H](CO)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611394667 1019471854 /nfs/dbraw/zinc/47/18/54/1019471854.db2.gz WAZRZZJFJAZJLE-DLBZAZTESA-N 0 3 312.438 3.629 20 30 DHEDHN COc1ccc(CN(Cc2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000264146206 1032861924 /nfs/dbraw/zinc/86/19/24/1032861924.db2.gz PLLIWEUHZZEXQM-UHFFFAOYSA-N 0 3 322.408 3.762 20 30 DHEDHN CN(Cc1ccc(C#N)s1)[C@H]1CCCN(c2ccccc2)C1 ZINC000128282119 1019928145 /nfs/dbraw/zinc/92/81/45/1019928145.db2.gz BBLXXQSSZCNQKC-INIZCTEOSA-N 0 3 311.454 3.721 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000650861770 1019996974 /nfs/dbraw/zinc/99/69/74/1019996974.db2.gz WORXNVRNLSHROF-FQEVSTJZSA-N 0 3 312.457 3.536 20 30 DHEDHN COc1ccc([C@H]2CCCN2Cc2ccc(OCC#N)cc2)cc1 ZINC000264176051 1032867888 /nfs/dbraw/zinc/86/78/88/1032867888.db2.gz WWWQEZIINITPPT-HXUWFJFHSA-N 0 3 322.408 3.935 20 30 DHEDHN CSc1ccc(CNCc2ccc3c(c2)C[C@@H](C)O3)cc1C#N ZINC000922338761 1020019596 /nfs/dbraw/zinc/01/95/96/1020019596.db2.gz RZEQOUQXQWOQOP-CYBMUJFWSA-N 0 3 324.449 3.893 20 30 DHEDHN CN(CCc1ccc(Br)cc1)Cc1ccc(C#N)o1 ZINC000093006345 1020126997 /nfs/dbraw/zinc/12/69/97/1020126997.db2.gz LDVBDGWYTXMZHG-UHFFFAOYSA-N 0 3 319.202 3.588 20 30 DHEDHN CC1(C)CCc2cc(CNCc3ccc(C#N)cc3)ccc2O1 ZINC000731677175 1020137874 /nfs/dbraw/zinc/13/78/74/1020137874.db2.gz LNKRNLBATIQAEX-UHFFFAOYSA-N 0 3 306.409 3.952 20 30 DHEDHN N#Cc1ccc2ncc(CN3CCC[C@]4(CC=CCC4)C3)n2c1 ZINC000093439463 1020151958 /nfs/dbraw/zinc/15/19/58/1020151958.db2.gz FJWAVXMQMLNJQU-LJQANCHMSA-N 0 3 306.413 3.528 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(OC)c(C#N)c2)cc1C ZINC000922672260 1020206676 /nfs/dbraw/zinc/20/66/76/1020206676.db2.gz OYTKWSTVXQWDNI-AWEZNQCLSA-N 0 3 310.397 3.735 20 30 DHEDHN N#CC(C(=O)[C@H]1CCOC2(CCC2)C1)c1ccc2ccccc2n1 ZINC000892425318 1020210831 /nfs/dbraw/zinc/21/08/31/1020210831.db2.gz ABYOEPUONZEVPT-HOTGVXAUSA-N 0 3 320.392 3.760 20 30 DHEDHN COC(=O)[C@H](C)[C@H](NCc1ccc(C#N)cc1C)c1ccccc1 ZINC000186304313 1020228198 /nfs/dbraw/zinc/22/81/98/1020228198.db2.gz SNDUJPBPYNESFF-BEFAXECRSA-N 0 3 322.408 3.507 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(OCC)cc1 ZINC000073738471 1020229663 /nfs/dbraw/zinc/22/96/63/1020229663.db2.gz ZZEGFZSDBANZPP-CVEARBPZSA-N 0 3 318.461 3.549 20 30 DHEDHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000186322979 1020235195 /nfs/dbraw/zinc/23/51/95/1020235195.db2.gz OENSCMCEUAZDIO-MRXNPFEDSA-N 0 3 316.408 3.903 20 30 DHEDHN C=CCc1cc(OC)cc(CN(C)Cc2ccc(F)cc2)c1O ZINC000732443114 1020243713 /nfs/dbraw/zinc/24/37/13/1020243713.db2.gz UXTZRRHHTOHRIJ-UHFFFAOYSA-N 0 3 315.388 3.900 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000330906017 1020248254 /nfs/dbraw/zinc/24/82/54/1020248254.db2.gz BFZHHCVIOJXWSV-RHSMWYFYSA-N 0 3 314.429 3.673 20 30 DHEDHN CC(C)N(Cc1cnn2ccccc12)Cc1ccc(C#N)cc1 ZINC000179319860 1020252618 /nfs/dbraw/zinc/25/26/18/1020252618.db2.gz GEJQZYSCJREUOR-UHFFFAOYSA-N 0 3 304.397 3.617 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2[C@@H](c3ccccc3)C2(F)F)c(F)c1 ZINC000922777057 1020259714 /nfs/dbraw/zinc/25/97/14/1020259714.db2.gz XYWGNXODMXMSOO-NVXWUHKLSA-N 0 3 316.326 3.836 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000331291705 1020261881 /nfs/dbraw/zinc/26/18/81/1020261881.db2.gz WOSCRJUPANCFIL-PBHICJAKSA-N 0 3 314.429 3.673 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CC2CCSCC2)c([O-])c1 ZINC000733205257 1020347914 /nfs/dbraw/zinc/34/79/14/1020347914.db2.gz OXYPKGQNWHZAFJ-QGOAFFKASA-N 0 3 306.475 3.801 20 30 DHEDHN C=CCOc1ccccc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000091960380 1020405274 /nfs/dbraw/zinc/40/52/74/1020405274.db2.gz XOFMRZIUVGSPLH-AEFFLSMTSA-N 0 3 311.429 3.531 20 30 DHEDHN Cc1cccc(C)c1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000255830077 1020405288 /nfs/dbraw/zinc/40/52/88/1020405288.db2.gz GLXCGGDWSPLMOT-UHFFFAOYSA-N 0 3 324.424 3.691 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2n[nH]c3ccccc32)c1 ZINC000733801275 1020445660 /nfs/dbraw/zinc/44/56/60/1020445660.db2.gz UMGHPLHKIPYBHW-HNNXBMFYSA-N 0 3 320.396 3.534 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2[nH]nc3ccccc32)c1 ZINC000733801275 1020445666 /nfs/dbraw/zinc/44/56/66/1020445666.db2.gz UMGHPLHKIPYBHW-HNNXBMFYSA-N 0 3 320.396 3.534 20 30 DHEDHN C=CCN1CCC(NC(=O)C(CC)(CC)c2ccccc2)CC1 ZINC000075198656 1020477381 /nfs/dbraw/zinc/47/73/81/1020477381.db2.gz RABWGLKRTJYXIZ-UHFFFAOYSA-N 0 3 314.473 3.511 20 30 DHEDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000056201684 1020478922 /nfs/dbraw/zinc/47/89/22/1020478922.db2.gz YNAORPOJNPFOCU-CABCVRRESA-N 0 3 307.397 3.545 20 30 DHEDHN C=CCN(Cc1cccc(Br)c1C)[C@@H](C)COC ZINC001171915339 1032916401 /nfs/dbraw/zinc/91/64/01/1032916401.db2.gz CRQVRMCOCHHSFJ-LBPRGKRZSA-N 0 3 312.251 3.780 20 30 DHEDHN COc1ccc2c(c1)CCC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000404577692 1020591937 /nfs/dbraw/zinc/59/19/37/1020591937.db2.gz STWNNBFKQMGEDO-LJQANCHMSA-N 0 3 310.372 3.873 20 30 DHEDHN C=CCN1CC[C@@H](N[C@@H](CC2CCCC2)c2ccccc2)C1=O ZINC000337181268 1032913403 /nfs/dbraw/zinc/91/34/03/1032913403.db2.gz MKOLKAAOMGIVKM-MOPGFXCFSA-N 0 3 312.457 3.685 20 30 DHEDHN N#CC(C(=O)C[C@H]1CCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000734704241 1020647286 /nfs/dbraw/zinc/64/72/86/1020647286.db2.gz NWYVLEJRJOAWPV-GDBMZVCRSA-N 0 3 315.376 3.859 20 30 DHEDHN C#CCOc1ccccc1CNCCOC1CCCCCC1 ZINC000735677563 1020758864 /nfs/dbraw/zinc/75/88/64/1020758864.db2.gz QYWTVXKHIPENIQ-UHFFFAOYSA-N 0 3 301.430 3.528 20 30 DHEDHN N#CCOc1ccc(CNCc2cc(F)cc3cccnc32)cc1 ZINC000177770189 1020792653 /nfs/dbraw/zinc/79/26/53/1020792653.db2.gz OWNQFWMYQVKMCD-UHFFFAOYSA-N 0 3 321.355 3.566 20 30 DHEDHN COCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCCC1 ZINC000177852131 1020823896 /nfs/dbraw/zinc/82/38/96/1020823896.db2.gz SEKPVTQLMJIWAM-CYBMUJFWSA-N 0 3 312.369 3.601 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc(O)c(OCC)c2)cc1 ZINC000264529679 1032950166 /nfs/dbraw/zinc/95/01/66/1032950166.db2.gz HTBSRHUZYOAVNS-UHFFFAOYSA-N 0 3 313.397 3.646 20 30 DHEDHN C#CCCCNCc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC000742385146 1021109672 /nfs/dbraw/zinc/10/96/72/1021109672.db2.gz UVYPIHXPXYFMCW-UHFFFAOYSA-N 0 3 315.848 3.705 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(COC)cc2)c1 ZINC000742371423 1021113500 /nfs/dbraw/zinc/11/35/00/1021113500.db2.gz WAHYFOQYPGHKDK-LJQANCHMSA-N 0 3 324.424 3.804 20 30 DHEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000180737448 1021157162 /nfs/dbraw/zinc/15/71/62/1021157162.db2.gz KPYPXMSBMGCNRB-QGZVFWFLSA-N 0 3 318.376 3.681 20 30 DHEDHN N#Cc1cccc(O[C@@H]2CCCN(CCCC(F)(F)F)C2)c1 ZINC001202434112 1021268763 /nfs/dbraw/zinc/26/87/63/1021268763.db2.gz ZGNHXHKIYOQPIJ-OAHLLOKOSA-N 0 3 312.335 3.744 20 30 DHEDHN N#CCCOCCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000338917279 1021309902 /nfs/dbraw/zinc/30/99/02/1021309902.db2.gz XBKUXLNURXIQOO-UHFFFAOYSA-N 0 3 312.335 3.600 20 30 DHEDHN Cc1ncc2c(n1)CCC[C@@H]2NCc1ccc(C2(C#N)CC2)cc1 ZINC000850139728 1021425409 /nfs/dbraw/zinc/42/54/09/1021425409.db2.gz RHRVSCUYMFHEGH-SFHVURJKSA-N 0 3 318.424 3.507 20 30 DHEDHN C=CC[C@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1ccncc1 ZINC000850137887 1021425476 /nfs/dbraw/zinc/42/54/76/1021425476.db2.gz UZRSHQOQQSNPDA-UXHICEINSA-N 0 3 324.424 3.656 20 30 DHEDHN CN(C)Cc1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000154638715 1021432796 /nfs/dbraw/zinc/43/27/96/1021432796.db2.gz MDRFNVCWIIUIEC-UHFFFAOYSA-N 0 3 313.788 3.526 20 30 DHEDHN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@@H](C)S1 ZINC000092540619 1021442213 /nfs/dbraw/zinc/44/22/13/1021442213.db2.gz MELQRCJTIQRTOP-HUUCEWRRSA-N 0 3 304.459 3.695 20 30 DHEDHN C#CC[C@@H](NCc1ccc(O[C@H](C)COC)cc1)c1ccccc1 ZINC000850225956 1021445803 /nfs/dbraw/zinc/44/58/03/1021445803.db2.gz IRFZRCIQXXKWTC-DYESRHJHSA-N 0 3 323.436 3.955 20 30 DHEDHN COCCCOc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000182056173 1021461452 /nfs/dbraw/zinc/46/14/52/1021461452.db2.gz ODCIFXLISCOPPA-INIZCTEOSA-N 0 3 324.424 3.824 20 30 DHEDHN C#CCN(Cc1cncc(Br)c1)C1CCCCC1 ZINC000744213841 1021470337 /nfs/dbraw/zinc/47/03/37/1021470337.db2.gz NFOXWMBZYDKQFS-UHFFFAOYSA-N 0 3 307.235 3.612 20 30 DHEDHN C=CC[C@@H](NCc1ccc(OCOCC)cc1)c1ccncc1 ZINC000782959726 1021489354 /nfs/dbraw/zinc/48/93/54/1021489354.db2.gz LUHPJCKCDCCWBD-LJQANCHMSA-N 0 3 312.413 3.861 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CCC4(CCC4)O3)nc21 ZINC000892706992 1021517162 /nfs/dbraw/zinc/51/71/62/1021517162.db2.gz XYMLCROGIIDRSO-UONOGXRCSA-N 0 3 323.396 3.539 20 30 DHEDHN CC(C)[C@@H](NCc1ccc(C#N)o1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850413859 1021519610 /nfs/dbraw/zinc/51/96/10/1021519610.db2.gz UKFQVTAMMGCUAN-SJORKVTESA-N 0 3 318.804 3.652 20 30 DHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1N(C)C ZINC000618803211 1021531278 /nfs/dbraw/zinc/53/12/78/1021531278.db2.gz QQZQFWHGLJSVRC-LIRRHRJNSA-N 0 3 305.425 3.962 20 30 DHEDHN N#CC(C(=O)C1[C@@H]2CCCCCC[C@@H]12)c1nc2ccccc2[nH]1 ZINC000850739142 1021633979 /nfs/dbraw/zinc/63/39/79/1021633979.db2.gz STAXOLVAEXJLTA-MGPQQGTHSA-N 0 3 307.397 3.956 20 30 DHEDHN Cc1oc(NC(=O)CN(C)C2CCCCCCC2)c(C#N)c1C ZINC000154800620 1021640805 /nfs/dbraw/zinc/64/08/05/1021640805.db2.gz WRVBOEVCTJXBAV-UHFFFAOYSA-N 0 3 317.433 3.751 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cccc(C)c1C ZINC000538184953 1033002490 /nfs/dbraw/zinc/00/24/90/1033002490.db2.gz OVBAFVSVORVNQQ-IAGOWNOFSA-N 0 3 302.462 3.767 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000728711541 1021847410 /nfs/dbraw/zinc/84/74/10/1021847410.db2.gz DRZRJVNJJSPWCP-LSDHHAIUSA-N 0 3 310.397 3.837 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000728711565 1021847795 /nfs/dbraw/zinc/84/77/95/1021847795.db2.gz GFBKSOKRAUCMFF-GJZGRUSLSA-N 0 3 305.381 3.700 20 30 DHEDHN CC(C)(C)SCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000155117601 1021942357 /nfs/dbraw/zinc/94/23/57/1021942357.db2.gz IPUBIWGNBJNWFL-AWEZNQCLSA-N 0 3 318.442 3.646 20 30 DHEDHN C=CCOc1ccc(CN[C@@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000556912883 1021945323 /nfs/dbraw/zinc/94/53/23/1021945323.db2.gz NZRDXBNFHJCFFJ-GOSISDBHSA-N 0 3 322.408 3.815 20 30 DHEDHN CCCCCCCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000851646416 1021959119 /nfs/dbraw/zinc/95/91/19/1021959119.db2.gz VYOPKTMYWJLFFD-QGZVFWFLSA-N 0 3 304.434 3.647 20 30 DHEDHN C[C@@]12CCN(CCc3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl ZINC000852024238 1022060467 /nfs/dbraw/zinc/06/04/67/1022060467.db2.gz UNWOMFHZPPYZJW-LSDHHAIUSA-N 0 3 309.240 3.616 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000766349816 1022062631 /nfs/dbraw/zinc/06/26/31/1022062631.db2.gz IMAFYHPIIGQCNB-HZPDHXFCSA-N 0 3 304.393 3.982 20 30 DHEDHN C=CC[C@@H]1N(C(=O)Nc2ccc3c(c2)CNC3)CCCC1(C)C ZINC000416020035 1022074893 /nfs/dbraw/zinc/07/48/93/1022074893.db2.gz XPUDITOQNNAEGT-KRWDZBQOSA-N 0 3 313.445 3.888 20 30 DHEDHN N#Cc1cccc(C2(NCc3ccc(CF)cc3)CCOCC2)c1 ZINC000852563220 1022140040 /nfs/dbraw/zinc/14/00/40/1022140040.db2.gz QZVDJTPOJKOSLL-UHFFFAOYSA-N 0 3 324.399 3.823 20 30 DHEDHN C=C[C@@H](N[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001168841261 1022150649 /nfs/dbraw/zinc/15/06/49/1022150649.db2.gz YIAKKHCYQXEACA-BHYGNILZSA-N 0 3 316.445 3.901 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\CCOCCC(C)C)c([O-])c1 ZINC000921260633 1022239113 /nfs/dbraw/zinc/23/91/13/1022239113.db2.gz CLYGIJDZEMYYST-RGEXLXHISA-N 0 3 306.450 3.720 20 30 DHEDHN C=C(CNCc1cc2c(cc1OC)C[C@H](C)O2)c1ccccc1 ZINC000620756458 1022283159 /nfs/dbraw/zinc/28/31/59/1022283159.db2.gz BHSRVUULPPQHOH-HNNXBMFYSA-N 0 3 309.409 3.822 20 30 DHEDHN C#CCOc1ccc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)cc1 ZINC000175050952 1022291123 /nfs/dbraw/zinc/29/11/23/1022291123.db2.gz SIZNJZONCKCXFS-LJQANCHMSA-N 0 3 324.380 3.848 20 30 DHEDHN N#CC1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000183026055 1022321893 /nfs/dbraw/zinc/32/18/93/1022321893.db2.gz FHZFLGOZNMXVTI-UHFFFAOYSA-N 0 3 322.408 3.707 20 30 DHEDHN C[C@@H](CN1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC000609739438 1022344041 /nfs/dbraw/zinc/34/40/41/1022344041.db2.gz LVFSKQUKNNLNTP-INIZCTEOSA-N 0 3 323.415 3.623 20 30 DHEDHN CC[C@H](C)[C@H](C)N(CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000154975493 1022349401 /nfs/dbraw/zinc/34/94/01/1022349401.db2.gz USLJXPZWXZVQFD-AAEUAGOBSA-N 0 3 317.433 3.606 20 30 DHEDHN N#Cc1ccc2c(c1)CN([C@@H]1CSc3ccccc3C1)CC2 ZINC001172194101 1033055468 /nfs/dbraw/zinc/05/54/68/1033055468.db2.gz AWRLNSHVUZVBTK-SFHVURJKSA-N 0 3 306.434 3.633 20 30 DHEDHN C=CCN(C)Cc1cc(C)c(I)cc1C ZINC001169494268 1022428555 /nfs/dbraw/zinc/42/85/55/1022428555.db2.gz GRMMZECJWLXOIG-UHFFFAOYSA-N 0 3 315.198 3.526 20 30 DHEDHN C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(C#N)c(F)c1 ZINC000776738659 1022477562 /nfs/dbraw/zinc/47/75/62/1022477562.db2.gz ONLMQZQRZCRGEQ-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN C=CCOc1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1Cl ZINC000265973893 1022575806 /nfs/dbraw/zinc/57/58/06/1022575806.db2.gz LLDDZIFGWCXHJW-OAHLLOKOSA-N 0 3 321.804 3.629 20 30 DHEDHN Cc1c(CN[C@H]2CCCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000616357439 1022699919 /nfs/dbraw/zinc/69/99/19/1022699919.db2.gz FSRHMUUHEORCPI-SFHVURJKSA-N 0 3 321.380 3.942 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)N(C)Cc1cccc(F)c1F ZINC001172312881 1033081075 /nfs/dbraw/zinc/08/10/75/1033081075.db2.gz LLDIBTHQKSYMCO-ZDUSSCGKSA-N 0 3 300.352 3.899 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCC2)c1 ZINC000114617941 1022875189 /nfs/dbraw/zinc/87/51/89/1022875189.db2.gz GCIYRBZBKRDWIS-YOEHRIQHSA-N 0 3 312.413 3.859 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000768353934 1022949641 /nfs/dbraw/zinc/94/96/41/1022949641.db2.gz CMFFNZRQVKEKRT-DNVCBOLYSA-N 0 3 307.397 3.710 20 30 DHEDHN C=CCOc1cccc(CN2CCC(OC3CCC3)CC2)c1 ZINC000418096830 1022953768 /nfs/dbraw/zinc/95/37/68/1022953768.db2.gz MTFWELJESRBALW-UHFFFAOYSA-N 0 3 301.430 3.785 20 30 DHEDHN Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1C#N ZINC000859164202 1033089424 /nfs/dbraw/zinc/08/94/24/1033089424.db2.gz WJINFHPKGPWMNM-MSOLQXFVSA-N 0 3 310.397 3.548 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000876599005 1033103534 /nfs/dbraw/zinc/10/35/34/1033103534.db2.gz UAAFDACYRGFGAB-NSHDSACASA-N 0 3 321.808 3.534 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000876605720 1033104266 /nfs/dbraw/zinc/10/42/66/1033104266.db2.gz WRZOVMASBYTSBC-HOTGVXAUSA-N 0 3 324.827 3.643 20 30 DHEDHN C#CCOc1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000769317531 1023121600 /nfs/dbraw/zinc/12/16/00/1023121600.db2.gz SBVSZVKONCBPNO-NRFANRHFSA-N 0 3 321.420 3.662 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC000876671345 1033121024 /nfs/dbraw/zinc/12/10/24/1033121024.db2.gz MPCDOAIXLXIJAF-DLBZAZTESA-N 0 3 320.864 3.909 20 30 DHEDHN CO[C@H](CNCc1ccc(C#N)s1)c1ccccc1Cl ZINC000124976084 1023390372 /nfs/dbraw/zinc/39/03/72/1023390372.db2.gz AFMXIAAUADDPCW-OAHLLOKOSA-N 0 3 306.818 3.750 20 30 DHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C2CC2)n1C1CC1 ZINC000661115166 1023483889 /nfs/dbraw/zinc/48/38/89/1023483889.db2.gz PYYZHFDXWTWMLW-CJNGLKHVSA-N 0 3 300.450 3.715 20 30 DHEDHN C#CCN(Cc1ccc2c(c1)COC2)[C@H]1CCc2ccccc21 ZINC000772600705 1023578475 /nfs/dbraw/zinc/57/84/75/1023578475.db2.gz XEAJGSRMMUGEMX-NRFANRHFSA-N 0 3 303.405 3.840 20 30 DHEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000661379027 1023583565 /nfs/dbraw/zinc/58/35/65/1023583565.db2.gz QVXZCVTVVGZODK-SJORKVTESA-N 0 3 300.446 3.919 20 30 DHEDHN CC(C)(C#N)CCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785711965 1023612506 /nfs/dbraw/zinc/61/25/06/1023612506.db2.gz DUVFNQHGDYRJSP-UHFFFAOYSA-N 0 3 314.429 3.769 20 30 DHEDHN C#CCOc1ccccc1CN[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000786863269 1023732535 /nfs/dbraw/zinc/73/25/35/1023732535.db2.gz ZXWYFAPGYYSLJO-OXJNMPFZSA-N 0 3 309.409 3.564 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000787035467 1023751637 /nfs/dbraw/zinc/75/16/37/1023751637.db2.gz VOOXITXGDNAPBN-QVKFZJNVSA-N 0 3 316.404 3.908 20 30 DHEDHN C#CCOc1ccc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420319 1023790994 /nfs/dbraw/zinc/79/09/94/1023790994.db2.gz GSWRAAXKXDWJON-OAHLLOKOSA-N 0 3 311.347 3.861 20 30 DHEDHN CN(CC(=O)N(CCC#N)c1ccccc1)C1CCCCCC1 ZINC000053847132 1023972661 /nfs/dbraw/zinc/97/26/61/1023972661.db2.gz FYZGIROXEFUNPW-UHFFFAOYSA-N 0 3 313.445 3.588 20 30 DHEDHN C=CCOc1ccc(CNCc2cc(F)cc(OC)c2)cc1 ZINC000093970886 1024001329 /nfs/dbraw/zinc/00/13/29/1024001329.db2.gz HQPUSLDGPKSXED-UHFFFAOYSA-N 0 3 301.361 3.689 20 30 DHEDHN COc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000538824022 1033202266 /nfs/dbraw/zinc/20/22/66/1033202266.db2.gz YZDAEROBVPCLCX-UHFFFAOYSA-N 0 3 304.393 3.856 20 30 DHEDHN COc1cccc2c1OCCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000883331203 1024385620 /nfs/dbraw/zinc/38/56/20/1024385620.db2.gz UDOYKTNVRHTRTJ-FMKPAKJESA-N 0 3 300.402 3.581 20 30 DHEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000883393275 1024424438 /nfs/dbraw/zinc/42/44/38/1024424438.db2.gz ZCJPEEWPAQSAOC-CVEARBPZSA-N 0 3 312.413 3.852 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccccc1Br ZINC000453332894 1024465003 /nfs/dbraw/zinc/46/50/03/1024465003.db2.gz CRXXULJGLMLUQU-DFBGVHRSSA-N 0 3 310.235 3.833 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000303253228 1024449900 /nfs/dbraw/zinc/44/99/00/1024449900.db2.gz BKCJWOKKPUZSGL-AEFFLSMTSA-N 0 3 321.509 3.541 20 30 DHEDHN N#Cc1cccc(CNCc2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC000066971982 1024479582 /nfs/dbraw/zinc/47/95/82/1024479582.db2.gz SCMNYZOVCPMMAM-UHFFFAOYSA-N 0 3 322.799 3.892 20 30 DHEDHN C=CCc1cc(CN2CCc3ccsc3C2)c(O)c(OC)c1 ZINC000132637655 1024491774 /nfs/dbraw/zinc/49/17/74/1024491774.db2.gz ZQGUEPNSBCNBGK-UHFFFAOYSA-N 0 3 315.438 3.749 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1F)N1CCC[C@]2(CCSC2)C1 ZINC000453378226 1024496945 /nfs/dbraw/zinc/49/69/45/1024496945.db2.gz VVQOQNKVHOWHPY-DYVFJYSZSA-N 0 3 304.434 3.977 20 30 DHEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccc(F)cn1 ZINC000271397374 1024497579 /nfs/dbraw/zinc/49/75/79/1024497579.db2.gz RCKFWFGLUDCVQX-ZDUSSCGKSA-N 0 3 315.417 3.676 20 30 DHEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(C#N)s1 ZINC000271476783 1024517984 /nfs/dbraw/zinc/51/79/84/1024517984.db2.gz LIJIEEBIDIMNQF-ZBEGNZNMSA-N 0 3 304.390 3.625 20 30 DHEDHN C=CCCOCCNCc1sc(C)cc1Br ZINC000453576589 1024541225 /nfs/dbraw/zinc/54/12/25/1024541225.db2.gz WDHCCDJZRSPRGJ-UHFFFAOYSA-N 0 3 304.253 3.501 20 30 DHEDHN COc1cc(CNC/C=C/c2ccc(F)cc2F)ccc1C#N ZINC000569651769 1024574837 /nfs/dbraw/zinc/57/48/37/1024574837.db2.gz QTIKJAOJJUNNJA-NSCUHMNNSA-N 0 3 314.335 3.648 20 30 DHEDHN CC(C)[C@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC001170394795 1024761536 /nfs/dbraw/zinc/76/15/36/1024761536.db2.gz AOYGURYOKKYZET-IOJLRTSASA-N 0 3 312.457 3.747 20 30 DHEDHN C=CCN(Cc1ccc(OC)c(OCc2cccnc2)c1)C1CC1 ZINC000350272576 1024802099 /nfs/dbraw/zinc/80/20/99/1024802099.db2.gz XVYFHIQNAFXTIE-UHFFFAOYSA-N 0 3 324.424 3.820 20 30 DHEDHN CC(=NN[C@H](C)C(C)(C)C)c1ccc(N2CCCC2)cc1O ZINC000793115858 1024901925 /nfs/dbraw/zinc/90/19/25/1024901925.db2.gz PQIHWOJKAGOLRQ-CQSZACIVSA-N 0 3 303.450 3.741 20 30 DHEDHN C=C(Br)CN[C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000793523757 1025071044 /nfs/dbraw/zinc/07/10/44/1025071044.db2.gz FELPMZLOQVSMEA-KCPJHIHWSA-N 0 3 310.235 3.685 20 30 DHEDHN CN(C)C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000353598928 1025144697 /nfs/dbraw/zinc/14/46/97/1025144697.db2.gz VIJMYASAKKDOMI-VQTJNVASSA-N 0 3 323.415 3.577 20 30 DHEDHN C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC001168202050 1025266143 /nfs/dbraw/zinc/26/61/43/1025266143.db2.gz QEKKCBKKBSIYTB-UONOGXRCSA-N 0 3 311.347 3.915 20 30 DHEDHN N#CCCC[C@@H](NCc1cnn(CC(F)F)c1)c1ccccc1 ZINC000353917902 1025290134 /nfs/dbraw/zinc/29/01/34/1025290134.db2.gz VYFFOBZHMLAGRP-MRXNPFEDSA-N 0 3 318.371 3.673 20 30 DHEDHN N#Cc1cccc(CN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000053230124 1025343294 /nfs/dbraw/zinc/34/32/94/1025343294.db2.gz FQKSPDMRXPUOLW-HXUWFJFHSA-N 0 3 306.409 3.739 20 30 DHEDHN CN(CCSc1nc(Cl)c(C#N)s1)Cc1ccccc1 ZINC000804673616 1025427241 /nfs/dbraw/zinc/42/72/41/1025427241.db2.gz JBSXKKKTQYMVQK-UHFFFAOYSA-N 0 3 323.874 3.892 20 30 DHEDHN N#Cc1cccc(CNc2cccc(CN3CCSCC3)c2)c1 ZINC000125239930 1025463389 /nfs/dbraw/zinc/46/33/89/1025463389.db2.gz ZYEFQOWILJLSBN-UHFFFAOYSA-N 0 3 323.465 3.719 20 30 DHEDHN C=C[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000136583182 1025470240 /nfs/dbraw/zinc/47/02/40/1025470240.db2.gz DEAGEAFUDJZVBR-QAPCUYQASA-N 0 3 324.424 3.504 20 30 DHEDHN Cc1cccc(C2=CCN(C[C@@H](O)CC3(C#N)CCC3)CC2)c1 ZINC000886102355 1025506251 /nfs/dbraw/zinc/50/62/51/1025506251.db2.gz FOLJCGGAOPJXCJ-IBGZPJMESA-N 0 3 310.441 3.529 20 30 DHEDHN C=CCSCCN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000540968520 1025576567 /nfs/dbraw/zinc/57/65/67/1025576567.db2.gz PZKHWWQTXAGEIY-CQSZACIVSA-N 0 3 319.392 3.902 20 30 DHEDHN CSc1ccc(CNCc2ccc3c(c2)CCO3)cc1C#N ZINC000886278521 1025580791 /nfs/dbraw/zinc/58/07/91/1025580791.db2.gz BDZQVTYZKBDRFI-UHFFFAOYSA-N 0 3 310.422 3.505 20 30 DHEDHN CCN(CCC1CC1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000355053799 1025594453 /nfs/dbraw/zinc/59/44/53/1025594453.db2.gz BFDSHGPLVNJHRE-LBPRGKRZSA-N 0 3 319.836 3.661 20 30 DHEDHN C#CC[C@H]1CCN([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000886359324 1025602451 /nfs/dbraw/zinc/60/24/51/1025602451.db2.gz ARFQHAPSQQDMJK-HOTGVXAUSA-N 0 3 309.413 3.760 20 30 DHEDHN C#CC[C@@H]1CCN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000886355277 1025602649 /nfs/dbraw/zinc/60/26/49/1025602649.db2.gz FVEDYSIEOVCLIR-CHWSQXEVSA-N 0 3 315.804 3.796 20 30 DHEDHN C#CC[C@H]1CCN([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000886358462 1025604086 /nfs/dbraw/zinc/60/40/86/1025604086.db2.gz VFQZFJVJATUIIP-OLZOCXBDSA-N 0 3 315.804 3.796 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cnc2onc(C)c2c1 ZINC000893951264 1025621471 /nfs/dbraw/zinc/62/14/71/1025621471.db2.gz GGUGHDWHBAGNQU-UHFFFAOYSA-N 0 3 320.396 3.815 20 30 DHEDHN N#Cc1ccc(OCCCN2CCC[C@H]2c2cccnc2)cc1 ZINC000805746590 1025667771 /nfs/dbraw/zinc/66/77/71/1025667771.db2.gz BSGWXHMJOSNUEJ-IBGZPJMESA-N 0 3 307.397 3.559 20 30 DHEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCc2c1cnn2C ZINC000614176152 1025810658 /nfs/dbraw/zinc/81/06/58/1025810658.db2.gz MIXRTYZYSIASOL-SFHVURJKSA-N 0 3 322.456 3.731 20 30 DHEDHN Cc1cc(CN(C)CCCC#N)cc(C)c1OCC(F)(F)F ZINC000054396027 1025855948 /nfs/dbraw/zinc/85/59/48/1025855948.db2.gz CTMPDYGBBGBYJN-UHFFFAOYSA-N 0 3 314.351 3.980 20 30 DHEDHN C=CCC1(O)CCN(Cc2ccc(SC(F)F)cc2)CC1 ZINC000886764332 1025883509 /nfs/dbraw/zinc/88/35/09/1025883509.db2.gz QSKURFUCNCRQAP-UHFFFAOYSA-N 0 3 313.413 3.904 20 30 DHEDHN C=CCC[C@H](NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1)c1ccco1 ZINC000886766082 1025884714 /nfs/dbraw/zinc/88/47/14/1025884714.db2.gz BOJZXFBEWRZUEA-CVYDXHPNSA-N 0 3 305.418 3.603 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H]([C@@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000886816216 1025939932 /nfs/dbraw/zinc/93/99/32/1025939932.db2.gz PIOJQKTTYNDKNM-HOCLYGCPSA-N 0 3 324.346 3.578 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]3COCC[C@H]32)c(C(F)(F)F)c1 ZINC000356108364 1025947581 /nfs/dbraw/zinc/94/75/81/1025947581.db2.gz IOGZLHHESOYJMV-GOEBONIOSA-N 0 3 324.346 3.578 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000128936949 1026131134 /nfs/dbraw/zinc/13/11/34/1026131134.db2.gz BEOOLXGYOHUMCK-PXNSSMCTSA-N 0 3 322.452 3.641 20 30 DHEDHN CC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CC1(C)C ZINC000419318638 1026148442 /nfs/dbraw/zinc/14/84/42/1026148442.db2.gz NXBGXNPBOCTTCV-GJZGRUSLSA-N 0 3 310.401 3.523 20 30 DHEDHN CN(CC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419330638 1026173632 /nfs/dbraw/zinc/17/36/32/1026173632.db2.gz IBYXDMAPOLVHKU-ZIAGYGMSSA-N 0 3 319.474 3.705 20 30 DHEDHN C#CC[C@H](NCc1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000808400648 1026280513 /nfs/dbraw/zinc/28/05/13/1026280513.db2.gz SXPDWZHSBNPMTH-SFHVURJKSA-N 0 3 309.409 3.866 20 30 DHEDHN C#CCOc1ccccc1CNC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000808451589 1026292409 /nfs/dbraw/zinc/29/24/09/1026292409.db2.gz TUUHJFUJXUCICD-TZIWHRDSSA-N 0 3 321.420 3.709 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000809609977 1026564070 /nfs/dbraw/zinc/56/40/70/1026564070.db2.gz LQRSCCIWTRAJMW-UHFFFAOYSA-N 0 3 300.199 3.720 20 30 DHEDHN C#C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000809683508 1026591803 /nfs/dbraw/zinc/59/18/03/1026591803.db2.gz FOIVURISPXFLHQ-OAHLLOKOSA-N 0 3 319.383 3.790 20 30 DHEDHN C#C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000809683958 1026593868 /nfs/dbraw/zinc/59/38/68/1026593868.db2.gz SVQNGBPHRDGPPQ-INIZCTEOSA-N 0 3 301.393 3.651 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000809729331 1026595600 /nfs/dbraw/zinc/59/56/00/1026595600.db2.gz SKEIZLVTDRGMRN-HNAYVOBHSA-N 0 3 307.397 3.710 20 30 DHEDHN C#C[C@H](NCc1ccc(OC(F)F)c(OCC)c1)C(C)(C)C ZINC000809782561 1026623806 /nfs/dbraw/zinc/62/38/06/1026623806.db2.gz YNJGLFLXOYCPOQ-HNNXBMFYSA-N 0 3 311.372 3.824 20 30 DHEDHN C#C[C@H](NCc1c(C)nn(Cc2ccccc2)c1C)C(C)(C)C ZINC000809781973 1026623957 /nfs/dbraw/zinc/62/39/57/1026623957.db2.gz FSLHOKVUSAZSEG-IBGZPJMESA-N 0 3 309.457 3.686 20 30 DHEDHN CC(C)(C)[C@@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000280636806 1026685936 /nfs/dbraw/zinc/68/59/36/1026685936.db2.gz XWSNDUOCZMNMHR-MRXNPFEDSA-N 0 3 324.428 3.866 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccccc1N1CCCC1 ZINC000015573712 1026704242 /nfs/dbraw/zinc/70/42/42/1026704242.db2.gz VJRJGQVLWHPGOC-UHFFFAOYSA-N 0 3 305.425 3.790 20 30 DHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1nccc2ccccc21 ZINC000810223887 1026710859 /nfs/dbraw/zinc/71/08/59/1026710859.db2.gz BQFXMANTKDXVND-OAHLLOKOSA-N 0 3 317.392 3.988 20 30 DHEDHN Cc1ccccc1NC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419842703 1026766453 /nfs/dbraw/zinc/76/64/53/1026766453.db2.gz WEOPTAAANBFVRR-LBPRGKRZSA-N 0 3 313.426 3.995 20 30 DHEDHN CO[C@H](c1ccccc1F)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000421343741 1026958137 /nfs/dbraw/zinc/95/81/37/1026958137.db2.gz QMSULEUIHQREEB-SGTLLEGYSA-N 0 3 316.351 3.702 20 30 DHEDHN C=CCOc1cccc(CN2CCC[C@H]2c2cn(C)nc2C)c1 ZINC000362337831 1027154597 /nfs/dbraw/zinc/15/45/97/1027154597.db2.gz YWDKALVURAWFCG-IBGZPJMESA-N 0 3 311.429 3.630 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)s1 ZINC000362388589 1027179347 /nfs/dbraw/zinc/17/93/47/1027179347.db2.gz HBESCZQFYKRYJC-MSOLQXFVSA-N 0 3 312.438 3.708 20 30 DHEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)CC[C@H](C(F)(F)F)O1 ZINC000931615398 1027189618 /nfs/dbraw/zinc/18/96/18/1027189618.db2.gz AOHPSXBLAWIRJD-ZIAGYGMSSA-N 0 3 318.383 3.892 20 30 DHEDHN C[C@H]1CC[C@H](N(C)Cc2ccc(Br)cc2C#N)C1 ZINC000573395554 1027288031 /nfs/dbraw/zinc/28/80/31/1027288031.db2.gz QWQVVTPALIVTAQ-NHYWBVRUSA-N 0 3 307.235 3.941 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913896 1027304971 /nfs/dbraw/zinc/30/49/71/1027304971.db2.gz QCARXDMMJNKBPR-FZMZJTMJSA-N 0 3 312.310 3.986 20 30 DHEDHN Cc1nccn1CCCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000362722541 1027359221 /nfs/dbraw/zinc/35/92/21/1027359221.db2.gz FEYVNZXZBCGLAI-WOJBJXKFSA-N 0 3 322.456 3.744 20 30 DHEDHN N#CC(C(=O)CCSc1ccc(F)cc1)c1ccccn1 ZINC000046705979 1027434847 /nfs/dbraw/zinc/43/48/47/1027434847.db2.gz CIGVCKKQQHZFNE-AWEZNQCLSA-N 0 3 300.358 3.579 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCC#N)cc1 ZINC000813060273 1027509229 /nfs/dbraw/zinc/50/92/29/1027509229.db2.gz UCKOZBFOZPKKOS-CZUORRHYSA-N 0 3 311.385 3.541 20 30 DHEDHN COc1ccc([C@@H](CCC#N)NCCN(C)c2ccccc2)cc1 ZINC000562592567 1027517171 /nfs/dbraw/zinc/51/71/71/1027517171.db2.gz KEJBQRUDMKDWLS-HXUWFJFHSA-N 0 3 323.440 3.766 20 30 DHEDHN CCCN(Cc1c(C)nc2ccccn21)Cc1ccc(C#N)cc1 ZINC000158498466 1027551593 /nfs/dbraw/zinc/55/15/93/1027551593.db2.gz LNCBVRNPRMTYMV-UHFFFAOYSA-N 0 3 318.424 3.927 20 30 DHEDHN CC[C@H](CC#N)NCCCOc1cccc(C(F)(F)F)c1 ZINC000576289552 1027596882 /nfs/dbraw/zinc/59/68/82/1027596882.db2.gz IIQHJKSCEWNENM-CYBMUJFWSA-N 0 3 300.324 3.756 20 30 DHEDHN C=CCCn1cc(CN2CCC[C@]2(C)Cc2cccs2)nn1 ZINC000932923032 1027650491 /nfs/dbraw/zinc/65/04/91/1027650491.db2.gz PCLRVFAJXJMFSW-QGZVFWFLSA-N 0 3 316.474 3.513 20 30 DHEDHN C#CCC1(N[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)CCC1 ZINC000933302840 1027712894 /nfs/dbraw/zinc/71/28/94/1027712894.db2.gz JAAGPLGGOJFFDX-MRXNPFEDSA-N 0 3 312.457 3.981 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CC[C@@H](SC)C1 ZINC000778172334 1027740386 /nfs/dbraw/zinc/74/03/86/1027740386.db2.gz HTHMDOGGEKQLIL-CHWSQXEVSA-N 0 3 309.862 3.726 20 30 DHEDHN Cn1cc([C@@H]2CSCCCN2CCCCC(C)(C)C#N)cn1 ZINC000933977509 1027874191 /nfs/dbraw/zinc/87/41/91/1027874191.db2.gz FKUMFNBNTCCIKL-INIZCTEOSA-N 0 3 320.506 3.620 20 30 DHEDHN C=CC[C@@H](C)[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000298249772 1027898662 /nfs/dbraw/zinc/89/86/62/1027898662.db2.gz DFXDOEBAYWQPSA-SNVBAGLBSA-N 0 3 314.223 3.608 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000527840805 1027915304 /nfs/dbraw/zinc/91/53/04/1027915304.db2.gz TXLYULVSAPTUQV-HXUWFJFHSA-N 0 3 324.424 3.896 20 30 DHEDHN Cc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563216982 1027939174 /nfs/dbraw/zinc/93/91/74/1027939174.db2.gz PFIZCVBMJFHTQN-MRXNPFEDSA-N 0 3 321.380 3.764 20 30 DHEDHN C=CCOCCN(Cc1cccc(Br)c1)C1CC1 ZINC000563257701 1027956871 /nfs/dbraw/zinc/95/68/71/1027956871.db2.gz GNMSURROIDECGT-UHFFFAOYSA-N 0 3 310.235 3.616 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCOC23CCCC3)cc1 ZINC000934381100 1027989284 /nfs/dbraw/zinc/98/92/84/1027989284.db2.gz MLMLDCGOEGLBOF-INIZCTEOSA-N 0 3 323.358 3.748 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000601288507 1028062659 /nfs/dbraw/zinc/06/26/59/1028062659.db2.gz ZIUHOEUWXNUPCQ-PVXIVEMSSA-N 0 3 310.800 3.575 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=C)C)c2)CC1 ZINC000934880455 1028138891 /nfs/dbraw/zinc/13/88/91/1028138891.db2.gz WDPFHBYIWUPVQN-UHFFFAOYSA-N 0 3 313.445 3.882 20 30 DHEDHN C[C@@H](NCc1cnc[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367827268 1028245349 /nfs/dbraw/zinc/24/53/49/1028245349.db2.gz RSXGQYQHEUMNNI-CQSZACIVSA-N 0 3 302.381 3.799 20 30 DHEDHN COc1ccc(CN(C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000159856801 1028276361 /nfs/dbraw/zinc/27/63/61/1028276361.db2.gz OCFKZVUFGONLGG-OAHLLOKOSA-N 0 3 310.397 3.618 20 30 DHEDHN C=CCOCCN1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000815031757 1028340206 /nfs/dbraw/zinc/34/02/06/1028340206.db2.gz DMEQTWCQXHSPTG-UHFFFAOYSA-N 0 3 308.491 3.823 20 30 DHEDHN N#Cc1ccc(-c2cnc(CN(CC3CC3)C3CCC3)o2)cc1 ZINC000368449118 1028354302 /nfs/dbraw/zinc/35/43/02/1028354302.db2.gz IHKWSGPOYALHBQ-UHFFFAOYSA-N 0 3 307.397 3.978 20 30 DHEDHN CCc1nc([C@H]2CCCN(CCCCC(C)(C)C#N)C2)no1 ZINC000368436754 1028354448 /nfs/dbraw/zinc/35/44/48/1028354448.db2.gz BFFGHQDSTVOSDF-AWEZNQCLSA-N 0 3 304.438 3.531 20 30 DHEDHN C=CCN1CCC(NC(=O)c2ccc(C3CCCC3)cc2)CC1 ZINC000579653365 1028460486 /nfs/dbraw/zinc/46/04/86/1028460486.db2.gz YJQLGKMEWAEREF-UHFFFAOYSA-N 0 3 312.457 3.724 20 30 DHEDHN CN(Cc1cc(C#N)ccc1F)C1CCN(c2ccccc2)CC1 ZINC000369955404 1028549329 /nfs/dbraw/zinc/54/93/29/1028549329.db2.gz RDTLRWUBJIBKNR-UHFFFAOYSA-N 0 3 323.415 3.798 20 30 DHEDHN CCCCCCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000815590296 1028558545 /nfs/dbraw/zinc/55/85/45/1028558545.db2.gz QUFMEUUNHLZZBQ-INIZCTEOSA-N 0 3 304.413 3.983 20 30 DHEDHN COc1cccc([C@H]2CN(Cc3ccc(C#N)cn3)CC2(C)C)c1 ZINC000528628274 1028617414 /nfs/dbraw/zinc/61/74/14/1028617414.db2.gz YDYNAPJEVNKFJX-LJQANCHMSA-N 0 3 321.424 3.587 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN2CC=C(c3cccc(F)c3)CC2)cc1 ZINC000370557344 1028618756 /nfs/dbraw/zinc/61/87/56/1028618756.db2.gz KGUZULRRJRXAIE-FQEVSTJZSA-N 0 3 322.383 3.520 20 30 DHEDHN C=CCC[C@H](NCCNC(=O)CC1CCCC1)c1ccco1 ZINC000566871518 1028795843 /nfs/dbraw/zinc/79/58/43/1028795843.db2.gz VWJBFDLEVJHFMD-INIZCTEOSA-N 0 3 304.434 3.573 20 30 DHEDHN C#CCOc1ccccc1CN[C@@H](C)c1ccc(OC)cc1C ZINC000840726810 1028899153 /nfs/dbraw/zinc/89/91/53/1028899153.db2.gz CUJXWHCPWCNSDT-INIZCTEOSA-N 0 3 309.409 3.866 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528909742 1028917735 /nfs/dbraw/zinc/91/77/35/1028917735.db2.gz OKFGULLEYDBCMA-BFHYXJOUSA-N 0 3 321.405 3.615 20 30 DHEDHN CC[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)N(CC)CC ZINC000778600041 1028934031 /nfs/dbraw/zinc/93/40/31/1028934031.db2.gz WDHGOPWRTNVBFV-OCCSQVGLSA-N 0 3 315.442 3.593 20 30 DHEDHN CC[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(C#N)cc1 ZINC000373058854 1028942615 /nfs/dbraw/zinc/94/26/15/1028942615.db2.gz SOQSIXCIGHIVSI-UXHICEINSA-N 0 3 305.425 3.786 20 30 DHEDHN C=CCC(C)(C)CNCc1c(Cl)n(C)nc1C(F)(F)F ZINC000816628063 1028952818 /nfs/dbraw/zinc/95/28/18/1028952818.db2.gz GIWZKLVJCMPSRL-UHFFFAOYSA-N 0 3 309.763 3.784 20 30 DHEDHN N#CCCC1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000567791510 1028958047 /nfs/dbraw/zinc/95/80/47/1028958047.db2.gz UMZLNGSFRBPEKE-UHFFFAOYSA-N 0 3 306.413 3.659 20 30 DHEDHN C=CCC[C@H](CCC)NCc1nnc(-c2ccncc2F)s1 ZINC000373469109 1029052453 /nfs/dbraw/zinc/05/24/53/1029052453.db2.gz MGBXAYCHPDLVGO-LBPRGKRZSA-N 0 3 320.437 3.964 20 30 DHEDHN C=CCC(C)(C)CN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000569631592 1029237548 /nfs/dbraw/zinc/23/75/48/1029237548.db2.gz FQDYFQDSDQHNHA-QGZVFWFLSA-N 0 3 301.409 3.841 20 30 DHEDHN Cc1nc(C(C#N)C(=O)Nc2cccc(Cl)c2)sc1C ZINC000155661731 1029272228 /nfs/dbraw/zinc/27/22/28/1029272228.db2.gz BVNXPQDRAOKWGQ-GFCCVEGCSA-N 0 3 305.790 3.659 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450297993 1029331618 /nfs/dbraw/zinc/33/16/18/1029331618.db2.gz KXIORZUNGGHQMG-DYESRHJHSA-N 0 3 320.436 3.711 20 30 DHEDHN C[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000044276653 1029378375 /nfs/dbraw/zinc/37/83/75/1029378375.db2.gz VKGYXTNFKQTBOY-CQSZACIVSA-N 0 3 322.412 3.503 20 30 DHEDHN Cc1ccccc1C1=CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000374613737 1029403868 /nfs/dbraw/zinc/40/38/68/1029403868.db2.gz PFVKINVKGSFLJW-NRFANRHFSA-N 0 3 318.420 3.689 20 30 DHEDHN CCCCCCCCOCC(=O)Nc1ccc2c(c1)CNC2 ZINC000818596206 1029424840 /nfs/dbraw/zinc/42/48/40/1029424840.db2.gz CMBIGKGSUBAXLE-UHFFFAOYSA-N 0 3 304.434 3.605 20 30 DHEDHN Cc1nc2ccccc2n1C[C@H]1CCCN1CC1(C#N)CCC1 ZINC000450626966 1029574373 /nfs/dbraw/zinc/57/43/73/1029574373.db2.gz VZLQESOLLQVJJS-MRXNPFEDSA-N 0 3 308.429 3.503 20 30 DHEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1cc(C)cs1 ZINC001275527585 1029926897 /nfs/dbraw/zinc/92/68/97/1029926897.db2.gz CTXNRDOTRZRAOX-GOSISDBHSA-N 0 3 318.486 3.590 20 30 DHEDHN C[C@@H](Cc1ccccc1Br)NCC1(C#N)CCC1 ZINC001256824009 1029973052 /nfs/dbraw/zinc/97/30/52/1029973052.db2.gz ISRXXKOQNFJQOD-LBPRGKRZSA-N 0 3 307.235 3.664 20 30 DHEDHN CC[C@H](Cc1cn(C)c2ccccc12)NCc1nc(C#N)cs1 ZINC000865698543 1029978901 /nfs/dbraw/zinc/97/89/01/1029978901.db2.gz OTYWUHXBLVNZJW-CQSZACIVSA-N 0 3 324.453 3.617 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@](C)(CC)C1 ZINC000468126587 1029980560 /nfs/dbraw/zinc/98/05/60/1029980560.db2.gz LADXPRSPGTWUGB-QAPCUYQASA-N 0 3 320.502 3.773 20 30 DHEDHN CC(C)[C@@H](C)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000357482482 1030073270 /nfs/dbraw/zinc/07/32/70/1030073270.db2.gz KSTCTEYFVVMDCY-CQSZACIVSA-N 0 3 321.852 3.563 20 30 DHEDHN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[C@H](C)C1 ZINC000452060610 1030111021 /nfs/dbraw/zinc/11/10/21/1030111021.db2.gz DXWOUWREHFWVBU-OFQRWUPVSA-N 0 3 324.428 3.913 20 30 DHEDHN COC(=O)CC1(NCC#Cc2ccccc2Cl)CCCCC1 ZINC000533080147 1030125740 /nfs/dbraw/zinc/12/57/40/1030125740.db2.gz HEPHRMHRUDLJEL-UHFFFAOYSA-N 0 3 319.832 3.547 20 30 DHEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1cccc(N2CCCC2=O)c1 ZINC000924799274 1030191810 /nfs/dbraw/zinc/19/18/10/1030191810.db2.gz MIJOAYVPTANJIE-LSDHHAIUSA-N 0 3 313.445 3.792 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](CC)C1 ZINC000533224678 1030203751 /nfs/dbraw/zinc/20/37/51/1030203751.db2.gz WPTVHKKFBMGFOI-CVEARBPZSA-N 0 3 320.502 3.773 20 30 DHEDHN N#Cc1ccc(CNCc2cccc(-c3ccccn3)c2)s1 ZINC000130248710 1030206792 /nfs/dbraw/zinc/20/67/92/1030206792.db2.gz YSZNHAJXARXWPO-UHFFFAOYSA-N 0 3 305.406 3.972 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000925303609 1030338955 /nfs/dbraw/zinc/33/89/55/1030338955.db2.gz ONVBFURUYMHHMT-LBPRGKRZSA-N 0 3 322.836 3.919 20 30 DHEDHN CCN(CCNCc1ccc(C#N)cc1F)c1ccccc1C ZINC000533449313 1030354820 /nfs/dbraw/zinc/35/48/20/1030354820.db2.gz ZFNXUHLWYUNBAG-UHFFFAOYSA-N 0 3 311.404 3.622 20 30 DHEDHN C[C@H](NC1([C@@H]2CCCCO2)CCC1)c1ccc(C#N)cc1F ZINC000866624078 1030411529 /nfs/dbraw/zinc/41/15/29/1030411529.db2.gz ZIDVUQMPDMUXML-GUYCJALGSA-N 0 3 302.393 3.840 20 30 DHEDHN C[C@@H](NC1([C@@H]2CCCCO2)CCC1)c1ccc(C#N)cc1F ZINC000866624077 1030411764 /nfs/dbraw/zinc/41/17/64/1030411764.db2.gz ZIDVUQMPDMUXML-DYVFJYSZSA-N 0 3 302.393 3.840 20 30 DHEDHN C[C@H](NC1([C@H]2CCCCO2)CCC1)c1ccc(C#N)cc1F ZINC000866624079 1030411888 /nfs/dbraw/zinc/41/18/88/1030411888.db2.gz ZIDVUQMPDMUXML-SUMWQHHRSA-N 0 3 302.393 3.840 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(OC(F)F)c1)CC2 ZINC000558493557 1030602529 /nfs/dbraw/zinc/60/25/29/1030602529.db2.gz GTPRDFDPUOPQNF-KRWDZBQOSA-N 0 3 314.335 3.937 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824952921 1030679184 /nfs/dbraw/zinc/67/91/84/1030679184.db2.gz GBAFDMNPVWKDBE-QUCCMNQESA-N 0 3 309.409 3.882 20 30 DHEDHN C#Cc1cccc(CNCc2ccc(OC)c(OCCC)c2)c1 ZINC000825226510 1030752871 /nfs/dbraw/zinc/75/28/71/1030752871.db2.gz HPSPUYPNMDZMJX-UHFFFAOYSA-N 0 3 309.409 3.755 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(C(C)(C)O)cc2)cc1 ZINC000926530188 1030781329 /nfs/dbraw/zinc/78/13/29/1030781329.db2.gz KYASFYXZCTUQGB-MRXNPFEDSA-N 0 3 323.436 3.777 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000926688480 1030863504 /nfs/dbraw/zinc/86/35/04/1030863504.db2.gz DIZHVDZALYIAMY-YPMHNXCESA-N 0 3 306.372 3.794 20 30 DHEDHN COc1cc(C)cc(C(=O)C(C#N)c2nc(C)cs2)c1C ZINC000870116385 1030926495 /nfs/dbraw/zinc/92/64/95/1030926495.db2.gz FFGYKFHHUNNALE-CYBMUJFWSA-N 0 3 300.383 3.567 20 30 DHEDHN N#CC(C(=O)CCc1ccc(F)c2c1CCCC2)c1ccccn1 ZINC000870135849 1030929430 /nfs/dbraw/zinc/92/94/30/1030929430.db2.gz DEBKWWIFOFOPDB-QGZVFWFLSA-N 0 3 322.383 3.909 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(OC(F)F)cc1F ZINC000926802777 1030936756 /nfs/dbraw/zinc/93/67/56/1030936756.db2.gz YOMXNDFKBSCRGL-JTQLQIEISA-N 0 3 300.324 3.845 20 30 DHEDHN C=C(C)CN(CCCn1ccnc1)Cc1ccccc1OCC ZINC000161895406 1030959323 /nfs/dbraw/zinc/95/93/23/1030959323.db2.gz HWEIDSPBDGIDOC-UHFFFAOYSA-N 0 3 313.445 3.750 20 30 DHEDHN C[C@H]1Cc2cc(CN[C@H]3CCc4ccc(C#N)cc43)ccc2O1 ZINC000926917968 1030992226 /nfs/dbraw/zinc/99/22/26/1030992226.db2.gz FYLHDTMCUQBHFW-DJJJIMSYSA-N 0 3 304.393 3.659 20 30 DHEDHN Cc1nc(C(C)C)ccc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371887 1031072999 /nfs/dbraw/zinc/07/29/99/1031072999.db2.gz ROCRBJHAZGDUEY-HXUWFJFHSA-N 0 3 323.440 3.551 20 30 DHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1C(F)(F)F ZINC000359738582 1031120494 /nfs/dbraw/zinc/12/04/94/1031120494.db2.gz YZCMPSASOGFWDW-NSHDSACASA-N 0 3 307.319 3.766 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000359841775 1031159482 /nfs/dbraw/zinc/15/94/82/1031159482.db2.gz PBZLAYCJQIYVML-VQIMIIECSA-N 0 3 312.457 3.534 20 30 DHEDHN C=CCCn1cc(CN2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)nn1 ZINC000653712466 1031166229 /nfs/dbraw/zinc/16/62/29/1031166229.db2.gz GLJVJJFQCFWMJV-GJYPPUQNSA-N 0 3 310.445 3.621 20 30 DHEDHN N#Cc1cncc(CN(Cc2ccccc2)C2CCSCC2)c1 ZINC001144084802 1031234994 /nfs/dbraw/zinc/23/49/94/1031234994.db2.gz NFXZHIUEDBCEAZ-UHFFFAOYSA-N 0 3 323.465 3.851 20 30 DHEDHN CC(C)[C@H](C(=O)Nc1ccc(CCC#N)cc1)N1CCCCC1 ZINC000928405652 1031313332 /nfs/dbraw/zinc/31/33/32/1031313332.db2.gz GDEYXMQPKUBQEU-GOSISDBHSA-N 0 3 313.445 3.592 20 30 DHEDHN N#Cc1csc(CN(CCc2ccc(F)cc2)C2CC2)c1 ZINC000536674916 1031385882 /nfs/dbraw/zinc/38/58/82/1031385882.db2.gz HSFJRGCSBZCNRS-UHFFFAOYSA-N 0 3 300.402 3.966 20 30 DHEDHN C=CCC[C@@H](NCC1OCCO1)c1ccc(C(F)(F)F)cc1 ZINC000777728456 1031414698 /nfs/dbraw/zinc/41/46/98/1031414698.db2.gz ZFSZYSWOAQNRFL-CQSZACIVSA-N 0 3 315.335 3.675 20 30 DHEDHN C=C(C)COCCN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872049949 1031439180 /nfs/dbraw/zinc/43/91/80/1031439180.db2.gz XKAOPLLZRVRGRT-GFCCVEGCSA-N 0 3 310.419 3.560 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872052735 1031440433 /nfs/dbraw/zinc/44/04/33/1031440433.db2.gz SWEGVSSCUBCKKA-LBPRGKRZSA-N 0 3 310.419 3.560 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872076471 1031472722 /nfs/dbraw/zinc/47/27/22/1031472722.db2.gz LUFQHOIIOFVVJF-GLQYFDAESA-N 0 3 322.430 3.701 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2oc(=O)[nH]c2c1 ZINC000872123035 1031512275 /nfs/dbraw/zinc/51/22/75/1031512275.db2.gz LGWSDOYAICDQSG-MRXNPFEDSA-N 0 3 319.364 3.572 20 30 DHEDHN CN(Cc1c[nH]c2nc(Cl)ccc12)Cc1cccc(C#N)c1 ZINC001144416518 1031557733 /nfs/dbraw/zinc/55/77/33/1031557733.db2.gz LDFZJDVWLWKGHN-UHFFFAOYSA-N 0 3 310.788 3.720 20 30 DHEDHN N#Cc1cncc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000929634401 1031564217 /nfs/dbraw/zinc/56/42/17/1031564217.db2.gz DXSODWWICDCVGI-UHFFFAOYSA-N 0 3 307.397 3.604 20 30 DHEDHN N#Cc1cncc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)c1 ZINC000929634401 1031564223 /nfs/dbraw/zinc/56/42/23/1031564223.db2.gz DXSODWWICDCVGI-UHFFFAOYSA-N 0 3 307.397 3.604 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cc(F)c(F)cc1F ZINC001171178893 1031571319 /nfs/dbraw/zinc/57/13/19/1031571319.db2.gz LNNXGHTXGRLOHE-LLVKDONJSA-N 0 3 304.315 3.696 20 30 DHEDHN C[C@@H]1C[C@H](CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)C[C@H](C)O1 ZINC000929758576 1031599890 /nfs/dbraw/zinc/59/98/90/1031599890.db2.gz ZKCVRQZCTGYVLQ-HDHSKVTNSA-N 0 3 312.457 3.962 20 30 DHEDHN COc1cc(F)c(CN[C@@H](C)Cc2cccc(C#N)c2)c(F)c1 ZINC001171185680 1031608418 /nfs/dbraw/zinc/60/84/18/1031608418.db2.gz RICRMGNKSZMZMY-LBPRGKRZSA-N 0 3 316.351 3.566 20 30 DHEDHN Cn1cc(CN2CCC(c3ccc(C#N)cc3)CC2)c(C2CC2)n1 ZINC000897588705 1031661564 /nfs/dbraw/zinc/66/15/64/1031661564.db2.gz LHAPEMPFXCZQRQ-UHFFFAOYSA-N 0 3 320.440 3.549 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)NCc2c(C)cc(C#N)cc2C)c1 ZINC000930192066 1031728442 /nfs/dbraw/zinc/72/84/42/1031728442.db2.gz VBNHLPKGBKVHDI-OAHLLOKOSA-N 0 3 321.424 3.984 20 30 DHEDHN C=CCC(CC=C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873033 1031748739 /nfs/dbraw/zinc/74/87/39/1031748739.db2.gz BEUWJVHOMXXUGU-MLGOLLRUSA-N 0 3 321.348 3.844 20 30 DHEDHN C=CCC[C@@H](NCC(=O)NCc1cccc(C)c1)c1ccccc1 ZINC000561161620 1031757383 /nfs/dbraw/zinc/75/73/83/1031757383.db2.gz XFNRVFSGNPMUKD-HXUWFJFHSA-N 0 3 322.452 3.908 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cc(N)cc(F)c1 ZINC000873288474 1031790811 /nfs/dbraw/zinc/79/08/11/1031790811.db2.gz GPIJEVLFUZWMNI-LJQANCHMSA-N 0 3 309.388 3.837 20 30 DHEDHN CSc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)s1 ZINC000846007080 1031804044 /nfs/dbraw/zinc/80/40/44/1031804044.db2.gz MTXQHVYBJZRRCC-OAHLLOKOSA-N 0 3 318.467 3.507 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1OC ZINC000846108338 1031859282 /nfs/dbraw/zinc/85/92/82/1031859282.db2.gz PFNKSXQDUCXKLM-QGZVFWFLSA-N 0 3 323.383 3.881 20 30 DHEDHN N#Cc1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000930610305 1031886729 /nfs/dbraw/zinc/88/67/29/1031886729.db2.gz CNGVKNDFRXFUFF-KURKYZTESA-N 0 3 318.848 3.727 20 30 DHEDHN C=CCOc1ccccc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846145861 1031907517 /nfs/dbraw/zinc/90/75/17/1031907517.db2.gz OLVCYCBHDJQVDO-AWEZNQCLSA-N 0 3 313.397 3.816 20 30 DHEDHN CCCCCCN1CCN([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171221023 1031957834 /nfs/dbraw/zinc/95/78/34/1031957834.db2.gz HIHWBJFRSAWDTI-GOSISDBHSA-N 0 3 313.489 3.687 20 30 DHEDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1CC1CCC(C#N)CC1 ZINC000930844603 1031965842 /nfs/dbraw/zinc/96/58/42/1031965842.db2.gz FHBJIHABVHZYOI-PRLABOORSA-N 0 3 306.450 3.511 20 30 DHEDHN C[C@@H](Oc1ccc([C@H](C)NC[C@H](O)CC#N)cc1)c1ccccc1 ZINC000930967470 1031996577 /nfs/dbraw/zinc/99/65/77/1031996577.db2.gz JNJOZBIJNJQPQQ-FRQCXROJSA-N 0 3 324.424 3.752 20 30 DHEDHN C[C@H](NC[C@H](O)CC#N)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000930967473 1031997088 /nfs/dbraw/zinc/99/70/88/1031997088.db2.gz JNJOZBIJNJQPQQ-TXPKVOOTSA-N 0 3 324.424 3.752 20 30 DHEDHN C=CCc1cc(CN[C@H](c2ccncc2)C2CC2)cc(OC)c1O ZINC000898324437 1032022010 /nfs/dbraw/zinc/02/20/10/1032022010.db2.gz HSETZROVGOAANC-IBGZPJMESA-N 0 3 324.424 3.765 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000898324155 1032023285 /nfs/dbraw/zinc/02/32/85/1032023285.db2.gz CHXJLEBISHFQKT-AUUYWEPGSA-N 0 3 307.397 3.613 20 30 DHEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000539294801 1033316671 /nfs/dbraw/zinc/31/66/71/1033316671.db2.gz IDMQYERCGQNVEQ-VHSXEESVSA-N 0 3 306.208 3.968 20 30 DHEDHN CCC[C@@H]1CN(Cc2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC000539402284 1033347902 /nfs/dbraw/zinc/34/79/02/1033347902.db2.gz FRTXOLAQRYFNNE-GOSISDBHSA-N 0 3 323.440 3.638 20 30 DHEDHN C[C@H](NC[C@@](C)(O)C1CCCCC1)c1ccc(C#N)cc1F ZINC000477869487 1033362152 /nfs/dbraw/zinc/36/21/52/1033362152.db2.gz ZPRZHLLJZQLHSL-SCLBCKFNSA-N 0 3 304.409 3.679 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1CC[C@@H](c2ccco2)C1)c1ccccc1 ZINC000878094758 1033576948 /nfs/dbraw/zinc/57/69/48/1033576948.db2.gz YDPLODZJHIPXAM-XLIONFOSSA-N 0 3 322.408 3.510 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](c2ccco2)C1)c1ccccc1 ZINC000878094756 1033577036 /nfs/dbraw/zinc/57/70/36/1033577036.db2.gz YDPLODZJHIPXAM-FXAWDEMLSA-N 0 3 322.408 3.510 20 30 DHEDHN C#CC[C@@H](NCc1ccc(C)c(C(=O)OC)c1)c1ccccc1 ZINC000878363148 1033675309 /nfs/dbraw/zinc/67/53/09/1033675309.db2.gz SHARBOUHTMEMDK-LJQANCHMSA-N 0 3 307.393 3.636 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1CCC(C)(C2CC2)CC1)c1ccccc1 ZINC000878629733 1033772575 /nfs/dbraw/zinc/77/25/75/1033772575.db2.gz IYDFAQFCWNWEOB-NRFANRHFSA-N 0 3 324.468 3.939 20 30 DHEDHN CC1(C#N)CCC(N(Cc2cccnc2)Cc2cccnc2)CC1 ZINC001173596096 1033782354 /nfs/dbraw/zinc/78/23/54/1033782354.db2.gz JIZUBEVJACFVPT-UHFFFAOYSA-N 0 3 320.440 3.951 20 30 DHEDHN CCCN(C)c1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000118911920 1033833132 /nfs/dbraw/zinc/83/31/32/1033833132.db2.gz LTWAXJFSDLTSHP-HNNXBMFYSA-N 0 3 313.426 3.788 20 30 DHEDHN C=CCC1(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CCC1 ZINC000479628796 1033839141 /nfs/dbraw/zinc/83/91/41/1033839141.db2.gz YMYHVEXWADPBJR-AEFFLSMTSA-N 0 3 312.457 3.685 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000862444301 1033858377 /nfs/dbraw/zinc/85/83/77/1033858377.db2.gz UXVKOZUVFBKORD-HZSPNIEDSA-N 0 3 308.372 3.701 20 30 DHEDHN C#CC[C@H](CCOC)N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000862548422 1033886015 /nfs/dbraw/zinc/88/60/15/1033886015.db2.gz FTLBWIHXILQFFZ-QFBILLFUSA-N 0 3 308.425 3.828 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878991858 1033886949 /nfs/dbraw/zinc/88/69/49/1033886949.db2.gz PFQDJVCXMJGKJF-ZCNNSNEGSA-N 0 3 308.425 3.610 20 30 DHEDHN CC(C)(NCCCSCC#N)c1nc2cc(Cl)ccc2o1 ZINC000879159248 1033940034 /nfs/dbraw/zinc/94/00/34/1033940034.db2.gz ROZLLVLBMNMKGV-UHFFFAOYSA-N 0 3 323.849 3.953 20 30 DHEDHN N#Cc1ccc(CNC[C@H](c2ccco2)N2CCCCC2)s1 ZINC000176941344 1034123595 /nfs/dbraw/zinc/12/35/95/1034123595.db2.gz KGILGFXCCCLZSL-MRXNPFEDSA-N 0 3 315.442 3.530 20 30 DHEDHN CC(C)OC(=O)C[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000184494950 1034481241 /nfs/dbraw/zinc/48/12/41/1034481241.db2.gz QFCSHPLSHCEFMB-DOTOQJQBSA-N 0 3 314.429 3.673 20 30 DHEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)c(Br)c1 ZINC000481030054 1034561371 /nfs/dbraw/zinc/56/13/71/1034561371.db2.gz DMMFDQRIJWQFOL-OKILXGFUSA-N 0 3 319.246 3.943 20 30 DHEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865521955 1034689994 /nfs/dbraw/zinc/68/99/94/1034689994.db2.gz KDZZZJZBPRKXAG-UHFFFAOYSA-N 0 3 311.332 3.595 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000481713471 1034949464 /nfs/dbraw/zinc/94/94/64/1034949464.db2.gz CYVKOLMPNWLGIS-MSOLQXFVSA-N 0 3 305.849 3.875 20 30 DHEDHN CC(C)C[C@H]1OCCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000481748828 1034963912 /nfs/dbraw/zinc/96/39/12/1034963912.db2.gz JYJGMQBTWVNYSM-ZWKOTPCHSA-N 0 3 305.849 3.875 20 30 DHEDHN COc1cc(Cl)ccc1CN(C)CCc1cccc(C#N)c1 ZINC001175533399 1035029267 /nfs/dbraw/zinc/02/92/67/1035029267.db2.gz WGHTXMPKGMBJJH-UHFFFAOYSA-N 0 3 314.816 3.895 20 30 DHEDHN CCN1CCN(c2ccc(Nc3ccc(CC#N)cc3)cc2)CC1 ZINC001175780608 1035119575 /nfs/dbraw/zinc/11/95/75/1035119575.db2.gz LDDPYCDGJMSKFU-UHFFFAOYSA-N 0 3 320.440 3.638 20 30 DHEDHN CC(C)c1ccc2c(c1)CCN(C[C@H](O)CC1(C#N)CCC1)C2 ZINC001177027492 1035344437 /nfs/dbraw/zinc/34/44/37/1035344437.db2.gz LTZCFUFBHJVMBS-LJQANCHMSA-N 0 3 312.457 3.613 20 30 DHEDHN CC[C@H](CSC)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000773700752 1035386151 /nfs/dbraw/zinc/38/61/51/1035386151.db2.gz AGFQLEULXFCOCE-CQSZACIVSA-N 0 3 312.866 3.816 20 30 DHEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000773770614 1035448095 /nfs/dbraw/zinc/44/80/95/1035448095.db2.gz OJONKNVZRQDAPM-KRWDZBQOSA-N 0 3 324.424 3.652 20 30 DHEDHN C=CCNCc1cc(-c2cnn([C@@H]3CCCCO3)c2)ccc1F ZINC000904808999 1035455746 /nfs/dbraw/zinc/45/57/46/1035455746.db2.gz DMFLYANZINVHPV-SFHVURJKSA-N 0 3 315.392 3.664 20 30 DHEDHN COc1cc(CNCc2ccc(CC#N)cc2)ccc1Cl ZINC001179027982 1035462693 /nfs/dbraw/zinc/46/26/93/1035462693.db2.gz GXJIUWWAXAFDSB-UHFFFAOYSA-N 0 3 300.789 3.704 20 30 DHEDHN N#Cc1ccc2c(c1)C[C@H](NCc1c(F)cccc1Cl)C2 ZINC001179419645 1035478855 /nfs/dbraw/zinc/47/88/55/1035478855.db2.gz PWPRZYATVWRPJJ-CQSZACIVSA-N 0 3 300.764 3.608 20 30 DHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1cccc2ccccc21)C1CC1 ZINC000176532278 1035543860 /nfs/dbraw/zinc/54/38/60/1035543860.db2.gz KSGLPTNJQOWHTL-WBMJQRKESA-N 0 3 306.365 3.533 20 30 DHEDHN C#C[C@H](N[C@@H](C)c1ccc2cc(OC)ccc2c1)[C@H]1CCCO1 ZINC000775575339 1035562829 /nfs/dbraw/zinc/56/28/29/1035562829.db2.gz VXMXPWCKAMSCDA-PNHOKKKMSA-N 0 3 309.409 3.680 20 30 DHEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(CCC2CCCC2)CC1 ZINC001193324842 1035605460 /nfs/dbraw/zinc/60/54/60/1035605460.db2.gz TWRNTVFWPDRNSH-LJQANCHMSA-N 0 3 315.436 3.588 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1ccc2oc(=O)oc2c1 ZINC001180279853 1035643327 /nfs/dbraw/zinc/64/33/27/1035643327.db2.gz CYNJCYWGAOQHPN-UHFFFAOYSA-N 0 3 309.365 3.617 20 30 DHEDHN C[C@@H](CCC#N)CN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001180412619 1035676832 /nfs/dbraw/zinc/67/68/32/1035676832.db2.gz BOLBNCPVZVNFEI-AWEZNQCLSA-N 0 3 323.843 3.537 20 30 DHEDHN COc1ccc([C@H](C)CN(C)Cc2cc(C#N)ccc2F)cc1 ZINC000539407990 1035723418 /nfs/dbraw/zinc/72/34/18/1035723418.db2.gz TVUMIQHJRSJHPB-CQSZACIVSA-N 0 3 312.388 3.941 20 30 DHEDHN N#Cc1ccc(C2CCN([C@@H]3C[C@@H]3c3cccc(F)c3)CC2)nc1 ZINC000906588917 1036014108 /nfs/dbraw/zinc/01/41/08/1036014108.db2.gz IOXJFVXJAVDKRC-UYAOXDASSA-N 0 3 321.399 3.828 20 30 DHEDHN CCCCN(CC#Cc1ccc(C(F)(F)F)cc1)CCCO ZINC000540426466 1036065420 /nfs/dbraw/zinc/06/54/20/1036065420.db2.gz GNKZFTAVSRBQBB-UHFFFAOYSA-N 0 3 313.363 3.541 20 30 DHEDHN CCN(CC)[C@H](C/N=C/c1cccc(O)c1O)c1ccsc1 ZINC000032070400 1036069718 /nfs/dbraw/zinc/06/97/18/1036069718.db2.gz KSIIRCHBCGDMOY-BFERYNQYSA-N 0 3 318.442 3.661 20 30 DHEDHN Cc1cc(C#N)cc(C(=O)NCCP(C(C)C)C(C)C)c1 ZINC001195448575 1036245832 /nfs/dbraw/zinc/24/58/32/1036245832.db2.gz SEBFOYPFCZUAEL-UHFFFAOYSA-N 0 3 304.374 3.895 20 30 DHEDHN CC[C@H](NCc1nnc(-c2ccccc2)[nH]1)c1ccc(C#N)cc1 ZINC000774311549 1036283227 /nfs/dbraw/zinc/28/32/27/1036283227.db2.gz FIWJBAFZZPTFJU-KRWDZBQOSA-N 0 3 317.396 3.584 20 30 DHEDHN CC[C@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1ccc(C#N)cc1 ZINC000774311549 1036283243 /nfs/dbraw/zinc/28/32/43/1036283243.db2.gz FIWJBAFZZPTFJU-KRWDZBQOSA-N 0 3 317.396 3.584 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](CC(C)C)c1cccs1 ZINC000541626197 1036389944 /nfs/dbraw/zinc/38/99/44/1036389944.db2.gz ICOZOSMJHZFLKC-HNNXBMFYSA-N 0 3 308.491 3.850 20 30 DHEDHN C=CC[C@@H]1CCCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001195946701 1036400565 /nfs/dbraw/zinc/40/05/65/1036400565.db2.gz MMYDVVUCGYLTLY-PBHICJAKSA-N 0 3 318.848 3.733 20 30 DHEDHN CCN(Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)c(C)c1 ZINC000486793456 1036411987 /nfs/dbraw/zinc/41/19/87/1036411987.db2.gz JAAQQXFKVGSNFV-UHFFFAOYSA-N 0 3 308.381 3.618 20 30 DHEDHN C=CCSCCN[C@H](C)c1ccc(F)cc1OC(F)F ZINC000541897425 1036454007 /nfs/dbraw/zinc/45/40/07/1036454007.db2.gz MQYSPPFDYOQTLE-SNVBAGLBSA-N 0 3 305.365 3.997 20 30 DHEDHN N#Cc1cccc(C2(NC[C@@H](O)c3ccccc3Cl)CC2)c1 ZINC000271854075 1036593502 /nfs/dbraw/zinc/59/35/02/1036593502.db2.gz YASKBOFXCLKBFD-QGZVFWFLSA-N 0 3 312.800 3.524 20 30 DHEDHN C[C@@H](NCc1ccc(N2CCCCC2)nc1)c1cccc(C#N)c1 ZINC000271854337 1036593696 /nfs/dbraw/zinc/59/36/96/1036593696.db2.gz JACPZNPMBZNCEZ-MRXNPFEDSA-N 0 3 320.440 3.794 20 30 DHEDHN COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000487822028 1036738511 /nfs/dbraw/zinc/73/85/11/1036738511.db2.gz PBZNGDGNEACNSK-CQSZACIVSA-N 0 3 310.397 3.768 20 30 DHEDHN CCSc1ccccc1C[C@H](C)NCC1(C#N)CCOCC1 ZINC001184290319 1036805282 /nfs/dbraw/zinc/80/52/82/1036805282.db2.gz KAHFNNBKUOLMBQ-HNNXBMFYSA-N 0 3 318.486 3.640 20 30 DHEDHN COc1cc(CN(Cc2ccc(C#N)c(C)c2)C2CC2)ccc1O ZINC000488132035 1036864880 /nfs/dbraw/zinc/86/48/80/1036864880.db2.gz HLMIXFOJGABSAB-UHFFFAOYSA-N 0 3 322.408 3.746 20 30 DHEDHN C=CCC1(O)CCN(Cc2cccc(OCC(C)C)c2)CC1 ZINC001197920687 1036907103 /nfs/dbraw/zinc/90/71/03/1036907103.db2.gz GPTOGMNUFNIHSD-UHFFFAOYSA-N 0 3 303.446 3.624 20 30 DHEDHN C#CCN(C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H]1CCCc2ccccc21 ZINC001198104880 1036953067 /nfs/dbraw/zinc/95/30/67/1036953067.db2.gz VEAPCSXHLSBXAL-FMWKFLBASA-N 0 3 309.453 3.957 20 30 DHEDHN COc1ccc(CNCc2ccc(C#N)c(C)c2)cc1Cl ZINC000444002226 1037004225 /nfs/dbraw/zinc/00/42/25/1037004225.db2.gz FBQCCJXWPWRRME-UHFFFAOYSA-N 0 3 300.789 3.819 20 30 DHEDHN COc1cc(CNCc2ccc(C#N)c(C)c2)c2ccccc2n1 ZINC000444002991 1037007134 /nfs/dbraw/zinc/00/71/34/1037007134.db2.gz QPGGBYDQGBIFEK-UHFFFAOYSA-N 0 3 317.392 3.713 20 30 DHEDHN N#Cc1ccc(Br)c(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000492814315 1037027937 /nfs/dbraw/zinc/02/79/37/1037027937.db2.gz ADFBPNJDFMFSJZ-DOMZBBRYSA-N 0 3 305.219 3.695 20 30 DHEDHN CSc1ccc(CNCCSCc2ccccc2C#N)o1 ZINC001199027480 1037193944 /nfs/dbraw/zinc/19/39/44/1037193944.db2.gz DTIYRNSLYRUKGL-UHFFFAOYSA-N 0 3 318.467 3.896 20 30 DHEDHN C=CCOc1ccccc1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000177341705 1037230409 /nfs/dbraw/zinc/23/04/09/1037230409.db2.gz FMAYVVCJEMUUJF-UHFFFAOYSA-N 0 3 324.424 3.874 20 30 DHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000911882887 1037232345 /nfs/dbraw/zinc/23/23/45/1037232345.db2.gz KYYRROJQHXOWNI-QGZVFWFLSA-N 0 3 319.449 3.661 20 30 DHEDHN CCN(Cc1ccc(Br)cc1C#N)CC1CCC1 ZINC000311216138 1037287133 /nfs/dbraw/zinc/28/71/33/1037287133.db2.gz RUTDBNBRMDCSJI-UHFFFAOYSA-N 0 3 307.235 3.943 20 30 DHEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccccc1COC ZINC000912403224 1037376262 /nfs/dbraw/zinc/37/62/62/1037376262.db2.gz BRXSLDIZWUGUTM-INIZCTEOSA-N 0 3 306.450 3.849 20 30 DHEDHN C=CC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccncc1 ZINC000776155837 1037605187 /nfs/dbraw/zinc/60/51/87/1037605187.db2.gz IZTIKWJVWIWUJN-HNAYVOBHSA-N 0 3 307.397 3.952 20 30 DHEDHN CSc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccn1 ZINC000776164853 1037639452 /nfs/dbraw/zinc/63/94/52/1037639452.db2.gz VZVVIRNVUJXDPW-CYBMUJFWSA-N 0 3 313.426 3.557 20 30 DHEDHN C[C@H](NC[C@@H](O)c1c(F)cccc1Cl)c1cccc(C#N)c1 ZINC000776164554 1037641548 /nfs/dbraw/zinc/64/15/48/1037641548.db2.gz JASSYEBJGUZNNL-MEDUHNTESA-N 0 3 318.779 3.735 20 30 DHEDHN CN(C)c1ccncc1C=[NH+][N-]c1nc(-c2ccccc2)cs1 ZINC000776185055 1037694639 /nfs/dbraw/zinc/69/46/39/1037694639.db2.gz DWCZCHMZBCVXRN-UHFFFAOYSA-N 0 3 323.425 3.717 20 30 DHEDHN CCCN(Cc1ccccc1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763409913 1037828128 /nfs/dbraw/zinc/82/81/28/1037828128.db2.gz VGSRICMUHGODBI-LJQANCHMSA-N 0 3 312.388 3.643 20 30 DHEDHN CCCCCCCN1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001201776750 1037906019 /nfs/dbraw/zinc/90/60/19/1037906019.db2.gz JXZHNUGUILKKSD-JKSUJKDBSA-N 0 3 306.475 3.898 20 30 DHEDHN CCCCCCCCN1CCCN(C(=O)c2ccco2)CC1 ZINC001201840264 1037916985 /nfs/dbraw/zinc/91/69/85/1037916985.db2.gz RJKZRMRPVMKUAA-UHFFFAOYSA-N 0 3 306.450 3.788 20 30 DHEDHN C#C[C@@H](C)N(C)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000775184691 1037950136 /nfs/dbraw/zinc/95/01/36/1037950136.db2.gz XSETUCZMIBFIND-OAHLLOKOSA-N 0 3 309.409 3.824 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=CSc2ccccc2)nc(C)n1 ZINC000916880766 1038017866 /nfs/dbraw/zinc/01/78/66/1038017866.db2.gz XRUXQUULIMIWCL-WHLNPGIBSA-N 0 3 309.394 3.576 20 30 DHEDHN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)Nc2cccc(C)c2)C1(C)C ZINC000916896488 1038023032 /nfs/dbraw/zinc/02/30/32/1038023032.db2.gz INMZOXGEJJAFNT-ZACQAIPSSA-N 0 3 324.424 3.881 20 30 DHEDHN CCCCN(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917097479 1038192783 /nfs/dbraw/zinc/19/27/83/1038192783.db2.gz VUTMZLPLJNUXLC-ZDUSSCGKSA-N 0 3 315.442 3.595 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000588206845 1038273634 /nfs/dbraw/zinc/27/36/34/1038273634.db2.gz DJPJDZWGZBYAII-LJQANCHMSA-N 0 3 321.424 3.536 20 30 DHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000192998835 1038296927 /nfs/dbraw/zinc/29/69/27/1038296927.db2.gz RIGWDSPEGZALLO-UONOGXRCSA-N 0 3 308.381 3.741 20 30 DHEDHN C#CCN(C[C@@H]1CCC2(CCC2)CO1)[C@@H]1CCc2ccccc21 ZINC001190526457 1038335705 /nfs/dbraw/zinc/33/57/05/1038335705.db2.gz AFCDRJOFCXOFLW-AZUAARDMSA-N 0 3 309.453 3.958 20 30 DHEDHN CC(C)P(CCNC(=O)c1cccc(C#N)c1F)C(C)C ZINC001190555125 1038343734 /nfs/dbraw/zinc/34/37/34/1038343734.db2.gz RJJIKIGCMXWEDI-UHFFFAOYSA-N 0 3 308.337 3.726 20 30 DHEDHN C#CCOc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000775409048 1038374907 /nfs/dbraw/zinc/37/49/07/1038374907.db2.gz MFOMIIHFGOSOLL-HXUWFJFHSA-N 0 3 316.404 3.737 20 30 DHEDHN COc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1O ZINC000589343259 1038461332 /nfs/dbraw/zinc/46/13/32/1038461332.db2.gz FVYURLJVOMZNED-PXAZEXFGSA-N 0 3 308.381 3.611 20 30 DHEDHN COc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1O ZINC000589343261 1038461370 /nfs/dbraw/zinc/46/13/70/1038461370.db2.gz FVYURLJVOMZNED-SJKOYZFVSA-N 0 3 308.381 3.611 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(OC(F)F)cc1)CC2 ZINC000589337002 1038461518 /nfs/dbraw/zinc/46/15/18/1038461518.db2.gz BQXQCNYWDOTPOH-QGZVFWFLSA-N 0 3 314.335 3.937 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(-c2ccc(C)o2)cc1 ZINC001191215990 1038464004 /nfs/dbraw/zinc/46/40/04/1038464004.db2.gz LODRVIZSUQBCQF-SFHVURJKSA-N 0 3 324.424 3.635 20 30 DHEDHN CCCCCCC[C@H](C)NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001192926587 1038721941 /nfs/dbraw/zinc/72/19/41/1038721941.db2.gz JIUOJCXYNQQVDG-DZGCQCFKSA-N 0 3 324.490 3.719 20 30 DHEDHN C=C(C)COc1cc(CNCc2ccc(C#N)cc2)ccc1OC ZINC000057964259 1038794029 /nfs/dbraw/zinc/79/40/29/1038794029.db2.gz KFJMPFIIVDIFKE-UHFFFAOYSA-N 0 3 322.408 3.812 20 30 DHEDHN CCN(CC)[C@@H](CNC(=O)C(C#N)(CC)CC)c1ccsc1 ZINC000599065108 1039040389 /nfs/dbraw/zinc/04/03/89/1039040389.db2.gz OBSPXENGLDIKPI-HNNXBMFYSA-N 0 3 321.490 3.577 20 30 DHEDHN CCCN(Cc1ccncc1C#N)[C@@H]1CCc2ccccc2C1 ZINC000592061837 1039108777 /nfs/dbraw/zinc/10/87/77/1039108777.db2.gz SLCSIXICXBPOHZ-HXUWFJFHSA-N 0 3 305.425 3.723 20 30 DHEDHN N#CC1(C[C@H](O)CN[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000599327237 1039121518 /nfs/dbraw/zinc/12/15/18/1039121518.db2.gz RAYDUTPKXBTUEJ-RBUKOAKNSA-N 0 3 324.399 3.559 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NC2CCC(CCC)CC2)CC1 ZINC000592348705 1039172562 /nfs/dbraw/zinc/17/25/62/1039172562.db2.gz PHQJOTHPNLCBII-UHFFFAOYSA-N 0 3 321.509 3.685 20 30 DHEDHN N#Cc1cccc(OCCN(Cc2cccc(F)c2)C2CC2)c1 ZINC000603859138 1039192759 /nfs/dbraw/zinc/19/27/59/1039192759.db2.gz CSOTZOJYBVTDHF-UHFFFAOYSA-N 0 3 310.372 3.741 20 30 DHEDHN COc1cccc(C[C@H]2CCCN2Cc2ccccc2C#N)c1 ZINC000603867949 1039200295 /nfs/dbraw/zinc/20/02/95/1039200295.db2.gz GKACCOCKUFJTAB-LJQANCHMSA-N 0 3 306.409 3.774 20 30 DHEDHN C=CCC1(NCc2nnc(-c3ccc(C#N)cc3)o2)CCCCC1 ZINC000599610846 1039234508 /nfs/dbraw/zinc/23/45/08/1039234508.db2.gz VOZGHKQPWSSYCH-UHFFFAOYSA-N 0 3 322.412 3.977 20 30 DHEDHN N#CCCCOc1cccc(CN2CCC3(CC3(F)F)CC2)c1 ZINC000593674264 1039582338 /nfs/dbraw/zinc/58/23/38/1039582338.db2.gz XOEAMJYKJNOOCF-UHFFFAOYSA-N 0 3 320.383 3.990 20 30 DHEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000172113229 1039745753 /nfs/dbraw/zinc/74/57/53/1039745753.db2.gz FKLKXWUDBUDYHZ-OAHLLOKOSA-N 0 3 323.392 3.668 20 30 DHEDHN Cc1ccccc1[C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC000594433949 1039784572 /nfs/dbraw/zinc/78/45/72/1039784572.db2.gz VCRPQTSSWVMOPQ-IAGOWNOFSA-N 0 3 315.461 3.610 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000594425523 1039790884 /nfs/dbraw/zinc/79/08/84/1039790884.db2.gz KRUIOMZRQKNMMS-INIZCTEOSA-N 0 3 321.380 3.936 20 30 DHEDHN COC(=O)c1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)CCC2 ZINC000594493363 1039798398 /nfs/dbraw/zinc/79/83/98/1039798398.db2.gz FULBQEVGVFVHLI-IBGZPJMESA-N 0 3 320.392 3.512 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594499348 1039801679 /nfs/dbraw/zinc/80/16/79/1039801679.db2.gz GAPVONRWKKBXIW-ZWKOTPCHSA-N 0 3 319.364 3.731 20 30 DHEDHN CN1Cc2ccccc2[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594505568 1039802989 /nfs/dbraw/zinc/80/29/89/1039802989.db2.gz UUMTTYNWXARBDI-HXUWFJFHSA-N 0 3 319.452 3.764 20 30 DHEDHN N#CC1(c2ccc(CN[C@H](CCCO)c3ccccc3)cc2)CC1 ZINC000594921274 1039927568 /nfs/dbraw/zinc/92/75/68/1039927568.db2.gz KDVZYRSOPOAWLI-HXUWFJFHSA-N 0 3 320.436 3.845 20 30 DHEDHN COCc1cc(CNCc2ccc(C3(C#N)CC3)cc2)ccc1F ZINC000594925319 1039929836 /nfs/dbraw/zinc/92/98/36/1039929836.db2.gz ROSXWLRLLUCSMK-UHFFFAOYSA-N 0 3 324.399 3.817 20 30 DHEDHN COC[C@@H](C)Oc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000594930197 1039931096 /nfs/dbraw/zinc/93/10/96/1039931096.db2.gz UEBOUXRCEOUDRM-CVEARBPZSA-N 0 3 324.424 3.823 20 30 DHEDHN C=CCCSCCNCc1cnn(-c2ccccc2C)c1 ZINC000594968534 1039970701 /nfs/dbraw/zinc/97/07/01/1039970701.db2.gz RLHIJGKICWRDRH-UHFFFAOYSA-N 0 3 301.459 3.580 20 30 DHEDHN COc1cccc(C2(NCc3ccc(C#N)c(F)c3)CCC2)c1 ZINC000594998671 1040012313 /nfs/dbraw/zinc/01/23/13/1040012313.db2.gz YPJGFAUMESKMHG-UHFFFAOYSA-N 0 3 310.372 3.875 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NC[C@H](OC2CCCC2)C(F)(F)F)C1 ZINC000595071175 1040034724 /nfs/dbraw/zinc/03/47/24/1040034724.db2.gz AIPKSYVHWZQZHE-BZPMIXESSA-N 0 3 304.356 3.548 20 30 DHEDHN Cc1cc(Br)c(CN[C@H]2CCC[C@H](C#N)C2)s1 ZINC000595080357 1040073578 /nfs/dbraw/zinc/07/35/78/1040073578.db2.gz KRDJHLBNRLLLKV-QWRGUYRKSA-N 0 3 313.264 3.991 20 30 DHEDHN C[C@H](N[C@H]1C[C@H](Oc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000595089627 1040076839 /nfs/dbraw/zinc/07/68/39/1040076839.db2.gz UOPCFYJIYIACMR-QRTARXTBSA-N 0 3 310.372 3.958 20 30 DHEDHN CC(C)(C)OC(=O)[C@H]1CN(CCCCC#N)Cc2ccccc21 ZINC000595619161 1040192034 /nfs/dbraw/zinc/19/20/34/1040192034.db2.gz ULFDXJMMZURZDU-KRWDZBQOSA-N 0 3 314.429 3.621 20 30 DHEDHN N#CC[C@@H]1CCCN(Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000595616748 1040193590 /nfs/dbraw/zinc/19/35/90/1040193590.db2.gz XFHSMVIDEZNTTB-KRWDZBQOSA-N 0 3 321.424 3.786 20 30 DHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(C(=O)OCC)cs1 ZINC000595602169 1040201193 /nfs/dbraw/zinc/20/11/93/1040201193.db2.gz HFDFKQDKPYSQAD-OLZOCXBDSA-N 0 3 308.447 3.544 20 30 DHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595602620 1040201327 /nfs/dbraw/zinc/20/13/27/1040201327.db2.gz JFQRQNMDSKQFFG-NVXWUHKLSA-N 0 3 322.412 3.833 20 30 DHEDHN N#CC[C@@H]1CCCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000595614301 1040207049 /nfs/dbraw/zinc/20/70/49/1040207049.db2.gz KAQDDVIUHWICEL-ZDUSSCGKSA-N 0 3 312.335 3.753 20 30 DHEDHN COC[C@@H](NCCC1(C#N)CCCCC1)c1cccc(OC)c1 ZINC000595683353 1040210220 /nfs/dbraw/zinc/21/02/20/1040210220.db2.gz HSTBJRVATQQJCF-GOSISDBHSA-N 0 3 316.445 3.836 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000595845407 1040262913 /nfs/dbraw/zinc/26/29/13/1040262913.db2.gz NQOYNLIXIGLCRH-OKILXGFUSA-N 0 3 305.805 3.810 20 30 DHEDHN CN(Cc1cnc2ccc(C#N)cn12)[C@H]1CCCc2ccccc21 ZINC000534333038 1040807749 /nfs/dbraw/zinc/80/77/49/1040807749.db2.gz GBRQPCDRYYDNQB-IBGZPJMESA-N 0 3 316.408 3.715 20 30 DHEDHN N#CCC[C@H](C#N)CNC[C@]1(Cc2ccccc2)C=CCCC1 ZINC000601938155 1040837957 /nfs/dbraw/zinc/83/79/57/1040837957.db2.gz XLRSSQQJDSPGNB-WOJBJXKFSA-N 0 3 307.441 3.989 20 30 DHEDHN N#CCC[C@@H](C#N)CNC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC000601938152 1040838003 /nfs/dbraw/zinc/83/80/03/1040838003.db2.gz XLRSSQQJDSPGNB-PMACEKPBSA-N 0 3 307.441 3.989 20 30 DHEDHN CSc1ccc(F)cc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602563736 1041098860 /nfs/dbraw/zinc/09/88/60/1041098860.db2.gz ZCRWXDDLTWUGMY-CYBMUJFWSA-N 0 3 322.449 3.736 20 30 DHEDHN CC(C)CN(Cc1cccc(C#N)n1)[C@H]1CCCc2cccnc21 ZINC000602615172 1041115632 /nfs/dbraw/zinc/11/56/32/1041115632.db2.gz ILIXJDGSFLUOSZ-IBGZPJMESA-N 0 3 320.440 3.884 20 30 DHEDHN CC(C)CN(Cc1cccc(C#N)n1)[C@@H]1CCCc2cccnc21 ZINC000602615174 1041116631 /nfs/dbraw/zinc/11/66/31/1041116631.db2.gz ILIXJDGSFLUOSZ-LJQANCHMSA-N 0 3 320.440 3.884 20 30 DHEDHN CCc1csc(CC2CCN(CC3(CC#N)CC3)CC2)n1 ZINC000602872283 1041277206 /nfs/dbraw/zinc/27/72/06/1041277206.db2.gz BSSWBKJNGBYZHL-UHFFFAOYSA-N 0 3 303.475 3.654 20 30 DHEDHN COc1cc(CN2CCC(c3ccc(C#N)cn3)CC2)ccc1C ZINC000602905764 1041303888 /nfs/dbraw/zinc/30/38/88/1041303888.db2.gz BCDSKTGBYPBLMF-UHFFFAOYSA-N 0 3 321.424 3.650 20 30 DHEDHN CCC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)cc1F ZINC000598600867 1041344539 /nfs/dbraw/zinc/34/45/39/1041344539.db2.gz HERRILXQQKHORX-CZUORRHYSA-N 0 3 310.388 3.696 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000097059932 185405115 /nfs/dbraw/zinc/40/51/15/185405115.db2.gz RIUKAAVEDNAAMZ-SJLPKXTDSA-N 0 3 302.462 3.786 20 30 DHEDHN C=C[C@@H](C)NCc1ccc(Br)c(Br)c1 ZINC000130840455 341048660 /nfs/dbraw/zinc/04/86/60/341048660.db2.gz MEWWUAJBWCLPNC-MRVPVSSYSA-N 0 3 319.040 3.876 20 30 DHEDHN CCN(CC)Cc1cccc(NC(=O)c2cc(C#N)cs2)c1 ZINC000084077068 192399953 /nfs/dbraw/zinc/39/99/53/192399953.db2.gz HCZWMZYUHWRZPG-UHFFFAOYSA-N 0 3 313.426 3.714 20 30 DHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(-c2cccs2)n1 ZINC000280696303 334969711 /nfs/dbraw/zinc/96/97/11/334969711.db2.gz SASRTQDVLCCJJI-IUODEOHRSA-N 0 3 320.483 3.942 20 30 DHEDHN CC(C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 ZINC000072600918 191200039 /nfs/dbraw/zinc/20/00/39/191200039.db2.gz AAHFVSFOOFBAPU-UHFFFAOYSA-N 0 3 310.401 3.761 20 30 DHEDHN C(#Cc1ccccc1)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192160763 335026968 /nfs/dbraw/zinc/02/69/68/335026968.db2.gz UTDCXOQJSDGXMR-FPOVZHCZSA-N 0 3 305.421 3.796 20 30 DHEDHN C=CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000286375657 335033457 /nfs/dbraw/zinc/03/34/57/335033457.db2.gz ALBALESYPNWBMD-CQSZACIVSA-N 0 3 313.397 3.816 20 30 DHEDHN C=CCOc1ccc(CN[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000286375657 335033459 /nfs/dbraw/zinc/03/34/59/335033459.db2.gz ALBALESYPNWBMD-CQSZACIVSA-N 0 3 313.397 3.816 20 30 DHEDHN C=CCC[C@@H](NC1CCN(c2cc(C)[nH]n2)CC1)c1ccco1 ZINC000287665920 335046570 /nfs/dbraw/zinc/04/65/70/335046570.db2.gz VOJGYUXSDZSLRB-MRXNPFEDSA-N 0 3 314.433 3.577 20 30 DHEDHN C=C(CNC(=O)Nc1ccccc1CCN(C)C)c1ccccc1 ZINC000287432750 335046169 /nfs/dbraw/zinc/04/61/69/335046169.db2.gz VROMZQXBHDJMOZ-UHFFFAOYSA-N 0 3 323.440 3.626 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(COCC(F)(F)F)cc2)C1 ZINC000442717756 335047394 /nfs/dbraw/zinc/04/73/94/335047394.db2.gz KJXXEBYDEXRXBL-LSDHHAIUSA-N 0 3 312.335 3.547 20 30 DHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)[C@H]1OCCc2sccc21 ZINC000292282108 131639276 /nfs/dbraw/zinc/63/92/76/131639276.db2.gz BUJUZAQRNFTTTR-APPDUMDISA-N 0 3 316.401 3.551 20 30 DHEDHN C=C[C@@H](CO)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000289766050 335065237 /nfs/dbraw/zinc/06/52/37/335065237.db2.gz LYDLGLABJLXOLR-HZMBPMFUSA-N 0 3 322.861 3.969 20 30 DHEDHN CCCN(CC1(C#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000343319000 335075945 /nfs/dbraw/zinc/07/59/45/335075945.db2.gz HUNQXTYENGEMGP-IBGZPJMESA-N 0 3 311.473 3.667 20 30 DHEDHN C#Cc1ccc(CN[C@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000291580355 335081611 /nfs/dbraw/zinc/08/16/11/335081611.db2.gz OTWQESGDAILAFP-NRFANRHFSA-N 0 3 317.432 3.852 20 30 DHEDHN Cc1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cs1 ZINC000449023130 332771779 /nfs/dbraw/zinc/77/17/79/332771779.db2.gz NSEDEWZCCMXACK-UHFFFAOYSA-N 0 3 312.438 3.972 20 30 DHEDHN C=CC[C@H](CO)N[C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000186709210 331469363 /nfs/dbraw/zinc/46/93/63/331469363.db2.gz HULSIKPTDVTZLP-WCQYABFASA-N 0 3 320.433 3.845 20 30 DHEDHN CC(C)[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(F)cc1 ZINC000556584665 331716895 /nfs/dbraw/zinc/71/68/95/331716895.db2.gz XVIKPKMTAGPWPD-IBGZPJMESA-N 0 3 322.387 3.832 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC(Nc2ccccn2)CC1 ZINC000568171023 331725058 /nfs/dbraw/zinc/72/50/58/331725058.db2.gz LXVPNOSIUWGTND-UHFFFAOYSA-N 0 3 300.450 3.678 20 30 DHEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(C2CC2)cc1 ZINC000557201415 331776314 /nfs/dbraw/zinc/77/63/14/331776314.db2.gz RJYWCVNHPUUZQS-CQSZACIVSA-N 0 3 316.408 3.934 20 30 DHEDHN CN(CCC#N)c1ccc(CNCc2cccc(Cl)c2)cc1 ZINC000072659129 331931620 /nfs/dbraw/zinc/93/16/20/331931620.db2.gz NGYZJRAVUBHJCK-UHFFFAOYSA-N 0 3 313.832 3.980 20 30 DHEDHN C=CCC[C@H](CCC)NCc1cc(C)nc(N2CCCC2)n1 ZINC000426299355 332036433 /nfs/dbraw/zinc/03/64/33/332036433.db2.gz VIBGLQGOJGHDAQ-INIZCTEOSA-N 0 3 302.466 3.610 20 30 DHEDHN C=CCC[C@H](O)CN1CC=C(c2ccc(OCC)cc2)CC1 ZINC000091813472 332088599 /nfs/dbraw/zinc/08/85/99/332088599.db2.gz UBARLYATNRQROL-SFHVURJKSA-N 0 3 301.430 3.502 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@H]1CC)C(C)C ZINC000410126225 332090252 /nfs/dbraw/zinc/09/02/52/332090252.db2.gz WWCLVZMVRBRHCP-MSOLQXFVSA-N 0 3 321.509 3.659 20 30 DHEDHN CCN(CC(=O)Nc1c(C)cccc1C)CC(C)(C)CCC#N ZINC000093660555 332141340 /nfs/dbraw/zinc/14/13/40/332141340.db2.gz WJORDJYOEAHGNE-UHFFFAOYSA-N 0 3 315.461 3.894 20 30 DHEDHN C=CC[C@H](C(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000427001298 332165183 /nfs/dbraw/zinc/16/51/83/332165183.db2.gz ISVYKOCWMPZBTF-SCTDSRPQSA-N 0 3 314.473 3.725 20 30 DHEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c(Br)c1 ZINC000181144950 332186453 /nfs/dbraw/zinc/18/64/53/332186453.db2.gz JZQNJRMDAZHJCV-STQMWFEESA-N 0 3 305.219 3.553 20 30 DHEDHN C#CCCOc1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000292897595 335097214 /nfs/dbraw/zinc/09/72/14/335097214.db2.gz ZOMWOWOIHIQFJF-SJORKVTESA-N 0 3 305.368 3.566 20 30 DHEDHN Clc1ccccc1C#CCN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000573840353 332282457 /nfs/dbraw/zinc/28/24/57/332282457.db2.gz UZXKQJBZNIGSPP-SJLPKXTDSA-N 0 3 303.833 3.583 20 30 DHEDHN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(CC#N)cc1 ZINC000564963668 332306525 /nfs/dbraw/zinc/30/65/25/332306525.db2.gz KJBSQXHGDQSHHF-KRWDZBQOSA-N 0 3 310.372 3.677 20 30 DHEDHN COCc1ccccc1CNCc1cccc(OCCCC#N)c1 ZINC000237175946 332318509 /nfs/dbraw/zinc/31/85/09/332318509.db2.gz YRWQKNALQTUNLE-UHFFFAOYSA-N 0 3 324.424 3.805 20 30 DHEDHN CCCN(CCC)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000560688004 332377821 /nfs/dbraw/zinc/37/78/21/332377821.db2.gz GWLIGZFLKKETTB-LBPRGKRZSA-N 0 3 307.825 3.661 20 30 DHEDHN N#CCCCCNCc1cc(Cl)ccc1Br ZINC000164949662 332991742 /nfs/dbraw/zinc/99/17/42/332991742.db2.gz UODMVSQGXYLMAI-UHFFFAOYSA-N 0 3 301.615 3.886 20 30 DHEDHN CCN(CC#Cc1cccc(Cl)c1)[C@@H]1CCOC(C)(C)C1 ZINC000580248995 333040810 /nfs/dbraw/zinc/04/08/10/333040810.db2.gz YKHPWOSCSFQQDK-QGZVFWFLSA-N 0 3 305.849 3.971 20 30 DHEDHN N#Cc1ccc([C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000177991171 333134254 /nfs/dbraw/zinc/13/42/54/333134254.db2.gz ITKRBPZIEUOTCQ-HXUWFJFHSA-N 0 3 322.383 3.520 20 30 DHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1N(C)C ZINC000563886456 335124221 /nfs/dbraw/zinc/12/42/21/335124221.db2.gz LFLCJBOWQRONCY-AWEZNQCLSA-N 0 3 311.404 3.809 20 30 DHEDHN C=CCC[C@H](O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180570937 333163437 /nfs/dbraw/zinc/16/34/37/333163437.db2.gz SHFAMWKVJNRVLD-KBPBESRZSA-N 0 3 305.315 3.736 20 30 DHEDHN Cc1ccccc1OCCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000181607069 333170752 /nfs/dbraw/zinc/17/07/52/333170752.db2.gz QTGITVLBRPDVTQ-MRXNPFEDSA-N 0 3 310.397 3.627 20 30 DHEDHN COc1cc(CNC[C@H]2CC[C@H](c3ccccc3)O2)ccc1C#N ZINC000367407674 333209227 /nfs/dbraw/zinc/20/92/27/333209227.db2.gz IZYZRRQJBXWJFQ-RTBURBONSA-N 0 3 322.408 3.577 20 30 DHEDHN CC[C@@H](C)C(=O)Nc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185791723 333213977 /nfs/dbraw/zinc/21/39/77/333213977.db2.gz AATGNAZLZBXAGO-VYDXJSESSA-N 0 3 313.445 3.843 20 30 DHEDHN CC(C)CC(=O)Nc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185801458 333214294 /nfs/dbraw/zinc/21/42/94/333214294.db2.gz IRVYTOAINRVVST-NVXWUHKLSA-N 0 3 313.445 3.843 20 30 DHEDHN N#C[C@H]1CCC[C@H](NC[C@@H](O)c2c(Cl)cccc2Cl)C1 ZINC000185839780 333214748 /nfs/dbraw/zinc/21/47/48/333214748.db2.gz JTJCCNFHGOLBOL-COPLHBTASA-N 0 3 313.228 3.699 20 30 DHEDHN CCOc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1OC(F)F ZINC000185856797 333215318 /nfs/dbraw/zinc/21/53/18/333215318.db2.gz PKEOBKCTXLMDSD-OCCSQVGLSA-N 0 3 324.371 3.859 20 30 DHEDHN CC1(C)[C@H](C(F)(F)F)CCN1CCOc1ccccc1C#N ZINC000318950899 333230998 /nfs/dbraw/zinc/23/09/98/333230998.db2.gz CWMKXILMKLCGHV-CQSZACIVSA-N 0 3 312.335 3.600 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000497469168 333254129 /nfs/dbraw/zinc/25/41/29/333254129.db2.gz OLGVQUXSKFYZKY-GOSISDBHSA-N 0 3 310.372 3.913 20 30 DHEDHN C[C@H](O)CCN(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191512459 333280416 /nfs/dbraw/zinc/28/04/16/333280416.db2.gz AQSQLCQFHPFJFA-SFHVURJKSA-N 0 3 322.452 3.589 20 30 DHEDHN C=CC[C@@H](C)NCc1cc(OC)c(OC)cc1Br ZINC000116927695 333282838 /nfs/dbraw/zinc/28/28/38/333282838.db2.gz LAIDBVUMLUBTKD-SNVBAGLBSA-N 0 3 314.223 3.521 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000120674386 333305370 /nfs/dbraw/zinc/30/53/70/333305370.db2.gz CBTCFQQWXRTDDG-KBPBESRZSA-N 0 3 307.397 3.928 20 30 DHEDHN CC(C)(CCC#N)CN1CCC(O)(c2ccccc2Cl)CC1 ZINC000194950469 333318240 /nfs/dbraw/zinc/31/82/40/333318240.db2.gz DDFKYCOCKAGAMM-UHFFFAOYSA-N 0 3 320.864 3.953 20 30 DHEDHN C=CCC[C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccco1 ZINC000364969231 333333532 /nfs/dbraw/zinc/33/35/32/333333532.db2.gz IBZHHPWEMPGPQZ-GDBMZVCRSA-N 0 3 315.392 3.690 20 30 DHEDHN CN(C)[C@H](CNCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000540628835 333337479 /nfs/dbraw/zinc/33/74/79/333337479.db2.gz AJBDRJXRMFAIFP-MRXNPFEDSA-N 0 3 319.861 3.666 20 30 DHEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000319693124 333397357 /nfs/dbraw/zinc/39/73/57/333397357.db2.gz LJBVUZJINIDIPZ-FUHWJXTLSA-N 0 3 311.429 3.541 20 30 DHEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(Br)cc1F ZINC000320214103 333454180 /nfs/dbraw/zinc/45/41/80/333454180.db2.gz FWASXNGRUCCXDA-PWSUYJOCSA-N 0 3 316.214 3.566 20 30 DHEDHN C[C@H](NCCOCCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000339082057 333508242 /nfs/dbraw/zinc/50/82/42/333508242.db2.gz PNORMLNCUCRTGM-INIZCTEOSA-N 0 3 319.408 3.806 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000565442091 333521724 /nfs/dbraw/zinc/52/17/24/333521724.db2.gz ASANCBJDJWLGTM-YOEHRIQHSA-N 0 3 320.502 3.730 20 30 DHEDHN CCCN(CCC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411163309 333638888 /nfs/dbraw/zinc/63/88/88/333638888.db2.gz FBKOCVXSVPDFSR-LBPRGKRZSA-N 0 3 319.474 3.557 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000186146260 335156675 /nfs/dbraw/zinc/15/66/75/335156675.db2.gz XFHWJAHNFDXTOU-OAHLLOKOSA-N 0 3 315.461 3.734 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414090913 333894436 /nfs/dbraw/zinc/89/44/36/333894436.db2.gz CZGYWXSKAZCPLB-KBPBESRZSA-N 0 3 302.443 3.645 20 30 DHEDHN C[C@H](N[C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000414349693 333946026 /nfs/dbraw/zinc/94/60/26/333946026.db2.gz PRZLSVSMJJJLED-KBXCAEBGSA-N 0 3 309.388 3.627 20 30 DHEDHN C=CCOc1ccc(CN(C)CC[C@H]2CCCO2)cc1Cl ZINC000343466145 335167281 /nfs/dbraw/zinc/16/72/81/335167281.db2.gz IHVBNYOQDJWFMT-OAHLLOKOSA-N 0 3 309.837 3.906 20 30 DHEDHN CC(C)OCC(C)(C)NCc1cccc(OCCCC#N)c1 ZINC000414544051 334014256 /nfs/dbraw/zinc/01/42/56/334014256.db2.gz CVFQSTPEIPPYFL-UHFFFAOYSA-N 0 3 304.434 3.662 20 30 DHEDHN C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccc(OCC#N)cc1 ZINC000271900538 334028575 /nfs/dbraw/zinc/02/85/75/334028575.db2.gz VMIRZHLDRXDMFU-ACJLOTCBSA-N 0 3 308.381 3.633 20 30 DHEDHN N#Cc1cccc(CCN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000343513860 335173369 /nfs/dbraw/zinc/17/33/69/335173369.db2.gz OJYKHNMZYDGOLW-GOSISDBHSA-N 0 3 310.372 3.743 20 30 DHEDHN N#CCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000273096043 334043115 /nfs/dbraw/zinc/04/31/15/334043115.db2.gz UQJNQMIBWKEVBQ-UHFFFAOYSA-N 0 3 301.371 3.717 20 30 DHEDHN CN(Cc1ccc(C#N)o1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273467557 334047504 /nfs/dbraw/zinc/04/75/04/334047504.db2.gz INVWRMVQTBTLNT-MAUKXSAKSA-N 0 3 314.360 3.642 20 30 DHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000274574498 334063418 /nfs/dbraw/zinc/06/34/18/334063418.db2.gz BNCXTQFJAFNOLU-OBJOEFQTSA-N 0 3 312.335 3.971 20 30 DHEDHN CC(C)(C#N)CCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000277056303 334086189 /nfs/dbraw/zinc/08/61/89/334086189.db2.gz MOVBCSOINFXHFH-GJZGRUSLSA-N 0 3 310.800 3.839 20 30 DHEDHN CC(C)(C#N)CCCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000277773576 334090676 /nfs/dbraw/zinc/09/06/76/334090676.db2.gz RJPMQFYLDMYWEQ-QGZVFWFLSA-N 0 3 304.434 3.981 20 30 DHEDHN Cc1nc2sccn2c1CN(C)CCCCC(C)(C)C#N ZINC000277766142 334090750 /nfs/dbraw/zinc/09/07/50/334090750.db2.gz QTCFNLQLLLSVRH-UHFFFAOYSA-N 0 3 304.463 3.856 20 30 DHEDHN CC(C)(C#N)CCCCN1CCN(CCc2ccccc2)CC1 ZINC000278088829 334092745 /nfs/dbraw/zinc/09/27/45/334092745.db2.gz JDCBWUVUTBDHPM-UHFFFAOYSA-N 0 3 313.489 3.567 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000278503903 334097068 /nfs/dbraw/zinc/09/70/68/334097068.db2.gz AQUAOSDCGLTMIT-BVGQSLNGSA-N 0 3 318.848 3.778 20 30 DHEDHN N#C[C@H]1CC[C@H](N2CCN(Cc3cccc4ccccc43)CC2)C1 ZINC000278753010 334100691 /nfs/dbraw/zinc/10/06/91/334100691.db2.gz XEWIXJWZELDGCG-PXNSSMCTSA-N 0 3 319.452 3.650 20 30 DHEDHN CN(CCCCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000278962020 334104202 /nfs/dbraw/zinc/10/42/02/334104202.db2.gz ZRSXYEVNYHMZRI-UHFFFAOYSA-N 0 3 322.452 3.591 20 30 DHEDHN N#CCCCN[C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000280097412 334114242 /nfs/dbraw/zinc/11/42/42/334114242.db2.gz MVOSWIDWKRGPRR-CQSZACIVSA-N 0 3 311.198 3.933 20 30 DHEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280445512 334117386 /nfs/dbraw/zinc/11/73/86/334117386.db2.gz NGIBGNLLBGAQLN-JLSDUUJJSA-N 0 3 323.440 3.572 20 30 DHEDHN CCCC[C@H](CCC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280632802 334118842 /nfs/dbraw/zinc/11/88/42/334118842.db2.gz YYLKPJQORHQISP-ROUUACIJSA-N 0 3 311.429 3.716 20 30 DHEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccncc1OCC(F)(F)F ZINC000343609484 335177127 /nfs/dbraw/zinc/17/71/27/335177127.db2.gz PEZQIKVRNPPCJM-VXGBXAGGSA-N 0 3 302.340 3.713 20 30 DHEDHN COc1ccc(CNCC2CCC(C#N)CC2)c(Cl)c1OC ZINC000281689212 334127830 /nfs/dbraw/zinc/12/78/30/334127830.db2.gz MYCWTSLDQOXZDJ-UHFFFAOYSA-N 0 3 322.836 3.777 20 30 DHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(OCC2CC2)c(F)c1 ZINC000282244020 334132682 /nfs/dbraw/zinc/13/26/82/334132682.db2.gz JERUVDHTBJLBSP-NOLJZWGESA-N 0 3 302.393 3.957 20 30 DHEDHN CCCCCCC[C@@H](C)CN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000283856926 334141614 /nfs/dbraw/zinc/14/16/14/334141614.db2.gz BLHMIMBMSZQEQG-NVXWUHKLSA-N 0 3 315.465 3.875 20 30 DHEDHN CC(C)(C#N)CCN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000284804619 334144499 /nfs/dbraw/zinc/14/44/99/334144499.db2.gz OWQZVLHMPQEPCT-CQSZACIVSA-N 0 3 322.250 3.825 20 30 DHEDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c([O-])c1 ZINC000284867230 334144740 /nfs/dbraw/zinc/14/47/40/334144740.db2.gz AULVWMMVWSJQPZ-OAHLLOKOSA-N 0 3 310.397 3.762 20 30 DHEDHN Cn1nccc1C1=CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000285798955 334150081 /nfs/dbraw/zinc/15/00/81/334150081.db2.gz ZZNAHFPEEDBXHM-UHFFFAOYSA-N 0 3 320.440 3.511 20 30 DHEDHN CC(C)OC(=O)C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000290388991 334172635 /nfs/dbraw/zinc/17/26/35/334172635.db2.gz IPYZYIPIHDJVHB-NXHRZFHOSA-N 0 3 314.429 3.741 20 30 DHEDHN COc1ccccc1-c1ccc([C@H](C)NCCOCCC#N)cc1 ZINC000293754097 334202030 /nfs/dbraw/zinc/20/20/30/334202030.db2.gz JDPOHMBUQKLMNG-INIZCTEOSA-N 0 3 324.424 3.943 20 30 DHEDHN N#Cc1ccc(CN(Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000531888765 334276799 /nfs/dbraw/zinc/27/67/99/334276799.db2.gz NXWWCNISPLBWGO-UHFFFAOYSA-N 0 3 320.436 3.866 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(NC(C)=O)cc2)cc1 ZINC000120185847 334317622 /nfs/dbraw/zinc/31/76/22/334317622.db2.gz NCNRXZVQIZFRFO-OAHLLOKOSA-N 0 3 322.408 3.508 20 30 DHEDHN N#Cc1cccc(CCNCc2cnc(-c3ccco3)s2)c1 ZINC000341473608 334451755 /nfs/dbraw/zinc/45/17/55/334451755.db2.gz WFCIEPORCRDYIM-UHFFFAOYSA-N 0 3 309.394 3.607 20 30 DHEDHN N#Cc1ccc2ncc(CN[C@H](c3ccccc3)C3CCC3)n2c1 ZINC000342728685 334569608 /nfs/dbraw/zinc/56/96/08/334569608.db2.gz NSCZSVBMOKSMMT-HXUWFJFHSA-N 0 3 316.408 3.837 20 30 DHEDHN C=C[C@@H](C)NCc1cc(Br)c(OCC)c(OC)c1 ZINC000123182149 334724172 /nfs/dbraw/zinc/72/41/72/334724172.db2.gz TWJZUUVZSRVPNB-SNVBAGLBSA-N 0 3 314.223 3.521 20 30 DHEDHN Cc1cc(CN[C@H](c2ccccc2)[C@H]2CCCO2)ccc1C#N ZINC000443964122 338464538 /nfs/dbraw/zinc/46/45/38/338464538.db2.gz IVZGMRZHCYNKEY-WOJBJXKFSA-N 0 3 306.409 3.877 20 30 DHEDHN Cc1cc(CNCc2cccc(OCC(F)F)c2)ccc1C#N ZINC000443984183 338465403 /nfs/dbraw/zinc/46/54/03/338465403.db2.gz WCUYHYTVHFIWLV-UHFFFAOYSA-N 0 3 316.351 3.800 20 30 DHEDHN CCO[C@@H]1C[C@@H](N[C@@H]2CC[C@H](C#N)C2)[C@H]1Sc1ccccc1 ZINC000425351117 334806714 /nfs/dbraw/zinc/80/67/14/334806714.db2.gz ITACBJGAXBVLRC-QBBQCFRVSA-N 0 3 316.470 3.607 20 30 DHEDHN CC[C@@H](C)N[C@@H](CNc1cccc(F)c1C#N)c1ccco1 ZINC000343251285 334807143 /nfs/dbraw/zinc/80/71/43/334807143.db2.gz OCQRCZNLSIFQCU-WBMJQRKESA-N 0 3 301.365 3.832 20 30 DHEDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343708755 335189606 /nfs/dbraw/zinc/18/96/06/335189606.db2.gz LIKBFSFESXDMMD-SJORKVTESA-N 0 3 315.461 3.690 20 30 DHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000344187980 335228838 /nfs/dbraw/zinc/22/88/38/335228838.db2.gz IEJYHANOIHDWHI-GOEBONIOSA-N 0 3 311.454 3.545 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2cc(F)c3ccccc3c2)nc(C)n1 ZINC000344731671 335271892 /nfs/dbraw/zinc/27/18/92/335271892.db2.gz PJHOSKXTBHAQTI-MRXNPFEDSA-N 0 3 319.339 3.876 20 30 DHEDHN Cc1cc(C)c(C#N)c(NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC000345327812 335317690 /nfs/dbraw/zinc/31/76/90/335317690.db2.gz IAIDUHZQEMGNQP-LJQANCHMSA-N 0 3 320.440 3.819 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(-n2ccnc2)cc1 ZINC000346364757 335406249 /nfs/dbraw/zinc/40/62/49/335406249.db2.gz ZFPBTFSEEAPQOJ-CYBMUJFWSA-N 0 3 308.410 3.656 20 30 DHEDHN COCC[C@@H](Cc1ccco1)N[C@H](C)c1ccc(C#N)cc1F ZINC000346819651 335443666 /nfs/dbraw/zinc/44/36/66/335443666.db2.gz XIQLCZHOHYZJGB-HIFRSBDPSA-N 0 3 316.376 3.589 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(F)(c2ccccn2)CC1 ZINC000347712077 335519018 /nfs/dbraw/zinc/51/90/18/335519018.db2.gz XJHCSWPSSUUQTM-HNNXBMFYSA-N 0 3 309.388 3.975 20 30 DHEDHN COc1cc(CNCc2ccc(OC(C)C)cc2)ccc1C#N ZINC000353249602 335802707 /nfs/dbraw/zinc/80/27/07/335802707.db2.gz NTPQXKCAZNASNO-UHFFFAOYSA-N 0 3 310.397 3.644 20 30 DHEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H](C2CC2)C1 ZINC000329628351 336016256 /nfs/dbraw/zinc/01/62/56/336016256.db2.gz HGBBGRJBZXRWTN-OCCSQVGLSA-N 0 3 316.401 3.514 20 30 DHEDHN CCc1nccn1[C@H]1CCCN(C([O-])=[NH+][C@H]2CC[C@H](C)CC2)C1 ZINC000329654029 336028626 /nfs/dbraw/zinc/02/86/26/336028626.db2.gz FDBIAGBLLKQQGQ-JYJNAYRXSA-N 0 3 318.465 3.575 20 30 DHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](C2CC2)C1 ZINC000329664486 336033979 /nfs/dbraw/zinc/03/39/79/336033979.db2.gz QJLQJKVIDWCNCO-GDBMZVCRSA-N 0 3 303.450 3.680 20 30 DHEDHN CC1(C)CCC(NC(=O)C2CCN(C3CC3)CC2)(C(N)=O)CC1 ZINC000330129639 336116166 /nfs/dbraw/zinc/11/61/66/336116166.db2.gz KCCWGTCOAYMPBH-UHFFFAOYSA-N 0 3 321.465 3.692 20 30 DHEDHN CC(C)c1ccccc1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000330205624 336124304 /nfs/dbraw/zinc/12/43/04/336124304.db2.gz CPYSRPVXTVYQOA-KKXDTOCCSA-N 0 3 316.445 3.944 20 30 DHEDHN C[C@H](C1CC1)n1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)cn1 ZINC000330324263 336158450 /nfs/dbraw/zinc/15/84/50/336158450.db2.gz UAVUDRDYHADVAQ-DYVFJYSZSA-N 0 3 316.449 3.849 20 30 DHEDHN CC(C)[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000332697535 336179187 /nfs/dbraw/zinc/17/91/87/336179187.db2.gz WENHXQXBTRAGNU-DLBZAZTESA-N 0 3 324.428 3.913 20 30 DHEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000352138328 336196290 /nfs/dbraw/zinc/19/62/90/336196290.db2.gz XZZMTGUYGYVDMT-MPKXVKKWSA-N 0 3 310.319 3.617 20 30 DHEDHN CC[C@H](NCC#Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000352250978 336206949 /nfs/dbraw/zinc/20/69/49/336206949.db2.gz NKEQGQQVOXUMEE-SFHVURJKSA-N 0 3 309.409 3.796 20 30 DHEDHN C=CCOCCCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352800633 336238670 /nfs/dbraw/zinc/23/86/70/336238670.db2.gz PDEGWNRCSFEWAF-HNNXBMFYSA-N 0 3 318.244 3.599 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@H](C)c1ccccc1 ZINC000532518281 336253436 /nfs/dbraw/zinc/25/34/36/336253436.db2.gz YJGRQMOKHOKPTP-SJORKVTESA-N 0 3 302.462 3.535 20 30 DHEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NCc1nc(C#N)cs1 ZINC000352833044 336270489 /nfs/dbraw/zinc/27/04/89/336270489.db2.gz GUUWNPPMDOZEEU-OAHLLOKOSA-N 0 3 303.406 3.511 20 30 DHEDHN CC1(C)SC[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000352862963 336282888 /nfs/dbraw/zinc/28/28/88/336282888.db2.gz RGPFHAPWKXZVBT-LBPRGKRZSA-N 0 3 300.349 3.561 20 30 DHEDHN C[C@@H](N[C@H]1CCOc2ccccc21)c1ccc(OCC#N)cc1 ZINC000193002646 336286860 /nfs/dbraw/zinc/28/68/60/336286860.db2.gz NWRNMOYYEDBJJZ-KDOFPFPSSA-N 0 3 308.381 3.763 20 30 DHEDHN CN(C)[C@H](CNc1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000301194787 336294319 /nfs/dbraw/zinc/29/43/19/336294319.db2.gz YJQKGBFTSMKMEN-CQSZACIVSA-N 0 3 305.834 3.988 20 30 DHEDHN CN(C)[C@H](CNc1c(Cl)cccc1C#N)c1cccs1 ZINC000301201126 336294653 /nfs/dbraw/zinc/29/46/53/336294653.db2.gz MUZHNACLQOCFEL-CYBMUJFWSA-N 0 3 305.834 3.988 20 30 DHEDHN CCN(CC)[C@H](CNc1cccc(C#N)n1)c1ccsc1 ZINC000301296658 336299519 /nfs/dbraw/zinc/29/95/19/336299519.db2.gz XZXPHZKEXNSWLS-OAHLLOKOSA-N 0 3 300.431 3.510 20 30 DHEDHN CN(C)[C@H](CNc1cc(C#N)nc2ccccc21)c1ccccc1 ZINC000301358025 336302316 /nfs/dbraw/zinc/30/23/16/336302316.db2.gz PIFLGOYHDXPUOL-HXUWFJFHSA-N 0 3 316.408 3.821 20 30 DHEDHN N#Cc1cc(F)ccc1N[C@@H](CN1CCCC1)c1ccccc1 ZINC000301362583 336302560 /nfs/dbraw/zinc/30/25/60/336302560.db2.gz MLEFCBCZYYKWEH-IBGZPJMESA-N 0 3 309.388 3.946 20 30 DHEDHN C[C@H](c1ccccc1)N1CCC(Nc2ccc(C#N)nc2)CC1 ZINC000301497709 336310545 /nfs/dbraw/zinc/31/05/45/336310545.db2.gz DBPWLZOYKHGFGT-OAHLLOKOSA-N 0 3 306.413 3.591 20 30 DHEDHN C[C@@H]1CN(CCCCNc2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000301721841 336325506 /nfs/dbraw/zinc/32/55/06/336325506.db2.gz NEMLSYVFSDCRBS-OKILXGFUSA-N 0 3 321.852 3.513 20 30 DHEDHN CC(=O)c1ccc(C#N)cc1NC[C@H](C)N(C)Cc1ccccc1 ZINC000302125936 336349724 /nfs/dbraw/zinc/34/97/24/336349724.db2.gz WFRAWTVAWFGXHJ-HNNXBMFYSA-N 0 3 321.424 3.693 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000352903395 336375523 /nfs/dbraw/zinc/37/55/23/336375523.db2.gz SNYGHORONLSJRK-GXTWGEPZSA-N 0 3 301.390 3.580 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CC[C@H](c3ccccc3F)C2)n1 ZINC000352949204 336378885 /nfs/dbraw/zinc/37/88/85/336378885.db2.gz RLESQIYUBTUBAO-NWDGAFQWSA-N 0 3 301.390 3.580 20 30 DHEDHN C=CCOc1cccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000353188582 336405959 /nfs/dbraw/zinc/40/59/59/336405959.db2.gz HNFRWENTUTYBJB-NHCUHLMSSA-N 0 3 323.436 3.507 20 30 DHEDHN N#CCCC[C@H](NCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000353916956 336447960 /nfs/dbraw/zinc/44/79/60/336447960.db2.gz SJMFZJYLVUCYMS-SFHVURJKSA-N 0 3 322.408 3.983 20 30 DHEDHN COc1ccc(CNCC2(C(F)F)CC2)cc1OCCCC#N ZINC000355153179 336496580 /nfs/dbraw/zinc/49/65/80/336496580.db2.gz JMTFIYCDCKWAMB-UHFFFAOYSA-N 0 3 324.371 3.513 20 30 DHEDHN CC(C)C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000357420850 336584701 /nfs/dbraw/zinc/58/47/01/336584701.db2.gz PHIURFFCXSBNJA-LJQANCHMSA-N 0 3 321.424 3.874 20 30 DHEDHN C[C@H](N[C@H]1CCCC[C@H]1n1cccn1)c1ccc(C#N)cc1F ZINC000358565634 336634851 /nfs/dbraw/zinc/63/48/51/336634851.db2.gz ADTPWOXNOPLTHR-DOPJRALCSA-N 0 3 312.392 3.728 20 30 DHEDHN C[C@H](CC(F)(F)F)NCc1cccc(OCCCC#N)c1 ZINC000361741489 336770784 /nfs/dbraw/zinc/77/07/84/336770784.db2.gz WPSFHFJQBYVDPO-GFCCVEGCSA-N 0 3 300.324 3.800 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000361835347 336774791 /nfs/dbraw/zinc/77/47/91/336774791.db2.gz WDKGYSHMWGNXTC-CZUORRHYSA-N 0 3 306.425 3.583 20 30 DHEDHN CC(C)c1ccc([C@@H](C)N2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000370134239 336878228 /nfs/dbraw/zinc/87/82/28/336878228.db2.gz WCRYSVOVZVSRFZ-OAHLLOKOSA-N 0 3 323.444 3.671 20 30 DHEDHN Cn1cnc2cc(CN[C@@H]3CCCc4cc(C#N)ccc43)ccc21 ZINC000418138397 336896219 /nfs/dbraw/zinc/89/62/19/336896219.db2.gz DBBQDAOWGHXVFR-GOSISDBHSA-N 0 3 316.408 3.612 20 30 DHEDHN N#CC1(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000418143295 336896617 /nfs/dbraw/zinc/89/66/17/336896617.db2.gz PBLOGTDOVRTLLM-HOCLYGCPSA-N 0 3 313.401 3.589 20 30 DHEDHN Cc1ccccc1C1(O)CCN(CCCCC(C)(C)C#N)CC1 ZINC000375405643 337010493 /nfs/dbraw/zinc/01/04/93/337010493.db2.gz QIKDWAOKTFXXNH-UHFFFAOYSA-N 0 3 314.473 3.999 20 30 DHEDHN Cc1nn(C(C)(C)C)c(C)c1CN1CCC(CCC#N)CC1 ZINC000583694330 337014708 /nfs/dbraw/zinc/01/47/08/337014708.db2.gz TUSHKQXMOROKDE-UHFFFAOYSA-N 0 3 302.466 3.771 20 30 DHEDHN CC(C)(C#N)CCN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000305678982 337032277 /nfs/dbraw/zinc/03/22/77/337032277.db2.gz MUZUKTYDHDCRKH-KRWDZBQOSA-N 0 3 304.409 3.511 20 30 DHEDHN N#Cc1c(F)ccc(CN[C@@H]2CCOC3(CCCC3)C2)c1Cl ZINC000377144283 337047587 /nfs/dbraw/zinc/04/75/87/337047587.db2.gz AAKABYNBSRGNFA-CYBMUJFWSA-N 0 3 322.811 3.932 20 30 DHEDHN N#CC(C(=O)c1cc2c(s1)CCC2)c1nc2ccccc2[nH]1 ZINC000123434219 337048133 /nfs/dbraw/zinc/04/81/33/337048133.db2.gz OZRJQXHHFACFSB-LLVKDONJSA-N 0 3 307.378 3.603 20 30 DHEDHN CN1CC[C@@H](NCCC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377679585 337058239 /nfs/dbraw/zinc/05/82/39/337058239.db2.gz ZBLGWSDVFHPFFJ-CVEARBPZSA-N 0 3 323.843 3.754 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@H](CC)c1ccc(Cl)cc1 ZINC000218213867 337082686 /nfs/dbraw/zinc/08/26/86/337082686.db2.gz KUPJUSOWVBBDIZ-MRXNPFEDSA-N 0 3 308.853 3.805 20 30 DHEDHN N#CCCCN[C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000360023096 337084016 /nfs/dbraw/zinc/08/40/16/337084016.db2.gz RFCXMUDHQVGKHV-NHYWBVRUSA-N 0 3 313.228 3.964 20 30 DHEDHN C#CCOc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000360053654 337084392 /nfs/dbraw/zinc/08/43/92/337084392.db2.gz DMOJGDIATYGKHF-TZIWHRDSSA-N 0 3 321.420 3.566 20 30 DHEDHN C[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)c1cccc(C#N)c1 ZINC000174431134 337141868 /nfs/dbraw/zinc/14/18/68/337141868.db2.gz ZGADIUVSYGNLQY-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN CCCO[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177153243 337154232 /nfs/dbraw/zinc/15/42/32/337154232.db2.gz UYAYXQVCMVCAMC-GOSISDBHSA-N 0 3 305.849 3.973 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000179373556 337167417 /nfs/dbraw/zinc/16/74/17/337167417.db2.gz GCSBUENZYPUUID-KBPBESRZSA-N 0 3 306.475 3.605 20 30 DHEDHN C=C(C)CN[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000179706313 337171267 /nfs/dbraw/zinc/17/12/67/337171267.db2.gz JGPKZCQGHPKLEG-HNNXBMFYSA-N 0 3 312.413 3.896 20 30 DHEDHN C[C@@H](NCc1ccccc1-n1cccn1)c1ccc(C#N)s1 ZINC000183353947 337191442 /nfs/dbraw/zinc/19/14/42/337191442.db2.gz IBVNCYIBHHTINA-CYBMUJFWSA-N 0 3 308.410 3.656 20 30 DHEDHN N#CC(C(=O)c1ccc2ncccc2c1)c1cnc2ccccc2n1 ZINC000190885294 337290401 /nfs/dbraw/zinc/29/04/01/337290401.db2.gz DAKALEAFLMPLGT-HNNXBMFYSA-N 0 3 324.343 3.668 20 30 DHEDHN N#CC(C(=O)c1cccc2c1CCC2)c1cnc2ccccc2n1 ZINC000190978592 337291960 /nfs/dbraw/zinc/29/19/60/337291960.db2.gz AODNGGPSLJISQO-MRXNPFEDSA-N 0 3 313.360 3.609 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(N(C)CC)nc1 ZINC000191240275 337295142 /nfs/dbraw/zinc/29/51/42/337295142.db2.gz WNIIEXPAJSACEI-UHFFFAOYSA-N 0 3 322.456 3.822 20 30 DHEDHN N#CCCCN(Cc1cccc(Br)c1)CC1CC1 ZINC000191451870 337297057 /nfs/dbraw/zinc/29/70/57/337297057.db2.gz NPXLOCMHIOEYOT-UHFFFAOYSA-N 0 3 307.235 3.965 20 30 DHEDHN N#CCSCCCN1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191687393 337300478 /nfs/dbraw/zinc/30/04/78/337300478.db2.gz ARBHQSHSMHPIMK-ZDUSSCGKSA-N 0 3 310.413 3.791 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000583720357 337317704 /nfs/dbraw/zinc/31/77/04/337317704.db2.gz FIXRIGLWFDROCI-SFHVURJKSA-N 0 3 311.429 3.928 20 30 DHEDHN CCC(O)(CC)C(C)(C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000572424357 337636123 /nfs/dbraw/zinc/63/61/23/337636123.db2.gz DYHSEXRTXRHDOQ-ZDUSSCGKSA-N 0 3 306.425 3.925 20 30 DHEDHN C[C@@H](NC[C@H]1CC12CCSCC2)c1ccc(C#N)cc1F ZINC000421868966 337656923 /nfs/dbraw/zinc/65/69/23/337656923.db2.gz DGIHMOOWYWZWAL-TZMCWYRMSA-N 0 3 304.434 3.881 20 30 DHEDHN CC(C)c1ccc(NC(=O)[C@@H](N)CCCC#N)c(C(C)C)c1 ZINC000424094341 337733147 /nfs/dbraw/zinc/73/31/47/337733147.db2.gz UJTSNIINMWKNHY-INIZCTEOSA-N 0 3 301.434 3.893 20 30 DHEDHN C[C@@H](NCCC(C)(C)C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000424123854 337748534 /nfs/dbraw/zinc/74/85/34/337748534.db2.gz LREPWJZNWBQOMO-CQSZACIVSA-N 0 3 316.445 3.967 20 30 DHEDHN Cc1ccc(C)c(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527813503 337765728 /nfs/dbraw/zinc/76/57/28/337765728.db2.gz WVLWSIVEWQZXSD-UHFFFAOYSA-N 0 3 320.436 3.971 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCc2cnc(CCc3ccccc3)s2)C1 ZINC000424201381 337808796 /nfs/dbraw/zinc/80/87/96/337808796.db2.gz OIBAOBYGINLPOL-CVEARBPZSA-N 0 3 311.454 3.710 20 30 DHEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2c2ccccc2Cl)nn1 ZINC000424292063 337816294 /nfs/dbraw/zinc/81/62/94/337816294.db2.gz GAFFBLHRWHSPJY-DOTOQJQBSA-N 0 3 316.836 3.543 20 30 DHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3ccc(Br)cc32)C1 ZINC000424322243 337820434 /nfs/dbraw/zinc/82/04/34/337820434.db2.gz IFKXWPZDVCFWHG-PSOPSSQASA-N 0 3 305.219 3.718 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H]1Oc2ccccc2[C@H]1C ZINC000533309100 337840541 /nfs/dbraw/zinc/84/05/41/337840541.db2.gz BADQSPNDWXPKEJ-NQCMUKECSA-N 0 3 310.372 3.740 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2CCC(C)C)CC1 ZINC000119732695 337863134 /nfs/dbraw/zinc/86/31/34/337863134.db2.gz BSTONEMUZRAZCA-SFHVURJKSA-N 0 3 321.509 3.637 20 30 DHEDHN CC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C ZINC000537287862 337928139 /nfs/dbraw/zinc/92/81/39/337928139.db2.gz CBDPIIPBSPYDEM-AWEZNQCLSA-N 0 3 307.825 3.564 20 30 DHEDHN C=CC[C@H](C(=O)NCC(C)(C)N1CCCCC1)c1ccccc1 ZINC000426598263 338035587 /nfs/dbraw/zinc/03/55/87/338035587.db2.gz JTGBFNAZLBQCBJ-SFHVURJKSA-N 0 3 314.473 3.727 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000429842492 338036624 /nfs/dbraw/zinc/03/66/24/338036624.db2.gz TUDDWCLOSWEPCA-SFHVURJKSA-N 0 3 314.473 3.542 20 30 DHEDHN C=CC[C@H](C(=O)N[C@@H](C)CN1CCC[C@H](C)C1)c1ccccc1 ZINC000426649907 338036992 /nfs/dbraw/zinc/03/69/92/338036992.db2.gz YWVRTCALSHUGFU-LNLFQRSKSA-N 0 3 314.473 3.583 20 30 DHEDHN CCOc1cc(CN(C)[C@@H]2CC[C@@H](C#N)C2)ccc1OC(F)F ZINC000429722397 338088554 /nfs/dbraw/zinc/08/85/54/338088554.db2.gz IHGCEFTZFMUZGI-TZMCWYRMSA-N 0 3 324.371 3.811 20 30 DHEDHN CC[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1Br ZINC000429768650 338089330 /nfs/dbraw/zinc/08/93/30/338089330.db2.gz UEMJNOXXCQXNER-SWLSCSKDSA-N 0 3 307.235 3.989 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000429800001 338090082 /nfs/dbraw/zinc/09/00/82/338090082.db2.gz HKLPSQPWZAFSQK-GOSISDBHSA-N 0 3 314.473 3.850 20 30 DHEDHN CC(C)c1nn(-c2ccccc2)cc1CNCC1(CC#N)CC1 ZINC000430016776 338093600 /nfs/dbraw/zinc/09/36/00/338093600.db2.gz HEJGBFKKVDSFBW-UHFFFAOYSA-N 0 3 308.429 3.779 20 30 DHEDHN COc1ccc(CNCC2(CC#N)CC2)cc1OCC(C)C ZINC000430047276 338094498 /nfs/dbraw/zinc/09/44/98/338094498.db2.gz RTXZFUXSTXQVIO-UHFFFAOYSA-N 0 3 302.418 3.513 20 30 DHEDHN C/C(=C\c1ccccc1)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430183339 338100073 /nfs/dbraw/zinc/10/00/73/338100073.db2.gz AKANXRMBVXRALA-SKTWIKFTSA-N 0 3 319.408 3.510 20 30 DHEDHN Cc1ccc(NC(=O)C[C@@H](C)NCC2(CC#N)CC2)cc1Cl ZINC000430748612 338113363 /nfs/dbraw/zinc/11/33/63/338113363.db2.gz FKRHQCDMWMRFDG-CYBMUJFWSA-N 0 3 319.836 3.649 20 30 DHEDHN CCC(CC)n1nccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000431270928 338127087 /nfs/dbraw/zinc/12/70/87/338127087.db2.gz UKTCLNLJOOWGHO-CYBMUJFWSA-N 0 3 321.384 3.611 20 30 DHEDHN CN(C(=O)CN[C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433011717 338176228 /nfs/dbraw/zinc/17/62/28/338176228.db2.gz GWBQHJKGFKMEPD-IBGZPJMESA-N 0 3 321.424 3.674 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCc2occc21 ZINC000433225530 338186643 /nfs/dbraw/zinc/18/66/43/338186643.db2.gz IVXUHIJDFIYFGK-NVXWUHKLSA-N 0 3 308.381 3.546 20 30 DHEDHN CN(Cc1ccccc1F)C(=O)C(C#N)CCc1ccccc1 ZINC000433310371 338191078 /nfs/dbraw/zinc/19/10/78/338191078.db2.gz HKUXKWLVMCCBKV-MRXNPFEDSA-N 0 3 310.372 3.557 20 30 DHEDHN CCSCC[C@@H](C)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433375238 338194191 /nfs/dbraw/zinc/19/41/91/338194191.db2.gz XMOAETQKIXIWIN-NVXWUHKLSA-N 0 3 318.486 3.749 20 30 DHEDHN CCc1ccccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433479816 338195574 /nfs/dbraw/zinc/19/55/74/338195574.db2.gz YUALTLIOODXERW-GOSISDBHSA-N 0 3 306.409 3.638 20 30 DHEDHN Cc1cccc(C)c1OC[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000435466298 338240921 /nfs/dbraw/zinc/24/09/21/338240921.db2.gz UJTVIGPZQRTIBQ-AEFFLSMTSA-N 0 3 322.408 3.699 20 30 DHEDHN C=C(C)COCCNCc1ccc(N(C)c2ccccc2)nc1 ZINC000435786100 338249188 /nfs/dbraw/zinc/24/91/88/338249188.db2.gz RUJNEPUXFRKPFL-UHFFFAOYSA-N 0 3 311.429 3.532 20 30 DHEDHN C=CC(C)(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000448583610 338296372 /nfs/dbraw/zinc/29/63/72/338296372.db2.gz UXWREKQZNDDSGI-OAHLLOKOSA-N 0 3 320.502 3.850 20 30 DHEDHN CN(CCc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437409960 338309150 /nfs/dbraw/zinc/30/91/50/338309150.db2.gz HVTKCNYIVRJLSA-UHFFFAOYSA-N 0 3 316.351 3.834 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@@](C)(c2ccccc2)C1 ZINC000438487383 338345775 /nfs/dbraw/zinc/34/57/75/338345775.db2.gz DSFWYDPBNKNQFN-HXUWFJFHSA-N 0 3 306.409 3.730 20 30 DHEDHN C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000439121644 338361624 /nfs/dbraw/zinc/36/16/24/338361624.db2.gz WIAUBCXIXWRYJN-UGSOOPFHSA-N 0 3 324.384 3.570 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@H](C)C1(C)CC1)C(C)C ZINC000439178454 338363393 /nfs/dbraw/zinc/36/33/93/338363393.db2.gz OYCZMILDJCKECD-IAGOWNOFSA-N 0 3 321.509 3.515 20 30 DHEDHN CC[C@@H](CNCc1ccc(C#N)c(OC)c1)Oc1ccccc1C ZINC000440615196 338392477 /nfs/dbraw/zinc/39/24/77/338392477.db2.gz QTPVPINSEARTJI-SFHVURJKSA-N 0 3 324.424 3.823 20 30 DHEDHN COc1cc(CN[C@@]2(C)CCCc3ccccc32)ccc1C#N ZINC000440821386 338398134 /nfs/dbraw/zinc/39/81/34/338398134.db2.gz MXTQOQYJJBJJBU-FQEVSTJZSA-N 0 3 306.409 3.908 20 30 DHEDHN COc1ccc2nc(CNCC3CCC(C#N)CC3)sc2c1 ZINC000441366520 338410783 /nfs/dbraw/zinc/41/07/83/338410783.db2.gz FIGUQXLOEZZTSC-UHFFFAOYSA-N 0 3 315.442 3.724 20 30 DHEDHN COc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OC2CCCC2)c1 ZINC000442773213 338430204 /nfs/dbraw/zinc/43/02/04/338430204.db2.gz WVQXIOOFEPLAFW-GDBMZVCRSA-N 0 3 314.429 3.798 20 30 DHEDHN CC(C)[C@@H](NC1CCC(C)(C#N)CC1)c1nc(C2CC2)no1 ZINC000449225509 338604058 /nfs/dbraw/zinc/60/40/58/338604058.db2.gz OSPUTHXDPOTFBS-XOYHFGRZSA-N 0 3 302.422 3.706 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(-c2ccc(C)o2)s1 ZINC000449549118 338636682 /nfs/dbraw/zinc/63/66/82/338636682.db2.gz UZPRSJNJRMIFGL-KGLIPLIRSA-N 0 3 304.415 3.535 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(F)(F)F)ccc1F ZINC000449549607 338636715 /nfs/dbraw/zinc/63/67/15/338636715.db2.gz ZMDZPWJMZKSUDI-KGLIPLIRSA-N 0 3 303.299 3.668 20 30 DHEDHN C=C(CC)CNCc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000449737339 338649239 /nfs/dbraw/zinc/64/92/39/338649239.db2.gz ZCEFQOJFDJJUFX-UHFFFAOYSA-N 0 3 313.445 3.613 20 30 DHEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(Br)c(F)c1 ZINC000453370612 338833357 /nfs/dbraw/zinc/83/33/57/338833357.db2.gz UJBLMEJYBMOGDH-ZYHUDNBSSA-N 0 3 316.214 3.566 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459595594 339037985 /nfs/dbraw/zinc/03/79/85/339037985.db2.gz XDQXQVZURONVAK-LIRRHRJNSA-N 0 3 314.429 3.673 20 30 DHEDHN CC(C)O[C@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000459625826 339039066 /nfs/dbraw/zinc/03/90/66/339039066.db2.gz BFRFGWOBZCNIBG-OKILXGFUSA-N 0 3 312.335 3.623 20 30 DHEDHN CCOC[C@@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC000459716881 339044039 /nfs/dbraw/zinc/04/40/39/339044039.db2.gz QCNVLJGLRATHAF-KRWDZBQOSA-N 0 3 300.446 3.879 20 30 DHEDHN CCC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCC1 ZINC000459790240 339048752 /nfs/dbraw/zinc/04/87/52/339048752.db2.gz GMPLQHOYWBUIPW-INIZCTEOSA-N 0 3 310.401 3.667 20 30 DHEDHN CCC[C@H]([NH2+][C@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N)C1CCC1 ZINC000459807988 339049445 /nfs/dbraw/zinc/04/94/45/339049445.db2.gz RSGMZZZOSGJNTP-WBMJQRKESA-N 0 3 317.433 3.654 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000464569142 339145579 /nfs/dbraw/zinc/14/55/79/339145579.db2.gz MKAUUZSUCZUYDG-AEFFLSMTSA-N 0 3 302.462 3.788 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000464854316 339158181 /nfs/dbraw/zinc/15/81/81/339158181.db2.gz ONKBZEQCBXEFDB-RDJZCZTQSA-N 0 3 323.358 3.558 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)C[C@@H]1CC)C(C)C ZINC000465543907 339179144 /nfs/dbraw/zinc/17/91/44/339179144.db2.gz KZTUIMMEMATAAB-FGTMMUONSA-N 0 3 321.509 3.515 20 30 DHEDHN N#Cc1cccc(CCNCc2ccccc2Br)c1 ZINC000466424074 339204229 /nfs/dbraw/zinc/20/42/29/339204229.db2.gz UWCZBXKMWAWTKE-UHFFFAOYSA-N 0 3 315.214 3.653 20 30 DHEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000467294576 339230122 /nfs/dbraw/zinc/23/01/22/339230122.db2.gz AISMUUKFNNPINU-JKSUJKDBSA-N 0 3 310.441 3.913 20 30 DHEDHN C=CC[C@H](CC)N[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000467409867 339236931 /nfs/dbraw/zinc/23/69/31/339236931.db2.gz BCVJBKFNGRWDSO-DOMZBBRYSA-N 0 3 302.397 3.720 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000467519123 339240876 /nfs/dbraw/zinc/24/08/76/339240876.db2.gz PRIRUWFAPRGBIL-ICSRJNTNSA-N 0 3 314.473 3.542 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000467840975 339247358 /nfs/dbraw/zinc/24/73/58/339247358.db2.gz KKWKSZVUZFUUAC-ICSRJNTNSA-N 0 3 314.473 3.850 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000468104029 339254121 /nfs/dbraw/zinc/25/41/21/339254121.db2.gz NRHROQUHGQKIMK-HXUWFJFHSA-N 0 3 314.473 3.542 20 30 DHEDHN C=C[C@H](CC(=O)NC[C@@H]1N(C)CCCC1(C)C)c1ccccc1 ZINC000468480245 339263724 /nfs/dbraw/zinc/26/37/24/339263724.db2.gz UCFLCIATPUUSAG-AEFFLSMTSA-N 0 3 314.473 3.583 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)CC1 ZINC000469409209 339288177 /nfs/dbraw/zinc/28/81/77/339288177.db2.gz BOGYWFAIPCAAHF-SJORKVTESA-N 0 3 321.509 3.541 20 30 DHEDHN COc1cc(CN[C@H]2CC[C@H](C#N)C2)ccc1OCCC(C)C ZINC000472142487 339364262 /nfs/dbraw/zinc/36/42/62/339364262.db2.gz PKFYHMZHIGQGMJ-RDJZCZTQSA-N 0 3 316.445 3.902 20 30 DHEDHN C=CCC[C@@H](CC)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000475573366 339456013 /nfs/dbraw/zinc/45/60/13/339456013.db2.gz HVWDGVQQBZPTBK-TZMCWYRMSA-N 0 3 317.351 3.953 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1oc(CC)cc1C)C(C)C ZINC000486938492 339738968 /nfs/dbraw/zinc/73/89/68/339738968.db2.gz QLDITXZWKPHTGC-QGZVFWFLSA-N 0 3 318.461 3.579 20 30 DHEDHN Cc1cc(CN2CCC(n3cc(Cl)cn3)CC2)ccc1C#N ZINC000488315384 339776722 /nfs/dbraw/zinc/77/67/22/339776722.db2.gz ZMJYPSJQNBHWPF-UHFFFAOYSA-N 0 3 314.820 3.554 20 30 DHEDHN Cc1ccc(CN(C)C)cc1NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000492050074 339890132 /nfs/dbraw/zinc/89/01/32/339890132.db2.gz OZDGGXWLBLNRNS-KHPPLWFESA-N 0 3 319.408 3.580 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000494935270 339965626 /nfs/dbraw/zinc/96/56/26/339965626.db2.gz YLKOYEJLIITCBY-HUUCEWRRSA-N 0 3 321.424 3.672 20 30 DHEDHN C=CCC[C@@H](C(=O)NCCN1CCC(C)CC1)c1ccccc1 ZINC000495018062 339970398 /nfs/dbraw/zinc/97/03/98/339970398.db2.gz NDHJEHVHKIFDLU-LJQANCHMSA-N 0 3 314.473 3.585 20 30 DHEDHN COC(=O)Nc1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000495809907 339992587 /nfs/dbraw/zinc/99/25/87/339992587.db2.gz MEKXQBGWGKNSKC-ZDUSSCGKSA-N 0 3 309.369 3.587 20 30 DHEDHN C=CCN1CC[C@@H](N[C@@H](c2ccccc2)C(CC)CC)C1=O ZINC000499598637 340040215 /nfs/dbraw/zinc/04/02/15/340040215.db2.gz ACCOHIPMCPKOHA-QZTJIDSGSA-N 0 3 300.446 3.540 20 30 DHEDHN COc1cccc(C2(F)CCN(CCC(C)(C)C#N)CC2)c1 ZINC000500140926 340051219 /nfs/dbraw/zinc/05/12/19/340051219.db2.gz RHVJCEGRSUWJKX-UHFFFAOYSA-N 0 3 304.409 3.896 20 30 DHEDHN C=CC[C@H](CC)N[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000500813118 340067620 /nfs/dbraw/zinc/06/76/20/340067620.db2.gz UOEDRYPUQCTUMV-PMACEKPBSA-N 0 3 322.452 3.988 20 30 DHEDHN COc1cc(C#N)ccc1CN(C)CCc1ccc(Cl)cc1 ZINC000501206546 340076030 /nfs/dbraw/zinc/07/60/30/340076030.db2.gz SMUFJVLKLNXGEG-UHFFFAOYSA-N 0 3 314.816 3.895 20 30 DHEDHN COc1ccc(CCCN(C)Cc2ccc(C#N)cc2OC)cc1 ZINC000501269893 340077537 /nfs/dbraw/zinc/07/75/37/340077537.db2.gz RSDPQDGJPZEKOH-UHFFFAOYSA-N 0 3 324.424 3.640 20 30 DHEDHN C=CCCC[C@H](C)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503268799 340124442 /nfs/dbraw/zinc/12/44/42/340124442.db2.gz KVEVGYARZPZWIV-DLBZAZTESA-N 0 3 302.462 3.883 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccccc1F)C(C)C ZINC000503434203 340128243 /nfs/dbraw/zinc/12/82/43/340128243.db2.gz DTMLLOOWQJZWGB-QGZVFWFLSA-N 0 3 319.424 3.646 20 30 DHEDHN Cc1cc(CNCCOc2ccc(C#N)cc2)ccc1Cl ZINC000503575136 340131161 /nfs/dbraw/zinc/13/11/61/340131161.db2.gz ZQVWYRZQJZVJHE-UHFFFAOYSA-N 0 3 300.789 3.689 20 30 DHEDHN N#Cc1cccc(OCCN2CC[C@H](c3ccccc3F)C2)c1 ZINC000503594751 340131998 /nfs/dbraw/zinc/13/19/98/340131998.db2.gz RERCESNRUKTUFH-INIZCTEOSA-N 0 3 310.372 3.566 20 30 DHEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000504992765 340158204 /nfs/dbraw/zinc/15/82/04/340158204.db2.gz VPSRVUQYSYPFCB-DOTOQJQBSA-N 0 3 302.462 3.705 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000505016538 340158860 /nfs/dbraw/zinc/15/88/60/340158860.db2.gz ITULSIHCEKYCLA-MRXNPFEDSA-N 0 3 315.461 3.611 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000505059699 340160334 /nfs/dbraw/zinc/16/03/34/340160334.db2.gz AOEAINUZEBLRSI-RDJZCZTQSA-N 0 3 315.461 3.752 20 30 DHEDHN C=CCCN(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000516600187 340191898 /nfs/dbraw/zinc/19/18/98/340191898.db2.gz UETPKEFBCAYCFV-AWEZNQCLSA-N 0 3 321.770 3.684 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(Cc1ccccc1)[C@@H](C)CC ZINC000507693117 340228485 /nfs/dbraw/zinc/22/84/85/340228485.db2.gz JMZUDTYPGBEIBY-KRWDZBQOSA-N 0 3 302.462 3.712 20 30 DHEDHN C=CC1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000508890214 340255308 /nfs/dbraw/zinc/25/53/08/340255308.db2.gz OGPYCHCOSFLCLD-LJQANCHMSA-N 0 3 301.430 3.642 20 30 DHEDHN C=C(C)CCN1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000509316110 340266105 /nfs/dbraw/zinc/26/61/05/340266105.db2.gz WAMIFUPLHIMLIE-UHFFFAOYSA-N 0 3 307.507 3.524 20 30 DHEDHN C=CC[C@@H](C)N[C@@H](C)c1ccccc1I ZINC000309013059 340298011 /nfs/dbraw/zinc/29/80/11/340298011.db2.gz SOHSKRLAMQTCOO-MNOVXSKESA-N 0 3 315.198 3.906 20 30 DHEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CCC1 ZINC000510544627 340302353 /nfs/dbraw/zinc/30/23/53/340302353.db2.gz DZGOVAWGOYSPBA-AEFFLSMTSA-N 0 3 314.473 3.849 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510547468 340302524 /nfs/dbraw/zinc/30/25/24/340302524.db2.gz KKLMMLGMOZPCHV-VQIMIIECSA-N 0 3 314.473 3.871 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2ccc(F)cc2)s1 ZINC000511471263 340327863 /nfs/dbraw/zinc/32/78/63/340327863.db2.gz JATKBMYEAHOEAO-HNNXBMFYSA-N 0 3 300.402 3.966 20 30 DHEDHN CC(C#N)C(=O)N[C@H](c1cccc2ccccc21)C(F)(F)F ZINC000511810796 340338851 /nfs/dbraw/zinc/33/88/51/340338851.db2.gz WDATVJGJABRWEZ-QMTHXVAHSA-N 0 3 306.287 3.719 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC[C@@H]2CCCC[C@@H]2C)CC1 ZINC000512059483 340347178 /nfs/dbraw/zinc/34/71/78/340347178.db2.gz QOJIJBLZPPTXKO-IRXDYDNUSA-N 0 3 321.509 3.543 20 30 DHEDHN C[C@@H](NCCOc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512632332 340370077 /nfs/dbraw/zinc/37/00/77/340370077.db2.gz ZIANKRITBLZFGV-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN CC(C)[C@H]1OCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512636056 340370340 /nfs/dbraw/zinc/37/03/40/340370340.db2.gz JOVUPMICKHJDNH-JCKWVBRZSA-N 0 3 304.409 3.799 20 30 DHEDHN C[C@H](N[C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000512640983 340370504 /nfs/dbraw/zinc/37/05/04/340370504.db2.gz CBYXSJRGIRZUHI-QEORTHHSSA-N 0 3 304.409 3.942 20 30 DHEDHN C[C@H](NCCCc1nc2ccccc2[nH]1)c1ccc(C#N)cc1F ZINC000512665053 340371927 /nfs/dbraw/zinc/37/19/27/340371927.db2.gz DAAHQIBENCYPLE-ZDUSSCGKSA-N 0 3 322.387 3.857 20 30 DHEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1ccccc1C#N ZINC000513075683 340392200 /nfs/dbraw/zinc/39/22/00/340392200.db2.gz LZQBEWXWXUMXSV-DUXKGJEZSA-N 0 3 320.436 3.999 20 30 DHEDHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000174840792 340397273 /nfs/dbraw/zinc/39/72/73/340397273.db2.gz RJTKZCOOOPFVJW-HNNXBMFYSA-N 0 3 323.481 3.648 20 30 DHEDHN C=CCOc1ccccc1CNCCO[C@@H]1CCCC[C@H]1C ZINC000513643454 340416779 /nfs/dbraw/zinc/41/67/79/340416779.db2.gz OVORJVYRMHFEKA-SJLPKXTDSA-N 0 3 303.446 3.936 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000186177703 340509033 /nfs/dbraw/zinc/50/90/33/340509033.db2.gz VNBHYXXQOQPDNS-CVEARBPZSA-N 0 3 302.462 3.834 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000523750196 340637664 /nfs/dbraw/zinc/63/76/64/340637664.db2.gz VRTXRFAOMMQKLZ-IRXDYDNUSA-N 0 3 321.509 3.543 20 30 DHEDHN C=CCSCCNCc1ccc(C)c(Br)c1 ZINC000127619633 340854198 /nfs/dbraw/zinc/85/41/98/340854198.db2.gz HIUWGBHGDXUSJF-UHFFFAOYSA-N 0 3 300.265 3.766 20 30 DHEDHN C[C@@]1(NCC#Cc2ccc(C(F)(F)F)cc2)CCO[C@@H]1C1CC1 ZINC000542312768 341004166 /nfs/dbraw/zinc/00/41/66/341004166.db2.gz CXXXKDBNHPIOHH-IAGOWNOFSA-N 0 3 323.358 3.604 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2cccc(C)c2)C1 ZINC000542318855 341004559 /nfs/dbraw/zinc/00/45/59/341004559.db2.gz HXDHZDAWTHZWGD-SFHVURJKSA-N 0 3 306.409 3.865 20 30 DHEDHN C[C@@H](NCCCNc1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000542487309 341009825 /nfs/dbraw/zinc/00/98/25/341009825.db2.gz FILCVZPETGFHBI-CYBMUJFWSA-N 0 3 315.367 3.989 20 30 DHEDHN N#CCc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000543141354 341033955 /nfs/dbraw/zinc/03/39/55/341033955.db2.gz ZSWZVERKLZVUHW-UHFFFAOYSA-N 0 3 323.415 3.968 20 30 DHEDHN C[C@@H](NCCCNc1ccccc1F)c1ccc(C#N)cc1F ZINC000543417368 341043413 /nfs/dbraw/zinc/04/34/13/341043413.db2.gz IWWQTTAESCCXRX-CYBMUJFWSA-N 0 3 315.367 3.989 20 30 DHEDHN CCCOc1ccc(CN2CCC(CC#N)CC2)cc1OC ZINC000543781633 341058537 /nfs/dbraw/zinc/05/85/37/341058537.db2.gz UZYBQNOPAFJVJO-UHFFFAOYSA-N 0 3 302.418 3.610 20 30 DHEDHN CCOC(=O)CCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543873233 341062151 /nfs/dbraw/zinc/06/21/51/341062151.db2.gz QJIMOOLKOPDQKA-HNNXBMFYSA-N 0 3 322.408 3.829 20 30 DHEDHN CN(C[C@@H]1CCCN(CCC(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000131373594 341082561 /nfs/dbraw/zinc/08/25/61/341082561.db2.gz NKYXCLZROHGQES-HNNXBMFYSA-N 0 3 323.481 3.505 20 30 DHEDHN C[C@H](NCC#Cc1ccc(F)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000544514540 341084568 /nfs/dbraw/zinc/08/45/68/341084568.db2.gz ZQUSMMULAHIFHA-AVYPCKFXSA-N 0 3 309.384 3.720 20 30 DHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@H]1c1ccccc1 ZINC000544699192 341091482 /nfs/dbraw/zinc/09/14/82/341091482.db2.gz XWNCWZGDYCMIEE-VQTJNVASSA-N 0 3 323.436 3.602 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1c(C)cccc1C ZINC000544895871 341097798 /nfs/dbraw/zinc/09/77/98/341097798.db2.gz UJSHZWXJNRDMEY-IAGOWNOFSA-N 0 3 300.446 3.543 20 30 DHEDHN CCCCN(CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000132669698 341139082 /nfs/dbraw/zinc/13/90/82/341139082.db2.gz JGZGYVQQTOARDE-GFCCVEGCSA-N 0 3 319.474 3.557 20 30 DHEDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1(C)C ZINC000546973596 341189321 /nfs/dbraw/zinc/18/93/21/341189321.db2.gz YPZZCZKUACKEBW-OAHLLOKOSA-N 0 3 322.456 3.827 20 30 DHEDHN CC(C)CCn1cccc1CNCCOc1ccc(C#N)cc1 ZINC000236636677 341190564 /nfs/dbraw/zinc/19/05/64/341190564.db2.gz GPOQWWWPYYGUIO-UHFFFAOYSA-N 0 3 311.429 3.574 20 30 DHEDHN CO[C@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000076345526 341205898 /nfs/dbraw/zinc/20/58/98/341205898.db2.gz ACIGMSMLXFVUGX-IBGZPJMESA-N 0 3 306.409 3.836 20 30 DHEDHN CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1C(C)(C)C#N ZINC000135105223 341230943 /nfs/dbraw/zinc/23/09/43/341230943.db2.gz SVHJGQUMURIGMP-UHFFFAOYSA-N 0 3 322.408 3.848 20 30 DHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCC(C)(C)C#N ZINC000547841207 341236979 /nfs/dbraw/zinc/23/69/79/341236979.db2.gz DYZKIFXYXLOAKZ-OAGGEKHMSA-N 0 3 320.477 3.901 20 30 DHEDHN CC(C)(C#N)CCN1CCC[C@H](OCc2ccccc2F)C1 ZINC000548097993 341246998 /nfs/dbraw/zinc/24/69/98/341246998.db2.gz YSZKOAJLWRPBDJ-INIZCTEOSA-N 0 3 304.409 3.747 20 30 DHEDHN CC#CCN[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000548489163 341263710 /nfs/dbraw/zinc/26/37/10/341263710.db2.gz VYHWMRLTTHFSJW-FQEVSTJZSA-N 0 3 309.409 3.601 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)cc1 ZINC000080342068 341272993 /nfs/dbraw/zinc/27/29/93/341272993.db2.gz YZJCXLVDYGIMCG-QGZVFWFLSA-N 0 3 311.816 3.580 20 30 DHEDHN C[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000548858592 341278341 /nfs/dbraw/zinc/27/83/41/341278341.db2.gz PLMZJUXBZOJQTB-INIZCTEOSA-N 0 3 323.415 3.882 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000548878945 341279294 /nfs/dbraw/zinc/27/92/94/341279294.db2.gz SVEIIFBWKQUBFX-QGZVFWFLSA-N 0 3 313.445 3.507 20 30 DHEDHN CCc1nc2cc(CN[C@H]3CC[C@@H](C#N)C3)ccc2n1C1CC1 ZINC000549610285 341298896 /nfs/dbraw/zinc/29/88/96/341298896.db2.gz JYDVXFSWJNRAPV-HIFRSBDPSA-N 0 3 308.429 3.715 20 30 DHEDHN COc1cc(Br)ccc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000549996728 341308110 /nfs/dbraw/zinc/30/81/10/341308110.db2.gz JLOBOAGNQITZCO-GVXVVHGQSA-N 0 3 323.234 3.801 20 30 DHEDHN COc1cc(Br)ccc1[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000549996726 341308153 /nfs/dbraw/zinc/30/81/53/341308153.db2.gz JLOBOAGNQITZCO-DMDPSCGWSA-N 0 3 323.234 3.801 20 30 DHEDHN CC(C)[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000551528038 341344006 /nfs/dbraw/zinc/34/40/06/341344006.db2.gz VNDOIHHXOGVDKU-LJQANCHMSA-N 0 3 304.397 3.693 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248831207 341387996 /nfs/dbraw/zinc/38/79/96/341387996.db2.gz MNUDXSPOTWBJLA-VGOVLVCLSA-N 0 3 322.811 3.981 20 30 DHEDHN CCOc1cc2c(cc1CN[C@@H]1CCC[C@H](C#N)C1)O[C@@H](C)C2 ZINC000248998694 341391615 /nfs/dbraw/zinc/39/16/15/341391615.db2.gz PRPGEIGSORJJPY-GRDNDAEWSA-N 0 3 314.429 3.581 20 30 DHEDHN COc1cc(CN[C@@H]2c3cc(F)ccc3C[C@@H]2C)ccc1C#N ZINC000554998510 341472168 /nfs/dbraw/zinc/47/21/68/341472168.db2.gz PLJBHSPAEXXJCK-BUXKBTBVSA-N 0 3 310.372 3.729 20 30 DHEDHN N#CCCC1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000566248046 341551823 /nfs/dbraw/zinc/55/18/23/341551823.db2.gz JHVXWEFFRWJGRH-UHFFFAOYSA-N 0 3 322.412 3.785 20 30 DHEDHN C=CCOCCCN[C@H](C)c1ccc(Br)cc1F ZINC000573759869 341738562 /nfs/dbraw/zinc/73/85/62/341738562.db2.gz XEVUYQQQQZWKBT-LLVKDONJSA-N 0 3 316.214 3.832 20 30 DHEDHN N#CCc1ccc(CN2CCC(OCc3ccccc3)CC2)cc1 ZINC000342692732 341839057 /nfs/dbraw/zinc/83/90/57/341839057.db2.gz LGIBGMMVNVZXAU-UHFFFAOYSA-N 0 3 320.436 3.934 20 30 DHEDHN N#Cc1csc(CN[C@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000175978789 341854795 /nfs/dbraw/zinc/85/47/95/341854795.db2.gz ZWGMDSJSVPHGII-AWEZNQCLSA-N 0 3 317.845 3.642 20 30 DHEDHN CC(C)(C)[C@@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266525296 518939210 /nfs/dbraw/zinc/93/92/10/518939210.db2.gz JXSQWGRELUTKSH-HNNXBMFYSA-N 0 3 310.401 3.619 20 30 DHEDHN CC(C)SCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000336846556 519787378 /nfs/dbraw/zinc/78/73/78/519787378.db2.gz PCZZPYVCETZOKK-UHFFFAOYSA-N 0 3 304.459 3.543 20 30 DHEDHN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000181541957 520908590 /nfs/dbraw/zinc/90/85/90/520908590.db2.gz JYWKRNXEHGSSRF-HNNXBMFYSA-N 0 3 308.429 3.650 20 30 DHEDHN CCCC[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(OC)cc1 ZINC000190947908 521102414 /nfs/dbraw/zinc/10/24/14/521102414.db2.gz SOLHLCSZOWMMLC-LJQANCHMSA-N 0 3 311.429 3.926 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)C[C@@H]1OCCc2ccccc21 ZINC000265231602 526036979 /nfs/dbraw/zinc/03/69/79/526036979.db2.gz QSXRCVMMHATBPV-YWZLYKJASA-N 0 3 306.409 3.865 20 30 DHEDHN C[C@H]1CC(C)(C)CC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120761994 526220527 /nfs/dbraw/zinc/22/05/27/526220527.db2.gz KPDVJPZWYWGAGV-BBRMVZONSA-N 0 3 324.428 3.913 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000182124407 526625697 /nfs/dbraw/zinc/62/56/97/526625697.db2.gz WPUVFOPXJCNYLU-QZTJIDSGSA-N 0 3 312.800 3.831 20 30 DHEDHN Cc1sc(NC(=O)CN[C@@H]2CC[C@@H](C)C[C@@H]2C)c(C#N)c1C ZINC000119517354 526880733 /nfs/dbraw/zinc/88/07/33/526880733.db2.gz FQSAKMLNLSSOOA-JRPNMDOOSA-N 0 3 319.474 3.589 20 30 DHEDHN COc1cc(C)cc(CN[C@H](CCC#N)c2ccccc2)c1O ZINC000894359630 1013103582 /nfs/dbraw/zinc/10/35/82/1013103582.db2.gz RYHODYYPZCKNIP-QGZVFWFLSA-N 0 3 310.397 3.844 20 30 DHEDHN C#CCCCN1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC001209265843 1013138719 /nfs/dbraw/zinc/13/87/19/1013138719.db2.gz LICBVHHMDOWZAV-UHFFFAOYSA-N 0 3 311.256 3.524 20 30 DHEDHN COc1cccc(C[C@@H]2CCCN2Cc2cc(C#N)ccc2F)c1 ZINC000518993567 1013260099 /nfs/dbraw/zinc/26/00/99/1013260099.db2.gz LANYKJIWDKKHSM-SFHVURJKSA-N 0 3 324.399 3.913 20 30 DHEDHN C=CCCCCCCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC001209439762 1013283240 /nfs/dbraw/zinc/28/32/40/1013283240.db2.gz YGYNPLWPOGVXAC-UHFFFAOYSA-N 0 3 312.461 3.602 20 30 DHEDHN COCCN(Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1ccccc1 ZINC000340142651 1013350943 /nfs/dbraw/zinc/35/09/43/1013350943.db2.gz HYYOVHITTYFMLF-INIZCTEOSA-N 0 3 324.424 3.776 20 30 DHEDHN CO[C@@H]1CCC[C@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000796656503 1013455704 /nfs/dbraw/zinc/45/57/04/1013455704.db2.gz WZTLZPUJAAYZQN-BFHYXJOUSA-N 0 3 312.369 3.599 20 30 DHEDHN C=CCOc1ccc(CNCc2cccc3c2NCCC3)cc1 ZINC000894739698 1013475469 /nfs/dbraw/zinc/47/54/69/1013475469.db2.gz RUEAFUNDKZXKNO-UHFFFAOYSA-N 0 3 308.425 3.899 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc2c(c1)OCO2 ZINC000519578051 1013492890 /nfs/dbraw/zinc/49/28/90/1013492890.db2.gz XHXSORVILPJZCW-GOSISDBHSA-N 0 3 320.392 3.844 20 30 DHEDHN C=C(C)COCCNCc1cn(-c2ccccc2Cl)nc1C ZINC000655748152 1013686822 /nfs/dbraw/zinc/68/68/22/1013686822.db2.gz QUNOJZZMIKJDEC-UHFFFAOYSA-N 0 3 319.836 3.516 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000177224824 1013709893 /nfs/dbraw/zinc/70/98/93/1013709893.db2.gz JBUFISBZVKALGE-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN CC(C)c1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)c([O-])c1 ZINC000331224186 1013863151 /nfs/dbraw/zinc/86/31/51/1013863151.db2.gz AVKATOCCYCWZAA-UHFFFAOYSA-N 0 3 304.434 3.552 20 30 DHEDHN CCCC(=O)Nc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177685915 1013979310 /nfs/dbraw/zinc/97/93/10/1013979310.db2.gz OIPSVAUVZPBGLV-UHFFFAOYSA-N 0 3 313.426 3.648 20 30 DHEDHN CCN(Cc1ccnc(N(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000782176594 1014079976 /nfs/dbraw/zinc/07/99/76/1014079976.db2.gz WQAUAGBDDMYKLN-HNNXBMFYSA-N 0 3 308.429 3.602 20 30 DHEDHN COc1cccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000155760148 1014170839 /nfs/dbraw/zinc/17/08/39/1014170839.db2.gz JYZCFINPWGMKTJ-ZDUSSCGKSA-N 0 3 315.398 3.521 20 30 DHEDHN C=CCN(Cc1ccc(OCC(F)(F)F)c(OC)c1)C1CC1 ZINC000350264863 1014172701 /nfs/dbraw/zinc/17/27/01/1014172701.db2.gz LETKYZNVHQLZRS-UHFFFAOYSA-N 0 3 315.335 3.787 20 30 DHEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001125467994 1014307000 /nfs/dbraw/zinc/30/70/00/1014307000.db2.gz UZFVIBAMXOANCR-LZLYRXPVSA-N 0 3 300.446 3.540 20 30 DHEDHN C=CCC[C@H](N[C@@H]1CCCN(C(C)C)C1=O)c1ccccc1 ZINC000684095248 1014403031 /nfs/dbraw/zinc/40/30/31/1014403031.db2.gz SMFALUUOHSJDSC-ZWKOTPCHSA-N 0 3 300.446 3.683 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCCCC2CCCCC2)CC1 ZINC000521585133 1014733662 /nfs/dbraw/zinc/73/36/62/1014733662.db2.gz TVTPBFQZLDACPP-UHFFFAOYSA-N 0 3 321.509 3.687 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000442792144 1014735058 /nfs/dbraw/zinc/73/50/58/1014735058.db2.gz LQCDIPDKODBKCR-HIFRSBDPSA-N 0 3 311.360 3.795 20 30 DHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cccc(Cl)c2C)CCC1 ZINC000933301559 1014977541 /nfs/dbraw/zinc/97/75/41/1014977541.db2.gz PPUZBTBLLTWRNM-ZDUSSCGKSA-N 0 3 304.821 3.511 20 30 DHEDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(CCC#N)CC1 ZINC000581545862 1014982064 /nfs/dbraw/zinc/98/20/64/1014982064.db2.gz GTKIOLSLRMZTDD-AWEZNQCLSA-N 0 3 301.390 3.980 20 30 DHEDHN N#Cc1ccccc1CN1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931365533 1032107945 /nfs/dbraw/zinc/10/79/45/1032107945.db2.gz LGEPLWYQSRTGEN-QGZVFWFLSA-N 0 3 316.408 3.814 20 30 DHEDHN CCc1ccc(C[C@H](C)NC(=N)c2ccc(Cl)cn2)cc1 ZINC001173234651 1033608733 /nfs/dbraw/zinc/60/87/33/1033608733.db2.gz COOZSRZUEYZBNZ-LBPRGKRZSA-N 0 3 301.821 3.634 20 30 DHEDHN C=CCOc1cccc(CNc2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000656792181 1015163842 /nfs/dbraw/zinc/16/38/42/1015163842.db2.gz PFSQZTKVDFIZGE-FQEVSTJZSA-N 0 3 324.424 3.524 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2occc2-c2ccccc2)CC1 ZINC000106037298 1015167970 /nfs/dbraw/zinc/16/79/70/1015167970.db2.gz IDBKUNCNLBSDNY-UHFFFAOYSA-N 0 3 324.424 3.717 20 30 DHEDHN N#Cc1ccc(CNC2([C@H]3CCCCO3)CC2)c(C(F)(F)F)c1 ZINC000933371722 1015220434 /nfs/dbraw/zinc/22/04/34/1015220434.db2.gz HHBYRUGKZBUBLI-OAHLLOKOSA-N 0 3 324.346 3.768 20 30 DHEDHN C=CCOc1ccccc1CN1CCC2(CCCCO2)CC1 ZINC000895657616 1015244250 /nfs/dbraw/zinc/24/42/50/1015244250.db2.gz BCRXFNZYXBAHKV-UHFFFAOYSA-N 0 3 301.430 3.787 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(C#N)c1 ZINC000178178090 1015398524 /nfs/dbraw/zinc/39/85/24/1015398524.db2.gz SJNUUHGBXNOCED-KGLIPLIRSA-N 0 3 319.408 3.855 20 30 DHEDHN COc1ccc(CN2CCC(CCC#N)CC2)cc1OC(F)F ZINC000581885177 1015458561 /nfs/dbraw/zinc/45/85/61/1015458561.db2.gz JKTHBKPQLDQRAJ-UHFFFAOYSA-N 0 3 324.371 3.812 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](C)c2nccs2)c([O-])c1 ZINC000588435150 1015483537 /nfs/dbraw/zinc/48/35/37/1015483537.db2.gz FZEJYXBVIXDUJT-CYUIRQCWSA-N 0 3 317.458 3.918 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](C)c2nccs2)c([O-])c1 ZINC000588435153 1015483891 /nfs/dbraw/zinc/48/38/91/1015483891.db2.gz FZEJYXBVIXDUJT-FDIDITGRSA-N 0 3 317.458 3.918 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc2[nH]c(=O)oc21 ZINC000891652834 1015490690 /nfs/dbraw/zinc/49/06/90/1015490690.db2.gz OBCMUXGPCJSSMG-UHFFFAOYSA-N 0 3 321.380 3.817 20 30 DHEDHN CC(C)[C@H](C(=O)NCC(=O)NC1CCCCC1)N1CCCCC1 ZINC000329080262 1015638050 /nfs/dbraw/zinc/63/80/50/1015638050.db2.gz CMCDQIUDGHBXCG-QGZVFWFLSA-N 0 3 323.481 3.743 20 30 DHEDHN CC(C)N(Cc1cc(Br)ccc1C#N)CC1CC1 ZINC001141902862 1015670669 /nfs/dbraw/zinc/67/06/69/1015670669.db2.gz GZMJUJJTKMZJNZ-UHFFFAOYSA-N 0 3 307.235 3.941 20 30 DHEDHN CSc1nc(CN(C)CCc2ccc(C)cc2)ccc1C#N ZINC001141941786 1015788011 /nfs/dbraw/zinc/78/80/11/1015788011.db2.gz XUGFUBMOODNNAA-UHFFFAOYSA-N 0 3 311.454 3.658 20 30 DHEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H]4CCCC[C@H]43)o2)cc1 ZINC000247705113 1015958191 /nfs/dbraw/zinc/95/81/91/1015958191.db2.gz YSDHMOOFQIOGON-DOTOQJQBSA-N 0 3 322.412 3.763 20 30 DHEDHN CC[C@@H]1CN(Cc2ccnc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000610993716 1015998089 /nfs/dbraw/zinc/99/80/89/1015998089.db2.gz DFNWSNRTWHVWBY-XLIONFOSSA-N 0 3 305.425 3.969 20 30 DHEDHN CCOc1ccc([C@@H](COC)N[C@@H](C)CC(C)(C)C#N)cc1 ZINC000926382660 1016558222 /nfs/dbraw/zinc/55/82/22/1016558222.db2.gz NUVZGSYPAYYGGP-WMLDXEAASA-N 0 3 304.434 3.691 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@H](CC)CC2CCCCC2)CC1 ZINC000172173382 1016650839 /nfs/dbraw/zinc/65/08/39/1016650839.db2.gz WTRIBWLVXXYCII-QGZVFWFLSA-N 0 3 306.494 3.750 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCc2ccccc2)c1 ZINC000127740317 1016826664 /nfs/dbraw/zinc/82/66/64/1016826664.db2.gz JMVGYWAYCRKGLM-SFHVURJKSA-N 0 3 320.392 3.665 20 30 DHEDHN CC(C)CN(Cc1ccc(C#N)cc1)Cc1cccc2nccn21 ZINC000342651409 1016931835 /nfs/dbraw/zinc/93/18/35/1016931835.db2.gz BWMBDFZFAHTLND-UHFFFAOYSA-N 0 3 318.424 3.864 20 30 DHEDHN CC(=O)Nc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000611624386 1016950461 /nfs/dbraw/zinc/95/04/61/1016950461.db2.gz JETAACFZJIYEND-UONOGXRCSA-N 0 3 307.397 3.928 20 30 DHEDHN C=CCCn1cc(CN[C@@H]2C[C@H](C)C[C@H](c3ccccc3)C2)nn1 ZINC000657492219 1017026012 /nfs/dbraw/zinc/02/60/12/1017026012.db2.gz AFBYQILAKXSFOO-NZSAHSFTSA-N 0 3 324.472 3.916 20 30 DHEDHN N#CC(C(=O)c1cccc(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000362127821 1032243239 /nfs/dbraw/zinc/24/32/39/1032243239.db2.gz BMHSJXRCOKWQSI-GFCCVEGCSA-N 0 3 308.234 3.730 20 30 DHEDHN COc1ccc(Cl)c2c1C[C@@H](N1CCC[C@@H](CC#N)C1)CC2 ZINC001171322016 1032366783 /nfs/dbraw/zinc/36/67/83/1032366783.db2.gz QSJUCSRJIQUUKN-KBPBESRZSA-N 0 3 318.848 3.832 20 30 DHEDHN CCCCCCCCC/C=C/C(=O)N1CC[C@@H](N2CCC2)C1 ZINC001148308597 1032384091 /nfs/dbraw/zinc/38/40/91/1032384091.db2.gz XTAOIDOZFHRWNZ-NCUBBLFSSA-N 0 3 306.494 3.990 20 30 DHEDHN CC(C)CO[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000091964276 1032465893 /nfs/dbraw/zinc/46/58/93/1032465893.db2.gz XWBWCJZJZXWPDD-LJQANCHMSA-N 0 3 316.445 3.616 20 30 DHEDHN CCCCN(C(=O)[C@@H](N)CCCC#N)[C@@H](CC)c1ccccc1 ZINC000424145418 1011916489 /nfs/dbraw/zinc/91/64/89/1011916489.db2.gz UUBIMSOXTGSWAQ-ROUUACIJSA-N 0 3 315.461 3.788 20 30 DHEDHN C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000049508665 1011955975 /nfs/dbraw/zinc/95/59/75/1011955975.db2.gz WKDAZPQGYSXYQN-SJCJKPOMSA-N 0 3 300.789 3.596 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000424555927 1012042381 /nfs/dbraw/zinc/04/23/81/1012042381.db2.gz GFNZEDGKRVHLBL-AWEZNQCLSA-N 0 3 306.475 3.604 20 30 DHEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000301313385 1012069672 /nfs/dbraw/zinc/06/96/72/1012069672.db2.gz DJSPQFURNIWOPP-FQEVSTJZSA-N 0 3 323.436 3.767 20 30 DHEDHN N#Cc1c(CN2CC[C@@H](Cc3ccccc3)C2)cn2ccccc12 ZINC000610215042 1012416551 /nfs/dbraw/zinc/41/65/51/1012416551.db2.gz ZFPREUVOJCFBLW-SFHVURJKSA-N 0 3 315.420 3.876 20 30 DHEDHN COc1ccc(C2(N[C@H](C)c3ccc(OCC#N)cc3)CC2)cc1 ZINC000776960157 1032673890 /nfs/dbraw/zinc/67/38/90/1032673890.db2.gz JXVIYTXWKPQCAC-OAHLLOKOSA-N 0 3 322.408 3.937 20 30 DHEDHN N#CCCCN(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000154770121 1012987500 /nfs/dbraw/zinc/98/75/00/1012987500.db2.gz PKAKGGNSQUIFKE-QGZVFWFLSA-N 0 3 300.427 3.587 20 30 DHEDHN C=CCC1(NCc2ncc(Br)cc2F)CCCC1 ZINC000623571394 1017116238 /nfs/dbraw/zinc/11/62/38/1017116238.db2.gz VEOOCQNFCDIAHQ-UHFFFAOYSA-N 0 3 313.214 3.962 20 30 DHEDHN C=CC(C)(C)CCNCc1ncc(Br)cc1F ZINC000623593188 1017127535 /nfs/dbraw/zinc/12/75/35/1017127535.db2.gz YCDLTBUVRAJRGZ-UHFFFAOYSA-N 0 3 301.203 3.675 20 30 DHEDHN N#Cc1cccc(CNC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000186439072 1017273505 /nfs/dbraw/zinc/27/35/05/1017273505.db2.gz WAEJWIYKFRFUTG-MRXNPFEDSA-N 0 3 304.315 3.994 20 30 DHEDHN C=C(C)[C@@H](N[C@H]1CCCc2cn[nH]c21)c1ccc(F)c(F)c1 ZINC000857865613 1032696947 /nfs/dbraw/zinc/69/69/47/1032696947.db2.gz OLUVUJNBOXOQJV-JKSUJKDBSA-N 0 3 303.356 3.972 20 30 DHEDHN COCC1(C#N)CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC000342833461 1017516078 /nfs/dbraw/zinc/51/60/78/1017516078.db2.gz AWYUIJXGZPXLOP-UHFFFAOYSA-N 0 3 321.424 3.501 20 30 DHEDHN C=CC[C@H](C)N[C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000180947168 1017518179 /nfs/dbraw/zinc/51/81/79/1017518179.db2.gz JRRLHVKJYNHNMZ-NWDGAFQWSA-N 0 3 304.825 3.844 20 30 DHEDHN COc1cc(CN2CCC=C(c3ccccc3)C2)ccc1C#N ZINC000342835451 1017532622 /nfs/dbraw/zinc/53/26/22/1017532622.db2.gz GJHQGATWSNUNHA-UHFFFAOYSA-N 0 3 304.393 3.856 20 30 DHEDHN C#CCCOc1ccc(CN[C@H]2CCc3c2cccc3O)cc1 ZINC000113337345 1017549619 /nfs/dbraw/zinc/54/96/19/1017549619.db2.gz RRCDXIZVKQLFEH-IBGZPJMESA-N 0 3 307.393 3.571 20 30 DHEDHN N#CC(C(=O)CCCOc1ccccc1Cl)c1ccccn1 ZINC000051898259 1017590254 /nfs/dbraw/zinc/59/02/54/1017590254.db2.gz LVWUXFHJPCEJNN-ZDUSSCGKSA-N 0 3 314.772 3.770 20 30 DHEDHN C[C@@H]1CCCCN1c1cccc(NCc2ccccc2C#N)n1 ZINC001167636261 1017826696 /nfs/dbraw/zinc/82/66/96/1017826696.db2.gz ZZCSHWIFRZEIIF-OAHLLOKOSA-N 0 3 306.413 3.944 20 30 DHEDHN CC[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC000182277710 1017888890 /nfs/dbraw/zinc/88/88/90/1017888890.db2.gz SAXAHFRPMJGYEX-JKSUJKDBSA-N 0 3 311.347 3.604 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1SC1CCCC1 ZINC000674243445 1017907757 /nfs/dbraw/zinc/90/77/57/1017907757.db2.gz UUWRZMLCXYIBPI-UHFFFAOYSA-N 0 3 320.506 3.527 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2ccccc2C(C)C)CC1 ZINC000171737342 1017977309 /nfs/dbraw/zinc/97/73/09/1017977309.db2.gz AXMHTKDGPVLAEZ-UHFFFAOYSA-N 0 3 301.434 3.582 20 30 DHEDHN CCOc1c(Cl)cc(CN[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000349821770 1018004238 /nfs/dbraw/zinc/00/42/38/1018004238.db2.gz MTZIAHJSSYSEIW-YPMHNXCESA-N 0 3 308.809 3.529 20 30 DHEDHN C=CCN1CCC(NC(=O)N(CC(C)(C)C)CC(C)(C)C)CC1 ZINC000183618834 1018034072 /nfs/dbraw/zinc/03/40/72/1018034072.db2.gz FRXJOMHHOQFRHG-UHFFFAOYSA-N 0 3 323.525 3.741 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000525369510 1018266736 /nfs/dbraw/zinc/26/67/36/1018266736.db2.gz QEWUZYXUSWWXBI-IBGZPJMESA-N 0 3 314.473 3.583 20 30 DHEDHN CC(=NNCc1cnc2ccccc2c1)c1ccc(N(C)C)cc1 ZINC000764774560 1018372882 /nfs/dbraw/zinc/37/28/82/1018372882.db2.gz BTPQDIXUNDQHBD-UHFFFAOYSA-N 0 3 318.424 3.815 20 30 DHEDHN Cn1cc(CN2CCC[C@H]3CCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000246030119 1018391678 /nfs/dbraw/zinc/39/16/78/1018391678.db2.gz VXCMEANFAWGFQY-VQIMIIECSA-N 0 3 320.440 3.723 20 30 DHEDHN Cc1cc(Cl)ccc1OCCCNCc1ccc(C#N)o1 ZINC000174303457 1018413974 /nfs/dbraw/zinc/41/39/74/1018413974.db2.gz WSOJURHFSNPOIJ-UHFFFAOYSA-N 0 3 304.777 3.672 20 30 DHEDHN N#Cc1cc2ccccc2nc1NC[C@H]1CCCCN1C1CC1 ZINC000764942534 1018427401 /nfs/dbraw/zinc/42/74/01/1018427401.db2.gz SKCRXGHCDXJJKO-QGZVFWFLSA-N 0 3 306.413 3.535 20 30 DHEDHN C[C@H](NCc1ccc(-n2cccn2)cc1)c1cccc(C#N)c1 ZINC000174431089 1018427857 /nfs/dbraw/zinc/42/78/57/1018427857.db2.gz RQJKTYPPMSCRHW-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1ccccc1Br ZINC000675502492 1018514517 /nfs/dbraw/zinc/51/45/17/1018514517.db2.gz RPYDDUVTKHGZGR-XJKSGUPXSA-N 0 3 324.262 3.913 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(-n2ccnc2)cc1 ZINC000361867336 1018741268 /nfs/dbraw/zinc/74/12/68/1018741268.db2.gz ZFRIZVVVHQNEBX-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN N#Cc1cc(CN[C@@H](c2ccccc2)C2CCOCC2)cs1 ZINC000921746751 1018751254 /nfs/dbraw/zinc/75/12/54/1018751254.db2.gz HMZVAASKPQVOCW-SFHVURJKSA-N 0 3 312.438 3.877 20 30 DHEDHN C=CCC[C@@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000765480119 1018804166 /nfs/dbraw/zinc/80/41/66/1018804166.db2.gz JDOFSSCPICMUBQ-MRXNPFEDSA-N 0 3 301.430 3.797 20 30 DHEDHN CCN(CC)[C@H](CNCc1csc(C#N)c1)c1ccsc1 ZINC000921524551 1018819561 /nfs/dbraw/zinc/81/95/61/1018819561.db2.gz OXKCJVOFPWPKBA-MRXNPFEDSA-N 0 3 319.499 3.854 20 30 DHEDHN C[C@H](NCc1csc(C#N)c1)[C@H](O)c1c(F)cccc1Cl ZINC000921806207 1018880776 /nfs/dbraw/zinc/88/07/76/1018880776.db2.gz JJUUPSSREUVQHL-VFZGTOFNSA-N 0 3 324.808 3.624 20 30 DHEDHN C=C[C@H](COC)N[C@H]1CCCc2cc(Br)ccc21 ZINC001116889655 1018896721 /nfs/dbraw/zinc/89/67/21/1018896721.db2.gz GIDAISKGBYWJAW-HIFRSBDPSA-N 0 3 310.235 3.617 20 30 DHEDHN CCCCCCCCNCc1c(Br)cnn1C ZINC000383656121 1018929068 /nfs/dbraw/zinc/92/90/68/1018929068.db2.gz FKIJXMZOGKLTRR-UHFFFAOYSA-N 0 3 302.260 3.633 20 30 DHEDHN N#Cc1cc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)cs1 ZINC000921926718 1019126475 /nfs/dbraw/zinc/12/64/75/1019126475.db2.gz CIWWLTKCESPSIO-RDTXWAMCSA-N 0 3 312.438 3.877 20 30 DHEDHN C=CCOCCN[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000679576810 1019230150 /nfs/dbraw/zinc/23/01/50/1019230150.db2.gz VFJMUKKGRKWVGN-SNVBAGLBSA-N 0 3 305.752 3.795 20 30 DHEDHN CC(C)N(Cc1n[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000611254874 1019420857 /nfs/dbraw/zinc/42/08/57/1019420857.db2.gz SAKNIEWPROIOGB-UHFFFAOYSA-N 0 3 304.397 3.845 20 30 DHEDHN CC(C)N(Cc1[nH]nc2ccccc21)Cc1ccc(C#N)cc1 ZINC000611254874 1019420869 /nfs/dbraw/zinc/42/08/69/1019420869.db2.gz SAKNIEWPROIOGB-UHFFFAOYSA-N 0 3 304.397 3.845 20 30 DHEDHN N#Cc1ccc(CNCc2ccc3c(c2)CCCO3)cc1Cl ZINC000922110039 1019464877 /nfs/dbraw/zinc/46/48/77/1019464877.db2.gz VZNVQKQYJZYRAO-UHFFFAOYSA-N 0 3 312.800 3.826 20 30 DHEDHN Cc1ccccc1[C@H](CO)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393320 1019467689 /nfs/dbraw/zinc/46/76/89/1019467689.db2.gz BXLPAILTEFEGAV-PMACEKPBSA-N 0 3 306.409 3.567 20 30 DHEDHN CSc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000611393304 1019469315 /nfs/dbraw/zinc/46/93/15/1019469315.db2.gz BQQDPSNKWFZDLU-QGZVFWFLSA-N 0 3 309.438 3.842 20 30 DHEDHN CCCC[C@H](NCc1ccnc(C#N)c1)c1ccc(OC)cc1 ZINC000611389843 1019474149 /nfs/dbraw/zinc/47/41/49/1019474149.db2.gz STQSYFQBGXAQFR-IBGZPJMESA-N 0 3 309.413 3.983 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC001128353480 1019479035 /nfs/dbraw/zinc/47/90/35/1019479035.db2.gz VBOLSZJJTIPNAD-QUCCMNQESA-N 0 3 316.489 3.862 20 30 DHEDHN C#CC[C@@H](CCOC)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000858333722 1032849964 /nfs/dbraw/zinc/84/99/64/1032849964.db2.gz OCMHRPYHZKADFX-ZDUSSCGKSA-N 0 3 319.351 3.743 20 30 DHEDHN C=CCCC(C)(C)CNCc1csc(-c2ccn(C)n2)n1 ZINC000922301210 1019980080 /nfs/dbraw/zinc/98/00/80/1019980080.db2.gz CNAGXRFJUJQAGJ-UHFFFAOYSA-N 0 3 304.463 3.626 20 30 DHEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2cc(C#N)ccc2OC)C1 ZINC000154153835 1020077025 /nfs/dbraw/zinc/07/70/25/1020077025.db2.gz SNBIYJSJHMAHIR-HZPDHXFCSA-N 0 3 304.459 3.673 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1C ZINC000922671922 1020203872 /nfs/dbraw/zinc/20/38/72/1020203872.db2.gz JFCMIARVPVLJQU-AWEZNQCLSA-N 0 3 310.397 3.735 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(OCC)cc1 ZINC000073738464 1020230728 /nfs/dbraw/zinc/23/07/28/1020230728.db2.gz ZZEGFZSDBANZPP-HOTGVXAUSA-N 0 3 318.461 3.549 20 30 DHEDHN CCOCOc1ccc(CNCc2ccc(C)c(C#N)c2)cc1 ZINC000922758495 1020252198 /nfs/dbraw/zinc/25/21/98/1020252198.db2.gz DAENDOBGHYRQSM-UHFFFAOYSA-N 0 3 310.397 3.529 20 30 DHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCCCCC2)cc1 ZINC000073598632 1020303039 /nfs/dbraw/zinc/30/30/39/1020303039.db2.gz PZJIZXILDCAIPS-KRWDZBQOSA-N 0 3 313.445 3.506 20 30 DHEDHN N#Cc1ccc(F)c(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000280917636 1020315848 /nfs/dbraw/zinc/31/58/48/1020315848.db2.gz GBNJRQSDYUSBOE-UHOSZYNNSA-N 0 3 316.420 3.603 20 30 DHEDHN C#CCOc1ccc(CNCc2cccc(OC(C)C)c2)cc1 ZINC000733325101 1020372674 /nfs/dbraw/zinc/37/26/74/1020372674.db2.gz XJENVUNAXWLIDF-UHFFFAOYSA-N 0 3 309.409 3.776 20 30 DHEDHN Cc1cc(C)cc(CON=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000255775093 1020379319 /nfs/dbraw/zinc/37/93/19/1020379319.db2.gz PHLNBIJBXGDTIB-UHFFFAOYSA-N 0 3 324.424 3.691 20 30 DHEDHN N#Cc1ccc([C@@H](O)CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000179679493 1020429978 /nfs/dbraw/zinc/42/99/78/1020429978.db2.gz GZLAEBQORQTQRD-KRWDZBQOSA-N 0 3 312.800 3.524 20 30 DHEDHN CCN(Cc1ccc2c(c1)OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000153602866 1020431903 /nfs/dbraw/zinc/43/19/03/1020431903.db2.gz OGGXBQGTYRZISF-CQSZACIVSA-N 0 3 308.381 3.870 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2n[nH]c3ccccc32)c1 ZINC000733801277 1020446642 /nfs/dbraw/zinc/44/66/42/1020446642.db2.gz UMGHPLHKIPYBHW-OAHLLOKOSA-N 0 3 320.396 3.534 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2[nH]nc3ccccc32)c1 ZINC000733801277 1020446647 /nfs/dbraw/zinc/44/66/47/1020446647.db2.gz UMGHPLHKIPYBHW-OAHLLOKOSA-N 0 3 320.396 3.534 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3[nH]cnc3c2)c1 ZINC000733800477 1020447912 /nfs/dbraw/zinc/44/79/12/1020447912.db2.gz VEDWLWNVYJGPIO-MRXNPFEDSA-N 0 3 320.396 3.534 20 30 DHEDHN C=CC[C@H]1CCCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC001171840551 1032902872 /nfs/dbraw/zinc/90/28/72/1032902872.db2.gz FDCFMMXMEABOSN-WMLDXEAASA-N 0 3 318.848 3.733 20 30 DHEDHN N#CCc1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000569971333 1020558847 /nfs/dbraw/zinc/55/88/47/1020558847.db2.gz SJVUNPMLLBFHQB-LJQANCHMSA-N 0 3 308.450 3.873 20 30 DHEDHN C=CCN1CC[C@H](N[C@@H](CC(C)C)c2ccc(Cl)cc2)C1=O ZINC000337167231 1032910994 /nfs/dbraw/zinc/91/09/94/1032910994.db2.gz ASAWSKCUIUPXQG-IRXDYDNUSA-N 0 3 320.864 3.804 20 30 DHEDHN C=CCN1CC[C@@H](N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1=O ZINC000337177568 1032911217 /nfs/dbraw/zinc/91/12/17/1032911217.db2.gz JTLZPIZKXQOGMP-SJORKVTESA-N 0 3 318.436 3.680 20 30 DHEDHN CC[C@@](C)(O)CN(Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000188580480 1020596556 /nfs/dbraw/zinc/59/65/56/1020596556.db2.gz ZCYKKQBCUSWQJL-GOSISDBHSA-N 0 3 314.454 3.783 20 30 DHEDHN N#CC(C(=O)C[C@@H]1CCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000734704249 1020647097 /nfs/dbraw/zinc/64/70/97/1020647097.db2.gz NWYVLEJRJOAWPV-HOCLYGCPSA-N 0 3 315.376 3.859 20 30 DHEDHN N#CC(C(=O)CCC1CC1)c1nc2ccccc2n1C(F)F ZINC000734706720 1020647343 /nfs/dbraw/zinc/64/73/43/1020647343.db2.gz SMJWDTSHTDNASA-NSHDSACASA-N 0 3 303.312 3.798 20 30 DHEDHN N#CCOc1ccc(CN2CCS[C@H](c3ccccc3)C2)cc1 ZINC000735494306 1020744320 /nfs/dbraw/zinc/74/43/20/1020744320.db2.gz BLORVPYUEDFHJG-IBGZPJMESA-N 0 3 324.449 3.879 20 30 DHEDHN C=CCCCN(C)Cn1ncc2c1cccc2Br ZINC000736584925 1020822643 /nfs/dbraw/zinc/82/26/43/1020822643.db2.gz SMMDMSHORVLXRT-UHFFFAOYSA-N 0 3 308.223 3.654 20 30 DHEDHN N#Cc1cccc(OCCCN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000173010625 1020895773 /nfs/dbraw/zinc/89/57/73/1020895773.db2.gz BKTFEUJYTGQWNM-CQSZACIVSA-N 0 3 312.335 3.601 20 30 DHEDHN CC(C)N(CC(=O)Nc1ccccc1SCC#N)C1CCC1 ZINC000173519322 1020917825 /nfs/dbraw/zinc/91/78/25/1020917825.db2.gz MSCPVRFNQZRWRU-UHFFFAOYSA-N 0 3 317.458 3.504 20 30 DHEDHN C=CCCCCCN(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000739885006 1020919655 /nfs/dbraw/zinc/91/96/55/1020919655.db2.gz MEOIZHYLWBTRHE-UHFFFAOYSA-N 0 3 302.378 3.580 20 30 DHEDHN CCCCCCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000740876588 1020958793 /nfs/dbraw/zinc/95/87/93/1020958793.db2.gz UWTXXAMHBORVIH-UHFFFAOYSA-N 0 3 322.456 3.809 20 30 DHEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000249327227 1021080230 /nfs/dbraw/zinc/08/02/30/1021080230.db2.gz NYXCPVJBANPHQQ-CABCVRRESA-N 0 3 306.475 3.698 20 30 DHEDHN CC(C)(C)c1ccc(C#N)c(NC[C@H]2CCCCN2C2CC2)n1 ZINC000617976653 1021202325 /nfs/dbraw/zinc/20/23/25/1021202325.db2.gz HZBOMVZHMPLHDG-MRXNPFEDSA-N 0 3 312.461 3.680 20 30 DHEDHN CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)C(C)C ZINC000177176766 1021220128 /nfs/dbraw/zinc/22/01/28/1021220128.db2.gz RDUZZWUCKOOIPN-LBPRGKRZSA-N 0 3 307.463 3.542 20 30 DHEDHN N#Cc1ccccc1O[C@@H]1CCCN(CCCC(F)(F)F)C1 ZINC001202434090 1021270129 /nfs/dbraw/zinc/27/01/29/1021270129.db2.gz YLPKGXLXXNZWBU-CQSZACIVSA-N 0 3 312.335 3.744 20 30 DHEDHN CCCOc1cccc(CNCc2ccc(OCC#N)cc2)c1 ZINC000069715196 1021334477 /nfs/dbraw/zinc/33/44/77/1021334477.db2.gz MKUUBYIZYZEJDM-UHFFFAOYSA-N 0 3 310.397 3.668 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cccc(OCC)c1 ZINC000068839362 1021395887 /nfs/dbraw/zinc/39/58/87/1021395887.db2.gz WRCKYMOCJFCGFG-HZPDHXFCSA-N 0 3 318.461 3.549 20 30 DHEDHN CCCCCCCCCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000756094574 1021469205 /nfs/dbraw/zinc/46/92/05/1021469205.db2.gz KKVZMTOKHAXRPT-GOSISDBHSA-N 0 3 321.509 3.783 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](C)c1ccccn1 ZINC000850342272 1021478869 /nfs/dbraw/zinc/47/88/69/1021478869.db2.gz JOFNLEFEVCBVFL-CQSZACIVSA-N 0 3 314.816 3.640 20 30 DHEDHN CC(C)(O)c1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000850357075 1021486121 /nfs/dbraw/zinc/48/61/21/1021486121.db2.gz XIFCDTSXKOCIFP-UHFFFAOYSA-N 0 3 308.425 3.811 20 30 DHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)c(F)c1 ZINC000618805642 1021531083 /nfs/dbraw/zinc/53/10/83/1021531083.db2.gz JAPKHJBFPJFYOM-HXPMCKFVSA-N 0 3 305.356 3.907 20 30 DHEDHN COc1cccc2c1CC[C@@H]2N[C@H]1CCc2cc(C#N)ccc21 ZINC000618803385 1021531305 /nfs/dbraw/zinc/53/13/05/1021531305.db2.gz WAKUNANHNITUNL-OALUTQOASA-N 0 3 304.393 3.831 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)c(F)c1 ZINC000618805641 1021531609 /nfs/dbraw/zinc/53/16/09/1021531609.db2.gz JAPKHJBFPJFYOM-CWTRNNRKSA-N 0 3 305.356 3.907 20 30 DHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000618801919 1021532049 /nfs/dbraw/zinc/53/20/49/1021532049.db2.gz BSINAKJTFGUXTL-ACJLOTCBSA-N 0 3 320.392 3.668 20 30 DHEDHN C[C@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)c2c1c(F)ccc2[O-] ZINC000850486747 1021560214 /nfs/dbraw/zinc/56/02/14/1021560214.db2.gz DBAVZXPMUKZDCA-LRDDRELGSA-N 0 3 310.372 3.784 20 30 DHEDHN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NCC1(C#N)CCCCC1 ZINC000850552438 1021599849 /nfs/dbraw/zinc/59/98/49/1021599849.db2.gz ZHCNFXNBZGZZTA-CABCVRRESA-N 0 3 323.481 3.742 20 30 DHEDHN COc1cccc(C[C@H]2CCCN2Cc2cccc(C#N)c2F)c1 ZINC000538140134 1032995789 /nfs/dbraw/zinc/99/57/89/1032995789.db2.gz RCQRISKLHOAXKX-GOSISDBHSA-N 0 3 324.399 3.913 20 30 DHEDHN N#CC(C(=O)C1CCC(C2CC2)CC1)c1nc2ccccc2[nH]1 ZINC000850738343 1021632866 /nfs/dbraw/zinc/63/28/66/1021632866.db2.gz JYTYQCLEGQLPJM-NRXISQOPSA-N 0 3 307.397 3.956 20 30 DHEDHN CCCCCCCC[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000850753284 1021639662 /nfs/dbraw/zinc/63/96/62/1021639662.db2.gz XERFPIMQLQXZJX-JKSUJKDBSA-N 0 3 306.450 3.704 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)cc1 ZINC000850760467 1021642141 /nfs/dbraw/zinc/64/21/41/1021642141.db2.gz SMJYXDNBFDMPNT-QGZVFWFLSA-N 0 3 324.424 3.867 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1 ZINC000850760878 1021642170 /nfs/dbraw/zinc/64/21/70/1021642170.db2.gz FDIGWFRORJYXQV-DOMZBBRYSA-N 0 3 304.365 3.597 20 30 DHEDHN C=CCCCCC[C@H](N)C(=O)Nc1ccnc(Cl)c1Cl ZINC001218558077 1021643206 /nfs/dbraw/zinc/64/32/06/1021643206.db2.gz AAGBYWANMSFVHB-JTQLQIEISA-N 0 3 316.232 3.791 20 30 DHEDHN C#CCN1CCC(C(=O)Nc2ccc(CCC(C)C)cc2)CC1 ZINC000745152832 1021666342 /nfs/dbraw/zinc/66/63/42/1021666342.db2.gz ACCGKAGOGMOEAO-UHFFFAOYSA-N 0 3 312.457 3.559 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000728711564 1021846456 /nfs/dbraw/zinc/84/64/56/1021846456.db2.gz GFBKSOKRAUCMFF-CABCVRRESA-N 0 3 305.381 3.700 20 30 DHEDHN N#CC1(c2ccccn2)CCN([C@H]2CCc3ccccc32)CC1 ZINC000619723031 1021848105 /nfs/dbraw/zinc/84/81/05/1021848105.db2.gz OENVYHFVCOVJCZ-SFHVURJKSA-N 0 3 303.409 3.626 20 30 DHEDHN COc1cccc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000728712072 1021864559 /nfs/dbraw/zinc/86/45/59/1021864559.db2.gz XPVFTHWWBPOOIL-GJZGRUSLSA-N 0 3 310.397 3.837 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000728711855 1021880606 /nfs/dbraw/zinc/88/06/06/1021880606.db2.gz NKGRGTRATLVAQY-ORAYPTAESA-N 0 3 310.372 3.894 20 30 DHEDHN C#CCOc1ccccc1CN[C@@H]1CCCc2cc(OC)ccc21 ZINC000746195600 1021885977 /nfs/dbraw/zinc/88/59/77/1021885977.db2.gz DAAYYYFHTRJDSW-HXUWFJFHSA-N 0 3 321.420 3.874 20 30 DHEDHN C#CCOCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000851879048 1022027572 /nfs/dbraw/zinc/02/75/72/1022027572.db2.gz GCAXSPPXGQMPCH-KRWDZBQOSA-N 0 3 309.409 3.605 20 30 DHEDHN C#CCOCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000851879048 1022027589 /nfs/dbraw/zinc/02/75/89/1022027589.db2.gz GCAXSPPXGQMPCH-KRWDZBQOSA-N 0 3 309.409 3.605 20 30 DHEDHN N#Cc1cccc(C2(NCc3cc(-n4ccnc4)cs3)CC2)c1 ZINC000341209159 1022049621 /nfs/dbraw/zinc/04/96/21/1022049621.db2.gz COCHUSWRVMAGJV-UHFFFAOYSA-N 0 3 320.421 3.584 20 30 DHEDHN CCCCCCC[C@@H](C)CNC(=S)NC1CCN(C)CC1 ZINC000920310851 1022098966 /nfs/dbraw/zinc/09/89/66/1022098966.db2.gz GZSLEBRQIHYBTP-OAHLLOKOSA-N 0 3 313.555 3.541 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN2CCCC2)c1 ZINC000620312708 1022119841 /nfs/dbraw/zinc/11/98/41/1022119841.db2.gz ILLFGQDEKVHYLN-KDURUIRLSA-N 0 3 310.441 3.606 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1ccccc1C(F)(F)F ZINC000852685667 1022159630 /nfs/dbraw/zinc/15/96/30/1022159630.db2.gz HUFOORAOJTYIEK-DVOMOZLQSA-N 0 3 311.347 3.922 20 30 DHEDHN COc1cc(CN2CCC[C@H](CC#N)C2)c(O)c(C(C)(C)C)c1 ZINC000853524999 1022287798 /nfs/dbraw/zinc/28/77/98/1022287798.db2.gz AYABCDBWQZRSGR-CQSZACIVSA-N 0 3 316.445 3.824 20 30 DHEDHN N#CC(C(=O)Nc1ccccc1)c1nc2cc(F)ccc2s1 ZINC000609627602 1022319163 /nfs/dbraw/zinc/31/91/63/1022319163.db2.gz STWSXLKVRIHSNJ-GFCCVEGCSA-N 0 3 311.341 3.681 20 30 DHEDHN CC(C)[Si](C#CNC[C@@H](O)C(F)(F)F)(C(C)C)C(C)C ZINC001169454988 1022413020 /nfs/dbraw/zinc/41/30/20/1022413020.db2.gz CLJHVBKMLMLOFO-CYBMUJFWSA-N 0 3 309.448 3.678 20 30 DHEDHN Cc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)s1 ZINC000155771348 1022420609 /nfs/dbraw/zinc/42/06/09/1022420609.db2.gz KTRGWEPJULPZAH-JTQLQIEISA-N 0 3 305.428 3.882 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc3cccnc32)cc1 ZINC000237597276 1022456713 /nfs/dbraw/zinc/45/67/13/1022456713.db2.gz MECHUNKBVVTLFT-OAHLLOKOSA-N 0 3 317.392 3.815 20 30 DHEDHN CC(C)[C@@H](C#N)c1ccc(N2CCCc3ccc(CN)nc32)cc1 ZINC001169590232 1022457976 /nfs/dbraw/zinc/45/79/76/1022457976.db2.gz BKLPNEVSBLYUCR-LJQANCHMSA-N 0 3 320.440 3.888 20 30 DHEDHN CN(CCC(C)(C)C#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000157596383 1022559610 /nfs/dbraw/zinc/55/96/10/1022559610.db2.gz UXBOBAHDCSBZIW-UHFFFAOYSA-N 0 3 300.324 3.957 20 30 DHEDHN Cc1cc(C#N)ccc1CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000776789860 1022576218 /nfs/dbraw/zinc/57/62/18/1022576218.db2.gz LJTYIBHROJBQMD-OAQYLSRUSA-N 0 3 320.436 3.812 20 30 DHEDHN N#Cc1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)n1 ZINC000876522349 1033082135 /nfs/dbraw/zinc/08/21/35/1033082135.db2.gz ONSOQOBPZSRSED-UHFFFAOYSA-N 0 3 321.424 3.994 20 30 DHEDHN N#Cc1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)n1 ZINC000876522349 1033082146 /nfs/dbraw/zinc/08/21/46/1033082146.db2.gz ONSOQOBPZSRSED-UHFFFAOYSA-N 0 3 321.424 3.994 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cncc(C)c2)c1 ZINC000768233356 1022930869 /nfs/dbraw/zinc/93/08/69/1022930869.db2.gz WSWXGSYEAYNZLW-MAUKXSAKSA-N 0 3 309.413 3.922 20 30 DHEDHN CCCc1ccc(CN(C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC000857049614 1022934571 /nfs/dbraw/zinc/93/45/71/1022934571.db2.gz NBZKDCQPCOFCIK-SFHVURJKSA-N 0 3 314.454 3.738 20 30 DHEDHN C#CC[C@@H](N[C@H]1CCN(C(C)=O)c2ccccc21)c1ccccc1 ZINC000857075901 1022944260 /nfs/dbraw/zinc/94/42/60/1022944260.db2.gz KREASRSMRMVETE-UXHICEINSA-N 0 3 318.420 3.839 20 30 DHEDHN C=CC[C@@H](N[C@H]1CCN(C(C)=O)c2ccccc21)c1ccncc1 ZINC000857076758 1022944341 /nfs/dbraw/zinc/94/43/41/1022944341.db2.gz XLUSPQBFHXADOY-MOPGFXCFSA-N 0 3 321.424 3.786 20 30 DHEDHN C=CCOc1ccccc1CN1CCC(OC2CCC2)CC1 ZINC000418106410 1022960306 /nfs/dbraw/zinc/96/03/06/1022960306.db2.gz ZNAZWTQCSWLXGV-UHFFFAOYSA-N 0 3 301.430 3.785 20 30 DHEDHN Cc1cccnc1[C@@H](NCc1ccc(OCC#N)cc1)C(C)C ZINC000266005604 1022972441 /nfs/dbraw/zinc/97/24/41/1022972441.db2.gz PTMOKLBQTJKAOF-SFHVURJKSA-N 0 3 309.413 3.779 20 30 DHEDHN Cn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)c(C(C)(C)C)n1 ZINC000418151451 1022979040 /nfs/dbraw/zinc/97/90/40/1022979040.db2.gz XIGAJMSSRMIUJR-SFHVURJKSA-N 0 3 322.456 3.756 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1ccc2ccccc2c1 ZINC000876598562 1033101539 /nfs/dbraw/zinc/10/15/39/1033101539.db2.gz NXZIEJJSVVCLLN-QGZVFWFLSA-N 0 3 316.832 3.658 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)cc1 ZINC000123670562 1023060286 /nfs/dbraw/zinc/06/02/86/1023060286.db2.gz NWHJYVVMDVULFR-GUYCJALGSA-N 0 3 324.380 3.683 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000876608151 1033103207 /nfs/dbraw/zinc/10/32/07/1033103207.db2.gz ZUROUMARNUQERP-JKSUJKDBSA-N 0 3 306.837 3.504 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000876606552 1033103489 /nfs/dbraw/zinc/10/34/89/1033103489.db2.gz BUVNZAGGRKVLDW-JKSUJKDBSA-N 0 3 306.837 3.600 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000876605718 1033104218 /nfs/dbraw/zinc/10/42/18/1033104218.db2.gz WRZOVMASBYTSBC-CVEARBPZSA-N 0 3 324.827 3.643 20 30 DHEDHN Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1C#N ZINC000859228739 1033106832 /nfs/dbraw/zinc/10/68/32/1033106832.db2.gz CWJMHWFATLCKEY-CQSZACIVSA-N 0 3 319.408 3.602 20 30 DHEDHN Cc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1C#N ZINC000859231982 1033108769 /nfs/dbraw/zinc/10/87/69/1033108769.db2.gz PMFJKJOUWJHHPD-OAHLLOKOSA-N 0 3 305.381 3.620 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)ccc1SCC ZINC000876647690 1033115624 /nfs/dbraw/zinc/11/56/24/1033115624.db2.gz IINMKLRLUKVYAB-SNVBAGLBSA-N 0 3 319.257 3.860 20 30 DHEDHN C#C[C@H](C)N(C)CCSc1ccnc2cc(Cl)ccc21 ZINC000769962305 1023247447 /nfs/dbraw/zinc/24/74/47/1023247447.db2.gz WQTPBFTXULYCBP-LBPRGKRZSA-N 0 3 304.846 3.934 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000876685627 1033123401 /nfs/dbraw/zinc/12/34/01/1033123401.db2.gz TVDOLASDMHXLAN-IKGGRYGDSA-N 0 3 320.864 3.559 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000876685633 1033123850 /nfs/dbraw/zinc/12/38/50/1033123850.db2.gz TVDOLASDMHXLAN-YESZJQIVSA-N 0 3 320.864 3.559 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(C)CCCC(CC)CC)CC1 ZINC000660598404 1023341100 /nfs/dbraw/zinc/34/11/00/1023341100.db2.gz YMTIYJRMHXDVGT-UHFFFAOYSA-N 0 3 323.525 3.885 20 30 DHEDHN CCCCCCC[C@@H](CC)N1CCC(C#N)(C(=O)OC)CC1 ZINC001172360104 1033139681 /nfs/dbraw/zinc/13/96/81/1033139681.db2.gz JTWPPWDIYWBCBS-MRXNPFEDSA-N 0 3 308.466 3.904 20 30 DHEDHN CCCCCCC[C@@H](CC)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172362154 1033142411 /nfs/dbraw/zinc/14/24/11/1033142411.db2.gz SSSCEZFJDHUBFV-HZPDHXFCSA-N 0 3 303.512 3.635 20 30 DHEDHN C#CCN(Cc1ccc2c[nH]nc2c1)[C@H]1CCc2ccccc21 ZINC000772600150 1023576599 /nfs/dbraw/zinc/57/65/99/1023576599.db2.gz UWHAJPAQIFPOIG-FQEVSTJZSA-N 0 3 301.393 3.686 20 30 DHEDHN CN(C)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1F ZINC000785617578 1023599178 /nfs/dbraw/zinc/59/91/78/1023599178.db2.gz OCXMINHXJYWNTP-GOSISDBHSA-N 0 3 309.388 3.540 20 30 DHEDHN C#CCCCCCCNc1ccccc1CN1CCC(O)CC1 ZINC000876827813 1033159499 /nfs/dbraw/zinc/15/94/99/1033159499.db2.gz XEUXIFGINMHUHL-UHFFFAOYSA-N 0 3 314.473 3.639 20 30 DHEDHN CN(Cc1cc2ccccc2o1)Cc1ccc(OCC#N)cc1 ZINC000746676447 1023785937 /nfs/dbraw/zinc/78/59/37/1023785937.db2.gz WGVDQHPQIYSEHL-UHFFFAOYSA-N 0 3 306.365 3.967 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000662082991 1023895676 /nfs/dbraw/zinc/89/56/76/1023895676.db2.gz ZBRXSAGEZUEPRJ-CWRNSKLLSA-N 0 3 316.470 3.919 20 30 DHEDHN CC(C)(C#N)CCN1CCC2(CC1)OCCc1ccsc12 ZINC000346963327 1023973808 /nfs/dbraw/zinc/97/38/08/1023973808.db2.gz MDLSQXOHAKIBDU-UHFFFAOYSA-N 0 3 304.459 3.552 20 30 DHEDHN C#CCSCCN[C@@H](C)c1sccc1Br ZINC000130020663 1024120588 /nfs/dbraw/zinc/12/05/88/1024120588.db2.gz VMTIGAVRHJFDFH-VIFPVBQESA-N 0 3 304.278 3.528 20 30 DHEDHN C=CCC[C@H](Cc1ccccc1)NCc1nnc2n1CCCCC2 ZINC000883166649 1024263231 /nfs/dbraw/zinc/26/32/31/1024263231.db2.gz FZGAVWNHZCFKEL-GOSISDBHSA-N 0 3 324.472 3.672 20 30 DHEDHN C=CCCC1(CNC(=O)c2cc3c(s2)CCNC3)CCCC1 ZINC000662620096 1024271747 /nfs/dbraw/zinc/27/17/47/1024271747.db2.gz BVMBWNBHTGUXNO-UHFFFAOYSA-N 0 3 318.486 3.650 20 30 DHEDHN C=CCCC[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccccc1 ZINC000883220736 1024296611 /nfs/dbraw/zinc/29/66/11/1024296611.db2.gz OMNFNKWWEQDMDI-KRWDZBQOSA-N 0 3 321.486 3.641 20 30 DHEDHN C=CCC[C@H](NCc1noc2ccc(F)cc21)[C@@H]1CCCO1 ZINC000883241763 1024311889 /nfs/dbraw/zinc/31/18/89/1024311889.db2.gz KDFJLRZGHQPABL-YOEHRIQHSA-N 0 3 304.365 3.570 20 30 DHEDHN Cc1c([C@@H](C)N[C@H]2CC[C@@H](CC#N)C2)nnn1-c1ccc(C)cc1 ZINC000453290605 1024440613 /nfs/dbraw/zinc/44/06/13/1024440613.db2.gz KQDCHMXLOUJSFJ-PVAVHDDUSA-N 0 3 323.444 3.617 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cccc2cc[nH]c21 ZINC000271076175 1024455347 /nfs/dbraw/zinc/45/53/47/1024455347.db2.gz RQYLVAZCVNNEJP-UHFFFAOYSA-N 0 3 319.408 3.688 20 30 DHEDHN C=CC(C)(C)CN[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000453314324 1024457453 /nfs/dbraw/zinc/45/74/53/1024457453.db2.gz YJAPWCODGDYWRH-GFCCVEGCSA-N 0 3 302.397 3.578 20 30 DHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000453351053 1024476245 /nfs/dbraw/zinc/47/62/45/1024476245.db2.gz KMNVZZDQUXYWEI-ZFWWWQNUSA-N 0 3 302.443 3.788 20 30 DHEDHN C[C@@H](c1ccc(C#N)c(F)c1)N1CCC[C@@]2(CCSC2)C1 ZINC000453353575 1024479152 /nfs/dbraw/zinc/47/91/52/1024479152.db2.gz JPMBGSNBQZWUSS-SUMWQHHRSA-N 0 3 304.434 3.977 20 30 DHEDHN CC(C)(C)[C@@H]1OCCC[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000877038108 1033214299 /nfs/dbraw/zinc/21/42/99/1033214299.db2.gz HROSNBKMTZEMSY-DZGCQCFKSA-N 0 3 321.852 3.538 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1OC(F)(F)F ZINC000453380468 1024498018 /nfs/dbraw/zinc/49/80/18/1024498018.db2.gz ZVTXURDGIHZZTH-UHTWSYAYSA-N 0 3 301.308 3.579 20 30 DHEDHN C#CC[C@H](N[C@H](C)c1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000271466116 1024513625 /nfs/dbraw/zinc/51/36/25/1024513625.db2.gz HWRYIHSDUNBESH-MPHOGZCYSA-N 0 3 311.450 3.839 20 30 DHEDHN OCCC[C@@H](NCC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000271650484 1024556508 /nfs/dbraw/zinc/55/65/08/1024556508.db2.gz BBSFHAZIKSBLCZ-LJQANCHMSA-N 0 3 313.828 3.795 20 30 DHEDHN CC[C@H](C)CN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000111692138 1024561075 /nfs/dbraw/zinc/56/10/75/1024561075.db2.gz BLANYEOIUBYVKX-AWEZNQCLSA-N 0 3 321.852 3.565 20 30 DHEDHN CN(Cc1ccc(Br)c(F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000339126668 1024571319 /nfs/dbraw/zinc/57/13/19/1024571319.db2.gz SVVGVJHLGDYZQQ-JQWIXIFHSA-N 0 3 311.198 3.712 20 30 DHEDHN C=CCNC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC001202571359 1024574166 /nfs/dbraw/zinc/57/41/66/1024574166.db2.gz IJPHYUHJVPYQRK-QGZVFWFLSA-N 0 3 321.424 3.571 20 30 DHEDHN C=CCOc1cccc(CN2CCC=C(c3ccncc3)C2)c1 ZINC000348835713 1024628415 /nfs/dbraw/zinc/62/84/15/1024628415.db2.gz BABZIEGJENASOJ-UHFFFAOYSA-N 0 3 306.409 3.936 20 30 DHEDHN C[C@@H](CCCC#N)NCc1cn(Cc2cccc(Cl)c2)cn1 ZINC001172494227 1033225669 /nfs/dbraw/zinc/22/56/69/1033225669.db2.gz XZAJTFRYANLATC-AWEZNQCLSA-N 0 3 316.836 3.757 20 30 DHEDHN C#C[C@H]1CC[C@H](N[C@H](C)c2ncc(Br)s2)CC1 ZINC000872140835 1024698217 /nfs/dbraw/zinc/69/82/17/1024698217.db2.gz ZYQCPBLEJWDJPQ-GMTAPVOTSA-N 0 3 313.264 3.748 20 30 DHEDHN COc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000110036867 1024705978 /nfs/dbraw/zinc/70/59/78/1024705978.db2.gz MHSVZTLYCYTOMZ-UHFFFAOYSA-N 0 3 321.424 3.643 20 30 DHEDHN N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001170364882 1024754751 /nfs/dbraw/zinc/75/47/51/1024754751.db2.gz KEQNFDARIARBBJ-UHFFFAOYSA-N 0 3 322.408 3.592 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N2CCCCC23COC3)CC1 ZINC001170389410 1024760917 /nfs/dbraw/zinc/76/09/17/1024760917.db2.gz RDQKIZFYSCVHDX-UHFFFAOYSA-N 0 3 310.441 3.645 20 30 DHEDHN N#CCc1ccc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931911072 1024826601 /nfs/dbraw/zinc/82/66/01/1024826601.db2.gz KGXIZIUPFNAKDG-CQSZACIVSA-N 0 3 312.310 3.619 20 30 DHEDHN N#Cc1csc(CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000182117415 1024910566 /nfs/dbraw/zinc/91/05/66/1024910566.db2.gz VPMKNXJYSAWGTQ-HOTGVXAUSA-N 0 3 318.829 3.893 20 30 DHEDHN CC[C@H](NCc1ccc([S@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000618571845 1024972669 /nfs/dbraw/zinc/97/26/69/1024972669.db2.gz BTGDAZXKONMWGW-AVRDEDQJSA-N 0 3 312.438 3.537 20 30 DHEDHN C=C(Br)CN[C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000793523758 1025074452 /nfs/dbraw/zinc/07/44/52/1025074452.db2.gz FELPMZLOQVSMEA-NILFDRSVSA-N 0 3 310.235 3.685 20 30 DHEDHN CN(C)C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000353598926 1025146012 /nfs/dbraw/zinc/14/60/12/1025146012.db2.gz VIJMYASAKKDOMI-UXHICEINSA-N 0 3 323.415 3.577 20 30 DHEDHN C[C@H]1CN(Cc2cccc(C#N)c2)[C@@H](C)CN1Cc1ccccc1 ZINC001168193577 1025171905 /nfs/dbraw/zinc/17/19/05/1025171905.db2.gz RQYWSOOQNDDDNN-ROUUACIJSA-N 0 3 319.452 3.653 20 30 DHEDHN C=CC[C@@H](C)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001167889383 1025190536 /nfs/dbraw/zinc/19/05/36/1025190536.db2.gz LEEWNYQUPMQXRD-ZBFHGGJFSA-N 0 3 312.413 3.592 20 30 DHEDHN C=CCCC1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000353811972 1025255217 /nfs/dbraw/zinc/25/52/17/1025255217.db2.gz FBTPIHGSXWLIHY-OAHLLOKOSA-N 0 3 318.486 3.748 20 30 DHEDHN C=CCCC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000353825340 1025262110 /nfs/dbraw/zinc/26/21/10/1025262110.db2.gz KWTMUSMWPRCUKQ-SFHVURJKSA-N 0 3 312.457 3.686 20 30 DHEDHN C[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C ZINC001168202047 1025265233 /nfs/dbraw/zinc/26/52/33/1025265233.db2.gz QEKKCBKKBSIYTB-KBPBESRZSA-N 0 3 311.347 3.915 20 30 DHEDHN C=CC(C)(C)CCCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000877303395 1033277820 /nfs/dbraw/zinc/27/78/20/1033277820.db2.gz FRMPZSNYMQVAPS-CQSZACIVSA-N 0 3 323.868 3.542 20 30 DHEDHN COc1cc(C#N)ccc1OCCN1CCc2ccccc2[C@H]1C ZINC000354377378 1025418221 /nfs/dbraw/zinc/41/82/21/1025418221.db2.gz BPKHPVQKYKINSY-OAHLLOKOSA-N 0 3 322.408 3.565 20 30 DHEDHN CN(C)Cc1cccc(NC(=O)C[C@H](CC#N)c2ccccc2)c1 ZINC000354385392 1025420139 /nfs/dbraw/zinc/42/01/39/1025420139.db2.gz MEAHUJJZWUEWJI-SFHVURJKSA-N 0 3 321.424 3.774 20 30 DHEDHN CSc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237326649 1025446164 /nfs/dbraw/zinc/44/61/64/1025446164.db2.gz ZFPALKXLFUORBH-AWEZNQCLSA-N 0 3 312.438 3.989 20 30 DHEDHN Cc1nn(-c2ccccc2C)c(C)c1CNCC(C)(C)CC#N ZINC000886142452 1025527057 /nfs/dbraw/zinc/52/70/57/1025527057.db2.gz CNIGRXFGRFVFAM-UHFFFAOYSA-N 0 3 310.445 3.827 20 30 DHEDHN CC[C@@H]1CC(N[C@@H](C)CC#N)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170475038 1025532432 /nfs/dbraw/zinc/53/24/32/1025532432.db2.gz MGCMQIQMRYXZLK-NUEKZKHPSA-N 0 3 323.481 3.835 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000886353188 1025600792 /nfs/dbraw/zinc/60/07/92/1025600792.db2.gz DCLLZDPSUKAEDT-CYBMUJFWSA-N 0 3 300.789 3.840 20 30 DHEDHN C#CC[C@H]1CCN([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000886355278 1025603431 /nfs/dbraw/zinc/60/34/31/1025603431.db2.gz FVEDYSIEOVCLIR-OLZOCXBDSA-N 0 3 315.804 3.796 20 30 DHEDHN CN(C)[C@H](CNc1cccc(Cl)c1C#N)c1ccsc1 ZINC000355180834 1025628097 /nfs/dbraw/zinc/62/80/97/1025628097.db2.gz QIMIVJGNQNAGHH-OAHLLOKOSA-N 0 3 305.834 3.988 20 30 DHEDHN CC(C)[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000886626942 1025746714 /nfs/dbraw/zinc/74/67/14/1025746714.db2.gz ONGCFMGCEOZRTH-RTBURBONSA-N 0 3 308.429 3.656 20 30 DHEDHN Cc1ccc([C@H]2CSCCN2CCCSCC#N)cc1 ZINC000074991064 1025832141 /nfs/dbraw/zinc/83/21/41/1025832141.db2.gz MKMQWSGJKGHVEF-MRXNPFEDSA-N 0 3 306.500 3.732 20 30 DHEDHN C=CCC[C@H](NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1ccco1 ZINC000886771669 1025890630 /nfs/dbraw/zinc/89/06/30/1025890630.db2.gz LTWRNEGXVRRTFD-BRFLTPSNSA-N 0 3 319.445 3.849 20 30 DHEDHN CCc1cccc(CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000178716994 1025923259 /nfs/dbraw/zinc/92/32/59/1025923259.db2.gz SADQVRRFPORKTG-OAHLLOKOSA-N 0 3 304.349 3.809 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@H]2CC2(O)CCCCC2)o1 ZINC000887034445 1026022321 /nfs/dbraw/zinc/02/23/21/1026022321.db2.gz VQOPXCBUXREWQS-HNNXBMFYSA-N 0 3 302.418 3.591 20 30 DHEDHN CCOCc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237006091 1026032512 /nfs/dbraw/zinc/03/25/12/1026032512.db2.gz MPDGWVOPKRQAMW-MRXNPFEDSA-N 0 3 324.424 3.804 20 30 DHEDHN CCCSCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000128899398 1026099405 /nfs/dbraw/zinc/09/94/05/1026099405.db2.gz MOBXVJKAQUYNMF-LBPRGKRZSA-N 0 3 317.439 3.525 20 30 DHEDHN C=CCOc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1OC ZINC000091974428 1026107509 /nfs/dbraw/zinc/10/75/09/1026107509.db2.gz FIQAYFYKWTTXQI-UHFFFAOYSA-N 0 3 313.397 3.598 20 30 DHEDHN C=CCOc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1OC ZINC000091974428 1026107514 /nfs/dbraw/zinc/10/75/14/1026107514.db2.gz FIQAYFYKWTTXQI-UHFFFAOYSA-N 0 3 313.397 3.598 20 30 DHEDHN CCOc1ccc(CN(C)Cc2ccc(OCC#N)cc2)cc1 ZINC000729266820 1026405008 /nfs/dbraw/zinc/40/50/08/1026405008.db2.gz JLJXSHOKNUAFBN-UHFFFAOYSA-N 0 3 310.397 3.620 20 30 DHEDHN CCOCC(C)(C)C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000809144175 1026467881 /nfs/dbraw/zinc/46/78/81/1026467881.db2.gz GHSXXOBIFYSZTJ-XDHOZWIPSA-N 0 3 306.450 3.720 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(Br)s2)cc1 ZINC000809604183 1026573675 /nfs/dbraw/zinc/57/36/75/1026573675.db2.gz OPXSOGIODCDFKL-UHFFFAOYSA-N 0 3 306.228 3.782 20 30 DHEDHN C#Cc1ccc(CN[C@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000809779923 1026623013 /nfs/dbraw/zinc/62/30/13/1026623013.db2.gz FCPDBTFNFONGHV-OAHLLOKOSA-N 0 3 309.409 3.844 20 30 DHEDHN C#C[C@H](NCc1cc(Cl)c(OC)c(OCC)c1)C(C)(C)C ZINC000809782930 1026624309 /nfs/dbraw/zinc/62/43/09/1026624309.db2.gz LHJCSQMAMKYRTA-HNNXBMFYSA-N 0 3 309.837 3.885 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN(C)Cc2ccccc2N(C)C)cc1 ZINC000809787534 1026625821 /nfs/dbraw/zinc/62/58/21/1026625821.db2.gz HGNNZZFYAJPFGN-MRXNPFEDSA-N 0 3 323.440 3.675 20 30 DHEDHN CCN(C)c1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000810251677 1026729938 /nfs/dbraw/zinc/72/99/38/1026729938.db2.gz VASNWQDRPACBRV-HNNXBMFYSA-N 0 3 323.440 3.874 20 30 DHEDHN CO[C@@H](c1ccccc1F)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000421343739 1026957309 /nfs/dbraw/zinc/95/73/09/1026957309.db2.gz QMSULEUIHQREEB-KPZWWZAWSA-N 0 3 316.351 3.702 20 30 DHEDHN C=CCOc1ccccc1CNCc1cc(C)cc(OC)c1O ZINC000894260258 1027014580 /nfs/dbraw/zinc/01/45/80/1027014580.db2.gz LRRQOSAGHIMAMJ-UHFFFAOYSA-N 0 3 313.397 3.564 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\CCCc2nccs2)c([O-])c1 ZINC000811625583 1027038651 /nfs/dbraw/zinc/03/86/51/1027038651.db2.gz PZCROSZIBDEIHY-AQTBWJFISA-N 0 3 317.458 3.747 20 30 DHEDHN C[C@H]1C(N=Nc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000811637768 1027046590 /nfs/dbraw/zinc/04/65/90/1027046590.db2.gz KFKKLLDHPFAXMG-HNNXBMFYSA-N 0 3 304.397 3.621 20 30 DHEDHN COc1ccc(CN(C)CCOCc2ccc(C#N)cc2)cc1C ZINC000561983323 1027158489 /nfs/dbraw/zinc/15/84/89/1027158489.db2.gz UAVDUEPUZIMNEO-UHFFFAOYSA-N 0 3 324.424 3.524 20 30 DHEDHN C=CCN(Cc1ccc(OC)c(OCCCC#N)c1)C1CC1 ZINC000273507304 1027249758 /nfs/dbraw/zinc/24/97/58/1027249758.db2.gz QHGMCULNQSZMEF-UHFFFAOYSA-N 0 3 300.402 3.528 20 30 DHEDHN C#C[C@H](N[C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(F)cc1 ZINC000812792982 1027423425 /nfs/dbraw/zinc/42/34/25/1027423425.db2.gz KRXAYPLBAKTGHZ-YJBOKZPZSA-N 0 3 304.368 3.738 20 30 DHEDHN C/C(=N\O)c1ccc(-n2c(-c3ccccc3)cnc2[C@H](C)N)cc1 ZINC001170687963 1027428899 /nfs/dbraw/zinc/42/88/99/1027428899.db2.gz OSNXHMPYWRXNJF-MDUHSQENSA-N 0 3 320.396 3.757 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1F)[C@H](C)[C@H](O)c1ccccc1 ZINC000812854722 1027451647 /nfs/dbraw/zinc/45/16/47/1027451647.db2.gz VYRDQSKZZBPDCX-KUHUBIRLSA-N 0 3 312.388 3.641 20 30 DHEDHN CCC#C[C@H](C)N1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000812864115 1027458033 /nfs/dbraw/zinc/45/80/33/1027458033.db2.gz YBGBXCHMEGLCAF-OXJNMPFZSA-N 0 3 315.457 3.633 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000575851298 1027513034 /nfs/dbraw/zinc/51/30/34/1027513034.db2.gz IIICIWSVIKQSQK-CXAGYDPISA-N 0 3 316.832 3.927 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(Cl)s1 ZINC000036384523 1027539245 /nfs/dbraw/zinc/53/92/45/1027539245.db2.gz JBVFVPXVWBINAQ-SECBINFHSA-N 0 3 315.785 3.778 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H]1CCO[C@@H](C)C1 ZINC000778177829 1027753607 /nfs/dbraw/zinc/75/36/07/1027753607.db2.gz XQZSDRJBJRWFKI-LSDHHAIUSA-N 0 3 321.848 3.647 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCC[C@H]1CCO[C@@H](C)C1 ZINC000778177826 1027755588 /nfs/dbraw/zinc/75/55/88/1027755588.db2.gz XQZSDRJBJRWFKI-GJZGRUSLSA-N 0 3 321.848 3.647 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNC[C@H](C)c1ccncc1 ZINC000778176365 1027772902 /nfs/dbraw/zinc/77/29/02/1027772902.db2.gz IPMMHYZWHXBLGH-AWEZNQCLSA-N 0 3 314.816 3.640 20 30 DHEDHN C[C@@H](c1ccc2c(c1)CCC2)N1CCC2(CC1)CC(=O)C=CO2 ZINC000933646029 1027783785 /nfs/dbraw/zinc/78/37/85/1027783785.db2.gz BOVLBYKSZDCSRP-HNNXBMFYSA-N 0 3 311.425 3.574 20 30 DHEDHN C#CCN(C(=O)C[C@@H](C)CCCCCC)C1CCN(C)CC1 ZINC001134262890 1028006104 /nfs/dbraw/zinc/00/61/04/1028006104.db2.gz VEZLLKMXVPJBLZ-KRWDZBQOSA-N 0 3 306.494 3.539 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CNC(C)(C)CSC ZINC000934675427 1028069911 /nfs/dbraw/zinc/06/99/11/1028069911.db2.gz HFXNQDQFFNFIFV-UHFFFAOYSA-N 0 3 324.515 3.634 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000578423402 1028148542 /nfs/dbraw/zinc/14/85/42/1028148542.db2.gz XZCOUCJTZLTGDX-QGZVFWFLSA-N 0 3 320.864 3.827 20 30 DHEDHN C=CCCC[C@H](C(=O)NC[C@H]1CCCCN1C)c1ccccc1 ZINC001134555743 1028160050 /nfs/dbraw/zinc/16/00/50/1028160050.db2.gz CPPGOZZRISWVPP-MOPGFXCFSA-N 0 3 314.473 3.727 20 30 DHEDHN C[C@H](NCC[C@@](C)(O)c1ccccc1)c1ccc(C#N)cc1F ZINC000779088419 1028225495 /nfs/dbraw/zinc/22/54/95/1028225495.db2.gz WAQOAWCCEBLOFC-IFXJQAMLSA-N 0 3 312.388 3.646 20 30 DHEDHN c1ccc(CCCNN=C2CC[C@H]3CNc4cccc2c43)cc1 ZINC000814837875 1028238806 /nfs/dbraw/zinc/23/88/06/1028238806.db2.gz OYDGSXOSLNOVQJ-INIZCTEOSA-N 0 3 305.425 3.916 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCCC1(COC)CCC1 ZINC000815148543 1028402719 /nfs/dbraw/zinc/40/27/19/1028402719.db2.gz ZBRVBWVDNKJPDT-UHFFFAOYSA-N 0 3 321.848 3.648 20 30 DHEDHN CCC[C@@H](C)CC[C@@H](C)N1CCC(C#N)(C(=O)OCC)CC1 ZINC001257486264 1028411155 /nfs/dbraw/zinc/41/11/55/1028411155.db2.gz UJVMYGCHSNTEBF-HZPDHXFCSA-N 0 3 308.466 3.760 20 30 DHEDHN C=C(C)CN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000779151446 1028449559 /nfs/dbraw/zinc/44/95/59/1028449559.db2.gz XYJQFVYGVUCIDG-UHFFFAOYSA-N 0 3 303.406 3.593 20 30 DHEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565046472 1028532524 /nfs/dbraw/zinc/53/25/24/1028532524.db2.gz LCONUJGXIOEFAK-HUUCEWRRSA-N 0 3 319.430 3.572 20 30 DHEDHN CCc1ccc(C#CC(=O)Nc2ccc(C)cc2CN(C)C)cc1 ZINC000815612119 1028569959 /nfs/dbraw/zinc/56/99/59/1028569959.db2.gz DIIJFEXJGZRJSK-UHFFFAOYSA-N 0 3 320.436 3.609 20 30 DHEDHN CCc1ccccc1CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000370296163 1028586031 /nfs/dbraw/zinc/58/60/31/1028586031.db2.gz YMSBYUCMGDOBHE-UHFFFAOYSA-N 0 3 319.452 3.744 20 30 DHEDHN CN(CCc1cccc2ccccc21)Cc1ccc(C#N)cn1 ZINC000566045980 1028669615 /nfs/dbraw/zinc/66/96/15/1028669615.db2.gz XMZKRSWSGHHXIA-UHFFFAOYSA-N 0 3 301.393 3.781 20 30 DHEDHN C=C(C)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449480338 1028679950 /nfs/dbraw/zinc/67/99/50/1028679950.db2.gz YATLMTIYIQSUOA-UHFFFAOYSA-N 0 3 303.387 3.774 20 30 DHEDHN N#CC(C(=O)CCc1cncs1)c1nccc2ccccc21 ZINC000816045771 1028694461 /nfs/dbraw/zinc/69/44/61/1028694461.db2.gz WPRIIUMOVWPJDP-OAHLLOKOSA-N 0 3 307.378 3.500 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@H](OC)[C@H](C)C2)ccc1OC ZINC000449495845 1028705865 /nfs/dbraw/zinc/70/58/65/1028705865.db2.gz IJNRHFVSILSJBS-WBVHZDCISA-N 0 3 319.445 3.507 20 30 DHEDHN N#Cc1ccc(-c2cnc(CN3CCC[C@H]4CCC[C@H]43)o2)cc1 ZINC000371786409 1028759638 /nfs/dbraw/zinc/75/96/38/1028759638.db2.gz IKZMCXAUJICPLY-NVXWUHKLSA-N 0 3 307.397 3.978 20 30 DHEDHN CC1(C)[C@H](c2cccc(F)c2)CCN1Cc1ccnc(C#N)c1 ZINC000528775882 1028803693 /nfs/dbraw/zinc/80/36/93/1028803693.db2.gz SUYRAGFYRBZEQI-SFHVURJKSA-N 0 3 309.388 3.860 20 30 DHEDHN C=CCN(CCc1csc(C)n1)Cc1ccc(OC)cc1 ZINC000119363583 1028853487 /nfs/dbraw/zinc/85/34/87/1028853487.db2.gz YMLVUGLWLBHKIT-UHFFFAOYSA-N 0 3 302.443 3.691 20 30 DHEDHN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000372751464 1028892061 /nfs/dbraw/zinc/89/20/61/1028892061.db2.gz LSWXBJATBOROMN-LJQANCHMSA-N 0 3 322.456 3.867 20 30 DHEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000528912113 1028917130 /nfs/dbraw/zinc/91/71/30/1028917130.db2.gz IISDIAUAWUYZCV-VNUHZKFNSA-N 0 3 314.410 3.532 20 30 DHEDHN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567739211 1028944747 /nfs/dbraw/zinc/94/47/47/1028944747.db2.gz FROXCIAALWZGIT-KSSFIOAISA-N 0 3 321.380 3.844 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3c3ccsc3)nc21 ZINC000528953533 1028963632 /nfs/dbraw/zinc/96/36/32/1028963632.db2.gz LFAFWWCFBSIAEZ-MJBXVCDLSA-N 0 3 321.405 3.913 20 30 DHEDHN Cc1cc([C@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)cs1 ZINC000373569941 1029084465 /nfs/dbraw/zinc/08/44/65/1029084465.db2.gz XDPBUXKRKXIVNT-HNNXBMFYSA-N 0 3 322.437 3.565 20 30 DHEDHN C=C(C)CN1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000373982408 1029180104 /nfs/dbraw/zinc/18/01/04/1029180104.db2.gz XOTUDWRJZCTDQL-MRXNPFEDSA-N 0 3 304.821 3.664 20 30 DHEDHN C#CCCCCN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000817579641 1029210752 /nfs/dbraw/zinc/21/07/52/1029210752.db2.gz CUISEHAMQRAARQ-GFCCVEGCSA-N 0 3 313.264 3.750 20 30 DHEDHN C=C(C)CCN[C@H](c1nc(Br)cs1)C1CC1 ZINC000817584852 1029215069 /nfs/dbraw/zinc/21/50/69/1029215069.db2.gz HUEZOZGOXOXKQL-NSHDSACASA-N 0 3 301.253 3.913 20 30 DHEDHN C#CC1CCN([C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170883208 1029299294 /nfs/dbraw/zinc/29/92/94/1029299294.db2.gz DVSHQGUTYWTYIW-KRWDZBQOSA-N 0 3 318.258 3.652 20 30 DHEDHN C=CCOc1ccccc1CNC[C@H](O)c1ccc(F)cc1C ZINC000819051028 1029458677 /nfs/dbraw/zinc/45/86/77/1029458677.db2.gz ZSQAMBPMQSBDIK-SFHVURJKSA-N 0 3 315.388 3.522 20 30 DHEDHN N#Cc1cc(Cl)ccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450862282 1029713160 /nfs/dbraw/zinc/71/31/60/1029713160.db2.gz OZDRFYYDHYGSTG-BBWFWOEESA-N 0 3 316.832 3.649 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCC[C@@H]2F)cc1OCCCC#N ZINC000865699106 1029982105 /nfs/dbraw/zinc/98/21/05/1029982105.db2.gz MDBAUQUKGHSYAJ-JKSUJKDBSA-N 0 3 320.408 3.748 20 30 DHEDHN C=CC(C)(C)CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001136599924 1030067384 /nfs/dbraw/zinc/06/73/84/1030067384.db2.gz XZFZEBGCPJIFRB-SFHVURJKSA-N 0 3 314.473 3.932 20 30 DHEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc2occc2c1 ZINC001275549432 1030095738 /nfs/dbraw/zinc/09/57/38/1030095738.db2.gz UILXPFBMIPMDCR-HXUWFJFHSA-N 0 3 324.424 3.576 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(OC2CCCC2)nc1 ZINC000924704220 1030165370 /nfs/dbraw/zinc/16/53/70/1030165370.db2.gz MLNLZFBUGGNGKF-AWEZNQCLSA-N 0 3 301.434 3.821 20 30 DHEDHN C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccccc1[O-] ZINC000866448689 1030300647 /nfs/dbraw/zinc/30/06/47/1030300647.db2.gz JRDCHVJEXLTVMQ-HNNXBMFYSA-N 0 3 321.424 3.583 20 30 DHEDHN Cc1cccc(C)c1OC[C@H](C)NCc1ccc(C#N)cc1F ZINC000533449110 1030355118 /nfs/dbraw/zinc/35/51/18/1030355118.db2.gz LXYDSTLFCOPLCS-HNNXBMFYSA-N 0 3 312.388 3.871 20 30 DHEDHN CC(C)[C@@H](CNCc1ccc(C#N)cc1F)Nc1ccccc1 ZINC000533446540 1030366420 /nfs/dbraw/zinc/36/64/20/1030366420.db2.gz NVAIZZRVPRAGFT-LJQANCHMSA-N 0 3 311.404 3.924 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000533505179 1030390916 /nfs/dbraw/zinc/39/09/16/1030390916.db2.gz BSVZPWGOYPFPLU-QFBILLFUSA-N 0 3 312.457 3.707 20 30 DHEDHN Cc1cccc(Oc2cccc(NC(=O)[C@@H](N)CCCC#N)c2)c1 ZINC000868036760 1030522084 /nfs/dbraw/zinc/52/20/84/1030522084.db2.gz INOOLRBYOWKYJK-SFHVURJKSA-N 0 3 323.396 3.747 20 30 DHEDHN COc1ccc(CN[C@H]2CCCc3c(F)cccc32)cc1C#N ZINC000824468425 1030566986 /nfs/dbraw/zinc/56/69/86/1030566986.db2.gz IMJXQDYUYGNQBG-SFHVURJKSA-N 0 3 310.372 3.873 20 30 DHEDHN C=CCOc1ccccc1CNC[C@@]1(C)CC1(Cl)Cl ZINC000824758114 1030638931 /nfs/dbraw/zinc/63/89/31/1030638931.db2.gz JVOOIJWGIFZKNH-CQSZACIVSA-N 0 3 300.229 3.925 20 30 DHEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCCC#N)c1ccccc1 ZINC000926132550 1030628444 /nfs/dbraw/zinc/62/84/44/1030628444.db2.gz MFXIRCXXSMPYMQ-GOEBONIOSA-N 0 3 317.433 3.534 20 30 DHEDHN C=CCC[C@@H](NCc1nc2c(s1)CCCC2)[C@@H]1CCCO1 ZINC000926921108 1030997655 /nfs/dbraw/zinc/99/76/55/1030997655.db2.gz YZISLWZWUWZFAI-HIFRSBDPSA-N 0 3 306.475 3.625 20 30 DHEDHN Cc1nn(C)c2sc([C@@H](C)NCc3ccc(C)c(C#N)c3)cc12 ZINC000926960651 1031017975 /nfs/dbraw/zinc/01/79/75/1031017975.db2.gz GAOKBMXJFNYOMK-CYBMUJFWSA-N 0 3 324.453 3.974 20 30 DHEDHN Cc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1C#N ZINC000926961896 1031018147 /nfs/dbraw/zinc/01/81/47/1031018147.db2.gz KHRJGPZJIRHYAZ-IBGZPJMESA-N 0 3 321.380 3.942 20 30 DHEDHN Cn1nc(C2CC2)cc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000927103189 1031091597 /nfs/dbraw/zinc/09/15/97/1031091597.db2.gz YYTKAWIUAZSKOL-LJQANCHMSA-N 0 3 320.440 3.726 20 30 DHEDHN C=CCC[C@@H](NCc1cc(C2CC2)n(C)n1)[C@]1(C)CCCCO1 ZINC000927107986 1031094451 /nfs/dbraw/zinc/09/44/51/1031094451.db2.gz JYOVPTZFPGQERR-MOPGFXCFSA-N 0 3 317.477 3.681 20 30 DHEDHN C=CCOCCN(Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000559131050 1031129059 /nfs/dbraw/zinc/12/90/59/1031129059.db2.gz XEHQBMGFLGNURM-UHFFFAOYSA-N 0 3 311.425 3.900 20 30 DHEDHN C=CCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CCC1 ZINC000359849353 1031163939 /nfs/dbraw/zinc/16/39/39/1031163939.db2.gz YZSVLCMIHMLLFV-FUHWJXTLSA-N 0 3 312.457 3.512 20 30 DHEDHN C=CCN(CC[C@@H]1CCCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000347398161 1031219027 /nfs/dbraw/zinc/21/90/27/1031219027.db2.gz HEXBCALWRAYQEN-KRWDZBQOSA-N 0 3 304.390 3.542 20 30 DHEDHN C=CCOCCN[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000272379765 1031269602 /nfs/dbraw/zinc/26/96/02/1031269602.db2.gz BGZGCVQKXPQJPC-INIZCTEOSA-N 0 3 324.424 3.792 20 30 DHEDHN COc1ccc(CNCc2ccc(C(C)(F)F)cc2)cc1C#N ZINC000292986312 1031279346 /nfs/dbraw/zinc/27/93/46/1031279346.db2.gz NNYOEEXWZZOERF-UHFFFAOYSA-N 0 3 316.351 3.968 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](CO)c1ccccc1 ZINC000360645278 1031501203 /nfs/dbraw/zinc/50/12/03/1031501203.db2.gz CTNMSZBZKBFAQT-UXHICEINSA-N 0 3 306.409 3.649 20 30 DHEDHN C=C[C@@H](CC)CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000929472318 1031526371 /nfs/dbraw/zinc/52/63/71/1031526371.db2.gz DAQXKCDLYRGMNK-LSDHHAIUSA-N 0 3 306.475 3.604 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1nc2ccccc2s1 ZINC001171174838 1031539911 /nfs/dbraw/zinc/53/99/11/1031539911.db2.gz DNUYEYQJFDVKSM-ZDUSSCGKSA-N 0 3 307.422 3.889 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)n1nc(-c2ccccc2)cc1CN ZINC001171182233 1031580821 /nfs/dbraw/zinc/58/08/21/1031580821.db2.gz TZKBHARPMDWAFI-OAHLLOKOSA-N 0 3 316.408 3.684 20 30 DHEDHN N#CC(C(=O)[C@H]1CCc2ccccc2C1)c1nc2ccccc2[nH]1 ZINC000845436911 1031583047 /nfs/dbraw/zinc/58/30/47/1031583047.db2.gz ODUBCPYIZZDVID-JKSUJKDBSA-N 0 3 315.376 3.544 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845436845 1031584348 /nfs/dbraw/zinc/58/43/48/1031584348.db2.gz MMLPEQOFJUWSLZ-RBSFLKMASA-N 0 3 307.397 3.576 20 30 DHEDHN COc1ccc(F)c(CN[C@@H](C)Cc2cccc(C#N)c2)c1F ZINC001171185904 1031611943 /nfs/dbraw/zinc/61/19/43/1031611943.db2.gz SRGZOMFQUOAZNY-LBPRGKRZSA-N 0 3 316.351 3.566 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000930027542 1031679454 /nfs/dbraw/zinc/67/94/54/1031679454.db2.gz NHNUQGHMQPZPTB-UHFFFAOYSA-N 0 3 316.408 3.651 20 30 DHEDHN CCCc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)s1 ZINC000897599246 1031689759 /nfs/dbraw/zinc/68/97/59/1031689759.db2.gz GZALWAKHNTYMJC-UHFFFAOYSA-N 0 3 305.443 3.538 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](CCCO)c2ccccc2)cc1 ZINC000124393923 1031707011 /nfs/dbraw/zinc/70/70/11/1031707011.db2.gz MQSZUBMVBZJDBK-UZLBHIALSA-N 0 3 324.424 3.581 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@H](CCCO)c2ccccc2)cc1 ZINC000124394128 1031707831 /nfs/dbraw/zinc/70/78/31/1031707831.db2.gz MQSZUBMVBZJDBK-OXJNMPFZSA-N 0 3 324.424 3.581 20 30 DHEDHN C#Cc1ccc(CN(Cc2cccc(OC)c2)[C@H](C)COC)cc1 ZINC001144576911 1031723781 /nfs/dbraw/zinc/72/37/81/1031723781.db2.gz VKAXZWITACTDEB-QGZVFWFLSA-N 0 3 323.436 3.714 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873984 1031747647 /nfs/dbraw/zinc/74/76/47/1031747647.db2.gz FSFSYVIVKMXNPU-HUBLWGQQSA-N 0 3 309.337 3.678 20 30 DHEDHN C=C(C)COc1cc(CNC2(C)CC(F)(F)C2)ccc1OC ZINC000873197856 1031755102 /nfs/dbraw/zinc/75/51/02/1031755102.db2.gz GOMQDHTZFAVUSH-UHFFFAOYSA-N 0 3 311.372 3.928 20 30 DHEDHN COc1ccc(CNC2(C)CC(F)(F)C2)cc1OCCCC#N ZINC000873197874 1031755928 /nfs/dbraw/zinc/75/59/28/1031755928.db2.gz HICMIWQWPPGBFY-UHFFFAOYSA-N 0 3 324.371 3.655 20 30 DHEDHN C#CCCOc1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846107927 1031855025 /nfs/dbraw/zinc/85/50/25/1031855025.db2.gz MDXQYLLINOQDNF-KRWDZBQOSA-N 0 3 305.368 3.710 20 30 DHEDHN N#CC1(CCCCN2CC[C@H](n3cc(Cl)cn3)C2)CCC1 ZINC000930525944 1031857110 /nfs/dbraw/zinc/85/71/10/1031857110.db2.gz CYBAIRGTESFYCC-HNNXBMFYSA-N 0 3 306.841 3.647 20 30 DHEDHN C#CCCOc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846107931 1031857972 /nfs/dbraw/zinc/85/79/72/1031857972.db2.gz MDXQYLLINOQDNF-QGZVFWFLSA-N 0 3 305.368 3.710 20 30 DHEDHN N#Cc1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000930610307 1031888092 /nfs/dbraw/zinc/88/80/92/1031888092.db2.gz CNGVKNDFRXFUFF-KZNAEPCWSA-N 0 3 318.848 3.727 20 30 DHEDHN C[C@@H](CCCC(F)(F)F)NCc1cc(C#N)cnc1Cl ZINC000877476086 1033313429 /nfs/dbraw/zinc/31/34/29/1033313429.db2.gz UIFCPQBSPIXBJV-VIFPVBQESA-N 0 3 305.731 3.817 20 30 DHEDHN C=C[C@@H](N[C@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccccc1 ZINC001172667248 1033317331 /nfs/dbraw/zinc/31/73/31/1033317331.db2.gz DMYWJTSZBYNXSA-VQTJNVASSA-N 0 3 320.436 3.695 20 30 DHEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000128173289 1033481793 /nfs/dbraw/zinc/48/17/93/1033481793.db2.gz RGYNXUONBIDPSS-GOSISDBHSA-N 0 3 320.392 3.665 20 30 DHEDHN C=C[C@](C)(O)CN1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001252556793 1033553950 /nfs/dbraw/zinc/55/39/50/1033553950.db2.gz FCFNAFXGHCMONS-NHYWBVRUSA-N 0 3 300.229 3.720 20 30 DHEDHN C=CCOC1CCC(N2CCCC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC001173328039 1033688156 /nfs/dbraw/zinc/68/81/56/1033688156.db2.gz YDVWCZSIOZUSTA-OFLPRAFFSA-N 0 3 323.477 3.696 20 30 DHEDHN C=CCOC1CCC(N2CCCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001173328031 1033689422 /nfs/dbraw/zinc/68/94/22/1033689422.db2.gz YDVWCZSIOZUSTA-JCYILVPMSA-N 0 3 323.477 3.696 20 30 DHEDHN CCOc1cccc([C@H](C)NCc2ccc(OC)c(C#N)c2)c1 ZINC000174322825 1033920877 /nfs/dbraw/zinc/92/08/77/1033920877.db2.gz ODHMMPZWCZTYBO-AWEZNQCLSA-N 0 3 310.397 3.816 20 30 DHEDHN CN(C)Cc1ccccc1Nc1ccc(N2CCCC2)c(C#N)c1 ZINC001173932071 1033996000 /nfs/dbraw/zinc/99/60/00/1033996000.db2.gz NOYNFRNLTWTJOG-UHFFFAOYSA-N 0 3 320.440 3.964 20 30 DHEDHN CC(C)(NCc1cc(Cl)ccc1OCC#N)[C@@H]1CCCCO1 ZINC000879409479 1034011283 /nfs/dbraw/zinc/01/12/83/1034011283.db2.gz DTERJELZWIIUMZ-INIZCTEOSA-N 0 3 322.836 3.680 20 30 DHEDHN C=C(CC)CN1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879615423 1034059766 /nfs/dbraw/zinc/05/97/66/1034059766.db2.gz MSMBZJKXLZFMHE-UHFFFAOYSA-N 0 3 322.518 3.776 20 30 DHEDHN N#Cc1cccc(CN2Cc3ccccc3N3CCC[C@@H]3C2)c1 ZINC000880550100 1034356530 /nfs/dbraw/zinc/35/65/30/1034356530.db2.gz LORUYNNJYKWEBM-LJQANCHMSA-N 0 3 303.409 3.543 20 30 DHEDHN CC(C)[C@@H]1CCN(Cc2ccc(C#N)cc2Br)C1 ZINC000481075795 1034575078 /nfs/dbraw/zinc/57/50/78/1034575078.db2.gz OGMUBHLDGPDQGB-CYBMUJFWSA-N 0 3 307.235 3.799 20 30 DHEDHN C[C@@H](C1CCC1)N(C)Cc1ccc(C#N)cc1Br ZINC000481259434 1034691676 /nfs/dbraw/zinc/69/16/76/1034691676.db2.gz QIWXEZNWGVZPNP-NSHDSACASA-N 0 3 307.235 3.941 20 30 DHEDHN COc1ccc([C@@H]2CCN(Cc3cc(C#N)cs3)C2)cc1F ZINC000600213134 1034806338 /nfs/dbraw/zinc/80/63/38/1034806338.db2.gz BWZLJLQXGMYMCP-CQSZACIVSA-N 0 3 316.401 3.757 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000481693320 1034932287 /nfs/dbraw/zinc/93/22/87/1034932287.db2.gz QSZDRHRJBUIYFG-JKSUJKDBSA-N 0 3 321.509 3.541 20 30 DHEDHN N#CCC[C@H](C#N)CNCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000600613776 1035010005 /nfs/dbraw/zinc/01/00/05/1035010005.db2.gz CIETVXMFDKVOGJ-LLVKDONJSA-N 0 3 318.783 3.536 20 30 DHEDHN COc1ccc(CN2CC[C@H](c3cccc(F)c3)C2)cc1C#N ZINC000556025825 1035015554 /nfs/dbraw/zinc/01/55/54/1035015554.db2.gz VKKWZBFJFYWGLN-INIZCTEOSA-N 0 3 310.372 3.695 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2occc2C)cc1 ZINC000128629234 1035051362 /nfs/dbraw/zinc/05/13/62/1035051362.db2.gz HBCRKDVDMXZJNC-INIZCTEOSA-N 0 3 324.380 3.892 20 30 DHEDHN Cc1csc(C(C#N)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000160124888 1035138402 /nfs/dbraw/zinc/13/84/02/1035138402.db2.gz LHXQCYAKJCKWHJ-LLVKDONJSA-N 0 3 305.790 3.659 20 30 DHEDHN C=C(C)COCCN[C@H](C)c1cc(Br)ccc1F ZINC000163515389 1035325581 /nfs/dbraw/zinc/32/55/81/1035325581.db2.gz BSVGSUKBAYCVPN-LLVKDONJSA-N 0 3 316.214 3.832 20 30 DHEDHN CCOc1ccc(CCN(C)CC#Cc2ccc(F)cc2)cc1 ZINC001176832959 1035332839 /nfs/dbraw/zinc/33/28/39/1035332839.db2.gz NSPZMAPADFEKFC-UHFFFAOYSA-N 0 3 311.400 3.750 20 30 DHEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC001176798548 1035333567 /nfs/dbraw/zinc/33/35/67/1035333567.db2.gz SIRSPDFTCOZAGY-OAHLLOKOSA-N 0 3 304.434 3.700 20 30 DHEDHN CC(C)(C)Cc1cc(NC(=O)C(C#N)Cc2cccs2)on1 ZINC001177905310 1035397815 /nfs/dbraw/zinc/39/78/15/1035397815.db2.gz XVXHBCNBCPQSPJ-NSHDSACASA-N 0 3 317.414 3.646 20 30 DHEDHN C[C@H](NCc1ccc(N2CCCC2=O)cc1)c1cccc(C#N)c1 ZINC000192941866 1035404280 /nfs/dbraw/zinc/40/42/80/1035404280.db2.gz QDTACQDCBFTDHL-HNNXBMFYSA-N 0 3 319.408 3.536 20 30 DHEDHN CS[C@H](C)CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000773764313 1035442891 /nfs/dbraw/zinc/44/28/91/1035442891.db2.gz PFSSPVOJJCZPAK-ZWNOBZJWSA-N 0 3 324.833 3.519 20 30 DHEDHN C=CCNCc1cc(-c2ccc([C@H]3CCC(=O)N3)cc2)ccc1F ZINC000904834244 1035461527 /nfs/dbraw/zinc/46/15/27/1035461527.db2.gz XCYPRWIRKKJTRO-LJQANCHMSA-N 0 3 324.399 3.719 20 30 DHEDHN CCOCc1ccccc1CNC1CC(C#N)(c2ccccc2)C1 ZINC000158473309 1035521207 /nfs/dbraw/zinc/52/12/07/1035521207.db2.gz OWZQVQCUIUFJSL-UHFFFAOYSA-N 0 3 320.436 3.937 20 30 DHEDHN C=CCN(Cc1c[nH]c(C(=O)OCc2ccccc2)c1)C(C)C ZINC001179997066 1035556428 /nfs/dbraw/zinc/55/64/28/1035556428.db2.gz BTTHPOSNQYFOJK-UHFFFAOYSA-N 0 3 312.413 3.768 20 30 DHEDHN C#C[C@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000775575521 1035563699 /nfs/dbraw/zinc/56/36/99/1035563699.db2.gz YGTLMNFMCBIOSP-LSTHTHJFSA-N 0 3 312.457 3.508 20 30 DHEDHN C=CC[C@H]1CCCN(Cc2cc(OC)c(OC)cc2OC)C1 ZINC000668493673 1035669609 /nfs/dbraw/zinc/66/96/09/1035669609.db2.gz QGTWYMCLBMPBGR-AWEZNQCLSA-N 0 3 305.418 3.501 20 30 DHEDHN COC(=O)CC[C@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000925377079 1035694334 /nfs/dbraw/zinc/69/43/34/1035694334.db2.gz CUQPXTAOFBFOMR-ZBFHGGJFSA-N 0 3 302.418 3.599 20 30 DHEDHN CC(C)(C)[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001193807288 1035739246 /nfs/dbraw/zinc/73/92/46/1035739246.db2.gz KFZGCCIJIYSNBK-HNNXBMFYSA-N 0 3 301.390 3.725 20 30 DHEDHN CC(C)c1ccc(OCCNCc2ccc(C#N)s2)cc1 ZINC000539458053 1035739716 /nfs/dbraw/zinc/73/97/16/1035739716.db2.gz DMXCKRGBHBYTOI-UHFFFAOYSA-N 0 3 300.427 3.912 20 30 DHEDHN CC1(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCC1 ZINC001193987278 1035789922 /nfs/dbraw/zinc/78/99/22/1035789922.db2.gz BWVJYCKOWOUGPA-QGZVFWFLSA-N 0 3 317.864 3.712 20 30 DHEDHN CC(C)(C)O[C@@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1(C)C ZINC001195055424 1036116283 /nfs/dbraw/zinc/11/62/83/1036116283.db2.gz OFUHJVQHDQXPNW-DLBZAZTESA-N 0 3 303.421 3.749 20 30 DHEDHN CC(C)(C#N)c1ccc(CN[C@H](CCO)c2cccs2)cc1 ZINC000775667444 1036290808 /nfs/dbraw/zinc/29/08/08/1036290808.db2.gz RJBXCGPONTZFKR-MRXNPFEDSA-N 0 3 314.454 3.763 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1cnc(-c2ccccc2)[nH]1 ZINC000495201594 1036341916 /nfs/dbraw/zinc/34/19/16/1036341916.db2.gz NRYMISBVNJRRQZ-UHFFFAOYSA-N 0 3 307.397 3.900 20 30 DHEDHN Cc1cc(CN(C)C[C@H]2OCCc3ccccc32)ccc1C#N ZINC000487864260 1036359902 /nfs/dbraw/zinc/35/99/02/1036359902.db2.gz BCPKSBKLJKMODK-HXUWFJFHSA-N 0 3 306.409 3.613 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2nccnc2c1 ZINC001182500560 1036365271 /nfs/dbraw/zinc/36/52/71/1036365271.db2.gz VXYSBCYXIYUOOA-AWEZNQCLSA-N 0 3 302.381 3.694 20 30 DHEDHN COC(=O)CN(CCCCC1(C#N)CCC1)C1CCCCC1 ZINC001195963017 1036394607 /nfs/dbraw/zinc/39/46/07/1036394607.db2.gz GUHCSEVBPFCKHG-UHFFFAOYSA-N 0 3 306.450 3.658 20 30 DHEDHN C=C(C)CNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000153381524 1036395184 /nfs/dbraw/zinc/39/51/84/1036395184.db2.gz BEBAUIMQSDJDRL-UHFFFAOYSA-N 0 3 302.418 3.650 20 30 DHEDHN C=CC[C@@H]1CCCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001195946703 1036401728 /nfs/dbraw/zinc/40/17/28/1036401728.db2.gz MMYDVVUCGYLTLY-RHSMWYFYSA-N 0 3 318.848 3.733 20 30 DHEDHN C#C[C@@H](NC(=N)Nc1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000491452278 1036578312 /nfs/dbraw/zinc/57/83/12/1036578312.db2.gz KFZXDVAUSPBZFE-CQSZACIVSA-N 0 3 319.742 3.929 20 30 DHEDHN Cc1ccc(CN2CCC(Cc3nccs3)CC2)cc1C#N ZINC001196727643 1036597544 /nfs/dbraw/zinc/59/75/44/1036597544.db2.gz IOBIBZLLPOYBMN-UHFFFAOYSA-N 0 3 311.454 3.778 20 30 DHEDHN CCCCCCCC[C@@H]1C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C ZINC001273737094 1036688067 /nfs/dbraw/zinc/68/80/67/1036688067.db2.gz AXJCADHCNZJCKB-BDXSIMOUSA-N 0 3 306.494 3.678 20 30 DHEDHN C=CCn1cccc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000488211634 1036907955 /nfs/dbraw/zinc/90/79/55/1036907955.db2.gz AVVMCAMMRVQZDB-GFCCVEGCSA-N 0 3 307.378 3.774 20 30 DHEDHN C=CCCn1cc(CN2CC[C@H](c3ccccc3)C2(C)C)nn1 ZINC000653769118 1036908209 /nfs/dbraw/zinc/90/82/09/1036908209.db2.gz WTGIMMMQITUQLB-GOSISDBHSA-N 0 3 310.445 3.622 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(CC(C)C)C2CCCC2)CC1 ZINC000524669209 1036908756 /nfs/dbraw/zinc/90/87/56/1036908756.db2.gz UVMWIKPTCKOUFF-UHFFFAOYSA-N 0 3 321.509 3.637 20 30 DHEDHN Cc1cc(CNCc2cc(Br)cs2)ccc1C#N ZINC000443975023 1036960166 /nfs/dbraw/zinc/96/01/66/1036960166.db2.gz XULWRSDHNHNCPT-UHFFFAOYSA-N 0 3 321.243 3.981 20 30 DHEDHN C=CCC[C@H]1CCCN1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC001198414415 1037015216 /nfs/dbraw/zinc/01/52/16/1037015216.db2.gz RBDNSQBCQQIYRV-AZUAARDMSA-N 0 3 312.457 3.685 20 30 DHEDHN Clc1ccccc1C#CCN1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001198563133 1037060598 /nfs/dbraw/zinc/06/05/98/1037060598.db2.gz IIFQLHCYXDNVKL-MSOLQXFVSA-N 0 3 317.860 3.830 20 30 DHEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000912249224 1037330852 /nfs/dbraw/zinc/33/08/52/1037330852.db2.gz JIBMNNOURFCRAT-LBPRGKRZSA-N 0 3 300.324 3.636 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC[C@H](Nc2ccccc2)C1 ZINC000490029218 1037582399 /nfs/dbraw/zinc/58/23/99/1037582399.db2.gz XISBXWGUOIAMSH-IBGZPJMESA-N 0 3 321.424 3.514 20 30 DHEDHN C[C@@H](N[C@H](c1cccnc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000776169118 1037671844 /nfs/dbraw/zinc/67/18/44/1037671844.db2.gz DSTZEQZFQCMHCY-KUHUBIRLSA-N 0 3 307.397 3.786 20 30 DHEDHN C#CCCOc1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000775136827 1037688371 /nfs/dbraw/zinc/68/83/71/1037688371.db2.gz MFNFCUSUGLWAGB-OAHLLOKOSA-N 0 3 311.347 3.863 20 30 DHEDHN Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc(C#N)cc1F ZINC001201569957 1037784563 /nfs/dbraw/zinc/78/45/63/1037784563.db2.gz YWIHDGRJCGWMIC-UHFFFAOYSA-N 0 3 324.403 3.501 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000185649562 1037826086 /nfs/dbraw/zinc/82/60/86/1037826086.db2.gz FOWVKFIJUUMWFN-ROUUACIJSA-N 0 3 314.473 3.712 20 30 DHEDHN CCCCCCCCN1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001201814686 1037901911 /nfs/dbraw/zinc/90/19/11/1037901911.db2.gz RSEPTARUCICSOF-QGZVFWFLSA-N 0 3 307.482 3.716 20 30 DHEDHN CCCCCCCN1CCn2c(CN(C)C(C)C)cnc2C1 ZINC001201776614 1037904636 /nfs/dbraw/zinc/90/46/36/1037904636.db2.gz HBURIIVROXHTOE-UHFFFAOYSA-N 0 3 306.498 3.509 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C#N)cc1 ZINC000586789166 1037970998 /nfs/dbraw/zinc/97/09/98/1037970998.db2.gz WJTJQLOUTIERHW-RYUDHWBXSA-N 0 3 307.353 3.817 20 30 DHEDHN C=CCOc1cccc(CN(C)Cc2ccc(O)c(OC)c2)c1 ZINC000125960879 1037994678 /nfs/dbraw/zinc/99/46/78/1037994678.db2.gz MTPUOAMLUCRKBF-UHFFFAOYSA-N 0 3 313.397 3.598 20 30 DHEDHN O=C(Nc1cccc2ccccc21)N1CCC2SC(=O)C=C2C1 ZINC001188919077 1038005050 /nfs/dbraw/zinc/00/50/50/1038005050.db2.gz ZNSDOMFOBKMSEZ-MRXNPFEDSA-N 0 3 324.405 3.646 20 30 DHEDHN CCCN(CC(=O)c1cn(CCC#N)c2ccccc12)C(C)C ZINC000570939755 1038044232 /nfs/dbraw/zinc/04/42/32/1038044232.db2.gz MAIYHPVQGPFZKR-UHFFFAOYSA-N 0 3 311.429 3.858 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cc(C)cc(OC)c1O ZINC000164221162 1038102503 /nfs/dbraw/zinc/10/25/03/1038102503.db2.gz PCRFZIJHYQNNEH-UHFFFAOYSA-N 0 3 322.408 3.769 20 30 DHEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)C)c(Cl)c2)CC1 ZINC000189254726 1038121052 /nfs/dbraw/zinc/12/10/52/1038121052.db2.gz WTQGJABHZRGYRP-UHFFFAOYSA-N 0 3 320.864 3.844 20 30 DHEDHN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)Cc2ccccc21 ZINC000917039367 1038123033 /nfs/dbraw/zinc/12/30/33/1038123033.db2.gz AQQCYOYVMFELGZ-MRXNPFEDSA-N 0 3 306.409 3.946 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1ncc(-c2ccccc2C)o1 ZINC000571501527 1038150221 /nfs/dbraw/zinc/15/02/21/1038150221.db2.gz CZFAJVNWZDPRBR-UHFFFAOYSA-N 0 3 313.445 3.590 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OCCC)nc2)cc1 ZINC000156670249 1038177921 /nfs/dbraw/zinc/17/79/21/1038177921.db2.gz BTKBVGJAPAUWCU-MRXNPFEDSA-N 0 3 324.424 3.733 20 30 DHEDHN CN(C)C[C@@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1 ZINC000588731072 1038334637 /nfs/dbraw/zinc/33/46/37/1038334637.db2.gz VXRKBZHVADJYQO-MRXNPFEDSA-N 0 3 321.852 3.533 20 30 DHEDHN N#CCOc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000775407603 1038375687 /nfs/dbraw/zinc/37/56/87/1038375687.db2.gz OTTFSJGUXTZCGE-HXUWFJFHSA-N 0 3 317.392 3.628 20 30 DHEDHN Cc1cc(CNCc2ccc(C#N)c(Cl)c2)cc(C)c1O ZINC000589178236 1038439608 /nfs/dbraw/zinc/43/96/08/1038439608.db2.gz PYWAZFLVEDCXHW-UHFFFAOYSA-N 0 3 300.789 3.824 20 30 DHEDHN CCCCCCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001191112655 1038441789 /nfs/dbraw/zinc/44/17/89/1038441789.db2.gz GAHRDUWNTAPNPQ-KRWDZBQOSA-N 0 3 305.466 3.559 20 30 DHEDHN CCCCCCCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC001191112743 1038441897 /nfs/dbraw/zinc/44/18/97/1038441897.db2.gz JLJNRFKMBHWJOI-KRWDZBQOSA-N 0 3 305.466 3.559 20 30 DHEDHN CCC#C[C@@H](C)N(CC)CCOc1ccc(Br)cc1 ZINC001191269620 1038476300 /nfs/dbraw/zinc/47/63/00/1038476300.db2.gz VOHZFWLROMUSOZ-CQSZACIVSA-N 0 3 324.262 3.952 20 30 DHEDHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C[C@@H](O)c1cccc(C#N)c1 ZINC001192302871 1038633601 /nfs/dbraw/zinc/63/36/01/1038633601.db2.gz NFMCGIUZPTVWEK-ARGWCVDVSA-N 0 3 324.399 3.739 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)OCCCCO2)c1cccc(C#N)c1 ZINC000590646865 1038684353 /nfs/dbraw/zinc/68/43/53/1038684353.db2.gz NZIOQBWVTRXQGP-OAHLLOKOSA-N 0 3 322.408 3.960 20 30 DHEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCc3c2cccc3O)cc1 ZINC000590746867 1038698012 /nfs/dbraw/zinc/69/80/12/1038698012.db2.gz YXMOYLAHPGEXNG-SFHVURJKSA-N 0 3 306.409 3.970 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1F ZINC000170684944 1038870926 /nfs/dbraw/zinc/87/09/26/1038870926.db2.gz BKERJACCCDWICN-ZDUSSCGKSA-N 0 3 314.360 3.587 20 30 DHEDHN Cc1cccc2c1C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)CO2 ZINC000599064183 1039019633 /nfs/dbraw/zinc/01/96/33/1039019633.db2.gz KSCROFIACGAQLZ-UKRRQHHQSA-N 0 3 310.372 3.660 20 30 DHEDHN N#Cc1cnccc1CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000592123664 1039123281 /nfs/dbraw/zinc/12/32/81/1039123281.db2.gz XUTBDLZSLYVXCM-VAMGGRTRSA-N 0 3 303.409 3.721 20 30 DHEDHN Cc1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1C#N ZINC000599387495 1039148195 /nfs/dbraw/zinc/14/81/95/1039148195.db2.gz NPOIATHJHSPCKP-LJQANCHMSA-N 0 3 308.425 3.716 20 30 DHEDHN Cc1ccccc1CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000171482419 1039490075 /nfs/dbraw/zinc/49/00/75/1039490075.db2.gz KRCINOBWQXOWKQ-HNNXBMFYSA-N 0 3 304.349 3.945 20 30 DHEDHN C=CCCCN(C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000605846358 1039751898 /nfs/dbraw/zinc/75/18/98/1039751898.db2.gz RLDMHFLHZWKMHO-MRXNPFEDSA-N 0 3 323.506 3.739 20 30 DHEDHN CC(C)[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1Cl ZINC000594442977 1039782505 /nfs/dbraw/zinc/78/25/05/1039782505.db2.gz DUWHDGIJIBLTNL-HZPDHXFCSA-N 0 3 321.852 3.565 20 30 DHEDHN CCCCN(C(=O)[C@H](N)CCCCC#N)[C@@H](C)c1ccccc1 ZINC000594447039 1039784294 /nfs/dbraw/zinc/78/42/94/1039784294.db2.gz SBKQRHTYKGUUBW-FUHWJXTLSA-N 0 3 315.461 3.788 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1Nc1ccccc1 ZINC000594435709 1039785966 /nfs/dbraw/zinc/78/59/66/1039785966.db2.gz IPPDRNPZNDKAAX-INIZCTEOSA-N 0 3 322.412 3.780 20 30 DHEDHN CC(C)(C)C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594427332 1039794421 /nfs/dbraw/zinc/79/44/21/1039794421.db2.gz IKGJQDDJNFDJFQ-IRXDYDNUSA-N 0 3 315.461 3.691 20 30 DHEDHN Cc1cccn2c(CNC3(c4ccc(C#N)cc4)CCC3)cnc12 ZINC000594519466 1039824957 /nfs/dbraw/zinc/82/49/57/1039824957.db2.gz KXUUHPVVLAEMIP-UHFFFAOYSA-N 0 3 316.408 3.683 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)nc1 ZINC000593962863 1039842170 /nfs/dbraw/zinc/84/21/70/1039842170.db2.gz CCVDDAOUNGZNFQ-QGZVFWFLSA-N 0 3 316.408 3.814 20 30 DHEDHN COC(=O)c1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594607504 1039867039 /nfs/dbraw/zinc/86/70/39/1039867039.db2.gz WKURETFGNQBEMI-UHFFFAOYSA-N 0 3 322.408 3.564 20 30 DHEDHN COC[C@@H](C)Oc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000594914446 1039923953 /nfs/dbraw/zinc/92/39/53/1039923953.db2.gz IMYVBFUBYABPCG-HZPDHXFCSA-N 0 3 324.424 3.823 20 30 DHEDHN CCCCSCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000172545738 1039930100 /nfs/dbraw/zinc/93/01/00/1039930100.db2.gz QCSMYFIVRSAJFY-GFCCVEGCSA-N 0 3 302.399 3.927 20 30 DHEDHN COCCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594968655 1039946573 /nfs/dbraw/zinc/94/65/73/1039946573.db2.gz MCHNVSKEDHZHMY-UHFFFAOYSA-N 0 3 324.424 3.608 20 30 DHEDHN N#CCC1(CNCc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000594935049 1039950911 /nfs/dbraw/zinc/95/09/11/1039950911.db2.gz BHULWPIALJEFJU-UHFFFAOYSA-N 0 3 311.360 3.796 20 30 DHEDHN N#CC1(c2ccc(CN[C@H](c3cccnc3)C3CC3)cc2)CC1 ZINC000594934251 1039952717 /nfs/dbraw/zinc/95/27/17/1039952717.db2.gz CPQRMEQANCXOCO-IBGZPJMESA-N 0 3 303.409 3.878 20 30 DHEDHN CC(C)CCn1cccc1CNCc1ccc(OCC#N)cc1 ZINC000172629731 1039966393 /nfs/dbraw/zinc/96/63/93/1039966393.db2.gz LQVOYPXRBYFNDO-UHFFFAOYSA-N 0 3 311.429 3.726 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NC[C@H](OC2CCCC2)C(F)(F)F)C1 ZINC000595071176 1040034038 /nfs/dbraw/zinc/03/40/38/1040034038.db2.gz AIPKSYVHWZQZHE-DYEKYZERSA-N 0 3 304.356 3.548 20 30 DHEDHN Cc1cc(C)n(-c2ccc(CN3CCC[C@@H](CC#N)C3)cc2)n1 ZINC000595619980 1040193511 /nfs/dbraw/zinc/19/35/11/1040193511.db2.gz IKZSAGPRGMXIFZ-KRWDZBQOSA-N 0 3 308.429 3.615 20 30 DHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1csc(C(=O)OCC)n1 ZINC000595605096 1040204675 /nfs/dbraw/zinc/20/46/75/1040204675.db2.gz VHPBWJBCQWQHOJ-JSGCOSHPSA-N 0 3 308.447 3.544 20 30 DHEDHN C=CC[C@H]1CCCC[C@H]1NCc1csc(C(=O)OCC)n1 ZINC000595605095 1040205119 /nfs/dbraw/zinc/20/51/19/1040205119.db2.gz VHPBWJBCQWQHOJ-GXTWGEPZSA-N 0 3 308.447 3.544 20 30 DHEDHN N#Cc1ccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)c(Cl)c1 ZINC000595911291 1040274202 /nfs/dbraw/zinc/27/42/02/1040274202.db2.gz UHZQERIPZHCENJ-HDICACEKSA-N 0 3 316.832 3.604 20 30 DHEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CCc2ccccc21 ZINC000595877728 1040280191 /nfs/dbraw/zinc/28/01/91/1040280191.db2.gz JROIJSGYWSYYFJ-MRXNPFEDSA-N 0 3 321.380 3.628 20 30 DHEDHN C[C@H]1CCC[C@H](C)N(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075767286 1040538421 /nfs/dbraw/zinc/53/84/21/1040538421.db2.gz XALJPBBYEXPPKW-KBPBESRZSA-N 0 3 310.401 3.619 20 30 DHEDHN COc1ccc(CNCc2ccc(OCC(C)C)cc2)cc1C#N ZINC000174284505 1040609366 /nfs/dbraw/zinc/60/93/66/1040609366.db2.gz INYCBFZIANRSQE-UHFFFAOYSA-N 0 3 324.424 3.891 20 30 DHEDHN C#CCCCN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000174274302 1040612132 /nfs/dbraw/zinc/61/21/32/1040612132.db2.gz ZOHMQSVOGKEVTC-SFHVURJKSA-N 0 3 310.372 3.509 20 30 DHEDHN N#CC1(c2ccc(CN3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000597133466 1040659149 /nfs/dbraw/zinc/65/91/49/1040659149.db2.gz SQYFQCPWNYTORU-OALUTQOASA-N 0 3 322.452 3.775 20 30 DHEDHN N#Cc1sccc1N1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000597183037 1040680312 /nfs/dbraw/zinc/68/03/12/1040680312.db2.gz INYQLGZZSFUIFU-DLBZAZTESA-N 0 3 323.465 3.545 20 30 DHEDHN N#Cc1cc(CN2C[C@H]3CCCC[C@@H]3C2)ccc1Br ZINC001232894351 1040705234 /nfs/dbraw/zinc/70/52/34/1040705234.db2.gz YKPFORTWDJDVNJ-ZIAGYGMSSA-N 0 3 319.246 3.943 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456353101 1040786391 /nfs/dbraw/zinc/78/63/91/1040786391.db2.gz ZBDIBIWAFDJXBE-XLIONFOSSA-N 0 3 314.473 3.569 20 30 DHEDHN Cc1nc2ccccc2n1CCCNCc1cccc(F)c1C#N ZINC000601996140 1040853591 /nfs/dbraw/zinc/85/35/91/1040853591.db2.gz HJZBEOYLPZLIMK-UHFFFAOYSA-N 0 3 322.387 3.535 20 30 DHEDHN N#Cc1c(F)cccc1CN[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000602019447 1040856005 /nfs/dbraw/zinc/85/60/05/1040856005.db2.gz HJEIMWHLNLWCAX-CZUORRHYSA-N 0 3 316.401 3.769 20 30 DHEDHN N#CCc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000456734331 1040901983 /nfs/dbraw/zinc/90/19/83/1040901983.db2.gz PDDGHSRZHKOLFF-UHFFFAOYSA-N 0 3 319.408 3.601 20 30 DHEDHN C[C@H](CCC#N)CN1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000602448311 1041041445 /nfs/dbraw/zinc/04/14/45/1041041445.db2.gz DWEDTACSIFCAEQ-VWYCJHECSA-N 0 3 316.289 3.989 20 30 DHEDHN C[C@H](CCC#N)CN1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000602461246 1041047711 /nfs/dbraw/zinc/04/77/11/1041047711.db2.gz DXGSVHUHYBANHG-HUUCEWRRSA-N 0 3 321.415 3.583 20 30 DHEDHN N#CCCC[C@@H](N)C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC000602578264 1041111646 /nfs/dbraw/zinc/11/16/46/1041111646.db2.gz MLDYTQGOCGZZMZ-CYBMUJFWSA-N 0 3 320.462 3.541 20 30 DHEDHN C[C@H]1Cc2ccccc2N1C1CCN(CC2(CC#N)CC2)CC1 ZINC000602790786 1041214333 /nfs/dbraw/zinc/21/43/33/1041214333.db2.gz KAUSMQZRXNQXHF-INIZCTEOSA-N 0 3 309.457 3.596 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907100 1041295049 /nfs/dbraw/zinc/29/50/49/1041295049.db2.gz LEWCKEXWHYQEFJ-OAHLLOKOSA-N 0 3 316.408 3.766 20 30 DHEDHN COc1cc(C#N)ccc1CN1CCC2(CCSCC2)CC1 ZINC000602950132 1041320510 /nfs/dbraw/zinc/32/05/10/1041320510.db2.gz JKPZZYBTJHEFJQ-UHFFFAOYSA-N 0 3 316.470 3.676 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000598587121 1041347644 /nfs/dbraw/zinc/34/76/44/1041347644.db2.gz NCNJTPHBPZIINH-HZPDHXFCSA-N 0 3 306.837 3.778 20 30 DHEDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598598665 1041356291 /nfs/dbraw/zinc/35/62/91/1041356291.db2.gz IBMIRTPIXLUOJA-ZIAGYGMSSA-N 0 3 323.506 3.869 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CN1CC=C(c2cccc(Cl)c2)CC1 ZINC000598612560 1041359863 /nfs/dbraw/zinc/35/98/63/1041359863.db2.gz XGMVTVHCEIORCH-KRWDZBQOSA-N 0 3 318.848 3.730 20 30 DHEDHN C=CCC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000190366037 334951554 /nfs/dbraw/zinc/95/15/54/334951554.db2.gz SCVAKXKDZIICII-UHFFFAOYSA-N 0 3 312.457 3.514 20 30 DHEDHN N#C[C@H]1CC[C@@H](N2CCC(c3nc4c(s3)CCCC4)CC2)C1 ZINC000425508865 334952235 /nfs/dbraw/zinc/95/22/35/334952235.db2.gz NWIOOEZPAAHRJO-DZGCQCFKSA-N 0 3 315.486 3.894 20 30 DHEDHN C=C(C)CN1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180490010 334950788 /nfs/dbraw/zinc/95/07/88/334950788.db2.gz QDXHRZVFMZRTFI-OAQYLSRUSA-N 0 3 321.468 3.801 20 30 DHEDHN C=CCC1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCC1 ZINC000191304230 334991708 /nfs/dbraw/zinc/99/17/08/334991708.db2.gz QGWRVBYIJXHRNO-OAHLLOKOSA-N 0 3 318.486 3.748 20 30 DHEDHN CC[C@@H](c1ccncc1)N(C)CCCOc1cccc(C#N)c1 ZINC000092224536 193176813 /nfs/dbraw/zinc/17/68/13/193176813.db2.gz UZKYPQXWLVDBNE-IBGZPJMESA-N 0 3 309.413 3.805 20 30 DHEDHN C=C(C)[C@H](NCCc1cnn(CC)c1)c1ccc(F)c(F)c1 ZINC000285177434 335021701 /nfs/dbraw/zinc/02/17/01/335021701.db2.gz VILMXXIAXNJEEF-KRWDZBQOSA-N 0 3 305.372 3.631 20 30 DHEDHN C=CCC[C@H](N[C@@H]1C[C@@H](OCC)[C@]12CCCO2)c1ccco1 ZINC000286234856 335030913 /nfs/dbraw/zinc/03/09/13/335030913.db2.gz SYUKNIKQQXHXNA-HPBDAGMYSA-N 0 3 305.418 3.603 20 30 DHEDHN C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000286375637 335033422 /nfs/dbraw/zinc/03/34/22/335033422.db2.gz ALBALESYPNWBMD-AWEZNQCLSA-N 0 3 313.397 3.816 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000286375637 335033424 /nfs/dbraw/zinc/03/34/24/335033424.db2.gz ALBALESYPNWBMD-AWEZNQCLSA-N 0 3 313.397 3.816 20 30 DHEDHN C=CCC[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000192764263 335038954 /nfs/dbraw/zinc/03/89/54/335038954.db2.gz KOZCYKYRKOMOSX-LJQANCHMSA-N 0 3 312.457 3.685 20 30 DHEDHN C=CCC[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000192764247 335038981 /nfs/dbraw/zinc/03/89/81/335038981.db2.gz KOZCYKYRKOMOSX-IBGZPJMESA-N 0 3 312.457 3.685 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000287652193 335049152 /nfs/dbraw/zinc/04/91/52/335049152.db2.gz VAPRQYONUIRWHE-IKGGRYGDSA-N 0 3 303.450 3.602 20 30 DHEDHN CC(=O)Nc1ccn([C@@H]2CCN([C@H](C)c3cccc(C)c3)C2)n1 ZINC000328621213 257264427 /nfs/dbraw/zinc/26/44/27/257264427.db2.gz HORRBARQLKWSJD-RHSMWYFYSA-N 0 3 312.417 3.807 20 30 DHEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)COC2 ZINC000272174500 130005160 /nfs/dbraw/zinc/00/51/60/130005160.db2.gz DVTJBVCXIYLWPZ-AWEZNQCLSA-N 0 3 304.393 3.928 20 30 DHEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(N(C)C)cc1 ZINC000272202666 130006917 /nfs/dbraw/zinc/00/69/17/130006917.db2.gz JHCWBAXXPONWLH-HNNXBMFYSA-N 0 3 305.425 3.964 20 30 DHEDHN CC(=O)Nc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272788040 130064110 /nfs/dbraw/zinc/06/41/10/130064110.db2.gz XHMXKFCBBOCSHN-AWEZNQCLSA-N 0 3 319.408 3.857 20 30 DHEDHN C[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccc(C#N)c(F)c1 ZINC000274806201 130264074 /nfs/dbraw/zinc/26/40/74/130264074.db2.gz WUSJSCSYHVHGHN-ZDUSSCGKSA-N 0 3 312.388 3.776 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285387738 131163376 /nfs/dbraw/zinc/16/33/76/131163376.db2.gz SCEXSTRLRCPQTM-AWEZNQCLSA-N 0 3 309.369 3.702 20 30 DHEDHN Cc1cnccc1OC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000289392172 131381326 /nfs/dbraw/zinc/38/13/26/131381326.db2.gz MPZNFIHXBSDSDT-MRXNPFEDSA-N 0 3 321.424 3.866 20 30 DHEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)c(C)s1 ZINC000130629279 196096876 /nfs/dbraw/zinc/09/68/76/196096876.db2.gz LXDJXGXDDRCOSS-CYBMUJFWSA-N 0 3 309.394 3.742 20 30 DHEDHN C#Cc1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000290469002 335071612 /nfs/dbraw/zinc/07/16/12/335071612.db2.gz UPSPQSZHZQFUMG-PZJWPPBQSA-N 0 3 305.421 3.925 20 30 DHEDHN Cc1nc(NC[C@H](c2cccs2)N2CCCC2)ccc1C#N ZINC000487901698 429171540 /nfs/dbraw/zinc/17/15/40/429171540.db2.gz YICZRTXZCBEKBY-OAHLLOKOSA-N 0 3 312.442 3.572 20 30 DHEDHN C=C(C)CN1CCC(Nc2cc(C#N)c3ccccc3n2)CC1 ZINC000522934365 429598057 /nfs/dbraw/zinc/59/80/57/429598057.db2.gz JCQVZTXYUXHHRJ-UHFFFAOYSA-N 0 3 306.413 3.559 20 30 DHEDHN C#CC[C@@H](N[C@@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000292073420 335087673 /nfs/dbraw/zinc/08/76/73/335087673.db2.gz HPFJEQQERPHHMB-OXJNMPFZSA-N 0 3 320.436 3.804 20 30 DHEDHN CN(C)[C@@H](CNc1cc(C#N)c2ccccc2n1)c1ccccc1 ZINC000609890211 435354663 /nfs/dbraw/zinc/35/46/63/435354663.db2.gz XQKTYYWCBLKCFA-IBGZPJMESA-N 0 3 316.408 3.821 20 30 DHEDHN CC(C)(CCC#N)CNCc1ccsc1Br ZINC000282200668 332816814 /nfs/dbraw/zinc/81/68/14/332816814.db2.gz IBPLQOMGJMGWSO-UHFFFAOYSA-N 0 3 301.253 3.930 20 30 DHEDHN C=CC[C@@H](C)NCc1cc(OC)ccc1OCc1ccccn1 ZINC000116927008 331469089 /nfs/dbraw/zinc/46/90/89/331469089.db2.gz WNQDXYPUSUXGJK-OAHLLOKOSA-N 0 3 312.413 3.723 20 30 DHEDHN CC[C@H](CNCc1ccc(C#N)cc1F)Oc1ccccc1C ZINC000533446170 331532276 /nfs/dbraw/zinc/53/22/76/331532276.db2.gz NLVRDJHHQPIUCG-QGZVFWFLSA-N 0 3 312.388 3.953 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000533513409 331562592 /nfs/dbraw/zinc/56/25/92/331562592.db2.gz BKONCTTYQLASRB-QFBILLFUSA-N 0 3 314.473 3.931 20 30 DHEDHN COc1ccc(CNCc2ccsc2)cc1OCCCC#N ZINC000064614003 331832784 /nfs/dbraw/zinc/83/27/84/331832784.db2.gz FXVJXUIFXOYDAW-UHFFFAOYSA-N 0 3 316.426 3.729 20 30 DHEDHN C=CCCCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558909541 331956694 /nfs/dbraw/zinc/95/66/94/331956694.db2.gz MXUXZDDHTDYETK-MRXNPFEDSA-N 0 3 323.868 3.598 20 30 DHEDHN C=CCCOCCN[C@H](C)c1cc(Br)ccc1F ZINC000090883662 332053700 /nfs/dbraw/zinc/05/37/00/332053700.db2.gz SZAHOWACPXKROL-LLVKDONJSA-N 0 3 316.214 3.832 20 30 DHEDHN C[C@@]1(Cc2cccc(F)c2)CCCN1Cc1ccc(C#N)cn1 ZINC000569376091 332067986 /nfs/dbraw/zinc/06/79/86/332067986.db2.gz NAHQBPASPLTJQE-IBGZPJMESA-N 0 3 309.388 3.690 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCCCCC(C)(C)C)CC1 ZINC000518510399 332068793 /nfs/dbraw/zinc/06/87/93/332068793.db2.gz MTSGAMDLOOSWRC-UHFFFAOYSA-N 0 3 309.498 3.543 20 30 DHEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000569423689 332080397 /nfs/dbraw/zinc/08/03/97/332080397.db2.gz RMKLNTMUSKFWGV-RTBURBONSA-N 0 3 311.425 3.620 20 30 DHEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c(Br)c1 ZINC000181144910 332186605 /nfs/dbraw/zinc/18/66/05/332186605.db2.gz JZQNJRMDAZHJCV-BETUJISGSA-N 0 3 305.219 3.553 20 30 DHEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CN1C1CC1 ZINC000317815578 332200323 /nfs/dbraw/zinc/20/03/23/332200323.db2.gz YGIZZFJPZVTPJJ-ZYHUDNBSSA-N 0 3 309.335 3.614 20 30 DHEDHN C=C(C)COCCN[C@H]1CCc2c1cccc2Br ZINC000151996936 332251336 /nfs/dbraw/zinc/25/13/36/332251336.db2.gz XQYPQAJNEURGHR-HNNXBMFYSA-N 0 3 310.235 3.619 20 30 DHEDHN C=C(C)CCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000449475182 332260387 /nfs/dbraw/zinc/26/03/87/332260387.db2.gz KUGUGLOGCMJRFA-UHFFFAOYSA-N 0 3 320.234 3.895 20 30 DHEDHN C=CCOc1ccccc1CN1CCC(c2c[nH]nc2C)CC1 ZINC000560266288 332325315 /nfs/dbraw/zinc/32/53/15/332325315.db2.gz NQDFSXZDLRADBD-UHFFFAOYSA-N 0 3 311.429 3.663 20 30 DHEDHN C=CCC[C@@H](NCCNC(=O)c1cccc(C)c1)c1ccco1 ZINC000560514017 332348706 /nfs/dbraw/zinc/34/87/06/332348706.db2.gz AYOLNBGRWCQVRT-QGZVFWFLSA-N 0 3 312.413 3.615 20 30 DHEDHN C=CCOCCN(C)CC1(c2ccc(Br)cc2)CC1 ZINC000583369680 332364617 /nfs/dbraw/zinc/36/46/17/332364617.db2.gz BPHFRCMRXOKJNS-UHFFFAOYSA-N 0 3 324.262 3.615 20 30 DHEDHN Cc1ccc([C@@H](O)CNCc2cccc(OCCCC#N)c2)cc1 ZINC000237783460 332390711 /nfs/dbraw/zinc/39/07/11/332390711.db2.gz JQFZZJBLQULCAM-FQEVSTJZSA-N 0 3 324.424 3.501 20 30 DHEDHN Cc1cccc(OC2CCN(CC(C)(C)CCC#N)CC2)n1 ZINC000154330069 332431676 /nfs/dbraw/zinc/43/16/76/332431676.db2.gz MNUPQRJZPCEGNT-UHFFFAOYSA-N 0 3 301.434 3.563 20 30 DHEDHN CC(C)(CCC#N)CNCc1sccc1Br ZINC000126777778 332465677 /nfs/dbraw/zinc/46/56/77/332465677.db2.gz QVTUSUHKHXGNFA-UHFFFAOYSA-N 0 3 301.253 3.930 20 30 DHEDHN C=CCn1c2ccccc2nc1SCCN1CCCCC1 ZINC000247990694 332569977 /nfs/dbraw/zinc/56/99/77/332569977.db2.gz KGEPWITZFHWFJB-UHFFFAOYSA-N 0 3 301.459 3.800 20 30 DHEDHN N#Cc1csc(CNC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000177680213 332995572 /nfs/dbraw/zinc/99/55/72/332995572.db2.gz VVNDBDZBQQCUKL-GOSISDBHSA-N 0 3 311.454 3.546 20 30 DHEDHN CC(C)(C#N)CCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000174810173 333090891 /nfs/dbraw/zinc/09/08/91/333090891.db2.gz PFMRNKOMGDKZHF-INIZCTEOSA-N 0 3 314.429 3.925 20 30 DHEDHN CC(C#N)C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000462039906 333111656 /nfs/dbraw/zinc/11/16/56/333111656.db2.gz PLJVKWGLMVDGKS-UGSOOPFHSA-N 0 3 304.349 3.798 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000177991181 333134267 /nfs/dbraw/zinc/13/42/67/333134267.db2.gz ITKRBPZIEUOTCQ-FQEVSTJZSA-N 0 3 322.383 3.520 20 30 DHEDHN C=CCOCCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000294567674 335125848 /nfs/dbraw/zinc/12/58/48/335125848.db2.gz LYEMBQKAELHPMX-SFHVURJKSA-N 0 3 316.832 3.811 20 30 DHEDHN C=CCOCCN[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000294567671 335125976 /nfs/dbraw/zinc/12/59/76/335125976.db2.gz LYEMBQKAELHPMX-GOSISDBHSA-N 0 3 316.832 3.811 20 30 DHEDHN CC(C)(C)c1ccc([C@H](O)CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185831063 333214843 /nfs/dbraw/zinc/21/48/43/333214843.db2.gz DZTYBBWETNPCFB-JCGIZDLHSA-N 0 3 300.446 3.689 20 30 DHEDHN COCCCOc1cc(C)ccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185862167 333215294 /nfs/dbraw/zinc/21/52/94/333215294.db2.gz TXHSBFGANSWLKH-AEFFLSMTSA-N 0 3 316.445 3.582 20 30 DHEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cc(C)ccn1)C(C)C ZINC000517046493 333216096 /nfs/dbraw/zinc/21/60/96/333216096.db2.gz ZRLSXTGKDAFFQP-IEBWSBKVSA-N 0 3 301.478 3.739 20 30 DHEDHN C[C@H]1CCCC[C@H]1NCc1cc(C#N)ccc1Br ZINC000491809997 333217419 /nfs/dbraw/zinc/21/74/19/333217419.db2.gz JMJGAGSOKYGISI-XHDPSFHLSA-N 0 3 307.235 3.989 20 30 DHEDHN N#CCCn1cc(CN2CCCC3(CC3)C2)c(-c2ccccc2)n1 ZINC000186608935 333220894 /nfs/dbraw/zinc/22/08/94/333220894.db2.gz QTCJJEXCMPWNKY-UHFFFAOYSA-N 0 3 320.440 3.840 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000185344997 335129120 /nfs/dbraw/zinc/12/91/20/335129120.db2.gz NETAYMVEMLOSNZ-HZPDHXFCSA-N 0 3 320.502 3.679 20 30 DHEDHN C=CC[C@H](CC)N[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000500818500 333256297 /nfs/dbraw/zinc/25/62/97/333256297.db2.gz VISVBEKMNZCEFK-ZWKOTPCHSA-N 0 3 300.446 3.685 20 30 DHEDHN CC(C)(C#N)CCCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000193141707 333299677 /nfs/dbraw/zinc/29/96/77/333299677.db2.gz MJGJSWKKXUWMOL-UHFFFAOYSA-N 0 3 320.864 3.953 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000364427257 333313755 /nfs/dbraw/zinc/31/37/55/333313755.db2.gz HCWRLRPWISPBAO-DOTOQJQBSA-N 0 3 318.486 3.626 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000531444823 333354143 /nfs/dbraw/zinc/35/41/43/333354143.db2.gz BLHAZEPWGYPIML-SFHVURJKSA-N 0 3 313.445 3.862 20 30 DHEDHN CC(C)n1cnnc1[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000365203263 333356873 /nfs/dbraw/zinc/35/68/73/333356873.db2.gz MJZUUGBJGKPPJM-MRXNPFEDSA-N 0 3 317.481 3.758 20 30 DHEDHN C[C@@H](NCC(=O)Nc1sccc1C#N)[C@@H](C)C1CCCCC1 ZINC000185516568 335137915 /nfs/dbraw/zinc/13/79/15/335137915.db2.gz DPRAMLOKJBLTHW-CHWSQXEVSA-N 0 3 319.474 3.753 20 30 DHEDHN C=CCOc1cccc(CN2CCC(n3ccc(C)n3)CC2)c1 ZINC000369291186 333409557 /nfs/dbraw/zinc/40/95/57/333409557.db2.gz WJPIRJCFYDCCRT-UHFFFAOYSA-N 0 3 311.429 3.593 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc(OC)c(OC)c2)cc1 ZINC000060816064 333425498 /nfs/dbraw/zinc/42/54/98/333425498.db2.gz BLVFZKINBSKNNM-UHFFFAOYSA-N 0 3 313.397 3.558 20 30 DHEDHN Cc1csc([C@@H](NCCCC2(C#N)CCOCC2)C2CC2)n1 ZINC000337175000 333441021 /nfs/dbraw/zinc/44/10/21/333441021.db2.gz HPKVDCNENGBXPN-HNNXBMFYSA-N 0 3 319.474 3.593 20 30 DHEDHN N#CCCCOc1cccc(CN[C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000337308467 333445839 /nfs/dbraw/zinc/44/58/39/333445839.db2.gz SURGZZWDDLKCSP-HZPDHXFCSA-N 0 3 324.371 3.619 20 30 DHEDHN N#CCCOCCN1CCC(c2cccc3ccccc32)CC1 ZINC000338942910 333503381 /nfs/dbraw/zinc/50/33/81/333503381.db2.gz YZSCBQSVKXMBMH-UHFFFAOYSA-N 0 3 308.425 3.949 20 30 DHEDHN C=CCC[C@H](O)CN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000531614500 333538273 /nfs/dbraw/zinc/53/82/73/333538273.db2.gz MHNGACFFSVMJHS-SFHVURJKSA-N 0 3 315.457 3.525 20 30 DHEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000411465884 333677171 /nfs/dbraw/zinc/67/71/71/333677171.db2.gz YLFZEABKANMHPS-LSDHHAIUSA-N 0 3 322.412 3.677 20 30 DHEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(CN(C)C)c1 ZINC000412811109 333796874 /nfs/dbraw/zinc/79/68/74/333796874.db2.gz BQNUYIXXBJHFPB-FQEVSTJZSA-N 0 3 322.452 3.665 20 30 DHEDHN C=CCC1(CN[C@@H](C)c2ncc(C(=O)OC)s2)CCCC1 ZINC000414152043 333903743 /nfs/dbraw/zinc/90/37/43/333903743.db2.gz QKHZLSOUQFNMQS-LBPRGKRZSA-N 0 3 308.447 3.717 20 30 DHEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000414175322 333908557 /nfs/dbraw/zinc/90/85/57/333908557.db2.gz ZAXJBEHFVSQRBU-CYBMUJFWSA-N 0 3 314.433 3.561 20 30 DHEDHN Cc1noc(C)c1CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000271092073 334018396 /nfs/dbraw/zinc/01/83/96/334018396.db2.gz WTNNNXRFPIBYLO-UHFFFAOYSA-N 0 3 309.413 3.785 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2C[C@H]2c2ccco2)c(C(F)(F)F)c1 ZINC000414562299 334019858 /nfs/dbraw/zinc/01/98/58/334019858.db2.gz ARMVDLHZOVGHKI-TZMCWYRMSA-N 0 3 306.287 3.816 20 30 DHEDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCCCC#N ZINC000273075509 334042836 /nfs/dbraw/zinc/04/28/36/334042836.db2.gz PHZPTDANHMKIPT-UHFFFAOYSA-N 0 3 302.809 3.536 20 30 DHEDHN Cc1cc(CNCCCC#N)cc(C)c1OCc1ccccn1 ZINC000273067876 334042866 /nfs/dbraw/zinc/04/28/66/334042866.db2.gz NTAOBVPNOFXGRY-UHFFFAOYSA-N 0 3 309.413 3.671 20 30 DHEDHN COc1cc([C@@H](C)NCCCC#N)ccc1SC(F)F ZINC000273294598 334045033 /nfs/dbraw/zinc/04/50/33/334045033.db2.gz SVPWHKZXKBZDLW-SNVBAGLBSA-N 0 3 300.374 3.964 20 30 DHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000274574499 334063376 /nfs/dbraw/zinc/06/33/76/334063376.db2.gz BNCXTQFJAFNOLU-OUCADQQQSA-N 0 3 312.335 3.971 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC(O)(c2ccccc2)CC1 ZINC000278674620 334099737 /nfs/dbraw/zinc/09/97/37/334099737.db2.gz ILMDJTGNZKXUJM-UHFFFAOYSA-N 0 3 300.446 3.690 20 30 DHEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cn1 ZINC000279818240 334112065 /nfs/dbraw/zinc/11/20/65/334112065.db2.gz PDGQGMSGRJBLLI-LOWVWBTDSA-N 0 3 308.223 3.577 20 30 DHEDHN COc1ccc(CN2CCC(C)=C(C)C2)cc1OCCCC#N ZINC000280202979 334115382 /nfs/dbraw/zinc/11/53/82/334115382.db2.gz BNRUBHFKNUVOHW-UHFFFAOYSA-N 0 3 314.429 3.920 20 30 DHEDHN Cn1cccc1[C@H]1CCCCN1CCCC1(C#N)CCOCC1 ZINC000282105129 334131301 /nfs/dbraw/zinc/13/13/01/334131301.db2.gz WLFPFVDBKKRSTR-GOSISDBHSA-N 0 3 315.461 3.653 20 30 DHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OCC2CC2)c(F)c1 ZINC000282243995 334132699 /nfs/dbraw/zinc/13/26/99/334132699.db2.gz JERUVDHTBJLBSP-DUVNUKRYSA-N 0 3 302.393 3.957 20 30 DHEDHN CC(C)(C#N)CCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285415745 334147634 /nfs/dbraw/zinc/14/76/34/334147634.db2.gz DJANGJMUQJCXSG-AWEZNQCLSA-N 0 3 315.244 3.946 20 30 DHEDHN COc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)c(C)c1OC ZINC000287053964 334156230 /nfs/dbraw/zinc/15/62/30/334156230.db2.gz NCLNMALIHFZDDV-KKUMJFAQSA-N 0 3 302.418 3.745 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2ccncc2OCc2ccccc2)C1 ZINC000287656948 334158248 /nfs/dbraw/zinc/15/82/48/334158248.db2.gz VFDURAABFHVHQV-HKUYNNGSSA-N 0 3 321.424 3.833 20 30 DHEDHN COc1ccccc1O[C@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000289605797 334166793 /nfs/dbraw/zinc/16/67/93/334166793.db2.gz LAUONWHIORXDBN-INIZCTEOSA-N 0 3 316.445 3.868 20 30 DHEDHN CC(C)c1nccc(C2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000366669922 334168404 /nfs/dbraw/zinc/16/84/04/334168404.db2.gz RCHKVPPQJWJBFI-UHFFFAOYSA-N 0 3 320.440 3.851 20 30 DHEDHN N#CCC1(CN[C@@H]2CCc3sc(Br)cc32)CC1 ZINC000340373997 334177407 /nfs/dbraw/zinc/17/74/07/334177407.db2.gz BHHZETVRVDVHPU-SNVBAGLBSA-N 0 3 311.248 3.781 20 30 DHEDHN COc1ccc(CN(CCOCCC#N)Cc2ccccc2)cc1 ZINC000292914729 334194215 /nfs/dbraw/zinc/19/42/15/334194215.db2.gz XLFBZGSSINSDRJ-UHFFFAOYSA-N 0 3 324.424 3.628 20 30 DHEDHN Cn1cc2c(n1)CCC[C@H]2N[C@@H](CCCC#N)c1ccccc1 ZINC000340444125 334203073 /nfs/dbraw/zinc/20/30/73/334203073.db2.gz CDVKJJKNZJISCX-ZWKOTPCHSA-N 0 3 308.429 3.822 20 30 DHEDHN C=CCN1CC[C@H](N(C)C[C@@H](CC(C)C)c2ccccc2)C1=O ZINC000467524431 334266362 /nfs/dbraw/zinc/26/63/62/334266362.db2.gz YVIJBVVAFNHZQL-MOPGFXCFSA-N 0 3 314.473 3.535 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000582144220 334270381 /nfs/dbraw/zinc/27/03/81/334270381.db2.gz CDAJEZIDOMKNEM-FUHWJXTLSA-N 0 3 320.502 3.730 20 30 DHEDHN Cc1cccc(NC(=O)C[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000531951124 334309128 /nfs/dbraw/zinc/30/91/28/334309128.db2.gz AAIZURXFMMFIPN-CVEARBPZSA-N 0 3 321.424 3.935 20 30 DHEDHN Cc1cccc(NC(=O)C[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000531951125 334309183 /nfs/dbraw/zinc/30/91/83/334309183.db2.gz AAIZURXFMMFIPN-HOTGVXAUSA-N 0 3 321.424 3.935 20 30 DHEDHN Cc1cc(Br)ccc1CNCc1cccc(C#N)c1 ZINC000111388400 334324556 /nfs/dbraw/zinc/32/45/56/334324556.db2.gz IAUCSQOKNLODAQ-UHFFFAOYSA-N 0 3 315.214 3.919 20 30 DHEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000534941176 334349653 /nfs/dbraw/zinc/34/96/53/334349653.db2.gz DXOKVTMTYBSPBT-DNVCBOLYSA-N 0 3 304.393 3.515 20 30 DHEDHN COc1cccc(C[C@@H]2CCCN2Cc2cc(C#N)cs2)c1 ZINC000535080034 334365685 /nfs/dbraw/zinc/36/56/85/334365685.db2.gz GTOKOKWHXVGOMG-INIZCTEOSA-N 0 3 312.438 3.835 20 30 DHEDHN C=CCCCCCN(C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415961823 334631892 /nfs/dbraw/zinc/63/18/92/334631892.db2.gz SATSDOXZRYVLCJ-UHFFFAOYSA-N 0 3 319.424 3.682 20 30 DHEDHN C=C(C)COCCN[C@H]1CCCSc2ccc(OC)cc21 ZINC000188235788 334669526 /nfs/dbraw/zinc/66/95/26/334669526.db2.gz JYELGGNIWYUELY-INIZCTEOSA-N 0 3 307.459 3.805 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2CCO[C@H]2c2ccccc2)c(F)c1 ZINC000343220368 334688297 /nfs/dbraw/zinc/68/82/97/334688297.db2.gz FZSNWGVQDCQENK-HKUYNNGSSA-N 0 3 310.372 3.565 20 30 DHEDHN C=CCOc1ccccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000535510668 334737485 /nfs/dbraw/zinc/73/74/85/334737485.db2.gz JZDKIRWWWSXBOT-UHOSZYNNSA-N 0 3 313.441 3.689 20 30 DHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(Br)c1 ZINC000189581455 334902099 /nfs/dbraw/zinc/90/20/99/334902099.db2.gz ZJOIFOBXHDXRQS-LLVKDONJSA-N 0 3 318.218 3.510 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(-n2cccn2)c1 ZINC000343689031 335188332 /nfs/dbraw/zinc/18/83/32/335188332.db2.gz LBAGEJLBUALLQA-MRXNPFEDSA-N 0 3 316.408 3.789 20 30 DHEDHN N#CCCCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000344343407 335242830 /nfs/dbraw/zinc/24/28/30/335242830.db2.gz CHYXHRGYIUTYOE-UHFFFAOYSA-N 0 3 305.381 3.531 20 30 DHEDHN Cc1ccc([C@@H]2OCCC[C@H]2NCc2cc(C#N)cs2)cc1 ZINC000344646036 335268187 /nfs/dbraw/zinc/26/81/87/335268187.db2.gz UZHSVFAOFYQGER-MSOLQXFVSA-N 0 3 312.438 3.938 20 30 DHEDHN CO[C@H](CNCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000344717795 335275165 /nfs/dbraw/zinc/27/51/65/335275165.db2.gz RMDCMDOSBHWKGB-OAHLLOKOSA-N 0 3 306.818 3.750 20 30 DHEDHN CC(C)(C#N)CCCCN1CCN(CC2CCCCC2)CC1 ZINC000444598492 338476021 /nfs/dbraw/zinc/47/60/21/338476021.db2.gz PEUWTEBOQDEQKO-UHFFFAOYSA-N 0 3 305.510 3.904 20 30 DHEDHN C=C(C)COCCNCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000344953272 335287803 /nfs/dbraw/zinc/28/78/03/335287803.db2.gz DRSWXMREZDMOLF-UHFFFAOYSA-N 0 3 319.836 3.516 20 30 DHEDHN C#CCCN1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000366886943 335293725 /nfs/dbraw/zinc/29/37/25/335293725.db2.gz QMCHCPHVSOVTFN-UHFFFAOYSA-N 0 3 310.224 3.911 20 30 DHEDHN C[C@H](N[C@H]1CCCC[C@H]1n1cccn1)c1ccc(C#N)c(F)c1 ZINC000346149315 335381930 /nfs/dbraw/zinc/38/19/30/335381930.db2.gz DFISKSCEFIKJEA-DOPJRALCSA-N 0 3 312.392 3.728 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccc(-n2ccnc2)c1 ZINC000346534295 335419436 /nfs/dbraw/zinc/41/94/36/335419436.db2.gz OPYPCLBDVJIXIP-MRXNPFEDSA-N 0 3 316.408 3.789 20 30 DHEDHN N#CCCCN[C@@H]1CCc2c1cc(Cl)cc2Br ZINC000346805955 335437760 /nfs/dbraw/zinc/43/77/60/335437760.db2.gz ABHNPKWORWLDME-CYBMUJFWSA-N 0 3 313.626 3.983 20 30 DHEDHN C=CC1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000346843807 335445724 /nfs/dbraw/zinc/44/57/24/335445724.db2.gz XIMIEMGWQMFCAS-UHFFFAOYSA-N 0 3 312.457 3.711 20 30 DHEDHN COc1cc([C@@H](C)NCc2ccccc2C(C)(C)C#N)ccn1 ZINC000347635645 335512349 /nfs/dbraw/zinc/51/23/49/335512349.db2.gz XOQADPJKZOKHIX-CQSZACIVSA-N 0 3 309.413 3.742 20 30 DHEDHN C[C@@H](NC[C@@H](CO)c1ccccc1Cl)c1cccc(C#N)c1 ZINC000348317280 335576274 /nfs/dbraw/zinc/57/62/74/335576274.db2.gz JKQYCRQANKOVAZ-CJNGLKHVSA-N 0 3 314.816 3.638 20 30 DHEDHN C=CCC[C@@H](O)CN[C@H](CC(F)(F)F)c1ccccc1C ZINC000444784095 338488629 /nfs/dbraw/zinc/48/86/29/338488629.db2.gz URALZIQBOKBGBU-UKRRQHHQSA-N 0 3 301.352 3.905 20 30 DHEDHN Cc1cnc([C@H](C)CN[C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000349837573 335705268 /nfs/dbraw/zinc/70/52/68/335705268.db2.gz VQYBCRMQPYCXRG-PWSUYJOCSA-N 0 3 303.406 3.917 20 30 DHEDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN([C@H]2C[C@H]2c2ccccc2)C1 ZINC000329837243 336088104 /nfs/dbraw/zinc/08/81/04/336088104.db2.gz VJOWDNKDYFOCOU-RYRKJORJSA-N 0 3 324.428 3.753 20 30 DHEDHN C[C@@H](C1CC1)n1cc(NC(=O)[C@H]2CCCN2C2CCCC2)cn1 ZINC000330324267 336158318 /nfs/dbraw/zinc/15/83/18/336158318.db2.gz UAVUDRDYHADVAQ-SUMWQHHRSA-N 0 3 316.449 3.849 20 30 DHEDHN C[C@@H]1CCC[C@@H](C)C1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332640309 336177166 /nfs/dbraw/zinc/17/71/66/336177166.db2.gz HKABGYVIQHLZAZ-CHWSQXEVSA-N 0 3 310.401 3.523 20 30 DHEDHN CCC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000352618047 336227172 /nfs/dbraw/zinc/22/71/72/336227172.db2.gz LFRQKXFZQWXWAA-UHFFFAOYSA-N 0 3 308.429 3.581 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000103499568 336242092 /nfs/dbraw/zinc/24/20/92/336242092.db2.gz KLDFYZNIFJCGOC-ZIAGYGMSSA-N 0 3 306.475 3.528 20 30 DHEDHN CC(C)(C)C1CCC(O)(CNCc2ccc(C#N)cc2F)CC1 ZINC000532568446 336255885 /nfs/dbraw/zinc/25/58/85/336255885.db2.gz KZIFHKMZRHOAFA-UHFFFAOYSA-N 0 3 318.436 3.754 20 30 DHEDHN N#Cc1csc(CNC2CCC(c3ccc(F)cc3)CC2)n1 ZINC000352836955 336272799 /nfs/dbraw/zinc/27/27/99/336272799.db2.gz NGMBFCOCRMTCGM-UHFFFAOYSA-N 0 3 315.417 3.970 20 30 DHEDHN Cc1noc(C)c1CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352843877 336276034 /nfs/dbraw/zinc/27/60/34/336276034.db2.gz CUFZZABXIXMQNF-UHFFFAOYSA-N 0 3 323.318 3.514 20 30 DHEDHN CN(C)[C@H](CNc1nc2c(cc1C#N)CCCC2)c1ccccc1 ZINC000301072912 336288522 /nfs/dbraw/zinc/28/85/22/336288522.db2.gz FVHRDPHZESYOHA-LJQANCHMSA-N 0 3 320.440 3.547 20 30 DHEDHN COc1ccc([C@@H](CNc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000301113559 336290583 /nfs/dbraw/zinc/29/05/83/336290583.db2.gz XUOHDXAVHIJVGB-HXUWFJFHSA-N 0 3 321.424 3.816 20 30 DHEDHN N#Cc1ccc(N2CCN(C3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000301321168 336300608 /nfs/dbraw/zinc/30/06/08/336300608.db2.gz GTXKNLYUEKEWQZ-UHFFFAOYSA-N 0 3 323.362 3.642 20 30 DHEDHN N#Cc1cc(F)ccc1N[C@H](CN1CCCC1)c1ccccc1 ZINC000301362584 336302557 /nfs/dbraw/zinc/30/25/57/336302557.db2.gz MLEFCBCZYYKWEH-LJQANCHMSA-N 0 3 309.388 3.946 20 30 DHEDHN C=CCN1CCC(Nc2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000301392510 336304098 /nfs/dbraw/zinc/30/40/98/336304098.db2.gz IEBNFLVXKGNUDF-UHFFFAOYSA-N 0 3 320.440 3.786 20 30 DHEDHN N#Cc1cc(N2CCN(C3CCCCC3)CC2)c2ccccc2n1 ZINC000301698992 336324313 /nfs/dbraw/zinc/32/43/13/336324313.db2.gz DNROYWUZHFYWMO-UHFFFAOYSA-N 0 3 320.440 3.561 20 30 DHEDHN C=CCN1CCC(Nc2c(C)cnc3c(OC)cccc32)CC1 ZINC000302646709 336363437 /nfs/dbraw/zinc/36/34/37/336363437.db2.gz MIFMZAQCAWPOLT-UHFFFAOYSA-N 0 3 311.429 3.614 20 30 DHEDHN CC[C@H](CC#N)N[C@@H]1CCc2cccc(Br)c2C1 ZINC000352915987 336376951 /nfs/dbraw/zinc/37/69/51/336376951.db2.gz QXQCOYZQMQLZND-CHWSQXEVSA-N 0 3 307.235 3.588 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000352949206 336378949 /nfs/dbraw/zinc/37/89/49/336378949.db2.gz RLESQIYUBTUBAO-VXGBXAGGSA-N 0 3 301.390 3.580 20 30 DHEDHN COc1cc(CNCc2ccc3nc(C)sc3c2)ccc1C#N ZINC000353216527 336406799 /nfs/dbraw/zinc/40/67/99/336406799.db2.gz GTXHWCLLJZFJJI-UHFFFAOYSA-N 0 3 323.421 3.775 20 30 DHEDHN CO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000356182892 336539659 /nfs/dbraw/zinc/53/96/59/336539659.db2.gz JLTCSPISSDNKNC-HUUCEWRRSA-N 0 3 312.335 3.624 20 30 DHEDHN C=CCCOCCN[C@@H]1CCc2ccc(Br)cc21 ZINC000193165421 336644777 /nfs/dbraw/zinc/64/47/77/336644777.db2.gz MCGAVVGGXRXSHG-OAHLLOKOSA-N 0 3 310.235 3.619 20 30 DHEDHN C=CCC1(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CCC1 ZINC000359546562 336677067 /nfs/dbraw/zinc/67/70/67/336677067.db2.gz QJTKOCBALFGTOY-GJZGRUSLSA-N 0 3 304.434 3.571 20 30 DHEDHN COc1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000360656163 336717633 /nfs/dbraw/zinc/71/76/33/336717633.db2.gz GJJBSZKXZMVZFS-GOSISDBHSA-N 0 3 307.397 3.519 20 30 DHEDHN Cc1cc(CN2CCC(OCCC(C)C)CC2)ccc1C#N ZINC000362919840 336814820 /nfs/dbraw/zinc/81/48/20/336814820.db2.gz ZTPOVTCHUWDICL-UHFFFAOYSA-N 0 3 300.446 3.894 20 30 DHEDHN Cc1ccccc1C1(O)CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000369810708 336872107 /nfs/dbraw/zinc/87/21/07/336872107.db2.gz MFISYDSZTKBTDD-KRWDZBQOSA-N 0 3 320.436 3.911 20 30 DHEDHN N#CC1(CN[C@@H]2CCc3cc(Br)ccc3C2)CCC1 ZINC000418145347 336896801 /nfs/dbraw/zinc/89/68/01/336896801.db2.gz XOLZOVCYCLFWJI-OAHLLOKOSA-N 0 3 319.246 3.590 20 30 DHEDHN N#CC1(c2ccccn2)CCN(c2ccnc3ccccc32)CC1 ZINC000374492939 336990454 /nfs/dbraw/zinc/99/04/54/336990454.db2.gz SKVYSGPKUUBMTQ-UHFFFAOYSA-N 0 3 314.392 3.692 20 30 DHEDHN N#CCCCOc1cccc(CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000375317600 337007919 /nfs/dbraw/zinc/00/79/19/337007919.db2.gz GRSPHXPFJXEMNI-RBUKOAKNSA-N 0 3 314.429 3.513 20 30 DHEDHN Cc1cc(C)nc(C2CCN([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000375704053 337017201 /nfs/dbraw/zinc/01/72/01/337017201.db2.gz ZUWVJMCKCQXSGE-MRXNPFEDSA-N 0 3 320.440 3.906 20 30 DHEDHN C[C@H](Cc1ccccc1)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000376649482 337039176 /nfs/dbraw/zinc/03/91/76/337039176.db2.gz UXTLMAMQTNHVKQ-GOSISDBHSA-N 0 3 319.452 3.818 20 30 DHEDHN N#Cc1ccc2ncc(CNCc3ccc4ccccc4c3)n2c1 ZINC000123468505 337048457 /nfs/dbraw/zinc/04/84/57/337048457.db2.gz PHXHFKPKJYQPLA-UHFFFAOYSA-N 0 3 312.376 3.649 20 30 DHEDHN N#Cc1cc(CN2CCC[C@](O)(c3ccccc3)CC2)ccc1F ZINC000377557217 337055288 /nfs/dbraw/zinc/05/52/88/337055288.db2.gz STFYKOVQDQLPOZ-HXUWFJFHSA-N 0 3 324.399 3.571 20 30 DHEDHN COc1cc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)ccc1C#N ZINC000377774102 337060745 /nfs/dbraw/zinc/06/07/45/337060745.db2.gz IZYZRRQJBXWJFQ-MOPGFXCFSA-N 0 3 322.408 3.577 20 30 DHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CCOCC2)s1 ZINC000378007141 337065049 /nfs/dbraw/zinc/06/50/49/337065049.db2.gz VRUOCMJJPJISFD-GOSISDBHSA-N 0 3 312.438 3.877 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](CC)c1ccc(Cl)cc1 ZINC000218208433 337082680 /nfs/dbraw/zinc/08/26/80/337082680.db2.gz GUJCZAFELQCYAH-MRXNPFEDSA-N 0 3 306.837 3.581 20 30 DHEDHN C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000177824810 337157602 /nfs/dbraw/zinc/15/76/02/337157602.db2.gz RFSSOIOOPPMDMP-YWZLYKJASA-N 0 3 319.408 3.580 20 30 DHEDHN C=CCOc1cccc(CN(C)CCc2ncc(C)s2)c1 ZINC000180058286 337173408 /nfs/dbraw/zinc/17/34/08/337173408.db2.gz CSSSEQWDWCAQJZ-UHFFFAOYSA-N 0 3 302.443 3.691 20 30 DHEDHN N#CCCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180429838 337174569 /nfs/dbraw/zinc/17/45/69/337174569.db2.gz MYGJLVBCXDYUMH-GOSISDBHSA-N 0 3 309.369 3.968 20 30 DHEDHN C=CCC[C@H](CO)NCc1ccc(Br)c(Cl)c1 ZINC000321058563 337190637 /nfs/dbraw/zinc/19/06/37/337190637.db2.gz XSXLTNMQRMFBDP-LLVKDONJSA-N 0 3 318.642 3.519 20 30 DHEDHN COc1ccccc1C[C@H](C)N(C)Cc1cc(C#N)ccc1F ZINC000321094804 337197749 /nfs/dbraw/zinc/19/77/49/337197749.db2.gz NZUYSLQEIHKLAV-AWEZNQCLSA-N 0 3 312.388 3.769 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000216703903 337226636 /nfs/dbraw/zinc/22/66/36/337226636.db2.gz WVDWVKIEJQNRCQ-GOSISDBHSA-N 0 3 320.864 3.805 20 30 DHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCCC#N ZINC000185937271 337251744 /nfs/dbraw/zinc/25/17/44/337251744.db2.gz VIFLXGGSXLEZRP-JYJNAYRXSA-N 0 3 306.450 3.655 20 30 DHEDHN C=CCC[C@H](C(=O)N(C)CC1CCN(C)CC1)c1ccccc1 ZINC000189139041 337277619 /nfs/dbraw/zinc/27/76/19/337277619.db2.gz DWHHFZREYHNXTM-IBGZPJMESA-N 0 3 314.473 3.537 20 30 DHEDHN CC(C)OC1CC(NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000189561021 337280099 /nfs/dbraw/zinc/28/00/99/337280099.db2.gz OBGYJIPWOJAEKF-UHFFFAOYSA-N 0 3 311.347 3.603 20 30 DHEDHN N#Cc1ccc(NC(=O)CCNC2(c3ccccc3)CCC2)cc1 ZINC000064343726 337301864 /nfs/dbraw/zinc/30/18/64/337301864.db2.gz SWLGVVPFQVXHJT-UHFFFAOYSA-N 0 3 319.408 3.556 20 30 DHEDHN Cc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C2 ZINC000583782622 337332685 /nfs/dbraw/zinc/33/26/85/337332685.db2.gz UQKBBDSMXMAGDW-BBRMVZONSA-N 0 3 310.372 3.660 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2ccc3sccc3c2)CC1 ZINC000268377202 337635095 /nfs/dbraw/zinc/63/50/95/337635095.db2.gz IHRYXLXRLKMXQN-UHFFFAOYSA-N 0 3 314.454 3.672 20 30 DHEDHN C=C1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000268884252 337635559 /nfs/dbraw/zinc/63/55/59/337635559.db2.gz FQXRVHNRBUQVKN-UHFFFAOYSA-N 0 3 312.335 3.686 20 30 DHEDHN C#CC[C@H](NCc1ccc(OC)c(OCC)c1)c1ccccc1 ZINC000270187223 337639242 /nfs/dbraw/zinc/63/92/42/337639242.db2.gz KHKKGFZDOJCCNW-SFHVURJKSA-N 0 3 309.409 3.948 20 30 DHEDHN COc1ccc([C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C2CC2)cn1 ZINC000528043357 337785532 /nfs/dbraw/zinc/78/55/32/337785532.db2.gz NTAGWSXLXRYOJK-QUCCMNQESA-N 0 3 319.408 3.690 20 30 DHEDHN N#CCCC[C@@H](N)C(=O)NCC1(C2CCCCC2)CCCCC1 ZINC000424166844 337789584 /nfs/dbraw/zinc/78/95/84/337789584.db2.gz BOSWFTZVDUQQJB-QGZVFWFLSA-N 0 3 319.493 3.655 20 30 DHEDHN C=CCn1cc(CN[C@H]2CCCC[C@H](c3ccccc3)C2)nn1 ZINC000424171009 337791595 /nfs/dbraw/zinc/79/15/95/337791595.db2.gz KZXLSTIQAJCEET-ROUUACIJSA-N 0 3 310.445 3.670 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc(-c2ccc(F)cc2)n1 ZINC000424179424 337799953 /nfs/dbraw/zinc/79/99/53/337799953.db2.gz YLLZYXUSFKNLKY-BBRMVZONSA-N 0 3 318.417 3.630 20 30 DHEDHN CC(C)C[C@@H](CNCc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000424185615 337801954 /nfs/dbraw/zinc/80/19/54/337801954.db2.gz GYGKCFVAZMHIBW-AWEZNQCLSA-N 0 3 322.474 3.713 20 30 DHEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2c2ccc(Cl)cc2)nn1 ZINC000424294365 337816844 /nfs/dbraw/zinc/81/68/44/337816844.db2.gz KTRISZYCLVXILX-IRXDYDNUSA-N 0 3 316.836 3.543 20 30 DHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)c(F)c1 ZINC000424323374 337820555 /nfs/dbraw/zinc/82/05/55/337820555.db2.gz JACCIOHNYGDRRH-JBLDHEPKSA-N 0 3 311.198 3.931 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000424607515 337905760 /nfs/dbraw/zinc/90/57/60/337905760.db2.gz RHBIFVCGVKEQSY-UHFFFAOYSA-N 0 3 314.473 3.678 20 30 DHEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000516998459 337982686 /nfs/dbraw/zinc/98/26/86/337982686.db2.gz TZZPWTRBDLMQBL-LRDNONRASA-N 0 3 322.408 3.610 20 30 DHEDHN CCC(O)(CC)C(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000515869527 338000476 /nfs/dbraw/zinc/00/04/76/338000476.db2.gz CJCCTCHORQMPLY-CYBMUJFWSA-N 0 3 306.425 3.925 20 30 DHEDHN CO[C@H](C)CN(CC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000426524727 338034029 /nfs/dbraw/zinc/03/40/29/338034029.db2.gz PSRWYJJYLAHICE-CQSZACIVSA-N 0 3 313.363 3.802 20 30 DHEDHN C=CCOc1ccc(CN(CC(C)(C)O)C2CC2)cc1Cl ZINC000428397356 338050181 /nfs/dbraw/zinc/05/01/81/338050181.db2.gz BVAFLODIAYTNEL-UHFFFAOYSA-N 0 3 309.837 3.640 20 30 DHEDHN C[C@@H](CNCc1ccc(C#N)cc1F)Oc1ccc(Cl)cc1 ZINC000428555131 338056103 /nfs/dbraw/zinc/05/61/03/338056103.db2.gz XBYHTPOEHMKIOI-LBPRGKRZSA-N 0 3 318.779 3.908 20 30 DHEDHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1CCC#N ZINC000429407291 338079857 /nfs/dbraw/zinc/07/98/57/338079857.db2.gz VIMGFONGBYROSX-FQEVSTJZSA-N 0 3 313.489 3.565 20 30 DHEDHN CC[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1Br ZINC000429768649 338089332 /nfs/dbraw/zinc/08/93/32/338089332.db2.gz UEMJNOXXCQXNER-IUODEOHRSA-N 0 3 307.235 3.989 20 30 DHEDHN C/C(=C/c1ccccc1)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430183338 338100027 /nfs/dbraw/zinc/10/00/27/338100027.db2.gz AKANXRMBVXRALA-QMDZLVRISA-N 0 3 319.408 3.510 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@H](CSC)C2)cc1OC ZINC000430198834 338100881 /nfs/dbraw/zinc/10/08/81/338100881.db2.gz QGQDAJRJULVMMP-INIZCTEOSA-N 0 3 321.486 3.835 20 30 DHEDHN CSC[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000430208226 338101428 /nfs/dbraw/zinc/10/14/28/338101428.db2.gz SYCHXVSJNGJZSX-KRWDZBQOSA-N 0 3 318.486 3.944 20 30 DHEDHN N#CCCC[C@@H](NCC(=O)Nc1ccccc1)c1ccccc1 ZINC000433017944 338176396 /nfs/dbraw/zinc/17/63/96/338176396.db2.gz DKTQDKGBQFEWGL-GOSISDBHSA-N 0 3 307.397 3.650 20 30 DHEDHN CCN(Cc1cccs1)C(=O)C(C#N)CCc1ccccc1 ZINC000433223524 338186546 /nfs/dbraw/zinc/18/65/46/338186546.db2.gz PXRYRVRYLHODMF-MRXNPFEDSA-N 0 3 312.438 3.869 20 30 DHEDHN Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)c(C)c1 ZINC000433225419 338186584 /nfs/dbraw/zinc/18/65/84/338186584.db2.gz BLZRYEAKVYBKPC-GOSISDBHSA-N 0 3 306.409 3.692 20 30 DHEDHN CCN(Cc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433233407 338187036 /nfs/dbraw/zinc/18/70/36/338187036.db2.gz OXWAWZGJZMRERY-IBGZPJMESA-N 0 3 306.409 3.808 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000433314444 338191790 /nfs/dbraw/zinc/19/17/90/338191790.db2.gz AORCTTPTZZGICZ-APWZRJJASA-N 0 3 322.383 3.702 20 30 DHEDHN CS[C@@H]1CCC[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433340592 338193250 /nfs/dbraw/zinc/19/32/50/338193250.db2.gz FAHAMUYJERNYDN-YESZJQIVSA-N 0 3 316.470 3.549 20 30 DHEDHN CC(C)N(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000435230254 338234833 /nfs/dbraw/zinc/23/48/33/338234833.db2.gz BMVRFIYRJDIVRY-UHFFFAOYSA-N 0 3 304.397 3.617 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(-c2ccccc2)n1 ZINC000435732943 338246765 /nfs/dbraw/zinc/24/67/65/338246765.db2.gz SKHOHVUUCSKBTG-WBVHZDCISA-N 0 3 314.454 3.881 20 30 DHEDHN C=CCC[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000435755409 338248057 /nfs/dbraw/zinc/24/80/57/338248057.db2.gz JHCWTVAFWCFAKI-BQFCYCMXSA-N 0 3 300.446 3.683 20 30 DHEDHN C=CCC[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000435755410 338248079 /nfs/dbraw/zinc/24/80/79/338248079.db2.gz JHCWTVAFWCFAKI-JZXOWHBKSA-N 0 3 300.446 3.683 20 30 DHEDHN C=CCN(C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000154795172 338252823 /nfs/dbraw/zinc/25/28/23/338252823.db2.gz XTIFDJJWAOMCND-UHFFFAOYSA-N 0 3 310.397 3.565 20 30 DHEDHN CCN(C(=O)C(C)C#N)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000435949377 338253961 /nfs/dbraw/zinc/25/39/61/338253961.db2.gz RJHWZRXTOGRKAS-NEPJUHHUSA-N 0 3 312.335 3.645 20 30 DHEDHN C=CC(C)(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000448583609 338296432 /nfs/dbraw/zinc/29/64/32/338296432.db2.gz UXWREKQZNDDSGI-HNNXBMFYSA-N 0 3 320.502 3.850 20 30 DHEDHN COc1ccc(C#N)cc1CN1C[C@H](c2ccccc2)C[C@@H]1C ZINC000437849365 338323317 /nfs/dbraw/zinc/32/33/17/338323317.db2.gz GCVOFULZAPKVRI-MAUKXSAKSA-N 0 3 306.409 3.945 20 30 DHEDHN COc1cc(CN[C@H](C)[C@H]2Oc3ccccc3[C@H]2C)ccc1C#N ZINC000440624893 338392932 /nfs/dbraw/zinc/39/29/32/338392932.db2.gz JPTOJIQZASRMBB-JZKQVHKSSA-N 0 3 322.408 3.610 20 30 DHEDHN COc1cc(CN[C@]2(C)CCCc3ccccc32)ccc1C#N ZINC000440821388 338398088 /nfs/dbraw/zinc/39/80/88/338398088.db2.gz MXTQOQYJJBJJBU-HXUWFJFHSA-N 0 3 306.409 3.908 20 30 DHEDHN C=CCOc1cccc(CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000441382017 338411354 /nfs/dbraw/zinc/41/13/54/338411354.db2.gz IRRSQRVHMNZBQR-OAQYLSRUSA-N 0 3 323.436 3.565 20 30 DHEDHN CC[C@H](NCc1ccc(NCCOC)cc1)c1ccc(C#N)cc1 ZINC000447542861 338555691 /nfs/dbraw/zinc/55/56/91/338555691.db2.gz KHXFJRUJZROBCD-FQEVSTJZSA-N 0 3 323.440 3.857 20 30 DHEDHN CC1(C#N)CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000449248038 338606471 /nfs/dbraw/zinc/60/64/71/338606471.db2.gz HSHATOLWUXUACT-UHFFFAOYSA-N 0 3 307.781 3.810 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449248553 338606533 /nfs/dbraw/zinc/60/65/33/338606533.db2.gz JOEVQFAYAYXGPJ-GPCCPHFNSA-N 0 3 323.209 3.857 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000451606193 338740195 /nfs/dbraw/zinc/74/01/95/338740195.db2.gz MJRRFXFOSRIQBU-GDLCADMTSA-N 0 3 301.308 3.579 20 30 DHEDHN C=CC[C@@H](CC)N[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000467409868 339026268 /nfs/dbraw/zinc/02/62/68/339026268.db2.gz BCVJBKFNGRWDSO-IUODEOHRSA-N 0 3 302.397 3.720 20 30 DHEDHN COc1ccc(C)cc1[C@H](C)NCCOc1ccccc1C#N ZINC000459704206 339043552 /nfs/dbraw/zinc/04/35/52/339043552.db2.gz XFBRZJVSJQOOJI-HNNXBMFYSA-N 0 3 310.397 3.605 20 30 DHEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C12CCC2 ZINC000459797519 339049062 /nfs/dbraw/zinc/04/90/62/339049062.db2.gz WYNJLTNURIPVKY-GJZGRUSLSA-N 0 3 324.346 3.624 20 30 DHEDHN CC(C)O[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1(C)C ZINC000463565534 339121616 /nfs/dbraw/zinc/12/16/16/339121616.db2.gz UUUVKBINXKCDAH-AFAVFJNCSA-N 0 3 304.409 3.940 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)cc(F)c1)C(C)C ZINC000463818008 339126423 /nfs/dbraw/zinc/12/64/23/339126423.db2.gz NHODJKVWFPBSDD-GOSISDBHSA-N 0 3 318.436 3.563 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)C[C@H]1CC)C(C)C ZINC000465543910 339179196 /nfs/dbraw/zinc/17/91/96/339179196.db2.gz KZTUIMMEMATAAB-KZNAEPCWSA-N 0 3 321.509 3.515 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000466244065 339197694 /nfs/dbraw/zinc/19/76/94/339197694.db2.gz JASVACPEXJAHML-PKOBYXMFSA-N 0 3 314.473 3.712 20 30 DHEDHN COc1ccc(CNCCc2cccc(C#N)c2)c(Cl)c1 ZINC000466426844 339204458 /nfs/dbraw/zinc/20/44/58/339204458.db2.gz XSVZOPSEJMRACL-UHFFFAOYSA-N 0 3 300.789 3.553 20 30 DHEDHN C=CCCN(C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000467367476 339234365 /nfs/dbraw/zinc/23/43/65/339234365.db2.gz DCCUJBSHZUBWPX-UHFFFAOYSA-N 0 3 324.424 3.955 20 30 DHEDHN C=CCCN(C)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000467377988 339235343 /nfs/dbraw/zinc/23/53/43/339235343.db2.gz QKKDXTDTLSOUPF-MRXNPFEDSA-N 0 3 309.837 3.906 20 30 DHEDHN C=CCC[C@@H](CC)NCc1ccncc1OCC(F)(F)F ZINC000467435702 339238421 /nfs/dbraw/zinc/23/84/21/339238421.db2.gz ZFZCTBWUYFEOGE-CYBMUJFWSA-N 0 3 302.340 3.857 20 30 DHEDHN Cc1ccc(CNC(=O)C(C)C#N)c(O[C@@H](C)CC(C)C)c1 ZINC000468254002 339257683 /nfs/dbraw/zinc/25/76/83/339257683.db2.gz ZGVSHYAPFHPDBS-GJZGRUSLSA-N 0 3 302.418 3.584 20 30 DHEDHN C=CC[C@@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)c1ccccc1 ZINC000468488099 339264050 /nfs/dbraw/zinc/26/40/50/339264050.db2.gz PJDMBNOHTDXOQC-MSOLQXFVSA-N 0 3 314.473 3.583 20 30 DHEDHN Cc1cc(CN(C(=O)C(C)C#N)C2CCCC2)c2ccccc2n1 ZINC000468889651 339273868 /nfs/dbraw/zinc/27/38/68/339273868.db2.gz GOWZOPNZDFZFAI-AWEZNQCLSA-N 0 3 321.424 3.974 20 30 DHEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000469378555 339287393 /nfs/dbraw/zinc/28/73/93/339287393.db2.gz HKCHRFGYXXBORE-FZMZJTMJSA-N 0 3 310.319 3.919 20 30 DHEDHN COc1ccccc1-c1ccc([C@H](C)NC(=O)C(C)C#N)cc1 ZINC000469721453 339296577 /nfs/dbraw/zinc/29/65/77/339296577.db2.gz VEANAIRLLJDTSV-KGLIPLIRSA-N 0 3 308.381 3.699 20 30 DHEDHN C=CCOCCCN1CC=C(c2ccc(OCC)cc2)CC1 ZINC000470761914 339326934 /nfs/dbraw/zinc/32/69/34/339326934.db2.gz ZVKXJYBMYPWODK-UHFFFAOYSA-N 0 3 301.430 3.767 20 30 DHEDHN C=CCOCCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000470764589 339327119 /nfs/dbraw/zinc/32/71/19/339327119.db2.gz HPSWMAZCDYTFLN-INIZCTEOSA-N 0 3 300.402 3.948 20 30 DHEDHN C=CCOc1ccc(CNCCC(O)(CC)CC)cc1Cl ZINC000471821133 339355291 /nfs/dbraw/zinc/35/52/91/339355291.db2.gz KDLJYBFXCWOJOU-UHFFFAOYSA-N 0 3 311.853 3.936 20 30 DHEDHN C=C(C)CN(Cc1ccccc1)C(=O)NCCN(C)CCCC ZINC000471924381 339357634 /nfs/dbraw/zinc/35/76/34/339357634.db2.gz UABHMNBYLOMCJN-UHFFFAOYSA-N 0 3 317.477 3.506 20 30 DHEDHN C=CCCCCNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000472073735 339362565 /nfs/dbraw/zinc/36/25/65/339362565.db2.gz OAGHQUBDLUOFEH-UHFFFAOYSA-N 0 3 316.426 3.985 20 30 DHEDHN C=CCC[C@@H](O)CN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000472775600 339377268 /nfs/dbraw/zinc/37/72/68/339377268.db2.gz QCDLHNRVASPFCZ-OAHLLOKOSA-N 0 3 313.363 3.997 20 30 DHEDHN C=CCC[C@H](O)CN(CC)Cc1cccc(Br)c1 ZINC000472774427 339377435 /nfs/dbraw/zinc/37/74/35/339377435.db2.gz PTPVQTYAJBSBGU-HNNXBMFYSA-N 0 3 312.251 3.598 20 30 DHEDHN C=CCCCCNCc1cc(O)c(OC)cc1Br ZINC000473068488 339380908 /nfs/dbraw/zinc/38/09/08/339380908.db2.gz ABDXUYGPLOVTPL-UHFFFAOYSA-N 0 3 314.223 3.609 20 30 DHEDHN C[C@@H](NC[C@](C)(O)C1CCCCC1)c1ccc(C#N)cc1F ZINC000477869485 339503432 /nfs/dbraw/zinc/50/34/32/339503432.db2.gz ZPRZHLLJZQLHSL-ACJLOTCBSA-N 0 3 304.409 3.679 20 30 DHEDHN COc1cccc(C2CCN(CC#Cc3ccccc3)CC2)c1 ZINC000483563597 339668854 /nfs/dbraw/zinc/66/88/54/339668854.db2.gz RFFWBTLRLBXGPP-UHFFFAOYSA-N 0 3 305.421 3.926 20 30 DHEDHN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccc(C(C)C)cc2)C1=O ZINC000499584179 340040059 /nfs/dbraw/zinc/04/00/59/340040059.db2.gz REZKMNWRMYCCNK-RBUKOAKNSA-N 0 3 312.457 3.734 20 30 DHEDHN C=CCN1CC[C@H](NC(C)(C)c2ccc(C(C)(C)C)cc2)C1=O ZINC000499602422 340040604 /nfs/dbraw/zinc/04/06/04/340040604.db2.gz MRMDRNJHENDOJQ-KRWDZBQOSA-N 0 3 314.473 3.596 20 30 DHEDHN C=CCN1CC[C@H](N[C@@H](c2cccs2)C(CC)CC)C1=O ZINC000499602096 340040629 /nfs/dbraw/zinc/04/06/29/340040629.db2.gz JIFMQEGGPHNOIK-GOEBONIOSA-N 0 3 306.475 3.602 20 30 DHEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@@H](C)CC)C1=O ZINC000499608217 340040829 /nfs/dbraw/zinc/04/08/29/340040829.db2.gz UQGGSWAVSAQZAB-RRQGHBQHSA-N 0 3 320.864 3.804 20 30 DHEDHN COc1ccccc1C[C@H](C)N(C)Cc1ccc(C#N)cc1OC ZINC000501207687 340076209 /nfs/dbraw/zinc/07/62/09/340076209.db2.gz HRXNGURWBQKGJM-HNNXBMFYSA-N 0 3 324.424 3.638 20 30 DHEDHN N#Cc1cccc(OCCCN2CCc3cccc(F)c3C2)c1 ZINC000502503581 340106102 /nfs/dbraw/zinc/10/61/02/340106102.db2.gz FLCIVYCQBIDXFM-UHFFFAOYSA-N 0 3 310.372 3.525 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccccc1C)C(C)C ZINC000503412393 340127732 /nfs/dbraw/zinc/12/77/32/340127732.db2.gz UKZKIBWCEUWUMC-GOSISDBHSA-N 0 3 315.461 3.815 20 30 DHEDHN N#Cc1cccc(OCCN2CC[C@@H](c3ccccc3F)C2)c1 ZINC000503594752 340132059 /nfs/dbraw/zinc/13/20/59/340132059.db2.gz RERCESNRUKTUFH-MRXNPFEDSA-N 0 3 310.372 3.566 20 30 DHEDHN C=CCCc1ccccc1NC(=O)NCCN1CCCC[C@H]1C ZINC000505023549 340159140 /nfs/dbraw/zinc/15/91/40/340159140.db2.gz MRARMIHEJZLNDB-MRXNPFEDSA-N 0 3 315.461 3.801 20 30 DHEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(Cl)cc2)sc1C ZINC000505407667 340167798 /nfs/dbraw/zinc/16/77/98/340167798.db2.gz GQBFARBNKIQWLB-LBPRGKRZSA-N 0 3 305.790 3.659 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510552923 340302640 /nfs/dbraw/zinc/30/26/40/340302640.db2.gz QYENTWUTRGUDGC-LZLYRXPVSA-N 0 3 302.462 3.705 20 30 DHEDHN C=CCN1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510763544 340310309 /nfs/dbraw/zinc/31/03/09/340310309.db2.gz NHJCINPVNOKRFY-HNNXBMFYSA-N 0 3 303.450 3.948 20 30 DHEDHN C=CCN(CC(=O)N[C@@H](C)c1ccccc1)CC1CCCCC1 ZINC000303423950 340325105 /nfs/dbraw/zinc/32/51/05/340325105.db2.gz BKSTXCSCPJDADI-KRWDZBQOSA-N 0 3 314.473 3.932 20 30 DHEDHN C=CCOc1ccc(CN(C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000511666085 340334511 /nfs/dbraw/zinc/33/45/11/340334511.db2.gz TYIJSAGEXNYWGC-NRFANRHFSA-N 0 3 323.436 3.997 20 30 DHEDHN C=CCOc1cccc(CN(C)C[C@@H]2OCCc3ccccc32)c1 ZINC000511671868 340334747 /nfs/dbraw/zinc/33/47/47/340334747.db2.gz PAPTXUPJSIPLBU-NRFANRHFSA-N 0 3 323.436 3.997 20 30 DHEDHN N#Cc1cccc(OCCN(CCc2cccc(F)c2)C2CC2)c1 ZINC000303610735 340337746 /nfs/dbraw/zinc/33/77/46/340337746.db2.gz OMYCTJZFSDWZGF-UHFFFAOYSA-N 0 3 324.399 3.783 20 30 DHEDHN COc1ccc(CCN[C@H](C)c2ccc(C#N)cc2F)cc1F ZINC000512610517 340369001 /nfs/dbraw/zinc/36/90/01/340369001.db2.gz BUSBAIKJTQPYGQ-GFCCVEGCSA-N 0 3 316.351 3.738 20 30 DHEDHN COc1ccc(CCN[C@@H](C)c2ccc(C#N)cc2F)cc1F ZINC000512610518 340369003 /nfs/dbraw/zinc/36/90/03/340369003.db2.gz BUSBAIKJTQPYGQ-LBPRGKRZSA-N 0 3 316.351 3.738 20 30 DHEDHN C[C@H](NCCN1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512666198 340372028 /nfs/dbraw/zinc/37/20/28/340372028.db2.gz JFCKDTJZWSOXEA-ZNMIVQPWSA-N 0 3 303.425 3.611 20 30 DHEDHN COc1ccccc1C[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000512677417 340372623 /nfs/dbraw/zinc/37/26/23/340372623.db2.gz IVULFLTVLOCBLU-SFHVURJKSA-N 0 3 324.399 3.913 20 30 DHEDHN C=CCC[C@@H](NCCc1ccc2c(c1)OCCO2)c1ccco1 ZINC000513666749 340418196 /nfs/dbraw/zinc/41/81/96/340418196.db2.gz NQHLHYKIPWUEDD-MRXNPFEDSA-N 0 3 313.397 3.890 20 30 DHEDHN C[C@@H](NCC#Cc1ccccc1)c1ccccc1-n1cccn1 ZINC000177351120 340439528 /nfs/dbraw/zinc/43/95/28/340439528.db2.gz AYCBQDMODMPQHP-QGZVFWFLSA-N 0 3 301.393 3.575 20 30 DHEDHN Clc1ccc([C@@H]2OCC[C@@H]2NCC#Cc2ccccc2)cc1 ZINC000192022161 340560979 /nfs/dbraw/zinc/56/09/79/340560979.db2.gz DOYHCIZGTAQWLG-OALUTQOASA-N 0 3 311.812 3.811 20 30 DHEDHN N#Cc1ccc(OCCN[C@@H]2CSCCc3ccccc32)cc1 ZINC000537983271 340795463 /nfs/dbraw/zinc/79/54/63/340795463.db2.gz DXSVMZYRMXBJJV-LJQANCHMSA-N 0 3 324.449 3.557 20 30 DHEDHN C=CCCOCCN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000539052795 340867966 /nfs/dbraw/zinc/86/79/66/340867966.db2.gz NIPYKRIZMPTWBY-OAHLLOKOSA-N 0 3 315.335 3.755 20 30 DHEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000539510365 340888681 /nfs/dbraw/zinc/88/86/81/340888681.db2.gz YGDGHWPJBYEHLS-UONOGXRCSA-N 0 3 303.402 3.667 20 30 DHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1F ZINC000539610334 340892574 /nfs/dbraw/zinc/89/25/74/340892574.db2.gz WJOSVRZUJYXMLV-STQMWFEESA-N 0 3 316.351 3.955 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cccc(OCC)c1 ZINC000068839360 340935502 /nfs/dbraw/zinc/93/55/02/340935502.db2.gz WRCKYMOCJFCGFG-JKSUJKDBSA-N 0 3 318.461 3.549 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1ccc([N+](=O)[O-])cc1C ZINC000542696074 341017533 /nfs/dbraw/zinc/01/75/33/341017533.db2.gz JCGFFPHYZDJQMG-UHFFFAOYSA-N 0 3 300.358 3.727 20 30 DHEDHN CC[C@@H](c1ccccc1)N1CCN(c2ccccc2C#N)CC1 ZINC000072073558 341060896 /nfs/dbraw/zinc/06/08/96/341060896.db2.gz RQKXTKQQDXWQHW-IBGZPJMESA-N 0 3 305.425 3.832 20 30 DHEDHN N#CCc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000544142884 341072045 /nfs/dbraw/zinc/07/20/45/341072045.db2.gz DFRRGZYIVBJCAH-SFHVURJKSA-N 0 3 320.392 3.818 20 30 DHEDHN Cc1cccc(C)c1[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000544893692 341097541 /nfs/dbraw/zinc/09/75/41/341097541.db2.gz ICNMXDRSBQJCSJ-HOTGVXAUSA-N 0 3 321.424 3.853 20 30 DHEDHN Cc1cccc(C)c1[C@@H](C)N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000545519876 341128324 /nfs/dbraw/zinc/12/83/24/341128324.db2.gz ZUVLGTVFRVZOMO-HZPDHXFCSA-N 0 3 321.424 3.853 20 30 DHEDHN CC[C@@H](CCc1ccc(Br)cc1)NC[C@H](C)C#N ZINC000133032899 341152382 /nfs/dbraw/zinc/15/23/82/341152382.db2.gz HMWUJJAJPXGJKR-DOMZBBRYSA-N 0 3 309.251 3.910 20 30 DHEDHN CC[C@@H]1CN(CCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000546104354 341154018 /nfs/dbraw/zinc/15/40/18/341154018.db2.gz IVPHASQIRCPTEU-LJQANCHMSA-N 0 3 313.489 3.913 20 30 DHEDHN Cc1cccc(C)c1[C@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000546225372 341157720 /nfs/dbraw/zinc/15/77/20/341157720.db2.gz HMACELSPXBJCSD-INIZCTEOSA-N 0 3 321.424 3.855 20 30 DHEDHN C=CCCOCCN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133672149 341181318 /nfs/dbraw/zinc/18/13/18/341181318.db2.gz QEMYIEOZQCFCAL-AWEZNQCLSA-N 0 3 314.351 3.660 20 30 DHEDHN COc1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)cc1C#N ZINC000135213590 341233375 /nfs/dbraw/zinc/23/33/75/341233375.db2.gz XZZOHFKDPNKJAI-LJQANCHMSA-N 0 3 321.424 3.643 20 30 DHEDHN CC(C)c1ccc(CN2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000549346183 341291990 /nfs/dbraw/zinc/29/19/90/341291990.db2.gz VTJHBEKUHVJYDG-UYAOXDASSA-N 0 3 311.473 3.620 20 30 DHEDHN C=CCOCCNC1(c2ccc(Br)cc2)CCC1 ZINC000549899542 341306087 /nfs/dbraw/zinc/30/60/87/341306087.db2.gz TURLEKFOLHKQAQ-UHFFFAOYSA-N 0 3 310.235 3.621 20 30 DHEDHN CCc1ccc(C(C)(C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000551559338 341345455 /nfs/dbraw/zinc/34/54/55/341345455.db2.gz NEFFBQCVGPTTRN-UHFFFAOYSA-N 0 3 318.424 3.793 20 30 DHEDHN C=CC[C@H]1N(Cc2cnc3ccc(C#N)cn23)CCCC1(C)C ZINC000551820914 341353004 /nfs/dbraw/zinc/35/30/04/341353004.db2.gz FFUIZVNHILAXDP-QGZVFWFLSA-N 0 3 308.429 3.773 20 30 DHEDHN CC[C@@](C)(C#N)c1nc(-c2ccccc2CN2CCCCC2)no1 ZINC000551994820 341358375 /nfs/dbraw/zinc/35/83/75/341358375.db2.gz OUXRIXOWVYUNNI-IBGZPJMESA-N 0 3 324.428 3.914 20 30 DHEDHN Cc1cc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc(C#N)n1 ZINC000553152239 341417921 /nfs/dbraw/zinc/41/79/21/341417921.db2.gz HDNPDWJNRYCFEO-KRWDZBQOSA-N 0 3 314.820 3.630 20 30 DHEDHN COc1cc(CN[C@@H](C)c2ccc3c(c2)CCC3)ccc1C#N ZINC000566039513 341546181 /nfs/dbraw/zinc/54/61/81/341546181.db2.gz UPTFJLXCVWGVSA-AWEZNQCLSA-N 0 3 306.409 3.906 20 30 DHEDHN C=CCOc1ccc(CN2CCC(CCC#N)CC2)cc1OC ZINC000566247292 341551888 /nfs/dbraw/zinc/55/18/88/341551888.db2.gz KYDCMJNXBROPFC-UHFFFAOYSA-N 0 3 314.429 3.776 20 30 DHEDHN C=C[C@H](CC(=O)Nc1ccc2c(c1)CNCC2)c1ccccc1 ZINC000574043085 341746820 /nfs/dbraw/zinc/74/68/20/341746820.db2.gz HNIAVSFTIODPBX-OAHLLOKOSA-N 0 3 306.409 3.631 20 30 DHEDHN CCc1nc2c(s1)[C@H](NCc1ccc(CC#N)cc1)CCC2 ZINC000575802781 341805449 /nfs/dbraw/zinc/80/54/49/341805449.db2.gz RHAWUFOAPPTQLZ-OAHLLOKOSA-N 0 3 311.454 3.939 20 30 DHEDHN CC[C@@H](CC#N)NCCCOc1cccc(C(F)(F)F)c1 ZINC000576289553 341838611 /nfs/dbraw/zinc/83/86/11/341838611.db2.gz IIQHJKSCEWNENM-ZDUSSCGKSA-N 0 3 300.324 3.756 20 30 DHEDHN CCc1ccc([C@@H](CNCc2cc(C#N)cs2)N(C)C)cc1 ZINC000177680144 341923391 /nfs/dbraw/zinc/92/33/91/341923391.db2.gz ZMOPVQBEWAZREP-GOSISDBHSA-N 0 3 313.470 3.575 20 30 DHEDHN COc1cc(C)c([C@H](C)NCc2cc(C#N)cs2)cc1OC ZINC000177685282 341923780 /nfs/dbraw/zinc/92/37/80/341923780.db2.gz WUSPQLNVHMZHGD-LBPRGKRZSA-N 0 3 316.426 3.796 20 30 DHEDHN C=CCOc1ccc(CN[C@@H]2CCCC(F)(F)C2)cc1OC ZINC000531759496 517334793 /nfs/dbraw/zinc/33/47/93/517334793.db2.gz WWPDEGDZAIOCJW-CQSZACIVSA-N 0 3 311.372 3.928 20 30 DHEDHN CC(C)(C)OC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000156708129 518868368 /nfs/dbraw/zinc/86/83/68/518868368.db2.gz YFKJLBAOQKAUOB-UHFFFAOYSA-N 0 3 316.445 3.607 20 30 DHEDHN CC[C@H](NCc1ccccc1-n1ccnc1)c1ccc(C#N)cc1 ZINC000364800828 522655415 /nfs/dbraw/zinc/65/54/15/522655415.db2.gz UGMDPLROIYAWRS-IBGZPJMESA-N 0 3 316.408 3.985 20 30 DHEDHN CC[C@@](C)(NCCCOc1cccc(C#N)c1)c1nccs1 ZINC000128545094 523657655 /nfs/dbraw/zinc/65/76/55/523657655.db2.gz CCJGSXRRUOHOPW-QGZVFWFLSA-N 0 3 315.442 3.699 20 30 DHEDHN COc1ccc(CNCc2cccc(CSC)c2)cc1C#N ZINC000189490124 524072789 /nfs/dbraw/zinc/07/27/89/524072789.db2.gz ONXVEHYEOQTVCH-UHFFFAOYSA-N 0 3 312.438 3.720 20 30 DHEDHN COc1ccccc1O[C@H](C)CN[C@H](C)c1cccc(C#N)c1 ZINC000181831750 524691701 /nfs/dbraw/zinc/69/17/01/524691701.db2.gz ZWOGFGLQJQWMNG-HUUCEWRRSA-N 0 3 310.397 3.685 20 30 DHEDHN COc1ccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1C ZINC000364830556 525415213 /nfs/dbraw/zinc/41/52/13/525415213.db2.gz NMXQDCSFBAFQEW-GOSISDBHSA-N 0 3 309.413 3.551 20 30 DHEDHN C[C@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(C#N)cc1 ZINC000181524086 525472078 /nfs/dbraw/zinc/47/20/78/525472078.db2.gz PQIINWOZSOWFCH-INIZCTEOSA-N 0 3 320.440 3.794 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)C[C@H]1OCCc2ccccc21 ZINC000265231597 526035666 /nfs/dbraw/zinc/03/56/66/526035666.db2.gz QSXRCVMMHATBPV-MGPUTAFESA-N 0 3 306.409 3.865 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156745783 526035920 /nfs/dbraw/zinc/03/59/20/526035920.db2.gz BFZHHCVIOJXWSV-YOEHRIQHSA-N 0 3 314.429 3.673 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000338326889 526073749 /nfs/dbraw/zinc/07/37/49/526073749.db2.gz BPUHNLYUUPKZDR-UTKZUKDTSA-N 0 3 320.436 3.645 20 30 DHEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]2CCCC[C@H]21 ZINC000249112583 526741672 /nfs/dbraw/zinc/74/16/72/526741672.db2.gz ODTSYAVYIRMXHK-MAUKXSAKSA-N 0 3 311.429 3.541 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)s1)c1ccc(OC)c(OC)c1 ZINC000285379764 535915654 /nfs/dbraw/zinc/91/56/54/535915654.db2.gz CTCKBRWEARKVAX-HNNXBMFYSA-N 0 3 316.426 3.878 20 30 DHEDHN COc1cc(CNc2ccc(C)cc2CN(C)C)ccc1C#N ZINC000281740966 536815175 /nfs/dbraw/zinc/81/51/75/536815175.db2.gz QLYBYTOQCQERRG-UHFFFAOYSA-N 0 3 309.413 3.549 20 30 DHEDHN C=CCCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823894296 946503438 /nfs/dbraw/zinc/50/34/38/946503438.db2.gz MRKWZWGRVWAOSK-CXAGYDPISA-N 0 3 311.433 3.579 20 30 DHEDHN C=CCCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823894296 946503452 /nfs/dbraw/zinc/50/34/52/946503452.db2.gz MRKWZWGRVWAOSK-CXAGYDPISA-N 0 3 311.433 3.579 20 30 DHEDHN C=CCCC[C@H](C)[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823894298 946504379 /nfs/dbraw/zinc/50/43/79/946504379.db2.gz MRKWZWGRVWAOSK-GUYCJALGSA-N 0 3 311.433 3.579 20 30 DHEDHN C=CCCC[C@H](C)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823894298 946504385 /nfs/dbraw/zinc/50/43/85/946504385.db2.gz MRKWZWGRVWAOSK-GUYCJALGSA-N 0 3 311.433 3.579 20 30 DHEDHN Clc1ccc(C#CCN2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000426450050 1013235193 /nfs/dbraw/zinc/23/51/93/1013235193.db2.gz WKAXVYZGTCIHHP-GOSISDBHSA-N 0 3 303.833 3.584 20 30 DHEDHN CC[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(C)cc1 ZINC000340155006 1013369385 /nfs/dbraw/zinc/36/93/85/1013369385.db2.gz NUKYXRKGNZVLKJ-BEFAXECRSA-N 0 3 321.424 3.935 20 30 DHEDHN N#CCCC[C@@H](NCc1cn2ccnc2s1)c1ccccc1 ZINC000894607708 1013430054 /nfs/dbraw/zinc/43/00/54/1013430054.db2.gz VYPSNVAOFJFALE-MRXNPFEDSA-N 0 3 310.426 3.921 20 30 DHEDHN C[C@H](NC[C@]1(C)CC1(Cl)Cl)c1ccc(C#N)cc1F ZINC000828791003 1013960801 /nfs/dbraw/zinc/96/08/01/1013960801.db2.gz NZNKUULSBHZNOP-ZANVPECISA-N 0 3 301.192 3.932 20 30 DHEDHN N#Cc1csc(CNC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000177680655 1013962220 /nfs/dbraw/zinc/96/22/20/1013962220.db2.gz NHLMNXZCVGXLJT-INIZCTEOSA-N 0 3 315.442 3.530 20 30 DHEDHN CCCCCCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC001167416860 1014201996 /nfs/dbraw/zinc/20/19/96/1014201996.db2.gz OEQGFVBTODUCPW-UHFFFAOYSA-N 0 3 309.885 3.823 20 30 DHEDHN Cc1ccsc1[C@H](CO)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614577917 1014315965 /nfs/dbraw/zinc/31/59/65/1014315965.db2.gz QJABFHZQPPQWHJ-INIZCTEOSA-N 0 3 314.454 3.681 20 30 DHEDHN CC(C)C[C@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441522986 1014317616 /nfs/dbraw/zinc/31/76/16/1014317616.db2.gz KYVHQGVHFXSPBF-MRXNPFEDSA-N 0 3 310.401 3.619 20 30 DHEDHN CCN(CC)[C@H](C/N=C/c1ccccc1O)c1ccsc1 ZINC000075474315 1014511602 /nfs/dbraw/zinc/51/16/02/1014511602.db2.gz RHNLINNBPINYRO-YCPFAOKUSA-N 0 3 302.443 3.956 20 30 DHEDHN COc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(OC2CCCC2)c1 ZINC000442773219 1014729174 /nfs/dbraw/zinc/72/91/74/1014729174.db2.gz WVQXIOOFEPLAFW-ZBFHGGJFSA-N 0 3 314.429 3.798 20 30 DHEDHN COc1cc(CN2CCC[C@@H](Nc3ccccc3)C2)ccc1C#N ZINC000442888730 1014762005 /nfs/dbraw/zinc/76/20/05/1014762005.db2.gz HKDRHQJDQDXYHC-LJQANCHMSA-N 0 3 321.424 3.643 20 30 DHEDHN N#CC(C(=O)c1coc2ccccc12)c1nc2ccccc2[nH]1 ZINC000113650892 1014881127 /nfs/dbraw/zinc/88/11/27/1014881127.db2.gz XXDIQTZHZAQHFH-LBPRGKRZSA-N 0 3 301.305 3.799 20 30 DHEDHN C=CCC1(O)CCN(Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000895828284 1015313812 /nfs/dbraw/zinc/31/38/12/1015313812.db2.gz UXLYDVLUEHCWGX-UHFFFAOYSA-N 0 3 303.446 3.767 20 30 DHEDHN C=CCC1(O)CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000895836011 1015327381 /nfs/dbraw/zinc/32/73/81/1015327381.db2.gz URUKFOKDEDKJES-UHFFFAOYSA-N 0 3 323.436 3.962 20 30 DHEDHN N#CCC[C@@H](C#N)CNCCCO[C@@H]1CCCc2ccccc21 ZINC000581880043 1015414521 /nfs/dbraw/zinc/41/45/21/1015414521.db2.gz MZXQXBIGDSUYRH-QFBILLFUSA-N 0 3 311.429 3.504 20 30 DHEDHN C=CCN(CCC(=O)Nc1ccccc1F)Cc1cccs1 ZINC000054427182 1015499794 /nfs/dbraw/zinc/49/97/94/1015499794.db2.gz VXSZDBOTNOFJCL-UHFFFAOYSA-N 0 3 318.417 3.904 20 30 DHEDHN C=C(CNCc1ccnn1-c1ccccc1C)c1ccccc1 ZINC000474618203 1015503672 /nfs/dbraw/zinc/50/36/72/1015503672.db2.gz YGLFYYFEQALLPA-UHFFFAOYSA-N 0 3 303.409 3.984 20 30 DHEDHN COCC[C@@H](c1ccccc1)N(C)Cc1cc(C#N)cs1 ZINC000933773120 1015662319 /nfs/dbraw/zinc/66/23/19/1015662319.db2.gz CUYRDOYDCKVCQG-KRWDZBQOSA-N 0 3 300.427 3.829 20 30 DHEDHN CC(=O)Nc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341757058 1015723997 /nfs/dbraw/zinc/72/39/97/1015723997.db2.gz HLLXYKRJKXMIGL-HXUWFJFHSA-N 0 3 319.408 3.684 20 30 DHEDHN COc1ccccc1[C@@H](C/N=C/c1ccccc1O)N1CCCC1 ZINC000022769475 1015817486 /nfs/dbraw/zinc/81/74/86/1015817486.db2.gz VHLWQKXVAAULHU-ALDSOSFCSA-N 0 3 324.424 3.657 20 30 DHEDHN N#Cc1cc(CN2CC[C@H](CSc3ccccc3)C2)ccn1 ZINC000610993730 1015998259 /nfs/dbraw/zinc/99/82/59/1015998259.db2.gz FJWTXAMMHGPRIS-INIZCTEOSA-N 0 3 309.438 3.567 20 30 DHEDHN C=CCOCCCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342155395 1016087396 /nfs/dbraw/zinc/08/73/96/1016087396.db2.gz DOWWMZGFIJFDPO-IBGZPJMESA-N 0 3 301.430 3.550 20 30 DHEDHN CC(C)[C@H]1CCN(Cc2ccc(C#N)cc2Br)C1 ZINC000481075797 1034572818 /nfs/dbraw/zinc/57/28/18/1034572818.db2.gz OGMUBHLDGPDQGB-ZDUSSCGKSA-N 0 3 307.235 3.799 20 30 DHEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCSC3(CCC3)C2)c1 ZINC000896952713 1016957853 /nfs/dbraw/zinc/95/78/53/1016957853.db2.gz ZSQSFTBBXBWRSA-CYBMUJFWSA-N 0 3 307.850 3.515 20 30 DHEDHN CC(C)C1(c2ccccc2)CN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000840776013 1016965718 /nfs/dbraw/zinc/96/57/18/1016965718.db2.gz JAYBLEILVAHUMB-FQEVSTJZSA-N 0 3 320.436 3.501 20 30 DHEDHN N#CC(C(=O)c1cc2c(s1)CCCC2)c1nc2ccccc2[nH]1 ZINC000046706198 1032179774 /nfs/dbraw/zinc/17/97/74/1032179774.db2.gz OXIFVTHMWWYNQV-LBPRGKRZSA-N 0 3 321.405 3.993 20 30 DHEDHN C=CCNC(=O)CN[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000539291200 1033313986 /nfs/dbraw/zinc/31/39/86/1033313986.db2.gz UTXAJTHSKMAFFD-OAHLLOKOSA-N 0 3 308.853 3.709 20 30 DHEDHN C#CCOc1ccccc1CN[C@H](CC)c1cccc(OC)c1 ZINC000772986136 1032366844 /nfs/dbraw/zinc/36/68/44/1032366844.db2.gz AFHOGMQOVLWSTI-LJQANCHMSA-N 0 3 309.409 3.948 20 30 DHEDHN C=CC1CCN([C@@H](C)C(=O)N[C@@H](CCC)c2ccccc2)CC1 ZINC000348170114 1032487955 /nfs/dbraw/zinc/48/79/55/1032487955.db2.gz QOUFPSUCYHVIHS-LPHOPBHVSA-N 0 3 314.473 3.931 20 30 DHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC(C)(C)CCC#N ZINC000092646431 1032506489 /nfs/dbraw/zinc/50/64/89/1032506489.db2.gz VGUBGCIUYCNBMR-UHFFFAOYSA-N 0 3 301.390 3.913 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000093482108 1032540116 /nfs/dbraw/zinc/54/01/16/1032540116.db2.gz QNPDKXYSUVCKBP-DZGCQCFKSA-N 0 3 309.837 3.640 20 30 DHEDHN C#CC[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000773117896 1032563433 /nfs/dbraw/zinc/56/34/33/1032563433.db2.gz YESCJATZVNGAQF-JXFKEZNVSA-N 0 3 316.408 3.683 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H](c2cccnc2)C2CC2)cc1 ZINC000773118378 1032564222 /nfs/dbraw/zinc/56/42/22/1032564222.db2.gz LQHYOWCOSAMXOQ-YWZLYKJASA-N 0 3 306.409 3.896 20 30 DHEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000424101844 1011897361 /nfs/dbraw/zinc/89/73/61/1011897361.db2.gz KLNPURQVBRZXMR-RBUKOAKNSA-N 0 3 321.424 3.524 20 30 DHEDHN CCOc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(Cl)c1OC ZINC000424187205 1011936851 /nfs/dbraw/zinc/93/68/51/1011936851.db2.gz AMAGYFDGZXBRPK-WCQYABFASA-N 0 3 308.809 3.529 20 30 DHEDHN Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424199195 1011940683 /nfs/dbraw/zinc/94/06/83/1011940683.db2.gz QCJUEKWNYPUCPE-XJKSGUPXSA-N 0 3 314.820 3.616 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000424705099 1012108606 /nfs/dbraw/zinc/10/86/06/1012108606.db2.gz XYAXLBLTDXMAKZ-QGZVFWFLSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCN(Cc1ccccc1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000186904263 1012296597 /nfs/dbraw/zinc/29/65/97/1012296597.db2.gz JYFKOGJVVJDBBB-UHFFFAOYSA-N 0 3 320.436 3.784 20 30 DHEDHN CC(C)(C)OCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000796816922 1012352418 /nfs/dbraw/zinc/35/24/18/1012352418.db2.gz LGBCAESOLXRQNN-LBPRGKRZSA-N 0 3 300.358 3.599 20 30 DHEDHN N#Cc1c(CN2CC[C@H](Cc3ccccc3)C2)cn2ccccc12 ZINC000610215041 1012415897 /nfs/dbraw/zinc/41/58/97/1012415897.db2.gz ZFPREUVOJCFBLW-GOSISDBHSA-N 0 3 315.420 3.876 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccc(F)cc3)C2)s1 ZINC000126955605 1012496739 /nfs/dbraw/zinc/49/67/39/1012496739.db2.gz JPPRGAXJHYSXFC-CQSZACIVSA-N 0 3 300.402 3.823 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)c1ccc(F)cc1 ZINC000425531558 1012732752 /nfs/dbraw/zinc/73/27/52/1012732752.db2.gz HRMJFXOJZDUNMU-CQSZACIVSA-N 0 3 310.372 3.963 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOCCOc1ccccc1 ZINC000425536117 1012735439 /nfs/dbraw/zinc/73/54/39/1012735439.db2.gz OGTDBCCJGRBHNK-QGZVFWFLSA-N 0 3 324.424 3.647 20 30 DHEDHN C=CCC[C@@H](NCC(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000180045937 1017359868 /nfs/dbraw/zinc/35/98/68/1017359868.db2.gz CCNHMHVIDYEKJA-LJQANCHMSA-N 0 3 324.424 3.931 20 30 DHEDHN N#CC(C(=O)C=Cc1nc2ccccc2s1)c1ccccn1 ZINC000255542307 1017515645 /nfs/dbraw/zinc/51/56/45/1017515645.db2.gz BJHYRAGMFJEXPP-LAUAKBEESA-N 0 3 305.362 3.581 20 30 DHEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCCO1 ZINC000623918049 1017587165 /nfs/dbraw/zinc/58/71/65/1017587165.db2.gz GCCXGJJBQKBXMQ-CJNGLKHVSA-N 0 3 311.347 3.604 20 30 DHEDHN COC(=O)c1ccc2c(c1)CN(CCCCC(C)(C)C#N)CC2 ZINC000444682931 1017629328 /nfs/dbraw/zinc/62/93/28/1017629328.db2.gz BZLSKGUPAIKNFS-UHFFFAOYSA-N 0 3 314.429 3.551 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@H](CCC(C)C)C(C)(C)C)CC1 ZINC000523775828 1017789224 /nfs/dbraw/zinc/78/92/24/1017789224.db2.gz DWLGIPUMCZMGFO-QGZVFWFLSA-N 0 3 323.525 3.787 20 30 DHEDHN CC[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000182277696 1017886822 /nfs/dbraw/zinc/88/68/22/1017886822.db2.gz SAXAHFRPMJGYEX-CVEARBPZSA-N 0 3 311.347 3.604 20 30 DHEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001626102687 1018031082 /nfs/dbraw/zinc/03/10/82/1018031082.db2.gz QNOKIUAKJPRGSI-HKUYNNGSSA-N 0 3 314.473 3.850 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1c(C)cccc1C ZINC000524592552 1018038298 /nfs/dbraw/zinc/03/82/98/1018038298.db2.gz ODXBDGAWTJPATI-UHFFFAOYSA-N 0 3 308.425 3.824 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000150746531 1018042058 /nfs/dbraw/zinc/04/20/58/1018042058.db2.gz JKJHMRCUUFOZLI-SJLPKXTDSA-N 0 3 321.509 3.637 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000487521087 1018144384 /nfs/dbraw/zinc/14/43/84/1018144384.db2.gz UYGZUKCOXNJATG-AWEZNQCLSA-N 0 3 308.381 3.522 20 30 DHEDHN N#CC(C(=O)c1ccc(C2CC2)cn1)c1ccc2ccccc2n1 ZINC000674895031 1018186531 /nfs/dbraw/zinc/18/65/31/1018186531.db2.gz WCEOWYXFFVYKCK-MRXNPFEDSA-N 0 3 313.360 3.997 20 30 DHEDHN CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000174430016 1018428880 /nfs/dbraw/zinc/42/88/80/1018428880.db2.gz XWDGYTUGGBAGEP-CQSZACIVSA-N 0 3 310.397 3.816 20 30 DHEDHN C=CCCCCCN(C)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000447999066 1018513948 /nfs/dbraw/zinc/51/39/48/1018513948.db2.gz IVNVATWKEHUJDM-QGZVFWFLSA-N 0 3 314.473 3.638 20 30 DHEDHN COc1ccc2c(c1)nccc2NCc1ccc(OCC#N)cc1 ZINC000765490210 1018813479 /nfs/dbraw/zinc/81/34/79/1018813479.db2.gz JRUQFAPJVGFOGM-UHFFFAOYSA-N 0 3 319.364 3.758 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(Br)cc2F)C1 ZINC000765927555 1018833206 /nfs/dbraw/zinc/83/32/06/1018833206.db2.gz VGDRXFPWIMEIOX-GWCFXTLKSA-N 0 3 311.198 3.760 20 30 DHEDHN N#Cc1c(CN2CC[C@@H](c3ccccc3)C2)cn2ccccc12 ZINC000477303246 1032803621 /nfs/dbraw/zinc/80/36/21/1032803621.db2.gz UQKOMDSDZMJVKF-QGZVFWFLSA-N 0 3 301.393 3.800 20 30 DHEDHN N#Cc1c(CN2CC[C@H](c3ccccc3)C2)cn2ccccc12 ZINC000477303237 1032805417 /nfs/dbraw/zinc/80/54/17/1032805417.db2.gz UQKOMDSDZMJVKF-KRWDZBQOSA-N 0 3 301.393 3.800 20 30 DHEDHN C=CCCN(CCOC)Cc1ccc(Br)s1 ZINC000338542848 1019166234 /nfs/dbraw/zinc/16/62/34/1019166234.db2.gz GUOGUOZUXUDGBJ-UHFFFAOYSA-N 0 3 304.253 3.535 20 30 DHEDHN C[C@H]1CN(Cc2ccc(C#N)s2)CCc2ccc(F)cc21 ZINC001171670436 1032821488 /nfs/dbraw/zinc/82/14/88/1032821488.db2.gz GEJXOGCAXBGYOP-LBPRGKRZSA-N 0 3 300.402 3.921 20 30 DHEDHN C[C@@H]1Cc2cc(CN[C@@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000922072665 1019402398 /nfs/dbraw/zinc/40/23/98/1019402398.db2.gz MYJXRZFEQBHWNN-BFUOFWGJSA-N 0 3 304.393 3.659 20 30 DHEDHN Cc1ccccc1[C@@H](CO)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393322 1019469492 /nfs/dbraw/zinc/46/94/92/1019469492.db2.gz BXLPAILTEFEGAV-VQTJNVASSA-N 0 3 306.409 3.567 20 30 DHEDHN C[C@H](NCc1ccnc(C#N)c1)c1ccc(-c2ccncc2)cc1 ZINC000611401991 1019470544 /nfs/dbraw/zinc/47/05/44/1019470544.db2.gz PONGNQYXLYCMQW-HNNXBMFYSA-N 0 3 314.392 3.866 20 30 DHEDHN C[C@H](NCCc1nc2c(s1)CCC2)c1ccc(C#N)cc1F ZINC000926932394 1032837974 /nfs/dbraw/zinc/83/79/74/1032837974.db2.gz WONUEPQRLDTAKD-NSHDSACASA-N 0 3 315.417 3.536 20 30 DHEDHN COc1ccc([C@H]2C[C@@H](NCc3ccccc3C#N)CCO2)cc1 ZINC001168590618 1019867978 /nfs/dbraw/zinc/86/79/78/1019867978.db2.gz QAYCBAGMVFAMQM-AZUAARDMSA-N 0 3 322.408 3.577 20 30 DHEDHN CC[C@@H](OCCNCc1csc(C#N)c1)c1ccccc1 ZINC000922216830 1019897171 /nfs/dbraw/zinc/89/71/71/1019897171.db2.gz YAUUVMOWQTUQLB-QGZVFWFLSA-N 0 3 300.427 3.877 20 30 DHEDHN CC1(C#N)CCN(CCc2ccc(Br)cc2)CC1 ZINC001207386444 1019911429 /nfs/dbraw/zinc/91/14/29/1019911429.db2.gz XTXJXRNALXVGLD-UHFFFAOYSA-N 0 3 307.235 3.617 20 30 DHEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(CC)cc2)CC1 ZINC000729942322 1019926162 /nfs/dbraw/zinc/92/61/62/1019926162.db2.gz JTGQMYNQGXQCMF-UHFFFAOYSA-N 0 3 317.502 3.576 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCCCCC)CC1 ZINC000730020835 1019934869 /nfs/dbraw/zinc/93/48/69/1019934869.db2.gz BJFAYVULOZLHGQ-INIZCTEOSA-N 0 3 309.498 3.685 20 30 DHEDHN CC(C)SCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420467 1019985504 /nfs/dbraw/zinc/98/55/04/1019985504.db2.gz DWDAKGZVRPNHGA-SNVBAGLBSA-N 0 3 308.403 3.753 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccoc2)cc1 ZINC000131525520 1020181261 /nfs/dbraw/zinc/18/12/61/1020181261.db2.gz JBXQMHILDJSGHF-LRDDRELGSA-N 0 3 310.353 3.754 20 30 DHEDHN CC[C@H](C)CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000732206168 1020208025 /nfs/dbraw/zinc/20/80/25/1020208025.db2.gz RMSXKMWMZORPQT-RDJZCZTQSA-N 0 3 315.461 3.608 20 30 DHEDHN C=CCOCCCN[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000658210896 1020226268 /nfs/dbraw/zinc/22/62/68/1020226268.db2.gz YFDSTMJYLDCMRU-LJQANCHMSA-N 0 3 314.404 3.801 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccc(C)c(C#N)c2)cc1 ZINC000922759812 1020252841 /nfs/dbraw/zinc/25/28/41/1020252841.db2.gz UTQQAQUUCWCZBU-UHFFFAOYSA-N 0 3 304.393 3.559 20 30 DHEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000658333955 1020305811 /nfs/dbraw/zinc/30/58/11/1020305811.db2.gz XBFRTZDWOJQLTR-VQIMIIECSA-N 0 3 311.425 3.772 20 30 DHEDHN C#CCOc1ccc(CN[C@H](CC)c2ccccc2OC)cc1 ZINC000733324197 1020371298 /nfs/dbraw/zinc/37/12/98/1020371298.db2.gz MLUYODFEXQEHSU-LJQANCHMSA-N 0 3 309.409 3.948 20 30 DHEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1O ZINC000177153928 1020476860 /nfs/dbraw/zinc/47/68/60/1020476860.db2.gz XARAPZIGQRNGGV-UHFFFAOYSA-N 0 3 319.326 3.895 20 30 DHEDHN C=CCOCCCN(Cc1cccc(C)c1)Cc1ccccn1 ZINC000348024964 1020479893 /nfs/dbraw/zinc/47/98/93/1020479893.db2.gz CTNAODUDVIRHPK-UHFFFAOYSA-N 0 3 310.441 3.985 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cc(C)co1 ZINC000892495041 1020553301 /nfs/dbraw/zinc/55/33/01/1020553301.db2.gz LCXKKNZXRIKPAP-OAHLLOKOSA-N 0 3 324.380 3.674 20 30 DHEDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(OCC#N)cc1 ZINC000780384416 1020571606 /nfs/dbraw/zinc/57/16/06/1020571606.db2.gz HZBWYGAPLPDTNF-GXTWGEPZSA-N 0 3 312.335 3.752 20 30 DHEDHN C=CC[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccncc1 ZINC000734510436 1020617250 /nfs/dbraw/zinc/61/72/50/1020617250.db2.gz VBMZRYFFGPPQOD-DNVCBOLYSA-N 0 3 307.397 3.779 20 30 DHEDHN C=CCN1CC[C@H](N[C@@H](CC2CCCC2)c2ccccc2)C1=O ZINC000337181269 1032914979 /nfs/dbraw/zinc/91/49/79/1032914979.db2.gz MKOLKAAOMGIVKM-OALUTQOASA-N 0 3 312.457 3.685 20 30 DHEDHN N#Cc1ccc(CN(CC2=Cc3ccccc3OC2)C2CC2)cc1 ZINC000180029812 1020709542 /nfs/dbraw/zinc/70/95/42/1020709542.db2.gz SMRUEVKZNZHSSX-UHFFFAOYSA-N 0 3 316.404 3.999 20 30 DHEDHN C=CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1CN(C)C ZINC000413989377 1020759162 /nfs/dbraw/zinc/75/91/62/1020759162.db2.gz QUPYTUCUVXMVTG-LJQANCHMSA-N 0 3 322.452 3.665 20 30 DHEDHN C[C@]1(c2ccccc2)C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000892552667 1020983672 /nfs/dbraw/zinc/98/36/72/1020983672.db2.gz CFKMGDXKHLQGKU-QEEYODRMSA-N 0 3 316.360 3.982 20 30 DHEDHN COc1ccc(CNCc2ccc3[nH]c(C)c(C)c3c2)cc1C#N ZINC000742367731 1021107691 /nfs/dbraw/zinc/10/76/91/1021107691.db2.gz HARGQPAGAZYDCA-UHFFFAOYSA-N 0 3 319.408 3.955 20 30 DHEDHN CCOC1CC(N(C)Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356304221 1021127001 /nfs/dbraw/zinc/12/70/01/1021127001.db2.gz PBBJVKDKBAUNLC-UHFFFAOYSA-N 0 3 312.335 3.576 20 30 DHEDHN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[C@H](C)C1 ZINC000452060319 1021131804 /nfs/dbraw/zinc/13/18/04/1021131804.db2.gz DGZUKFIHSLOWNU-ZQIUZPCESA-N 0 3 324.428 3.913 20 30 DHEDHN C#CCSCCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000181096779 1021232347 /nfs/dbraw/zinc/23/23/47/1021232347.db2.gz VRDHHNOWADWISX-ZDUSSCGKSA-N 0 3 302.468 3.827 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc3c(c2)CCCC3)cc1 ZINC001202467135 1021268806 /nfs/dbraw/zinc/26/88/06/1021268806.db2.gz VARJVVLYVIPVGG-UHFFFAOYSA-N 0 3 305.421 3.867 20 30 DHEDHN CCCCCCCC[C@@H](O)CN1CC2(C1)C[C@H](F)CS2 ZINC001252129694 1021340380 /nfs/dbraw/zinc/34/03/80/1021340380.db2.gz BIPDNRNAMFNYGW-LSDHHAIUSA-N 0 3 303.487 3.627 20 30 DHEDHN Cc1cc(CN2CCCO[C@H](c3ccccc3)C2)ccc1C#N ZINC000618593660 1021438739 /nfs/dbraw/zinc/43/87/39/1021438739.db2.gz VJLGXWCYRCXFDC-FQEVSTJZSA-N 0 3 306.409 3.830 20 30 DHEDHN C[C@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@H](C)S1 ZINC000092540618 1021440656 /nfs/dbraw/zinc/44/06/56/1021440656.db2.gz MELQRCJTIQRTOP-GJZGRUSLSA-N 0 3 304.459 3.695 20 30 DHEDHN CC(C)(C#N)c1ccc(CN[C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850373613 1021496290 /nfs/dbraw/zinc/49/62/90/1021496290.db2.gz ICKKFKMRRXNQSG-RTBURBONSA-N 0 3 306.409 3.756 20 30 DHEDHN N#CC1(c2ccc(CN[C@H]3C[C@@H](O)c4ccccc43)cc2)CC1 ZINC000850372918 1021497020 /nfs/dbraw/zinc/49/70/20/1021497020.db2.gz BEQXKDOJGIMHMT-RBUKOAKNSA-N 0 3 304.393 3.510 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(OC(F)F)c1 ZINC000618742689 1021501904 /nfs/dbraw/zinc/50/19/04/1021501904.db2.gz PCLBPGWZBVHQOJ-QGZVFWFLSA-N 0 3 314.335 3.937 20 30 DHEDHN C=CCOc1cccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742730 1021504258 /nfs/dbraw/zinc/50/42/58/1021504258.db2.gz QRUMVMWHGMKFFK-FQEVSTJZSA-N 0 3 304.393 3.900 20 30 DHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)c(F)c1 ZINC000618805639 1021531998 /nfs/dbraw/zinc/53/19/98/1021531998.db2.gz JAPKHJBFPJFYOM-BUXKBTBVSA-N 0 3 305.356 3.907 20 30 DHEDHN Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618831326 1021538942 /nfs/dbraw/zinc/53/89/42/1021538942.db2.gz KFHBWPQIRZHXNW-LJQANCHMSA-N 0 3 322.456 3.904 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@H](COC)C2)cc1Cl ZINC000093337385 1021564022 /nfs/dbraw/zinc/56/40/22/1021564022.db2.gz XDCGBWALTVUKMW-OAHLLOKOSA-N 0 3 309.837 3.763 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850530079 1021583677 /nfs/dbraw/zinc/58/36/77/1021583677.db2.gz WXYLYUNJENPRGN-GKCIPKSASA-N 0 3 307.393 3.528 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c(Cl)c1 ZINC000615229120 1021715991 /nfs/dbraw/zinc/71/59/91/1021715991.db2.gz LMGRWOSFPOXZRC-JKSUJKDBSA-N 0 3 318.848 3.850 20 30 DHEDHN N#Cc1csc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000182696438 1021770194 /nfs/dbraw/zinc/77/01/94/1021770194.db2.gz ZEGJVNZSYWRUKX-JKSUJKDBSA-N 0 3 320.364 3.518 20 30 DHEDHN N#Cc1ccccc1OCCNC1(c2cccc(Cl)c2)CC1 ZINC000538214363 1033010735 /nfs/dbraw/zinc/01/07/35/1033010735.db2.gz PXXNETXUOQSDQG-UHFFFAOYSA-N 0 3 312.800 3.869 20 30 DHEDHN N#Cc1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1Cl ZINC000619748642 1021880646 /nfs/dbraw/zinc/88/06/46/1021880646.db2.gz POMZNSNBDGFNRN-UHFFFAOYSA-N 0 3 322.799 3.687 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000152977324 1021910261 /nfs/dbraw/zinc/91/02/61/1021910261.db2.gz XAXDYBBUIXXEIL-UHFFFAOYSA-N 0 3 320.502 3.816 20 30 DHEDHN CC(C)(C)SCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000155117495 1021941904 /nfs/dbraw/zinc/94/19/04/1021941904.db2.gz IPUBIWGNBJNWFL-CQSZACIVSA-N 0 3 318.442 3.646 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc2n[nH]cc2c1 ZINC000556919246 1021947734 /nfs/dbraw/zinc/94/77/34/1021947734.db2.gz DPLXOLMARQACPV-VXGBXAGGSA-N 0 3 308.360 3.985 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2ccccc2F)o1 ZINC001202483288 1021979365 /nfs/dbraw/zinc/97/93/65/1021979365.db2.gz GPIUUWGFDSOGFS-SJORKVTESA-N 0 3 301.361 3.909 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000153195347 1022010191 /nfs/dbraw/zinc/01/01/91/1022010191.db2.gz VLZCDSSIOFFYOY-VQIMIIECSA-N 0 3 312.457 3.534 20 30 DHEDHN CCCCCCCCN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000746472472 1022124398 /nfs/dbraw/zinc/12/43/98/1022124398.db2.gz QFVXNTXAIQOAMC-CVEARBPZSA-N 0 3 303.512 3.635 20 30 DHEDHN Cc1ccc([C@@H](C)Nc2ccc(/N=C/N(C)C)c(C#N)c2)nc1 ZINC001168859128 1022154193 /nfs/dbraw/zinc/15/41/93/1022154193.db2.gz VMWSRXCYRXDMFC-STCDJXRXSA-N 0 3 307.401 3.656 20 30 DHEDHN N#CC(C(=O)c1ccoc1)c1nc2ccccc2n1C(F)F ZINC000041557681 1022173627 /nfs/dbraw/zinc/17/36/27/1022173627.db2.gz SUGQYPHCIXJBDT-JTQLQIEISA-N 0 3 301.252 3.514 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\CCc2cccs2)c([O-])c1 ZINC000920945044 1022193481 /nfs/dbraw/zinc/19/34/81/1022193481.db2.gz NTWKXWBFDMGTJK-AQTBWJFISA-N 0 3 302.443 3.962 20 30 DHEDHN C[C@]1(Br)C[C@H]1CN[C@H](CCC#N)c1ccccc1 ZINC000893195204 1022211469 /nfs/dbraw/zinc/21/14/69/1022211469.db2.gz VRMXMZCQNBLTOX-ZNMIVQPWSA-N 0 3 307.235 3.795 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000853597641 1022297445 /nfs/dbraw/zinc/29/74/45/1022297445.db2.gz CPXTUBJLNKVHHW-CALCHBBNSA-N 0 3 324.384 3.599 20 30 DHEDHN C=CCN(Cc1cc(C(=O)OC)oc1C)CC1CCCCC1 ZINC000609564420 1022300245 /nfs/dbraw/zinc/30/02/45/1022300245.db2.gz QKBBXWISXWRGCO-UHFFFAOYSA-N 0 3 305.418 3.943 20 30 DHEDHN C#CC(C)(C)N(C)Cc1ccc(Cl)c(Br)c1 ZINC001169243484 1022321850 /nfs/dbraw/zinc/32/18/50/1022321850.db2.gz QBVUAIGTFMKZJB-UHFFFAOYSA-N 0 3 300.627 3.946 20 30 DHEDHN CN(C)/C=N/c1ccc(N[C@@H](C2CCC2)C(F)(F)F)cc1C#N ZINC001169284538 1022339206 /nfs/dbraw/zinc/33/92/06/1022339206.db2.gz KLOUBMKDCWJCPU-LKKXKRCMSA-N 0 3 324.350 3.923 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC000538391776 1033047585 /nfs/dbraw/zinc/04/75/85/1033047585.db2.gz UEMZCISIJSQTLI-APWZRJJASA-N 0 3 312.457 3.625 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC000538393386 1033050359 /nfs/dbraw/zinc/05/03/59/1033050359.db2.gz WXDKVYVNMXJLDG-VQIMIIECSA-N 0 3 314.473 3.849 20 30 DHEDHN C[C@H](CNc1ccc(/N=C/N(C)C)c(C#N)c1)c1ccc(O)cc1 ZINC001169549413 1022446804 /nfs/dbraw/zinc/44/68/04/1022446804.db2.gz ZIPMAXPYLSKUJO-CYGNYLSHSA-N 0 3 322.412 3.701 20 30 DHEDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000776741572 1022473449 /nfs/dbraw/zinc/47/34/49/1022473449.db2.gz VSKBIRDUDOMJJS-AWEZNQCLSA-N 0 3 311.404 3.923 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2Cc3ccccc3C[C@@H]2C)cc1 ZINC000179909744 1022578096 /nfs/dbraw/zinc/57/80/96/1022578096.db2.gz CEIKFXNBJGZQJV-HOTGVXAUSA-N 0 3 306.409 3.924 20 30 DHEDHN CN(C)[C@H](CNc1snc(Cl)c1C#N)c1cccc(F)c1 ZINC000068659177 1022716158 /nfs/dbraw/zinc/71/61/58/1022716158.db2.gz PPGKEPOFVHNVTJ-GFCCVEGCSA-N 0 3 324.812 3.522 20 30 DHEDHN N#CCCOCCN1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000338983587 1022725289 /nfs/dbraw/zinc/72/52/89/1022725289.db2.gz FOJKAHBOYZHMMB-FQEVSTJZSA-N 0 3 306.409 3.564 20 30 DHEDHN C[C@@H](N[C@@H](CCC#N)c1ccccc1)C1(Br)CC1 ZINC000925602946 1022733650 /nfs/dbraw/zinc/73/36/50/1022733650.db2.gz YFQYRTDEGKBITB-OCCSQVGLSA-N 0 3 307.235 3.937 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)N(C)Cc1ccc(F)cc1F ZINC001172311083 1033079033 /nfs/dbraw/zinc/07/90/33/1033079033.db2.gz OGPZNYJCJKCZBW-CYBMUJFWSA-N 0 3 300.352 3.899 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000767692668 1022773100 /nfs/dbraw/zinc/77/31/00/1022773100.db2.gz XHFYIGDOZKZIFE-IBGZPJMESA-N 0 3 319.408 3.837 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC(=O)[C@H](C)C12CCCC2 ZINC001172317792 1033085607 /nfs/dbraw/zinc/08/56/07/1033085607.db2.gz UQDOQNHUMYAPQG-HOTGVXAUSA-N 0 3 310.441 3.713 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000925644004 1022934369 /nfs/dbraw/zinc/93/43/69/1022934369.db2.gz LKVXSQSNVBIULU-BXUZGUMPSA-N 0 3 314.351 3.657 20 30 DHEDHN C[C@@H](CCc1ccc(OC(F)F)cc1)NCC1(C#N)CCC1 ZINC000418140707 1022971403 /nfs/dbraw/zinc/97/14/03/1022971403.db2.gz JZPCRAFMUCOBGZ-ZDUSSCGKSA-N 0 3 308.372 3.893 20 30 DHEDHN C=CC[N@@H+](Cc1cc(Br)cc(OC)c1[O-])C(C)C ZINC000768546655 1022992181 /nfs/dbraw/zinc/99/21/81/1022992181.db2.gz BVBUIGWZJLMJNF-UHFFFAOYSA-N 0 3 314.223 3.560 20 30 DHEDHN C=CC[N@H+](Cc1cc(Br)cc(OC)c1[O-])C(C)C ZINC000768546655 1022992183 /nfs/dbraw/zinc/99/21/83/1022992183.db2.gz BVBUIGWZJLMJNF-UHFFFAOYSA-N 0 3 314.223 3.560 20 30 DHEDHN CN(CCCOc1cccc(C#N)c1)Cc1cc(F)cc(F)c1 ZINC000444697459 1023000403 /nfs/dbraw/zinc/00/04/03/1023000403.db2.gz YIBDPTVHBMZMJH-UHFFFAOYSA-N 0 3 316.351 3.737 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cc(F)cc(F)c1F ZINC001172290711 1033095546 /nfs/dbraw/zinc/09/55/46/1033095546.db2.gz RRKDVFSURUJVJC-LLVKDONJSA-N 0 3 304.315 3.696 20 30 DHEDHN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1C#N ZINC000859228738 1033106158 /nfs/dbraw/zinc/10/61/58/1033106158.db2.gz CWJMHWFATLCKEY-AWEZNQCLSA-N 0 3 319.408 3.602 20 30 DHEDHN N#Cc1ccc(C2(NCc3ccccc3CF)CCOCC2)cc1 ZINC000931257706 1023132183 /nfs/dbraw/zinc/13/21/83/1023132183.db2.gz OAURZEXKZDPDOJ-UHFFFAOYSA-N 0 3 324.399 3.823 20 30 DHEDHN COc1ccc(C[C@@H](C)CN(CCC#N)CC(C)C)cc1F ZINC000769436570 1023148650 /nfs/dbraw/zinc/14/86/50/1023148650.db2.gz OKAQBNSCINBFMP-OAHLLOKOSA-N 0 3 306.425 3.885 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1C)C(C)(C)C ZINC000876687310 1033123692 /nfs/dbraw/zinc/12/36/92/1033123692.db2.gz NICUNELNVVLWPM-HUUCEWRRSA-N 0 3 308.853 3.668 20 30 DHEDHN CC[C@H](C)c1ccc([C@H](NCC(=O)NCCC#N)C(C)C)cc1 ZINC000198751740 1023371114 /nfs/dbraw/zinc/37/11/14/1023371114.db2.gz FPSNBAKLTINQHI-HNAYVOBHSA-N 0 3 315.461 3.517 20 30 DHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(-c2cc(C)ccn2)no1 ZINC000661114428 1023483769 /nfs/dbraw/zinc/48/37/69/1023483769.db2.gz HDGQIHVTVXCJGA-LSDHHAIUSA-N 0 3 312.417 3.665 20 30 DHEDHN C=CCC[C@H](O)CN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000661208040 1023525976 /nfs/dbraw/zinc/52/59/76/1023525976.db2.gz FFHRVICYULZXMP-ICSRJNTNSA-N 0 3 311.425 3.701 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000785613942 1023598392 /nfs/dbraw/zinc/59/83/92/1023598392.db2.gz GQFFEUKROUXZIN-OAQYLSRUSA-N 0 3 316.404 3.737 20 30 DHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000595602305 1023658730 /nfs/dbraw/zinc/65/87/30/1023658730.db2.gz HZRUGVYBUJBSNU-NVXWUHKLSA-N 0 3 322.412 3.833 20 30 DHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCC(C)(C)C)c1 ZINC000786550117 1023710362 /nfs/dbraw/zinc/71/03/62/1023710362.db2.gz UHHCHTVRHOZKFA-MRXNPFEDSA-N 0 3 314.429 3.537 20 30 DHEDHN COc1ccc(CNCc2cc(F)cc3cccnc32)cc1C#N ZINC000746741225 1023868689 /nfs/dbraw/zinc/86/86/89/1023868689.db2.gz LCUFATUFNOEFDH-UHFFFAOYSA-N 0 3 321.355 3.544 20 30 DHEDHN N#CCOc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000859563364 1033168003 /nfs/dbraw/zinc/16/80/03/1033168003.db2.gz RPBVRRWWIODMRY-IBGZPJMESA-N 0 3 307.397 3.615 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788475964 1023890885 /nfs/dbraw/zinc/89/08/85/1023890885.db2.gz JYBKSKRPPBIKEA-UHFFFAOYSA-N 0 3 314.360 3.965 20 30 DHEDHN CCOC1CC(CC/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])C1 ZINC000788674989 1023917925 /nfs/dbraw/zinc/91/79/25/1023917925.db2.gz RJXBCQGYNXOPDC-XSFVSMFZSA-N 0 3 318.461 3.863 20 30 DHEDHN C=C(CC)COC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772725109 1023937769 /nfs/dbraw/zinc/93/77/69/1023937769.db2.gz RHHKZXXPBBQPPY-UHFFFAOYSA-N 0 3 301.430 3.798 20 30 DHEDHN N#CC1CCC(CN[C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000788816184 1023939776 /nfs/dbraw/zinc/93/97/76/1023939776.db2.gz QNTJQGILEODWGG-SEEARECTSA-N 0 3 304.821 3.831 20 30 DHEDHN C=CCCCOC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772724672 1023942120 /nfs/dbraw/zinc/94/21/20/1023942120.db2.gz ORGXLXTXZVAHAC-UHFFFAOYSA-N 0 3 301.430 3.798 20 30 DHEDHN CCc1ccc([C@H](O)CN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000789372324 1024064756 /nfs/dbraw/zinc/06/47/56/1024064756.db2.gz WQUXFBCUJTYWAT-ORAYPTAESA-N 0 3 312.388 3.644 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)ccc1NC(C)C ZINC000876959274 1033192375 /nfs/dbraw/zinc/19/23/75/1033192375.db2.gz ICBXGDVTOAWCNS-LLVKDONJSA-N 0 3 316.232 3.569 20 30 DHEDHN C=CCC[C@@H](NCc1nccs1)[C@H]1Cc2ccccc2O1 ZINC000883174144 1024268981 /nfs/dbraw/zinc/26/89/81/1024268981.db2.gz CQVREEWFWMHSNH-GDBMZVCRSA-N 0 3 300.427 3.571 20 30 DHEDHN Cn1ccnc1N=NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000790305626 1024277423 /nfs/dbraw/zinc/27/74/23/1024277423.db2.gz LHUXCAUKSDIUHL-UHFFFAOYSA-N 0 3 324.359 3.584 20 30 DHEDHN C=CCC[C@@H](NCc1noc2ccc(F)cc21)[C@@H]1CCCO1 ZINC000883241760 1024312597 /nfs/dbraw/zinc/31/25/97/1024312597.db2.gz KDFJLRZGHQPABL-PBHICJAKSA-N 0 3 304.365 3.570 20 30 DHEDHN C=CCC[C@H](NCc1noc2cc(F)ccc21)[C@H]1CCCO1 ZINC000883243270 1024314172 /nfs/dbraw/zinc/31/41/72/1024314172.db2.gz GSPLMEWKROOJJF-GOEBONIOSA-N 0 3 304.365 3.570 20 30 DHEDHN C=CC(C)(C)CCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000624037712 1024389166 /nfs/dbraw/zinc/38/91/66/1024389166.db2.gz DYCCBQPDHUFCAI-KRWDZBQOSA-N 0 3 301.409 3.841 20 30 DHEDHN CC[C@@H](NCc1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 ZINC000278902349 1024399383 /nfs/dbraw/zinc/39/93/83/1024399383.db2.gz ZMCNUZIBTKVSKK-GOSISDBHSA-N 0 3 322.408 3.960 20 30 DHEDHN C=CCCc1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000453248417 1024424486 /nfs/dbraw/zinc/42/44/86/1024424486.db2.gz RAHSAUQLYSUMIJ-HNNXBMFYSA-N 0 3 315.392 3.707 20 30 DHEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000883390965 1024424824 /nfs/dbraw/zinc/42/48/24/1024424824.db2.gz YXDUMPSELMBTQP-DZGCQCFKSA-N 0 3 302.443 3.788 20 30 DHEDHN COc1ccc(CNCc2ccc(OCC3CC3)cc2)cc1C#N ZINC000790982843 1024425982 /nfs/dbraw/zinc/42/59/82/1024425982.db2.gz KTONJAPZHUEDKO-UHFFFAOYSA-N 0 3 322.408 3.645 20 30 DHEDHN Cc1ccc(Br)cc1CNCc1cc(C#N)cs1 ZINC000190298056 1024438103 /nfs/dbraw/zinc/43/81/03/1024438103.db2.gz IFOQGCQCJFIVNT-UHFFFAOYSA-N 0 3 321.243 3.981 20 30 DHEDHN CO[C@@](C)(CN[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000453323331 1024464339 /nfs/dbraw/zinc/46/43/39/1024464339.db2.gz PMHUMZOYNUCQMJ-KUHUBIRLSA-N 0 3 312.388 3.910 20 30 DHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000453343202 1024472204 /nfs/dbraw/zinc/47/22/04/1024472204.db2.gz GKOSESANZFHUKE-JQWIXIFHSA-N 0 3 319.779 3.919 20 30 DHEDHN Cc1c([C@H](C)NCC(C)(C)CCC#N)nnn1-c1ccccc1 ZINC000348243745 1024540974 /nfs/dbraw/zinc/54/09/74/1024540974.db2.gz MQWMWEVWPQZNED-AWEZNQCLSA-N 0 3 311.433 3.556 20 30 DHEDHN COc1cc(C)c(CN[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000083448573 1024574719 /nfs/dbraw/zinc/57/47/19/1024574719.db2.gz TZWPECLQZFCVSC-CQSZACIVSA-N 0 3 310.397 3.735 20 30 DHEDHN Cc1nc(C)c([C@@H](C)N(C)CCOc2ccc(C#N)cc2)s1 ZINC000106876498 1024606368 /nfs/dbraw/zinc/60/63/68/1024606368.db2.gz DXRPLMZOSKUSCH-CYBMUJFWSA-N 0 3 315.442 3.703 20 30 DHEDHN CCC[C@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000348816807 1024621043 /nfs/dbraw/zinc/62/10/43/1024621043.db2.gz MSNRVDRWRNORHI-KRWDZBQOSA-N 0 3 313.445 3.588 20 30 DHEDHN N#CC(C(=O)C=Cc1cncc(F)c1)c1nccc2ccccc21 ZINC000792102383 1024625062 /nfs/dbraw/zinc/62/50/62/1024625062.db2.gz IITBZLWBXJVFHN-RTRPANQVSA-N 0 3 317.323 3.659 20 30 DHEDHN N#CC(C(=O)C=Cc1cncc(F)c1)c1nccc2ccccc21 ZINC000792102380 1024625607 /nfs/dbraw/zinc/62/56/07/1024625607.db2.gz IITBZLWBXJVFHN-OSJSJHBBSA-N 0 3 317.323 3.659 20 30 DHEDHN N#CC(C(=O)CC1CCSCC1)c1nccc2ccccc21 ZINC000792098516 1024631584 /nfs/dbraw/zinc/63/15/84/1024631584.db2.gz BYKASSUPAOQBKP-INIZCTEOSA-N 0 3 310.422 3.944 20 30 DHEDHN CCn1nccc1C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000278947395 1024635205 /nfs/dbraw/zinc/63/52/05/1024635205.db2.gz VDKSBGRGRMAJRS-HNNXBMFYSA-N 0 3 308.429 3.715 20 30 DHEDHN CCn1nccc1C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000278947399 1024636251 /nfs/dbraw/zinc/63/62/51/1024636251.db2.gz VDKSBGRGRMAJRS-OAHLLOKOSA-N 0 3 308.429 3.715 20 30 DHEDHN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H](C)CCCC#N ZINC001172497798 1033228617 /nfs/dbraw/zinc/22/86/17/1033228617.db2.gz GJOFHMFFMIFLDR-JKSUJKDBSA-N 0 3 323.481 3.790 20 30 DHEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)Cc1cccs1 ZINC000877070767 1033227594 /nfs/dbraw/zinc/22/75/94/1033227594.db2.gz VNRMAMLHVOUNSG-LLVKDONJSA-N 0 3 305.834 3.637 20 30 DHEDHN C[C@H](CCCC#N)N1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001172498336 1033230232 /nfs/dbraw/zinc/23/02/32/1033230232.db2.gz LTLHCXOLNSANSV-KFWWJZLASA-N 0 3 306.413 3.599 20 30 DHEDHN CCO[C@@H](CCNCc1cc(C#N)cnc1Cl)C1CCCC1 ZINC000877079384 1033232343 /nfs/dbraw/zinc/23/23/43/1033232343.db2.gz DOCMIICOSWGUMZ-INIZCTEOSA-N 0 3 321.852 3.682 20 30 DHEDHN C=CCCCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)NC(C)C ZINC001279272295 1024802776 /nfs/dbraw/zinc/80/27/76/1024802776.db2.gz SZOZYPJSQXAJQJ-HDICACEKSA-N 0 3 321.509 3.780 20 30 DHEDHN N#CCOc1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000792976451 1024851497 /nfs/dbraw/zinc/85/14/97/1024851497.db2.gz OZQZWNHCKWCKIF-UHFFFAOYSA-N 0 3 302.324 3.816 20 30 DHEDHN CCCCCCCCN1CCC[C@@]12CCN(CC(F)F)C2=O ZINC001275119413 1024926061 /nfs/dbraw/zinc/92/60/61/1024926061.db2.gz REHXWEBGTWBUPM-KRWDZBQOSA-N 0 3 316.436 3.679 20 30 DHEDHN C=CCCC(C)(C)CNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000877147648 1033259572 /nfs/dbraw/zinc/25/95/72/1033259572.db2.gz JICWOCUVCLNNHI-CQSZACIVSA-N 0 3 323.868 3.542 20 30 DHEDHN CC[C@](C)(NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000793584125 1025117579 /nfs/dbraw/zinc/11/75/79/1025117579.db2.gz LMQDHKXELOOCJV-IBGZPJMESA-N 0 3 304.397 3.621 20 30 DHEDHN COc1cc(CN[C@H](c2cccnc2)C2CCC2)ccc1C#N ZINC000353625765 1025162962 /nfs/dbraw/zinc/16/29/62/1025162962.db2.gz GQYYQWOMWIVKLJ-IBGZPJMESA-N 0 3 307.397 3.593 20 30 DHEDHN N#Cc1ccc(C2(NCc3ccc(CF)cc3)CCOCC2)cc1 ZINC000859883181 1033264681 /nfs/dbraw/zinc/26/46/81/1033264681.db2.gz OIJXAJJAWMSLNN-UHFFFAOYSA-N 0 3 324.399 3.823 20 30 DHEDHN CCC(C)(C)N(C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000348332874 1025240977 /nfs/dbraw/zinc/24/09/77/1025240977.db2.gz WMIMYHYUIVUAOJ-UHFFFAOYSA-N 0 3 311.429 3.858 20 30 DHEDHN CCN(CC)[C@H](CNc1nc(Cl)c(C#N)s1)c1ccco1 ZINC000804386924 1025269192 /nfs/dbraw/zinc/26/91/92/1025269192.db2.gz JONWKFOVZCDEHM-SNVBAGLBSA-N 0 3 324.837 3.756 20 30 DHEDHN C[C@H](NC[C@H]1CCC2(CCC2)CO1)c1ccc(C#N)cc1F ZINC000886125357 1025517130 /nfs/dbraw/zinc/51/71/30/1025517130.db2.gz PHMQFWJXRDTFHI-DZGCQCFKSA-N 0 3 302.393 3.697 20 30 DHEDHN C#CC[C@@H]1CCN([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000886355856 1025602754 /nfs/dbraw/zinc/60/27/54/1025602754.db2.gz OTKFJXDKIHVLLI-UONOGXRCSA-N 0 3 313.376 3.590 20 30 DHEDHN COc1c(Cl)cccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000897479766 1025736724 /nfs/dbraw/zinc/73/67/24/1025736724.db2.gz HTEZJQXUFSMGDD-CYBMUJFWSA-N 0 3 322.836 3.537 20 30 DHEDHN CC(C)Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000894101398 1025778495 /nfs/dbraw/zinc/77/84/95/1025778495.db2.gz GMLLCTBBJOUPKW-HXUWFJFHSA-N 0 3 305.425 3.929 20 30 DHEDHN C=CCC1(O)CCN(Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000886757811 1025878433 /nfs/dbraw/zinc/87/84/33/1025878433.db2.gz RVAWTHZDDVEGKA-UHFFFAOYSA-N 0 3 315.457 3.717 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCCO1 ZINC000356052781 1025930480 /nfs/dbraw/zinc/93/04/80/1025930480.db2.gz IEMXQQMEMHPDMG-CQSZACIVSA-N 0 3 312.335 3.578 20 30 DHEDHN C=CCCC1(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000356253677 1025997122 /nfs/dbraw/zinc/99/71/22/1025997122.db2.gz LFHGBWBUSBDOKL-WBVHZDCISA-N 0 3 300.446 3.540 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000237501758 1026015994 /nfs/dbraw/zinc/01/59/94/1026015994.db2.gz CDMJUBHLGWPAQB-HNAYVOBHSA-N 0 3 322.408 3.981 20 30 DHEDHN C[S@@](=O)C[C@@H](NCCC1(C#N)CCCCC1)c1ccccc1 ZINC000411468773 1026020220 /nfs/dbraw/zinc/02/02/20/1026020220.db2.gz CVJKEQVIDWOVQN-VGOFRKELSA-N 0 3 318.486 3.560 20 30 DHEDHN COCCOCc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000289794151 1026176673 /nfs/dbraw/zinc/17/66/73/1026176673.db2.gz QVRRGXDUZAXUEU-INIZCTEOSA-N 0 3 324.424 3.572 20 30 DHEDHN COc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)ccc1C ZINC000237105290 1026436417 /nfs/dbraw/zinc/43/64/17/1026436417.db2.gz USNSNLZYRUYPJT-HNNXBMFYSA-N 0 3 310.397 3.584 20 30 DHEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)c1ccc2n[nH]cc2c1 ZINC000513411169 1026495510 /nfs/dbraw/zinc/49/55/10/1026495510.db2.gz KNSYBYFFWTVJAH-ZDUSSCGKSA-N 0 3 309.800 3.919 20 30 DHEDHN CN(CCOc1cccc(C#N)c1)Cc1cc2ccccc2o1 ZINC000513485325 1026525882 /nfs/dbraw/zinc/52/58/82/1026525882.db2.gz QCFLYQAVPGICNO-UHFFFAOYSA-N 0 3 306.365 3.815 20 30 DHEDHN C#Cc1ccc(CNCc2cc(F)cc(Br)c2)cc1 ZINC000809608101 1026562868 /nfs/dbraw/zinc/56/28/68/1026562868.db2.gz HURBUAAQRZEGSN-UHFFFAOYSA-N 0 3 318.189 3.859 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(Br)c(F)c2)cc1 ZINC000809611182 1026563856 /nfs/dbraw/zinc/56/38/56/1026563856.db2.gz UZQDOBMRSZYVQA-UHFFFAOYSA-N 0 3 318.189 3.859 20 30 DHEDHN C#Cc1ccc(CNCc2cc(OC)nc3ccccc23)cc1 ZINC000809623319 1026574825 /nfs/dbraw/zinc/57/48/25/1026574825.db2.gz SZPKZQGRIQJLSM-UHFFFAOYSA-N 0 3 302.377 3.515 20 30 DHEDHN C#C[C@H](C)NCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000809684347 1026591192 /nfs/dbraw/zinc/59/11/92/1026591192.db2.gz ZMPNWNSVTUXGPZ-INIZCTEOSA-N 0 3 309.409 3.776 20 30 DHEDHN C#C[C@@H](CC)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000809686302 1026592360 /nfs/dbraw/zinc/59/23/60/1026592360.db2.gz IQXCZPOYJLGNNF-IBGZPJMESA-N 0 3 304.393 3.639 20 30 DHEDHN C#C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(C)C ZINC000809684869 1026593707 /nfs/dbraw/zinc/59/37/07/1026593707.db2.gz QTDYTLFQNWOECA-LJQANCHMSA-N 0 3 309.409 3.719 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(-c2ccsc2)n1 ZINC000280660820 1026687960 /nfs/dbraw/zinc/68/79/60/1026687960.db2.gz PBTWVQKWINDQKL-DOMZBBRYSA-N 0 3 320.483 3.942 20 30 DHEDHN C#CCOc1ccccc1CNC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000810169595 1026691585 /nfs/dbraw/zinc/69/15/85/1026691585.db2.gz TUUHJFUJXUCICD-CTNGQTDRSA-N 0 3 321.420 3.709 20 30 DHEDHN CCN(C)c1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000810217107 1026710269 /nfs/dbraw/zinc/71/02/69/1026710269.db2.gz WPLLKMQFCZBXQF-LJQANCHMSA-N 0 3 305.425 3.791 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(F)cc2)s1 ZINC000419831722 1026766371 /nfs/dbraw/zinc/76/63/71/1026766371.db2.gz IDZXOLSRXGUVCG-LBPRGKRZSA-N 0 3 317.389 3.826 20 30 DHEDHN COc1ccc2c(c1)OC(C)(C)CN(CCCC(C)(C)C#N)C2 ZINC000421040651 1026921793 /nfs/dbraw/zinc/92/17/93/1026921793.db2.gz NUXRDROGVDCGFE-UHFFFAOYSA-N 0 3 316.445 3.998 20 30 DHEDHN CCn1nc(C)c(CN(C)CCCCC2(C#N)CCC2)c1C ZINC000931380766 1027105324 /nfs/dbraw/zinc/10/53/24/1027105324.db2.gz QIQJFSAMNVFTPE-UHFFFAOYSA-N 0 3 302.466 3.816 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC(c2ncco2)CC1 ZINC000931445362 1027124845 /nfs/dbraw/zinc/12/48/45/1027124845.db2.gz FIUWWOJUDATJES-UHFFFAOYSA-N 0 3 309.413 3.855 20 30 DHEDHN C[C@@H]1CC[C@H](N(C)Cc2ccc(Br)cc2C#N)C1 ZINC000573395541 1027289259 /nfs/dbraw/zinc/28/92/59/1027289259.db2.gz QWQVVTPALIVTAQ-ABAIWWIYSA-N 0 3 307.235 3.941 20 30 DHEDHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(Br)cc2C#N)C1 ZINC000573395552 1027289388 /nfs/dbraw/zinc/28/93/88/1027289388.db2.gz QWQVVTPALIVTAQ-IAQYHMDHSA-N 0 3 307.235 3.941 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913894 1027303156 /nfs/dbraw/zinc/30/31/56/1027303156.db2.gz QCARXDMMJNKBPR-BXUZGUMPSA-N 0 3 312.310 3.986 20 30 DHEDHN N#CCC1(CN2CCC[C@@H](c3nc4c(s3)CCC4)C2)CC1 ZINC000932187321 1027401635 /nfs/dbraw/zinc/40/16/35/1027401635.db2.gz CPDGKSSXPOXUCM-CYBMUJFWSA-N 0 3 301.459 3.505 20 30 DHEDHN CCN(CC#Cc1ccc(F)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849610 1027445517 /nfs/dbraw/zinc/44/55/17/1027445517.db2.gz OSCRPMFIEHLUKA-UZLBHIALSA-N 0 3 311.400 3.621 20 30 DHEDHN N#CCCN(C1CCCC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170695888 1027503816 /nfs/dbraw/zinc/50/38/16/1027503816.db2.gz PMZWIEUUCHTNEH-MRXNPFEDSA-N 0 3 304.384 3.980 20 30 DHEDHN CC[C@@H](Cc1ccc(Cl)cc1)NCc1nc(C#N)cs1 ZINC000575958289 1027534678 /nfs/dbraw/zinc/53/46/78/1027534678.db2.gz ITBJBQXILMMMKH-ZDUSSCGKSA-N 0 3 305.834 3.779 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nc4c(s3)CCC4)CC2)C1 ZINC000932619468 1027568527 /nfs/dbraw/zinc/56/85/27/1027568527.db2.gz MNFXYEATHDELGC-TZMCWYRMSA-N 0 3 301.459 3.503 20 30 DHEDHN C=CCCn1cc(CN2CCC[C@@]2(C)Cc2cccs2)nn1 ZINC000932923030 1027650416 /nfs/dbraw/zinc/65/04/16/1027650416.db2.gz PCLRVFAJXJMFSW-KRWDZBQOSA-N 0 3 316.474 3.513 20 30 DHEDHN C=CCCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944932 1027655467 /nfs/dbraw/zinc/65/54/67/1027655467.db2.gz OLKOCVADSJBZJS-YUMQZZPRSA-N 0 3 323.227 3.665 20 30 DHEDHN C#CCN1CC[C@@]2(CCCN2C/C=C/CCCCCCC)C1=O ZINC001275840116 1027669217 /nfs/dbraw/zinc/66/92/17/1027669217.db2.gz DHQSAULUGFDLGN-CFGKVWFZSA-N 0 3 316.489 3.603 20 30 DHEDHN N#Cc1cc(Cl)cc(CN2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000933089308 1027674457 /nfs/dbraw/zinc/67/44/57/1027674457.db2.gz QNDAWPGWTHHYOW-QGZVFWFLSA-N 0 3 318.848 3.850 20 30 DHEDHN C=CC1CCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000600679985 1027785124 /nfs/dbraw/zinc/78/51/24/1027785124.db2.gz PRLZZYREKRBXRG-QGZVFWFLSA-N 0 3 314.473 3.710 20 30 DHEDHN CC(C)[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000008002972 1027959913 /nfs/dbraw/zinc/95/99/13/1027959913.db2.gz HCCUVPUJDGUHKA-BEFAXECRSA-N 0 3 321.424 3.872 20 30 DHEDHN COc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1Cl ZINC000577921760 1027989512 /nfs/dbraw/zinc/98/95/12/1027989512.db2.gz VCFZZTHLQUBJEG-QGZVFWFLSA-N 0 3 312.800 3.997 20 30 DHEDHN N#CCCCCN1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934424180 1028001948 /nfs/dbraw/zinc/00/19/48/1028001948.db2.gz SOXMNKHYRRGZMU-UHFFFAOYSA-N 0 3 304.821 3.929 20 30 DHEDHN COc1ccc2c(c1)CC[C@@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000601274214 1028051948 /nfs/dbraw/zinc/05/19/48/1028051948.db2.gz RWPLLLOHZFPLDI-IBGZPJMESA-N 0 3 304.393 3.833 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000367064814 1028130134 /nfs/dbraw/zinc/13/01/34/1028130134.db2.gz FWXYAXCABSGZNW-UHFFFAOYSA-N 0 3 310.445 3.659 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000367919552 1028259641 /nfs/dbraw/zinc/25/96/41/1028259641.db2.gz ZKOYPPRMNJOMAP-CYBMUJFWSA-N 0 3 314.820 3.806 20 30 DHEDHN N#Cc1cccc(OCCCN2CCC=C(c3ccccn3)C2)c1 ZINC000579430688 1028410247 /nfs/dbraw/zinc/41/02/47/1028410247.db2.gz UPPUUZDQJRGDBS-UHFFFAOYSA-N 0 3 319.408 3.511 20 30 DHEDHN C=CCCCC[C@H](C)[NH2+][C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000449290684 1028530776 /nfs/dbraw/zinc/53/07/76/1028530776.db2.gz HDHDWGFCBNXHQH-GJZGRUSLSA-N 0 3 313.449 3.961 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000565047159 1028534521 /nfs/dbraw/zinc/53/45/21/1028534521.db2.gz CXICWIGVLQESFJ-KRWDZBQOSA-N 0 3 321.380 3.846 20 30 DHEDHN C=CCOc1cccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000565088413 1028536487 /nfs/dbraw/zinc/53/64/87/1028536487.db2.gz DATPICSLRFOSHL-GOSISDBHSA-N 0 3 311.429 3.928 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@@H](SC)C2)ccc1OC ZINC000449445737 1028648166 /nfs/dbraw/zinc/64/81/66/1028648166.db2.gz LAZWSSZJHIBIPK-OAHLLOKOSA-N 0 3 307.459 3.587 20 30 DHEDHN C[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)(F)F ZINC000815941591 1028659435 /nfs/dbraw/zinc/65/94/35/1028659435.db2.gz HQJPUURIBOFOEX-APPZFPTMSA-N 0 3 312.316 3.903 20 30 DHEDHN CC(=O)c1ccc2c(c1)CCN([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000371043606 1028665330 /nfs/dbraw/zinc/66/53/30/1028665330.db2.gz NZWDCVFYECNCQI-HNNXBMFYSA-N 0 3 318.420 3.923 20 30 DHEDHN COc1cc2c(cc1OC)[C@@H](C)N(CCCC#N)C[C@@H](C)C2 ZINC000371361412 1028696338 /nfs/dbraw/zinc/69/63/38/1028696338.db2.gz RLODBWXZRZMAFD-UONOGXRCSA-N 0 3 302.418 3.563 20 30 DHEDHN C[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)(F)F ZINC000816067891 1028717852 /nfs/dbraw/zinc/71/78/52/1028717852.db2.gz CORYHMAAZRQIMB-BDAKNGLRSA-N 0 3 300.374 3.908 20 30 DHEDHN COc1cc(CNC/C=C/c2ccc(F)c(F)c2)ccc1C#N ZINC000566827531 1028789492 /nfs/dbraw/zinc/78/94/92/1028789492.db2.gz YZQVIDOQKOXWEJ-NSCUHMNNSA-N 0 3 314.335 3.648 20 30 DHEDHN C[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1ccc(C#N)s1 ZINC000372511291 1028868300 /nfs/dbraw/zinc/86/83/00/1028868300.db2.gz GHVZTIABJAMEBB-ZDUSSCGKSA-N 0 3 322.437 3.871 20 30 DHEDHN C#CC[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1ccccc1 ZINC000372836619 1028910116 /nfs/dbraw/zinc/91/01/16/1028910116.db2.gz KTDFGHDDEZUOCQ-NRFANRHFSA-N 0 3 315.420 3.941 20 30 DHEDHN CC[C@H](C(=O)C(C#N)c1nc2ccccc2s1)N(CC)CC ZINC000778600023 1028935075 /nfs/dbraw/zinc/93/50/75/1028935075.db2.gz WDHGOPWRTNVBFV-GXTWGEPZSA-N 0 3 315.442 3.593 20 30 DHEDHN N#Cc1ccc(CNCc2ccc(OCC3CC3)cc2)cc1F ZINC000449736440 1028958947 /nfs/dbraw/zinc/95/89/47/1028958947.db2.gz MKYZZXAODSIUJT-UHFFFAOYSA-N 0 3 310.372 3.776 20 30 DHEDHN C[C@@H]1[C@@H](C)CN1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000816648506 1028971808 /nfs/dbraw/zinc/97/18/08/1028971808.db2.gz LJMSJZIGCQSEMI-JKSUJKDBSA-N 0 3 306.409 3.977 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1nc(-c2cccs2)oc1C ZINC000411634765 1029173185 /nfs/dbraw/zinc/17/31/85/1029173185.db2.gz ATHKTRXTOYLLFG-UHFFFAOYSA-N 0 3 319.474 3.651 20 30 DHEDHN C=CCCCN[C@H](c1nc(Br)cs1)C1CC1 ZINC000817583746 1029211787 /nfs/dbraw/zinc/21/17/87/1029211787.db2.gz IGEDMASYVMJZQX-NSHDSACASA-N 0 3 301.253 3.913 20 30 DHEDHN Cc1ccc(C)c(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000190941846 1029219253 /nfs/dbraw/zinc/21/92/53/1029219253.db2.gz BQLCWJJBCWNIMQ-HNNXBMFYSA-N 0 3 301.349 3.737 20 30 DHEDHN C#C[C@H]1CCCN([C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170887084 1029335919 /nfs/dbraw/zinc/33/59/19/1029335919.db2.gz SWVAICOLKWQYIX-SUMWQHHRSA-N 0 3 318.258 3.652 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2ccc(O)cc21 ZINC000585726470 1029551635 /nfs/dbraw/zinc/55/16/35/1029551635.db2.gz ASCCLGFDVMSXTE-UXHICEINSA-N 0 3 304.393 3.918 20 30 DHEDHN CC(C)(C#N)CCN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451304717 1029845794 /nfs/dbraw/zinc/84/57/94/1029845794.db2.gz JDTKJSNDGUBISP-CQSZACIVSA-N 0 3 314.351 3.658 20 30 DHEDHN CC1(C)[C@H](NCc2ccc(Cl)cc2C#N)[C@H]2CCCO[C@@H]21 ZINC000451481803 1029880317 /nfs/dbraw/zinc/88/03/17/1029880317.db2.gz UTEFTZYUEXEAGJ-OAGGEKHMSA-N 0 3 304.821 3.505 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(C)C ZINC000412988487 1029905175 /nfs/dbraw/zinc/90/51/75/1029905175.db2.gz MAYUYQQBNYLMDU-OAHLLOKOSA-N 0 3 322.522 3.629 20 30 DHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](C)CC1 ZINC000357393816 1030032337 /nfs/dbraw/zinc/03/23/37/1030032337.db2.gz XPXQNIXIJXERAC-QWHCGFSZSA-N 0 3 319.836 3.661 20 30 DHEDHN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[C@@H](C)C1 ZINC000452060318 1030117434 /nfs/dbraw/zinc/11/74/34/1030117434.db2.gz DGZUKFIHSLOWNU-KEYYUXOJSA-N 0 3 324.428 3.913 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H]2CCCc3ncccc32)c1 ZINC000866297448 1030211894 /nfs/dbraw/zinc/21/18/94/1030211894.db2.gz JPEMPZVKZFCCCC-OXQOHEQNSA-N 0 3 321.424 3.930 20 30 DHEDHN CCN(CCNCc1ccc(C#N)cc1F)c1cccc(C)c1 ZINC000533311647 1030258398 /nfs/dbraw/zinc/25/83/98/1030258398.db2.gz PRPFUAJULKEPHU-UHFFFAOYSA-N 0 3 311.404 3.622 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000533299941 1030259898 /nfs/dbraw/zinc/25/98/98/1030259898.db2.gz SNNWXVUAOKIROT-KGLIPLIRSA-N 0 3 308.853 3.804 20 30 DHEDHN C#CCOc1ccc(CN[C@@H]2CCCN(C)c3ccccc32)cc1 ZINC000825111503 1030726450 /nfs/dbraw/zinc/72/64/50/1030726450.db2.gz NVSDNNHPHZDAFK-HXUWFJFHSA-N 0 3 320.436 3.760 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H]1c1ccc(C)s1 ZINC000359095495 1030775451 /nfs/dbraw/zinc/77/54/51/1030775451.db2.gz MOUHJEZPPBDPLG-HOTGVXAUSA-N 0 3 318.486 3.783 20 30 DHEDHN C=CCCSCCN[C@H](C)c1cccc(Br)n1 ZINC000926685232 1030859933 /nfs/dbraw/zinc/85/99/33/1030859933.db2.gz MAGZNLQNNHJBOQ-LLVKDONJSA-N 0 3 315.280 3.804 20 30 DHEDHN N#Cc1ccc(CNC2(C3CCC3)CC2)c(Br)c1 ZINC000593080703 1030882790 /nfs/dbraw/zinc/88/27/90/1030882790.db2.gz KYNKEWVALALBRC-UHFFFAOYSA-N 0 3 305.219 3.743 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558941598 1030954308 /nfs/dbraw/zinc/95/43/08/1030954308.db2.gz UJCZXJMABLNJQF-HZPDHXFCSA-N 0 3 323.868 3.597 20 30 DHEDHN COc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)c(C)c1OC ZINC000927122829 1031106610 /nfs/dbraw/zinc/10/66/10/1031106610.db2.gz KBAWXUGAULHLQC-GOSISDBHSA-N 0 3 322.408 3.661 20 30 DHEDHN CC[C@@H](N[C@H]1c2ccccc2CC[C@H]1O)c1cccc(C#N)c1 ZINC000927139958 1031114903 /nfs/dbraw/zinc/11/49/03/1031114903.db2.gz PBXDWUKJUMGCPL-AQNXPRMDSA-N 0 3 306.409 3.647 20 30 DHEDHN C=CC[C@@H](C)C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001144019681 1031178627 /nfs/dbraw/zinc/17/86/27/1031178627.db2.gz ZVTLECUWNYUKDY-SCTDSRPQSA-N 0 3 314.473 3.568 20 30 DHEDHN C=CCN(Cc1ccc(OCc2ccncc2)c(OC)c1)C1CC1 ZINC000273541674 1031287540 /nfs/dbraw/zinc/28/75/40/1031287540.db2.gz XALVXZXTYBXOAT-UHFFFAOYSA-N 0 3 324.424 3.820 20 30 DHEDHN N#Cc1ccc(CN2CCC3(CCCc4ccccc43)CC2)nc1 ZINC001144153780 1031289467 /nfs/dbraw/zinc/28/94/67/1031289467.db2.gz OWZQZEKNZFBBSK-UHFFFAOYSA-N 0 3 317.436 3.823 20 30 DHEDHN CN(CCc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cn1 ZINC001144169334 1031307828 /nfs/dbraw/zinc/30/78/28/1031307828.db2.gz GBWZQKLZGMMAGK-UHFFFAOYSA-N 0 3 319.330 3.647 20 30 DHEDHN CC(C)(CCC#N)CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000162743322 1031315752 /nfs/dbraw/zinc/31/57/52/1031315752.db2.gz VPZFJRCTRKZATK-UHFFFAOYSA-N 0 3 319.880 3.788 20 30 DHEDHN C=CC1(CC(=O)N2CCN(C(C)(C)CC)CC2)CCCCC1 ZINC001144205103 1031340415 /nfs/dbraw/zinc/34/04/15/1031340415.db2.gz HPLPWSKTZAKTAC-UHFFFAOYSA-N 0 3 306.494 3.846 20 30 DHEDHN C=CCOc1ccc(CN(C)CCOCC2CC2)cc1Cl ZINC000536710751 1031413933 /nfs/dbraw/zinc/41/39/33/1031413933.db2.gz SQNFOFILJDCXFA-UHFFFAOYSA-N 0 3 309.837 3.763 20 30 DHEDHN C=CC(C)(C)CCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000872100054 1031493568 /nfs/dbraw/zinc/49/35/68/1031493568.db2.gz GQMHNSIZBPKTLS-HNNXBMFYSA-N 0 3 302.397 3.615 20 30 DHEDHN N#Cc1ccc(CN(C[C@@H]2CC[C@H](C(F)(F)F)O2)C2CC2)cc1 ZINC000929368012 1031504003 /nfs/dbraw/zinc/50/40/03/1031504003.db2.gz UGZJTUCIZOXEML-JKSUJKDBSA-N 0 3 324.346 3.633 20 30 DHEDHN CN(Cc1cncc(C#N)c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000929423848 1031518908 /nfs/dbraw/zinc/51/89/08/1031518908.db2.gz DREJGPZWJVGSTF-UXHICEINSA-N 0 3 321.424 3.553 20 30 DHEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000929472316 1031527906 /nfs/dbraw/zinc/52/79/06/1031527906.db2.gz DAQXKCDLYRGMNK-GJZGRUSLSA-N 0 3 306.475 3.604 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)NC(C)(C)C(=O)c1ccccc1 ZINC001171176574 1031546255 /nfs/dbraw/zinc/54/62/55/1031546255.db2.gz TXCOVIROQYMCTA-HNNXBMFYSA-N 0 3 306.409 3.740 20 30 DHEDHN C[C@@H](N)c1nc2ccccc2n1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171179361 1031575901 /nfs/dbraw/zinc/57/59/01/1031575901.db2.gz RPQHTCAQPXLENC-UONOGXRCSA-N 0 3 304.397 3.731 20 30 DHEDHN CN(Cc1cc(Cl)cc(C#N)c1)[C@@H](CCO)c1ccccc1 ZINC000929726336 1031590607 /nfs/dbraw/zinc/59/06/07/1031590607.db2.gz RXXZAJZOXDMDJG-SFHVURJKSA-N 0 3 314.816 3.767 20 30 DHEDHN N#Cc1ccc(C2=CCN(CCSc3ccncc3)CC2)cc1 ZINC000930158571 1031718029 /nfs/dbraw/zinc/71/80/29/1031718029.db2.gz NSJKGNWFGYCDBQ-UHFFFAOYSA-N 0 3 321.449 3.835 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@@H](Oc3ccccc3OC)C2)cc1 ZINC001144573427 1031722973 /nfs/dbraw/zinc/72/29/73/1031722973.db2.gz JLDKISWSKWFAOK-LJQANCHMSA-N 0 3 321.420 3.720 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001144576827 1031724395 /nfs/dbraw/zinc/72/43/95/1031724395.db2.gz RPCFRMTUSFCLLA-HXUWFJFHSA-N 0 3 316.404 3.583 20 30 DHEDHN C[C@H](NC[C@H](O)CC#N)c1ccccc1-c1ccc(Cl)cc1 ZINC000930223471 1031745210 /nfs/dbraw/zinc/74/52/10/1031745210.db2.gz XSFMMJGFEXYXDL-XJKSGUPXSA-N 0 3 314.816 3.932 20 30 DHEDHN C[C@H](CCc1c[nH]c2ccccc12)NCc1nc(C#N)cs1 ZINC000897625867 1031749564 /nfs/dbraw/zinc/74/95/64/1031749564.db2.gz JBQVKAHZMBDBRI-GFCCVEGCSA-N 0 3 310.426 3.607 20 30 DHEDHN C[C@H](CCc1cncc2ccccc21)NCc1nc(C#N)cs1 ZINC000897625332 1031750893 /nfs/dbraw/zinc/75/08/93/1031750893.db2.gz ABYAKNWMVLOSRF-CYBMUJFWSA-N 0 3 322.437 3.674 20 30 DHEDHN C=CCNC(=O)CN[C@H](CCCc1ccccc1)c1ccccc1 ZINC000537474452 1031803546 /nfs/dbraw/zinc/80/35/46/1031803546.db2.gz AUGDUEBJOBMZIR-HXUWFJFHSA-N 0 3 322.452 3.642 20 30 DHEDHN CC[C@@H](NC(=O)C(C#N)C(=O)C1CCC=CCC1)c1ccccc1 ZINC000873523105 1031857112 /nfs/dbraw/zinc/85/71/12/1031857112.db2.gz NAOIGFZDZBVSJB-QZTJIDSGSA-N 0 3 324.424 3.709 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846107000 1031880428 /nfs/dbraw/zinc/88/04/28/1031880428.db2.gz DQDXUESYJMRPTC-CJNGLKHVSA-N 0 3 306.356 3.599 20 30 DHEDHN N#CC(C(=O)c1ccc(C2CC2)cn1)c1nccc2ccccc21 ZINC000361538380 1031975602 /nfs/dbraw/zinc/97/56/02/1031975602.db2.gz BWVNUEQTSDJBIU-KRWDZBQOSA-N 0 3 313.360 3.997 20 30 DHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000931062702 1032021397 /nfs/dbraw/zinc/02/13/97/1032021397.db2.gz SOQRTHHSPYEQNA-RHSMWYFYSA-N 0 3 315.461 3.753 20 30 DHEDHN CCCC[C@@H]1C[C@@H](N[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C ZINC001172636665 1033300823 /nfs/dbraw/zinc/30/08/23/1033300823.db2.gz PBMFVKODUGLMLL-HRCADAONSA-N 0 3 323.481 3.836 20 30 DHEDHN N#CC(C(=O)CC1CCC(F)(F)CC1)c1nc2ccccc2[nH]1 ZINC000860450405 1033383658 /nfs/dbraw/zinc/38/36/58/1033383658.db2.gz RVDCCKATVKXCBT-GFCCVEGCSA-N 0 3 317.339 3.955 20 30 DHEDHN COc1ccccc1[C@@H]1CCCN(Cc2cccc(C#N)n2)CC1 ZINC000877769719 1033442891 /nfs/dbraw/zinc/44/28/91/1033442891.db2.gz MGIJGVCJMDOLKZ-MRXNPFEDSA-N 0 3 321.424 3.732 20 30 DHEDHN C#CCCCCCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000878112572 1033583719 /nfs/dbraw/zinc/58/37/19/1033583719.db2.gz LMSJFBBXYACJTF-UHFFFAOYSA-N 0 3 301.274 3.997 20 30 DHEDHN CSCC[C@H](C)N(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878251349 1033634564 /nfs/dbraw/zinc/63/45/64/1033634564.db2.gz XOUZCHBUHFDWMX-MAUKXSAKSA-N 0 3 318.486 3.500 20 30 DHEDHN C=CCN(Cc1cc(C(=O)OC)ccc1OC)C1CCCCC1 ZINC001137251539 1033641640 /nfs/dbraw/zinc/64/16/40/1033641640.db2.gz JPTKXFLWNMVFCG-UHFFFAOYSA-N 0 3 317.429 3.803 20 30 DHEDHN N#CCC1CCN(CCc2ccccc2Br)CC1 ZINC000878396686 1033689858 /nfs/dbraw/zinc/68/98/58/1033689858.db2.gz PBLOCBNOFNJAJW-UHFFFAOYSA-N 0 3 307.235 3.617 20 30 DHEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000878384260 1033683759 /nfs/dbraw/zinc/68/37/59/1033683759.db2.gz AVSLCISGLGMDGI-WBVHZDCISA-N 0 3 300.446 3.540 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1C[C@@H](C)CC(C)(C)C1)c1ccccc1 ZINC000878403627 1033691819 /nfs/dbraw/zinc/69/18/19/1033691819.db2.gz DERXJIUFHIDBHJ-JXFKEZNVSA-N 0 3 312.457 3.795 20 30 DHEDHN C#CCCOc1ccc(CNCc2cc(C)cc(OC)c2)cc1 ZINC000127138944 1033718902 /nfs/dbraw/zinc/71/89/02/1033718902.db2.gz AVXHBTLOHTUUFT-UHFFFAOYSA-N 0 3 309.409 3.696 20 30 DHEDHN COC(=O)c1cc(CNC(C)(C)c2cccc(C#N)c2)ccc1C ZINC000878888726 1033856983 /nfs/dbraw/zinc/85/69/83/1033856983.db2.gz SQBFEZUPRZYEHN-UHFFFAOYSA-N 0 3 322.408 3.678 20 30 DHEDHN CCOc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000174430033 1033933096 /nfs/dbraw/zinc/93/30/96/1033933096.db2.gz QSTSERGXQAUXCU-AWEZNQCLSA-N 0 3 310.397 3.816 20 30 DHEDHN CN(C)Cc1ccccc1Nc1c(C#N)cnn1-c1ccccc1 ZINC001173929503 1033992319 /nfs/dbraw/zinc/99/23/19/1033992319.db2.gz DBUMIHITTDPRTK-UHFFFAOYSA-N 0 3 317.396 3.549 20 30 DHEDHN CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(C)cc1[O-] ZINC000794814098 1034519215 /nfs/dbraw/zinc/51/92/15/1034519215.db2.gz GYUGDEBQIJKNCR-QGZVFWFLSA-N 0 3 310.397 3.822 20 30 DHEDHN N#C[C@@H](c1ccccc1)N1CCN(CCC2CCCCC2)CC1 ZINC001204146508 1034540579 /nfs/dbraw/zinc/54/05/79/1034540579.db2.gz VSOPRTIHSYDTRZ-FQEVSTJZSA-N 0 3 311.473 3.839 20 30 DHEDHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1Br ZINC000481376742 1034789323 /nfs/dbraw/zinc/78/93/23/1034789323.db2.gz XERHBAUKLKQOEY-IAQYHMDHSA-N 0 3 307.235 3.941 20 30 DHEDHN N#CCc1cccc2c1CCN(Cc1ccc3[nH]ccc3c1)C2 ZINC000600212761 1034807177 /nfs/dbraw/zinc/80/71/77/1034807177.db2.gz IQHIPJBOCAWVBI-UHFFFAOYSA-N 0 3 301.393 3.792 20 30 DHEDHN CCC#C[C@H](C)N1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001175267745 1034913442 /nfs/dbraw/zinc/91/34/42/1034913442.db2.gz KDZGFYCYAYRVSV-JKSUJKDBSA-N 0 3 308.466 3.558 20 30 DHEDHN COc1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)cc1C#N ZINC000556025826 1035015879 /nfs/dbraw/zinc/01/58/79/1035015879.db2.gz VKKWZBFJFYWGLN-MRXNPFEDSA-N 0 3 310.372 3.695 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C#N)cc1 ZINC000159826251 1035092240 /nfs/dbraw/zinc/09/22/40/1035092240.db2.gz QDLBHQUZDRZMTI-CABCVRRESA-N 0 3 317.396 3.551 20 30 DHEDHN C#Cc1cccc(Nc2ccc(N3CCN(CC)CC3)cc2)c1 ZINC001175781479 1035119375 /nfs/dbraw/zinc/11/93/75/1035119375.db2.gz UXIYSKBFYAKOGO-UHFFFAOYSA-N 0 3 305.425 3.553 20 30 DHEDHN CCN1CCN(c2ccc(Nc3ccccc3CC#N)cc2)CC1 ZINC001175781461 1035119812 /nfs/dbraw/zinc/11/98/12/1035119812.db2.gz IHSNPBQZNWDDRZ-UHFFFAOYSA-N 0 3 320.440 3.638 20 30 DHEDHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC(C)(C)C1 ZINC000483101906 1035226043 /nfs/dbraw/zinc/22/60/43/1035226043.db2.gz JGTYCGDMQYNILK-AWEZNQCLSA-N 0 3 319.836 3.661 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](CCCO)c2ccccc2)cc1 ZINC000160751506 1035227610 /nfs/dbraw/zinc/22/76/10/1035227610.db2.gz IMXQTPUKVIAXQD-UTKZUKDTSA-N 0 3 323.436 3.863 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(OCC2CC2)cc1 ZINC000483171992 1035237205 /nfs/dbraw/zinc/23/72/05/1035237205.db2.gz DSWBYJQKPOKRIE-UHFFFAOYSA-N 0 3 306.409 3.979 20 30 DHEDHN C[C@@H](C#N)OCCN1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176665869 1035310492 /nfs/dbraw/zinc/31/04/92/1035310492.db2.gz ZOTLFIYRMMACQE-SWLSCSKDSA-N 0 3 312.866 3.727 20 30 DHEDHN C=CCN(CC(=O)NCc1ccc(F)cc1)CC1CCCCC1 ZINC000484489621 1035340738 /nfs/dbraw/zinc/34/07/38/1035340738.db2.gz NZXRJOKXMDMADB-UHFFFAOYSA-N 0 3 318.436 3.510 20 30 DHEDHN C=CCN(CC=C)Cc1ccc(Br)c2nsnc21 ZINC001249718420 1035355114 /nfs/dbraw/zinc/35/51/14/1035355114.db2.gz ZAARGHCTNOYOPB-UHFFFAOYSA-N 0 3 324.247 3.628 20 30 DHEDHN C[C@H](CNCc1csc(C#N)c1)c1nc(-c2ccccc2)no1 ZINC001178365346 1035425811 /nfs/dbraw/zinc/42/58/11/1035425811.db2.gz FKVRONLFCLVESB-GFCCVEGCSA-N 0 3 324.409 3.563 20 30 DHEDHN C=CCNCc1cc(-c2ccncc2OCOCC)ccc1F ZINC000904882158 1035463325 /nfs/dbraw/zinc/46/33/25/1035463325.db2.gz YJWUTEUEGIZLNK-UHFFFAOYSA-N 0 3 316.376 3.536 20 30 DHEDHN C#CC(C)(C)N(C)Cc1cc(Cl)cc(Br)c1 ZINC001193363617 1035619097 /nfs/dbraw/zinc/61/90/97/1035619097.db2.gz HYRDJWYLKCOUOY-UHFFFAOYSA-N 0 3 300.627 3.946 20 30 DHEDHN CCN(Cc1csc(C#N)c1)[C@@H](COC)Cc1ccccc1 ZINC001180219718 1035624104 /nfs/dbraw/zinc/62/41/04/1035624104.db2.gz UESOGVHQWANNJK-QGZVFWFLSA-N 0 3 314.454 3.699 20 30 DHEDHN COC(=O)CC[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000925377076 1035695090 /nfs/dbraw/zinc/69/50/90/1035695090.db2.gz CUQPXTAOFBFOMR-GDBMZVCRSA-N 0 3 302.418 3.599 20 30 DHEDHN CC(C)C[C@@H](C)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001193898031 1035763538 /nfs/dbraw/zinc/76/35/38/1035763538.db2.gz HVJZRODVHUEPNB-CQSZACIVSA-N 0 3 305.853 3.768 20 30 DHEDHN CCCC[C@@H](CC)COC(=O)N1CCC2SC(=O)C=C2C1 ZINC001193952637 1035772483 /nfs/dbraw/zinc/77/24/83/1035772483.db2.gz FJJHKDNJKKCWPK-OCCSQVGLSA-N 0 3 311.447 3.614 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000540592719 1036108943 /nfs/dbraw/zinc/10/89/43/1036108943.db2.gz QTNXZETXXZGIDL-DNVCBOLYSA-N 0 3 314.473 3.617 20 30 DHEDHN N#Cc1cccc([C@@H](O)CN(Cc2ccccc2F)CC2CC2)c1 ZINC001196238841 1036489692 /nfs/dbraw/zinc/48/96/92/1036489692.db2.gz WBACZLPUKNUFOH-FQEVSTJZSA-N 0 3 324.399 3.643 20 30 DHEDHN Cn1cnc2cc(CN(Cc3ccc(C#N)cc3)C3CC3)ccc21 ZINC000271722426 1036500572 /nfs/dbraw/zinc/50/05/72/1036500572.db2.gz KLXQRCQBGWGSLY-UHFFFAOYSA-N 0 3 316.408 3.610 20 30 DHEDHN Clc1cccc(C#CCN2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC001196480597 1036543333 /nfs/dbraw/zinc/54/33/33/1036543333.db2.gz WSECFMGZBRJFEV-KDURUIRLSA-N 0 3 315.844 3.584 20 30 DHEDHN C[C@H](NCc1ccc(N2CCCCC2)nc1)c1cccc(C#N)c1 ZINC000271854334 1036593178 /nfs/dbraw/zinc/59/31/78/1036593178.db2.gz JACPZNPMBZNCEZ-INIZCTEOSA-N 0 3 320.440 3.794 20 30 DHEDHN CCCCCCCCN1CCN(Cc2ccc(O)cc2)CC1 ZINC001197115564 1036690688 /nfs/dbraw/zinc/69/06/88/1036690688.db2.gz MFGKOGRNRGOKQR-UHFFFAOYSA-N 0 3 304.478 3.870 20 30 DHEDHN COC(=O)Nc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000495611305 1036774977 /nfs/dbraw/zinc/77/49/77/1036774977.db2.gz GTSFWUSUDQLLMN-ZDUSSCGKSA-N 0 3 309.369 3.587 20 30 DHEDHN CC[C@@H]1C[C@H](C)CN1Cc1cc(C#N)ccc1Br ZINC000492634502 1036950942 /nfs/dbraw/zinc/95/09/42/1036950942.db2.gz XGVIMUMRFCUTEM-SMDDNHRTSA-N 0 3 307.235 3.941 20 30 DHEDHN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1ccc(C#N)s1 ZINC000272072765 1036964203 /nfs/dbraw/zinc/96/42/03/1036964203.db2.gz PRAPMRDHEGMESN-BDJLRTHQSA-N 0 3 304.390 3.625 20 30 DHEDHN N#Cc1cc(Cl)cc(CN2CCCSC[C@@H]2C2CC2)c1 ZINC001198279164 1036989058 /nfs/dbraw/zinc/98/90/58/1036989058.db2.gz PHBDDMKBSDIEFA-MRXNPFEDSA-N 0 3 306.862 3.929 20 30 DHEDHN C=C(C)CN(CC)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000488609111 1037092230 /nfs/dbraw/zinc/09/22/30/1037092230.db2.gz HTHNNALZHSZKQZ-QGZVFWFLSA-N 0 3 302.462 3.710 20 30 DHEDHN Cn1cccc1[C@@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000175144653 1037093256 /nfs/dbraw/zinc/09/32/56/1037093256.db2.gz AHPMSPIGKWPLQF-IBGZPJMESA-N 0 3 309.413 3.503 20 30 DHEDHN CCOc1cc(CNCc2ccc(C#N)cc2)cc(Cl)c1O ZINC000915682018 1037132175 /nfs/dbraw/zinc/13/21/75/1037132175.db2.gz OXGJKOAPNOBONB-UHFFFAOYSA-N 0 3 316.788 3.606 20 30 DHEDHN N#Cc1ccc([C@@H](O)CNCc2ccc(-c3ccccc3)o2)cc1 ZINC000763236074 1037521568 /nfs/dbraw/zinc/52/15/68/1037521568.db2.gz PVHQROTWFKTFNP-IBGZPJMESA-N 0 3 318.376 3.641 20 30 DHEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccccc1C(F)(F)F ZINC000776183346 1037657005 /nfs/dbraw/zinc/65/70/05/1037657005.db2.gz LGLKKYBBFRKGLB-UHFFFAOYSA-N 0 3 308.307 3.612 20 30 DHEDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(C#N)cc3F)cccc21 ZINC001201573737 1037788585 /nfs/dbraw/zinc/78/85/85/1037788585.db2.gz CGVOGGSDGFGHRW-QGZVFWFLSA-N 0 3 311.360 3.826 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2OCC(F)(F)F)C1 ZINC000185792837 1037840968 /nfs/dbraw/zinc/84/09/68/1037840968.db2.gz FLKDWQNIAUTOCW-OCCSQVGLSA-N 0 3 312.335 3.800 20 30 DHEDHN CCCCCCCN1Cc2cnn(CC)c2[C@H](COCC)C1 ZINC001201762183 1037884816 /nfs/dbraw/zinc/88/48/16/1037884816.db2.gz ATPPNKATLCWXAJ-KRWDZBQOSA-N 0 3 307.482 3.809 20 30 DHEDHN CCCCCCCCN1CCc2ncc(C(=O)OC)cc2C1 ZINC001201839471 1037918706 /nfs/dbraw/zinc/91/87/06/1037918706.db2.gz FFDBEVPXGVIILJ-UHFFFAOYSA-N 0 3 304.434 3.587 20 30 DHEDHN C=C(C)COCCNCc1cc(Cl)ccc1OC(F)F ZINC000125772877 1037956251 /nfs/dbraw/zinc/95/62/51/1037956251.db2.gz GVFZAYCZJVEOSS-UHFFFAOYSA-N 0 3 305.752 3.624 20 30 DHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1-n1ccnn1 ZINC000586790253 1037970092 /nfs/dbraw/zinc/97/00/92/1037970092.db2.gz BZLTZGQBDQITAI-LSDHHAIUSA-N 0 3 317.396 3.551 20 30 DHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000586793830 1037975046 /nfs/dbraw/zinc/97/50/46/1037975046.db2.gz DROLYFXSPZDBTO-BZNIZROVSA-N 0 3 319.364 3.743 20 30 DHEDHN N#CC(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000916844401 1037996185 /nfs/dbraw/zinc/99/61/85/1037996185.db2.gz FQOWJNCKUNNKPL-SOUVJXGZSA-N 0 3 319.339 3.682 20 30 DHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000916876119 1038018524 /nfs/dbraw/zinc/01/85/24/1038018524.db2.gz PGVHLDBHAXZJOJ-OAGGEKHMSA-N 0 3 318.461 3.630 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc(Cl)s2)nc(C)n1 ZINC000916880458 1038022295 /nfs/dbraw/zinc/02/22/95/1038022295.db2.gz SFJJBDCJZJUJGM-KTLBGCOUSA-N 0 3 317.801 3.698 20 30 DHEDHN C=C(C)c1cccc(C(C)(C)NC(=O)N(CC)CCN(C)C)c1 ZINC001189251890 1038100254 /nfs/dbraw/zinc/10/02/54/1038100254.db2.gz NWROTZBPUXJBPB-UHFFFAOYSA-N 0 3 317.477 3.548 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000106478515 1038103687 /nfs/dbraw/zinc/10/36/87/1038103687.db2.gz VHYJJFBYNPCQGL-YJYMSZOUSA-N 0 3 310.372 3.894 20 30 DHEDHN Cc1ccc(C)c(C(C)N=Nc2cccc(S(C)(=O)=O)c2)c1 ZINC000776261615 1038132050 /nfs/dbraw/zinc/13/20/50/1038132050.db2.gz OLKAHJTVWWDEPD-UHFFFAOYSA-N 0 3 316.426 3.543 20 30 DHEDHN C#CCN(C[C@H]1CCC2(CCC2)CO1)[C@H]1CCc2ccccc21 ZINC001190526459 1038335154 /nfs/dbraw/zinc/33/51/54/1038335154.db2.gz AFCDRJOFCXOFLW-QUCCMNQESA-N 0 3 309.453 3.958 20 30 DHEDHN N#Cc1cccc(-c2nnc(CN3CC[C@H](C4CCCC4)C3)o2)c1 ZINC000572472667 1038383022 /nfs/dbraw/zinc/38/30/22/1038383022.db2.gz UOHYUNOMJRUAND-KRWDZBQOSA-N 0 3 322.412 3.620 20 30 DHEDHN N#Cc1cccc(CN[C@@H](c2ccccc2)C2CCOCC2)c1F ZINC000775437938 1038440439 /nfs/dbraw/zinc/44/04/39/1038440439.db2.gz PGZCCUVZYRHSHQ-FQEVSTJZSA-N 0 3 324.399 3.955 20 30 DHEDHN Cc1cc(C#N)ccc1CN[C@@H](c1ccccc1)C(C)(C)CO ZINC000589262057 1038455234 /nfs/dbraw/zinc/45/52/34/1038455234.db2.gz NOSGUJKIWOZJNJ-IBGZPJMESA-N 0 3 308.425 3.716 20 30 DHEDHN C=CCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589344219 1038461762 /nfs/dbraw/zinc/46/17/62/1038461762.db2.gz OAMXRMPTRHYMPK-HXUWFJFHSA-N 0 3 304.393 3.900 20 30 DHEDHN CCO[C@H]1C[C@H](N(C)Cc2cncc(C#N)c2)C12CCCCC2 ZINC001191320706 1038489382 /nfs/dbraw/zinc/48/93/82/1038489382.db2.gz VUAIYONYSRAJAR-ROUUACIJSA-N 0 3 313.445 3.513 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001192653155 1038686781 /nfs/dbraw/zinc/68/67/81/1038686781.db2.gz MJNAPTNXSXJTCG-LSDHHAIUSA-N 0 3 317.351 3.810 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC001192947271 1038717487 /nfs/dbraw/zinc/71/74/87/1038717487.db2.gz NMMKAFSHJKQNPS-FQEVSTJZSA-N 0 3 322.452 3.997 20 30 DHEDHN CC[C@H](OCCNCc1ccc(C#N)s1)c1ccccc1 ZINC000593664121 1038995790 /nfs/dbraw/zinc/99/57/90/1038995790.db2.gz GBRDFNZKRCXUQI-KRWDZBQOSA-N 0 3 300.427 3.877 20 30 DHEDHN C[C@]1(Cc2ccccc2F)CCCN1Cc1ccnc(C#N)c1 ZINC000592143777 1039137597 /nfs/dbraw/zinc/13/75/97/1039137597.db2.gz NAOPZGSOAKHBEM-LJQANCHMSA-N 0 3 309.388 3.690 20 30 DHEDHN COc1ccc(CN(Cc2ccc(C)nc2)CC2CC2)cc1C#N ZINC000592147067 1039142551 /nfs/dbraw/zinc/14/25/51/1039142551.db2.gz ZSFWJZWVQVUJDP-UHFFFAOYSA-N 0 3 321.424 3.683 20 30 DHEDHN C[C@H]1CC2(CN1Cc1ccc(C#N)cc1Cl)CCOCC2 ZINC000592183380 1039171651 /nfs/dbraw/zinc/17/16/51/1039171651.db2.gz IBEKZNAXHPRGDZ-ZDUSSCGKSA-N 0 3 304.821 3.603 20 30 DHEDHN C=CCC1(NCc2nnc(-c3cccc(C#N)c3)o2)CCCCC1 ZINC000599611353 1039233926 /nfs/dbraw/zinc/23/39/26/1039233926.db2.gz ZGLIOHDCXCYRPY-UHFFFAOYSA-N 0 3 322.412 3.977 20 30 DHEDHN COc1ccc([C@@H]2CCN(Cc3cccc(C#N)c3)C2)cc1F ZINC000599679793 1039265094 /nfs/dbraw/zinc/26/50/94/1039265094.db2.gz PBMDXNFJHDZFDI-QGZVFWFLSA-N 0 3 310.372 3.695 20 30 DHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](CC)c1ccccc1 ZINC000171480821 1039496167 /nfs/dbraw/zinc/49/61/67/1039496167.db2.gz GXTJGHMWBHRQPO-NVXWUHKLSA-N 0 3 314.429 3.586 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000172116925 1039744405 /nfs/dbraw/zinc/74/44/05/1039744405.db2.gz BKZONHINIYPZJE-RTWAWAEBSA-N 0 3 321.420 3.709 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000594430284 1039784244 /nfs/dbraw/zinc/78/42/44/1039784244.db2.gz YPKABGRKNFNGHW-OAHLLOKOSA-N 0 3 313.426 3.765 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000594427132 1039794192 /nfs/dbraw/zinc/79/41/92/1039794192.db2.gz HIDFFSFVXGWYGY-ZWKOTPCHSA-N 0 3 313.445 3.542 20 30 DHEDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(C#N)c1 ZINC000594495471 1039797769 /nfs/dbraw/zinc/79/77/69/1039797769.db2.gz ACCDVAUWGKTSSV-SJCJKPOMSA-N 0 3 307.353 3.805 20 30 DHEDHN COc1cc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)ccn1 ZINC000594517254 1039825590 /nfs/dbraw/zinc/82/55/90/1039825590.db2.gz JTSAPAWENBKBRB-AWEZNQCLSA-N 0 3 307.397 3.692 20 30 DHEDHN COc1cc(CNC2(c3ccc(C#N)cc3)CCC2)ccc1C#N ZINC000594522581 1039830194 /nfs/dbraw/zinc/83/01/94/1039830194.db2.gz ZVPAEHSHEAMFJX-UHFFFAOYSA-N 0 3 317.392 3.608 20 30 DHEDHN CCc1ccc([C@H]2CCCN(Cc3ccc(C#N)cn3)C2)cc1 ZINC000593987393 1039898859 /nfs/dbraw/zinc/89/88/59/1039898859.db2.gz RQSFVCHLZWUEEY-IBGZPJMESA-N 0 3 305.425 3.895 20 30 DHEDHN COc1cc(CNCc2ccc(C3(C#N)CC3)cc2)ccc1C ZINC000594917050 1039927676 /nfs/dbraw/zinc/92/76/76/1039927676.db2.gz GDZSKKLOHFRJMU-UHFFFAOYSA-N 0 3 306.409 3.849 20 30 DHEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCC2)ccc1C#N ZINC000594033063 1039972412 /nfs/dbraw/zinc/97/24/12/1039972412.db2.gz GPKWRTSKIZWJTL-UHFFFAOYSA-N 0 3 301.393 3.907 20 30 DHEDHN C[C@H](O)[C@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000595005671 1040017671 /nfs/dbraw/zinc/01/76/71/1040017671.db2.gz CNQRACQVEMRYDK-JXFKEZNVSA-N 0 3 324.424 3.581 20 30 DHEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595105372 1040066834 /nfs/dbraw/zinc/06/68/34/1040066834.db2.gz FPPHXNPTXJVIFT-NWDGAFQWSA-N 0 3 318.398 3.521 20 30 DHEDHN Cc1cc(Br)c(CN[C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000595080355 1040072184 /nfs/dbraw/zinc/07/21/84/1040072184.db2.gz KRDJHLBNRLLLKV-GHMZBOCLSA-N 0 3 313.264 3.991 20 30 DHEDHN COCC[C@@H](Cc1cccc(F)c1)NCC1(C#N)CCCCC1 ZINC000595090047 1040076185 /nfs/dbraw/zinc/07/61/85/1040076185.db2.gz BWJMQWOFQNWTIY-SFHVURJKSA-N 0 3 318.436 3.837 20 30 DHEDHN CC(C)[C@H](O)[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000595097553 1040081721 /nfs/dbraw/zinc/08/17/21/1040081721.db2.gz XDWWBRGIZBPMMR-ACRUOGEOSA-N 0 3 320.436 3.893 20 30 DHEDHN CC(C)[C@H](O)[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000595097555 1040082879 /nfs/dbraw/zinc/08/28/79/1040082879.db2.gz XDWWBRGIZBPMMR-HKBOAZHASA-N 0 3 320.436 3.893 20 30 DHEDHN Cc1cc(C)n(-c2ccc(CN3CCC[C@H](CC#N)C3)cc2)n1 ZINC000595619981 1040191842 /nfs/dbraw/zinc/19/18/42/1040191842.db2.gz IKZSAGPRGMXIFZ-QGZVFWFLSA-N 0 3 308.429 3.615 20 30 DHEDHN CC(C)(C#N)CCN(Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000595638788 1040198455 /nfs/dbraw/zinc/19/84/55/1040198455.db2.gz VPPJYRRGPAQHTC-QGZVFWFLSA-N 0 3 300.446 3.996 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595822429 1040247859 /nfs/dbraw/zinc/24/78/59/1040247859.db2.gz ULTODKNRLKNKBS-UHFFFAOYSA-N 0 3 324.468 3.879 20 30 DHEDHN N#Cc1ccc(CN2CCC3(C=Cc4ccccc4O3)CC2)cc1 ZINC000595877585 1040280822 /nfs/dbraw/zinc/28/08/22/1040280822.db2.gz JFDFQBNQQKIUCP-UHFFFAOYSA-N 0 3 316.404 3.999 20 30 DHEDHN N#CC1(c2ccc(CN3CC4(CCC4)[C@H]3[C@H]3CCCO3)cc2)CC1 ZINC000597133468 1040661252 /nfs/dbraw/zinc/66/12/52/1040661252.db2.gz SQYFQCPWNYTORU-RTBURBONSA-N 0 3 322.452 3.775 20 30 DHEDHN C=CCCSCC[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000597185206 1040683396 /nfs/dbraw/zinc/68/33/96/1040683396.db2.gz UKJHYBJNIWEFJU-UHFFFAOYSA-N 0 3 315.866 3.843 20 30 DHEDHN COc1cccc(CN(Cc2cccc(C#N)n2)CC(C)C)c1 ZINC000602445140 1041036623 /nfs/dbraw/zinc/03/66/23/1041036623.db2.gz REGASRZAUPQLIS-UHFFFAOYSA-N 0 3 309.413 3.620 20 30 DHEDHN C[C@H](CCC#N)CN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000602488028 1041057977 /nfs/dbraw/zinc/05/79/77/1041057977.db2.gz YNCMYQDGCYTSEQ-UTLUCORTSA-N 0 3 302.262 3.599 20 30 DHEDHN Cc1ccc(CN2CCSCC2)cc1NC[C@H](C)CCC#N ZINC000602489946 1041057298 /nfs/dbraw/zinc/05/72/98/1041057298.db2.gz GDHJBTKULZRULJ-OAHLLOKOSA-N 0 3 317.502 3.896 20 30 DHEDHN N#CCC1(CN(CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000602786498 1041211869 /nfs/dbraw/zinc/21/18/69/1041211869.db2.gz GJGFKIDWHBZFOZ-UHFFFAOYSA-N 0 3 323.415 3.959 20 30 DHEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(Cl)c1Cl ZINC000598603463 1041347411 /nfs/dbraw/zinc/34/74/11/1041347411.db2.gz UCNDFXNFUFROBK-WDEREUQCSA-N 0 3 315.244 3.945 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000598587119 1041347553 /nfs/dbraw/zinc/34/75/53/1041347553.db2.gz NCNJTPHBPZIINH-CVEARBPZSA-N 0 3 306.837 3.778 20 30 DHEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC000598594053 1041354991 /nfs/dbraw/zinc/35/49/91/1041354991.db2.gz FMVUNICVGPXFEY-PWSUYJOCSA-N 0 3 315.244 3.945 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CN1CC=C(c2cccc(Cl)c2)CC1 ZINC000598612561 1041358648 /nfs/dbraw/zinc/35/86/48/1041358648.db2.gz XGMVTVHCEIORCH-QGZVFWFLSA-N 0 3 318.848 3.730 20 30 DHEDHN C=C(C)CN1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000132094652 334938322 /nfs/dbraw/zinc/93/83/22/334938322.db2.gz QSKXLGCYNZZSGZ-UHFFFAOYSA-N 0 3 306.475 3.641 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)CC[C@@H](C)c2ccccc2)CC1 ZINC000132901025 334947893 /nfs/dbraw/zinc/94/78/93/334947893.db2.gz DUCGPBOFIGKTIJ-QGZVFWFLSA-N 0 3 314.473 3.727 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nc2c(s1)CCCC2 ZINC000280807485 334971112 /nfs/dbraw/zinc/97/11/12/334971112.db2.gz LNCUXHSJBBBCLM-IOASZLSFSA-N 0 3 306.475 3.654 20 30 DHEDHN C=CC[C@H](CC)NC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000281254207 334978768 /nfs/dbraw/zinc/97/87/68/334978768.db2.gz GJUBNUQQVGQDAF-SFHVURJKSA-N 0 3 317.477 3.634 20 30 DHEDHN C=C(C)[C@@H](NCCc1ccnn1CC)c1ccc(F)c(F)c1 ZINC000283065219 335002041 /nfs/dbraw/zinc/00/20/41/335002041.db2.gz KCIPNTLRTFESBI-QGZVFWFLSA-N 0 3 305.372 3.631 20 30 DHEDHN C#CCOc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000191659831 335005173 /nfs/dbraw/zinc/00/51/73/335005173.db2.gz POPOIWJFTQORNI-IBGZPJMESA-N 0 3 307.393 3.571 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)s1 ZINC000563821286 335029318 /nfs/dbraw/zinc/02/93/18/335029318.db2.gz QGVZLCLWBRPXOE-BBWFWOEESA-N 0 3 304.459 3.525 20 30 DHEDHN C=CCCCCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000563821014 335029421 /nfs/dbraw/zinc/02/94/21/335029421.db2.gz NHQAGAXJQVTWTN-UHFFFAOYSA-N 0 3 314.473 3.761 20 30 DHEDHN C=CCC[C@@H](NC[C@H](O)c1ccccc1OC)c1ccco1 ZINC000285980815 335031349 /nfs/dbraw/zinc/03/13/49/335031349.db2.gz HPFBXMUTMDEFOE-CVEARBPZSA-N 0 3 301.386 3.619 20 30 DHEDHN C=CCC[C@H](NCCC(=O)N1CCCCCC1)c1ccco1 ZINC000286003616 335031723 /nfs/dbraw/zinc/03/17/23/335031723.db2.gz IUMRMISWDGYBJX-INIZCTEOSA-N 0 3 304.434 3.669 20 30 DHEDHN C=CCC[C@@H](NCC1(C(=O)N(C)C)CCCC1)c1ccco1 ZINC000286041428 335032113 /nfs/dbraw/zinc/03/21/13/335032113.db2.gz KODKJLQHHVOWNH-OAHLLOKOSA-N 0 3 304.434 3.525 20 30 DHEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000192621619 335036817 /nfs/dbraw/zinc/03/68/17/335036817.db2.gz JDKSGVYBXPJGKG-MLGOLLRUSA-N 0 3 319.836 3.661 20 30 DHEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000289345652 335058211 /nfs/dbraw/zinc/05/82/11/335058211.db2.gz WVCJHGQQLWQGRR-HNNXBMFYSA-N 0 3 318.420 3.867 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)c1cccc(F)c1 ZINC000271977506 129986524 /nfs/dbraw/zinc/98/65/24/129986524.db2.gz WDLSYUIYTHJYQJ-VNBZBWLYSA-N 0 3 316.351 3.609 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)cc2)c(C)c1OC ZINC000285511052 131175539 /nfs/dbraw/zinc/17/55/39/131175539.db2.gz DIANPHHQQSVQMB-CQSZACIVSA-N 0 3 310.397 3.735 20 30 DHEDHN C=C[C@H](CO)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000289766051 335065174 /nfs/dbraw/zinc/06/51/74/335065174.db2.gz LYDLGLABJLXOLR-IINYFYTJSA-N 0 3 322.861 3.969 20 30 DHEDHN C=CCC[C@H](NCc1cnn(CC(F)F)c1)c1ccccc1 ZINC000292617490 335092027 /nfs/dbraw/zinc/09/20/27/335092027.db2.gz INCJXNHHYMZRSO-INIZCTEOSA-N 0 3 305.372 3.945 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000464569144 332863657 /nfs/dbraw/zinc/86/36/57/332863657.db2.gz MKAUUZSUCZUYDG-FUHWJXTLSA-N 0 3 302.462 3.788 20 30 DHEDHN C=CC[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000116927260 331467405 /nfs/dbraw/zinc/46/74/05/331467405.db2.gz RIAWZDGQKSCGHI-NSHDSACASA-N 0 3 303.387 3.773 20 30 DHEDHN CC1(C)C[C@H](NCc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000556602192 331719785 /nfs/dbraw/zinc/71/97/85/331719785.db2.gz UIYPUIDQDQKTMV-SFHVURJKSA-N 0 3 316.408 3.718 20 30 DHEDHN C[C@H](NCCOc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000539495425 331745128 /nfs/dbraw/zinc/74/51/28/331745128.db2.gz QMQYKSPXVYXRQK-ZDUSSCGKSA-N 0 3 300.789 3.941 20 30 DHEDHN C[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(Br)cn1 ZINC000449301816 332016369 /nfs/dbraw/zinc/01/63/69/332016369.db2.gz SIUDPYRXCITEKE-NUYPLMSZSA-N 0 3 322.250 3.967 20 30 DHEDHN C=CCC[C@@H](O)CN1CC=C(c2ccc(OCC)cc2)CC1 ZINC000091813471 332088527 /nfs/dbraw/zinc/08/85/27/332088527.db2.gz UBARLYATNRQROL-GOSISDBHSA-N 0 3 301.430 3.502 20 30 DHEDHN COC[C@H](Cc1ccccc1)N[C@@H](CCC#N)c1ccccc1 ZINC000090665500 332092462 /nfs/dbraw/zinc/09/24/62/332092462.db2.gz QWMZVERBIBLTFU-PMACEKPBSA-N 0 3 308.425 3.879 20 30 DHEDHN C=CCN1CC[C@H](N(C)Cc2ccccc2-c2ccccc2)C1=O ZINC000410346950 332114617 /nfs/dbraw/zinc/11/46/17/332114617.db2.gz YDWIPTAUAAQQJL-FQEVSTJZSA-N 0 3 320.436 3.572 20 30 DHEDHN COc1cc(CN[C@H]2CCc3ccc(Cl)cc32)ccc1C#N ZINC000569513662 332117717 /nfs/dbraw/zinc/11/77/17/332117717.db2.gz NANKJQDDKCCOQI-KRWDZBQOSA-N 0 3 312.800 3.997 20 30 DHEDHN C=CCCCN[C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000448027279 332197798 /nfs/dbraw/zinc/19/77/98/332197798.db2.gz MIORHMNOCUXYIL-LBPRGKRZSA-N 0 3 304.825 3.846 20 30 DHEDHN CC1(C)CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCC[C@H]21 ZINC000559427736 332257865 /nfs/dbraw/zinc/25/78/65/332257865.db2.gz VSEBLBDJSSZGIB-CVEARBPZSA-N 0 3 322.412 3.619 20 30 DHEDHN C=CCCCNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000560025875 332303223 /nfs/dbraw/zinc/30/32/23/332303223.db2.gz UTTDJPLJUVEUMA-UHFFFAOYSA-N 0 3 311.216 3.630 20 30 DHEDHN C=CCC[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccco1 ZINC000560536033 332354172 /nfs/dbraw/zinc/35/41/72/332354172.db2.gz HLXVFNHKHXLSQR-IAGOWNOFSA-N 0 3 303.377 3.619 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000185030563 335108432 /nfs/dbraw/zinc/10/84/32/335108432.db2.gz FPTWJPGDWHZBFX-HUUCEWRRSA-N 0 3 306.475 3.604 20 30 DHEDHN C[C@@H](NC[C@H]1CCC[C@@H](CO)C1)c1ccc(C#N)cc1Cl ZINC000569997719 332700195 /nfs/dbraw/zinc/70/01/95/332700195.db2.gz ZXCIZODKRVQZNC-VHDGCEQUSA-N 0 3 306.837 3.661 20 30 DHEDHN N#CCC[C@@H](C#N)CNC(Cc1ccccc1)Cc1ccccc1 ZINC000567681368 332736135 /nfs/dbraw/zinc/73/61/35/332736135.db2.gz QLCALIPWKVQRQJ-FQEVSTJZSA-N 0 3 317.436 3.874 20 30 DHEDHN C=CCC[C@H](NCc1ccc2c(c1)NC(=O)CO2)c1ccccc1 ZINC000293671543 335114912 /nfs/dbraw/zinc/11/49/12/335114912.db2.gz QOQUYTUDNAMQDL-KRWDZBQOSA-N 0 3 322.408 3.815 20 30 DHEDHN CN(C)[C@@H](CNc1cccc(Cl)c1C#N)c1cccs1 ZINC000514485455 333138521 /nfs/dbraw/zinc/13/85/21/333138521.db2.gz XQIOCVUXANYGHQ-AWEZNQCLSA-N 0 3 305.834 3.988 20 30 DHEDHN CCOc1ccccc1N1CCN(CC(C)(C)CCC#N)CC1 ZINC000179515458 333151728 /nfs/dbraw/zinc/15/17/28/333151728.db2.gz ZXYGOHIGTZNDJC-UHFFFAOYSA-N 0 3 315.461 3.537 20 30 DHEDHN CCc1nc(C)c([C@@H](C)NCc2ccc(OCC#N)cc2)s1 ZINC000180547694 333162910 /nfs/dbraw/zinc/16/29/10/333162910.db2.gz JBPAWYLRLRGYNL-GFCCVEGCSA-N 0 3 315.442 3.767 20 30 DHEDHN CCOc1cccc([C@H](C)NCCOc2cccc(C#N)c2)c1 ZINC000180716007 333164488 /nfs/dbraw/zinc/16/44/88/333164488.db2.gz PWFVEYDRQKEMQK-HNNXBMFYSA-N 0 3 310.397 3.687 20 30 DHEDHN CO[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000181551639 333170287 /nfs/dbraw/zinc/17/02/87/333170287.db2.gz MSYAJGCWKLYWCE-HNAYVOBHSA-N 0 3 310.397 3.627 20 30 DHEDHN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H](CCC#N)c1ccccc1 ZINC000183915683 333189548 /nfs/dbraw/zinc/18/95/48/333189548.db2.gz XPSDVVMKBNOSTA-HOCLYGCPSA-N 0 3 302.418 3.741 20 30 DHEDHN CC(C)OCCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000184161364 333192852 /nfs/dbraw/zinc/19/28/52/333192852.db2.gz KKASECWJJOVNKY-UHFFFAOYSA-N 0 3 324.424 3.652 20 30 DHEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cc(C)ccn1)C(C)C ZINC000517046494 333215996 /nfs/dbraw/zinc/21/59/96/333215996.db2.gz ZRLSXTGKDAFFQP-MJGOQNOKSA-N 0 3 301.478 3.739 20 30 DHEDHN CC[C@H](CC#N)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000497226238 333224099 /nfs/dbraw/zinc/22/40/99/333224099.db2.gz JUWVILQREWWHHM-BZUAXINKSA-N 0 3 323.481 3.599 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000192683989 333291322 /nfs/dbraw/zinc/29/13/22/333291322.db2.gz FKNNXGCCLLJIIE-SJLPKXTDSA-N 0 3 312.461 3.634 20 30 DHEDHN COc1cc(F)c([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000192864109 333294331 /nfs/dbraw/zinc/29/43/31/333294331.db2.gz QRRGQNLFTVOVOF-RWMBFGLXSA-N 0 3 306.381 3.576 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000111208164 333327906 /nfs/dbraw/zinc/32/79/06/333327906.db2.gz WUMLMMGOQMKNST-UHFFFAOYSA-N 0 3 318.420 3.759 20 30 DHEDHN C=CC1CCN([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000111257586 333328137 /nfs/dbraw/zinc/32/81/37/333328137.db2.gz FDMBPKMNKQLHAH-GOEBONIOSA-N 0 3 318.486 3.698 20 30 DHEDHN Cc1ccn(C2CCN(Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000365157993 333355955 /nfs/dbraw/zinc/35/59/55/333355955.db2.gz AZKIYPKXXCWFFQ-UHFFFAOYSA-N 0 3 322.456 3.830 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCOC3(CCC3)C2)cc1 ZINC000295545976 335135789 /nfs/dbraw/zinc/13/57/89/335135789.db2.gz XWBJWBIKYQDNNF-INIZCTEOSA-N 0 3 323.358 3.748 20 30 DHEDHN N#Cc1ccc(CN[C@H](Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000563210583 333469308 /nfs/dbraw/zinc/46/93/08/333469308.db2.gz GDTHQTXTSGNDDU-GOSISDBHSA-N 0 3 321.380 3.577 20 30 DHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000320275902 333489619 /nfs/dbraw/zinc/48/96/19/333489619.db2.gz MZXPUDAHJGZWOD-JQWIXIFHSA-N 0 3 316.214 3.566 20 30 DHEDHN C[C@H](Nc1c(F)cc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000571054543 333496398 /nfs/dbraw/zinc/49/63/98/333496398.db2.gz SNDDNZGCVJUFCI-KPZWWZAWSA-N 0 3 315.367 3.940 20 30 DHEDHN N#CCCCOc1cccc(CNCCOC2CCCCC2)c1 ZINC000338955150 333503194 /nfs/dbraw/zinc/50/31/94/333503194.db2.gz DOPPMPLTKBYOAF-UHFFFAOYSA-N 0 3 316.445 3.808 20 30 DHEDHN C#CCOc1ccc(CN[C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000296402172 335144618 /nfs/dbraw/zinc/14/46/18/335144618.db2.gz KOVGEXBQASSOEO-HXUWFJFHSA-N 0 3 304.393 3.811 20 30 DHEDHN C=CCC1(CN[C@H](C)c2ncc(C(=O)OC)s2)CCCC1 ZINC000414152042 333903874 /nfs/dbraw/zinc/90/38/74/333903874.db2.gz QKHZLSOUQFNMQS-GFCCVEGCSA-N 0 3 308.447 3.717 20 30 DHEDHN CCOC(=O)[C@H]1CC[C@@H](NCC(C)(C)CC#N)c2ccccc21 ZINC000414175318 333908540 /nfs/dbraw/zinc/90/85/40/333908540.db2.gz ZAVBGORARONOHX-DLBZAZTESA-N 0 3 314.429 3.698 20 30 DHEDHN C=CCC[C@@H](C)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000414205326 333913763 /nfs/dbraw/zinc/91/37/63/333913763.db2.gz COPTXUGDSDTMMR-GFCCVEGCSA-N 0 3 315.866 3.578 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)c(C)c1 ZINC000414164046 333915934 /nfs/dbraw/zinc/91/59/34/333915934.db2.gz NYUOJTIDZMKRCZ-CQSZACIVSA-N 0 3 310.397 3.735 20 30 DHEDHN Cc1ccnc(NC[C@H](c2ccccc2)N2CCCC2)c1C#N ZINC000343503197 335170153 /nfs/dbraw/zinc/17/01/53/335170153.db2.gz AQJQAVLJCCLARZ-GOSISDBHSA-N 0 3 306.413 3.511 20 30 DHEDHN COC1([C@H](C)NCc2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000414530431 334009407 /nfs/dbraw/zinc/00/94/07/334009407.db2.gz XJSWVDNMYLQFJG-NSHDSACASA-N 0 3 312.335 3.624 20 30 DHEDHN C=CC[C@@H](Cc1ccccc1)NCc1cc(C(F)(F)F)n[nH]1 ZINC000414542292 334013914 /nfs/dbraw/zinc/01/39/14/334013914.db2.gz XPOVGQHOSVVRCK-ZDUSSCGKSA-N 0 3 309.335 3.706 20 30 DHEDHN CC(C)(C#N)CCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000270648801 334015258 /nfs/dbraw/zinc/01/52/58/334015258.db2.gz LIDSOVRSPJQOAC-KRWDZBQOSA-N 0 3 312.413 3.755 20 30 DHEDHN C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccc(OCC#N)cc1 ZINC000271900540 334028549 /nfs/dbraw/zinc/02/85/49/334028549.db2.gz VMIRZHLDRXDMFU-SCLBCKFNSA-N 0 3 308.381 3.633 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccc(OCC#N)cc1 ZINC000271900539 334028602 /nfs/dbraw/zinc/02/86/02/334028602.db2.gz VMIRZHLDRXDMFU-FZKQIMNGSA-N 0 3 308.381 3.633 20 30 DHEDHN COc1cccc(CN(CCC(C)(C)C#N)C[C@@H]2CCCO2)c1 ZINC000271996888 334029439 /nfs/dbraw/zinc/02/94/39/334029439.db2.gz GFZMWROLOOAKHQ-SFHVURJKSA-N 0 3 316.445 3.616 20 30 DHEDHN Cc1ccc2[nH]c([C@H]3CCCN(CCC(C)(C)C#N)C3)nc2c1 ZINC000272039067 334030071 /nfs/dbraw/zinc/03/00/71/334030071.db2.gz QNSZJEAOOZZPDK-HNNXBMFYSA-N 0 3 310.445 3.991 20 30 DHEDHN Cc1cccc(C)c1NC(=O)CCCN1CCC(C)(C#N)CC1 ZINC000272548185 334036928 /nfs/dbraw/zinc/03/69/28/334036928.db2.gz KKZLZPKYFSLNKU-UHFFFAOYSA-N 0 3 313.445 3.648 20 30 DHEDHN CC1(C#N)CCN(CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000272592714 334037935 /nfs/dbraw/zinc/03/79/35/334037935.db2.gz PSXIDZCBUDWJDD-UHFFFAOYSA-N 0 3 321.424 3.794 20 30 DHEDHN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCCCC#N ZINC000273039135 334042450 /nfs/dbraw/zinc/04/24/50/334042450.db2.gz IALRLTLUPYCYEU-UHFFFAOYSA-N 0 3 316.836 3.595 20 30 DHEDHN C[C@H](NCCCC#N)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000273173994 334043988 /nfs/dbraw/zinc/04/39/88/334043988.db2.gz COUDGSDJRBKRQT-GOEBONIOSA-N 0 3 320.408 3.728 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000274618390 334064115 /nfs/dbraw/zinc/06/41/15/334064115.db2.gz LSMOMBVYSWATQX-SUNKGSAMSA-N 0 3 321.218 3.555 20 30 DHEDHN COc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1Br ZINC000274635275 334064393 /nfs/dbraw/zinc/06/43/93/334064393.db2.gz PTGZFTNUGGFOJH-GVXVVHGQSA-N 0 3 323.234 3.801 20 30 DHEDHN CCOc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1OCC ZINC000274648300 334064440 /nfs/dbraw/zinc/06/44/40/334064440.db2.gz SHQWFDORIMYOFE-DZKIICNBSA-N 0 3 302.418 3.827 20 30 DHEDHN C[C@H](NCCCSCC#N)c1nc2ccccc2n1C(F)F ZINC000275497160 334071277 /nfs/dbraw/zinc/07/12/77/334071277.db2.gz UKRYTZRFZPPKQB-NSHDSACASA-N 0 3 324.400 3.729 20 30 DHEDHN CCn1nccc1C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000278891346 334103216 /nfs/dbraw/zinc/10/32/16/334103216.db2.gz OEVVLUNZLKBIFF-HNNXBMFYSA-N 0 3 308.429 3.715 20 30 DHEDHN Cc1ccc([C@@H](NCCCSCC#N)c2ccccn2)cc1 ZINC000279251838 334107151 /nfs/dbraw/zinc/10/71/51/334107151.db2.gz ADXNLDZZYGMIIN-GOSISDBHSA-N 0 3 311.454 3.716 20 30 DHEDHN CN(CCC1CCCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279430844 334108730 /nfs/dbraw/zinc/10/87/30/334108730.db2.gz DLUBZTVRYKDKOH-LJQANCHMSA-N 0 3 323.440 3.669 20 30 DHEDHN CC(C)CCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279564357 334110267 /nfs/dbraw/zinc/11/02/67/334110267.db2.gz XYMGPWMIFWWRPV-QAPCUYQASA-N 0 3 311.429 3.572 20 30 DHEDHN CC(C)CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000280089034 334114259 /nfs/dbraw/zinc/11/42/59/334114259.db2.gz OIKMOJVOOLWZFF-GOSISDBHSA-N 0 3 323.440 3.573 20 30 DHEDHN CCCC[C@@H](CCC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280632799 334118868 /nfs/dbraw/zinc/11/88/68/334118868.db2.gz YYLKPJQORHQISP-QZTJIDSGSA-N 0 3 311.429 3.716 20 30 DHEDHN CCCCCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280872334 334120892 /nfs/dbraw/zinc/12/08/92/334120892.db2.gz RHLZPUSYVGWFJX-QAPCUYQASA-N 0 3 311.429 3.716 20 30 DHEDHN N#CC1CCC(CNCc2cc(O)ccc2Br)CC1 ZINC000282052346 334130938 /nfs/dbraw/zinc/13/09/38/334130938.db2.gz BBXOMICXJUNMEC-UHFFFAOYSA-N 0 3 323.234 3.574 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000282198659 334132338 /nfs/dbraw/zinc/13/23/38/334132338.db2.gz GRMYRCNVYAYWAF-WJCKQCIISA-N 0 3 308.784 3.591 20 30 DHEDHN CC(C)CN1CCCC[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000439093649 334154156 /nfs/dbraw/zinc/15/41/56/334154156.db2.gz UBSFYCRYIAQYKW-CQSZACIVSA-N 0 3 306.841 3.529 20 30 DHEDHN COc1ccc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)c(C)c1OC ZINC000287053968 334156209 /nfs/dbraw/zinc/15/62/09/334156209.db2.gz NCLNMALIHFZDDV-RRFJBIMHSA-N 0 3 302.418 3.745 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289372204 334164623 /nfs/dbraw/zinc/16/46/23/334164623.db2.gz AXTJROVBUGEUGF-ZWKOTPCHSA-N 0 3 312.457 3.877 20 30 DHEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1F ZINC000290406311 334172719 /nfs/dbraw/zinc/17/27/19/334172719.db2.gz TYBLGLDHURPYCI-CKYFFXLPSA-N 0 3 311.198 3.931 20 30 DHEDHN COc1ccccc1-c1ccc([C@@H](C)NCCOCCC#N)cc1 ZINC000293754101 334202025 /nfs/dbraw/zinc/20/20/25/334202025.db2.gz JDPOHMBUQKLMNG-MRXNPFEDSA-N 0 3 324.424 3.943 20 30 DHEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@H](CCCC#N)c1ccccc1 ZINC000340444119 334203036 /nfs/dbraw/zinc/20/30/36/334203036.db2.gz CDVKJJKNZJISCX-MSOLQXFVSA-N 0 3 308.429 3.822 20 30 DHEDHN N#C[C@H]1CC[C@@H](N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC000293893789 334203176 /nfs/dbraw/zinc/20/31/76/334203176.db2.gz ZHHWVODZYPHETA-OBZTUIKSSA-N 0 3 306.409 3.743 20 30 DHEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340456072 334207175 /nfs/dbraw/zinc/20/71/75/334207175.db2.gz VBKWYIAXKROHOP-LZWOXQAQSA-N 0 3 312.392 3.744 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000295932122 334228552 /nfs/dbraw/zinc/22/85/52/334228552.db2.gz FSWMINYXUGCESI-KBPBESRZSA-N 0 3 314.820 3.698 20 30 DHEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ncc(Br)s1 ZINC000296660230 334235875 /nfs/dbraw/zinc/23/58/75/334235875.db2.gz ZRFVBAVSGRKZOA-UTLUCORTSA-N 0 3 314.252 3.639 20 30 DHEDHN N#C[C@H]1CC[C@H](N2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000297933673 334244966 /nfs/dbraw/zinc/24/49/66/334244966.db2.gz RJFSFICBQSEJIM-WMZOPIPTSA-N 0 3 317.864 3.540 20 30 DHEDHN CCOc1ccc([C@H](O)C2CCN([C@H](C)CCC#N)CC2)cc1 ZINC000298037746 334245837 /nfs/dbraw/zinc/24/58/37/334245837.db2.gz CWXAASOMNHLKIW-BEFAXECRSA-N 0 3 316.445 3.523 20 30 DHEDHN CCOC1(C)CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000298316436 334247731 /nfs/dbraw/zinc/24/77/31/334247731.db2.gz QMWKBFNOQZWBII-UHFFFAOYSA-N 0 3 300.446 3.879 20 30 DHEDHN C[C@H](O)C1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000111284660 334323018 /nfs/dbraw/zinc/32/30/18/334323018.db2.gz UDASXNKZMWKAAI-INIZCTEOSA-N 0 3 320.436 3.818 20 30 DHEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000534941178 334349764 /nfs/dbraw/zinc/34/97/64/334349764.db2.gz DXOKVTMTYBSPBT-KXBFYZLASA-N 0 3 304.393 3.515 20 30 DHEDHN C[C@@H]1[C@H](Nc2c(C#N)cccc2C#N)CCN1Cc1ccccc1 ZINC000340813742 334387306 /nfs/dbraw/zinc/38/73/06/334387306.db2.gz DUMULOFHKBSULB-DNVCBOLYSA-N 0 3 316.408 3.505 20 30 DHEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000342022263 334502306 /nfs/dbraw/zinc/50/23/06/334502306.db2.gz JTMWYVFKOXZALP-CQSZACIVSA-N 0 3 310.397 3.735 20 30 DHEDHN Cc1cc([C@H](C)NCc2cnc3ccc(C#N)cn23)c(C)s1 ZINC000342727330 334569353 /nfs/dbraw/zinc/56/93/53/334569353.db2.gz KYKRWTQCXHKTHE-LBPRGKRZSA-N 0 3 310.426 3.735 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000424842511 334743558 /nfs/dbraw/zinc/74/35/58/334743558.db2.gz AWGTVCPBAVFVFF-MRXNPFEDSA-N 0 3 320.502 3.730 20 30 DHEDHN C[C@H](N[C@@H](CCO)C1CCCCC1)c1ccc(C#N)cc1F ZINC000330786941 334815391 /nfs/dbraw/zinc/81/53/91/334815391.db2.gz OFAGCNLQXCXDSI-UGSOOPFHSA-N 0 3 304.409 3.679 20 30 DHEDHN Cc1oc([N-]C(=O)C[NH2+][C@H]2CCCC[C@@H]2C(C)C)c(C#N)c1C ZINC000330863436 334816290 /nfs/dbraw/zinc/81/62/90/334816290.db2.gz ARCIUUCXSMCKEQ-ZBFHGGJFSA-N 0 3 317.433 3.511 20 30 DHEDHN Cc1ccc(NC(=O)CNCC(C)(C)CCC#N)c(Cl)c1 ZINC000425373691 334856936 /nfs/dbraw/zinc/85/69/36/334856936.db2.gz VUYLEXFPUFXRNK-UHFFFAOYSA-N 0 3 307.825 3.507 20 30 DHEDHN Cc1ccnc(N[C@H](C)[C@H](c2ccccc2C)N(C)C)c1C#N ZINC000343805679 335194216 /nfs/dbraw/zinc/19/42/16/335194216.db2.gz ISWQWKHFNNJUKW-CRAIPNDOSA-N 0 3 308.429 3.673 20 30 DHEDHN C=CC[C@@H]1N(C(=O)c2cccc(CN(C)C)c2)CCCC1(C)C ZINC000444637100 338477793 /nfs/dbraw/zinc/47/77/93/338477793.db2.gz POORHECQSIEXEG-SFHVURJKSA-N 0 3 314.473 3.955 20 30 DHEDHN N#CCCCN[C@H]1CCCOc2cc(Br)ccc21 ZINC000346791598 335435920 /nfs/dbraw/zinc/43/59/20/335435920.db2.gz JJCSMOCZKZKCMK-ZDUSSCGKSA-N 0 3 309.207 3.556 20 30 DHEDHN C=CC1CCN([C@@H](C)C(=O)N[C@H](CCC)c2ccccc2)CC1 ZINC000348170115 335559727 /nfs/dbraw/zinc/55/97/27/335559727.db2.gz QOUFPSUCYHVIHS-QFBILLFUSA-N 0 3 314.473 3.931 20 30 DHEDHN CCCCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000349827604 335704057 /nfs/dbraw/zinc/70/40/57/335704057.db2.gz JRLPWSUOAPCYGS-HOCLYGCPSA-N 0 3 302.418 3.656 20 30 DHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@H]2CC[C@H](C)CC2)C1 ZINC000329654027 336028709 /nfs/dbraw/zinc/02/87/09/336028709.db2.gz FDBIAGBLLKQQGQ-BZUAXINKSA-N 0 3 318.465 3.575 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCC(NC(=O)CC3CCCC3)CC2)C1 ZINC000330255221 336130401 /nfs/dbraw/zinc/13/04/01/336130401.db2.gz PNVFWODWYUEFNX-NVXWUHKLSA-N 0 3 303.450 3.680 20 30 DHEDHN COc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000194351850 338515934 /nfs/dbraw/zinc/51/59/34/338515934.db2.gz DMBVRFLYDJQWJT-ZIAGYGMSSA-N 0 3 310.397 3.987 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2ccc3sccc3c2)nc(C)n1 ZINC000352046660 336191703 /nfs/dbraw/zinc/19/17/03/336191703.db2.gz VFIFJWGZMZVCOA-CQSZACIVSA-N 0 3 307.378 3.798 20 30 DHEDHN CC[C@@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)N(CC)CC ZINC000352175574 336199073 /nfs/dbraw/zinc/19/90/73/336199073.db2.gz VZIQPZSWNCVYBB-ROUUACIJSA-N 0 3 315.461 3.658 20 30 DHEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCCO1 ZINC000103480587 336241849 /nfs/dbraw/zinc/24/18/49/336241849.db2.gz YUTKVKYLJSJYAE-LJQANCHMSA-N 0 3 306.409 3.836 20 30 DHEDHN N#Cc1ccc(CNCCc2ccc(OC(F)F)cc2)c(F)c1 ZINC000532589192 336256610 /nfs/dbraw/zinc/25/66/10/336256610.db2.gz LQWZPZMGUYHOQR-UHFFFAOYSA-N 0 3 320.314 3.631 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2CCCCS2)c(C(F)(F)F)c1 ZINC000352829274 336267301 /nfs/dbraw/zinc/26/73/01/336267301.db2.gz ABNKBYUGNUFEJY-ZDUSSCGKSA-N 0 3 314.376 3.952 20 30 DHEDHN CC(C)C[C@H]1OCCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000481757242 336279270 /nfs/dbraw/zinc/27/92/70/336279270.db2.gz PNOFUHIFAJRNNT-ZWKOTPCHSA-N 0 3 305.849 3.875 20 30 DHEDHN COCC(C)(C)NCCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193048912 336290982 /nfs/dbraw/zinc/29/09/82/336290982.db2.gz ZEJSEWARZUJCMM-UHFFFAOYSA-N 0 3 322.452 3.901 20 30 DHEDHN CN1CCC[C@H](CNc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000301438505 336306815 /nfs/dbraw/zinc/30/68/15/336306815.db2.gz STXJOUZSXQHSEA-CXAGYDPISA-N 0 3 312.442 3.510 20 30 DHEDHN N#Cc1cc(F)c(N[C@@H]2CCN(CC3CCCC3)C2)c(F)c1 ZINC000301469283 336308845 /nfs/dbraw/zinc/30/88/45/336308845.db2.gz NSQOWYMGBIGRHH-CQSZACIVSA-N 0 3 305.372 3.513 20 30 DHEDHN CCc1ccc([C@@H](CNc2ccc(C)c(C#N)n2)N(C)C)cc1 ZINC000302705959 336365862 /nfs/dbraw/zinc/36/58/62/336365862.db2.gz JSAPXUGELHBVMF-GOSISDBHSA-N 0 3 308.429 3.539 20 30 DHEDHN N#Cc1cccc(C#N)c1NC[C@H]1CCCN1Cc1ccccc1 ZINC000302889744 336373458 /nfs/dbraw/zinc/37/34/58/336373458.db2.gz OZJJKHMEWMPOGX-LJQANCHMSA-N 0 3 316.408 3.506 20 30 DHEDHN CC(C)SCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353027552 336380615 /nfs/dbraw/zinc/38/06/15/336380615.db2.gz YCTHPQSRTVRYHS-UHFFFAOYSA-N 0 3 322.449 3.682 20 30 DHEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000514626244 336386368 /nfs/dbraw/zinc/38/63/68/336386368.db2.gz UDQWVOMCCAKTTJ-BZSNNMDCSA-N 0 3 310.441 3.796 20 30 DHEDHN CC(C)N(CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCC1 ZINC000108364856 336393172 /nfs/dbraw/zinc/39/31/72/336393172.db2.gz PSUDIUBAZHEUIS-UHFFFAOYSA-N 0 3 319.836 3.803 20 30 DHEDHN COc1cc(CNCc2ccc3nc(C)ccc3c2)ccc1C#N ZINC000353195554 336406139 /nfs/dbraw/zinc/40/61/39/336406139.db2.gz VRICVMBXCMOIFZ-UHFFFAOYSA-N 0 3 317.392 3.713 20 30 DHEDHN COc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccc1C#N ZINC000353650562 336431773 /nfs/dbraw/zinc/43/17/73/336431773.db2.gz RJUIUUMVLLTIBF-IBGZPJMESA-N 0 3 317.392 3.606 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000354019378 336454459 /nfs/dbraw/zinc/45/44/59/336454459.db2.gz XUJDHZAINPAGSY-GMXABZIVSA-N 0 3 313.228 3.699 20 30 DHEDHN Cc1ccc([C@H](CNc2cccnc2C#N)N2CCCC2)cc1 ZINC000357231835 336577697 /nfs/dbraw/zinc/57/76/97/336577697.db2.gz SVSLEMUCFXVEQR-IBGZPJMESA-N 0 3 306.413 3.511 20 30 DHEDHN COc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000360837732 336723674 /nfs/dbraw/zinc/72/36/74/336723674.db2.gz RBPOGOGXBAGOOE-SFHVURJKSA-N 0 3 307.397 3.519 20 30 DHEDHN C[C@H](N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000362035271 336782768 /nfs/dbraw/zinc/78/27/68/336782768.db2.gz CRQVCOBVLFOWQR-YSSFQJQWSA-N 0 3 306.409 3.987 20 30 DHEDHN N#Cc1cc(CN[C@@H](c2ccccc2)C2CCOCC2)ccc1F ZINC000362258211 336789939 /nfs/dbraw/zinc/78/99/39/336789939.db2.gz QKAZOCSWGBQXFL-FQEVSTJZSA-N 0 3 324.399 3.955 20 30 DHEDHN C#Cc1ccc(CN[C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000368014496 336834574 /nfs/dbraw/zinc/83/45/74/336834574.db2.gz GHQGTQWFMUZOPN-INIZCTEOSA-N 0 3 301.393 3.704 20 30 DHEDHN C=C(Cl)CNC1CCC(O)(c2cccc(Cl)c2)CC1 ZINC000368360490 336843094 /nfs/dbraw/zinc/84/30/94/336843094.db2.gz JCAILDKUJWSUSB-UHFFFAOYSA-N 0 3 300.229 3.812 20 30 DHEDHN CC(C)(C)c1n[nH]cc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418146580 336896969 /nfs/dbraw/zinc/89/69/69/336896969.db2.gz QFJMIKHNMFBMSK-QGZVFWFLSA-N 0 3 308.429 3.746 20 30 DHEDHN Cc1cccc2ncc(CN[C@@H]3CCCc4cc(C#N)ccc43)n21 ZINC000418137763 336897348 /nfs/dbraw/zinc/89/73/48/336897348.db2.gz CDVSMQAHWDAPRJ-LJQANCHMSA-N 0 3 316.408 3.682 20 30 DHEDHN COc1ccc(CN2CCC(c3ccc(C)nc3)CC2)cc1C#N ZINC000371744855 336911890 /nfs/dbraw/zinc/91/18/90/336911890.db2.gz UVAZAWPEOVJUOK-UHFFFAOYSA-N 0 3 321.424 3.650 20 30 DHEDHN N#Cc1csc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000120851539 336923570 /nfs/dbraw/zinc/92/35/70/336923570.db2.gz CYOGWRFTKILPIA-KDOFPFPSSA-N 0 3 312.438 3.877 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000122659343 337017725 /nfs/dbraw/zinc/01/77/25/337017725.db2.gz VMXYPUYZODVNIO-LJQANCHMSA-N 0 3 304.393 3.796 20 30 DHEDHN CN(Cc1cccc(C#N)c1)c1ccncc1-c1cccnc1 ZINC000377062691 337046198 /nfs/dbraw/zinc/04/61/98/337046198.db2.gz SDIPLXHEROXMLZ-UHFFFAOYSA-N 0 3 300.365 3.652 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@@H]2CCCc3cccnc32)cc1 ZINC000377246816 337049404 /nfs/dbraw/zinc/04/94/04/337049404.db2.gz WRGKWHUGLLMNCT-DNVCBOLYSA-N 0 3 321.424 3.882 20 30 DHEDHN C[C@@H](NCc1ccccc1-c1cnn(C)c1)c1ccc(C#N)s1 ZINC000378451939 337073099 /nfs/dbraw/zinc/07/30/99/337073099.db2.gz LAWQVYLJILSRKD-CYBMUJFWSA-N 0 3 322.437 3.871 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000378574142 337075868 /nfs/dbraw/zinc/07/58/68/337075868.db2.gz GGTDEUIDTBYLDB-DNVCBOLYSA-N 0 3 316.408 3.916 20 30 DHEDHN CCOc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000193703357 337079053 /nfs/dbraw/zinc/07/90/53/337079053.db2.gz ATDBEOPERKNHQG-OAHLLOKOSA-N 0 3 310.397 3.838 20 30 DHEDHN C=CCN1CCC(NC(=O)CCc2ccc(C(C)C)cc2)CC1 ZINC000171718053 337088532 /nfs/dbraw/zinc/08/85/32/337088532.db2.gz DNSCNJJXGDLGOD-UHFFFAOYSA-N 0 3 314.473 3.509 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@H](c2ccccc2)[C@H](C)CC)CC1 ZINC000172291491 337091140 /nfs/dbraw/zinc/09/11/40/337091140.db2.gz XARHDFLLHJHIDM-APWZRJJASA-N 0 3 314.473 3.583 20 30 DHEDHN Cn1cccc1[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000175123591 337144576 /nfs/dbraw/zinc/14/45/76/337144576.db2.gz PURCNLVKYOFBSK-SFHVURJKSA-N 0 3 309.413 3.503 20 30 DHEDHN C=CCCCC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000176249043 337149640 /nfs/dbraw/zinc/14/96/40/337149640.db2.gz FNDVFKKOWJQLCT-IBGZPJMESA-N 0 3 314.473 3.713 20 30 DHEDHN N#CC(=C([O-])c1cc(Cl)ccc1OC(F)F)c1ccccn1 ZINC000176526502 337151958 /nfs/dbraw/zinc/15/19/58/337151958.db2.gz YORICFOFKGLWSC-NSHDSACASA-N 0 3 322.698 3.826 20 30 DHEDHN N#CC(C(=O)c1cc(Cl)ccc1OC(F)F)c1ccccn1 ZINC000176526502 337151959 /nfs/dbraw/zinc/15/19/59/337151959.db2.gz YORICFOFKGLWSC-NSHDSACASA-N 0 3 322.698 3.826 20 30 DHEDHN Cn1cccc1[C@H]1CCCN1CCCOc1cccc(C#N)c1 ZINC000177691054 337158521 /nfs/dbraw/zinc/15/85/21/337158521.db2.gz BAKGOEAEFXTTTQ-LJQANCHMSA-N 0 3 309.413 3.503 20 30 DHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1-n1cccn1 ZINC000183141245 337190163 /nfs/dbraw/zinc/19/01/63/337190163.db2.gz NDXCLHVETRYXQO-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN N#CCCCOc1cccc(CN2CC[C@H](c3cccnc3)C2)c1 ZINC000582846302 337207382 /nfs/dbraw/zinc/20/73/82/337207382.db2.gz ICLRVDDPLBTAJV-IBGZPJMESA-N 0 3 321.424 3.754 20 30 DHEDHN C=CCC1(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CCC1 ZINC000189282760 337278307 /nfs/dbraw/zinc/27/83/07/337278307.db2.gz QGWKXKSCHPEQOB-SJLPKXTDSA-N 0 3 312.457 3.512 20 30 DHEDHN Cc1nccn1-c1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000086279069 337310359 /nfs/dbraw/zinc/31/03/59/337310359.db2.gz UEQKQMRXOJRRHB-OAHLLOKOSA-N 0 3 316.408 3.903 20 30 DHEDHN C[C@@H](Cn1cccn1)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000123555920 337399769 /nfs/dbraw/zinc/39/97/69/337399769.db2.gz WEUJOVDWXPUYNW-INIZCTEOSA-N 0 3 316.408 3.600 20 30 DHEDHN N#Cc1ccccc1OCCN[C@@H](CC(F)F)c1ccccc1 ZINC000420996075 337518184 /nfs/dbraw/zinc/51/81/84/337518184.db2.gz QCVFUSUTFVHEET-INIZCTEOSA-N 0 3 316.351 3.923 20 30 DHEDHN N#Cc1ccc(N2CCC[C@@H](NCc3ccsc3)C2)c(F)c1 ZINC000068991437 337545356 /nfs/dbraw/zinc/54/53/56/337545356.db2.gz RYPFRKQVFUKDFI-OAHLLOKOSA-N 0 3 315.417 3.517 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2cccc(Cl)c2)CC1 ZINC000266101918 337633837 /nfs/dbraw/zinc/63/38/37/337633837.db2.gz LENDGUDQWCJQCQ-CQSZACIVSA-N 0 3 320.864 3.600 20 30 DHEDHN C#CC[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000271466121 337644463 /nfs/dbraw/zinc/64/44/63/337644463.db2.gz HWRYIHSDUNBESH-OHEPNIRZSA-N 0 3 311.450 3.839 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272267913 337647770 /nfs/dbraw/zinc/64/77/70/337647770.db2.gz MSXAAWKICDRGOY-MRXNPFEDSA-N 0 3 316.404 3.910 20 30 DHEDHN C#CCOc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272267911 337647782 /nfs/dbraw/zinc/64/77/82/337647782.db2.gz MSXAAWKICDRGOY-INIZCTEOSA-N 0 3 316.404 3.910 20 30 DHEDHN C=C(C)CN1CCC(NCc2c(F)ccc(F)c2Cl)CC1 ZINC000527655894 337756555 /nfs/dbraw/zinc/75/65/55/337756555.db2.gz ADHJYJLBAJZOTF-UHFFFAOYSA-N 0 3 314.807 3.748 20 30 DHEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OCCC(C)C ZINC000424193158 337805623 /nfs/dbraw/zinc/80/56/23/337805623.db2.gz JVVXMQWUSBNAGQ-DOTOQJQBSA-N 0 3 316.445 3.902 20 30 DHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3cc(Br)ccc32)C1 ZINC000424317720 337819936 /nfs/dbraw/zinc/81/99/36/337819936.db2.gz CEUFIIPMUJQHME-ZBINZKHDSA-N 0 3 305.219 3.718 20 30 DHEDHN C[C@H](CNCc1ccc(C#N)cc1F)Oc1ccc(Cl)cc1 ZINC000533309821 337840543 /nfs/dbraw/zinc/84/05/43/337840543.db2.gz XBYHTPOEHMKIOI-GFCCVEGCSA-N 0 3 318.779 3.908 20 30 DHEDHN C[C@H](COc1ccc(F)cc1F)NCc1ccc(C#N)cc1F ZINC000533311385 337840718 /nfs/dbraw/zinc/84/07/18/337840718.db2.gz RZTSVYBUFDSTIB-LLVKDONJSA-N 0 3 320.314 3.533 20 30 DHEDHN CCN(CCCNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000533311932 337840720 /nfs/dbraw/zinc/84/07/20/337840720.db2.gz IDJVXMNSRQUGAL-UHFFFAOYSA-N 0 3 311.404 3.704 20 30 DHEDHN C=CC[C@@H](CO)CNCc1cc(Cl)ccc1OC1CCCC1 ZINC000537023224 337869053 /nfs/dbraw/zinc/86/90/53/337869053.db2.gz QAYFKGXNKRBUAG-CQSZACIVSA-N 0 3 323.864 3.936 20 30 DHEDHN Cc1cc(C)cc([C@H](C)NCCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000537104707 337891785 /nfs/dbraw/zinc/89/17/85/337891785.db2.gz PMCZVJDSFHYKTL-INIZCTEOSA-N 0 3 321.424 3.855 20 30 DHEDHN C=CCOc1ccc(CNCCSCC(F)(F)F)cc1 ZINC000537327885 337931081 /nfs/dbraw/zinc/93/10/81/337931081.db2.gz WYCKTLWOMWZGKP-UHFFFAOYSA-N 0 3 305.365 3.637 20 30 DHEDHN CO[C@@H](C)CN(CC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000426524726 338034165 /nfs/dbraw/zinc/03/41/65/338034165.db2.gz PSRWYJJYLAHICE-AWEZNQCLSA-N 0 3 313.363 3.802 20 30 DHEDHN C=CC[C@@H](C(=O)NCC(C)(C)N1CCCCC1)c1ccccc1 ZINC000426598262 338035422 /nfs/dbraw/zinc/03/54/22/338035422.db2.gz JTGBFNAZLBQCBJ-GOSISDBHSA-N 0 3 314.473 3.727 20 30 DHEDHN CCCN(Cc1cccc(F)c1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000428220056 338042956 /nfs/dbraw/zinc/04/29/56/338042956.db2.gz ZZZBQNCOSSTLGO-ZTFGCOKTSA-N 0 3 316.420 3.723 20 30 DHEDHN C=CCN(C)Cc1ccc(Br)c(Br)c1 ZINC000428393296 338049938 /nfs/dbraw/zinc/04/99/38/338049938.db2.gz XKSDWDMKAGPKBE-UHFFFAOYSA-N 0 3 319.040 3.829 20 30 DHEDHN C[C@@H]1CN(c2cccc(F)c2)CCN1Cc1ccc(CC#N)cc1 ZINC000429236206 338074274 /nfs/dbraw/zinc/07/42/74/338074274.db2.gz LNQFUMPMFHBDHP-MRXNPFEDSA-N 0 3 323.415 3.602 20 30 DHEDHN CO[C@H]1CCCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000429520596 338082953 /nfs/dbraw/zinc/08/29/53/338082953.db2.gz DGCWKGKGRROKTK-CVEARBPZSA-N 0 3 311.347 3.604 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1cc(Cl)cc2cccnc21 ZINC000429719911 338088201 /nfs/dbraw/zinc/08/82/01/338088201.db2.gz VHTGQDSODPUXGR-UHFFFAOYSA-N 0 3 317.864 3.828 20 30 DHEDHN N#CCC1(CNCc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000430015817 338093494 /nfs/dbraw/zinc/09/34/94/338093494.db2.gz BRMORRNGSORSJA-UHFFFAOYSA-N 0 3 316.408 3.809 20 30 DHEDHN N#CCC1(CNCc2ccc(Br)c(Cl)c2)CC1 ZINC000430041747 338094262 /nfs/dbraw/zinc/09/42/62/338094262.db2.gz WMLBEYLBZOTDAX-UHFFFAOYSA-N 0 3 313.626 3.886 20 30 DHEDHN CC(C)(CCC#N)CN(CCc1ccccn1)Cc1cccnc1 ZINC000430864563 338117327 /nfs/dbraw/zinc/11/73/27/338117327.db2.gz LCNOKPQUHVJGHD-UHFFFAOYSA-N 0 3 322.456 3.851 20 30 DHEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2ccccc2)C1 ZINC000433072729 338180222 /nfs/dbraw/zinc/18/02/22/338180222.db2.gz PSBMCTDGSBUBFX-SFHVURJKSA-N 0 3 306.409 3.946 20 30 DHEDHN CC(C)(CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433217866 338186328 /nfs/dbraw/zinc/18/63/28/338186328.db2.gz GTCXUFBGQXHVPG-SFHVURJKSA-N 0 3 320.436 3.853 20 30 DHEDHN C=CCSCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433234020 338187162 /nfs/dbraw/zinc/18/71/62/338187162.db2.gz QYIZSVPKIUYTSD-HNNXBMFYSA-N 0 3 306.431 3.826 20 30 DHEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(C#N)CCc1ccccc1 ZINC000433344196 338193529 /nfs/dbraw/zinc/19/35/29/338193529.db2.gz QQXNLRZFCUVPBI-XGXHKWSGSA-N 0 3 310.441 3.939 20 30 DHEDHN CCSCC[C@H](C)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433375237 338194140 /nfs/dbraw/zinc/19/41/40/338194140.db2.gz XMOAETQKIXIWIN-DOTOQJQBSA-N 0 3 318.486 3.749 20 30 DHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(Cl)c1OCC ZINC000435725212 338246251 /nfs/dbraw/zinc/24/62/51/338246251.db2.gz FSJDLILJBZTYBQ-GDBMZVCRSA-N 0 3 309.837 3.810 20 30 DHEDHN C=CCC[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000435755412 338248036 /nfs/dbraw/zinc/24/80/36/338248036.db2.gz JHCWTVAFWCFAKI-SOLBZPMBSA-N 0 3 300.446 3.683 20 30 DHEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C ZINC000435976107 338254782 /nfs/dbraw/zinc/25/47/82/338254782.db2.gz KJWVAGJOKMSHGG-JXXFODFXSA-N 0 3 318.420 3.751 20 30 DHEDHN Clc1cccc(C#CCN2CCC[C@@]3(CCCOC3)C2)c1 ZINC000437566577 338313633 /nfs/dbraw/zinc/31/36/33/338313633.db2.gz GEBSEGGOIXHDKE-GOSISDBHSA-N 0 3 303.833 3.584 20 30 DHEDHN CSCC[C@H](C)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437886800 338324195 /nfs/dbraw/zinc/32/41/95/338324195.db2.gz CRAGTLWEFNVFLI-NSHDSACASA-N 0 3 314.401 3.733 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@](C)(c2ccccc2)C1 ZINC000438487381 338345848 /nfs/dbraw/zinc/34/58/48/338345848.db2.gz DSFWYDPBNKNQFN-FQEVSTJZSA-N 0 3 306.409 3.730 20 30 DHEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccc(C#N)cc1Cl ZINC000439435283 338369227 /nfs/dbraw/zinc/36/92/27/338369227.db2.gz GJFPAHRUIJVCRX-CYBMUJFWSA-N 0 3 314.816 3.980 20 30 DHEDHN C[C@](CO)(NCc1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000439457693 338370065 /nfs/dbraw/zinc/37/00/65/338370065.db2.gz RCJGTSNDAANVLX-QGZVFWFLSA-N 0 3 306.837 3.633 20 30 DHEDHN C[C@@H](O)CN(Cc1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000439459697 338370242 /nfs/dbraw/zinc/37/02/42/338370242.db2.gz HFCJUWNKDGAXES-CYBMUJFWSA-N 0 3 306.837 3.727 20 30 DHEDHN COc1cc(CNC[C@@H](Nc2ccccc2)C(C)C)ccc1C#N ZINC000440836097 338398477 /nfs/dbraw/zinc/39/84/77/338398477.db2.gz YVUZTTDBHGTEBJ-LJQANCHMSA-N 0 3 323.440 3.793 20 30 DHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(I)cc1 ZINC000157284817 338419476 /nfs/dbraw/zinc/41/94/76/338419476.db2.gz SBPRNQHECXXVSP-NXEZZACHSA-N 0 3 301.171 3.516 20 30 DHEDHN Cc1c(CN2CCSCC2)cccc1N[C@@H]1CC[C@H](C#N)C1 ZINC000442851833 338434682 /nfs/dbraw/zinc/43/46/82/338434682.db2.gz GWTJPKKCARSPOY-DOTOQJQBSA-N 0 3 315.486 3.648 20 30 DHEDHN C=CCCCN[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000447794926 338566550 /nfs/dbraw/zinc/56/65/50/338566550.db2.gz KYLSEPWSYFSKTG-IBGZPJMESA-N 0 3 324.424 3.931 20 30 DHEDHN C=CCCCC[C@H](C)N[C@H]1CCCc2cn(CCOC)nc21 ZINC000449242752 338605994 /nfs/dbraw/zinc/60/59/94/338605994.db2.gz GKQPSQVZPNNAQH-RDJZCZTQSA-N 0 3 305.466 3.631 20 30 DHEDHN Cc1cc(C)c(CNCc2cccc(OCCCC#N)c2)cn1 ZINC000449733463 338648750 /nfs/dbraw/zinc/64/87/50/338648750.db2.gz IBAOGTXVDOLKFX-UHFFFAOYSA-N 0 3 309.413 3.671 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(Cl)c1 ZINC000450862210 338709160 /nfs/dbraw/zinc/70/91/60/338709160.db2.gz OOUKFHARPRXXDT-UAGQMJEPSA-N 0 3 316.832 3.649 20 30 DHEDHN Cc1cc(CN2CCC(F)(c3ccccn3)CC2)ccc1C#N ZINC000450929039 338712852 /nfs/dbraw/zinc/71/28/52/338712852.db2.gz HWWRGQUTEKVHTO-UHFFFAOYSA-N 0 3 309.388 3.723 20 30 DHEDHN OC1CCC2(CC1)CCN(CC#Cc1cccc(Cl)c1)CC2 ZINC000451154067 338723407 /nfs/dbraw/zinc/72/34/07/338723407.db2.gz KULAXSRZCYFASC-UHFFFAOYSA-N 0 3 317.860 3.709 20 30 DHEDHN C[C@@H]1C[C@]1(C#N)c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000453027217 338786809 /nfs/dbraw/zinc/78/68/09/338786809.db2.gz MHZMZTHMOOJRDZ-AUUYWEPGSA-N 0 3 322.412 3.524 20 30 DHEDHN N#C[C@@H]1CC[C@H](NC2(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000453256474 338815108 /nfs/dbraw/zinc/81/51/08/338815108.db2.gz JPKQIMVDCICVEI-YPMHNXCESA-N 0 3 310.319 3.856 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(F)c(Br)c1 ZINC000453354121 338830280 /nfs/dbraw/zinc/83/02/80/338830280.db2.gz KMLCRWADBUOGHW-FZQKWOKYSA-N 0 3 314.198 3.582 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000453379487 338834831 /nfs/dbraw/zinc/83/48/31/338834831.db2.gz ZKQJXTOPVGHHPB-UAGQMJEPSA-N 0 3 319.445 3.868 20 30 DHEDHN C=CCC(CC=C)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458200817 338991757 /nfs/dbraw/zinc/99/17/57/338991757.db2.gz UBWBQOAHDQGKCC-UHFFFAOYSA-N 0 3 316.445 3.642 20 30 DHEDHN C=CCC[C@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000459389482 339026582 /nfs/dbraw/zinc/02/65/82/339026582.db2.gz QNZFNJKPZCKCIT-KRWDZBQOSA-N 0 3 309.413 3.857 20 30 DHEDHN N#C[C@H]1CCC[C@@H]1NCCCc1ccccc1Br ZINC000459482056 339031815 /nfs/dbraw/zinc/03/18/15/339031815.db2.gz QRMUMJBSRRILSC-HIFRSBDPSA-N 0 3 307.235 3.664 20 30 DHEDHN CCOc1cc(CNCC(C)(C)CC#N)ccc1OC(F)F ZINC000459702607 339043588 /nfs/dbraw/zinc/04/35/88/339043588.db2.gz VRCSKXBKJBSIOF-UHFFFAOYSA-N 0 3 312.360 3.716 20 30 DHEDHN CC#CCCN1CCC(Oc2cccc(Br)c2)CC1 ZINC000462472249 339079580 /nfs/dbraw/zinc/07/95/80/339079580.db2.gz HMJYZHLZEMRCKR-UHFFFAOYSA-N 0 3 322.246 3.706 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000464527758 339144334 /nfs/dbraw/zinc/14/43/34/339144334.db2.gz RQDXEPFWEHTHDD-VQIMIIECSA-N 0 3 314.473 3.542 20 30 DHEDHN CCC1(CC)CN(Cc2ccc(C#N)cc2OC)CCS1 ZINC000464580288 339145902 /nfs/dbraw/zinc/14/59/02/339145902.db2.gz HEEVDXGCWKATPB-UHFFFAOYSA-N 0 3 304.459 3.674 20 30 DHEDHN C=CCCN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467389918 339236240 /nfs/dbraw/zinc/23/62/40/339236240.db2.gz MYYXFHHXAUKZEK-UHFFFAOYSA-N 0 3 316.357 3.871 20 30 DHEDHN C[C@H](NC[C@@H](CO)CC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000467442702 339238926 /nfs/dbraw/zinc/23/89/26/339238926.db2.gz HTKNXXAPESDSME-ZFWWWQNUSA-N 0 3 304.409 3.537 20 30 DHEDHN Cc1cc(CN(C)CCCOCc2ccccc2)ccc1C#N ZINC000467551745 339241988 /nfs/dbraw/zinc/24/19/88/339241988.db2.gz CJVNFGGTKDULFJ-UHFFFAOYSA-N 0 3 308.425 3.905 20 30 DHEDHN C=CC[C@@H](C(=O)NCCN1CCCC(C)(C)C1)c1ccccc1 ZINC000470279218 339315920 /nfs/dbraw/zinc/31/59/20/339315920.db2.gz JTXWHGFDHOQVNN-GOSISDBHSA-N 0 3 314.473 3.585 20 30 DHEDHN C=C(C)CN(CCC(=O)NC1CCCC1)Cc1ccccc1 ZINC000470914417 339331129 /nfs/dbraw/zinc/33/11/29/339331129.db2.gz BXVLDGGLXDKWLG-UHFFFAOYSA-N 0 3 300.446 3.514 20 30 DHEDHN C[C@@H]1CCC[C@H](CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000470954891 339332831 /nfs/dbraw/zinc/33/28/31/339332831.db2.gz DJIRJXSOGJYJRQ-GPMSIDNRSA-N 0 3 323.440 3.573 20 30 DHEDHN C=CCCCCN[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000471888428 339356877 /nfs/dbraw/zinc/35/68/77/339356877.db2.gz QJSLAXMLLFKINY-SFHVURJKSA-N 0 3 300.446 3.686 20 30 DHEDHN COc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccc1OCCC(C)C ZINC000472142486 339364150 /nfs/dbraw/zinc/36/41/50/339364150.db2.gz PKFYHMZHIGQGMJ-NVXWUHKLSA-N 0 3 316.445 3.902 20 30 DHEDHN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CCCC(C)(C)C#N ZINC000472238144 339367051 /nfs/dbraw/zinc/36/70/51/339367051.db2.gz FZTZDFUFWAHPIZ-IRXDYDNUSA-N 0 3 320.477 3.760 20 30 DHEDHN C=CCCCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000473895115 339394511 /nfs/dbraw/zinc/39/45/11/339394511.db2.gz MHSDASLWZSUOHE-OAHLLOKOSA-N 0 3 321.490 3.541 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC2(C)CCC(C)CC2)CC1 ZINC000474330184 339409692 /nfs/dbraw/zinc/40/96/92/339409692.db2.gz NTEKBXOYXFKTGI-UHFFFAOYSA-N 0 3 321.509 3.543 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c(C)cccc1C)C(C)C ZINC000475048113 339436816 /nfs/dbraw/zinc/43/68/16/339436816.db2.gz MROSVJSZUFAJEU-SFHVURJKSA-N 0 3 314.473 3.732 20 30 DHEDHN C=CCOc1ccc(CN[C@H]2CC(C)(C)OC2(C)C)cc1OC ZINC000478302971 339512983 /nfs/dbraw/zinc/51/29/83/339512983.db2.gz NGULGXMFESAQSZ-KRWDZBQOSA-N 0 3 319.445 3.696 20 30 DHEDHN C=CCC[C@H](CCC)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000480671648 339582626 /nfs/dbraw/zinc/58/26/26/339582626.db2.gz QTBWPTWGBQRLBH-IRXDYDNUSA-N 0 3 323.502 3.882 20 30 DHEDHN C=CCCCN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483266746 339657521 /nfs/dbraw/zinc/65/75/21/339657521.db2.gz HYNHDESOXGOTDG-ZDUSSCGKSA-N 0 3 307.743 3.948 20 30 DHEDHN Cc1cc(CNC2(c3cccc(F)c3)CCOCC2)ccc1C#N ZINC000488132320 339771387 /nfs/dbraw/zinc/77/13/87/339771387.db2.gz UDUZCMSSVWMRJS-UHFFFAOYSA-N 0 3 324.399 3.801 20 30 DHEDHN Cc1cc(CN[C@H](C)c2ccccc2-n2cccn2)ccc1C#N ZINC000488144080 339771682 /nfs/dbraw/zinc/77/16/82/339771682.db2.gz DWHVJKGHKHRBQO-MRXNPFEDSA-N 0 3 316.408 3.903 20 30 DHEDHN Cc1cc(CN[C@H](C)c2ccc(-n3cccn3)cc2)ccc1C#N ZINC000488169655 339772434 /nfs/dbraw/zinc/77/24/34/339772434.db2.gz NNMOWKSJEKWTFS-MRXNPFEDSA-N 0 3 316.408 3.903 20 30 DHEDHN C=CCCOCCN[C@@H]1CCc2cc(Br)cc(C)c21 ZINC000494588909 339954298 /nfs/dbraw/zinc/95/42/98/339954298.db2.gz XDOCFVFGBKDTHA-OAHLLOKOSA-N 0 3 324.262 3.927 20 30 DHEDHN C=CCC[C@@H](C(=O)N[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC000494992348 339969261 /nfs/dbraw/zinc/96/92/61/339969261.db2.gz AIIKVFYRXQAAOZ-PKOBYXMFSA-N 0 3 314.473 3.727 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)c(C)s1)C(C)C ZINC000495917357 339994694 /nfs/dbraw/zinc/99/46/94/339994694.db2.gz LEEOTOZWUIKERE-MRXNPFEDSA-N 0 3 320.502 3.793 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(Cl)c1)C(C)C ZINC000495967207 339995659 /nfs/dbraw/zinc/99/56/59/339995659.db2.gz UWTOYCXQPOOHTM-QGZVFWFLSA-N 0 3 320.864 3.768 20 30 DHEDHN CC#CCCNCc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000499214083 340032599 /nfs/dbraw/zinc/03/25/99/340032599.db2.gz OOWXLHSBGQGVOG-UHFFFAOYSA-N 0 3 301.821 3.646 20 30 DHEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@H](C)CC)C1=O ZINC000499608218 340040789 /nfs/dbraw/zinc/04/07/89/340040789.db2.gz UQGGSWAVSAQZAB-XOKHGSTOSA-N 0 3 320.864 3.804 20 30 DHEDHN CN(CCN1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502528940 340106946 /nfs/dbraw/zinc/10/69/46/340106946.db2.gz MJZUZAHUQFMKOE-UHFFFAOYSA-N 0 3 317.436 3.784 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](c1ccc(F)cc1)C(C)C ZINC000502540287 340107319 /nfs/dbraw/zinc/10/73/19/340107319.db2.gz HKYWPLPYNVTXFF-QAPCUYQASA-N 0 3 318.436 3.702 20 30 DHEDHN C=CC[C@H](CC)NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000504088682 340140705 /nfs/dbraw/zinc/14/07/05/340140705.db2.gz CVGPJOAYUVNNCU-BQFCYCMXSA-N 0 3 317.477 3.640 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000507007300 340205231 /nfs/dbraw/zinc/20/52/31/340205231.db2.gz JYDLHLLKZCMBCM-SFHVURJKSA-N 0 3 318.436 3.703 20 30 DHEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000508459838 340244066 /nfs/dbraw/zinc/24/40/66/340244066.db2.gz WPWIECJVHNEIFH-DZGCQCFKSA-N 0 3 304.821 3.813 20 30 DHEDHN C=CCCCN(C)Cc1nc2cc(Br)ccc2o1 ZINC000509657165 340275999 /nfs/dbraw/zinc/27/59/99/340275999.db2.gz IROUTFBEVABMGV-UHFFFAOYSA-N 0 3 309.207 3.988 20 30 DHEDHN CN(CCOc1cccc(Cl)c1)Cc1cccc(C#N)c1 ZINC000302805765 340282452 /nfs/dbraw/zinc/28/24/52/340282452.db2.gz NQALPBSSRQKZIC-UHFFFAOYSA-N 0 3 300.789 3.722 20 30 DHEDHN N#Cc1csc(CN2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000510415654 340298547 /nfs/dbraw/zinc/29/85/47/340298547.db2.gz RBPHWSYGBRDQEK-MRXNPFEDSA-N 0 3 300.402 3.966 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510552922 340302678 /nfs/dbraw/zinc/30/26/78/340302678.db2.gz QYENTWUTRGUDGC-JZXOWHBKSA-N 0 3 302.462 3.705 20 30 DHEDHN CC(C#N)C(=O)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000511810797 340338886 /nfs/dbraw/zinc/33/88/86/340338886.db2.gz WDATVJGJABRWEZ-YGRLFVJLSA-N 0 3 306.287 3.719 20 30 DHEDHN C[C@@H](NC[C@@H](C)N(C)c1ccccc1)c1ccc(C#N)cc1F ZINC000512631945 340369946 /nfs/dbraw/zinc/36/99/46/340369946.db2.gz VAAASYWIQDLVIM-HUUCEWRRSA-N 0 3 311.404 3.873 20 30 DHEDHN CC(C)[C@@H]1OCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512636058 340370260 /nfs/dbraw/zinc/37/02/60/340370260.db2.gz JOVUPMICKHJDNH-YEWWUXTCSA-N 0 3 304.409 3.799 20 30 DHEDHN C[C@H](N[C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000512640981 340370491 /nfs/dbraw/zinc/37/04/91/340370491.db2.gz CBYXSJRGIRZUHI-DXCKQFNASA-N 0 3 304.409 3.942 20 30 DHEDHN C[C@H](NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512652539 340371076 /nfs/dbraw/zinc/37/10/76/340371076.db2.gz AHCFNDJYMODLOL-RDJZCZTQSA-N 0 3 323.415 3.874 20 30 DHEDHN C[C@@H](NC[C@H]1CCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512652538 340371126 /nfs/dbraw/zinc/37/11/26/340371126.db2.gz AHCFNDJYMODLOL-NVXWUHKLSA-N 0 3 323.415 3.874 20 30 DHEDHN C[C@@H](NCCc1cc(F)ccc1F)c1ccc(C#N)cc1F ZINC000512672888 340372497 /nfs/dbraw/zinc/37/24/97/340372497.db2.gz NEIJKCZANQUBJQ-LLVKDONJSA-N 0 3 304.315 3.869 20 30 DHEDHN Cn1cc(CN[C@@H](Cc2ccccc2)c2ccccc2)cc1C#N ZINC000190691444 340546484 /nfs/dbraw/zinc/54/64/84/340546484.db2.gz VDGQCMGTXSUGPY-NRFANRHFSA-N 0 3 315.420 3.970 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)CC)CC1 ZINC000523433331 340623878 /nfs/dbraw/zinc/62/38/78/340623878.db2.gz NEFWYJDDSXVINW-SJLPKXTDSA-N 0 3 321.509 3.637 20 30 DHEDHN CC(C)(C#N)CCCN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762757 340732697 /nfs/dbraw/zinc/73/26/97/340732697.db2.gz UIYYZZISMKEBIK-UHFFFAOYSA-N 0 3 310.445 3.620 20 30 DHEDHN CC(C)(CCC#N)CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000529671025 340767490 /nfs/dbraw/zinc/76/74/90/340767490.db2.gz XECOVKMYKLOELA-UHFFFAOYSA-N 0 3 310.445 3.620 20 30 DHEDHN C=CCCOCCN[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000539052794 340867997 /nfs/dbraw/zinc/86/79/97/340867997.db2.gz NIPYKRIZMPTWBY-HNNXBMFYSA-N 0 3 315.335 3.755 20 30 DHEDHN Cc1ccccc1[C@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000539260124 340878745 /nfs/dbraw/zinc/87/87/45/340878745.db2.gz MFPBQBXTSMCQNE-HXUWFJFHSA-N 0 3 321.424 3.792 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccccc1C)C(C)C ZINC000539260031 340878859 /nfs/dbraw/zinc/87/88/59/340878859.db2.gz OIWLHYRSWBCDEF-LJQANCHMSA-N 0 3 302.462 3.706 20 30 DHEDHN CCCC[C@@H](COC)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000540186438 340921816 /nfs/dbraw/zinc/92/18/16/340921816.db2.gz CAJMMVDYHGWTCY-INIZCTEOSA-N 0 3 313.363 3.852 20 30 DHEDHN C=C(C)COCCNCc1cc(C)c(Br)s1 ZINC000129528368 340969656 /nfs/dbraw/zinc/96/96/56/340969656.db2.gz VCQLDTDLBZUCHD-UHFFFAOYSA-N 0 3 304.253 3.501 20 30 DHEDHN CCCC[C@@H](NCc1cccc(C(=O)OC)c1C#N)C1CCC1 ZINC000541596542 340976855 /nfs/dbraw/zinc/97/68/55/340976855.db2.gz CKLJFQQILAFNFF-GOSISDBHSA-N 0 3 314.429 3.793 20 30 DHEDHN COC(=O)c1cccc(CN[C@@H](C)[C@@H](C)c2ccccc2)c1C#N ZINC000541611113 340977648 /nfs/dbraw/zinc/97/76/48/340977648.db2.gz HDDANHWACGFNTH-CABCVRRESA-N 0 3 322.408 3.627 20 30 DHEDHN COc1cccc(OCCN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542324308 341005301 /nfs/dbraw/zinc/00/53/01/341005301.db2.gz XGTSRZNGBAENMX-UHFFFAOYSA-N 0 3 322.408 3.610 20 30 DHEDHN C[C@H](NCc1cccc(C#N)c1F)[C@H]1Oc2ccccc2[C@H]1C ZINC000544515337 341084648 /nfs/dbraw/zinc/08/46/48/341084648.db2.gz WOSMHCSBPFRBAI-NQCMUKECSA-N 0 3 310.372 3.740 20 30 DHEDHN CCC[C@H]1CN(CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000131928088 341113637 /nfs/dbraw/zinc/11/36/37/341113637.db2.gz MBIDOYQLPUUEPO-KRWDZBQOSA-N 0 3 318.509 3.652 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000131936315 341113835 /nfs/dbraw/zinc/11/38/35/341113835.db2.gz BFGNABXAVOUDGN-INIZCTEOSA-N 0 3 306.494 3.750 20 30 DHEDHN C=CC[C@H](CO)NCc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000545254093 341117554 /nfs/dbraw/zinc/11/75/54/341117554.db2.gz NJKMUESZHPMKBP-MRXNPFEDSA-N 0 3 313.397 3.514 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2cccc(C3CCC3)c2)nc(C)n1 ZINC000545266037 341118176 /nfs/dbraw/zinc/11/81/76/341118176.db2.gz DOSFKBVYTKCUQQ-QGZVFWFLSA-N 0 3 305.381 3.851 20 30 DHEDHN C=CCCCN(C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000076737657 341213330 /nfs/dbraw/zinc/21/33/30/341213330.db2.gz MFTAQDYRCYFRLO-HNNXBMFYSA-N 0 3 314.429 3.850 20 30 DHEDHN N#Cc1ccc(OCCNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000237840224 341221797 /nfs/dbraw/zinc/22/17/97/341221797.db2.gz WAMCAYYDFZKZHV-UHFFFAOYSA-N 0 3 320.314 3.746 20 30 DHEDHN N#Cc1cccc(C2(NC/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000551227744 341334469 /nfs/dbraw/zinc/33/44/69/341334469.db2.gz RXRFHOYSEODZAP-QPJJXVBHSA-N 0 3 319.364 3.759 20 30 DHEDHN C=CCC(C)(C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000551248083 341335568 /nfs/dbraw/zinc/33/55/68/341335568.db2.gz LINNJWWWCKJLDO-KRWDZBQOSA-N 0 3 314.473 3.712 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248831205 341387991 /nfs/dbraw/zinc/38/79/91/341387991.db2.gz MNUDXSPOTWBJLA-KVPRVUCYSA-N 0 3 322.811 3.981 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000090884077 341420053 /nfs/dbraw/zinc/42/00/53/341420053.db2.gz CXXORWMMFYVUIR-NSHDSACASA-N 0 3 303.324 3.670 20 30 DHEDHN C=C(C)COc1cc(CN[C@@H]2CSC2(C)C)ccc1OC ZINC000554939020 341469948 /nfs/dbraw/zinc/46/99/48/341469948.db2.gz ZIDFPFFGLRQBKY-MRXNPFEDSA-N 0 3 307.459 3.634 20 30 DHEDHN COc1cc(CN[C@@H]2c3cc(C)ccc3C[C@@H]2C)ccc1C#N ZINC000565152972 341518460 /nfs/dbraw/zinc/51/84/60/341518460.db2.gz LNBIKLUUMKKEGB-XOBRGWDASA-N 0 3 306.409 3.898 20 30 DHEDHN N#Cc1ccc2ncc(CN[C@@H](c3cccs3)C3CC3)n2c1 ZINC000566396805 341556350 /nfs/dbraw/zinc/55/63/50/341556350.db2.gz FJZNORMALWKJCF-QGZVFWFLSA-N 0 3 308.410 3.508 20 30 DHEDHN N#Cc1ccc(CNCCOCc2ccc(Cl)cc2)s1 ZINC000158498209 341658117 /nfs/dbraw/zinc/65/81/17/341658117.db2.gz NCOMPRXSFFCLME-UHFFFAOYSA-N 0 3 306.818 3.580 20 30 DHEDHN CC1CCC(Oc2cc(CN[C@@H]3CC[C@@H](C#N)C3)ccn2)CC1 ZINC000573066544 341715803 /nfs/dbraw/zinc/71/58/03/341715803.db2.gz BXHWBOUZMSYLDK-CQDXFGNVSA-N 0 3 313.445 3.821 20 30 DHEDHN N#CCCCCNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000174417535 341826730 /nfs/dbraw/zinc/82/67/30/341826730.db2.gz ZNLOPFAJDVRJFU-MRXNPFEDSA-N 0 3 322.836 3.681 20 30 DHEDHN C=CC[C@H](C(=O)N(C)[C@H](C)C1CCN(C)CC1)c1ccccc1 ZINC000576826310 341865109 /nfs/dbraw/zinc/86/51/09/341865109.db2.gz NERQGLPXEMCYKB-APWZRJJASA-N 0 3 314.473 3.535 20 30 DHEDHN C=CC[C@H](C(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1ccccc1 ZINC000576826312 341865129 /nfs/dbraw/zinc/86/51/29/341865129.db2.gz NERQGLPXEMCYKB-LPHOPBHVSA-N 0 3 314.473 3.535 20 30 DHEDHN N#Cc1csc(CNC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000177680263 341923482 /nfs/dbraw/zinc/92/34/82/341923482.db2.gz GFTFYOJMARUDRS-HNNXBMFYSA-N 0 3 317.483 3.608 20 30 DHEDHN CC(C)(C)C1=CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000340191981 534541147 /nfs/dbraw/zinc/54/11/47/534541147.db2.gz OLXLCWGMHLPRMD-UHFFFAOYSA-N 0 3 311.429 3.565 20 30 DHEDHN COCCCCN[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364965019 523177175 /nfs/dbraw/zinc/17/71/75/523177175.db2.gz SBRUOOLTRTVEJX-CYBMUJFWSA-N 0 3 315.442 3.759 20 30 DHEDHN CN(Cc1ccccc1)CC(C)(C)NCc1ccccc1C#N ZINC000339508923 523343797 /nfs/dbraw/zinc/34/37/97/523343797.db2.gz SAYLQBJWRPHDFX-UHFFFAOYSA-N 0 3 307.441 3.558 20 30 DHEDHN COc1ccccc1O[C@@H](C)CN[C@@H](C)c1cccc(C#N)c1 ZINC000181831694 524689736 /nfs/dbraw/zinc/68/97/36/524689736.db2.gz ZWOGFGLQJQWMNG-GJZGRUSLSA-N 0 3 310.397 3.685 20 30 DHEDHN C[C@@H](NC[C@H](c1cccc(F)c1)N(C)C)c1ccc(C#N)cc1 ZINC000181388077 525499825 /nfs/dbraw/zinc/49/98/25/525499825.db2.gz HKSCEJZJRFSUTO-AUUYWEPGSA-N 0 3 311.404 3.651 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000338326892 526066587 /nfs/dbraw/zinc/06/65/87/526066587.db2.gz BPUHNLYUUPKZDR-UWJYYQICSA-N 0 3 320.436 3.645 20 30 DHEDHN N#Cc1ccc(CNCCCCOc2ccc(Cl)cc2)o1 ZINC000266200462 526623057 /nfs/dbraw/zinc/62/30/57/526623057.db2.gz LCWXCAMKEWYTNI-UHFFFAOYSA-N 0 3 304.777 3.753 20 30 DHEDHN N#Cc1ccc(CNCc2ccccc2N2CCCCC2)cc1 ZINC000237842890 526625744 /nfs/dbraw/zinc/62/57/44/526625744.db2.gz ULRLSGOMIUPQLF-UHFFFAOYSA-N 0 3 305.425 3.838 20 30 DHEDHN N#Cc1cccc(CNCc2ccccc2N2CCCCC2)c1 ZINC000237846566 526709931 /nfs/dbraw/zinc/70/99/31/526709931.db2.gz GJPSADOWWFBLRV-UHFFFAOYSA-N 0 3 305.425 3.838 20 30 DHEDHN CC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000271830105 535911349 /nfs/dbraw/zinc/91/13/49/535911349.db2.gz UFCKPBZWUBBTRZ-ROUUACIJSA-N 0 3 316.351 3.611 20 30 DHEDHN C=CCC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819733921 607389997 /nfs/dbraw/zinc/38/99/97/607389997.db2.gz FLGVARXNYOTZQY-GOSISDBHSA-N 0 3 319.412 3.664 20 30 DHEDHN C=CCC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819733921 607389999 /nfs/dbraw/zinc/38/99/99/607389999.db2.gz FLGVARXNYOTZQY-GOSISDBHSA-N 0 3 319.412 3.664 20 30 DHEDHN C=CCC[C@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823893984 607910359 /nfs/dbraw/zinc/91/03/59/607910359.db2.gz CXQSJBGZBSCMEH-SFHVURJKSA-N 0 3 319.412 3.664 20 30 DHEDHN C=CCC[C@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823893984 607910360 /nfs/dbraw/zinc/91/03/60/607910360.db2.gz CXQSJBGZBSCMEH-SFHVURJKSA-N 0 3 319.412 3.664 20 30 DHEDHN C=CC[C@@H](C)N(CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000877932282 1033520654 /nfs/dbraw/zinc/52/06/54/1033520654.db2.gz ORJKPNGNSNBFNA-GFCCVEGCSA-N 0 3 314.351 3.930 20 30 DHEDHN C=CC[N@@H+](CCCCC(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573340957 947523711 /nfs/dbraw/zinc/52/37/11/947523711.db2.gz FKIGIVGFOPNRGN-UHFFFAOYSA-N 0 3 313.449 3.681 20 30 DHEDHN C=CC[N@H+](CCCCC(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573340957 947523725 /nfs/dbraw/zinc/52/37/25/947523725.db2.gz FKIGIVGFOPNRGN-UHFFFAOYSA-N 0 3 313.449 3.681 20 30 DHEDHN C=CC[N@@H+](CCCCC(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573340957 947523739 /nfs/dbraw/zinc/52/37/39/947523739.db2.gz FKIGIVGFOPNRGN-UHFFFAOYSA-N 0 3 313.449 3.681 20 30 DHEDHN C=CC[N@H+](CCCCC(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573340957 947523751 /nfs/dbraw/zinc/52/37/51/947523751.db2.gz FKIGIVGFOPNRGN-UHFFFAOYSA-N 0 3 313.449 3.681 20 30 DHEDHN C=CCCCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001625841829 1013219051 /nfs/dbraw/zinc/21/90/51/1013219051.db2.gz LCQMJEPLXHVGNN-UHFFFAOYSA-N 0 3 300.446 3.759 20 30 DHEDHN C[C@H](NCc1cc(C#N)cs1)[C@H](O)c1c(F)cccc1Cl ZINC000748099034 1013312222 /nfs/dbraw/zinc/31/22/22/1013312222.db2.gz BQZCCBDNOHHDKD-VFZGTOFNSA-N 0 3 324.808 3.624 20 30 DHEDHN C[C@@H](NCc1cc(C#N)cs1)[C@@H](O)c1c(F)cccc1Cl ZINC000748099032 1013313124 /nfs/dbraw/zinc/31/31/24/1013313124.db2.gz BQZCCBDNOHHDKD-RFAUZJTJSA-N 0 3 324.808 3.624 20 30 DHEDHN CC(C)OC(=O)C[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000894490723 1013388272 /nfs/dbraw/zinc/38/82/72/1013388272.db2.gz SHISVWUOBKNOCK-RDJZCZTQSA-N 0 3 316.445 3.987 20 30 DHEDHN Fc1ccc(-c2ncc(CN3CCC(S)CC3)s2)cc1 ZINC001140096330 1013427443 /nfs/dbraw/zinc/42/74/43/1013427443.db2.gz QNGIJDGPTIZDIY-UHFFFAOYSA-N 0 3 308.447 3.843 20 30 DHEDHN C=CCOc1ccc(CN[C@H](C)CC(F)(F)F)cc1OC ZINC000361737668 1032073173 /nfs/dbraw/zinc/07/31/73/1032073173.db2.gz ZNHJHNXGCMKOBL-LLVKDONJSA-N 0 3 303.324 3.691 20 30 DHEDHN C[C@@H](NCCSCC(F)(F)F)c1ccc(C#N)cc1F ZINC000358598725 1013507946 /nfs/dbraw/zinc/50/79/46/1013507946.db2.gz ZFGVCYGCGZYEHM-SECBINFHSA-N 0 3 306.328 3.643 20 30 DHEDHN N#Cc1csc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000120851381 1013527593 /nfs/dbraw/zinc/52/75/93/1013527593.db2.gz CYOGWRFTKILPIA-RDTXWAMCSA-N 0 3 312.438 3.877 20 30 DHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000151373861 1013545264 /nfs/dbraw/zinc/54/52/64/1013545264.db2.gz SMOQUYCVUYLTDW-CYBMUJFWSA-N 0 3 319.408 3.639 20 30 DHEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000683523777 1013589346 /nfs/dbraw/zinc/58/93/46/1013589346.db2.gz ASELDCDYANDXET-JXFKEZNVSA-N 0 3 311.425 3.853 20 30 DHEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1coc(C2CCCCC2)n1 ZINC000328759053 1013795214 /nfs/dbraw/zinc/79/52/14/1013795214.db2.gz WMIYMACJHPNIAO-IUODEOHRSA-N 0 3 317.433 3.510 20 30 DHEDHN N#Cc1ccc(F)c(CN(C[C@H]2CCCO2)C2CCCC2)c1 ZINC000441434366 1013827718 /nfs/dbraw/zinc/82/77/18/1013827718.db2.gz JNNLKJMSEJNXBS-QGZVFWFLSA-N 0 3 302.393 3.621 20 30 DHEDHN C=CCc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(OC)c1O ZINC000610344955 1013954079 /nfs/dbraw/zinc/95/40/79/1013954079.db2.gz OXQYBZFKJQDWFL-AWEZNQCLSA-N 0 3 322.408 3.852 20 30 DHEDHN C=C(C)COCCN[C@H](C)c1ccc(Br)cc1F ZINC000163557307 1014246215 /nfs/dbraw/zinc/24/62/15/1014246215.db2.gz BDOWCTNLGNSITM-LLVKDONJSA-N 0 3 316.214 3.832 20 30 DHEDHN CC(C)C[C@@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441550553 1014327226 /nfs/dbraw/zinc/32/72/26/1014327226.db2.gz SAQUUZQFBJDOHP-INIZCTEOSA-N 0 3 310.401 3.619 20 30 DHEDHN C=CCC[C@@H](N[C@@H]1CCCN(C(C)C)C1=O)c1ccccc1 ZINC000684095246 1014402386 /nfs/dbraw/zinc/40/23/86/1014402386.db2.gz SMFALUUOHSJDSC-QZTJIDSGSA-N 0 3 300.446 3.683 20 30 DHEDHN COc1ccccc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001203438554 1014434493 /nfs/dbraw/zinc/43/44/93/1014434493.db2.gz KEMRTABGXGSTQC-UHFFFAOYSA-N 0 3 305.421 3.959 20 30 DHEDHN CCN1CCN(c2ccc(N=Cc3ccccc3O)c(C)c2)CC1 ZINC000255269803 1014577415 /nfs/dbraw/zinc/57/74/15/1014577415.db2.gz CONDHTODXXBRQU-UHFFFAOYSA-N 0 3 323.440 3.593 20 30 DHEDHN Cc1ccc(C[C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccccn2)cc1 ZINC000442763675 1014726526 /nfs/dbraw/zinc/72/65/26/1014726526.db2.gz BHSMLJDPZRFDMY-HBFSDRIKSA-N 0 3 305.425 3.956 20 30 DHEDHN COc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1OC1CCCC1 ZINC000442794296 1014735105 /nfs/dbraw/zinc/73/51/05/1014735105.db2.gz SUNMRFYLDPBMMN-HOCLYGCPSA-N 0 3 314.429 3.798 20 30 DHEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@H](C)c1cccc(O)c1 ZINC000442799971 1014737371 /nfs/dbraw/zinc/73/73/71/1014737371.db2.gz JJAZHQZEYWRZPJ-CQSZACIVSA-N 0 3 310.397 3.856 20 30 DHEDHN C[C@H](Cc1cccc(F)c1)N(C)Cc1cc(C#N)ccc1F ZINC000487423044 1014792390 /nfs/dbraw/zinc/79/23/90/1014792390.db2.gz VPLFACXBWSBEKZ-CYBMUJFWSA-N 0 3 300.352 3.899 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CC)c1ccc(C)cc1 ZINC000341036299 1014837158 /nfs/dbraw/zinc/83/71/58/1014837158.db2.gz JQFNJFOSYHJTHB-WMZOPIPTSA-N 0 3 302.462 3.849 20 30 DHEDHN Cc1cccc(C(C)(C)NCc2cnc3ccc(C#N)cn23)c1 ZINC000522019970 1014863037 /nfs/dbraw/zinc/86/30/37/1014863037.db2.gz QNUGTIUGSSSORN-UHFFFAOYSA-N 0 3 304.397 3.539 20 30 DHEDHN C=CCCOCCNCc1cc(Br)c(Cl)s1 ZINC000191488765 1015074989 /nfs/dbraw/zinc/07/49/89/1015074989.db2.gz AGZQJLSXBHIQNX-UHFFFAOYSA-N 0 3 324.671 3.846 20 30 DHEDHN C=CCN(CCN(C)CCc1ccccc1)C(=O)OC(C)(C)C ZINC001207199692 1015081181 /nfs/dbraw/zinc/08/11/81/1015081181.db2.gz QKASUTRAKKQICE-UHFFFAOYSA-N 0 3 318.461 3.584 20 30 DHEDHN COc1ccc(CN2CCC[C@@H](CF)C2)cc1OCCCC#N ZINC000895545525 1015200377 /nfs/dbraw/zinc/20/03/77/1015200377.db2.gz GJHIXSGCFUIZOU-INIZCTEOSA-N 0 3 320.408 3.559 20 30 DHEDHN C=CCCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000474685801 1015540840 /nfs/dbraw/zinc/54/08/40/1015540840.db2.gz HNTFCQJWAFTVPI-QGZVFWFLSA-N 0 3 318.436 3.510 20 30 DHEDHN C[C@@H]1CC[C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000248588470 1015753315 /nfs/dbraw/zinc/75/33/15/1015753315.db2.gz YNNPBOKGUUXWOT-DVOMOZLQSA-N 0 3 310.401 3.523 20 30 DHEDHN CC[C@H](NCCOc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000341856708 1015774441 /nfs/dbraw/zinc/77/44/41/1015774441.db2.gz ZXVFUYNTKKZDNV-SFHVURJKSA-N 0 3 316.351 3.956 20 30 DHEDHN COCCOc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610829963 1015879908 /nfs/dbraw/zinc/87/99/08/1015879908.db2.gz UNQLGJJDBWNNIB-HOTGVXAUSA-N 0 3 324.424 3.995 20 30 DHEDHN C=CCC1(NC(=O)NC2CCN(CC(=C)C)CC2)CCCCC1 ZINC000458320636 1015979192 /nfs/dbraw/zinc/97/91/92/1015979192.db2.gz MOMJEHJDPQQVRN-UHFFFAOYSA-N 0 3 319.493 3.605 20 30 DHEDHN CC(C)(NCc1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000610992422 1016001758 /nfs/dbraw/zinc/00/17/58/1016001758.db2.gz CQINBXFBJXCVRI-UHFFFAOYSA-N 0 3 319.330 3.997 20 30 DHEDHN N#Cc1cc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)ccn1 ZINC000610993183 1016005194 /nfs/dbraw/zinc/00/51/94/1016005194.db2.gz GZABEDGRBPOFGD-KRWDZBQOSA-N 0 3 316.408 3.814 20 30 DHEDHN Cc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c(C)[nH]1 ZINC000684675784 1016170986 /nfs/dbraw/zinc/17/09/86/1016170986.db2.gz OPINWEOPKNSGIO-LBPRGKRZSA-N 0 3 301.415 3.876 20 30 DHEDHN CC(C)(CCC#N)CNCc1cc(O)ccc1Br ZINC000342289398 1016236759 /nfs/dbraw/zinc/23/67/59/1016236759.db2.gz BVOCRYODQBSAPD-UHFFFAOYSA-N 0 3 311.223 3.574 20 30 DHEDHN CN(C)[C@H](CNc1cc(Cl)ccc1C#N)c1ccsc1 ZINC000346425314 1016402797 /nfs/dbraw/zinc/40/27/97/1016402797.db2.gz YNULCZASMFJARS-OAHLLOKOSA-N 0 3 305.834 3.988 20 30 DHEDHN C=CCCn1cc(CN[C@@H](CC)Cc2ccc(Cl)cc2)nn1 ZINC000657363885 1016476536 /nfs/dbraw/zinc/47/65/36/1016476536.db2.gz RFWLRSZSVALLPI-INIZCTEOSA-N 0 3 318.852 3.619 20 30 DHEDHN COCc1ccc([C@@H]2CCCN2Cc2ccc(CC#N)cc2)o1 ZINC000342474060 1016558343 /nfs/dbraw/zinc/55/83/43/1016558343.db2.gz ZXHUMVWYHSTQNY-SFHVURJKSA-N 0 3 310.397 3.829 20 30 DHEDHN C=CCOc1ccc(CNCc2cc(COC)cs2)cc1 ZINC000657461082 1016915448 /nfs/dbraw/zinc/91/54/48/1016915448.db2.gz PYMLEVWGYPJJAW-UHFFFAOYSA-N 0 3 303.427 3.749 20 30 DHEDHN C=CCOCCN[C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000611622744 1016947081 /nfs/dbraw/zinc/94/70/81/1016947081.db2.gz PLDHMDSGAOPQLI-AWEZNQCLSA-N 0 3 319.392 3.902 20 30 DHEDHN CC(C)C1(c2ccccc2)CN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000840776017 1016964970 /nfs/dbraw/zinc/96/49/70/1016964970.db2.gz JAYBLEILVAHUMB-HXUWFJFHSA-N 0 3 320.436 3.501 20 30 DHEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)[C@@H]1COc2ccccc21 ZINC000185582606 1017024343 /nfs/dbraw/zinc/02/43/43/1017024343.db2.gz FBCMJTPNZMTQPQ-KDOFPFPSSA-N 0 3 311.812 3.846 20 30 DHEDHN C=CCCCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC001168324317 1032270354 /nfs/dbraw/zinc/27/03/54/1032270354.db2.gz KDZGYDPUZBMIHG-UHFFFAOYSA-N 0 3 323.278 3.533 20 30 DHEDHN C#CCOc1ccccc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772988279 1032372801 /nfs/dbraw/zinc/37/28/01/1032372801.db2.gz NSFNTXNDCNYSFB-INIZCTEOSA-N 0 3 308.425 3.615 20 30 DHEDHN C=CCC(C)(C)CNCc1ncc(Br)cc1F ZINC000623532134 1017093119 /nfs/dbraw/zinc/09/31/19/1017093119.db2.gz DGFFEDUELPLGNB-UHFFFAOYSA-N 0 3 301.203 3.675 20 30 DHEDHN C=C(C)COc1cc(CN(C)C[C@H]2CCCCO2)ccc1OC ZINC000092428917 1032494443 /nfs/dbraw/zinc/49/44/43/1032494443.db2.gz IHXFCCFJKZVRMU-QGZVFWFLSA-N 0 3 319.445 3.651 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1ccc([S@](C)=O)cc1 ZINC000092505713 1032501442 /nfs/dbraw/zinc/50/14/42/1032501442.db2.gz FQUVIUOSVSSPIU-JOCHJYFZSA-N 0 3 313.466 3.655 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000773105504 1032560983 /nfs/dbraw/zinc/56/09/83/1032560983.db2.gz HMVXZKPQPQNWRL-HRAATJIYSA-N 0 3 320.436 3.536 20 30 DHEDHN C[C@H](CCC(=O)C(C#N)C(=O)Nc1ccccc1)c1ccccc1 ZINC000160160240 1011903589 /nfs/dbraw/zinc/90/35/89/1011903589.db2.gz LRVORJWBHZSFKM-QAPCUYQASA-N 0 3 320.392 3.918 20 30 DHEDHN C[C@@H](CCC(=O)C(C#N)C(=O)Nc1ccccc1)c1ccccc1 ZINC000160159864 1011906056 /nfs/dbraw/zinc/90/60/56/1011906056.db2.gz LRVORJWBHZSFKM-MAUKXSAKSA-N 0 3 320.392 3.918 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000424555928 1012041697 /nfs/dbraw/zinc/04/16/97/1012041697.db2.gz GFNZEDGKRVHLBL-CQSZACIVSA-N 0 3 306.475 3.604 20 30 DHEDHN N#CCC1(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000516640662 1012807234 /nfs/dbraw/zinc/80/72/34/1012807234.db2.gz IVGUCRNJCZNMKK-QGZVFWFLSA-N 0 3 306.413 3.533 20 30 DHEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000516998458 1012884854 /nfs/dbraw/zinc/88/48/54/1012884854.db2.gz TZZPWTRBDLMQBL-JZKQVHKSSA-N 0 3 322.408 3.610 20 30 DHEDHN COc1cccc2c1CC[C@H]2N[C@H]1CCc2ccc(C#N)cc21 ZINC000516999998 1012890080 /nfs/dbraw/zinc/89/00/80/1012890080.db2.gz KFGIOPRLJDUDTG-MOPGFXCFSA-N 0 3 304.393 3.831 20 30 DHEDHN C=CCCN(C)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000348419272 1032681269 /nfs/dbraw/zinc/68/12/69/1032681269.db2.gz VQPWRQFTMIEQBR-UHFFFAOYSA-N 0 3 309.335 3.899 20 30 DHEDHN C=CCN(CCC(=O)Nc1ccccc1)Cc1ccc(OC)cc1 ZINC000054272471 1017288108 /nfs/dbraw/zinc/28/81/08/1017288108.db2.gz PJRUYKHXZFEKCO-UHFFFAOYSA-N 0 3 324.424 3.712 20 30 DHEDHN C=CCC[C@H](NCC(=O)Nc1ccccc1OC)c1ccccc1 ZINC000180038523 1017357721 /nfs/dbraw/zinc/35/77/21/1017357721.db2.gz MOUPNTDXQZHKJJ-KRWDZBQOSA-N 0 3 324.424 3.931 20 30 DHEDHN C[C@@H]1CCC[C@@H](C)N(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075767287 1017361645 /nfs/dbraw/zinc/36/16/45/1017361645.db2.gz XALJPBBYEXPPKW-ZIAGYGMSSA-N 0 3 310.401 3.619 20 30 DHEDHN C[C@@H]1CCC[C@H](C)CN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075767288 1017363942 /nfs/dbraw/zinc/36/39/42/1017363942.db2.gz XALJPBBYEXPPKW-UONOGXRCSA-N 0 3 310.401 3.619 20 30 DHEDHN CC(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000121872997 1017426978 /nfs/dbraw/zinc/42/69/78/1017426978.db2.gz QOLOTDYWXIGRSZ-ZDUSSCGKSA-N 0 3 304.353 3.571 20 30 DHEDHN COCC1(C#N)CCN(Cc2c(OC)ccc3ccccc32)CC1 ZINC000342837889 1017540195 /nfs/dbraw/zinc/54/01/95/1017540195.db2.gz LKJCGGCGSBIPGV-UHFFFAOYSA-N 0 3 324.424 3.601 20 30 DHEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCCO1 ZINC000623918048 1017586674 /nfs/dbraw/zinc/58/66/74/1017586674.db2.gz GCCXGJJBQKBXMQ-BBRMVZONSA-N 0 3 311.347 3.604 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CO)c1ccccc1C(F)(F)F ZINC000897330092 1017677795 /nfs/dbraw/zinc/67/77/95/1017677795.db2.gz FOHXXNGSVSBYOU-SMDDNHRTSA-N 0 3 314.351 3.657 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2[C@H](C)CC)CC1 ZINC000523433329 1017690850 /nfs/dbraw/zinc/69/08/50/1017690850.db2.gz NEFWYJDDSXVINW-AEFFLSMTSA-N 0 3 321.509 3.637 20 30 DHEDHN CC[C@H](NCc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000268780499 1017732194 /nfs/dbraw/zinc/73/21/94/1017732194.db2.gz TWYSDGHZCKTUSJ-KRWDZBQOSA-N 0 3 310.397 3.816 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000523750197 1017783114 /nfs/dbraw/zinc/78/31/14/1017783114.db2.gz VRTXRFAOMMQKLZ-SJORKVTESA-N 0 3 321.509 3.543 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000523750195 1017786038 /nfs/dbraw/zinc/78/60/38/1017786038.db2.gz VRTXRFAOMMQKLZ-IAGOWNOFSA-N 0 3 321.509 3.543 20 30 DHEDHN CC[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC000182277727 1017886520 /nfs/dbraw/zinc/88/65/20/1017886520.db2.gz SAXAHFRPMJGYEX-HZPDHXFCSA-N 0 3 311.347 3.604 20 30 DHEDHN COc1cc(CN[C@H](c2ccc(F)cc2)C2CC2)ccc1C#N ZINC000573144134 1017967111 /nfs/dbraw/zinc/96/71/11/1017967111.db2.gz QTESIOLFHDRROP-IBGZPJMESA-N 0 3 310.372 3.947 20 30 DHEDHN C=CCOc1cccc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)c1 ZINC000858010990 1032741770 /nfs/dbraw/zinc/74/17/70/1032741770.db2.gz IQLJARYIBUMDPK-LJQANCHMSA-N 0 3 324.424 3.608 20 30 DHEDHN CC[C@H](C)N[C@H](CNc1cccc(F)c1C#N)c1ccco1 ZINC000343251282 1018500336 /nfs/dbraw/zinc/50/03/36/1018500336.db2.gz OCQRCZNLSIFQCU-BLLLJJGKSA-N 0 3 301.365 3.832 20 30 DHEDHN C=CCN1CCC(NC(=O)C=C2CCC(C(C)(C)C)CC2)CC1 ZINC000765432403 1018786368 /nfs/dbraw/zinc/78/63/68/1018786368.db2.gz UINCTJRZDQDGRM-UHFFFAOYSA-N 0 3 318.505 3.916 20 30 DHEDHN C=CCC1(NCc2cn(C)nc2Br)CCCCC1 ZINC000858172381 1032788386 /nfs/dbraw/zinc/78/83/86/1032788386.db2.gz SHUJFUHYJXVRGY-UHFFFAOYSA-N 0 3 312.255 3.551 20 30 DHEDHN N#Cc1cccc(NC(=O)CN2CCC[C@H]2CC2CCCC2)c1 ZINC001171631593 1032794066 /nfs/dbraw/zinc/79/40/66/1032794066.db2.gz NPDBNKXVCUSEOM-SFHVURJKSA-N 0 3 311.429 3.541 20 30 DHEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611804868 1018930404 /nfs/dbraw/zinc/93/04/04/1018930404.db2.gz GHZJGNGRCQLCJB-FOIQADDNSA-N 0 3 306.409 3.813 20 30 DHEDHN N#CC(C(=O)C=CC1CCCCC1)c1cnc2ccccc2n1 ZINC000588587834 1018964982 /nfs/dbraw/zinc/96/49/82/1018964982.db2.gz SVQMWBWIHPVYFZ-WOLCWHLNSA-N 0 3 305.381 3.943 20 30 DHEDHN N#Cc1ccccc1OCCN1CC[C@H](c2cccc(F)c2)C1 ZINC000584247716 1019050143 /nfs/dbraw/zinc/05/01/43/1019050143.db2.gz GJIUQFTYKBBBSZ-KRWDZBQOSA-N 0 3 310.372 3.566 20 30 DHEDHN Cc1ccc(CON=Cc2ccc(N3CCOCC3)cc2)cc1C ZINC000588593170 1019086001 /nfs/dbraw/zinc/08/60/01/1019086001.db2.gz VTCGYDULRBEXII-UHFFFAOYSA-N 0 3 324.424 3.691 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2 ZINC000063995197 1019096785 /nfs/dbraw/zinc/09/67/85/1019096785.db2.gz OKHFKMPYDYYQML-UHFFFAOYSA-N 0 3 322.408 3.740 20 30 DHEDHN CN(C)c1cccc(CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000611245312 1019422018 /nfs/dbraw/zinc/42/20/18/1019422018.db2.gz HHEAKIXSMFDDDJ-UHFFFAOYSA-N 0 3 317.436 3.914 20 30 DHEDHN CCN(Cc1ccc(N(C)C)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256429 1019423622 /nfs/dbraw/zinc/42/36/22/1019423622.db2.gz OFTNRLBMQXAFLF-HNNXBMFYSA-N 0 3 308.429 3.602 20 30 DHEDHN COc1ccc([C@H]2C[C@H](NCC3(C#N)CCCC3)CCO2)cc1 ZINC001168577251 1019431540 /nfs/dbraw/zinc/43/15/40/1019431540.db2.gz OPUHAUFFZGRMJW-SJLPKXTDSA-N 0 3 314.429 3.589 20 30 DHEDHN CC(=O)Nc1cccc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390685 1019465283 /nfs/dbraw/zinc/46/52/83/1019465283.db2.gz OLOPTWBAGGLCEP-FQEVSTJZSA-N 0 3 319.408 3.684 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2c(c1)COC2 ZINC000611394575 1019468717 /nfs/dbraw/zinc/46/87/17/1019468717.db2.gz QOXKTMKYGQFTRD-FQEVSTJZSA-N 0 3 304.393 3.756 20 30 DHEDHN CN1Cc2ccccc2[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611394692 1019471392 /nfs/dbraw/zinc/47/13/92/1019471392.db2.gz WPZQDBQGRBBCAV-NHCUHLMSSA-N 0 3 317.436 3.712 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000611465854 1019492665 /nfs/dbraw/zinc/49/26/65/1019492665.db2.gz UXTWVFRLJSDAEG-GHMZBOCLSA-N 0 3 324.359 3.691 20 30 DHEDHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCOc1ccc(C#N)cc1 ZINC000611554890 1019517346 /nfs/dbraw/zinc/51/73/46/1019517346.db2.gz ALOCJSKWYGHUEY-JSGCOSHPSA-N 0 3 312.335 3.600 20 30 DHEDHN Cc1nn(C)c(C)c1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000350629303 1019540236 /nfs/dbraw/zinc/54/02/36/1019540236.db2.gz MXZRAOZZFFAYBT-UHFFFAOYSA-N 0 3 310.445 3.567 20 30 DHEDHN CCN(CC)[C@@H](CNc1ncc(C#N)cc1Cl)c1ccco1 ZINC000078613116 1019550927 /nfs/dbraw/zinc/55/09/27/1019550927.db2.gz WNKPKICFNPHKGA-AWEZNQCLSA-N 0 3 318.808 3.695 20 30 DHEDHN COc1ccc(CNCc2cccc(C#N)c2)cc1OCC(C)C ZINC000066972017 1019656977 /nfs/dbraw/zinc/65/69/77/1019656977.db2.gz OJQJAMNDBRTMEZ-UHFFFAOYSA-N 0 3 324.424 3.891 20 30 DHEDHN O[C@H](C[C@@H]1CCCN1CC#Cc1ccccc1)c1ccc(F)cc1 ZINC000248840209 1019682219 /nfs/dbraw/zinc/68/22/19/1019682219.db2.gz LDYQXTOPZBDBJS-LEWJYISDSA-N 0 3 323.411 3.765 20 30 DHEDHN C=CCC[C@H](N[C@@H]1COc2c(cccc2OC)C1)c1ccco1 ZINC000671745862 1019907680 /nfs/dbraw/zinc/90/76/80/1019907680.db2.gz QIWIZTPTWJDGGB-HOTGVXAUSA-N 0 3 313.397 3.889 20 30 DHEDHN CCC#C[C@@H](C)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000685591422 1019967726 /nfs/dbraw/zinc/96/77/26/1019967726.db2.gz SHSFLZCCKYIZPT-CYBMUJFWSA-N 0 3 300.377 3.948 20 30 DHEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000922300913 1019978442 /nfs/dbraw/zinc/97/84/42/1019978442.db2.gz WFSZWOPWWRNGDX-CVEARBPZSA-N 0 3 320.364 3.518 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc2c1CCOC2 ZINC000922307838 1019986888 /nfs/dbraw/zinc/98/68/88/1019986888.db2.gz KOVDYGCUNURGNL-UHFFFAOYSA-N 0 3 306.409 3.538 20 30 DHEDHN C=CCOc1cccc(CNCc2c(C)cc(CO)cc2C)c1 ZINC000922562157 1020127660 /nfs/dbraw/zinc/12/76/60/1020127660.db2.gz YLQXSSNFDCANBG-UHFFFAOYSA-N 0 3 311.425 3.650 20 30 DHEDHN CC1(C)CCc2cc(CNCc3cccc(C#N)c3)ccc2O1 ZINC000731676621 1020137562 /nfs/dbraw/zinc/13/75/62/1020137562.db2.gz CGYUJAMVDKSDOT-UHFFFAOYSA-N 0 3 306.409 3.952 20 30 DHEDHN C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])[N@H+](C)Cc1ccccc1 ZINC000731938604 1020179451 /nfs/dbraw/zinc/17/94/51/1020179451.db2.gz VTUQOUZUDHHOBZ-PVGUKEHMSA-N 0 3 316.832 3.985 20 30 DHEDHN C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])[N@@H+](C)Cc1ccccc1 ZINC000731938604 1020179455 /nfs/dbraw/zinc/17/94/55/1020179455.db2.gz VTUQOUZUDHHOBZ-PVGUKEHMSA-N 0 3 316.832 3.985 20 30 DHEDHN COc1cc(CNCc2ccc(C)c(C#N)c2)ccc1OC(C)C ZINC000922760778 1020254480 /nfs/dbraw/zinc/25/44/80/1020254480.db2.gz CTLVRCVSIMBIEM-UHFFFAOYSA-N 0 3 324.424 3.952 20 30 DHEDHN N#Cc1ccc(F)c(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000280917610 1020315599 /nfs/dbraw/zinc/31/55/99/1020315599.db2.gz GBNJRQSDYUSBOE-BHIYHBOVSA-N 0 3 316.420 3.603 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cc(CCC)c(C)s2)CC1 ZINC000106038834 1020389275 /nfs/dbraw/zinc/38/92/75/1020389275.db2.gz IMYOSEAAAWBMFH-UHFFFAOYSA-N 0 3 320.502 3.779 20 30 DHEDHN COc1ccc([C@@H]2C[C@H](NC3(CC#N)CCCC3)CCO2)cc1 ZINC001168629158 1020404050 /nfs/dbraw/zinc/40/40/50/1020404050.db2.gz IFNKREWPFJWVRO-AEFFLSMTSA-N 0 3 314.429 3.731 20 30 DHEDHN C=CC[C@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccncc1 ZINC000766020119 1020461073 /nfs/dbraw/zinc/46/10/73/1020461073.db2.gz OXJOTPLSBKIMPZ-BEFAXECRSA-N 0 3 319.412 3.630 20 30 DHEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(OCC#N)cc1 ZINC000780384418 1020570788 /nfs/dbraw/zinc/57/07/88/1020570788.db2.gz HZBWYGAPLPDTNF-OCCSQVGLSA-N 0 3 312.335 3.752 20 30 DHEDHN CCCCCCCCCN(C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000734285166 1020581388 /nfs/dbraw/zinc/58/13/88/1020581388.db2.gz HFJNUPXTMJHRQY-INIZCTEOSA-N 0 3 309.498 3.615 20 30 DHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1F ZINC000365271658 1020585820 /nfs/dbraw/zinc/58/58/20/1020585820.db2.gz GZECBZNHCRALPJ-HKUYNNGSSA-N 0 3 310.372 3.565 20 30 DHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1F ZINC000365271662 1020586643 /nfs/dbraw/zinc/58/66/43/1020586643.db2.gz GZECBZNHCRALPJ-MJGOQNOKSA-N 0 3 310.372 3.565 20 30 DHEDHN C=CC[C@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccncc1 ZINC000734516096 1020619667 /nfs/dbraw/zinc/61/96/67/1020619667.db2.gz UCSIFGHBLBQPOM-SFHVURJKSA-N 0 3 324.428 3.582 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000337213877 1032919638 /nfs/dbraw/zinc/91/96/38/1032919638.db2.gz DOKGTOFHHFSFBH-LSDHHAIUSA-N 0 3 318.486 3.648 20 30 DHEDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C)CC(C)(C)C#N ZINC000924570026 1020882139 /nfs/dbraw/zinc/88/21/39/1020882139.db2.gz MBOAJIWZFQRNCN-CQSZACIVSA-N 0 3 310.445 3.907 20 30 DHEDHN Cn1cccc1CNCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740010774 1020925523 /nfs/dbraw/zinc/92/55/23/1020925523.db2.gz HZTKZYDXMYNBHU-UHFFFAOYSA-N 0 3 307.422 3.915 20 30 DHEDHN CCOc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1[N+](=O)[O-] ZINC000414161604 1020949332 /nfs/dbraw/zinc/94/93/32/1020949332.db2.gz FTKKTDJVRYBKTB-GFCCVEGCSA-N 0 3 305.378 3.584 20 30 DHEDHN COC[C@H](NCC(C)(C)CC#N)c1cccc(C(F)(F)F)c1 ZINC000414174489 1020961899 /nfs/dbraw/zinc/96/18/99/1020961899.db2.gz XZCZHSKSYCWLRD-AWEZNQCLSA-N 0 3 314.351 3.922 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000464435719 1020964271 /nfs/dbraw/zinc/96/42/71/1020964271.db2.gz GDTPVPHTCCFXTI-XYJFISCASA-N 0 3 300.446 3.540 20 30 DHEDHN N#CCCCOc1cccc(CN[C@@H]2CCc3c2cccc3O)c1 ZINC000105486681 1021165774 /nfs/dbraw/zinc/16/57/74/1021165774.db2.gz AQCKZLYGHXLFKL-LJQANCHMSA-N 0 3 322.408 3.852 20 30 DHEDHN C[C@H]1Cc2cc(C(=O)C(C#N)c3nc(C4CC4)cs3)ccc2O1 ZINC000659116535 1021179331 /nfs/dbraw/zinc/17/93/31/1021179331.db2.gz ZZMUBIWOTHIGOC-IINYFYTJSA-N 0 3 324.405 3.834 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC[C@H](SC)C2)c([O-])c1 ZINC000743043043 1021207721 /nfs/dbraw/zinc/20/77/21/1021207721.db2.gz PZCJMJTTXBSKBP-GKQSURNASA-N 0 3 306.475 3.941 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC[C@@H](SC)C2)c([O-])c1 ZINC000743043046 1021208627 /nfs/dbraw/zinc/20/86/27/1021208627.db2.gz PZCJMJTTXBSKBP-RYGYZRHUSA-N 0 3 306.475 3.941 20 30 DHEDHN C=CCC[C@@H](O)CNC(C)(C)c1ccccc1Br ZINC000181520998 1021220342 /nfs/dbraw/zinc/22/03/42/1021220342.db2.gz BBQUQIXEGHFOKJ-GFCCVEGCSA-N 0 3 312.251 3.601 20 30 DHEDHN N#Cc1ccc(O[C@H]2CCCN(CCCC(F)(F)F)C2)cc1 ZINC001202444473 1021258663 /nfs/dbraw/zinc/25/86/63/1021258663.db2.gz HDIMWRDGLZHERT-HNNXBMFYSA-N 0 3 312.335 3.744 20 30 DHEDHN N#Cc1cccc(O[C@H]2CCCN(CCCC(F)(F)F)C2)c1 ZINC001202434111 1021269309 /nfs/dbraw/zinc/26/93/09/1021269309.db2.gz ZGNHXHKIYOQPIJ-HNNXBMFYSA-N 0 3 312.335 3.744 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(Cl)nc2)c([O-])c1 ZINC000917559808 1021296405 /nfs/dbraw/zinc/29/64/05/1021296405.db2.gz VXJMBWHLFRPNKV-XDHOZWIPSA-N 0 3 317.820 3.906 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000618282021 1021344542 /nfs/dbraw/zinc/34/45/42/1021344542.db2.gz YOULZARRZGAIPS-CYBMUJFWSA-N 0 3 306.372 3.750 20 30 DHEDHN C[C@@H](O)c1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000850072820 1021411653 /nfs/dbraw/zinc/41/16/53/1021411653.db2.gz MXBRJCVLHBPRCW-OAHLLOKOSA-N 0 3 306.409 3.585 20 30 DHEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cccc(F)c1F ZINC000181998529 1021424853 /nfs/dbraw/zinc/42/48/53/1021424853.db2.gz SJSJFDFAWHFSOO-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)c1ccco1 ZINC000744064461 1021427741 /nfs/dbraw/zinc/42/77/41/1021427741.db2.gz WUYQZRLVXGIKMZ-WCQYABFASA-N 0 3 323.377 3.778 20 30 DHEDHN CCOCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000782949366 1021476659 /nfs/dbraw/zinc/47/66/59/1021476659.db2.gz FNODAIFVUQOMBL-HNNXBMFYSA-N 0 3 310.397 3.782 20 30 DHEDHN COC(=O)c1ccc([C@@H](C)NCc2ccc(C)c(C#N)c2)c(C)c1 ZINC000926965732 1032982881 /nfs/dbraw/zinc/98/28/81/1032982881.db2.gz SZJFDOPOGNMKQJ-OAHLLOKOSA-N 0 3 322.408 3.813 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CCC4(CCC4)O3)nc21 ZINC000892706973 1021518783 /nfs/dbraw/zinc/51/87/83/1021518783.db2.gz XYMLCROGIIDRSO-KBPBESRZSA-N 0 3 323.396 3.539 20 30 DHEDHN CC(C)[C@H](NCc1ccc(C#N)o1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850413856 1021519921 /nfs/dbraw/zinc/51/99/21/1021519921.db2.gz UKFQVTAMMGCUAN-IRXDYDNUSA-N 0 3 318.804 3.652 20 30 DHEDHN CC(=O)Nc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618804436 1021530769 /nfs/dbraw/zinc/53/07/69/1021530769.db2.gz LFZSSMDMBSBDGS-RNODOKPDSA-N 0 3 319.408 3.855 20 30 DHEDHN Cc1nc2c(s1)[C@H](N[C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618806211 1021530939 /nfs/dbraw/zinc/53/09/39/1021530939.db2.gz QALYSZUNHZJLKG-NVXWUHKLSA-N 0 3 309.438 3.978 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1N(C)C ZINC000618803192 1021531182 /nfs/dbraw/zinc/53/11/82/1021531182.db2.gz QQZQFWHGLJSVRC-AUUYWEPGSA-N 0 3 305.425 3.962 20 30 DHEDHN CC(=O)Nc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618804438 1021531436 /nfs/dbraw/zinc/53/14/36/1021531436.db2.gz LFZSSMDMBSBDGS-ZUOKHONESA-N 0 3 319.408 3.855 20 30 DHEDHN COc1cccc2c1CC[C@H]2N[C@H]1CCc2cc(C#N)ccc21 ZINC000618803387 1021531930 /nfs/dbraw/zinc/53/19/30/1021531930.db2.gz WAKUNANHNITUNL-RBUKOAKNSA-N 0 3 304.393 3.831 20 30 DHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(C#N)c(F)c1 ZINC000618805637 1021532143 /nfs/dbraw/zinc/53/21/43/1021532143.db2.gz JAPKHJBFPJFYOM-BLVKFPJESA-N 0 3 305.356 3.907 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC(C2CC2)CC1 ZINC000850738843 1021632697 /nfs/dbraw/zinc/63/26/97/1021632697.db2.gz QMAGASQETWDFON-GPANFISMSA-N 0 3 321.424 3.966 20 30 DHEDHN N#CC(C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1nc2ccccc2[nH]1 ZINC000850739147 1021635237 /nfs/dbraw/zinc/63/52/37/1021635237.db2.gz STAXOLVAEXJLTA-QDEZUTFSSA-N 0 3 307.397 3.956 20 30 DHEDHN COc1ccc2c(c1)[C@H](NCc1ccc(C#N)c(Cl)c1)CC2 ZINC000619754542 1021865048 /nfs/dbraw/zinc/86/50/48/1021865048.db2.gz CRYGLFGBWGZPFO-GOSISDBHSA-N 0 3 312.800 3.997 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccc(C#N)c(F)c1 ZINC000556919244 1021947819 /nfs/dbraw/zinc/94/78/19/1021947819.db2.gz DPLXOLMARQACPV-NWDGAFQWSA-N 0 3 308.360 3.985 20 30 DHEDHN C#CCCN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000920416026 1022117001 /nfs/dbraw/zinc/11/70/01/1022117001.db2.gz QCINMFRNZNXESJ-UHFFFAOYSA-N 0 3 315.420 3.994 20 30 DHEDHN C=C[C@@H](N[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001168841263 1022149976 /nfs/dbraw/zinc/14/99/76/1022149976.db2.gz YIAKKHCYQXEACA-HYVNUMGLSA-N 0 3 316.445 3.901 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000175054742 1022286436 /nfs/dbraw/zinc/28/64/36/1022286436.db2.gz LBWZSBAXBMLSKZ-OAHLLOKOSA-N 0 3 324.380 3.766 20 30 DHEDHN FC(F)(F)c1ccccc1C=NOCCN1CCCCC1 ZINC000766686344 1022390184 /nfs/dbraw/zinc/39/01/84/1022390184.db2.gz ZAJRJKLCHAKILI-UHFFFAOYSA-N 0 3 300.324 3.542 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC000538393383 1033051923 /nfs/dbraw/zinc/05/19/23/1033051923.db2.gz WXDKVYVNMXJLDG-APWZRJJASA-N 0 3 314.473 3.849 20 30 DHEDHN N#Cc1ccc(CCN2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000660095694 1022477858 /nfs/dbraw/zinc/47/78/58/1022477858.db2.gz RPZGJHIKMFSDSH-QGZVFWFLSA-N 0 3 324.449 3.900 20 30 DHEDHN CS[C@H](C)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000103330755 1022507963 /nfs/dbraw/zinc/50/79/63/1022507963.db2.gz ALPRSMBAMIJAMA-APPZFPTMSA-N 0 3 310.831 3.877 20 30 DHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@@H](C)C(C)C)c1C ZINC000338975100 1022643624 /nfs/dbraw/zinc/64/36/24/1022643624.db2.gz YCKMMQYWIBDXCI-KRWDZBQOSA-N 0 3 315.461 3.526 20 30 DHEDHN COc1cc(F)c(CN[C@@H](C)Cc2ccc(C#N)cc2)c(F)c1 ZINC001172303501 1033072948 /nfs/dbraw/zinc/07/29/48/1033072948.db2.gz YTVREKSOBPTHRM-LBPRGKRZSA-N 0 3 316.351 3.566 20 30 DHEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000617039516 1022834232 /nfs/dbraw/zinc/83/42/32/1022834232.db2.gz ILDCIOTWSYMGNV-SJLPKXTDSA-N 0 3 300.446 3.613 20 30 DHEDHN CCCc1ccc(CNCc2ccc(OC)c(C#N)c2)s1 ZINC000856775265 1022859531 /nfs/dbraw/zinc/85/95/31/1022859531.db2.gz JDRJXYYBJGQOPI-UHFFFAOYSA-N 0 3 300.427 3.871 20 30 DHEDHN COC(=O)c1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000069071153 1022883077 /nfs/dbraw/zinc/88/30/77/1022883077.db2.gz FSPDVZJNBMJASO-UHFFFAOYSA-N 0 3 322.408 3.755 20 30 DHEDHN COc1cccc(CN(C)Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000768164132 1022910185 /nfs/dbraw/zinc/91/01/85/1022910185.db2.gz XDKAAZGXAHCTDY-OAHLLOKOSA-N 0 3 310.397 3.618 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000768360208 1022952640 /nfs/dbraw/zinc/95/26/40/1022952640.db2.gz KRNHQYQBZODTOO-FQEVSTJZSA-N 0 3 320.440 3.769 20 30 DHEDHN C#CCCOc1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000768359315 1022953098 /nfs/dbraw/zinc/95/30/98/1022953098.db2.gz COWIDWMBBPJCHU-FQEVSTJZSA-N 0 3 306.409 3.821 20 30 DHEDHN Cc1cccnc1[C@H](NCc1ccc(OCC#N)cc1)C(C)C ZINC000266005600 1022973183 /nfs/dbraw/zinc/97/31/83/1022973183.db2.gz PTMOKLBQTJKAOF-GOSISDBHSA-N 0 3 309.413 3.779 20 30 DHEDHN C[C@@H](CNCC1(C#N)CCC1)c1cccc(Br)c1 ZINC000418145332 1022974985 /nfs/dbraw/zinc/97/49/85/1022974985.db2.gz XMAZPXKEKGRZFA-LBPRGKRZSA-N 0 3 307.235 3.836 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCC)c(Cl)c1 ZINC000876585254 1033099459 /nfs/dbraw/zinc/09/94/59/1033099459.db2.gz FZEIVPANUPJBBC-LBPRGKRZSA-N 0 3 317.216 3.537 20 30 DHEDHN C#CCN(Cc1ccc(-c2ccc(C(=O)OC)cc2)o1)CC1CC1 ZINC001204640814 1023012577 /nfs/dbraw/zinc/01/25/77/1023012577.db2.gz VGCNYRGDVKZVIQ-UHFFFAOYSA-N 0 3 323.392 3.578 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NCc1csc(Br)c1 ZINC000695892117 1023086862 /nfs/dbraw/zinc/08/68/62/1023086862.db2.gz PSYUSTVZWGBNNQ-VIFPVBQESA-N 0 3 301.253 3.929 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000876599352 1033104241 /nfs/dbraw/zinc/10/42/41/1033104241.db2.gz YKTSFXSFPKWVPV-IAGOWNOFSA-N 0 3 318.848 3.525 20 30 DHEDHN N#CCN1CCN(Cc2c3ccccc3cc3ccccc32)CC1 ZINC000769299478 1023115552 /nfs/dbraw/zinc/11/55/52/1023115552.db2.gz WMHMIQYFVLQOLC-UHFFFAOYSA-N 0 3 315.420 3.634 20 30 DHEDHN C=C(CC)CN1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769829827 1023225225 /nfs/dbraw/zinc/22/52/25/1023225225.db2.gz PDFJFXLJELTLKF-UHFFFAOYSA-N 0 3 313.363 3.955 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCCC)c1ccc(OC)cc1 ZINC000876646306 1033115715 /nfs/dbraw/zinc/11/57/15/1033115715.db2.gz UHPWNPFSNZYHHA-HZPDHXFCSA-N 0 3 324.852 3.513 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000876672472 1033120754 /nfs/dbraw/zinc/12/07/54/1033120754.db2.gz DJDGFQJUIKIBKE-RRQGHBQHSA-N 0 3 320.864 3.765 20 30 DHEDHN N#Cc1ccc(C2=CCN(Cc3ccc4c(c3)COC4)CC2)cc1 ZINC000770379955 1023300725 /nfs/dbraw/zinc/30/07/25/1023300725.db2.gz LVZOULJJYRWDFD-UHFFFAOYSA-N 0 3 316.404 3.878 20 30 DHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(-c2cc(C)ccn2)no1 ZINC000661114427 1023483536 /nfs/dbraw/zinc/48/35/36/1023483536.db2.gz HDGQIHVTVXCJGA-HUUCEWRRSA-N 0 3 312.417 3.665 20 30 DHEDHN CC(C)(C#N)CCN(Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000595638787 1023663272 /nfs/dbraw/zinc/66/32/72/1023663272.db2.gz VPPJYRRGPAQHTC-KRWDZBQOSA-N 0 3 300.446 3.996 20 30 DHEDHN C=CCN(Cc1cccs1)C[C@@H](O)c1ccc(F)cc1C ZINC000746655790 1023767101 /nfs/dbraw/zinc/76/71/01/1023767101.db2.gz YMAUOOVYLWNSGS-QGZVFWFLSA-N 0 3 305.418 3.917 20 30 DHEDHN C=CCC1(NCc2nc(-c3ccccc3F)no2)CCCC1 ZINC000661852185 1023779161 /nfs/dbraw/zinc/77/91/61/1023779161.db2.gz NCVLEMZVAUXXOI-UHFFFAOYSA-N 0 3 301.365 3.854 20 30 DHEDHN Clc1cccc(C#CCN2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000661874105 1023791300 /nfs/dbraw/zinc/79/13/00/1023791300.db2.gz IFZFMIGZQXEBPN-PKOBYXMFSA-N 0 3 317.860 3.973 20 30 DHEDHN Clc1ccc(C#CCN2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000661873197 1023792307 /nfs/dbraw/zinc/79/23/07/1023792307.db2.gz FNZOOKOLVVVAFJ-IEBWSBKVSA-N 0 3 317.860 3.973 20 30 DHEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@@H](C)CCCC(C)C ZINC001170083265 1023865247 /nfs/dbraw/zinc/86/52/47/1023865247.db2.gz OGOSLRHQZRRPNW-WMZOPIPTSA-N 0 3 319.493 3.737 20 30 DHEDHN CC1(C)C[C@@H](NCc2ccc(C#N)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000788579312 1023909410 /nfs/dbraw/zinc/90/94/10/1023909410.db2.gz YCYLGUYMPZXCDO-GOSISDBHSA-N 0 3 321.380 3.979 20 30 DHEDHN CN1CCCC[C@H]1c1ccc(NCc2ccc(C#N)c(F)c2)nc1 ZINC001170090750 1023943112 /nfs/dbraw/zinc/94/31/12/1023943112.db2.gz OLWOBQJWLWXMHV-SFHVURJKSA-N 0 3 324.403 3.861 20 30 DHEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nnc2n1CCCCC2 ZINC000883166650 1024263102 /nfs/dbraw/zinc/26/31/02/1024263102.db2.gz FZGAVWNHZCFKEL-SFHVURJKSA-N 0 3 324.472 3.672 20 30 DHEDHN N#Cc1cc(CN2CC[C@H](COCc3ccccc3)C2)ccc1F ZINC000121545188 1024271808 /nfs/dbraw/zinc/27/18/08/1024271808.db2.gz OMXHLRNGHMRDAD-SFHVURJKSA-N 0 3 324.399 3.736 20 30 DHEDHN C=CCCCCCN[C@H](CCSC)c1nnc2ccccn21 ZINC000278896608 1024368883 /nfs/dbraw/zinc/36/88/83/1024368883.db2.gz QYTBLUWEFVTGEF-OAHLLOKOSA-N 0 3 318.490 3.860 20 30 DHEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000883390966 1024424500 /nfs/dbraw/zinc/42/45/00/1024424500.db2.gz YXDUMPSELMBTQP-HIFRSBDPSA-N 0 3 302.443 3.788 20 30 DHEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000883390968 1024424678 /nfs/dbraw/zinc/42/46/78/1024424678.db2.gz YXDUMPSELMBTQP-ZFWWWQNUSA-N 0 3 302.443 3.788 20 30 DHEDHN C=C(C)C[C@H](CO)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000883390967 1024424998 /nfs/dbraw/zinc/42/49/98/1024424998.db2.gz YXDUMPSELMBTQP-UKRRQHHQSA-N 0 3 302.443 3.788 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000303253232 1024449016 /nfs/dbraw/zinc/44/90/16/1024449016.db2.gz BKCJWOKKPUZSGL-SJLPKXTDSA-N 0 3 321.509 3.541 20 30 DHEDHN N#Cc1cccc(CN[C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000075943889 1024520958 /nfs/dbraw/zinc/52/09/58/1024520958.db2.gz BYIBCURFFGQMAQ-OAQYLSRUSA-N 0 3 319.452 3.875 20 30 DHEDHN CC(C)(CO)[C@H](NCc1cc(C#N)cs1)c1cccs1 ZINC000453580347 1024542439 /nfs/dbraw/zinc/54/24/39/1024542439.db2.gz TXDSBYUJVVVPCB-CQSZACIVSA-N 0 3 306.456 3.531 20 30 DHEDHN CC(C)[C@@H]1CN([C@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172497167 1033226870 /nfs/dbraw/zinc/22/68/70/1033226870.db2.gz ZBDGOWZREVIGDY-CVEARBPZSA-N 0 3 323.481 3.646 20 30 DHEDHN N#C[C@H]1CC[C@H](Nc2ccc(F)c(CN3CCCC3)c2)CC1 ZINC001167845196 1024699603 /nfs/dbraw/zinc/69/96/03/1024699603.db2.gz HZKDWMLLBDEOIT-KOMQPUFPSA-N 0 3 301.409 3.916 20 30 DHEDHN C[C@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)CCCC1=O ZINC001170379069 1024767451 /nfs/dbraw/zinc/76/74/51/1024767451.db2.gz OZIDLSJFNZGUGW-VQSBYGRUSA-N 0 3 310.441 3.692 20 30 DHEDHN CCCCCCCC[C@H](CC)N1CC[C@H](S(C)(=O)=O)C1 ZINC001172505499 1033235630 /nfs/dbraw/zinc/23/56/30/1033235630.db2.gz OEVHIHLYDQCHJI-HOTGVXAUSA-N 0 3 303.512 3.635 20 30 DHEDHN CCCCCCC[C@@H](CCC)N1CC[C@H](S(C)(=O)=O)C1 ZINC001172511248 1033236798 /nfs/dbraw/zinc/23/67/98/1033236798.db2.gz PFQFWBSQTUHDNM-CVEARBPZSA-N 0 3 303.512 3.635 20 30 DHEDHN C=CCC[C@H](NCCN(C)C(=O)OC(C)(C)C)c1ccco1 ZINC000796741137 1024858372 /nfs/dbraw/zinc/85/83/72/1024858372.db2.gz BFSFTAMSZICVKY-AWEZNQCLSA-N 0 3 308.422 3.743 20 30 DHEDHN CCN1CCN(c2cccc(N[C@@H](C)CC(C)(C)C#N)c2)CC1 ZINC000893662078 1024867898 /nfs/dbraw/zinc/86/78/98/1024867898.db2.gz SVSWYMJOHPSJPM-INIZCTEOSA-N 0 3 314.477 3.569 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCC2(Cc3ccccc3)CC2)c1 ZINC000877115862 1033242927 /nfs/dbraw/zinc/24/29/27/1033242927.db2.gz IIAPYFCOGUWVIJ-UHFFFAOYSA-N 0 3 311.816 3.719 20 30 DHEDHN CN(C)[C@@H](C/N=C/c1cc(Cl)ccc1O)c1cccs1 ZINC000005290694 1025029681 /nfs/dbraw/zinc/02/96/81/1025029681.db2.gz VFWYJWICIKKSCB-YRUBURHZSA-N 0 3 308.834 3.829 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353413767 1025056350 /nfs/dbraw/zinc/05/63/50/1025056350.db2.gz QERZZMQUGPGGRO-ZUOKHONESA-N 0 3 319.408 3.855 20 30 DHEDHN CC[C@H](Cc1ccc2c(c1)OCO2)NC1(CC#N)CCCC1 ZINC001170432612 1025062109 /nfs/dbraw/zinc/06/21/09/1025062109.db2.gz UEPSSWDQMAYGOR-OAHLLOKOSA-N 0 3 300.402 3.552 20 30 DHEDHN N#Cc1ccc(NC(=O)CN[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000104700255 1025250766 /nfs/dbraw/zinc/25/07/66/1025250766.db2.gz NBRHTKLVBAZNTB-FQEVSTJZSA-N 0 3 319.408 3.628 20 30 DHEDHN C=CCCC1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000353825337 1025262096 /nfs/dbraw/zinc/26/20/96/1025262096.db2.gz KWTMUSMWPRCUKQ-GOSISDBHSA-N 0 3 312.457 3.686 20 30 DHEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2coc3ccccc23)C1=O ZINC001275293305 1025316614 /nfs/dbraw/zinc/31/66/14/1025316614.db2.gz OTKFNMOCCMZMBS-HXUWFJFHSA-N 0 3 324.424 3.576 20 30 DHEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2coc3ccccc23)C1=O ZINC001275293304 1025317180 /nfs/dbraw/zinc/31/71/80/1025317180.db2.gz OTKFNMOCCMZMBS-FQEVSTJZSA-N 0 3 324.424 3.576 20 30 DHEDHN C=C(CC)CN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000539097827 1033273906 /nfs/dbraw/zinc/27/39/06/1033273906.db2.gz QKRODGPOCMCJEW-CYBMUJFWSA-N 0 3 300.324 3.520 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000124115718 1025322313 /nfs/dbraw/zinc/32/23/13/1025322313.db2.gz KNYPBHGJLXXDBR-UONOGXRCSA-N 0 3 307.397 3.928 20 30 DHEDHN C=C(CC)CN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000539097828 1033275829 /nfs/dbraw/zinc/27/58/29/1033275829.db2.gz QKRODGPOCMCJEW-ZDUSSCGKSA-N 0 3 300.324 3.520 20 30 DHEDHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@H](O)CC1(C#N)CCC1 ZINC001168234053 1025359711 /nfs/dbraw/zinc/35/97/11/1025359711.db2.gz JSUFHLDJUONOJJ-JKIFEVAISA-N 0 3 316.420 3.578 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2cccc(-n3cccc3)c2)n1 ZINC000041518773 1025407486 /nfs/dbraw/zinc/40/74/86/1025407486.db2.gz ZPZROKLARMBJIS-OAHLLOKOSA-N 0 3 307.378 3.732 20 30 DHEDHN COc1ccccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555638 1025410134 /nfs/dbraw/zinc/41/01/34/1025410134.db2.gz DBLCNRAYZSKYLU-LBPRGKRZSA-N 0 3 320.270 3.599 20 30 DHEDHN C=CCCCCCN1CCCC[C@]12CC(=O)N([C@@H](C)CC)C2 ZINC001275323446 1025422294 /nfs/dbraw/zinc/42/22/94/1025422294.db2.gz BJAAFKMMZUUSFX-PKOBYXMFSA-N 0 3 306.494 3.988 20 30 DHEDHN COc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)ccc1C ZINC000237105595 1025437379 /nfs/dbraw/zinc/43/73/79/1025437379.db2.gz USNSNLZYRUYPJT-OAHLLOKOSA-N 0 3 310.397 3.584 20 30 DHEDHN N#CC(C(=O)CCn1ccc2cc(Cl)ccc21)c1ccccn1 ZINC000136537656 1025469205 /nfs/dbraw/zinc/46/92/05/1025469205.db2.gz UWEQHWXXOHYUGC-OAHLLOKOSA-N 0 3 323.783 3.956 20 30 DHEDHN Cc1ccccc1O[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC001137119398 1033285674 /nfs/dbraw/zinc/28/56/74/1033285674.db2.gz LSCKBGKBIHIHIB-LJQANCHMSA-N 0 3 322.408 3.551 20 30 DHEDHN CCc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000236923379 1025743193 /nfs/dbraw/zinc/74/31/93/1025743193.db2.gz OJXMYHJOKHJVKV-CYBMUJFWSA-N 0 3 300.427 3.891 20 30 DHEDHN Cc1csc(C[C@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC000886692454 1025797897 /nfs/dbraw/zinc/79/78/97/1025797897.db2.gz ZCNSDFXKDTYTDW-QGZVFWFLSA-N 0 3 311.454 3.778 20 30 DHEDHN Cc1csc(C[C@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 ZINC000886692296 1025800211 /nfs/dbraw/zinc/80/02/11/1025800211.db2.gz VTBVNTHXRAFSLE-QGZVFWFLSA-N 0 3 311.454 3.778 20 30 DHEDHN C=CCC[C@H](NC[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1)c1ccco1 ZINC000886766085 1025884602 /nfs/dbraw/zinc/88/46/02/1025884602.db2.gz BOJZXFBEWRZUEA-OVWQWFNUSA-N 0 3 305.418 3.603 20 30 DHEDHN C=CCN(CCOc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000614351503 1026204945 /nfs/dbraw/zinc/20/49/45/1026204945.db2.gz ASNXXRMYAYEACG-UHFFFAOYSA-N 0 3 315.388 3.901 20 30 DHEDHN C=CCc1cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c([O-])c(OC)c1 ZINC000808230955 1026231905 /nfs/dbraw/zinc/23/19/05/1026231905.db2.gz UPVDUJAKAKJFSI-MRXNPFEDSA-N 0 3 301.430 3.751 20 30 DHEDHN C=CCc1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c([O-])c(OC)c1 ZINC000808230955 1026231918 /nfs/dbraw/zinc/23/19/18/1026231918.db2.gz UPVDUJAKAKJFSI-MRXNPFEDSA-N 0 3 301.430 3.751 20 30 DHEDHN COC(=O)[C@@H]1CC[C@H](N(CCC#N)C2CCCCCCC2)C1 ZINC001170551707 1026276202 /nfs/dbraw/zinc/27/62/02/1026276202.db2.gz WVFIRTIPDLTYKO-WBVHZDCISA-N 0 3 306.450 3.657 20 30 DHEDHN CCCCN(CC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747529991 1026391094 /nfs/dbraw/zinc/39/10/94/1026391094.db2.gz GZAAAWOOXYTRBV-UHFFFAOYSA-N 0 3 315.461 3.672 20 30 DHEDHN C#Cc1ccc(CN(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000809539116 1026548004 /nfs/dbraw/zinc/54/80/04/1026548004.db2.gz YUCWWBMTZDPCHD-UHFFFAOYSA-N 0 3 301.336 3.901 20 30 DHEDHN C#Cc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000809566607 1026551117 /nfs/dbraw/zinc/55/11/17/1026551117.db2.gz ODTUEEIKVPXVJC-UHFFFAOYSA-N 0 3 316.404 3.583 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(F)c(Br)c2)cc1 ZINC000809612158 1026563106 /nfs/dbraw/zinc/56/31/06/1026563106.db2.gz WEDNCVSKDLQQEJ-UHFFFAOYSA-N 0 3 318.189 3.859 20 30 DHEDHN C#C[C@H](NCc1c(C)nn(Cc2ccc(C)cc2)c1C)C(C)C ZINC000809685185 1026593132 /nfs/dbraw/zinc/59/31/32/1026593132.db2.gz FCBMAYXXOQGQBL-FQEVSTJZSA-N 0 3 309.457 3.604 20 30 DHEDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809765106 1026621237 /nfs/dbraw/zinc/62/12/37/1026621237.db2.gz LBLWEHSEXOVBLA-HNAYVOBHSA-N 0 3 309.413 3.956 20 30 DHEDHN C#C[C@H](NCc1ccc(OCc2ccncc2)cc1)C(C)(C)C ZINC000809783291 1026624318 /nfs/dbraw/zinc/62/43/18/1026624318.db2.gz XLJGEIVWLPHSQX-IBGZPJMESA-N 0 3 308.425 3.798 20 30 DHEDHN C#C[C@H](NCc1cc(-c2ccncc2)ccc1OC)C(C)(C)C ZINC000809780976 1026624560 /nfs/dbraw/zinc/62/45/60/1026624560.db2.gz CVKVUESDFREOHH-IBGZPJMESA-N 0 3 308.425 3.895 20 30 DHEDHN C#C[C@@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)C(C)(C)C ZINC000809782096 1026624707 /nfs/dbraw/zinc/62/47/07/1026624707.db2.gz IIDIEIYEUSBWPO-CQSZACIVSA-N 0 3 317.433 3.566 20 30 DHEDHN C=CCN1CCC(NC(=O)c2csc3cc(C)ccc23)CC1 ZINC000280752587 1026703352 /nfs/dbraw/zinc/70/33/52/1026703352.db2.gz PTKLBBWRQQINNJ-UHFFFAOYSA-N 0 3 314.454 3.590 20 30 DHEDHN Cc1nc2c(s1)[C@H](N[C@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000810235711 1026716749 /nfs/dbraw/zinc/71/67/49/1026716749.db2.gz UKJSLYXVJDXKSO-DOTOQJQBSA-N 0 3 309.438 3.978 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(C#N)cc2)s1 ZINC000419842744 1026767862 /nfs/dbraw/zinc/76/78/62/1026767862.db2.gz WMRUQBDMTXIYLS-CYBMUJFWSA-N 0 3 324.409 3.558 20 30 DHEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NNC[C@H]1CCSC1 ZINC000811658234 1027044461 /nfs/dbraw/zinc/04/44/61/1027044461.db2.gz DILBSWSMJGZHOS-HCDQAGNISA-N 0 3 315.486 3.626 20 30 DHEDHN CC[C@@H](NCc1ccc(NC(C)=O)cc1)c1ccc(C#N)cc1 ZINC000571771139 1027147473 /nfs/dbraw/zinc/14/74/73/1027147473.db2.gz DLUVURMGQGNXBI-LJQANCHMSA-N 0 3 307.397 3.758 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913900 1027303110 /nfs/dbraw/zinc/30/31/10/1027303110.db2.gz QCARXDMMJNKBPR-SMDDNHRTSA-N 0 3 312.310 3.986 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC(c2ccsc2)CC1 ZINC000362655368 1027334168 /nfs/dbraw/zinc/33/41/68/1027334168.db2.gz IHCHHHMMQUFXAU-UHFFFAOYSA-N 0 3 312.438 3.878 20 30 DHEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@H](C#N)CCC#N ZINC000574444920 1027394333 /nfs/dbraw/zinc/39/43/33/1027394333.db2.gz HWQKOSWQDMTXRS-GXTWGEPZSA-N 0 3 309.335 3.670 20 30 DHEDHN N#CCC1(CN2CCC[C@H](c3nc4c(s3)CCC4)C2)CC1 ZINC000932187327 1027400724 /nfs/dbraw/zinc/40/07/24/1027400724.db2.gz CPDGKSSXPOXUCM-ZDUSSCGKSA-N 0 3 301.459 3.505 20 30 DHEDHN C[C@@H](CCC#N)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000932208362 1027413861 /nfs/dbraw/zinc/41/38/61/1027413861.db2.gz BKOAQYQHPZGNTN-GXFFZTMASA-N 0 3 309.207 3.555 20 30 DHEDHN C#C[C@H](N[C@H]1CCc2ccc(OC)cc2C1)c1ccc(F)cc1 ZINC000812793958 1027422371 /nfs/dbraw/zinc/42/23/71/1027422371.db2.gz LHXWHYKVSVQBPA-ICSRJNTNSA-N 0 3 309.384 3.656 20 30 DHEDHN C#C[C@@H](NC1CCC2(CCOCC2)CC1)c1ccc(F)cc1 ZINC000812792793 1027423358 /nfs/dbraw/zinc/42/33/58/1027423358.db2.gz HMGYCSNPFRYBKB-GOSISDBHSA-N 0 3 301.405 3.829 20 30 DHEDHN N#Cc1ccc([C@H](O)CN2CC3(CCC3)[C@@H]2c2ccccc2)cc1 ZINC000295823245 1027445117 /nfs/dbraw/zinc/44/51/17/1027445117.db2.gz CEKAWCSXVGFWLJ-UXHICEINSA-N 0 3 318.420 3.819 20 30 DHEDHN CCCN(CC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C ZINC000575811918 1027506659 /nfs/dbraw/zinc/50/66/59/1027506659.db2.gz DTOJWDHXZGGARV-UHFFFAOYSA-N 0 3 315.461 3.671 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H](C3CCOCC3)C2)c(Cl)c1 ZINC000933081760 1027672243 /nfs/dbraw/zinc/67/22/43/1027672243.db2.gz PSDSCYUSHWJIQR-MRXNPFEDSA-N 0 3 318.848 3.850 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCC[C@H]1CCO[C@H](C)C1 ZINC000778177824 1027753459 /nfs/dbraw/zinc/75/34/59/1027753459.db2.gz XQZSDRJBJRWFKI-CABCVRRESA-N 0 3 321.848 3.647 20 30 DHEDHN N#Cc1ccc(C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000933607594 1027773845 /nfs/dbraw/zinc/77/38/45/1027773845.db2.gz SRFURYZQMZFNOC-UHFFFAOYSA-N 0 3 301.393 3.810 20 30 DHEDHN O=C1C=COC2(CCN([C@@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000933648637 1027783715 /nfs/dbraw/zinc/78/37/15/1027783715.db2.gz DUOQBDUXVYXWKB-GOSISDBHSA-N 0 3 315.388 3.541 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@H](C(C)C)C1 ZINC000778178290 1027790905 /nfs/dbraw/zinc/79/09/05/1027790905.db2.gz LCXORTQEWDQCGD-KDOFPFPSSA-N 0 3 321.848 3.645 20 30 DHEDHN C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc(C#N)c(Cl)c2)cc1 ZINC000600774464 1027822096 /nfs/dbraw/zinc/82/20/96/1027822096.db2.gz DHNNWHFLNJBLTB-KPZWWZAWSA-N 0 3 312.800 3.928 20 30 DHEDHN CC[C@@H]1CCCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000577580433 1027827952 /nfs/dbraw/zinc/82/79/52/1027827952.db2.gz QCBCEHOPOHUUJL-MRXNPFEDSA-N 0 3 310.401 3.763 20 30 DHEDHN C=CCOc1cccc(CN[C@@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000527838352 1027914906 /nfs/dbraw/zinc/91/49/06/1027914906.db2.gz BZJQWPVIEYHAGU-HXUWFJFHSA-N 0 3 324.424 3.896 20 30 DHEDHN COc1ccc([C@@H](N[C@H](C)c2cccc(C#N)c2)C2CC2)cn1 ZINC000528042232 1028059898 /nfs/dbraw/zinc/05/98/98/1028059898.db2.gz DSBYNOQYLGXPEO-YJYMSZOUSA-N 0 3 307.397 3.764 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000601288505 1028060592 /nfs/dbraw/zinc/06/05/92/1028060592.db2.gz ZIUHOEUWXNUPCQ-FFSVYQOJSA-N 0 3 310.800 3.575 20 30 DHEDHN N#Cc1ccc(C2(N[C@@H]3CCCc4ncccc43)CCC2)cc1 ZINC000601284532 1028061213 /nfs/dbraw/zinc/06/12/13/1028061213.db2.gz JREHFBLJAWLHRU-LJQANCHMSA-N 0 3 303.409 4.000 20 30 DHEDHN C=C(C)c1cccc(NC(=O)N(CCC)[C@H]2CCN(C)C2)c1 ZINC000934885155 1028141838 /nfs/dbraw/zinc/14/18/38/1028141838.db2.gz POWKAWICYVBJAU-KRWDZBQOSA-N 0 3 301.434 3.668 20 30 DHEDHN C[C@H](NCC[C@](C)(O)c1ccccc1)c1ccc(C#N)cc1F ZINC000779088422 1028226336 /nfs/dbraw/zinc/22/63/36/1028226336.db2.gz WAQOAWCCEBLOFC-LIRRHRJNSA-N 0 3 312.388 3.646 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cccc2ccoc21 ZINC000449017261 1028250148 /nfs/dbraw/zinc/25/01/48/1028250148.db2.gz XZYROXLVQJSINK-UHFFFAOYSA-N 0 3 320.392 3.953 20 30 DHEDHN CCc1nc(C=NNc2ccc(F)c(F)c2F)c2ccccn21 ZINC000814946282 1028302281 /nfs/dbraw/zinc/30/22/81/1028302281.db2.gz JBGMAOIEHHGZJZ-UHFFFAOYSA-N 0 3 318.302 3.760 20 30 DHEDHN C#CCN(Cc1ccnc(Br)c1)C1CCCCC1 ZINC000815028293 1028338003 /nfs/dbraw/zinc/33/80/03/1028338003.db2.gz WVLJSQKBTQSBIS-UHFFFAOYSA-N 0 3 307.235 3.612 20 30 DHEDHN Cc1cc(Cl)cc(CNCc2ccc(OCC#N)cc2)c1 ZINC000815123360 1028368583 /nfs/dbraw/zinc/36/85/83/1028368583.db2.gz DDCWAYBRNQNGIQ-UHFFFAOYSA-N 0 3 300.789 3.841 20 30 DHEDHN C=CCCC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000579273380 1028369663 /nfs/dbraw/zinc/36/96/63/1028369663.db2.gz MSNLHHQKNDSHIH-SFHVURJKSA-N 0 3 302.462 3.570 20 30 DHEDHN C=CCCC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000579273379 1028370062 /nfs/dbraw/zinc/37/00/62/1028370062.db2.gz MSNLHHQKNDSHIH-GOSISDBHSA-N 0 3 302.462 3.570 20 30 DHEDHN C=C(C)COCCNCc1cnc(-c2ccccc2F)s1 ZINC000449182043 1028435791 /nfs/dbraw/zinc/43/57/91/1028435791.db2.gz BMYOVZIENRJOAK-UHFFFAOYSA-N 0 3 306.406 3.632 20 30 DHEDHN CCCCCNC(=O)C(C#N)C(=O)CC[C@@H](C)c1ccccc1 ZINC000160121599 1028458150 /nfs/dbraw/zinc/45/81/50/1028458150.db2.gz QLBOSJWRIQGKBG-WBVHZDCISA-N 0 3 314.429 3.586 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1ccc(C(=O)OC)cc1 ZINC000815560672 1028543861 /nfs/dbraw/zinc/54/38/61/1028543861.db2.gz MVSZSMJRMOSIMD-GOSISDBHSA-N 0 3 308.381 3.586 20 30 DHEDHN C=CC[N@@H+](CCc1ccco1)Cc1ccc(OCC)cc1[O-] ZINC000779170817 1028601817 /nfs/dbraw/zinc/60/18/17/1028601817.db2.gz VJTGJPWGFJNDEG-UHFFFAOYSA-N 0 3 301.386 3.615 20 30 DHEDHN C=CC[N@H+](CCc1ccco1)Cc1ccc(OCC)cc1[O-] ZINC000779170817 1028601822 /nfs/dbraw/zinc/60/18/22/1028601822.db2.gz VJTGJPWGFJNDEG-UHFFFAOYSA-N 0 3 301.386 3.615 20 30 DHEDHN COCC[C@@H](C)N[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370663051 1028632464 /nfs/dbraw/zinc/63/24/64/1028632464.db2.gz RBXDWBKPXBAKQA-CHWSQXEVSA-N 0 3 315.442 3.757 20 30 DHEDHN N#CCCCOc1cccc(CN2CCSC[C@H]2C2CC2)c1 ZINC000449529292 1028741617 /nfs/dbraw/zinc/74/16/17/1028741617.db2.gz WDCMOGOOJXWEHY-SFHVURJKSA-N 0 3 316.470 3.697 20 30 DHEDHN C=CCOc1cccc(CN2CCC(c3nccc(C)n3)CC2)c1 ZINC000371888279 1028773817 /nfs/dbraw/zinc/77/38/17/1028773817.db2.gz NSOXERCPBMFTHJ-UHFFFAOYSA-N 0 3 323.440 3.729 20 30 DHEDHN CC[C@H](C(=O)C(C#N)c1nc2ccccc2s1)N(CC)CC ZINC000778600042 1028933283 /nfs/dbraw/zinc/93/32/83/1028933283.db2.gz WDHGOPWRTNVBFV-TZMCWYRMSA-N 0 3 315.442 3.593 20 30 DHEDHN CC[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(C#N)cc1 ZINC000373058858 1028943875 /nfs/dbraw/zinc/94/38/75/1028943875.db2.gz SOQSIXCIGHIVSI-WOJBJXKFSA-N 0 3 305.425 3.786 20 30 DHEDHN N#CC(C(=O)C[C@@H]1C=CCCC1)C(=O)Nc1ccccc1Cl ZINC000778606566 1028947774 /nfs/dbraw/zinc/94/77/74/1028947774.db2.gz YXRCQTKAOOQOCH-CHWSQXEVSA-N 0 3 316.788 3.734 20 30 DHEDHN CCOc1ccc(CN2CCC(CCC#N)CC2)cc1OCC ZINC000567791352 1028955406 /nfs/dbraw/zinc/95/54/06/1028955406.db2.gz ORWZAYGULSITDF-UHFFFAOYSA-N 0 3 316.445 4.000 20 30 DHEDHN CC(C)c1ccc(C2(O)CCC(NCC3(C#N)CC3)CC2)cc1 ZINC000816597959 1028955936 /nfs/dbraw/zinc/95/59/36/1028955936.db2.gz LOIOFQIFRFYBRW-UHFFFAOYSA-N 0 3 312.457 3.834 20 30 DHEDHN CCN(C(=O)[C@H](C)N1CCC(CCC#N)CC1)C1CCCCC1 ZINC000567789797 1028956854 /nfs/dbraw/zinc/95/68/54/1028956854.db2.gz DTVQGUZLYUUAKD-INIZCTEOSA-N 0 3 319.493 3.572 20 30 DHEDHN C[C@@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1C ZINC000816648503 1028972642 /nfs/dbraw/zinc/97/26/42/1028972642.db2.gz LJMSJZIGCQSEMI-CVEARBPZSA-N 0 3 306.409 3.977 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@H](O)C23CCCC3)cc1Cl ZINC000568132834 1029010986 /nfs/dbraw/zinc/01/09/86/1029010986.db2.gz YVLDJGPZDKWFFI-QGZVFWFLSA-N 0 3 321.848 3.784 20 30 DHEDHN CCC(C#N)(CC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000529021211 1029026789 /nfs/dbraw/zinc/02/67/89/1029026789.db2.gz NMMCFZSJUSPBEC-NSHDSACASA-N 0 3 309.291 3.607 20 30 DHEDHN C[C@H](CCC#N)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000411325138 1029103670 /nfs/dbraw/zinc/10/36/70/1029103670.db2.gz NQCFRMNWXMDLBK-KGLIPLIRSA-N 0 3 303.475 3.894 20 30 DHEDHN COC[C@@H](NCCC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000411481092 1029140473 /nfs/dbraw/zinc/14/04/73/1029140473.db2.gz ZEMLGOQMGHLAKJ-QGZVFWFLSA-N 0 3 304.409 3.967 20 30 DHEDHN COC(=O)c1cccc(CN(C)[C@H](C)C2CCCCC2)c1C#N ZINC000569141679 1029183326 /nfs/dbraw/zinc/18/33/26/1029183326.db2.gz OQWKORFQPYTZFE-CQSZACIVSA-N 0 3 314.429 3.745 20 30 DHEDHN Cc1cc(C)cc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000190926369 1029215943 /nfs/dbraw/zinc/21/59/43/1029215943.db2.gz BVDRCJMJDDAQDS-OAHLLOKOSA-N 0 3 301.349 3.737 20 30 DHEDHN N#CC(C(=O)c1ccc(Cl)cc1)c1cnc2ccccc2n1 ZINC000190941667 1029218736 /nfs/dbraw/zinc/21/87/36/1029218736.db2.gz YOBLREDYAGPMBP-CYBMUJFWSA-N 0 3 307.740 3.773 20 30 DHEDHN C#CCOc1ccc(CN2C[C@H](C)C[C@H]2c2cccnc2)cc1 ZINC000190962284 1029227690 /nfs/dbraw/zinc/22/76/90/1029227690.db2.gz PYVZCSGOQGUSIX-UZLBHIALSA-N 0 3 306.409 3.677 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000374256899 1029261616 /nfs/dbraw/zinc/26/16/16/1029261616.db2.gz BLDFCPXGWFBNRA-UZLBHIALSA-N 0 3 322.408 3.631 20 30 DHEDHN CC(C)n1ncc2cc(CN3CCC(CCC#N)CC3)cnc21 ZINC000570158157 1029322389 /nfs/dbraw/zinc/32/23/89/1029322389.db2.gz LFBBOMIEPFSRHD-UHFFFAOYSA-N 0 3 311.433 3.528 20 30 DHEDHN N=C(N[C@H]1CCc2cccc(F)c2C1)c1ccc2ccccc2n1 ZINC001170960582 1029823112 /nfs/dbraw/zinc/82/31/12/1029823112.db2.gz DZMBTXGOIVFSAV-HNNXBMFYSA-N 0 3 319.383 3.637 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CN[C@H]2CCCc3ncccc32)c1 ZINC000866297449 1030210252 /nfs/dbraw/zinc/21/02/52/1030210252.db2.gz JPEMPZVKZFCCCC-UZLBHIALSA-N 0 3 321.424 3.930 20 30 DHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC(C)(C)C ZINC000533279050 1030237875 /nfs/dbraw/zinc/23/78/75/1030237875.db2.gz WDSKMYICAIGBGL-NSHDSACASA-N 0 3 307.825 3.517 20 30 DHEDHN CN(CCC1(C#N)CCCCC1)C[C@@](C)(O)c1ccccc1 ZINC000823611967 1030339056 /nfs/dbraw/zinc/33/90/56/1030339056.db2.gz CHIYMVRJXNSJBG-GOSISDBHSA-N 0 3 300.446 3.690 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)c1ccc(F)cc1F ZINC000823616835 1030341411 /nfs/dbraw/zinc/34/14/11/1030341411.db2.gz CDMHICNHLOEUJP-SGTLLEGYSA-N 0 3 316.351 3.563 20 30 DHEDHN C=C(Cl)CNC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000925437467 1030361875 /nfs/dbraw/zinc/36/18/75/1030361875.db2.gz NYBGBDXJSHMNCN-UHFFFAOYSA-N 0 3 314.857 3.508 20 30 DHEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCCC#N)c1ccccc1 ZINC000926132543 1030628590 /nfs/dbraw/zinc/62/85/90/1030628590.db2.gz MFXIRCXXSMPYMQ-GDBMZVCRSA-N 0 3 317.433 3.534 20 30 DHEDHN C=CCOc1ccccc1CNC[C@]1(C)CC1(Cl)Cl ZINC000824758113 1030638990 /nfs/dbraw/zinc/63/89/90/1030638990.db2.gz JVOOIJWGIFZKNH-AWEZNQCLSA-N 0 3 300.229 3.925 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)C1(Br)CC1 ZINC000926370268 1030715641 /nfs/dbraw/zinc/71/56/41/1030715641.db2.gz OFBXTLHTCONLRC-SECBINFHSA-N 0 3 313.626 3.617 20 30 DHEDHN CC(C)(C)OC(=O)N1CCN(CC(C)(C)CCC#N)CC1(C)C ZINC000825312229 1030783089 /nfs/dbraw/zinc/78/30/89/1030783089.db2.gz RKRIZOFTWAJGAJ-UHFFFAOYSA-N 0 3 323.481 3.648 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000926610367 1030823411 /nfs/dbraw/zinc/82/34/11/1030823411.db2.gz CRLKZRIZAGQEFC-IHPCNDPISA-N 0 3 308.425 3.660 20 30 DHEDHN CC(C)[C@@H](NCc1cccc(C#N)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000359269569 1030876048 /nfs/dbraw/zinc/87/60/48/1030876048.db2.gz YUPCODHELSYTFU-GOSISDBHSA-N 0 3 321.380 3.892 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000926781423 1030921328 /nfs/dbraw/zinc/92/13/28/1030921328.db2.gz WFLCIFAQIUTXHN-BXUZGUMPSA-N 0 3 314.351 3.657 20 30 DHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000292282125 1030921945 /nfs/dbraw/zinc/92/19/45/1030921945.db2.gz BUJUZAQRNFTTTR-GTNSWQLSSA-N 0 3 316.401 3.551 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000926780651 1030922268 /nfs/dbraw/zinc/92/22/68/1030922268.db2.gz PWMBCUBCYWTVLW-IAQYHMDHSA-N 0 3 312.816 3.821 20 30 DHEDHN Clc1ccc(C#CCN2CCC[C@@]3(CCSC3)C2)cc1 ZINC001171098241 1030927444 /nfs/dbraw/zinc/92/74/44/1030927444.db2.gz JGJASBKSWJNLFS-QGZVFWFLSA-N 0 3 305.874 3.911 20 30 DHEDHN N#CC(C(=O)CCc1ccc(F)c2c1CCCC2)c1ccccn1 ZINC000870135842 1030927926 /nfs/dbraw/zinc/92/79/26/1030927926.db2.gz DEBKWWIFOFOPDB-KRWDZBQOSA-N 0 3 322.383 3.909 20 30 DHEDHN N#CC1(CN[C@H](Cc2ccccc2)Cc2cccnc2)CCCC1 ZINC000926878653 1030965357 /nfs/dbraw/zinc/96/53/57/1030965357.db2.gz HGVRPKDRZVVIHH-HXUWFJFHSA-N 0 3 319.452 3.909 20 30 DHEDHN C=CCC[C@@H](NCc1cc(C2CC2)n(C)n1)[C@@]1(C)CCCCO1 ZINC000927107989 1031095297 /nfs/dbraw/zinc/09/52/97/1031095297.db2.gz JYOVPTZFPGQERR-RTBURBONSA-N 0 3 317.477 3.681 20 30 DHEDHN C[C@@H](NC[C@H]1OCCc2ccccc21)c1ccc(C#N)cc1F ZINC000611587890 1031111552 /nfs/dbraw/zinc/11/15/52/1031111552.db2.gz ZOMKBDZARKLJDX-BFUOFWGJSA-N 0 3 310.372 3.662 20 30 DHEDHN C[C@H](NC[C@H]1OCCc2ccccc21)c1ccc(C#N)cc1F ZINC000611587898 1031113375 /nfs/dbraw/zinc/11/33/75/1031113375.db2.gz ZOMKBDZARKLJDX-ORAYPTAESA-N 0 3 310.372 3.662 20 30 DHEDHN C=CCCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000359787074 1031138982 /nfs/dbraw/zinc/13/89/82/1031138982.db2.gz CHMRIEBMLLYXJD-WMZOPIPTSA-N 0 3 312.457 3.512 20 30 DHEDHN CN(CCc1ccc(C(F)(F)F)cc1)Cc1cncc(C#N)c1 ZINC001144085966 1031221158 /nfs/dbraw/zinc/22/11/58/1031221158.db2.gz JVCMQJDURZSGOZ-UHFFFAOYSA-N 0 3 319.330 3.647 20 30 DHEDHN Cc1c(O)cccc1CN1CCC(Oc2ccccc2C#N)CC1 ZINC001144117530 1031253276 /nfs/dbraw/zinc/25/32/76/1031253276.db2.gz FVWSYDXOSZDURT-UHFFFAOYSA-N 0 3 322.408 3.616 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1cc(-c2ccc(C)cc2)no1 ZINC000429708847 1031334426 /nfs/dbraw/zinc/33/44/26/1031334426.db2.gz NZHOIMUVNUYCCP-UHFFFAOYSA-N 0 3 313.445 3.590 20 30 DHEDHN Cc1cccc(NC(=O)CN(C)CC2CCC(C#N)CC2)c1C ZINC000929242009 1031475153 /nfs/dbraw/zinc/47/51/53/1031475153.db2.gz HHOSWIWZSYOHTB-UHFFFAOYSA-N 0 3 313.445 3.504 20 30 DHEDHN CN(Cc1c[nH]c2nc(Cl)ccc12)Cc1ccc(C#N)cc1 ZINC001144414585 1031551529 /nfs/dbraw/zinc/55/15/29/1031551529.db2.gz LSRPTOJZQXTFTI-UHFFFAOYSA-N 0 3 310.788 3.720 20 30 DHEDHN Fc1ccc(C#CCN2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872280376 1031572656 /nfs/dbraw/zinc/57/26/56/1031572656.db2.gz LLUMHRXCYVRHAW-LJQANCHMSA-N 0 3 301.405 3.601 20 30 DHEDHN CN(C)c1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000360829562 1031578036 /nfs/dbraw/zinc/57/80/36/1031578036.db2.gz BMMBSLBMWQWEEU-LJQANCHMSA-N 0 3 320.440 3.577 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1O ZINC000360830126 1031579017 /nfs/dbraw/zinc/57/90/17/1031579017.db2.gz CKDKWOWLSVBIDF-GOSISDBHSA-N 0 3 322.408 3.830 20 30 DHEDHN CSCC1(CC(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000845446726 1031585327 /nfs/dbraw/zinc/58/53/27/1031585327.db2.gz UJLMYMVYRCHMKA-LLVKDONJSA-N 0 3 300.383 3.537 20 30 DHEDHN COc1ccccc1-c1ccc([C@H](C)N(C)C[C@H](O)CC#N)cc1 ZINC000929710393 1031586319 /nfs/dbraw/zinc/58/63/19/1031586319.db2.gz PXENSODLDHWGDL-MAUKXSAKSA-N 0 3 324.424 3.630 20 30 DHEDHN CN(Cc1cc(Cl)cc(C#N)c1)[C@H](CCO)c1ccccc1 ZINC000929726334 1031591892 /nfs/dbraw/zinc/59/18/92/1031591892.db2.gz RXXZAJZOXDMDJG-GOSISDBHSA-N 0 3 314.816 3.767 20 30 DHEDHN N=C(Nc1cccc2c1CCN2)c1ccc2cc(O)ccc2c1 ZINC001171182913 1031595468 /nfs/dbraw/zinc/59/54/68/1031595468.db2.gz WMYJFKQJALGWJB-UHFFFAOYSA-N 0 3 303.365 3.550 20 30 DHEDHN N#CC(C(=O)c1ccc(SC(F)(F)F)cc1)c1ccncn1 ZINC000760350510 1031679263 /nfs/dbraw/zinc/67/92/63/1031679263.db2.gz ALAMUBOTTYAUSO-LLVKDONJSA-N 0 3 323.299 3.579 20 30 DHEDHN C#Cc1ccc(CN2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC001144573250 1031721612 /nfs/dbraw/zinc/72/16/12/1031721612.db2.gz FHVSFYUFCMCBOL-UHFFFAOYSA-N 0 3 309.384 3.850 20 30 DHEDHN C#Cc1ccc(CN(Cc2cccc(OC)c2)[C@@H](C)COC)cc1 ZINC001144576910 1031725238 /nfs/dbraw/zinc/72/52/38/1031725238.db2.gz VKAXZWITACTDEB-KRWDZBQOSA-N 0 3 323.436 3.714 20 30 DHEDHN CN(Cc1cc(C#N)cs1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000897624821 1031744933 /nfs/dbraw/zinc/74/49/33/1031744933.db2.gz ZMAWZPMCCXXDSP-HNNXBMFYSA-N 0 3 311.454 3.578 20 30 DHEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)NCc1nc(C#N)cs1 ZINC000897628748 1031755990 /nfs/dbraw/zinc/75/59/90/1031755990.db2.gz BEXSHVSKHKQQNI-QWRGUYRKSA-N 0 3 305.834 3.950 20 30 DHEDHN C=C1CCC(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000897730543 1031826485 /nfs/dbraw/zinc/82/64/85/1031826485.db2.gz OXBJPOOBMDMXMK-GOEBONIOSA-N 0 3 304.434 3.571 20 30 DHEDHN N#Cc1cccc(C2(NCc3ccccc3CF)CCOCC2)c1 ZINC000931022679 1032011817 /nfs/dbraw/zinc/01/18/17/1032011817.db2.gz NNVPTJSFDHVIKF-UHFFFAOYSA-N 0 3 324.399 3.823 20 30 DHEDHN C=CCOc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1OC ZINC000898324105 1032024488 /nfs/dbraw/zinc/02/44/88/1032024488.db2.gz BSMRYEMTDNFHRA-FQEVSTJZSA-N 0 3 324.424 3.896 20 30 DHEDHN N#CC1CCC(NCc2cc(-c3ccc(F)cc3F)on2)CC1 ZINC000877811371 1033460687 /nfs/dbraw/zinc/46/06/87/1033460687.db2.gz IKJUSLRRVLQIOV-UHFFFAOYSA-N 0 3 317.339 3.792 20 30 DHEDHN C=CC[C@@H](C)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000878212184 1033623256 /nfs/dbraw/zinc/62/32/56/1033623256.db2.gz IOZCOUTYGTXJEB-GFCCVEGCSA-N 0 3 322.836 3.661 20 30 DHEDHN C=CCCC(=O)N(CCC)C1CCN(Cc2ccccc2)CC1 ZINC000889490785 1033683614 /nfs/dbraw/zinc/68/36/14/1033683614.db2.gz HBESUYAKBQHYAK-UHFFFAOYSA-N 0 3 314.473 3.856 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](C)C(C)(C)C1)c1ccccc1 ZINC000878432825 1033704685 /nfs/dbraw/zinc/70/46/85/1033704685.db2.gz KEMMWHCDJZOELW-OXJNMPFZSA-N 0 3 312.457 3.795 20 30 DHEDHN C=CCOC1CCC(N[C@@H](c2ccccc2)c2cccnn2)CC1 ZINC001173319667 1033711710 /nfs/dbraw/zinc/71/17/10/1033711710.db2.gz QYIFKAZIIKIIPX-QLOJAFMTSA-N 0 3 323.440 3.669 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1CCC2(CCC2)CC1)c1ccccc1 ZINC000878609542 1033766311 /nfs/dbraw/zinc/76/63/11/1033766311.db2.gz DPGGZZBELVQVOX-HXUWFJFHSA-N 0 3 310.441 3.693 20 30 DHEDHN CC1(C#N)CCC(N[C@@H](c2ccccc2)c2cccnn2)CC1 ZINC001173593341 1033781117 /nfs/dbraw/zinc/78/11/17/1033781117.db2.gz NJTRKRPCOWLCAJ-AVAKVYKDSA-N 0 3 306.413 3.628 20 30 DHEDHN COc1cc(C)cc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000127280369 1033789268 /nfs/dbraw/zinc/78/92/68/1033789268.db2.gz MKONAHTWIRSOHK-HNNXBMFYSA-N 0 3 310.397 3.584 20 30 DHEDHN C#CC[C@H]1CCN(Cc2cc(Cl)c(OC)c(OCC)c2)C1 ZINC000862443848 1033855245 /nfs/dbraw/zinc/85/52/45/1033855245.db2.gz VRGYULKPBAXOGB-ZDUSSCGKSA-N 0 3 307.821 3.593 20 30 DHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2cccc(O)c2)o1 ZINC000878885476 1033856533 /nfs/dbraw/zinc/85/65/33/1033856533.db2.gz IAEGGZZPGPPLPR-XJKSGUPXSA-N 0 3 313.401 3.667 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2cccc(OCC)c2OC(F)F)C1 ZINC000862442947 1033856803 /nfs/dbraw/zinc/85/68/03/1033856803.db2.gz JBXFLTIIXCJSPY-CYBMUJFWSA-N 0 3 309.356 3.532 20 30 DHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(O)c2)o1 ZINC000878885475 1033857284 /nfs/dbraw/zinc/85/72/84/1033857284.db2.gz IAEGGZZPGPPLPR-CZUORRHYSA-N 0 3 313.401 3.667 20 30 DHEDHN C#CC[C@@H](CCOC)N[C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000862548421 1033886575 /nfs/dbraw/zinc/88/65/75/1033886575.db2.gz FTLBWIHXILQFFZ-LPHOPBHVSA-N 0 3 308.425 3.828 20 30 DHEDHN CCOc1cccc([C@@H](C)NCc2ccc(OC)c(C#N)c2)c1 ZINC000174322815 1033922595 /nfs/dbraw/zinc/92/25/95/1033922595.db2.gz ODHMMPZWCZTYBO-CQSZACIVSA-N 0 3 310.397 3.816 20 30 DHEDHN CCOc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000174430048 1033932212 /nfs/dbraw/zinc/93/22/12/1033932212.db2.gz QSTSERGXQAUXCU-CQSZACIVSA-N 0 3 310.397 3.816 20 30 DHEDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCc1cccc(C#N)c1 ZINC000879434108 1034016654 /nfs/dbraw/zinc/01/66/54/1034016654.db2.gz ODAOMADUTMONFU-AWEZNQCLSA-N 0 3 309.369 3.702 20 30 DHEDHN C=C(C)COCCNCc1ccc(-c2cccc(F)c2F)o1 ZINC000480367885 1034219962 /nfs/dbraw/zinc/21/99/62/1034219962.db2.gz XZYAJVOIICWJRO-UHFFFAOYSA-N 0 3 307.340 3.907 20 30 DHEDHN COc1cc(C#N)cc(NC2=CCCN(Cc3ccccc3)C2)c1 ZINC001174395502 1034322883 /nfs/dbraw/zinc/32/28/83/1034322883.db2.gz YZMAAVVXWWUKST-UHFFFAOYSA-N 0 3 319.408 3.769 20 30 DHEDHN N#Cc1ccc(CN2Cc3ccccc3N3CCC[C@H]3C2)cc1 ZINC000880554341 1034361128 /nfs/dbraw/zinc/36/11/28/1034361128.db2.gz ZLQSQBHECQACED-IBGZPJMESA-N 0 3 303.409 3.543 20 30 DHEDHN N#Cc1ccc(CN2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000554946810 1034427943 /nfs/dbraw/zinc/42/79/43/1034427943.db2.gz NCZJWXGXEGMBOM-FQEVSTJZSA-N 0 3 304.393 3.528 20 30 DHEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Br)C(C)(C)C1 ZINC000481068313 1034576968 /nfs/dbraw/zinc/57/69/68/1034576968.db2.gz CQOOJPAJOXHZON-LLVKDONJSA-N 0 3 307.235 3.941 20 30 DHEDHN N#CCCCOc1cccc(CN2CCCC(F)(F)CC2)c1 ZINC000600187827 1034790463 /nfs/dbraw/zinc/79/04/63/1034790463.db2.gz JTKSUWOLJWWKAB-UHFFFAOYSA-N 0 3 308.372 3.990 20 30 DHEDHN CC(C)(CCC#N)CN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000600208618 1034815437 /nfs/dbraw/zinc/81/54/37/1034815437.db2.gz OSSAYWZTFZNQNQ-UHFFFAOYSA-N 0 3 324.472 3.615 20 30 DHEDHN N#Cc1ccc([O-])c(Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001175366640 1034954072 /nfs/dbraw/zinc/95/40/72/1034954072.db2.gz MMTDSHQEPJKPHR-UHFFFAOYSA-N 0 3 307.397 3.993 20 30 DHEDHN N#CCC1(OC(=O)c2cccc(CN3CCCCC3)c2)CCC1 ZINC000842351911 1034973826 /nfs/dbraw/zinc/97/38/26/1034973826.db2.gz CSNDTLLNKOSZNC-UHFFFAOYSA-N 0 3 312.413 3.666 20 30 DHEDHN C=CCN1CCC(NC(=O)CC2CCC(C(C)(C)C)CC2)CC1 ZINC000481788960 1034980432 /nfs/dbraw/zinc/98/04/32/1034980432.db2.gz PCGDHTBUDGJEKB-UHFFFAOYSA-N 0 3 320.521 3.996 20 30 DHEDHN COc1ccc(C#N)cc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506493 1035016797 /nfs/dbraw/zinc/01/67/97/1035016797.db2.gz CCSXDXJTBPYOGT-UHFFFAOYSA-N 0 3 319.408 3.769 20 30 DHEDHN N#Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1C#N ZINC001175506744 1035019099 /nfs/dbraw/zinc/01/90/99/1035019099.db2.gz KYMZBSSLIBWIAM-UHFFFAOYSA-N 0 3 314.392 3.632 20 30 DHEDHN COc1cccc(NC2=CCN(Cc3ccccc3)CC2)c1C#N ZINC001175507460 1035020129 /nfs/dbraw/zinc/02/01/29/1035020129.db2.gz VSSJFVUYLJOFQV-UHFFFAOYSA-N 0 3 319.408 3.769 20 30 DHEDHN CCN1CCN(c2ccc(Nc3cc(C#N)ccc3C)cc2)CC1 ZINC001175780576 1035119531 /nfs/dbraw/zinc/11/95/31/1035119531.db2.gz JQROCSQFOVIMQD-UHFFFAOYSA-N 0 3 320.440 3.752 20 30 DHEDHN Cc1nc(C(C#N)C(=O)Nc2cc(Cl)ccc2C)sc1C ZINC000160123921 1035137884 /nfs/dbraw/zinc/13/78/84/1035137884.db2.gz HAZIPLMHWAWNMT-LBPRGKRZSA-N 0 3 319.817 3.968 20 30 DHEDHN C#Cc1cccc(Nc2sc(N)c3c2CN(CCC)CC3)c1 ZINC001175974445 1035171099 /nfs/dbraw/zinc/17/10/99/1035171099.db2.gz WNCVBZMDZWBISC-UHFFFAOYSA-N 0 3 311.454 3.823 20 30 DHEDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000484080340 1035316465 /nfs/dbraw/zinc/31/64/65/1035316465.db2.gz CSSGPIYFDPMYHM-BFUOFWGJSA-N 0 3 310.372 3.521 20 30 DHEDHN C=CCC[C@@H]1CCCN1Cc1nnc(-c2ccccc2OC)o1 ZINC001176767374 1035328923 /nfs/dbraw/zinc/32/89/23/1035328923.db2.gz HMLBWTOLAYRCCS-CQSZACIVSA-N 0 3 313.401 3.676 20 30 DHEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC001176771653 1035330668 /nfs/dbraw/zinc/33/06/68/1035330668.db2.gz QFWCFUCGYLOSBA-AWEZNQCLSA-N 0 3 322.836 3.718 20 30 DHEDHN C=CCN(CCOC)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000484691202 1035389128 /nfs/dbraw/zinc/38/91/28/1035389128.db2.gz YTTUXZKTPUTRJH-LBPRGKRZSA-N 0 3 303.324 3.781 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000924797963 1035403032 /nfs/dbraw/zinc/40/30/32/1035403032.db2.gz JKLFGRBYTHYEMB-NSHDSACASA-N 0 3 308.809 3.529 20 30 DHEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000773770616 1035448076 /nfs/dbraw/zinc/44/80/76/1035448076.db2.gz OJONKNVZRQDAPM-QGZVFWFLSA-N 0 3 324.424 3.652 20 30 DHEDHN C[C@H](Cc1cccc(F)c1)NC(=N)c1ccc2ccccc2n1 ZINC001168465821 1035549988 /nfs/dbraw/zinc/54/99/88/1035549988.db2.gz XHAFBOSHYATOIO-CYBMUJFWSA-N 0 3 307.372 3.710 20 30 DHEDHN C#C[C@H](N[C@H](C)c1cccc(-c2ccncc2)c1)[C@H]1CCCO1 ZINC000775572888 1035571557 /nfs/dbraw/zinc/57/15/57/1035571557.db2.gz UQYAGVQTMIWPTH-UIAACRFSSA-N 0 3 306.409 3.580 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN(C)Cc1ccc2c(c1)OCCO2 ZINC001180359405 1035653806 /nfs/dbraw/zinc/65/38/06/1035653806.db2.gz KSMNSJNHOLVSRU-UHFFFAOYSA-N 0 3 322.408 3.578 20 30 DHEDHN CN(CCOCc1ccc(C#N)cc1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001194791785 1036023058 /nfs/dbraw/zinc/02/30/58/1036023058.db2.gz OJPZIRFEIOUEJH-WOJBJXKFSA-N 0 3 324.399 3.702 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000773975359 1036103829 /nfs/dbraw/zinc/10/38/29/1036103829.db2.gz KKWASMVJQZXQDA-ZFWWWQNUSA-N 0 3 300.402 3.715 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000540592722 1036109476 /nfs/dbraw/zinc/10/94/76/1036109476.db2.gz QTNXZETXXZGIDL-KXBFYZLASA-N 0 3 314.473 3.617 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OC3CCCCC3)nc2)C1 ZINC000613254678 1036348287 /nfs/dbraw/zinc/34/82/87/1036348287.db2.gz QYOUQJLAVJMEBL-DOTOQJQBSA-N 0 3 313.445 3.965 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2nccnc2c1 ZINC001182500582 1036366709 /nfs/dbraw/zinc/36/67/09/1036366709.db2.gz VXYSBCYXIYUOOA-CQSZACIVSA-N 0 3 302.381 3.694 20 30 DHEDHN COC(=O)c1cccc(CN[C@H](C)[C@@H](C)c2ccccc2)c1C#N ZINC000541611115 1036384201 /nfs/dbraw/zinc/38/42/01/1036384201.db2.gz HDDANHWACGFNTH-HUUCEWRRSA-N 0 3 322.408 3.627 20 30 DHEDHN CCc1ccc([C@H](CO)NCc2ccccc2C(C)(C)C#N)cc1 ZINC000541980513 1036478822 /nfs/dbraw/zinc/47/88/22/1036478822.db2.gz IBAZBSSQNYCDRQ-FQEVSTJZSA-N 0 3 322.452 3.873 20 30 DHEDHN N#CC(C(=O)CC1CCSCC1)c1ccc2ccccc2n1 ZINC000762064099 1036489717 /nfs/dbraw/zinc/48/97/17/1036489717.db2.gz OVYQHRXFCAHLFE-HNNXBMFYSA-N 0 3 310.422 3.944 20 30 DHEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc2c(c1)CCCO2 ZINC001196315055 1036495415 /nfs/dbraw/zinc/49/54/15/1036495415.db2.gz YRYLCYBAJDXCCM-OAHLLOKOSA-N 0 3 309.384 3.853 20 30 DHEDHN COC(=O)Nc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000495611304 1036777280 /nfs/dbraw/zinc/77/72/80/1036777280.db2.gz GTSFWUSUDQLLMN-CYBMUJFWSA-N 0 3 309.369 3.587 20 30 DHEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000193613355 1037023837 /nfs/dbraw/zinc/02/38/37/1037023837.db2.gz DIVDOJPIOHXALR-UHFFFAOYSA-N 0 3 322.408 3.740 20 30 DHEDHN C=CCCCN(CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC001198457629 1037025035 /nfs/dbraw/zinc/02/50/35/1037025035.db2.gz FMYHTPATTUAFGJ-QGZVFWFLSA-N 0 3 313.445 3.610 20 30 DHEDHN Cc1cc(Br)ccc1CNCc1ccc(C#N)cc1 ZINC000111388404 1037096913 /nfs/dbraw/zinc/09/69/13/1037096913.db2.gz GOXQDSGRVSQGSU-UHFFFAOYSA-N 0 3 315.214 3.919 20 30 DHEDHN Cc1cc(Br)cc(CNCc2ccc(C#N)cc2)c1 ZINC000774974995 1037320463 /nfs/dbraw/zinc/32/04/63/1037320463.db2.gz INWKQLIDMBVGSJ-UHFFFAOYSA-N 0 3 315.214 3.919 20 30 DHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccccc1COC ZINC000912403225 1037374567 /nfs/dbraw/zinc/37/45/67/1037374567.db2.gz BRXSLDIZWUGUTM-MRXNPFEDSA-N 0 3 306.450 3.849 20 30 DHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OCC#N)cc1 ZINC000776162600 1037627604 /nfs/dbraw/zinc/62/76/04/1037627604.db2.gz JMOOXJAJANHPAW-GJZGRUSLSA-N 0 3 305.381 3.872 20 30 DHEDHN C=CCCCN(CCOC)Cc1ccc(Br)s1 ZINC000494218619 1037671981 /nfs/dbraw/zinc/67/19/81/1037671981.db2.gz DLXIKKZMBVVHBM-UHFFFAOYSA-N 0 3 318.280 3.925 20 30 DHEDHN COc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000776169087 1037672652 /nfs/dbraw/zinc/67/26/52/1037672652.db2.gz KGNDZMZLVQHNMN-HNNXBMFYSA-N 0 3 310.397 3.757 20 30 DHEDHN C#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001201475177 1037738572 /nfs/dbraw/zinc/73/85/72/1037738572.db2.gz UDIWEOTUGBEHQW-RTWAWAEBSA-N 0 3 315.420 3.796 20 30 DHEDHN N#CC1(c2ccccc2F)CCN(CCc2ccccc2)CC1 ZINC001201610351 1037809502 /nfs/dbraw/zinc/80/95/02/1037809502.db2.gz SIRKTYIJCSNSMO-UHFFFAOYSA-N 0 3 308.400 3.926 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(OC3CCCCC3)c2)C1 ZINC000185805917 1037844536 /nfs/dbraw/zinc/84/45/36/1037844536.db2.gz FNXSMSNSTZKMTB-NVXWUHKLSA-N 0 3 313.445 3.965 20 30 DHEDHN C=CC[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000186081343 1037865834 /nfs/dbraw/zinc/86/58/34/1037865834.db2.gz CSWORMFQFOUUMO-UXHICEINSA-N 0 3 322.452 3.765 20 30 DHEDHN CCCCCCCN1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001201762300 1037885265 /nfs/dbraw/zinc/88/52/65/1037885265.db2.gz DZMSFKRSJSBKPZ-UHFFFAOYSA-N 0 3 320.525 3.854 20 30 DHEDHN CCCCCCCN1CCN(C[C@H](OC)c2ccccc2)CC1 ZINC001201797958 1037898507 /nfs/dbraw/zinc/89/85/07/1037898507.db2.gz ITEYHHITYBYIIS-FQEVSTJZSA-N 0 3 318.505 3.962 20 30 DHEDHN CO[C@H](C(=O)C(C#N)c1ccc2ccccc2n1)c1ccccc1 ZINC000916848170 1037989846 /nfs/dbraw/zinc/98/98/46/1037989846.db2.gz DDENHRIZVZEZIA-UZLBHIALSA-N 0 3 316.360 3.799 20 30 DHEDHN CCC(CC)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000916917199 1038039770 /nfs/dbraw/zinc/03/97/70/1038039770.db2.gz FXQGDLOECRBPHP-MRXNPFEDSA-N 0 3 308.381 3.923 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H](C)CC ZINC000916905405 1038043240 /nfs/dbraw/zinc/04/32/40/1038043240.db2.gz CANMBLJZNWPZTR-SWLSCSKDSA-N 0 3 300.402 3.505 20 30 DHEDHN CC(C)(C)SCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916912101 1038046772 /nfs/dbraw/zinc/04/67/72/1038046772.db2.gz YWBRBFQKGPTNIA-SNVBAGLBSA-N 0 3 324.833 3.519 20 30 DHEDHN CC[C@H](C)N(CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000595593157 1038107351 /nfs/dbraw/zinc/10/73/51/1038107351.db2.gz OLOWQMSEHXJMEM-INIZCTEOSA-N 0 3 315.461 3.671 20 30 DHEDHN C=CCCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000588017781 1038218064 /nfs/dbraw/zinc/21/80/64/1038218064.db2.gz VOYATJTVJFOUAH-HNNXBMFYSA-N 0 3 306.475 3.604 20 30 DHEDHN COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CCc2cc(C#N)ccc21 ZINC000588958708 1038411098 /nfs/dbraw/zinc/41/10/98/1038411098.db2.gz JKAMWWUUTAVPLR-MSOLQXFVSA-N 0 3 322.383 3.970 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001192653154 1038687327 /nfs/dbraw/zinc/68/73/27/1038687327.db2.gz MJNAPTNXSXJTCG-HUUCEWRRSA-N 0 3 317.351 3.810 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000057620410 1038691245 /nfs/dbraw/zinc/69/12/45/1038691245.db2.gz PUGASJVPHSEZEJ-SFHVURJKSA-N 0 3 318.848 3.581 20 30 DHEDHN N#Cc1cccc(CN2CCC(c3cccc(C#N)c3)CC2)c1 ZINC001203762489 1038693964 /nfs/dbraw/zinc/69/39/64/1038693964.db2.gz JUBCKCYXQOHLPW-UHFFFAOYSA-N 0 3 301.393 3.810 20 30 DHEDHN C[C@H](c1ccccc1)[C@@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000590712993 1038694176 /nfs/dbraw/zinc/69/41/76/1038694176.db2.gz KZEDMWCKNIFWPZ-UXPWSPDFSA-N 0 3 308.425 3.786 20 30 DHEDHN C[C@H](c1ccccc1)[C@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000590712991 1038695019 /nfs/dbraw/zinc/69/50/19/1038695019.db2.gz KZEDMWCKNIFWPZ-LSTHTHJFSA-N 0 3 308.425 3.786 20 30 DHEDHN N#Cc1ccc(NC(=O)CN(C2CCC2)C2CCC2)cc1Cl ZINC000573277142 1038895169 /nfs/dbraw/zinc/89/51/69/1038895169.db2.gz VTPQBMBHDDCXBB-UHFFFAOYSA-N 0 3 317.820 3.557 20 30 DHEDHN COc1ccc(CNCc2ccc(CC#N)cc2)cc1OC1CC1 ZINC000598982291 1038974206 /nfs/dbraw/zinc/97/42/06/1038974206.db2.gz HRUQAZUHJQEHIL-UHFFFAOYSA-N 0 3 322.408 3.592 20 30 DHEDHN CCCOc1ccc(CNCc2ccc(C#N)cc2)cc1OC ZINC000061106425 1038983186 /nfs/dbraw/zinc/98/31/86/1038983186.db2.gz UCQHONIMHPGQSR-UHFFFAOYSA-N 0 3 310.397 3.645 20 30 DHEDHN Cc1cccc2c1C[C@H](N[C@@H](C)c1ccc(C#N)cc1F)CO2 ZINC000599064185 1039017967 /nfs/dbraw/zinc/01/79/67/1039017967.db2.gz KSCROFIACGAQLZ-ZFWWWQNUSA-N 0 3 310.372 3.660 20 30 DHEDHN Cc1ccc(CN(Cc2ccc(CC#N)cc2)CC2CC2)cn1 ZINC000592146926 1039131716 /nfs/dbraw/zinc/13/17/16/1039131716.db2.gz WOXHGOGJBAAUOX-UHFFFAOYSA-N 0 3 305.425 3.868 20 30 DHEDHN Cc1cc(Cl)ccc1C1=CCN(CCOCCC#N)CC1 ZINC000599619336 1039229472 /nfs/dbraw/zinc/22/94/72/1039229472.db2.gz HVZZGTUUUHKEOD-UHFFFAOYSA-N 0 3 304.821 3.668 20 30 DHEDHN COc1ccc([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)cc1F ZINC000599675939 1039254196 /nfs/dbraw/zinc/25/41/96/1039254196.db2.gz AHQHTSJPAIQQTI-QGZVFWFLSA-N 0 3 310.372 3.695 20 30 DHEDHN CCCN(CCOc1ccccc1C#N)Cc1ccccc1F ZINC000604493417 1039484637 /nfs/dbraw/zinc/48/46/37/1039484637.db2.gz VMOUQXFTRKZJRB-UHFFFAOYSA-N 0 3 312.388 3.988 20 30 DHEDHN CN(CCOc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000058829495 1039570524 /nfs/dbraw/zinc/57/05/24/1039570524.db2.gz VCJOCPHYTALRJT-UHFFFAOYSA-N 0 3 300.789 3.722 20 30 DHEDHN C[C@@H](Cc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000171928354 1039669631 /nfs/dbraw/zinc/66/96/31/1039669631.db2.gz WGTRYECKUPPBJA-ZFWWWQNUSA-N 0 3 304.349 3.883 20 30 DHEDHN C=CCCCN(C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000605738768 1039744057 /nfs/dbraw/zinc/74/40/57/1039744057.db2.gz RKWACBSQQJOVBP-KRWDZBQOSA-N 0 3 314.473 3.712 20 30 DHEDHN COc1ccc(C[C@@H]2CCCCN2Cc2ccc(C#N)cn2)cc1 ZINC000594014364 1039942174 /nfs/dbraw/zinc/94/21/74/1039942174.db2.gz CAGQNDUNCIPOJK-IBGZPJMESA-N 0 3 321.424 3.559 20 30 DHEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCc3ccc(O)cc32)cc1 ZINC000594978353 1039951010 /nfs/dbraw/zinc/95/10/10/1039951010.db2.gz AAJCRPGYJRLACX-LJQANCHMSA-N 0 3 306.409 3.970 20 30 DHEDHN CSc1cc(CNCc2ccc(C3(C#N)CC3)cc2)ccn1 ZINC000594935427 1039952451 /nfs/dbraw/zinc/95/24/51/1039952451.db2.gz PBMDTRVVJWRMDM-UHFFFAOYSA-N 0 3 309.438 3.648 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C2(C#N)CC2)cc1 ZINC000594939514 1039955063 /nfs/dbraw/zinc/95/50/63/1039955063.db2.gz RLKDXIIXGVXXGJ-HXUWFJFHSA-N 0 3 313.404 3.891 20 30 DHEDHN C=CCCSCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000594960383 1039965305 /nfs/dbraw/zinc/96/53/05/1039965305.db2.gz PIJXUMUVFYXJBK-UHFFFAOYSA-N 0 3 300.811 3.647 20 30 DHEDHN C=CCCSCCNCc1nc2ccccc2n1CCC ZINC000594960579 1039966940 /nfs/dbraw/zinc/96/69/40/1039966940.db2.gz URQDGDWDLLYZFU-UHFFFAOYSA-N 0 3 303.475 3.845 20 30 DHEDHN COCc1csc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594986258 1040000062 /nfs/dbraw/zinc/00/00/62/1040000062.db2.gz UYUNGDUYQVRJSE-UHFFFAOYSA-N 0 3 312.438 3.739 20 30 DHEDHN COc1cc(C#N)ccc1OCCN1CC=C(C(C)(C)C)CC1 ZINC000533957826 1040025074 /nfs/dbraw/zinc/02/50/74/1040025074.db2.gz PBXJEDBMDAHRAV-UHFFFAOYSA-N 0 3 314.429 3.624 20 30 DHEDHN C[C@]1(c2ccccc2)CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000575062848 1040121286 /nfs/dbraw/zinc/12/12/86/1040121286.db2.gz BCDGCUJXIFOFMP-IBGZPJMESA-N 0 3 321.380 3.630 20 30 DHEDHN N#Cc1ccc(C2=CCN(CCOCc3ccccc3)CC2)cc1 ZINC000595408627 1040130729 /nfs/dbraw/zinc/13/07/29/1040130729.db2.gz RETQBDHPSPSFAH-UHFFFAOYSA-N 0 3 318.420 3.864 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC000596597433 1040509011 /nfs/dbraw/zinc/50/90/11/1040509011.db2.gz RXHQILOSHCOHQW-UHFFFAOYSA-N 0 3 322.456 3.795 20 30 DHEDHN C=C(C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])c1ccccc1 ZINC000761198836 1040562636 /nfs/dbraw/zinc/56/26/36/1040562636.db2.gz VTIZWQVXLLXFJD-UHFFFAOYSA-N 0 3 303.789 3.857 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCCn2nccc21 ZINC000601321670 1040597800 /nfs/dbraw/zinc/59/78/00/1040597800.db2.gz TWMJJCFCBXEYLR-QZTJIDSGSA-N 0 3 306.413 3.647 20 30 DHEDHN COc1ccc(CN(C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000596976855 1040614025 /nfs/dbraw/zinc/61/40/25/1040614025.db2.gz BEKCGPHMJCBCFV-UHFFFAOYSA-N 0 3 306.409 3.882 20 30 DHEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)Cc1ccc2c(c1)OCO2 ZINC000596980904 1040614100 /nfs/dbraw/zinc/61/41/00/1040614100.db2.gz WTEVBRHKVMLDOG-UHFFFAOYSA-N 0 3 320.392 3.602 20 30 DHEDHN C=CCC(C)(C)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456327014 1040780360 /nfs/dbraw/zinc/78/03/60/1040780360.db2.gz HCMRFJYYVRREKN-KRWDZBQOSA-N 0 3 314.473 3.569 20 30 DHEDHN N#Cc1c(F)cccc1CNCC1([C@@H]2CCCCO2)CCC1 ZINC000602016861 1040849433 /nfs/dbraw/zinc/84/94/33/1040849433.db2.gz IHXBSACWJXGKQQ-KRWDZBQOSA-N 0 3 302.393 3.526 20 30 DHEDHN Cc1csc(CCCCNCc2cccc(F)c2C#N)n1 ZINC000602003093 1040851815 /nfs/dbraw/zinc/85/18/15/1040851815.db2.gz RAZJAXDIKAOUCZ-UHFFFAOYSA-N 0 3 303.406 3.575 20 30 DHEDHN COc1cc(CN[C@@H]2CCc3cc(C)cc(C)c32)ccc1C#N ZINC000594525283 1040888118 /nfs/dbraw/zinc/88/81/18/1040888118.db2.gz UXTGHZNTQPLBPE-GOSISDBHSA-N 0 3 306.409 3.961 20 30 DHEDHN CN(Cc1cccc(C#N)n1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000602452356 1041028200 /nfs/dbraw/zinc/02/82/00/1041028200.db2.gz HWAHZFBARBIBDS-PXNSSMCTSA-N 0 3 321.424 3.553 20 30 DHEDHN C[C@@H](CCC#N)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000602475341 1041039126 /nfs/dbraw/zinc/03/91/26/1041039126.db2.gz UKAVDHAVRDXJNY-VIFPVBQESA-N 0 3 302.262 3.743 20 30 DHEDHN CC1(C)CC(N=Nc2ccc(F)cn2)CN1Cc1ccccc1 ZINC000761259281 1041051047 /nfs/dbraw/zinc/05/10/47/1041051047.db2.gz QVIFQYBHLNCJLF-UHFFFAOYSA-N 0 3 312.392 3.673 20 30 DHEDHN C[C@@H](CCC#N)CNCc1csc(CCc2ccccc2)n1 ZINC000602591310 1041105163 /nfs/dbraw/zinc/10/51/63/1041105163.db2.gz YXWGOTDUUBNCQQ-HNNXBMFYSA-N 0 3 313.470 3.958 20 30 DHEDHN N#CC1CCC(N[C@@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000602582975 1041113337 /nfs/dbraw/zinc/11/33/37/1041113337.db2.gz ZWGKDGOTUDZMTE-YVNUBYTISA-N 0 3 309.388 3.982 20 30 DHEDHN C[C@@H](NC1CCC(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000602641099 1041126125 /nfs/dbraw/zinc/12/61/25/1041126125.db2.gz QLTLTXYCHKMDLY-XNWIYYODSA-N 0 3 303.353 3.895 20 30 DHEDHN C[C@@H](CCC#N)CN[C@H](CO)c1cccc(Cl)c1Cl ZINC000602719544 1041175138 /nfs/dbraw/zinc/17/51/38/1041175138.db2.gz YADCFKXZBBOUAA-GXFFZTMASA-N 0 3 301.217 3.556 20 30 DHEDHN Cc1cc(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)ccc1C#N ZINC000602732236 1041185291 /nfs/dbraw/zinc/18/52/91/1041185291.db2.gz QXIDRZLUFXBNQM-WOJBJXKFSA-N 0 3 306.409 3.565 20 30 DHEDHN C[C@@H](CCC#N)CNCc1c(Cl)cccc1OC(F)F ZINC000602750771 1041197881 /nfs/dbraw/zinc/19/78/81/1041197881.db2.gz CCDHGBQCEQZWCH-JTQLQIEISA-N 0 3 302.752 3.971 20 30 DHEDHN COc1cc(Br)ccc1[C@H](C)NCC1(CC#N)CC1 ZINC000602816662 1041256476 /nfs/dbraw/zinc/25/64/76/1041256476.db2.gz QTVORGIKNBZXPX-NSHDSACASA-N 0 3 323.234 3.802 20 30 DHEDHN Cc1cc(C)c(CN2CCC(c3ccc(C#N)cn3)CC2)c(C)n1 ZINC000602907263 1041296159 /nfs/dbraw/zinc/29/61/59/1041296159.db2.gz RFLQMQCHANPGOK-UHFFFAOYSA-N 0 3 320.440 3.653 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1ccccc1Cl ZINC000598586205 1041348923 /nfs/dbraw/zinc/34/89/23/1041348923.db2.gz QGABJMOVEINLAD-CJNGLKHVSA-N 0 3 306.837 3.778 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1ccccc1Cl)CC1CC1 ZINC000598616576 1041362324 /nfs/dbraw/zinc/36/23/24/1041362324.db2.gz MDNYVFRYAGYOAF-MRXNPFEDSA-N 0 3 320.864 3.853 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCc3c2cccc3O)cc1 ZINC000130368079 334925305 /nfs/dbraw/zinc/92/53/05/334925305.db2.gz QMNXRUASYUMAMK-AUUYWEPGSA-N 0 3 307.393 3.742 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000190719085 334956781 /nfs/dbraw/zinc/95/67/81/334956781.db2.gz PJNWBLKHXXGBFD-FQEVSTJZSA-N 0 3 314.473 3.678 20 30 DHEDHN C#CCCOc1ccc(CNCc2cc(F)cc(OC)c2)cc1 ZINC000093970409 335006919 /nfs/dbraw/zinc/00/69/19/335006919.db2.gz ADRIUQBNMCOXIU-UHFFFAOYSA-N 0 3 313.372 3.526 20 30 DHEDHN N#Cc1cccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000024880306 182393784 /nfs/dbraw/zinc/39/37/84/182393784.db2.gz YTBYXYUUGLPQGQ-UHFFFAOYSA-N 0 3 316.408 3.814 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)s1 ZINC000563821289 335029403 /nfs/dbraw/zinc/02/94/03/335029403.db2.gz QGVZLCLWBRPXOE-ZACQAIPSSA-N 0 3 304.459 3.525 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000442708624 335034429 /nfs/dbraw/zinc/03/44/29/335034429.db2.gz JXKQRXFSWDIZOE-CZUORRHYSA-N 0 3 311.360 3.795 20 30 DHEDHN COc1cc(CNCc2cccc(C(F)(F)F)c2)ccc1C#N ZINC000391633340 335035470 /nfs/dbraw/zinc/03/54/70/335035470.db2.gz LGPSGSDENSDVIU-UHFFFAOYSA-N 0 3 320.314 3.875 20 30 DHEDHN COc1ccc([C@H](CN(C)C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000284363323 131074348 /nfs/dbraw/zinc/07/43/48/131074348.db2.gz NFFQAUSENFKIET-YWZLYKJASA-N 0 3 323.440 3.520 20 30 DHEDHN C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H](c1ccccc1)N(C)C ZINC000287932027 131306698 /nfs/dbraw/zinc/30/66/98/131306698.db2.gz XHMWJKHPLWNOMI-ZWNOBZJWSA-N 0 3 320.849 3.771 20 30 DHEDHN C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H](c1ccccc1)N(C)C ZINC000287932025 131306937 /nfs/dbraw/zinc/30/69/37/131306937.db2.gz XHMWJKHPLWNOMI-MFKMUULPSA-N 0 3 320.849 3.771 20 30 DHEDHN Cc1ccccc1NC(=O)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000298407955 132061371 /nfs/dbraw/zinc/06/13/71/132061371.db2.gz LXEITDIODTZBKD-JKSUJKDBSA-N 0 3 321.424 3.935 20 30 DHEDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000299438247 132105817 /nfs/dbraw/zinc/10/58/17/132105817.db2.gz WMHYDZMDXLPILV-RHSMWYFYSA-N 0 3 307.397 3.626 20 30 DHEDHN C=C[C@H](CO)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000289766053 335065249 /nfs/dbraw/zinc/06/52/49/335065249.db2.gz LYDLGLABJLXOLR-QMTHXVAHSA-N 0 3 322.861 3.969 20 30 DHEDHN C=C[C@H](CO)N[C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000289802886 335065714 /nfs/dbraw/zinc/06/57/14/335065714.db2.gz OBOZYZBCEVPSAC-HUUCEWRRSA-N 0 3 314.454 3.632 20 30 DHEDHN C=CCC(C)(C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000292296849 335087441 /nfs/dbraw/zinc/08/74/41/335087441.db2.gz PSXYNKVOUYXIKY-UHFFFAOYSA-N 0 3 314.473 3.678 20 30 DHEDHN C=CCN(C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000154791184 338252737 /nfs/dbraw/zinc/25/27/37/338252737.db2.gz HTSQCHFIVYVEAA-UHFFFAOYSA-N 0 3 306.150 3.668 20 30 DHEDHN C=CC[C@H](CC)[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000281510854 332782602 /nfs/dbraw/zinc/78/26/02/332782602.db2.gz XJHNULCGNMVWKY-NSHDSACASA-N 0 3 314.223 3.608 20 30 DHEDHN Cc1nsc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1C#N ZINC000557624976 331803533 /nfs/dbraw/zinc/80/35/33/331803533.db2.gz UKLKAIHEWZODQS-AWEZNQCLSA-N 0 3 320.849 3.691 20 30 DHEDHN CCCN(CC(=O)Nc1sc(C)c(C)c1C#N)CC(C)C ZINC000426362973 332083869 /nfs/dbraw/zinc/08/38/69/332083869.db2.gz DHRUXOBDYXQJMZ-UHFFFAOYSA-N 0 3 307.463 3.543 20 30 DHEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2c2cccc3ccccc32)C1=O ZINC000410343903 332113573 /nfs/dbraw/zinc/11/35/73/332113573.db2.gz TXUPGODXCNVJAJ-WOJBJXKFSA-N 0 3 320.436 3.764 20 30 DHEDHN COc1cc(CN[C@@H]2CCc3ccc(Cl)cc32)ccc1C#N ZINC000569513666 332117703 /nfs/dbraw/zinc/11/77/03/332117703.db2.gz NANKJQDDKCCOQI-QGZVFWFLSA-N 0 3 312.800 3.997 20 30 DHEDHN C=CC[C@H](C(=O)NCCN1CCCC[C@@H]1CC)c1ccccc1 ZINC000426840738 332156784 /nfs/dbraw/zinc/15/67/84/332156784.db2.gz RDCJOQMIGJUBRT-OALUTQOASA-N 0 3 314.473 3.727 20 30 DHEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CN1C1CC1 ZINC000317753309 332170926 /nfs/dbraw/zinc/17/09/26/332170926.db2.gz ORCADJZRBFAAMB-GXFFZTMASA-N 0 3 309.335 3.614 20 30 DHEDHN CC1(C)CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCC[C@H]21 ZINC000559427738 332258015 /nfs/dbraw/zinc/25/80/15/332258015.db2.gz VSEBLBDJSSZGIB-HZPDHXFCSA-N 0 3 322.412 3.619 20 30 DHEDHN Cc1cc(C)cc([C@H](C)NCc2cnc3ccc(C#N)cn23)c1 ZINC000560255469 332324588 /nfs/dbraw/zinc/32/45/88/332324588.db2.gz UGMGSTCGLANAPG-HNNXBMFYSA-N 0 3 304.397 3.674 20 30 DHEDHN CC(C)[C@@H](CC(F)(F)F)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566302171 332325751 /nfs/dbraw/zinc/32/57/51/332325751.db2.gz UATLYQVWICVMAR-GFCCVEGCSA-N 0 3 315.295 3.533 20 30 DHEDHN Cc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)c1C ZINC000115603272 332333932 /nfs/dbraw/zinc/33/39/32/332333932.db2.gz AJZHJVXXMVFOPE-JKSUJKDBSA-N 0 3 321.424 3.853 20 30 DHEDHN C[C@@H](N[C@H](CO)C1CCCCC1)c1ccc(C#N)cc1Cl ZINC000583359327 332351005 /nfs/dbraw/zinc/35/10/05/332351005.db2.gz RCEKVZTWXNNASQ-SJKOYZFVSA-N 0 3 306.837 3.803 20 30 DHEDHN C=CCC[C@@H](NC[C@H](O)COc1cccc(C)c1)c1ccco1 ZINC000560531490 332353343 /nfs/dbraw/zinc/35/33/43/332353343.db2.gz ZJEVGEVMOKKIJF-FUHWJXTLSA-N 0 3 315.413 3.625 20 30 DHEDHN CCOc1cc(CN(C)CCCCC#N)ccc1OC(F)F ZINC000120079848 332382610 /nfs/dbraw/zinc/38/26/10/332382610.db2.gz QDXPULZKKKJBIU-UHFFFAOYSA-N 0 3 312.360 3.812 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1ccccc1C(=O)N(C)C ZINC000417753398 335107987 /nfs/dbraw/zinc/10/79/87/335107987.db2.gz JFEOESLACWXLDL-UHFFFAOYSA-N 0 3 322.452 3.619 20 30 DHEDHN CN(C)c1cccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000105434341 332956654 /nfs/dbraw/zinc/95/66/54/332956654.db2.gz RAJYCHJBZASXES-UHFFFAOYSA-N 0 3 323.440 3.725 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000185187770 335118157 /nfs/dbraw/zinc/11/81/57/335118157.db2.gz MNKVMPZFTCUIGQ-QGZVFWFLSA-N 0 3 314.473 3.678 20 30 DHEDHN CC(C)(C#N)c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000177726484 333132093 /nfs/dbraw/zinc/13/20/93/333132093.db2.gz QPDOHDOHQNFCSO-UHFFFAOYSA-N 0 3 310.401 3.524 20 30 DHEDHN CC(C)(CCC#N)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000179525675 333151944 /nfs/dbraw/zinc/15/19/44/333151944.db2.gz MKPNHYUYBLKHSX-UXBLZVDNSA-N 0 3 311.473 3.647 20 30 DHEDHN N#Cc1cccc(CN[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000181026800 333166995 /nfs/dbraw/zinc/16/69/95/333166995.db2.gz NFSQNSDBKJFGAA-QGZVFWFLSA-N 0 3 311.816 3.580 20 30 DHEDHN C[C@@H](NCCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182567073 333178921 /nfs/dbraw/zinc/17/89/21/333178921.db2.gz PPSDBGLAIGKTNE-OAHLLOKOSA-N 0 3 307.397 3.893 20 30 DHEDHN N#CCCCN1CCC(Oc2cccc(Br)c2)CC1 ZINC000183817550 333188055 /nfs/dbraw/zinc/18/80/55/333188055.db2.gz MGWIBUFSSQTMKD-UHFFFAOYSA-N 0 3 323.234 3.596 20 30 DHEDHN C=CCC[C@@H](N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccco1 ZINC000367625856 333190429 /nfs/dbraw/zinc/19/04/29/333190429.db2.gz ZFHCVGNZYOLLFV-IXDOHACOSA-N 0 3 316.445 3.668 20 30 DHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(-n2ccnc2)cc1 ZINC000582085798 333206235 /nfs/dbraw/zinc/20/62/35/333206235.db2.gz WRCYLUHRWFNERL-INIZCTEOSA-N 0 3 316.408 3.789 20 30 DHEDHN CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000185792355 333214084 /nfs/dbraw/zinc/21/40/84/333214084.db2.gz JAYLUWIXJDLIAP-BPUTZDHNSA-N 0 3 300.402 3.581 20 30 DHEDHN COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(C(F)(F)F)c1 ZINC000185808230 333214590 /nfs/dbraw/zinc/21/45/90/333214590.db2.gz IWAMEGLUUANRJH-DGCLKSJQSA-N 0 3 312.335 3.886 20 30 DHEDHN CCOCCOc1cc(C)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185861979 333215202 /nfs/dbraw/zinc/21/52/02/333215202.db2.gz FFWQPMPGEFIXDE-SJLPKXTDSA-N 0 3 316.445 3.582 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC([C@H]2CCCO2)CC1 ZINC000189144002 333255123 /nfs/dbraw/zinc/25/51/23/333255123.db2.gz UVDHTPJFMFLYPY-LJQANCHMSA-N 0 3 312.457 3.879 20 30 DHEDHN C=CCOc1ccccc1CNCCN1CCCC[C@@H]1CC ZINC000500885526 333257699 /nfs/dbraw/zinc/25/76/99/333257699.db2.gz DLUPMJAYEGMVOQ-SFHVURJKSA-N 0 3 302.462 3.606 20 30 DHEDHN CCOc1c(Cl)cc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000192701553 333291741 /nfs/dbraw/zinc/29/17/41/333291741.db2.gz MSEQEKKSJKMBHN-TZMCWYRMSA-N 0 3 322.836 3.919 20 30 DHEDHN C=CCCCC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000364355423 333297512 /nfs/dbraw/zinc/29/75/12/333297512.db2.gz DTLHTHYSVGURBD-UHFFFAOYSA-N 0 3 318.436 3.510 20 30 DHEDHN C=CCOc1cccc(CN[C@H]2C[C@H](CO)c3ccccc32)c1 ZINC000364426281 333313319 /nfs/dbraw/zinc/31/33/19/333313319.db2.gz AURFJJUBQNCNKF-UZLBHIALSA-N 0 3 309.409 3.562 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CCO3)n1 ZINC000531331249 333344236 /nfs/dbraw/zinc/34/42/36/333344236.db2.gz LCIWDWGIPZLAEN-CYBMUJFWSA-N 0 3 312.394 3.691 20 30 DHEDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)nc1 ZINC000390838054 333398351 /nfs/dbraw/zinc/39/83/51/333398351.db2.gz BAORNAWOCPTNBJ-IBGZPJMESA-N 0 3 320.440 3.666 20 30 DHEDHN C[C@H](Nc1cccc(OCCN(C)C)c1)c1ccc(C#N)cc1 ZINC000320108793 333425386 /nfs/dbraw/zinc/42/53/86/333425386.db2.gz RAWWCYKQTXYTJX-HNNXBMFYSA-N 0 3 309.413 3.672 20 30 DHEDHN COc1cccc(F)c1[C@H](C)NCCCC1(C#N)CCOCC1 ZINC000337188228 333443053 /nfs/dbraw/zinc/44/30/53/333443053.db2.gz QRQWMNBBWOUYBL-AWEZNQCLSA-N 0 3 320.408 3.585 20 30 DHEDHN C#CCCCN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296291725 335143073 /nfs/dbraw/zinc/14/30/73/335143073.db2.gz NFNGNYZPWJXRAT-UHFFFAOYSA-N 0 3 302.365 3.755 20 30 DHEDHN C#CCOc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000296382338 335144342 /nfs/dbraw/zinc/14/43/42/335144342.db2.gz JRWMZSBRSIMUOJ-FQEVSTJZSA-N 0 3 306.409 3.725 20 30 DHEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000411465881 333677112 /nfs/dbraw/zinc/67/71/12/333677112.db2.gz YLFZEABKANMHPS-CABCVRRESA-N 0 3 322.412 3.677 20 30 DHEDHN C[C@H](NCCC1(C#N)CCCCC1)c1ccc2c(c1)OCO2 ZINC000411466420 333677173 /nfs/dbraw/zinc/67/71/73/333677173.db2.gz ZLTLVLATJLFVNZ-AWEZNQCLSA-N 0 3 300.402 3.930 20 30 DHEDHN CCN1CC[C@H](N[C@H](C)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000411691707 333702068 /nfs/dbraw/zinc/70/20/68/333702068.db2.gz JTGUPJFVWLPZQW-DQYPLSBCSA-N 0 3 323.843 3.896 20 30 DHEDHN C=C(C)[C@@H](NC1CCC2(CC1)OCCO2)c1ccc(F)c(F)c1 ZINC000186446509 335157949 /nfs/dbraw/zinc/15/79/49/335157949.db2.gz JVRNFYOPBYIUQS-QGZVFWFLSA-N 0 3 323.383 3.857 20 30 DHEDHN CC[C@H](NCc1cc(C#N)cs1)c1ccc2c(c1)OCCO2 ZINC000343408820 335162862 /nfs/dbraw/zinc/16/28/62/335162862.db2.gz DFWSLCJPNKKIQB-HNNXBMFYSA-N 0 3 314.410 3.632 20 30 DHEDHN CCOC(=O)c1oc2c(c1C)[C@@H](NCC(C)(C)CC#N)CCC2 ZINC000414169036 333907054 /nfs/dbraw/zinc/90/70/54/333907054.db2.gz RIEHHIOAMFJFCG-ZDUSSCGKSA-N 0 3 318.417 3.672 20 30 DHEDHN CC(C)CCOC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264583339 333958249 /nfs/dbraw/zinc/95/82/49/333958249.db2.gz WEFIOPOVYBKGGC-UHFFFAOYSA-N 0 3 316.445 3.616 20 30 DHEDHN Cc1ccnc(NC[C@@H](c2ccccc2)N2CCCC2)c1C#N ZINC000343503199 335170132 /nfs/dbraw/zinc/17/01/32/335170132.db2.gz AQJQAVLJCCLARZ-SFHVURJKSA-N 0 3 306.413 3.511 20 30 DHEDHN COc1ccc2c(c1)[C@H](NCc1ccc(OCC#N)cc1)CCC2 ZINC000271494315 334024018 /nfs/dbraw/zinc/02/40/18/334024018.db2.gz PNWUBXDMPVIZEE-HXUWFJFHSA-N 0 3 322.408 3.765 20 30 DHEDHN Cc1cc(C2CCN(Cc3ccccc3C(C)(C)C#N)CC2)n[nH]1 ZINC000271591809 334024522 /nfs/dbraw/zinc/02/45/22/334024522.db2.gz GPBUINSONNULMM-UHFFFAOYSA-N 0 3 322.456 3.899 20 30 DHEDHN COc1ccc2c(c1)[C@H](NC1(c3cccc(C#N)c3)CC1)CC2 ZINC000272170152 334031284 /nfs/dbraw/zinc/03/12/84/334031284.db2.gz DEPCATPBSIDBCO-LJQANCHMSA-N 0 3 304.393 3.833 20 30 DHEDHN CC(C)c1ccc([C@@H](N)CNC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000414672857 334065751 /nfs/dbraw/zinc/06/57/51/334065751.db2.gz ICBFPOYTSXBVBI-SFHVURJKSA-N 0 3 322.412 3.503 20 30 DHEDHN CCOc1cc(CN(C)[C@H](C)CCC#N)ccc1OC(F)F ZINC000276314685 334075615 /nfs/dbraw/zinc/07/56/15/334075615.db2.gz NDCWSQRZBJDARS-GFCCVEGCSA-N 0 3 312.360 3.811 20 30 DHEDHN C[C@@H](CCC#N)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000276330291 334075722 /nfs/dbraw/zinc/07/57/22/334075722.db2.gz QYYXWAUDROTVML-SUMWQHHRSA-N 0 3 306.837 3.778 20 30 DHEDHN CCCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000278343494 334095314 /nfs/dbraw/zinc/09/53/14/334095314.db2.gz XZPOALGQMUKAPR-GOEBONIOSA-N 0 3 302.418 3.656 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)CC(C)C ZINC000343605514 335176625 /nfs/dbraw/zinc/17/66/25/335176625.db2.gz VZEUOSLCGRRHCK-OAHLLOKOSA-N 0 3 308.491 3.629 20 30 DHEDHN CC(C)CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000280089038 334114273 /nfs/dbraw/zinc/11/42/73/334114273.db2.gz OIKMOJVOOLWZFF-SFHVURJKSA-N 0 3 323.440 3.573 20 30 DHEDHN C[C@H](CCC(C)(C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280380754 334116904 /nfs/dbraw/zinc/11/69/04/334116904.db2.gz JVPSYCADKIWRPT-RHSMWYFYSA-N 0 3 311.429 3.572 20 30 DHEDHN C[C@H](CCC(C)(C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280380752 334116982 /nfs/dbraw/zinc/11/69/82/334116982.db2.gz JVPSYCADKIWRPT-PBHICJAKSA-N 0 3 311.429 3.572 20 30 DHEDHN C=CC[C@H](C)[C@H](C)NCc1ccncc1OCC(F)(F)F ZINC000343609482 335176916 /nfs/dbraw/zinc/17/69/16/335176916.db2.gz PEZQIKVRNPPCJM-RYUDHWBXSA-N 0 3 302.340 3.713 20 30 DHEDHN COc1ccc([C@@H](NCc2ccc(C#N)c(OC)c2)C2CC2)cc1 ZINC000281689177 334127817 /nfs/dbraw/zinc/12/78/17/334127817.db2.gz MXOVTVYENUORSI-FQEVSTJZSA-N 0 3 322.408 3.816 20 30 DHEDHN C[C@H]1c2ccsc2CCN1CCCC1(C#N)CCOCC1 ZINC000281959880 334129995 /nfs/dbraw/zinc/12/99/95/334129995.db2.gz KIANNYUSVIILID-AWEZNQCLSA-N 0 3 304.459 3.768 20 30 DHEDHN CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000287743532 334158462 /nfs/dbraw/zinc/15/84/62/334158462.db2.gz YVMGUPSNWWKRPR-KBMXLJTQSA-N 0 3 302.418 3.827 20 30 DHEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)CC(C)(C)CCC#N ZINC000289437713 334165358 /nfs/dbraw/zinc/16/53/58/334165358.db2.gz LNTICDQOZURIHY-UHFFFAOYSA-N 0 3 323.431 3.658 20 30 DHEDHN COc1ccc2[nH]cc(C3=CCN([C@@H]4CC[C@@H](C#N)C4)CC3)c2c1 ZINC000292787608 334192401 /nfs/dbraw/zinc/19/24/01/334192401.db2.gz LDNNEYRGTVFDGB-GDBMZVCRSA-N 0 3 321.424 3.958 20 30 DHEDHN C=C(CNCc1cc(OC)c(OC)cc1OC)c1ccccc1 ZINC000340434758 334199902 /nfs/dbraw/zinc/19/99/02/334199902.db2.gz OKRBNAXPERGXTL-UHFFFAOYSA-N 0 3 313.397 3.515 20 30 DHEDHN CCOc1cccc(CN[C@H]2CC[C@@H](CC#N)C2)c1OC(F)F ZINC000295140823 334219721 /nfs/dbraw/zinc/21/97/21/334219721.db2.gz ZOEADAJLURQPJB-JSGCOSHPSA-N 0 3 324.371 3.859 20 30 DHEDHN C=C(C)[C@@H](NC[C@H](O)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000187784835 334274762 /nfs/dbraw/zinc/27/47/62/334274762.db2.gz BCONYYLCXRSQPA-VQIMIIECSA-N 0 3 317.379 3.775 20 30 DHEDHN C=CCN1CC[C@@H](N(C)C[C@H](CC(C)C)c2ccccc2)C1=O ZINC000467524433 334266435 /nfs/dbraw/zinc/26/64/35/334266435.db2.gz YVIJBVVAFNHZQL-RBUKOAKNSA-N 0 3 314.473 3.535 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000187727890 334269931 /nfs/dbraw/zinc/26/99/31/334269931.db2.gz DKJJYWVGEZELEU-MGPUTAFESA-N 0 3 304.393 3.751 20 30 DHEDHN C=C[C@H](CC(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000534679537 334324086 /nfs/dbraw/zinc/32/40/86/334324086.db2.gz DFQSYHBIMOUSHL-FGTMMUONSA-N 0 3 314.473 3.725 20 30 DHEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000534941175 334349658 /nfs/dbraw/zinc/34/96/58/334349658.db2.gz DXOKVTMTYBSPBT-BEFAXECRSA-N 0 3 304.393 3.515 20 30 DHEDHN C[C@H]1[C@H](Nc2c(C#N)cccc2C#N)CCN1Cc1ccccc1 ZINC000340813751 334387265 /nfs/dbraw/zinc/38/72/65/334387265.db2.gz DUMULOFHKBSULB-HNAYVOBHSA-N 0 3 316.408 3.505 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CC)c1ccc(C)cc1 ZINC000341036297 334403864 /nfs/dbraw/zinc/40/38/64/334403864.db2.gz JQFNJFOSYHJTHB-FUHWJXTLSA-N 0 3 302.462 3.849 20 30 DHEDHN CC[C@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000341220833 334419134 /nfs/dbraw/zinc/41/91/34/334419134.db2.gz SPNZZVZTHNMGQU-KDOFPFPSSA-N 0 3 307.397 3.626 20 30 DHEDHN C=CC[C@H](CO)CN[C@H](CC)c1ccccc1Br ZINC000341878792 334489062 /nfs/dbraw/zinc/48/90/62/334489062.db2.gz SOMYNHOTBALTTF-SWLSCSKDSA-N 0 3 312.251 3.674 20 30 DHEDHN COc1ncc([C@@H](C)NCCc2cccc(C#N)c2)cc1Cl ZINC000342574575 334552064 /nfs/dbraw/zinc/55/20/64/334552064.db2.gz IPGRMJQPMNXVIM-GFCCVEGCSA-N 0 3 315.804 3.509 20 30 DHEDHN C=CCCc1ccccc1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000415670595 334617828 /nfs/dbraw/zinc/61/78/28/334617828.db2.gz HXCNMBUTAPRPCR-UHFFFAOYSA-N 0 3 321.424 3.730 20 30 DHEDHN C=C[C@@H](CC(=O)NCc1ccccc1CN(C)C)c1ccccc1 ZINC000124032739 334742759 /nfs/dbraw/zinc/74/27/59/334742759.db2.gz VMFKUOWHQXVREH-KRWDZBQOSA-N 0 3 322.452 3.724 20 30 DHEDHN C=CCn1cc(CNCC2CCC(c3ccccc3)CC2)nn1 ZINC000425361695 334842421 /nfs/dbraw/zinc/84/24/21/334842421.db2.gz ZWZMUVORAXWFQZ-UHFFFAOYSA-N 0 3 310.445 3.528 20 30 DHEDHN Cc1ccnc(N[C@H](C)[C@@H](c2ccccc2C)N(C)C)c1C#N ZINC000343805681 335194369 /nfs/dbraw/zinc/19/43/69/335194369.db2.gz ISWQWKHFNNJUKW-QAPCUYQASA-N 0 3 308.429 3.673 20 30 DHEDHN N#Cc1ccc(CNCCc2ccc3ccccc3n2)c(F)c1 ZINC000343915455 335201854 /nfs/dbraw/zinc/20/18/54/335201854.db2.gz GKLHJIVAAWHHRC-UHFFFAOYSA-N 0 3 305.356 3.578 20 30 DHEDHN C[C@@H](NCc1cc(-n2ccnc2)cs1)c1ccc(C#N)cc1 ZINC000344137738 335220919 /nfs/dbraw/zinc/22/09/19/335220919.db2.gz WRHXJPRLRPFXAJ-CYBMUJFWSA-N 0 3 308.410 3.656 20 30 DHEDHN Cc1cc(CNCCOc2ccc(C#N)cc2)cc2cccnc12 ZINC000344212049 335225610 /nfs/dbraw/zinc/22/56/10/335225610.db2.gz IPBFSZKSSUZWIV-UHFFFAOYSA-N 0 3 317.392 3.584 20 30 DHEDHN N#Cc1ccc(OCCN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000344319754 335240625 /nfs/dbraw/zinc/24/06/25/335240625.db2.gz HDWXJVOBTKMGDE-IBGZPJMESA-N 0 3 310.372 3.743 20 30 DHEDHN CN(c1ccccc1)c1ccc(CNCCCC#N)cc1[N+](=O)[O-] ZINC000344344420 335242987 /nfs/dbraw/zinc/24/29/87/335242987.db2.gz DLZGTZVTXJXFHI-UHFFFAOYSA-N 0 3 324.384 3.756 20 30 DHEDHN N#CCCCOc1cccc(CN[C@@H](CCO)c2ccccc2)c1 ZINC000344439226 335254253 /nfs/dbraw/zinc/25/42/53/335254253.db2.gz MAADBQICEBIHGZ-FQEVSTJZSA-N 0 3 324.424 3.582 20 30 DHEDHN Cc1cc(C)c(C#N)c(NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC000345327811 335317747 /nfs/dbraw/zinc/31/77/47/335317747.db2.gz IAIDUHZQEMGNQP-IBGZPJMESA-N 0 3 320.440 3.819 20 30 DHEDHN Cc1sc(CNC(=O)C(C)C#N)nc1-c1ccc(Cl)cc1 ZINC000345767212 335349948 /nfs/dbraw/zinc/34/99/48/335349948.db2.gz QLLMWPMFYXTOJM-VIFPVBQESA-N 0 3 319.817 3.548 20 30 DHEDHN COCC[C@@H](Cc1ccco1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000346819655 335443479 /nfs/dbraw/zinc/44/34/79/335443479.db2.gz XIQLCZHOHYZJGB-ZFWWWQNUSA-N 0 3 316.376 3.589 20 30 DHEDHN Cc1ccc([C@@H](CC(=O)OC(C)C)NCCC(C)(C)C#N)cc1 ZINC000347020856 335459974 /nfs/dbraw/zinc/45/99/74/335459974.db2.gz VFLKHLFNAGMXPC-QGZVFWFLSA-N 0 3 316.445 3.907 20 30 DHEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1)c1ccccc1Cl ZINC000052660167 335801517 /nfs/dbraw/zinc/80/15/17/335801517.db2.gz GDNNWCPNYHYGCM-SFHVURJKSA-N 0 3 313.832 3.604 20 30 DHEDHN C=CCOc1cccc(CNCCOc2ccc(F)c(F)c2)c1 ZINC000520228910 335941343 /nfs/dbraw/zinc/94/13/43/335941343.db2.gz RYGRNYWPBMUJEQ-UHFFFAOYSA-N 0 3 319.351 3.698 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cnc2n[nH]c(C)c2c1 ZINC000351606030 336049422 /nfs/dbraw/zinc/04/94/22/336049422.db2.gz AOTDKDYORCIRQV-UHFFFAOYSA-N 0 3 319.412 3.550 20 30 DHEDHN C[C@@H](CCC#N)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000351607123 336049821 /nfs/dbraw/zinc/04/98/21/336049821.db2.gz HUHHTMGDPSNUAO-KRWDZBQOSA-N 0 3 307.441 3.650 20 30 DHEDHN Cc1ccnc(-c2cccc(NC(=O)CN3[C@H](C)CC[C@H]3C)c2)n1 ZINC000329964749 336100642 /nfs/dbraw/zinc/10/06/42/336100642.db2.gz UBFDFVVSSQUBMT-HUUCEWRRSA-N 0 3 324.428 3.913 20 30 DHEDHN O=C(Nc1ncc(-c2ccccc2)cn1)C1CCN(C2CC2)CC1 ZINC000330098386 336113373 /nfs/dbraw/zinc/11/33/73/336113373.db2.gz BUVTUMMGDKETKO-UHFFFAOYSA-N 0 3 322.412 3.606 20 30 DHEDHN O=C(CN(C1CCC1)C1CCC1)NC(=O)NC1CCCCC1 ZINC000330236723 336128059 /nfs/dbraw/zinc/12/80/59/336128059.db2.gz AIPSNZWVICXDDX-UHFFFAOYSA-N 0 3 307.438 3.597 20 30 DHEDHN COc1ccccc1C[C@@H](C)N(C)Cc1cccc(C#N)c1F ZINC000324302242 336131983 /nfs/dbraw/zinc/13/19/83/336131983.db2.gz POXKYDFNHDVTJZ-CQSZACIVSA-N 0 3 312.388 3.769 20 30 DHEDHN CC(C#N)C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000352138329 336196379 /nfs/dbraw/zinc/19/63/79/336196379.db2.gz XZZMTGUYGYVDMT-OSMZGAPFSA-N 0 3 310.319 3.617 20 30 DHEDHN N#Cc1ccc(CNCCc2ccc(F)cc2Cl)c(F)c1 ZINC000532568066 336255768 /nfs/dbraw/zinc/25/57/68/336255768.db2.gz QDLQWHXTDMKGTF-UHFFFAOYSA-N 0 3 306.743 3.822 20 30 DHEDHN C[C@@H](CNCc1ccc(C#N)cc1F)Oc1ccccc1Cl ZINC000532566673 336255811 /nfs/dbraw/zinc/25/58/11/336255811.db2.gz GPYUYACPXAGZPH-LBPRGKRZSA-N 0 3 318.779 3.908 20 30 DHEDHN C[C@H](O)CN(CC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000532608472 336257553 /nfs/dbraw/zinc/25/75/53/336257553.db2.gz UZTPYIZPAGLUQI-HNNXBMFYSA-N 0 3 305.849 3.707 20 30 DHEDHN N#Cc1ccc(OCCNCc2ccc(F)cc2Cl)cc1 ZINC000532628148 336258720 /nfs/dbraw/zinc/25/87/20/336258720.db2.gz AZSUTKHGHSHGNF-UHFFFAOYSA-N 0 3 304.752 3.519 20 30 DHEDHN C[C@H](CNc1snc(Cl)c1C#N)N(C)Cc1ccccc1 ZINC000301223684 336295536 /nfs/dbraw/zinc/29/55/36/336295536.db2.gz AKCMWQDXOUJRDV-LLVKDONJSA-N 0 3 320.849 3.601 20 30 DHEDHN Cc1ccc([C@@H](CNc2ccc(F)cc2C#N)N2CCCC2)o1 ZINC000301427170 336305978 /nfs/dbraw/zinc/30/59/78/336305978.db2.gz UNCZOCDPQZPGAF-QGZVFWFLSA-N 0 3 313.376 3.848 20 30 DHEDHN CC(=O)c1ccc(C#N)c(NC[C@H]2CCCCN2CC(C)C)c1 ZINC000302113457 336349096 /nfs/dbraw/zinc/34/90/96/336349096.db2.gz BKAHJOQTVADURS-GOSISDBHSA-N 0 3 313.445 3.683 20 30 DHEDHN C=CCN1CCC(Nc2cc(C)nc3c(F)c(F)ccc23)CC1 ZINC000302702529 336365640 /nfs/dbraw/zinc/36/56/40/336365640.db2.gz GBNAZBPFMUBKMJ-UHFFFAOYSA-N 0 3 317.383 3.884 20 30 DHEDHN N#Cc1cccc(C#N)c1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000302819461 336370399 /nfs/dbraw/zinc/37/03/99/336370399.db2.gz CQKPLYVURONIKW-LJQANCHMSA-N 0 3 316.408 3.506 20 30 DHEDHN CC[C@@H](CC#N)N[C@@H]1CCc2cccc(Br)c2C1 ZINC000352916000 336376845 /nfs/dbraw/zinc/37/68/45/336376845.db2.gz QXQCOYZQMQLZND-QWHCGFSZSA-N 0 3 307.235 3.588 20 30 DHEDHN C=CCOc1ccccc1CNC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000353203115 336406292 /nfs/dbraw/zinc/40/62/92/336406292.db2.gz BFKGDTOZHHXVCX-CTNGQTDRSA-N 0 3 323.436 3.507 20 30 DHEDHN N#CCCC[C@H](NCc1cccc2nccn21)c1ccccc1 ZINC000353914933 336447953 /nfs/dbraw/zinc/44/79/53/336447953.db2.gz LWWWZCYENWAZSC-SFHVURJKSA-N 0 3 304.397 3.859 20 30 DHEDHN N#CC1(c2ccccn2)CCN(CCCc2ccccc2)CC1 ZINC000367259859 336582569 /nfs/dbraw/zinc/58/25/69/336582569.db2.gz KVKDUWDZPCECAZ-UHFFFAOYSA-N 0 3 305.425 3.572 20 30 DHEDHN N#Cc1ccc(CNC2CCC3(CCOCC3)CC2)c(F)c1 ZINC000358199521 336616496 /nfs/dbraw/zinc/61/64/96/336616496.db2.gz HUVYKXTUQURGOO-UHFFFAOYSA-N 0 3 302.393 3.526 20 30 DHEDHN C[C@H](NC[C@H](c1cccs1)N(C)C)c1ccc(C#N)cc1F ZINC000358576312 336635293 /nfs/dbraw/zinc/63/52/93/336635293.db2.gz TYSARGZORNSXOS-BLLLJJGKSA-N 0 3 317.433 3.712 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CCC1 ZINC000359546563 336677053 /nfs/dbraw/zinc/67/70/53/336677053.db2.gz QJTKOCBALFGTOY-HUUCEWRRSA-N 0 3 304.434 3.571 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(CO)c(F)c1 ZINC000360646023 336717094 /nfs/dbraw/zinc/71/70/94/336717094.db2.gz GENZFUKUURQJBS-FQEVSTJZSA-N 0 3 324.399 3.747 20 30 DHEDHN N#Cc1cccc(CN[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000360838679 336723883 /nfs/dbraw/zinc/72/38/83/336723883.db2.gz VFQUQYNVBTVFME-FQEVSTJZSA-N 0 3 301.393 3.987 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Cc2ccccn2)CC1 ZINC000361158413 336741637 /nfs/dbraw/zinc/74/16/37/336741637.db2.gz TZSPRXYNBYHDGG-MRXNPFEDSA-N 0 3 305.425 3.969 20 30 DHEDHN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(C#N)c1 ZINC000362043894 336783231 /nfs/dbraw/zinc/78/32/31/336783231.db2.gz YBPXUIIUTPNQBK-CWFSZBLJSA-N 0 3 306.409 3.987 20 30 DHEDHN N#Cc1cccc(CN2CCC3(CC2)OCc2ccccc23)c1 ZINC000372741997 336938583 /nfs/dbraw/zinc/93/85/83/336938583.db2.gz RPYQTDRGWYIBKK-UHFFFAOYSA-N 0 3 304.393 3.580 20 30 DHEDHN N#CCCCOc1cccc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000375317597 337007890 /nfs/dbraw/zinc/00/78/90/337007890.db2.gz GRSPHXPFJXEMNI-MOPGFXCFSA-N 0 3 314.429 3.513 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(c2ccccc2CO)CC1 ZINC000375556065 337013420 /nfs/dbraw/zinc/01/34/20/337013420.db2.gz CLCRXTGICCIBRD-MRXNPFEDSA-N 0 3 320.436 3.991 20 30 DHEDHN Cc1cccc([C@H]2CCCN2CCCC2(C#N)CCOCC2)n1 ZINC000375596146 337014074 /nfs/dbraw/zinc/01/40/74/337014074.db2.gz JLEFLINLPDBRPU-GOSISDBHSA-N 0 3 313.445 3.628 20 30 DHEDHN CCCc1noc(-c2cccc(CN[C@H]3CCC[C@@H](C#N)C3)c2)n1 ZINC000375721072 337017745 /nfs/dbraw/zinc/01/77/45/337017745.db2.gz URFQMOOJLKYHEA-PBHICJAKSA-N 0 3 324.428 3.861 20 30 DHEDHN C[C@H](NC[C@H]1CCCn2ccnc21)c1ccc(C#N)cc1Cl ZINC000375740491 337018367 /nfs/dbraw/zinc/01/83/67/337018367.db2.gz FZKHBTJWFHYBMW-GXTWGEPZSA-N 0 3 314.820 3.636 20 30 DHEDHN C[C@@H](c1ccccc1)N1CCC(Nc2cc(C#N)ccn2)CC1 ZINC000376205207 337029388 /nfs/dbraw/zinc/02/93/88/337029388.db2.gz NCQFYYSERJKVSW-HNNXBMFYSA-N 0 3 306.413 3.591 20 30 DHEDHN N#CCSCCCN1CCC(c2c(F)cccc2F)CC1 ZINC000376336633 337031672 /nfs/dbraw/zinc/03/16/72/337031672.db2.gz VYRZCRVBEZFIRA-UHFFFAOYSA-N 0 3 310.413 3.791 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000376956093 337044174 /nfs/dbraw/zinc/04/41/74/337044174.db2.gz QRSAIYOQTAEJIR-GOSISDBHSA-N 0 3 314.473 3.632 20 30 DHEDHN CC[C@H](N[C@@H]1C[C@H](CO)c2ccccc21)c1ccc(C#N)cc1 ZINC000377077823 337046432 /nfs/dbraw/zinc/04/64/32/337046432.db2.gz MKHVONRTOMNDIS-LSTHTHJFSA-N 0 3 306.409 3.820 20 30 DHEDHN CN1CC[C@H](NCCC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377679596 337058154 /nfs/dbraw/zinc/05/81/54/337058154.db2.gz ZBLGWSDVFHPFFJ-HOTGVXAUSA-N 0 3 323.843 3.754 20 30 DHEDHN CN1CCC[C@H](CNc2cccnc2C#N)[C@H]1c1cccs1 ZINC000378062140 337065741 /nfs/dbraw/zinc/06/57/41/337065741.db2.gz SLTFLNDTIHQORP-DYVFJYSZSA-N 0 3 312.442 3.510 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1cc(Br)cs1 ZINC000194127424 337081756 /nfs/dbraw/zinc/08/17/56/337081756.db2.gz VUYIUGJDMSPCEO-JTQLQIEISA-N 0 3 304.253 3.754 20 30 DHEDHN N#CCCCN[C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000360023094 337084018 /nfs/dbraw/zinc/08/40/18/337084018.db2.gz RFCXMUDHQVGKHV-ABAIWWIYSA-N 0 3 313.228 3.964 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2c(CC)cccc2CC)CC1 ZINC000171737955 337089038 /nfs/dbraw/zinc/08/90/38/337089038.db2.gz APAIZKOWCMXUSJ-UHFFFAOYSA-N 0 3 315.461 3.583 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NC[C@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000582719046 337124773 /nfs/dbraw/zinc/12/47/73/337124773.db2.gz QURPCWTWHDJUEY-IIDMSEBBSA-N 0 3 317.864 3.759 20 30 DHEDHN C=CCN1CCC(N[C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000177912499 337158829 /nfs/dbraw/zinc/15/88/29/337158829.db2.gz BMQQYXJQEMSJJX-ZDUSSCGKSA-N 0 3 308.853 3.650 20 30 DHEDHN C=CCN1CCC(N[C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000177912520 337158913 /nfs/dbraw/zinc/15/89/13/337158913.db2.gz BMQQYXJQEMSJJX-CYBMUJFWSA-N 0 3 308.853 3.650 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc([C@H](C)O)cc2)cc1 ZINC000178548072 337163239 /nfs/dbraw/zinc/16/32/39/337163239.db2.gz YEXFSZPJGRYLBW-CVEARBPZSA-N 0 3 309.409 3.603 20 30 DHEDHN C=CCOc1cccc(CN2CCC(OCC(C)C)CC2)c1 ZINC000179454148 337169604 /nfs/dbraw/zinc/16/96/04/337169604.db2.gz MVBRLUIEGKLATQ-UHFFFAOYSA-N 0 3 303.446 3.888 20 30 DHEDHN C=CCSCCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000180455303 337174681 /nfs/dbraw/zinc/17/46/81/337174681.db2.gz XIFYSFKNJSWPIR-CYBMUJFWSA-N 0 3 319.449 3.890 20 30 DHEDHN C=CCC[C@@H](CO)NCc1ccc(Br)cc1Cl ZINC000321069353 337193424 /nfs/dbraw/zinc/19/34/24/337193424.db2.gz ZPTZQCLADOCXLJ-LBPRGKRZSA-N 0 3 318.642 3.519 20 30 DHEDHN COc1ccccc1C[C@@H](C)N(C)Cc1cc(C#N)ccc1F ZINC000321094808 337197785 /nfs/dbraw/zinc/19/77/85/337197785.db2.gz NZUYSLQEIHKLAV-CQSZACIVSA-N 0 3 312.388 3.769 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000216619712 337223901 /nfs/dbraw/zinc/22/39/01/337223901.db2.gz FNYNIOSLHZJYMR-INIZCTEOSA-N 0 3 308.425 3.691 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000189924568 337283718 /nfs/dbraw/zinc/28/37/18/337283718.db2.gz SVCWOYJXYIEGEC-YOEHRIQHSA-N 0 3 306.475 3.604 20 30 DHEDHN CCOc1cccc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000190920136 337291454 /nfs/dbraw/zinc/29/14/54/337291454.db2.gz DRXYTCYTTGBNRO-OAHLLOKOSA-N 0 3 317.348 3.519 20 30 DHEDHN N#CC(C(=O)c1cccc2ncccc21)c1cnc2ccccc2n1 ZINC000190899537 337292182 /nfs/dbraw/zinc/29/21/82/337292182.db2.gz IAKMLFCBMIKISW-OAHLLOKOSA-N 0 3 324.343 3.668 20 30 DHEDHN N#CCCC1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000583869782 337362602 /nfs/dbraw/zinc/36/26/02/337362602.db2.gz IEUQHSWLWCAYEF-UHFFFAOYSA-N 0 3 306.413 3.659 20 30 DHEDHN CCCCCCCCCCN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000584650085 337380709 /nfs/dbraw/zinc/38/07/09/337380709.db2.gz VMDXIZMOOCYQSW-QGZVFWFLSA-N 0 3 311.514 3.863 20 30 DHEDHN N#Cc1ccc(CNCc2cccc(Br)c2)cc1 ZINC000037505867 337395670 /nfs/dbraw/zinc/39/56/70/337395670.db2.gz YGNMACPTZJYFAP-UHFFFAOYSA-N 0 3 301.187 3.611 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000264983960 337632993 /nfs/dbraw/zinc/63/29/93/337632993.db2.gz VHOSBDVIVCAQFA-INIZCTEOSA-N 0 3 304.393 3.811 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000268203008 337634984 /nfs/dbraw/zinc/63/49/84/337634984.db2.gz ZEZXDVTYMNTDSF-MRXNPFEDSA-N 0 3 318.486 3.770 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000268203005 337635010 /nfs/dbraw/zinc/63/50/10/337635010.db2.gz ZEZXDVTYMNTDSF-INIZCTEOSA-N 0 3 318.486 3.770 20 30 DHEDHN CC[C@@H](NCc1cccc(OCCOC)c1)c1ccc(C#N)cc1 ZINC000572468723 337666390 /nfs/dbraw/zinc/66/63/90/337666390.db2.gz YHXDSKGXBBEFEL-HXUWFJFHSA-N 0 3 324.424 3.824 20 30 DHEDHN CC(C)c1ccc(NC(=O)[C@H](N)CCCC#N)c(C(C)C)c1 ZINC000424094343 337733169 /nfs/dbraw/zinc/73/31/69/337733169.db2.gz UJTSNIINMWKNHY-MRXNPFEDSA-N 0 3 301.434 3.893 20 30 DHEDHN C=C(C)COc1cc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)ccc1OC ZINC000527805659 337765244 /nfs/dbraw/zinc/76/52/44/337765244.db2.gz VNCKNKIOLSITBU-XLPNERPQSA-N 0 3 319.445 3.552 20 30 DHEDHN COC(=O)CC1(NCC#Cc2cccc(Cl)c2)CCCCC1 ZINC000533068097 337808221 /nfs/dbraw/zinc/80/82/21/337808221.db2.gz IIDHZEUOEAYTDJ-UHFFFAOYSA-N 0 3 319.832 3.547 20 30 DHEDHN C=C(C)CNC1(c2cccc(Br)c2)CCOCC1 ZINC000533348603 337842398 /nfs/dbraw/zinc/84/23/98/337842398.db2.gz ZSRDQNACSVAHDO-UHFFFAOYSA-N 0 3 310.235 3.621 20 30 DHEDHN C=CC[C@H](CO)CNCc1cc(Cl)ccc1OC1CCCC1 ZINC000537023223 337868963 /nfs/dbraw/zinc/86/89/63/337868963.db2.gz QAYFKGXNKRBUAG-AWEZNQCLSA-N 0 3 323.864 3.936 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000424573502 337869215 /nfs/dbraw/zinc/86/92/15/337869215.db2.gz YBORBORPEUCYSR-KRWDZBQOSA-N 0 3 300.446 3.542 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000537049868 337884204 /nfs/dbraw/zinc/88/42/04/337884204.db2.gz UHQLRPADNLOWPP-SJORKVTESA-N 0 3 314.473 3.531 20 30 DHEDHN N#Cc1cccc(OCCCNC2(c3cccc(F)c3)CC2)c1 ZINC000537087323 337888245 /nfs/dbraw/zinc/88/82/45/337888245.db2.gz MJEYKLPUXZMVEJ-UHFFFAOYSA-N 0 3 310.372 3.745 20 30 DHEDHN CC(C)(C#N)CNC1CC(c2cccc(Br)c2)C1 ZINC000122222188 337910058 /nfs/dbraw/zinc/91/00/58/337910058.db2.gz DJXXQBLTVLRHMZ-UHFFFAOYSA-N 0 3 307.235 3.834 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000516071193 338003530 /nfs/dbraw/zinc/00/35/30/338003530.db2.gz FWXLXTFQVMUFDB-HOCLYGCPSA-N 0 3 320.502 3.850 20 30 DHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@H]1OCCc2sccc21 ZINC000426341553 338028037 /nfs/dbraw/zinc/02/80/37/338028037.db2.gz CUWGCXYFUPOXGO-OEPMTFCVSA-N 0 3 324.449 3.899 20 30 DHEDHN C=CCC[C@H](C)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000428990991 338068022 /nfs/dbraw/zinc/06/80/22/338068022.db2.gz JECISYWHEYNDRY-IINYFYTJSA-N 0 3 316.214 3.566 20 30 DHEDHN CCOc1cc(CN(C)[C@H]2CC[C@H](C#N)C2)ccc1OC(F)F ZINC000429722395 338088518 /nfs/dbraw/zinc/08/85/18/338088518.db2.gz IHGCEFTZFMUZGI-JSGCOSHPSA-N 0 3 324.371 3.811 20 30 DHEDHN CCOc1cc(CN(C)[C@H]2CC[C@@H](C#N)C2)ccc1OC(F)F ZINC000429722396 338088521 /nfs/dbraw/zinc/08/85/21/338088521.db2.gz IHGCEFTZFMUZGI-OCCSQVGLSA-N 0 3 324.371 3.811 20 30 DHEDHN C=CCC(C)(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000429889333 338091550 /nfs/dbraw/zinc/09/15/50/338091550.db2.gz VBFSCAYGQJILIA-UHFFFAOYSA-N 0 3 314.473 3.542 20 30 DHEDHN COc1ccc2c(c1)[C@@H](NCC1(CC#N)CC1)CCCS2 ZINC000430742770 338113036 /nfs/dbraw/zinc/11/30/36/338113036.db2.gz NEFOBAPCGBKNOU-HNNXBMFYSA-N 0 3 302.443 3.906 20 30 DHEDHN Cc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC1(CC#N)CC1 ZINC000430752168 338113629 /nfs/dbraw/zinc/11/36/29/338113629.db2.gz FEROSMCQSKQFDV-ZDUSSCGKSA-N 0 3 319.836 3.649 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccccc1Cl ZINC000433107598 338182060 /nfs/dbraw/zinc/18/20/60/338182060.db2.gz ZLCQEJLMIWAPII-OAHLLOKOSA-N 0 3 312.800 3.729 20 30 DHEDHN CCc1ccc(CNC(=O)C(C#N)CCc2ccccc2)s1 ZINC000433226454 338186674 /nfs/dbraw/zinc/18/66/74/338186674.db2.gz GQUKNMJBMDRMGV-OAHLLOKOSA-N 0 3 312.438 3.699 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCc2occc21 ZINC000433225531 338186706 /nfs/dbraw/zinc/18/67/06/338186706.db2.gz IVXUHIJDFIYFGK-RDJZCZTQSA-N 0 3 308.381 3.546 20 30 DHEDHN Cc1nc2ccccc2n1CCCCCN(C)CC(C)(C)C#N ZINC000433303383 338190728 /nfs/dbraw/zinc/19/07/28/338190728.db2.gz HZTOJOZPMKPNEZ-UHFFFAOYSA-N 0 3 312.461 3.997 20 30 DHEDHN CN(CCc1ccc(F)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433309054 338191133 /nfs/dbraw/zinc/19/11/33/338191133.db2.gz WLLQYYVGXUYWAN-SFHVURJKSA-N 0 3 324.399 3.599 20 30 DHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(-c2ccccc2)s1 ZINC000435726527 338246386 /nfs/dbraw/zinc/24/63/86/338246386.db2.gz QJSZIGFPQNSQGF-CRAIPNDOSA-N 0 3 314.454 3.881 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000155624116 338297690 /nfs/dbraw/zinc/29/76/90/338297690.db2.gz GVSGTIWOMFBMMA-LBPRGKRZSA-N 0 3 303.324 3.829 20 30 DHEDHN COc1ccc(C#N)cc1CN(C)[C@H]1CCc2ccccc2C1 ZINC000437548960 338313236 /nfs/dbraw/zinc/31/32/36/338313236.db2.gz QOJIKPQZYFGORZ-IBGZPJMESA-N 0 3 306.409 3.556 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)CC1(O)CCC(C)CC1 ZINC000438831359 338352967 /nfs/dbraw/zinc/35/29/67/338352967.db2.gz BRJWRXCEVYZHTI-UHFFFAOYSA-N 0 3 303.446 3.624 20 30 DHEDHN C[C@H]1N(Cc2ccc(C#N)cc2Cl)CCC12CCOCC2 ZINC000439439770 338369338 /nfs/dbraw/zinc/36/93/38/338369338.db2.gz NJKYTSJCXFNPTM-CYBMUJFWSA-N 0 3 304.821 3.603 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1Cl)[C@@H]1COc2ccccc21 ZINC000439441369 338369652 /nfs/dbraw/zinc/36/96/52/338369652.db2.gz JLDRMTQJKQNWQA-LRDDRELGSA-N 0 3 312.800 3.866 20 30 DHEDHN C[C@H](O)CN(Cc1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000439459698 338370270 /nfs/dbraw/zinc/37/02/70/338370270.db2.gz HFCJUWNKDGAXES-ZDUSSCGKSA-N 0 3 306.837 3.727 20 30 DHEDHN COc1cc(CN[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)ccc1C#N ZINC000440624891 338392956 /nfs/dbraw/zinc/39/29/56/338392956.db2.gz JPTOJIQZASRMBB-ARGWCVDVSA-N 0 3 322.408 3.610 20 30 DHEDHN COc1cc(CNC[C@@H]2CCC3(CCCCC3)O2)ccc1C#N ZINC000440634434 338393467 /nfs/dbraw/zinc/39/34/67/338393467.db2.gz GPWXQLLBVSWBBF-KRWDZBQOSA-N 0 3 314.429 3.538 20 30 DHEDHN Cc1cc(CN2CCSCC2)ccc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000442859901 338435537 /nfs/dbraw/zinc/43/55/37/338435537.db2.gz VVBPSIPHUWVSEY-NVXWUHKLSA-N 0 3 315.486 3.648 20 30 DHEDHN CC[C@H](N[C@H](C)CC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000447589691 338560006 /nfs/dbraw/zinc/56/00/06/338560006.db2.gz YQOMZAUSLOUAST-CJNGLKHVSA-N 0 3 302.418 3.719 20 30 DHEDHN OC1CCC2(CC1)CCN(CC#Cc1ccc(Cl)cc1)CC2 ZINC000451149451 338723105 /nfs/dbraw/zinc/72/31/05/338723105.db2.gz ZTDGOYBXJZHSSF-UHFFFAOYSA-N 0 3 317.860 3.709 20 30 DHEDHN CCC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)C(C)(C)C ZINC000451417088 338733674 /nfs/dbraw/zinc/73/36/74/338733674.db2.gz BKCFYYNULQZTGS-AWEZNQCLSA-N 0 3 321.490 3.980 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000451606194 338740202 /nfs/dbraw/zinc/74/02/02/338740202.db2.gz MJRRFXFOSRIQBU-HONMWMINSA-N 0 3 301.308 3.579 20 30 DHEDHN Fc1ccc(CNCCOCC(F)(F)F)cc1C(F)(F)F ZINC000163443602 338742779 /nfs/dbraw/zinc/74/27/79/338742779.db2.gz SJBQOUIZFZUKIR-UHFFFAOYSA-N 0 3 319.220 3.513 20 30 DHEDHN N#CCC1(CN[C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453208953 338808207 /nfs/dbraw/zinc/80/82/07/338808207.db2.gz HYZRKLAJTIYGNN-DLBZAZTESA-N 0 3 318.848 3.714 20 30 DHEDHN N#CC[C@@H]1CC[C@H](N[C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000453285649 338818769 /nfs/dbraw/zinc/81/87/69/338818769.db2.gz CHHDZUKAKASGFN-FNHZYXHNSA-N 0 3 309.388 3.982 20 30 DHEDHN CO[C@@](C)(CN[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000453323315 338824801 /nfs/dbraw/zinc/82/48/01/338824801.db2.gz PLEUGQNGPIYFIA-PMACEKPBSA-N 0 3 306.409 3.697 20 30 DHEDHN C=CCC[C@@H](CO)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000453335983 338826901 /nfs/dbraw/zinc/82/69/01/338826901.db2.gz APQOQVYBSNFAEZ-KGLIPLIRSA-N 0 3 303.402 3.728 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000453361724 338831775 /nfs/dbraw/zinc/83/17/75/338831775.db2.gz PFCOUAZLNUHMGX-MAZHCROVSA-N 0 3 301.386 3.744 20 30 DHEDHN C=CCCC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456790692 338940942 /nfs/dbraw/zinc/94/09/42/338940942.db2.gz LQIVTXHGHMKODM-UHFFFAOYSA-N 0 3 322.836 3.718 20 30 DHEDHN COC(=O)c1cccc2c1CCN(CCCCC(C)(C)C#N)C2 ZINC000459545466 339035024 /nfs/dbraw/zinc/03/50/24/339035024.db2.gz LREMGYFYQINGTD-UHFFFAOYSA-N 0 3 314.429 3.551 20 30 DHEDHN N#CCCC[C@@H](NCc1cnc(C2CC2)nc1)c1ccccc1 ZINC000459598461 339037947 /nfs/dbraw/zinc/03/79/47/339037947.db2.gz WNYCAIBEEFTQSG-GOSISDBHSA-N 0 3 306.413 3.879 20 30 DHEDHN Cc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1Br ZINC000459667075 339041817 /nfs/dbraw/zinc/04/18/17/339041817.db2.gz RTEKKQVZRYCXTJ-JSGCOSHPSA-N 0 3 307.235 3.930 20 30 DHEDHN CC(C)(CC#N)CNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000459690787 339043167 /nfs/dbraw/zinc/04/31/67/339043167.db2.gz JUBZBWMNFZFJMW-UHFFFAOYSA-N 0 3 302.809 3.555 20 30 DHEDHN C=CCC[C@H](CCC)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462855604 339094409 /nfs/dbraw/zinc/09/44/09/339094409.db2.gz NZSUXPWOXRREFR-PKOBYXMFSA-N 0 3 302.462 3.800 20 30 DHEDHN C=CCCCN(C)Cc1nc2ccc(Br)cc2o1 ZINC000463107477 339105993 /nfs/dbraw/zinc/10/59/93/339105993.db2.gz TYPULICKUWIUJU-UHFFFAOYSA-N 0 3 309.207 3.988 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000464649327 339147824 /nfs/dbraw/zinc/14/78/24/339147824.db2.gz QDNKZKXHULDBAE-IEBWSBKVSA-N 0 3 314.473 3.850 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)CC[C@H]1C)C(C)C ZINC000465539346 339179056 /nfs/dbraw/zinc/17/90/56/339179056.db2.gz CVZHKYYFVGMHMS-RCCFBDPRSA-N 0 3 321.509 3.515 20 30 DHEDHN COCC[C@@H]1CCCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000467274330 339229557 /nfs/dbraw/zinc/22/95/57/339229557.db2.gz GDAIYDVIFWUYTA-KRWDZBQOSA-N 0 3 305.849 3.830 20 30 DHEDHN CN(CCCOc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000468267844 339258278 /nfs/dbraw/zinc/25/82/78/339258278.db2.gz JVASLWDOEOSBEW-UHFFFAOYSA-N 0 3 316.351 3.737 20 30 DHEDHN Cc1ccccc1OCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC000468281255 339258684 /nfs/dbraw/zinc/25/86/84/339258684.db2.gz MOLOPKMASVAGKH-UHFFFAOYSA-N 0 3 312.388 3.907 20 30 DHEDHN C=CC[C@@H](C(=O)NC[C@H]1N(C)CCCC1(C)C)c1ccccc1 ZINC000468488100 339263941 /nfs/dbraw/zinc/26/39/41/339263941.db2.gz PJDMBNOHTDXOQC-QZTJIDSGSA-N 0 3 314.473 3.583 20 30 DHEDHN C=CCOCCCN(C)Cc1ccccc1OC(F)(F)F ZINC000470720256 339325944 /nfs/dbraw/zinc/32/59/44/339325944.db2.gz RMAKOZPWWSAVQO-UHFFFAOYSA-N 0 3 303.324 3.610 20 30 DHEDHN C=CCOCCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000470720509 339325955 /nfs/dbraw/zinc/32/59/55/339325955.db2.gz VWJJESAQQMNXAP-UHFFFAOYSA-N 0 3 321.848 3.827 20 30 DHEDHN C=CCOCCCN1CC=C(c2ccccc2OCC)CC1 ZINC000470721875 339326176 /nfs/dbraw/zinc/32/61/76/339326176.db2.gz FLLSFIPHDWNLSI-UHFFFAOYSA-N 0 3 301.430 3.767 20 30 DHEDHN C=CCOCCCN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000470766436 339327263 /nfs/dbraw/zinc/32/72/63/339327263.db2.gz PXJWXSPFWCLXBR-HNNXBMFYSA-N 0 3 309.837 3.776 20 30 DHEDHN C=C(C)CN(CCC(=O)Nc1ccc(C)cn1)Cc1ccccc1 ZINC000470915400 339331039 /nfs/dbraw/zinc/33/10/39/339331039.db2.gz ZPSUBFBZQBLXAM-UHFFFAOYSA-N 0 3 323.440 3.797 20 30 DHEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000470918432 339331174 /nfs/dbraw/zinc/33/11/74/339331174.db2.gz JGAKHQHBMVXBKF-LJQANCHMSA-N 0 3 311.425 3.505 20 30 DHEDHN C=CCCCCNCc1ccc(OC)c(O)c1Br ZINC000472043391 339360441 /nfs/dbraw/zinc/36/04/41/339360441.db2.gz PSIQAFPHBNCWSG-UHFFFAOYSA-N 0 3 314.223 3.609 20 30 DHEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1cccc(Br)c1 ZINC000472776232 339377467 /nfs/dbraw/zinc/37/74/67/339377467.db2.gz USPDQWJFEOJCTB-HOTGVXAUSA-N 0 3 324.262 3.913 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)c1ccccc1)C(C)C ZINC000475297053 339444978 /nfs/dbraw/zinc/44/49/78/339444978.db2.gz OGDYUBXKKLCADZ-IEBWSBKVSA-N 0 3 314.473 3.605 20 30 DHEDHN C=C(C)CN[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494206207 339943777 /nfs/dbraw/zinc/94/37/77/339943777.db2.gz VUVTWLSEPUIXOQ-WBVHZDCISA-N 0 3 324.827 3.695 20 30 DHEDHN C=CCC[C@H](CCC)[NH2+][C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000494349902 339947142 /nfs/dbraw/zinc/94/71/42/339947142.db2.gz OZYZVEHDZKPTJP-CABCVRRESA-N 0 3 313.449 3.961 20 30 DHEDHN CC(C)(C#N)CCCCN[C@@H](CO)c1cccc(Cl)c1F ZINC000499937055 340047377 /nfs/dbraw/zinc/04/73/77/340047377.db2.gz BKNAZYFJRHCJJY-AWEZNQCLSA-N 0 3 312.816 3.822 20 30 DHEDHN COc1ccc(C#N)cc1NC1CCN(Cc2ccccc2)CC1 ZINC000500994885 340071716 /nfs/dbraw/zinc/07/17/16/340071716.db2.gz CXRVMCIWEYBRLE-UHFFFAOYSA-N 0 3 321.424 3.643 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000501218743 340076343 /nfs/dbraw/zinc/07/63/43/340076343.db2.gz RLUJEIKMAROINZ-HNAYVOBHSA-N 0 3 306.409 3.945 20 30 DHEDHN FC(F)O[C@@H]1CCCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000502578071 340108223 /nfs/dbraw/zinc/10/82/23/340108223.db2.gz HMNXKRHFJTVKFF-HUUCEWRRSA-N 0 3 313.775 3.832 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccccc1)C(C)C ZINC000503409329 340127589 /nfs/dbraw/zinc/12/75/89/340127589.db2.gz JQXJRRSCFYPBOY-KRWDZBQOSA-N 0 3 301.434 3.507 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccccc1C)C(C)C ZINC000503412398 340127675 /nfs/dbraw/zinc/12/76/75/340127675.db2.gz UKZKIBWCEUWUMC-SFHVURJKSA-N 0 3 315.461 3.815 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C1CCCCC1)C(C)C ZINC000503443404 340128494 /nfs/dbraw/zinc/12/84/94/340128494.db2.gz WYOOMCSHMVLLJA-GOSISDBHSA-N 0 3 321.509 3.659 20 30 DHEDHN N#Cc1ccccc1OCCN1CC[C@@H](c2ccccc2F)C1 ZINC000503595490 340131994 /nfs/dbraw/zinc/13/19/94/340131994.db2.gz YIMDSNDBDYGNQF-MRXNPFEDSA-N 0 3 310.372 3.566 20 30 DHEDHN C=CCCc1ccccc1NC(=O)NCCN1CCCCCC1 ZINC000505029089 340159390 /nfs/dbraw/zinc/15/93/90/340159390.db2.gz LCSPDLOPNXCTEW-UHFFFAOYSA-N 0 3 315.461 3.803 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N1CCCN(C(C)C)CC1 ZINC000505038891 340159639 /nfs/dbraw/zinc/15/96/39/340159639.db2.gz LFPDJYWGUYSMTQ-UHFFFAOYSA-N 0 3 315.461 3.753 20 30 DHEDHN COCCN(C)CC[C@@H](Nc1ccc(C#N)cc1)c1ccccc1 ZINC000505577398 340171642 /nfs/dbraw/zinc/17/16/42/340171642.db2.gz VKLAXTWFGMESFK-HXUWFJFHSA-N 0 3 323.440 3.680 20 30 DHEDHN N#Cc1ccc(OCCN[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000506202256 340188481 /nfs/dbraw/zinc/18/84/81/340188481.db2.gz GESBVMASVPKKJU-GOSISDBHSA-N 0 3 312.800 3.868 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000507213127 340213865 /nfs/dbraw/zinc/21/38/65/340213865.db2.gz PNNQOZNKLQEOSW-UHFFFAOYSA-N 0 3 306.409 3.904 20 30 DHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507779022 340231034 /nfs/dbraw/zinc/23/10/34/340231034.db2.gz TYQSNCBSQXMOHI-AEFFLSMTSA-N 0 3 318.417 3.788 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(F)c(C)c1)C(C)C ZINC000508518433 340245563 /nfs/dbraw/zinc/24/55/63/340245563.db2.gz OEHLXKKRAWTLTQ-SFHVURJKSA-N 0 3 318.436 3.563 20 30 DHEDHN CC(C#N)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000509544918 340272957 /nfs/dbraw/zinc/27/29/57/340272957.db2.gz XOMCUTCXUAXJEJ-LLVKDONJSA-N 0 3 310.319 3.751 20 30 DHEDHN CN(CCOc1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000302808202 340282568 /nfs/dbraw/zinc/28/25/68/340282568.db2.gz QYXHRJVECSYMPW-UHFFFAOYSA-N 0 3 300.789 3.722 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510547460 340302295 /nfs/dbraw/zinc/30/22/95/340302295.db2.gz KKLMMLGMOZPCHV-APWZRJJASA-N 0 3 314.473 3.871 20 30 DHEDHN C=CCN(CC1CCCCC1)C(=O)NC[C@H]1CCCCN1CC ZINC000303424983 340325060 /nfs/dbraw/zinc/32/50/60/340325060.db2.gz BNZWYCDDOKBFLO-GOSISDBHSA-N 0 3 321.509 3.639 20 30 DHEDHN C=CCOc1cccc(CN(C)C[C@H]2OCCc3ccccc32)c1 ZINC000511671869 340334757 /nfs/dbraw/zinc/33/47/57/340334757.db2.gz PAPTXUPJSIPLBU-OAQYLSRUSA-N 0 3 323.436 3.997 20 30 DHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCCC(F)(F)C1 ZINC000512161064 340350360 /nfs/dbraw/zinc/35/03/60/340350360.db2.gz CTOMMUAXOJUKAE-CQSZACIVSA-N 0 3 313.388 3.976 20 30 DHEDHN C[C@H](O)C[C@H]1CCCCCN1CC#Cc1ccc(Cl)cc1 ZINC000512440040 340361940 /nfs/dbraw/zinc/36/19/40/340361940.db2.gz ZMUNSMQBJMPRAY-MAUKXSAKSA-N 0 3 305.849 3.707 20 30 DHEDHN C[C@@H](COc1cccc(F)c1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512634820 340370160 /nfs/dbraw/zinc/37/01/60/340370160.db2.gz FADHQRZTEBJJDJ-STQMWFEESA-N 0 3 316.351 3.955 20 30 DHEDHN COc1ccc(OC)c(CN(CCCC(C)(C)C#N)C2CC2)c1 ZINC000174817779 340396662 /nfs/dbraw/zinc/39/66/62/340396662.db2.gz RHHMZJDITLMFDM-UHFFFAOYSA-N 0 3 316.445 3.998 20 30 DHEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000174840785 340397259 /nfs/dbraw/zinc/39/72/59/340397259.db2.gz RJTKZCOOOPFVJW-OAHLLOKOSA-N 0 3 323.481 3.648 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@H](C)CCC2CCCCC2)CC1 ZINC000522444502 340601709 /nfs/dbraw/zinc/60/17/09/340601709.db2.gz UZTNJSNUNOPCRH-MRXNPFEDSA-N 0 3 321.509 3.685 20 30 DHEDHN C=C(C)COCCN[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000125611086 340805024 /nfs/dbraw/zinc/80/50/24/340805024.db2.gz CIUKGQGGROSEEJ-GFCCVEGCSA-N 0 3 303.324 3.829 20 30 DHEDHN C[C@@H](NCCCOc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000538187453 340812384 /nfs/dbraw/zinc/81/23/84/340812384.db2.gz JACHWUMXFAQARH-CYBMUJFWSA-N 0 3 316.351 3.956 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000538208434 340813320 /nfs/dbraw/zinc/81/33/20/340813320.db2.gz SHCBHTUTVLFXDM-IAGOWNOFSA-N 0 3 302.462 3.767 20 30 DHEDHN CC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)C(C)(C)C ZINC000539492712 340886838 /nfs/dbraw/zinc/88/68/38/340886838.db2.gz IEJZXVJKFBWRNM-ZDUSSCGKSA-N 0 3 307.463 3.589 20 30 DHEDHN Clc1cccc(C#CCN[C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128598523 340899515 /nfs/dbraw/zinc/89/95/15/340899515.db2.gz TUBRJZBOANNASF-ZWKOTPCHSA-N 0 3 313.832 3.662 20 30 DHEDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540705510 340942261 /nfs/dbraw/zinc/94/22/61/340942261.db2.gz LSFWFCPFSHLJMN-KPOBHBOGSA-N 0 3 323.415 3.793 20 30 DHEDHN COc1ccc(C2(CNCc3ccc(C#N)cc3F)CCC2)cc1 ZINC000542299025 341003629 /nfs/dbraw/zinc/00/36/29/341003629.db2.gz YJJWFHMQHLOGCF-UHFFFAOYSA-N 0 3 324.399 3.917 20 30 DHEDHN C[C@]1(NCC#Cc2ccc(C(F)(F)F)cc2)CCO[C@H]1C1CC1 ZINC000542312769 341004152 /nfs/dbraw/zinc/00/41/52/341004152.db2.gz CXXXKDBNHPIOHH-IRXDYDNUSA-N 0 3 323.358 3.604 20 30 DHEDHN C=CCN(CC1CCCCC1)C(=O)CCN(C)c1ccncc1 ZINC000543712925 341054847 /nfs/dbraw/zinc/05/48/47/341054847.db2.gz VOQAMLZUKRYHEB-UHFFFAOYSA-N 0 3 315.461 3.503 20 30 DHEDHN N#CCC1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000543809231 341060075 /nfs/dbraw/zinc/06/00/75/341060075.db2.gz JGFXPWLLGOGDPH-UHFFFAOYSA-N 0 3 312.335 3.710 20 30 DHEDHN C=CCOc1cccc(CN(CCO)Cc2ccc(C)cc2)c1 ZINC000544034020 341067478 /nfs/dbraw/zinc/06/74/78/341067478.db2.gz DTPWUKNBPHSYOX-UHFFFAOYSA-N 0 3 311.425 3.554 20 30 DHEDHN Cc1ccccc1OCCCN(C)Cc1ccc(CC#N)cc1 ZINC000544071782 341069177 /nfs/dbraw/zinc/06/91/77/341069177.db2.gz WZMTXASARKINFW-UHFFFAOYSA-N 0 3 308.425 3.962 20 30 DHEDHN N#Cc1ccc(CN(CCOc2cccc(F)c2)C2CC2)cc1 ZINC000544183142 341073268 /nfs/dbraw/zinc/07/32/68/341073268.db2.gz CNNVITCMZBNHFQ-UHFFFAOYSA-N 0 3 310.372 3.741 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC(C)C)c1cccs1 ZINC000544452431 341082853 /nfs/dbraw/zinc/08/28/53/341082853.db2.gz RBKDBYKJYMAJST-HNNXBMFYSA-N 0 3 306.475 3.626 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000075756939 341182063 /nfs/dbraw/zinc/18/20/63/341182063.db2.gz FUGJVTQUMCYGBQ-AWEZNQCLSA-N 0 3 311.381 3.831 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000076737360 341213270 /nfs/dbraw/zinc/21/32/70/341213270.db2.gz ZQLAYOFRCUZHBB-LBPRGKRZSA-N 0 3 312.360 3.513 20 30 DHEDHN CC(C)CN(CC(=O)Nc1sccc1C#N)CC(C)(C)C ZINC000134447878 341215443 /nfs/dbraw/zinc/21/54/43/341215443.db2.gz XNDHAEONXJONKM-UHFFFAOYSA-N 0 3 307.463 3.562 20 30 DHEDHN Clc1ccccc1C#CCN1CCN(C2CCCCC2)CC1 ZINC000135160305 341232580 /nfs/dbraw/zinc/23/25/80/341232580.db2.gz ZYPRRZUVACDWCX-UHFFFAOYSA-N 0 3 316.876 3.642 20 30 DHEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000078714837 341246529 /nfs/dbraw/zinc/24/65/29/341246529.db2.gz GDSDERGNBADWIG-GOSISDBHSA-N 0 3 314.473 3.508 20 30 DHEDHN C=CCOCCCN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000548422436 341259774 /nfs/dbraw/zinc/25/97/74/341259774.db2.gz URGIVDGKJOGKCG-UHFFFAOYSA-N 0 3 315.457 3.791 20 30 DHEDHN C[C@H](CN1CCC(C#N)(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000548858593 341278439 /nfs/dbraw/zinc/27/84/39/341278439.db2.gz PLMZJUXBZOJQTB-MRXNPFEDSA-N 0 3 323.415 3.882 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000548878944 341279345 /nfs/dbraw/zinc/27/93/45/341279345.db2.gz SVEIIFBWKQUBFX-KRWDZBQOSA-N 0 3 313.445 3.507 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(C(=O)OC)c1 ZINC000550028374 341308915 /nfs/dbraw/zinc/30/89/15/341308915.db2.gz PWVMMQPOAIZXBT-UHFFFAOYSA-N 0 3 322.408 3.757 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1 ZINC000248703023 341384674 /nfs/dbraw/zinc/38/46/74/341384674.db2.gz ALIURZOVKADWSF-ISWURRPUSA-N 0 3 304.821 3.842 20 30 DHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cc(F)cc(F)c1 ZINC000090107511 341413484 /nfs/dbraw/zinc/41/34/84/341413484.db2.gz MJJFJDCXBIGCFS-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN C[C@@H](NCCOC1CCCCC1)c1ccc(OCC#N)cc1 ZINC000271888281 341625227 /nfs/dbraw/zinc/62/52/27/341625227.db2.gz RFLJQXJFMBUIHX-OAHLLOKOSA-N 0 3 302.418 3.589 20 30 DHEDHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NCc2ccc(C#N)o2)c1 ZINC000158773549 341664235 /nfs/dbraw/zinc/66/42/35/341664235.db2.gz HSSCHBPNRQFNIY-RBUKOAKNSA-N 0 3 310.397 3.940 20 30 DHEDHN COc1ccc(C2(N[C@@H]3CCc4ccc(C#N)cc43)CC2)cc1 ZINC000574085889 341748129 /nfs/dbraw/zinc/74/81/29/341748129.db2.gz IFNVLFBEPUDIIG-LJQANCHMSA-N 0 3 304.393 3.833 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000192599162 341876885 /nfs/dbraw/zinc/87/68/85/341876885.db2.gz AEZCIIOZZLTUPE-CRAIPNDOSA-N 0 3 300.446 3.540 20 30 DHEDHN CC(=O)c1ccc2c(c1)CCN([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000364137978 518413304 /nfs/dbraw/zinc/41/33/04/518413304.db2.gz WSNKFSZCCKMRKZ-HNNXBMFYSA-N 0 3 318.420 3.923 20 30 DHEDHN CC[C@@H](NCc1ccccc1-n1ccnc1)c1ccc(C#N)cc1 ZINC000364800829 522882547 /nfs/dbraw/zinc/88/25/47/522882547.db2.gz UGMDPLROIYAWRS-LJQANCHMSA-N 0 3 316.408 3.985 20 30 DHEDHN COCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000268839195 524051886 /nfs/dbraw/zinc/05/18/86/524051886.db2.gz ZBORVMQYNRHEHK-HZPDHXFCSA-N 0 3 324.424 3.995 20 30 DHEDHN C[C@H](NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc(C#N)cc1 ZINC000181388023 525383331 /nfs/dbraw/zinc/38/33/31/525383331.db2.gz HKSCEJZJRFSUTO-LIRRHRJNSA-N 0 3 311.404 3.651 20 30 DHEDHN COc1ccc2c(c1)[C@@H](NCc1cccc(C#N)c1)CCS2 ZINC000191493748 525577046 /nfs/dbraw/zinc/57/70/46/525577046.db2.gz BVZFIAMFSKPOEG-KRWDZBQOSA-N 0 3 310.422 3.894 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000185511896 526044526 /nfs/dbraw/zinc/04/45/26/526044526.db2.gz QUNOMFBGLWUGTE-MRXNPFEDSA-N 0 3 306.409 3.603 20 30 DHEDHN Cc1ccc2c(CN[C@H](C)c3ccc(C#N)cc3)ccc(O)c2n1 ZINC000338276605 526128687 /nfs/dbraw/zinc/12/86/87/526128687.db2.gz BRXRPWXCFMNQBR-CQSZACIVSA-N 0 3 317.392 3.971 20 30 DHEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]2CCCC[C@H]21 ZINC000249112577 526741973 /nfs/dbraw/zinc/74/19/73/526741973.db2.gz ODTSYAVYIRMXHK-CRAIPNDOSA-N 0 3 311.429 3.541 20 30 DHEDHN Cn1cc(CNCc2cccc(COC(C)(C)C)c2)cc1C#N ZINC000190925813 527219846 /nfs/dbraw/zinc/21/98/46/527219846.db2.gz STRZGABNGYQUEV-UHFFFAOYSA-N 0 3 311.429 3.502 20 30 DHEDHN C=CCC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819733927 607390003 /nfs/dbraw/zinc/39/00/03/607390003.db2.gz FLGVARXNYOTZQY-SFHVURJKSA-N 0 3 319.412 3.664 20 30 DHEDHN C=CCC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819733927 607390004 /nfs/dbraw/zinc/39/00/04/607390004.db2.gz FLGVARXNYOTZQY-SFHVURJKSA-N 0 3 319.412 3.664 20 30 DHEDHN C=CCC[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823898812 946505720 /nfs/dbraw/zinc/50/57/20/946505720.db2.gz CIRQWKSZYNKKQZ-AWEZNQCLSA-N 0 3 319.412 3.760 20 30 DHEDHN C=CCC[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823898812 946505728 /nfs/dbraw/zinc/50/57/28/946505728.db2.gz CIRQWKSZYNKKQZ-AWEZNQCLSA-N 0 3 319.412 3.760 20 30 DHEDHN C=CCCCCN1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001209208682 1013092081 /nfs/dbraw/zinc/09/20/81/1013092081.db2.gz XSKVGNOBLGUUHS-UHFFFAOYSA-N 0 3 321.486 3.626 20 30 DHEDHN Cc1cc(C#N)ccc1NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000846752141 1032061081 /nfs/dbraw/zinc/06/10/81/1032061081.db2.gz DLNWNLXCUKSQAT-MRXNPFEDSA-N 0 3 320.440 3.899 20 30 DHEDHN Cn1ncc(CN[C@H](CCCC#N)c2ccccc2)c1C1CC1 ZINC000894606634 1013429852 /nfs/dbraw/zinc/42/98/52/1013429852.db2.gz IYMNOPAOUIYESW-GOSISDBHSA-N 0 3 308.429 3.822 20 30 DHEDHN CC(C)c1ccccc1OCCNCc1ccc(C#N)s1 ZINC000176968254 1013692512 /nfs/dbraw/zinc/69/25/12/1013692512.db2.gz YMZRWYOJZWYQJS-UHFFFAOYSA-N 0 3 300.427 3.912 20 30 DHEDHN Cc1noc2ncc(CN[C@@H]3CCCc4cc(C#N)ccc43)cc12 ZINC000895026609 1013780871 /nfs/dbraw/zinc/78/08/71/1013780871.db2.gz XEVVGXNKHUHDGX-GOSISDBHSA-N 0 3 318.380 3.570 20 30 DHEDHN Cc1cc(C)n(-c2ccccc2CNCc2cc(C#N)cs2)n1 ZINC000152293163 1013787798 /nfs/dbraw/zinc/78/77/98/1013787798.db2.gz FPXBCVHLTHKVED-UHFFFAOYSA-N 0 3 322.437 3.712 20 30 DHEDHN C[C@@H](NC(=O)C1CCCCCC1)C(=O)NCCN1CCCCC1 ZINC000328773706 1013797479 /nfs/dbraw/zinc/79/74/79/1013797479.db2.gz KDEAJSZLQYJYED-OAHLLOKOSA-N 0 3 323.481 3.744 20 30 DHEDHN CCN1CCC[C@H](NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1 ZINC000330503174 1013821923 /nfs/dbraw/zinc/82/19/23/1013821923.db2.gz DRADUWZYPJAVSO-AWEZNQCLSA-N 0 3 320.481 3.550 20 30 DHEDHN CC[C@H]1CCCCN1CCNC(=O)c1c(C)noc1C(C)C ZINC000330732063 1013838133 /nfs/dbraw/zinc/83/81/33/1013838133.db2.gz JMDJBFPBUSLEIW-AWEZNQCLSA-N 0 3 307.438 3.676 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000106339086 1032078168 /nfs/dbraw/zinc/07/81/68/1032078168.db2.gz HWJWYGMZFZUUAC-AEFFLSMTSA-N 0 3 321.509 3.541 20 30 DHEDHN N#CC(C(=O)c1ccc(Oc2ccccc2)cn1)c1ccccn1 ZINC000580151399 1014045168 /nfs/dbraw/zinc/04/51/68/1014045168.db2.gz BADZCOYDVFYEAR-INIZCTEOSA-N 0 3 315.332 3.759 20 30 DHEDHN CCN(Cc1ccnc(N(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000782176595 1014079596 /nfs/dbraw/zinc/07/95/96/1014079596.db2.gz WQAUAGBDDMYKLN-OAHLLOKOSA-N 0 3 308.429 3.602 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN(C)CCOCc2ccccc2)cc1 ZINC000091937007 1014118403 /nfs/dbraw/zinc/11/84/03/1014118403.db2.gz CLUIMOUTSHGWQS-KRWDZBQOSA-N 0 3 324.424 3.626 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(CSC(F)F)o1 ZINC000824955241 1030679041 /nfs/dbraw/zinc/67/90/41/1030679041.db2.gz VRKGGQDGIFOGGB-OLZOCXBDSA-N 0 3 303.374 3.559 20 30 DHEDHN CCCOc1cc(CN2CCC(CCC#N)CC2)ccc1OC ZINC000581072015 1014540760 /nfs/dbraw/zinc/54/07/60/1014540760.db2.gz SFJYSRJOIIJYKG-UHFFFAOYSA-N 0 3 316.445 4.000 20 30 DHEDHN CN(C)[C@@H](C/N=C/c1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000126919067 1014633234 /nfs/dbraw/zinc/63/32/34/1014633234.db2.gz BZJSAPXVCTVSGT-UWSDUSPXSA-N 0 3 320.795 3.907 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](N)CC1CCCCC1 ZINC000521227009 1014664868 /nfs/dbraw/zinc/66/48/68/1014664868.db2.gz UQKYPOXZCWRTHI-MRXNPFEDSA-N 0 3 306.475 3.560 20 30 DHEDHN Cc1csc(C(C#N)=C([O-])c2ccc(OC3CCC3)cc2)n1 ZINC000442601050 1014703339 /nfs/dbraw/zinc/70/33/39/1014703339.db2.gz SJANNNJFGLLPHU-HNNXBMFYSA-N 0 3 312.394 3.873 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC3CCC3)cc2)n1 ZINC000442601050 1014703352 /nfs/dbraw/zinc/70/33/52/1014703352.db2.gz SJANNNJFGLLPHU-HNNXBMFYSA-N 0 3 312.394 3.873 20 30 DHEDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000521899284 1014831938 /nfs/dbraw/zinc/83/19/38/1014831938.db2.gz QKGCXKYOZFDRSK-SJCJKPOMSA-N 0 3 307.353 3.805 20 30 DHEDHN N#Cc1cc(CN(Cc2cccc(O)c2)CC2CC2)ccc1F ZINC000119373526 1014931222 /nfs/dbraw/zinc/93/12/22/1014931222.db2.gz DFIGPQNVRHQABG-UHFFFAOYSA-N 0 3 310.372 3.815 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1sccc1Br ZINC000581590167 1015022929 /nfs/dbraw/zinc/02/29/29/1015022929.db2.gz ILFGCZJNBKSCMJ-WCQGTBRESA-N 0 3 316.264 3.895 20 30 DHEDHN C=CCN(CC=C)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000114723676 1015272103 /nfs/dbraw/zinc/27/21/03/1015272103.db2.gz LLPAETDJFIJHFT-UHFFFAOYSA-N 0 3 315.392 3.791 20 30 DHEDHN COc1cc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)ccc1C#N ZINC000895788469 1015302147 /nfs/dbraw/zinc/30/21/47/1015302147.db2.gz WSKMVOXDUQHVJI-HOCLYGCPSA-N 0 3 324.346 3.731 20 30 DHEDHN C=CCC1(O)CCN(Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000895833644 1015326348 /nfs/dbraw/zinc/32/63/48/1015326348.db2.gz BOXGUWADZODZOB-UHFFFAOYSA-N 0 3 322.861 3.853 20 30 DHEDHN CCCCCCCC[C@@H](CCC)N[C@H]1C=CS(=O)(=O)C1 ZINC001173309233 1033662906 /nfs/dbraw/zinc/66/29/06/1033662906.db2.gz GKYJUSHNPRLRIA-CVEARBPZSA-N 0 3 301.496 3.806 20 30 DHEDHN C=CCC[C@H](NCC(=O)N(C(C)C)C(C)C)c1ccccc1 ZINC000341932604 1015852194 /nfs/dbraw/zinc/85/21/94/1015852194.db2.gz RGPYAQLLEIPRRS-SFHVURJKSA-N 0 3 302.462 3.929 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N(CC)CC(=C)C)c1ccccc1 ZINC000341929963 1015852245 /nfs/dbraw/zinc/85/22/45/1015852245.db2.gz OFAOHIUVIAXRCG-GOSISDBHSA-N 0 3 300.446 3.708 20 30 DHEDHN COCCOc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000610829964 1015879721 /nfs/dbraw/zinc/87/97/21/1015879721.db2.gz UNQLGJJDBWNNIB-HZPDHXFCSA-N 0 3 324.424 3.995 20 30 DHEDHN C[C@@]1(CCc2ccccc2)CCN(Cc2ccnc(C#N)c2)C1 ZINC000610994445 1016005718 /nfs/dbraw/zinc/00/57/18/1016005718.db2.gz HZISOVWJCKEPAW-HXUWFJFHSA-N 0 3 305.425 3.798 20 30 DHEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccnc(C#N)c2)C12CCCCC2 ZINC000610994030 1016005784 /nfs/dbraw/zinc/00/57/84/1016005784.db2.gz RPADLBKOBASKLH-QZTJIDSGSA-N 0 3 313.445 3.513 20 30 DHEDHN CC[C@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1Br ZINC000481376741 1034788672 /nfs/dbraw/zinc/78/86/72/1034788672.db2.gz XERHBAUKLKQOEY-ABAIWWIYSA-N 0 3 307.235 3.941 20 30 DHEDHN COc1cc(CN[C@@H]2CCSc3ccccc32)ccc1C#N ZINC000281558036 1016598758 /nfs/dbraw/zinc/59/87/58/1016598758.db2.gz BPRBNGXAGOGKCZ-MRXNPFEDSA-N 0 3 310.422 3.894 20 30 DHEDHN C=CCCn1cc(CN[C@H]2CCC[C@@H](c3ccccc3)C2)nn1 ZINC000657446809 1016852363 /nfs/dbraw/zinc/85/23/63/1016852363.db2.gz MBISJGVBFGDHHK-MSOLQXFVSA-N 0 3 310.445 3.670 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(F)(C3CC3)CC2)cc1 ZINC000896946362 1016949332 /nfs/dbraw/zinc/94/93/32/1016949332.db2.gz HVQZFGQCVHFDMG-AWEZNQCLSA-N 0 3 302.393 3.692 20 30 DHEDHN C=CCCn1cc(CN[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)nn1 ZINC000657492221 1017025838 /nfs/dbraw/zinc/02/58/38/1017025838.db2.gz AFBYQILAKXSFOO-YTQUADARSA-N 0 3 324.472 3.916 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1Cl)[C@H]1CC[C@@H](C)C1 ZINC000362170812 1032259408 /nfs/dbraw/zinc/25/94/08/1032259408.db2.gz SSRHTZDBIJSNBI-CJNGLKHVSA-N 0 3 306.837 3.849 20 30 DHEDHN CC(C)(C)[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000537624543 1032327865 /nfs/dbraw/zinc/32/78/65/1032327865.db2.gz YEWBHPBHEXMCKX-MRXNPFEDSA-N 0 3 310.445 3.854 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CN(C)Cc3ccccc32)cc1 ZINC000773105507 1032560803 /nfs/dbraw/zinc/56/08/03/1032560803.db2.gz HMVXZKPQPQNWRL-IERDGZPVSA-N 0 3 320.436 3.536 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@H](c2cccnc2)C2CC2)cc1 ZINC000773118376 1032564579 /nfs/dbraw/zinc/56/45/79/1032564579.db2.gz LQHYOWCOSAMXOQ-QRWLVFNGSA-N 0 3 306.409 3.896 20 30 DHEDHN CCCOc1c(Cl)cc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000424206083 1011944597 /nfs/dbraw/zinc/94/45/97/1011944597.db2.gz WQDNGECPJAPSKO-GXTWGEPZSA-N 0 3 322.836 3.919 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1c2ccccc2C[C@@H]1O ZINC000514901275 1012491918 /nfs/dbraw/zinc/49/19/18/1012491918.db2.gz JVROVAXWWZDWBD-QHAWAJNXSA-N 0 3 318.420 3.574 20 30 DHEDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000339764989 1012862498 /nfs/dbraw/zinc/86/24/98/1012862498.db2.gz XCKBWBBWEYZGCU-IFXJQAMLSA-N 0 3 319.408 3.707 20 30 DHEDHN COc1cccc([C@H](C/N=C\c2ccccc2O)N2CCCC2)c1 ZINC000255013540 1012887946 /nfs/dbraw/zinc/88/79/46/1012887946.db2.gz VIHYBPGACQAIDE-BJLUOBIUSA-N 0 3 324.424 3.657 20 30 DHEDHN CC[C@H]1CN(Cc2ccc(C#N)cn2)CC[C@H]1c1ccccc1 ZINC000517478593 1012993681 /nfs/dbraw/zinc/99/36/81/1012993681.db2.gz NHEHHJAAZXYDLE-FXAWDEMLSA-N 0 3 305.425 3.969 20 30 DHEDHN C=CCOc1ccccc1CNCc1ccc(N(C)C)cc1C ZINC000115629313 1032683083 /nfs/dbraw/zinc/68/30/83/1032683083.db2.gz XRJRRUICOONQED-UHFFFAOYSA-N 0 3 310.441 3.916 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N1CCCCCC1)c1ccccc1 ZINC000180034699 1017354570 /nfs/dbraw/zinc/35/45/70/1017354570.db2.gz UGHSJQCWMQOXLZ-GOSISDBHSA-N 0 3 300.446 3.686 20 30 DHEDHN C=CC[C@@H](C)N[C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000180947222 1017519045 /nfs/dbraw/zinc/51/90/45/1017519045.db2.gz JRRLHVKJYNHNMZ-NEPJUHHUSA-N 0 3 304.825 3.844 20 30 DHEDHN COc1ccccc1[C@H](C/N=C\c1ccccc1O)N1CCCC1 ZINC000255541941 1017526379 /nfs/dbraw/zinc/52/63/79/1017526379.db2.gz VHLWQKXVAAULHU-SBGXLDQMSA-N 0 3 324.424 3.657 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(COCC)cc2)cc1 ZINC000113320520 1017549926 /nfs/dbraw/zinc/54/99/26/1017549926.db2.gz XMEAEIYKEXNJSR-UHFFFAOYSA-N 0 3 309.409 3.525 20 30 DHEDHN COc1cc(CNCc2ccc3[nH]c(C)c(C)c3c2)ccc1C#N ZINC000440811242 1017915026 /nfs/dbraw/zinc/91/50/26/1017915026.db2.gz XPCCTFIJKYGGRE-UHFFFAOYSA-N 0 3 319.408 3.955 20 30 DHEDHN COc1cc(CN[C@@H](C)c2ccc(C(C)(C)O)cc2)ccc1C#N ZINC000926449153 1018008742 /nfs/dbraw/zinc/00/87/42/1018008742.db2.gz KCDKPRJADXFVIW-AWEZNQCLSA-N 0 3 324.424 3.645 20 30 DHEDHN CN(CCSc1nccc(C#N)c1Cl)Cc1ccccc1 ZINC000343086019 1018136569 /nfs/dbraw/zinc/13/65/69/1018136569.db2.gz RQHYTTKUMXMUQX-UHFFFAOYSA-N 0 3 317.845 3.831 20 30 DHEDHN CCCCN(CC)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764136498 1018168374 /nfs/dbraw/zinc/16/83/74/1018168374.db2.gz ZQVVEOQYIRTTRN-QGZVFWFLSA-N 0 3 315.461 3.752 20 30 DHEDHN COc1cc(CN[C@@H](C)c2ccc(C#N)cc2)c2ccccc2n1 ZINC000174253556 1018405844 /nfs/dbraw/zinc/40/58/44/1018405844.db2.gz QRHAUBCZTNSQFK-AWEZNQCLSA-N 0 3 317.392 3.966 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000174436290 1018427999 /nfs/dbraw/zinc/42/79/99/1018427999.db2.gz PZMYULAJHQDPQV-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN CC[C@H](NCc1ccc(OCCOC)cc1)c1ccc(C#N)cc1 ZINC000278292623 1018524372 /nfs/dbraw/zinc/52/43/72/1018524372.db2.gz RAVTZUONBFFKTQ-FQEVSTJZSA-N 0 3 324.424 3.824 20 30 DHEDHN CC(C)CCOCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000564416120 1018591191 /nfs/dbraw/zinc/59/11/91/1018591191.db2.gz YJRDUFWNKIIDEB-UHFFFAOYSA-N 0 3 314.351 3.729 20 30 DHEDHN C=CC(C)(C)CN[C@H](C)c1nc(Br)ccc1F ZINC000926523215 1018642586 /nfs/dbraw/zinc/64/25/86/1018642586.db2.gz VPMKBKNRFJJMRK-SECBINFHSA-N 0 3 301.203 3.846 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246919030 1018683275 /nfs/dbraw/zinc/68/32/75/1018683275.db2.gz WEPIUCYRCQHFDB-RDJZCZTQSA-N 0 3 323.358 3.558 20 30 DHEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611804870 1018929231 /nfs/dbraw/zinc/92/92/31/1018929231.db2.gz GHZJGNGRCQLCJB-QRWLVFNGSA-N 0 3 306.409 3.813 20 30 DHEDHN C#CCC1(NCc2nccn2Cc2ccccc2)CCCCC1 ZINC000922981628 1018963761 /nfs/dbraw/zinc/96/37/61/1018963761.db2.gz RLMIJLKOABDDIR-UHFFFAOYSA-N 0 3 307.441 3.747 20 30 DHEDHN CC[C@@H]1CCCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075765762 1019048461 /nfs/dbraw/zinc/04/84/61/1019048461.db2.gz COTUZCYJLVNIAP-MRXNPFEDSA-N 0 3 310.401 3.763 20 30 DHEDHN COc1ccc(C)cc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000161562613 1019277352 /nfs/dbraw/zinc/27/73/52/1019277352.db2.gz CBSMWMWXTVZMGK-OAHLLOKOSA-N 0 3 310.397 3.605 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(C(C)(C)O)cc1 ZINC000922009116 1019298308 /nfs/dbraw/zinc/29/83/08/1019298308.db2.gz AVGDDHWFTXZSOC-UHFFFAOYSA-N 0 3 308.425 3.692 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc([N+](=O)[O-])c1C ZINC000922048587 1019363059 /nfs/dbraw/zinc/36/30/59/1019363059.db2.gz IOWMGYWIRVSLAL-UHFFFAOYSA-N 0 3 309.369 3.682 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000922072434 1019397457 /nfs/dbraw/zinc/39/74/57/1019397457.db2.gz IONLVAWAKDBMEC-IBGZPJMESA-N 0 3 304.393 3.660 20 30 DHEDHN CC[C@H](CN1CCCC1)Nc1ccc(C#N)cc1Br ZINC000611182227 1019407394 /nfs/dbraw/zinc/40/73/94/1019407394.db2.gz ULKAVXWQYLVTJS-CYBMUJFWSA-N 0 3 322.250 3.607 20 30 DHEDHN CCSc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000289940553 1019496502 /nfs/dbraw/zinc/49/65/02/1019496502.db2.gz WTYBZIGOBZRGKR-UHFFFAOYSA-N 0 3 312.438 3.969 20 30 DHEDHN CC(C)(CC#N)CN[C@@H]1CCCc2ncc(Br)cc21 ZINC000926569318 1019531166 /nfs/dbraw/zinc/53/11/66/1019531166.db2.gz QNEYKLLEIYTZOC-CQSZACIVSA-N 0 3 322.250 3.751 20 30 DHEDHN CN(C)[C@@H](CNc1nc(Cl)c(C#N)s1)c1cccc(F)c1 ZINC000278777848 1019770843 /nfs/dbraw/zinc/77/08/43/1019770843.db2.gz VOISXEFWNABDAT-NSHDSACASA-N 0 3 324.812 3.522 20 30 DHEDHN COCc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000179203909 1019853159 /nfs/dbraw/zinc/85/31/59/1019853159.db2.gz POGZZIPINFYPMJ-UHFFFAOYSA-N 0 3 306.409 3.869 20 30 DHEDHN C=CCN1CCC(NC(=S)Nc2cccc(Cl)c2C)CC1 ZINC000729942997 1019926311 /nfs/dbraw/zinc/92/63/11/1019926311.db2.gz WMZZHPFGOMZCCQ-UHFFFAOYSA-N 0 3 323.893 3.585 20 30 DHEDHN N#Cc1ccc2c(c1)CN([C@@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168721284 1019970567 /nfs/dbraw/zinc/97/05/67/1019970567.db2.gz NXHNZVFSXUAEOI-QGZVFWFLSA-N 0 3 308.812 3.737 20 30 DHEDHN N#Cc1cccc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC000731039667 1020056886 /nfs/dbraw/zinc/05/68/86/1020056886.db2.gz YLNREPBBOILZBY-FQEVSTJZSA-N 0 3 324.399 3.643 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000922702290 1020227996 /nfs/dbraw/zinc/22/79/96/1020227996.db2.gz JQRKFBPGDFYQCE-LSDHHAIUSA-N 0 3 322.408 3.591 20 30 DHEDHN COc1ccc(CNCc2ccc(C)c(C#N)c2)cc1OC1CC1 ZINC000922760309 1020252694 /nfs/dbraw/zinc/25/26/94/1020252694.db2.gz SHRXQHDPALIVPD-UHFFFAOYSA-N 0 3 322.408 3.706 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000179376209 1020331317 /nfs/dbraw/zinc/33/13/17/1020331317.db2.gz QTZACPFSDWQBKZ-ZIAGYGMSSA-N 0 3 309.413 3.966 20 30 DHEDHN C#CCN(CC(C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733197499 1020343178 /nfs/dbraw/zinc/34/31/78/1020343178.db2.gz RELFZRRPDNUMPL-OAHLLOKOSA-N 0 3 322.246 3.864 20 30 DHEDHN C#CCOc1ccc(CNCc2cccc(OCCC)c2)cc1 ZINC000733324752 1020372045 /nfs/dbraw/zinc/37/20/45/1020372045.db2.gz ASYWWFILIBRSCX-UHFFFAOYSA-N 0 3 309.409 3.777 20 30 DHEDHN C=CC[C@@H](CO)N[C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000186688488 1020391572 /nfs/dbraw/zinc/39/15/72/1020391572.db2.gz VAPWEKHJDQBGFJ-WPRPVWTQSA-N 0 3 306.258 3.959 20 30 DHEDHN COc1ccc([C@H]2C[C@@H](NC3(CC#N)CCCC3)CCO2)cc1 ZINC001168629159 1020404718 /nfs/dbraw/zinc/40/47/18/1020404718.db2.gz IFNKREWPFJWVRO-FUHWJXTLSA-N 0 3 314.429 3.731 20 30 DHEDHN C=CC[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccncc1 ZINC000766019581 1020447814 /nfs/dbraw/zinc/44/78/14/1020447814.db2.gz MOTONKQJPDGNPL-SDYXESRWSA-N 0 3 314.454 3.787 20 30 DHEDHN C=CC[C@@H]1CCCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC001171840550 1032904464 /nfs/dbraw/zinc/90/44/64/1032904464.db2.gz FDCFMMXMEABOSN-RHSMWYFYSA-N 0 3 318.848 3.733 20 30 DHEDHN C[C@@H]1CCC[C@@H](N(C)Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075637868 1020495782 /nfs/dbraw/zinc/49/57/82/1020495782.db2.gz IXGDIKLLLNUCAD-CZUORRHYSA-N 0 3 310.401 3.619 20 30 DHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000303593533 1020585593 /nfs/dbraw/zinc/58/55/93/1020585593.db2.gz SSXVMPMNNGYZTE-OXJNMPFZSA-N 0 3 323.440 3.708 20 30 DHEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1Cl ZINC000163875125 1020622401 /nfs/dbraw/zinc/62/24/01/1020622401.db2.gz KYTOGHVZNKXBRF-BBRMVZONSA-N 0 3 306.837 3.727 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3ccsc3)nc21 ZINC000739189825 1020900758 /nfs/dbraw/zinc/90/07/58/1020900758.db2.gz GZWMAOFNSLKRDG-AAEUAGOBSA-N 0 3 309.394 3.913 20 30 DHEDHN COc1ccc(CNCc2cc3c(s2)CCCC3)cc1C#N ZINC000742369173 1021107774 /nfs/dbraw/zinc/10/77/74/1021107774.db2.gz NMXCGZZWYADXEP-UHFFFAOYSA-N 0 3 312.438 3.797 20 30 DHEDHN C#CCCCNCc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000742385163 1021109588 /nfs/dbraw/zinc/10/95/88/1021109588.db2.gz XVWZBSCOBBRDPF-UHFFFAOYSA-N 0 3 315.848 3.954 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc(COC)c2)c1 ZINC000742371023 1021113169 /nfs/dbraw/zinc/11/31/69/1021113169.db2.gz FWAZHVQWWRTNKE-LJQANCHMSA-N 0 3 324.424 3.804 20 30 DHEDHN C=CCCC1(CNC(=O)Nc2ccc3c(c2)CNC3)CCCC1 ZINC000659021624 1021114815 /nfs/dbraw/zinc/11/48/15/1021114815.db2.gz HGPNOSYPFNVWPB-UHFFFAOYSA-N 0 3 313.445 3.938 20 30 DHEDHN C[C@H](NCc1ccc(Cn2ccnc2)cc1)c1ccc(C#N)cc1 ZINC000181479661 1021200219 /nfs/dbraw/zinc/20/02/19/1021200219.db2.gz XWTHZAGKERSABZ-INIZCTEOSA-N 0 3 316.408 3.654 20 30 DHEDHN C[C@H](Cc1ccc(Br)c(F)c1)NCC(C)(C)C#N ZINC000613540240 1021201131 /nfs/dbraw/zinc/20/11/31/1021201131.db2.gz FUFFDFHVYBFZTF-SNVBAGLBSA-N 0 3 313.214 3.659 20 30 DHEDHN CN(Cc1ccccc1)Cc1cccc(C(=O)OCCCC#N)c1 ZINC000181662202 1021303223 /nfs/dbraw/zinc/30/32/23/1021303223.db2.gz VJBDJBPCEGBQBV-UHFFFAOYSA-N 0 3 322.408 3.779 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000743497396 1021306578 /nfs/dbraw/zinc/30/65/78/1021306578.db2.gz YCZAAQCRLUYQNS-HUUCEWRRSA-N 0 3 305.381 3.700 20 30 DHEDHN CC[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000618571848 1021434621 /nfs/dbraw/zinc/43/46/21/1021434621.db2.gz BTGDAZXKONMWGW-XMSQKQJNSA-N 0 3 312.438 3.537 20 30 DHEDHN Cc1cc(CN2CC[C@H](Oc3cccc(F)c3)C2)ccc1C#N ZINC000618606676 1021437423 /nfs/dbraw/zinc/43/74/23/1021437423.db2.gz VXJVTCAJDYTVQH-IBGZPJMESA-N 0 3 310.372 3.659 20 30 DHEDHN CC[C@H](CC#N)N[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172086524 1032985548 /nfs/dbraw/zinc/98/55/48/1032985548.db2.gz CHGBSMPFHDHTSP-LVQVYYBASA-N 0 3 321.465 3.589 20 30 DHEDHN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)c(C)c1OC ZINC000850356233 1021486367 /nfs/dbraw/zinc/48/63/67/1021486367.db2.gz OBDCWEBPFUDIBS-UHFFFAOYSA-N 0 3 324.424 3.909 20 30 DHEDHN CC(C)(C#N)c1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850373609 1021496725 /nfs/dbraw/zinc/49/67/25/1021496725.db2.gz ICKKFKMRRXNQSG-RBUKOAKNSA-N 0 3 306.409 3.756 20 30 DHEDHN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1Cl ZINC000618743172 1021503664 /nfs/dbraw/zinc/50/36/64/1021503664.db2.gz YZSCHRJDKDNBGP-KRWDZBQOSA-N 0 3 312.800 3.997 20 30 DHEDHN COc1cccc(C2(NCc3ccc(OC)c(C#N)c3)CCC2)c1 ZINC000850404978 1021514095 /nfs/dbraw/zinc/51/40/95/1021514095.db2.gz HAVVXNUSFDTVPN-UHFFFAOYSA-N 0 3 322.408 3.744 20 30 DHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCO2 ZINC000618803883 1021532539 /nfs/dbraw/zinc/53/25/39/1021532539.db2.gz JADOSMFBVFUQPC-YVEFUNNKSA-N 0 3 306.365 3.625 20 30 DHEDHN CC1(C)CN(C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000763568379 1021742068 /nfs/dbraw/zinc/74/20/68/1021742068.db2.gz XNDMZGQKHNROOO-MOPGFXCFSA-N 0 3 306.409 3.675 20 30 DHEDHN Cc1ccccc1[C@@H](CO)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508452 1021772187 /nfs/dbraw/zinc/77/21/87/1021772187.db2.gz YNHPLZRLLYUQTD-NHCUHLMSSA-N 0 3 320.436 3.957 20 30 DHEDHN N#CCC1(CN[C@H]2CCOc3c(Br)cccc32)CC1 ZINC000619535250 1021787890 /nfs/dbraw/zinc/78/78/90/1021787890.db2.gz LPDVBLDOFRARJA-ZDUSSCGKSA-N 0 3 321.218 3.556 20 30 DHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415582100 1021823144 /nfs/dbraw/zinc/82/31/44/1021823144.db2.gz OLFRUOVXQLGUTH-HUUCEWRRSA-N 0 3 315.461 3.753 20 30 DHEDHN CCOc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000728711831 1021880846 /nfs/dbraw/zinc/88/08/46/1021880846.db2.gz LZWPOIZJOKRUAY-HNNXBMFYSA-N 0 3 310.397 3.666 20 30 DHEDHN COCc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619749055 1021886593 /nfs/dbraw/zinc/88/65/93/1021886593.db2.gz YSEHZTKKYLJTSE-UHFFFAOYSA-N 0 3 300.789 3.648 20 30 DHEDHN C[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1ccc(C#N)cc1F ZINC000619781270 1021893118 /nfs/dbraw/zinc/89/31/18/1021893118.db2.gz HTFPNGQMAQIPBA-UKRRQHHQSA-N 0 3 302.393 3.840 20 30 DHEDHN COCCCOc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000195204844 1022000710 /nfs/dbraw/zinc/00/07/10/1022000710.db2.gz HKNYUCKZZBNOAJ-MRXNPFEDSA-N 0 3 324.424 3.824 20 30 DHEDHN N#Cc1ccc(CN2CCC(OCCc3ccccc3)CC2)cc1 ZINC000195214823 1022009705 /nfs/dbraw/zinc/00/97/05/1022009705.db2.gz UOIVBTYSGMPBBQ-UHFFFAOYSA-N 0 3 320.436 3.782 20 30 DHEDHN C=CCC1(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CCC1 ZINC000348450015 1033022329 /nfs/dbraw/zinc/02/23/29/1033022329.db2.gz BIRUHCZMJLSWGQ-NVXWUHKLSA-N 0 3 300.446 3.540 20 30 DHEDHN CCCCCCCCN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000746472473 1022124984 /nfs/dbraw/zinc/12/49/84/1022124984.db2.gz QFVXNTXAIQOAMC-HOTGVXAUSA-N 0 3 303.512 3.635 20 30 DHEDHN C[C@H](c1ccncc1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000609539613 1022299315 /nfs/dbraw/zinc/29/93/15/1022299315.db2.gz QAPAOCKDQAOTAU-OAHLLOKOSA-N 0 3 307.397 3.558 20 30 DHEDHN C#CCCCN[C@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000766723793 1022425341 /nfs/dbraw/zinc/42/53/41/1022425341.db2.gz FJGDSZQATKIRCG-HXUWFJFHSA-N 0 3 309.409 3.796 20 30 DHEDHN N=C(N[C@H]1CSc2ccccc2C1)c1ccc2ccccc2n1 ZINC001172196237 1033057719 /nfs/dbraw/zinc/05/77/19/1033057719.db2.gz JBYUQTAGGGXINH-OAHLLOKOSA-N 0 3 319.433 3.657 20 30 DHEDHN N#CC(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccccn1 ZINC000103329831 1022505512 /nfs/dbraw/zinc/50/55/12/1022505512.db2.gz ZUUVYJQRNUMYDS-ZIAGYGMSSA-N 0 3 318.298 3.994 20 30 DHEDHN C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2ncccc2[O-])cc1 ZINC001169736266 1022527955 /nfs/dbraw/zinc/52/79/55/1022527955.db2.gz FZQXYAVFGSWAOE-SFHVURJKSA-N 0 3 309.413 3.722 20 30 DHEDHN C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ncccc2[O-])cc1 ZINC001169736266 1022527967 /nfs/dbraw/zinc/52/79/67/1022527967.db2.gz FZQXYAVFGSWAOE-SFHVURJKSA-N 0 3 309.413 3.722 20 30 DHEDHN CN(C)/C=N/c1ccc(N[C@@H]2C[C@H]2c2ccccc2)cc1C#N ZINC001169812744 1022553689 /nfs/dbraw/zinc/55/36/89/1022553689.db2.gz PGUQQXVATOZASS-XSXYYHOOSA-N 0 3 304.397 3.748 20 30 DHEDHN CC1CC(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC001169901806 1022582529 /nfs/dbraw/zinc/58/25/29/1022582529.db2.gz ZWJFLNYGDXWYTL-JMLCCBQJSA-N 0 3 317.864 3.568 20 30 DHEDHN CC(C)(CCC#N)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000158571355 1022643130 /nfs/dbraw/zinc/64/31/30/1022643130.db2.gz ABVFLIRHFZQOOL-UHFFFAOYSA-N 0 3 305.853 3.792 20 30 DHEDHN Cc1c(CN[C@@H]2CCCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000616357438 1022700651 /nfs/dbraw/zinc/70/06/51/1022700651.db2.gz FSRHMUUHEORCPI-GOSISDBHSA-N 0 3 321.380 3.942 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000068706619 1022722994 /nfs/dbraw/zinc/72/29/94/1022722994.db2.gz SDXRVRWEFVBLNP-OAHLLOKOSA-N 0 3 319.408 3.536 20 30 DHEDHN Cc1ccc([C@@H](O)CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000767740677 1022795552 /nfs/dbraw/zinc/79/55/52/1022795552.db2.gz LQCTUXXZIZDRTC-NRFANRHFSA-N 0 3 318.420 3.689 20 30 DHEDHN C=CCC[C@@H](C(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617008764 1022826568 /nfs/dbraw/zinc/82/65/68/1022826568.db2.gz LOCKHAZSKACMGW-ZWKOTPCHSA-N 0 3 314.473 3.725 20 30 DHEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000617039515 1022834746 /nfs/dbraw/zinc/83/47/46/1022834746.db2.gz ILDCIOTWSYMGNV-FUHWJXTLSA-N 0 3 300.446 3.613 20 30 DHEDHN C#CCCOc1ccc(CN(C)Cc2ccc(OC)cc2)cc1 ZINC000768159639 1022906910 /nfs/dbraw/zinc/90/69/10/1022906910.db2.gz FPHSOJNRDAIQJO-UHFFFAOYSA-N 0 3 309.409 3.729 20 30 DHEDHN C#CC[C@@H](N[C@@H]1CCN(C(C)=O)c2ccccc21)c1ccccc1 ZINC000857075903 1022945391 /nfs/dbraw/zinc/94/53/91/1022945391.db2.gz KREASRSMRMVETE-WOJBJXKFSA-N 0 3 318.420 3.839 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1c(F)ccc(F)c1F ZINC001172290504 1033095912 /nfs/dbraw/zinc/09/59/12/1033095912.db2.gz QLERQGHGUQWENE-LLVKDONJSA-N 0 3 304.315 3.696 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cnc(Cl)cc1Cl ZINC001172298973 1033104141 /nfs/dbraw/zinc/10/41/41/1033104141.db2.gz FFLWGEDMRUBBCP-NSHDSACASA-N 0 3 320.223 3.981 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1cccs1)C(CC)CC ZINC000876614800 1033105769 /nfs/dbraw/zinc/10/57/69/1033105769.db2.gz PFGCOEVBSUXSDF-JSGCOSHPSA-N 0 3 314.882 3.812 20 30 DHEDHN COc1ccc(C[C@H](C)CN(CCC#N)CC(C)C)cc1F ZINC000769436561 1023148495 /nfs/dbraw/zinc/14/84/95/1023148495.db2.gz OKAQBNSCINBFMP-HNNXBMFYSA-N 0 3 306.425 3.885 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000876667620 1033116901 /nfs/dbraw/zinc/11/69/01/1033116901.db2.gz JFALZLFYKWEECW-KBPBESRZSA-N 0 3 315.244 3.623 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000876672471 1033121133 /nfs/dbraw/zinc/12/11/33/1033121133.db2.gz DJDGFQJUIKIBKE-JQFCIGGWSA-N 0 3 320.864 3.765 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccc1C)C(C)(C)C ZINC000876687306 1033122340 /nfs/dbraw/zinc/12/23/40/1033122340.db2.gz NICUNELNVVLWPM-CABCVRRESA-N 0 3 308.853 3.668 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000771519832 1023448271 /nfs/dbraw/zinc/44/82/71/1023448271.db2.gz IUXPCEYOMXBMTR-CARGHONOSA-N 0 3 318.461 3.861 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000771519837 1023448539 /nfs/dbraw/zinc/44/85/39/1023448539.db2.gz IUXPCEYOMXBMTR-ZRBNADBSSA-N 0 3 318.461 3.861 20 30 DHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(-c2cc(C)ccn2)no1 ZINC000661114425 1023483665 /nfs/dbraw/zinc/48/36/65/1023483665.db2.gz HDGQIHVTVXCJGA-CABCVRRESA-N 0 3 312.417 3.665 20 30 DHEDHN C=CC[C@H]1CC[C@H](NCc2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000651749862 1023514679 /nfs/dbraw/zinc/51/46/79/1023514679.db2.gz LVGGSBHFLNMGPF-AAEUAGOBSA-N 0 3 324.350 3.583 20 30 DHEDHN C=CC[C@@H]1CC[C@H](N[C@H](c2cnn(C)c2)c2ccc(F)cc2)C1 ZINC000651766202 1023528913 /nfs/dbraw/zinc/52/89/13/1023528913.db2.gz ZKKQHXXZICOBOO-CCKFTAQKSA-N 0 3 313.420 3.983 20 30 DHEDHN C=CCCCCCN1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000785722569 1023609982 /nfs/dbraw/zinc/60/99/82/1023609982.db2.gz WFFQRMMPTOLMTR-GOSISDBHSA-N 0 3 316.445 3.845 20 30 DHEDHN C#CCOc1ccccc1CN[C@H](C)[C@@H](OC)c1ccccc1 ZINC000786863270 1023732603 /nfs/dbraw/zinc/73/26/03/1023732603.db2.gz ZXWYFAPGYYSLJO-OXQOHEQNSA-N 0 3 309.409 3.564 20 30 DHEDHN C=CCN(Cc1cccs1)C[C@H](O)c1ccc(F)cc1C ZINC000746655785 1023766376 /nfs/dbraw/zinc/76/63/76/1023766376.db2.gz YMAUOOVYLWNSGS-KRWDZBQOSA-N 0 3 305.418 3.917 20 30 DHEDHN C=CCC1(NCc2nc3sc(C)c(C)c3c(N)n2)CCCC1 ZINC000661852071 1023778960 /nfs/dbraw/zinc/77/89/60/1023778960.db2.gz JITWTPDSYUAWND-UHFFFAOYSA-N 0 3 316.474 3.869 20 30 DHEDHN Clc1ccc(C#CCN2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000661873199 1023791786 /nfs/dbraw/zinc/79/17/86/1023791786.db2.gz FNZOOKOLVVVAFJ-PKOBYXMFSA-N 0 3 317.860 3.973 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000662081170 1023887273 /nfs/dbraw/zinc/88/72/73/1023887273.db2.gz UQJGECVHVXENPY-JZXOWHBKSA-N 0 3 314.429 3.595 20 30 DHEDHN C#CCC1(C(=O)Nc2cc(C)cc(CN(C)C)c2)CCCCC1 ZINC000788522293 1023900740 /nfs/dbraw/zinc/90/07/40/1023900740.db2.gz XQDQLQPLLATDEO-UHFFFAOYSA-N 0 3 312.457 3.969 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000876899110 1033179427 /nfs/dbraw/zinc/17/94/27/1033179427.db2.gz GNJBCGDLYHTGOK-HOTGVXAUSA-N 0 3 306.837 3.504 20 30 DHEDHN C=CCCCN(C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789327022 1024048619 /nfs/dbraw/zinc/04/86/19/1024048619.db2.gz OXCSXGHZNQRCII-KRWDZBQOSA-N 0 3 300.446 3.615 20 30 DHEDHN CSC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CC1 ZINC000789369533 1024063480 /nfs/dbraw/zinc/06/34/80/1024063480.db2.gz SSYJATLPNVODFJ-VIFPVBQESA-N 0 3 306.387 3.507 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000876941116 1033186290 /nfs/dbraw/zinc/18/62/90/1033186290.db2.gz IBMDNTGYEBTGMV-IRXDYDNUSA-N 0 3 320.864 3.943 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCC2(c3ccc(F)cc3)CC2)c1 ZINC000876938812 1033186823 /nfs/dbraw/zinc/18/68/23/1033186823.db2.gz AEOLURKXYSKNMH-UHFFFAOYSA-N 0 3 315.779 3.567 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000268633909 1024134484 /nfs/dbraw/zinc/13/44/84/1024134484.db2.gz LARKJLINJFTOLU-UKRRQHHQSA-N 0 3 302.443 3.760 20 30 DHEDHN CCOc1cc2c(cc1OCC)CN(C[C@H](C)CCC#N)CC2 ZINC000602437278 1024135214 /nfs/dbraw/zinc/13/52/14/1024135214.db2.gz STWFIXZBVFUSAQ-OAHLLOKOSA-N 0 3 316.445 3.782 20 30 DHEDHN Cn1ccnc1NN=C1CCCc2c(Cl)sc(Cl)c21 ZINC000790299607 1024275898 /nfs/dbraw/zinc/27/58/98/1024275898.db2.gz GBLOAGKRMJVICS-UHFFFAOYSA-N 0 3 315.229 3.941 20 30 DHEDHN C=CCC[C@H](N[C@@H]1CCCc2cn(C(C)C)nc21)[C@@H]1CCCO1 ZINC000883216504 1024294951 /nfs/dbraw/zinc/29/49/51/1024294951.db2.gz RDMDCSKHHFSGHA-KSZLIROESA-N 0 3 317.477 3.945 20 30 DHEDHN CCSc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000883235808 1024306416 /nfs/dbraw/zinc/30/64/16/1024306416.db2.gz LDWSKPXGJQCRDB-UHFFFAOYSA-N 0 3 312.438 3.969 20 30 DHEDHN C=CCC[C@@H](NC[C@@H]1CCC2(CCOCC2)CO1)c1ccco1 ZINC000883263345 1024336952 /nfs/dbraw/zinc/33/69/52/1024336952.db2.gz QDHXIMRXTMPXLP-DLBZAZTESA-N 0 3 319.445 3.852 20 30 DHEDHN COc1cccc2c1OCCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000883331202 1024386251 /nfs/dbraw/zinc/38/62/51/1024386251.db2.gz UDOYKTNVRHTRTJ-DZKIICNBSA-N 0 3 300.402 3.581 20 30 DHEDHN C=C(C)[C@@H](N[C@@H](C)Cc1cnccn1)c1ccc(F)c(F)c1 ZINC000453197034 1024394809 /nfs/dbraw/zinc/39/48/09/1024394809.db2.gz MZZNZTXNHVAETO-YVEFUNNKSA-N 0 3 303.356 3.593 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(OC)c(Cl)c2)cc1 ZINC000132312583 1024470813 /nfs/dbraw/zinc/47/08/13/1024470813.db2.gz WADQMKPGDJZFQC-UHFFFAOYSA-N 0 3 315.800 3.650 20 30 DHEDHN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000584695194 1024487743 /nfs/dbraw/zinc/48/77/43/1024487743.db2.gz YKFUMOXQFZVVJW-MOPGFXCFSA-N 0 3 320.440 3.726 20 30 DHEDHN CCOCCOc1cc(C)ccc1CN[C@H](C)CC(C)(C)C#N ZINC000925251393 1024524569 /nfs/dbraw/zinc/52/45/69/1024524569.db2.gz WVLLBOKCDJUYLH-MRXNPFEDSA-N 0 3 318.461 3.828 20 30 DHEDHN Cc1c([C@@H](C)NCC(C)(C)CCC#N)nnn1-c1ccccc1 ZINC000348243746 1024541443 /nfs/dbraw/zinc/54/14/43/1024541443.db2.gz MQWMWEVWPQZNED-CQSZACIVSA-N 0 3 311.433 3.556 20 30 DHEDHN C[C@@H](CCCC#N)NCC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC001172489765 1033223550 /nfs/dbraw/zinc/22/35/50/1033223550.db2.gz ZKUPLTHEDXMGRO-JTQLQIEISA-N 0 3 316.298 3.699 20 30 DHEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)Sc1ccccc1 ZINC000877070776 1033226976 /nfs/dbraw/zinc/22/69/76/1033226976.db2.gz VTRWEGCTZMPKLE-LBPRGKRZSA-N 0 3 317.845 3.877 20 30 DHEDHN CN(CC(=O)Nc1ccccc1SCC#N)C1CCCCC1 ZINC000007786441 1024661632 /nfs/dbraw/zinc/66/16/32/1024661632.db2.gz CNCQWJHGLRKWCY-UHFFFAOYSA-N 0 3 317.458 3.505 20 30 DHEDHN C=CCC1(O)CCN(Cc2ccc(OC)c(C(C)(C)C)c2)CC1 ZINC001207595355 1024684450 /nfs/dbraw/zinc/68/44/50/1024684450.db2.gz YNVGQONGXGMWBM-UHFFFAOYSA-N 0 3 317.473 3.896 20 30 DHEDHN C#C[C@H]1CC[C@H](N[C@H](C)c2nc(Br)cs2)CC1 ZINC000872139112 1024698322 /nfs/dbraw/zinc/69/83/22/1024698322.db2.gz GGLXOEXKCIAVCT-GMTAPVOTSA-N 0 3 313.264 3.748 20 30 DHEDHN CCS[C@@H]1CCCC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877079459 1033232361 /nfs/dbraw/zinc/23/23/61/1033232361.db2.gz ZCZBISSPNRSDMS-UONOGXRCSA-N 0 3 309.866 3.761 20 30 DHEDHN N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001170361795 1024752389 /nfs/dbraw/zinc/75/23/89/1024752389.db2.gz GMSBLFWDQPXYIR-UHFFFAOYSA-N 0 3 322.408 3.592 20 30 DHEDHN CC(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000349822708 1024756846 /nfs/dbraw/zinc/75/68/46/1024756846.db2.gz QOBULFHYPLBEOL-NVXWUHKLSA-N 0 3 308.429 3.778 20 30 DHEDHN N#Cc1ccc(CN(Cc2cccc3c[nH]nc32)C2CC2)cc1 ZINC000349910731 1024767364 /nfs/dbraw/zinc/76/73/64/1024767364.db2.gz IJMSKNKJLPEDCO-UHFFFAOYSA-N 0 3 302.381 3.599 20 30 DHEDHN N#Cc1cccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000349969400 1024776397 /nfs/dbraw/zinc/77/63/97/1024776397.db2.gz XABYLEBOERLZJI-UHFFFAOYSA-N 0 3 314.392 3.724 20 30 DHEDHN C[C@@H](CCCC#N)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC001172507267 1033234254 /nfs/dbraw/zinc/23/42/54/1033234254.db2.gz RNGGFJRPFFZNNF-HNNXBMFYSA-N 0 3 312.413 3.569 20 30 DHEDHN N#CC1CCN(Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC001142388526 1024850788 /nfs/dbraw/zinc/85/07/88/1024850788.db2.gz YVIYDTIRYLFAOX-UHFFFAOYSA-N 0 3 318.218 3.666 20 30 DHEDHN CC(=NN[C@@H](C)C(C)(C)C)c1ccc(N2CCCC2)cc1O ZINC000793115856 1024901412 /nfs/dbraw/zinc/90/14/12/1024901412.db2.gz PQIHWOJKAGOLRQ-AWEZNQCLSA-N 0 3 303.450 3.741 20 30 DHEDHN CN(C)[C@H](C/N=C/c1cc(Cl)ccc1O)c1cccs1 ZINC000005290697 1025030157 /nfs/dbraw/zinc/03/01/57/1025030157.db2.gz VFWYJWICIKKSCB-LFMVTYOGSA-N 0 3 308.834 3.829 20 30 DHEDHN N#Cc1ccc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)s1 ZINC000120790804 1025053600 /nfs/dbraw/zinc/05/36/00/1025053600.db2.gz GNQHQECGGKBIJG-KDOFPFPSSA-N 0 3 312.438 3.877 20 30 DHEDHN COc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000121022119 1025069798 /nfs/dbraw/zinc/06/97/98/1025069798.db2.gz NPBCLZMZUMPLLG-INIZCTEOSA-N 0 3 322.408 3.565 20 30 DHEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(Br)cc1F ZINC000320214100 1025102328 /nfs/dbraw/zinc/10/23/28/1025102328.db2.gz FWASXNGRUCCXDA-CMPLNLGQSA-N 0 3 316.214 3.566 20 30 DHEDHN CC(C)C(CN1CCO[C@@H](c2cccc(C#N)c2)C1)C(C)C ZINC000793586408 1025116472 /nfs/dbraw/zinc/11/64/72/1025116472.db2.gz DOFGMIOQKOTNRW-LJQANCHMSA-N 0 3 300.446 3.860 20 30 DHEDHN N#Cc1cccc(NC(=O)CN[C@@H](c2ccccc2)C2CCC2)c1 ZINC000104700842 1025256169 /nfs/dbraw/zinc/25/61/69/1025256169.db2.gz HMQHVONHIGLCLH-FQEVSTJZSA-N 0 3 319.408 3.628 20 30 DHEDHN COC(=O)c1cc(C#N)cc(C)c1Nc1ccc2nc(C)[nH]c2c1 ZINC001213077044 1025370390 /nfs/dbraw/zinc/37/03/90/1025370390.db2.gz BXXNXSXLNGFQIX-UHFFFAOYSA-N 0 3 320.352 3.582 20 30 DHEDHN Cc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3s2)c(=O)[nH]1 ZINC000354221256 1025385213 /nfs/dbraw/zinc/38/52/13/1025385213.db2.gz SEBCYTNCAWNJSN-LLVKDONJSA-N 0 3 323.377 3.504 20 30 DHEDHN Cc1cc(C)c(C(=O)C(C#N)c2nc3ccccc3s2)c(=O)[nH]1 ZINC000354221256 1025385230 /nfs/dbraw/zinc/38/52/30/1025385230.db2.gz SEBCYTNCAWNJSN-LLVKDONJSA-N 0 3 323.377 3.504 20 30 DHEDHN COc1cc(C#N)ccc1OCCN1CCc2ccccc2[C@@H]1C ZINC000354377374 1025417462 /nfs/dbraw/zinc/41/74/62/1025417462.db2.gz BPKHPVQKYKINSY-HNNXBMFYSA-N 0 3 322.408 3.565 20 30 DHEDHN C=CCCCCCCN1CCCC[C@]12CC(=O)N(CC=C)C2 ZINC001275329044 1025438237 /nfs/dbraw/zinc/43/82/37/1025438237.db2.gz KQFBMYXOHXPKIN-LJQANCHMSA-N 0 3 304.478 3.766 20 30 DHEDHN CN(C)[C@H]1CCOc2c(Nc3ccccc3OCC#N)cccc21 ZINC001212603670 1025467110 /nfs/dbraw/zinc/46/71/10/1025467110.db2.gz LLTWTZTUFVWENB-KRWDZBQOSA-N 0 3 323.396 3.718 20 30 DHEDHN N#CC(C(=O)c1ccc2ccccc2n1)c1nc2ccccc2[nH]1 ZINC000046439484 1025581008 /nfs/dbraw/zinc/58/10/08/1025581008.db2.gz FSMDUDZUIVIPNW-CYBMUJFWSA-N 0 3 312.332 3.601 20 30 DHEDHN C=CCCC1(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000355038425 1025588483 /nfs/dbraw/zinc/58/84/83/1025588483.db2.gz LEIYKDUBOZQLDA-SJLPKXTDSA-N 0 3 312.457 3.685 20 30 DHEDHN C#CC[C@@H]1CCN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000886358463 1025603145 /nfs/dbraw/zinc/60/31/45/1025603145.db2.gz VFQZFJVJATUIIP-QWHCGFSZSA-N 0 3 315.804 3.796 20 30 DHEDHN C#CC[C@@H]1CCN([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000886359325 1025603377 /nfs/dbraw/zinc/60/33/77/1025603377.db2.gz ARFQHAPSQQDMJK-HZPDHXFCSA-N 0 3 309.413 3.760 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2coc(-c3ccc(OCC)cc3)n2)C1 ZINC000886362627 1025603602 /nfs/dbraw/zinc/60/36/02/1025603602.db2.gz GWDYKIYEXYMDBN-OAHLLOKOSA-N 0 3 310.397 3.586 20 30 DHEDHN C#CCC1(NCc2ccc(F)c(Cl)c2Cl)CCOCC1 ZINC000886378998 1025611311 /nfs/dbraw/zinc/61/13/11/1025611311.db2.gz JLAQLEVOCHYMDX-UHFFFAOYSA-N 0 3 316.203 3.795 20 30 DHEDHN CN(C)[C@@H](CNc1cccc(Cl)c1C#N)c1ccsc1 ZINC000355180823 1025628470 /nfs/dbraw/zinc/62/84/70/1025628470.db2.gz QIMIVJGNQNAGHH-HNNXBMFYSA-N 0 3 305.834 3.988 20 30 DHEDHN CC[C@@H](c1ccccc1)N(CC)Cc1cnc2c(C#N)cnn2c1 ZINC000573564247 1025725257 /nfs/dbraw/zinc/72/52/57/1025725257.db2.gz BAWUFUMJBZGRMJ-SFHVURJKSA-N 0 3 319.412 3.574 20 30 DHEDHN CC(C)(C#N)CCCN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000133205989 1025769018 /nfs/dbraw/zinc/76/90/18/1025769018.db2.gz MRUAIVFRXSDKFB-MRXNPFEDSA-N 0 3 323.444 3.939 20 30 DHEDHN C=C(C)CN(CC)C(=O)c1oc2ccccc2c1CN(C)C ZINC000074043644 1025808984 /nfs/dbraw/zinc/80/89/84/1025808984.db2.gz NQZBKRKSKKRJES-UHFFFAOYSA-N 0 3 300.402 3.533 20 30 DHEDHN N#CC1(CCN2CCCN(c3nccs3)CC2)CCCCC1 ZINC000411187980 1025866123 /nfs/dbraw/zinc/86/61/23/1025866123.db2.gz SZBATEOEEGOSPC-UHFFFAOYSA-N 0 3 318.490 3.519 20 30 DHEDHN C=CCC1(O)CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000886759808 1025881471 /nfs/dbraw/zinc/88/14/71/1025881471.db2.gz QEIRYLBNAWCJGM-UHFFFAOYSA-N 0 3 314.454 3.713 20 30 DHEDHN Cc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(N2CCCC2)n1 ZINC000289771877 1026168412 /nfs/dbraw/zinc/16/84/12/1026168412.db2.gz MEXCBOBXSONWFR-MRXNPFEDSA-N 0 3 320.440 3.713 20 30 DHEDHN CC[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(C)cc1 ZINC000120534018 1026217710 /nfs/dbraw/zinc/21/77/10/1026217710.db2.gz HKPXVCAFOJOTFJ-GOSISDBHSA-N 0 3 307.397 3.546 20 30 DHEDHN C=CC[C@@H](NCc1ccc(OC)c(OC)c1C)c1ccncc1 ZINC000808389328 1026275821 /nfs/dbraw/zinc/27/58/21/1026275821.db2.gz QNFHJSOXDVJYSF-QGZVFWFLSA-N 0 3 312.413 3.814 20 30 DHEDHN CCN(CC)[C@H](C/N=C\c1ccccc1O)c1ccsc1 ZINC000255775667 1026303821 /nfs/dbraw/zinc/30/38/21/1026303821.db2.gz RHNLINNBPINYRO-CJMVGXJBSA-N 0 3 302.443 3.956 20 30 DHEDHN C#C[C@H](N[C@@H]1CCCc2c3cc(C)ccc3[nH]c21)[C@@H]1CCCO1 ZINC000808715913 1026365008 /nfs/dbraw/zinc/36/50/08/1026365008.db2.gz YTDIUDMCDLVLQO-UHOSZYNNSA-N 0 3 308.425 3.624 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808718958 1026366952 /nfs/dbraw/zinc/36/69/52/1026366952.db2.gz QXKKBAOYKIREIC-XNJGSVPQSA-N 0 3 309.837 3.986 20 30 DHEDHN C=C(Br)CNC1CC(c2cc(F)cc(F)c2)C1 ZINC000809616319 1026565219 /nfs/dbraw/zinc/56/52/19/1026565219.db2.gz NFJVZRWZRFEEHN-UHFFFAOYSA-N 0 3 302.162 3.709 20 30 DHEDHN C#C[C@@H](CC)NCc1ccc(OC(F)F)c(Br)c1 ZINC000809685622 1026592916 /nfs/dbraw/zinc/59/29/16/1026592916.db2.gz FZLISRWAWNEMFY-JTQLQIEISA-N 0 3 318.161 3.552 20 30 DHEDHN C#C[C@H](CC)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000809686303 1026593478 /nfs/dbraw/zinc/59/34/78/1026593478.db2.gz IQXCZPOYJLGNNF-LJQANCHMSA-N 0 3 304.393 3.639 20 30 DHEDHN C#C[C@@H](NCc1c(C)nn(-c2ccc(F)cc2F)c1C)C(C)C ZINC000809685113 1026593603 /nfs/dbraw/zinc/59/36/03/1026593603.db2.gz AEEWUCHBHYGLEH-QGZVFWFLSA-N 0 3 317.383 3.515 20 30 DHEDHN C#C[C@@H](NCc1cn(-c2ccc(Cl)cc2)nc1C)C(C)C ZINC000809685486 1026593921 /nfs/dbraw/zinc/59/39/21/1026593921.db2.gz VVLMECJYMLYZKU-QGZVFWFLSA-N 0 3 301.821 3.582 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccccc2N(C)C)cc1 ZINC000809787533 1026625791 /nfs/dbraw/zinc/62/57/91/1026625791.db2.gz HGNNZZFYAJPFGN-INIZCTEOSA-N 0 3 323.440 3.675 20 30 DHEDHN CC(C)(O)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810236306 1026726543 /nfs/dbraw/zinc/72/65/43/1026726543.db2.gz CBBVJZBUOBDHFC-IBGZPJMESA-N 0 3 306.409 3.563 20 30 DHEDHN C#C[C@@H](N[C@@H](C)Cc1cccc(OC)n1)c1ccc(Cl)cc1 ZINC000811516878 1027018576 /nfs/dbraw/zinc/01/85/76/1027018576.db2.gz WYWAOSUKGRGFDS-SUMWQHHRSA-N 0 3 314.816 3.639 20 30 DHEDHN C#C[C@H](N[C@@H](C)Cc1cccc(OC)n1)c1ccc(Cl)cc1 ZINC000811516876 1027018811 /nfs/dbraw/zinc/01/88/11/1027018811.db2.gz WYWAOSUKGRGFDS-GUYCJALGSA-N 0 3 314.816 3.639 20 30 DHEDHN CC(=NNC[C@@H]1CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000811660509 1027054173 /nfs/dbraw/zinc/05/41/73/1027054173.db2.gz OLWCUOZCPOQTSP-INIZCTEOSA-N 0 3 317.502 3.744 20 30 DHEDHN COCCN(Cc1cccc(C#N)c1F)C[C@H]1CC=CCC1 ZINC000362258423 1027118565 /nfs/dbraw/zinc/11/85/65/1027118565.db2.gz AZASYFYSZLVQTJ-HNNXBMFYSA-N 0 3 302.393 3.502 20 30 DHEDHN C[C@@H](NCc1cccc(-c2nccn2C)c1)c1ccc(C#N)cc1 ZINC000362339575 1027153269 /nfs/dbraw/zinc/15/32/69/1027153269.db2.gz HKRXAGFXQUHMFP-OAHLLOKOSA-N 0 3 316.408 3.810 20 30 DHEDHN COc1ccc(C(C)=NOC2CCC2)cc1CN1CCCCC1 ZINC000812236069 1027215323 /nfs/dbraw/zinc/21/53/23/1027215323.db2.gz VLYOTRLSCHONJP-UHFFFAOYSA-N 0 3 316.445 3.974 20 30 DHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000572890440 1027239484 /nfs/dbraw/zinc/23/94/84/1027239484.db2.gz CAUUDUHAOZECRO-KRWDZBQOSA-N 0 3 302.462 3.712 20 30 DHEDHN C#C[C@H](NC1CCC2(CCOCC2)CC1)c1ccc(F)cc1 ZINC000812792795 1027422531 /nfs/dbraw/zinc/42/25/31/1027422531.db2.gz HMGYCSNPFRYBKB-SFHVURJKSA-N 0 3 301.405 3.829 20 30 DHEDHN N#CCCN(C1CCCC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170695887 1027502378 /nfs/dbraw/zinc/50/23/78/1027502378.db2.gz PMZWIEUUCHTNEH-INIZCTEOSA-N 0 3 304.384 3.980 20 30 DHEDHN CC(C)(C#N)CCCN1CCC(C(=O)c2cccs2)CC1 ZINC000363642776 1027711012 /nfs/dbraw/zinc/71/10/12/1027711012.db2.gz FJTHNGQRIQHUMT-UHFFFAOYSA-N 0 3 304.459 3.973 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)CCOC ZINC000778177888 1027753698 /nfs/dbraw/zinc/75/36/98/1027753698.db2.gz YXSFDFWDROADFP-UHFFFAOYSA-N 0 3 309.837 3.504 20 30 DHEDHN Cc1cccc([C@@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)c1 ZINC000363856020 1027763309 /nfs/dbraw/zinc/76/33/09/1027763309.db2.gz WYONIJUGHOFGHI-GOSISDBHSA-N 0 3 316.408 3.504 20 30 DHEDHN C=CC1CCN(CC(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000600679946 1027783549 /nfs/dbraw/zinc/78/35/49/1027783549.db2.gz LUCIVNFLLNZNFB-INIZCTEOSA-N 0 3 322.452 3.915 20 30 DHEDHN C[C@H](CN1CCC2(CC1)CC(=O)C=CO2)c1cccc(Cl)c1 ZINC000933647653 1027785693 /nfs/dbraw/zinc/78/56/93/1027785693.db2.gz JMCCLOCOZHHUMC-CQSZACIVSA-N 0 3 319.832 3.781 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@@H](C(C)C)C1 ZINC000778178287 1027788390 /nfs/dbraw/zinc/78/83/90/1027788390.db2.gz LCXORTQEWDQCGD-KBXCAEBGSA-N 0 3 321.848 3.645 20 30 DHEDHN CC1(C)[C@H](NCc2ccc(F)c(C#N)c2Cl)[C@@H]2CCCO[C@@H]21 ZINC000365244468 1027905815 /nfs/dbraw/zinc/90/58/15/1027905815.db2.gz JNKOVYVOBSZTLM-XZJROXQQSA-N 0 3 322.811 3.644 20 30 DHEDHN C=CCCC[C@@H](C)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000778229868 1027938733 /nfs/dbraw/zinc/93/87/33/1027938733.db2.gz AHVCPSHINJYCOA-CQSZACIVSA-N 0 3 309.400 3.993 20 30 DHEDHN CC(C)[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000008003003 1027961851 /nfs/dbraw/zinc/96/18/51/1027961851.db2.gz UBVRLASRHPTIOJ-DNVCBOLYSA-N 0 3 321.424 3.872 20 30 DHEDHN CC(C)[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000008002925 1027963231 /nfs/dbraw/zinc/96/32/31/1027963231.db2.gz LKPMYUXNBRQIQJ-INIZCTEOSA-N 0 3 313.426 3.545 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC(C(=O)c3ccccc3Cl)CC2)C1 ZINC000934418841 1027997999 /nfs/dbraw/zinc/99/79/99/1027997999.db2.gz PSQTZSYOWQYBFO-HIFRSBDPSA-N 0 3 316.832 3.927 20 30 DHEDHN C#CCN(C(=O)C[C@H](C)CCCCCC)C1CCN(C)CC1 ZINC001134262891 1028005080 /nfs/dbraw/zinc/00/50/80/1028005080.db2.gz VEZLLKMXVPJBLZ-QGZVFWFLSA-N 0 3 306.494 3.539 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2ncccc21 ZINC000601280925 1028057261 /nfs/dbraw/zinc/05/72/61/1028057261.db2.gz JOXNGDVUIWWMBQ-WOJBJXKFSA-N 0 3 303.409 3.998 20 30 DHEDHN CC[C@H](N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000601300153 1028068379 /nfs/dbraw/zinc/06/83/79/1028068379.db2.gz CVIWTZHDSJPACE-KKUMJFAQSA-N 0 3 314.351 3.547 20 30 DHEDHN Cc1ncc(CN2CCC(CCC#N)CC2)n1-c1ccccc1 ZINC000563621567 1028129271 /nfs/dbraw/zinc/12/92/71/1028129271.db2.gz AJSFXQMVJFLHJO-UHFFFAOYSA-N 0 3 308.429 3.697 20 30 DHEDHN COc1cc2c(cc1OC)[C@H](NCc1ccc(CC#N)cc1)CC2 ZINC000578357814 1028131048 /nfs/dbraw/zinc/13/10/48/1028131048.db2.gz JYOATUXTSOVDGM-GOSISDBHSA-N 0 3 322.408 3.547 20 30 DHEDHN CCC(N=Nc1ccc(Br)nc1)c1cccc(N)c1 ZINC000814847373 1028243090 /nfs/dbraw/zinc/24/30/90/1028243090.db2.gz LHRDBWFQHZYYRN-UHFFFAOYSA-N 0 3 319.206 3.653 20 30 DHEDHN COc1ccc(CN2C[C@H]3CCCC[C@H]32)cc1OCCCC#N ZINC000367955318 1028266827 /nfs/dbraw/zinc/26/68/27/1028266827.db2.gz HOCSXKQKVLAWOS-IAGOWNOFSA-N 0 3 314.429 3.752 20 30 DHEDHN C=CCCCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000578953139 1028286094 /nfs/dbraw/zinc/28/60/94/1028286094.db2.gz TYOATZOONLBYOM-UHFFFAOYSA-N 0 3 311.216 3.630 20 30 DHEDHN CCCCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000935623988 1028339041 /nfs/dbraw/zinc/33/90/41/1028339041.db2.gz IZWINSAAMXYAQY-GOSISDBHSA-N 0 3 302.462 3.738 20 30 DHEDHN Cc1ccccc1CCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000369208417 1028460553 /nfs/dbraw/zinc/46/05/53/1028460553.db2.gz XTJCREVDLMJVPL-UHFFFAOYSA-N 0 3 319.452 3.880 20 30 DHEDHN CC(C)[C@H](NC1CCC(C)(C#N)CC1)c1nc(C2CC2)no1 ZINC000449225508 1028466645 /nfs/dbraw/zinc/46/66/45/1028466645.db2.gz OSPUTHXDPOTFBS-UUCFBXCCSA-N 0 3 302.422 3.706 20 30 DHEDHN CC(C)(C)OC(=O)N1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000369366555 1028480945 /nfs/dbraw/zinc/48/09/45/1028480945.db2.gz PJWZMBFLBQUPKA-UHFFFAOYSA-N 0 3 323.481 3.649 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000565047193 1028532430 /nfs/dbraw/zinc/53/24/30/1028532430.db2.gz CXICWIGVLQESFJ-QGZVFWFLSA-N 0 3 321.380 3.846 20 30 DHEDHN CCOc1ccccc1C1=CCN(CCCSCC#N)CC1 ZINC000369837850 1028538837 /nfs/dbraw/zinc/53/88/37/1028538837.db2.gz LEWDVDMFTFKGMX-UHFFFAOYSA-N 0 3 316.470 3.821 20 30 DHEDHN CCc1ccc(C#CC(=O)Nc2cc(CN(C)C)ccc2C)cc1 ZINC000815754146 1028621679 /nfs/dbraw/zinc/62/16/79/1028621679.db2.gz DLDMLTHBHOLYKB-UHFFFAOYSA-N 0 3 320.436 3.609 20 30 DHEDHN C=C(C)CCNCc1c(Br)cc(OC)cc1OC ZINC000449475154 1028674494 /nfs/dbraw/zinc/67/44/94/1028674494.db2.gz KQUJUFITMIUILX-UHFFFAOYSA-N 0 3 314.223 3.522 20 30 DHEDHN Cc1cccc(CCC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000041542558 1028747616 /nfs/dbraw/zinc/74/76/16/1028747616.db2.gz RUNCCVYVKDWLMU-OAHLLOKOSA-N 0 3 304.349 3.945 20 30 DHEDHN N#Cc1ccc(-c2cnc(CN3CCC[C@H]4CCC[C@@H]43)o2)cc1 ZINC000371786411 1028758635 /nfs/dbraw/zinc/75/86/35/1028758635.db2.gz IKZMCXAUJICPLY-WBVHZDCISA-N 0 3 307.397 3.978 20 30 DHEDHN Cc1ccnc(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000371821721 1028764367 /nfs/dbraw/zinc/76/43/67/1028764367.db2.gz CKRZIDCLYJZBBU-OAHLLOKOSA-N 0 3 306.413 3.597 20 30 DHEDHN CC1(C)[C@@H](c2cccc(F)c2)CCN1Cc1ccnc(C#N)c1 ZINC000528775879 1028798595 /nfs/dbraw/zinc/79/85/95/1028798595.db2.gz SUYRAGFYRBZEQI-GOSISDBHSA-N 0 3 309.388 3.860 20 30 DHEDHN CCCCCCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372426206 1028853846 /nfs/dbraw/zinc/85/38/46/1028853846.db2.gz LNVWFWNOAXPHNO-HKUYNNGSSA-N 0 3 317.477 3.551 20 30 DHEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000528912107 1028920973 /nfs/dbraw/zinc/92/09/73/1028920973.db2.gz IISDIAUAWUYZCV-HHHUMZEGSA-N 0 3 314.410 3.532 20 30 DHEDHN N#CC(C(=O)CCCCC(=O)c1ccc(F)cc1)c1ccccn1 ZINC000778604274 1028939988 /nfs/dbraw/zinc/93/99/88/1028939988.db2.gz KETGBRJMFWAZKZ-MRXNPFEDSA-N 0 3 324.355 3.840 20 30 DHEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567739210 1028945732 /nfs/dbraw/zinc/94/57/32/1028945732.db2.gz FROXCIAALWZGIT-KDOFPFPSSA-N 0 3 321.380 3.844 20 30 DHEDHN N#CC(C(=O)C[C@H]1C=CCCC1)C(=O)Nc1ccccc1Cl ZINC000778606572 1028951874 /nfs/dbraw/zinc/95/18/74/1028951874.db2.gz YXRCQTKAOOQOCH-STQMWFEESA-N 0 3 316.788 3.734 20 30 DHEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000567989437 1028988435 /nfs/dbraw/zinc/98/84/35/1028988435.db2.gz GEJIOCWYDGXRHQ-AWEZNQCLSA-N 0 3 309.369 3.702 20 30 DHEDHN C=CCOc1ccc(CN2CCCC(F)(F)CC2)cc1OC ZINC000628422365 1029046862 /nfs/dbraw/zinc/04/68/62/1029046862.db2.gz ZMDDKARJSJKXDE-UHFFFAOYSA-N 0 3 311.372 3.881 20 30 DHEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000411325139 1029102946 /nfs/dbraw/zinc/10/29/46/1029102946.db2.gz NQCFRMNWXMDLBK-UONOGXRCSA-N 0 3 303.475 3.894 20 30 DHEDHN N#CC1(CCN2CC3(CCC3)[C@H]2[C@H]2CCCO2)CCCCC1 ZINC000411746449 1029198138 /nfs/dbraw/zinc/19/81/38/1029198138.db2.gz OGPWBRZGNKNVOL-IAGOWNOFSA-N 0 3 302.462 3.884 20 30 DHEDHN Cc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1C ZINC000190926864 1029216087 /nfs/dbraw/zinc/21/60/87/1029216087.db2.gz SZNIPKMBABOBBZ-OAHLLOKOSA-N 0 3 301.349 3.737 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450297994 1029332214 /nfs/dbraw/zinc/33/22/14/1029332214.db2.gz KXIORZUNGGHQMG-LAUBAEHRSA-N 0 3 320.436 3.711 20 30 DHEDHN CC(C)(C)Sc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000818108571 1029335434 /nfs/dbraw/zinc/33/54/34/1029335434.db2.gz DFFJIZXTHYVGGC-AWEZNQCLSA-N 0 3 305.447 3.537 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000818224538 1029357676 /nfs/dbraw/zinc/35/76/76/1029357676.db2.gz MIADOPLXWKARCV-PXNSSMCTSA-N 0 3 309.409 3.740 20 30 DHEDHN Cc1ccccc1C1=CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000374613740 1029403879 /nfs/dbraw/zinc/40/38/79/1029403879.db2.gz PFVKINVKGSFLJW-OAQYLSRUSA-N 0 3 318.420 3.689 20 30 DHEDHN COc1cc(CNCCCC#N)ccc1OCc1ccccc1 ZINC000357208062 1029946581 /nfs/dbraw/zinc/94/65/81/1029946581.db2.gz FURZUFBNIZLMBE-UHFFFAOYSA-N 0 3 310.397 3.668 20 30 DHEDHN C#Cc1ccc(CN[C@@H](CC)c2cccc(OC)c2OC)cc1 ZINC000865757952 1030005698 /nfs/dbraw/zinc/00/56/98/1030005698.db2.gz SKFMXLXGUIGFMM-SFHVURJKSA-N 0 3 309.409 3.926 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000865831598 1030047720 /nfs/dbraw/zinc/04/77/20/1030047720.db2.gz XRLLYPLRGGZELU-SJORKVTESA-N 0 3 316.788 3.815 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2cc3cnccc3o2)cc1 ZINC000865855088 1030061473 /nfs/dbraw/zinc/06/14/73/1030061473.db2.gz VBVPWEFOASRYHU-ZIAGYGMSSA-N 0 3 321.380 3.969 20 30 DHEDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)CC(C)(C)C#N ZINC000924585853 1030131688 /nfs/dbraw/zinc/13/16/88/1030131688.db2.gz DLFPADFDOGVULR-HNNXBMFYSA-N 0 3 324.472 3.966 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NCc1ccnc(OC2CCCC2)c1 ZINC000924648740 1030149514 /nfs/dbraw/zinc/14/95/14/1030149514.db2.gz NRJCTPLDBXUFKQ-CQSZACIVSA-N 0 3 301.434 3.821 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](CC)C1 ZINC000533224681 1030202733 /nfs/dbraw/zinc/20/27/33/1030202733.db2.gz WPTVHKKFBMGFOI-JKSUJKDBSA-N 0 3 320.502 3.773 20 30 DHEDHN CCC(CC)N(CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000533268600 1030242892 /nfs/dbraw/zinc/24/28/92/1030242892.db2.gz JRKLUMVCUUCTDS-UHFFFAOYSA-N 0 3 319.474 3.828 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000533300631 1030260343 /nfs/dbraw/zinc/26/03/43/1030260343.db2.gz HYCBDLBVEPUSRF-GJZGRUSLSA-N 0 3 314.429 3.897 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000533299940 1030261229 /nfs/dbraw/zinc/26/12/29/1030261229.db2.gz SNNWXVUAOKIROT-KBPBESRZSA-N 0 3 308.853 3.804 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000533301046 1030261653 /nfs/dbraw/zinc/26/16/53/1030261653.db2.gz CUVNGILSLRPWLA-QGZVFWFLSA-N 0 3 302.462 3.710 20 30 DHEDHN COc1ccc(OC(F)F)c(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000925259096 1030324646 /nfs/dbraw/zinc/32/46/46/1030324646.db2.gz SUXCCGWLMMEYNS-NSHDSACASA-N 0 3 312.360 3.715 20 30 DHEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)C2(Cl)CC2)ccc1OC ZINC000925396478 1030354537 /nfs/dbraw/zinc/35/45/37/1030354537.db2.gz KWFYZSXHISCSOD-OCCSQVGLSA-N 0 3 322.836 3.626 20 30 DHEDHN CCCN(CCC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000867631995 1030468962 /nfs/dbraw/zinc/46/89/62/1030468962.db2.gz UFEDWOCAUZABDZ-ZDUSSCGKSA-N 0 3 315.442 3.595 20 30 DHEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000121765427 1030475251 /nfs/dbraw/zinc/47/52/51/1030475251.db2.gz NMCZGTUVQGBSAS-RHSMWYFYSA-N 0 3 314.429 3.537 20 30 DHEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc3ccccc3c2)C1=O ZINC001275603451 1030529334 /nfs/dbraw/zinc/52/93/34/1030529334.db2.gz VLKVACVVHZPSHB-NRFANRHFSA-N 0 3 320.436 3.593 20 30 DHEDHN C[C@@H](NC[C@H](c1cccs1)N(C)C)c1ccc(C#N)cc1F ZINC000358576326 1030545968 /nfs/dbraw/zinc/54/59/68/1030545968.db2.gz TYSARGZORNSXOS-MLGOLLRUSA-N 0 3 317.433 3.712 20 30 DHEDHN CC[C@H](CSC)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000358734586 1030603932 /nfs/dbraw/zinc/60/39/32/1030603932.db2.gz FHHVMXOKHYDTLM-CYBMUJFWSA-N 0 3 314.401 3.733 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)cc1C#N ZINC000122405624 1030699717 /nfs/dbraw/zinc/69/97/17/1030699717.db2.gz OJOPCIGVLMBPSO-GOSISDBHSA-N 0 3 310.372 3.873 20 30 DHEDHN CCc1nc(CNC2CCC(C#N)(c3ccccc3)CC2)co1 ZINC000825057053 1030714576 /nfs/dbraw/zinc/71/45/76/1030714576.db2.gz LSUKZKKVMLBYJH-UHFFFAOYSA-N 0 3 309.413 3.731 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000926611630 1030823795 /nfs/dbraw/zinc/82/37/95/1030823795.db2.gz OIOFFAXNYJIFJF-IHPCNDPISA-N 0 3 308.425 3.660 20 30 DHEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cc2ccccc2o1 ZINC001275640504 1030842192 /nfs/dbraw/zinc/84/21/92/1030842192.db2.gz AWCLFMXJTJQCOB-HXUWFJFHSA-N 0 3 324.424 3.576 20 30 DHEDHN C#CCN(Cc1cccc(OC)c1O)[C@H]1CCc2ccccc21 ZINC000179203475 1030859220 /nfs/dbraw/zinc/85/92/20/1030859220.db2.gz AGMAINGNQWJNKE-SFHVURJKSA-N 0 3 307.393 3.524 20 30 DHEDHN CC(C)[C@H](NCc1cccc(C#N)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000359269570 1030876256 /nfs/dbraw/zinc/87/62/56/1030876256.db2.gz YUPCODHELSYTFU-SFHVURJKSA-N 0 3 321.380 3.892 20 30 DHEDHN CCN(CC)[C@H](CNc1ccc(C#N)cc1F)c1ccco1 ZINC000078612986 1031009559 /nfs/dbraw/zinc/00/95/59/1031009559.db2.gz WGPTXBPDQPABDI-MRXNPFEDSA-N 0 3 301.365 3.785 20 30 DHEDHN C=CCC[C@@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccco1 ZINC000927016451 1031034657 /nfs/dbraw/zinc/03/46/57/1031034657.db2.gz TZRRMOLYURWJQK-HZPDHXFCSA-N 0 3 305.418 3.605 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc(N3CCCC3)nc2)cc1 ZINC000078907611 1031060837 /nfs/dbraw/zinc/06/08/37/1031060837.db2.gz TUQWPCLFWMZNFW-UHFFFAOYSA-N 0 3 323.440 3.536 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H](OC(F)F)C1 ZINC000611578384 1031109196 /nfs/dbraw/zinc/10/91/96/1031109196.db2.gz BXNJGRHOFNQSLB-CQSZACIVSA-N 0 3 308.372 3.691 20 30 DHEDHN C[C@H]1CN(Cc2cncc(C#N)c2)CCc2ccc(Cl)cc21 ZINC001144083732 1031235335 /nfs/dbraw/zinc/23/53/35/1031235335.db2.gz RGNNJCNQBQTTOD-ZDUSSCGKSA-N 0 3 311.816 3.768 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H](OC3CCC3)CC2)cc1F ZINC000872258952 1031560816 /nfs/dbraw/zinc/56/08/16/1031560816.db2.gz HIMNKDPLRFTVAV-KRWDZBQOSA-N 0 3 302.393 3.621 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000360837731 1031581450 /nfs/dbraw/zinc/58/14/50/1031581450.db2.gz RBPOGOGXBAGOOE-GOSISDBHSA-N 0 3 307.397 3.519 20 30 DHEDHN COc1ccc(F)c(CN[C@H](C)Cc2cccc(C#N)c2)c1F ZINC001171185901 1031612480 /nfs/dbraw/zinc/61/24/80/1031612480.db2.gz SRGZOMFQUOAZNY-GFCCVEGCSA-N 0 3 316.351 3.566 20 30 DHEDHN N#Cc1ccc(C2CCN(Cc3n[nH]c4ccccc43)CC2)cc1 ZINC000897589311 1031664240 /nfs/dbraw/zinc/66/42/40/1031664240.db2.gz JLENPIBGDDUZQL-UHFFFAOYSA-N 0 3 316.408 3.814 20 30 DHEDHN N#CC(C(=O)c1ccc(SC(F)(F)F)cc1)c1ccncn1 ZINC000760350512 1031678309 /nfs/dbraw/zinc/67/83/09/1031678309.db2.gz ALAMUBOTTYAUSO-NSHDSACASA-N 0 3 323.299 3.579 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000361054985 1031698674 /nfs/dbraw/zinc/69/86/74/1031698674.db2.gz VCUYZPLZBFJAQE-AWEZNQCLSA-N 0 3 312.335 3.576 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](CCCO)c2ccccc2)cc1 ZINC000124394292 1031706661 /nfs/dbraw/zinc/70/66/61/1031706661.db2.gz MQSZUBMVBZJDBK-OXQOHEQNSA-N 0 3 324.424 3.581 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@H]2c2cccc(C(=O)OC)c2)cc1 ZINC001144581264 1031717653 /nfs/dbraw/zinc/71/76/53/1031717653.db2.gz NZRVGZXMRZUBQV-FQEVSTJZSA-N 0 3 319.404 3.792 20 30 DHEDHN CCCC[C@@H](NCc1cncc(C#N)c1)c1ccc(OC)cc1 ZINC000930212993 1031739574 /nfs/dbraw/zinc/73/95/74/1031739574.db2.gz GLYDEFLOYPCEJX-LJQANCHMSA-N 0 3 309.413 3.983 20 30 DHEDHN CC(C)[C@H](NCC1CCC(C#N)CC1)c1nc(C2CC2)no1 ZINC000930235671 1031750788 /nfs/dbraw/zinc/75/07/88/1031750788.db2.gz DSWOPXYBZGSJLN-PIMMBPRGSA-N 0 3 302.422 3.564 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001171203964 1031789466 /nfs/dbraw/zinc/78/94/66/1031789466.db2.gz QXEYAZYYDMVUKK-KCPJHIHWSA-N 0 3 314.326 3.569 20 30 DHEDHN CC[C@@](O)(CN[C@H](CCCC#N)c1ccccc1)C(F)(F)F ZINC000930571921 1031873301 /nfs/dbraw/zinc/87/33/01/1031873301.db2.gz ZUZWTCGTCPLQLE-HUUCEWRRSA-N 0 3 314.351 3.715 20 30 DHEDHN N#CC(C(=O)c1cccc2nccnc21)c1nccc2ccccc21 ZINC000361531056 1031973732 /nfs/dbraw/zinc/97/37/32/1031973732.db2.gz OGABBGZWXGGRHP-MRXNPFEDSA-N 0 3 324.343 3.668 20 30 DHEDHN C#CCCCCCCN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000877412111 1033296783 /nfs/dbraw/zinc/29/67/83/1033296783.db2.gz UQJJVIDLOPMLEX-LJQANCHMSA-N 0 3 313.420 3.822 20 30 DHEDHN C=C(CNCc1c(C)nn(-c2ccccn2)c1C)c1ccccc1 ZINC000338425737 1033342447 /nfs/dbraw/zinc/34/24/47/1033342447.db2.gz PSSRRAQNZHRMEV-UHFFFAOYSA-N 0 3 318.424 3.687 20 30 DHEDHN CC(C)c1cc([C@H]2CCCN(Cc3ccc(C#N)s3)C2)[nH]n1 ZINC000877785507 1033450082 /nfs/dbraw/zinc/45/00/82/1033450082.db2.gz ZVWJPMBGMIDINM-ZDUSSCGKSA-N 0 3 314.458 3.846 20 30 DHEDHN CC(C)c1cc([C@H]2CCCN(Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000877785507 1033450086 /nfs/dbraw/zinc/45/00/86/1033450086.db2.gz ZVWJPMBGMIDINM-ZDUSSCGKSA-N 0 3 314.458 3.846 20 30 DHEDHN C[C@@H](CCC#N)CNCc1cc(-c2ccc(F)cc2F)on1 ZINC000877811495 1033459838 /nfs/dbraw/zinc/45/98/38/1033459838.db2.gz LVBUGYMQCSJDIG-NSHDSACASA-N 0 3 305.328 3.649 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN(C)[C@H](C)C1CC1 ZINC000552836827 1033521183 /nfs/dbraw/zinc/52/11/83/1033521183.db2.gz WKQBVZZNYOONPJ-CYBMUJFWSA-N 0 3 304.459 3.634 20 30 DHEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc2c(c1)OCO2 ZINC000237503819 1033543262 /nfs/dbraw/zinc/54/32/62/1033543262.db2.gz HYGKADIHCCEDSC-UONOGXRCSA-N 0 3 324.380 3.557 20 30 DHEDHN CC[C@]1(C)CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878147639 1033598719 /nfs/dbraw/zinc/59/87/19/1033598719.db2.gz HNBRAABEXOUIGW-WOJBJXKFSA-N 0 3 312.457 3.939 20 30 DHEDHN C=CC[C@H](C)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000878212185 1033621841 /nfs/dbraw/zinc/62/18/41/1033621841.db2.gz IOZCOUTYGTXJEB-LBPRGKRZSA-N 0 3 322.836 3.661 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@@H]3CC4(CCC4)CO3)CC2)cc1 ZINC000878334235 1033661816 /nfs/dbraw/zinc/66/18/16/1033661816.db2.gz RYKAKVNUFQFPPR-IBGZPJMESA-N 0 3 308.425 3.607 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1C[C@H](C)CC(C)(C)C1)c1ccccc1 ZINC000878403630 1033692392 /nfs/dbraw/zinc/69/23/92/1033692392.db2.gz DERXJIUFHIDBHJ-UZLBHIALSA-N 0 3 312.457 3.795 20 30 DHEDHN COc1cc(C)cc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000127280582 1033790054 /nfs/dbraw/zinc/79/00/54/1033790054.db2.gz MKONAHTWIRSOHK-OAHLLOKOSA-N 0 3 310.397 3.584 20 30 DHEDHN CCO[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C12CCCCC2 ZINC000553777198 1033832506 /nfs/dbraw/zinc/83/25/06/1033832506.db2.gz MCCLTCXTETWRLI-ROUUACIJSA-N 0 3 316.420 3.915 20 30 DHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(O)c2)o1 ZINC000878885474 1033857928 /nfs/dbraw/zinc/85/79/28/1033857928.db2.gz IAEGGZZPGPPLPR-CJNGLKHVSA-N 0 3 313.401 3.667 20 30 DHEDHN N#Cc1ccccc1NC1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000878964200 1033882177 /nfs/dbraw/zinc/88/21/77/1033882177.db2.gz CUONBUORPGLNMF-ZDUSSCGKSA-N 0 3 324.255 3.628 20 30 DHEDHN CC(=O)Nc1cccc2c1CN(CCCCC(C)(C)C#N)CC2 ZINC000879237849 1033958611 /nfs/dbraw/zinc/95/86/11/1033958611.db2.gz PYVHDFFYZKMIHT-UHFFFAOYSA-N 0 3 313.445 3.723 20 30 DHEDHN CN(CCCCCCNC(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000879308348 1033980170 /nfs/dbraw/zinc/98/01/70/1033980170.db2.gz AJBMGLFJDWBBSQ-JKSUJKDBSA-N 0 3 323.481 3.696 20 30 DHEDHN N#CCOc1ccc(Cl)cc1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528947 1034038265 /nfs/dbraw/zinc/03/82/65/1034038265.db2.gz ODMQRDPHVGUEIP-OKILXGFUSA-N 0 3 302.805 3.640 20 30 DHEDHN N#Cc1ccc(CNC2(c3cccc(F)c3)CCOCC2)s1 ZINC000176979038 1034124837 /nfs/dbraw/zinc/12/48/37/1034124837.db2.gz DCBYBHMQAFKZEJ-UHFFFAOYSA-N 0 3 316.401 3.554 20 30 DHEDHN CCCCCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000128476115 1034487893 /nfs/dbraw/zinc/48/78/93/1034487893.db2.gz AGMMQOZYXBCLOL-INIZCTEOSA-N 0 3 300.402 3.867 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186613863 1034649619 /nfs/dbraw/zinc/64/96/19/1034649619.db2.gz PZKXJXDUZSDLLD-UHFFFAOYSA-N 0 3 322.408 3.835 20 30 DHEDHN C=CC[C@@H]1CCN(Cc2ccc(OC)cc2Br)C1 ZINC001174891572 1034664998 /nfs/dbraw/zinc/66/49/98/1034664998.db2.gz TYUQHYWYQAPPSI-GFCCVEGCSA-N 0 3 310.235 3.856 20 30 DHEDHN C=CCOCCN[C@H](COc1ccccc1F)c1ccccc1 ZINC000555420659 1034688777 /nfs/dbraw/zinc/68/87/77/1034688777.db2.gz NZTQKPCAHGWQQU-GOSISDBHSA-N 0 3 315.388 3.738 20 30 DHEDHN N#Cc1cc(NC2=CCN(Cc3ccccc3)CC2)ccc1F ZINC001175506321 1035015439 /nfs/dbraw/zinc/01/54/39/1035015439.db2.gz UXUIGNRWIQDOFJ-UHFFFAOYSA-N 0 3 307.372 3.899 20 30 DHEDHN CNc1ccc(C#N)cc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175506460 1035017910 /nfs/dbraw/zinc/01/79/10/1035017910.db2.gz AVSRTFZJYJVLSW-UHFFFAOYSA-N 0 3 318.424 3.802 20 30 DHEDHN CCN1CCN(c2ccc(Nc3oc(C)c(C)c3C#N)cc2)CC1 ZINC001175782823 1035119218 /nfs/dbraw/zinc/11/92/18/1035119218.db2.gz FNOSFSNVQQJTJV-UHFFFAOYSA-N 0 3 324.428 3.654 20 30 DHEDHN C#CCN(Cc1ccc(C(=O)OC(C)(C)C)cc1)C(C)(C)C ZINC001176281758 1035233249 /nfs/dbraw/zinc/23/32/49/1035233249.db2.gz PKNOJIVJZXOVFS-UHFFFAOYSA-N 0 3 301.430 3.876 20 30 DHEDHN COc1ccccc1C[C@H]1CCCN1CC#Cc1ccccc1 ZINC000483602170 1035282660 /nfs/dbraw/zinc/28/26/60/1035282660.db2.gz QIKFWVQKIWMHRO-HXUWFJFHSA-N 0 3 305.421 3.754 20 30 DHEDHN C=CCCn1cc(CNC[C@H]2CCCC[C@H]2C(C)(C)C)nn1 ZINC001177580224 1035382083 /nfs/dbraw/zinc/38/20/83/1035382083.db2.gz BIMWWKDOIRWROR-NVXWUHKLSA-N 0 3 304.482 3.796 20 30 DHEDHN C[C@@H](CNCc1csc(C#N)c1)c1nc(-c2ccccc2)no1 ZINC001178365347 1035426019 /nfs/dbraw/zinc/42/60/19/1035426019.db2.gz FKVRONLFCLVESB-LBPRGKRZSA-N 0 3 324.409 3.563 20 30 DHEDHN C#C[C@H](N[C@@H](C)c1ccc2cc(OC)ccc2c1)[C@@H]1CCCO1 ZINC000775575338 1035562015 /nfs/dbraw/zinc/56/20/15/1035562015.db2.gz VXMXPWCKAMSCDA-GKCIPKSASA-N 0 3 309.409 3.680 20 30 DHEDHN C#C[C@H](N[C@@H](CC)c1ccc(OC(F)F)cc1)[C@H]1CCCO1 ZINC000775571649 1035569561 /nfs/dbraw/zinc/56/95/61/1035569561.db2.gz IXWDTXDDUUYFAE-HRCADAONSA-N 0 3 309.356 3.510 20 30 DHEDHN N#CCOc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1 ZINC000264593933 1035756610 /nfs/dbraw/zinc/75/66/10/1035756610.db2.gz ZVZBIWYQQNJDPM-UHFFFAOYSA-N 0 3 322.408 3.632 20 30 DHEDHN C[C@H](NCC#Cc1ccccc1)c1cccc(N2CCCC2)c1 ZINC000192162405 1035771904 /nfs/dbraw/zinc/77/19/04/1035771904.db2.gz FHQXUPJBGOSMQU-SFHVURJKSA-N 0 3 304.437 3.989 20 30 DHEDHN CCCCCCCOC(=O)N1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001194004255 1035796583 /nfs/dbraw/zinc/79/65/83/1035796583.db2.gz LBMUTHPWWUVSDN-HOTGVXAUSA-N 0 3 314.445 3.602 20 30 DHEDHN C=CCCCCCN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000193297683 1035858368 /nfs/dbraw/zinc/85/83/68/1035858368.db2.gz PBBCATCPOWRYKU-UHFFFAOYSA-N 0 3 318.436 3.720 20 30 DHEDHN Cc1cc(C)cc(CN(C)Cc2cc(C#N)ccc2N(C)C)c1 ZINC001205657029 1035888675 /nfs/dbraw/zinc/88/86/75/1035888675.db2.gz WXKJLERFZNCFIN-UHFFFAOYSA-N 0 3 307.441 3.873 20 30 DHEDHN COc1cccc(CN(C)CCOCc2ccc(C#N)cc2)c1C ZINC001194792140 1036022133 /nfs/dbraw/zinc/02/21/33/1036022133.db2.gz RJYJFNYRXGYREX-UHFFFAOYSA-N 0 3 324.424 3.524 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000540431879 1036072152 /nfs/dbraw/zinc/07/21/52/1036072152.db2.gz IEWWGCKCUNXWFQ-GOSISDBHSA-N 0 3 318.436 3.703 20 30 DHEDHN CCCCCCCCCOC(=O)N1CCC2(CN(C)C2)CC1 ZINC001194914008 1036075669 /nfs/dbraw/zinc/07/56/69/1036075669.db2.gz NZGHHZUGEWGDMY-UHFFFAOYSA-N 0 3 310.482 3.901 20 30 DHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cc2ccccc2[nH]1 ZINC000775625187 1036086801 /nfs/dbraw/zinc/08/68/01/1036086801.db2.gz DGQPMYRSLGCENS-CQSZACIVSA-N 0 3 305.381 3.921 20 30 DHEDHN C#CCN(Cc1cc(OC)ccc1O)[C@H]1CCc2ccccc21 ZINC000775629946 1036119800 /nfs/dbraw/zinc/11/98/00/1036119800.db2.gz IHCDZUMOBIIHQH-IBGZPJMESA-N 0 3 307.393 3.524 20 30 DHEDHN C#CCN(Cc1cc(OC)ccc1O)[C@@H]1CCc2ccccc21 ZINC000775629948 1036120265 /nfs/dbraw/zinc/12/02/65/1036120265.db2.gz IHCDZUMOBIIHQH-LJQANCHMSA-N 0 3 307.393 3.524 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccn3ccnc3c2)c([O-])c1 ZINC000761785442 1036162780 /nfs/dbraw/zinc/16/27/80/1036162780.db2.gz IFEMMTAVBZKZHH-ZHZULCJRSA-N 0 3 322.412 3.505 20 30 DHEDHN N#Cc1ccc(CNC/C=C/c2ccc(F)cc2F)cc1F ZINC001182369001 1036260179 /nfs/dbraw/zinc/26/01/79/1036260179.db2.gz JQHAWOMTPIGWMY-OWOJBTEDSA-N 0 3 302.299 3.779 20 30 DHEDHN CCCCCCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000914732880 1036284050 /nfs/dbraw/zinc/28/40/50/1036284050.db2.gz NKXKNJZQFSRHER-UHFFFAOYSA-N 0 3 316.489 3.912 20 30 DHEDHN CC(C)(C)[C@H]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000541388025 1036317886 /nfs/dbraw/zinc/31/78/86/1036317886.db2.gz UDIRLSZDXWINCK-ZDUSSCGKSA-N 0 3 319.836 3.518 20 30 DHEDHN C=CCc1cc(CNCc2cscc2C)cc(OC)c1O ZINC000487147749 1036553898 /nfs/dbraw/zinc/55/38/98/1036553898.db2.gz CZGMJEYLEHLWLM-UHFFFAOYSA-N 0 3 303.427 3.789 20 30 DHEDHN Cc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1C#N ZINC001196575407 1036576542 /nfs/dbraw/zinc/57/65/42/1036576542.db2.gz UABUKOBUWYMIJQ-GFCCVEGCSA-N 0 3 307.353 3.564 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000122587151 1036902370 /nfs/dbraw/zinc/90/23/70/1036902370.db2.gz CCJVSHGNEJWRJC-IBGZPJMESA-N 0 3 315.388 3.556 20 30 DHEDHN Oc1ccc(C[C@@H]2CCCCN2CC#Cc2ccc(F)cc2)cc1 ZINC001198604296 1037076648 /nfs/dbraw/zinc/07/66/48/1037076648.db2.gz KYTHTEXTQNAPMY-FQEVSTJZSA-N 0 3 323.411 3.980 20 30 DHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)OCCCO2 ZINC000193871585 1037299638 /nfs/dbraw/zinc/29/96/38/1037299638.db2.gz VWEFGOKGYYVFGS-CQSZACIVSA-N 0 3 308.381 3.570 20 30 DHEDHN CC[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(C)cc1 ZINC000194013860 1037334024 /nfs/dbraw/zinc/33/40/24/1037334024.db2.gz HMCRUTAFGFBRSD-SFHVURJKSA-N 0 3 307.397 3.546 20 30 DHEDHN C=CCOc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC001199864293 1037350888 /nfs/dbraw/zinc/35/08/88/1037350888.db2.gz HJXOYLGVKKZMII-UHFFFAOYSA-N 0 3 314.404 3.746 20 30 DHEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000912394358 1037371984 /nfs/dbraw/zinc/37/19/84/1037371984.db2.gz MSVOYLRIJMMZCN-JKSUJKDBSA-N 0 3 306.837 3.687 20 30 DHEDHN COCCN(CCCCC(C)(C)C#N)Cc1scnc1C ZINC000489445291 1037443738 /nfs/dbraw/zinc/44/37/38/1037443738.db2.gz GCRDMUIYEDHXAO-UHFFFAOYSA-N 0 3 309.479 3.620 20 30 DHEDHN CC(C)CO[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000776165892 1037655662 /nfs/dbraw/zinc/65/56/62/1037655662.db2.gz YDDVZXIJMGKPBC-IRXDYDNUSA-N 0 3 304.409 3.627 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000185135313 1037781619 /nfs/dbraw/zinc/78/16/19/1037781619.db2.gz ZRZBGDIQMWQCAL-GOEBONIOSA-N 0 3 308.491 3.850 20 30 DHEDHN CCCCCCCCCCCN1CCN(CC(C)(C)O)CC1 ZINC001201630470 1037797981 /nfs/dbraw/zinc/79/79/81/1037797981.db2.gz ACTYTRNHYWFPIE-UHFFFAOYSA-N 0 3 312.542 3.906 20 30 DHEDHN CCCCCCCCCCCN1Cc2ccnn2CC[C@H]1CO ZINC001201631738 1037801418 /nfs/dbraw/zinc/80/14/18/1037801418.db2.gz ZRGNWTUETDKTOA-IBGZPJMESA-N 0 3 321.509 3.981 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc2c[nH]nc2c1 ZINC000125383554 1037934743 /nfs/dbraw/zinc/93/47/43/1037934743.db2.gz DGJIKGLYXXOKTD-UHFFFAOYSA-N 0 3 307.397 3.760 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)OC(F)(F)O2)c1cccc(C#N)c1 ZINC000586768796 1037957095 /nfs/dbraw/zinc/95/70/95/1037957095.db2.gz OADILJSOZMKPSC-LLVKDONJSA-N 0 3 316.307 3.731 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cnn2ccccc12 ZINC000586795095 1037974596 /nfs/dbraw/zinc/97/45/96/1037974596.db2.gz WEQHCJKTYOEVOW-IBGZPJMESA-N 0 3 316.408 3.763 20 30 DHEDHN O=C(Nc1cccc2ccccc21)N1CCC2SC(=O)C=C2C1 ZINC001188919076 1038006170 /nfs/dbraw/zinc/00/61/70/1038006170.db2.gz ZNSDOMFOBKMSEZ-INIZCTEOSA-N 0 3 324.405 3.646 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=CSc2ccccc2)nc(C)n1 ZINC000916880765 1038019569 /nfs/dbraw/zinc/01/95/69/1038019569.db2.gz XRUXQUULIMIWCL-HVHJFMEUSA-N 0 3 309.394 3.576 20 30 DHEDHN Cc1ccc(CC(=O)C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000775240106 1038133906 /nfs/dbraw/zinc/13/39/06/1038133906.db2.gz AXSGCDNNSJFCQF-AWEZNQCLSA-N 0 3 323.377 3.526 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001190458125 1038325096 /nfs/dbraw/zinc/32/50/96/1038325096.db2.gz XEMOKZYTXIFRMB-NEWSRXKRSA-N 0 3 301.430 3.641 20 30 DHEDHN N#CCCCCCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000588931841 1038408637 /nfs/dbraw/zinc/40/86/37/1038408637.db2.gz DRTIAARDUSXLPY-UHFFFAOYSA-N 0 3 313.445 3.589 20 30 DHEDHN C[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)C(F)(F)F ZINC000589317906 1038463397 /nfs/dbraw/zinc/46/33/97/1038463397.db2.gz VGROLIBKZLXTJZ-MRVPVSSYSA-N 0 3 310.241 3.865 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000589272790 1038456505 /nfs/dbraw/zinc/45/65/05/1038456505.db2.gz WREADEGWAYTRJJ-ZWKOTPCHSA-N 0 3 312.457 3.877 20 30 DHEDHN Cc1cnccc1OC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000589266839 1038456535 /nfs/dbraw/zinc/45/65/35/1038456535.db2.gz SZFLPYDHJJCSMR-UHFFFAOYSA-N 0 3 321.424 3.614 20 30 DHEDHN COc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1O ZINC000589343260 1038461910 /nfs/dbraw/zinc/46/19/10/1038461910.db2.gz FVYURLJVOMZNED-SJCJKPOMSA-N 0 3 308.381 3.611 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C(=O)N(C)C)cc1)c1cccc(C#N)c1 ZINC000589945420 1038561841 /nfs/dbraw/zinc/56/18/41/1038561841.db2.gz CNDULHVCTUIUIH-LSDHHAIUSA-N 0 3 321.424 3.672 20 30 DHEDHN C=C(CNCc1cc(OC)cc2c1O[C@H](C)C2)c1ccccc1 ZINC000590075640 1038576303 /nfs/dbraw/zinc/57/63/03/1038576303.db2.gz UVXQMRJQBRVMAU-OAHLLOKOSA-N 0 3 309.409 3.822 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nc(-c4ccccc4)no3)CC2)C1 ZINC000590158576 1038593240 /nfs/dbraw/zinc/59/32/40/1038593240.db2.gz SUOVWPZBUDTRLA-RHSMWYFYSA-N 0 3 322.412 3.608 20 30 DHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1Cl ZINC000057596463 1038687410 /nfs/dbraw/zinc/68/74/10/1038687410.db2.gz QBYNQPSZFNZXSG-ZDUSSCGKSA-N 0 3 300.789 3.941 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001192653150 1038687691 /nfs/dbraw/zinc/68/76/91/1038687691.db2.gz MJNAPTNXSXJTCG-CABCVRRESA-N 0 3 317.351 3.810 20 30 DHEDHN CCOc1cncc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000598645898 1038805789 /nfs/dbraw/zinc/80/57/89/1038805789.db2.gz PRYAMBORWZLJJW-LJQANCHMSA-N 0 3 307.397 3.519 20 30 DHEDHN CC(C)CCOc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598719134 1038850325 /nfs/dbraw/zinc/85/03/25/1038850325.db2.gz GLPAOCYGWCOLKJ-QGZVFWFLSA-N 0 3 318.461 3.502 20 30 DHEDHN CC[C@@H](NC1CCC(C)(C#N)CC1)c1nnc2n1CCCCC2 ZINC000573653203 1039030686 /nfs/dbraw/zinc/03/06/86/1039030686.db2.gz BIPYIOUIXHHEJT-SWKXRBFHSA-N 0 3 315.465 3.518 20 30 DHEDHN N#Cc1cnccc1CN(CCc1ccccc1)C1CCCC1 ZINC000592068096 1039116697 /nfs/dbraw/zinc/11/66/97/1039116697.db2.gz AYALUDPUIAGFNE-UHFFFAOYSA-N 0 3 305.425 3.941 20 30 DHEDHN C[C@@]1(Cc2ccc(F)cc2)CCCN1Cc1ccncc1C#N ZINC000592124726 1039122285 /nfs/dbraw/zinc/12/22/85/1039122285.db2.gz LHMFGGXDOMDBAV-IBGZPJMESA-N 0 3 309.388 3.690 20 30 DHEDHN N#CC1(C[C@@H](O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000599327235 1039122771 /nfs/dbraw/zinc/12/27/71/1039122771.db2.gz RAYDUTPKXBTUEJ-MOPGFXCFSA-N 0 3 324.399 3.559 20 30 DHEDHN N#Cc1cnccc1CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000592123663 1039123325 /nfs/dbraw/zinc/12/33/25/1039123325.db2.gz XUTBDLZSLYVXCM-AQNXPRMDSA-N 0 3 303.409 3.721 20 30 DHEDHN N#Cc1cnccc1CN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000592124880 1039124343 /nfs/dbraw/zinc/12/43/43/1039124343.db2.gz LPTBVSWGZDBCIU-LJQANCHMSA-N 0 3 303.409 3.723 20 30 DHEDHN COc1cccc(C[C@@H]2CCCN2Cc2ccccc2C#N)c1 ZINC000603867948 1039199563 /nfs/dbraw/zinc/19/95/63/1039199563.db2.gz GKACCOCKUFJTAB-IBGZPJMESA-N 0 3 306.409 3.774 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000605742850 1039743981 /nfs/dbraw/zinc/74/39/81/1039743981.db2.gz GJFJGTQPLLIJBD-INIZCTEOSA-N 0 3 310.441 3.915 20 30 DHEDHN CC(C)(C)C[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594427333 1039793051 /nfs/dbraw/zinc/79/30/51/1039793051.db2.gz IKGJQDDJNFDJFQ-SJORKVTESA-N 0 3 315.461 3.691 20 30 DHEDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(C#N)c1 ZINC000594495470 1039796082 /nfs/dbraw/zinc/79/60/82/1039796082.db2.gz ACCDVAUWGKTSSV-PXAZEXFGSA-N 0 3 307.353 3.805 20 30 DHEDHN Cn1ncc2ccc(CNCc3ccc(C(C)(C)C#N)cc3)cc21 ZINC000594518670 1039822941 /nfs/dbraw/zinc/82/29/41/1039822941.db2.gz KJHCELCJVNJIPM-UHFFFAOYSA-N 0 3 318.424 3.664 20 30 DHEDHN N#Cc1ccc(C2(NCc3n[nH]c4ccccc34)CCC2)cc1 ZINC000594517987 1039823680 /nfs/dbraw/zinc/82/36/80/1039823680.db2.gz FUGSCJUSRZPBOV-UHFFFAOYSA-N 0 3 302.381 3.604 20 30 DHEDHN N#Cc1ccc(C2(NCc3[nH]nc4ccccc43)CCC2)cc1 ZINC000594517987 1039823703 /nfs/dbraw/zinc/82/37/03/1039823703.db2.gz FUGSCJUSRZPBOV-UHFFFAOYSA-N 0 3 302.381 3.604 20 30 DHEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1 ZINC000594978352 1039952644 /nfs/dbraw/zinc/95/26/44/1039952644.db2.gz AAJCRPGYJRLACX-IBGZPJMESA-N 0 3 306.409 3.970 20 30 DHEDHN CN(C)c1ccccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594030972 1039959747 /nfs/dbraw/zinc/95/97/47/1039959747.db2.gz BTYAKISAKNOOSV-UHFFFAOYSA-N 0 3 305.425 3.793 20 30 DHEDHN C=CCCSCCN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000595060116 1040025807 /nfs/dbraw/zinc/02/58/07/1040025807.db2.gz RSLYTOIYESKHTI-LBPRGKRZSA-N 0 3 313.438 3.803 20 30 DHEDHN C[C@H](NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc(C#N)cc1F ZINC000595079323 1040072016 /nfs/dbraw/zinc/07/20/16/1040072016.db2.gz WFFHIPFWLBJMBI-WBAXXEDZSA-N 0 3 324.399 3.921 20 30 DHEDHN C[C@@H](CCc1n[nH]c2ccccc21)NCC1(C#N)CCCCC1 ZINC000595090601 1040075563 /nfs/dbraw/zinc/07/55/63/1040075563.db2.gz IUKSSOMDAWSIGS-HNNXBMFYSA-N 0 3 310.445 3.948 20 30 DHEDHN CN(CCc1ccc(C#N)cc1)Cc1ccc(Br)o1 ZINC000595287873 1040096278 /nfs/dbraw/zinc/09/62/78/1040096278.db2.gz OLZUINWENORLCB-UHFFFAOYSA-N 0 3 319.202 3.588 20 30 DHEDHN N#CC[C@H]1CCCN(CCc2cccc(OC(F)(F)F)c2)C1 ZINC000595619384 1040193662 /nfs/dbraw/zinc/19/36/62/1040193662.db2.gz ADCMENFPFRJLHN-CQSZACIVSA-N 0 3 312.335 3.753 20 30 DHEDHN N#CC[C@@H]1CCCN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000595615816 1040206350 /nfs/dbraw/zinc/20/63/50/1040206350.db2.gz UGZRAJTWMXXONO-KRWDZBQOSA-N 0 3 321.424 3.786 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCn2nccc21 ZINC000601321671 1040598834 /nfs/dbraw/zinc/59/88/34/1040598834.db2.gz TWMJJCFCBXEYLR-ROUUACIJSA-N 0 3 306.413 3.647 20 30 DHEDHN COc1cccc(CN(C)Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000596977358 1040611861 /nfs/dbraw/zinc/61/18/61/1040611861.db2.gz KIXQYUTWGWGBRN-UHFFFAOYSA-N 0 3 306.409 3.882 20 30 DHEDHN CN1CCN(Cc2ccc(C3(C#N)CC3)cc2)Cc2ccccc21 ZINC000596995517 1040627578 /nfs/dbraw/zinc/62/75/78/1040627578.db2.gz IXFNJHJZSYJPJQ-UHFFFAOYSA-N 0 3 317.436 3.694 20 30 DHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC1CCCC1 ZINC000064020873 1040647786 /nfs/dbraw/zinc/64/77/86/1040647786.db2.gz VDSPWNVRGLUQBI-GFCCVEGCSA-N 0 3 319.836 3.661 20 30 DHEDHN N#Cc1ccccc1OCCN(Cc1ccc(F)cc1)C1CC1 ZINC000060465657 1040661461 /nfs/dbraw/zinc/66/14/61/1040661461.db2.gz BAAGAUIZIAGXCQ-UHFFFAOYSA-N 0 3 310.372 3.741 20 30 DHEDHN CN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CCCc2ccccc21 ZINC000534333039 1040804983 /nfs/dbraw/zinc/80/49/83/1040804983.db2.gz GBRQPCDRYYDNQB-LJQANCHMSA-N 0 3 316.408 3.715 20 30 DHEDHN C=CCC[C@H](NCc1ccc(C(=O)OC)n1C)c1ccccc1 ZINC000602013766 1040850657 /nfs/dbraw/zinc/85/06/57/1040850657.db2.gz WPKNPFCZHYEAEO-KRWDZBQOSA-N 0 3 312.413 3.609 20 30 DHEDHN N#Cc1c(F)cccc1CNCC1(c2ccccc2)CCOCC1 ZINC000602004340 1040855232 /nfs/dbraw/zinc/85/52/32/1040855232.db2.gz LNJOBGJIGCBXBA-UHFFFAOYSA-N 0 3 324.399 3.535 20 30 DHEDHN C[C@H](CCC#N)CN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000602467566 1041046980 /nfs/dbraw/zinc/04/69/80/1041046980.db2.gz XMUQGKVXBAFPBI-RDTXWAMCSA-N 0 3 314.408 3.520 20 30 DHEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC1CCSCC1 ZINC000602485085 1041053141 /nfs/dbraw/zinc/05/31/41/1041053141.db2.gz PRSUFANFEJXOQD-MSOLQXFVSA-N 0 3 300.471 3.901 20 30 DHEDHN Cc1cc(CN2CC[C@H](O)C[C@@H]2c2ccccc2)ccc1C#N ZINC000602732235 1041185612 /nfs/dbraw/zinc/18/56/12/1041185612.db2.gz QXIDRZLUFXBNQM-VQTJNVASSA-N 0 3 306.409 3.565 20 30 DHEDHN N#Cc1ccc(CN(Cc2cccc3c2CCOC3)C2CC2)cc1 ZINC000602769158 1041209566 /nfs/dbraw/zinc/20/95/66/1041209566.db2.gz NLSCHQUPHXELMD-UHFFFAOYSA-N 0 3 318.420 3.796 20 30 DHEDHN COc1ccc2[nH]cc(C3=CCN(CC4(CC#N)CC4)CC3)c2c1 ZINC000602791230 1041242949 /nfs/dbraw/zinc/24/29/49/1041242949.db2.gz ONVINNVMDAPUSN-UHFFFAOYSA-N 0 3 321.424 3.959 20 30 DHEDHN CC1=Nc2ccccc2C12CCN(Cc1ccnc(C#N)c1)CC2 ZINC000602866302 1041293382 /nfs/dbraw/zinc/29/33/82/1041293382.db2.gz VVAZSYZGLFGDHV-UHFFFAOYSA-N 0 3 316.408 3.593 20 30 DHEDHN CCN(Cc1ccc(Cl)s1)C[C@@H](O)CC(C)(C)C#N ZINC000598584674 1041348348 /nfs/dbraw/zinc/34/83/48/1041348348.db2.gz RHUVSEAOFNGAMI-NSHDSACASA-N 0 3 300.855 3.524 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000280807495 334971099 /nfs/dbraw/zinc/97/10/99/334971099.db2.gz LNCUXHSJBBBCLM-XEZPLFJOSA-N 0 3 306.475 3.654 20 30 DHEDHN CC[C@H](c1ccncc1)N(C)CCCOc1cccc(C#N)c1 ZINC000092224537 193176395 /nfs/dbraw/zinc/17/63/95/193176395.db2.gz UZKYPQXWLVDBNE-LJQANCHMSA-N 0 3 309.413 3.805 20 30 DHEDHN N#Cc1ccc(CN(Cc2ccccc2)CC2CCOCC2)o1 ZINC000093342103 193235738 /nfs/dbraw/zinc/23/57/38/193235738.db2.gz PJTSNZSGGNRVGV-UHFFFAOYSA-N 0 3 310.397 3.580 20 30 DHEDHN C(#Cc1ccccc1)CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000192160773 335027036 /nfs/dbraw/zinc/02/70/36/335027036.db2.gz UTDCXOQJSDGXMR-CTNGQTDRSA-N 0 3 305.421 3.796 20 30 DHEDHN C=CCC[C@H](NC[C@H](O)c1ccccc1OC)c1ccco1 ZINC000285980816 335031401 /nfs/dbraw/zinc/03/14/01/335031401.db2.gz HPFBXMUTMDEFOE-HOTGVXAUSA-N 0 3 301.386 3.619 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000287652197 335048773 /nfs/dbraw/zinc/04/87/73/335048773.db2.gz VAPRQYONUIRWHE-ULQDDVLXSA-N 0 3 303.450 3.602 20 30 DHEDHN Cc1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C)c1 ZINC000328640967 257263572 /nfs/dbraw/zinc/26/35/72/257263572.db2.gz XRQZOBVNXKCGFO-HKUYNNGSSA-N 0 3 323.440 3.696 20 30 DHEDHN C=C[C@@H](CO)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000289670777 335062538 /nfs/dbraw/zinc/06/25/38/335062538.db2.gz HEZNFHYCMXPGNX-WFASDCNBSA-N 0 3 302.443 3.624 20 30 DHEDHN C#Cc1ccc(CN2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000289548003 335064350 /nfs/dbraw/zinc/06/43/50/335064350.db2.gz GBEFVZLPMSOPBT-UHFFFAOYSA-N 0 3 319.452 3.580 20 30 DHEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccncc1F ZINC000340201210 131148230 /nfs/dbraw/zinc/14/82/30/131148230.db2.gz XAPUHEGCWKVCCN-CYBMUJFWSA-N 0 3 315.417 3.676 20 30 DHEDHN C[C@@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000287019460 131259931 /nfs/dbraw/zinc/25/99/31/131259931.db2.gz LBJUYMVISYRACE-AUUYWEPGSA-N 0 3 311.404 3.651 20 30 DHEDHN CCN(C[C@@H](O)c1ccccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000299092944 132088334 /nfs/dbraw/zinc/08/83/34/132088334.db2.gz UNFORIFAEVOHRP-AUUYWEPGSA-N 0 3 312.388 3.814 20 30 DHEDHN C=C[C@@H](CO)N[C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000289766055 335065267 /nfs/dbraw/zinc/06/52/67/335065267.db2.gz LYDLGLABJLXOLR-YGRLFVJLSA-N 0 3 322.861 3.969 20 30 DHEDHN C=C(CNCc1ccc(COCCOC)cc1)c1ccccc1 ZINC000289709103 335066148 /nfs/dbraw/zinc/06/61/48/335066148.db2.gz LDGDDJSMFOUKHD-UHFFFAOYSA-N 0 3 311.425 3.653 20 30 DHEDHN C=C(C)CN1CCC(NCc2ccnc(Cl)c2Cl)CC1 ZINC000290904652 335077201 /nfs/dbraw/zinc/07/72/01/335077201.db2.gz OIVYKBANTBAKQF-UHFFFAOYSA-N 0 3 314.260 3.519 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cccc(C3CCC3)c2)CC1 ZINC000292035331 335085418 /nfs/dbraw/zinc/08/54/18/335085418.db2.gz LJDAKUMFKURFJT-UHFFFAOYSA-N 0 3 313.445 3.726 20 30 DHEDHN CN(C)[C@H](CNc1ccc2cc(C#N)ccc2n1)c1ccsc1 ZINC000540076991 435587312 /nfs/dbraw/zinc/58/73/12/435587312.db2.gz DMBYLRQPTSLQAQ-QGZVFWFLSA-N 0 3 322.437 3.883 20 30 DHEDHN C=CC[C@@H](CO)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000186702604 331468794 /nfs/dbraw/zinc/46/87/94/331468794.db2.gz WPZOYKYMKGKWPQ-ABAIWWIYSA-N 0 3 320.433 3.845 20 30 DHEDHN CC[C@H](CNCc1ccc(C#N)cc1F)Oc1cccc(C)c1 ZINC000533446172 331532287 /nfs/dbraw/zinc/53/22/87/331532287.db2.gz NOWXFRATCJVRTN-QGZVFWFLSA-N 0 3 312.388 3.953 20 30 DHEDHN C=CCCOCCN[C@H](C)c1ccc(F)c(Br)c1 ZINC000090883853 332053745 /nfs/dbraw/zinc/05/37/45/332053745.db2.gz MVLNZPWZPQXMAO-LLVKDONJSA-N 0 3 316.214 3.832 20 30 DHEDHN Cc1ccc(Br)cc1C([O-])=C(C#N)c1ccccn1 ZINC000091440416 332069019 /nfs/dbraw/zinc/06/90/19/332069019.db2.gz ZFWFLOLTRHWSKL-CYBMUJFWSA-N 0 3 315.170 3.643 20 30 DHEDHN Cc1ccc(Br)cc1C(=O)C(C#N)c1ccccn1 ZINC000091440416 332069021 /nfs/dbraw/zinc/06/90/21/332069021.db2.gz ZFWFLOLTRHWSKL-CYBMUJFWSA-N 0 3 315.170 3.643 20 30 DHEDHN C[NH+](C)C1CCN(c2ccc(/N=C/c3ccccc3[O-])cc2)CC1 ZINC000091515577 332107176 /nfs/dbraw/zinc/10/71/76/332107176.db2.gz VBHOVNCIVOXMQX-RCCKNPSSSA-N 0 3 323.440 3.673 20 30 DHEDHN C=CCN1CC[C@H](N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000410390796 332123191 /nfs/dbraw/zinc/12/31/91/332123191.db2.gz RRWZXPZOVNLSOD-ZQIUZPCESA-N 0 3 320.864 3.551 20 30 DHEDHN CC(C)(CCC#N)CN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000092968920 332132829 /nfs/dbraw/zinc/13/28/29/332132829.db2.gz YMXQNOPCKQYFMW-INIZCTEOSA-N 0 3 314.429 3.925 20 30 DHEDHN C[C@@H](c1cccc(F)c1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000159467391 332136684 /nfs/dbraw/zinc/13/66/84/332136684.db2.gz AYGCUMXYSXRCJV-INIZCTEOSA-N 0 3 317.452 3.834 20 30 DHEDHN C[C@H](c1cccc(F)c1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000159467515 332136722 /nfs/dbraw/zinc/13/67/22/332136722.db2.gz AYGCUMXYSXRCJV-MRXNPFEDSA-N 0 3 317.452 3.834 20 30 DHEDHN CCCCCN(CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000427019043 332164803 /nfs/dbraw/zinc/16/48/03/332164803.db2.gz GPIZWGULVBXBTE-UHFFFAOYSA-N 0 3 313.363 3.541 20 30 DHEDHN C=CCCCN[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000448026013 332193951 /nfs/dbraw/zinc/19/39/51/332193951.db2.gz GQTFAMDRAWQQOM-MSOLQXFVSA-N 0 3 321.486 3.636 20 30 DHEDHN CO[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000363684216 332220669 /nfs/dbraw/zinc/22/06/69/332220669.db2.gz GDWXNCQHNAINHU-INIZCTEOSA-N 0 3 311.347 3.558 20 30 DHEDHN C#CCCOc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000292897574 335097199 /nfs/dbraw/zinc/09/71/99/335097199.db2.gz ZOMWOWOIHIQFJF-DLBZAZTESA-N 0 3 305.368 3.566 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000152803851 332329356 /nfs/dbraw/zinc/32/93/56/332329356.db2.gz WEPIUCYRCQHFDB-NVXWUHKLSA-N 0 3 323.358 3.558 20 30 DHEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cccc(C#N)c1 ZINC000128562424 332500183 /nfs/dbraw/zinc/50/01/83/332500183.db2.gz OMSLTWSJEFXNJZ-UHFFFAOYSA-N 0 3 319.408 3.715 20 30 DHEDHN C[C@H]1Cc2ccccc2N1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000562095708 332545922 /nfs/dbraw/zinc/54/59/22/332545922.db2.gz JUSOVXLNQXFIQZ-MGPUTAFESA-N 0 3 317.436 3.586 20 30 DHEDHN CCS[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569813228 332681810 /nfs/dbraw/zinc/68/18/10/332681810.db2.gz AUJDTQPYTTUERN-GDBMZVCRSA-N 0 3 319.430 3.620 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(CC)c2)CC1 ZINC000181993772 333147978 /nfs/dbraw/zinc/14/79/78/333147978.db2.gz ICJBCKCMSZIKFJ-UHFFFAOYSA-N 0 3 315.461 3.719 20 30 DHEDHN CCOCc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181476514 333169627 /nfs/dbraw/zinc/16/96/27/333169627.db2.gz ZIVGJSRWYNVDQO-MRXNPFEDSA-N 0 3 324.424 3.976 20 30 DHEDHN COc1ccc([C@H](C)NCCCCC#N)c(Br)c1 ZINC000181683001 333171254 /nfs/dbraw/zinc/17/12/54/333171254.db2.gz MQXBQRSKGRAXOA-NSHDSACASA-N 0 3 311.223 3.802 20 30 DHEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000185768876 333213913 /nfs/dbraw/zinc/21/39/13/333213913.db2.gz KUMOHNRLMWXEAI-SUNYJGFJSA-N 0 3 311.429 3.768 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Br)c(F)c2)C1 ZINC000185815615 333214475 /nfs/dbraw/zinc/21/44/75/333214475.db2.gz ZJIGHFMMLAYVFL-ZYHUDNBSSA-N 0 3 311.198 3.760 20 30 DHEDHN COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1Br ZINC000185807941 333214616 /nfs/dbraw/zinc/21/46/16/333214616.db2.gz MYCDQPIVPUNFDQ-DGCLKSJQSA-N 0 3 323.234 3.630 20 30 DHEDHN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1Br ZINC000185807960 333214646 /nfs/dbraw/zinc/21/46/46/333214646.db2.gz MYCDQPIVPUNFDQ-YPMHNXCESA-N 0 3 323.234 3.630 20 30 DHEDHN CN(c1ccc(F)cc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388194291 333218199 /nfs/dbraw/zinc/21/81/99/333218199.db2.gz QDTRRIYDPDTMGQ-IBGZPJMESA-N 0 3 323.415 3.798 20 30 DHEDHN CC(C)(C#N)CCCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186490289 333219724 /nfs/dbraw/zinc/21/97/24/333219724.db2.gz OITMIDONDJOEFO-UHFFFAOYSA-N 0 3 322.399 3.578 20 30 DHEDHN CCN(CC1CCN([C@H](C)CCC#N)CC1)C(=O)OC(C)(C)C ZINC000497232516 333225744 /nfs/dbraw/zinc/22/57/44/333225744.db2.gz MCDHCRMTOLONQR-OAHLLOKOSA-N 0 3 323.481 3.648 20 30 DHEDHN CC1(C)[C@H](C(F)(F)F)CCN1CCOc1ccc(C#N)cc1 ZINC000318980989 333238225 /nfs/dbraw/zinc/23/82/25/333238225.db2.gz IMUVUVKEBIYUFJ-CQSZACIVSA-N 0 3 312.335 3.600 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000364338203 333291057 /nfs/dbraw/zinc/29/10/57/333291057.db2.gz OTMBUVCKWNJYEU-HXUWFJFHSA-N 0 3 304.393 3.580 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000192683960 333291372 /nfs/dbraw/zinc/29/13/72/333291372.db2.gz FKNNXGCCLLJIIE-FUHWJXTLSA-N 0 3 312.461 3.634 20 30 DHEDHN N#C[C@H]1CCC[C@H](NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000192879279 333294685 /nfs/dbraw/zinc/29/46/85/333294685.db2.gz RPHWOHQHUAIWIV-NZVBXONLSA-N 0 3 313.228 3.699 20 30 DHEDHN C=CCOc1ccccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000185421136 335133425 /nfs/dbraw/zinc/13/34/25/335133425.db2.gz VEQKQBKCUNZWES-CQSZACIVSA-N 0 3 313.397 3.816 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000188471575 333367747 /nfs/dbraw/zinc/36/77/47/333367747.db2.gz MJCPWTXLHDZCGS-YLJYHZDGSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCN(CCOCC(F)(F)C(F)F)Cc1ccccc1 ZINC000188618837 333380562 /nfs/dbraw/zinc/38/05/62/333380562.db2.gz NQBIIZNHEZFVHV-UHFFFAOYSA-N 0 3 305.315 3.592 20 30 DHEDHN N#CCCCOc1cccc(CN[C@@H]2CCC[C@@H]2OC(F)F)c1 ZINC000337308465 333445722 /nfs/dbraw/zinc/44/57/22/333445722.db2.gz SURGZZWDDLKCSP-CVEARBPZSA-N 0 3 324.371 3.619 20 30 DHEDHN N#CC1(CCN2CCC(Oc3ccccn3)CC2)CCCCC1 ZINC000411371900 333662575 /nfs/dbraw/zinc/66/25/75/333662575.db2.gz AZSILCMAAVPPBA-UHFFFAOYSA-N 0 3 313.445 3.789 20 30 DHEDHN CC(C)(CC#N)CN[C@H]1CCc2cc(Br)ccc21 ZINC000414167549 333916872 /nfs/dbraw/zinc/91/68/72/333916872.db2.gz PJKBXNPQOCGFMT-AWEZNQCLSA-N 0 3 307.235 3.966 20 30 DHEDHN Cc1ccc([C@H](CNc2nccc(C)c2C#N)N2CCCC2)cc1 ZINC000343503411 335170094 /nfs/dbraw/zinc/17/00/94/335170094.db2.gz AWYCAOVDGZBHAR-IBGZPJMESA-N 0 3 320.440 3.819 20 30 DHEDHN N#CCCCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000273065579 334042824 /nfs/dbraw/zinc/04/28/24/334042824.db2.gz NIMZVDSCJDTEAL-UHFFFAOYSA-N 0 3 305.381 3.531 20 30 DHEDHN N#CCCCN[C@H]1CCCOc2ccc(Br)cc21 ZINC000273262226 334044734 /nfs/dbraw/zinc/04/47/34/334044734.db2.gz NARSPPCHTCQIQD-ZDUSSCGKSA-N 0 3 309.207 3.556 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000278503909 334097039 /nfs/dbraw/zinc/09/70/39/334097039.db2.gz AQUAOSDCGLTMIT-FSPWUOQZSA-N 0 3 318.848 3.778 20 30 DHEDHN CC(C)[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279301947 334107497 /nfs/dbraw/zinc/10/74/97/334107497.db2.gz MERGIYHOYAXGES-QYZOEREBSA-N 0 3 323.440 3.572 20 30 DHEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCCCC1 ZINC000279299291 334107543 /nfs/dbraw/zinc/10/75/43/334107543.db2.gz LYDVPCFMLJQCRY-SFHVURJKSA-N 0 3 323.440 3.812 20 30 DHEDHN CC(C)C[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280228168 334115598 /nfs/dbraw/zinc/11/55/98/334115598.db2.gz VYRMORAXNYLAOW-RTBURBONSA-N 0 3 323.440 3.525 20 30 DHEDHN CCC[C@]1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280540707 334118138 /nfs/dbraw/zinc/11/81/38/334118138.db2.gz ZEGHCLWXIZVZDM-UYAOXDASSA-N 0 3 323.440 3.669 20 30 DHEDHN N#CC1CCC(CNCc2sccc2Br)CC1 ZINC000281696592 334127825 /nfs/dbraw/zinc/12/78/25/334127825.db2.gz NKTLURBUVWTBFC-UHFFFAOYSA-N 0 3 313.264 3.930 20 30 DHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(OCC2CC2)c(F)c1 ZINC000282243986 334132741 /nfs/dbraw/zinc/13/27/41/334132741.db2.gz JERUVDHTBJLBSP-BJJXKVORSA-N 0 3 302.393 3.957 20 30 DHEDHN COCC[C@H](NCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000284919325 334145056 /nfs/dbraw/zinc/14/50/56/334145056.db2.gz VRXHYDFXBRROOI-AWEZNQCLSA-N 0 3 301.217 3.964 20 30 DHEDHN COc1ccc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)c(C)c1OC ZINC000287053971 334156196 /nfs/dbraw/zinc/15/61/96/334156196.db2.gz NCLNMALIHFZDDV-SOUVJXGZSA-N 0 3 302.418 3.745 20 30 DHEDHN Cc1nc2ccc(Br)cc2c(NCCCC#N)c1C ZINC000343591298 335180104 /nfs/dbraw/zinc/18/01/04/335180104.db2.gz BBZQJBLYONHUIV-UHFFFAOYSA-N 0 3 318.218 3.752 20 30 DHEDHN C#C[C@@H](NCc1cn(CCC#N)nc1-c1ccccc1)C(C)(C)C ZINC000290127682 334171114 /nfs/dbraw/zinc/17/11/14/334171114.db2.gz JKCDCYHPULXBHI-GOSISDBHSA-N 0 3 320.440 3.601 20 30 DHEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1F ZINC000290406319 334172738 /nfs/dbraw/zinc/17/27/38/334172738.db2.gz TYBLGLDHURPYCI-SCVCMEIPSA-N 0 3 311.198 3.931 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC000293477744 334198336 /nfs/dbraw/zinc/19/83/36/334198336.db2.gz MECJAPVNUUKLGH-OCCSQVGLSA-N 0 3 306.356 3.500 20 30 DHEDHN Cn1ncc2c1CCC[C@H]2N[C@H](CCCC#N)c1ccccc1 ZINC000340444787 334203600 /nfs/dbraw/zinc/20/36/00/334203600.db2.gz JPLAVDMUWBVNFE-QZTJIDSGSA-N 0 3 308.429 3.822 20 30 DHEDHN Cn1ncc2c1CCC[C@H]2N[C@@H](CCCC#N)c1ccccc1 ZINC000340444789 334203715 /nfs/dbraw/zinc/20/37/15/334203715.db2.gz JPLAVDMUWBVNFE-ZWKOTPCHSA-N 0 3 308.429 3.822 20 30 DHEDHN N#C[C@H]1CC[C@@H](N2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000297933667 334245039 /nfs/dbraw/zinc/24/50/39/334245039.db2.gz RJFSFICBQSEJIM-FUHWJXTLSA-N 0 3 317.864 3.540 20 30 DHEDHN C[C@H](CCC#N)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000297962748 334245224 /nfs/dbraw/zinc/24/52/24/334245224.db2.gz UOXZEMPPWMLHTO-OAHLLOKOSA-N 0 3 305.853 3.540 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000299358763 334255029 /nfs/dbraw/zinc/25/50/29/334255029.db2.gz CPCYKRVRKDJTTI-MRXNPFEDSA-N 0 3 323.440 3.896 20 30 DHEDHN CC(C)N(CCOc1ccc(C#N)cc1)Cc1cccs1 ZINC000049028808 334309266 /nfs/dbraw/zinc/30/92/66/334309266.db2.gz UZGBWPKONPEMMT-UHFFFAOYSA-N 0 3 300.427 3.909 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000121108314 334341173 /nfs/dbraw/zinc/34/11/73/334341173.db2.gz NOVXLROJSARBRK-MRXNPFEDSA-N 0 3 315.461 3.512 20 30 DHEDHN CC[C@@H](C)N[C@H](CNc1cccc(F)c1C#N)c1ccco1 ZINC000343251284 334807234 /nfs/dbraw/zinc/80/72/34/334807234.db2.gz OCQRCZNLSIFQCU-MLGOLLRUSA-N 0 3 301.365 3.832 20 30 DHEDHN CC(C)(C)[C@H](C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331359207 334858185 /nfs/dbraw/zinc/85/81/85/334858185.db2.gz WEOPPOAHEDBPEM-KRWDZBQOSA-N 0 3 313.445 3.915 20 30 DHEDHN CC[C@@H](C)N[C@H](CNc1c(C#N)cccc1C#N)c1ccco1 ZINC000343272996 334896905 /nfs/dbraw/zinc/89/69/05/334896905.db2.gz QMNRVBFDPNSHBT-CZUORRHYSA-N 0 3 308.385 3.564 20 30 DHEDHN C[C@H](NC[C@]1(C)CCO[C@@H]1C1CC1)c1ccc(C#N)cc1F ZINC000344130267 335219958 /nfs/dbraw/zinc/21/99/58/335219958.db2.gz LOZGEWHJGZRKNX-RZAIGCCYSA-N 0 3 302.393 3.553 20 30 DHEDHN Cc1ccc(CNC2CCC(Oc3ccccc3C#N)CC2)o1 ZINC000344510161 335257448 /nfs/dbraw/zinc/25/74/48/335257448.db2.gz CNVIMDLKSXKCIK-UHFFFAOYSA-N 0 3 310.397 3.940 20 30 DHEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C(C)C#N ZINC000345456316 335326723 /nfs/dbraw/zinc/32/67/23/335326723.db2.gz WQLSTAHZAKYFFJ-AAEUAGOBSA-N 0 3 313.426 3.798 20 30 DHEDHN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)C(C)C#N)cc1 ZINC000345625903 335337731 /nfs/dbraw/zinc/33/77/31/335337731.db2.gz JPWMAVJWYSFREW-HNAYVOBHSA-N 0 3 321.424 3.742 20 30 DHEDHN C[C@H](NCc1ccccc1-n1ccnc1)c1ccc(C#N)c(F)c1 ZINC000346137724 335379968 /nfs/dbraw/zinc/37/99/68/335379968.db2.gz MEVSEVSTYANIAR-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN C[C@H](NCc1ccc(-n2cccn2)cc1)c1ccc(C#N)c(F)c1 ZINC000346142248 335381036 /nfs/dbraw/zinc/38/10/36/335381036.db2.gz XFWDBHIVVFPRND-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN COC[C@H](NCCc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000583595030 335753450 /nfs/dbraw/zinc/75/34/50/335753450.db2.gz YWKZZRPJOPLMGK-SFHVURJKSA-N 0 3 314.816 3.731 20 30 DHEDHN COc1ccc(CN(Cc2cc(C#N)n(C)c2)C(C)(C)C)cc1 ZINC000520660154 336002865 /nfs/dbraw/zinc/00/28/65/336002865.db2.gz HBIIYTRNOROQOR-UHFFFAOYSA-N 0 3 311.429 3.706 20 30 DHEDHN COc1cc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)ccc1C#N ZINC000583630897 336007873 /nfs/dbraw/zinc/00/78/73/336007873.db2.gz YJMXSGHSVZUVLJ-UONOGXRCSA-N 0 3 312.335 3.778 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000351096827 336013278 /nfs/dbraw/zinc/01/32/78/336013278.db2.gz HRMBIGUNCURXMQ-IBGZPJMESA-N 0 3 312.457 3.708 20 30 DHEDHN C[C@H](CCC#N)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000351607124 336049713 /nfs/dbraw/zinc/04/97/13/336049713.db2.gz HUHHTMGDPSNUAO-QGZVFWFLSA-N 0 3 307.441 3.650 20 30 DHEDHN N#CCCCN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000351830099 336071196 /nfs/dbraw/zinc/07/11/96/336071196.db2.gz QKNCEOHCOKKBAY-UHFFFAOYSA-N 0 3 315.505 3.514 20 30 DHEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000329813774 336085313 /nfs/dbraw/zinc/08/53/13/336085313.db2.gz CWMVTLMUUHAPHU-VNHYZAJKSA-N 0 3 315.417 3.591 20 30 DHEDHN CC(C)c1ccccc1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330205625 336124359 /nfs/dbraw/zinc/12/43/59/336124359.db2.gz CPYSRPVXTVYQOA-MORSLUCNSA-N 0 3 316.445 3.944 20 30 DHEDHN CC(C)[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332670459 336178256 /nfs/dbraw/zinc/17/82/56/336178256.db2.gz QKUXRQRSKQBXIT-DLBZAZTESA-N 0 3 324.428 3.913 20 30 DHEDHN CCOc1cc2c(cc1CN[C@@H]1CCC[C@@H](C#N)C1)O[C@H](C)C2 ZINC000192617892 336195991 /nfs/dbraw/zinc/19/59/91/336195991.db2.gz PRPGEIGSORJJPY-CKEIUWERSA-N 0 3 314.429 3.581 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000103499566 336242037 /nfs/dbraw/zinc/24/20/37/336242037.db2.gz KLDFYZNIFJCGOC-KBPBESRZSA-N 0 3 306.475 3.528 20 30 DHEDHN CCC(CC)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000532528700 336253673 /nfs/dbraw/zinc/25/36/73/336253673.db2.gz YOIOZXLHSMVMHG-UHFFFAOYSA-N 0 3 319.836 3.803 20 30 DHEDHN COc1ccc(CN2CC[C@](C)(c3ccccc3)C2)cc1C#N ZINC000532745085 336269245 /nfs/dbraw/zinc/26/92/45/336269245.db2.gz HTMXBSBNTPVUFF-FQEVSTJZSA-N 0 3 306.409 3.730 20 30 DHEDHN COc1ccccc1[C@H](CNc1ccc(C#N)cc1)N1CCCC1 ZINC000301056403 336287554 /nfs/dbraw/zinc/28/75/54/336287554.db2.gz BAHGQFCWCVKUAE-IBGZPJMESA-N 0 3 321.424 3.816 20 30 DHEDHN C[C@H](CNc1cccc(F)c1C#N)N1CCc2ccccc2C1 ZINC000301094240 336289654 /nfs/dbraw/zinc/28/96/54/336289654.db2.gz NVKIXBYEBHRTFQ-CQSZACIVSA-N 0 3 309.388 3.556 20 30 DHEDHN CCN(CC)[C@@H](CNc1ccc(C)c(C#N)n1)c1ccsc1 ZINC000302681266 336364797 /nfs/dbraw/zinc/36/47/97/336364797.db2.gz WXRQHTYCJAGLGA-INIZCTEOSA-N 0 3 314.458 3.818 20 30 DHEDHN N#Cc1cccc(C#N)c1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000302819460 336370387 /nfs/dbraw/zinc/37/03/87/336370387.db2.gz CQKPLYVURONIKW-IBGZPJMESA-N 0 3 316.408 3.506 20 30 DHEDHN C[C@H]1C[C@H](Nc2c(C#N)cccc2C#N)CN1Cc1ccccc1 ZINC000302898413 336373727 /nfs/dbraw/zinc/37/37/27/336373727.db2.gz RTCGRLZDLMZRRC-KXBFYZLASA-N 0 3 316.408 3.505 20 30 DHEDHN C=C(C)CN(CCCc1ccncc1)Cc1cnn(C(C)C)c1 ZINC000352899752 336375205 /nfs/dbraw/zinc/37/52/05/336375205.db2.gz DIUUUYCKYXSKRS-UHFFFAOYSA-N 0 3 312.461 3.870 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccc(COC)cc2)cc1 ZINC000113318325 336400694 /nfs/dbraw/zinc/40/06/94/336400694.db2.gz NTRBSLPJHDDGFS-UHFFFAOYSA-N 0 3 309.409 3.525 20 30 DHEDHN COc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000353420857 336416991 /nfs/dbraw/zinc/41/69/91/336416991.db2.gz VOMMBSVGPOKWDE-UHFFFAOYSA-N 0 3 322.408 3.610 20 30 DHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2n[nH]cc2c1 ZINC000353592428 336427326 /nfs/dbraw/zinc/42/73/26/336427326.db2.gz AVTFBSOPPCOYJH-HXPMCKFVSA-N 0 3 302.381 3.773 20 30 DHEDHN CNC(=O)c1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000353913171 336447719 /nfs/dbraw/zinc/44/77/19/336447719.db2.gz HJKVLINXVFWMKL-IBGZPJMESA-N 0 3 321.424 3.571 20 30 DHEDHN COc1cc(CNCCSCc2ccccc2)ccc1C#N ZINC000356375563 336547791 /nfs/dbraw/zinc/54/77/91/336547791.db2.gz YELUKKSMDAYWLH-UHFFFAOYSA-N 0 3 312.438 3.590 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccsc1)C(C)C ZINC000356580208 336555184 /nfs/dbraw/zinc/55/51/84/336555184.db2.gz NEHJBCOPGXXVMD-HNNXBMFYSA-N 0 3 307.463 3.568 20 30 DHEDHN C=C(C)CN1CCC(Nc2ncnc3sc(C)c(C)c32)CC1 ZINC000357947058 336604138 /nfs/dbraw/zinc/60/41/38/336604138.db2.gz QCVFJYGYTCPCBB-UHFFFAOYSA-N 0 3 316.474 3.761 20 30 DHEDHN CC[C@H](C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)N(CC)CC ZINC000359292435 336666063 /nfs/dbraw/zinc/66/60/63/336666063.db2.gz OQDRBISAFMRSDF-CRAIPNDOSA-N 0 3 315.461 3.588 20 30 DHEDHN C#CCOc1ccc(CN[C@H]2CCCc3cnn(C(C)C)c32)cc1 ZINC000368149960 336839590 /nfs/dbraw/zinc/83/95/90/336839590.db2.gz KGMKTRQLXHXDQN-IBGZPJMESA-N 0 3 323.440 3.643 20 30 DHEDHN C[C@H](N[C@@H](C)[C@H]1OCCc2sccc21)c1ccc(C#N)cc1 ZINC000368157063 336839622 /nfs/dbraw/zinc/83/96/22/336839622.db2.gz VLDYJNQHBUDJAE-ZJNRKIDTSA-N 0 3 312.438 3.973 20 30 DHEDHN Cc1cccc2ncc(CN[C@H]3CCCc4cc(C#N)ccc43)n21 ZINC000418137762 336897388 /nfs/dbraw/zinc/89/73/88/336897388.db2.gz CDVSMQAHWDAPRJ-IBGZPJMESA-N 0 3 316.408 3.682 20 30 DHEDHN N#CCCCN1CCC(c2nc3cc(F)ccc3s2)CC1 ZINC000372705501 336937877 /nfs/dbraw/zinc/93/78/77/336937877.db2.gz UYEKZHXFJPRQKM-UHFFFAOYSA-N 0 3 303.406 3.919 20 30 DHEDHN C=CCOc1cccc(CN2CCC(c3c[nH]nc3C)CC2)c1 ZINC000375268321 337006895 /nfs/dbraw/zinc/00/68/95/337006895.db2.gz MTRRKVSBDMRKSZ-UHFFFAOYSA-N 0 3 311.429 3.663 20 30 DHEDHN N#CCc1ccc(CNCc2ccc3c(c2)OCCCCO3)cc1 ZINC000583692994 337011988 /nfs/dbraw/zinc/01/19/88/337011988.db2.gz TYRLGVVNWALODY-UHFFFAOYSA-N 0 3 322.408 3.594 20 30 DHEDHN N#CC1(CCCN2CC=C(c3cccs3)CC2)CCOCC1 ZINC000375594579 337014110 /nfs/dbraw/zinc/01/41/10/337014110.db2.gz DMQLSYVWOPEZEE-UHFFFAOYSA-N 0 3 316.470 3.938 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000376956902 337044113 /nfs/dbraw/zinc/04/41/13/337044113.db2.gz TYTGXMDUBCZESY-LUQKVYGDSA-N 0 3 321.420 3.570 20 30 DHEDHN CN1CCC[C@@H](CNc2cnccc2C#N)[C@H]1c1cccs1 ZINC000378374659 337071238 /nfs/dbraw/zinc/07/12/38/337071238.db2.gz YTMVIJZDIXOQHV-YOEHRIQHSA-N 0 3 312.442 3.510 20 30 DHEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000176129517 337150348 /nfs/dbraw/zinc/15/03/48/337150348.db2.gz DGHOPYOZSOBINT-WMZOPIPTSA-N 0 3 300.446 3.512 20 30 DHEDHN Cn1cc(CN2CCCC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179944179 337172717 /nfs/dbraw/zinc/17/27/17/337172717.db2.gz XLMMOOFZJZDAMF-UHFFFAOYSA-N 0 3 308.429 3.581 20 30 DHEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ncc(C#N)cc1Cl ZINC000180346500 337173816 /nfs/dbraw/zinc/17/38/16/337173816.db2.gz BCQCEUSJBRKSBO-CYBMUJFWSA-N 0 3 314.820 3.539 20 30 DHEDHN Cc1scc(C(=O)C(C#N)c2nc3ccccc3n2C)c1C ZINC000180731537 337177569 /nfs/dbraw/zinc/17/75/69/337177569.db2.gz CBQCTMVLSLRCGH-GFCCVEGCSA-N 0 3 309.394 3.742 20 30 DHEDHN C=C(C)CN(C)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000181047703 337179508 /nfs/dbraw/zinc/17/95/08/337179508.db2.gz XUHIHYFBSRQFOM-UHFFFAOYSA-N 0 3 312.413 3.677 20 30 DHEDHN CC[C@]1(CNCc2cc(C#N)cs2)OCCc2ccccc21 ZINC000582933937 337216071 /nfs/dbraw/zinc/21/60/71/337216071.db2.gz SCURYIQNHIEGQO-GOSISDBHSA-N 0 3 312.438 3.588 20 30 DHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCCCC#N ZINC000185937312 337251753 /nfs/dbraw/zinc/25/17/53/337251753.db2.gz VIFLXGGSXLEZRP-PMPSAXMXSA-N 0 3 306.450 3.655 20 30 DHEDHN COc1ccc2c(c1)CCC[C@H]2NCc1ccc(CC#N)cc1 ZINC000583203827 337269813 /nfs/dbraw/zinc/26/98/13/337269813.db2.gz VPSGMGWYLSHKIL-HXUWFJFHSA-N 0 3 306.409 3.928 20 30 DHEDHN Cn1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)cc1C#N ZINC000191204480 337294873 /nfs/dbraw/zinc/29/48/73/337294873.db2.gz PKNXFGAZLGOWLU-UHFFFAOYSA-N 0 3 318.424 3.758 20 30 DHEDHN N#Cc1ccc(CN[C@@H](CN2CCCC2)c2ccccc2)cc1F ZINC000192150349 337303384 /nfs/dbraw/zinc/30/33/84/337303384.db2.gz HFQBDHJTLVAEJS-FQEVSTJZSA-N 0 3 323.415 3.624 20 30 DHEDHN Cc1nccn1-c1ccc([C@@H](C)NCC#Cc2ccccc2)cc1 ZINC000192161122 337303535 /nfs/dbraw/zinc/30/35/35/337303535.db2.gz PVFRDVQWJOGPKQ-QGZVFWFLSA-N 0 3 315.420 3.883 20 30 DHEDHN N#Cc1cccc(CNCc2ccc(Br)cc2)c1 ZINC000037493065 337395558 /nfs/dbraw/zinc/39/55/58/337395558.db2.gz GVMIOBVNEOLOCF-UHFFFAOYSA-N 0 3 301.187 3.611 20 30 DHEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000425234285 337441946 /nfs/dbraw/zinc/44/19/46/337441946.db2.gz HKTQIGXFGBHPTM-AWEZNQCLSA-N 0 3 324.403 3.730 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000161998207 337601651 /nfs/dbraw/zinc/60/16/51/337601651.db2.gz NTGOEKWTCFIALS-GXTWGEPZSA-N 0 3 300.299 3.908 20 30 DHEDHN N=C(NC[C@H]1CCC2(CCCCC2)O1)Nc1cc(F)ccc1F ZINC000262275800 337616330 /nfs/dbraw/zinc/61/63/30/337616330.db2.gz JKEOOURMYIAEJT-CYBMUJFWSA-N 0 3 323.387 3.573 20 30 DHEDHN C#CC[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000271466127 337644156 /nfs/dbraw/zinc/64/41/56/337644156.db2.gz HWRYIHSDUNBESH-WQFQCULDSA-N 0 3 311.450 3.839 20 30 DHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1SC1CCCC1 ZINC000424096470 337733479 /nfs/dbraw/zinc/73/34/79/337733479.db2.gz XXHFZUZNBJKMNZ-CQSZACIVSA-N 0 3 317.458 3.681 20 30 DHEDHN CCCCN(C(=O)[C@@H](N)CCCC#N)[C@H](CC)c1ccccc1 ZINC000424145419 337770318 /nfs/dbraw/zinc/77/03/18/337770318.db2.gz UUBIMSOXTGSWAQ-ZWKOTPCHSA-N 0 3 315.461 3.788 20 30 DHEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527900476 337772749 /nfs/dbraw/zinc/77/27/49/337772749.db2.gz DAOJIRZUYPPAFO-ZOBUZTSGSA-N 0 3 308.429 3.820 20 30 DHEDHN CO[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000515256591 337983775 /nfs/dbraw/zinc/98/37/75/337983775.db2.gz HSMQRVUEASDPBO-AWEZNQCLSA-N 0 3 314.351 3.728 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000516301088 338010159 /nfs/dbraw/zinc/01/01/59/338010159.db2.gz JMLKVQDSMVYVJP-GOEBONIOSA-N 0 3 322.880 3.704 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000516301085 338010172 /nfs/dbraw/zinc/01/01/72/338010172.db2.gz JMLKVQDSMVYVJP-GDBMZVCRSA-N 0 3 322.880 3.704 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCN(c3ccccc3F)C1)CC2 ZINC000426301544 338025656 /nfs/dbraw/zinc/02/56/56/338025656.db2.gz NMRCCTWYVDSEFO-LPHOPBHVSA-N 0 3 321.399 3.553 20 30 DHEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CC1(C)C ZINC000426542248 338034483 /nfs/dbraw/zinc/03/44/83/338034483.db2.gz DOFWNKBGFOVKPO-KRWDZBQOSA-N 0 3 308.429 3.694 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1nc(-c2ccccc2)oc1C ZINC000429701465 338087802 /nfs/dbraw/zinc/08/78/02/338087802.db2.gz LEQPTGVSOQERER-UHFFFAOYSA-N 0 3 313.445 3.590 20 30 DHEDHN C[C@@]12CCN(Cc3cccc(OCCCC#N)c3)C[C@@H]1C2(F)F ZINC000430093706 338096076 /nfs/dbraw/zinc/09/60/76/338096076.db2.gz GZAZUIBBWMSPCL-DLBZAZTESA-N 0 3 320.383 3.846 20 30 DHEDHN N#CCC1(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000430740870 338112988 /nfs/dbraw/zinc/11/29/88/338112988.db2.gz QUAFBNGRGKHUCT-CQSZACIVSA-N 0 3 309.335 3.761 20 30 DHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(Br)c(F)c1 ZINC000430745411 338113258 /nfs/dbraw/zinc/11/32/58/338113258.db2.gz ZCDOLIPKXGABMM-JTQLQIEISA-N 0 3 311.198 3.933 20 30 DHEDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@H](c1ccccc1)N(C)C ZINC000432152863 338147284 /nfs/dbraw/zinc/14/72/84/338147284.db2.gz LERLOIASOMNVQA-SCLBCKFNSA-N 0 3 324.384 3.570 20 30 DHEDHN C=CCc1cc(CN2CC3(CCC3)C[C@H]2C)cc(OC)c1O ZINC000433020042 338176559 /nfs/dbraw/zinc/17/65/59/338176559.db2.gz AXJYWEYVLCGZPJ-CQSZACIVSA-N 0 3 301.430 3.894 20 30 DHEDHN CN(Cc1ccc(F)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433110604 338182042 /nfs/dbraw/zinc/18/20/42/338182042.db2.gz BHRNWEGARLGNKM-KRWDZBQOSA-N 0 3 310.372 3.557 20 30 DHEDHN Cc1ccccc1[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433120282 338182301 /nfs/dbraw/zinc/18/23/01/338182301.db2.gz JPTPSERRBZZEEG-AEFFLSMTSA-N 0 3 306.409 3.945 20 30 DHEDHN CN(C)[C@@H]1CCOc2c(NCC(C)(C)CCC#N)cccc21 ZINC000433183748 338184586 /nfs/dbraw/zinc/18/45/86/338184586.db2.gz SSPHQWJLTNMIET-MRXNPFEDSA-N 0 3 301.434 3.814 20 30 DHEDHN CC(C)N(Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(C#N)cc1 ZINC000435137449 338233202 /nfs/dbraw/zinc/23/32/02/338233202.db2.gz MBMJHIODBVGWCD-UHFFFAOYSA-N 0 3 320.396 3.952 20 30 DHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc2ccc(F)cc2s1 ZINC000435732961 338246876 /nfs/dbraw/zinc/24/68/76/338246876.db2.gz SMYOULSLRXCMBH-MEDUHNTESA-N 0 3 306.406 3.506 20 30 DHEDHN C[C@@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ccco1 ZINC000437081080 338299704 /nfs/dbraw/zinc/29/97/04/338299704.db2.gz WXTBQDUSPBCQRG-IUDNXUCKSA-N 0 3 311.385 3.587 20 30 DHEDHN CCS[C@@H]1CCCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000437365405 338308063 /nfs/dbraw/zinc/30/80/63/338308063.db2.gz QQMLVUZENNLLAO-MRXNPFEDSA-N 0 3 304.459 3.674 20 30 DHEDHN CC(C#N)C(=O)N1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000438173864 338334797 /nfs/dbraw/zinc/33/47/97/338334797.db2.gz DCAUDSBOWPJDPI-GYSYKLTISA-N 0 3 310.319 3.775 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](C(C)C)C1 ZINC000438486380 338345896 /nfs/dbraw/zinc/34/58/96/338345896.db2.gz PELNVWNFNBPHIS-HZPDHXFCSA-N 0 3 320.502 3.629 20 30 DHEDHN C=CCOc1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000440122930 338383604 /nfs/dbraw/zinc/38/36/04/338383604.db2.gz ZEHMPYMPRCUHJL-GOSISDBHSA-N 0 3 314.429 3.597 20 30 DHEDHN C=C[C@H](C)N[C@H](C)c1ccc(I)cc1 ZINC000157284661 338419525 /nfs/dbraw/zinc/41/95/25/338419525.db2.gz SBPRNQHECXXVSP-VHSXEESVSA-N 0 3 301.171 3.516 20 30 DHEDHN CC[C@@H](N[C@H](CO)c1sccc1C)c1ccc(C#N)cc1 ZINC000447585350 338559466 /nfs/dbraw/zinc/55/94/66/338559466.db2.gz JSPYIABFDZTVEM-HZPDHXFCSA-N 0 3 300.427 3.703 20 30 DHEDHN C=CCCCC[C@H](C)NCc1ccc(S(=O)(=O)CC)s1 ZINC000449293317 338610190 /nfs/dbraw/zinc/61/01/90/338610190.db2.gz HBLNJMXTBCGPLX-ZDUSSCGKSA-N 0 3 315.504 3.766 20 30 DHEDHN COCC1(C#N)CCN(Cc2cccc3c(OC)cccc23)CC1 ZINC000449310462 338611637 /nfs/dbraw/zinc/61/16/37/338611637.db2.gz GUWMNDPVQFXDBM-UHFFFAOYSA-N 0 3 324.424 3.601 20 30 DHEDHN C=CC[C@H](C)[C@@H](C)NCc1nc(C)c(Br)s1 ZINC000449402776 338621205 /nfs/dbraw/zinc/62/12/05/338621205.db2.gz SKOXXZGVBUBXKD-DTWKUNHWSA-N 0 3 303.269 3.904 20 30 DHEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@H](c2cccnc2)C1 ZINC000449539809 338635829 /nfs/dbraw/zinc/63/58/29/338635829.db2.gz WYDGDSIPCUAHDA-ICSRJNTNSA-N 0 3 324.424 3.656 20 30 DHEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000449539891 338635854 /nfs/dbraw/zinc/63/58/54/338635854.db2.gz MAMFKTSUQSQANV-ICSRJNTNSA-N 0 3 324.424 3.656 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)cc2cccnc21 ZINC000449549021 338636698 /nfs/dbraw/zinc/63/66/98/338636698.db2.gz SZUBGPJWRQGPBI-CVEARBPZSA-N 0 3 302.805 3.711 20 30 DHEDHN C=CCC[C@H](CO)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000449694768 338646839 /nfs/dbraw/zinc/64/68/39/338646839.db2.gz CNIRXBJCBVMXSP-CYBMUJFWSA-N 0 3 307.743 3.776 20 30 DHEDHN CCC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC000451442252 338734896 /nfs/dbraw/zinc/73/48/96/338734896.db2.gz UZIQEOVEPATRAY-HNNXBMFYSA-N 0 3 312.417 3.913 20 30 DHEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2Cl)C12CCC2 ZINC000451481522 338736379 /nfs/dbraw/zinc/73/63/79/338736379.db2.gz RKEXGLYICPWVEJ-JKSUJKDBSA-N 0 3 304.821 3.649 20 30 DHEDHN CC(C)(C#N)CCN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459531973 339034410 /nfs/dbraw/zinc/03/44/10/339034410.db2.gz DPXURBAKJSMPHL-KRWDZBQOSA-N 0 3 300.446 3.810 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459595588 339038064 /nfs/dbraw/zinc/03/80/64/339038064.db2.gz XDQXQVZURONVAK-IFXJQAMLSA-N 0 3 314.429 3.673 20 30 DHEDHN CC#CCCNCc1cc(Br)ccc1OC(F)F ZINC000166301140 339053135 /nfs/dbraw/zinc/05/31/35/339053135.db2.gz MDABCSPRACIEFF-UHFFFAOYSA-N 0 3 318.161 3.554 20 30 DHEDHN C=C(C)COc1cc(CNC[C@@](C)(OC)C2CC2)ccc1OC ZINC000462912602 339097797 /nfs/dbraw/zinc/09/77/97/339097797.db2.gz JWTHPUAFGFWWMC-LJQANCHMSA-N 0 3 319.445 3.555 20 30 DHEDHN C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)CC12CCCCC2 ZINC000463054639 339103308 /nfs/dbraw/zinc/10/33/08/339103308.db2.gz MEEUDGXAEBGWJQ-INIZCTEOSA-N 0 3 322.456 3.998 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000464653575 339147906 /nfs/dbraw/zinc/14/79/06/339147906.db2.gz SWEMHMYIKWBNGV-YJBOKZPZSA-N 0 3 302.462 3.570 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000464854318 339158102 /nfs/dbraw/zinc/15/81/02/339158102.db2.gz ONKBZEQCBXEFDB-WBVHZDCISA-N 0 3 323.358 3.558 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466440834 339205206 /nfs/dbraw/zinc/20/52/06/339205206.db2.gz JGLLDZGIXDKGEY-HKUYNNGSSA-N 0 3 314.473 3.712 20 30 DHEDHN N#CCSCCCNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000467190441 339227484 /nfs/dbraw/zinc/22/74/84/339227484.db2.gz GPXJNLRNJMNYBK-UHFFFAOYSA-N 0 3 314.376 3.931 20 30 DHEDHN C=CCCN(C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000467371621 339234831 /nfs/dbraw/zinc/23/48/31/339234831.db2.gz WIVWGNKWLLRJPC-UHFFFAOYSA-N 0 3 323.362 3.958 20 30 DHEDHN C[C@@H](NC[C@@H](CO)CC1CCCC1)c1ccc(C#N)cc1F ZINC000467455336 339239670 /nfs/dbraw/zinc/23/96/70/339239670.db2.gz KZJCOGGADHRHLL-CJNGLKHVSA-N 0 3 304.409 3.537 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000467519122 339240958 /nfs/dbraw/zinc/24/09/58/339240958.db2.gz PRIRUWFAPRGBIL-AZUAARDMSA-N 0 3 314.473 3.542 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000467521110 339240973 /nfs/dbraw/zinc/24/09/73/339240973.db2.gz XBPGEHRDZDFGCS-PKOBYXMFSA-N 0 3 302.462 3.788 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000467829340 339247101 /nfs/dbraw/zinc/24/71/01/339247101.db2.gz UOQIQLPPDFQYOP-IBGZPJMESA-N 0 3 312.457 3.708 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000468000375 339250892 /nfs/dbraw/zinc/25/08/92/339250892.db2.gz NNFRDLMTMDQZST-UYAOXDASSA-N 0 3 314.473 3.712 20 30 DHEDHN COCCN(Cc1ccc(F)c(C#N)c1)[C@H](C)c1ccccc1 ZINC000468268900 339258284 /nfs/dbraw/zinc/25/82/84/339258284.db2.gz CXSNOMFRLYSDMT-OAHLLOKOSA-N 0 3 312.388 3.907 20 30 DHEDHN CCCN(C(=O)C(C)C#N)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000469701753 339295641 /nfs/dbraw/zinc/29/56/41/339295641.db2.gz NUJRSESTOJSKNV-PMPSAXMXSA-N 0 3 306.450 3.513 20 30 DHEDHN C=CCCCCN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000471615258 339349604 /nfs/dbraw/zinc/34/96/04/339349604.db2.gz QNLZGKOJUMMTRN-MSOLQXFVSA-N 0 3 322.880 3.658 20 30 DHEDHN C=CCC[C@@H](O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000472771600 339377388 /nfs/dbraw/zinc/37/73/88/339377388.db2.gz OBTJQMGLPKZVBN-MRXNPFEDSA-N 0 3 313.363 3.997 20 30 DHEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1cccc(Br)c1 ZINC000472776235 339377531 /nfs/dbraw/zinc/37/75/31/339377531.db2.gz USPDQWJFEOJCTB-JKSUJKDBSA-N 0 3 324.262 3.913 20 30 DHEDHN CN1CC[C@@H](CSc2nc(-c3ccccc3)ccc2C#N)C1 ZINC000473784748 339391915 /nfs/dbraw/zinc/39/19/15/339391915.db2.gz OLXYIRAIYCZEBL-CQSZACIVSA-N 0 3 309.438 3.664 20 30 DHEDHN C=CCCCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000473895112 339394509 /nfs/dbraw/zinc/39/45/09/339394509.db2.gz MHSDASLWZSUOHE-HNNXBMFYSA-N 0 3 321.490 3.541 20 30 DHEDHN C=C(C)[C@H](NC(=O)[C@@H](CC)N(CC)CC)c1ccc(F)c(F)c1 ZINC000478908787 339524422 /nfs/dbraw/zinc/52/44/22/339524422.db2.gz JCCHZWOTWJQCIH-SJORKVTESA-N 0 3 324.415 3.819 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000480712591 339584458 /nfs/dbraw/zinc/58/44/58/339584458.db2.gz UDTDPGOTNUBNOO-XWIAVFTESA-N 0 3 304.409 3.942 20 30 DHEDHN N#Cc1cc(N2CCN(C3CCCCC3)CC2)nc2ccccc12 ZINC000481841481 339615187 /nfs/dbraw/zinc/61/51/87/339615187.db2.gz WRLOWIUFFXZCHP-UHFFFAOYSA-N 0 3 320.440 3.561 20 30 DHEDHN N#Cc1ccc(OCCNCc2cc(F)cc(Cl)c2)cc1 ZINC000485690376 339709449 /nfs/dbraw/zinc/70/94/49/339709449.db2.gz GMGOKJFAMGSHQO-UHFFFAOYSA-N 0 3 304.752 3.519 20 30 DHEDHN Cc1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1C#N ZINC000488130156 339771317 /nfs/dbraw/zinc/77/13/17/339771317.db2.gz VMWATQVPSZLORV-CQSZACIVSA-N 0 3 309.369 3.934 20 30 DHEDHN Cc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1C#N ZINC000488153037 339771942 /nfs/dbraw/zinc/77/19/42/339771942.db2.gz RSMMATKEUHEMAH-UHFFFAOYSA-N 0 3 309.369 3.800 20 30 DHEDHN C=CCC[C@H](CCC)[NH2+][C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000494349905 339947137 /nfs/dbraw/zinc/94/71/37/339947137.db2.gz OZYZVEHDZKPTJP-GJZGRUSLSA-N 0 3 313.449 3.961 20 30 DHEDHN C=C(C)COc1cccc(NC(=O)[C@H](CCC)NC(C)C)c1 ZINC000495267998 339979978 /nfs/dbraw/zinc/97/99/78/339979978.db2.gz PYVIIGNANGAXOJ-KRWDZBQOSA-N 0 3 304.434 3.747 20 30 DHEDHN FC(F)O[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1Cl ZINC000502541794 340107295 /nfs/dbraw/zinc/10/72/95/340107295.db2.gz LIJLHCHPFIUSQP-HUUCEWRRSA-N 0 3 313.775 3.832 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000502540285 340107310 /nfs/dbraw/zinc/10/73/10/340107310.db2.gz HKYWPLPYNVTXFF-CRAIPNDOSA-N 0 3 318.436 3.702 20 30 DHEDHN C=CC[C@H](CC)NC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000504088685 340140628 /nfs/dbraw/zinc/14/06/28/340140628.db2.gz CVGPJOAYUVNNCU-XYJFISCASA-N 0 3 317.477 3.640 20 30 DHEDHN COc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)cc(OC)c1 ZINC000507168022 340210597 /nfs/dbraw/zinc/21/05/97/340210597.db2.gz AKWNHXAMQZUTAL-UHFFFAOYSA-N 0 3 324.424 3.986 20 30 DHEDHN C=CCN(CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000507777380 340230999 /nfs/dbraw/zinc/23/09/99/340230999.db2.gz HIMXTRROXHJFMU-UHFFFAOYSA-N 0 3 312.388 3.843 20 30 DHEDHN CC(C#N)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000510389306 340297677 /nfs/dbraw/zinc/29/76/77/340297677.db2.gz PBKHZKHYJCAUJV-IINYFYTJSA-N 0 3 304.802 3.767 20 30 DHEDHN C=CC[C@@H](CO)CN[C@@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000510686119 340306715 /nfs/dbraw/zinc/30/67/15/340306715.db2.gz UGZGBTMZPRAECS-UZLBHIALSA-N 0 3 313.416 3.998 20 30 DHEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1c(F)cc(C#N)cc1F ZINC000303444017 340325835 /nfs/dbraw/zinc/32/58/35/340325835.db2.gz IISSFVKAAXWVRU-XQQFMLRXSA-N 0 3 307.388 3.615 20 30 DHEDHN N#Cc1ccc(OCCNC/C=C\c2ccc(F)c(F)c2)cc1 ZINC000512068009 340347545 /nfs/dbraw/zinc/34/75/45/340347545.db2.gz OMNDVNYJSPMVMN-UPHRSURJSA-N 0 3 314.335 3.518 20 30 DHEDHN CC[C@H]1CCCCN1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000512612869 340369037 /nfs/dbraw/zinc/36/90/37/340369037.db2.gz QGYKWPIHUPBFJD-ZBFHGGJFSA-N 0 3 303.425 3.612 20 30 DHEDHN C[C@H](COc1cccc(F)c1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512634818 340370123 /nfs/dbraw/zinc/37/01/23/340370123.db2.gz FADHQRZTEBJJDJ-OLZOCXBDSA-N 0 3 316.351 3.955 20 30 DHEDHN C[C@@H](N[C@@H](C)COc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512634819 340370254 /nfs/dbraw/zinc/37/02/54/340370254.db2.gz FADHQRZTEBJJDJ-QWHCGFSZSA-N 0 3 316.351 3.955 20 30 DHEDHN C[C@@H](NCCN1c2ccccc2C[C@@H]1C)c1ccc(C#N)cc1F ZINC000512640781 340370394 /nfs/dbraw/zinc/37/03/94/340370394.db2.gz ANLAIADUAJOJNH-LSDHHAIUSA-N 0 3 323.415 3.799 20 30 DHEDHN C[C@H](N[C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000512640984 340370445 /nfs/dbraw/zinc/37/04/45/340370445.db2.gz CBYXSJRGIRZUHI-RVSPLBMKSA-N 0 3 304.409 3.942 20 30 DHEDHN C[C@H](NCCN1c2ccccc2C[C@@H]1C)c1ccc(C#N)cc1F ZINC000512640779 340370465 /nfs/dbraw/zinc/37/04/65/340370465.db2.gz ANLAIADUAJOJNH-GJZGRUSLSA-N 0 3 323.415 3.799 20 30 DHEDHN C[C@@H](NC[C@@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1F ZINC000512655379 340371273 /nfs/dbraw/zinc/37/12/73/340371273.db2.gz UBDJNWQLEAQKLX-KUHUBIRLSA-N 0 3 311.404 3.651 20 30 DHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1ccc(F)cc1 ZINC000512662532 340371721 /nfs/dbraw/zinc/37/17/21/340371721.db2.gz YCYVFWMGSUSGRE-OLZOCXBDSA-N 0 3 316.351 3.955 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H](COC(F)F)C1 ZINC000512826746 340379524 /nfs/dbraw/zinc/37/95/24/340379524.db2.gz GLOFEDRMHCOTDA-CYBMUJFWSA-N 0 3 308.372 3.549 20 30 DHEDHN CO[C@@H](C)CN(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000513255991 340399622 /nfs/dbraw/zinc/39/96/22/340399622.db2.gz JVQJVYPAEOGOPH-SFHVURJKSA-N 0 3 322.452 3.853 20 30 DHEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000177471311 340440811 /nfs/dbraw/zinc/44/08/11/340440811.db2.gz HIXVWFOPWJYQBU-OAGGEKHMSA-N 0 3 321.424 3.667 20 30 DHEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191564360 340555638 /nfs/dbraw/zinc/55/56/38/340555638.db2.gz XJEGUAMPAZJSAQ-IHRRRGAJSA-N 0 3 315.417 3.997 20 30 DHEDHN CC(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000191602059 340556434 /nfs/dbraw/zinc/55/64/34/340556434.db2.gz MDVSVMVWFDFBTF-AZUAARDMSA-N 0 3 307.441 3.946 20 30 DHEDHN COCCC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000528576236 340724567 /nfs/dbraw/zinc/72/45/67/340724567.db2.gz KYBQELFUKKOFPI-UHFFFAOYSA-N 0 3 300.446 3.736 20 30 DHEDHN CC[C@H](NCCOc1ccc(C#N)cc1)c1cc(C)ccc1OC ZINC000537988459 340805959 /nfs/dbraw/zinc/80/59/59/340805959.db2.gz XQLSIKKSQZQSAK-IBGZPJMESA-N 0 3 324.424 3.995 20 30 DHEDHN N#CCc1ccc(CN2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000564256243 341010777 /nfs/dbraw/zinc/01/07/77/341010777.db2.gz WPOFIJVHSIIRQK-OAQYLSRUSA-N 0 3 318.420 3.722 20 30 DHEDHN COc1ccc(C#N)cc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000543414842 341043235 /nfs/dbraw/zinc/04/32/35/341043235.db2.gz AWWLDHNHNFBBAJ-SFHVURJKSA-N 0 3 321.424 3.643 20 30 DHEDHN CCc1cnccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000543576898 341049395 /nfs/dbraw/zinc/04/93/95/341049395.db2.gz VXNLXDDSWDSJDC-CYBMUJFWSA-N 0 3 319.286 3.548 20 30 DHEDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000131165071 341063598 /nfs/dbraw/zinc/06/35/98/341063598.db2.gz NSPMCEOCNBXPTG-GQCTYLIASA-N 0 3 307.353 3.612 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C)[C@H]2CCC)CC1 ZINC000074130005 341129500 /nfs/dbraw/zinc/12/95/00/341129500.db2.gz GIYOXCFFFZPATM-SJLPKXTDSA-N 0 3 321.509 3.637 20 30 DHEDHN CCCCN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000132665341 341137959 /nfs/dbraw/zinc/13/79/59/341137959.db2.gz RCQLYUDPUNJJKS-HNNXBMFYSA-N 0 3 319.424 3.583 20 30 DHEDHN Cc1ccn(-c2ccccc2CN[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000133113760 341155353 /nfs/dbraw/zinc/15/53/53/341155353.db2.gz RHUPSGGRWWVODC-INIZCTEOSA-N 0 3 316.408 3.903 20 30 DHEDHN C=CC[C@H](CO)NCc1cccc(OCC2CCCCC2)c1 ZINC000547375444 341209721 /nfs/dbraw/zinc/20/97/21/341209721.db2.gz JQQNKVIHHNREMD-GOSISDBHSA-N 0 3 303.446 3.672 20 30 DHEDHN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(F)c(C#N)c1 ZINC000134245373 341210695 /nfs/dbraw/zinc/21/06/95/341210695.db2.gz RSNKAQKKWYAGOQ-ORAYPTAESA-N 0 3 310.372 3.521 20 30 DHEDHN Cc1cccc(C)c1OCCCNCc1cc(C#N)cs1 ZINC000237650809 341217397 /nfs/dbraw/zinc/21/73/97/341217397.db2.gz PXWMGVUKFWPVDI-UHFFFAOYSA-N 0 3 300.427 3.795 20 30 DHEDHN C=CCN(CCC(=O)N(C)c1ccccc1)Cc1cccs1 ZINC000134956075 341227256 /nfs/dbraw/zinc/22/72/56/341227256.db2.gz XVSVFRDIIXTWND-UHFFFAOYSA-N 0 3 314.454 3.789 20 30 DHEDHN C=CCN(CCc1ccccc1)C(=O)[C@H](C)N1CCCCCC1 ZINC000078714833 341246619 /nfs/dbraw/zinc/24/66/19/341246619.db2.gz GDSDERGNBADWIG-SFHVURJKSA-N 0 3 314.473 3.508 20 30 DHEDHN C=CCOCCN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000549507502 341295910 /nfs/dbraw/zinc/29/59/10/341295910.db2.gz GMLZSAWOHNDJML-CQSZACIVSA-N 0 3 302.443 3.678 20 30 DHEDHN C=CCC(C)(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000550833161 341324102 /nfs/dbraw/zinc/32/41/02/341324102.db2.gz UCHBJCRZFBMXFR-MRXNPFEDSA-N 0 3 314.473 3.931 20 30 DHEDHN C=CCC[C@H](NCCC(=O)NC1CCCCC1)c1ccco1 ZINC000552033508 341363448 /nfs/dbraw/zinc/36/34/48/341363448.db2.gz GKNJZPVTCCSZRO-INIZCTEOSA-N 0 3 304.434 3.716 20 30 DHEDHN C=CCC[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000552040415 341364063 /nfs/dbraw/zinc/36/40/63/341364063.db2.gz HQNWVURZDYYBJE-INIZCTEOSA-N 0 3 316.357 3.864 20 30 DHEDHN C=CCC[C@@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1ccco1 ZINC000552046743 341364826 /nfs/dbraw/zinc/36/48/26/341364826.db2.gz QFGXRAYLRSCKKU-FUHWJXTLSA-N 0 3 317.404 3.867 20 30 DHEDHN N#Cc1ccc(OCCN2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000552197918 341377871 /nfs/dbraw/zinc/37/78/71/341377871.db2.gz CBYLXNUXPNUTRM-QGZVFWFLSA-N 0 3 310.372 3.566 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000248703033 341384759 /nfs/dbraw/zinc/38/47/59/341384759.db2.gz ALIURZOVKADWSF-ZCPGHIKRSA-N 0 3 304.821 3.842 20 30 DHEDHN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCCC[C@H]1C ZINC000249409729 341397296 /nfs/dbraw/zinc/39/72/96/341397296.db2.gz VAFXXYAEXJFFNT-MLGOLLRUSA-N 0 3 317.433 3.607 20 30 DHEDHN C=CCN1CCC(Nc2ccnc3c(Cl)cccc23)CC1 ZINC000553408257 341428235 /nfs/dbraw/zinc/42/82/35/341428235.db2.gz VYRCUPHOHGIUMJ-UHFFFAOYSA-N 0 3 301.821 3.951 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2ccc(CCCC)cc2)CC1 ZINC000171737338 341783893 /nfs/dbraw/zinc/78/38/93/341783893.db2.gz JCLLJBKVPBWHHY-UHFFFAOYSA-N 0 3 315.461 3.801 20 30 DHEDHN COC(=O)c1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000189195572 522001160 /nfs/dbraw/zinc/00/11/60/522001160.db2.gz TUIRDIVLLDHDBD-AWEZNQCLSA-N 0 3 308.381 3.538 20 30 DHEDHN C[C@H](NC[C@@H](c1cccc(F)c1)N(C)C)c1cccc(C#N)c1 ZINC000181388101 525384950 /nfs/dbraw/zinc/38/49/50/525384950.db2.gz QJUNCSYFQRCNIW-LIRRHRJNSA-N 0 3 311.404 3.651 20 30 DHEDHN C[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000181867963 525417040 /nfs/dbraw/zinc/41/70/40/525417040.db2.gz NRADUMAQIZJLLV-CYBMUJFWSA-N 0 3 317.433 3.512 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1cccc(C#N)c1 ZINC000181628505 525450329 /nfs/dbraw/zinc/45/03/29/525450329.db2.gz KZHOXRFVUDWWPV-HNNXBMFYSA-N 0 3 305.425 3.791 20 30 DHEDHN N#Cc1cc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)ccc1F ZINC000181191826 526552091 /nfs/dbraw/zinc/55/20/91/526552091.db2.gz SGCWBHPDDYXFRB-JXFKEZNVSA-N 0 3 324.399 3.955 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000161997007 526626518 /nfs/dbraw/zinc/62/65/18/526626518.db2.gz GIJXWXDFVCFARW-STQMWFEESA-N 0 3 300.299 3.908 20 30 DHEDHN Cn1ncc(CN[C@@H](CCCC#N)c2ccccc2)c1C1CC1 ZINC000894606635 1013428428 /nfs/dbraw/zinc/42/84/28/1013428428.db2.gz IYMNOPAOUIYESW-SFHVURJKSA-N 0 3 308.429 3.822 20 30 DHEDHN C=CCN(CCN1CCc2ccccc21)Cc1cccc(C#N)c1 ZINC001167251185 1013446301 /nfs/dbraw/zinc/44/63/01/1013446301.db2.gz BYZNAZCGOABAHA-UHFFFAOYSA-N 0 3 317.436 3.609 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(CC)[C@H](CC)c1ccccc1 ZINC000519909407 1013622694 /nfs/dbraw/zinc/62/26/94/1013622694.db2.gz WHOULRBYVBDJEO-GOSISDBHSA-N 0 3 302.462 3.884 20 30 DHEDHN N#Cc1ccc(CN(Cc2cc3cccnc3o2)C2CC2)cc1 ZINC000579194567 1013673962 /nfs/dbraw/zinc/67/39/62/1013673962.db2.gz YGXFSFJHPQDDRV-UHFFFAOYSA-N 0 3 303.365 3.864 20 30 DHEDHN C[C@H](NCc1ccc(C#N)s1)c1cccc(-n2cccn2)c1 ZINC000176980525 1013694365 /nfs/dbraw/zinc/69/43/65/1013694365.db2.gz KDEXNXUOSVFWKP-ZDUSSCGKSA-N 0 3 308.410 3.656 20 30 DHEDHN CC[C@H](C)CN(CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177370303 1013725558 /nfs/dbraw/zinc/72/55/58/1013725558.db2.gz VHSGLKDHLJLWPZ-NSHDSACASA-N 0 3 307.463 3.543 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000520386264 1013727792 /nfs/dbraw/zinc/72/77/92/1013727792.db2.gz YZCINILDIUOHBN-LJQANCHMSA-N 0 3 314.473 3.865 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441378301 1013730649 /nfs/dbraw/zinc/73/06/49/1013730649.db2.gz MTBFVYPCVNQART-IBGZPJMESA-N 0 3 316.489 3.673 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cnn([C@H](C)CC)c2C)CC1 ZINC000331104335 1013857859 /nfs/dbraw/zinc/85/78/59/1013857859.db2.gz PYMPMGXXQSBRJO-CQSZACIVSA-N 0 3 318.465 3.508 20 30 DHEDHN N#Cc1c(CN(C[C@@H]2CCCO2)C2CCCC2)cn2ccccc12 ZINC000441458323 1013900644 /nfs/dbraw/zinc/90/06/44/1013900644.db2.gz NUGVNEPFXUHVAS-SFHVURJKSA-N 0 3 323.440 3.735 20 30 DHEDHN C=CCc1cc(CN[C@H](C)CC(F)(F)F)cc(OC)c1O ZINC000361741788 1032077831 /nfs/dbraw/zinc/07/78/31/1032077831.db2.gz GGGRPQSYFNECPE-SNVBAGLBSA-N 0 3 303.324 3.560 20 30 DHEDHN N#CCc1ccc(CN[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000580833365 1014392000 /nfs/dbraw/zinc/39/20/00/1014392000.db2.gz KGROHDJGEHJIRZ-GOSISDBHSA-N 0 3 310.372 3.895 20 30 DHEDHN N#CC(C(=O)c1ccncc1Oc1ccccc1)c1ccccn1 ZINC000442097781 1014629408 /nfs/dbraw/zinc/62/94/08/1014629408.db2.gz XVIBBYXGESSZAU-INIZCTEOSA-N 0 3 315.332 3.759 20 30 DHEDHN N#CCc1cccc2c1CCN(C[C@H]1CCCC3(CCC3)O1)C2 ZINC000931332997 1032099323 /nfs/dbraw/zinc/09/93/23/1032099323.db2.gz PZWXTULALYUWSU-GOSISDBHSA-N 0 3 310.441 3.603 20 30 DHEDHN COc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(OC2CCCC2)c1 ZINC000442773217 1014729424 /nfs/dbraw/zinc/72/94/24/1014729424.db2.gz WVQXIOOFEPLAFW-HOCLYGCPSA-N 0 3 314.429 3.798 20 30 DHEDHN COc1cc(CN2CCC(c3ccccc3)CC2)ccc1C#N ZINC000442793362 1014735446 /nfs/dbraw/zinc/73/54/46/1014735446.db2.gz AXGMHIRLPJXHCM-UHFFFAOYSA-N 0 3 306.409 3.946 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000442792145 1014735623 /nfs/dbraw/zinc/73/56/23/1014735623.db2.gz LQCDIPDKODBKCR-UKRRQHHQSA-N 0 3 311.360 3.795 20 30 DHEDHN COCCN(Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1ccccc1 ZINC000442798661 1014738347 /nfs/dbraw/zinc/73/83/47/1014738347.db2.gz JRWQHANJXSCKTC-INIZCTEOSA-N 0 3 324.424 3.776 20 30 DHEDHN CCCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(OC(F)F)c1 ZINC000442799518 1014738206 /nfs/dbraw/zinc/73/82/06/1014738206.db2.gz YRXOUDRNRVQLEY-OCCSQVGLSA-N 0 3 324.371 3.859 20 30 DHEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)s1 ZINC000754658153 1014749166 /nfs/dbraw/zinc/74/91/66/1014749166.db2.gz KCFOUCNKZWXDKJ-QWHCGFSZSA-N 0 3 313.426 3.606 20 30 DHEDHN CCC(CC)[C@@H](NCC(=O)N(CC)CCC#N)c1cccs1 ZINC000341585816 1015555839 /nfs/dbraw/zinc/55/58/39/1015555839.db2.gz ARFILWOQANHVBY-QGZVFWFLSA-N 0 3 321.490 3.577 20 30 DHEDHN COc1ccc2cc(CN(C)Cc3cc(C#N)n(C)c3)ccc2c1 ZINC000276823513 1015684393 /nfs/dbraw/zinc/68/43/93/1015684393.db2.gz ZVZSNOBRSYCTIE-UHFFFAOYSA-N 0 3 319.408 3.691 20 30 DHEDHN O=C(CN[C@H](c1ccccc1)[C@@H]1CCOC1)NC1CCCCC1 ZINC000329397382 1015696594 /nfs/dbraw/zinc/69/65/94/1015696594.db2.gz UXRSMJVEAKYYAJ-VQIMIIECSA-N 0 3 316.445 3.643 20 30 DHEDHN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341758690 1015724123 /nfs/dbraw/zinc/72/41/23/1015724123.db2.gz BBNMVZVUQGVRFY-SFHVURJKSA-N 0 3 322.408 3.743 20 30 DHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@@H](C)C(C)C)c1 ZINC000341827940 1015758155 /nfs/dbraw/zinc/75/81/55/1015758155.db2.gz JELUILMMXJMISD-KRWDZBQOSA-N 0 3 315.461 3.526 20 30 DHEDHN CC[C@@H](NCCOc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000341856707 1015773455 /nfs/dbraw/zinc/77/34/55/1015773455.db2.gz ZXVFUYNTKKZDNV-GOSISDBHSA-N 0 3 316.351 3.956 20 30 DHEDHN Cc1ccc(CN(CCCOc2cccc(C#N)c2)C2CC2)o1 ZINC000610786210 1015785923 /nfs/dbraw/zinc/78/59/23/1015785923.db2.gz FILZFVAPUGKTBF-UHFFFAOYSA-N 0 3 310.397 3.893 20 30 DHEDHN Cc1ccc(CNCc2ccc3c(c2)COC(C)(C)O3)cc1C#N ZINC000896880515 1015796491 /nfs/dbraw/zinc/79/64/91/1015796491.db2.gz GJKWGWINLBFDRG-UHFFFAOYSA-N 0 3 322.408 3.802 20 30 DHEDHN CC(C)CO[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000610946946 1015957965 /nfs/dbraw/zinc/95/79/65/1015957965.db2.gz MUNRJXZAHFVIBG-DLBZAZTESA-N 0 3 304.409 3.627 20 30 DHEDHN COc1ccc(CN(Cc2ccnc(C#N)c2)[C@@H](C)C2CC2)cc1 ZINC000610991516 1015992262 /nfs/dbraw/zinc/99/22/62/1015992262.db2.gz MIGYRRMORNCFOH-HNNXBMFYSA-N 0 3 321.424 3.763 20 30 DHEDHN C[C@]1(CCc2ccccc2)CCN(Cc2ccnc(C#N)c2)C1 ZINC000610994443 1016004599 /nfs/dbraw/zinc/00/45/99/1016004599.db2.gz HZISOVWJCKEPAW-FQEVSTJZSA-N 0 3 305.425 3.798 20 30 DHEDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NCc1ccc(C#N)o1 ZINC000121706282 1016141239 /nfs/dbraw/zinc/14/12/39/1016141239.db2.gz MPSDEGKTEOWXIM-IEBWSBKVSA-N 0 3 310.397 3.940 20 30 DHEDHN CC(C)(C#N)CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000157399809 1016272112 /nfs/dbraw/zinc/27/21/12/1016272112.db2.gz WOQDGKCWCMUKOY-HNNXBMFYSA-N 0 3 300.402 3.535 20 30 DHEDHN CC1(C)CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000119792893 1016351514 /nfs/dbraw/zinc/35/15/14/1016351514.db2.gz MXKCBIOZTWJAKG-OAHLLOKOSA-N 0 3 310.401 3.667 20 30 DHEDHN CCCCN(C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000346556159 1016454086 /nfs/dbraw/zinc/45/40/86/1016454086.db2.gz XYIBOVDUJHSVHX-QGZVFWFLSA-N 0 3 315.461 3.671 20 30 DHEDHN CCOc1ccc([C@H](COC)N[C@@H](C)CC(C)(C)C#N)cc1 ZINC000926382661 1016559782 /nfs/dbraw/zinc/55/97/82/1016559782.db2.gz NUVZGSYPAYYGGP-YOEHRIQHSA-N 0 3 304.434 3.691 20 30 DHEDHN CCC(C)(C)N(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000072633230 1016714231 /nfs/dbraw/zinc/71/42/31/1016714231.db2.gz BROWDAZJWNGRFO-UHFFFAOYSA-N 0 3 315.461 3.671 20 30 DHEDHN C=CCCn1cc(CNC[C@H]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000657484639 1017009139 /nfs/dbraw/zinc/00/91/39/1017009139.db2.gz GQXMEKPSEUQZPT-UYAOXDASSA-N 0 3 324.472 3.918 20 30 DHEDHN C=CCCn1cc(CN[C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)nn1 ZINC000657492220 1017025177 /nfs/dbraw/zinc/02/51/77/1017025177.db2.gz AFBYQILAKXSFOO-QXAKKESOSA-N 0 3 324.472 3.916 20 30 DHEDHN COc1ccc(Cl)c2c1C[C@H](N1CCC[C@@H](CC#N)C1)CC2 ZINC001171322018 1032366612 /nfs/dbraw/zinc/36/66/12/1032366612.db2.gz QSJUCSRJIQUUKN-UONOGXRCSA-N 0 3 318.848 3.832 20 30 DHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC(C)(C)C)cc1 ZINC000103639485 1032412040 /nfs/dbraw/zinc/41/20/40/1032412040.db2.gz FYJKAXWNRKUIJE-OAHLLOKOSA-N 0 3 316.401 3.559 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000093482107 1032541531 /nfs/dbraw/zinc/54/15/31/1032541531.db2.gz QNPDKXYSUVCKBP-HIFRSBDPSA-N 0 3 309.837 3.640 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OC)cc2C)cc1 ZINC000773054704 1032542087 /nfs/dbraw/zinc/54/20/87/1032542087.db2.gz XAUCMDKBVRMAPZ-MRXNPFEDSA-N 0 3 309.409 3.866 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc3c(c2)COC3)cc1 ZINC000773077473 1032549074 /nfs/dbraw/zinc/54/90/74/1032549074.db2.gz DVXVPBBOOQJCSQ-HNNXBMFYSA-N 0 3 307.393 3.580 20 30 DHEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccc2c(c1)CCO2 ZINC000773079248 1032551244 /nfs/dbraw/zinc/55/12/44/1032551244.db2.gz XTNYWJJLRFXANT-SFHVURJKSA-N 0 3 322.408 3.743 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1COC2(CCCCC2)O1 ZINC001171399274 1032582615 /nfs/dbraw/zinc/58/26/15/1032582615.db2.gz CQWVNTJFJHQVNU-MAUKXSAKSA-N 0 3 314.429 3.627 20 30 DHEDHN CC(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424116094 1011908509 /nfs/dbraw/zinc/90/85/09/1011908509.db2.gz BHKMATWLYYILLJ-HOTGVXAUSA-N 0 3 321.852 3.565 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc(-c2ccc(C)cc2)n1 ZINC000424166417 1011934757 /nfs/dbraw/zinc/93/47/57/1011934757.db2.gz CGSOYGMNAXHDHW-RDJZCZTQSA-N 0 3 314.454 3.799 20 30 DHEDHN CC(C)(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424187191 1011936114 /nfs/dbraw/zinc/93/61/14/1011936114.db2.gz AKXMXUFWRSTRBP-DOTOQJQBSA-N 0 3 322.456 3.952 20 30 DHEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000186693835 1011972827 /nfs/dbraw/zinc/97/28/27/1011972827.db2.gz WCUZHZNXDQCQJU-KOLCDFICSA-N 0 3 305.752 3.529 20 30 DHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000424317672 1011975776 /nfs/dbraw/zinc/97/57/76/1011975776.db2.gz CDJRHZUJVCQVPW-JVLSTEMRSA-N 0 3 309.335 3.760 20 30 DHEDHN N#Cc1csc(CN2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000514793768 1012438031 /nfs/dbraw/zinc/43/80/31/1012438031.db2.gz QNDUDMMDLFEHNI-HNNXBMFYSA-N 0 3 322.437 3.634 20 30 DHEDHN CC(=O)Nc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425364440 1012489225 /nfs/dbraw/zinc/48/92/25/1012489225.db2.gz GNVNSDUZUWDKLJ-CQSZACIVSA-N 0 3 307.397 3.710 20 30 DHEDHN CCN(CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](C)C#N ZINC000179817096 1012865287 /nfs/dbraw/zinc/86/52/87/1012865287.db2.gz JNWHTAUVOMWODU-OAHLLOKOSA-N 0 3 323.481 3.505 20 30 DHEDHN CCN(CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](C)C#N ZINC000179817077 1012868670 /nfs/dbraw/zinc/86/86/70/1012868670.db2.gz JNWHTAUVOMWODU-HNNXBMFYSA-N 0 3 323.481 3.505 20 30 DHEDHN COc1cccc2c1CC[C@@H]2N[C@H]1CCc2ccc(C#N)cc21 ZINC000516999999 1012888583 /nfs/dbraw/zinc/88/85/83/1012888583.db2.gz KFGIOPRLJDUDTG-OALUTQOASA-N 0 3 304.393 3.831 20 30 DHEDHN C=C(CNCc1cnc(N(CC)CC)s1)c1ccccc1 ZINC000620756654 1017191358 /nfs/dbraw/zinc/19/13/58/1017191358.db2.gz KDWFUQSQLGFOIG-UHFFFAOYSA-N 0 3 301.459 3.792 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000248238244 1017209072 /nfs/dbraw/zinc/20/90/72/1017209072.db2.gz NMVIKFYAENLQHA-KRWDZBQOSA-N 0 3 314.473 3.712 20 30 DHEDHN CC(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)cn1 ZINC000121868259 1017387532 /nfs/dbraw/zinc/38/75/32/1017387532.db2.gz KDFALCZARZFNMW-CQSZACIVSA-N 0 3 318.380 3.582 20 30 DHEDHN C=CCOCCCNCc1csc(-c2ccc(C)cc2)n1 ZINC000657658324 1017683568 /nfs/dbraw/zinc/68/35/68/1017683568.db2.gz SFRKVPQIHLCOFW-UHFFFAOYSA-N 0 3 302.443 3.801 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCCCC1 ZINC001128744089 1018026709 /nfs/dbraw/zinc/02/67/09/1018026709.db2.gz FZOMAJXXQRVSQX-INIZCTEOSA-N 0 3 306.494 3.750 20 30 DHEDHN C=C1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 ZINC000524676875 1018063389 /nfs/dbraw/zinc/06/33/89/1018063389.db2.gz RANLNASZXQCPMH-SFHVURJKSA-N 0 3 317.473 3.684 20 30 DHEDHN N#CCCCN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000185089006 1018107356 /nfs/dbraw/zinc/10/73/56/1018107356.db2.gz VADYREFEVXPWLW-SFHVURJKSA-N 0 3 322.387 3.810 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2c(C)c(F)ccc2Cl)CC1 ZINC000475643770 1018166291 /nfs/dbraw/zinc/16/62/91/1018166291.db2.gz XQAGSAYVHMTDJF-UHFFFAOYSA-N 0 3 324.827 3.558 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000525121854 1018174307 /nfs/dbraw/zinc/17/43/07/1018174307.db2.gz HOMHNKYYQSUJBG-MJGOQNOKSA-N 0 3 314.473 3.537 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000088442281 1032758428 /nfs/dbraw/zinc/75/84/28/1032758428.db2.gz LSNODJQLLKLWCA-UHFFFAOYSA-N 0 3 315.214 3.953 20 30 DHEDHN C=CCN(CCc1ccccc1)C(=O)c1cccc(CN(C)C)c1 ZINC000155999605 1018395554 /nfs/dbraw/zinc/39/55/54/1018395554.db2.gz SQWKUFNJPHOUBB-UHFFFAOYSA-N 0 3 322.452 3.619 20 30 DHEDHN CC[C@H](C)N[C@@H](CNc1c(C#N)cccc1C#N)c1ccco1 ZINC000343272992 1018533059 /nfs/dbraw/zinc/53/30/59/1018533059.db2.gz QMNRVBFDPNSHBT-BBRMVZONSA-N 0 3 308.385 3.564 20 30 DHEDHN COc1ccc2c(c1)nccc2N(C)Cc1cccc(C#N)c1 ZINC000765463421 1018798961 /nfs/dbraw/zinc/79/89/61/1018798961.db2.gz JHEHCRDRABATQH-UHFFFAOYSA-N 0 3 303.365 3.751 20 30 DHEDHN C=CCN(CCOC)C/C(C)=C/c1ccccc1OC(F)F ZINC000584060746 1018910518 /nfs/dbraw/zinc/91/05/18/1018910518.db2.gz UFQXSAWXTDVNFJ-WYMLVPIESA-N 0 3 311.372 3.826 20 30 DHEDHN C=CCN(CCOC)C/C(C)=C\c1ccccc1OC(F)F ZINC000584060745 1018911109 /nfs/dbraw/zinc/91/11/09/1018911109.db2.gz UFQXSAWXTDVNFJ-OWBHPGMISA-N 0 3 311.372 3.826 20 30 DHEDHN C[C@@H]1CCC[C@H](C)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075767267 1019049123 /nfs/dbraw/zinc/04/91/23/1019049123.db2.gz ZRORHCMIKWQIPN-KGLIPLIRSA-N 0 3 310.401 3.619 20 30 DHEDHN N#Cc1cccc(C2(NCc3ccc4c(c3)CCCO4)CC2)c1 ZINC000921926321 1019123849 /nfs/dbraw/zinc/12/38/49/1019123849.db2.gz VHLKNAFLGZYTEX-UHFFFAOYSA-N 0 3 304.393 3.662 20 30 DHEDHN CO[C@H](c1ccccc1F)[C@@H](C)NCc1csc(C#N)c1 ZINC000921969689 1019233859 /nfs/dbraw/zinc/23/38/59/1019233859.db2.gz OWNADQUHVAXYGA-BZNIZROVSA-N 0 3 304.390 3.625 20 30 DHEDHN CC[C@@H](C(=O)C(C#N)c1nc(C(C)C)cs1)N(CC)CC ZINC000765964819 1019272935 /nfs/dbraw/zinc/27/29/35/1019272935.db2.gz OVNYWXJGYGRXHK-JSGCOSHPSA-N 0 3 307.463 3.563 20 30 DHEDHN C#CC[C@@H](CCOC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000858333468 1032850912 /nfs/dbraw/zinc/85/09/12/1032850912.db2.gz HJAOEECSCHKYJF-IBGZPJMESA-N 0 3 309.409 3.577 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnn(C2CCC2)c1 ZINC000922192010 1019820283 /nfs/dbraw/zinc/82/02/83/1019820283.db2.gz ZNZGZYVAUSMUGU-IBGZPJMESA-N 0 3 306.413 3.647 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000255603699 1019867074 /nfs/dbraw/zinc/86/70/74/1019867074.db2.gz SRBFIPWLCKFEKL-JPVKTXQWSA-N 0 3 304.434 3.615 20 30 DHEDHN C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccccc1C#N ZINC000012673896 1019980508 /nfs/dbraw/zinc/98/05/08/1019980508.db2.gz HQYKFTPNVPKVOE-AUUYWEPGSA-N 0 3 319.408 3.626 20 30 DHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000671764790 1020010751 /nfs/dbraw/zinc/01/07/51/1020010751.db2.gz QOKBPPNQIJGLRX-CYBMUJFWSA-N 0 3 324.380 3.949 20 30 DHEDHN CN(Cc1ccc(Cl)cc1)Cc1ccc(OCC#N)cc1 ZINC000731210543 1020080114 /nfs/dbraw/zinc/08/01/14/1020080114.db2.gz QJNQLMWCJJOHOX-UHFFFAOYSA-N 0 3 300.789 3.874 20 30 DHEDHN N#Cc1csc(CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000123921870 1020118373 /nfs/dbraw/zinc/11/83/73/1020118373.db2.gz MPYMFNUHVHOQNP-UHFFFAOYSA-N 0 3 322.437 3.876 20 30 DHEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1nc2ccccc2o1 ZINC000922603907 1020158815 /nfs/dbraw/zinc/15/88/15/1020158815.db2.gz OULYEOURXFQFMY-UHFFFAOYSA-N 0 3 305.381 3.810 20 30 DHEDHN Cc1cc(C2(C(=O)C(C#N)c3nc4ccccc4s3)CC2)on1 ZINC000892423448 1020207195 /nfs/dbraw/zinc/20/71/95/1020207195.db2.gz FTJZLJAQUYTXNU-LLVKDONJSA-N 0 3 323.377 3.501 20 30 DHEDHN C=CCOCCCN[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000658210895 1020226064 /nfs/dbraw/zinc/22/60/64/1020226064.db2.gz YFDSTMJYLDCMRU-IBGZPJMESA-N 0 3 314.404 3.801 20 30 DHEDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(C#N)cc1 ZINC000282392269 1020297643 /nfs/dbraw/zinc/29/76/43/1020297643.db2.gz GWKDNSFGLWUMAC-HXUWFJFHSA-N 0 3 324.424 3.600 20 30 DHEDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(C#N)cc1 ZINC000282392269 1020297645 /nfs/dbraw/zinc/29/76/45/1020297645.db2.gz GWKDNSFGLWUMAC-HXUWFJFHSA-N 0 3 324.424 3.600 20 30 DHEDHN C=C(C)COc1cccc(NC(=O)c2cccc(CN(C)C)c2)c1 ZINC000156163412 1020322150 /nfs/dbraw/zinc/32/21/50/1020322150.db2.gz WCYMDWVQHRUCFB-UHFFFAOYSA-N 0 3 324.424 3.955 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(OCC)cc2)cc1 ZINC000733322657 1020369632 /nfs/dbraw/zinc/36/96/32/1020369632.db2.gz RLTKHFFKHZINGI-INIZCTEOSA-N 0 3 309.409 3.948 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000733325919 1020371042 /nfs/dbraw/zinc/37/10/42/1020371042.db2.gz YIDFTRHDOMSSSL-UHFFFAOYSA-N 0 3 301.336 3.657 20 30 DHEDHN CCCCN(CC)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000216454950 1020520339 /nfs/dbraw/zinc/52/03/39/1020520339.db2.gz XFPRBKYARGFSAS-GFCCVEGCSA-N 0 3 307.825 3.661 20 30 DHEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000892494050 1020542129 /nfs/dbraw/zinc/54/21/29/1020542129.db2.gz ZAIWVLFVGGOCJN-OAHLLOKOSA-N 0 3 316.788 3.734 20 30 DHEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000892493965 1020545993 /nfs/dbraw/zinc/54/59/93/1020545993.db2.gz WEZVFJXAXPANTF-ZDUSSCGKSA-N 0 3 304.777 3.590 20 30 DHEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(OCC#N)cc1 ZINC000780384419 1020569961 /nfs/dbraw/zinc/56/99/61/1020569961.db2.gz HZBWYGAPLPDTNF-TZMCWYRMSA-N 0 3 312.335 3.752 20 30 DHEDHN C#CCCOc1ccc(CN[C@H](CC=C)c2ccncc2)cc1 ZINC000734508954 1020618020 /nfs/dbraw/zinc/61/80/20/1020618020.db2.gz FCMRTTFCKCCSRT-HXUWFJFHSA-N 0 3 306.409 3.891 20 30 DHEDHN C=CCN1CCC(Nc2nc(C(F)F)nc3ccccc32)CC1 ZINC000066467253 1020878308 /nfs/dbraw/zinc/87/83/08/1020878308.db2.gz TXAGVLCIQCYEOB-UHFFFAOYSA-N 0 3 318.371 3.630 20 30 DHEDHN CCCCCCCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000740874379 1020958986 /nfs/dbraw/zinc/95/89/86/1020958986.db2.gz GOIBTDHTMZWBCW-UHFFFAOYSA-N 0 3 320.452 3.944 20 30 DHEDHN COc1ccc(CN[C@H](c2ccc(F)cc2)C2CC2)cc1C#N ZINC000742370198 1021107646 /nfs/dbraw/zinc/10/76/46/1021107646.db2.gz VWKBMYNFOVBSRD-IBGZPJMESA-N 0 3 310.372 3.947 20 30 DHEDHN Cc1sc(NC(=O)CN(C)[C@H]2CCC[C@H](C)C2)c(C#N)c1C ZINC000177023692 1021191027 /nfs/dbraw/zinc/19/10/27/1021191027.db2.gz QNFKBZHLTPIKAL-FZMZJTMJSA-N 0 3 319.474 3.686 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(Cl)c(OC)c2)cc1 ZINC001202465651 1021263588 /nfs/dbraw/zinc/26/35/88/1021263588.db2.gz FORJSLYTTMGKGF-UHFFFAOYSA-N 0 3 315.800 3.650 20 30 DHEDHN CCCOc1ccc(CNCc2ccc(OCC#N)cc2)c(C)c1 ZINC000850121824 1021422789 /nfs/dbraw/zinc/42/27/89/1021422789.db2.gz YPTBXWUPCLIISS-UHFFFAOYSA-N 0 3 324.424 3.976 20 30 DHEDHN C#CCCOc1ccc(CNCc2cc(COC)cs2)cc1 ZINC000850377185 1021496308 /nfs/dbraw/zinc/49/63/08/1021496308.db2.gz AOPLMTMQAZOALI-UHFFFAOYSA-N 0 3 315.438 3.586 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(OC(F)F)c1 ZINC000618742688 1021500883 /nfs/dbraw/zinc/50/08/83/1021500883.db2.gz PCLBPGWZBVHQOJ-KRWDZBQOSA-N 0 3 314.335 3.937 20 30 DHEDHN CCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618742302 1021502070 /nfs/dbraw/zinc/50/20/70/1021502070.db2.gz MBQACLROZPPJLY-SFHVURJKSA-N 0 3 322.408 3.743 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc(-c2ccccc2)[nH]1 ZINC000618742202 1021502615 /nfs/dbraw/zinc/50/26/15/1021502615.db2.gz UATHARZVORQTOS-IBGZPJMESA-N 0 3 314.392 3.725 20 30 DHEDHN COc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618801855 1021532182 /nfs/dbraw/zinc/53/21/82/1021532182.db2.gz CMPVBBHQXYXQRA-SCLBCKFNSA-N 0 3 322.408 3.914 20 30 DHEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@]1(C)CCCO1 ZINC000556119047 1021543666 /nfs/dbraw/zinc/54/36/66/1021543666.db2.gz ZMPZCBRSUBZNPV-CZUORRHYSA-N 0 3 311.347 3.604 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@H](O)c2ccccc21 ZINC000850529378 1021582914 /nfs/dbraw/zinc/58/29/14/1021582914.db2.gz QWWNVBUOZXMNHH-UFYCRDLUSA-N 0 3 304.393 3.704 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCc3ccc(O)cc32)cc1 ZINC000850544070 1021594632 /nfs/dbraw/zinc/59/46/32/1021594632.db2.gz SWZQVQZZJPETCK-VLIAUNLRSA-N 0 3 307.393 3.742 20 30 DHEDHN N#CC(C(=O)CC[C@@H]1CC1(Cl)Cl)c1nc2ccccc2[nH]1 ZINC000850738854 1021632252 /nfs/dbraw/zinc/63/22/52/1021632252.db2.gz QQQGZHLLKKYDJV-ZJUUUORDSA-N 0 3 322.195 3.713 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000556518073 1021751686 /nfs/dbraw/zinc/75/16/86/1021751686.db2.gz CTUBTUJYQWTION-SJORKVTESA-N 0 3 323.358 3.700 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1ccccc1F ZINC000122589118 1021753170 /nfs/dbraw/zinc/75/31/70/1021753170.db2.gz FXYXDCKSGCIMCS-IBGZPJMESA-N 0 3 315.388 3.556 20 30 DHEDHN Cc1ccccc1[C@@H](CO)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508451 1021772747 /nfs/dbraw/zinc/77/27/47/1021772747.db2.gz YNHPLZRLLYUQTD-LEWJYISDSA-N 0 3 320.436 3.957 20 30 DHEDHN CC[C@@H](C)Oc1cc(CNCC2(CC#N)CC2)ccc1OC ZINC000619530036 1021780553 /nfs/dbraw/zinc/78/05/53/1021780553.db2.gz AYXVWJUEIUYIFC-CQSZACIVSA-N 0 3 302.418 3.656 20 30 DHEDHN N#CC1(c2ccccn2)CCN([C@@H]2CCc3ccccc32)CC1 ZINC000619723030 1021849323 /nfs/dbraw/zinc/84/93/23/1021849323.db2.gz OENVYHFVCOVJCZ-GOSISDBHSA-N 0 3 303.409 3.626 20 30 DHEDHN C[C@]12CCN(CCc3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl ZINC000852024233 1022061954 /nfs/dbraw/zinc/06/19/54/1022061954.db2.gz UNWOMFHZPPYZJW-CABCVRRESA-N 0 3 309.240 3.616 20 30 DHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cn(Cc2ccccc2)nn1 ZINC000852303478 1022103532 /nfs/dbraw/zinc/10/35/32/1022103532.db2.gz QIKFYOQDXZSBHX-MJGOQNOKSA-N 0 3 310.445 3.551 20 30 DHEDHN CC(=NN[C@H](C)c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000920383833 1022112758 /nfs/dbraw/zinc/11/27/58/1022112758.db2.gz YZUFCZNEHCZJRD-MRXNPFEDSA-N 0 3 323.440 3.598 20 30 DHEDHN CC(=NN[C@@H](C)c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000920383831 1022112850 /nfs/dbraw/zinc/11/28/50/1022112850.db2.gz YZUFCZNEHCZJRD-INIZCTEOSA-N 0 3 323.440 3.598 20 30 DHEDHN CC(C)(NC[C@@H](O)c1cc2ccccc2o1)c1cccc(C#N)c1 ZINC000852353414 1022113382 /nfs/dbraw/zinc/11/33/82/1022113382.db2.gz FWABCXAQSXHODB-QGZVFWFLSA-N 0 3 320.392 3.863 20 30 DHEDHN CN(C)/C=N/c1ccc(NCCCCc2ccccn2)cc1C#N ZINC001168798465 1022134406 /nfs/dbraw/zinc/13/44/06/1022134406.db2.gz SSCRWLDJJZJTMR-HZHRSRAPSA-N 0 3 321.428 3.609 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1ccccc1Br ZINC000852685933 1022159998 /nfs/dbraw/zinc/15/99/98/1022159998.db2.gz MYNZTZPCLBLZKH-DVOMOZLQSA-N 0 3 322.246 3.666 20 30 DHEDHN N#Cc1cccc(NC(=O)CNC2(c3ccccc3)CCCC2)c1 ZINC000183536114 1022174780 /nfs/dbraw/zinc/17/47/80/1022174780.db2.gz QBFIMSKDGPWRIV-UHFFFAOYSA-N 0 3 319.408 3.556 20 30 DHEDHN C#CC[C@H](NCc1ccc(C(=O)OC)c(C)c1)c1ccccc1 ZINC000893237318 1022296442 /nfs/dbraw/zinc/29/64/42/1022296442.db2.gz JJQRVKMDEXQRGH-IBGZPJMESA-N 0 3 307.393 3.636 20 30 DHEDHN C[C@H](CCC#N)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC000854061744 1022400304 /nfs/dbraw/zinc/40/03/04/1022400304.db2.gz MEGXTVFGVSZONX-MRXNPFEDSA-N 0 3 322.456 3.949 20 30 DHEDHN Cc1nccc([C@@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000615438242 1022475240 /nfs/dbraw/zinc/47/52/40/1022475240.db2.gz SGNSOITVESMUFP-KBXCAEBGSA-N 0 3 306.413 3.597 20 30 DHEDHN N=C(N[C@@H]1CSc2ccccc2C1)c1ccc2ccccc2n1 ZINC001172196235 1033057184 /nfs/dbraw/zinc/05/71/84/1033057184.db2.gz JBYUQTAGGGXINH-HNNXBMFYSA-N 0 3 319.433 3.657 20 30 DHEDHN C=C[C@@H](N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1 ZINC001169757552 1022533931 /nfs/dbraw/zinc/53/39/31/1022533931.db2.gz QLUXLUXHCFZZCO-VQTJNVASSA-N 0 3 320.436 3.808 20 30 DHEDHN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)C(C)C ZINC000120265968 1022620350 /nfs/dbraw/zinc/62/03/50/1022620350.db2.gz CEIKDTRBKAQJID-GFCCVEGCSA-N 0 3 307.825 3.517 20 30 DHEDHN COc1ccc(F)c(F)c1CN[C@H](C)Cc1ccc(C#N)cc1 ZINC001172302453 1033073407 /nfs/dbraw/zinc/07/34/07/1033073407.db2.gz JXTQHANGVAVVPS-GFCCVEGCSA-N 0 3 316.351 3.566 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001172313180 1033082637 /nfs/dbraw/zinc/08/26/37/1033082637.db2.gz QXGQZRYMFKCDHO-LLGFUMIMSA-N 0 3 320.436 3.951 20 30 DHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1C ZINC000116591994 1033085868 /nfs/dbraw/zinc/08/58/68/1033085868.db2.gz GEORYRQPFNDAKL-RDJZCZTQSA-N 0 3 314.429 3.504 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCC2)c1 ZINC000114617943 1022873835 /nfs/dbraw/zinc/87/38/35/1022873835.db2.gz GCIYRBZBKRDWIS-WMLDXEAASA-N 0 3 312.413 3.859 20 30 DHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1C ZINC000116591995 1033087367 /nfs/dbraw/zinc/08/73/67/1033087367.db2.gz GEORYRQPFNDAKL-DOTOQJQBSA-N 0 3 314.429 3.504 20 30 DHEDHN [O-]c1ccc(F)cc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000180930134 1022890471 /nfs/dbraw/zinc/89/04/71/1022890471.db2.gz DRHRXIMXHNUWOW-UHFFFAOYSA-N 0 3 323.289 3.691 20 30 DHEDHN C#CCOc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000768257177 1022936393 /nfs/dbraw/zinc/93/63/93/1022936393.db2.gz IRFWMAAMINKQDR-UHFFFAOYSA-N 0 3 316.404 3.735 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)NCC(=O)c1ccc(Cl)cc1 ZINC001172290833 1033096885 /nfs/dbraw/zinc/09/68/85/1033096885.db2.gz SLSDHHLLXKWKNN-CYBMUJFWSA-N 0 3 312.800 3.615 20 30 DHEDHN CC(C)N(CCC#N)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768763054 1023014177 /nfs/dbraw/zinc/01/41/77/1023014177.db2.gz GYPUZNNYHKQYQN-UHFFFAOYSA-N 0 3 323.481 3.648 20 30 DHEDHN C#CCOc1ccccc1CN1CCC(OCCC(C)C)CC1 ZINC000768902552 1023051873 /nfs/dbraw/zinc/05/18/73/1023051873.db2.gz FPNMSPQDLGBNHY-UHFFFAOYSA-N 0 3 315.457 3.726 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)n1nc(-c2ccccc2)cc1CN ZINC001172295352 1033102404 /nfs/dbraw/zinc/10/24/04/1033102404.db2.gz QSSBFIDWBAVKCS-HNNXBMFYSA-N 0 3 316.408 3.684 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000876599813 1033104567 /nfs/dbraw/zinc/10/45/67/1033104567.db2.gz KZNRPXCKHFSWGK-INIZCTEOSA-N 0 3 324.827 3.567 20 30 DHEDHN N#Cc1csc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000769240869 1023105279 /nfs/dbraw/zinc/10/52/79/1023105279.db2.gz HAAODWICBQQSNA-ZWKOTPCHSA-N 0 3 312.438 3.708 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OCCC(C)C)c1 ZINC000876621568 1033108365 /nfs/dbraw/zinc/10/83/65/1033108365.db2.gz BTKWOLGWXNVOIH-OAHLLOKOSA-N 0 3 310.825 3.520 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCCC(C)C)c1 ZINC000876621567 1033110282 /nfs/dbraw/zinc/11/02/82/1033110282.db2.gz BTKWOLGWXNVOIH-HNNXBMFYSA-N 0 3 310.825 3.520 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000876685631 1033122019 /nfs/dbraw/zinc/12/20/19/1033122019.db2.gz TVDOLASDMHXLAN-ULQDDVLXSA-N 0 3 320.864 3.559 20 30 DHEDHN Cc1ccncc1[C@H](C)NCc1ccc(N(C)CCC#N)cc1 ZINC000770750297 1023347363 /nfs/dbraw/zinc/34/73/63/1023347363.db2.gz MLWOTNOVWIHVHZ-INIZCTEOSA-N 0 3 308.429 3.591 20 30 DHEDHN CC[C@H](C)c1ccc([C@@H](NCC(=O)NCCC#N)C(C)C)cc1 ZINC000198751776 1023371031 /nfs/dbraw/zinc/37/10/31/1023371031.db2.gz FPSNBAKLTINQHI-KXBFYZLASA-N 0 3 315.461 3.517 20 30 DHEDHN CCCCCCC[C@H](CC)N1CCC(S(C)(=O)=O)CC1 ZINC001172356831 1033137608 /nfs/dbraw/zinc/13/76/08/1033137608.db2.gz YMIKJQIJEZMBPR-HNNXBMFYSA-N 0 3 303.512 3.635 20 30 DHEDHN C#CCN(Cc1ccc2c(c1)COC2)[C@@H]1CCc2ccccc21 ZINC000772600706 1023578170 /nfs/dbraw/zinc/57/81/70/1023578170.db2.gz XEAJGSRMMUGEMX-OAQYLSRUSA-N 0 3 303.405 3.840 20 30 DHEDHN C=CCN(Cc1cnc2ccc(C#N)cn12)CC1CCCCC1 ZINC000538731103 1033152538 /nfs/dbraw/zinc/15/25/38/1033152538.db2.gz ZELMSGDXLIIGMK-UHFFFAOYSA-N 0 3 308.429 3.774 20 30 DHEDHN C#CCOc1ccccc1CN[C@H](C)[C@H](OC)c1ccccc1 ZINC000786863271 1023731739 /nfs/dbraw/zinc/73/17/39/1023731739.db2.gz ZXWYFAPGYYSLJO-UZLBHIALSA-N 0 3 309.409 3.564 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)c1ccc(F)cc1C ZINC000746663588 1023777719 /nfs/dbraw/zinc/77/77/19/1023777719.db2.gz RXUBHYUTAAQWLU-FQEVSTJZSA-N 0 3 324.399 3.727 20 30 DHEDHN C=CCC1(NCc2nc(-c3ccc(F)cc3)no2)CCCC1 ZINC000661851460 1023778885 /nfs/dbraw/zinc/77/88/85/1023778885.db2.gz RUHCQPBOLBLBBQ-UHFFFAOYSA-N 0 3 301.365 3.854 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1c1ccccc1Cl ZINC000598586204 1023854559 /nfs/dbraw/zinc/85/45/59/1023854559.db2.gz QGABJMOVEINLAD-BBRMVZONSA-N 0 3 306.837 3.778 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(Cc1ccccc1)C(C)C ZINC000662081574 1023889360 /nfs/dbraw/zinc/88/93/60/1023889360.db2.gz VCKDAFYOGQBCST-KDURUIRLSA-N 0 3 312.457 3.607 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc2ccccc21 ZINC000662086032 1023892781 /nfs/dbraw/zinc/89/27/81/1023892781.db2.gz OMCKDNWXMCJIAS-CALCHBBNSA-N 0 3 306.409 3.961 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000662086294 1023894867 /nfs/dbraw/zinc/89/48/67/1023894867.db2.gz QIUVHHKODPMWHI-OIISXLGYSA-N 0 3 314.429 3.595 20 30 DHEDHN CN1CCCC[C@@H]1c1ccc(NCc2ccc(C#N)c(F)c2)nc1 ZINC001170090747 1023942809 /nfs/dbraw/zinc/94/28/09/1023942809.db2.gz OLWOBQJWLWXMHV-GOSISDBHSA-N 0 3 324.403 3.861 20 30 DHEDHN CCC[C@]1(COC)CCCN1Cc1cn2ccccc2c1C#N ZINC000447400635 1024140614 /nfs/dbraw/zinc/14/06/14/1024140614.db2.gz QLXKTKKTXXIRNM-LJQANCHMSA-N 0 3 311.429 3.592 20 30 DHEDHN COCCOc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000268839190 1024174357 /nfs/dbraw/zinc/17/43/57/1024174357.db2.gz ZBORVMQYNRHEHK-CVEARBPZSA-N 0 3 324.424 3.995 20 30 DHEDHN C#CCCCCN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000130751443 1024209546 /nfs/dbraw/zinc/20/95/46/1024209546.db2.gz HEYMNBXLAHQKSG-IBGZPJMESA-N 0 3 324.399 3.899 20 30 DHEDHN C=CCC[C@H](NCc1nccs1)[C@H]1Cc2ccccc2O1 ZINC000883174145 1024267552 /nfs/dbraw/zinc/26/75/52/1024267552.db2.gz CQVREEWFWMHSNH-GOEBONIOSA-N 0 3 300.427 3.571 20 30 DHEDHN C=CCC[C@H](N[C@H]1CCCc2cn(C(C)C)nc21)[C@H]1CCCO1 ZINC000883216505 1024294143 /nfs/dbraw/zinc/29/41/43/1024294143.db2.gz RDMDCSKHHFSGHA-OKZBNKHCSA-N 0 3 317.477 3.945 20 30 DHEDHN C=CCCC[C@@H](NCc1cnc(N(C)C)n1C)c1ccccc1 ZINC000883324968 1024379144 /nfs/dbraw/zinc/37/91/44/1024379144.db2.gz KNCPOLSBVNKSNR-GOSISDBHSA-N 0 3 312.461 3.673 20 30 DHEDHN C=CC(C)(C)CN[C@@H](C)c1ncc(Br)cc1F ZINC000453311260 1024456203 /nfs/dbraw/zinc/45/62/03/1024456203.db2.gz SELWEMSOEAYWBM-VIFPVBQESA-N 0 3 301.203 3.846 20 30 DHEDHN CC(C)(C)[C@H]1OCCC[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000877038111 1033214514 /nfs/dbraw/zinc/21/45/14/1033214514.db2.gz HROSNBKMTZEMSY-ZFWWWQNUSA-N 0 3 321.852 3.538 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1OC(F)(F)F ZINC000453380465 1024498137 /nfs/dbraw/zinc/49/81/37/1024498137.db2.gz ZVTXURDGIHZZTH-RTXFEEFZSA-N 0 3 301.308 3.579 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2ccc(O)cc21 ZINC000585726472 1024577196 /nfs/dbraw/zinc/57/71/96/1024577196.db2.gz ASCCLGFDVMSXTE-WOJBJXKFSA-N 0 3 304.393 3.918 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000106316634 1024598947 /nfs/dbraw/zinc/59/89/47/1024598947.db2.gz KCEOPVJMKMETBT-UHFFFAOYSA-N 0 3 321.852 3.810 20 30 DHEDHN Cc1nc(C)c([C@H](C)N(C)CCOc2ccc(C#N)cc2)s1 ZINC000106876501 1024606729 /nfs/dbraw/zinc/60/67/29/1024606729.db2.gz DXRPLMZOSKUSCH-ZDUSSCGKSA-N 0 3 315.442 3.703 20 30 DHEDHN C[C@@H](CCCC#N)N[C@@H](CO)c1ccc(Cl)cc1Cl ZINC001172489892 1033223167 /nfs/dbraw/zinc/22/31/67/1033223167.db2.gz SBGXJECHABARCK-HZMBPMFUSA-N 0 3 301.217 3.699 20 30 DHEDHN N#Cc1cccc([C@@H](O)CN2Cc3ccccc3C3(CCC3)C2)c1 ZINC001170171988 1024689330 /nfs/dbraw/zinc/68/93/30/1024689330.db2.gz DJWJIWRTSKZSKG-FQEVSTJZSA-N 0 3 318.420 3.529 20 30 DHEDHN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H](C)CCCC#N ZINC001172497797 1033229205 /nfs/dbraw/zinc/22/92/05/1033229205.db2.gz GJOFHMFFMIFLDR-HZPDHXFCSA-N 0 3 323.481 3.790 20 30 DHEDHN C[C@@H](Cc1ccc(Cl)cc1)NC(=N)c1ccc(Cl)cn1 ZINC001168156899 1024708950 /nfs/dbraw/zinc/70/89/50/1024708950.db2.gz WOZAPCMAIXFHCH-JTQLQIEISA-N 0 3 308.212 3.725 20 30 DHEDHN C=CCCCNc1ccc(CN2CCN(C(C)C)CC2)cc1F ZINC001170302181 1024730481 /nfs/dbraw/zinc/73/04/81/1024730481.db2.gz YJXBIPBMZIZPNN-UHFFFAOYSA-N 0 3 319.468 3.730 20 30 DHEDHN CC(C)O[C@H]1C[C@@H](NCC#Cc2ccccc2Cl)C1(C)C ZINC001307778621 1024751272 /nfs/dbraw/zinc/75/12/72/1024751272.db2.gz OMARNRDGOINRBQ-SJORKVTESA-N 0 3 305.849 3.873 20 30 DHEDHN CC(=O)[C@@H]1CCCCN1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395959 1024763401 /nfs/dbraw/zinc/76/34/01/1024763401.db2.gz RHASJAGJBDVJIX-GPJFCIFZSA-N 0 3 310.441 3.834 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N2CCc3cnccc3C2)CC1 ZINC001170379379 1024767313 /nfs/dbraw/zinc/76/73/13/1024767313.db2.gz WKZRJPNTLKKZOI-UHFFFAOYSA-N 0 3 317.436 3.844 20 30 DHEDHN CC(C)(C#N)CCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC000350686020 1024842241 /nfs/dbraw/zinc/84/22/41/1024842241.db2.gz SXROGLIJPGMKNP-UHFFFAOYSA-N 0 3 308.429 3.560 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931916829 1024864653 /nfs/dbraw/zinc/86/46/53/1024864653.db2.gz WSRIKQDJMAWALO-FZMZJTMJSA-N 0 3 312.310 3.986 20 30 DHEDHN N#CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000058338229 1024938687 /nfs/dbraw/zinc/93/86/87/1024938687.db2.gz PZMHYPJYLWHARV-UHFFFAOYSA-N 0 3 311.351 3.521 20 30 DHEDHN CCOCc1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353423086 1025060963 /nfs/dbraw/zinc/06/09/63/1025060963.db2.gz CXXATRXHXUSYFG-FQEVSTJZSA-N 0 3 306.409 3.872 20 30 DHEDHN CCC[C@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000279574411 1025081274 /nfs/dbraw/zinc/08/12/74/1025081274.db2.gz AXNCGBMBFSBGNG-OALUTQOASA-N 0 3 312.388 3.689 20 30 DHEDHN CCC(CC)[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877166892 1033262945 /nfs/dbraw/zinc/26/29/45/1033262945.db2.gz HJRZWZSTHIANMV-HZPDHXFCSA-N 0 3 321.852 3.680 20 30 DHEDHN N#CCCCOc1cccc(CN2CCC(C(F)F)CC2)c1 ZINC000353679493 1025195195 /nfs/dbraw/zinc/19/51/95/1025195195.db2.gz GYNSZHBFLFSOET-UHFFFAOYSA-N 0 3 308.372 3.846 20 30 DHEDHN C=CCCC1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000353811969 1025256715 /nfs/dbraw/zinc/25/67/15/1025256715.db2.gz FBTPIHGSXWLIHY-HNNXBMFYSA-N 0 3 318.486 3.748 20 30 DHEDHN C#CC[C@@H]1CCCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000829815147 1025283310 /nfs/dbraw/zinc/28/33/10/1025283310.db2.gz FXDYZTSFFRBUOY-CYBMUJFWSA-N 0 3 309.331 3.667 20 30 DHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1C1CCCCC1 ZINC000354475161 1025441005 /nfs/dbraw/zinc/44/10/05/1025441005.db2.gz YCLIBOGOSJYOGG-KRWDZBQOSA-N 0 3 322.412 3.890 20 30 DHEDHN COCc1cccc(CNCc2ccc(SC)c(C#N)c2)c1 ZINC000886277332 1025577666 /nfs/dbraw/zinc/57/76/66/1025577666.db2.gz NLINVVSCCSCPII-UHFFFAOYSA-N 0 3 312.438 3.716 20 30 DHEDHN C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(OCC#N)cc2)C1 ZINC000805750186 1025657030 /nfs/dbraw/zinc/65/70/30/1025657030.db2.gz XVBFFOCOADQIIN-DNVCBOLYSA-N 0 3 307.397 3.567 20 30 DHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000453226888 1025765550 /nfs/dbraw/zinc/76/55/50/1025765550.db2.gz PQCAGVPIQXYYFA-KPZWWZAWSA-N 0 3 307.353 3.805 20 30 DHEDHN COc1cc(CN[C@@H]2CCCNc3ccccc32)ccc1C#N ZINC000353649013 1025858522 /nfs/dbraw/zinc/85/85/22/1025858522.db2.gz MWNYCFPKLXGPDG-GOSISDBHSA-N 0 3 307.397 3.603 20 30 DHEDHN COc1cc(Br)ccc1[C@@H](C)N[C@H](C)CCC#N ZINC000411621316 1026081414 /nfs/dbraw/zinc/08/14/14/1026081414.db2.gz QZCOQIKNZZPCFH-GHMZBOCLSA-N 0 3 311.223 3.801 20 30 DHEDHN CCOc1ccc(Cl)cc1CCNCc1ccc(C#N)o1 ZINC000120511027 1026094144 /nfs/dbraw/zinc/09/41/44/1026094144.db2.gz FEVRFJIUYGCJSX-UHFFFAOYSA-N 0 3 304.777 3.536 20 30 DHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC1CCCC1 ZINC000532939198 1026142947 /nfs/dbraw/zinc/14/29/47/1026142947.db2.gz VDSPWNVRGLUQBI-LBPRGKRZSA-N 0 3 319.836 3.661 20 30 DHEDHN COCCN(CCCc1ccccc1)Cc1ccc(C#N)s1 ZINC000120534728 1026217184 /nfs/dbraw/zinc/21/71/84/1026217184.db2.gz HGQRPJPZMQCQBU-UHFFFAOYSA-N 0 3 314.454 3.701 20 30 DHEDHN C#Cc1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000809542195 1026548602 /nfs/dbraw/zinc/54/86/02/1026548602.db2.gz CNMLMHCXPILNMU-UHFFFAOYSA-N 0 3 313.404 3.834 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OC)cc2C(F)(F)F)cc1 ZINC000809612458 1026563607 /nfs/dbraw/zinc/56/36/07/1026563607.db2.gz NECGIDYUEDMCCC-UHFFFAOYSA-N 0 3 319.326 3.985 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(N(CC)CC)c(F)c2)cc1 ZINC000809619603 1026565437 /nfs/dbraw/zinc/56/54/37/1026565437.db2.gz VFZHFRFTBDUCDS-UHFFFAOYSA-N 0 3 310.416 3.943 20 30 DHEDHN C#C[C@@H](CC)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000809686222 1026593326 /nfs/dbraw/zinc/59/33/26/1026593326.db2.gz BFHXDFBHAQACPJ-IBGZPJMESA-N 0 3 304.393 3.639 20 30 DHEDHN C#C[C@H](CC)NCc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000809686294 1026593941 /nfs/dbraw/zinc/59/39/41/1026593941.db2.gz IHALYZRJRJHEDQ-GOSISDBHSA-N 0 3 308.425 3.779 20 30 DHEDHN C#C[C@@H](NCc1cc(Cl)c(OCC)c(OC)c1)C(C)(C)C ZINC000809781352 1026623196 /nfs/dbraw/zinc/62/31/96/1026623196.db2.gz PGCQVSRHHDITQX-OAHLLOKOSA-N 0 3 309.837 3.885 20 30 DHEDHN CC(C)(C)[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000280636804 1026684768 /nfs/dbraw/zinc/68/47/68/1026684768.db2.gz XWSNDUOCZMNMHR-INIZCTEOSA-N 0 3 324.428 3.866 20 30 DHEDHN COc1ccccc1C[C@@H](C)N(C)Cc1ccc(C#N)cc1OC ZINC000501207688 1026758595 /nfs/dbraw/zinc/75/85/95/1026758595.db2.gz HRXNGURWBQKGJM-OAHLLOKOSA-N 0 3 324.424 3.638 20 30 DHEDHN CN(Cc1ccccc1O)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811457358 1027005062 /nfs/dbraw/zinc/00/50/62/1027005062.db2.gz KXIJKDNJSPJSDO-UHFFFAOYSA-N 0 3 320.314 3.915 20 30 DHEDHN CC1(C)[C@H](c2ccccc2F)CCN1Cc1cncc(C#N)c1 ZINC000931553013 1027166274 /nfs/dbraw/zinc/16/62/74/1027166274.db2.gz APBSOFQTAALBNV-KRWDZBQOSA-N 0 3 309.388 3.860 20 30 DHEDHN CC(C)OCCON=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000812239164 1027217471 /nfs/dbraw/zinc/21/74/71/1027217471.db2.gz NRKSCJJJHBJBRA-ZYNUAKMPSA-N 0 3 302.418 3.725 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc2c(n1)CCC2 ZINC000573081427 1027261600 /nfs/dbraw/zinc/26/16/00/1027261600.db2.gz MHDBUJAMBBZSJR-UHFFFAOYSA-N 0 3 305.425 3.854 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(C)(C)C)oc2C)CC1 ZINC000932144000 1027380342 /nfs/dbraw/zinc/38/03/42/1027380342.db2.gz KPMDKEVBTKYCKL-UHFFFAOYSA-N 0 3 318.461 3.656 20 30 DHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(F)cc(CC#N)c1 ZINC001170686699 1027409957 /nfs/dbraw/zinc/40/99/57/1027409957.db2.gz ZSYBVEBVRRVGPG-ZDUSSCGKSA-N 0 3 320.371 3.764 20 30 DHEDHN C[C@H](CCC#N)N[C@H]1CCOc2ccc(Br)cc21 ZINC000932204985 1027412510 /nfs/dbraw/zinc/41/25/10/1027412510.db2.gz BKOAQYQHPZGNTN-MFKMUULPSA-N 0 3 309.207 3.555 20 30 DHEDHN Cc1ccccc1NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000362946436 1027458942 /nfs/dbraw/zinc/45/89/42/1027458942.db2.gz BIWONBGZUDJZPC-UHFFFAOYSA-N 0 3 305.425 3.943 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCC#N)cc1 ZINC000813060271 1027507828 /nfs/dbraw/zinc/50/78/28/1027507828.db2.gz UCKOZBFOZPKKOS-BBRMVZONSA-N 0 3 311.385 3.541 20 30 DHEDHN N#CCCCN1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000932551535 1027539075 /nfs/dbraw/zinc/53/90/75/1027539075.db2.gz KJOWYMSRRFTPEW-UHFFFAOYSA-N 0 3 312.442 3.688 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H](n3cnc4ccccc43)C2)cc1 ZINC000363483166 1027649983 /nfs/dbraw/zinc/64/99/83/1027649983.db2.gz FNJKLBLZPQDYRC-GOSISDBHSA-N 0 3 316.408 3.745 20 30 DHEDHN Cc1ccc(F)cc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000576738069 1027653282 /nfs/dbraw/zinc/65/32/82/1027653282.db2.gz SQGHUKLAGLNMKM-UHFFFAOYSA-N 0 3 312.388 3.654 20 30 DHEDHN COc1cc(CN[C@H]2CCCc3c(OC)cccc32)ccc1C#N ZINC000576792827 1027661827 /nfs/dbraw/zinc/66/18/27/1027661827.db2.gz KFQYMYAGUDZGNK-SFHVURJKSA-N 0 3 322.408 3.743 20 30 DHEDHN N#Cc1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000813854925 1027729998 /nfs/dbraw/zinc/72/99/98/1027729998.db2.gz IDUUNNQTCOOXJA-FXAWDEMLSA-N 0 3 324.399 3.955 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@H](O)c1cccc(Cl)c1 ZINC000778996966 1027739841 /nfs/dbraw/zinc/73/98/41/1027739841.db2.gz XWEKXWIABYNWCE-KRWDZBQOSA-N 0 3 305.805 3.697 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cc(F)ccc1O ZINC000779000049 1027757467 /nfs/dbraw/zinc/75/74/67/1027757467.db2.gz ORWKDDUNSUMBIQ-UHFFFAOYSA-N 0 3 301.361 3.728 20 30 DHEDHN C=CC1CCN(CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000600681594 1027783051 /nfs/dbraw/zinc/78/30/51/1027783051.db2.gz YPTQRBSILDUKHB-UHFFFAOYSA-N 0 3 314.473 3.712 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000778178296 1027792911 /nfs/dbraw/zinc/79/29/11/1027792911.db2.gz LCXORTQEWDQCGD-RDTXWAMCSA-N 0 3 321.848 3.645 20 30 DHEDHN CC(C)(C#N)CCCCN1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000365444721 1027948627 /nfs/dbraw/zinc/94/86/27/1027948627.db2.gz TWKNVARIPCUSJD-UHFFFAOYSA-N 0 3 314.355 3.507 20 30 DHEDHN COc1ccc(C(C)=NOCC2CC2)cc1CN1CCCCC1 ZINC000814245129 1027970325 /nfs/dbraw/zinc/97/03/25/1027970325.db2.gz SIDDTEFVAGFAAA-UHFFFAOYSA-N 0 3 316.445 3.832 20 30 DHEDHN COc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1Cl ZINC000577921759 1027991299 /nfs/dbraw/zinc/99/12/99/1027991299.db2.gz VCFZZTHLQUBJEG-KRWDZBQOSA-N 0 3 312.800 3.997 20 30 DHEDHN COc1cncc(CN[C@@H](CCCC#N)c2ccccc2)c1C ZINC000601123612 1027994375 /nfs/dbraw/zinc/99/43/75/1027994375.db2.gz GNRSHUFDIOGEBV-SFHVURJKSA-N 0 3 309.413 3.923 20 30 DHEDHN COc1ccc2c(c1)CC[C@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000601274215 1028054203 /nfs/dbraw/zinc/05/42/03/1028054203.db2.gz RWPLLLOHZFPLDI-LJQANCHMSA-N 0 3 304.393 3.833 20 30 DHEDHN COc1ccc([C@H](N[C@H](C)c2cccc(C#N)c2)C2CC2)cn1 ZINC000528042227 1028058222 /nfs/dbraw/zinc/05/82/22/1028058222.db2.gz DSBYNOQYLGXPEO-BFUOFWGJSA-N 0 3 307.397 3.764 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc(CC#N)cc2)cc1OC ZINC000563716560 1028175268 /nfs/dbraw/zinc/17/52/68/1028175268.db2.gz XFWQRQIVYHJIAD-UHFFFAOYSA-N 0 3 322.408 3.616 20 30 DHEDHN C=CCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC000449043799 1028308414 /nfs/dbraw/zinc/30/84/14/1028308414.db2.gz ZZGYCBLBDPNHSA-SFHVURJKSA-N 0 3 312.457 3.514 20 30 DHEDHN N#CCCn1cc(CN2CC(C3CCC3)C2)c(-c2ccccc2)n1 ZINC000368581651 1028376110 /nfs/dbraw/zinc/37/61/10/1028376110.db2.gz CCPRQFZZDYDILW-UHFFFAOYSA-N 0 3 320.440 3.696 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000368855524 1028416411 /nfs/dbraw/zinc/41/64/11/1028416411.db2.gz KOUXLHIOHVZFLK-CYBMUJFWSA-N 0 3 322.412 3.759 20 30 DHEDHN CC1(C#N)CCC(NCc2csc(-c3ccco3)n2)CC1 ZINC000449196507 1028433654 /nfs/dbraw/zinc/43/36/54/1028433654.db2.gz XJVUNSRRJFRAPI-UHFFFAOYSA-N 0 3 301.415 3.965 20 30 DHEDHN CC(C)COC(=O)N1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000369364013 1028481697 /nfs/dbraw/zinc/48/16/97/1028481697.db2.gz TVNIDEQKFBRNOH-UHFFFAOYSA-N 0 3 323.481 3.507 20 30 DHEDHN CC(C)Oc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000075771473 1028535448 /nfs/dbraw/zinc/53/54/48/1028535448.db2.gz QYFLEALIKYLQFT-UHFFFAOYSA-N 0 3 310.397 3.666 20 30 DHEDHN CC(C)Oc1cccc(CNCc2ccc(OCC#N)cc2)c1 ZINC000075810183 1028536148 /nfs/dbraw/zinc/53/61/48/1028536148.db2.gz IBAXIOHIUGNHCE-UHFFFAOYSA-N 0 3 310.397 3.666 20 30 DHEDHN CC(C)CN(Cc1ccc(C#N)cn1)[C@H]1CCCc2cccnc21 ZINC000565155766 1028549434 /nfs/dbraw/zinc/54/94/34/1028549434.db2.gz GGRXXANNVDBVAP-IBGZPJMESA-N 0 3 320.440 3.884 20 30 DHEDHN C[C@@H](NC1CCOCC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370662615 1028632109 /nfs/dbraw/zinc/63/21/09/1028632109.db2.gz MYEYNFPQEBRIGP-GFCCVEGCSA-N 0 3 313.426 3.511 20 30 DHEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)C(C)(F)F ZINC000815922480 1028651589 /nfs/dbraw/zinc/65/15/89/1028651589.db2.gz PUAWMOWDHDVVDH-ONGXEEELSA-N 0 3 321.352 3.673 20 30 DHEDHN CN(Cc1cccc(OCCCC#N)c1)[C@H](CO)c1ccccc1 ZINC000449454027 1028660938 /nfs/dbraw/zinc/66/09/38/1028660938.db2.gz OEFYQNPQNOOKMR-HXUWFJFHSA-N 0 3 324.424 3.535 20 30 DHEDHN CN(Cc1cccc(C#N)c1)Cc1cccc(-c2cnn(C)c2)c1 ZINC000371391959 1028703621 /nfs/dbraw/zinc/70/36/21/1028703621.db2.gz IOICFNXXIPMDFX-UHFFFAOYSA-N 0 3 316.408 3.591 20 30 DHEDHN COc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041547724 1028750983 /nfs/dbraw/zinc/75/09/83/1028750983.db2.gz UJMCAOIKNZLCIL-OAHLLOKOSA-N 0 3 320.348 3.645 20 30 DHEDHN Cc1ccsc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000567255439 1028865195 /nfs/dbraw/zinc/86/51/95/1028865195.db2.gz YVUHRWMIWZBHDQ-UHFFFAOYSA-N 0 3 300.427 3.577 20 30 DHEDHN C[C@@H]1[C@@H](OC(=O)CC(C)(C)C#N)CCCN1Cc1ccccc1 ZINC000816472110 1028902378 /nfs/dbraw/zinc/90/23/78/1028902378.db2.gz VAECWTOVMCITNE-WBVHZDCISA-N 0 3 314.429 3.523 20 30 DHEDHN C=CCC[C@H](CO)NCc1cc(C(F)(F)F)ccc1Cl ZINC000449701440 1028922530 /nfs/dbraw/zinc/92/25/30/1028922530.db2.gz WIDLIQFSMGZXAJ-GFCCVEGCSA-N 0 3 307.743 3.776 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cocc1C ZINC000528920774 1028931313 /nfs/dbraw/zinc/93/13/13/1028931313.db2.gz ROCTXOUYKGXHEO-OAHLLOKOSA-N 0 3 324.380 3.674 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000567663187 1028937324 /nfs/dbraw/zinc/93/73/24/1028937324.db2.gz FZWIPUJZZZTFNY-VKJFTORMSA-N 0 3 306.413 3.532 20 30 DHEDHN C[C@H]1[C@H](c2ccccc2)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567739209 1028945965 /nfs/dbraw/zinc/94/59/65/1028945965.db2.gz FROXCIAALWZGIT-KBXCAEBGSA-N 0 3 321.380 3.844 20 30 DHEDHN N#CC(C(=O)C[C@@H]1C=CCCC1)C(=O)Nc1ccccc1Cl ZINC000778606569 1028948537 /nfs/dbraw/zinc/94/85/37/1028948537.db2.gz YXRCQTKAOOQOCH-OLZOCXBDSA-N 0 3 316.788 3.734 20 30 DHEDHN C=CCC[C@@H](CCC)NCc1nnc(-c2ccncc2F)s1 ZINC000373469105 1029054155 /nfs/dbraw/zinc/05/41/55/1029054155.db2.gz MGBXAYCHPDLVGO-GFCCVEGCSA-N 0 3 320.437 3.964 20 30 DHEDHN C=CCC[C@@H](NCc1nnc(-c2ccncc2F)s1)C1CC1 ZINC000373561623 1029080720 /nfs/dbraw/zinc/08/07/20/1029080720.db2.gz NHZXYDMTXDLXQR-CQSZACIVSA-N 0 3 318.421 3.574 20 30 DHEDHN C[C@@H](CCC#N)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000411325137 1029102538 /nfs/dbraw/zinc/10/25/38/1029102538.db2.gz NQCFRMNWXMDLBK-KBPBESRZSA-N 0 3 303.475 3.894 20 30 DHEDHN N#CCOc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817280640 1029109827 /nfs/dbraw/zinc/10/98/27/1029109827.db2.gz BUIYCOHUTGCTKN-CQSZACIVSA-N 0 3 312.335 3.753 20 30 DHEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000411679884 1029182942 /nfs/dbraw/zinc/18/29/42/1029182942.db2.gz MZXQZAMFASNZFS-LMMKCTJWSA-N 0 3 320.477 3.509 20 30 DHEDHN C=CC[C@@H](C)N[C@H](c1nc(Br)cs1)C1CC1 ZINC000817582458 1029209168 /nfs/dbraw/zinc/20/91/68/1029209168.db2.gz YCZBDEMXBOCIMR-KCJUWKMLSA-N 0 3 301.253 3.911 20 30 DHEDHN Cc1cc(-c2ccccc2)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000818056141 1029338525 /nfs/dbraw/zinc/33/85/25/1029338525.db2.gz QVVAXIBUWWYGTC-KRWDZBQOSA-N 0 3 307.397 3.622 20 30 DHEDHN C=CCCCCN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000570277702 1029341007 /nfs/dbraw/zinc/34/10/07/1029341007.db2.gz UEBUOCKZGAQQOI-CQSZACIVSA-N 0 3 324.350 3.859 20 30 DHEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001136201192 1029515263 /nfs/dbraw/zinc/51/52/63/1029515263.db2.gz ZMAYVGFCXIJETI-QFBILLFUSA-N 0 3 314.473 3.542 20 30 DHEDHN CCCc1ccc2nccc(N3CCC(C#N)(COC)CC3)c2c1 ZINC000450518864 1029526517 /nfs/dbraw/zinc/52/65/17/1029526517.db2.gz RFYIKJWSAWWXLM-UHFFFAOYSA-N 0 3 323.440 3.944 20 30 DHEDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1CCOc1cccc(C#N)c1 ZINC000451405318 1029868056 /nfs/dbraw/zinc/86/80/56/1029868056.db2.gz CRKXHBIWPJHGDY-TZMCWYRMSA-N 0 3 312.335 3.600 20 30 DHEDHN C[C@H]1C[C@H](C(F)(F)F)CCN1CCOc1ccc(C#N)cc1 ZINC000451418962 1029872361 /nfs/dbraw/zinc/87/23/61/1029872361.db2.gz NSEHWUPVRCFPTQ-GXTWGEPZSA-N 0 3 312.335 3.600 20 30 DHEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2Cl)C12CCC2 ZINC000451481520 1029880060 /nfs/dbraw/zinc/88/00/60/1029880060.db2.gz RKEXGLYICPWVEJ-HOTGVXAUSA-N 0 3 304.821 3.649 20 30 DHEDHN CN(CCOc1ccccc1C#N)Cc1cc2ccccc2o1 ZINC000530627465 1029935535 /nfs/dbraw/zinc/93/55/35/1029935535.db2.gz YWWOIMAASDUZFY-UHFFFAOYSA-N 0 3 306.365 3.815 20 30 DHEDHN C[C@H](Cc1ccccc1Br)NCC1(C#N)CCC1 ZINC001256824008 1029972516 /nfs/dbraw/zinc/97/25/16/1029972516.db2.gz ISRXXKOQNFJQOD-GFCCVEGCSA-N 0 3 307.235 3.664 20 30 DHEDHN N#Cc1ccc2c(c1)CCN([C@@H]1CCc3cccc(F)c3C1)C2 ZINC001170983223 1029972826 /nfs/dbraw/zinc/97/28/26/1029972826.db2.gz CCEYNMAOBZVJSH-GOSISDBHSA-N 0 3 306.384 3.613 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](C)CC1 ZINC000357393769 1030032053 /nfs/dbraw/zinc/03/20/53/1030032053.db2.gz XGJZNXZJDWNJLV-HOTGVXAUSA-N 0 3 320.502 3.773 20 30 DHEDHN C#C[C@H](N[C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000822485211 1030041547 /nfs/dbraw/zinc/04/15/47/1030041547.db2.gz IHLUQNOQHQXFKZ-CENPHQPOSA-N 0 3 303.833 3.808 20 30 DHEDHN N=C(N[C@H]1CCc2c(Cl)cccc2C1)c1ccc(Cl)cn1 ZINC001171017827 1030288995 /nfs/dbraw/zinc/28/89/95/1030288995.db2.gz MAFPHIFCXDGIMW-LBPRGKRZSA-N 0 3 320.223 3.651 20 30 DHEDHN C[C@H](NCc1ccc(C2(C)OCCO2)cc1)c1ccc(C#N)cc1 ZINC000866421758 1030289807 /nfs/dbraw/zinc/28/98/07/1030289807.db2.gz BMLQGNCEKGOOID-HNNXBMFYSA-N 0 3 322.408 3.629 20 30 DHEDHN CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(OC)c1OC ZINC000866509452 1030332769 /nfs/dbraw/zinc/33/27/69/1030332769.db2.gz YQNBTIFFIFSZEJ-DZKIICNBSA-N 0 3 302.418 3.827 20 30 DHEDHN CCN1CCN(c2ccc(N[C@H](C)CC(C)(C)C#N)cc2)CC1 ZINC000925730065 1030466985 /nfs/dbraw/zinc/46/69/85/1030466985.db2.gz NJHFFSYQUHRRMM-MRXNPFEDSA-N 0 3 314.477 3.569 20 30 DHEDHN CCc1ccc(CN(C)CCOCc2ccc(C#N)cc2)s1 ZINC000558423746 1030571032 /nfs/dbraw/zinc/57/10/32/1030571032.db2.gz QNZJMKUPEAPACR-UHFFFAOYSA-N 0 3 314.454 3.831 20 30 DHEDHN CC[C@@H](CSC)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000358734597 1030605027 /nfs/dbraw/zinc/60/50/27/1030605027.db2.gz FHHVMXOKHYDTLM-ZDUSSCGKSA-N 0 3 314.401 3.733 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(C)(C)O)cc1 ZINC000926550831 1030794690 /nfs/dbraw/zinc/79/46/90/1030794690.db2.gz PFGWDWOQXZKSLU-CYBMUJFWSA-N 0 3 312.388 3.776 20 30 DHEDHN C=CCCSCCN[C@@H](C)c1cccc(Br)n1 ZINC000926685233 1030858353 /nfs/dbraw/zinc/85/83/53/1030858353.db2.gz MAGZNLQNNHJBOQ-NSHDSACASA-N 0 3 315.280 3.804 20 30 DHEDHN C#CC[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000844001507 1030929885 /nfs/dbraw/zinc/92/98/85/1030929885.db2.gz MTLVBZWNJLISAO-SFHVURJKSA-N 0 3 324.468 3.548 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccc(C#N)c(F)c1 ZINC000926918192 1030992074 /nfs/dbraw/zinc/99/20/74/1030992074.db2.gz HIEAGIBXTKBCJK-CHWSQXEVSA-N 0 3 310.372 3.872 20 30 DHEDHN Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1C#N ZINC000926966747 1031019307 /nfs/dbraw/zinc/01/93/07/1031019307.db2.gz MXIWINMEPKTCPC-FQEVSTJZSA-N 0 3 301.393 3.906 20 30 DHEDHN Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1C#N ZINC000926967187 1031020124 /nfs/dbraw/zinc/02/01/24/1031020124.db2.gz QAIKRQAMCOGUSX-CQSZACIVSA-N 0 3 309.369 3.934 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1c2ccccc2CC[C@H]1O ZINC000927142093 1031117503 /nfs/dbraw/zinc/11/75/03/1031117503.db2.gz YQXCWNXOAMJIOT-NJYVYQBISA-N 0 3 318.420 3.574 20 30 DHEDHN Cc1c(O)cccc1CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001144120416 1031257405 /nfs/dbraw/zinc/25/74/05/1031257405.db2.gz LFBQRLHYLXNFCU-LJQANCHMSA-N 0 3 322.408 3.616 20 30 DHEDHN C#CCOc1ccc(CN[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000272501434 1031274953 /nfs/dbraw/zinc/27/49/53/1031274953.db2.gz GPMUSWFVHCXJGN-MRXNPFEDSA-N 0 3 312.438 3.631 20 30 DHEDHN COc1cc(CNCc2ccc(C(C)(F)F)cc2)ccc1C#N ZINC000292971737 1031275641 /nfs/dbraw/zinc/27/56/41/1031275641.db2.gz MHXZMFPBXIQECE-UHFFFAOYSA-N 0 3 316.351 3.968 20 30 DHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCC[C@@H](C)C1 ZINC000360627739 1031497859 /nfs/dbraw/zinc/49/78/59/1031497859.db2.gz COTDLNPENVVURL-CHWSQXEVSA-N 0 3 319.836 3.661 20 30 DHEDHN N#Cc1ccc(CN(C[C@H]2CC[C@H](C(F)(F)F)O2)C2CC2)cc1 ZINC000929368011 1031504373 /nfs/dbraw/zinc/50/43/73/1031504373.db2.gz UGZJTUCIZOXEML-HZPDHXFCSA-N 0 3 324.346 3.633 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000537222248 1031544114 /nfs/dbraw/zinc/54/41/14/1031544114.db2.gz ZLSOJUXFHYAOTP-LJQANCHMSA-N 0 3 318.436 3.599 20 30 DHEDHN C=CCN(Cc1ccc(C(=O)OC)cc1F)C1CCCCC1 ZINC001144450423 1031608931 /nfs/dbraw/zinc/60/89/31/1031608931.db2.gz UMDJQEBKUSQTGO-UHFFFAOYSA-N 0 3 305.393 3.933 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cnc(Cl)cc1Cl ZINC001171185560 1031609107 /nfs/dbraw/zinc/60/91/07/1031609107.db2.gz QQICYSHZJGRGMJ-NSHDSACASA-N 0 3 320.223 3.981 20 30 DHEDHN COc1ccc2ccc(O)c(CN(C)[C@@H]3CCC[C@H]3C#N)c2c1 ZINC000872681055 1031643915 /nfs/dbraw/zinc/64/39/15/1031643915.db2.gz DOOCVCUJOUGNBD-KBXCAEBGSA-N 0 3 310.397 3.678 20 30 DHEDHN COc1cncc(CN2CCC(c3ccc(C#N)cc3)CC2)c1C ZINC000897588780 1031664450 /nfs/dbraw/zinc/66/44/50/1031664450.db2.gz NFMXALDVWROHQT-UHFFFAOYSA-N 0 3 321.424 3.650 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](CCCO)c2ccccc2)cc1 ZINC000124393739 1031707711 /nfs/dbraw/zinc/70/77/11/1031707711.db2.gz MQSZUBMVBZJDBK-JXFKEZNVSA-N 0 3 324.424 3.581 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000930208784 1031735574 /nfs/dbraw/zinc/73/55/74/1031735574.db2.gz WMGVIHKJBDHLAE-CQSZACIVSA-N 0 3 309.369 3.934 20 30 DHEDHN CC[C@H](C)n1ncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000361195354 1031782601 /nfs/dbraw/zinc/78/26/01/1031782601.db2.gz ZTKGMXCZFAXSKL-AAEUAGOBSA-N 0 3 321.384 3.529 20 30 DHEDHN CCN(CC1CCC1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000361481321 1031945275 /nfs/dbraw/zinc/94/52/75/1031945275.db2.gz LPUDZNDNLLVUJZ-LBPRGKRZSA-N 0 3 319.836 3.661 20 30 DHEDHN N#CC(C(=O)c1cccc2nccnc21)c1nccc2ccccc21 ZINC000361531055 1031974286 /nfs/dbraw/zinc/97/42/86/1031974286.db2.gz OGABBGZWXGGRHP-INIZCTEOSA-N 0 3 324.343 3.668 20 30 DHEDHN Cn1cc(CN2CCC[C@@H]2Cc2ccccc2Cl)cc1C#N ZINC000361547705 1031979435 /nfs/dbraw/zinc/97/94/35/1031979435.db2.gz GPHGQEBJHVNOIK-MRXNPFEDSA-N 0 3 313.832 3.757 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(=O)[C@H](C)C12CCCC2 ZINC001171231711 1032000043 /nfs/dbraw/zinc/00/00/43/1032000043.db2.gz LIQMBHOONVILPR-CVEARBPZSA-N 0 3 310.441 3.713 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000898324156 1032022594 /nfs/dbraw/zinc/02/25/94/1032022594.db2.gz CHXJLEBISHFQKT-IFXJQAMLSA-N 0 3 307.397 3.613 20 30 DHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000136958977 1033317202 /nfs/dbraw/zinc/31/72/02/1033317202.db2.gz ZGUSWYQQFOSCPS-FVQBIDKESA-N 0 3 301.390 3.588 20 30 DHEDHN N#CC(C(=O)c1ccc2c(c1)CCO2)c1nc2ccccc2s1 ZINC000041498852 1033322682 /nfs/dbraw/zinc/32/26/82/1033322682.db2.gz HJGASYCTKUVHMJ-ZDUSSCGKSA-N 0 3 320.373 3.721 20 30 DHEDHN N#CC(C(=O)c1ccc2c(c1)CCO2)c1nc2ccccc2s1 ZINC000041498856 1033323752 /nfs/dbraw/zinc/32/37/52/1033323752.db2.gz HJGASYCTKUVHMJ-CYBMUJFWSA-N 0 3 320.373 3.721 20 30 DHEDHN N=C(NC1CCC(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC001172817868 1033381894 /nfs/dbraw/zinc/38/18/94/1033381894.db2.gz BMEJPDCEGRNCQR-UHFFFAOYSA-N 0 3 311.404 3.728 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C23CC(C2)C3)cc1 ZINC000860472352 1033390595 /nfs/dbraw/zinc/39/05/95/1033390595.db2.gz IGVZRTLBHMXRND-PGCOXKQFSA-N 0 3 310.397 3.648 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)c2ccco2)cc1 ZINC000860470680 1033391620 /nfs/dbraw/zinc/39/16/20/1033391620.db2.gz TWMLXOKOUYHUDU-CZUORRHYSA-N 0 3 324.380 3.683 20 30 DHEDHN CN(CCc1cccc(C#N)c1)Cc1cnc(C2CCC2)s1 ZINC000877704952 1033417372 /nfs/dbraw/zinc/41/73/72/1033417372.db2.gz YJSJPBVIBOBXOJ-UHFFFAOYSA-N 0 3 311.454 3.957 20 30 DHEDHN C=C[C@@](C)(O)CN1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001252556792 1033553238 /nfs/dbraw/zinc/55/32/38/1033553238.db2.gz FCFNAFXGHCMONS-IAQYHMDHSA-N 0 3 300.229 3.720 20 30 DHEDHN Cc1ccc2[nH]c([C@H]3CCCN(Cc4ccc(C#N)o4)C3)nc2c1 ZINC000878323401 1033657485 /nfs/dbraw/zinc/65/74/85/1033657485.db2.gz XCCSVBOYMRAAJG-AWEZNQCLSA-N 0 3 320.396 3.716 20 30 DHEDHN Cc1ccc2nc([C@H]3CCCN(Cc4ccc(C#N)o4)C3)[nH]c2c1 ZINC000878323401 1033657489 /nfs/dbraw/zinc/65/74/89/1033657489.db2.gz XCCSVBOYMRAAJG-AWEZNQCLSA-N 0 3 320.396 3.716 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000878334194 1033661704 /nfs/dbraw/zinc/66/17/04/1033661704.db2.gz QTAQECQAIMWIMG-IBGZPJMESA-N 0 3 308.425 3.749 20 30 DHEDHN N#CCC1CCC(NCC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001173330339 1033689348 /nfs/dbraw/zinc/68/93/48/1033689348.db2.gz QIDUEFVPRJBFKN-UHFFFAOYSA-N 0 3 324.346 3.950 20 30 DHEDHN N#CCCOCCN(Cc1ccc(F)cc1F)C1CCCC1 ZINC000339030675 1033690964 /nfs/dbraw/zinc/69/09/64/1033690964.db2.gz YLSHUCWBTLNEKK-UHFFFAOYSA-N 0 3 308.372 3.640 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1CCC(C2CC2)CC1)c1ccccc1 ZINC000878640893 1033777586 /nfs/dbraw/zinc/77/75/86/1033777586.db2.gz NJASGZSCEXWMLK-FQEVSTJZSA-N 0 3 310.441 3.549 20 30 DHEDHN CC1(C#N)CCC(N[C@H](c2ccccc2)c2cccnn2)CC1 ZINC001173593342 1033780147 /nfs/dbraw/zinc/78/01/47/1033780147.db2.gz NJTRKRPCOWLCAJ-CUYAVPTFSA-N 0 3 306.413 3.628 20 30 DHEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C12CCCCC2 ZINC000553777195 1033832079 /nfs/dbraw/zinc/83/20/79/1033832079.db2.gz MCCLTCXTETWRLI-MSOLQXFVSA-N 0 3 316.420 3.915 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2cc(Cl)c(OCC)c(OC)c2)C1 ZINC000862443199 1033855415 /nfs/dbraw/zinc/85/54/15/1033855415.db2.gz LQHDHKRIHVDMRG-CYBMUJFWSA-N 0 3 307.821 3.593 20 30 DHEDHN N#Cc1ccc(C2CCN(CC[C@H]3CC3(Cl)Cl)CC2)nc1 ZINC000879023052 1033898246 /nfs/dbraw/zinc/89/82/46/1033898246.db2.gz HFKAGYSPHBADOG-AWEZNQCLSA-N 0 3 324.255 3.717 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1C[C@@H]2CCCC[C@@]21C)c1ccccc1 ZINC000879062216 1033911067 /nfs/dbraw/zinc/91/10/67/1033911067.db2.gz HZFZYQILGGYWGM-UFYCRDLUSA-N 0 3 310.441 3.692 20 30 DHEDHN COc1ccc(CNCc2ccc(OC(C)C)cc2)cc1C#N ZINC000174262818 1033917408 /nfs/dbraw/zinc/91/74/08/1033917408.db2.gz RUDHNJWOEOFTDM-UHFFFAOYSA-N 0 3 310.397 3.644 20 30 DHEDHN CC(C)(NCc1cc(Cl)ccc1OCC#N)[C@H]1CCCCO1 ZINC000879409480 1034010335 /nfs/dbraw/zinc/01/03/35/1034010335.db2.gz DTERJELZWIIUMZ-MRXNPFEDSA-N 0 3 322.836 3.680 20 30 DHEDHN N#CC1(CCN2Cc3cccnc3N3CCC[C@@H]3C2)CCCCC1 ZINC000879500834 1034033354 /nfs/dbraw/zinc/03/33/54/1034033354.db2.gz YXEYIGUHBATFGJ-GOSISDBHSA-N 0 3 324.472 3.730 20 30 DHEDHN COc1cc(C#N)ccc1CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671794 1034081735 /nfs/dbraw/zinc/08/17/35/1034081735.db2.gz PAVBMZAVTUBFPH-ZIAGYGMSSA-N 0 3 310.319 3.554 20 30 DHEDHN COCc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000339060576 1034154054 /nfs/dbraw/zinc/15/40/54/1034154054.db2.gz LKSKEIXXUSOLBT-UHFFFAOYSA-N 0 3 318.420 3.994 20 30 DHEDHN CCc1cc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)oc1CC ZINC000128723156 1034500039 /nfs/dbraw/zinc/50/00/39/1034500039.db2.gz QVOORSZVWVLDNU-OAHLLOKOSA-N 0 3 324.380 3.674 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1 ZINC000187503103 1034710509 /nfs/dbraw/zinc/71/05/09/1034710509.db2.gz MDOJCMWYMKTFQO-UHFFFAOYSA-N 0 3 323.436 3.606 20 30 DHEDHN CC(C)(CC#N)COC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842338125 1034921226 /nfs/dbraw/zinc/92/12/26/1034921226.db2.gz NTNLUXUJOOFFLF-UHFFFAOYSA-N 0 3 314.429 3.769 20 30 DHEDHN N#Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1F ZINC001175505810 1035016470 /nfs/dbraw/zinc/01/64/70/1035016470.db2.gz IDAGIOZGGBHGFK-UHFFFAOYSA-N 0 3 307.372 3.899 20 30 DHEDHN COc1cc(C#N)cc(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175506677 1035020072 /nfs/dbraw/zinc/02/00/72/1035020072.db2.gz CDUDNODDWBFBEG-UHFFFAOYSA-N 0 3 319.408 3.769 20 30 DHEDHN CN1CCC=C(Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001175577494 1035048586 /nfs/dbraw/zinc/04/85/86/1035048586.db2.gz AAIGDHABCWMZNF-UHFFFAOYSA-N 0 3 305.381 3.982 20 30 DHEDHN CN(C)[C@H]1CCOc2c(Nc3cc(F)cc(C#N)c3)cccc21 ZINC001175689265 1035085459 /nfs/dbraw/zinc/08/54/59/1035085459.db2.gz JGRSEURXCHRVPE-KRWDZBQOSA-N 0 3 311.360 3.826 20 30 DHEDHN CCN(CC)[C@@H](CNc1nc(C)ccc1C#N)c1ccsc1 ZINC000160567665 1035209112 /nfs/dbraw/zinc/20/91/12/1035209112.db2.gz PCUDWRSHBVAMRW-INIZCTEOSA-N 0 3 314.458 3.818 20 30 DHEDHN C#CCN(C[C@@H]1CC[C@H](C2CC2)O1)[C@H]1CCCc2ccccc21 ZINC001176452371 1035271740 /nfs/dbraw/zinc/27/17/40/1035271740.db2.gz KDVNRQAOVZLFMF-SESVDKBCSA-N 0 3 309.453 3.957 20 30 DHEDHN CN(CCOc1ccc(Cl)c(F)c1)Cc1cccc(C#N)c1 ZINC000483517402 1035277469 /nfs/dbraw/zinc/27/74/69/1035277469.db2.gz IZXNCRVEZOEQMG-UHFFFAOYSA-N 0 3 318.779 3.862 20 30 DHEDHN C[C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000192927324 1035278249 /nfs/dbraw/zinc/27/82/49/1035278249.db2.gz RNURSHPJZQJQNT-HNNXBMFYSA-N 0 3 319.408 3.536 20 30 DHEDHN C[C@@H](C#N)OCCN1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176665870 1035310353 /nfs/dbraw/zinc/31/03/53/1035310353.db2.gz ZOTLFIYRMMACQE-WFASDCNBSA-N 0 3 312.866 3.727 20 30 DHEDHN CN(C)c1cccc([C@@H]2CCCN2CC#Cc2ccccc2)c1 ZINC000483962783 1035311043 /nfs/dbraw/zinc/31/10/43/1035311043.db2.gz PIKRFTKKPSJWDA-NRFANRHFSA-N 0 3 304.437 3.941 20 30 DHEDHN C=CCN(CC(=O)NCc1ccccc1F)CC1CCCCC1 ZINC000484517528 1035353579 /nfs/dbraw/zinc/35/35/79/1035353579.db2.gz SSGBVKFTCAECQE-UHFFFAOYSA-N 0 3 318.436 3.510 20 30 DHEDHN C=CC[C@H](NCc1ccc(OCCOC)cc1)c1ccncc1 ZINC001177885731 1035397122 /nfs/dbraw/zinc/39/71/22/1035397122.db2.gz SKSZTIOTRSZOGP-IBGZPJMESA-N 0 3 312.413 3.514 20 30 DHEDHN N#Cc1cc(CNC[C@@H](O)c2cc3ccccc3s2)cs1 ZINC001178041677 1035407466 /nfs/dbraw/zinc/40/74/66/1035407466.db2.gz AOSHTFQSQLLBMD-CQSZACIVSA-N 0 3 314.435 3.658 20 30 DHEDHN CC(C)CCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905082458 1035478352 /nfs/dbraw/zinc/47/83/52/1035478352.db2.gz WPMZMJMJJGIIIB-BVTUPMQUSA-N 0 3 311.385 3.544 20 30 DHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1cccc2ccccc21)C1CC1 ZINC000176532236 1035542974 /nfs/dbraw/zinc/54/29/74/1035542974.db2.gz KSGLPTNJQOWHTL-BLLLJJGKSA-N 0 3 306.365 3.533 20 30 DHEDHN C#C[C@H](N[C@@H](C)c1ccc(OC)c2ccccc21)[C@H]1CCCO1 ZINC000775574863 1035562162 /nfs/dbraw/zinc/56/21/62/1035562162.db2.gz STXJPJOLWUXYNI-ADLFWFRXSA-N 0 3 309.409 3.680 20 30 DHEDHN C#Cc1ccc(CN2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001180143316 1035596848 /nfs/dbraw/zinc/59/68/48/1035596848.db2.gz VWQDYAQKLKHBSN-MOPGFXCFSA-N 0 3 318.464 3.763 20 30 DHEDHN C=CC[N@@H+](CCc1ccccc1)Cc1ccc([O-])c(F)c1F ZINC001180280548 1035644674 /nfs/dbraw/zinc/64/46/74/1035644674.db2.gz KSILAICEPWKGSG-UHFFFAOYSA-N 0 3 303.352 3.901 20 30 DHEDHN C=CC[N@H+](CCc1ccccc1)Cc1ccc([O-])c(F)c1F ZINC001180280548 1035644680 /nfs/dbraw/zinc/64/46/80/1035644680.db2.gz KSILAICEPWKGSG-UHFFFAOYSA-N 0 3 303.352 3.901 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1ccc(O)c(F)c1F ZINC001180280548 1035644691 /nfs/dbraw/zinc/64/46/91/1035644691.db2.gz KSILAICEPWKGSG-UHFFFAOYSA-N 0 3 303.352 3.901 20 30 DHEDHN COc1ccccc1C[C@H](C)N(C)Cc1cc(C#N)ccc1OC ZINC000325425424 1035720192 /nfs/dbraw/zinc/72/01/92/1035720192.db2.gz XYJKQQSTBFJNDA-HNNXBMFYSA-N 0 3 324.424 3.638 20 30 DHEDHN CC(C)(C)[C@@H](COc1ccccc1F)NCc1ccc(C#N)o1 ZINC000539501626 1035753336 /nfs/dbraw/zinc/75/33/36/1035753336.db2.gz YQZLLUXZHZEPHK-QGZVFWFLSA-N 0 3 316.376 3.874 20 30 DHEDHN CCCC[C@@H](CC)COC(=O)N1CCC2SC(=O)C=C2C1 ZINC001193952638 1035770318 /nfs/dbraw/zinc/77/03/18/1035770318.db2.gz FJJHKDNJKKCWPK-TZMCWYRMSA-N 0 3 311.447 3.614 20 30 DHEDHN C=C(CC)CN1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001194165739 1035854085 /nfs/dbraw/zinc/85/40/85/1035854085.db2.gz VAHNVNHTCSCWCA-DLBZAZTESA-N 0 3 308.466 3.676 20 30 DHEDHN CCCCO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C1(C)C ZINC001194190994 1035868487 /nfs/dbraw/zinc/86/84/87/1035868487.db2.gz MWOKRKFUOWOHDD-QZTJIDSGSA-N 0 3 316.445 3.640 20 30 DHEDHN COc1cc(C)ccc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000540188999 1035997664 /nfs/dbraw/zinc/99/76/64/1035997664.db2.gz OXKWWFMJTCDCMT-HNNXBMFYSA-N 0 3 310.397 3.605 20 30 DHEDHN C=CCC[C@H](NCC(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000540458898 1036070949 /nfs/dbraw/zinc/07/09/49/1036070949.db2.gz YIBDXJKRKHYFRU-FQEVSTJZSA-N 0 3 322.452 3.908 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c([O-])c1 ZINC000775628801 1036096332 /nfs/dbraw/zinc/09/63/32/1036096332.db2.gz AFKONVKGMZORCD-GMJWCLINSA-N 0 3 318.461 3.717 20 30 DHEDHN C[C@H](C[N@H+](C)Cc1ccccc1)/N=C\c1cc(Cl)ccc1[O-] ZINC000775630471 1036116626 /nfs/dbraw/zinc/11/66/26/1036116626.db2.gz LNGXUHJIFMLVJX-LPKQHDGYSA-N 0 3 316.832 3.985 20 30 DHEDHN C[C@H](C[N@@H+](C)Cc1ccccc1)/N=C\c1cc(Cl)ccc1[O-] ZINC000775630471 1036116631 /nfs/dbraw/zinc/11/66/31/1036116631.db2.gz LNGXUHJIFMLVJX-LPKQHDGYSA-N 0 3 316.832 3.985 20 30 DHEDHN CC(C)P(CCNC(=O)CCc1cccc(C#N)c1)C(C)C ZINC001182342939 1036240663 /nfs/dbraw/zinc/24/06/63/1036240663.db2.gz KGICVWVXPMKJDT-UHFFFAOYSA-N 0 3 318.401 3.906 20 30 DHEDHN C#CC[C@H]1CCCN(Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001195464487 1036253008 /nfs/dbraw/zinc/25/30/08/1036253008.db2.gz VSALEFIYKGGLDW-SFHVURJKSA-N 0 3 320.436 3.896 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@H](O)c1ccc(F)cc1Cl ZINC000775657090 1036256427 /nfs/dbraw/zinc/25/64/27/1036256427.db2.gz GDNYZMFEVXGQFL-KRWDZBQOSA-N 0 3 323.795 3.836 20 30 DHEDHN COc1cc(C#N)ccc1CN1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001195695464 1036316752 /nfs/dbraw/zinc/31/67/52/1036316752.db2.gz XJBTVMHOKUTVTP-AWEZNQCLSA-N 0 3 324.399 3.868 20 30 DHEDHN N#Cc1ccc(CN2CCC3(CCc4ccccc4C3)CC2)o1 ZINC001195766339 1036334138 /nfs/dbraw/zinc/33/41/38/1036334138.db2.gz CYXZBJMEAUKWOD-UHFFFAOYSA-N 0 3 306.409 3.922 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000464435716 1036355646 /nfs/dbraw/zinc/35/56/46/1036355646.db2.gz GDTPVPHTCCFXTI-BQFCYCMXSA-N 0 3 300.446 3.540 20 30 DHEDHN COc1ccc(-c2nc(CNCCCCC#N)cs2)cc1 ZINC000609140505 1036442482 /nfs/dbraw/zinc/44/24/82/1036442482.db2.gz YFIRQDWEYRRFQK-UHFFFAOYSA-N 0 3 301.415 3.602 20 30 DHEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)C2(Cl)CC2)ccc1OC ZINC000925396479 1036551834 /nfs/dbraw/zinc/55/18/34/1036551834.db2.gz KWFYZSXHISCSOD-TZMCWYRMSA-N 0 3 322.836 3.626 20 30 DHEDHN CCCCCCCC[C@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001273739096 1036711345 /nfs/dbraw/zinc/71/13/45/1036711345.db2.gz XHWAJOYUIDNZSI-XLAORIBOSA-N 0 3 306.494 3.536 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H]2CCc3c2cccc3OC)cc1 ZINC000151909455 1036717784 /nfs/dbraw/zinc/71/77/84/1036717784.db2.gz POIITTYDGRNBJU-HXUWFJFHSA-N 0 3 321.420 3.874 20 30 DHEDHN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)CCC(C)(C)C#N ZINC000495641467 1036805676 /nfs/dbraw/zinc/80/56/76/1036805676.db2.gz PNRXHTIKDRRBFV-CQSZACIVSA-N 0 3 315.417 3.576 20 30 DHEDHN C=CCn1cccc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000488211642 1036907169 /nfs/dbraw/zinc/90/71/69/1036907169.db2.gz AVVMCAMMRVQZDB-LBPRGKRZSA-N 0 3 307.378 3.774 20 30 DHEDHN C=CCCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000175476500 1037051230 /nfs/dbraw/zinc/05/12/30/1037051230.db2.gz OBUGTUMXWLUXCF-GOSISDBHSA-N 0 3 300.446 3.604 20 30 DHEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000911918221 1037237726 /nfs/dbraw/zinc/23/77/26/1037237726.db2.gz UMEOAVIKMVFTMM-QGZVFWFLSA-N 0 3 319.449 3.661 20 30 DHEDHN COCc1cc([C@H](C)NCc2cccc(C#N)c2)ccc1OC ZINC000193871849 1037301470 /nfs/dbraw/zinc/30/14/70/1037301470.db2.gz ZNHJDPMSLPITMG-AWEZNQCLSA-N 0 3 310.397 3.564 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000912394355 1037371455 /nfs/dbraw/zinc/37/14/55/1037371455.db2.gz MSVOYLRIJMMZCN-CVEARBPZSA-N 0 3 306.837 3.687 20 30 DHEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cc(C)on1 ZINC000912467746 1037394611 /nfs/dbraw/zinc/39/46/11/1037394611.db2.gz WLJGHXMPSLAJAH-WBVHZDCISA-N 0 3 321.465 3.724 20 30 DHEDHN C[C@@H]1C[C@@H](CN(C)CC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000496136077 1037426056 /nfs/dbraw/zinc/42/60/56/1037426056.db2.gz YEAZTGODWAYOCF-CABCVRRESA-N 0 3 323.481 3.504 20 30 DHEDHN N#Cc1ccc([C@H](O)CNCc2ccc(-c3ccccc3)o2)cc1 ZINC000763236209 1037522220 /nfs/dbraw/zinc/52/22/20/1037522220.db2.gz PVHQROTWFKTFNP-LJQANCHMSA-N 0 3 318.376 3.641 20 30 DHEDHN COCCN(Cc1ccc(Cl)cc1C#N)[C@H]1CCC[C@H]1C ZINC000488061555 1037610098 /nfs/dbraw/zinc/61/00/98/1037610098.db2.gz KXQJYTJMZYHEHJ-DYVFJYSZSA-N 0 3 306.837 3.849 20 30 DHEDHN N#Cc1ccncc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201470223 1037701876 /nfs/dbraw/zinc/70/18/76/1037701876.db2.gz NYLSPDABZTYQIU-MOPGFXCFSA-N 0 3 316.408 3.686 20 30 DHEDHN C=CCOCc1nn(C)c2c1CN(C[C@H](CC)CCCC)CC2 ZINC001201558370 1037775610 /nfs/dbraw/zinc/77/56/10/1037775610.db2.gz BKJQNUYJPXXQRW-MRXNPFEDSA-N 0 3 319.493 3.697 20 30 DHEDHN C=CC[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000186081326 1037867632 /nfs/dbraw/zinc/86/76/32/1037867632.db2.gz CSWORMFQFOUUMO-VQTJNVASSA-N 0 3 322.452 3.765 20 30 DHEDHN CCCCCCCN1CC[C@@H](n2cc(Br)cn2)C1 ZINC001201805027 1037899056 /nfs/dbraw/zinc/89/90/56/1037899056.db2.gz ZXAYVJDJUYTLIH-CQSZACIVSA-N 0 3 314.271 3.863 20 30 DHEDHN CCCCCCCCN1CCN(CCc2ccccn2)CC1 ZINC001201826489 1037910252 /nfs/dbraw/zinc/91/02/52/1037910252.db2.gz XVYMHIFUIYROMH-UHFFFAOYSA-N 0 3 303.494 3.602 20 30 DHEDHN CCCCCCCCCN1Cc2cn(C)nc2[C@H](COC)C1 ZINC001201839619 1037916934 /nfs/dbraw/zinc/91/69/34/1037916934.db2.gz OLBMAKTZSIVABZ-KRWDZBQOSA-N 0 3 307.482 3.716 20 30 DHEDHN CCCCCCCCCN1CCCn2nnc(COCC)c2C1 ZINC001201846847 1037921769 /nfs/dbraw/zinc/92/17/69/1037921769.db2.gz NROVDTGIBNRDEI-UHFFFAOYSA-N 0 3 322.497 3.771 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000064517684 1037933078 /nfs/dbraw/zinc/93/30/78/1037933078.db2.gz YZCINILDIUOHBN-IBGZPJMESA-N 0 3 314.473 3.865 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cnn2ccccc12 ZINC000586795096 1037975259 /nfs/dbraw/zinc/97/52/59/1037975259.db2.gz WEQHCJKTYOEVOW-LJQANCHMSA-N 0 3 316.408 3.763 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=Cc2cc(C)c(C)cc2C)nc(C)n1 ZINC000916880484 1038022000 /nfs/dbraw/zinc/02/20/00/1038022000.db2.gz SWSZVKWHHSHZTD-HPFMTEOYSA-N 0 3 319.408 3.908 20 30 DHEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)c(C)o1 ZINC000916906797 1038042046 /nfs/dbraw/zinc/04/20/46/1038042046.db2.gz UEEOTYIFRSVBGG-LBPRGKRZSA-N 0 3 316.744 3.511 20 30 DHEDHN CC(C)(C)SCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916912098 1038047626 /nfs/dbraw/zinc/04/76/26/1038047626.db2.gz YWBRBFQKGPTNIA-JTQLQIEISA-N 0 3 324.833 3.519 20 30 DHEDHN C=CCc1cc(C[N@H+](C)C(C2CC2)C2CC2)c([O-])c(OC)c1 ZINC000164244806 1038108232 /nfs/dbraw/zinc/10/82/32/1038108232.db2.gz JSPHGGQPITZOGU-UHFFFAOYSA-N 0 3 301.430 3.750 20 30 DHEDHN C=CCc1cc(C[N@@H+](C)C(C2CC2)C2CC2)c([O-])c(OC)c1 ZINC000164244806 1038108243 /nfs/dbraw/zinc/10/82/43/1038108243.db2.gz JSPHGGQPITZOGU-UHFFFAOYSA-N 0 3 301.430 3.750 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000192998825 1038296286 /nfs/dbraw/zinc/29/62/86/1038296286.db2.gz RIGWDSPEGZALLO-KGLIPLIRSA-N 0 3 308.381 3.741 20 30 DHEDHN N#Cc1ccccc1N1CCN(CCCCc2ccccc2)CC1 ZINC001190731699 1038377762 /nfs/dbraw/zinc/37/77/62/1038377762.db2.gz RILZDLNOXGMQON-UHFFFAOYSA-N 0 3 319.452 3.703 20 30 DHEDHN N#Cc1ccccc1COc1cccc(CN2CC(C3CC3)C2)c1 ZINC000589736697 1038538129 /nfs/dbraw/zinc/53/81/29/1038538129.db2.gz BYCJSMAYRSFKNM-UHFFFAOYSA-N 0 3 318.420 3.979 20 30 DHEDHN N#Cc1cccc(COc2cccc(CN3CC(C4CC4)C3)c2)c1 ZINC000589736869 1038538477 /nfs/dbraw/zinc/53/84/77/1038538477.db2.gz UIXRTXDGZKCQHV-UHFFFAOYSA-N 0 3 318.420 3.979 20 30 DHEDHN CO[C@@H](CN[C@@H](CCC#N)c1ccccc1)Cc1ccccc1 ZINC000590713006 1038694883 /nfs/dbraw/zinc/69/48/83/1038694883.db2.gz VFENHXVAGKJITO-UXHICEINSA-N 0 3 308.425 3.879 20 30 DHEDHN CC[C@@H](OCCNCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000593664419 1038998974 /nfs/dbraw/zinc/99/89/74/1038998974.db2.gz MOPMMJDKBRGBPS-LJQANCHMSA-N 0 3 324.424 3.824 20 30 DHEDHN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)Cc1ccncc1C#N ZINC000592070088 1039115699 /nfs/dbraw/zinc/11/56/99/1039115699.db2.gz FLAHVRGBXLNETP-LJQANCHMSA-N 0 3 311.404 3.791 20 30 DHEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(Cl)c1Cl ZINC000599355583 1039129702 /nfs/dbraw/zinc/12/97/02/1039129702.db2.gz BNPWVGSVYBTNAG-QWRGUYRKSA-N 0 3 313.228 3.699 20 30 DHEDHN C[C@]1(Cc2cccc(F)c2)CCCN1Cc1ccnc(C#N)c1 ZINC000592138446 1039130762 /nfs/dbraw/zinc/13/07/62/1039130762.db2.gz NBRBUUHFPUUFEB-LJQANCHMSA-N 0 3 309.388 3.690 20 30 DHEDHN N#Cc1ccccc1CN1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000592168617 1039161683 /nfs/dbraw/zinc/16/16/83/1039161683.db2.gz SWIGOUTVJXYKOQ-LEWJYISDSA-N 0 3 320.436 3.516 20 30 DHEDHN COc1ccc([C@@H](CNCCC#N)c2c[nH]c3ccccc32)cc1 ZINC000603822084 1039165486 /nfs/dbraw/zinc/16/54/86/1039165486.db2.gz SVHODOCALMGBQB-GOSISDBHSA-N 0 3 319.408 3.812 20 30 DHEDHN N#Cc1cccc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592175298 1039166001 /nfs/dbraw/zinc/16/60/01/1039166001.db2.gz LZWYFXORIYCLNE-HXUWFJFHSA-N 0 3 318.420 3.718 20 30 DHEDHN COc1cc(CN[C@@H](CC(C)C)c2ccncc2)ccc1C#N ZINC000592390007 1039186478 /nfs/dbraw/zinc/18/64/78/1039186478.db2.gz HLWCHUVEWHSMQS-SFHVURJKSA-N 0 3 309.413 3.839 20 30 DHEDHN C=CCc1cc(CN2CCC(CCC#N)CC2)cc(OC)c1O ZINC000592517254 1039220295 /nfs/dbraw/zinc/22/02/95/1039220295.db2.gz LVVNRCRXYLBQHG-UHFFFAOYSA-N 0 3 314.429 3.645 20 30 DHEDHN CC(C)(C#N)CCN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599675351 1039255763 /nfs/dbraw/zinc/25/57/63/1039255763.db2.gz BYXKSDHBACZWOG-CQSZACIVSA-N 0 3 315.244 3.946 20 30 DHEDHN N#Cc1ccc(N2CCC(NCc3ccc(Cl)o3)CC2)cc1 ZINC000604497594 1039484985 /nfs/dbraw/zinc/48/49/85/1039484985.db2.gz YLTVYRYYVQWCCZ-UHFFFAOYSA-N 0 3 315.804 3.563 20 30 DHEDHN COc1ccc([C@H](C)[C@H](C)NCC2(C#N)CCCC2)cc1OC ZINC000593654409 1039579860 /nfs/dbraw/zinc/57/98/60/1039579860.db2.gz BYODGIURONSXNS-CABCVRRESA-N 0 3 316.445 3.869 20 30 DHEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(C2CC2)cc1 ZINC000574299987 1039603467 /nfs/dbraw/zinc/60/34/67/1039603467.db2.gz ZZOFHBOVIKANIN-CQSZACIVSA-N 0 3 319.408 3.725 20 30 DHEDHN N#CC(C(=O)CCC(=O)c1ccc(Cl)cc1)c1ccccn1 ZINC000046439786 1039639039 /nfs/dbraw/zinc/63/90/39/1039639039.db2.gz JUMCJZPIERJPLN-CQSZACIVSA-N 0 3 312.756 3.574 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000172113228 1039742800 /nfs/dbraw/zinc/74/28/00/1039742800.db2.gz FKLKXWUDBUDYHZ-HNNXBMFYSA-N 0 3 323.392 3.668 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(OC(F)F)cc2)cc1 ZINC000172112136 1039751862 /nfs/dbraw/zinc/75/18/62/1039751862.db2.gz QYZKYTYMLBTTHL-UHFFFAOYSA-N 0 3 317.335 3.590 20 30 DHEDHN CCCCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(C)c1 ZINC000594428452 1039780961 /nfs/dbraw/zinc/78/09/61/1039780961.db2.gz LQZPXVOXUCBYNI-INIZCTEOSA-N 0 3 317.433 3.524 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)N1Cc2ccccc2-c2ccccc21 ZINC000594428789 1039781856 /nfs/dbraw/zinc/78/18/56/1039781856.db2.gz PLTGLEOEPOFRMZ-SFHVURJKSA-N 0 3 319.408 3.611 20 30 DHEDHN CC(C)CCc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594430675 1039782996 /nfs/dbraw/zinc/78/29/96/1039782996.db2.gz APRNHDONXGMKHR-KRWDZBQOSA-N 0 3 301.434 3.625 20 30 DHEDHN CC(C)[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594428272 1039784045 /nfs/dbraw/zinc/78/40/45/1039784045.db2.gz MBBXGNSPXQXKHZ-CVEARBPZSA-N 0 3 321.852 3.565 20 30 DHEDHN Cc1ccccc1[C@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC000594433952 1039784143 /nfs/dbraw/zinc/78/41/43/1039784143.db2.gz VCRPQTSSWVMOPQ-SJORKVTESA-N 0 3 315.461 3.610 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000594428217 1039785178 /nfs/dbraw/zinc/78/51/78/1039785178.db2.gz XGLVJHBFRBZERS-LJQANCHMSA-N 0 3 321.424 3.631 20 30 DHEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccccc2C#N)CC1 ZINC000593934777 1039786635 /nfs/dbraw/zinc/78/66/35/1039786635.db2.gz ZBYPZMWSEZMOHB-OAHLLOKOSA-N 0 3 306.413 3.591 20 30 DHEDHN COCc1ccccc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594495305 1039797035 /nfs/dbraw/zinc/79/70/35/1039797035.db2.gz QFCGBDQRQBMVRH-UHFFFAOYSA-N 0 3 308.425 3.924 20 30 DHEDHN CC(=O)Nc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594494135 1039799024 /nfs/dbraw/zinc/79/90/24/1039799024.db2.gz UTHGEPCTUKEALK-UHFFFAOYSA-N 0 3 321.424 3.736 20 30 DHEDHN N#C[C@H]1CC[C@H](NC2(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000594519205 1039823303 /nfs/dbraw/zinc/82/33/03/1039823303.db2.gz VODAALYIUPWCLY-AAEUAGOBSA-N 0 3 310.319 3.856 20 30 DHEDHN C[C@@H](NC1(c2ccc(C#N)cc2)CCC1)c1cccc(CO)c1 ZINC000594517198 1039825347 /nfs/dbraw/zinc/82/53/47/1039825347.db2.gz HTOUABUKTVMHIA-OAHLLOKOSA-N 0 3 306.409 3.781 20 30 DHEDHN N#Cc1ccc(C2(NCc3ccc4c[nH]nc4c3)CCC2)cc1 ZINC000594518026 1039825530 /nfs/dbraw/zinc/82/55/30/1039825530.db2.gz GSCYEYSBNUAMCI-UHFFFAOYSA-N 0 3 302.381 3.604 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000606435156 1039876217 /nfs/dbraw/zinc/87/62/17/1039876217.db2.gz LFZMYLHQBVSXNK-ZWKOTPCHSA-N 0 3 314.473 3.597 20 30 DHEDHN COC[C@H](C)Oc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000594914447 1039922336 /nfs/dbraw/zinc/92/23/36/1039922336.db2.gz IMYVBFUBYABPCG-JKSUJKDBSA-N 0 3 324.424 3.823 20 30 DHEDHN COC[C@@H](C)Oc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000594930199 1039932090 /nfs/dbraw/zinc/93/20/90/1039932090.db2.gz UEBOUXRCEOUDRM-HZPDHXFCSA-N 0 3 324.424 3.823 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCCO1 ZINC000594042141 1040009020 /nfs/dbraw/zinc/00/90/20/1040009020.db2.gz GWJFLNQYPNMFCU-CABCVRRESA-N 0 3 324.371 3.597 20 30 DHEDHN C[C@H](O)[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000595006616 1040017803 /nfs/dbraw/zinc/01/78/03/1040017803.db2.gz MDFFCVMKFMIKJA-KXBFYZLASA-N 0 3 308.425 3.699 20 30 DHEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000595050628 1040051741 /nfs/dbraw/zinc/05/17/41/1040051741.db2.gz SSXXENDULZOPRR-UPJWGTAASA-N 0 3 308.447 3.715 20 30 DHEDHN CC(C)[C@@H](O)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000595095179 1040080734 /nfs/dbraw/zinc/08/07/34/1040080734.db2.gz GDHQOYXCOMIBRP-RYGJVYDSSA-N 0 3 308.425 3.967 20 30 DHEDHN CC(C)[C@@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075747729 1040146058 /nfs/dbraw/zinc/14/60/58/1040146058.db2.gz KTQTZZCSTFCSSP-INIZCTEOSA-N 0 3 310.401 3.619 20 30 DHEDHN N#CC[C@@H]1CCCN(CCc2cccc(OC(F)(F)F)c2)C1 ZINC000595619382 1040192784 /nfs/dbraw/zinc/19/27/84/1040192784.db2.gz ADCMENFPFRJLHN-AWEZNQCLSA-N 0 3 312.335 3.753 20 30 DHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1csc(C(=O)OCC)n1 ZINC000595605097 1040203571 /nfs/dbraw/zinc/20/35/71/1040203571.db2.gz VHPBWJBCQWQHOJ-OCCSQVGLSA-N 0 3 308.447 3.544 20 30 DHEDHN N#Cc1c(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)cn2ccccc12 ZINC000595788346 1040251294 /nfs/dbraw/zinc/25/12/94/1040251294.db2.gz JKAPEWKSNJPZQK-UZLBHIALSA-N 0 3 323.440 3.592 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000595844139 1040263865 /nfs/dbraw/zinc/26/38/65/1040263865.db2.gz ALYBAQVHMUIWDO-YTQUADARSA-N 0 3 323.440 3.505 20 30 DHEDHN N#Cc1ccc(CN2CCC3(CCc4ccccc4O3)CC2)cc1 ZINC000595829650 1040265844 /nfs/dbraw/zinc/26/58/44/1040265844.db2.gz XRCOZMDFLASGDX-UHFFFAOYSA-N 0 3 318.420 3.918 20 30 DHEDHN CC[C@@H]1CCC[C@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595868109 1040276571 /nfs/dbraw/zinc/27/65/71/1040276571.db2.gz STSGLHNNURQQQH-XJKSGUPXSA-N 0 3 310.401 3.761 20 30 DHEDHN COc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000597159114 1040669249 /nfs/dbraw/zinc/66/92/49/1040669249.db2.gz HOCSXKQKVLAWOS-IRXDYDNUSA-N 0 3 314.429 3.752 20 30 DHEDHN C#CCCCNCc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000174611395 1040670228 /nfs/dbraw/zinc/67/02/28/1040670228.db2.gz HPEYEPUIMLLWBN-UHFFFAOYSA-N 0 3 319.811 3.535 20 30 DHEDHN COc1ccc(CC[C@H](C)NCC2(C#N)CCCCC2)cc1O ZINC000597224726 1040703833 /nfs/dbraw/zinc/70/38/33/1040703833.db2.gz ITQOGAKZZUSQHT-HNNXBMFYSA-N 0 3 316.445 3.786 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456353100 1040788003 /nfs/dbraw/zinc/78/80/03/1040788003.db2.gz ZBDIBIWAFDJXBE-PXNSSMCTSA-N 0 3 314.473 3.569 20 30 DHEDHN Cc1nc(C)c([C@@H](C)NCc2cccc(OCC#N)c2)s1 ZINC000040518188 1040926963 /nfs/dbraw/zinc/92/69/63/1040926963.db2.gz HMXZGPAXPOEDJJ-LLVKDONJSA-N 0 3 301.415 3.513 20 30 DHEDHN Cc1ccc(CN2CCSCC2)cc1NC[C@@H](C)CCC#N ZINC000602489944 1041057117 /nfs/dbraw/zinc/05/71/17/1041057117.db2.gz GDHJBTKULZRULJ-HNNXBMFYSA-N 0 3 317.502 3.896 20 30 DHEDHN C[C@H](N[C@H](c1nnc[nH]1)C1CCCCC1)c1ccc(C#N)cc1 ZINC000602511470 1041077292 /nfs/dbraw/zinc/07/72/92/1041077292.db2.gz SHNOZVUILOKUBV-GUYCJALGSA-N 0 3 309.417 3.649 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000602641547 1041126697 /nfs/dbraw/zinc/12/66/97/1041126697.db2.gz SRBDQADHHHFUDC-ROUUACIJSA-N 0 3 321.428 3.575 20 30 DHEDHN C[C@@H](CCC#N)CN(C)Cc1ccc(Br)cc1F ZINC000602727586 1041182715 /nfs/dbraw/zinc/18/27/15/1041182715.db2.gz DHUKVVFIWNTMDL-NSHDSACASA-N 0 3 313.214 3.960 20 30 DHEDHN CC[C@@](C)(NCc1cnc2ccc(C#N)cn12)c1ccc(F)cc1 ZINC000602728783 1041182778 /nfs/dbraw/zinc/18/27/78/1041182778.db2.gz OQAZRSCZMWVOTR-LJQANCHMSA-N 0 3 322.387 3.760 20 30 DHEDHN CC[C@@H](c1ccccc1)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000060876201 1041190463 /nfs/dbraw/zinc/19/04/63/1041190463.db2.gz JCLGUOGLEZEBMU-NRFANRHFSA-N 0 3 319.452 3.827 20 30 DHEDHN N#CCC1(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000602784968 1041207165 /nfs/dbraw/zinc/20/71/65/1041207165.db2.gz QIEQGXUBIJEIJD-AWEZNQCLSA-N 0 3 315.486 3.895 20 30 DHEDHN Cc1ccc(CN2CCC(c3ccc(F)cn3)CC2)cc1C#N ZINC000602902274 1041302855 /nfs/dbraw/zinc/30/28/55/1041302855.db2.gz AYXJIHXAGRAAQP-UHFFFAOYSA-N 0 3 309.388 3.780 20 30 DHEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC000598594051 1041354002 /nfs/dbraw/zinc/35/40/02/1041354002.db2.gz FMVUNICVGPXFEY-CMPLNLGQSA-N 0 3 315.244 3.945 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCc3c2cccc3O)cc1 ZINC000130368522 334925331 /nfs/dbraw/zinc/92/53/31/334925331.db2.gz QMNXRUASYUMAMK-KUHUBIRLSA-N 0 3 307.393 3.742 20 30 DHEDHN C[C@H](NCCOc1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000563734337 334973918 /nfs/dbraw/zinc/97/39/18/334973918.db2.gz ZFZAPNCXGJOUAX-NSHDSACASA-N 0 3 320.314 3.705 20 30 DHEDHN C=C(C)CN1CCC(N[C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405888 335000624 /nfs/dbraw/zinc/00/06/24/335000624.db2.gz LNNRQUDJVIDICZ-CQSZACIVSA-N 0 3 319.518 3.713 20 30 DHEDHN COc1ccc2c(c1)CCN([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000442668520 335001129 /nfs/dbraw/zinc/00/11/29/335001129.db2.gz AYKPMJUWPCSJEK-HNNXBMFYSA-N 0 3 306.409 3.729 20 30 DHEDHN C#CCCOc1ccc(CN(C)CCc2ncc(C)s2)cc1 ZINC000093807279 335005097 /nfs/dbraw/zinc/00/50/97/335005097.db2.gz MQHBYMDDNONEOA-UHFFFAOYSA-N 0 3 314.454 3.528 20 30 DHEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1ccccc1C ZINC000285120742 335023353 /nfs/dbraw/zinc/02/33/53/335023353.db2.gz NDEHFRLHCPNMHA-IEBWSBKVSA-N 0 3 320.436 3.546 20 30 DHEDHN C(#Cc1ccccc1)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285892340 335027625 /nfs/dbraw/zinc/02/76/25/335027625.db2.gz JZZOHYRUHXAZEQ-VSKRKVRLSA-N 0 3 317.432 3.543 20 30 DHEDHN C[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)CCS1 ZINC000190690523 335047153 /nfs/dbraw/zinc/04/71/53/335047153.db2.gz JNPNXNOQGVNGMT-OAHLLOKOSA-N 0 3 304.459 3.697 20 30 DHEDHN N#C[C@H]1CC[C@H](NCc2cccnc2Oc2cccc(F)c2)C1 ZINC000442718378 335050035 /nfs/dbraw/zinc/05/00/35/335050035.db2.gz OQZHLXBURLPDGN-BBRMVZONSA-N 0 3 311.360 3.795 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(N3CCC(C)CC3)nc2)cc1 ZINC000289158560 335060623 /nfs/dbraw/zinc/06/06/23/335060623.db2.gz DJMYTZCEFYJMRF-UHFFFAOYSA-N 0 3 319.452 3.589 20 30 DHEDHN C=CC[C@H]1N(Cc2cnc(C3OCCO3)s2)CCCC1(C)C ZINC000289502690 335064141 /nfs/dbraw/zinc/06/41/41/335064141.db2.gz CLTCWDRUERNKLE-CQSZACIVSA-N 0 3 322.474 3.755 20 30 DHEDHN CC(=O)Nc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000272758870 130061161 /nfs/dbraw/zinc/06/11/61/130061161.db2.gz PRLMXDBFQLVINX-KGLIPLIRSA-N 0 3 307.397 3.928 20 30 DHEDHN Cc1ccc(C(=O)CCNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000274874437 130269335 /nfs/dbraw/zinc/26/93/35/130269335.db2.gz XYHUEYYPSLRWIS-UHFFFAOYSA-N 0 3 304.393 3.718 20 30 DHEDHN COc1ccc([C@@H](CN(C)C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000284454516 131082660 /nfs/dbraw/zinc/08/26/60/131082660.db2.gz UPSOBKNLBVXQKX-MGPUTAFESA-N 0 3 323.440 3.520 20 30 DHEDHN C[C@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000286851040 131252175 /nfs/dbraw/zinc/25/21/75/131252175.db2.gz ALKVTRBNINXSNQ-IFXJQAMLSA-N 0 3 311.404 3.651 20 30 DHEDHN C[C@H](NC[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000290011807 131444585 /nfs/dbraw/zinc/44/45/85/131444585.db2.gz ZWONQCAENWIWQR-QMIHWGKISA-N 0 3 324.399 3.514 20 30 DHEDHN CC[C@@H](COCC(F)(F)F)N[C@@H](C)c1cccc(C#N)c1 ZINC000297473707 132017251 /nfs/dbraw/zinc/01/72/51/132017251.db2.gz YTZPGADGSVHGOF-FZMZJTMJSA-N 0 3 300.324 3.566 20 30 DHEDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000120888999 132146885 /nfs/dbraw/zinc/14/68/85/132146885.db2.gz HHKNUEXGYAWEKM-HOCLYGCPSA-N 0 3 317.433 3.607 20 30 DHEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)c(C)s1 ZINC000130629483 196097269 /nfs/dbraw/zinc/09/72/69/196097269.db2.gz LXDJXGXDDRCOSS-ZDUSSCGKSA-N 0 3 309.394 3.742 20 30 DHEDHN C=CCCCCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290367932 335073142 /nfs/dbraw/zinc/07/31/42/335073142.db2.gz AHSBCGNOTLCNRH-DLBZAZTESA-N 0 3 315.413 3.544 20 30 DHEDHN Cc1nc(N[C@H](CN2CCCC2)c2ccccc2)ccc1C#N ZINC000487927530 429175646 /nfs/dbraw/zinc/17/56/46/429175646.db2.gz SZODZJIHRUWELN-GOSISDBHSA-N 0 3 306.413 3.511 20 30 DHEDHN C=C(C)CN1CCC(Nc2ncc(C#N)c3ccsc32)CC1 ZINC000601112780 435328196 /nfs/dbraw/zinc/32/81/96/435328196.db2.gz DYRVQKSBNBUOBT-UHFFFAOYSA-N 0 3 312.442 3.620 20 30 DHEDHN CCN(CC)[C@@H](CNc1ccc(C#N)c(C)n1)c1ccsc1 ZINC000487929505 435631901 /nfs/dbraw/zinc/63/19/01/435631901.db2.gz LAMVKIYHLOPXJX-INIZCTEOSA-N 0 3 314.458 3.818 20 30 DHEDHN COc1cc(CNCc2ccc(C)c(Cl)c2)ccc1C#N ZINC000570810447 332820264 /nfs/dbraw/zinc/82/02/64/332820264.db2.gz ORWBASCHKXDXEA-UHFFFAOYSA-N 0 3 300.789 3.819 20 30 DHEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)c(CCC)c2)CC1 ZINC000409536823 332036353 /nfs/dbraw/zinc/03/63/53/332036353.db2.gz SOJLZMGVPQMWDO-UHFFFAOYSA-N 0 3 320.864 3.673 20 30 DHEDHN N#Cc1ccc2ncc(CN(CC3CCCCC3)C3CC3)n2c1 ZINC000092165128 332120504 /nfs/dbraw/zinc/12/05/04/332120504.db2.gz FBICENPELORSQF-UHFFFAOYSA-N 0 3 308.429 3.751 20 30 DHEDHN C=CCN1CC[C@H](N2CCCC[C@H]2c2cccc(C)c2C)C1=O ZINC000410387395 332122476 /nfs/dbraw/zinc/12/24/76/332122476.db2.gz NGCFEQCCDJZDNG-OALUTQOASA-N 0 3 312.457 3.617 20 30 DHEDHN C[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000363691255 332223109 /nfs/dbraw/zinc/22/31/09/332223109.db2.gz RVULYYKALLTKOE-OAHLLOKOSA-N 0 3 316.408 3.810 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC=C(C)C ZINC000559982276 332299178 /nfs/dbraw/zinc/29/91/78/332299178.db2.gz MMWJZIYEZQCWFT-UHFFFAOYSA-N 0 3 320.506 3.551 20 30 DHEDHN N#Cc1cccc(OCCN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000560673568 332375920 /nfs/dbraw/zinc/37/59/20/332375920.db2.gz BZIKVPUSQNJSLA-QGZVFWFLSA-N 0 3 310.372 3.566 20 30 DHEDHN C=CCCCCN1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000562534376 332601960 /nfs/dbraw/zinc/60/19/60/332601960.db2.gz LQCAGZODPXATGO-UHFFFAOYSA-N 0 3 322.474 3.856 20 30 DHEDHN COc1ccccc1/C=C\CNC1(c2cccc(C#N)c2)CC1 ZINC000569948692 332696062 /nfs/dbraw/zinc/69/60/62/332696062.db2.gz YHFQASBDPSFILX-YVMONPNESA-N 0 3 304.393 3.859 20 30 DHEDHN N#CCCCCNCc1ccc(Br)cc1Cl ZINC000164497302 332986106 /nfs/dbraw/zinc/98/61/06/332986106.db2.gz PNUNSBHBHLBJRS-UHFFFAOYSA-N 0 3 301.615 3.886 20 30 DHEDHN CC(C)(C#N)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000174853509 333091748 /nfs/dbraw/zinc/09/17/48/333091748.db2.gz YSYRSKWOBCYWQW-QGZVFWFLSA-N 0 3 316.445 3.703 20 30 DHEDHN CC(C)(C#N)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000174853509 333091750 /nfs/dbraw/zinc/09/17/50/333091750.db2.gz YSYRSKWOBCYWQW-QGZVFWFLSA-N 0 3 316.445 3.703 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@H](CC)C2CCC(C)CC2)CC1 ZINC000460998697 333091968 /nfs/dbraw/zinc/09/19/68/333091968.db2.gz GIFCKSAVQVRLFP-LEOMRAHMSA-N 0 3 306.494 3.606 20 30 DHEDHN C[C@H](c1ccccn1)N(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000182066094 333175284 /nfs/dbraw/zinc/17/52/84/333175284.db2.gz LHSIMIMWXWRYRQ-MRXNPFEDSA-N 0 3 308.429 3.624 20 30 DHEDHN COc1cc(C)cc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182058767 333175298 /nfs/dbraw/zinc/17/52/98/333175298.db2.gz SKQAWZKUDVSQJX-OAHLLOKOSA-N 0 3 310.397 3.757 20 30 DHEDHN CC[C@@H](CC#N)NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000184081279 333191827 /nfs/dbraw/zinc/19/18/27/333191827.db2.gz YZUJZXUOCWSANT-ZDUSSCGKSA-N 0 3 323.843 3.725 20 30 DHEDHN CC[C@@H](CC#N)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000184088842 333191889 /nfs/dbraw/zinc/19/18/89/333191889.db2.gz HWJFVSIBRYSWRR-INIZCTEOSA-N 0 3 305.853 3.586 20 30 DHEDHN Cc1cc(C)c(C#N)c(N[C@H](C)CN(C)Cc2ccccc2)n1 ZINC000309902072 333206813 /nfs/dbraw/zinc/20/68/13/333206813.db2.gz PDUQBOQXNLVGCH-MRXNPFEDSA-N 0 3 308.429 3.503 20 30 DHEDHN Cc1cc(C)n(-c2ccccc2CN[C@H]2CCC[C@@H](C#N)C2)n1 ZINC000185856107 333215104 /nfs/dbraw/zinc/21/51/04/333215104.db2.gz RAYTWHYFDCCSPG-AEFFLSMTSA-N 0 3 308.429 3.661 20 30 DHEDHN N#Cc1c(Cl)cccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000393631324 333239801 /nfs/dbraw/zinc/23/98/01/333239801.db2.gz DVVGNLQIVIRDHS-HNNXBMFYSA-N 0 3 311.816 3.898 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)CCC1 ZINC000364213431 333273611 /nfs/dbraw/zinc/27/36/11/333273611.db2.gz LKBQPBPOGADGLB-GOEBONIOSA-N 0 3 318.486 3.604 20 30 DHEDHN COc1ccc([C@@H](NCc2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000191900310 333283572 /nfs/dbraw/zinc/28/35/72/333283572.db2.gz ZGZFAUFPQPBWGS-FQEVSTJZSA-N 0 3 322.408 3.838 20 30 DHEDHN C=CCN1CC[C@@H](N[C@@H](c2ccc(Cl)cc2)C2CCC2)C1=O ZINC000499604394 333286837 /nfs/dbraw/zinc/28/68/37/333286837.db2.gz VTXBTJWVNIPING-IAGOWNOFSA-N 0 3 318.848 3.558 20 30 DHEDHN COc1cc(C)c([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000192670990 333291139 /nfs/dbraw/zinc/29/11/39/333291139.db2.gz ATCXHMSIWHAPQK-ILXRZTDVSA-N 0 3 302.418 3.745 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000364427261 333313709 /nfs/dbraw/zinc/31/37/09/333313709.db2.gz HCWRLRPWISPBAO-RDJZCZTQSA-N 0 3 318.486 3.626 20 30 DHEDHN C=CC1CCN([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000111257590 333328305 /nfs/dbraw/zinc/32/83/05/333328305.db2.gz FDMBPKMNKQLHAH-HOCLYGCPSA-N 0 3 318.486 3.698 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CC[C@]3(C2)CCCOC3)cc1 ZINC000367446414 333333018 /nfs/dbraw/zinc/33/30/18/333333018.db2.gz DVHRWKFCDKAAPF-KRWDZBQOSA-N 0 3 323.358 3.559 20 30 DHEDHN N#Cc1cccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1F ZINC000391946096 335136561 /nfs/dbraw/zinc/13/65/61/335136561.db2.gz WIVAQLZRJVBPMT-KZNAEPCWSA-N 0 3 316.420 3.603 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC(Oc2ccccn2)CC1 ZINC000336864361 333431477 /nfs/dbraw/zinc/43/14/77/333431477.db2.gz RHBDOESYUKDCKM-UHFFFAOYSA-N 0 3 301.434 3.645 20 30 DHEDHN COc1cc(CN[C@@H]2c3ccccc3CC[C@@H]2C)ccc1C#N ZINC000572805106 333476052 /nfs/dbraw/zinc/47/60/52/333476052.db2.gz HDRTXNMNMBMMLD-XOBRGWDASA-N 0 3 306.409 3.980 20 30 DHEDHN C#CCOc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000296349080 335143606 /nfs/dbraw/zinc/14/36/06/335143606.db2.gz IGDBQTBAWDTLPH-FQEVSTJZSA-N 0 3 307.393 3.571 20 30 DHEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccc(OC)cc1 ZINC000124966805 333504672 /nfs/dbraw/zinc/50/46/72/333504672.db2.gz VTUDJTCFQQLTGI-SFHVURJKSA-N 0 3 310.397 3.816 20 30 DHEDHN CCOC(=O)CC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411170564 333639764 /nfs/dbraw/zinc/63/97/64/333639764.db2.gz UYXIQOHUUOXQJT-UHFFFAOYSA-N 0 3 306.450 3.516 20 30 DHEDHN CCN1CC[C@H](N[C@H](C)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411691710 333702078 /nfs/dbraw/zinc/70/20/78/333702078.db2.gz JTGUPJFVWLPZQW-OAUYIBNBSA-N 0 3 323.843 3.896 20 30 DHEDHN CC[C@@H](C)CN(C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343446966 335165478 /nfs/dbraw/zinc/16/54/78/335165478.db2.gz HXTHPPXOPLANIR-VXGBXAGGSA-N 0 3 307.825 3.517 20 30 DHEDHN C=CC[C@@H](Cc1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000414540326 334013162 /nfs/dbraw/zinc/01/31/62/334013162.db2.gz ULJSYZUIIBZJHC-HNNXBMFYSA-N 0 3 302.399 3.933 20 30 DHEDHN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NCc1ccc(C#N)o1 ZINC000414563884 334020808 /nfs/dbraw/zinc/02/08/08/334020808.db2.gz DFMHMERXJRYYGZ-LBPRGKRZSA-N 0 3 311.360 3.503 20 30 DHEDHN Cc1ccc2[nH]c([C@@H]3CCCN(CCC(C)(C)C#N)C3)nc2c1 ZINC000272039077 334029980 /nfs/dbraw/zinc/02/99/80/334029980.db2.gz QNSZJEAOOZZPDK-OAHLLOKOSA-N 0 3 310.445 3.991 20 30 DHEDHN COc1cccc(C2(N[C@@H](C)c3ccc(OCC#N)cc3)CC2)c1 ZINC000272313079 334032958 /nfs/dbraw/zinc/03/29/58/334032958.db2.gz UGPQSBNTEFDDQE-HNNXBMFYSA-N 0 3 322.408 3.937 20 30 DHEDHN CC(C)OC(=O)C[C@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000272884811 334040714 /nfs/dbraw/zinc/04/07/14/334040714.db2.gz WJJQPZMBIXYTRE-INIZCTEOSA-N 0 3 302.418 3.599 20 30 DHEDHN CCOc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1OCC ZINC000274648311 334064623 /nfs/dbraw/zinc/06/46/23/334064623.db2.gz SHQWFDORIMYOFE-SQWLQELKSA-N 0 3 302.418 3.827 20 30 DHEDHN Cn1c(CNCC(C)(C)CCC#N)nc2cccc(Cl)c21 ZINC000274779823 334066024 /nfs/dbraw/zinc/06/60/24/334066024.db2.gz KMNGCRBBVVTCTH-UHFFFAOYSA-N 0 3 304.825 3.646 20 30 DHEDHN CN(CCCCC(C)(C)C#N)Cc1cn(C)nc1C(F)(F)F ZINC000277636560 334089599 /nfs/dbraw/zinc/08/95/99/334089599.db2.gz HFTXPJULUSMDPL-UHFFFAOYSA-N 0 3 316.371 3.591 20 30 DHEDHN CC(C)(C#N)CCCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000277773573 334090664 /nfs/dbraw/zinc/09/06/64/334090664.db2.gz RJPMQFYLDMYWEQ-KRWDZBQOSA-N 0 3 304.434 3.981 20 30 DHEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(C#N)cc1 ZINC000278735624 334100429 /nfs/dbraw/zinc/10/04/29/334100429.db2.gz NBGLOESHLCGHAD-LJQANCHMSA-N 0 3 305.381 3.702 20 30 DHEDHN CC(C)C1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280339954 334116528 /nfs/dbraw/zinc/11/65/28/334116528.db2.gz PVLKJMXFQWZGMD-SFHVURJKSA-N 0 3 323.440 3.525 20 30 DHEDHN CC(C)(C)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280956209 334121786 /nfs/dbraw/zinc/12/17/86/334121786.db2.gz QSIVKIRQYGXYAI-KRWDZBQOSA-N 0 3 323.440 3.525 20 30 DHEDHN COc1ccc(F)cc1[C@@H](C)NCCCC1(C#N)CCOCC1 ZINC000281151184 334123447 /nfs/dbraw/zinc/12/34/47/334123447.db2.gz BICIQBHGDQBVEB-CQSZACIVSA-N 0 3 320.408 3.585 20 30 DHEDHN CC[C@@H](NCCCC1(C#N)CCOCC1)c1nc(C)cs1 ZINC000281224344 334123949 /nfs/dbraw/zinc/12/39/49/334123949.db2.gz DXHVOOSABNJVQP-CQSZACIVSA-N 0 3 307.463 3.593 20 30 DHEDHN C=CC[C@@H](CC)N[C@H](C)c1ncc(Br)cc1F ZINC000281567844 334126865 /nfs/dbraw/zinc/12/68/65/334126865.db2.gz KGDRFWQLYYLTBJ-MWLCHTKSSA-N 0 3 301.203 3.989 20 30 DHEDHN CC(C)(C#N)CCN[C@@H]1CCOc2c(Br)cccc21 ZINC000282062658 334130988 /nfs/dbraw/zinc/13/09/88/334130988.db2.gz MRYZOLMVWPYTFI-CYBMUJFWSA-N 0 3 323.234 3.802 20 30 DHEDHN CC(C)(C#N)CCN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282490192 334135051 /nfs/dbraw/zinc/13/50/51/334135051.db2.gz HRMSKAHCKAOKLO-KRWDZBQOSA-N 0 3 306.837 3.571 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2ccncc2OCc2ccccc2)C1 ZINC000287656969 334158271 /nfs/dbraw/zinc/15/82/71/334158271.db2.gz VFDURAABFHVHQV-MJGOQNOKSA-N 0 3 321.424 3.833 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccncc2OCc2ccccc2)C1 ZINC000287656959 334158364 /nfs/dbraw/zinc/15/83/64/334158364.db2.gz VFDURAABFHVHQV-IEBWSBKVSA-N 0 3 321.424 3.833 20 30 DHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000291863732 334182551 /nfs/dbraw/zinc/18/25/51/334182551.db2.gz HSTDEPDELHEEJK-JCGVRSQUSA-N 0 3 312.438 3.973 20 30 DHEDHN CC[C@H](NCc1cccc(C#N)c1)c1ccc(C(=O)OC)cc1 ZINC000293670433 334200246 /nfs/dbraw/zinc/20/02/46/334200246.db2.gz JTLUSAJCILLWJJ-SFHVURJKSA-N 0 3 308.381 3.586 20 30 DHEDHN C=C(CNCc1cn(-c2ccccc2)nc1C)c1ccccc1 ZINC000340437647 334201279 /nfs/dbraw/zinc/20/12/79/334201279.db2.gz XVDFMJZWSOAYIE-UHFFFAOYSA-N 0 3 303.409 3.984 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC000293893805 334203084 /nfs/dbraw/zinc/20/30/84/334203084.db2.gz ZHHWVODZYPHETA-XLNTUCKNSA-N 0 3 306.409 3.743 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000582144222 334270544 /nfs/dbraw/zinc/27/05/44/334270544.db2.gz CDAJEZIDOMKNEM-WMZOPIPTSA-N 0 3 320.502 3.730 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000534657191 334314435 /nfs/dbraw/zinc/31/44/35/334314435.db2.gz QDYMVCZRXFEELH-GOSISDBHSA-N 0 3 312.800 3.865 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccccc2COC)cc1 ZINC000122048059 334371592 /nfs/dbraw/zinc/37/15/92/334371592.db2.gz YWMLSQZRYIYOAX-MRXNPFEDSA-N 0 3 309.409 3.696 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000341208946 334417247 /nfs/dbraw/zinc/41/72/47/334417247.db2.gz FYWASSYOIWOTIK-PBHICJAKSA-N 0 3 320.864 3.970 20 30 DHEDHN COc1ccc2nc(CNCCc3cccc(C#N)c3)sc2c1 ZINC000341495120 334448261 /nfs/dbraw/zinc/44/82/61/334448261.db2.gz XRXYADMORXECCL-UHFFFAOYSA-N 0 3 323.421 3.509 20 30 DHEDHN CCc1nn(C)c(CC)c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000341907208 334490837 /nfs/dbraw/zinc/49/08/37/334490837.db2.gz NCYAFBOWKAPHRH-IBGZPJMESA-N 0 3 322.456 3.584 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000341937046 334494255 /nfs/dbraw/zinc/49/42/55/334494255.db2.gz BDLFXZMIBDEJFS-LJQANCHMSA-N 0 3 308.425 3.947 20 30 DHEDHN C=CC[C@@H](C)N[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000342439375 334541498 /nfs/dbraw/zinc/54/14/98/334541498.db2.gz YUUUAEYEESKTQM-APWZRJJASA-N 0 3 308.425 3.598 20 30 DHEDHN CCc1ccc(CNCCSCc2ccccc2C#N)o1 ZINC000343032122 334596836 /nfs/dbraw/zinc/59/68/36/334596836.db2.gz DGQRJANONZKPJC-UHFFFAOYSA-N 0 3 300.427 3.737 20 30 DHEDHN C=C(C)COCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417304146 334704452 /nfs/dbraw/zinc/70/44/52/334704452.db2.gz BKMNAKLNSALWAS-KRWDZBQOSA-N 0 3 304.390 3.545 20 30 DHEDHN C=C(C)COCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417304147 334704574 /nfs/dbraw/zinc/70/45/74/334704574.db2.gz BKMNAKLNSALWAS-QGZVFWFLSA-N 0 3 304.390 3.545 20 30 DHEDHN C[C@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)NC1CCC(C)CC1 ZINC000328719369 334748124 /nfs/dbraw/zinc/74/81/24/334748124.db2.gz VNHIHRSMGBHMLM-OOJKYFRXSA-N 0 3 321.465 3.541 20 30 DHEDHN O=C(CN[C@H]1CCC(=O)NC12CCC2)Nc1ccccc1Cl ZINC000328686790 334748837 /nfs/dbraw/zinc/74/88/37/334748837.db2.gz GNBNHZQXUPAXCL-ZDUSSCGKSA-N 0 3 321.808 3.559 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(COC)cc2)cc1 ZINC000124402855 334755387 /nfs/dbraw/zinc/75/53/87/334755387.db2.gz BJUGWMICXMRYFI-INIZCTEOSA-N 0 3 309.409 3.696 20 30 DHEDHN C=CCCO[C@@H](C)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000128523863 334891575 /nfs/dbraw/zinc/89/15/75/334891575.db2.gz CEPUNBDUTPTGQJ-INIZCTEOSA-N 0 3 316.445 3.511 20 30 DHEDHN COC(=O)[C@H](CCN[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000425463581 334918991 /nfs/dbraw/zinc/91/89/91/334918991.db2.gz WKAUIMZHVCQMIN-HNAYVOBHSA-N 0 3 322.408 3.556 20 30 DHEDHN C=CCSc1ccccc1C(=O)NC[C@H]1CCCN1CCC ZINC000343632917 335183067 /nfs/dbraw/zinc/18/30/67/335183067.db2.gz DJIQGZZOOMPFFL-OAHLLOKOSA-N 0 3 318.486 3.569 20 30 DHEDHN Cc1ccnc(N[C@@H](C)[C@H](c2ccccc2C)N(C)C)c1C#N ZINC000343805680 335194167 /nfs/dbraw/zinc/19/41/67/335194167.db2.gz ISWQWKHFNNJUKW-MAUKXSAKSA-N 0 3 308.429 3.673 20 30 DHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc2c(c1)CCC2 ZINC000344073423 335215280 /nfs/dbraw/zinc/21/52/80/335215280.db2.gz PHTVDEMPICRTBU-UHFFFAOYSA-N 0 3 320.436 3.696 20 30 DHEDHN COc1ccccc1[C@H](CN[C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000344105362 335223709 /nfs/dbraw/zinc/22/37/09/335223709.db2.gz WMHQSARCUZTTMG-KXBFYZLASA-N 0 3 323.440 3.520 20 30 DHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000344187979 335228617 /nfs/dbraw/zinc/22/86/17/335228617.db2.gz IEJYHANOIHDWHI-GDBMZVCRSA-N 0 3 311.454 3.545 20 30 DHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NCc2cc(C#N)cs2)C1 ZINC000344222275 335229903 /nfs/dbraw/zinc/22/99/03/335229903.db2.gz WSFWWRZUZHHKSR-YOEHRIQHSA-N 0 3 311.454 3.545 20 30 DHEDHN C=CC[C@H](CC)NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000344252202 335232700 /nfs/dbraw/zinc/23/27/00/335232700.db2.gz AYMMKSYLDQBULS-JKSUJKDBSA-N 0 3 323.506 3.785 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000344252200 335232718 /nfs/dbraw/zinc/23/27/18/335232718.db2.gz AYMMKSYLDQBULS-HZPDHXFCSA-N 0 3 323.506 3.785 20 30 DHEDHN C=CCC[C@H](NCc1cc(C(=O)OC)n(C)c1)c1ccccc1 ZINC000348094630 335552930 /nfs/dbraw/zinc/55/29/30/335552930.db2.gz FLBUIQJMGJHLLH-KRWDZBQOSA-N 0 3 312.413 3.609 20 30 DHEDHN C=CC1CCN([C@H](C)C(=O)N[C@H](CCC)c2ccccc2)CC1 ZINC000348170116 335559672 /nfs/dbraw/zinc/55/96/72/335559672.db2.gz QOUFPSUCYHVIHS-VQIMIIECSA-N 0 3 314.473 3.931 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNCc1ncc(Cl)s1)C(C)C ZINC000349633002 335686412 /nfs/dbraw/zinc/68/64/12/335686412.db2.gz ROTJNQQKCWVPMV-ZDUSSCGKSA-N 0 3 313.898 3.585 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000106039697 335793043 /nfs/dbraw/zinc/79/30/43/335793043.db2.gz RSBSYCMZZKBIRN-UHFFFAOYSA-N 0 3 308.425 3.610 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CCC)CC1 ZINC000519282728 335829050 /nfs/dbraw/zinc/82/90/50/335829050.db2.gz MUWSQKPWICJEGC-WMZOPIPTSA-N 0 3 321.509 3.685 20 30 DHEDHN C=CCN1CCC(NC(=O)CCC(C)(C)c2ccccc2)CC1 ZINC000179248273 335946728 /nfs/dbraw/zinc/94/67/28/335946728.db2.gz DZZFJEUADASQIZ-UHFFFAOYSA-N 0 3 314.473 3.511 20 30 DHEDHN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@@H](C2CC2)C1 ZINC000329628352 336016267 /nfs/dbraw/zinc/01/62/67/336016267.db2.gz HGBBGRJBZXRWTN-TZMCWYRMSA-N 0 3 316.401 3.514 20 30 DHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C2CC2)C1 ZINC000329664487 336034045 /nfs/dbraw/zinc/03/40/45/336034045.db2.gz QJLQJKVIDWCNCO-ZBFHGGJFSA-N 0 3 303.450 3.680 20 30 DHEDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000329837241 336088169 /nfs/dbraw/zinc/08/81/69/336088169.db2.gz VJOWDNKDYFOCOU-JFIYKMOQSA-N 0 3 324.428 3.753 20 30 DHEDHN Cc1nc(CC(C)C)oc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000330009006 336105539 /nfs/dbraw/zinc/10/55/39/336105539.db2.gz HCAVUTUCJVYZLM-AWEZNQCLSA-N 0 3 319.449 3.503 20 30 DHEDHN C[C@H]1CCCC[C@H]1N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332622446 336176627 /nfs/dbraw/zinc/17/66/27/336176627.db2.gz COXKZNUZJIMOLJ-XJKSGUPXSA-N 0 3 310.401 3.619 20 30 DHEDHN COC[C@H](C)N(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000352303339 336211028 /nfs/dbraw/zinc/21/10/28/336211028.db2.gz RRDIKDBXKUMHBZ-INIZCTEOSA-N 0 3 324.424 3.604 20 30 DHEDHN CN(C)[C@@H](CNc1ccc(Cl)cc1C#N)c1ccsc1 ZINC000352633475 336227979 /nfs/dbraw/zinc/22/79/79/336227979.db2.gz OOYOFPXCINVDEP-HNNXBMFYSA-N 0 3 305.834 3.988 20 30 DHEDHN COc1ccc(CN(CCc2ccc(F)cc2)C2CC2)cc1C#N ZINC000532745850 336269329 /nfs/dbraw/zinc/26/93/29/336269329.db2.gz KIBWNAOYGUZKKJ-UHFFFAOYSA-N 0 3 324.399 3.913 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc2c[nH]nc21 ZINC000582231130 336285089 /nfs/dbraw/zinc/28/50/89/336285089.db2.gz NQRCBORCWBBOCS-GOSISDBHSA-N 0 3 302.381 3.602 20 30 DHEDHN C#CCOc1ccccc1CNCCc1csc(C(C)C)n1 ZINC000102431156 336287249 /nfs/dbraw/zinc/28/72/49/336287249.db2.gz ACTUSNDRYAMPSP-UHFFFAOYSA-N 0 3 314.454 3.611 20 30 DHEDHN N#Cc1c(F)cccc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000301069520 336288265 /nfs/dbraw/zinc/28/82/65/336288265.db2.gz SNOBSIUGUNNPRP-IBGZPJMESA-N 0 3 309.388 3.946 20 30 DHEDHN C[C@@H](c1ccccc1)N1CCC(Nc2ncccc2C#N)CC1 ZINC000301316753 336300390 /nfs/dbraw/zinc/30/03/90/336300390.db2.gz NYIDXVUZGAIKCT-HNNXBMFYSA-N 0 3 306.413 3.591 20 30 DHEDHN C=CCN1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301402368 336304559 /nfs/dbraw/zinc/30/45/59/336304559.db2.gz RCEXQZWXFJMRHT-UHFFFAOYSA-N 0 3 309.335 3.639 20 30 DHEDHN CN1CCC[C@@H](CNc2ccc(C#N)nc2)[C@@H]1c1cccs1 ZINC000301584341 336316458 /nfs/dbraw/zinc/31/64/58/336316458.db2.gz VPXPSYLXLODORG-SUMWQHHRSA-N 0 3 312.442 3.510 20 30 DHEDHN C=C(C)CN1CCC(Nc2ncc(Br)cc2C)CC1 ZINC000301638782 336319911 /nfs/dbraw/zinc/31/99/11/336319911.db2.gz XVXHFRVRAJHIMZ-UHFFFAOYSA-N 0 3 324.266 3.605 20 30 DHEDHN CCN(CC)[C@@H](CNc1c(C#N)cccc1C#N)c1ccsc1 ZINC000302814497 336370273 /nfs/dbraw/zinc/37/02/73/336370273.db2.gz BHAVAEBJEFCXJJ-KRWDZBQOSA-N 0 3 324.453 3.986 20 30 DHEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2n[nH]cc2c1 ZINC000353592425 336427392 /nfs/dbraw/zinc/42/73/92/336427392.db2.gz AVTFBSOPPCOYJH-BLVKFPJESA-N 0 3 302.381 3.773 20 30 DHEDHN C=CC1CCN(Cc2cc3c(cc2SC)OCCO3)CC1 ZINC000353611465 336428807 /nfs/dbraw/zinc/42/88/07/336428807.db2.gz YNSHLQNSRHQIMT-UHFFFAOYSA-N 0 3 305.443 3.578 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000354019380 336454363 /nfs/dbraw/zinc/45/43/63/336454363.db2.gz XUJDHZAINPAGSY-IFUGULHKSA-N 0 3 313.228 3.699 20 30 DHEDHN CO[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000356182895 336539731 /nfs/dbraw/zinc/53/97/31/336539731.db2.gz JLTCSPISSDNKNC-LSDHHAIUSA-N 0 3 312.335 3.624 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccsc1)C(C)C ZINC000356580210 336555172 /nfs/dbraw/zinc/55/51/72/336555172.db2.gz NEHJBCOPGXXVMD-OAHLLOKOSA-N 0 3 307.463 3.568 20 30 DHEDHN CC(C)C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000357423772 336584824 /nfs/dbraw/zinc/58/48/24/336584824.db2.gz WMKDKIRVHCWCTP-LJQANCHMSA-N 0 3 321.424 3.874 20 30 DHEDHN Cc1noc(C)c1C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358574041 336635213 /nfs/dbraw/zinc/63/52/13/336635213.db2.gz RLCVKOLJZVYCLH-MNOVXSKESA-N 0 3 301.365 3.584 20 30 DHEDHN Cc1ccc(Br)cc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000193330229 336695539 /nfs/dbraw/zinc/69/55/39/336695539.db2.gz UWKZWDWSAJNTEE-DOMZBBRYSA-N 0 3 307.235 3.930 20 30 DHEDHN N#CCCCN[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000360702645 336719388 /nfs/dbraw/zinc/71/93/88/336719388.db2.gz JTALAHROSFFUHD-AWEZNQCLSA-N 0 3 311.198 3.933 20 30 DHEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-c2cncnc2)cc1 ZINC000368492919 336846181 /nfs/dbraw/zinc/84/61/81/336846181.db2.gz GRSZLDRXAHTARO-DOXZYTNZSA-N 0 3 306.413 3.877 20 30 DHEDHN Cc1cccc(CN2CCC(C#N)(c3ccccn3)CC2)c1C ZINC000368516717 336846562 /nfs/dbraw/zinc/84/65/62/336846562.db2.gz DRIHGYLULIRWCE-UHFFFAOYSA-N 0 3 305.425 3.756 20 30 DHEDHN Cc1ccc2ncc(CN[C@H]3CCCc4cc(C#N)ccc43)n2c1 ZINC000418141869 336896494 /nfs/dbraw/zinc/89/64/94/336896494.db2.gz GKZRHIKLRRSMCJ-IBGZPJMESA-N 0 3 316.408 3.682 20 30 DHEDHN CC(C)(C)c1n[nH]cc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418146579 336896913 /nfs/dbraw/zinc/89/69/13/336896913.db2.gz QFJMIKHNMFBMSK-KRWDZBQOSA-N 0 3 308.429 3.746 20 30 DHEDHN COc1cc(C)c(CN[C@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000418149463 336898100 /nfs/dbraw/zinc/89/81/00/336898100.db2.gz VAMCTGXZDWVEKG-IBGZPJMESA-N 0 3 321.424 3.746 20 30 DHEDHN Cc1ccc(C2CCN(CCOc3ccc(C#N)cc3)CC2)cn1 ZINC000371733620 336911675 /nfs/dbraw/zinc/91/16/75/336911675.db2.gz LWDXZFSRUZLFEF-UHFFFAOYSA-N 0 3 321.424 3.520 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(Cc2ccccn2)CC1 ZINC000372602777 336935920 /nfs/dbraw/zinc/93/59/20/336935920.db2.gz RVJFCPDUUBQLGS-MRXNPFEDSA-N 0 3 305.425 3.969 20 30 DHEDHN CC(C)(O)c1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000372686013 336937383 /nfs/dbraw/zinc/93/73/83/336937383.db2.gz WBCCIGXRABDMFC-UHFFFAOYSA-N 0 3 320.436 3.628 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCC23CCOCC3)cc1 ZINC000375712692 337017458 /nfs/dbraw/zinc/01/74/58/337017458.db2.gz UCPDLTFLAFRAPC-INIZCTEOSA-N 0 3 323.358 3.606 20 30 DHEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@H]1CCCc2cccnc21 ZINC000376002119 337025048 /nfs/dbraw/zinc/02/50/48/337025048.db2.gz YCMWXQVVDDNTJJ-SFHVURJKSA-N 0 3 321.424 3.861 20 30 DHEDHN CC(C)(C#N)CCN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000305678984 337032280 /nfs/dbraw/zinc/03/22/80/337032280.db2.gz MUZUKTYDHDCRKH-QGZVFWFLSA-N 0 3 304.409 3.511 20 30 DHEDHN Cn1cc(CN[C@H](c2cccnc2)C2CCCCC2)cc1C#N ZINC000377208489 337048774 /nfs/dbraw/zinc/04/87/74/337048774.db2.gz JYVCQLBYHTXMJJ-IBGZPJMESA-N 0 3 308.429 3.703 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(c3ccncc3)CC2)cc1 ZINC000377708783 337059425 /nfs/dbraw/zinc/05/94/25/337059425.db2.gz XZQVYJHIQOAMRE-INIZCTEOSA-N 0 3 321.424 3.752 20 30 DHEDHN CN1CCC[C@H](CNc2cnccc2C#N)[C@H]1c1cccs1 ZINC000378374657 337071135 /nfs/dbraw/zinc/07/11/35/337071135.db2.gz YTMVIJZDIXOQHV-PBHICJAKSA-N 0 3 312.442 3.510 20 30 DHEDHN Fc1ccc(C#CCN[C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000378526614 337075282 /nfs/dbraw/zinc/07/52/82/337075282.db2.gz QPODWIQGKOQQPF-AZUAARDMSA-N 0 3 309.384 3.545 20 30 DHEDHN C=CCN1CCC(NC(=O)c2ccccc2SC(C)C)CC1 ZINC000171717646 337088633 /nfs/dbraw/zinc/08/86/33/337088633.db2.gz NBLSLXNJSXXRAE-UHFFFAOYSA-N 0 3 318.486 3.567 20 30 DHEDHN C=CCCCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000175691957 337147105 /nfs/dbraw/zinc/14/71/05/337147105.db2.gz BGMDQFCPTDHFFR-INIZCTEOSA-N 0 3 300.446 3.685 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)c2cc(Cl)cn2C)n1 ZINC000177747967 337157313 /nfs/dbraw/zinc/15/73/13/337157313.db2.gz MHMRYOBQGLVYPF-SNVBAGLBSA-N 0 3 307.806 3.748 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000179706055 337169034 /nfs/dbraw/zinc/16/90/34/337169034.db2.gz KWVMUEWWDRVWFV-HNAYVOBHSA-N 0 3 309.413 3.653 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000185586144 337249324 /nfs/dbraw/zinc/24/93/24/337249324.db2.gz LCWYCEVELXKPEI-IAGOWNOFSA-N 0 3 314.473 3.931 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000185586106 337249347 /nfs/dbraw/zinc/24/93/47/337249347.db2.gz LCWYCEVELXKPEI-SJORKVTESA-N 0 3 314.473 3.931 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](c1ccccc1)C(C)C ZINC000532908525 337259464 /nfs/dbraw/zinc/25/94/64/337259464.db2.gz WXCOEKNXWTZYTK-WMZOPIPTSA-N 0 3 300.446 3.562 20 30 DHEDHN N#CC(C(=O)c1ccc2ncccc2c1)c1cnc2ccccc2n1 ZINC000190885273 337290475 /nfs/dbraw/zinc/29/04/75/337290475.db2.gz DAKALEAFLMPLGT-OAHLLOKOSA-N 0 3 324.343 3.668 20 30 DHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(OC(F)(F)F)c1 ZINC000191302238 337295732 /nfs/dbraw/zinc/29/57/32/337295732.db2.gz OLSNCMQHLBZRNC-NSHDSACASA-N 0 3 323.318 3.646 20 30 DHEDHN C(#Cc1ccccc1)CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000192105996 337302995 /nfs/dbraw/zinc/30/29/95/337302995.db2.gz GRLVTOURBYHTQJ-UHFFFAOYSA-N 0 3 315.420 3.794 20 30 DHEDHN CC[C@@H](NCC#Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000192152944 337303340 /nfs/dbraw/zinc/30/33/40/337303340.db2.gz SREMPNKSGRAOIW-GOSISDBHSA-N 0 3 307.393 3.550 20 30 DHEDHN CCOc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H](C#N)C1)CCO2 ZINC000193305988 337309817 /nfs/dbraw/zinc/30/98/17/337309817.db2.gz QCRDKTKKDNTOTE-GRDNDAEWSA-N 0 3 300.402 3.581 20 30 DHEDHN Cc1cnc([C@@H](C)CNC2CC(C#N)(c3ccccc3)C2)s1 ZINC000129687964 337430320 /nfs/dbraw/zinc/43/03/20/337430320.db2.gz ZUJTZJYTIXXTEV-BELGNNRLSA-N 0 3 311.454 3.769 20 30 DHEDHN C=C[C@@H](C)NCc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000237159090 337468251 /nfs/dbraw/zinc/46/82/51/337468251.db2.gz RAXCDUUYQKOGRA-GFCCVEGCSA-N 0 3 316.401 3.543 20 30 DHEDHN C[C@@H](CNCc1cccc(OCCCC#N)c1)Oc1ccccc1 ZINC000073005890 337549044 /nfs/dbraw/zinc/54/90/44/337549044.db2.gz GURPVCPUNZRXSV-KRWDZBQOSA-N 0 3 324.424 3.926 20 30 DHEDHN C[C@H](CNCc1cccc(OCCCC#N)c1)Oc1ccccc1 ZINC000073005892 337549185 /nfs/dbraw/zinc/54/91/85/337549185.db2.gz GURPVCPUNZRXSV-QGZVFWFLSA-N 0 3 324.424 3.926 20 30 DHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1nccc2ccccc21 ZINC000571726147 337574920 /nfs/dbraw/zinc/57/49/20/337574920.db2.gz YRADKVIOHWFYIN-OAHLLOKOSA-N 0 3 317.392 3.836 20 30 DHEDHN CC(C)(CCc1ccccc1)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000572124262 337591823 /nfs/dbraw/zinc/59/18/23/337591823.db2.gz OGYUPHFQSQBLRL-UHFFFAOYSA-N 0 3 323.396 3.967 20 30 DHEDHN C=CCCCCCN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000265774542 337633607 /nfs/dbraw/zinc/63/36/07/337633607.db2.gz MWAXTPXADCBADC-UHFFFAOYSA-N 0 3 317.477 3.636 20 30 DHEDHN C=C(Cl)COc1ccc([C@H](C)NCCn2ccnc2C)cc1 ZINC000268776746 337635424 /nfs/dbraw/zinc/63/54/24/337635424.db2.gz ASOPPWHGDRUCOP-AWEZNQCLSA-N 0 3 319.836 3.674 20 30 DHEDHN C=C(CN[C@@H](C)CC(=O)Nc1ccccc1OC)c1ccccc1 ZINC000268847133 337635557 /nfs/dbraw/zinc/63/55/57/337635557.db2.gz RWXZJLZVHRUOAS-INIZCTEOSA-N 0 3 324.424 3.715 20 30 DHEDHN C=C(C)COc1cc(CN2CCC(C)(OC)CC2)ccc1OC ZINC000272336953 337647997 /nfs/dbraw/zinc/64/79/97/337647997.db2.gz GOZDVBDXGAJBIX-UHFFFAOYSA-N 0 3 319.445 3.651 20 30 DHEDHN C#CCOc1ccc(CN[C@H]2CCCc3nc(C)sc32)cc1 ZINC000272501432 337649199 /nfs/dbraw/zinc/64/91/99/337649199.db2.gz GPMUSWFVHCXJGN-INIZCTEOSA-N 0 3 312.438 3.631 20 30 DHEDHN C=CCCCNCc1cc(OC)ccc1OCc1ccccn1 ZINC000279217248 337668904 /nfs/dbraw/zinc/66/89/04/337668904.db2.gz WWVPSTZPCVXHGO-UHFFFAOYSA-N 0 3 312.413 3.725 20 30 DHEDHN Cc1cccc(Oc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)c1 ZINC000424076673 337731266 /nfs/dbraw/zinc/73/12/66/337731266.db2.gz MOLBLPMYRQFMEV-SFHVURJKSA-N 0 3 323.396 3.747 20 30 DHEDHN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](N)CCCC#N ZINC000424080702 337731468 /nfs/dbraw/zinc/73/14/68/337731468.db2.gz TZLIJLPOHPGTPT-MRXNPFEDSA-N 0 3 301.434 3.893 20 30 DHEDHN C=CCCOCCN[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000536838663 337736024 /nfs/dbraw/zinc/73/60/24/337736024.db2.gz LZMNFUZCMMOSNW-CQSZACIVSA-N 0 3 303.402 3.993 20 30 DHEDHN C[C@H](NCCC(C)(C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000424133054 337752172 /nfs/dbraw/zinc/75/21/72/337752172.db2.gz WVWJDZCHFVSICG-AWEZNQCLSA-N 0 3 316.445 3.967 20 30 DHEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527900472 337772789 /nfs/dbraw/zinc/77/27/89/337772789.db2.gz DAOJIRZUYPPAFO-VYDXJSESSA-N 0 3 308.429 3.820 20 30 DHEDHN C=C(C)CNCc1cc(Br)c(OC)c(OCC)c1 ZINC000119655369 337863777 /nfs/dbraw/zinc/86/37/77/337863777.db2.gz YQFVTKCFVGIPQG-UHFFFAOYSA-N 0 3 314.223 3.522 20 30 DHEDHN COc1ccc(C#N)cc1CN1CCC(c2ccc(O)cc2)CC1 ZINC000121439349 337893004 /nfs/dbraw/zinc/89/30/04/337893004.db2.gz AAJWUOZRONFYHA-UHFFFAOYSA-N 0 3 322.408 3.652 20 30 DHEDHN FC(F)(F)Oc1ccc(C#CCN2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426458365 338032785 /nfs/dbraw/zinc/03/27/85/338032785.db2.gz JHCJFHHASODFPF-ZBFHGGJFSA-N 0 3 309.331 3.811 20 30 DHEDHN Cc1cc(C)c(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000428784520 338060984 /nfs/dbraw/zinc/06/09/84/338060984.db2.gz TUFJMPNYLMPZIW-SFHVURJKSA-N 0 3 321.424 3.532 20 30 DHEDHN C=CCN(CC=C)C(=O)CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000428853345 338062615 /nfs/dbraw/zinc/06/26/15/338062615.db2.gz YLDXBVHJBUTZEV-KRWDZBQOSA-N 0 3 300.446 3.659 20 30 DHEDHN C=C(C)CN1CCC(NCc2nc3ccc(F)cc3s2)CC1 ZINC000428877889 338064240 /nfs/dbraw/zinc/06/42/40/338064240.db2.gz XRFQBZOPIGGVIL-UHFFFAOYSA-N 0 3 319.449 3.566 20 30 DHEDHN Cc1c([C@@H](C)NCC2(CC#N)CC2)cnn1-c1ccc(F)cc1 ZINC000430727694 338112507 /nfs/dbraw/zinc/11/25/07/338112507.db2.gz HWVAGZKJPXVXIN-CYBMUJFWSA-N 0 3 312.392 3.664 20 30 DHEDHN CC(C)c1ccc(NC(=O)C[C@H](C)NCC2(CC#N)CC2)cc1 ZINC000430739291 338112881 /nfs/dbraw/zinc/11/28/81/338112881.db2.gz HNHDRELHGNXVIH-HNNXBMFYSA-N 0 3 313.445 3.811 20 30 DHEDHN Cc1ccc(NC(=O)C[C@@H](C)NCC2(CC#N)CC2)c(Cl)c1 ZINC000430758818 338113888 /nfs/dbraw/zinc/11/38/88/338113888.db2.gz VXSXUEXGJDLIAC-CYBMUJFWSA-N 0 3 319.836 3.649 20 30 DHEDHN COc1ccc(CN2CC(C)=C[C@H](C)C2)cc1OCCCC#N ZINC000430866582 338117524 /nfs/dbraw/zinc/11/75/24/338117524.db2.gz HGKPDEUOOAQFOJ-HNNXBMFYSA-N 0 3 314.429 3.776 20 30 DHEDHN CC1=C[C@@H](C)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000430884042 338118020 /nfs/dbraw/zinc/11/80/20/338118020.db2.gz ULFFKRXFVIRQHP-MRXNPFEDSA-N 0 3 320.440 3.862 20 30 DHEDHN CC(C)N(C(=O)CN[C@H](CCCC#N)c1ccccc1)C(C)C ZINC000433021692 338176703 /nfs/dbraw/zinc/17/67/03/338176703.db2.gz RVPJKLVRKJZKJG-GOSISDBHSA-N 0 3 315.461 3.657 20 30 DHEDHN C=C(C)CN(CCC1CCOCC1)Cc1cnn(C(C)C)c1 ZINC000433199508 338185598 /nfs/dbraw/zinc/18/55/98/338185598.db2.gz LUUNPMSXZSWEKX-UHFFFAOYSA-N 0 3 305.466 3.659 20 30 DHEDHN CCN(Cc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433233408 338186910 /nfs/dbraw/zinc/18/69/10/338186910.db2.gz OXWAWZGJZMRERY-LJQANCHMSA-N 0 3 306.409 3.808 20 30 DHEDHN C=CCSCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433234021 338187187 /nfs/dbraw/zinc/18/71/87/338187187.db2.gz QYIZSVPKIUYTSD-OAHLLOKOSA-N 0 3 306.431 3.826 20 30 DHEDHN C=CCN(C)Cc1ccc(Br)cc1CN(C)CC=C ZINC000433242290 338187595 /nfs/dbraw/zinc/18/75/95/338187595.db2.gz DDKANKGUJFLNRG-UHFFFAOYSA-N 0 3 323.278 3.685 20 30 DHEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(C#N)CCc1ccccc1 ZINC000433344192 338193604 /nfs/dbraw/zinc/19/36/04/338193604.db2.gz QQXNLRZFCUVPBI-LULLPPNCSA-N 0 3 310.441 3.939 20 30 DHEDHN CCOC(=O)CC1(NCC#Cc2cccc(Cl)c2)CCCC1 ZINC000434613437 338221086 /nfs/dbraw/zinc/22/10/86/338221086.db2.gz CNTHJUSDSBFUTG-UHFFFAOYSA-N 0 3 319.832 3.547 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(Cl)c1OCC ZINC000435725215 338246326 /nfs/dbraw/zinc/24/63/26/338246326.db2.gz FSJDLILJBZTYBQ-ZBFHGGJFSA-N 0 3 309.837 3.810 20 30 DHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(-c2ccccc2)n1 ZINC000435732941 338246880 /nfs/dbraw/zinc/24/68/80/338246880.db2.gz SKHOHVUUCSKBTG-NVXWUHKLSA-N 0 3 314.454 3.881 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(C)cc1Br ZINC000435744638 338247613 /nfs/dbraw/zinc/24/76/13/338247613.db2.gz YGWJGAWNPUISIQ-HOCLYGCPSA-N 0 3 324.262 3.828 20 30 DHEDHN C[C@H](Cc1cccs1)NC(=O)C(C#N)CCc1ccccc1 ZINC000435929761 338253049 /nfs/dbraw/zinc/25/30/49/338253049.db2.gz UEMLXIXGCCYODR-ZBFHGGJFSA-N 0 3 312.438 3.568 20 30 DHEDHN CN(CC#Cc1ccc(F)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000437571057 338313785 /nfs/dbraw/zinc/31/37/85/338313785.db2.gz RWOAXOBKRMSKEE-NRFANRHFSA-N 0 3 322.427 3.778 20 30 DHEDHN C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000439121641 338361650 /nfs/dbraw/zinc/36/16/50/338361650.db2.gz WIAUBCXIXWRYJN-ACJLOTCBSA-N 0 3 324.384 3.570 20 30 DHEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccc(C#N)cc1Cl ZINC000439435284 338369253 /nfs/dbraw/zinc/36/92/53/338369253.db2.gz GJFPAHRUIJVCRX-ZDUSSCGKSA-N 0 3 314.816 3.980 20 30 DHEDHN N#Cc1ccc(CN[C@H](CCO)C2CCCCC2)c(Cl)c1 ZINC000439450120 338369772 /nfs/dbraw/zinc/36/97/72/338369772.db2.gz JJSXZCAKSMAYQH-QGZVFWFLSA-N 0 3 306.837 3.633 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(C)s1)C(C)C ZINC000440771642 338396924 /nfs/dbraw/zinc/39/69/24/338396924.db2.gz CWUJKOKZGQNHHH-HNNXBMFYSA-N 0 3 321.490 3.877 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449248555 338606561 /nfs/dbraw/zinc/60/65/61/338606561.db2.gz JOEVQFAYAYXGPJ-RULNRJAQSA-N 0 3 323.209 3.857 20 30 DHEDHN C=CCC1(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CCCC1 ZINC000451678869 338741793 /nfs/dbraw/zinc/74/17/93/338741793.db2.gz XNGOBPLVLLODRH-HOTGVXAUSA-N 0 3 318.461 3.962 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)c(C(F)(F)F)cc1F ZINC000451683044 338741912 /nfs/dbraw/zinc/74/19/12/338741912.db2.gz QRSZANPTPSWCPM-KGLIPLIRSA-N 0 3 321.289 3.807 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000453376704 338834212 /nfs/dbraw/zinc/83/42/12/338834212.db2.gz XZUIEVGMBCKCMA-DFBGVHRSSA-N 0 3 315.442 3.508 20 30 DHEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458619571 339001956 /nfs/dbraw/zinc/00/19/56/339001956.db2.gz MXFPYAYLSBZGRB-OAHLLOKOSA-N 0 3 323.506 3.566 20 30 DHEDHN C=C(CC)C[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459567569 339036245 /nfs/dbraw/zinc/03/62/45/339036245.db2.gz XYBALIKBMLRWNK-UHFFFAOYSA-N 0 3 314.223 3.609 20 30 DHEDHN CC(C)(CC#N)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459661177 339041306 /nfs/dbraw/zinc/04/13/06/339041306.db2.gz AIDVIJFTFKGGDD-UHFFFAOYSA-N 0 3 313.357 3.884 20 30 DHEDHN CC(C)(CC#N)CNCc1ccccc1OCc1cccnc1 ZINC000459699782 339043458 /nfs/dbraw/zinc/04/34/58/339043458.db2.gz SDUDZJWQFRFTNN-UHFFFAOYSA-N 0 3 309.413 3.690 20 30 DHEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC#Cc2ccccc2)C1 ZINC000463217322 339110047 /nfs/dbraw/zinc/11/00/47/339110047.db2.gz CCHMXECXSLEDAI-HZEGPAAWSA-N 0 3 311.469 3.690 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](C)[C@@H]1C)C(C)C ZINC000465548526 339179294 /nfs/dbraw/zinc/17/92/94/339179294.db2.gz UUGZJRXSDCTKTR-FGTMMUONSA-N 0 3 321.509 3.515 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466440836 339205229 /nfs/dbraw/zinc/20/52/29/339205229.db2.gz JGLLDZGIXDKGEY-MJGOQNOKSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCCN(C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000467292327 339230206 /nfs/dbraw/zinc/23/02/06/339230206.db2.gz AVKXPUONOIYVAF-UHFFFAOYSA-N 0 3 322.452 3.742 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000467519125 339240965 /nfs/dbraw/zinc/24/09/65/339240965.db2.gz PRIRUWFAPRGBIL-UYAOXDASSA-N 0 3 314.473 3.542 20 30 DHEDHN C=CC[C@H](C(=O)NC[C@H]1N(C)CCCC1(C)C)c1ccccc1 ZINC000468488102 339264047 /nfs/dbraw/zinc/26/40/47/339264047.db2.gz PJDMBNOHTDXOQC-ZWKOTPCHSA-N 0 3 314.473 3.583 20 30 DHEDHN C=CC[C@H](C(=O)NC[C@@H]1N(C)CCCC1(C)C)c1ccccc1 ZINC000468488101 339264057 /nfs/dbraw/zinc/26/40/57/339264057.db2.gz PJDMBNOHTDXOQC-ROUUACIJSA-N 0 3 314.473 3.583 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(F)cc1)C(C)C ZINC000503440263 339365220 /nfs/dbraw/zinc/36/52/20/339365220.db2.gz USKBRXMIPQQZJT-QGZVFWFLSA-N 0 3 319.424 3.646 20 30 DHEDHN COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1CCCC(C)(C)C#N ZINC000472238142 339367131 /nfs/dbraw/zinc/36/71/31/339367131.db2.gz FZTZDFUFWAHPIZ-DLBZAZTESA-N 0 3 320.477 3.760 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@]2(CC)CO)cc1Cl ZINC000472614506 339375219 /nfs/dbraw/zinc/37/52/19/339375219.db2.gz RZRMBYNISONSOM-KRWDZBQOSA-N 0 3 309.837 3.642 20 30 DHEDHN C=CCC[C@@H](O)CN1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000472773934 339377317 /nfs/dbraw/zinc/37/73/17/339377317.db2.gz RHUPIHPNLJQMOK-QGZVFWFLSA-N 0 3 310.441 3.893 20 30 DHEDHN COc1ccc(C2CCN(CC#Cc3ccccc3)CC2)cc1 ZINC000483959303 339678643 /nfs/dbraw/zinc/67/86/43/339678643.db2.gz LRYZUHBCFWFEEZ-UHFFFAOYSA-N 0 3 305.421 3.926 20 30 DHEDHN N#Cc1ccc(C(F)(F)F)nc1SCCN1CCCCC1 ZINC000488771415 339793156 /nfs/dbraw/zinc/79/31/56/339793156.db2.gz VBLQAGUAEZXONI-UHFFFAOYSA-N 0 3 315.364 3.550 20 30 DHEDHN COC(=O)Nc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000496700047 340010782 /nfs/dbraw/zinc/01/07/82/340010782.db2.gz JHTZVIVVPQKHDG-SFHVURJKSA-N 0 3 321.380 3.514 20 30 DHEDHN CC#CCCNCc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000499207776 340032460 /nfs/dbraw/zinc/03/24/60/340032460.db2.gz FKBJRLSTXYDOJD-UHFFFAOYSA-N 0 3 315.848 3.705 20 30 DHEDHN C=CCN1CC[C@@H](N[C@H](c2ccc(C(C)C)cc2)C(C)C)C1=O ZINC000499600478 340040384 /nfs/dbraw/zinc/04/03/84/340040384.db2.gz NVTKJERRNJKNJC-MOPGFXCFSA-N 0 3 314.473 3.884 20 30 DHEDHN C=CC[C@@H](CC)N[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000500813124 340067606 /nfs/dbraw/zinc/06/76/06/340067606.db2.gz UOEDRYPUQCTUMV-WOJBJXKFSA-N 0 3 322.452 3.988 20 30 DHEDHN C=CCCC[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000501562809 340083725 /nfs/dbraw/zinc/08/37/25/340083725.db2.gz BZKOGSBTOJQWAH-JZXOWHBKSA-N 0 3 317.477 3.722 20 30 DHEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCCC(C)(C)C#N ZINC000501778893 340088439 /nfs/dbraw/zinc/08/84/39/340088439.db2.gz VYVIBORJNYUOBF-MSOLQXFVSA-N 0 3 313.489 3.911 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CCC[C@@H]1C ZINC000501927474 340090757 /nfs/dbraw/zinc/09/07/57/340090757.db2.gz HZTQSIIGHBWONY-KBPBESRZSA-N 0 3 304.459 3.681 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CCC[C@H]1C ZINC000501927475 340090804 /nfs/dbraw/zinc/09/08/04/340090804.db2.gz HZTQSIIGHBWONY-KGLIPLIRSA-N 0 3 304.459 3.681 20 30 DHEDHN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1ccc(C#N)cc1F ZINC000503949636 340138174 /nfs/dbraw/zinc/13/81/74/340138174.db2.gz RSVUQTCCZMMSNG-VCTAVGKDSA-N 0 3 312.335 3.898 20 30 DHEDHN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1ccc(C#N)c(F)c1 ZINC000503953586 340138499 /nfs/dbraw/zinc/13/84/99/340138499.db2.gz PMYKLQCCMQAOTP-COLVAYQJSA-N 0 3 312.335 3.898 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000505056986 340160233 /nfs/dbraw/zinc/16/02/33/340160233.db2.gz FNNQSMASTOBSAA-HNNXBMFYSA-N 0 3 313.445 3.577 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC(=C)C ZINC000505454641 340168756 /nfs/dbraw/zinc/16/87/56/340168756.db2.gz CCQKQBBGTAKQKS-UHFFFAOYSA-N 0 3 320.506 3.551 20 30 DHEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2cccc(F)c2C#N)C1 ZINC000507022539 340205582 /nfs/dbraw/zinc/20/55/82/340205582.db2.gz OXQGNAWHQUCCHR-HOCLYGCPSA-N 0 3 309.388 3.945 20 30 DHEDHN CN(Cc1ccc2c(c1)CC(C)(C)O2)Cc1cccc(C#N)c1 ZINC000507203079 340212948 /nfs/dbraw/zinc/21/29/48/340212948.db2.gz LHGWHZVTIBYVPR-UHFFFAOYSA-N 0 3 306.409 3.904 20 30 DHEDHN CC(C)CN(Cc1cnn2ccccc12)Cc1ccc(C#N)cc1 ZINC000507729723 340229706 /nfs/dbraw/zinc/22/97/06/340229706.db2.gz BOJIJYDFWUDFMH-UHFFFAOYSA-N 0 3 318.424 3.864 20 30 DHEDHN C=C(C)CN(CC)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508902817 340255606 /nfs/dbraw/zinc/25/56/06/340255606.db2.gz XBECENMHXKTWGJ-SJLPKXTDSA-N 0 3 317.477 3.594 20 30 DHEDHN C=C(C)CCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000509261025 340264776 /nfs/dbraw/zinc/26/47/76/340264776.db2.gz ZWMKSLRJEMDKAM-HUUCEWRRSA-N 0 3 300.229 3.850 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)C2CCCC2)CC1 ZINC000509726806 340277961 /nfs/dbraw/zinc/27/79/61/340277961.db2.gz CTLMAEUQPGTHEJ-UHFFFAOYSA-N 0 3 321.509 3.543 20 30 DHEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H](C)N1CCCCCC1 ZINC000510401555 340298193 /nfs/dbraw/zinc/29/81/93/340298193.db2.gz IBSGHRVFRNWHAC-INIZCTEOSA-N 0 3 318.436 3.605 20 30 DHEDHN C=CCN1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510763552 340310285 /nfs/dbraw/zinc/31/02/85/340310285.db2.gz NHJCINPVNOKRFY-OAHLLOKOSA-N 0 3 303.450 3.948 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)s1 ZINC000511471479 340327786 /nfs/dbraw/zinc/32/77/86/340327786.db2.gz JATKBMYEAHOEAO-OAHLLOKOSA-N 0 3 300.402 3.966 20 30 DHEDHN C=C(C)CN(CCCCC1CCOCC1)Cc1ccc(CO)o1 ZINC000512204764 340352285 /nfs/dbraw/zinc/35/22/85/340352285.db2.gz VLJIAHLCANHVAY-UHFFFAOYSA-N 0 3 321.461 3.747 20 30 DHEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(C#N)cc1F ZINC000512296976 340356050 /nfs/dbraw/zinc/35/60/50/340356050.db2.gz UQOVFZYSSIBKMZ-HZCDGDGTSA-N 0 3 314.404 3.696 20 30 DHEDHN C=C(C)CNCc1cccc(Br)c1OC(F)F ZINC000512359503 340358758 /nfs/dbraw/zinc/35/87/58/340358758.db2.gz HNTPXZZHMBKGLU-UHFFFAOYSA-N 0 3 306.150 3.716 20 30 DHEDHN C=C(C)CNCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000512394486 340360368 /nfs/dbraw/zinc/36/03/68/340360368.db2.gz FROJRJMKFVNXTI-UHFFFAOYSA-N 0 3 309.335 3.616 20 30 DHEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)CCOc1ccc(C#N)cc1 ZINC000512448969 340362323 /nfs/dbraw/zinc/36/23/23/340362323.db2.gz AECLCULMHLARBN-ZDUSSCGKSA-N 0 3 316.351 3.908 20 30 DHEDHN C=CCOc1cccc(CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000512600155 340368456 /nfs/dbraw/zinc/36/84/56/340368456.db2.gz PYGDXRRLIZKJOR-IBGZPJMESA-N 0 3 308.425 3.938 20 30 DHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCc2ccccc21 ZINC000512621159 340369425 /nfs/dbraw/zinc/36/94/25/340369425.db2.gz VCBPLFYELJSGTL-GJZGRUSLSA-N 0 3 323.415 3.799 20 30 DHEDHN C[C@@H](NCCc1ccc2c(c1)CCO2)c1ccc(C#N)cc1F ZINC000512634829 340370236 /nfs/dbraw/zinc/37/02/36/340370236.db2.gz FCKLPVXOMZKZGZ-CYBMUJFWSA-N 0 3 310.372 3.526 20 30 DHEDHN C[C@@H](NCCOc1ccccc1F)c1ccc(C#N)cc1F ZINC000512656471 340371436 /nfs/dbraw/zinc/37/14/36/340371436.db2.gz ZWUFDUVBDYEMPI-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN C[C@@H](NC[C@H](C)Oc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512659593 340371615 /nfs/dbraw/zinc/37/16/15/340371615.db2.gz IJACOLIXSLCKJP-QWHCGFSZSA-N 0 3 316.351 3.955 20 30 DHEDHN COc1cccc(C[C@@H](C)N[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512668381 340372170 /nfs/dbraw/zinc/37/21/70/340372170.db2.gz UPLDWULQQGDPRY-ZIAGYGMSSA-N 0 3 312.388 3.988 20 30 DHEDHN COc1cccc(C[C@H](C)N[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512668321 340372179 /nfs/dbraw/zinc/37/21/79/340372179.db2.gz UPLDWULQQGDPRY-KBPBESRZSA-N 0 3 312.388 3.988 20 30 DHEDHN COc1cccc(C[C@H](C)N[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512668323 340372274 /nfs/dbraw/zinc/37/22/74/340372274.db2.gz UPLDWULQQGDPRY-UONOGXRCSA-N 0 3 312.388 3.988 20 30 DHEDHN C=C(C)COc1cc(CN[C@]2(CCC)CCOC2)ccc1OC ZINC000512873553 340381928 /nfs/dbraw/zinc/38/19/28/340381928.db2.gz BFESAJWOIPFBIW-LJQANCHMSA-N 0 3 319.445 3.699 20 30 DHEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCCCC3)O2)cc1F ZINC000404263881 340388023 /nfs/dbraw/zinc/38/80/23/340388023.db2.gz UDSQLPPEIRNUNS-MRXNPFEDSA-N 0 3 302.393 3.669 20 30 DHEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCCC(C)(C)C#N ZINC000174834921 340397100 /nfs/dbraw/zinc/39/71/00/340397100.db2.gz AJWXQLMEOMNUGI-HNNXBMFYSA-N 0 3 323.481 3.696 20 30 DHEDHN CN(C(=O)OC(C)(C)C)C1CCN(CCCC(C)(C)C#N)CC1 ZINC000174853090 340397661 /nfs/dbraw/zinc/39/76/61/340397661.db2.gz SYDWAGBKHUGOEF-UHFFFAOYSA-N 0 3 323.481 3.648 20 30 DHEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C12CCCC2 ZINC000404617095 340405666 /nfs/dbraw/zinc/40/56/66/340405666.db2.gz UFZJJJFFCWYNPH-DLBZAZTESA-N 0 3 302.393 3.525 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000184924386 340496540 /nfs/dbraw/zinc/49/65/40/340496540.db2.gz WRNKANKNEYOJHZ-CHWSQXEVSA-N 0 3 316.832 3.835 20 30 DHEDHN C(#Cc1ccccc1)CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000192102497 340562017 /nfs/dbraw/zinc/56/20/17/340562017.db2.gz BNRVNANPXMKTKH-UHFFFAOYSA-N 0 3 315.420 3.794 20 30 DHEDHN C=CC[C@@H](CO)CNCc1ccc(-c2cccc(F)c2C)o1 ZINC000540325238 340927070 /nfs/dbraw/zinc/92/70/70/340927070.db2.gz FISBDSMBKUUEBJ-CQSZACIVSA-N 0 3 303.377 3.668 20 30 DHEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@H]1Oc2ccccc2[C@H]1C ZINC000541687306 340980254 /nfs/dbraw/zinc/98/02/54/340980254.db2.gz SNFVNYCFFVRPGX-NQCMUKECSA-N 0 3 310.372 3.740 20 30 DHEDHN N#CCC1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000541923074 340989669 /nfs/dbraw/zinc/98/96/69/340989669.db2.gz YSKJQMDWAZBDOR-UHFFFAOYSA-N 0 3 312.335 3.753 20 30 DHEDHN Cc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1[N+](=O)[O-] ZINC000542253174 341002071 /nfs/dbraw/zinc/00/20/71/341002071.db2.gz JXXWALJFFHDZEU-AWEZNQCLSA-N 0 3 309.369 3.820 20 30 DHEDHN N#Cc1csc(CNCc2cccc(-c3ccccn3)c2)c1 ZINC000130259694 341010468 /nfs/dbraw/zinc/01/04/68/341010468.db2.gz GJGWDJKTIOJSPO-UHFFFAOYSA-N 0 3 305.406 3.972 20 30 DHEDHN N#Cc1ccc(OCCNC/C=C\c2ccc(F)cc2F)cc1 ZINC000543634683 341052446 /nfs/dbraw/zinc/05/24/46/341052446.db2.gz IAIMORZRYKYHIV-UPHRSURJSA-N 0 3 314.335 3.518 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)F)cc1 ZINC000131168459 341063537 /nfs/dbraw/zinc/06/35/37/341063537.db2.gz QYYZZWLYQIQDPW-UHFFFAOYSA-N 0 3 316.351 3.834 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@](C)(CCC)C2)CC1 ZINC000074129955 341129564 /nfs/dbraw/zinc/12/95/64/341129564.db2.gz MSRAJNLYMCYAAI-LJQANCHMSA-N 0 3 321.509 3.639 20 30 DHEDHN C=CCSCCN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133466330 341175941 /nfs/dbraw/zinc/17/59/41/341175941.db2.gz WTEAGMQZTADTNG-ZDUSSCGKSA-N 0 3 316.392 3.987 20 30 DHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000075756941 341182038 /nfs/dbraw/zinc/18/20/38/341182038.db2.gz FUGJVTQUMCYGBQ-CQSZACIVSA-N 0 3 311.381 3.831 20 30 DHEDHN CCOc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000075755693 341182073 /nfs/dbraw/zinc/18/20/73/341182073.db2.gz WXJBFHNDTSZSNQ-CQSZACIVSA-N 0 3 310.397 3.816 20 30 DHEDHN N#Cc1cccc(CN2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000079502719 341260178 /nfs/dbraw/zinc/26/01/78/341260178.db2.gz RKKYVZPWMMEYEM-NRFANRHFSA-N 0 3 320.436 3.782 20 30 DHEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000548883351 341279773 /nfs/dbraw/zinc/27/97/73/341279773.db2.gz OMIDVNDQUBSCAF-OALUTQOASA-N 0 3 320.440 3.726 20 30 DHEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000081574230 341297312 /nfs/dbraw/zinc/29/73/12/341297312.db2.gz DQOJNZAKIGAMKA-QRWLVFNGSA-N 0 3 319.408 3.580 20 30 DHEDHN COc1cc(Br)ccc1[C@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000549996729 341308191 /nfs/dbraw/zinc/30/81/91/341308191.db2.gz JLOBOAGNQITZCO-LOWVWBTDSA-N 0 3 323.234 3.801 20 30 DHEDHN C=CCC(C)(C)CN[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000550855659 341324617 /nfs/dbraw/zinc/32/46/17/341324617.db2.gz CAFWXKUNOZWSKB-CYBMUJFWSA-N 0 3 316.424 3.968 20 30 DHEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000551248084 341335571 /nfs/dbraw/zinc/33/55/71/341335571.db2.gz LINNJWWWCKJLDO-QGZVFWFLSA-N 0 3 314.473 3.712 20 30 DHEDHN CC(C)[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000551528037 341343986 /nfs/dbraw/zinc/34/39/86/341343986.db2.gz VNDOIHHXOGVDKU-IBGZPJMESA-N 0 3 304.397 3.693 20 30 DHEDHN C=CCCCCCN(C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000564390080 341382858 /nfs/dbraw/zinc/38/28/58/341382858.db2.gz OBAVERSTLKOHIW-MSOLQXFVSA-N 0 3 306.494 3.846 20 30 DHEDHN C=CCCCCCN(C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000564390090 341382903 /nfs/dbraw/zinc/38/29/03/341382903.db2.gz OBAVERSTLKOHIW-ROUUACIJSA-N 0 3 306.494 3.846 20 30 DHEDHN COc1cc(C)c([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000248744384 341385590 /nfs/dbraw/zinc/38/55/90/341385590.db2.gz ATCXHMSIWHAPQK-ZNMIVQPWSA-N 0 3 302.418 3.745 20 30 DHEDHN CC(C)(NCCOc1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000553034670 341413788 /nfs/dbraw/zinc/41/37/88/341413788.db2.gz NURSRLXEFIHTBL-UHFFFAOYSA-N 0 3 316.351 3.740 20 30 DHEDHN C=C1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000553356424 341426591 /nfs/dbraw/zinc/42/65/91/341426591.db2.gz VFIUDPLWYJWAKM-UHFFFAOYSA-N 0 3 313.228 3.974 20 30 DHEDHN COc1cc(CN[C@H]2c3cc(F)ccc3C[C@H]2C)ccc1C#N ZINC000554998511 341472229 /nfs/dbraw/zinc/47/22/29/341472229.db2.gz PLJBHSPAEXXJCK-CWTRNNRKSA-N 0 3 310.372 3.729 20 30 DHEDHN C=CCC[C@@H](NCCNC(=O)CC1CCCC1)c1ccco1 ZINC000566871519 341570492 /nfs/dbraw/zinc/57/04/92/341570492.db2.gz VWJBFDLEVJHFMD-MRXNPFEDSA-N 0 3 304.434 3.573 20 30 DHEDHN C=CC[C@@H]1N(C(=O)CCN(C)c2ccncc2)CCCC1(C)C ZINC000567333021 341595999 /nfs/dbraw/zinc/59/59/99/341595999.db2.gz BBVJVIHPVQKOBQ-KRWDZBQOSA-N 0 3 315.461 3.501 20 30 DHEDHN CCN(C(=O)[C@@H](C)N1CCC(CCC#N)CC1)C1CCCCC1 ZINC000567789798 341633381 /nfs/dbraw/zinc/63/33/81/341633381.db2.gz DTVQGUZLYUUAKD-MRXNPFEDSA-N 0 3 319.493 3.572 20 30 DHEDHN C=CCN1CCC(NC(=O)N(CCC)CC2CCCCC2)CC1 ZINC000171738448 341783895 /nfs/dbraw/zinc/78/38/95/341783895.db2.gz OVZJNUDAPXPYEQ-UHFFFAOYSA-N 0 3 321.509 3.639 20 30 DHEDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(C)cc1 ZINC000192674590 341880477 /nfs/dbraw/zinc/88/04/77/341880477.db2.gz LDJSZWPOWNQGFR-YJBOKZPZSA-N 0 3 321.424 3.935 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)s1)c1cccc(-n2ccnc2)c1 ZINC000176979124 341909208 /nfs/dbraw/zinc/90/92/08/341909208.db2.gz OJTRKSPWUIZUTD-CYBMUJFWSA-N 0 3 308.410 3.656 20 30 DHEDHN C[C@H](CNCc1cc(C#N)cs1)Oc1ccc(Cl)cc1 ZINC000177707795 341924521 /nfs/dbraw/zinc/92/45/21/341924521.db2.gz LATVPSZSMISKCZ-LLVKDONJSA-N 0 3 306.818 3.830 20 30 DHEDHN C=CCC[C@H](NCC(=O)NCc1ccccc1)c1ccccc1 ZINC000178758082 341963954 /nfs/dbraw/zinc/96/39/54/341963954.db2.gz GHWDBCYIRQJNIS-IBGZPJMESA-N 0 3 308.425 3.600 20 30 DHEDHN C[C@@H](CC(=O)N(C)c1ccccc1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000154343799 524344987 /nfs/dbraw/zinc/34/49/87/524344987.db2.gz NFJGAXJRYSNTCK-HOTGVXAUSA-N 0 3 321.424 3.650 20 30 DHEDHN Cc1ccc(CNCc2cccc(C#N)c2)c(-c2ccnn2C)c1 ZINC000338437389 524585548 /nfs/dbraw/zinc/58/55/48/524585548.db2.gz QODKTXMCRJYWDG-UHFFFAOYSA-N 0 3 316.408 3.557 20 30 DHEDHN C[C@@H](NC[C@@](C)(O)c1ccccc1Cl)c1cccc(C#N)c1 ZINC000157560140 525488633 /nfs/dbraw/zinc/48/86/33/525488633.db2.gz CSOTVZZNCVPZOS-FZKQIMNGSA-N 0 3 314.816 3.770 20 30 DHEDHN C[C@@H](NC[C@H](c1cccc(F)c1)N(C)C)c1cccc(C#N)c1 ZINC000181388152 525498392 /nfs/dbraw/zinc/49/83/92/525498392.db2.gz QJUNCSYFQRCNIW-AUUYWEPGSA-N 0 3 311.404 3.651 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C#N)cc1 ZINC000154348720 525604108 /nfs/dbraw/zinc/60/41/08/525604108.db2.gz FMDYKPGHIPEHMT-CABCVRRESA-N 0 3 317.396 3.551 20 30 DHEDHN N#Cc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1 ZINC000366028075 526612131 /nfs/dbraw/zinc/61/21/31/526612131.db2.gz DVXSNDYSRPAYNO-UHFFFAOYSA-N 0 3 304.393 3.580 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2CCCO[C@@H]2c2ccccc2)c(F)c1 ZINC000269423420 526623634 /nfs/dbraw/zinc/62/36/34/526623634.db2.gz MRYGGJKWNNWIHY-AZUAARDMSA-N 0 3 324.399 3.955 20 30 DHEDHN CCSc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000274448637 535741627 /nfs/dbraw/zinc/74/16/27/535741627.db2.gz QKSDIUIJRADMPN-UHFFFAOYSA-N 0 3 312.438 3.969 20 30 DHEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000299439474 535807768 /nfs/dbraw/zinc/80/77/68/535807768.db2.gz WMHYDZMDXLPILV-WMLDXEAASA-N 0 3 307.397 3.626 20 30 DHEDHN COc1cc(C)cc(CN[C@@H](CCC#N)c2ccccc2)c1O ZINC000894359628 1013101955 /nfs/dbraw/zinc/10/19/55/1013101955.db2.gz RYHODYYPZCKNIP-KRWDZBQOSA-N 0 3 310.397 3.844 20 30 DHEDHN C=CCN(CCSc1ccncc1)Cc1ccc(OC)cc1 ZINC001167117095 1013190747 /nfs/dbraw/zinc/19/07/47/1013190747.db2.gz ZRGCREFQEBETJF-UHFFFAOYSA-N 0 3 314.454 3.871 20 30 DHEDHN CCOc1ccc(CNCc2ccc(CC#N)cc2)cc1OCC ZINC000519154534 1013281670 /nfs/dbraw/zinc/28/16/70/1013281670.db2.gz SNNLLWLSYUXBDJ-UHFFFAOYSA-N 0 3 324.424 3.840 20 30 DHEDHN C=CCC[C@H](NCC(=O)N1CCCCCC1)c1ccccc1 ZINC000180034688 1017352882 /nfs/dbraw/zinc/35/28/82/1017352882.db2.gz UGHSJQCWMQOXLZ-SFHVURJKSA-N 0 3 300.446 3.686 20 30 DHEDHN C#CCN(CCOc1cccc(OC)c1)[C@H]1CCc2ccccc21 ZINC001167179119 1013361435 /nfs/dbraw/zinc/36/14/35/1013361435.db2.gz WFBQFAOFIAXJBB-NRFANRHFSA-N 0 3 321.420 3.697 20 30 DHEDHN CC(C)N(Cc1ccccc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001167248398 1013443889 /nfs/dbraw/zinc/44/38/89/1013443889.db2.gz PSIDVNPQOIANEY-LJQANCHMSA-N 0 3 312.388 3.641 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(C#N)cc2)s1 ZINC000430609580 1013618288 /nfs/dbraw/zinc/61/82/88/1013618288.db2.gz HOLACKBZYTZVEN-CYBMUJFWSA-N 0 3 309.394 3.802 20 30 DHEDHN C=CCN(CCOc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000519869814 1013619349 /nfs/dbraw/zinc/61/93/49/1013619349.db2.gz HBPKNRGKKGMXNG-UHFFFAOYSA-N 0 3 322.408 3.634 20 30 DHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@H](C)C[C@H](C)CC)C1 ZINC000330995299 1013852002 /nfs/dbraw/zinc/85/20/02/1013852002.db2.gz WTGYSJKRFZYEPM-BZUAXINKSA-N 0 3 320.481 3.821 20 30 DHEDHN C=CCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000610344735 1013953746 /nfs/dbraw/zinc/95/37/46/1013953746.db2.gz GNGYIKVNZMHSEP-OAHLLOKOSA-N 0 3 322.408 3.982 20 30 DHEDHN C=CCc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(OC)c1O ZINC000610344957 1013954030 /nfs/dbraw/zinc/95/40/30/1013954030.db2.gz OXQYBZFKJQDWFL-CQSZACIVSA-N 0 3 322.408 3.852 20 30 DHEDHN CCC(CC)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000610368539 1013997092 /nfs/dbraw/zinc/99/70/92/1013997092.db2.gz JPWDETKTAOTGBZ-UHFFFAOYSA-N 0 3 310.401 3.761 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000106338882 1032078232 /nfs/dbraw/zinc/07/82/32/1032078232.db2.gz RAUTWDVDCSRUJV-ZWKOTPCHSA-N 0 3 321.509 3.541 20 30 DHEDHN Cc1cc(Br)ccc1CNCc1cc(C#N)cs1 ZINC000177698769 1014011283 /nfs/dbraw/zinc/01/12/83/1014011283.db2.gz CMOCFEXYWRFGFA-UHFFFAOYSA-N 0 3 321.243 3.981 20 30 DHEDHN CN(Cc1ccc(N(C)CCC#N)cc1)Cc1cccc(F)c1 ZINC000160466286 1014094770 /nfs/dbraw/zinc/09/47/70/1014094770.db2.gz UQMGVQUXKGARKP-UHFFFAOYSA-N 0 3 311.404 3.808 20 30 DHEDHN C=CCN(CC1CCCCC1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC001167392536 1014113456 /nfs/dbraw/zinc/11/34/56/1014113456.db2.gz UMRUYRXZFHTHIY-LJQANCHMSA-N 0 3 318.505 3.988 20 30 DHEDHN COc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000155756459 1014160741 /nfs/dbraw/zinc/16/07/41/1014160741.db2.gz ITSUUWXCBJYCEX-CYBMUJFWSA-N 0 3 315.398 3.521 20 30 DHEDHN CC(C)[C@@](C)(NC#C[Si](C(C)C)(C(C)C)C(C)C)C(N)=O ZINC001167410884 1014168169 /nfs/dbraw/zinc/16/81/69/1014168169.db2.gz JKROUUJFHYRWKK-QGZVFWFLSA-N 0 3 310.558 3.655 20 30 DHEDHN C=CC[C@@H](Cc1ccccc1)n1cc(CNC2CCCC2)nn1 ZINC000656457235 1014667532 /nfs/dbraw/zinc/66/75/32/1014667532.db2.gz HUAXRTMUTHMLTB-IBGZPJMESA-N 0 3 310.445 3.670 20 30 DHEDHN N#Cc1ccc(NCCN2CCc3ccccc3C2)cc1Cl ZINC000521532067 1014722125 /nfs/dbraw/zinc/72/21/25/1014722125.db2.gz IMLBSVJKXHICRB-UHFFFAOYSA-N 0 3 311.816 3.682 20 30 DHEDHN COc1cccc(Oc2ncccc2CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442779405 1014729900 /nfs/dbraw/zinc/72/99/00/1014729900.db2.gz MFXDAAUIJUAXFK-GOEBONIOSA-N 0 3 323.396 3.664 20 30 DHEDHN Cc1c(CN2CCSCC2)cccc1N[C@H]1CC[C@@H](C#N)C1 ZINC000442851838 1014756150 /nfs/dbraw/zinc/75/61/50/1014756150.db2.gz GWTJPKKCARSPOY-WBVHZDCISA-N 0 3 315.486 3.648 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(Oc3ccccc3F)c2)C1 ZINC000442858100 1014758247 /nfs/dbraw/zinc/75/82/47/1014758247.db2.gz OCWIQCKIEOSCBP-DZGCQCFKSA-N 0 3 311.360 3.795 20 30 DHEDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2OC)C1 ZINC000121091739 1014923552 /nfs/dbraw/zinc/92/35/52/1014923552.db2.gz WUNUCZVMFSQULC-HZPDHXFCSA-N 0 3 304.459 3.673 20 30 DHEDHN CCCCCN(CC(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000126771543 1015235108 /nfs/dbraw/zinc/23/51/08/1015235108.db2.gz NFKZPFNWWNIHGP-UHFFFAOYSA-N 0 3 305.422 3.607 20 30 DHEDHN C=CCN(CCC(=O)Nc1ccc(F)cc1)Cc1cccs1 ZINC000051262259 1015387444 /nfs/dbraw/zinc/38/74/44/1015387444.db2.gz PGLXLQUNBVHJIP-UHFFFAOYSA-N 0 3 318.417 3.904 20 30 DHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000178178103 1015398889 /nfs/dbraw/zinc/39/88/89/1015398889.db2.gz SJNUUHGBXNOCED-UONOGXRCSA-N 0 3 319.408 3.855 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(C#N)c1 ZINC000178178079 1015398906 /nfs/dbraw/zinc/39/89/06/1015398906.db2.gz SJNUUHGBXNOCED-KBPBESRZSA-N 0 3 319.408 3.855 20 30 DHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-n2cncn2)cc1 ZINC000178179646 1015405320 /nfs/dbraw/zinc/40/53/20/1015405320.db2.gz CQHKCLFHVBCCAB-GJZGRUSLSA-N 0 3 317.396 3.551 20 30 DHEDHN CN(C)c1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000341658074 1015643220 /nfs/dbraw/zinc/64/32/20/1015643220.db2.gz MRTYIZZBJQWBEU-IBGZPJMESA-N 0 3 305.425 3.791 20 30 DHEDHN CC(C)(CN1CCC(C#N)CC1)c1ccc(Br)cc1 ZINC000891852939 1015683546 /nfs/dbraw/zinc/68/35/46/1015683546.db2.gz XAJRJOAINKJRJL-UHFFFAOYSA-N 0 3 321.262 3.962 20 30 DHEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1nc(Cl)cs1 ZINC000896632713 1015688210 /nfs/dbraw/zinc/68/82/10/1015688210.db2.gz MPUKQRWGJJEWFW-UHFFFAOYSA-N 0 3 305.834 3.779 20 30 DHEDHN C=CCN(CC=C)[C@H](CNCc1ncc(Cl)s1)C(C)C ZINC000349633001 1015776933 /nfs/dbraw/zinc/77/69/33/1015776933.db2.gz ROTJNQQKCWVPMV-CYBMUJFWSA-N 0 3 313.898 3.585 20 30 DHEDHN COc1ccc([C@H](C/N=C/c2ccccc2O)N2CCCC2)cc1 ZINC000022768458 1015819405 /nfs/dbraw/zinc/81/94/05/1015819405.db2.gz QHKVORRBGKUSPP-ORTNRGLGSA-N 0 3 324.424 3.657 20 30 DHEDHN N#Cc1cc(CN2CCC(c3c[nH]c4ccccc43)CC2)ccn1 ZINC000610991796 1015990291 /nfs/dbraw/zinc/99/02/91/1015990291.db2.gz ZHCXDFBFUZYNPI-UHFFFAOYSA-N 0 3 316.408 3.814 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)c(C)c2)CC1 ZINC000654296808 1017192402 /nfs/dbraw/zinc/19/24/02/1017192402.db2.gz BIHZKGCSJIQFKS-UHFFFAOYSA-N 0 3 321.852 3.810 20 30 DHEDHN N#Cc1ccc(CNC[C@H]2CC[C@H](c3ccccc3)O2)c(F)c1 ZINC000342415691 1016370155 /nfs/dbraw/zinc/37/01/55/1016370155.db2.gz KORKTZBWWOLNJC-IEBWSBKVSA-N 0 3 310.372 3.707 20 30 DHEDHN C[C@@H](CN(C)CCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000346474765 1016404597 /nfs/dbraw/zinc/40/45/97/1016404597.db2.gz DDTQMEYHVWABDA-NSHDSACASA-N 0 3 301.217 3.996 20 30 DHEDHN C=CCCn1cc(CN[C@H](CC)Cc2ccc(Cl)cc2)nn1 ZINC000657363886 1016475930 /nfs/dbraw/zinc/47/59/30/1016475930.db2.gz RFWLRSZSVALLPI-MRXNPFEDSA-N 0 3 318.852 3.619 20 30 DHEDHN C=C(C)COCCNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657399184 1016615178 /nfs/dbraw/zinc/61/51/78/1016615178.db2.gz PLQDWSQKPUGGBI-UHFFFAOYSA-N 0 3 316.376 3.695 20 30 DHEDHN Cc1cc(Br)c(CN[C@@H]2CCC[C@H](C#N)C2)s1 ZINC000595080358 1040071532 /nfs/dbraw/zinc/07/15/32/1040071532.db2.gz KRDJHLBNRLLLKV-WDEREUQCSA-N 0 3 313.264 3.991 20 30 DHEDHN COc1cc(CN[C@H]2CCCc3ccc(F)cc32)ccc1C#N ZINC000281840451 1016752409 /nfs/dbraw/zinc/75/24/09/1016752409.db2.gz YKMQDDFQLXFILA-SFHVURJKSA-N 0 3 310.372 3.873 20 30 DHEDHN C=C(CNCc1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000340434496 1016820839 /nfs/dbraw/zinc/82/08/39/1016820839.db2.gz OHZNUSZCZPMRFW-UHFFFAOYSA-N 0 3 303.409 3.734 20 30 DHEDHN C=CCCn1cc(CN[C@H]2CCC[C@H](c3ccccc3)C2)nn1 ZINC000657446815 1016854622 /nfs/dbraw/zinc/85/46/22/1016854622.db2.gz MBISJGVBFGDHHK-ROUUACIJSA-N 0 3 310.445 3.670 20 30 DHEDHN C=CCOCCN[C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000611622745 1016945671 /nfs/dbraw/zinc/94/56/71/1016945671.db2.gz PLDHMDSGAOPQLI-CQSZACIVSA-N 0 3 319.392 3.902 20 30 DHEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1COc2ccccc21 ZINC000185592446 1017032487 /nfs/dbraw/zinc/03/24/87/1017032487.db2.gz JHPFMLSTFQGGEI-KDOFPFPSSA-N 0 3 311.812 3.846 20 30 DHEDHN CC(C)n1cc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000772960734 1032199069 /nfs/dbraw/zinc/19/90/69/1032199069.db2.gz VKBFODKFWPJUAL-LSDHHAIUSA-N 0 3 312.417 3.778 20 30 DHEDHN C[C@H](NCc1cccc(-c2nccn2C)c1)c1ccc(C#N)s1 ZINC000362043072 1032207941 /nfs/dbraw/zinc/20/79/41/1032207941.db2.gz VTPDOFHXGJOQCK-ZDUSSCGKSA-N 0 3 322.437 3.871 20 30 DHEDHN CCCC(=O)Nc1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000924691792 1033325993 /nfs/dbraw/zinc/32/59/93/1033325993.db2.gz HKZCOYDMKGAZAH-AWEZNQCLSA-N 0 3 301.434 3.843 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC(C)(C)C)c1 ZINC000103638451 1032409517 /nfs/dbraw/zinc/40/95/17/1032409517.db2.gz LPQYFUBIQJZJML-OAHLLOKOSA-N 0 3 300.402 3.859 20 30 DHEDHN C=CCCC[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000179767203 1017301394 /nfs/dbraw/zinc/30/13/94/1017301394.db2.gz HQAIUKSUPSNRKI-INIZCTEOSA-N 0 3 300.446 3.757 20 30 DHEDHN C=CC1CCN(Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000093359160 1032532471 /nfs/dbraw/zinc/53/24/71/1032532471.db2.gz XHNTVLBCWRGRIN-UHFFFAOYSA-N 0 3 307.459 3.824 20 30 DHEDHN CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)[C@@H](N)CCCC#N ZINC000424115993 1011907533 /nfs/dbraw/zinc/90/75/33/1011907533.db2.gz BBYRYAPHEQLZOJ-JKSUJKDBSA-N 0 3 307.482 3.509 20 30 DHEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)nn1 ZINC000424294363 1011958851 /nfs/dbraw/zinc/95/88/51/1011958851.db2.gz KTRISZYCLVXILX-IAGOWNOFSA-N 0 3 316.836 3.543 20 30 DHEDHN C=CCn1cc(CN[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)nn1 ZINC000424297125 1011962674 /nfs/dbraw/zinc/96/26/74/1011962674.db2.gz PXOWWWOWADFPSN-ZBFHGGJFSA-N 0 3 316.836 3.543 20 30 DHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Br)ccc1F ZINC000424324822 1011981577 /nfs/dbraw/zinc/98/15/77/1011981577.db2.gz KFUQOLMGZGERNR-JBLDHEPKSA-N 0 3 311.198 3.931 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000424842510 1012153826 /nfs/dbraw/zinc/15/38/26/1012153826.db2.gz AWGTVCPBAVFVFF-INIZCTEOSA-N 0 3 320.502 3.730 20 30 DHEDHN N#Cc1cccnc1S[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000425284430 1012408063 /nfs/dbraw/zinc/40/80/63/1012408063.db2.gz QVCOBSLTTSELSS-QGZVFWFLSA-N 0 3 309.438 3.710 20 30 DHEDHN N#Cc1ccc(OCCN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000515495864 1012639532 /nfs/dbraw/zinc/63/95/32/1012639532.db2.gz KKVLVVAOOYFANC-IBGZPJMESA-N 0 3 310.372 3.913 20 30 DHEDHN C=C(C)[C@H](N[C@@H]1CCCc2cn[nH]c21)c1ccc(F)c(F)c1 ZINC000857865609 1032696174 /nfs/dbraw/zinc/69/61/74/1032696174.db2.gz OLUVUJNBOXOQJV-CVEARBPZSA-N 0 3 303.356 3.972 20 30 DHEDHN CN(CCCCC(C)(C)C#N)Cc1ccc([S@@](C)=O)cc1 ZINC000444635318 1017593694 /nfs/dbraw/zinc/59/36/94/1017593694.db2.gz AJRFSOQVUFHXEE-OAQYLSRUSA-N 0 3 306.475 3.576 20 30 DHEDHN CCOCCN(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444680323 1017627929 /nfs/dbraw/zinc/62/79/29/1017627929.db2.gz DZBWKGPVQMLUIW-UHFFFAOYSA-N 0 3 322.452 3.855 20 30 DHEDHN N#Cc1ccc(OCCNc2ccncc2-c2ccccc2)cc1 ZINC001171484006 1032725332 /nfs/dbraw/zinc/72/53/32/1032725332.db2.gz HBRUGBCVDBDVNF-UHFFFAOYSA-N 0 3 315.376 3.533 20 30 DHEDHN C#CC[C@H]1CCCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001171491505 1032733331 /nfs/dbraw/zinc/73/33/31/1032733331.db2.gz VNAUSSPIWYXIIB-BLLLJJGKSA-N 0 3 312.240 3.762 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000171710135 1017974199 /nfs/dbraw/zinc/97/41/99/1017974199.db2.gz KOCOGPYLTOIRMF-IRXDYDNUSA-N 0 3 321.509 3.541 20 30 DHEDHN CC#CCCN(C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445884402 1017997454 /nfs/dbraw/zinc/99/74/54/1017997454.db2.gz HFHIHSFJOWONDI-AWEZNQCLSA-N 0 3 308.219 3.618 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cc2ccccc2s1 ZINC000184365881 1018076323 /nfs/dbraw/zinc/07/63/23/1018076323.db2.gz DJOWDDDXKJKDGX-AWEZNQCLSA-N 0 3 314.454 3.753 20 30 DHEDHN C=CCCCCCN(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000524799397 1018096102 /nfs/dbraw/zinc/09/61/02/1018096102.db2.gz ACKBMIMLGMQOGI-GOSISDBHSA-N 0 3 317.477 3.677 20 30 DHEDHN COc1cc(C#N)ccc1CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124326733 1018172762 /nfs/dbraw/zinc/17/27/62/1018172762.db2.gz JQVYGVVIWHLKTQ-UONOGXRCSA-N 0 3 312.335 3.778 20 30 DHEDHN N#CC(C(=O)c1ccc(C2CC2)cn1)c1ccc2ccccc2n1 ZINC000674895030 1018187382 /nfs/dbraw/zinc/18/73/82/1018187382.db2.gz WCEOWYXFFVYKCK-INIZCTEOSA-N 0 3 313.360 3.997 20 30 DHEDHN C#CCCN1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000764229390 1018208522 /nfs/dbraw/zinc/20/85/22/1018208522.db2.gz AMXSFQCWVDKCKI-HNNXBMFYSA-N 0 3 311.425 3.670 20 30 DHEDHN CC[C@H](NCc1ccnc(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000278170985 1018262129 /nfs/dbraw/zinc/26/21/29/1018262129.db2.gz CLPKAKRWILIUIG-IBGZPJMESA-N 0 3 320.440 3.794 20 30 DHEDHN C=CC(C)(C)CC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001127776851 1018314542 /nfs/dbraw/zinc/31/45/42/1018314542.db2.gz VZNJJPYCWUZFEG-GOSISDBHSA-N 0 3 314.473 3.712 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)cc1 ZINC000173938704 1018374547 /nfs/dbraw/zinc/37/45/47/1018374547.db2.gz MZIYCRLAJLBNMF-KGLIPLIRSA-N 0 3 319.408 3.855 20 30 DHEDHN N#Cc1ccccc1CN[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171506393 1032760788 /nfs/dbraw/zinc/76/07/88/1032760788.db2.gz WDRPPEDIKJOEAX-CQSZACIVSA-N 0 3 316.326 3.623 20 30 DHEDHN C=CCCCN[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000447794905 1018476431 /nfs/dbraw/zinc/47/64/31/1018476431.db2.gz KQACTEMOMBSHOT-IBGZPJMESA-N 0 3 308.425 3.600 20 30 DHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000447999065 1018514359 /nfs/dbraw/zinc/51/43/59/1018514359.db2.gz IVNVATWKEHUJDM-KRWDZBQOSA-N 0 3 314.473 3.638 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Br)cc2F)C1 ZINC000765928052 1018840004 /nfs/dbraw/zinc/84/00/04/1018840004.db2.gz VGDRXFPWIMEIOX-ZWNOBZJWSA-N 0 3 311.198 3.760 20 30 DHEDHN CC(C)(C#N)c1ccc(CN[C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC000922989451 1018970705 /nfs/dbraw/zinc/97/07/05/1018970705.db2.gz NGRMYLAAYGOKQC-UXHICEINSA-N 0 3 320.436 3.626 20 30 DHEDHN C[C@@H]1CCC[C@H](C)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075767270 1019048048 /nfs/dbraw/zinc/04/80/48/1019048048.db2.gz ZRORHCMIKWQIPN-UONOGXRCSA-N 0 3 310.401 3.619 20 30 DHEDHN C[C@H](C#N)OCCN[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC001168554076 1019094288 /nfs/dbraw/zinc/09/42/88/1019094288.db2.gz ZVXOGKDVXAATGA-NXEZZACHSA-N 0 3 318.751 3.521 20 30 DHEDHN N#CC(C(=O)CCCOc1ccc2c(c1)CCC2)c1ccccn1 ZINC000132202521 1019449338 /nfs/dbraw/zinc/44/93/38/1019449338.db2.gz LWIRSTVYXWOONV-SFHVURJKSA-N 0 3 320.392 3.606 20 30 DHEDHN CCOc1ccccc1OCCNC1(c2cccc(C#N)c2)CC1 ZINC000611396076 1019472323 /nfs/dbraw/zinc/47/23/23/1019472323.db2.gz DUQWOAGIEYWPON-UHFFFAOYSA-N 0 3 322.408 3.615 20 30 DHEDHN COC(=O)Nc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000922124076 1019483729 /nfs/dbraw/zinc/48/37/29/1019483729.db2.gz UZSJLXLEPGCVAJ-UHFFFAOYSA-N 0 3 323.396 3.643 20 30 DHEDHN N#Cc1ccc(Br)c(CNCCC2(F)CCC2)c1 ZINC000922128322 1019491056 /nfs/dbraw/zinc/49/10/56/1019491056.db2.gz BOXNPONNUNQOKW-UHFFFAOYSA-N 0 3 311.198 3.693 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000611465857 1019492049 /nfs/dbraw/zinc/49/20/49/1019492049.db2.gz UXTWVFRLJSDAEG-WDEREUQCSA-N 0 3 324.359 3.691 20 30 DHEDHN CN(C)[C@H](CNc1nc(Cl)c(C#N)s1)c1cccc(F)c1 ZINC000278777847 1019770203 /nfs/dbraw/zinc/77/02/03/1019770203.db2.gz VOISXEFWNABDAT-LLVKDONJSA-N 0 3 324.812 3.522 20 30 DHEDHN C[C@H]1Cc2cc(CNC(C)(C)c3cccc(C#N)c3)ccc2O1 ZINC000922239456 1019915567 /nfs/dbraw/zinc/91/55/67/1019915567.db2.gz RDCRKDMSWQGGBL-AWEZNQCLSA-N 0 3 306.409 3.907 20 30 DHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000068706712 1019917259 /nfs/dbraw/zinc/91/72/59/1019917259.db2.gz MNNXHTGXUQYJCT-OAHLLOKOSA-N 0 3 319.408 3.536 20 30 DHEDHN C=C(C)CN1CCC(NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000729943039 1019927024 /nfs/dbraw/zinc/92/70/24/1019927024.db2.gz YTLAFUBFNIQTFL-UHFFFAOYSA-N 0 3 323.893 3.667 20 30 DHEDHN CN(Cc1ccc(C#N)s1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000128281919 1019928880 /nfs/dbraw/zinc/92/88/80/1019928880.db2.gz BBLXXQSSZCNQKC-MRXNPFEDSA-N 0 3 311.454 3.721 20 30 DHEDHN C=CCC[C@@H](NCC(=O)NC(C1CC1)C1CC1)c1ccccc1 ZINC000180036224 1019984843 /nfs/dbraw/zinc/98/48/43/1019984843.db2.gz IKRJOQPWYRGJLJ-GOSISDBHSA-N 0 3 312.457 3.588 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000650861771 1019996351 /nfs/dbraw/zinc/99/63/51/1019996351.db2.gz WORXNVRNLSHROF-HXUWFJFHSA-N 0 3 312.457 3.536 20 30 DHEDHN C=C(C)CN1CCC(Nc2cncc(-c3cccs3)n2)CC1 ZINC000338664692 1020093340 /nfs/dbraw/zinc/09/33/40/1020093340.db2.gz BSQUZQCUJOQXNU-UHFFFAOYSA-N 0 3 314.458 3.658 20 30 DHEDHN Cc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)c1 ZINC000190942036 1020099190 /nfs/dbraw/zinc/09/91/90/1020099190.db2.gz NNTNDLFTIWCZFA-OAHLLOKOSA-N 0 3 301.349 3.737 20 30 DHEDHN CCC(CC)CN(CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075625975 1020166363 /nfs/dbraw/zinc/16/63/63/1020166363.db2.gz NFSAJELCYAAZCD-UHFFFAOYSA-N 0 3 312.417 3.866 20 30 DHEDHN C=CCc1cc(CNCc2cc3ccccc3[nH]2)cc(OC)c1O ZINC000113330867 1020182382 /nfs/dbraw/zinc/18/23/82/1020182382.db2.gz DSZYWWQVBNRICQ-UHFFFAOYSA-N 0 3 322.408 3.900 20 30 DHEDHN Cc1ccc([C@H](C)NCc2ccc(C#N)cc2C)cc1[N+](=O)[O-] ZINC000186323543 1020235728 /nfs/dbraw/zinc/23/57/28/1020235728.db2.gz XECZHXMVBBAPAR-AWEZNQCLSA-N 0 3 309.369 3.934 20 30 DHEDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(C#N)cc1 ZINC000282392264 1020297907 /nfs/dbraw/zinc/29/79/07/1020297907.db2.gz GWKDNSFGLWUMAC-FQEVSTJZSA-N 0 3 324.424 3.600 20 30 DHEDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(C#N)cc1 ZINC000282392264 1020297914 /nfs/dbraw/zinc/29/79/14/1020297914.db2.gz GWKDNSFGLWUMAC-FQEVSTJZSA-N 0 3 324.424 3.600 20 30 DHEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2cc(CC)[nH]n2)cc1 ZINC000766003948 1020332820 /nfs/dbraw/zinc/33/28/20/1020332820.db2.gz QOLFGWRLMWNWCN-CYBMUJFWSA-N 0 3 319.836 3.954 20 30 DHEDHN C=C(C)COCCN[C@H](C)c1ccc(F)cc1OC(F)F ZINC000090451461 1020333080 /nfs/dbraw/zinc/33/30/80/1020333080.db2.gz LNPAQYNDJSZVLM-LLVKDONJSA-N 0 3 303.324 3.670 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc2c(c1)OCCCO2 ZINC000921667407 1020335771 /nfs/dbraw/zinc/33/57/71/1020335771.db2.gz OTKLUJQVNKOBPX-UHFFFAOYSA-N 0 3 322.408 3.626 20 30 DHEDHN N#CC(C(=O)CC/C=C\c1ccccc1)C(=O)NC1CCCCC1 ZINC000255757541 1020349998 /nfs/dbraw/zinc/34/99/98/1020349998.db2.gz WQSIIWHIRLPOQH-RLGIIYIFSA-N 0 3 324.424 3.638 20 30 DHEDHN C=CC[C@H]1CCCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC001171840552 1032901840 /nfs/dbraw/zinc/90/18/40/1032901840.db2.gz FDCFMMXMEABOSN-YOEHRIQHSA-N 0 3 318.848 3.733 20 30 DHEDHN C=CC[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccncc1 ZINC000766019583 1020446876 /nfs/dbraw/zinc/44/68/76/1020446876.db2.gz MOTONKQJPDGNPL-VELBRHGASA-N 0 3 314.454 3.787 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3[nH]cnc3c2)c1 ZINC000733800476 1020448533 /nfs/dbraw/zinc/44/85/33/1020448533.db2.gz VEDWLWNVYJGPIO-INIZCTEOSA-N 0 3 320.396 3.534 20 30 DHEDHN C=CC[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccncc1 ZINC000766020652 1020453725 /nfs/dbraw/zinc/45/37/25/1020453725.db2.gz QQVFXFFMKHGKKT-KBXCAEBGSA-N 0 3 321.424 3.934 20 30 DHEDHN N#Cc1ccc(C2=CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000537721962 1032904126 /nfs/dbraw/zinc/90/41/26/1032904126.db2.gz UKQWKNJDIBDNGM-UHFFFAOYSA-N 0 3 316.404 3.782 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(C2OCCO2)cc1 ZINC000921739219 1020606124 /nfs/dbraw/zinc/60/61/24/1020606124.db2.gz OKOUOTBNFZTXHP-UHFFFAOYSA-N 0 3 322.408 3.510 20 30 DHEDHN C=CCN1CC[C@@H](N[C@@H](CC(C)(C)C)c2ccccc2)C1=O ZINC000337182199 1032914378 /nfs/dbraw/zinc/91/43/78/1032914378.db2.gz MWBWNDWZMNAGDT-SJORKVTESA-N 0 3 300.446 3.540 20 30 DHEDHN CCCCCCN1CCN(Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140754122 1020647808 /nfs/dbraw/zinc/64/78/08/1020647808.db2.gz PEYUZCKAZOEZNG-UHFFFAOYSA-N 0 3 321.415 3.534 20 30 DHEDHN Cc1ccc(F)c(CN(C)CCCC2(C#N)CCOCC2)c1 ZINC000337205368 1032921213 /nfs/dbraw/zinc/92/12/13/1032921213.db2.gz KLNLWSFNCQWNPR-UHFFFAOYSA-N 0 3 304.409 3.667 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3ccsc3)nc21 ZINC000739189830 1020900346 /nfs/dbraw/zinc/90/03/46/1020900346.db2.gz GZWMAOFNSLKRDG-WCQYABFASA-N 0 3 309.394 3.913 20 30 DHEDHN Cc1cc(NCc2cccc(-c3ccc(C#N)s3)c2)nc(N)n1 ZINC000739890760 1020921151 /nfs/dbraw/zinc/92/11/51/1020921151.db2.gz VTCJGWWPDPGOND-UHFFFAOYSA-N 0 3 321.409 3.580 20 30 DHEDHN Cc1cccc(C2(O)CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000741808069 1021055801 /nfs/dbraw/zinc/05/58/01/1021055801.db2.gz DXLGCHGSWVPTEN-UHFFFAOYSA-N 0 3 320.436 3.659 20 30 DHEDHN C[C@@H](NCc1cccc(Cn2ccnc2)c1)c1cccc(C#N)c1 ZINC000181471551 1021192845 /nfs/dbraw/zinc/19/28/45/1021192845.db2.gz DBJAUUQQIQWRHQ-MRXNPFEDSA-N 0 3 316.408 3.654 20 30 DHEDHN C=CCN(Cc1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC000917520866 1021281067 /nfs/dbraw/zinc/28/10/67/1021281067.db2.gz WWYOYLJDFHOUDT-UHFFFAOYSA-N 0 3 300.446 3.709 20 30 DHEDHN C=CCc1cc(CN2CCCC(F)(F)CC2)cc(OC)c1O ZINC000628422090 1021291081 /nfs/dbraw/zinc/29/10/81/1021291081.db2.gz MOTDDHHBCOJXTO-UHFFFAOYSA-N 0 3 311.372 3.751 20 30 DHEDHN C[C@H](N[C@@H](C)[C@@H](O)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000781424816 1021368406 /nfs/dbraw/zinc/36/84/06/1021368406.db2.gz ZALQXHHOCJHJFE-OAVHHTNSSA-N 0 3 316.351 3.609 20 30 DHEDHN C=CCCC1(CNC(=O)C[C@H]2NCc3ccccc32)CCCC1 ZINC000659334860 1021377581 /nfs/dbraw/zinc/37/75/81/1021377581.db2.gz RGDABWDQWRGDSF-GOSISDBHSA-N 0 3 312.457 3.864 20 30 DHEDHN COCc1csc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000850120938 1021423650 /nfs/dbraw/zinc/42/36/50/1021423650.db2.gz KIUVIHBVGMWYSG-CYBMUJFWSA-N 0 3 316.426 3.648 20 30 DHEDHN CC[C@H](N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C#N)cc1 ZINC000618568511 1021426130 /nfs/dbraw/zinc/42/61/30/1021426130.db2.gz YJJZINTWDKHUGD-WBMJQRKESA-N 0 3 320.396 3.942 20 30 DHEDHN COCCN(Cc1ccc(OCC#N)cc1)[C@H](C)c1ccccc1 ZINC000264568753 1032979883 /nfs/dbraw/zinc/97/98/83/1032979883.db2.gz QOSUYJIMVFSENS-QGZVFWFLSA-N 0 3 324.424 3.799 20 30 DHEDHN Cc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000618741563 1021502029 /nfs/dbraw/zinc/50/20/29/1021502029.db2.gz GHTJRKKAZVLXQL-QGZVFWFLSA-N 0 3 307.353 3.552 20 30 DHEDHN C[C@@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)c2c1c(F)ccc2[O-] ZINC000850486754 1021560502 /nfs/dbraw/zinc/56/05/02/1021560502.db2.gz DBAVZXPMUKZDCA-WBMJQRKESA-N 0 3 310.372 3.784 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@H](COC)C2)cc1Cl ZINC000093337386 1021563379 /nfs/dbraw/zinc/56/33/79/1021563379.db2.gz XDCGBWALTVUKMW-HNNXBMFYSA-N 0 3 309.837 3.763 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000850739135 1021631590 /nfs/dbraw/zinc/63/15/90/1021631590.db2.gz SOJBIQNNMIVWQB-KBPBESRZSA-N 0 3 307.397 3.720 20 30 DHEDHN COCCCC[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000619292055 1021709759 /nfs/dbraw/zinc/70/97/59/1021709759.db2.gz XVYBPIYZSFUVGM-IBGZPJMESA-N 0 3 309.413 3.601 20 30 DHEDHN C[C@H]1CCCC[C@H]1N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173190524 1021751555 /nfs/dbraw/zinc/75/15/55/1021751555.db2.gz BCWFBIQWDTYGQV-XJKSGUPXSA-N 0 3 310.401 3.619 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(O)c(F)c2)c1 ZINC000892973686 1021753193 /nfs/dbraw/zinc/75/31/93/1021753193.db2.gz VHEHDBAFANJBCJ-HNNXBMFYSA-N 0 3 314.360 3.502 20 30 DHEDHN C=CCN(CCC1(OC)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000338933870 1021815649 /nfs/dbraw/zinc/81/56/49/1021815649.db2.gz OIDDCIPPYKCSIF-UHFFFAOYSA-N 0 3 304.390 3.542 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000728711566 1021858297 /nfs/dbraw/zinc/85/82/97/1021858297.db2.gz GFBKSOKRAUCMFF-HUUCEWRRSA-N 0 3 305.381 3.700 20 30 DHEDHN N#CCCOCCN1CC=C(c2cccc3ccccc32)CC1 ZINC000338940955 1021966894 /nfs/dbraw/zinc/96/68/94/1021966894.db2.gz NGAGUIKESFWVOJ-UHFFFAOYSA-N 0 3 306.409 3.859 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000766349815 1022061993 /nfs/dbraw/zinc/06/19/93/1022061993.db2.gz IMAFYHPIIGQCNB-HOTGVXAUSA-N 0 3 304.393 3.982 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000620309316 1022119481 /nfs/dbraw/zinc/11/94/81/1022119481.db2.gz NQDUUCUOUJOXKN-HSALFYBXSA-N 0 3 324.468 3.751 20 30 DHEDHN COc1cccc2cc(CN(C)Cc3cccc(C#N)c3)oc21 ZINC000920488889 1022126950 /nfs/dbraw/zinc/12/69/50/1022126950.db2.gz BSIIMLOAHUPEIJ-UHFFFAOYSA-N 0 3 306.365 3.945 20 30 DHEDHN C=C[C@@H](N[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001168841262 1022150997 /nfs/dbraw/zinc/15/09/97/1022150997.db2.gz YIAKKHCYQXEACA-DJIMGWMZSA-N 0 3 316.445 3.901 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2cccs2)c([O-])c1 ZINC000920945045 1022193932 /nfs/dbraw/zinc/19/39/32/1022193932.db2.gz NTWKXWBFDMGTJK-QGOAFFKASA-N 0 3 302.443 3.962 20 30 DHEDHN C[C@]1(Br)C[C@H]1CN[C@@H](CCC#N)c1ccccc1 ZINC000893195203 1022211616 /nfs/dbraw/zinc/21/16/16/1022211616.db2.gz VRMXMZCQNBLTOX-KKUMJFAQSA-N 0 3 307.235 3.795 20 30 DHEDHN CCCC[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])C1CCC1 ZINC001169113948 1022269826 /nfs/dbraw/zinc/26/98/26/1022269826.db2.gz VTJGCFZPXRCBKX-INIZCTEOSA-N 0 3 301.390 3.915 20 30 DHEDHN Cc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000175101262 1022291947 /nfs/dbraw/zinc/29/19/47/1022291947.db2.gz LMBLDXJSLIQEGB-ZDUSSCGKSA-N 0 3 316.744 3.511 20 30 DHEDHN Cc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000175101248 1022292597 /nfs/dbraw/zinc/29/25/97/1022292597.db2.gz LMBLDXJSLIQEGB-CYBMUJFWSA-N 0 3 316.744 3.511 20 30 DHEDHN CC[C@@H]1c2ccccc2CCN1CCOc1ccccc1C#N ZINC000609625758 1022317496 /nfs/dbraw/zinc/31/74/96/1022317496.db2.gz YUKFZXXQTDJYCZ-LJQANCHMSA-N 0 3 306.409 3.946 20 30 DHEDHN Cc1csc(C(C#N)C(=O)Nc2cccc3ccccc32)n1 ZINC000155399673 1022396856 /nfs/dbraw/zinc/39/68/56/1022396856.db2.gz XOSIFJUXRVEYTP-CQSZACIVSA-N 0 3 307.378 3.851 20 30 DHEDHN N#CC(C(=O)CCc1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000766839595 1022551926 /nfs/dbraw/zinc/55/19/26/1022551926.db2.gz AVDYKBSBJIHGQF-AWEZNQCLSA-N 0 3 318.298 3.909 20 30 DHEDHN C#CCCCN(Cc1cc(Br)ccc1F)C1CC1 ZINC000766895156 1022606460 /nfs/dbraw/zinc/60/64/60/1022606460.db2.gz JOZRIAUJCLLOEY-UHFFFAOYSA-N 0 3 310.210 3.966 20 30 DHEDHN Cc1cccc(C)c1NC(=O)CCCN(CCC#N)CC(C)C ZINC000766897269 1022606778 /nfs/dbraw/zinc/60/67/78/1022606778.db2.gz ADLWURBMEJVQTM-UHFFFAOYSA-N 0 3 315.461 3.894 20 30 DHEDHN C=CCSc1ccccc1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617008906 1022806460 /nfs/dbraw/zinc/80/64/60/1022806460.db2.gz OFDJEBMVEUYFFW-CQSZACIVSA-N 0 3 318.486 3.567 20 30 DHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1C ZINC000116591993 1033086165 /nfs/dbraw/zinc/08/61/65/1033086165.db2.gz GEORYRQPFNDAKL-NVXWUHKLSA-N 0 3 314.429 3.504 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN(C)C1CCCC1 ZINC000053436000 1022919222 /nfs/dbraw/zinc/91/92/22/1022919222.db2.gz QOUQMNZIMKCLAW-UHFFFAOYSA-N 0 3 304.459 3.778 20 30 DHEDHN C=CC[C@H](N[C@H]1CCN(C(C)=O)c2ccccc21)c1ccncc1 ZINC000857076760 1022944361 /nfs/dbraw/zinc/94/43/61/1022944361.db2.gz XLUSPQBFHXADOY-OALUTQOASA-N 0 3 321.424 3.786 20 30 DHEDHN Cc1nc2cc(Nc3sc4c(c3C#N)CCN(C)C4)ccc2[nH]1 ZINC001213070561 1022954802 /nfs/dbraw/zinc/95/48/02/1022954802.db2.gz WEDPVOCLOPQANT-UHFFFAOYSA-N 0 3 323.425 3.536 20 30 DHEDHN Cc1nc2ccc(Nc3sc4c(c3C#N)CCN(C)C4)cc2[nH]1 ZINC001213070561 1022954804 /nfs/dbraw/zinc/95/48/04/1022954804.db2.gz WEDPVOCLOPQANT-UHFFFAOYSA-N 0 3 323.425 3.536 20 30 DHEDHN N#CC1(CN[C@H]2CCc3cc(Br)ccc3C2)CCC1 ZINC000418145346 1022975394 /nfs/dbraw/zinc/97/53/94/1022975394.db2.gz XOLZOVCYCLFWJI-HNNXBMFYSA-N 0 3 319.246 3.590 20 30 DHEDHN CC(C)(C)OC(=O)[C@@]1(C)CCCN1CC1CCC(C#N)CC1 ZINC000931111157 1022983775 /nfs/dbraw/zinc/98/37/75/1022983775.db2.gz FHHJLPJARRJBRF-JTTJXQCZSA-N 0 3 306.450 3.513 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cc(F)cc(F)c1F ZINC001172290712 1033094943 /nfs/dbraw/zinc/09/49/43/1033094943.db2.gz RRKDVFSURUJVJC-NSHDSACASA-N 0 3 304.315 3.696 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1SC(F)(F)F ZINC000876577494 1033095507 /nfs/dbraw/zinc/09/55/07/1033095507.db2.gz BDSLGYMWZUQHBN-MRVPVSSYSA-N 0 3 324.755 3.707 20 30 DHEDHN CN(C1CCCC1)C(C)(C)C(=O)OCCCCC(C)(C)C#N ZINC000768830237 1023039423 /nfs/dbraw/zinc/03/94/23/1023039423.db2.gz DOVLUPHQICUGSJ-UHFFFAOYSA-N 0 3 308.466 3.903 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc3ncccc3c2)cc1 ZINC000192980886 1023072241 /nfs/dbraw/zinc/07/22/41/1023072241.db2.gz WIDPJSYKSCDYKU-HNNXBMFYSA-N 0 3 317.392 3.815 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000876599816 1033103440 /nfs/dbraw/zinc/10/34/40/1033103440.db2.gz KZNRPXCKHFSWGK-MRXNPFEDSA-N 0 3 324.827 3.567 20 30 DHEDHN C=C[C@@](C)(O)CN1CCC[C@H]1c1ccc(Br)cc1 ZINC001252541498 1033103799 /nfs/dbraw/zinc/10/37/99/1033103799.db2.gz MOYAUXGVDYXVKB-LSDHHAIUSA-N 0 3 310.235 3.523 20 30 DHEDHN CCOc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1OC ZINC000047609905 1023359676 /nfs/dbraw/zinc/35/96/76/1023359676.db2.gz WRYUEPHCQXVXSW-CQSZACIVSA-N 0 3 310.397 3.816 20 30 DHEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710564 1023385173 /nfs/dbraw/zinc/38/51/73/1023385173.db2.gz UZNRJBCDRGKGGE-WCQYABFASA-N 0 3 307.825 3.536 20 30 DHEDHN C=CC[C@@H]1CC[C@H](N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)C1 ZINC000651766203 1023529411 /nfs/dbraw/zinc/52/94/11/1023529411.db2.gz ZKKQHXXZICOBOO-MDASCCDHSA-N 0 3 313.420 3.983 20 30 DHEDHN C#CCN(Cc1cccc(OCC)c1O)[C@@H]1CCc2ccccc21 ZINC000772600093 1023577372 /nfs/dbraw/zinc/57/73/72/1023577372.db2.gz SYJPRZSTLGUTRN-LJQANCHMSA-N 0 3 321.420 3.914 20 30 DHEDHN CC(=O)Nc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594494424 1023589874 /nfs/dbraw/zinc/58/98/74/1023589874.db2.gz FXMHVOQGCRTPQV-UHFFFAOYSA-N 0 3 321.424 3.736 20 30 DHEDHN COc1c(C)cc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1C ZINC000785617565 1023599131 /nfs/dbraw/zinc/59/91/31/1023599131.db2.gz NHWGDUGDXVOJRS-LJQANCHMSA-N 0 3 306.409 3.961 20 30 DHEDHN COc1c(C)cc(CN[C@H]2CCc3cc(C#N)ccc32)cc1C ZINC000785617561 1023599151 /nfs/dbraw/zinc/59/91/51/1023599151.db2.gz NHWGDUGDXVOJRS-IBGZPJMESA-N 0 3 306.409 3.961 20 30 DHEDHN N#CC1CCC(CN[C@H]2COCc3cccc(Cl)c32)CC1 ZINC000788816185 1023940013 /nfs/dbraw/zinc/94/00/13/1023940013.db2.gz QNTJQGILEODWGG-ZUEPYMLJSA-N 0 3 304.821 3.831 20 30 DHEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NNCCc1ccccn1 ZINC000789112661 1024001110 /nfs/dbraw/zinc/00/11/10/1024001110.db2.gz IVIPUXWTFITUGN-IPBLANJNSA-N 0 3 320.440 3.511 20 30 DHEDHN CSC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CC1 ZINC000789369532 1024062738 /nfs/dbraw/zinc/06/27/38/1024062738.db2.gz SSYJATLPNVODFJ-SECBINFHSA-N 0 3 306.387 3.507 20 30 DHEDHN CN(C)[C@H](C/N=C/c1ccccc1O)c1ccc(Cl)cc1 ZINC000746817209 1024078449 /nfs/dbraw/zinc/07/84/49/1024078449.db2.gz YGIAXPWSXLFGLY-YDDPGSGASA-N 0 3 302.805 3.767 20 30 DHEDHN C=CCCC[C@@H](NCc1ccc(C)n(C)c1=O)c1ccccc1 ZINC000883219703 1024296895 /nfs/dbraw/zinc/29/68/95/1024296895.db2.gz YANFEFCVAYWIPI-LJQANCHMSA-N 0 3 310.441 3.881 20 30 DHEDHN C=CCC[C@@H](Cc1ccccc1)NCc1csc(COC)n1 ZINC000883223128 1024298696 /nfs/dbraw/zinc/29/86/96/1024298696.db2.gz IVTUYYQQJXRLOS-INIZCTEOSA-N 0 3 316.470 3.957 20 30 DHEDHN C#Cc1ccc(CN[C@@H]2CCCOc3c(OC)cccc32)cc1 ZINC000883330014 1024383305 /nfs/dbraw/zinc/38/33/05/1024383305.db2.gz WDTDVCDPRWYIJL-GOSISDBHSA-N 0 3 307.393 3.680 20 30 DHEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)c1ccc(F)cc1 ZINC000877020371 1033207611 /nfs/dbraw/zinc/20/76/11/1033207611.db2.gz QPSSSVHDVCTOMY-NSHDSACASA-N 0 3 303.768 3.639 20 30 DHEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000883393277 1024425625 /nfs/dbraw/zinc/42/56/25/1024425625.db2.gz ZCJPEEWPAQSAOC-HZPDHXFCSA-N 0 3 312.413 3.852 20 30 DHEDHN CCn1cc([C@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000453353504 1024478443 /nfs/dbraw/zinc/47/84/43/1024478443.db2.gz ICVRSANWKSZQSP-LIRRHRJNSA-N 0 3 308.429 3.893 20 30 DHEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)c1cccs1 ZINC000877040665 1033214329 /nfs/dbraw/zinc/21/43/29/1033214329.db2.gz RNLVCWDQRJTLSY-UHFFFAOYSA-N 0 3 305.834 3.736 20 30 DHEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)c1cccc(F)c1 ZINC000877037259 1033216021 /nfs/dbraw/zinc/21/60/21/1033216021.db2.gz YXHAJYJKCVVFDH-UHFFFAOYSA-N 0 3 317.795 3.813 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2c(O)cccc21 ZINC000585726626 1024573115 /nfs/dbraw/zinc/57/31/15/1024573115.db2.gz SXDQBTCAIGVMIV-RTBURBONSA-N 0 3 304.393 3.918 20 30 DHEDHN Cc1nc(C)c([C@@H](C)N(C)CCOc2ccccc2C#N)s1 ZINC000106877673 1024607278 /nfs/dbraw/zinc/60/72/78/1024607278.db2.gz NPUHWDOBBXOZCC-CYBMUJFWSA-N 0 3 315.442 3.703 20 30 DHEDHN CN(C)C[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000282880622 1024663586 /nfs/dbraw/zinc/66/35/86/1024663586.db2.gz RVFBAJIUAQXTPY-GOSISDBHSA-N 0 3 313.832 3.604 20 30 DHEDHN COc1cc(N2CCN([C@@H](C)CCCC#N)CC2)ccc1Cl ZINC001172497380 1033227875 /nfs/dbraw/zinc/22/78/75/1033227875.db2.gz BKBBXJUSOVMNOI-AWEZNQCLSA-N 0 3 321.852 3.553 20 30 DHEDHN CCO[C@H](CCNCc1cc(C#N)cnc1Cl)C1CCCC1 ZINC000877079385 1033231145 /nfs/dbraw/zinc/23/11/45/1033231145.db2.gz DOCMIICOSWGUMZ-MRXNPFEDSA-N 0 3 321.852 3.682 20 30 DHEDHN Cc1cc2ccccc2nc1N1CCN([C@H](C)CCCC#N)CC1 ZINC001172501934 1033233002 /nfs/dbraw/zinc/23/30/02/1033233002.db2.gz SIVIPINYDUFVRD-QGZVFWFLSA-N 0 3 322.456 3.748 20 30 DHEDHN CC(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000349822707 1024758612 /nfs/dbraw/zinc/75/86/12/1024758612.db2.gz QOBULFHYPLBEOL-DOTOQJQBSA-N 0 3 308.429 3.778 20 30 DHEDHN CC(C)(C)[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000054396976 1024767958 /nfs/dbraw/zinc/76/79/58/1024767958.db2.gz SOGRTLLUKAFNOF-IBGZPJMESA-N 0 3 321.424 3.874 20 30 DHEDHN C[C@@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)CCCC1=O ZINC001170379068 1024767999 /nfs/dbraw/zinc/76/79/99/1024767999.db2.gz OZIDLSJFNZGUGW-PPDQVPDSSA-N 0 3 310.441 3.692 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c(Cl)c2F)CC1 ZINC000279272929 1024829557 /nfs/dbraw/zinc/82/95/57/1024829557.db2.gz RWSATBMQYWCHSL-UHFFFAOYSA-N 0 3 324.827 3.558 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000793231830 1024944873 /nfs/dbraw/zinc/94/48/73/1024944873.db2.gz RBYAPYRGAVWYPP-JMSVASOKSA-N 0 3 312.335 3.750 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@](C)(OC)CC1 ZINC000793340492 1024984924 /nfs/dbraw/zinc/98/49/24/1024984924.db2.gz OZNGONLNFWITNC-SFHVURJKSA-N 0 3 321.848 3.743 20 30 DHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc([S@@](C)=O)cc1 ZINC000353264391 1025004884 /nfs/dbraw/zinc/00/48/84/1025004884.db2.gz HBRMHTRLWQZHKV-CUKRAGERSA-N 0 3 324.449 3.634 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000279456435 1025039002 /nfs/dbraw/zinc/03/90/02/1025039002.db2.gz CHBMIJXONSLFMR-AYBZRNKSSA-N 0 3 312.457 3.732 20 30 DHEDHN N#Cc1ccc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)s1 ZINC000120790635 1025055345 /nfs/dbraw/zinc/05/53/45/1025055345.db2.gz GNQHQECGGKBIJG-RDTXWAMCSA-N 0 3 312.438 3.877 20 30 DHEDHN CC(=NN[C@H](C)COc1ccccc1)c1c(C)cc(N)cc1C ZINC000884469967 1025127215 /nfs/dbraw/zinc/12/72/15/1025127215.db2.gz AVWPBIKFKWWVHD-OAHLLOKOSA-N 0 3 311.429 3.667 20 30 DHEDHN COc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccc1C#N ZINC000353650564 1025175302 /nfs/dbraw/zinc/17/53/02/1025175302.db2.gz RJUIUUMVLLTIBF-LJQANCHMSA-N 0 3 317.392 3.606 20 30 DHEDHN CCN(CC)[C@@H](CNc1nc(Cl)c(C#N)s1)c1ccco1 ZINC000804386923 1025269209 /nfs/dbraw/zinc/26/92/09/1025269209.db2.gz JONWKFOVZCDEHM-JTQLQIEISA-N 0 3 324.837 3.756 20 30 DHEDHN N#CCCC[C@@H](NCc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000353915930 1025290288 /nfs/dbraw/zinc/29/02/88/1025290288.db2.gz OQHXSKGVOOMGOM-CQSZACIVSA-N 0 3 322.334 3.953 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC(F)(F)CC1 ZINC000136098681 1025384171 /nfs/dbraw/zinc/38/41/71/1025384171.db2.gz NZZVAYOKIDTVDR-GFCCVEGCSA-N 0 3 317.339 3.575 20 30 DHEDHN CC[C@@H]1c2ccsc2CCN1C[C@@H](O)CC1(C#N)CCC1 ZINC000885956457 1025419221 /nfs/dbraw/zinc/41/92/21/1025419221.db2.gz QCAKXFQNPCVODU-DZGCQCFKSA-N 0 3 304.459 3.502 20 30 DHEDHN CC[C@H]1c2ccsc2CCN1C[C@H](O)CC1(C#N)CCC1 ZINC000885956458 1025420369 /nfs/dbraw/zinc/42/03/69/1025420369.db2.gz QCAKXFQNPCVODU-HIFRSBDPSA-N 0 3 304.459 3.502 20 30 DHEDHN N#CC(C(=O)c1cccc(OC2CCCCC2)c1)c1ccncn1 ZINC000354454921 1025435472 /nfs/dbraw/zinc/43/54/72/1025435472.db2.gz ASZMOAOAMHFFAF-QGZVFWFLSA-N 0 3 321.380 3.678 20 30 DHEDHN CC[C@H](C)N[C@@H](CNc1snc(Cl)c1C#N)c1ccco1 ZINC000804780892 1025481848 /nfs/dbraw/zinc/48/18/48/1025481848.db2.gz FEEAHLHITVUVAK-ONGXEEELSA-N 0 3 324.837 3.802 20 30 DHEDHN CCOCCN(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000354768985 1025501924 /nfs/dbraw/zinc/50/19/24/1025501924.db2.gz QRGVLCCLCVUISB-UHFFFAOYSA-N 0 3 324.424 3.606 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@H]3CC[C@@H](C4CC4)O3)CC2)cc1 ZINC000886100279 1025505995 /nfs/dbraw/zinc/50/59/95/1025505995.db2.gz JWRJKUMUTAWGPZ-UXHICEINSA-N 0 3 308.425 3.605 20 30 DHEDHN C[C@H](NC[C@@H]1CCC2(CCC2)CO1)c1ccc(C#N)cc1F ZINC000886125360 1025519351 /nfs/dbraw/zinc/51/93/51/1025519351.db2.gz PHMQFWJXRDTFHI-ZFWWWQNUSA-N 0 3 302.393 3.697 20 30 DHEDHN CSc1ccc(CNCc2cccc3c2CCOC3)cc1C#N ZINC000886277564 1025576559 /nfs/dbraw/zinc/57/65/59/1025576559.db2.gz VLCUJEAQCSWYQY-UHFFFAOYSA-N 0 3 324.449 3.643 20 30 DHEDHN C#CC[C@H]1CCN([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000886359323 1025601955 /nfs/dbraw/zinc/60/19/55/1025601955.db2.gz ARFQHAPSQQDMJK-CVEARBPZSA-N 0 3 309.413 3.760 20 30 DHEDHN C#CC[C@@H]1CCN([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000886356194 1025602234 /nfs/dbraw/zinc/60/22/34/1025602234.db2.gz VRSRGAVJCDYNEH-UONOGXRCSA-N 0 3 313.376 3.590 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000886360493 1025602734 /nfs/dbraw/zinc/60/27/34/1025602734.db2.gz WWHKXJXZUNDSKP-LLVKDONJSA-N 0 3 308.303 3.692 20 30 DHEDHN C#CC[C@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000886355340 1025603931 /nfs/dbraw/zinc/60/39/31/1025603931.db2.gz GRPKUMDQGGOERB-ZDUSSCGKSA-N 0 3 300.789 3.840 20 30 DHEDHN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(OCC#N)cc2)C1 ZINC000805750185 1025657471 /nfs/dbraw/zinc/65/74/71/1025657471.db2.gz XVBFFOCOADQIIN-BEFAXECRSA-N 0 3 307.397 3.567 20 30 DHEDHN C=C(C)[C@@H](C)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805916829 1025710064 /nfs/dbraw/zinc/71/00/64/1025710064.db2.gz PKNDPFUQKVXALR-MRXNPFEDSA-N 0 3 301.430 3.797 20 30 DHEDHN CC(C)(CCC#N)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000805947713 1025717805 /nfs/dbraw/zinc/71/78/05/1025717805.db2.gz AZBANACVPKVDCE-UHFFFAOYSA-N 0 3 314.429 3.769 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2nc(Cl)ccc21 ZINC000806164139 1025821952 /nfs/dbraw/zinc/82/19/52/1025821952.db2.gz ZLBXADIPQCXMPY-HZPDHXFCSA-N 0 3 309.800 3.871 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2nc(Cl)ccc21 ZINC000806164138 1025823085 /nfs/dbraw/zinc/82/30/85/1025823085.db2.gz ZLBXADIPQCXMPY-HOTGVXAUSA-N 0 3 309.800 3.871 20 30 DHEDHN C[C@H]1CCC[C@@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075637847 1025847528 /nfs/dbraw/zinc/84/75/28/1025847528.db2.gz UWWALPDFYJAKLC-XJKSGUPXSA-N 0 3 310.401 3.619 20 30 DHEDHN CCC(CC)CN(CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075625955 1025848725 /nfs/dbraw/zinc/84/87/25/1025848725.db2.gz AKTFNIXVRWWHTB-UHFFFAOYSA-N 0 3 312.417 3.866 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000729685511 1025953323 /nfs/dbraw/zinc/95/33/23/1025953323.db2.gz FKNKXOGIEFSACU-CQSZACIVSA-N 0 3 310.372 3.895 20 30 DHEDHN C=CCCC1(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000356253648 1025997406 /nfs/dbraw/zinc/99/74/06/1025997406.db2.gz LFHGBWBUSBDOKL-DOTOQJQBSA-N 0 3 300.446 3.540 20 30 DHEDHN C=C(C)CCN[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000419246295 1026004138 /nfs/dbraw/zinc/00/41/38/1026004138.db2.gz WBSCYCWKSOAHRA-IBGZPJMESA-N 0 3 308.425 3.600 20 30 DHEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2cnn(C)c2C)cc1 ZINC000090887742 1026089136 /nfs/dbraw/zinc/08/91/36/1026089136.db2.gz HTSQCGKNKIHVAC-CYBMUJFWSA-N 0 3 319.836 3.711 20 30 DHEDHN COc1cc(F)c([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000249001349 1026135076 /nfs/dbraw/zinc/13/50/76/1026135076.db2.gz QRRGQNLFTVOVOF-XQQFMLRXSA-N 0 3 306.381 3.576 20 30 DHEDHN CN(CC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419330635 1026173570 /nfs/dbraw/zinc/17/35/70/1026173570.db2.gz IBYXDMAPOLVHKU-UONOGXRCSA-N 0 3 319.474 3.705 20 30 DHEDHN C#C[C@H](N[C@H]1CCCc2c3cc(C)ccc3[nH]c21)[C@@H]1CCCO1 ZINC000808715914 1026365042 /nfs/dbraw/zinc/36/50/42/1026365042.db2.gz YTDIUDMCDLVLQO-WDSOQIARSA-N 0 3 308.425 3.624 20 30 DHEDHN C#Cc1ccc(CN(C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000809540030 1026549090 /nfs/dbraw/zinc/54/90/90/1026549090.db2.gz IOKWZRKERNNKBR-UHFFFAOYSA-N 0 3 309.409 3.626 20 30 DHEDHN C=CCOc1ccccc1CNCCO[C@H]1CCCC[C@H]1C ZINC000513643452 1026552704 /nfs/dbraw/zinc/55/27/04/1026552704.db2.gz OVORJVYRMHFEKA-AEFFLSMTSA-N 0 3 303.446 3.936 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(OCC(F)F)c2)cc1 ZINC000809617137 1026566144 /nfs/dbraw/zinc/56/61/44/1026566144.db2.gz IRRRMVVOBUHSRD-UHFFFAOYSA-N 0 3 301.336 3.602 20 30 DHEDHN C#Cc1ccc(CNCc2ccccc2N2CCCCC2)cc1 ZINC000809634382 1026579290 /nfs/dbraw/zinc/57/92/90/1026579290.db2.gz AQLDPBFICZOJSL-UHFFFAOYSA-N 0 3 304.437 3.948 20 30 DHEDHN C#C[C@H](C)NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000809682927 1026591083 /nfs/dbraw/zinc/59/10/83/1026591083.db2.gz IOAVKFPUVJZKHB-AWEZNQCLSA-N 0 3 313.372 3.525 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000809729327 1026595054 /nfs/dbraw/zinc/59/50/54/1026595054.db2.gz SKEIZLVTDRGMRN-BEFAXECRSA-N 0 3 307.397 3.710 20 30 DHEDHN CN(C)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1F ZINC000810214707 1026706905 /nfs/dbraw/zinc/70/69/05/1026706905.db2.gz GXACTVUEMRGKAC-GOSISDBHSA-N 0 3 309.388 3.540 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc2c(c1)CCO2 ZINC000810251816 1026730025 /nfs/dbraw/zinc/73/00/25/1026730025.db2.gz YPWSQSCVNHPCGG-GOSISDBHSA-N 0 3 322.408 3.743 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2cccc(C#N)c2)s1 ZINC000419838471 1026766961 /nfs/dbraw/zinc/76/69/61/1026766961.db2.gz OSYVVHAPHKKJSO-ZDUSSCGKSA-N 0 3 324.409 3.558 20 30 DHEDHN C[C@@H](CN(Cc1ccccc1C#N)[C@@H](C)CO)c1ccccc1 ZINC000561909848 1027119704 /nfs/dbraw/zinc/11/97/04/1027119704.db2.gz ACOUALFZLYQONH-IRXDYDNUSA-N 0 3 308.425 3.545 20 30 DHEDHN C=CCSc1ccccc1C(=O)NCCN1CCCC[C@H]1C ZINC000362388361 1027179484 /nfs/dbraw/zinc/17/94/84/1027179484.db2.gz GDABIWDOSRISFZ-OAHLLOKOSA-N 0 3 318.486 3.569 20 30 DHEDHN C#CCCN1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000362455126 1027214720 /nfs/dbraw/zinc/21/47/20/1027214720.db2.gz WGVPZLLSBCPECB-UHFFFAOYSA-N 0 3 319.408 3.712 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1F)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812854720 1027452982 /nfs/dbraw/zinc/45/29/82/1027452982.db2.gz VYRDQSKZZBPDCX-AUUYWEPGSA-N 0 3 312.388 3.641 20 30 DHEDHN N#CC(C(=O)C=Cc1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000813215958 1027564739 /nfs/dbraw/zinc/56/47/39/1027564739.db2.gz DBDGTWNNUONNIS-UZYOAWRESA-N 0 3 316.282 3.990 20 30 DHEDHN N#Cc1ccc(CN2CCC(c3nc4c(s3)CCC4)CC2)cc1 ZINC000932619672 1027568962 /nfs/dbraw/zinc/56/89/62/1027568962.db2.gz QRRATIUFDSLLRS-UHFFFAOYSA-N 0 3 323.465 3.883 20 30 DHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(OC)CCCC1 ZINC000576314576 1027601269 /nfs/dbraw/zinc/60/12/69/1027601269.db2.gz ZCQZVHSQIHPTFL-UHFFFAOYSA-N 0 3 305.466 3.801 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CC2CCCCC2)CC1 ZINC000577179753 1027721204 /nfs/dbraw/zinc/72/12/04/1027721204.db2.gz JRFFIIRIMHQHMC-INIZCTEOSA-N 0 3 321.509 3.685 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CC[C@H](SC)C1 ZINC000778172335 1027739581 /nfs/dbraw/zinc/73/95/81/1027739581.db2.gz HTHMDOGGEKQLIL-OLZOCXBDSA-N 0 3 309.862 3.726 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCOC2(CCC2)C1 ZINC000778174862 1027740244 /nfs/dbraw/zinc/74/02/44/1027740244.db2.gz ZXMKFWXCGDYVPH-CQSZACIVSA-N 0 3 319.832 3.543 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCCC[C@H]1CCCCO1 ZINC000778176453 1027750316 /nfs/dbraw/zinc/75/03/16/1027750316.db2.gz GBDXLYUWXSDTPF-OAHLLOKOSA-N 0 3 321.848 3.791 20 30 DHEDHN N#Cc1ccc(C2CCN(Cc3cnc4ccccn34)CC2)cc1 ZINC000933609218 1027772267 /nfs/dbraw/zinc/77/22/67/1027772267.db2.gz FXZJDTHRWCKKFU-UHFFFAOYSA-N 0 3 316.408 3.586 20 30 DHEDHN COc1cccc(C[C@H]2CCCN2CC#Cc2ccccc2)c1 ZINC000577454303 1027773133 /nfs/dbraw/zinc/77/31/33/1027773133.db2.gz LOIJZJNIYJNIDT-HXUWFJFHSA-N 0 3 305.421 3.754 20 30 DHEDHN N#Cc1ccc(C2CCN(C[C@H](O)c3cccc(F)c3)CC2)cc1 ZINC000933614075 1027777118 /nfs/dbraw/zinc/77/71/18/1027777118.db2.gz KLVSOOFMKRCEFL-FQEVSTJZSA-N 0 3 324.399 3.610 20 30 DHEDHN COc1cncc(/C=C/CCN(C)Cc2cc(C#N)cs2)c1 ZINC000933770337 1027822844 /nfs/dbraw/zinc/82/28/44/1027822844.db2.gz JGQQQYZCEGINGB-HWKANZROSA-N 0 3 313.426 3.559 20 30 DHEDHN COc1ccccc1[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000365234642 1027908550 /nfs/dbraw/zinc/90/85/50/1027908550.db2.gz OVXJSEVUWUCFRA-INIZCTEOSA-N 0 3 310.372 3.695 20 30 DHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1F ZINC000365271660 1027915085 /nfs/dbraw/zinc/91/50/85/1027915085.db2.gz GZECBZNHCRALPJ-IEBWSBKVSA-N 0 3 310.372 3.565 20 30 DHEDHN CN(CCOc1cccc(C#N)c1)Cc1cccc(Cl)c1 ZINC000048334934 1027996019 /nfs/dbraw/zinc/99/60/19/1027996019.db2.gz XXSHSYLYLABUFT-UHFFFAOYSA-N 0 3 300.789 3.722 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000601288506 1028061308 /nfs/dbraw/zinc/06/13/08/1028061308.db2.gz ZIUHOEUWXNUPCQ-KFNAQCHYSA-N 0 3 310.800 3.575 20 30 DHEDHN CCc1nc([C@@H]2CCCN(CCCCC(C)(C)C#N)C2)no1 ZINC000368436755 1028356619 /nfs/dbraw/zinc/35/66/19/1028356619.db2.gz BFFGHQDSTVOSDF-CQSZACIVSA-N 0 3 304.438 3.531 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000187721428 1028474310 /nfs/dbraw/zinc/47/43/10/1028474310.db2.gz WXXWTASOGSRQOV-LIRRHRJNSA-N 0 3 310.372 3.912 20 30 DHEDHN COCC[C@H](C)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370663054 1028631961 /nfs/dbraw/zinc/63/19/61/1028631961.db2.gz RBXDWBKPXBAKQA-STQMWFEESA-N 0 3 315.442 3.757 20 30 DHEDHN COc1nc2ccccc2cc1CN1CCC(CCC#N)CC1 ZINC000566247968 1028690367 /nfs/dbraw/zinc/69/03/67/1028690367.db2.gz DTZWGEQBJUHENC-UHFFFAOYSA-N 0 3 309.413 3.759 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000371334294 1028693806 /nfs/dbraw/zinc/69/38/06/1028693806.db2.gz DXOOJUSTSWPHJX-HXUWFJFHSA-N 0 3 322.383 3.520 20 30 DHEDHN N#Cc1cc(CN[C@H](c2ccccc2)[C@H]2CCOC2)ccc1F ZINC000371554472 1028731056 /nfs/dbraw/zinc/73/10/56/1028731056.db2.gz QDPDUDLBTQOWMC-QFBILLFUSA-N 0 3 310.372 3.565 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Sc2ccccn2)o1 ZINC000449549352 1028782420 /nfs/dbraw/zinc/78/24/20/1028782420.db2.gz XCLVULCWCLGFBQ-CABCVRRESA-N 0 3 316.426 3.649 20 30 DHEDHN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(C2CC2)cc1 ZINC000567223082 1028859883 /nfs/dbraw/zinc/85/98/83/1028859883.db2.gz AJFHMTHZVIAQQI-AWEZNQCLSA-N 0 3 319.408 3.725 20 30 DHEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000528912111 1028920349 /nfs/dbraw/zinc/92/03/49/1028920349.db2.gz IISDIAUAWUYZCV-QKZHPOIUSA-N 0 3 314.410 3.532 20 30 DHEDHN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567739212 1028943950 /nfs/dbraw/zinc/94/39/50/1028943950.db2.gz FROXCIAALWZGIT-RDTXWAMCSA-N 0 3 321.380 3.844 20 30 DHEDHN N#CC(CCN1CCCOCC1)(c1ccccc1)c1ccccc1 ZINC000373118535 1028956718 /nfs/dbraw/zinc/95/67/18/1028956718.db2.gz SKGDQQTWMGCXGX-UHFFFAOYSA-N 0 3 320.436 3.609 20 30 DHEDHN COc1cccnc1CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000449748583 1028969573 /nfs/dbraw/zinc/96/95/73/1028969573.db2.gz MMPRUTUHVRMUPO-UHFFFAOYSA-N 0 3 321.424 3.584 20 30 DHEDHN C[C@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1C ZINC000816648504 1028972184 /nfs/dbraw/zinc/97/21/84/1028972184.db2.gz LJMSJZIGCQSEMI-HOTGVXAUSA-N 0 3 306.409 3.977 20 30 DHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000007018740 1029033615 /nfs/dbraw/zinc/03/36/15/1029033615.db2.gz ZSPJXYISTHOXMH-QRWLVFNGSA-N 0 3 323.440 3.545 20 30 DHEDHN N#CCCC1CCN(Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000568387278 1029058364 /nfs/dbraw/zinc/05/83/64/1029058364.db2.gz XIANZCTZQHXKEK-UHFFFAOYSA-N 0 3 313.376 3.996 20 30 DHEDHN CC[C@H](CC#N)N[C@H]1CCc2ccc(Br)cc2C1 ZINC001170856509 1029097859 /nfs/dbraw/zinc/09/78/59/1029097859.db2.gz MXXMTVLZSVITIW-CABCVRRESA-N 0 3 307.235 3.588 20 30 DHEDHN N#CC1(CCN2CCCC[C@@H]2[C@@H](O)C(F)(F)F)CCCCC1 ZINC000411420589 1029124044 /nfs/dbraw/zinc/12/40/44/1029124044.db2.gz QQTBVTIJCKKOSC-ZIAGYGMSSA-N 0 3 318.383 3.628 20 30 DHEDHN Cc1cc(C)nc(C2CCN([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000373752291 1029129159 /nfs/dbraw/zinc/12/91/59/1029129159.db2.gz CJKGUOKSECEJJG-MRXNPFEDSA-N 0 3 320.440 3.906 20 30 DHEDHN CCc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000191001632 1029240051 /nfs/dbraw/zinc/24/00/51/1029240051.db2.gz GKFFXUKMQCEASH-OAHLLOKOSA-N 0 3 301.349 3.682 20 30 DHEDHN C#C[C@H]1CCCN([C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170887083 1029336450 /nfs/dbraw/zinc/33/64/50/1029336450.db2.gz SWVAICOLKWQYIX-GUYCJALGSA-N 0 3 318.258 3.652 20 30 DHEDHN C#C[C@@H]1CCCN([C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170887081 1029336572 /nfs/dbraw/zinc/33/65/72/1029336572.db2.gz SWVAICOLKWQYIX-CXAGYDPISA-N 0 3 318.258 3.652 20 30 DHEDHN C=CCOc1ccc(CN2CCC(CCOC)CC2)cc1OC ZINC000529637000 1029471492 /nfs/dbraw/zinc/47/14/92/1029471492.db2.gz LFMAMWCSGUETNS-UHFFFAOYSA-N 0 3 319.445 3.509 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(-c2ccc(Cl)cc2)no1 ZINC000451670891 1029963037 /nfs/dbraw/zinc/96/30/37/1029963037.db2.gz DQCRDRKXXLTJFI-WBVHZDCISA-N 0 3 318.804 3.818 20 30 DHEDHN Cc1ncc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)s1 ZINC000865700980 1029982601 /nfs/dbraw/zinc/98/26/01/1029982601.db2.gz DRTFUXMFXJCQDV-ZDUSSCGKSA-N 0 3 314.458 3.652 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@@]3(CCOC3)C2)cc1 ZINC000451902500 1030055135 /nfs/dbraw/zinc/05/51/35/1030055135.db2.gz OMVDJDNFHXLEDC-QGZVFWFLSA-N 0 3 323.358 3.559 20 30 DHEDHN CC[C@@H]1CC[C@H](C)N(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000451953644 1030078442 /nfs/dbraw/zinc/07/84/42/1030078442.db2.gz KSFCTQKNGXOPGF-UONOGXRCSA-N 0 3 310.401 3.619 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000533234929 1030213916 /nfs/dbraw/zinc/21/39/16/1030213916.db2.gz SJWXWAFLQKRLGA-OWCLPIDISA-N 0 3 320.502 3.629 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](C)C[C@@H](C)C1 ZINC000533234928 1030215281 /nfs/dbraw/zinc/21/52/81/1030215281.db2.gz SJWXWAFLQKRLGA-OAGGEKHMSA-N 0 3 320.502 3.629 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000533299942 1030260758 /nfs/dbraw/zinc/26/07/58/1030260758.db2.gz SNNWXVUAOKIROT-UONOGXRCSA-N 0 3 308.853 3.804 20 30 DHEDHN C[C@H](NCc1cccc2c1CCOC2)c1ccc(OCC#N)cc1 ZINC000866478662 1030312563 /nfs/dbraw/zinc/31/25/63/1030312563.db2.gz KAVKNQQODFENJQ-HNNXBMFYSA-N 0 3 322.408 3.512 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC(C)(C)C ZINC000533416270 1030339294 /nfs/dbraw/zinc/33/92/94/1030339294.db2.gz RVTOVPCJVGPUBU-AWEZNQCLSA-N 0 3 308.491 3.629 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1c(F)cccc1F ZINC000823617756 1030343923 /nfs/dbraw/zinc/34/39/23/1030343923.db2.gz MFJVEABHPLEVEH-YVEFUNNKSA-N 0 3 316.351 3.563 20 30 DHEDHN CC[C@@H](CNCc1ccc(C#N)cc1F)Oc1ccccc1C ZINC000533446169 1030366250 /nfs/dbraw/zinc/36/62/50/1030366250.db2.gz NLVRDJHHQPIUCG-KRWDZBQOSA-N 0 3 312.388 3.953 20 30 DHEDHN C=CCC[C@@H](NCc1ncc(Br)s1)C1CC1 ZINC000866615967 1030405924 /nfs/dbraw/zinc/40/59/24/1030405924.db2.gz KCUIQRKUOOARAS-SNVBAGLBSA-N 0 3 301.253 3.740 20 30 DHEDHN C[C@@H](NC1([C@H]2CCCCO2)CCC1)c1ccc(C#N)cc1F ZINC000866624076 1030410966 /nfs/dbraw/zinc/41/09/66/1030410966.db2.gz ZIDVUQMPDMUXML-CXAGYDPISA-N 0 3 302.393 3.840 20 30 DHEDHN CC[C@@H](NCc1cc2c([nH]c1=O)CCCC2)c1ccc(C#N)cc1 ZINC000866642502 1030418377 /nfs/dbraw/zinc/41/83/77/1030418377.db2.gz MYBULSZOTITTBS-GOSISDBHSA-N 0 3 321.424 3.779 20 30 DHEDHN COc1cc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000558275722 1030511926 /nfs/dbraw/zinc/51/19/26/1030511926.db2.gz MJUXJVLIAYDKFO-FZKQIMNGSA-N 0 3 307.397 3.690 20 30 DHEDHN N=C(Nc1cccc(C2=NCCC2)c1)c1ccc2ccccc2n1 ZINC001171051593 1030523761 /nfs/dbraw/zinc/52/37/61/1030523761.db2.gz OFUQBYNBBXPICW-UHFFFAOYSA-N 0 3 314.392 3.855 20 30 DHEDHN COC(=O)C1(C#N)CCN(CC[C@@H](C)CCC=C(C)C)CC1 ZINC000824872026 1030668492 /nfs/dbraw/zinc/66/84/92/1030668492.db2.gz NKVNZDIOSHRRJI-INIZCTEOSA-N 0 3 306.450 3.538 20 30 DHEDHN Cc1noc(C[C@@H](N[C@H](C)CC(C)(C)C#N)c2ccccc2)n1 ZINC000926285778 1030688199 /nfs/dbraw/zinc/68/81/99/1030688199.db2.gz VMPXMQVEDCDFNO-CZUORRHYSA-N 0 3 312.417 3.580 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H]1c1ccc(C)s1 ZINC000359095496 1030774474 /nfs/dbraw/zinc/77/44/74/1030774474.db2.gz MOUHJEZPPBDPLG-HZPDHXFCSA-N 0 3 318.486 3.783 20 30 DHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(C)(C)O)cc1 ZINC000926550835 1030794923 /nfs/dbraw/zinc/79/49/23/1030794923.db2.gz PFGWDWOQXZKSLU-ZDUSSCGKSA-N 0 3 312.388 3.776 20 30 DHEDHN N#CC1(CN[C@H](Cc2ccccc2)Cc2cccnc2)CCC1 ZINC000926627826 1030829888 /nfs/dbraw/zinc/82/98/88/1030829888.db2.gz RAYZPDSSDJFHRW-LJQANCHMSA-N 0 3 305.425 3.519 20 30 DHEDHN COc1cc(CN2CCC(CC#N)CC2)ccc1C(F)(F)F ZINC001143350257 1030840658 /nfs/dbraw/zinc/84/06/58/1030840658.db2.gz FFSFJRFNKGRYCD-UHFFFAOYSA-N 0 3 312.335 3.840 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000926781425 1030922412 /nfs/dbraw/zinc/92/24/12/1030922412.db2.gz WFLCIFAQIUTXHN-RISCZKNCSA-N 0 3 314.351 3.657 20 30 DHEDHN C=CC[C@H](C)[C@H](C)NC1(c2ncc(Br)cn2)CCC1 ZINC000927146387 1031119897 /nfs/dbraw/zinc/11/98/97/1031119897.db2.gz WGGVOCQYTNMHBP-RYUDHWBXSA-N 0 3 324.266 3.809 20 30 DHEDHN Cc1nc(NC[C@@H](C)N2CCCC[C@H]2C)c(Cl)cc1C#N ZINC000359907692 1031190616 /nfs/dbraw/zinc/19/06/16/1031190616.db2.gz XAKSAYOYKDJGTQ-VXGBXAGGSA-N 0 3 306.841 3.590 20 30 DHEDHN C=C(C)CN(CC)Cc1ccc(OC)cc1OC(F)(F)F ZINC001144055599 1031218792 /nfs/dbraw/zinc/21/87/92/1031218792.db2.gz HJGFKYBGEZWEHQ-UHFFFAOYSA-N 0 3 303.324 3.992 20 30 DHEDHN N#Cc1cncc(CN(CCCCCCO)Cc2ccccc2)c1 ZINC001144084589 1031234920 /nfs/dbraw/zinc/23/49/20/1031234920.db2.gz HUQCFANOWVOPCV-UHFFFAOYSA-N 0 3 323.440 3.508 20 30 DHEDHN C=CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000797005581 1031241247 /nfs/dbraw/zinc/24/12/47/1031241247.db2.gz DDBZSGGJISBCSM-CYBMUJFWSA-N 0 3 301.361 3.947 20 30 DHEDHN CC[C@@H](NCc1ccc(CC#N)cc1)C(=O)Nc1ccc(C)cc1 ZINC000871888027 1031376812 /nfs/dbraw/zinc/37/68/12/1031376812.db2.gz KRWJEJNZZFYAHN-LJQANCHMSA-N 0 3 321.424 3.568 20 30 DHEDHN C=CC(C)(C)CCNCc1nc(C)c(Br)s1 ZINC000719292381 1031444406 /nfs/dbraw/zinc/44/44/06/1031444406.db2.gz KWUJSPBKFOYLBS-UHFFFAOYSA-N 0 3 303.269 3.906 20 30 DHEDHN C=C(CC)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000536905646 1031472443 /nfs/dbraw/zinc/47/24/43/1031472443.db2.gz PLSKNOYHWDLMPE-UHFFFAOYSA-N 0 3 322.836 3.662 20 30 DHEDHN C=CCNC(=O)CN[C@H](CC1CCCCC1)c1ccccc1 ZINC000537054034 1031497121 /nfs/dbraw/zinc/49/71/21/1031497121.db2.gz MZWSGGUXXQTAJM-GOSISDBHSA-N 0 3 300.446 3.590 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](CO)c1ccc(F)cc1 ZINC000360665441 1031511149 /nfs/dbraw/zinc/51/11/49/1031511149.db2.gz XMCVFMLITWWFGB-WOJBJXKFSA-N 0 3 324.399 3.788 20 30 DHEDHN Cc1ccccc1[C@H](NCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000537288968 1031566383 /nfs/dbraw/zinc/56/63/83/1031566383.db2.gz BJRCCRWMSAABHH-HXUWFJFHSA-N 0 3 319.408 3.546 20 30 DHEDHN C=CCCC[C@@H](C)N[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000537319120 1031571083 /nfs/dbraw/zinc/57/10/83/1031571083.db2.gz VFYBLDXQANNYSQ-SJLPKXTDSA-N 0 3 302.462 3.931 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000845436847 1031582796 /nfs/dbraw/zinc/58/27/96/1031582796.db2.gz MMLPEQOFJUWSLZ-SOUVJXGZSA-N 0 3 307.397 3.576 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cc(-c2ccccc2)on1 ZINC001171185295 1031590859 /nfs/dbraw/zinc/59/08/59/1031590859.db2.gz QGKDOLJXFAVOJG-OAHLLOKOSA-N 0 3 317.392 3.934 20 30 DHEDHN Cc1cc2nccn2cc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171185304 1031597473 /nfs/dbraw/zinc/59/74/73/1031597473.db2.gz URVOOSMTXFEPIV-UHFFFAOYSA-N 0 3 316.364 3.539 20 30 DHEDHN Cc1nn(C)cc1[C@H]1CCCN1Cc1c(C)cc(C#N)cc1C ZINC000929835102 1031620239 /nfs/dbraw/zinc/62/02/39/1031620239.db2.gz POSMZYKFBGUCSN-LJQANCHMSA-N 0 3 308.429 3.554 20 30 DHEDHN COc1cccc(OC)c1[C@H](C)N[C@H](C)Cc1cccc(C#N)c1 ZINC001171192090 1031643527 /nfs/dbraw/zinc/64/35/27/1031643527.db2.gz KGXLVNHEQKXYLG-CABCVRRESA-N 0 3 324.424 3.857 20 30 DHEDHN N#Cc1ccc(CNC[C@H](O)c2ccc3ccccc3c2)c(F)c1 ZINC000772930515 1031695445 /nfs/dbraw/zinc/69/54/45/1031695445.db2.gz XVYKTMYGZQFFQD-FQEVSTJZSA-N 0 3 320.367 3.674 20 30 DHEDHN C#Cc1ccc(CN(CCCC(=O)OC)Cc2ccccc2)cc1 ZINC001144568395 1031722306 /nfs/dbraw/zinc/72/23/06/1031722306.db2.gz UBMQZTGWVVWCFH-UHFFFAOYSA-N 0 3 321.420 3.623 20 30 DHEDHN CC(C)(C#N)c1ccc(CNCc2ccc3oc(=O)[nH]c3c2)cc1 ZINC000873173707 1031740480 /nfs/dbraw/zinc/74/04/80/1031740480.db2.gz ZGHFZRUJSXRUGQ-UHFFFAOYSA-N 0 3 321.380 3.624 20 30 DHEDHN C#CCCCCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845880680 1031751346 /nfs/dbraw/zinc/75/13/46/1031751346.db2.gz XSZNPAZDXLLMOR-GUYCJALGSA-N 0 3 321.348 3.659 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(-c2cnn(C)c2)c1 ZINC000361152663 1031758619 /nfs/dbraw/zinc/75/86/19/1031758619.db2.gz DCUGCCXGMRKDQL-UHFFFAOYSA-N 0 3 316.408 3.591 20 30 DHEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000026470143 1031768453 /nfs/dbraw/zinc/76/84/53/1031768453.db2.gz DWUWWTURGVNOJM-DOMZBBRYSA-N 0 3 319.836 3.661 20 30 DHEDHN C[C@]1(Cc2cccc(F)c2)CCCN1Cc1cncc(C#N)c1 ZINC000930812907 1031957618 /nfs/dbraw/zinc/95/76/18/1031957618.db2.gz VRNPMHNDMVTIEI-LJQANCHMSA-N 0 3 309.388 3.690 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@@H]1COCc1ccccc1 ZINC001171221314 1031959105 /nfs/dbraw/zinc/95/91/05/1031959105.db2.gz KNKSGHJEMXIYSK-LAUBAEHRSA-N 0 3 320.436 3.780 20 30 DHEDHN C[C@@H](NC[C@H](O)CC#N)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000930967471 1031995572 /nfs/dbraw/zinc/99/55/72/1031995572.db2.gz JNJOZBIJNJQPQQ-GPMSIDNRSA-N 0 3 324.424 3.752 20 30 DHEDHN C[C@@H](NC[C@H](O)CC#N)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000930967472 1031996200 /nfs/dbraw/zinc/99/62/00/1031996200.db2.gz JNJOZBIJNJQPQQ-JTDSTZFVSA-N 0 3 324.424 3.752 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCOC[C@H]1C1CCCCC1 ZINC001171231674 1032001705 /nfs/dbraw/zinc/00/17/05/1032001705.db2.gz KQDXQCSVIUWSPX-UZLBHIALSA-N 0 3 312.457 3.770 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCC(=O)[C@@H](C)C12CCCC2 ZINC001171231713 1032002135 /nfs/dbraw/zinc/00/21/35/1032002135.db2.gz LIQMBHOONVILPR-HZPDHXFCSA-N 0 3 310.441 3.713 20 30 DHEDHN C#C[C@H](N[C@H](C)CC[P@@](C)(=O)OCC)c1ccc(F)cc1 ZINC000877544309 1033346091 /nfs/dbraw/zinc/34/60/91/1033346091.db2.gz OCOJSCDUGCZMOP-QTPGKHNVSA-N 0 3 311.337 3.813 20 30 DHEDHN C[C@H](Cc1ccccc1Br)NCc1ccc(C#N)o1 ZINC000151192095 1033426105 /nfs/dbraw/zinc/42/61/05/1033426105.db2.gz ZEZJAGFUXWVAKN-LLVKDONJSA-N 0 3 319.202 3.635 20 30 DHEDHN C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccc1[O-] ZINC000877756481 1033434211 /nfs/dbraw/zinc/43/42/11/1033434211.db2.gz LJRUKEXMANBQLR-OAHLLOKOSA-N 0 3 309.413 3.593 20 30 DHEDHN C=CCN(Cc1ccccc1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000877917046 1033514334 /nfs/dbraw/zinc/51/43/34/1033514334.db2.gz NMMYWRMTKPIYSQ-IBGZPJMESA-N 0 3 315.457 3.650 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1CC[C@H](c2ccco2)C1)c1ccccc1 ZINC000878094757 1033578528 /nfs/dbraw/zinc/57/85/28/1033578528.db2.gz YDPLODZJHIPXAM-PXNSSMCTSA-N 0 3 322.408 3.510 20 30 DHEDHN CCC[C@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878186195 1033613605 /nfs/dbraw/zinc/61/36/05/1033613605.db2.gz HBBALHGZPCBTSL-AZUAARDMSA-N 0 3 312.457 3.939 20 30 DHEDHN C=CCOC1CCC(N2CCOC[C@@H]2c2ccccc2)CC1 ZINC001173321815 1033686631 /nfs/dbraw/zinc/68/66/31/1033686631.db2.gz PYUKBEWXQUARMK-CTWPCTMYSA-N 0 3 301.430 3.574 20 30 DHEDHN C=CCOC1CCC(NCc2nccc(Cl)c2Cl)CC1 ZINC001173315964 1033709541 /nfs/dbraw/zinc/70/95/41/1033709541.db2.gz CXJOAOZHKVCPSZ-UHFFFAOYSA-N 0 3 315.244 3.992 20 30 DHEDHN C=CCN(C)Cc1ccc(OC(=O)c2cccs2)c(OC)c1 ZINC001137258295 1033750089 /nfs/dbraw/zinc/75/00/89/1033750089.db2.gz HEIZVHIELDJPAT-UHFFFAOYSA-N 0 3 317.410 3.594 20 30 DHEDHN CC1(C#N)CCC(N[C@@H]2CCOc3cc(F)cc(F)c32)CC1 ZINC001173591308 1033781964 /nfs/dbraw/zinc/78/19/64/1033781964.db2.gz YFBJCKQJDACEBX-KDJCLPLCSA-N 0 3 306.356 3.850 20 30 DHEDHN C=CCC1(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CCC1 ZINC000479628797 1033837549 /nfs/dbraw/zinc/83/75/49/1033837549.db2.gz YMYHVEXWADPBJR-FUHWJXTLSA-N 0 3 312.457 3.685 20 30 DHEDHN COCC1(N(C)Cc2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000880184697 1034234717 /nfs/dbraw/zinc/23/47/17/1034234717.db2.gz PSYRBBJLDXVFOG-UHFFFAOYSA-N 0 3 312.335 3.578 20 30 DHEDHN CC(C)[C@H](NCc1cccc(C#N)c1F)[C@H](O)c1ccccc1 ZINC000794614594 1034315318 /nfs/dbraw/zinc/31/53/18/1034315318.db2.gz RWTHPLQQVBVYSO-RBUKOAKNSA-N 0 3 312.388 3.545 20 30 DHEDHN COc1cc(NC2=CCCN(Cc3ccccc3)C2)ccc1C#N ZINC001174394861 1034316860 /nfs/dbraw/zinc/31/68/60/1034316860.db2.gz OSHCDPKHOQXONO-UHFFFAOYSA-N 0 3 319.408 3.769 20 30 DHEDHN CNc1ccc(C#N)cc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174395153 1034317814 /nfs/dbraw/zinc/31/78/14/1034317814.db2.gz SGUYTUOGJNSXCL-UHFFFAOYSA-N 0 3 318.424 3.802 20 30 DHEDHN C=CCCC[C@@H](NCC(=O)Nc1cc(C)on1)c1ccccc1 ZINC000880388538 1034321540 /nfs/dbraw/zinc/32/15/40/1034321540.db2.gz LIVNQHQJXMTUAJ-MRXNPFEDSA-N 0 3 313.401 3.609 20 30 DHEDHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1Br ZINC000481116943 1034591160 /nfs/dbraw/zinc/59/11/60/1034591160.db2.gz MXJKVPDELXQQCW-SMDDNHRTSA-N 0 3 307.235 3.941 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2cccc(C)n2)c([O-])c1 ZINC000794835229 1034594863 /nfs/dbraw/zinc/59/48/63/1034594863.db2.gz WHBJPYHIJCPLCP-XSFVSMFZSA-N 0 3 311.429 3.603 20 30 DHEDHN N#CCc1ccccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000555526006 1034771180 /nfs/dbraw/zinc/77/11/80/1034771180.db2.gz LAPSVHPAHBIGMA-UHFFFAOYSA-N 0 3 319.408 3.601 20 30 DHEDHN CC[C@@H](CC#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842342153 1034930214 /nfs/dbraw/zinc/93/02/14/1034930214.db2.gz HBDUGFCJZBRYNL-KRWDZBQOSA-N 0 3 300.402 3.522 20 30 DHEDHN N#Cc1cccc(OCCCN2Cc3ccccc3C3(CC3)C2)c1 ZINC000481742364 1034960085 /nfs/dbraw/zinc/96/00/85/1034960085.db2.gz YGAYTJBPNBFACO-UHFFFAOYSA-N 0 3 318.420 3.875 20 30 DHEDHN N#Cc1cccc(NC2=CCN(Cc3ccccc3)CC2)c1F ZINC001175505511 1035016319 /nfs/dbraw/zinc/01/63/19/1035016319.db2.gz GGBSRUCQJAHFDZ-UHFFFAOYSA-N 0 3 307.372 3.899 20 30 DHEDHN COc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1C#N ZINC001175505824 1035017887 /nfs/dbraw/zinc/01/78/87/1035017887.db2.gz ISSMSHMEUXEJHJ-UHFFFAOYSA-N 0 3 319.408 3.769 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2occc2C)cc1 ZINC000128629455 1035050931 /nfs/dbraw/zinc/05/09/31/1035050931.db2.gz HBCRKDVDMXZJNC-MRXNPFEDSA-N 0 3 324.380 3.892 20 30 DHEDHN CCN1CCN(c2ccc(Nc3cc(F)cc(C#N)c3)cc2)CC1 ZINC001175685196 1035084630 /nfs/dbraw/zinc/08/46/30/1035084630.db2.gz LBJSZXPIBJYJSK-UHFFFAOYSA-N 0 3 324.403 3.583 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(F)c(F)c2)n1 ZINC000160119368 1035138325 /nfs/dbraw/zinc/13/83/25/1035138325.db2.gz WVIWQRFQSJEMMQ-JTQLQIEISA-N 0 3 321.352 3.791 20 30 DHEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccco1 ZINC000160172679 1035144802 /nfs/dbraw/zinc/14/48/02/1035144802.db2.gz FHWGXTOXFLVKGW-DZGCQCFKSA-N 0 3 313.376 3.610 20 30 DHEDHN C=C(C)COc1cc(CN2CCSCC[C@H]2C)ccc1OC ZINC000483419304 1035267075 /nfs/dbraw/zinc/26/70/75/1035267075.db2.gz HXEKNPMTJHDTGI-OAHLLOKOSA-N 0 3 321.486 3.978 20 30 DHEDHN C#CCN(C[C@@H]1CC[C@@H](C2CC2)O1)[C@H]1CCCc2ccccc21 ZINC001176452370 1035271212 /nfs/dbraw/zinc/27/12/12/1035271212.db2.gz KDVNRQAOVZLFMF-JBACZVJFSA-N 0 3 309.453 3.957 20 30 DHEDHN CN(C)c1cccc([C@H]2CCCN2CC#Cc2ccccc2)c1 ZINC000483962785 1035310525 /nfs/dbraw/zinc/31/05/25/1035310525.db2.gz PIKRFTKKPSJWDA-OAQYLSRUSA-N 0 3 304.437 3.941 20 30 DHEDHN CC[C@@](C)(O)CN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000483978074 1035311621 /nfs/dbraw/zinc/31/16/21/1035311621.db2.gz ALEHEYOSAFWGOI-OAQYLSRUSA-N 0 3 307.437 3.701 20 30 DHEDHN CCCSCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000128899186 1035335575 /nfs/dbraw/zinc/33/55/75/1035335575.db2.gz MOBXVJKAQUYNMF-GFCCVEGCSA-N 0 3 317.439 3.525 20 30 DHEDHN C#CCOc1ccccc1CNC/C=C/c1ccc(F)c(F)c1 ZINC001177880030 1035399772 /nfs/dbraw/zinc/39/97/72/1035399772.db2.gz BMYWQZYQRFQPAZ-AATRIKPKSA-N 0 3 313.347 3.780 20 30 DHEDHN CC[C@H](CNCc1csc(C#N)c1)Oc1ccccc1F ZINC001177948014 1035402400 /nfs/dbraw/zinc/40/24/00/1035402400.db2.gz DFIFQOICHWSGJS-CYBMUJFWSA-N 0 3 304.390 3.706 20 30 DHEDHN C=CCN(CC(=O)N(C)Cc1cccs1)CC1CCCCC1 ZINC000484994479 1035450619 /nfs/dbraw/zinc/45/06/19/1035450619.db2.gz JMKMEDSLKYVMCF-UHFFFAOYSA-N 0 3 320.502 3.775 20 30 DHEDHN CS[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000773772917 1035451194 /nfs/dbraw/zinc/45/11/94/1035451194.db2.gz XSILKSBFZQLWPT-WDEREUQCSA-N 0 3 324.833 3.519 20 30 DHEDHN Cc1ccc(CNCc2ccc(C#N)s2)c(-c2cnn(C)c2)c1 ZINC001178977018 1035455269 /nfs/dbraw/zinc/45/52/69/1035455269.db2.gz FOSMRYLYBIQVAN-UHFFFAOYSA-N 0 3 322.437 3.619 20 30 DHEDHN C[NH+](C)CC[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1cccnc1 ZINC000905003219 1035474581 /nfs/dbraw/zinc/47/45/81/1035474581.db2.gz PRMVCJAQKKJLJO-SDLDRHLBSA-N 0 3 317.820 3.553 20 30 DHEDHN C#C[C@H](N[C@@H](C)c1cccc(-c2ccncc2)c1)[C@@H]1CCCO1 ZINC000775572890 1035572509 /nfs/dbraw/zinc/57/25/09/1035572509.db2.gz UQYAGVQTMIWPTH-YSSFQJQWSA-N 0 3 306.409 3.580 20 30 DHEDHN C#Cc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC001180178363 1035607719 /nfs/dbraw/zinc/60/77/19/1035607719.db2.gz VQNPWJODVUVITF-UHFFFAOYSA-N 0 3 308.381 3.987 20 30 DHEDHN C=CCC[C@H](O)CN(CCC(F)(F)F)Cc1ccccc1 ZINC000191244775 1035672567 /nfs/dbraw/zinc/67/25/67/1035672567.db2.gz XDTHGDKNMQCWSZ-HNNXBMFYSA-N 0 3 301.352 3.768 20 30 DHEDHN COc1cc(CN2CC[C@@H](c3cccc(F)c3)C2)ccc1C#N ZINC000442882817 1035694070 /nfs/dbraw/zinc/69/40/70/1035694070.db2.gz FZZFXCMPUQVBIH-QGZVFWFLSA-N 0 3 310.372 3.695 20 30 DHEDHN C=CCN(C)C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000494637731 1035754216 /nfs/dbraw/zinc/75/42/16/1035754216.db2.gz MWUTUCGLMZYANF-AWEZNQCLSA-N 0 3 311.853 3.629 20 30 DHEDHN CN(C)Cc1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000539784520 1035854152 /nfs/dbraw/zinc/85/41/52/1035854152.db2.gz UGBHVAHGXMFXTQ-UHFFFAOYSA-N 0 3 313.788 3.526 20 30 DHEDHN C=C(CC)CN1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001194165741 1035856544 /nfs/dbraw/zinc/85/65/44/1035856544.db2.gz VAHNVNHTCSCWCA-IAGOWNOFSA-N 0 3 308.466 3.676 20 30 DHEDHN C=CCCC[C@@H](C)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000540297929 1036031706 /nfs/dbraw/zinc/03/17/06/1036031706.db2.gz SVBCVYKANLPKOQ-PBHICJAKSA-N 0 3 304.409 3.608 20 30 DHEDHN CCN(CC)[C@@H](C/N=C/c1cccc(O)c1O)c1ccsc1 ZINC000032070397 1036075977 /nfs/dbraw/zinc/07/59/77/1036075977.db2.gz KSIIRCHBCGDMOY-ZNBBLSJYSA-N 0 3 318.442 3.661 20 30 DHEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccns1 ZINC000924809941 1036077339 /nfs/dbraw/zinc/07/73/39/1036077339.db2.gz GEENERHRJDLFMB-LBPRGKRZSA-N 0 3 303.456 3.599 20 30 DHEDHN CSC[C@@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000486797125 1036411315 /nfs/dbraw/zinc/41/13/15/1036411315.db2.gz DEZPXTSCRXJUFO-HNNXBMFYSA-N 0 3 313.388 3.884 20 30 DHEDHN Cc1cccc(OCCCNCc2ccc(C#N)cc2F)c1C ZINC000486813730 1036419894 /nfs/dbraw/zinc/41/98/94/1036419894.db2.gz FFVGRVZLFFENPO-UHFFFAOYSA-N 0 3 312.388 3.873 20 30 DHEDHN COc1ccc(CN2CCC(CC#N)CC2)cc1OCC(C)C ZINC000541919048 1036461074 /nfs/dbraw/zinc/46/10/74/1036461074.db2.gz FSARNVSZWFUXAA-UHFFFAOYSA-N 0 3 316.445 3.856 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1c(C)cc(OC)nc1C ZINC000541926971 1036463493 /nfs/dbraw/zinc/46/34/93/1036463493.db2.gz QNOUZXQRNLMSGQ-UHFFFAOYSA-N 0 3 323.440 3.991 20 30 DHEDHN Cc1cccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1O ZINC000775735822 1036589289 /nfs/dbraw/zinc/58/92/89/1036589289.db2.gz ZCIXVEUWWFQYOT-RBUKOAKNSA-N 0 3 306.409 3.972 20 30 DHEDHN Cc1cccc([C@@H](NCC(=O)Nc2ccc(C#N)cc2)C(C)C)c1 ZINC001196782090 1036619806 /nfs/dbraw/zinc/61/98/06/1036619806.db2.gz MCACKFHUOMNQLN-FQEVSTJZSA-N 0 3 321.424 3.792 20 30 DHEDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271947734 1036730972 /nfs/dbraw/zinc/73/09/72/1036730972.db2.gz NUCBIMCIVJXLGK-LBPRGKRZSA-N 0 3 315.367 3.753 20 30 DHEDHN Cc1cc(CN(C)C)cc(NC(=O)/C=C/c2ccc(C#N)cc2)c1 ZINC000492246696 1036797988 /nfs/dbraw/zinc/79/79/88/1036797988.db2.gz GNGOTSMVBRQUPN-CMDGGOBGSA-N 0 3 319.408 3.580 20 30 DHEDHN CCCN(Cc1cc(C#N)ccc1Br)CC1CC1 ZINC000492418620 1036862259 /nfs/dbraw/zinc/86/22/59/1036862259.db2.gz RYLCQKUIFCOMHT-UHFFFAOYSA-N 0 3 307.235 3.943 20 30 DHEDHN Cc1cc(CNCc2ccc(OC(F)F)cc2)ccc1C#N ZINC000443969263 1036947575 /nfs/dbraw/zinc/94/75/75/1036947575.db2.gz GNCZBZLBGKOFKB-UHFFFAOYSA-N 0 3 302.324 3.758 20 30 DHEDHN C=C(C)CN1CCC(Nc2nc3cccc(F)c3s2)CC1 ZINC001185272789 1037086851 /nfs/dbraw/zinc/08/68/51/1037086851.db2.gz JOKSCDZILMDDAH-UHFFFAOYSA-N 0 3 305.422 3.888 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 ZINC000193702742 1037117081 /nfs/dbraw/zinc/11/70/81/1037117081.db2.gz IPAJNEGHJIEVBF-CQSZACIVSA-N 0 3 308.381 3.570 20 30 DHEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H](c1ccccc1C)C(C)C ZINC000488774140 1037132356 /nfs/dbraw/zinc/13/23/56/1037132356.db2.gz ZVISXWGROUXNTI-HXUWFJFHSA-N 0 3 314.473 3.825 20 30 DHEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000911962619 1037259988 /nfs/dbraw/zinc/25/99/88/1037259988.db2.gz DGDGFQFQWBZJJP-NSHDSACASA-N 0 3 318.751 3.564 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000912054498 1037280979 /nfs/dbraw/zinc/28/09/79/1037280979.db2.gz RMRPFSCJCVYKQM-SMDDNHRTSA-N 0 3 314.351 3.566 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000912054466 1037281434 /nfs/dbraw/zinc/28/14/34/1037281434.db2.gz RMRPFSCJCVYKQM-BXUZGUMPSA-N 0 3 314.351 3.566 20 30 DHEDHN C#CCOc1ccc(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776016214 1037313232 /nfs/dbraw/zinc/31/32/32/1037313232.db2.gz ZNWZNQVZCAZUPQ-BBRMVZONSA-N 0 3 311.347 3.861 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(C)c(OC)c2)c1 ZINC000774992093 1037351318 /nfs/dbraw/zinc/35/13/18/1037351318.db2.gz LPZNLJWBAHJZFA-GOSISDBHSA-N 0 3 324.424 3.974 20 30 DHEDHN C#CCOc1ccccc1CNC[C@H](OCC)c1ccccc1 ZINC000775029267 1037434235 /nfs/dbraw/zinc/43/42/35/1037434235.db2.gz YYRKDCWLRXCFIB-FQEVSTJZSA-N 0 3 309.409 3.566 20 30 DHEDHN CCCCCCCCN1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001201813621 1037899563 /nfs/dbraw/zinc/89/95/63/1037899563.db2.gz HJRAFQZGPUANQF-QGZVFWFLSA-N 0 3 307.482 3.716 20 30 DHEDHN C=CCc1cc(OC)cc(CN(C)Cc2cccc(C#N)c2)c1O ZINC000163969230 1038031716 /nfs/dbraw/zinc/03/17/16/1038031716.db2.gz UFMYPKIHEJCYJX-UHFFFAOYSA-N 0 3 322.408 3.633 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccc(C)o1 ZINC000916904291 1038041538 /nfs/dbraw/zinc/04/15/38/1038041538.db2.gz ZSBWGJBRVDDTID-HNNXBMFYSA-N 0 3 324.380 3.674 20 30 DHEDHN CCC[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917104731 1038210458 /nfs/dbraw/zinc/21/04/58/1038210458.db2.gz TZCKORZQPDYNJC-QWHCGFSZSA-N 0 3 315.442 3.593 20 30 DHEDHN C#Cc1ccc(NC(=O)CCN(Cc2ccc(C)o2)C2CC2)cc1 ZINC001190374548 1038307509 /nfs/dbraw/zinc/30/75/09/1038307509.db2.gz LDNKMQMSWLJVFE-UHFFFAOYSA-N 0 3 322.408 3.563 20 30 DHEDHN CCCCCCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC001191081939 1038434628 /nfs/dbraw/zinc/43/46/28/1038434628.db2.gz JIFRFAPQNWUKQC-UHFFFAOYSA-N 0 3 319.493 3.730 20 30 DHEDHN N#Cc1cccc([C@H](O)CN2CCC(c3ccccc3F)CC2)c1 ZINC001191099806 1038438720 /nfs/dbraw/zinc/43/87/20/1038438720.db2.gz OTFZINSHUOLFQR-HXUWFJFHSA-N 0 3 324.399 3.610 20 30 DHEDHN C=C(Br)CN[C@H](c1ccccc1)C1CCOCC1 ZINC000775437383 1038442207 /nfs/dbraw/zinc/44/22/07/1038442207.db2.gz ATVZQXUPNWTGIT-OAHLLOKOSA-N 0 3 310.235 3.653 20 30 DHEDHN C[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)C(F)(F)F ZINC000589317912 1038463258 /nfs/dbraw/zinc/46/32/58/1038463258.db2.gz VGROLIBKZLXTJZ-QMMMGPOBSA-N 0 3 310.241 3.865 20 30 DHEDHN C#CCCCCCCN1CCN(c2ccc3ccccc3n2)CC1 ZINC001191602379 1038524463 /nfs/dbraw/zinc/52/44/63/1038524463.db2.gz ZTGIDECKTKUHTK-UHFFFAOYSA-N 0 3 321.468 3.941 20 30 DHEDHN CN(C)c1ccc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000590069181 1038581939 /nfs/dbraw/zinc/58/19/39/1038581939.db2.gz HPSJPJBGJFPCDY-GOSISDBHSA-N 0 3 308.429 3.672 20 30 DHEDHN C=CCOc1ccc(CN(CC2=NOCC2)C(C)(C)C)cc1 ZINC001192052354 1038585434 /nfs/dbraw/zinc/58/54/34/1038585434.db2.gz DLXLVMWXAGCDJN-UHFFFAOYSA-N 0 3 302.418 3.628 20 30 DHEDHN CC(C)c1ccccc1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001192234585 1038614533 /nfs/dbraw/zinc/61/45/33/1038614533.db2.gz GVTAJAAUFDMVPY-HNNXBMFYSA-N 0 3 316.426 3.616 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc2sccc2c1 ZINC001192466790 1038654852 /nfs/dbraw/zinc/65/48/52/1038654852.db2.gz BFUOBQGJPHAEPJ-HNNXBMFYSA-N 0 3 315.442 3.673 20 30 DHEDHN CC[C@H](NC[C@@H](O)c1cccc(C#N)c1)c1cc(F)ccc1F ZINC001192689002 1038692117 /nfs/dbraw/zinc/69/21/17/1038692117.db2.gz AEMHJBYZOZSDRG-ZWKOTPCHSA-N 0 3 316.351 3.611 20 30 DHEDHN Cc1cc(F)ccc1[C@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000775550892 1038707758 /nfs/dbraw/zinc/70/77/58/1038707758.db2.gz OTWGPMRIURVBGC-RBUKOAKNSA-N 0 3 312.388 3.802 20 30 DHEDHN N#Cc1ccc(C2=CCN(CCOCC3CCCC3)CC2)cc1 ZINC001192946420 1038718508 /nfs/dbraw/zinc/71/85/08/1038718508.db2.gz JKOVNSABZKSMKC-UHFFFAOYSA-N 0 3 310.441 3.854 20 30 DHEDHN CCCCCCC[C@H](C)NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001192926588 1038722138 /nfs/dbraw/zinc/72/21/38/1038722138.db2.gz JIUOJCXYNQQVDG-ZFWWWQNUSA-N 0 3 324.490 3.719 20 30 DHEDHN Cc1cccc2c1C[C@H](N[C@H](C)c1ccc(C#N)cc1F)CO2 ZINC000599064181 1039019378 /nfs/dbraw/zinc/01/93/78/1039019378.db2.gz KSCROFIACGAQLZ-HIFRSBDPSA-N 0 3 310.372 3.660 20 30 DHEDHN CCN(CC)[C@H](CNC(=O)C(C#N)(CC)CC)c1ccsc1 ZINC000599065109 1039041627 /nfs/dbraw/zinc/04/16/27/1039041627.db2.gz OBSPXENGLDIKPI-OAHLLOKOSA-N 0 3 321.490 3.577 20 30 DHEDHN C=CCN(CCCCC(=O)OC)Cc1ccc(Cl)s1 ZINC000599253385 1039102661 /nfs/dbraw/zinc/10/26/61/1039102661.db2.gz JVZMCDQFRZCJQI-UHFFFAOYSA-N 0 3 301.839 3.733 20 30 DHEDHN CC[C@H](NCc1ccc(C)c(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000599350390 1039127938 /nfs/dbraw/zinc/12/79/38/1039127938.db2.gz WWIYKVPCAAQFLM-SFHVURJKSA-N 0 3 322.408 3.879 20 30 DHEDHN N#Cc1ccc(-c2nnc(CN3CCCC[C@@H]3C3CCC3)o2)cc1 ZINC000592198230 1039181914 /nfs/dbraw/zinc/18/19/14/1039181914.db2.gz LFZRMKHNESXGKH-QGZVFWFLSA-N 0 3 322.412 3.763 20 30 DHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)s1 ZINC000592530810 1039223399 /nfs/dbraw/zinc/22/33/99/1039223399.db2.gz VIWJRJAZOPQAIK-GOSISDBHSA-N 0 3 324.449 3.779 20 30 DHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)s1 ZINC000592530812 1039225009 /nfs/dbraw/zinc/22/50/09/1039225009.db2.gz VIWJRJAZOPQAIK-SFHVURJKSA-N 0 3 324.449 3.779 20 30 DHEDHN C[C@H](O)c1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000171246521 1039399150 /nfs/dbraw/zinc/39/91/50/1039399150.db2.gz MCIIOWXRPNVTTH-INIZCTEOSA-N 0 3 324.424 3.712 20 30 DHEDHN C[C@@H](Cc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000171928346 1039670491 /nfs/dbraw/zinc/67/04/91/1039670491.db2.gz WGTRYECKUPPBJA-DZGCQCFKSA-N 0 3 304.349 3.883 20 30 DHEDHN C#CCOc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000172116921 1039742860 /nfs/dbraw/zinc/74/28/60/1039742860.db2.gz BKZONHINIYPZJE-LEWJYISDSA-N 0 3 321.420 3.709 20 30 DHEDHN C=CCN(CC=C)C(=O)CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000594397455 1039771043 /nfs/dbraw/zinc/77/10/43/1039771043.db2.gz SEVMUFADMSLINK-UHFFFAOYSA-N 0 3 314.473 3.835 20 30 DHEDHN CC(C)c1ccc(C(C)(C)NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594433848 1039782813 /nfs/dbraw/zinc/78/28/13/1039782813.db2.gz ICCFLYUSKGSAFV-KRWDZBQOSA-N 0 3 315.461 3.573 20 30 DHEDHN CC(C)Sc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594446224 1039784409 /nfs/dbraw/zinc/78/44/09/1039784409.db2.gz RIPGQILWDRHJMM-CYBMUJFWSA-N 0 3 305.447 3.537 20 30 DHEDHN CC(C)[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1Cl ZINC000594442978 1039785132 /nfs/dbraw/zinc/78/51/32/1039785132.db2.gz DUWHDGIJIBLTNL-JKSUJKDBSA-N 0 3 321.852 3.565 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1-c1ccccc1 ZINC000594426369 1039791402 /nfs/dbraw/zinc/79/14/02/1039791402.db2.gz OQRPTLONGVHYQY-KRWDZBQOSA-N 0 3 307.397 3.703 20 30 DHEDHN CN(Cc1ccc(C#N)cn1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000593952244 1039797823 /nfs/dbraw/zinc/79/78/23/1039797823.db2.gz UIEBJOMFAHNNQM-AZUAARDMSA-N 0 3 321.424 3.553 20 30 DHEDHN CSc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000594501013 1039800136 /nfs/dbraw/zinc/80/01/36/1039800136.db2.gz PYWLDJWZCCRIFL-UHFFFAOYSA-N 0 3 311.454 3.894 20 30 DHEDHN CC(C)(C#N)c1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000594507193 1039807766 /nfs/dbraw/zinc/80/77/66/1039807766.db2.gz ARGPRWSPYBXVQR-UHFFFAOYSA-N 0 3 303.409 3.844 20 30 DHEDHN N#CCC[C@@H](C#N)CNCCCc1c(Cl)cccc1Cl ZINC000594553810 1039809254 /nfs/dbraw/zinc/80/92/54/1039809254.db2.gz ZKQXLBYVOWELPP-LBPRGKRZSA-N 0 3 310.228 3.959 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)nc1 ZINC000593962862 1039839323 /nfs/dbraw/zinc/83/93/23/1039839323.db2.gz CCVDDAOUNGZNFQ-KRWDZBQOSA-N 0 3 316.408 3.814 20 30 DHEDHN Cn1ncc(C2CCC2)c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000594949572 1039960336 /nfs/dbraw/zinc/96/03/36/1039960336.db2.gz FVGVTPIHZTYAQS-LJQANCHMSA-N 0 3 320.440 3.726 20 30 DHEDHN COCc1csc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594952760 1039963058 /nfs/dbraw/zinc/96/30/58/1039963058.db2.gz ZWIREOSXYHGBPU-UHFFFAOYSA-N 0 3 312.438 3.935 20 30 DHEDHN CC(C)[C@@H](O)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000595097390 1040081497 /nfs/dbraw/zinc/08/14/97/1040081497.db2.gz VFBPEIMWCPTJRG-CWFSZBLJSA-N 0 3 308.425 3.967 20 30 DHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595602621 1040202286 /nfs/dbraw/zinc/20/22/86/1040202286.db2.gz JFQRQNMDSKQFFG-RDJZCZTQSA-N 0 3 322.412 3.833 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c(Cl)c1 ZINC000595789294 1040253241 /nfs/dbraw/zinc/25/32/41/1040253241.db2.gz QNCHROWQCHKICE-AEFFLSMTSA-N 0 3 318.848 3.993 20 30 DHEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000173970647 1040472207 /nfs/dbraw/zinc/47/22/07/1040472207.db2.gz QNAJYXCTWUWNNS-CZUORRHYSA-N 0 3 308.381 3.923 20 30 DHEDHN COCc1csc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000597157121 1040670613 /nfs/dbraw/zinc/67/06/13/1040670613.db2.gz FBGUTOKODUWRJO-CYBMUJFWSA-N 0 3 300.427 3.959 20 30 DHEDHN CC(C)c1nc(CNCCc2ccc(C#N)cc2)c2ccccn21 ZINC000597179456 1040678860 /nfs/dbraw/zinc/67/88/60/1040678860.db2.gz TXGSLYRUMRBYRF-UHFFFAOYSA-N 0 3 318.424 3.662 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456353098 1040786985 /nfs/dbraw/zinc/78/69/85/1040786985.db2.gz ZBDIBIWAFDJXBE-FXAWDEMLSA-N 0 3 314.473 3.569 20 30 DHEDHN N#Cc1c(F)cccc1CNC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000602002979 1040852439 /nfs/dbraw/zinc/85/24/39/1040852439.db2.gz CJFHZNGHGTVTPD-YLJYHZDGSA-N 0 3 324.399 3.955 20 30 DHEDHN C[C@@H](CCC#N)CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000602448306 1041038227 /nfs/dbraw/zinc/03/82/27/1041038227.db2.gz DWEDTACSIFCAEQ-GARJFASQSA-N 0 3 316.289 3.989 20 30 DHEDHN C[C@H](CCC#N)CN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000602467562 1041047410 /nfs/dbraw/zinc/04/74/10/1041047410.db2.gz XMUQGKVXBAFPBI-KDOFPFPSSA-N 0 3 314.408 3.520 20 30 DHEDHN COc1cc(Cl)ccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602544925 1041082126 /nfs/dbraw/zinc/08/21/26/1041082126.db2.gz CCIRDBHTPPHPBJ-ZDUSSCGKSA-N 0 3 322.836 3.537 20 30 DHEDHN C[C@H](NC1CCC(C#N)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000602620896 1041120656 /nfs/dbraw/zinc/12/06/56/1041120656.db2.gz AFECDDLUVNLWRZ-BZUNDVKYSA-N 0 3 314.364 3.609 20 30 DHEDHN Cc1cc(-c2noc([C@@H](C)NC[C@@H](C)CCC#N)n2)ccc1F ZINC000602641567 1041127279 /nfs/dbraw/zinc/12/72/79/1041127279.db2.gz GEKZICKAOIXVDG-WCQYABFASA-N 0 3 316.380 3.775 20 30 DHEDHN N#CCCCOc1cccc(CN2CC(c3ccccc3)C2)c1 ZINC000602728090 1041183469 /nfs/dbraw/zinc/18/34/69/1041183469.db2.gz INOOUSAYCARDNU-UHFFFAOYSA-N 0 3 306.409 3.969 20 30 DHEDHN N#Cc1ccc(C2CCN(C/C=C/c3ccccc3)CC2)nc1 ZINC000602910065 1041292546 /nfs/dbraw/zinc/29/25/46/1041292546.db2.gz CYVDRELOXXMQGD-QPJJXVBHSA-N 0 3 303.409 3.846 20 30 DHEDHN Cc1ccc(CN2CCC(c3ccc(C#N)cn3)CC2)cc1C#N ZINC000602908210 1041293459 /nfs/dbraw/zinc/29/34/59/1041293459.db2.gz ZVMBIQVYIQQXPB-UHFFFAOYSA-N 0 3 316.408 3.513 20 30 DHEDHN Cc1cc(C#N)ccc1CN1CCC(Cc2nccs2)CC1 ZINC000602953910 1041326693 /nfs/dbraw/zinc/32/66/93/1041326693.db2.gz FFNGWRRZBYKKDG-UHFFFAOYSA-N 0 3 311.454 3.778 20 30 DHEDHN N#CCc1ccc(CN2CCC(Cc3nccs3)CC2)cc1 ZINC000602957303 1041327250 /nfs/dbraw/zinc/32/72/50/1041327250.db2.gz TZCIBDLBEIBANZ-UHFFFAOYSA-N 0 3 311.454 3.664 20 30 DHEDHN Cc1ccc([O-])c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000092034397 193144705 /nfs/dbraw/zinc/14/47/05/193144705.db2.gz CXIHXMRDUNUGGF-UHFFFAOYSA-N 0 3 322.408 3.616 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@H](COCC)C2)cc1OC ZINC000093419244 335000482 /nfs/dbraw/zinc/00/04/82/335000482.db2.gz DHSSZKCYEGWWAE-KRWDZBQOSA-N 0 3 319.445 3.509 20 30 DHEDHN COc1ccc2c(c1)CCN([C@H](C)c1cccc(C#N)c1)CC2 ZINC000442668523 335001239 /nfs/dbraw/zinc/00/12/39/335001239.db2.gz AYKPMJUWPCSJEK-OAHLLOKOSA-N 0 3 306.409 3.729 20 30 DHEDHN Cc1cccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041555097 183202003 /nfs/dbraw/zinc/20/20/03/183202003.db2.gz YXFZEPMMEZQAFW-ZDUSSCGKSA-N 0 3 304.271 3.899 20 30 DHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CN(C)C ZINC000287091687 335040512 /nfs/dbraw/zinc/04/05/12/335040512.db2.gz JAVGARPRTAJCIV-AWEZNQCLSA-N 0 3 303.450 3.610 20 30 DHEDHN CC(=O)Nc1ccn([C@H]2CCN(Cc3c(C)cccc3C)C2)n1 ZINC000328637601 257263639 /nfs/dbraw/zinc/26/36/39/257263639.db2.gz WBPDOHMCUKPZOK-INIZCTEOSA-N 0 3 312.417 3.555 20 30 DHEDHN C=C[C@H](CO)N[C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000289650224 335062371 /nfs/dbraw/zinc/06/23/71/335062371.db2.gz GGFGFOKWZKGABV-ZYHUDNBSSA-N 0 3 305.365 3.539 20 30 DHEDHN CC(=O)Nc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000272758876 130061290 /nfs/dbraw/zinc/06/12/90/130061290.db2.gz PRLMXDBFQLVINX-ZIAGYGMSSA-N 0 3 307.397 3.928 20 30 DHEDHN CC1(C)CN(Cc2ccc(-c3ccccc3C#N)cc2)CC[C@H]1O ZINC000275390196 130312045 /nfs/dbraw/zinc/31/20/45/130312045.db2.gz CLYLIBIUTPTHHK-HXUWFJFHSA-N 0 3 320.436 3.818 20 30 DHEDHN CC[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000278303681 130679406 /nfs/dbraw/zinc/67/94/06/130679406.db2.gz SGZPUIOYYZULDH-MSOLQXFVSA-N 0 3 314.816 3.986 20 30 DHEDHN Cc1ccccc1NC(=O)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000298407938 132061457 /nfs/dbraw/zinc/06/14/57/132061457.db2.gz LXEITDIODTZBKD-CVEARBPZSA-N 0 3 321.424 3.935 20 30 DHEDHN Cc1nc2ccccc2n1CCN[C@H](C)c1ccc(C#N)cc1 ZINC000120649970 132150306 /nfs/dbraw/zinc/15/03/06/132150306.db2.gz SGNDRXZZEXBRRL-CQSZACIVSA-N 0 3 304.397 3.567 20 30 DHEDHN C=CCC[C@@H](O)CN[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000184341835 335067687 /nfs/dbraw/zinc/06/76/87/335067687.db2.gz LFJKKZKDGJOVAX-ZIAGYGMSSA-N 0 3 303.402 3.728 20 30 DHEDHN C=CC[C@@H](CO)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000186702622 331469333 /nfs/dbraw/zinc/46/93/33/331469333.db2.gz WPZOYKYMKGKWPQ-NHYWBVRUSA-N 0 3 320.433 3.845 20 30 DHEDHN C=C(C)COc1cccc(NC(=O)[C@H](CC)N(CC)CC)c1 ZINC000530576267 331608897 /nfs/dbraw/zinc/60/88/97/331608897.db2.gz YVSBYXPDBMBIGF-KRWDZBQOSA-N 0 3 304.434 3.700 20 30 DHEDHN Cc1ccc(NC(=O)/C=C\c2cccc(C#N)c2)c(CN(C)C)c1 ZINC000255306506 331730323 /nfs/dbraw/zinc/73/03/23/331730323.db2.gz QOJDSWWQXBPDGD-NTMALXAHSA-N 0 3 319.408 3.580 20 30 DHEDHN Fc1ccc(CNCCOCC(F)(F)F)c(C(F)(F)F)c1 ZINC000129450784 332018970 /nfs/dbraw/zinc/01/89/70/332018970.db2.gz HEJGAGWDYPWKSN-UHFFFAOYSA-N 0 3 319.220 3.513 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1ccc(Br)s1 ZINC000090883442 332053654 /nfs/dbraw/zinc/05/36/54/332053654.db2.gz SHNMIVLHIDNFLM-JTQLQIEISA-N 0 3 304.253 3.754 20 30 DHEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc2ccccc2c1 ZINC000569423686 332079934 /nfs/dbraw/zinc/07/99/34/332079934.db2.gz RMKLNTMUSKFWGV-MOPGFXCFSA-N 0 3 311.425 3.620 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC[C@@H]1CC)C(C)C ZINC000410126227 332090281 /nfs/dbraw/zinc/09/02/81/332090281.db2.gz WWCLVZMVRBRHCP-ROUUACIJSA-N 0 3 321.509 3.659 20 30 DHEDHN C[C@@H](Cc1ccsc1)N(C)CCOCc1ccc(C#N)cc1 ZINC000569507296 332112884 /nfs/dbraw/zinc/11/28/84/332112884.db2.gz DFQPIJUGILOOPU-HNNXBMFYSA-N 0 3 314.454 3.699 20 30 DHEDHN C=CCC[C@H](C(=O)NC[C@H]1CCCCN1CC)c1ccccc1 ZINC000427013937 332164791 /nfs/dbraw/zinc/16/47/91/332164791.db2.gz YGCUSELKXAMHHH-MOPGFXCFSA-N 0 3 314.473 3.727 20 30 DHEDHN CC(C)[C@H](CC(F)(F)F)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566302172 332325689 /nfs/dbraw/zinc/32/56/89/332325689.db2.gz UATLYQVWICVMAR-LBPRGKRZSA-N 0 3 315.295 3.533 20 30 DHEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000237551749 332374140 /nfs/dbraw/zinc/37/41/40/332374140.db2.gz XQDCJZXMNNTZTE-PXNSSMCTSA-N 0 3 322.452 3.580 20 30 DHEDHN CCCN(CCC)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000560688003 332377790 /nfs/dbraw/zinc/37/77/90/332377790.db2.gz GWLIGZFLKKETTB-GFCCVEGCSA-N 0 3 307.825 3.661 20 30 DHEDHN C=CCN(CCc1ccccc1)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000237691200 332385083 /nfs/dbraw/zinc/38/50/83/332385083.db2.gz XQDCJZXMNNTZTE-XLIONFOSSA-N 0 3 322.452 3.580 20 30 DHEDHN C=CCC1(NCc2nccn2CC(F)(F)F)CCCCC1 ZINC000449576086 332426332 /nfs/dbraw/zinc/42/63/32/332426332.db2.gz QBIZHKYXKNVCJD-UHFFFAOYSA-N 0 3 301.356 3.814 20 30 DHEDHN C[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)Oc1ccc(F)cc1 ZINC000561768766 332494702 /nfs/dbraw/zinc/49/47/02/332494702.db2.gz YXPBZDFCZQURHD-CHWSQXEVSA-N 0 3 316.351 3.955 20 30 DHEDHN C=CCC(C)(C)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000293694948 335112344 /nfs/dbraw/zinc/11/23/44/335112344.db2.gz CQKUXZMFHUPPNU-UHFFFAOYSA-N 0 3 314.473 3.617 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc([N+](=O)[O-])c1 ZINC000564418928 332637697 /nfs/dbraw/zinc/63/76/97/332637697.db2.gz ICNWSGHQXLUPEO-KZULUSFZSA-N 0 3 307.353 3.805 20 30 DHEDHN COc1ccc(OC(F)F)c(CNCC(C)(C)CCC#N)c1 ZINC000152824032 332706944 /nfs/dbraw/zinc/70/69/44/332706944.db2.gz WCCUJLVTCYCVPS-UHFFFAOYSA-N 0 3 312.360 3.716 20 30 DHEDHN CC(C)(C)C1=CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000533926202 333015468 /nfs/dbraw/zinc/01/54/68/333015468.db2.gz BNCQNXJNEZUNQW-UHFFFAOYSA-N 0 3 317.458 3.627 20 30 DHEDHN N#CCCCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000171034020 333044660 /nfs/dbraw/zinc/04/46/60/333044660.db2.gz KJRCKRYHEYJHJD-UHFFFAOYSA-N 0 3 304.821 3.929 20 30 DHEDHN C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)N1[C@@H](C)CC[C@@H]1C ZINC000171247640 333046526 /nfs/dbraw/zinc/04/65/26/333046526.db2.gz QDOUFLWLKAKOHM-KKUMJFAQSA-N 0 3 313.445 3.688 20 30 DHEDHN C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000171247635 333046559 /nfs/dbraw/zinc/04/65/59/333046559.db2.gz QDOUFLWLKAKOHM-ZNMIVQPWSA-N 0 3 313.445 3.688 20 30 DHEDHN CC(C)(C#N)CCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000174810161 333090959 /nfs/dbraw/zinc/09/09/59/333090959.db2.gz PFMRNKOMGDKZHF-MRXNPFEDSA-N 0 3 314.429 3.925 20 30 DHEDHN CC(C)(C#N)CCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000174807800 333091024 /nfs/dbraw/zinc/09/10/24/333091024.db2.gz XOQCCELPZGZPHV-UXBLZVDNSA-N 0 3 311.473 3.647 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(F)cc1N(C)C ZINC000563886463 335124217 /nfs/dbraw/zinc/12/42/17/335124217.db2.gz LFLCJBOWQRONCY-CQSZACIVSA-N 0 3 311.404 3.809 20 30 DHEDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000180558520 333163170 /nfs/dbraw/zinc/16/31/70/333163170.db2.gz AHELLOGXUNWHFO-MRXNPFEDSA-N 0 3 323.440 3.896 20 30 DHEDHN Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(OCC#N)cc1 ZINC000180555943 333163202 /nfs/dbraw/zinc/16/32/02/333163202.db2.gz BUVRNISLSXPSBQ-IBGZPJMESA-N 0 3 322.408 3.901 20 30 DHEDHN C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000182009320 333174359 /nfs/dbraw/zinc/17/43/59/333174359.db2.gz ZJQYLAKAPRFWSV-TXPKVOOTSA-N 0 3 316.445 3.835 20 30 DHEDHN CC[C@@H](CC#N)NC1CCN(Cc2ccccc2Cl)CC1 ZINC000184085576 333191910 /nfs/dbraw/zinc/19/19/10/333191910.db2.gz HRCXBYPVICNPOH-HNNXBMFYSA-N 0 3 305.853 3.586 20 30 DHEDHN Cc1cc(C)c(C#N)c(N[C@@H](C)CN(C)Cc2ccccc2)n1 ZINC000309902071 333206747 /nfs/dbraw/zinc/20/67/47/333206747.db2.gz PDUQBOQXNLVGCH-INIZCTEOSA-N 0 3 308.429 3.503 20 30 DHEDHN C=CCN(CC=C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000137439093 335123466 /nfs/dbraw/zinc/12/34/66/335123466.db2.gz FIRWIIKRYOTZBS-UHFFFAOYSA-N 0 3 312.335 3.708 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NC[C@@H](O)c2c(Cl)cccc2Cl)C1 ZINC000185839736 333214742 /nfs/dbraw/zinc/21/47/42/333214742.db2.gz JTJCCNFHGOLBOL-MISXGVKJSA-N 0 3 313.228 3.699 20 30 DHEDHN COc1ccc(Br)cc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185860161 333215227 /nfs/dbraw/zinc/21/52/27/333215227.db2.gz DGYZMTPNZAIBBQ-RISCZKNCSA-N 0 3 323.234 3.630 20 30 DHEDHN C=C(C)CN(C)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000497225231 333223945 /nfs/dbraw/zinc/22/39/45/333223945.db2.gz AOIAORQRFJPFIK-UHFFFAOYSA-N 0 3 303.324 3.644 20 30 DHEDHN C=CC[C@H](CC)N[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000500818499 333256238 /nfs/dbraw/zinc/25/62/38/333256238.db2.gz VISVBEKMNZCEFK-ROUUACIJSA-N 0 3 300.446 3.685 20 30 DHEDHN CCN(CCOc1ccccc1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000497590811 333266495 /nfs/dbraw/zinc/26/64/95/333266495.db2.gz OEHSMLBKVWKZIJ-INIZCTEOSA-N 0 3 319.408 3.892 20 30 DHEDHN COc1cccc([C@@H]2CCCN2CCOc2ccccc2C#N)c1 ZINC000497612522 333269805 /nfs/dbraw/zinc/26/98/05/333269805.db2.gz SHPDJTIUGGREEI-IBGZPJMESA-N 0 3 322.408 3.783 20 30 DHEDHN C=CC[C@H](C)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000116927622 333282546 /nfs/dbraw/zinc/28/25/46/333282546.db2.gz RFEQXEABKOMHDT-NSHDSACASA-N 0 3 320.234 3.893 20 30 DHEDHN C=CCOc1cccc(CN[C@@H]2C[C@H](CO)c3ccccc32)c1 ZINC000364426280 333313409 /nfs/dbraw/zinc/31/34/09/333313409.db2.gz AURFJJUBQNCNKF-OXQOHEQNSA-N 0 3 309.409 3.562 20 30 DHEDHN COCCN(CCCC(C)(C)C#N)[C@@H]1CCCc2cccnc21 ZINC000369007508 333349876 /nfs/dbraw/zinc/34/98/76/333349876.db2.gz FJBQYQPAMHZJGW-QGZVFWFLSA-N 0 3 315.461 3.737 20 30 DHEDHN C=CCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000522775478 333388800 /nfs/dbraw/zinc/38/88/00/333388800.db2.gz ZOANEHLFHWANSF-UHFFFAOYSA-N 0 3 312.379 3.789 20 30 DHEDHN CC(C)(NCCOCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000339034519 333506757 /nfs/dbraw/zinc/50/67/57/333506757.db2.gz XKAVPUROYMISTI-UHFFFAOYSA-N 0 3 301.217 3.748 20 30 DHEDHN Cc1c([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000339067189 333507967 /nfs/dbraw/zinc/50/79/67/333507967.db2.gz HQGGEZCLSQAVLW-BJJXKVORSA-N 0 3 312.392 3.663 20 30 DHEDHN N#CCCOCCN[C@@H](Cc1ccccc1)c1cccs1 ZINC000339083654 333508188 /nfs/dbraw/zinc/50/81/88/333508188.db2.gz MUSGVPUYFHJWOL-INIZCTEOSA-N 0 3 300.427 3.552 20 30 DHEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000411476957 333679070 /nfs/dbraw/zinc/67/90/70/333679070.db2.gz CEGTZLONZBKMPX-QRQCRPRQSA-N 0 3 318.486 3.939 20 30 DHEDHN N#Cc1ccccc1-c1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000411638767 333699662 /nfs/dbraw/zinc/69/96/62/333699662.db2.gz FAIAIBNLUYNQRC-NHCUHLMSSA-N 0 3 318.420 3.882 20 30 DHEDHN CC(C)(CC#N)CN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000414169461 333907093 /nfs/dbraw/zinc/90/70/93/333907093.db2.gz RUPUNLZUIGBBAB-RHSMWYFYSA-N 0 3 304.409 3.823 20 30 DHEDHN CC(C)(CC#N)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414170217 333907313 /nfs/dbraw/zinc/90/73/13/333907313.db2.gz SKVSSVNOOAWUBA-OAHLLOKOSA-N 0 3 301.390 3.847 20 30 DHEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000414223466 333924667 /nfs/dbraw/zinc/92/46/67/333924667.db2.gz OTSNMWYHACQDGF-RQUSPXKASA-N 0 3 310.372 3.660 20 30 DHEDHN C=CC[C@H](Cc1ccccc1)NCc1cc(C(F)(F)F)n[nH]1 ZINC000414542291 334013928 /nfs/dbraw/zinc/01/39/28/334013928.db2.gz XPOVGQHOSVVRCK-CYBMUJFWSA-N 0 3 309.335 3.706 20 30 DHEDHN CCOc1cccc([C@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000271448839 334023239 /nfs/dbraw/zinc/02/32/39/334023239.db2.gz IABVZIRQOWJSFL-HNNXBMFYSA-N 0 3 310.397 3.838 20 30 DHEDHN CC[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000271733110 334026021 /nfs/dbraw/zinc/02/60/21/334026021.db2.gz YZRWLCJDAIYVCL-IBGZPJMESA-N 0 3 321.424 3.674 20 30 DHEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCCCC#N)c2ccccc21 ZINC000273177117 334043881 /nfs/dbraw/zinc/04/38/81/334043881.db2.gz NNSOYSRAKKBWRV-JKSUJKDBSA-N 0 3 315.417 3.591 20 30 DHEDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCCCC#N)c2ccccc21 ZINC000273177105 334043945 /nfs/dbraw/zinc/04/39/45/334043945.db2.gz NNSOYSRAKKBWRV-CVEARBPZSA-N 0 3 315.417 3.591 20 30 DHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000274574501 334063474 /nfs/dbraw/zinc/06/34/74/334063474.db2.gz BNCXTQFJAFNOLU-SGMGOOAPSA-N 0 3 312.335 3.971 20 30 DHEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1Br ZINC000274635273 334064296 /nfs/dbraw/zinc/06/42/96/334064296.db2.gz PTGZFTNUGGFOJH-GMXVVIOVSA-N 0 3 323.234 3.801 20 30 DHEDHN CCc1ccc([C@H](O)CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000276426626 334077986 /nfs/dbraw/zinc/07/79/86/334077986.db2.gz OUCBVUJBJUGYOJ-MGPUTAFESA-N 0 3 324.424 3.536 20 30 DHEDHN CCCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000278343497 334095279 /nfs/dbraw/zinc/09/52/79/334095279.db2.gz XZPOALGQMUKAPR-HOCLYGCPSA-N 0 3 302.418 3.656 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000278503915 334097008 /nfs/dbraw/zinc/09/70/08/334097008.db2.gz AQUAOSDCGLTMIT-JEBQAFNWSA-N 0 3 318.848 3.778 20 30 DHEDHN COC[C@@H](NCCCCC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000278578163 334098294 /nfs/dbraw/zinc/09/82/94/334098294.db2.gz CMFXCQICSTUAGS-MRXNPFEDSA-N 0 3 310.388 3.962 20 30 DHEDHN C[C@H](NCCc1cccc(C#N)c1)c1nc2c(s1)CCCC2 ZINC000343509030 335172932 /nfs/dbraw/zinc/17/29/32/335172932.db2.gz JDDJPSHQHPGWGK-ZDUSSCGKSA-N 0 3 311.454 3.787 20 30 DHEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Br)cn1 ZINC000279818233 334112040 /nfs/dbraw/zinc/11/20/40/334112040.db2.gz PDGQGMSGRJBLLI-GMXVVIOVSA-N 0 3 308.223 3.577 20 30 DHEDHN CCC(CC)(CC)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279910508 334113023 /nfs/dbraw/zinc/11/30/23/334113023.db2.gz DYHJXLSHOZHGBK-KRWDZBQOSA-N 0 3 311.429 3.573 20 30 DHEDHN N#CCCCN[C@H](c1ccc(Br)cc1F)C1CC1 ZINC000280097409 334114263 /nfs/dbraw/zinc/11/42/63/334114263.db2.gz MVOSWIDWKRGPRR-AWEZNQCLSA-N 0 3 311.198 3.933 20 30 DHEDHN CN(C)Cc1cccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000280166366 334114661 /nfs/dbraw/zinc/11/46/61/334114661.db2.gz FXYUWUHJWLFVEB-UHFFFAOYSA-N 0 3 321.424 3.802 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)CC(C)C ZINC000343605509 335176661 /nfs/dbraw/zinc/17/66/61/335176661.db2.gz VZEUOSLCGRRHCK-HNNXBMFYSA-N 0 3 308.491 3.629 20 30 DHEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCC(C)(C)CC1 ZINC000280292117 334115985 /nfs/dbraw/zinc/11/59/85/334115985.db2.gz ZOOMXHJIUATMPU-QGZVFWFLSA-N 0 3 323.440 3.668 20 30 DHEDHN CC[C@H](NCCCC1(C#N)CCOCC1)c1nc(C)cs1 ZINC000281222294 334124014 /nfs/dbraw/zinc/12/40/14/334124014.db2.gz DXHVOOSABNJVQP-AWEZNQCLSA-N 0 3 307.463 3.593 20 30 DHEDHN N#CCCCN1CCC(c2ccc(Br)cc2)CC1 ZINC000282079753 334131204 /nfs/dbraw/zinc/13/12/04/334131204.db2.gz NXQYXKVNDAYTGM-UHFFFAOYSA-N 0 3 307.235 3.932 20 30 DHEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1cccc(F)c1F ZINC000282144768 334132068 /nfs/dbraw/zinc/13/20/68/334132068.db2.gz ZUHKPWGIAYKWPA-ZDUSSCGKSA-N 0 3 308.372 3.716 20 30 DHEDHN CN(CCC(C)(C)C#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000285373887 334147293 /nfs/dbraw/zinc/14/72/93/334147293.db2.gz REMZEEZUDKOOCN-UHFFFAOYSA-N 0 3 314.351 3.999 20 30 DHEDHN Cc1c(Cl)cccc1N1CCCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000294026691 334204871 /nfs/dbraw/zinc/20/48/71/334204871.db2.gz HSVSYGHJXNKBCQ-HZPDHXFCSA-N 0 3 317.864 3.853 20 30 DHEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340456071 334207129 /nfs/dbraw/zinc/20/71/29/334207129.db2.gz VBKWYIAXKROHOP-DZKIICNBSA-N 0 3 312.392 3.744 20 30 DHEDHN Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1[O-] ZINC000295114579 334218972 /nfs/dbraw/zinc/21/89/72/334218972.db2.gz VPNPGHXVFHZPJT-FZMZJTMJSA-N 0 3 323.234 3.635 20 30 DHEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ncc(Br)s1 ZINC000296660227 334235831 /nfs/dbraw/zinc/23/58/31/334235831.db2.gz ZRFVBAVSGRKZOA-GUBZILKMSA-N 0 3 314.252 3.639 20 30 DHEDHN COc1cc2nccc(N[C@H]3CC[C@@H](CC#N)C3)c2cc1OC ZINC000298899853 334251901 /nfs/dbraw/zinc/25/19/01/334251901.db2.gz NODMSDRRCFFADN-STQMWFEESA-N 0 3 311.385 3.746 20 30 DHEDHN Cc1cccc(NC(=O)C[C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000531951126 334309024 /nfs/dbraw/zinc/30/90/24/334309024.db2.gz AAIZURXFMMFIPN-HZPDHXFCSA-N 0 3 321.424 3.935 20 30 DHEDHN Cc1cc(NCC(C)(C)CCC#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000340939917 334395244 /nfs/dbraw/zinc/39/52/44/334395244.db2.gz NXKQCXREWWPISI-UHFFFAOYSA-N 0 3 312.373 3.615 20 30 DHEDHN N#Cc1cccc(CCNCc2nc3ccc(F)cc3s2)c1 ZINC000341491264 334447843 /nfs/dbraw/zinc/44/78/43/334447843.db2.gz SNOASSQWOMULHF-UHFFFAOYSA-N 0 3 311.385 3.639 20 30 DHEDHN C=CC[C@H](CO)CN[C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000341872274 334488387 /nfs/dbraw/zinc/48/83/87/334488387.db2.gz DBMJYUMPERMWGU-BBRMVZONSA-N 0 3 309.837 3.636 20 30 DHEDHN C[C@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000328708904 334749953 /nfs/dbraw/zinc/74/99/53/334749953.db2.gz QNWSWWXRKJINDA-BYNSBNAKSA-N 0 3 321.465 3.541 20 30 DHEDHN C[C@H](NCc1ccccc1Cn1ccnc1)c1cccc(C#N)c1 ZINC000344034901 335211029 /nfs/dbraw/zinc/21/10/29/335211029.db2.gz PPQUFPIGHCRHFU-INIZCTEOSA-N 0 3 316.408 3.654 20 30 DHEDHN C[C@H](NC[C@@]1(C)CCO[C@H]1C1CC1)c1ccc(C#N)cc1F ZINC000344130268 335220056 /nfs/dbraw/zinc/22/00/56/335220056.db2.gz LOZGEWHJGZRKNX-UYHISHBKSA-N 0 3 302.393 3.553 20 30 DHEDHN C[C@H](c1ccccc1)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC000344187982 335228720 /nfs/dbraw/zinc/22/87/20/335228720.db2.gz IEJYHANOIHDWHI-ZBFHGGJFSA-N 0 3 311.454 3.545 20 30 DHEDHN CC[C@H](CC#N)N[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000344684298 335266491 /nfs/dbraw/zinc/26/64/91/335266491.db2.gz CBYNDBXXPPVUNW-ZYHUDNBSSA-N 0 3 313.214 3.801 20 30 DHEDHN CO[C@@H](CNCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000344734936 335272308 /nfs/dbraw/zinc/27/23/08/335272308.db2.gz ZHCVVCQJKAGGKI-KRWDZBQOSA-N 0 3 300.789 3.689 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2SCCc3ccccc32)c(F)c1 ZINC000344769911 335276383 /nfs/dbraw/zinc/27/63/83/335276383.db2.gz ITYRRHRRAFBHPJ-SFHVURJKSA-N 0 3 312.413 3.818 20 30 DHEDHN C[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccc(C#N)c(F)c1 ZINC000346142249 335380894 /nfs/dbraw/zinc/38/08/94/335380894.db2.gz XFWDBHIVVFPRND-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000346158099 335383159 /nfs/dbraw/zinc/38/31/59/335383159.db2.gz HMUYFTUWBYPBRC-LBPRGKRZSA-N 0 3 311.360 3.507 20 30 DHEDHN CN(C)[C@@H](CNc1ccc(C#N)c(Cl)c1)c1ccsc1 ZINC000346589561 335421480 /nfs/dbraw/zinc/42/14/80/335421480.db2.gz CMKMPSOLYPTQJV-HNNXBMFYSA-N 0 3 305.834 3.988 20 30 DHEDHN Cc1ccc(CN2CCSCC2)cc1N[C@H]1CC[C@H](C#N)C1 ZINC000442864361 335644299 /nfs/dbraw/zinc/64/42/99/335644299.db2.gz GGSIRWSPTROQOT-RDJZCZTQSA-N 0 3 315.486 3.648 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC2CCCC2)C(C)C)CC1 ZINC000116193998 335881911 /nfs/dbraw/zinc/88/19/11/335881911.db2.gz QFISZIGJCMFWOM-LJQANCHMSA-N 0 3 320.521 3.996 20 30 DHEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000329600822 336002838 /nfs/dbraw/zinc/00/28/38/336002838.db2.gz XHZAQNIDIIGTHJ-OPDUPDQMSA-N 0 3 322.493 3.559 20 30 DHEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000329600823 336002922 /nfs/dbraw/zinc/00/29/22/336002922.db2.gz XHZAQNIDIIGTHJ-SHXLPXIPSA-N 0 3 322.493 3.559 20 30 DHEDHN Cc1sccc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000351396674 336032085 /nfs/dbraw/zinc/03/20/85/336032085.db2.gz KLFDXYAZUMEPDG-UHFFFAOYSA-N 0 3 312.438 3.972 20 30 DHEDHN CCCN1CCC(NC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000329920519 336095552 /nfs/dbraw/zinc/09/55/52/336095552.db2.gz SHCHCCVDQRDDRH-UHFFFAOYSA-N 0 3 305.422 3.511 20 30 DHEDHN C[C@H]1CCCCN1CCNC(=O)c1coc(C2CCCC2)n1 ZINC000329953225 336099261 /nfs/dbraw/zinc/09/92/61/336099261.db2.gz JHICCAHCOIRAGP-ZDUSSCGKSA-N 0 3 305.422 3.511 20 30 DHEDHN Cc1c(NC(=O)CC2CCN(C)CC2)cnn1C1CCCC1 ZINC000330175371 336120737 /nfs/dbraw/zinc/12/07/37/336120737.db2.gz JAXCZZHMTHQZTN-UHFFFAOYSA-N 0 3 304.438 3.627 20 30 DHEDHN Cc1c(Cl)cccc1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330218672 336125642 /nfs/dbraw/zinc/12/56/42/336125642.db2.gz JPCCGXLXFLKGLH-XZJROXQQSA-N 0 3 322.836 3.782 20 30 DHEDHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000330258445 336130758 /nfs/dbraw/zinc/13/07/58/336130758.db2.gz MKGPUBTYFYTGLP-PJODQICGSA-N 0 3 322.836 3.782 20 30 DHEDHN C[C@H](NCc1ccccc1-n1cccn1)c1cccc(C#N)c1 ZINC000194375393 338516618 /nfs/dbraw/zinc/51/66/18/338516618.db2.gz QZOLNWSRVCFROJ-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN C[C@H]1CCC[C@H](C)C1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332640316 336177131 /nfs/dbraw/zinc/17/71/31/336177131.db2.gz HKABGYVIQHLZAZ-STQMWFEESA-N 0 3 310.401 3.523 20 30 DHEDHN CC(C)[C@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332670475 336178358 /nfs/dbraw/zinc/17/83/58/336178358.db2.gz QKUXRQRSKQBXIT-IAGOWNOFSA-N 0 3 324.428 3.913 20 30 DHEDHN CC[C@@]1(C)CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000352611399 336226788 /nfs/dbraw/zinc/22/67/88/336226788.db2.gz HDKUIIDBBPENLP-FQEVSTJZSA-N 0 3 322.456 3.971 20 30 DHEDHN N#Cc1cccc(CN2CCC3(CC2)OCCc2ccsc23)c1 ZINC000352758424 336235190 /nfs/dbraw/zinc/23/51/90/336235190.db2.gz OJDBCYUYNVCFAA-UHFFFAOYSA-N 0 3 324.449 3.684 20 30 DHEDHN C[C@@H](CNCc1ccc(C#N)cc1F)Sc1ccccc1 ZINC000532568276 336255794 /nfs/dbraw/zinc/25/57/94/336255794.db2.gz KAOURSNAWDFBRJ-ZDUSSCGKSA-N 0 3 300.402 3.968 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2CCCS2)c(C(F)(F)F)c1 ZINC000352829455 336267447 /nfs/dbraw/zinc/26/74/47/336267447.db2.gz BKLFYHLOZWPAKH-LBPRGKRZSA-N 0 3 300.349 3.562 20 30 DHEDHN N#Cc1csc(CNCC2(c3ccc(F)cc3)CCCC2)n1 ZINC000352853246 336280225 /nfs/dbraw/zinc/28/02/25/336280225.db2.gz MLVKSSREBVBNAK-UHFFFAOYSA-N 0 3 315.417 3.755 20 30 DHEDHN C[C@@H](CNc1cccc(F)c1C#N)N1CCc2ccccc2C1 ZINC000301094238 336289588 /nfs/dbraw/zinc/28/95/88/336289588.db2.gz NVKIXBYEBHRTFQ-AWEZNQCLSA-N 0 3 309.388 3.556 20 30 DHEDHN N#Cc1cc(F)ccc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000301352527 336302128 /nfs/dbraw/zinc/30/21/28/336302128.db2.gz KRLZMRDJVWOLBK-IBGZPJMESA-N 0 3 309.388 3.946 20 30 DHEDHN CC(C)OCCN1CCC(Nc2ccc(Cl)cc2C#N)CC1 ZINC000301460672 336308213 /nfs/dbraw/zinc/30/82/13/336308213.db2.gz DOBGBGPUHUWJRJ-UHFFFAOYSA-N 0 3 321.852 3.513 20 30 DHEDHN C=CCN1CCC(Nc2cc(C)nc3c(OC)cccc23)CC1 ZINC000301679635 336322962 /nfs/dbraw/zinc/32/29/62/336322962.db2.gz RLEZRDZFIBPQIC-UHFFFAOYSA-N 0 3 311.429 3.614 20 30 DHEDHN C=C(C)CN1CCC(Nc2nc(CC)nc3sccc32)CC1 ZINC000301810033 336331552 /nfs/dbraw/zinc/33/15/52/336331552.db2.gz DEPQFBBGMLQBIB-UHFFFAOYSA-N 0 3 316.474 3.706 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000352891542 336356974 /nfs/dbraw/zinc/35/69/74/336356974.db2.gz KGAPSDZOTIHZRC-GXTWGEPZSA-N 0 3 301.390 3.580 20 30 DHEDHN Cc1ccccc1CN1CCC(Nc2ccc(C)c(C#N)n2)CC1 ZINC000302609508 336362532 /nfs/dbraw/zinc/36/25/32/336362532.db2.gz DUBIHCUKIINCJP-UHFFFAOYSA-N 0 3 320.440 3.647 20 30 DHEDHN Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)nc1C#N ZINC000302610368 336362589 /nfs/dbraw/zinc/36/25/89/336362589.db2.gz DUIKRAHXMOZCEN-SJLPKXTDSA-N 0 3 320.440 3.727 20 30 DHEDHN N#Cc1cccc(C#N)c1NC[C@H](c1cccs1)N1CCCC1 ZINC000302822001 336370578 /nfs/dbraw/zinc/37/05/78/336370578.db2.gz DSSZWQKYQSWDTH-MRXNPFEDSA-N 0 3 322.437 3.740 20 30 DHEDHN CN(CCSc1ncc(C#N)cc1Cl)Cc1ccccc1 ZINC000302862568 336372331 /nfs/dbraw/zinc/37/23/31/336372331.db2.gz RHLICRZYBIPLAC-UHFFFAOYSA-N 0 3 317.845 3.831 20 30 DHEDHN C=CCOc1ccccc1CN1CCC(C2CCOCC2)CC1 ZINC000514621093 336386577 /nfs/dbraw/zinc/38/65/77/336386577.db2.gz HFHDOGBCTLZGKT-UHFFFAOYSA-N 0 3 315.457 3.890 20 30 DHEDHN C=CCOc1ccc(CNCC2(C(F)(F)F)CC2)cc1OC ZINC000353047494 336391065 /nfs/dbraw/zinc/39/10/65/336391065.db2.gz NBRKWEWRUHZDAY-UHFFFAOYSA-N 0 3 315.335 3.692 20 30 DHEDHN N#Cc1cnn2cc(CN3CCC[C@@H]3CCC3CCCC3)cnc12 ZINC000582242267 336391284 /nfs/dbraw/zinc/39/12/84/336391284.db2.gz SWOMVCDWRTVTIP-GOSISDBHSA-N 0 3 323.444 3.536 20 30 DHEDHN COc1cc(CN[C@@H]2CCCc3cc(F)ccc32)ccc1C#N ZINC000353659047 336432499 /nfs/dbraw/zinc/43/24/99/336432499.db2.gz MBMOPZWXMRDRSZ-GOSISDBHSA-N 0 3 310.372 3.873 20 30 DHEDHN N#CCCC[C@@H](NCc1cnn2ccccc12)c1ccccc1 ZINC000353900191 336446903 /nfs/dbraw/zinc/44/69/03/336446903.db2.gz NDZWRPKBVCDILL-GOSISDBHSA-N 0 3 304.397 3.859 20 30 DHEDHN C=CCC[C@@H](NCCCNC(=O)c1occc1C)c1ccco1 ZINC000356059020 336533999 /nfs/dbraw/zinc/53/39/99/336533999.db2.gz LRFMCEHJIZWMIV-OAHLLOKOSA-N 0 3 316.401 3.598 20 30 DHEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1cc(C#N)cs1 ZINC000356298611 336545089 /nfs/dbraw/zinc/54/50/89/336545089.db2.gz CQKPDONEMDVCHE-ZBEGNZNMSA-N 0 3 304.390 3.625 20 30 DHEDHN Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358567902 336634870 /nfs/dbraw/zinc/63/48/70/336634870.db2.gz KOEBQMASPLSPJK-MNOVXSKESA-N 0 3 301.365 3.757 20 30 DHEDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367316491 336636528 /nfs/dbraw/zinc/63/65/28/336636528.db2.gz DGPURTPKIGIIBK-QGZVFWFLSA-N 0 3 321.424 3.796 20 30 DHEDHN Cc1nn(C)cc1[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360831459 336723418 /nfs/dbraw/zinc/72/34/18/336723418.db2.gz FJDOUHJMXVQAKE-YJYMSZOUSA-N 0 3 308.429 3.719 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000361835345 336774723 /nfs/dbraw/zinc/77/47/23/336774723.db2.gz WDKGYSHMWGNXTC-BBRMVZONSA-N 0 3 306.425 3.583 20 30 DHEDHN C[C@@H](c1ccccc1)N1CCC(Nc2cccnc2C#N)CC1 ZINC000368667565 336850550 /nfs/dbraw/zinc/85/05/50/336850550.db2.gz SLMSAPFZTWULRJ-HNNXBMFYSA-N 0 3 306.413 3.591 20 30 DHEDHN C=C(C)CN1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000369313944 336862256 /nfs/dbraw/zinc/86/22/56/336862256.db2.gz IKZRJDNXTNJCDN-UHFFFAOYSA-N 0 3 313.401 3.501 20 30 DHEDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418154094 336897654 /nfs/dbraw/zinc/89/76/54/336897654.db2.gz ZUBWQYUOLSTLNY-IBGZPJMESA-N 0 3 321.380 3.942 20 30 DHEDHN CC(C)(C)n1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418152193 336898157 /nfs/dbraw/zinc/89/81/57/336898157.db2.gz YGBMWOFVLORRKW-GOSISDBHSA-N 0 3 308.429 3.677 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN[C@H](CCO)c1ccccc1 ZINC000305778220 337036458 /nfs/dbraw/zinc/03/64/58/337036458.db2.gz QLISLHCIUAPXIW-LJQANCHMSA-N 0 3 308.425 3.701 20 30 DHEDHN Cc1ccc(C)c(CN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376594470 337037607 /nfs/dbraw/zinc/03/76/07/337037607.db2.gz FEJUFFYXHZAMQI-UHFFFAOYSA-N 0 3 305.425 3.756 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccncc2)cc1 ZINC000377688778 337058590 /nfs/dbraw/zinc/05/85/90/337058590.db2.gz CYNPWBQUPHCKGN-KXBFYZLASA-N 0 3 307.397 3.710 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000377688777 337058621 /nfs/dbraw/zinc/05/86/21/337058621.db2.gz CYNPWBQUPHCKGN-HNAYVOBHSA-N 0 3 307.397 3.710 20 30 DHEDHN N#Cc1ccc(CNCc2ccccc2-c2ccncc2)s1 ZINC000378013436 337065158 /nfs/dbraw/zinc/06/51/58/337065158.db2.gz WECTTYHOSCYWKD-UHFFFAOYSA-N 0 3 305.406 3.972 20 30 DHEDHN C=CCOc1cccc(CN2CCC(OCC3CC3)CC2)c1 ZINC000378342626 337070449 /nfs/dbraw/zinc/07/04/49/337070449.db2.gz PMJBZAPKTGZXBA-UHFFFAOYSA-N 0 3 301.430 3.642 20 30 DHEDHN CCOCc1ccccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000193892250 337079824 /nfs/dbraw/zinc/07/98/24/337079824.db2.gz CEYHPOZWPDHOGH-MRXNPFEDSA-N 0 3 324.424 3.976 20 30 DHEDHN C=CCCOCCN[C@H](C)c1cc(Br)cs1 ZINC000194127438 337081741 /nfs/dbraw/zinc/08/17/41/337081741.db2.gz VUYIUGJDMSPCEO-SNVBAGLBSA-N 0 3 304.253 3.754 20 30 DHEDHN C=CCN1CCC(NC(=O)C[C@@H](CC)c2ccc(C)cc2)CC1 ZINC000172349803 337091600 /nfs/dbraw/zinc/09/16/00/337091600.db2.gz YZYXZUKXCBRFHV-QGZVFWFLSA-N 0 3 314.473 3.645 20 30 DHEDHN CC(C)(C#N)CCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000174864989 337145083 /nfs/dbraw/zinc/14/50/83/337145083.db2.gz NQSWUFWZLQVVAZ-UHFFFAOYSA-N 0 3 304.409 3.999 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)c2cc(Cl)cn2C)n1 ZINC000177747952 337157181 /nfs/dbraw/zinc/15/71/81/337157181.db2.gz MHMRYOBQGLVYPF-JTQLQIEISA-N 0 3 307.806 3.748 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000582789824 337166785 /nfs/dbraw/zinc/16/67/85/337166785.db2.gz DKJFUVLLDRZTIX-QAPCUYQASA-N 0 3 322.880 3.704 20 30 DHEDHN C[C@H](NCc1cn(C)nc1-c1ccccc1)c1cccc(C#N)c1 ZINC000180421665 337174366 /nfs/dbraw/zinc/17/43/66/337174366.db2.gz LAOYBJROSZGFOE-HNNXBMFYSA-N 0 3 316.408 3.810 20 30 DHEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CCC1 ZINC000189282721 337278312 /nfs/dbraw/zinc/27/83/12/337278312.db2.gz QGWKXKSCHPEQOB-AEFFLSMTSA-N 0 3 312.457 3.512 20 30 DHEDHN CCN(C)c1ccc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000191240559 337295157 /nfs/dbraw/zinc/29/51/57/337295157.db2.gz FTGBBQVUBIOTGK-INIZCTEOSA-N 0 3 322.456 3.992 20 30 DHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(-c2cccnc2)cc1 ZINC000191272201 337295252 /nfs/dbraw/zinc/29/52/52/337295252.db2.gz ZRVWBUHLSNOSJS-HNNXBMFYSA-N 0 3 316.408 3.810 20 30 DHEDHN N#Cc1ccc(CN(CCCO)[C@@H]2CCc3ccccc32)cc1F ZINC000192059109 337302433 /nfs/dbraw/zinc/30/24/33/337302433.db2.gz VQDYTUCJTBIQKF-HXUWFJFHSA-N 0 3 324.399 3.569 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCc3c2cccc3Br)C1 ZINC000584496649 337350107 /nfs/dbraw/zinc/35/01/07/337350107.db2.gz NKXGWJQKMBAZRV-JRPNMDOOSA-N 0 3 305.219 3.718 20 30 DHEDHN N#Cc1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000037493066 337395575 /nfs/dbraw/zinc/39/55/75/337395575.db2.gz CVMAQFNFQYPZPF-UHFFFAOYSA-N 0 3 301.187 3.611 20 30 DHEDHN N#Cc1ccc(OCCN[C@@H](CC(F)F)c2ccccc2)cc1 ZINC000420985222 337517656 /nfs/dbraw/zinc/51/76/56/337517656.db2.gz IDGWJPZLZDMAHN-KRWDZBQOSA-N 0 3 316.351 3.923 20 30 DHEDHN N#Cc1ccc(CNC[C@H]2CC[C@H](c3ccccc3)O2)cc1F ZINC000421359131 337532058 /nfs/dbraw/zinc/53/20/58/337532058.db2.gz VWTOGMQHGMSYON-IEBWSBKVSA-N 0 3 310.372 3.707 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cc3cccc(C)c3o2)CC1 ZINC000264464044 337632596 /nfs/dbraw/zinc/63/25/96/337632596.db2.gz GVGPYNNSKYUWDB-UHFFFAOYSA-N 0 3 312.413 3.512 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)s1)c1ccc(C(=O)OC)cc1 ZINC000421871124 337657260 /nfs/dbraw/zinc/65/72/60/337657260.db2.gz FTUQXJVMROXCGE-INIZCTEOSA-N 0 3 314.410 3.647 20 30 DHEDHN C=C(C)CNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278390556 337667750 /nfs/dbraw/zinc/66/77/50/337667750.db2.gz PSTLLRRWPAKETC-UHFFFAOYSA-N 0 3 315.335 3.757 20 30 DHEDHN CC(C)c1ccc([C@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1 ZINC000424061399 337730961 /nfs/dbraw/zinc/73/09/61/337730961.db2.gz FBRDSSGCCNOQQE-QZTJIDSGSA-N 0 3 315.461 3.644 20 30 DHEDHN C=CC[C@@H](C)N[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000116907868 337844570 /nfs/dbraw/zinc/84/45/70/337844570.db2.gz CUIQKLYZPAIZGF-DNVCBOLYSA-N 0 3 324.424 3.929 20 30 DHEDHN C=C(C)COCCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000090450962 337880998 /nfs/dbraw/zinc/88/09/98/337880998.db2.gz ZCQZJFNRIJFZDB-CQSZACIVSA-N 0 3 317.408 3.563 20 30 DHEDHN Cc1ccc(NCC(C)(C)CCC#N)c(OCCN(C)C)c1 ZINC000092170620 337900765 /nfs/dbraw/zinc/90/07/65/337900765.db2.gz LKLIJSBNKYEXSC-UHFFFAOYSA-N 0 3 303.450 3.677 20 30 DHEDHN C[C@@H](N[C@@H](C)COc1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000537408165 337933880 /nfs/dbraw/zinc/93/38/80/337933880.db2.gz WUEMGQKDOXPHKQ-QWHCGFSZSA-N 0 3 316.351 3.955 20 30 DHEDHN C=CC[C@H](C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)c1ccccc1 ZINC000426649905 338037003 /nfs/dbraw/zinc/03/70/03/338037003.db2.gz YWVRTCALSHUGFU-AOIWGVFYSA-N 0 3 314.473 3.583 20 30 DHEDHN C=CCC[C@@H](N[C@@H]1COc2cc(OC)ccc2C1)c1ccco1 ZINC000428466440 338053872 /nfs/dbraw/zinc/05/38/72/338053872.db2.gz VRZLVHOGSVCZDL-DOTOQJQBSA-N 0 3 313.397 3.889 20 30 DHEDHN C=CCN1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC000429405020 338079708 /nfs/dbraw/zinc/07/97/08/338079708.db2.gz IHCLVAXYMKROLO-HXUWFJFHSA-N 0 3 300.490 3.838 20 30 DHEDHN C=CCN(C)CCN(CC)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000429705352 338087805 /nfs/dbraw/zinc/08/78/05/338087805.db2.gz CZARRTYZCMZJLH-INIZCTEOSA-N 0 3 313.445 3.842 20 30 DHEDHN CCO[C@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)C12CCCCC2 ZINC000429779928 338089681 /nfs/dbraw/zinc/08/96/81/338089681.db2.gz AZZKOTAHQJWFSK-MSOLQXFVSA-N 0 3 316.420 3.915 20 30 DHEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000429895550 338091629 /nfs/dbraw/zinc/09/16/29/338091629.db2.gz LWPIAKMUTQLWFB-NVXWUHKLSA-N 0 3 300.446 3.540 20 30 DHEDHN CSC[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000430208231 338101424 /nfs/dbraw/zinc/10/14/24/338101424.db2.gz SYCHXVSJNGJZSX-QGZVFWFLSA-N 0 3 318.486 3.944 20 30 DHEDHN CC1=C[C@H](C)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000430884041 338117930 /nfs/dbraw/zinc/11/79/30/338117930.db2.gz ULFFKRXFVIRQHP-INIZCTEOSA-N 0 3 320.440 3.862 20 30 DHEDHN C=C(C)CN1CCC(Nc2nc(C)c(CC(C)C)c(C)n2)CC1 ZINC000431851068 338140162 /nfs/dbraw/zinc/14/01/62/338140162.db2.gz ZCTIJJPJAMJYIM-UHFFFAOYSA-N 0 3 316.493 3.744 20 30 DHEDHN CNC(=O)c1cccc(CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433037160 338177641 /nfs/dbraw/zinc/17/76/41/338177641.db2.gz CUYCRCZOQTYWBU-IBGZPJMESA-N 0 3 321.424 3.571 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000433101258 338181755 /nfs/dbraw/zinc/18/17/55/338181755.db2.gz DLCRBKVYARCVEF-INIZCTEOSA-N 0 3 312.800 3.729 20 30 DHEDHN CN(Cc1cccc(F)c1)C(=O)C(C#N)CCc1ccccc1 ZINC000433113211 338182228 /nfs/dbraw/zinc/18/22/28/338182228.db2.gz BQHJPGIIXRWAEK-QGZVFWFLSA-N 0 3 310.372 3.557 20 30 DHEDHN Cc1ccccc1[C@@H](C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433120284 338182349 /nfs/dbraw/zinc/18/23/49/338182349.db2.gz JPTPSERRBZZEEG-SJLPKXTDSA-N 0 3 306.409 3.945 20 30 DHEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(C#N)CCc1ccccc1 ZINC000433344194 338193595 /nfs/dbraw/zinc/19/35/95/338193595.db2.gz QQXNLRZFCUVPBI-QXCFHYIPSA-N 0 3 310.441 3.939 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C(F)(F)F)ccc1F ZINC000435729475 338246544 /nfs/dbraw/zinc/24/65/44/338246544.db2.gz ASWOJMQFSRXPLB-NHYWBVRUSA-N 0 3 317.326 3.915 20 30 DHEDHN CSc1ccc(CCNCc2ccc(C#N)cc2F)cc1 ZINC000435742394 338247430 /nfs/dbraw/zinc/24/74/30/338247430.db2.gz UPZAVXCQZMKBAL-UHFFFAOYSA-N 0 3 300.402 3.752 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CCC2)c(OC(F)F)c1 ZINC000437141745 338302537 /nfs/dbraw/zinc/30/25/37/338302537.db2.gz LNHXQOVAHRKQKF-OAHLLOKOSA-N 0 3 306.356 3.924 20 30 DHEDHN C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000439121643 338361635 /nfs/dbraw/zinc/36/16/35/338361635.db2.gz WIAUBCXIXWRYJN-SCLBCKFNSA-N 0 3 324.384 3.570 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)[C@@H](C)C1(C)CC1)C(C)C ZINC000439178453 338363409 /nfs/dbraw/zinc/36/34/09/338363409.db2.gz OYCZMILDJCKECD-DLBZAZTESA-N 0 3 321.509 3.515 20 30 DHEDHN C=CCCCN[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000447797757 338566879 /nfs/dbraw/zinc/56/68/79/338566879.db2.gz NMABBEGDXWVVRK-IBGZPJMESA-N 0 3 324.424 3.931 20 30 DHEDHN C=CCCOCCNCc1cnc(-c2c(F)cccc2F)s1 ZINC000449201961 338602021 /nfs/dbraw/zinc/60/20/21/338602021.db2.gz FDRKGLFHGCJWNS-UHFFFAOYSA-N 0 3 324.396 3.771 20 30 DHEDHN Cn1cc(CN[C@H](c2ccc(F)c(Cl)c2)C2CC2)cc1C#N ZINC000449449656 338625236 /nfs/dbraw/zinc/62/52/36/338625236.db2.gz MGJAHYWZFCKSSQ-KRWDZBQOSA-N 0 3 317.795 3.930 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccc(C)cc2)s1 ZINC000449516874 338633885 /nfs/dbraw/zinc/63/38/85/338633885.db2.gz CXUIQEWZVTZMJL-CVEARBPZSA-N 0 3 300.427 3.552 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449548798 338636689 /nfs/dbraw/zinc/63/66/89/338636689.db2.gz QTSYMJUCXDABEM-WBVHZDCISA-N 0 3 304.390 3.541 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C)c(Br)s1 ZINC000451217395 338726382 /nfs/dbraw/zinc/72/63/82/338726382.db2.gz LGSOZEUALYDFCT-MXWKQRLJSA-N 0 3 316.264 3.813 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCC23CCCC3)c(OC(F)F)c1 ZINC000451460017 338735415 /nfs/dbraw/zinc/73/54/15/338735415.db2.gz RBPUOBCUMYHKEI-OAHLLOKOSA-N 0 3 306.356 3.972 20 30 DHEDHN Cc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000452080827 338752945 /nfs/dbraw/zinc/75/29/45/338752945.db2.gz PLPXCNUWOQQUKK-CABCVRRESA-N 0 3 307.397 3.545 20 30 DHEDHN C=CCC[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1ccco1 ZINC000453213112 338808679 /nfs/dbraw/zinc/80/86/79/338808679.db2.gz BQXJWVFZEBHDSK-IAGOWNOFSA-N 0 3 303.377 3.619 20 30 DHEDHN CO[C@@](C)(CN[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000453323333 338824774 /nfs/dbraw/zinc/82/47/74/338824774.db2.gz PMHUMZOYNUCQMJ-LIRRHRJNSA-N 0 3 312.388 3.910 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559577 339035766 /nfs/dbraw/zinc/03/57/66/339035766.db2.gz LACPZVBLWTUJMI-LIRRHRJNSA-N 0 3 314.429 3.673 20 30 DHEDHN CCOc1c(Cl)cc(CNCC(C)(C)CC#N)cc1OC ZINC000459691699 339043254 /nfs/dbraw/zinc/04/32/54/339043254.db2.gz LEQOLXRUFNNVMG-UHFFFAOYSA-N 0 3 310.825 3.777 20 30 DHEDHN CC(C)(CC#N)CNCc1ccccc1OCc1ccccn1 ZINC000459692658 339043267 /nfs/dbraw/zinc/04/32/67/339043267.db2.gz MNQHLOPLXBVZCS-UHFFFAOYSA-N 0 3 309.413 3.690 20 30 DHEDHN CCCCOc1cc(CNCC(C)(C)CC#N)ccc1OC ZINC000459705312 339043695 /nfs/dbraw/zinc/04/36/95/339043695.db2.gz YEUANRPIBVGGGR-UHFFFAOYSA-N 0 3 304.434 3.904 20 30 DHEDHN Cc1cc(CNCC(C)(C)CC#N)sc1Br ZINC000459733501 339045009 /nfs/dbraw/zinc/04/50/09/339045009.db2.gz QCYCZFHVHNGTDG-UHFFFAOYSA-N 0 3 301.253 3.849 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459810141 339049470 /nfs/dbraw/zinc/04/94/70/339049470.db2.gz PWGXDRWHXSBHAO-UONOGXRCSA-N 0 3 302.418 3.529 20 30 DHEDHN CC#CCCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000462319774 339075739 /nfs/dbraw/zinc/07/57/39/339075739.db2.gz ZXXMIFZHOFXCBP-UHFFFAOYSA-N 0 3 324.390 3.627 20 30 DHEDHN COc1ccc2c(c1)CCC[C@H]2CNCc1ccc(C#N)cc1F ZINC000464083569 339133690 /nfs/dbraw/zinc/13/36/90/339133690.db2.gz DHZOOMMVDUPDEY-INIZCTEOSA-N 0 3 324.399 3.916 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000464653573 339147894 /nfs/dbraw/zinc/14/78/94/339147894.db2.gz SWEMHMYIKWBNGV-MAUKXSAKSA-N 0 3 302.462 3.570 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000464854314 339158076 /nfs/dbraw/zinc/15/80/76/339158076.db2.gz ONKBZEQCBXEFDB-NVXWUHKLSA-N 0 3 323.358 3.558 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)C[C@@H]1CC)C(C)C ZINC000465543911 339179208 /nfs/dbraw/zinc/17/92/08/339179208.db2.gz KZTUIMMEMATAAB-OKZBNKHCSA-N 0 3 321.509 3.515 20 30 DHEDHN C[C@H](NC[C@H](CO)CC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000467442699 339238938 /nfs/dbraw/zinc/23/89/38/339238938.db2.gz HTKNXXAPESDSME-DZGCQCFKSA-N 0 3 304.409 3.537 20 30 DHEDHN CCCN(C(=O)C(C)C#N)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000469701750 339295716 /nfs/dbraw/zinc/29/57/16/339295716.db2.gz NUJRSESTOJSKNV-BZUAXINKSA-N 0 3 306.450 3.513 20 30 DHEDHN C[C@@H]1CCC[C@@H](CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000470954890 339332752 /nfs/dbraw/zinc/33/27/52/339332752.db2.gz DJIRJXSOGJYJRQ-GJYPPUQNSA-N 0 3 323.440 3.573 20 30 DHEDHN C=C[C@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000473826488 339392791 /nfs/dbraw/zinc/39/27/91/339392791.db2.gz FCDKIQNTVLIDOD-QGZVFWFLSA-N 0 3 324.852 3.821 20 30 DHEDHN C=CCCCCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000473919456 339395082 /nfs/dbraw/zinc/39/50/82/339395082.db2.gz PDAQTFLVOCMQFE-INIZCTEOSA-N 0 3 317.477 3.771 20 30 DHEDHN Cn1cc(CN2CCC(CCc3ccccc3)CC2)cc1C#N ZINC000483155259 339654392 /nfs/dbraw/zinc/65/43/92/339654392.db2.gz LGNSOYWOULHDHC-UHFFFAOYSA-N 0 3 307.441 3.742 20 30 DHEDHN CC(C)C1CCC(N2CCN(CC#Cc3ccccc3)CC2)CC1 ZINC000483941439 339678375 /nfs/dbraw/zinc/67/83/75/339678375.db2.gz NFBLIPYIPDXLFC-UHFFFAOYSA-N 0 3 324.512 3.871 20 30 DHEDHN CC(C)N(CCC#N)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496730027 340011453 /nfs/dbraw/zinc/01/14/53/340011453.db2.gz IEDZOPGETJPVCP-CVEARBPZSA-N 0 3 323.481 3.646 20 30 DHEDHN CC#CCCNCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000499210154 340032578 /nfs/dbraw/zinc/03/25/78/340032578.db2.gz GDNQAKROVAZCIN-UHFFFAOYSA-N 0 3 309.409 3.777 20 30 DHEDHN CC#CCCNCc1ccc(OCc2cccs2)c(OC)c1 ZINC000499215135 340032613 /nfs/dbraw/zinc/03/26/13/340032613.db2.gz QGINJBSDKWPBRZ-UHFFFAOYSA-N 0 3 315.438 3.839 20 30 DHEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(Cl)cc2)C2CCC2)C1=O ZINC000499604393 340040671 /nfs/dbraw/zinc/04/06/71/340040671.db2.gz VTXBTJWVNIPING-DLBZAZTESA-N 0 3 318.848 3.558 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C1CCCCC1)C(C)C ZINC000503443405 340128412 /nfs/dbraw/zinc/12/84/12/340128412.db2.gz WYOOMCSHMVLLJA-SFHVURJKSA-N 0 3 321.509 3.659 20 30 DHEDHN C=CCCCC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000503774218 340134499 /nfs/dbraw/zinc/13/44/99/340134499.db2.gz CPRIOHOEDWCQNC-UHFFFAOYSA-N 0 3 315.461 3.512 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000505016537 340158874 /nfs/dbraw/zinc/15/88/74/340158874.db2.gz ITULSIHCEKYCLA-INIZCTEOSA-N 0 3 315.461 3.611 20 30 DHEDHN Cc1[nH]nc2ncc(CN(Cc3ccc(C#N)cc3)C(C)C)cc12 ZINC000507151642 340209675 /nfs/dbraw/zinc/20/96/75/340209675.db2.gz ITLQMTQDRKGEHV-UHFFFAOYSA-N 0 3 319.412 3.549 20 30 DHEDHN Cc1sccc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000507494072 340222777 /nfs/dbraw/zinc/22/27/77/340222777.db2.gz WCIOKNHZXJDKNU-UHFFFAOYSA-N 0 3 311.454 3.641 20 30 DHEDHN C=CCN(Cc1ccccc1)Cc1ccc(OCCOC)cc1 ZINC000508541844 340246182 /nfs/dbraw/zinc/24/61/82/340246182.db2.gz CKYHLPZUNQCFSI-UHFFFAOYSA-N 0 3 311.425 3.900 20 30 DHEDHN COCc1ccccc1/C=C(\C)CNCc1cccc(C#N)c1 ZINC000509847798 340281458 /nfs/dbraw/zinc/28/14/58/340281458.db2.gz SWWZKVSIHAGRLD-MHWRWJLKSA-N 0 3 306.409 3.898 20 30 DHEDHN Cc1ccc([C@@H](CNc2c(F)cc(C#N)cc2F)N(C)C)cc1 ZINC000303050021 340298105 /nfs/dbraw/zinc/29/81/05/340298105.db2.gz VAWYREZPBAFCTR-QGZVFWFLSA-N 0 3 315.367 3.860 20 30 DHEDHN CC(C#N)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000510427409 340299103 /nfs/dbraw/zinc/29/91/03/340299103.db2.gz RFATUIJRKGAAAN-YVEFUNNKSA-N 0 3 314.335 3.524 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@H](C)CC ZINC000303447816 340325866 /nfs/dbraw/zinc/32/58/66/340325866.db2.gz HMVHODDEXQSHTQ-HUUCEWRRSA-N 0 3 308.491 3.629 20 30 DHEDHN C[C@@H](O)C[C@@H]1CCCCCN1CC#Cc1ccc(Cl)cc1 ZINC000512440041 340361983 /nfs/dbraw/zinc/36/19/83/340361983.db2.gz ZMUNSMQBJMPRAY-QAPCUYQASA-N 0 3 305.849 3.707 20 30 DHEDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512610543 340368899 /nfs/dbraw/zinc/36/88/99/340368899.db2.gz CBDSAEGQAVOHKY-VHKYSDTDSA-N 0 3 323.415 3.793 20 30 DHEDHN C[C@H](NCCc1cc(F)cc(F)c1)c1ccc(C#N)cc1F ZINC000512611155 340368921 /nfs/dbraw/zinc/36/89/21/340368921.db2.gz IGFIJPUPSWFXJH-NSHDSACASA-N 0 3 304.315 3.869 20 30 DHEDHN COc1cc(CCN[C@@H](C)c2ccc(C#N)cc2F)ccc1C ZINC000512611015 340368999 /nfs/dbraw/zinc/36/89/99/340368999.db2.gz GYZPVUMVBIITCD-AWEZNQCLSA-N 0 3 312.388 3.908 20 30 DHEDHN COc1ccc(C)cc1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000512615120 340369142 /nfs/dbraw/zinc/36/91/42/340369142.db2.gz XWYRDDZGVBAKMU-CQSZACIVSA-N 0 3 312.388 3.908 20 30 DHEDHN C[C@H](NC[C@H](C)N(C)c1ccccc1)c1ccc(C#N)cc1F ZINC000512631944 340369996 /nfs/dbraw/zinc/36/99/96/340369996.db2.gz VAAASYWIQDLVIM-GJZGRUSLSA-N 0 3 311.404 3.873 20 30 DHEDHN C[C@H](NC[C@H]1CCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512652537 340371041 /nfs/dbraw/zinc/37/10/41/340371041.db2.gz AHCFNDJYMODLOL-DOTOQJQBSA-N 0 3 323.415 3.874 20 30 DHEDHN C[C@H](N[C@H]1CCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512655075 340371317 /nfs/dbraw/zinc/37/13/17/340371317.db2.gz RJBRIBGMCJBUIJ-HOCLYGCPSA-N 0 3 309.388 3.627 20 30 DHEDHN COc1cccc(CCCN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512672261 340372381 /nfs/dbraw/zinc/37/23/81/340372381.db2.gz JSEHVABSXAWTQF-AWEZNQCLSA-N 0 3 312.388 3.989 20 30 DHEDHN C=CCCCN[C@@H](C)c1ccccc1I ZINC000309127427 340374310 /nfs/dbraw/zinc/37/43/10/340374310.db2.gz QHCOMAPRMZGFBP-NSHDSACASA-N 0 3 315.198 3.908 20 30 DHEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1cccc(C#N)c1 ZINC000513077958 340392346 /nfs/dbraw/zinc/39/23/46/340392346.db2.gz WFFZLISEYKYQHM-PWRODBHTSA-N 0 3 320.436 3.999 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000189924376 340541156 /nfs/dbraw/zinc/54/11/56/340541156.db2.gz VYEPURWJFPBDRV-IEBWSBKVSA-N 0 3 300.446 3.542 20 30 DHEDHN N#Cc1ccc(Br)c(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000191807174 340559139 /nfs/dbraw/zinc/55/91/39/340559139.db2.gz ZTBIPKWAJDJWQY-STQMWFEESA-N 0 3 305.219 3.553 20 30 DHEDHN COc1ccc([C@@H](NCc2ccc(C#N)c(F)c2)C2CC2)cc1 ZINC000192163689 340563587 /nfs/dbraw/zinc/56/35/87/340563587.db2.gz YWWIUGXQRIHPPB-IBGZPJMESA-N 0 3 310.372 3.947 20 30 DHEDHN N#Cc1ccc(CNCCOc2cccc(C(F)(F)F)c2)cc1 ZINC000237850513 340674549 /nfs/dbraw/zinc/67/45/49/340674549.db2.gz QKFQLLAOUUJHDY-UHFFFAOYSA-N 0 3 320.314 3.746 20 30 DHEDHN C[C@@H](CCC#N)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528577416 340724547 /nfs/dbraw/zinc/72/45/47/340724547.db2.gz IPCQUHWMEYOQIS-AWEZNQCLSA-N 0 3 316.449 3.674 20 30 DHEDHN CC(C)(Cc1ccc(Br)cc1)NCC1(C#N)CC1 ZINC000538350959 340819128 /nfs/dbraw/zinc/81/91/28/340819128.db2.gz UCVZURMHGSCKAR-UHFFFAOYSA-N 0 3 307.235 3.664 20 30 DHEDHN C[C@@H](N[C@@H](C)CC(=O)Nc1ccccc1)c1ccc(C#N)cc1 ZINC000128071152 340860192 /nfs/dbraw/zinc/86/01/92/340860192.db2.gz DUKLCSQZVGSCPY-LSDHHAIUSA-N 0 3 307.397 3.626 20 30 DHEDHN Cc1cccc(C(C)(C)NCCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000539286523 340879289 /nfs/dbraw/zinc/87/92/89/340879289.db2.gz LTQRMLGYQBNQMF-UHFFFAOYSA-N 0 3 321.424 3.720 20 30 DHEDHN COC[C@@H](Cc1ccccc1)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000539607681 340892339 /nfs/dbraw/zinc/89/23/39/340892339.db2.gz VXFGBTHWEXSGPO-RDTXWAMCSA-N 0 3 312.388 3.606 20 30 DHEDHN C[C@@H](NC[C@H](C)N1CCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000539609036 340892521 /nfs/dbraw/zinc/89/25/21/340892521.db2.gz BIQFWSFMWZFEDF-LSDHHAIUSA-N 0 3 323.415 3.799 20 30 DHEDHN C=CCOc1ccc(CN[C@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000542315939 341004197 /nfs/dbraw/zinc/00/41/97/341004197.db2.gz XSSHSLJVJFVYNF-ZWKOTPCHSA-N 0 3 321.848 3.952 20 30 DHEDHN C=CCOc1ccc(CN[C@@]2(C)CCO[C@H]2C2CC2)cc1Cl ZINC000542315938 341004287 /nfs/dbraw/zinc/00/42/87/341004287.db2.gz XSSHSLJVJFVYNF-ROUUACIJSA-N 0 3 321.848 3.952 20 30 DHEDHN COC(=O)CCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870950 341062243 /nfs/dbraw/zinc/06/22/43/341062243.db2.gz JQEGTRRESOZIJK-HNNXBMFYSA-N 0 3 322.408 3.829 20 30 DHEDHN C=CCOc1ccc(CN(CCO)Cc2ccc(C)cc2)cc1 ZINC000544034117 341067433 /nfs/dbraw/zinc/06/74/33/341067433.db2.gz JXEBKVDUZYKBTB-UHFFFAOYSA-N 0 3 311.425 3.554 20 30 DHEDHN C[C@H](NCc1cccc(C#N)c1F)[C@H]1Oc2ccccc2[C@@H]1C ZINC000544515336 341084588 /nfs/dbraw/zinc/08/45/88/341084588.db2.gz WOSMHCSBPFRBAI-JMERFSKESA-N 0 3 310.372 3.740 20 30 DHEDHN N#CC1(c2nc(-c3ccccc3CN3CCCCC3)no2)CCC1 ZINC000545701695 341137017 /nfs/dbraw/zinc/13/70/17/341137017.db2.gz SIWOWMUYFUZILS-UHFFFAOYSA-N 0 3 322.412 3.668 20 30 DHEDHN COc1ccc(OC)c(CN(CC(C)(C)CCC#N)C2CC2)c1 ZINC000133421662 341174967 /nfs/dbraw/zinc/17/49/67/341174967.db2.gz MBXIUFSHFAKLPM-UHFFFAOYSA-N 0 3 316.445 3.998 20 30 DHEDHN CC(C)c1ccc(OCCNCc2cc(C#N)cs2)cc1 ZINC000236681892 341194340 /nfs/dbraw/zinc/19/43/40/341194340.db2.gz NRJRRLKGLRLSQU-UHFFFAOYSA-N 0 3 300.427 3.912 20 30 DHEDHN C=CCCCN(C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000076737663 341213326 /nfs/dbraw/zinc/21/33/26/341213326.db2.gz MFTAQDYRCYFRLO-OAHLLOKOSA-N 0 3 314.429 3.850 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCN(C2CCCC2)CC1 ZINC000135118444 341231487 /nfs/dbraw/zinc/23/14/87/341231487.db2.gz YYTSMUUGOCHHAN-UHFFFAOYSA-N 0 3 311.473 3.548 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](CC)CCCC)CC1 ZINC000078533371 341243378 /nfs/dbraw/zinc/24/33/78/341243378.db2.gz LPNULSDCUISLBM-INIZCTEOSA-N 0 3 309.498 3.543 20 30 DHEDHN N#Cc1csc(CN[C@H]2CCCN(c3ccccc3F)C2)c1 ZINC000136119519 341253067 /nfs/dbraw/zinc/25/30/67/341253067.db2.gz HLALVARNYSIORA-AWEZNQCLSA-N 0 3 315.417 3.517 20 30 DHEDHN CC#CCN[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000548489164 341263776 /nfs/dbraw/zinc/26/37/76/341263776.db2.gz VYHWMRLTTHFSJW-HXUWFJFHSA-N 0 3 309.409 3.601 20 30 DHEDHN CCN(CCOc1cccc(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000080932730 341276887 /nfs/dbraw/zinc/27/68/87/341276887.db2.gz DMEOTYXZMLXIRR-HNNXBMFYSA-N 0 3 310.397 3.726 20 30 DHEDHN C=CCCN[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549039915 341284437 /nfs/dbraw/zinc/28/44/37/341284437.db2.gz KSZQTGYHQWETJL-WBVHZDCISA-N 0 3 324.827 3.695 20 30 DHEDHN C[C@H](NCCC1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1F ZINC000549225325 341289119 /nfs/dbraw/zinc/28/91/19/341289119.db2.gz IDHMKJRNJIHKGE-MCIONIFRSA-N 0 3 304.409 3.942 20 30 DHEDHN CC(C)[C@@H]1N(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1(C)C ZINC000552072104 341367580 /nfs/dbraw/zinc/36/75/80/341367580.db2.gz VOYUKTKSPMHDBW-IBGZPJMESA-N 0 3 322.456 3.825 20 30 DHEDHN CN(CCOc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000248038328 341372514 /nfs/dbraw/zinc/37/25/14/341372514.db2.gz KAZPNFBSUBOKAA-UHFFFAOYSA-N 0 3 300.789 3.722 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000255010925 341497224 /nfs/dbraw/zinc/49/72/24/341497224.db2.gz QWFOCZZDMJSJQN-XQRVVYSFSA-N 0 3 324.877 3.571 20 30 DHEDHN CCOc1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1O ZINC000180029303 521333907 /nfs/dbraw/zinc/33/39/07/521333907.db2.gz RBICNAJFHWECLB-UHFFFAOYSA-N 0 3 322.408 3.827 20 30 DHEDHN CC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000126953181 522614261 /nfs/dbraw/zinc/61/42/61/522614261.db2.gz MMPPEDJLJCJRBH-ZWKOTPCHSA-N 0 3 314.816 3.986 20 30 DHEDHN COC(=O)CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000181941460 523118321 /nfs/dbraw/zinc/11/83/21/523118321.db2.gz QBZHGFQIRYPUOQ-BEFAXECRSA-N 0 3 322.408 3.903 20 30 DHEDHN C[C@H]1C[C@@H]1C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000058291998 524841170 /nfs/dbraw/zinc/84/11/70/524841170.db2.gz RELKJIZYBOMWHR-LEWSCRJBSA-N 0 3 307.378 3.514 20 30 DHEDHN C[C@@H](Cc1ccccc1C(F)(F)F)NCc1ccc(C#N)o1 ZINC000181147200 524916073 /nfs/dbraw/zinc/91/60/73/524916073.db2.gz VJGNXIYEBWNFKM-NSHDSACASA-N 0 3 308.303 3.891 20 30 DHEDHN C[C@@H](NC[C@@H](c1cccc(F)c1)N(C)C)c1cccc(C#N)c1 ZINC000181388117 525477007 /nfs/dbraw/zinc/47/70/07/525477007.db2.gz QJUNCSYFQRCNIW-KUHUBIRLSA-N 0 3 311.404 3.651 20 30 DHEDHN C[C@@H](NCc1ccnc(N2CCCCC2)c1)c1ccc(C#N)cc1 ZINC000181524103 525546852 /nfs/dbraw/zinc/54/68/52/525546852.db2.gz PQIINWOZSOWFCH-MRXNPFEDSA-N 0 3 320.440 3.794 20 30 DHEDHN C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000365104299 525592951 /nfs/dbraw/zinc/59/29/51/525592951.db2.gz HSOSXNYQSPLTBH-QMIHWGKISA-N 0 3 306.409 3.505 20 30 DHEDHN Cc1ccc(C#N)c(NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC000160323325 525994228 /nfs/dbraw/zinc/99/42/28/525994228.db2.gz CMLPWXUYDUAVEK-HNNXBMFYSA-N 0 3 312.442 3.572 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338333007 526037633 /nfs/dbraw/zinc/03/76/33/526037633.db2.gz OKXNYPSSZYIVHL-LAUBAEHRSA-N 0 3 320.436 3.645 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338333006 526044340 /nfs/dbraw/zinc/04/43/40/526044340.db2.gz OKXNYPSSZYIVHL-DYESRHJHSA-N 0 3 320.436 3.645 20 30 DHEDHN N#Cc1ccc(-c2cnc(CN3C[C@H]4CCCC[C@@H]4C3)o2)cc1 ZINC000364227900 526582822 /nfs/dbraw/zinc/58/28/22/526582822.db2.gz BROAEOHIQIUNDO-IAGOWNOFSA-N 0 3 307.397 3.835 20 30 DHEDHN N#Cc1ccc(CN(Cc2ccc3c[nH]nc3c2)C2CC2)cc1 ZINC000180028928 526610011 /nfs/dbraw/zinc/61/00/11/526610011.db2.gz MWRWWIZBHZMMAR-UHFFFAOYSA-N 0 3 302.381 3.599 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1 ZINC000182109897 526626985 /nfs/dbraw/zinc/62/69/85/526626985.db2.gz QKBYLJHDDRNRSV-JKSUJKDBSA-N 0 3 318.829 3.893 20 30 DHEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c(C#N)c1C ZINC000249295039 526778016 /nfs/dbraw/zinc/77/80/16/526778016.db2.gz AZOLFLCSRCXNME-NGOBNIPXSA-N 0 3 317.433 3.509 20 30 DHEDHN CCS[C@@H]1CCCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000340196140 535704272 /nfs/dbraw/zinc/70/42/72/535704272.db2.gz WOYDPWXWRTYNDZ-MRXNPFEDSA-N 0 3 304.459 3.674 20 30 DHEDHN C=CCC[C@H](CCC)[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823894805 609249605 /nfs/dbraw/zinc/24/96/05/609249605.db2.gz XKFDUYPDJGNIKN-INIZCTEOSA-N 0 3 311.433 3.580 20 30 DHEDHN C=CCC[C@H](CCC)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823894805 609249607 /nfs/dbraw/zinc/24/96/07/609249607.db2.gz XKFDUYPDJGNIKN-INIZCTEOSA-N 0 3 311.433 3.580 20 30 DHEDHN C#C[C@H](NCc1sccc1NC(=O)OC(C)(C)C)C(C)C ZINC000894387790 1013244805 /nfs/dbraw/zinc/24/48/05/1013244805.db2.gz VWDGSJBBRPVVEN-LBPRGKRZSA-N 0 3 308.447 3.843 20 30 DHEDHN C=CCCCCCCCCN1Cc2cn(C)nc2[C@H](COC)C1 ZINC001209442326 1013292776 /nfs/dbraw/zinc/29/27/76/1013292776.db2.gz FRYIYHKSFHESFF-SFHVURJKSA-N 0 3 319.493 3.882 20 30 DHEDHN N#Cc1cc(CN2CCC[C@@H]2Cn2cnc3ccccc32)cs1 ZINC000894494942 1013394871 /nfs/dbraw/zinc/39/48/71/1013394871.db2.gz GZQHMPPTCQEQBJ-OAHLLOKOSA-N 0 3 322.437 3.634 20 30 DHEDHN N#CCCC[C@H](NCc1cn2ccnc2s1)c1ccccc1 ZINC000894607707 1013428970 /nfs/dbraw/zinc/42/89/70/1013428970.db2.gz VYPSNVAOFJFALE-INIZCTEOSA-N 0 3 310.426 3.921 20 30 DHEDHN N#CCc1cccc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000048859137 1013516839 /nfs/dbraw/zinc/51/68/39/1013516839.db2.gz MQXVSESKCTXJQB-QGZVFWFLSA-N 0 3 311.344 3.791 20 30 DHEDHN N#Cc1csc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000120851094 1013528703 /nfs/dbraw/zinc/52/87/03/1013528703.db2.gz CYOGWRFTKILPIA-KBXCAEBGSA-N 0 3 312.438 3.877 20 30 DHEDHN C#CCCCC(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894984264 1013766554 /nfs/dbraw/zinc/76/65/54/1013766554.db2.gz FPEYQTDCMBZXGS-UHFFFAOYSA-N 0 3 312.335 3.509 20 30 DHEDHN Cc1cccc(NC(=O)[C@H](C)N[C@@H]2CCC(=O)NC23CCC3)c1 ZINC000328721783 1013791007 /nfs/dbraw/zinc/79/10/07/1013791007.db2.gz XCFUXLTZYFTTRV-DZGCQCFKSA-N 0 3 315.417 3.603 20 30 DHEDHN N#Cc1csc(CN[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000177682990 1013977423 /nfs/dbraw/zinc/97/74/23/1013977423.db2.gz DVQXTSTYFCJQMI-SFHVURJKSA-N 0 3 311.454 3.546 20 30 DHEDHN CC1(C)[C@H](c2cccc(F)c2)CCN1Cc1cncc(C#N)c1 ZINC000931257513 1032081286 /nfs/dbraw/zinc/08/12/86/1032081286.db2.gz RBERFEAZHKYVEO-SFHVURJKSA-N 0 3 309.388 3.860 20 30 DHEDHN N#Cc1csc(CNCc2cccc(-c3cccnc3)c2)c1 ZINC000361760914 1032087100 /nfs/dbraw/zinc/08/71/00/1032087100.db2.gz VKUUJQGAQDHJBG-UHFFFAOYSA-N 0 3 305.406 3.972 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)OCCCO2 ZINC000580738175 1014325792 /nfs/dbraw/zinc/32/57/92/1014325792.db2.gz YKFSMSXMRQNBFL-OAHLLOKOSA-N 0 3 322.408 3.765 20 30 DHEDHN COc1ccccc1CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001203438611 1014435282 /nfs/dbraw/zinc/43/52/82/1014435282.db2.gz MHHDUESMMXZALI-IBGZPJMESA-N 0 3 322.408 3.610 20 30 DHEDHN COc1cccc(Oc2ccc(CN[C@@H]3CC[C@@H](C#N)C3)cn2)c1 ZINC000442713445 1014721374 /nfs/dbraw/zinc/72/13/74/1014721374.db2.gz WQROXCGYEKODSC-GDBMZVCRSA-N 0 3 323.396 3.664 20 30 DHEDHN COc1cccc(Oc2ncccc2CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442779407 1014729364 /nfs/dbraw/zinc/72/93/64/1014729364.db2.gz MFXDAAUIJUAXFK-HOCLYGCPSA-N 0 3 323.396 3.664 20 30 DHEDHN COc1ccc([C@H](C)N(C)Cc2ccc(C#N)c(OC)c2)cc1 ZINC000442795222 1014735980 /nfs/dbraw/zinc/73/59/80/1014735980.db2.gz DSWSXYPDPUGJQB-AWEZNQCLSA-N 0 3 310.397 3.768 20 30 DHEDHN CCN(Cc1ccc(OC)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000442797407 1014738174 /nfs/dbraw/zinc/73/81/74/1014738174.db2.gz HUCUJQVMQXYBBJ-UHFFFAOYSA-N 0 3 310.397 3.598 20 30 DHEDHN COc1cc(CN(C)Cc2cccc3[nH]ccc32)ccc1C#N ZINC000443063432 1014798094 /nfs/dbraw/zinc/79/80/94/1014798094.db2.gz ANEFRPUNUSAUFF-UHFFFAOYSA-N 0 3 305.381 3.680 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@@H](OC)C[C@@H]2C)ccc1OC ZINC000443071424 1014801192 /nfs/dbraw/zinc/80/11/92/1014801192.db2.gz SMJJCUYQYFIIPI-DOTOQJQBSA-N 0 3 319.445 3.649 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](CC)c1ccc(C)cc1 ZINC000341035065 1014834839 /nfs/dbraw/zinc/83/48/39/1014834839.db2.gz IGYBCXVYBMIWCJ-WMZOPIPTSA-N 0 3 300.446 3.625 20 30 DHEDHN CN(C)[C@H](C/N=C\c1cc(Cl)ccc1O)c1cccs1 ZINC000255316224 1014939804 /nfs/dbraw/zinc/93/98/04/1014939804.db2.gz VFWYJWICIKKSCB-ZLYHGVDXSA-N 0 3 308.834 3.829 20 30 DHEDHN C[C@@H](O)CN(Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001167472772 1015026119 /nfs/dbraw/zinc/02/61/19/1015026119.db2.gz CZXBUWCPUHXCES-CQSZACIVSA-N 0 3 314.816 3.595 20 30 DHEDHN C=CCOc1cccc(CNc2ccc([C@H]3CNCCO3)cc2)c1 ZINC000656792183 1015163208 /nfs/dbraw/zinc/16/32/08/1015163208.db2.gz PFSQZTKVDFIZGE-HXUWFJFHSA-N 0 3 324.424 3.524 20 30 DHEDHN Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)c(CN(C)C)c1 ZINC000255356215 1015191225 /nfs/dbraw/zinc/19/12/25/1015191225.db2.gz FOGMONBYMAAHFS-LUAWRHEFSA-N 0 3 319.408 3.580 20 30 DHEDHN CSC1(CNCc2cc(C#N)cnc2Cl)CCCCC1 ZINC000895812518 1015313501 /nfs/dbraw/zinc/31/35/01/1015313501.db2.gz SORXGBWSPUMVHB-UHFFFAOYSA-N 0 3 309.866 3.762 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000522440938 1015392767 /nfs/dbraw/zinc/39/27/67/1015392767.db2.gz HFGFKRQHCXCSRI-LPHOPBHVSA-N 0 3 314.473 3.978 20 30 DHEDHN COC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000341659732 1015645112 /nfs/dbraw/zinc/64/51/12/1015645112.db2.gz QHYIAGZITNRJBB-UXHICEINSA-N 0 3 306.409 3.913 20 30 DHEDHN C[C@H](NC(=O)CCNC(=O)C1CCCCC1)C1=CCN(C)CC1 ZINC000329527068 1015727979 /nfs/dbraw/zinc/72/79/79/1015727979.db2.gz UCAZLPPAIQHPFW-AWEZNQCLSA-N 0 3 321.465 3.520 20 30 DHEDHN C[C@@H](NC[C@@](C)(O)C1CCCCC1)c1ccc(C#N)cc1F ZINC000477869486 1015738580 /nfs/dbraw/zinc/73/85/80/1015738580.db2.gz ZPRZHLLJZQLHSL-FZKQIMNGSA-N 0 3 304.409 3.679 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000341817946 1015751165 /nfs/dbraw/zinc/75/11/65/1015751165.db2.gz VIZFRBRJNDDZCZ-SFHVURJKSA-N 0 3 307.353 3.634 20 30 DHEDHN CSc1nc(CN2CC[C@@H](c3ccccc3)C2)ccc1C#N ZINC001141929437 1015770819 /nfs/dbraw/zinc/77/08/19/1015770819.db2.gz VUYVWEOKAXVUON-MRXNPFEDSA-N 0 3 309.438 3.665 20 30 DHEDHN C=CCC[C@H](NCC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000341939756 1015852755 /nfs/dbraw/zinc/85/27/55/1015852755.db2.gz FZIRIHSEPQQIRM-IBGZPJMESA-N 0 3 320.436 3.873 20 30 DHEDHN COCCOc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610829962 1015878954 /nfs/dbraw/zinc/87/89/54/1015878954.db2.gz UNQLGJJDBWNNIB-CVEARBPZSA-N 0 3 324.424 3.995 20 30 DHEDHN CC[C@H]1CN(Cc2ccnc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000610993714 1015999645 /nfs/dbraw/zinc/99/96/45/1015999645.db2.gz DFNWSNRTWHVWBY-FXAWDEMLSA-N 0 3 305.425 3.969 20 30 DHEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccnc(C#N)c2)C12CCCCC2 ZINC000610994033 1016006408 /nfs/dbraw/zinc/00/64/08/1016006408.db2.gz RPADLBKOBASKLH-ZWKOTPCHSA-N 0 3 313.445 3.513 20 30 DHEDHN CC(C)OC(=O)C[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000248629842 1016584834 /nfs/dbraw/zinc/58/48/34/1016584834.db2.gz QFCSHPLSHCEFMB-WBVHZDCISA-N 0 3 314.429 3.673 20 30 DHEDHN CCOc1cccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)c1 ZINC000281807264 1016743492 /nfs/dbraw/zinc/74/34/92/1016743492.db2.gz VTFNXYMZOIHPEX-CQSZACIVSA-N 0 3 310.397 3.816 20 30 DHEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCC(C)(C)C#N ZINC000347188023 1016777939 /nfs/dbraw/zinc/77/79/39/1016777939.db2.gz DVIFLXSNPCMLQK-SNVBAGLBSA-N 0 3 316.371 3.653 20 30 DHEDHN Cc1cccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000362131925 1032245265 /nfs/dbraw/zinc/24/52/65/1032245265.db2.gz YMZWSMFOURREST-ZDUSSCGKSA-N 0 3 304.271 3.899 20 30 DHEDHN C#CCOc1ccccc1CN[C@H]1CCCc2ccc(OC)cc21 ZINC000772990016 1032391446 /nfs/dbraw/zinc/39/14/46/1032391446.db2.gz ZTPXRLFCDVLCDT-FQEVSTJZSA-N 0 3 321.420 3.874 20 30 DHEDHN N#CCCN(C1CCCC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171379276 1032549786 /nfs/dbraw/zinc/54/97/86/1032549786.db2.gz CGDYLTIEXNLUKU-INIZCTEOSA-N 0 3 304.384 3.980 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCOc3cc(C)ccc32)cc1C#N ZINC000773084697 1032552015 /nfs/dbraw/zinc/55/20/15/1032552015.db2.gz VQOHUKLHKWCPKY-GOSISDBHSA-N 0 3 322.408 3.879 20 30 DHEDHN COc1ccc(CN[C@@H]2CSCCc3ccccc32)cc1C#N ZINC000773083799 1032552088 /nfs/dbraw/zinc/55/20/88/1032552088.db2.gz ODLMQGKZYSFTKJ-GOSISDBHSA-N 0 3 324.449 3.687 20 30 DHEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000424098524 1011903483 /nfs/dbraw/zinc/90/34/83/1011903483.db2.gz TWVAAAIDWLUVPV-INIZCTEOSA-N 0 3 317.458 3.681 20 30 DHEDHN N#CC(C(=O)CCSc1ccccc1F)c1ccccn1 ZINC000049457250 1011919789 /nfs/dbraw/zinc/91/97/89/1011919789.db2.gz USQXNEOKPFXFDQ-GFCCVEGCSA-N 0 3 300.358 3.579 20 30 DHEDHN COC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000424329711 1011983708 /nfs/dbraw/zinc/98/37/08/1011983708.db2.gz PUCMWELSUOSBCD-NILFDRSVSA-N 0 3 312.335 3.675 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000424577502 1012054331 /nfs/dbraw/zinc/05/43/31/1012054331.db2.gz PCAJCWJWYBMTBK-UHFFFAOYSA-N 0 3 314.473 3.542 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000424868771 1012162759 /nfs/dbraw/zinc/16/27/59/1012162759.db2.gz IWCFWJWIPLIOAS-QGZVFWFLSA-N 0 3 314.473 3.569 20 30 DHEDHN COC(=O)c1ccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000122868916 1032625604 /nfs/dbraw/zinc/62/56/04/1032625604.db2.gz ZIEDILZDYQOASV-AWEZNQCLSA-N 0 3 308.381 3.538 20 30 DHEDHN CC(C)n1cc(CN2CCC(c3cccc(C#N)c3)CC2)cn1 ZINC001137079542 1032628745 /nfs/dbraw/zinc/62/87/45/1032628745.db2.gz PUQSVGGWWWGRMT-UHFFFAOYSA-N 0 3 308.429 3.715 20 30 DHEDHN C[C@@H](CN1CCC(Oc2ccccc2C#N)CC1)C(F)(F)F ZINC001208891479 1012749049 /nfs/dbraw/zinc/74/90/49/1012749049.db2.gz KBVGKBLQVIGBGR-LBPRGKRZSA-N 0 3 312.335 3.600 20 30 DHEDHN C=CCCC[C@@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000179790438 1017305460 /nfs/dbraw/zinc/30/54/60/1017305460.db2.gz QVFWNDJOKPSLIY-CQSZACIVSA-N 0 3 314.429 3.969 20 30 DHEDHN C=CCC[C@@H](NCC(=O)Nc1nc(C)cs1)c1ccccc1 ZINC000180046842 1017358731 /nfs/dbraw/zinc/35/87/31/1017358731.db2.gz ARIAPLPHXDETNS-OAHLLOKOSA-N 0 3 315.442 3.687 20 30 DHEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(C)cc1 ZINC000192674603 1032695622 /nfs/dbraw/zinc/69/56/22/1032695622.db2.gz LDJSZWPOWNQGFR-MAUKXSAKSA-N 0 3 321.424 3.935 20 30 DHEDHN COc1ccccc1[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000121387128 1017409596 /nfs/dbraw/zinc/40/95/96/1017409596.db2.gz BORCYJAZUJFPPC-OAHLLOKOSA-N 0 3 310.372 3.695 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H]2CCc3c2cccc3O)cc1 ZINC000113337343 1017548427 /nfs/dbraw/zinc/54/84/27/1017548427.db2.gz RRCDXIZVKQLFEH-LJQANCHMSA-N 0 3 307.393 3.571 20 30 DHEDHN CN1CCCC[C@@H]1c1ccc(NCc2ccccc2C#N)nc1 ZINC001167636225 1017828065 /nfs/dbraw/zinc/82/80/65/1017828065.db2.gz YAHQJBKVFBVQKV-GOSISDBHSA-N 0 3 306.413 3.722 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](c2ccccc2)CC1 ZINC000524307528 1017953537 /nfs/dbraw/zinc/95/35/37/1017953537.db2.gz IJTWWCLOHYTQCS-IBGZPJMESA-N 0 3 314.473 3.681 20 30 DHEDHN COc1cc(CN[C@@H](c2ccc(F)cc2)C2CC2)ccc1C#N ZINC000573144135 1017966223 /nfs/dbraw/zinc/96/62/23/1017966223.db2.gz QTESIOLFHDRROP-LJQANCHMSA-N 0 3 310.372 3.947 20 30 DHEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccccc1-n1cccn1 ZINC000183142470 1017996152 /nfs/dbraw/zinc/99/61/52/1017996152.db2.gz IKKLQQMVEZBAIJ-INIZCTEOSA-N 0 3 319.383 3.714 20 30 DHEDHN C=CCN1CCC(NC(=O)NCC2(CC(C)C)CCCC2)CC1 ZINC000445887020 1018001194 /nfs/dbraw/zinc/00/11/94/1018001194.db2.gz FHBPSLVYVLQYNH-UHFFFAOYSA-N 0 3 321.509 3.543 20 30 DHEDHN C=CCCCCCN(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000524799398 1018094613 /nfs/dbraw/zinc/09/46/13/1018094613.db2.gz ACKBMIMLGMQOGI-SFHVURJKSA-N 0 3 317.477 3.677 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000525121852 1018175694 /nfs/dbraw/zinc/17/56/94/1018175694.db2.gz HOMHNKYYQSUJBG-HKUYNNGSSA-N 0 3 314.473 3.537 20 30 DHEDHN C=CC[C@H]1N(Cc2ccc([S@](C)=O)cc2)CCCC1(C)C ZINC000446827468 1018261406 /nfs/dbraw/zinc/26/14/06/1018261406.db2.gz ONBHKXHRSCEQPN-UTKZUKDTSA-N 0 3 305.487 3.991 20 30 DHEDHN N#CCC1CCN([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171541857 1032753913 /nfs/dbraw/zinc/75/39/13/1032753913.db2.gz LQKLKNHZYQCYKK-CYBMUJFWSA-N 0 3 308.347 3.587 20 30 DHEDHN CN(C)[C@H](CNc1snc(Cl)c1C#N)c1ccc(F)cc1 ZINC000052486121 1018608114 /nfs/dbraw/zinc/60/81/14/1018608114.db2.gz IAAHUGBYTBHEGS-GFCCVEGCSA-N 0 3 324.812 3.522 20 30 DHEDHN CCCN(CCC#N)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168661681 1018758348 /nfs/dbraw/zinc/75/83/48/1018758348.db2.gz LELAZNQDAVMTJZ-SJLPKXTDSA-N 0 3 302.418 3.541 20 30 DHEDHN C[C@@H](Cc1ccco1)NCc1cc(C#N)ccc1Br ZINC000921513632 1018803746 /nfs/dbraw/zinc/80/37/46/1018803746.db2.gz CBZQQGMIMQHUPU-NSHDSACASA-N 0 3 319.202 3.635 20 30 DHEDHN CO[C@H](CNCc1csc(C#N)c1)c1cccc(Cl)c1 ZINC000921797501 1018863545 /nfs/dbraw/zinc/86/35/45/1018863545.db2.gz DJHHRHYXANPFGY-OAHLLOKOSA-N 0 3 306.818 3.750 20 30 DHEDHN N#Cc1cc(CNCCOCc2ccc(Cl)cc2)cs1 ZINC000921928988 1019137887 /nfs/dbraw/zinc/13/78/87/1019137887.db2.gz CGSPKQVRIUGMMM-UHFFFAOYSA-N 0 3 306.818 3.580 20 30 DHEDHN N#Cc1ccc(NC(=O)CN(C2CC2)C2CCCC2)cc1Cl ZINC000064808262 1019199810 /nfs/dbraw/zinc/19/98/10/1019199810.db2.gz HVUDOKFOEHUQOU-UHFFFAOYSA-N 0 3 317.820 3.557 20 30 DHEDHN CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1csc(C#N)c1 ZINC000921957343 1019210837 /nfs/dbraw/zinc/21/08/37/1019210837.db2.gz BDXDKXQKPPFYTI-MEDUHNTESA-N 0 3 304.390 3.625 20 30 DHEDHN CO[C@H](c1ccccc1F)[C@H](C)NCc1csc(C#N)c1 ZINC000921969691 1019234567 /nfs/dbraw/zinc/23/45/67/1019234567.db2.gz OWNADQUHVAXYGA-ZBEGNZNMSA-N 0 3 304.390 3.625 20 30 DHEDHN N#Cc1ccc(CNC2(CCOCc3ccccc3)CC2)c(F)c1 ZINC000611168261 1019408228 /nfs/dbraw/zinc/40/82/28/1019408228.db2.gz MHZNCBNFNWHOKW-UHFFFAOYSA-N 0 3 324.399 3.926 20 30 DHEDHN CC(C)(CCC#N)CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611276663 1019432378 /nfs/dbraw/zinc/43/23/78/1019432378.db2.gz RGOHBLBEJZXCEU-AOOOYVTPSA-N 0 3 316.289 3.989 20 30 DHEDHN N#Cc1ccc(NC(=O)CN[C@H](CC2CC2)c2ccccc2)cc1 ZINC000611395500 1019468542 /nfs/dbraw/zinc/46/85/42/1019468542.db2.gz FGXCPBFQQZCTHH-LJQANCHMSA-N 0 3 319.408 3.628 20 30 DHEDHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCOc1cccc(C#N)c1 ZINC000611553984 1019514838 /nfs/dbraw/zinc/51/48/38/1019514838.db2.gz AGGDZJKJMWBLID-JSGCOSHPSA-N 0 3 312.335 3.600 20 30 DHEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCOc1ccc(C#N)cc1 ZINC000611554891 1019518358 /nfs/dbraw/zinc/51/83/58/1019518358.db2.gz ALOCJSKWYGHUEY-OCCSQVGLSA-N 0 3 312.335 3.600 20 30 DHEDHN CCN(CC(=O)Nc1sc(C)c(C)c1C#N)C1CCCCC1 ZINC000078649490 1019561203 /nfs/dbraw/zinc/56/12/03/1019561203.db2.gz NVMGQJPEKIQGAL-UHFFFAOYSA-N 0 3 319.474 3.830 20 30 DHEDHN C[C@@H](NCCc1nc2c(s1)CCC2)c1ccc(C#N)cc1F ZINC000926932393 1032837942 /nfs/dbraw/zinc/83/79/42/1032837942.db2.gz WONUEPQRLDTAKD-LLVKDONJSA-N 0 3 315.417 3.536 20 30 DHEDHN COc1ccc(CN(C)Cc2cccc(C#N)c2)c(C)c1OC ZINC000347588397 1019745934 /nfs/dbraw/zinc/74/59/34/1019745934.db2.gz NEOWODBBZOTCIB-UHFFFAOYSA-N 0 3 310.397 3.516 20 30 DHEDHN CCC[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000727830542 1019819542 /nfs/dbraw/zinc/81/95/42/1019819542.db2.gz AYRFGRIWSDFKAB-UHFFFAOYSA-N 0 3 324.424 3.945 20 30 DHEDHN CCC[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000727830542 1019819552 /nfs/dbraw/zinc/81/95/52/1019819552.db2.gz AYRFGRIWSDFKAB-UHFFFAOYSA-N 0 3 324.424 3.945 20 30 DHEDHN C=CCC[C@@H](N[C@@H]1COc2c(cccc2OC)C1)c1ccco1 ZINC000671745864 1019908832 /nfs/dbraw/zinc/90/88/32/1019908832.db2.gz QIWIZTPTWJDGGB-JKSUJKDBSA-N 0 3 313.397 3.889 20 30 DHEDHN Cc1noc(C)c1[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000179225217 1019910687 /nfs/dbraw/zinc/91/06/87/1019910687.db2.gz KHTNZHQAGUHJFF-GWCFXTLKSA-N 0 3 323.352 3.803 20 30 DHEDHN COCc1csc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000922247465 1019925450 /nfs/dbraw/zinc/92/54/50/1019925450.db2.gz DLCASTMQOBTNGX-UHFFFAOYSA-N 0 3 300.427 3.673 20 30 DHEDHN C=CCC[C@H](NCC(=O)NC(C1CC1)C1CC1)c1ccccc1 ZINC000180036207 1019986590 /nfs/dbraw/zinc/98/65/90/1019986590.db2.gz IKRJOQPWYRGJLJ-SFHVURJKSA-N 0 3 312.457 3.588 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(Cl)c1 ZINC000318125783 1020026951 /nfs/dbraw/zinc/02/69/51/1020026951.db2.gz MQKWEVKPQPNTJR-KBAYOESNSA-N 0 3 318.848 3.727 20 30 DHEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1O ZINC000154373875 1020101212 /nfs/dbraw/zinc/10/12/12/1020101212.db2.gz FXPJNDZHWWBGCX-UHFFFAOYSA-N 0 3 310.397 3.683 20 30 DHEDHN N#Cc1ccc(CNC[C@H](O)c2ccc3ccccc3c2)s1 ZINC000176966271 1020119812 /nfs/dbraw/zinc/11/98/12/1020119812.db2.gz ODLHWIIRMNIJHV-SFHVURJKSA-N 0 3 308.406 3.596 20 30 DHEDHN COc1ccc(C2(NCc3ccc(O[C@H](C)C#N)cc3)CC2)cc1 ZINC000731678569 1020136841 /nfs/dbraw/zinc/13/68/41/1020136841.db2.gz QILFBVXAXLFPBL-OAHLLOKOSA-N 0 3 322.408 3.765 20 30 DHEDHN C(#Cc1ccccc1)CNC[C@H](c1cccs1)N1CCCC1 ZINC000892424602 1020205843 /nfs/dbraw/zinc/20/58/43/1020205843.db2.gz GBJLXECPPKVXOQ-GOSISDBHSA-N 0 3 310.466 3.526 20 30 DHEDHN COc1cc(CN(Cc2ccc(C#N)cc2C)C2CC2)ccc1O ZINC000186314756 1020235495 /nfs/dbraw/zinc/23/54/95/1020235495.db2.gz MWBDWFMFDOJAIQ-UHFFFAOYSA-N 0 3 322.408 3.746 20 30 DHEDHN C#CCN(CC(C)C)[C@H]1CCOc2ccc(Br)cc21 ZINC000733197494 1020343036 /nfs/dbraw/zinc/34/30/36/1020343036.db2.gz RELFZRRPDNUMPL-HNNXBMFYSA-N 0 3 322.246 3.864 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(C(C)(C)O)cc2)cc1 ZINC000186612404 1020342512 /nfs/dbraw/zinc/34/25/12/1020342512.db2.gz SABICDOBXPZKEW-MRXNPFEDSA-N 0 3 323.436 3.777 20 30 DHEDHN N#Cc1ccc(CNCc2ccnc(N3CCCCCC3)c2)cc1 ZINC000107322303 1020462349 /nfs/dbraw/zinc/46/23/49/1020462349.db2.gz NHISCEUPSLKVPM-UHFFFAOYSA-N 0 3 320.440 3.623 20 30 DHEDHN C=CCOCCCN(C)Cc1ccc(Br)s1 ZINC000347967639 1020468148 /nfs/dbraw/zinc/46/81/48/1020468148.db2.gz PTFGCDFGTMIREJ-UHFFFAOYSA-N 0 3 304.253 3.535 20 30 DHEDHN C=CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000766022000 1020470519 /nfs/dbraw/zinc/47/05/19/1020470519.db2.gz VRGUTIJMBUQKCC-WMLDXEAASA-N 0 3 310.397 3.821 20 30 DHEDHN C=CC[C@@H]1CCCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC001171840549 1032904590 /nfs/dbraw/zinc/90/45/90/1032904590.db2.gz FDCFMMXMEABOSN-PBHICJAKSA-N 0 3 318.848 3.733 20 30 DHEDHN CC(C)SCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000734081662 1020556984 /nfs/dbraw/zinc/55/69/84/1020556984.db2.gz QAJAGDOKCCBBFD-LBPRGKRZSA-N 0 3 317.439 3.523 20 30 DHEDHN CC(C)SCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000734081659 1020557374 /nfs/dbraw/zinc/55/73/74/1020557374.db2.gz QAJAGDOKCCBBFD-GFCCVEGCSA-N 0 3 317.439 3.523 20 30 DHEDHN Cc1ccc([C@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000359956769 1020573225 /nfs/dbraw/zinc/57/32/25/1020573225.db2.gz FLSMYYVYVIMHAT-SFHVURJKSA-N 0 3 316.408 3.504 20 30 DHEDHN C=CC[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccncc1 ZINC000734510440 1020618141 /nfs/dbraw/zinc/61/81/41/1020618141.db2.gz VBMZRYFFGPPQOD-KXBFYZLASA-N 0 3 307.397 3.779 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc(Cl)c3)nc21 ZINC000735787736 1020766760 /nfs/dbraw/zinc/76/67/60/1020766760.db2.gz FBQZUNWUYFRYLR-CQSZACIVSA-N 0 3 323.783 3.944 20 30 DHEDHN CCCCCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001267544389 1020835659 /nfs/dbraw/zinc/83/56/59/1020835659.db2.gz XRQIFDHYDHNNBL-MJGOQNOKSA-N 0 3 316.489 3.984 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OC3CCCCC3)nc2)C1 ZINC000613254686 1020875364 /nfs/dbraw/zinc/87/53/64/1020875364.db2.gz QYOUQJLAVJMEBL-WBVHZDCISA-N 0 3 313.445 3.965 20 30 DHEDHN Cc1ccccc1[C@H](NCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000581315978 1020879933 /nfs/dbraw/zinc/87/99/33/1020879933.db2.gz CASSBYLDLSRJOF-HXUWFJFHSA-N 0 3 316.408 3.755 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(C)c(OC)c2)cc1 ZINC000177986210 1020880545 /nfs/dbraw/zinc/88/05/45/1020880545.db2.gz DVUYCQBWFFZGOV-MRXNPFEDSA-N 0 3 309.409 3.866 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3cccs3)nc21 ZINC000739192764 1020900821 /nfs/dbraw/zinc/90/08/21/1020900821.db2.gz PJGPUTLJKOEPLQ-NWDGAFQWSA-N 0 3 309.394 3.913 20 30 DHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H](C)c3cccs3)[nH]c21 ZINC000739192764 1020900823 /nfs/dbraw/zinc/90/08/23/1020900823.db2.gz PJGPUTLJKOEPLQ-NWDGAFQWSA-N 0 3 309.394 3.913 20 30 DHEDHN Cc1ccccc1[C@@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000180152584 1020953880 /nfs/dbraw/zinc/95/38/80/1020953880.db2.gz SJKJVYJCOYTYCB-IBGZPJMESA-N 0 3 316.408 3.852 20 30 DHEDHN CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CCCCN2C2CC2)n1 ZINC000617976652 1021200833 /nfs/dbraw/zinc/20/08/33/1021200833.db2.gz HZBOMVZHMPLHDG-INIZCTEOSA-N 0 3 312.461 3.680 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743842586 1021370623 /nfs/dbraw/zinc/37/06/23/1021370623.db2.gz HRQIOXOWNFSQJJ-NRFANRHFSA-N 0 3 320.436 3.897 20 30 DHEDHN C#CC[C@@H](NCc1ccc(O[C@@H](C)COC)cc1)c1ccccc1 ZINC000850225957 1021445145 /nfs/dbraw/zinc/44/51/45/1021445145.db2.gz IRFZRCIQXXKWTC-LAUBAEHRSA-N 0 3 323.436 3.955 20 30 DHEDHN C#CC[C@H](NCc1ccc(O[C@H](C)COC)cc1)c1ccccc1 ZINC000850225958 1021445575 /nfs/dbraw/zinc/44/55/75/1021445575.db2.gz IRFZRCIQXXKWTC-UTKZUKDTSA-N 0 3 323.436 3.955 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3cccc(F)c3)nc21 ZINC000744161377 1021453466 /nfs/dbraw/zinc/45/34/66/1021453466.db2.gz TUKYODIXGQCBTG-WFASDCNBSA-N 0 3 321.355 3.990 20 30 DHEDHN CCOc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c([O-])c1 ZINC000850355404 1021483764 /nfs/dbraw/zinc/48/37/64/1021483764.db2.gz HYPLRFDFPIJWRV-UHFFFAOYSA-N 0 3 310.397 3.687 20 30 DHEDHN C#CCOc1ccccc1CNCc1cccc2cnccc21 ZINC000782959392 1021489031 /nfs/dbraw/zinc/48/90/31/1021489031.db2.gz IAGQBSJDJMTKLN-UHFFFAOYSA-N 0 3 302.377 3.537 20 30 DHEDHN N#CC1(c2ccc(CN[C@H]3C[C@H](O)c4ccccc43)cc2)CC1 ZINC000850372917 1021497395 /nfs/dbraw/zinc/49/73/95/1021497395.db2.gz BEQXKDOJGIMHMT-OALUTQOASA-N 0 3 304.393 3.510 20 30 DHEDHN CC(C)(C#N)c1ccc(CN[C@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850373608 1021497746 /nfs/dbraw/zinc/49/77/46/1021497746.db2.gz ICKKFKMRRXNQSG-OALUTQOASA-N 0 3 306.409 3.756 20 30 DHEDHN CC(C)N(C)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618741285 1021502437 /nfs/dbraw/zinc/50/24/37/1021502437.db2.gz DFEZJYJWICGNDW-IBGZPJMESA-N 0 3 320.440 3.575 20 30 DHEDHN CC(C)[C@@H](NCc1ccc(C#N)o1)[C@H](O)c1ccc(Cl)cc1 ZINC000850413854 1021519568 /nfs/dbraw/zinc/51/95/68/1021519568.db2.gz UKFQVTAMMGCUAN-IAGOWNOFSA-N 0 3 318.804 3.652 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)COC2 ZINC000618805364 1021532323 /nfs/dbraw/zinc/53/23/23/1021532323.db2.gz NTJJRCJNUZGQQX-ZUOKHONESA-N 0 3 304.393 3.927 20 30 DHEDHN C=CC[C@@H](CO)CNCc1cc(C(F)(F)F)ccc1Cl ZINC000538124904 1032989204 /nfs/dbraw/zinc/98/92/04/1032989204.db2.gz QYYLIVAJXLBHJM-SNVBAGLBSA-N 0 3 307.743 3.633 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850530081 1021581665 /nfs/dbraw/zinc/58/16/65/1021581665.db2.gz WXYLYUNJENPRGN-PNHOKKKMSA-N 0 3 307.393 3.528 20 30 DHEDHN N#CC(C(=O)C1[C@H]2CCCCCC[C@H]12)c1nc2ccccc2[nH]1 ZINC000850739141 1021634445 /nfs/dbraw/zinc/63/44/45/1021634445.db2.gz STAXOLVAEXJLTA-MELADBBJSA-N 0 3 307.397 3.956 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000850739139 1021634743 /nfs/dbraw/zinc/63/47/43/1021634743.db2.gz SOJBIQNNMIVWQB-UONOGXRCSA-N 0 3 307.397 3.720 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1 ZINC000850760880 1021641922 /nfs/dbraw/zinc/64/19/22/1021641922.db2.gz FDIGWFRORJYXQV-SWLSCSKDSA-N 0 3 304.365 3.597 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC2(C#N)CCCCC2)c1 ZINC000850757950 1021641946 /nfs/dbraw/zinc/64/19/46/1021641946.db2.gz VPHOMZSCUVVUEB-MRXNPFEDSA-N 0 3 323.396 3.507 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cc2c(cc1O)CCC2 ZINC000745162236 1021673072 /nfs/dbraw/zinc/67/30/72/1021673072.db2.gz KWZDWUVGQWYLQQ-UHFFFAOYSA-N 0 3 318.420 3.941 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c(Cl)c1 ZINC000615229114 1021715040 /nfs/dbraw/zinc/71/50/40/1021715040.db2.gz LMGRWOSFPOXZRC-CVEARBPZSA-N 0 3 318.848 3.850 20 30 DHEDHN N#CC(C(=O)c1ccc(CF)cc1)c1nc(C2CC2)cs1 ZINC000851100891 1021738848 /nfs/dbraw/zinc/73/88/48/1021738848.db2.gz QJPBSVWPAVIQDZ-CYBMUJFWSA-N 0 3 300.358 3.980 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000728711538 1021846169 /nfs/dbraw/zinc/84/61/69/1021846169.db2.gz DRZRJVNJJSPWCP-CABCVRRESA-N 0 3 310.397 3.837 20 30 DHEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc(C#N)cc1 ZINC000728711567 1021860183 /nfs/dbraw/zinc/86/01/83/1021860183.db2.gz GFBKSOKRAUCMFF-LSDHHAIUSA-N 0 3 305.381 3.700 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000728711854 1021879048 /nfs/dbraw/zinc/87/90/48/1021879048.db2.gz NKGRGTRATLVAQY-DJJJIMSYSA-N 0 3 310.372 3.894 20 30 DHEDHN CC(C)(C)O[C@@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000155105550 1021924310 /nfs/dbraw/zinc/92/43/10/1021924310.db2.gz VMCPJKOKHSEBMV-CRAIPNDOSA-N 0 3 308.381 3.814 20 30 DHEDHN N#CCOc1ccc(CN[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000183210270 1022035693 /nfs/dbraw/zinc/03/56/93/1022035693.db2.gz IIBMTGJNNVQMFD-IBGZPJMESA-N 0 3 310.372 3.895 20 30 DHEDHN CCCCCCCCCN1CCN(Cc2cccnc2)CC1 ZINC001168871534 1022158638 /nfs/dbraw/zinc/15/86/38/1022158638.db2.gz BAOQDBODFHUVSE-UHFFFAOYSA-N 0 3 303.494 3.950 20 30 DHEDHN Fc1ccc(C#CCN2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000153844713 1022257027 /nfs/dbraw/zinc/25/70/27/1022257027.db2.gz NXDJDSULECPALT-FQEVSTJZSA-N 0 3 323.411 3.716 20 30 DHEDHN C=CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@H](C)COC ZINC000853532984 1022287595 /nfs/dbraw/zinc/28/75/95/1022287595.db2.gz RJHFBOWMKAPQCV-CQSZACIVSA-N 0 3 315.413 3.577 20 30 DHEDHN C=CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@H](C)COC ZINC000853532984 1022287602 /nfs/dbraw/zinc/28/76/02/1022287602.db2.gz RJHFBOWMKAPQCV-CQSZACIVSA-N 0 3 315.413 3.577 20 30 DHEDHN CC(C)(CCC#N)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154325310 1022296047 /nfs/dbraw/zinc/29/60/47/1022296047.db2.gz QDKAITKPQKYETQ-UHFFFAOYSA-N 0 3 301.390 3.889 20 30 DHEDHN CC[C@H]1c2ccccc2CCN1CCOc1ccccc1C#N ZINC000609625757 1022318038 /nfs/dbraw/zinc/31/80/38/1022318038.db2.gz YUKFZXXQTDJYCZ-IBGZPJMESA-N 0 3 306.409 3.946 20 30 DHEDHN C=CCN1CCC(c2nccc(-c3ccccc3OC)n2)CC1 ZINC000854096635 1022404060 /nfs/dbraw/zinc/40/40/60/1022404060.db2.gz UYFQKHBGVCIEGX-UHFFFAOYSA-N 0 3 309.413 3.518 20 30 DHEDHN N#Cc1ccc2c(c1)CCN([C@H]1CSc3ccccc3C1)C2 ZINC001172195241 1033054254 /nfs/dbraw/zinc/05/42/54/1033054254.db2.gz GUNCBTFRIGTFPT-GOSISDBHSA-N 0 3 306.434 3.633 20 30 DHEDHN CCN(CC)C(=O)C[C@@H](C)N(CCC#N)C1CCCCCCC1 ZINC001169473524 1022423564 /nfs/dbraw/zinc/42/35/64/1022423564.db2.gz FNNKWLFGECZRCJ-QGZVFWFLSA-N 0 3 321.509 3.962 20 30 DHEDHN Cc1ccc(CN2CCC([C@H](O)c3ccccc3)CC2)cc1C#N ZINC000859062167 1033056921 /nfs/dbraw/zinc/05/69/21/1033056921.db2.gz OSRXWCBQLDDEKT-OAQYLSRUSA-N 0 3 320.436 3.812 20 30 DHEDHN CS[C@@H](C)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000103330751 1022505400 /nfs/dbraw/zinc/50/54/00/1022505400.db2.gz ALPRSMBAMIJAMA-IONNQARKSA-N 0 3 310.831 3.877 20 30 DHEDHN C#CCCOc1ccc(CN2CCC[C@H]2c2cccn2C)cc1 ZINC000179707614 1022512115 /nfs/dbraw/zinc/51/21/15/1022512115.db2.gz OBFGIZVGYQCZPV-FQEVSTJZSA-N 0 3 308.425 3.764 20 30 DHEDHN C=C[C@@H](N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1 ZINC001169757553 1022533084 /nfs/dbraw/zinc/53/30/84/1022533084.db2.gz QLUXLUXHCFZZCO-WOJBJXKFSA-N 0 3 320.436 3.808 20 30 DHEDHN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)C(C)C ZINC000120265783 1022620516 /nfs/dbraw/zinc/62/05/16/1022620516.db2.gz CEIKDTRBKAQJID-LBPRGKRZSA-N 0 3 307.825 3.517 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000113311294 1022626482 /nfs/dbraw/zinc/62/64/82/1022626482.db2.gz YKZIFGQPIDIQDU-CYBMUJFWSA-N 0 3 301.336 3.828 20 30 DHEDHN CC[C@H](C#N)Oc1cc(CNCc2cccs2)ccc1OC ZINC000113347768 1022635320 /nfs/dbraw/zinc/63/53/20/1022635320.db2.gz NLYHTRJVBPTOMI-CQSZACIVSA-N 0 3 316.426 3.727 20 30 DHEDHN C[C@@H]1CC2(CN1Cc1cc(Cl)cc(C#N)c1)CCOCC2 ZINC000930823907 1022711630 /nfs/dbraw/zinc/71/16/30/1022711630.db2.gz YJZBDTIERXMBJQ-CYBMUJFWSA-N 0 3 304.821 3.603 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3c[nH]nc3c2)c1 ZINC000113961003 1022764617 /nfs/dbraw/zinc/76/46/17/1022764617.db2.gz ZQXITSSNOIHYCM-QGZVFWFLSA-N 0 3 320.396 3.534 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc3c[nH]nc3c2)c1 ZINC000113961001 1022764965 /nfs/dbraw/zinc/76/49/65/1022764965.db2.gz ZQXITSSNOIHYCM-KRWDZBQOSA-N 0 3 320.396 3.534 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(N(C)C)cc2)c1 ZINC000113961755 1022765335 /nfs/dbraw/zinc/76/53/35/1022765335.db2.gz TXWOVGKRUUAIPQ-IBGZPJMESA-N 0 3 323.440 3.723 20 30 DHEDHN C=CCCCNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000584819453 1022772633 /nfs/dbraw/zinc/77/26/33/1022772633.db2.gz FRAHJPYUXUQHNH-UHFFFAOYSA-N 0 3 302.399 3.595 20 30 DHEDHN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1c([O-])cccc1OC ZINC000768485704 1022970867 /nfs/dbraw/zinc/97/08/67/1022970867.db2.gz XMZZYZPQUAKJDS-UHFFFAOYSA-N 0 3 310.397 3.685 20 30 DHEDHN CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c([O-])cccc1OC ZINC000768485704 1022970871 /nfs/dbraw/zinc/97/08/71/1022970871.db2.gz XMZZYZPQUAKJDS-UHFFFAOYSA-N 0 3 310.397 3.685 20 30 DHEDHN CC[N@H+](Cc1c([O-])cccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000768514929 1022984992 /nfs/dbraw/zinc/98/49/92/1022984992.db2.gz MMKRBJBOVXBUOU-AWEZNQCLSA-N 0 3 310.397 3.856 20 30 DHEDHN CC[N@@H+](Cc1c([O-])cccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000768514929 1022984999 /nfs/dbraw/zinc/98/49/99/1022984999.db2.gz MMKRBJBOVXBUOU-AWEZNQCLSA-N 0 3 310.397 3.856 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)n1c2ccccc2nc1[C@H](C)N ZINC001172290964 1033095840 /nfs/dbraw/zinc/09/58/40/1033095840.db2.gz UMDMGVWADJETJW-KGLIPLIRSA-N 0 3 304.397 3.731 20 30 DHEDHN COc1cccc(F)c1[C@H](C)N[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172295668 1033102067 /nfs/dbraw/zinc/10/20/67/1033102067.db2.gz CWRTZPXPSBTPQM-KBPBESRZSA-N 0 3 312.388 3.988 20 30 DHEDHN N#Cc1csc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000769240862 1023105831 /nfs/dbraw/zinc/10/58/31/1023105831.db2.gz HAAODWICBQQSNA-QZTJIDSGSA-N 0 3 312.438 3.708 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@]3(CC3(F)F)C2)ccc1OC ZINC000652063045 1023113467 /nfs/dbraw/zinc/11/34/67/1023113467.db2.gz CDYARAJYHWUHCK-KRWDZBQOSA-N 0 3 323.383 3.881 20 30 DHEDHN C#CCOc1ccccc1CN1CCCO[C@@H](c2ccccc2)C1 ZINC000769316346 1023120995 /nfs/dbraw/zinc/12/09/95/1023120995.db2.gz OCNCJYJYGCNJBM-OAQYLSRUSA-N 0 3 321.420 3.662 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 ZINC000876617312 1033107119 /nfs/dbraw/zinc/10/71/19/1033107119.db2.gz KCYDIOJDBAWDEJ-TZMCWYRMSA-N 0 3 320.820 3.812 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC000876671347 1033119594 /nfs/dbraw/zinc/11/95/94/1033119594.db2.gz MPCDOAIXLXIJAF-IAGOWNOFSA-N 0 3 320.864 3.909 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000876688959 1033123290 /nfs/dbraw/zinc/12/32/90/1033123290.db2.gz QJEJHYFYPXQYEB-LBPRGKRZSA-N 0 3 320.742 3.590 20 30 DHEDHN C#CCCCN1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000772327255 1023548216 /nfs/dbraw/zinc/54/82/16/1023548216.db2.gz ZMSIHNAHKLIHKD-UHFFFAOYSA-N 0 3 302.468 3.952 20 30 DHEDHN C=CCN(CC1CCCCC1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001126063360 1023557832 /nfs/dbraw/zinc/55/78/32/1023557832.db2.gz OSPFYEPUPCNPOL-IBGZPJMESA-N 0 3 324.484 3.794 20 30 DHEDHN CCCCCCC[C@@H](CC)N1CCC[C@H](S(C)(=O)=O)C1 ZINC001172362151 1033141989 /nfs/dbraw/zinc/14/19/89/1033141989.db2.gz SSSCEZFJDHUBFV-CVEARBPZSA-N 0 3 303.512 3.635 20 30 DHEDHN C=CCc1cc(CN2CCC[C@@H](OC(C)C)C2)cc(OC)c1O ZINC000651897728 1023621368 /nfs/dbraw/zinc/62/13/68/1023621368.db2.gz JEHSOUKHPLUBSC-QGZVFWFLSA-N 0 3 319.445 3.519 20 30 DHEDHN C=CCC1(NCc2nnc(-c3ccc(OC)cc3)o2)CCCC1 ZINC000661848542 1023777681 /nfs/dbraw/zinc/77/76/81/1023777681.db2.gz FTNQZTMZDVIKEF-UHFFFAOYSA-N 0 3 313.401 3.724 20 30 DHEDHN Clc1ccc(C#CCN2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000661873196 1023791584 /nfs/dbraw/zinc/79/15/84/1023791584.db2.gz FNZOOKOLVVVAFJ-HKUYNNGSSA-N 0 3 317.860 3.973 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000787769764 1023820418 /nfs/dbraw/zinc/82/04/18/1023820418.db2.gz IKHZXDWGHIJNKC-FQEVSTJZSA-N 0 3 323.436 3.548 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CCC(O)(CC)CC)c([O-])c1 ZINC000788284649 1023870119 /nfs/dbraw/zinc/87/01/19/1023870119.db2.gz LMQXPUZCKMGULI-XMHGGMMESA-N 0 3 306.450 3.599 20 30 DHEDHN C=CCCCN(C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789327023 1024050227 /nfs/dbraw/zinc/05/02/27/1024050227.db2.gz OXCSXGHZNQRCII-QGZVFWFLSA-N 0 3 300.446 3.615 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000562049049 1024082776 /nfs/dbraw/zinc/08/27/76/1024082776.db2.gz DYOUQUSWWLKJTP-HNNXBMFYSA-N 0 3 306.837 3.991 20 30 DHEDHN C#CCn1ccc(CN(CC)C[C@H](CCC)c2ccccc2)n1 ZINC000789759563 1024158329 /nfs/dbraw/zinc/15/83/29/1024158329.db2.gz VSRIGIQDGFUKGO-IBGZPJMESA-N 0 3 309.457 3.922 20 30 DHEDHN COCc1c(C)cc(C)c(CNCc2ccc(C#N)cc2)c1C ZINC000882896214 1024164847 /nfs/dbraw/zinc/16/48/47/1024164847.db2.gz CQVHNAWHOCZKSA-UHFFFAOYSA-N 0 3 308.425 3.920 20 30 DHEDHN COCCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000268839192 1024174500 /nfs/dbraw/zinc/17/45/00/1024174500.db2.gz ZBORVMQYNRHEHK-HOTGVXAUSA-N 0 3 324.424 3.995 20 30 DHEDHN COc1ccc(-c2nc(CN[C@@H](C)CCCC#N)cs2)cc1 ZINC001172483220 1033195042 /nfs/dbraw/zinc/19/50/42/1033195042.db2.gz NODPLXSONBRQAZ-ZDUSSCGKSA-N 0 3 315.442 3.991 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2ccoc2C)cc1 ZINC000128604509 1024248109 /nfs/dbraw/zinc/24/81/09/1024248109.db2.gz NOTSHUQORGEUNW-QGZVFWFLSA-N 0 3 324.380 3.892 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OC)c(COCC)c2)cc1 ZINC000883132101 1024252362 /nfs/dbraw/zinc/25/23/62/1024252362.db2.gz GDMMGTAKDJDBJA-UHFFFAOYSA-N 0 3 309.409 3.503 20 30 DHEDHN N#CCCC[C@H](NCc1ccc2oc(=O)oc2c1)c1ccccc1 ZINC000883130396 1024252908 /nfs/dbraw/zinc/25/29/08/1024252908.db2.gz CNYICGRYKNBIET-INIZCTEOSA-N 0 3 322.364 3.911 20 30 DHEDHN N#CCCC[C@@H](NCc1ccc2oc(=O)oc2c1)c1ccccc1 ZINC000883130397 1024253673 /nfs/dbraw/zinc/25/36/73/1024253673.db2.gz CNYICGRYKNBIET-MRXNPFEDSA-N 0 3 322.364 3.911 20 30 DHEDHN C=CCC[C@H](NCc1noc2cc(F)ccc21)[C@@H]1CCCO1 ZINC000883243271 1024312934 /nfs/dbraw/zinc/31/29/34/1024312934.db2.gz GSPLMEWKROOJJF-HOCLYGCPSA-N 0 3 304.365 3.570 20 30 DHEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)c1ccc(F)cc1 ZINC000877007270 1033205239 /nfs/dbraw/zinc/20/52/39/1033205239.db2.gz JTIXQFUVBKLKFV-UHFFFAOYSA-N 0 3 317.795 3.813 20 30 DHEDHN C=CC(C)(C)CCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000624037713 1024393470 /nfs/dbraw/zinc/39/34/70/1024393470.db2.gz DYCCBQPDHUFCAI-QGZVFWFLSA-N 0 3 301.409 3.841 20 30 DHEDHN C=C(C)[C@H](N[C@H](C)Cc1cnccn1)c1ccc(F)c(F)c1 ZINC000453197028 1024397022 /nfs/dbraw/zinc/39/70/22/1024397022.db2.gz MZZNZTXNHVAETO-PXAZEXFGSA-N 0 3 303.356 3.593 20 30 DHEDHN CO[C@](C)(CN[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000453323329 1024463428 /nfs/dbraw/zinc/46/34/28/1024463428.db2.gz PMHUMZOYNUCQMJ-IFXJQAMLSA-N 0 3 312.388 3.910 20 30 DHEDHN COc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1Cl ZINC000132293916 1024468138 /nfs/dbraw/zinc/46/81/38/1024468138.db2.gz VSCGAKUTXIOWNX-UHFFFAOYSA-N 0 3 316.788 3.519 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000453345645 1024472525 /nfs/dbraw/zinc/47/25/25/1024472525.db2.gz GDOAYNUDASDWHM-WQAKAFBOSA-N 0 3 317.763 3.936 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453355380 1024479018 /nfs/dbraw/zinc/47/90/18/1024479018.db2.gz LKIAMZQDMPJWEJ-KYNGSXCRSA-N 0 3 310.397 3.868 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1F)N1CCC[C@@]2(CCSC2)C1 ZINC000453378228 1024497717 /nfs/dbraw/zinc/49/77/17/1024497717.db2.gz VVQOQNKVHOWHPY-SUMWQHHRSA-N 0 3 304.434 3.977 20 30 DHEDHN CC(C)OCC[C@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172460925 1033215203 /nfs/dbraw/zinc/21/52/03/1033215203.db2.gz QXUQSFSJMMDNOU-INIZCTEOSA-N 0 3 318.436 3.886 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000453395097 1024511699 /nfs/dbraw/zinc/51/16/99/1024511699.db2.gz WUPILBVWIJJYMO-LJQANCHMSA-N 0 3 305.356 3.736 20 30 DHEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(C#N)cc1F ZINC000271546588 1024537275 /nfs/dbraw/zinc/53/72/75/1024537275.db2.gz UAQAFEYBLUSVRV-XIKOKIGWSA-N 0 3 316.351 3.702 20 30 DHEDHN N#Cc1csc(CN2CCC3(CC2)OCCc2ccccc23)c1 ZINC000453575672 1024540524 /nfs/dbraw/zinc/54/05/24/1024540524.db2.gz LEPAEJJWSPSYTM-UHFFFAOYSA-N 0 3 324.449 3.684 20 30 DHEDHN C#CC[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000271585263 1024545221 /nfs/dbraw/zinc/54/52/21/1024545221.db2.gz XLSXWAGPIVTAHI-YJBOKZPZSA-N 0 3 307.393 3.873 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000274261985 1024566698 /nfs/dbraw/zinc/56/66/98/1024566698.db2.gz CHBMIJXONSLFMR-KVSKMBFKSA-N 0 3 312.457 3.732 20 30 DHEDHN C[C@@H]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000655729452 1024606237 /nfs/dbraw/zinc/60/62/37/1024606237.db2.gz ALJKCPXBFBIWSQ-DOMZBBRYSA-N 0 3 313.388 3.931 20 30 DHEDHN Cc1nc(C)c([C@H](C)N(C)CCOc2ccccc2C#N)s1 ZINC000106877675 1024606691 /nfs/dbraw/zinc/60/66/91/1024606691.db2.gz NPUHWDOBBXOZCC-ZDUSSCGKSA-N 0 3 315.442 3.703 20 30 DHEDHN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H](C)CCCC#N ZINC001172496774 1033226053 /nfs/dbraw/zinc/22/60/53/1033226053.db2.gz QLJOHBNGIWEDKM-HOTGVXAUSA-N 0 3 323.481 3.646 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1F ZINC000792246431 1024652695 /nfs/dbraw/zinc/65/26/95/1024652695.db2.gz IIYWSGOOXDPKSI-UXHICEINSA-N 0 3 324.399 3.785 20 30 DHEDHN C[C@@H](CCCC#N)N1CCCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001172496807 1033226694 /nfs/dbraw/zinc/22/66/94/1033226694.db2.gz RJVIJZXDFDRSLF-HNNXBMFYSA-N 0 3 321.465 3.544 20 30 DHEDHN C[C@H](CCCC#N)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001172500381 1033229346 /nfs/dbraw/zinc/22/93/46/1033229346.db2.gz NCAQJZRDFFUFQP-UGUYLWEFSA-N 0 3 306.450 3.511 20 30 DHEDHN N#Cc1ccc(CNc2ccc(F)c(CN3CCCC3)c2)s1 ZINC001170202417 1024701831 /nfs/dbraw/zinc/70/18/31/1024701831.db2.gz YFAFSDZWSLZDKB-UHFFFAOYSA-N 0 3 315.417 3.967 20 30 DHEDHN CC[C@H]1C[C@@H](N2CCC(C#N)(c3ccccc3F)CC2)CCO1 ZINC001170246371 1024709126 /nfs/dbraw/zinc/70/91/26/1024709126.db2.gz UECSCORPOMHWOD-HOTGVXAUSA-N 0 3 316.420 3.640 20 30 DHEDHN CC(C)O[C@@H]1C[C@@H](NCC#Cc2ccccc2Cl)C1(C)C ZINC001307778619 1024751346 /nfs/dbraw/zinc/75/13/46/1024751346.db2.gz OMARNRDGOINRBQ-IAGOWNOFSA-N 0 3 305.849 3.873 20 30 DHEDHN CCCc1cc(CN)nn1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170364897 1024755690 /nfs/dbraw/zinc/75/56/90/1024755690.db2.gz KSWAMVJPRJZKGD-UHFFFAOYSA-N 0 3 322.456 3.871 20 30 DHEDHN CC(C)(C)[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000054396974 1024768596 /nfs/dbraw/zinc/76/85/96/1024768596.db2.gz SOGRTLLUKAFNOF-LJQANCHMSA-N 0 3 321.424 3.874 20 30 DHEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc2c(c1)CCO2 ZINC000897419253 1024792208 /nfs/dbraw/zinc/79/22/08/1024792208.db2.gz ACAQOXJIDYAUNX-LSDHHAIUSA-N 0 3 322.408 3.763 20 30 DHEDHN CCS[C@@H]1CCC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877082746 1033234537 /nfs/dbraw/zinc/23/45/37/1033234537.db2.gz BONOGZDZZVMCOV-UONOGXRCSA-N 0 3 309.866 3.761 20 30 DHEDHN CCCCCCCC[C@@H](CC)N1CC[C@H](S(C)(=O)=O)C1 ZINC001172505498 1033234881 /nfs/dbraw/zinc/23/48/81/1033234881.db2.gz OEVHIHLYDQCHJI-CVEARBPZSA-N 0 3 303.512 3.635 20 30 DHEDHN C[C@H](CCC#N)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000350733138 1024847741 /nfs/dbraw/zinc/84/77/41/1024847741.db2.gz XQVFZXONWRFXQD-GDBMZVCRSA-N 0 3 315.465 3.724 20 30 DHEDHN CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1c(C)nn(C)c1C ZINC000353266986 1025009203 /nfs/dbraw/zinc/00/92/03/1025009203.db2.gz KHYIYTWRGQGVKX-ZWKOTPCHSA-N 0 3 308.429 3.637 20 30 DHEDHN N#Cc1ccc(Cl)cc1NC(=O)CN(C1CC1)C1CCCC1 ZINC000103466535 1025037992 /nfs/dbraw/zinc/03/79/92/1025037992.db2.gz BACLDVDYDNXYLB-UHFFFAOYSA-N 0 3 317.820 3.557 20 30 DHEDHN C=CCCn1cc(CN[C@H]2CCCC[C@H]2c2ccccc2)nn1 ZINC000653622527 1025059605 /nfs/dbraw/zinc/05/96/05/1025059605.db2.gz HMEMBCBWLHKQMD-OALUTQOASA-N 0 3 310.445 3.670 20 30 DHEDHN C[C@H](NC[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000353664300 1025188219 /nfs/dbraw/zinc/18/82/19/1025188219.db2.gz WAIFCSNQTXDDNY-ADLFWFRXSA-N 0 3 324.399 3.514 20 30 DHEDHN N#CCCC[C@@H](NCc1cnc2ccccn12)c1ccccc1 ZINC000353910811 1025288709 /nfs/dbraw/zinc/28/87/09/1025288709.db2.gz ADZZJTCAFYYIHW-GOSISDBHSA-N 0 3 304.397 3.859 20 30 DHEDHN C=CC(C)(C)CCCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000877303394 1033278501 /nfs/dbraw/zinc/27/85/01/1033278501.db2.gz FRMPZSNYMQVAPS-AWEZNQCLSA-N 0 3 323.868 3.542 20 30 DHEDHN N#CC1(C[C@H](O)CN2CCC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000885937897 1025411896 /nfs/dbraw/zinc/41/18/96/1025411896.db2.gz MKDORPFJLCRKAZ-DLBZAZTESA-N 0 3 318.848 3.922 20 30 DHEDHN N#CC(C(=O)c1cccc(OC2CCCCC2)c1)c1ccncn1 ZINC000354454916 1025434989 /nfs/dbraw/zinc/43/49/89/1025434989.db2.gz ASZMOAOAMHFFAF-KRWDZBQOSA-N 0 3 321.380 3.678 20 30 DHEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1C1CCCCC1 ZINC000354475165 1025440711 /nfs/dbraw/zinc/44/07/11/1025440711.db2.gz YCLIBOGOSJYOGG-QGZVFWFLSA-N 0 3 322.412 3.890 20 30 DHEDHN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCCCCC#N ZINC000237773053 1025466115 /nfs/dbraw/zinc/46/61/15/1025466115.db2.gz WJBLLWWEUWSQSK-UHFFFAOYSA-N 0 3 320.799 3.757 20 30 DHEDHN CN(C)[C@@H]1CCOc2c(Nc3ccccc3OCC#N)cccc21 ZINC001212603671 1025469000 /nfs/dbraw/zinc/46/90/00/1025469000.db2.gz LLTWTZTUFVWENB-QGZVFWFLSA-N 0 3 323.396 3.718 20 30 DHEDHN CC(C)(NC[C@@H](O)CC1(C#N)CCC1)c1cccc(Cl)c1F ZINC000886140537 1025528407 /nfs/dbraw/zinc/52/84/07/1025528407.db2.gz JQJPQDUSBHBXRW-LBPRGKRZSA-N 0 3 324.827 3.749 20 30 DHEDHN C=CC1CCN(CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000531650913 1025556786 /nfs/dbraw/zinc/55/67/86/1025556786.db2.gz RKPHJXNAMVIQDZ-HNNXBMFYSA-N 0 3 318.436 3.633 20 30 DHEDHN COc1ccc(CNCc2ccc(SC)c(C#N)c2)cc1C ZINC000886279124 1025581071 /nfs/dbraw/zinc/58/10/71/1025581071.db2.gz QDDVSYNCMUITHY-UHFFFAOYSA-N 0 3 312.438 3.887 20 30 DHEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000886355436 1025603754 /nfs/dbraw/zinc/60/37/54/1025603754.db2.gz IQZNACRBLLOARO-DLBZAZTESA-N 0 3 312.457 3.791 20 30 DHEDHN CCN(Cc1ccc2oc(=O)oc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000893950827 1025622514 /nfs/dbraw/zinc/62/25/14/1025622514.db2.gz BZAYXOMHLYGURA-CYBMUJFWSA-N 0 3 322.364 3.841 20 30 DHEDHN CC[C@@H](CC#N)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805929134 1025719555 /nfs/dbraw/zinc/71/95/55/1025719555.db2.gz VIQZFRGBYWSURH-KRWDZBQOSA-N 0 3 314.429 3.524 20 30 DHEDHN CC(C)[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000886626940 1025748062 /nfs/dbraw/zinc/74/80/62/1025748062.db2.gz ONGCFMGCEOZRTH-OALUTQOASA-N 0 3 308.429 3.656 20 30 DHEDHN N#CCSCCCN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133285375 1025770905 /nfs/dbraw/zinc/77/09/05/1025770905.db2.gz XTBFZBZNJUNQSM-CQSZACIVSA-N 0 3 324.877 3.830 20 30 DHEDHN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171616 1025801167 /nfs/dbraw/zinc/80/11/67/1025801167.db2.gz VJACCSZEGFZUJQ-IBGZPJMESA-N 0 3 322.456 3.867 20 30 DHEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000429895553 1025803611 /nfs/dbraw/zinc/80/36/11/1025803611.db2.gz LWPIAKMUTQLWFB-WBVHZDCISA-N 0 3 300.446 3.540 20 30 DHEDHN C[C@@H](c1ccc(Cl)cc1)N1CCN(CCCCC#N)CC1 ZINC000075863435 1025851000 /nfs/dbraw/zinc/85/10/00/1025851000.db2.gz YLJFKAIIOCYPQW-HNNXBMFYSA-N 0 3 305.853 3.712 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CCCO1 ZINC000356052779 1025930981 /nfs/dbraw/zinc/93/09/81/1025930981.db2.gz IEMXQQMEMHPDMG-AWEZNQCLSA-N 0 3 312.335 3.578 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H]([C@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000886816215 1025939416 /nfs/dbraw/zinc/93/94/16/1025939416.db2.gz PIOJQKTTYNDKNM-GOEBONIOSA-N 0 3 324.346 3.578 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1csc(-c2ccsc2)n1 ZINC000411640910 1026081871 /nfs/dbraw/zinc/08/18/71/1026081871.db2.gz LDUTYDUVZYHCNC-UHFFFAOYSA-N 0 3 321.515 3.811 20 30 DHEDHN CCN(Cc1cn2ccccc2c1C#N)[C@H]1CCOC(C)(C)C1 ZINC000289640063 1026111682 /nfs/dbraw/zinc/11/16/82/1026111682.db2.gz CYBFGVHNAIIHHN-INIZCTEOSA-N 0 3 311.429 3.590 20 30 DHEDHN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(N2CCCC2)n1 ZINC000289771873 1026169101 /nfs/dbraw/zinc/16/91/01/1026169101.db2.gz MEXCBOBXSONWFR-INIZCTEOSA-N 0 3 320.440 3.713 20 30 DHEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000419336177 1026180464 /nfs/dbraw/zinc/18/04/64/1026180464.db2.gz XASKUIWHYZUJFT-VQTJNVASSA-N 0 3 322.452 3.593 20 30 DHEDHN CCN(Cc1ccc(Cl)cc1C#N)[C@H]1CCOC(C)(C)C1 ZINC000289813882 1026186058 /nfs/dbraw/zinc/18/60/58/1026186058.db2.gz NSADVTGLHFELGU-INIZCTEOSA-N 0 3 306.837 3.991 20 30 DHEDHN CCOc1ccccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000067217288 1026197626 /nfs/dbraw/zinc/19/76/26/1026197626.db2.gz AKDBXGIIHWFXIG-UHFFFAOYSA-N 0 3 323.440 3.725 20 30 DHEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000808394242 1026276725 /nfs/dbraw/zinc/27/67/25/1026276725.db2.gz REEGPAKQOCZSDY-CQSZACIVSA-N 0 3 310.397 3.735 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1C)C[C@H]1COc2ccccc2O1 ZINC000614395984 1026290026 /nfs/dbraw/zinc/29/00/26/1026290026.db2.gz ILCYCFUZYJNTSB-SFHVURJKSA-N 0 3 322.408 3.529 20 30 DHEDHN COc1ccc2c(c1)CCCN(Cc1ccc(C#N)cc1C)C2 ZINC000614397252 1026291420 /nfs/dbraw/zinc/29/14/20/1026291420.db2.gz GDZMUGDASLUELC-UHFFFAOYSA-N 0 3 306.409 3.824 20 30 DHEDHN C#C[C@H](N[C@H]1CCCc2c3cc(C)ccc3[nH]c21)[C@H]1CCCO1 ZINC000808715916 1026365529 /nfs/dbraw/zinc/36/55/29/1026365529.db2.gz YTDIUDMCDLVLQO-YTQUADARSA-N 0 3 308.425 3.624 20 30 DHEDHN C#C[C@H](CC)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000809686315 1026593050 /nfs/dbraw/zinc/59/30/50/1026593050.db2.gz JSXSLXAECHQYNI-GFCCVEGCSA-N 0 3 300.383 3.825 20 30 DHEDHN C#C[C@H](NCc1ccc(NC(=O)OC(C)(C)C)nc1)C(C)(C)C ZINC000809782095 1026624352 /nfs/dbraw/zinc/62/43/52/1026624352.db2.gz IIDIEIYEUSBWPO-AWEZNQCLSA-N 0 3 317.433 3.566 20 30 DHEDHN CCN(C)c1ccccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000810217106 1026709649 /nfs/dbraw/zinc/70/96/49/1026709649.db2.gz WPLLKMQFCZBXQF-IBGZPJMESA-N 0 3 305.425 3.791 20 30 DHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1nccc2ccccc21 ZINC000810223886 1026712036 /nfs/dbraw/zinc/71/20/36/1026712036.db2.gz BQFXMANTKDXVND-HNNXBMFYSA-N 0 3 317.392 3.988 20 30 DHEDHN Cc1ccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000419831283 1026767814 /nfs/dbraw/zinc/76/78/14/1026767814.db2.gz HKFMRBWMMIZBNV-ZDUSSCGKSA-N 0 3 313.426 3.995 20 30 DHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc([S@](C)=O)cc1 ZINC000618804504 1026825047 /nfs/dbraw/zinc/82/50/47/1026825047.db2.gz ASSSBAFFHUZCOZ-NOQKTNJKSA-N 0 3 324.449 3.634 20 30 DHEDHN COCc1ccccc1/C=C(/C)CNCc1ccc(C#N)s1 ZINC000421354419 1026958868 /nfs/dbraw/zinc/95/88/68/1026958868.db2.gz WKLLXVAFJZZNPH-ZROIWOOFSA-N 0 3 312.438 3.959 20 30 DHEDHN C=CCCc1ccccc1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811495547 1027012397 /nfs/dbraw/zinc/01/23/97/1027012397.db2.gz DSLZDCYWKWUYFI-LJQANCHMSA-N 0 3 318.436 3.956 20 30 DHEDHN C#C[C@H](N[C@H](C)Cc1cccc(OC)n1)c1ccc(Cl)cc1 ZINC000811516875 1027018419 /nfs/dbraw/zinc/01/84/19/1027018419.db2.gz WYWAOSUKGRGFDS-DYVFJYSZSA-N 0 3 314.816 3.639 20 30 DHEDHN C#C[C@@H](N[C@@H]1CCc2c(cccc2OC)C1)c1ccc(F)cc1 ZINC000812792208 1027420536 /nfs/dbraw/zinc/42/05/36/1027420536.db2.gz PSPMVKIJHFNLOS-IEBWSBKVSA-N 0 3 309.384 3.656 20 30 DHEDHN C=CCN(C)Cc1cc(Br)cc(Br)c1 ZINC000575786298 1027501708 /nfs/dbraw/zinc/50/17/08/1027501708.db2.gz HWMWTECXZRCMDD-UHFFFAOYSA-N 0 3 319.040 3.829 20 30 DHEDHN C#CCC1(C(=O)Nc2cc(CN(C)C)ccc2C)CCCCC1 ZINC000788230433 1027506585 /nfs/dbraw/zinc/50/65/85/1027506585.db2.gz YYTCDVICBFGIOJ-UHFFFAOYSA-N 0 3 312.457 3.969 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H]1CCO[C@H](C)C1 ZINC000778177827 1027754188 /nfs/dbraw/zinc/75/41/88/1027754188.db2.gz XQZSDRJBJRWFKI-HUUCEWRRSA-N 0 3 321.848 3.647 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNC[C@H](C)c1nccs1 ZINC000778176245 1027767116 /nfs/dbraw/zinc/76/71/16/1027767116.db2.gz CADAFDURPLGRFD-LBPRGKRZSA-N 0 3 320.845 3.702 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000563215721 1027936014 /nfs/dbraw/zinc/93/60/14/1027936014.db2.gz PDGSATWCKMZTHR-GOSISDBHSA-N 0 3 321.380 3.674 20 30 DHEDHN CC(C)[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000008002968 1027960788 /nfs/dbraw/zinc/96/07/88/1027960788.db2.gz HCCUVPUJDGUHKA-KXBFYZLASA-N 0 3 321.424 3.872 20 30 DHEDHN CC(C)[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000008002973 1027961663 /nfs/dbraw/zinc/96/16/63/1027961663.db2.gz HCCUVPUJDGUHKA-DNVCBOLYSA-N 0 3 321.424 3.872 20 30 DHEDHN CC(C)[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000008002927 1027965298 /nfs/dbraw/zinc/96/52/98/1027965298.db2.gz LKPMYUXNBRQIQJ-MRXNPFEDSA-N 0 3 313.426 3.545 20 30 DHEDHN C=CC[C@H](C)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000116927420 1027983604 /nfs/dbraw/zinc/98/36/04/1027983604.db2.gz OIEAUYPRSJUFBZ-NSHDSACASA-N 0 3 320.234 3.893 20 30 DHEDHN Cn1nc2c(c1CN[C@@H](CCCC#N)c1ccccc1)CCCC2 ZINC000601123395 1027992558 /nfs/dbraw/zinc/99/25/58/1027992558.db2.gz BQBTVBXXTHNOCT-SFHVURJKSA-N 0 3 322.456 3.824 20 30 DHEDHN Cn1nc2c(c1CN[C@H](CCCC#N)c1ccccc1)CCCC2 ZINC000601123394 1027993869 /nfs/dbraw/zinc/99/38/69/1027993869.db2.gz BQBTVBXXTHNOCT-GOSISDBHSA-N 0 3 322.456 3.824 20 30 DHEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000934513747 1028027580 /nfs/dbraw/zinc/02/75/80/1028027580.db2.gz CJAVAPHNLRWHPJ-CYBMUJFWSA-N 0 3 324.346 3.522 20 30 DHEDHN COc1cccc2c1OCCC[C@H]2NCc1ccc(CC#N)cc1 ZINC000601283448 1028059813 /nfs/dbraw/zinc/05/98/13/1028059813.db2.gz ZVITVKPVYDHOKN-GOSISDBHSA-N 0 3 322.408 3.765 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CCO)c2ccc(Cl)c(F)c2)C1 ZINC000601288504 1028062221 /nfs/dbraw/zinc/06/22/21/1028062221.db2.gz ZIUHOEUWXNUPCQ-AXAPSJFSSA-N 0 3 310.800 3.575 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000578423401 1028148165 /nfs/dbraw/zinc/14/81/65/1028148165.db2.gz XZCOUCJTZLTGDX-KRWDZBQOSA-N 0 3 320.864 3.827 20 30 DHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(CF)cc1 ZINC001170768900 1028252747 /nfs/dbraw/zinc/25/27/47/1028252747.db2.gz JSPJPWMUYCLADI-UHFFFAOYSA-N 0 3 312.388 3.676 20 30 DHEDHN Cc1nn(C(C)(C)C)c(C)c1CNCc1ccc(CC#N)cc1 ZINC000578988269 1028293645 /nfs/dbraw/zinc/29/36/45/1028293645.db2.gz FZTMNGUYOZVLBX-UHFFFAOYSA-N 0 3 310.445 3.611 20 30 DHEDHN C[C@@H](NC[C@@H](O)c1cc2ccccc2o1)c1cccc(C#N)c1 ZINC000815083456 1028355420 /nfs/dbraw/zinc/35/54/20/1028355420.db2.gz ZPMKSRZSMGUFRO-CXAGYDPISA-N 0 3 306.365 3.689 20 30 DHEDHN CN1CCN(CC#Cc2ccc(Cl)cc2)CC12CCCCC2 ZINC000579609327 1028448079 /nfs/dbraw/zinc/44/80/79/1028448079.db2.gz UNOITRHCIPKHCI-UHFFFAOYSA-N 0 3 316.876 3.642 20 30 DHEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)C(C)(F)F ZINC000815922479 1028651500 /nfs/dbraw/zinc/65/15/00/1028651500.db2.gz PUAWMOWDHDVVDH-MWLCHTKSSA-N 0 3 321.352 3.673 20 30 DHEDHN COc1ccc(C(C)(C)NCc2ccc(CC#N)cc2)cc1F ZINC000528677734 1028658362 /nfs/dbraw/zinc/65/83/62/1028658362.db2.gz JYLWOLMFGXKEIX-UHFFFAOYSA-N 0 3 312.388 3.925 20 30 DHEDHN C[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)(F)F ZINC000815941593 1028659271 /nfs/dbraw/zinc/65/92/71/1028659271.db2.gz HQJPUURIBOFOEX-IONNQARKSA-N 0 3 312.316 3.903 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@H](OCC)[C@H](C)C2)cc1OC ZINC000449489752 1028699716 /nfs/dbraw/zinc/69/97/16/1028699716.db2.gz AXVDQJLNNNNHIN-NVXWUHKLSA-N 0 3 319.445 3.507 20 30 DHEDHN C[C@@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)(F)F ZINC000816067892 1028717305 /nfs/dbraw/zinc/71/73/05/1028717305.db2.gz CORYHMAAZRQIMB-DTWKUNHWSA-N 0 3 300.374 3.908 20 30 DHEDHN COc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041547726 1028748422 /nfs/dbraw/zinc/74/84/22/1028748422.db2.gz UJMCAOIKNZLCIL-HNNXBMFYSA-N 0 3 320.348 3.645 20 30 DHEDHN N#CCC[C@H](C#N)CNC(Cc1ccccc1)Cc1ccccc1 ZINC000567681369 1028940136 /nfs/dbraw/zinc/94/01/36/1028940136.db2.gz QLCALIPWKVQRQJ-HXUWFJFHSA-N 0 3 317.436 3.874 20 30 DHEDHN CC(C)c1ccc(C2(O)CCC(NC[C@@H](C)C#N)CC2)cc1 ZINC000816568485 1028949786 /nfs/dbraw/zinc/94/97/86/1028949786.db2.gz IARNAGKQBRFNMU-MNNVXMFVSA-N 0 3 300.446 3.689 20 30 DHEDHN C[C@@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]1C ZINC000816648505 1028971229 /nfs/dbraw/zinc/97/12/29/1028971229.db2.gz LJMSJZIGCQSEMI-HZPDHXFCSA-N 0 3 306.409 3.977 20 30 DHEDHN COc1ccc([C@@H](CO)N(C)CCC2(C#N)CCCCC2)cc1 ZINC000411271859 1029087660 /nfs/dbraw/zinc/08/76/60/1029087660.db2.gz RPLTXPRXVBKAMG-GOSISDBHSA-N 0 3 316.445 3.525 20 30 DHEDHN C=CCC[C@H](NCC(=O)N1CCCC[C@H]1C)c1ccccc1 ZINC000411479123 1029139102 /nfs/dbraw/zinc/13/91/02/1029139102.db2.gz YXDVIPSZMGSQJI-AEFFLSMTSA-N 0 3 300.446 3.685 20 30 DHEDHN COc1cc(Br)ccc1[C@@H](C)N[C@@H](C)CCC#N ZINC000411621326 1029173918 /nfs/dbraw/zinc/17/39/18/1029173918.db2.gz QZCOQIKNZZPCFH-WDEREUQCSA-N 0 3 311.223 3.801 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(Br)c1Cl ZINC000411782707 1029206036 /nfs/dbraw/zinc/20/60/36/1029206036.db2.gz FCYXQWSAWMCLGU-NEPJUHHUSA-N 0 3 316.626 3.536 20 30 DHEDHN CCCCCCN(C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000819737398 1029607186 /nfs/dbraw/zinc/60/71/86/1029607186.db2.gz XBJJWLQBVBDDJV-INIZCTEOSA-N 0 3 315.461 3.590 20 30 DHEDHN CCCN(CC1(C#N)CCC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000450931094 1029735583 /nfs/dbraw/zinc/73/55/83/1029735583.db2.gz YNNGDBSJAMGSGY-INIZCTEOSA-N 0 3 313.445 3.810 20 30 DHEDHN N=C(N[C@@H]1CCc2cccc(F)c2C1)c1ccc2ccccc2n1 ZINC001170960585 1029823134 /nfs/dbraw/zinc/82/31/34/1029823134.db2.gz DZMBTXGOIVFSAV-OAHLLOKOSA-N 0 3 319.383 3.637 20 30 DHEDHN C[C@H]1C[C@H](C(F)(F)F)CCN1CCOc1cccc(C#N)c1 ZINC000451405315 1029868260 /nfs/dbraw/zinc/86/82/60/1029868260.db2.gz CRKXHBIWPJHGDY-GXTWGEPZSA-N 0 3 312.335 3.600 20 30 DHEDHN CCN(CC)[C@@H](CNc1ncc(C#N)cc1F)c1ccsc1 ZINC000413057535 1029920181 /nfs/dbraw/zinc/92/01/81/1029920181.db2.gz YCZBSZPJCOBXJF-HNNXBMFYSA-N 0 3 318.421 3.649 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000924605792 1030136665 /nfs/dbraw/zinc/13/66/65/1030136665.db2.gz HQNUDLVRUIGSKS-CQSZACIVSA-N 0 3 313.445 3.843 20 30 DHEDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000924698722 1030163364 /nfs/dbraw/zinc/16/33/64/1030163364.db2.gz GFDATTFGOAPHAE-HUUCEWRRSA-N 0 3 315.461 3.633 20 30 DHEDHN N#CCOc1ccc(CN[C@H]2CCCc3c(F)cccc32)cc1 ZINC000866295352 1030210082 /nfs/dbraw/zinc/21/00/82/1030210082.db2.gz ZOXJOPRTQKIIJD-IBGZPJMESA-N 0 3 310.372 3.895 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000533300633 1030261307 /nfs/dbraw/zinc/26/13/07/1030261307.db2.gz HYCBDLBVEPUSRF-LSDHHAIUSA-N 0 3 314.429 3.897 20 30 DHEDHN N=C(N[C@@H]1CCc2c(Cl)cccc2C1)c1ccc(Cl)cn1 ZINC001171017826 1030286816 /nfs/dbraw/zinc/28/68/16/1030286816.db2.gz MAFPHIFCXDGIMW-GFCCVEGCSA-N 0 3 320.223 3.651 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2cccc3c2CCOC3)cc1 ZINC000866479169 1030317135 /nfs/dbraw/zinc/31/71/35/1030317135.db2.gz PWERHNGCVLQCPR-INIZCTEOSA-N 0 3 321.420 3.622 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000533513410 1030397212 /nfs/dbraw/zinc/39/72/12/1030397212.db2.gz BKONCTTYQLASRB-VQIMIIECSA-N 0 3 314.473 3.931 20 30 DHEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1nc2c(s1)CCCC2 ZINC000866617926 1030407968 /nfs/dbraw/zinc/40/79/68/1030407968.db2.gz RKIPSOGXGQPWQH-BLLLJJGKSA-N 0 3 323.465 3.712 20 30 DHEDHN COc1ccc(CN(C)Cc2cc(C)c(OC)c(C)c2)cc1C#N ZINC000533538629 1030418325 /nfs/dbraw/zinc/41/83/25/1030418325.db2.gz FLRQXXUPGCILHN-UHFFFAOYSA-N 0 3 324.424 3.824 20 30 DHEDHN C[C@H]1CN(c2cccc3cnccc32)CCN1CCC(C)(C)C#N ZINC000558118937 1030429541 /nfs/dbraw/zinc/42/95/41/1030429541.db2.gz SSAFYCOEGJARDC-INIZCTEOSA-N 0 3 322.456 3.685 20 30 DHEDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C12CCC2 ZINC000358580570 1030544803 /nfs/dbraw/zinc/54/48/03/1030544803.db2.gz YDIJZWTWUIGNHF-AFAVFJNCSA-N 0 3 302.393 3.696 20 30 DHEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2F)C12CCCC2 ZINC000358996337 1030718102 /nfs/dbraw/zinc/71/81/02/1030718102.db2.gz DXCKCYKTKFFLAA-HZPDHXFCSA-N 0 3 302.393 3.525 20 30 DHEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc2ccccc2o1 ZINC001275640503 1030841241 /nfs/dbraw/zinc/84/12/41/1030841241.db2.gz AWCLFMXJTJQCOB-FQEVSTJZSA-N 0 3 324.424 3.576 20 30 DHEDHN C=CCCCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558909540 1030928982 /nfs/dbraw/zinc/92/89/82/1030928982.db2.gz MXUXZDDHTDYETK-INIZCTEOSA-N 0 3 323.868 3.598 20 30 DHEDHN N#Cc1ccc2c(c1)C[C@@H](N[C@@H]1COCc3cccc(Cl)c31)C2 ZINC000926812955 1030940867 /nfs/dbraw/zinc/94/08/67/1030940867.db2.gz PYGWCYSXKJKSQY-FUHWJXTLSA-N 0 3 324.811 3.540 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCCC[C@H]2OC)c([O-])c1 ZINC000844271596 1031035002 /nfs/dbraw/zinc/03/50/02/1031035002.db2.gz QQGUSKLYJHMQKD-WVYNVMTESA-N 0 3 304.434 3.615 20 30 DHEDHN C=CCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CCC1 ZINC000359849352 1031163454 /nfs/dbraw/zinc/16/34/54/1031163454.db2.gz YZSVLCMIHMLLFV-AEFFLSMTSA-N 0 3 312.457 3.512 20 30 DHEDHN N#CCOc1cccc(CN[C@H]2CCSc3ccccc32)c1 ZINC000125040407 1031172637 /nfs/dbraw/zinc/17/26/37/1031172637.db2.gz OQQARHVSYRCWOL-KRWDZBQOSA-N 0 3 310.422 3.916 20 30 DHEDHN C=CC[C@H](C)C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001144019680 1031180018 /nfs/dbraw/zinc/18/00/18/1031180018.db2.gz ZVTLECUWNYUKDY-LNLFQRSKSA-N 0 3 314.473 3.568 20 30 DHEDHN C=CCC[C@H](NCC1OCCO1)c1ccc(C(F)(F)F)cc1 ZINC000777728455 1031415132 /nfs/dbraw/zinc/41/51/32/1031415132.db2.gz ZFSZYSWOAQNRFL-AWEZNQCLSA-N 0 3 315.335 3.675 20 30 DHEDHN C=CC[C@H](CO)CNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000537023146 1031490543 /nfs/dbraw/zinc/49/05/43/1031490543.db2.gz NFMDTVQJUUVCHR-LBPRGKRZSA-N 0 3 322.861 3.738 20 30 DHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCC[C@H](C)C1 ZINC000360627741 1031497481 /nfs/dbraw/zinc/49/74/81/1031497481.db2.gz COTDLNPENVVURL-QWHCGFSZSA-N 0 3 319.836 3.661 20 30 DHEDHN CN(Cc1cncc(C#N)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000929423850 1031517593 /nfs/dbraw/zinc/51/75/93/1031517593.db2.gz DREJGPZWJVGSTF-VQTJNVASSA-N 0 3 321.424 3.553 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000845436844 1031583292 /nfs/dbraw/zinc/58/32/92/1031583292.db2.gz MMLPEQOFJUWSLZ-QLFBSQMISA-N 0 3 307.397 3.576 20 30 DHEDHN Cc1c([C@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)cnn1C ZINC000360839687 1031583736 /nfs/dbraw/zinc/58/37/36/1031583736.db2.gz YPYQWWORLJAVHI-ORAYPTAESA-N 0 3 308.429 3.719 20 30 DHEDHN CC(C)(C)N1CC[C@H]1COC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000845737144 1031678316 /nfs/dbraw/zinc/67/83/16/1031678316.db2.gz WENRSCIAJJYPIF-INIZCTEOSA-N 0 3 314.429 3.517 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@@H](OCc3ccccc3)C2)cc1 ZINC001144576901 1031724347 /nfs/dbraw/zinc/72/43/47/1031724347.db2.gz VIGGNSBQUWSRIU-OAQYLSRUSA-N 0 3 305.421 3.849 20 30 DHEDHN C#Cc1ccc(CN2CCC(Oc3ccccc3OC)CC2)cc1 ZINC001144576182 1031724658 /nfs/dbraw/zinc/72/46/58/1031724658.db2.gz DSIPZOTZRKVHPA-UHFFFAOYSA-N 0 3 321.420 3.720 20 30 DHEDHN CN(Cc1cc(C#N)cs1)C[C@H]1CCN(c2ccccc2)C1 ZINC000897624822 1031745790 /nfs/dbraw/zinc/74/57/90/1031745790.db2.gz ZMAWZPMCCXXDSP-OAHLLOKOSA-N 0 3 311.454 3.578 20 30 DHEDHN C=CCC[C@H](NCc1cncc(C(=O)OC)c1)c1ccccc1 ZINC000930230188 1031748665 /nfs/dbraw/zinc/74/86/65/1031748665.db2.gz UVPSBXKAPLVBIQ-SFHVURJKSA-N 0 3 310.397 3.665 20 30 DHEDHN CC([C@H](OC(=O)CCCCCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000845877750 1031752255 /nfs/dbraw/zinc/75/22/55/1031752255.db2.gz GNJFGWCOZXEXSD-WBMJQRKESA-N 0 3 322.336 3.549 20 30 DHEDHN Cc1cccc(N2CCN([C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171204241 1031806930 /nfs/dbraw/zinc/80/69/30/1031806930.db2.gz UWASWWCDFRPFLQ-SFHVURJKSA-N 0 3 319.452 3.620 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846106997 1031879786 /nfs/dbraw/zinc/87/97/86/1031879786.db2.gz DQDXUESYJMRPTC-BBRMVZONSA-N 0 3 306.356 3.599 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@](C)(O)c1ccccc1 ZINC000846189691 1031924040 /nfs/dbraw/zinc/92/40/40/1031924040.db2.gz RMJOMMMGWLRBPT-KSMMKXTCSA-N 0 3 312.388 3.644 20 30 DHEDHN CCCCCCN1CCN([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171221025 1031959144 /nfs/dbraw/zinc/95/91/44/1031959144.db2.gz HIHWBJFRSAWDTI-SFHVURJKSA-N 0 3 313.489 3.687 20 30 DHEDHN N#CC(C(=O)c1cccc([N+](=O)[O-])c1)c1nccc2ccccc21 ZINC000361529376 1031974321 /nfs/dbraw/zinc/97/43/21/1031974321.db2.gz DWDZTSAZCBUTOX-MRXNPFEDSA-N 0 3 317.304 3.633 20 30 DHEDHN Cc1ccn2cc(CN(C)[C@H](C)Cc3cccc(C#N)c3)nc2c1 ZINC001171234191 1032014816 /nfs/dbraw/zinc/01/48/16/1032014816.db2.gz NDQOPCPLZWZQRI-MRXNPFEDSA-N 0 3 318.424 3.577 20 30 DHEDHN CCC(F)(F)C(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877655702 1033398898 /nfs/dbraw/zinc/39/88/98/1033398898.db2.gz IISUGDYSBQXTNQ-UHFFFAOYSA-N 0 3 301.768 3.768 20 30 DHEDHN C[C@@H](CSc1ccc(Cl)cc1)NC(=N)c1ccc(F)cn1 ZINC001172883526 1033458321 /nfs/dbraw/zinc/45/83/21/1033458321.db2.gz SOEWVUPCDFFUGK-JTQLQIEISA-N 0 3 323.824 3.760 20 30 DHEDHN C[C@H](CCN(C)C(=O)OC(C)(C)C)N(CCC#N)C1CCCC1 ZINC001172965340 1033486358 /nfs/dbraw/zinc/48/63/58/1033486358.db2.gz SNQFBRVGPNTDNH-OAHLLOKOSA-N 0 3 323.481 3.790 20 30 DHEDHN N#CCC1(CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000878089443 1033577094 /nfs/dbraw/zinc/57/70/94/1033577094.db2.gz NECAFXFSRSNIPO-KRWDZBQOSA-N 0 3 318.848 3.779 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000878334035 1033661374 /nfs/dbraw/zinc/66/13/74/1033661374.db2.gz MEJPRWCFCLKSNE-UFYCRDLUSA-N 0 3 308.425 3.605 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1CC[C@H](C)C(C)(C)C1)c1ccccc1 ZINC000878432824 1033703239 /nfs/dbraw/zinc/70/32/39/1033703239.db2.gz KEMMWHCDJZOELW-JXFKEZNVSA-N 0 3 312.457 3.795 20 30 DHEDHN C=CCOCCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000339043006 1033918863 /nfs/dbraw/zinc/91/88/63/1033918863.db2.gz LBJVHIHLVRQCJU-LLVKDONJSA-N 0 3 320.380 3.544 20 30 DHEDHN Cc1cc(Cl)nc(Nc2ccccc2CN(C)C)c1C#N ZINC001173929139 1033992299 /nfs/dbraw/zinc/99/22/99/1033992299.db2.gz WZAMFUWUKODLQM-UHFFFAOYSA-N 0 3 300.793 3.720 20 30 DHEDHN N#CCC[C@@H](C#N)CNCC(c1ccccc1)c1ccccc1 ZINC000554452392 1034149704 /nfs/dbraw/zinc/14/97/04/1034149704.db2.gz AKHHPWBPGWTXET-KRWDZBQOSA-N 0 3 303.409 3.852 20 30 DHEDHN N#CCC[C@H](C#N)CNCC(c1ccccc1)c1ccccc1 ZINC000554452393 1034151509 /nfs/dbraw/zinc/15/15/09/1034151509.db2.gz AKHHPWBPGWTXET-QGZVFWFLSA-N 0 3 303.409 3.852 20 30 DHEDHN CC(C)[C@H](NCc1ccc(F)cc1C#N)[C@@H](O)c1ccccc1 ZINC000794615135 1034316005 /nfs/dbraw/zinc/31/60/05/1034316005.db2.gz VMMSTKNIGGMWAU-OALUTQOASA-N 0 3 312.388 3.545 20 30 DHEDHN N#Cc1ccc(CN2Cc3ccccc3N3CCC[C@@H]3C2)cc1 ZINC000880550903 1034356033 /nfs/dbraw/zinc/35/60/33/1034356033.db2.gz ZLQSQBHECQACED-LJQANCHMSA-N 0 3 303.409 3.543 20 30 DHEDHN CC[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(C)cc1[O-] ZINC000794817822 1034539574 /nfs/dbraw/zinc/53/95/74/1034539574.db2.gz RHISOWGIHUMJOJ-SFHVURJKSA-N 0 3 310.397 3.692 20 30 DHEDHN CCC[C@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185858120 1034579092 /nfs/dbraw/zinc/57/90/92/1034579092.db2.gz MGAXYIVGZOPKCD-INIZCTEOSA-N 0 3 310.401 3.763 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H](C3CC3)C2)c(Br)c1 ZINC000481116320 1034590749 /nfs/dbraw/zinc/59/07/49/1034590749.db2.gz MKEGUWAGLQSOAF-ZDUSSCGKSA-N 0 3 305.219 3.553 20 30 DHEDHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1Br ZINC000481376744 1034790402 /nfs/dbraw/zinc/79/04/02/1034790402.db2.gz XERHBAUKLKQOEY-XHDPSFHLSA-N 0 3 307.235 3.941 20 30 DHEDHN CC(C)c1ccc(CN2CCN(CCC(C)(C)C#N)CC2)cc1 ZINC000555604356 1034830920 /nfs/dbraw/zinc/83/09/20/1034830920.db2.gz KJRIBLYJQIACBP-UHFFFAOYSA-N 0 3 313.489 3.867 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000481693317 1034933338 /nfs/dbraw/zinc/93/33/38/1034933338.db2.gz QSZDRHRJBUIYFG-HOTGVXAUSA-N 0 3 321.509 3.541 20 30 DHEDHN C=CCCCN(C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159755994 1035088378 /nfs/dbraw/zinc/08/83/78/1035088378.db2.gz PGVCMEAMTKGLNQ-UHFFFAOYSA-N 0 3 308.223 3.723 20 30 DHEDHN C=CCCN1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001175767967 1035115379 /nfs/dbraw/zinc/11/53/79/1035115379.db2.gz KPKAEYWJYBHJSE-UHFFFAOYSA-N 0 3 322.452 3.964 20 30 DHEDHN C[C@]1(c2ccc(F)cc2)CCN(Cc2cc(C#N)cs2)C1 ZINC000482590568 1035141694 /nfs/dbraw/zinc/14/16/94/1035141694.db2.gz IAGJHAXIKQTHQK-KRWDZBQOSA-N 0 3 300.402 3.922 20 30 DHEDHN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000484080344 1035316641 /nfs/dbraw/zinc/31/66/41/1035316641.db2.gz CSSGPIYFDPMYHM-DJJJIMSYSA-N 0 3 310.372 3.521 20 30 DHEDHN CC[C@@H](CSC)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000773700476 1035386596 /nfs/dbraw/zinc/38/65/96/1035386596.db2.gz AGFQLEULXFCOCE-AWEZNQCLSA-N 0 3 312.866 3.816 20 30 DHEDHN C=CCOc1cccc(CNCc2ccccc2-n2cccn2)c1 ZINC001178209539 1035415607 /nfs/dbraw/zinc/41/56/07/1035415607.db2.gz WMDQRBJTZZMSFI-UHFFFAOYSA-N 0 3 319.408 3.727 20 30 DHEDHN C=CC[C@H](CC)NCc1ncc(Br)cc1Cl ZINC001178585668 1035435505 /nfs/dbraw/zinc/43/55/05/1035435505.db2.gz ZUJBUAWQHVCBRA-JTQLQIEISA-N 0 3 303.631 3.942 20 30 DHEDHN Cc1cccc(-c2n[nH]cc2CNCc2ccc(CC#N)cc2)c1 ZINC001179028080 1035462791 /nfs/dbraw/zinc/46/27/91/1035462791.db2.gz KDLRFLZMCPZGMN-UHFFFAOYSA-N 0 3 316.408 3.741 20 30 DHEDHN C=C(C)C[C@@H](CO)NCc1ccc(Br)cc1Cl ZINC001179438736 1035477463 /nfs/dbraw/zinc/47/74/63/1035477463.db2.gz ZRYYAIRNYCDRGB-LBPRGKRZSA-N 0 3 318.642 3.519 20 30 DHEDHN C#C[C@H](N[C@H](CC)c1ccc(OC(F)F)cc1)[C@H]1CCCO1 ZINC000775571652 1035566833 /nfs/dbraw/zinc/56/68/33/1035566833.db2.gz IXWDTXDDUUYFAE-OWCLPIDISA-N 0 3 309.356 3.510 20 30 DHEDHN COc1ccc([C@@H]2CCN(Cc3cccc(C#N)c3F)C2)cc1 ZINC000540341129 1036048602 /nfs/dbraw/zinc/04/86/02/1036048602.db2.gz UFLIMVSALWDRHM-MRXNPFEDSA-N 0 3 310.372 3.695 20 30 DHEDHN N#Cc1ccc(CNCCOc2ccc(Cl)cc2)c(F)c1 ZINC000540482237 1036080702 /nfs/dbraw/zinc/08/07/02/1036080702.db2.gz XWWUVCKEWOEKJV-UHFFFAOYSA-N 0 3 304.752 3.519 20 30 DHEDHN C#CCN(Cc1ccc2c(c1)ncn2C)[C@H]1CCc2ccccc21 ZINC000775631734 1036119186 /nfs/dbraw/zinc/11/91/86/1036119186.db2.gz VBFUOOKDZIRNHY-FQEVSTJZSA-N 0 3 315.420 3.696 20 30 DHEDHN CN(Cc1ccc(CC#N)cc1)Cc1ccccc1N1CCCC1 ZINC000541282684 1036285860 /nfs/dbraw/zinc/28/58/60/1036285860.db2.gz OQWXCAZPISNCBA-UHFFFAOYSA-N 0 3 319.452 3.985 20 30 DHEDHN CC(C)(C)[C@@H]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000541388015 1036316948 /nfs/dbraw/zinc/31/69/48/1036316948.db2.gz UDIRLSZDXWINCK-CYBMUJFWSA-N 0 3 319.836 3.518 20 30 DHEDHN C=CCN(Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](C)COC ZINC001196047803 1036430388 /nfs/dbraw/zinc/43/03/88/1036430388.db2.gz FHXWCAOIOJCSLE-HNNXBMFYSA-N 0 3 319.445 3.665 20 30 DHEDHN C=CCN(Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H](C)COC ZINC001196047804 1036430550 /nfs/dbraw/zinc/43/05/50/1036430550.db2.gz FHXWCAOIOJCSLE-OAHLLOKOSA-N 0 3 319.445 3.665 20 30 DHEDHN CCCCCCCC[C@H]1C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C ZINC001273737099 1036688490 /nfs/dbraw/zinc/68/84/90/1036688490.db2.gz AXJCADHCNZJCKB-XSLAGTTESA-N 0 3 306.494 3.678 20 30 DHEDHN COc1cccc2c1CC[C@H]2NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000151908643 1036709581 /nfs/dbraw/zinc/70/95/81/1036709581.db2.gz UNNKWLJJSIFPJF-IFXJQAMLSA-N 0 3 322.408 3.763 20 30 DHEDHN Cc1cc(CN[C@@H](C)c2ccccc2-n2cccn2)ccc1C#N ZINC000488144079 1036871965 /nfs/dbraw/zinc/87/19/65/1036871965.db2.gz DWHVJKGHKHRBQO-INIZCTEOSA-N 0 3 316.408 3.903 20 30 DHEDHN N#Cc1ccc(Br)c(CN2CC[C@@H](C3CC3)C2)c1 ZINC000492584050 1036933496 /nfs/dbraw/zinc/93/34/96/1036933496.db2.gz SOUASLSGHMGJCG-CYBMUJFWSA-N 0 3 305.219 3.553 20 30 DHEDHN CC[C@H]1C[C@@H](C)CN1Cc1cc(C#N)ccc1Br ZINC000492634501 1036951457 /nfs/dbraw/zinc/95/14/57/1036951457.db2.gz XGVIMUMRFCUTEM-RISCZKNCSA-N 0 3 307.235 3.941 20 30 DHEDHN Cc1cc(CNCc2cccc(Br)c2)ccc1C#N ZINC000443984282 1036959800 /nfs/dbraw/zinc/95/98/00/1036959800.db2.gz WPEOQRNATCROGP-UHFFFAOYSA-N 0 3 315.214 3.919 20 30 DHEDHN Cc1cc(CNCc2cn(C)nc2-c2ccccc2)ccc1C#N ZINC000443998211 1036993643 /nfs/dbraw/zinc/99/36/43/1036993643.db2.gz UBEXRFMGGXXOIQ-UHFFFAOYSA-N 0 3 316.408 3.557 20 30 DHEDHN C=CCC[C@@H]1CCCN1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC001198414417 1037016084 /nfs/dbraw/zinc/01/60/84/1037016084.db2.gz RBDNSQBCQQIYRV-QUCCMNQESA-N 0 3 312.457 3.685 20 30 DHEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000911882885 1037230052 /nfs/dbraw/zinc/23/00/52/1037230052.db2.gz KYYRROJQHXOWNI-KRWDZBQOSA-N 0 3 319.449 3.661 20 30 DHEDHN COC(=O)Nc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1 ZINC001199309700 1037239299 /nfs/dbraw/zinc/23/92/99/1037239299.db2.gz NCLOXFLDDSXQKA-UHFFFAOYSA-N 0 3 323.396 3.643 20 30 DHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)OCCCO2 ZINC000193871568 1037300575 /nfs/dbraw/zinc/30/05/75/1037300575.db2.gz VWEFGOKGYYVFGS-AWEZNQCLSA-N 0 3 308.381 3.570 20 30 DHEDHN COCC#CCN(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776008670 1037302114 /nfs/dbraw/zinc/30/21/14/1037302114.db2.gz HMGXTZAHEJESNP-QGZVFWFLSA-N 0 3 309.409 3.605 20 30 DHEDHN C#CCOc1ccc(CN2CCC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776016215 1037311959 /nfs/dbraw/zinc/31/19/59/1037311959.db2.gz ZNWZNQVZCAZUPQ-CJNGLKHVSA-N 0 3 311.347 3.861 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000912237150 1037318955 /nfs/dbraw/zinc/31/89/55/1037318955.db2.gz VXAATHLZXPTJFV-DZGCQCFKSA-N 0 3 300.402 3.636 20 30 DHEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000912279959 1037332977 /nfs/dbraw/zinc/33/29/77/1037332977.db2.gz GKYTUXCIKAJFGM-LBPRGKRZSA-N 0 3 300.324 3.636 20 30 DHEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC000912467743 1037392642 /nfs/dbraw/zinc/39/26/42/1037392642.db2.gz WLJGHXMPSLAJAH-DOTOQJQBSA-N 0 3 321.465 3.724 20 30 DHEDHN C[C@H](NC[C@H](O)c1c(F)cccc1Cl)c1cccc(C#N)c1 ZINC000776164556 1037641504 /nfs/dbraw/zinc/64/15/04/1037641504.db2.gz JASSYEBJGUZNNL-ZBEGNZNMSA-N 0 3 318.779 3.735 20 30 DHEDHN CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776172746 1037676407 /nfs/dbraw/zinc/67/64/07/1037676407.db2.gz YKRXRCXJJCESHR-LSDHHAIUSA-N 0 3 309.413 3.958 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000185035647 1037773761 /nfs/dbraw/zinc/77/37/61/1037773761.db2.gz PYGDIWHFFCURJC-AEFFLSMTSA-N 0 3 300.446 3.542 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)c(C)c1)c1ccc2c(c1)OCCO2 ZINC000488128602 1037788292 /nfs/dbraw/zinc/78/82/92/1037788292.db2.gz MTBUQJIIECCSAM-GOSISDBHSA-N 0 3 322.408 3.879 20 30 DHEDHN CCCCCCCCCCCN1CCN([C@H]2CCOC2)CC1 ZINC001201630605 1037796383 /nfs/dbraw/zinc/79/63/83/1037796383.db2.gz CQKOAQZQFPOEGC-IBGZPJMESA-N 0 3 310.526 3.924 20 30 DHEDHN C#CCN(CC1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000763411204 1037829682 /nfs/dbraw/zinc/82/96/82/1037829682.db2.gz RJYFSJBWCSBBNJ-OAHLLOKOSA-N 0 3 320.230 3.618 20 30 DHEDHN C=C(C)CN(Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000491001098 1037880442 /nfs/dbraw/zinc/88/04/42/1037880442.db2.gz YQHAGGVUBXGKLE-UHFFFAOYSA-N 0 3 316.493 3.809 20 30 DHEDHN Cc1ccc(CN(CCCOc2ccc(C#N)cc2)C2CC2)o1 ZINC000917062706 1038149453 /nfs/dbraw/zinc/14/94/53/1038149453.db2.gz VEIBZFQBZDTVOE-UHFFFAOYSA-N 0 3 310.397 3.893 20 30 DHEDHN CN(C)c1ccc(CN(Cc2cccc(C#N)c2)C2CC2)cc1 ZINC000917074006 1038160805 /nfs/dbraw/zinc/16/08/05/1038160805.db2.gz MSIGBCLGUJCPNZ-UHFFFAOYSA-N 0 3 305.425 3.789 20 30 DHEDHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000571689513 1038179954 /nfs/dbraw/zinc/17/99/54/1038179954.db2.gz UHHVJUZRRRCGGH-HOCLYGCPSA-N 0 3 310.445 3.853 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccccc1C(C)(C)C ZINC001189608954 1038181447 /nfs/dbraw/zinc/18/14/47/1038181447.db2.gz QOIBBSVAVZLJFK-HNNXBMFYSA-N 0 3 315.461 3.756 20 30 DHEDHN C#CCN(C[C@@H]1CCC2(CCC2)CO1)[C@H]1CCc2ccccc21 ZINC001190526458 1038333863 /nfs/dbraw/zinc/33/38/63/1038333863.db2.gz AFCDRJOFCXOFLW-ICSRJNTNSA-N 0 3 309.453 3.958 20 30 DHEDHN C#CCN(CCCc1ccccc1OC)Cc1ccc(F)cc1 ZINC001190707456 1038367249 /nfs/dbraw/zinc/36/72/49/1038367249.db2.gz ILEHBDFJNDJCSO-UHFFFAOYSA-N 0 3 311.400 3.902 20 30 DHEDHN COc1cc(C#N)ccc1OCCN1CCC(CC(C)C)CC1 ZINC001191494899 1038509954 /nfs/dbraw/zinc/50/99/54/1038509954.db2.gz BHSRCDUKZZXYSN-UHFFFAOYSA-N 0 3 316.445 3.704 20 30 DHEDHN Cc1nn(C)cc1[C@H]1CCCN1CCC1(C#N)CCCCC1 ZINC000591016071 1038744191 /nfs/dbraw/zinc/74/41/91/1038744191.db2.gz QWLIMMKOABFRNQ-QGZVFWFLSA-N 0 3 300.450 3.730 20 30 DHEDHN COc1ccc(CN(C)CCC2(C#N)CCCCC2)cc1OC ZINC000591010705 1038744819 /nfs/dbraw/zinc/74/48/19/1038744819.db2.gz XVRKVYFIFBYOEG-UHFFFAOYSA-N 0 3 316.445 4.000 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1n[nH]c2ccccc12 ZINC000591357573 1038838572 /nfs/dbraw/zinc/83/85/72/1038838572.db2.gz PWZXSUJDFKDLMB-QGZVFWFLSA-N 0 3 302.381 3.602 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1[nH]nc2ccccc21 ZINC000591357573 1038838591 /nfs/dbraw/zinc/83/85/91/1038838591.db2.gz PWZXSUJDFKDLMB-QGZVFWFLSA-N 0 3 302.381 3.602 20 30 DHEDHN C#CCCN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000760829531 1038867620 /nfs/dbraw/zinc/86/76/20/1038867620.db2.gz DZEPLKLSJIQBIZ-UHFFFAOYSA-N 0 3 309.409 3.729 20 30 DHEDHN CC(C)(C#N)CCCN1CCc2nccc(Br)c2C1 ZINC000598946350 1038951230 /nfs/dbraw/zinc/95/12/30/1038951230.db2.gz PDVXRURJGHUWKM-UHFFFAOYSA-N 0 3 322.250 3.532 20 30 DHEDHN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573493641 1038979349 /nfs/dbraw/zinc/97/93/49/1038979349.db2.gz FCYPUCBPJDXEFO-KDOFPFPSSA-N 0 3 321.380 3.844 20 30 DHEDHN COc1ccc(C[C@H]2CCCCN2Cc2ccc(C#N)o2)cc1 ZINC000593676453 1039044519 /nfs/dbraw/zinc/04/45/19/1039044519.db2.gz JMRUESDVTHFUDL-MRXNPFEDSA-N 0 3 310.397 3.757 20 30 DHEDHN Cc1ccc(CN2CCC(OCCC(C)C)CC2)cc1C#N ZINC000599264241 1039104818 /nfs/dbraw/zinc/10/48/18/1039104818.db2.gz DCCSFDNDRJRNIN-UHFFFAOYSA-N 0 3 300.446 3.894 20 30 DHEDHN Cc1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1C#N ZINC000599418710 1039149411 /nfs/dbraw/zinc/14/94/11/1039149411.db2.gz NOFFQJMAGKVPHZ-GOSISDBHSA-N 0 3 314.816 3.733 20 30 DHEDHN CC(C)[C@H](NCc1ccc(Cl)cc1C#N)C1(CO)CC=CC1 ZINC000592177052 1039160082 /nfs/dbraw/zinc/16/00/82/1039160082.db2.gz HTNSQDBLIYBPFV-KRWDZBQOSA-N 0 3 318.848 3.655 20 30 DHEDHN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(CC#N)cc1 ZINC000592391408 1039186933 /nfs/dbraw/zinc/18/69/33/1039186933.db2.gz FRNYFCFFSWZQIT-SFHVURJKSA-N 0 3 310.372 3.677 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cnn(C2CCCC2)c1 ZINC000592391443 1039187248 /nfs/dbraw/zinc/18/72/48/1039187248.db2.gz PSQSPGYTYQWFKB-OAHLLOKOSA-N 0 3 308.429 3.915 20 30 DHEDHN CCOCc1cc(CN2CCC(CCC#N)CC2)ccc1OC ZINC000592517222 1039220962 /nfs/dbraw/zinc/22/09/62/1039220962.db2.gz ADJMOGSOVUFGIR-UHFFFAOYSA-N 0 3 316.445 3.747 20 30 DHEDHN CCN(CCSC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000592530769 1039224298 /nfs/dbraw/zinc/22/42/98/1039224298.db2.gz QUEFUCQOXQAKHF-UHFFFAOYSA-N 0 3 302.365 3.762 20 30 DHEDHN C=CCCCN1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000605149952 1039638599 /nfs/dbraw/zinc/63/85/99/1039638599.db2.gz UTFUZIJEIMYRKE-UHFFFAOYSA-N 0 3 307.507 3.524 20 30 DHEDHN CCCNc1ccc(Cl)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594436523 1039782678 /nfs/dbraw/zinc/78/26/78/1039782678.db2.gz NSRKCQZBAXMCKQ-CYBMUJFWSA-N 0 3 322.840 3.512 20 30 DHEDHN Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](N)CCCCC#N ZINC000594433152 1039782880 /nfs/dbraw/zinc/78/28/80/1039782880.db2.gz CLHRXSUSIBSOBT-ZWKOTPCHSA-N 0 3 315.461 3.610 20 30 DHEDHN Cc1cccc([C@@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)C)c1 ZINC000594433327 1039784496 /nfs/dbraw/zinc/78/44/96/1039784496.db2.gz NQOBPOAILPPVPK-DLBZAZTESA-N 0 3 315.461 3.610 20 30 DHEDHN CCCNc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594436531 1039784839 /nfs/dbraw/zinc/78/48/39/1039784839.db2.gz NSRKCQZBAXMCKQ-ZDUSSCGKSA-N 0 3 322.840 3.512 20 30 DHEDHN COCc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594494278 1039796622 /nfs/dbraw/zinc/79/66/22/1039796622.db2.gz FBBPLFTXRVVSGB-UHFFFAOYSA-N 0 3 308.425 3.924 20 30 DHEDHN N#CC1(c2ccc(CN[C@H]3CCc4ccc(O)cc43)cc2)CC1 ZINC000594979568 1039951719 /nfs/dbraw/zinc/95/17/19/1039951719.db2.gz JYOUSOBRHLIHLG-IBGZPJMESA-N 0 3 304.393 3.724 20 30 DHEDHN Cc1c(CNCc2ccc(C3(C#N)CC3)cc2)cccc1[N+](=O)[O-] ZINC000594936711 1039954990 /nfs/dbraw/zinc/95/49/90/1039954990.db2.gz CLYGVXRUJYLOEF-UHFFFAOYSA-N 0 3 321.380 3.748 20 30 DHEDHN Cc1c(CNC2(c3ccc(C#N)cc3)CCC2)cccc1[N+](=O)[O-] ZINC000594032066 1039961650 /nfs/dbraw/zinc/96/16/50/1039961650.db2.gz CCFNCMVZIBMVRG-UHFFFAOYSA-N 0 3 321.380 3.944 20 30 DHEDHN C=CCCSCCNCc1nc2ccc(Cl)cc2n1C ZINC000594960336 1039965642 /nfs/dbraw/zinc/96/56/42/1039965642.db2.gz OKUZKGGNQFDXHK-UHFFFAOYSA-N 0 3 309.866 3.626 20 30 DHEDHN N#Cc1ccc(N2CCC(NCC3(C#N)CCCCC3)CC2)cc1 ZINC000594981142 1039990610 /nfs/dbraw/zinc/99/06/10/1039990610.db2.gz HQMRTECFVHDTRL-UHFFFAOYSA-N 0 3 322.456 3.591 20 30 DHEDHN C[C@@H](O)[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000595006614 1040016350 /nfs/dbraw/zinc/01/63/50/1040016350.db2.gz MDFFCVMKFMIKJA-DNVCBOLYSA-N 0 3 308.425 3.699 20 30 DHEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)C1CCCCC1 ZINC000595094323 1040078105 /nfs/dbraw/zinc/07/81/05/1040078105.db2.gz WQEFOEBYIWGJAL-UGSOOPFHSA-N 0 3 304.409 3.943 20 30 DHEDHN CC(C)[C@@H](O)[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000595095176 1040082436 /nfs/dbraw/zinc/08/24/36/1040082436.db2.gz GDHQOYXCOMIBRP-CWFSZBLJSA-N 0 3 308.425 3.967 20 30 DHEDHN CC(C)(C)OC(=O)[C@@H]1CN(CCCCC#N)Cc2ccccc21 ZINC000595619162 1040192729 /nfs/dbraw/zinc/19/27/29/1040192729.db2.gz ULFDXJMMZURZDU-QGZVFWFLSA-N 0 3 314.429 3.621 20 30 DHEDHN CC(C)(C#N)CCCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595829989 1040266071 /nfs/dbraw/zinc/26/60/71/1040266071.db2.gz SJDJTEQDXFBIEZ-ZDUSSCGKSA-N 0 3 315.244 3.946 20 30 DHEDHN C[C@H](C#N)c1ccc(-c2ccccc2CN2CCN(C)CC2)cc1 ZINC000596638777 1040533051 /nfs/dbraw/zinc/53/30/51/1040533051.db2.gz CLTSYNBDBUKAJO-QGZVFWFLSA-N 0 3 319.452 3.728 20 30 DHEDHN COc1ccc(CNCc2cccc(OCC(C)C)c2)cc1C#N ZINC000174303216 1040618946 /nfs/dbraw/zinc/61/89/46/1040618946.db2.gz NRHWHODCZBUMAC-UHFFFAOYSA-N 0 3 324.424 3.891 20 30 DHEDHN COc1ccc(CNCc2ccc(OCC#N)cc2)cc1Cl ZINC000174357576 1040632327 /nfs/dbraw/zinc/63/23/27/1040632327.db2.gz ZBZHKFXTIWYXGG-UHFFFAOYSA-N 0 3 316.788 3.541 20 30 DHEDHN N#Cc1ccc2ncc(CN3CCCC4(CCCC4)CC3)n2c1 ZINC000597182663 1040681045 /nfs/dbraw/zinc/68/10/45/1040681045.db2.gz CTEUJVUBIQQFHG-UHFFFAOYSA-N 0 3 308.429 3.752 20 30 DHEDHN C=CCN(CCc1ccco1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761216722 1040688731 /nfs/dbraw/zinc/68/87/31/1040688731.db2.gz OOGREMUJMGKJEE-UHFFFAOYSA-N 0 3 322.449 3.613 20 30 DHEDHN C#Cc1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000060552609 1040759104 /nfs/dbraw/zinc/75/91/04/1040759104.db2.gz UXNMNJZDQLULTB-UHFFFAOYSA-N 0 3 304.393 3.516 20 30 DHEDHN COc1cc2c(cc1OC)[C@H](N(C)Cc1ccc(C#N)cc1)CC2 ZINC000602438413 1041033860 /nfs/dbraw/zinc/03/38/60/1041033860.db2.gz IUPFNTFOSYUIEE-GOSISDBHSA-N 0 3 322.408 3.695 20 30 DHEDHN COc1cc2c(cc1OC)[C@H](N(C)Cc1cccc(C#N)c1)CC2 ZINC000602442394 1041034540 /nfs/dbraw/zinc/03/45/40/1041034540.db2.gz YEZUZXXVDNFINB-GOSISDBHSA-N 0 3 322.408 3.695 20 30 DHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(F)c(Cl)c1 ZINC000602526410 1041085804 /nfs/dbraw/zinc/08/58/04/1041085804.db2.gz KUPKXCLCYJZKBM-LBPRGKRZSA-N 0 3 310.800 3.668 20 30 DHEDHN N#CCC1(CN2CCC(OCc3ccccc3F)CC2)CC1 ZINC000602795522 1041218861 /nfs/dbraw/zinc/21/88/61/1041218861.db2.gz BDCPSWCUAPNYSK-UHFFFAOYSA-N 0 3 302.393 3.501 20 30 DHEDHN CCc1ccc([C@H]2CCCCN2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592998 1041350364 /nfs/dbraw/zinc/35/03/64/1041350364.db2.gz POFYNLMOXHXBBT-GDBMZVCRSA-N 0 3 304.434 3.670 20 30 DHEDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598589455 1041352251 /nfs/dbraw/zinc/35/22/51/1041352251.db2.gz OCBSHSDJYXVPSX-LBPRGKRZSA-N 0 3 315.244 3.726 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000598594699 1041354572 /nfs/dbraw/zinc/35/45/72/1041354572.db2.gz IDIGTHKEEDMBRQ-DLBZAZTESA-N 0 3 304.409 3.653 20 30 DHEDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598598662 1041356399 /nfs/dbraw/zinc/35/63/99/1041356399.db2.gz IBMIRTPIXLUOJA-KBPBESRZSA-N 0 3 323.506 3.869 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@@H](c2ccccc2)C(C)C)CC1 ZINC000080079944 334945318 /nfs/dbraw/zinc/94/53/18/334945318.db2.gz YCKQMBDTIPPGGB-LJQANCHMSA-N 0 3 314.473 3.583 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@H](c2ccccc2)C(C)C)CC1 ZINC000080079939 334945324 /nfs/dbraw/zinc/94/53/24/334945324.db2.gz YCKQMBDTIPPGGB-IBGZPJMESA-N 0 3 314.473 3.583 20 30 DHEDHN Clc1ccc(C#CCN2CCC3(CCOCC3)CC2)cc1 ZINC000284820680 335017386 /nfs/dbraw/zinc/01/73/86/335017386.db2.gz QZIHHPOIAGWACU-UHFFFAOYSA-N 0 3 303.833 3.584 20 30 DHEDHN C=CCC[C@H](NCCn1cc(Br)cn1)c1ccco1 ZINC000285724541 335025325 /nfs/dbraw/zinc/02/53/25/335025325.db2.gz QJGRFKIOVXGVDD-ZDUSSCGKSA-N 0 3 324.222 3.536 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)s1 ZINC000563821287 335029247 /nfs/dbraw/zinc/02/92/47/335029247.db2.gz QGVZLCLWBRPXOE-BRWVUGGUSA-N 0 3 304.459 3.525 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)n(C(C)C)c2C)n1 ZINC000041520760 183196596 /nfs/dbraw/zinc/19/65/96/183196596.db2.gz OFRLVOYHAQEFFT-CQSZACIVSA-N 0 3 301.415 3.941 20 30 DHEDHN Fc1ccc(CN(CC#Cc2ccccc2)C2CCOCC2)cc1 ZINC000287833713 335048237 /nfs/dbraw/zinc/04/82/37/335048237.db2.gz QGRXOKSLQGPMGF-UHFFFAOYSA-N 0 3 323.411 3.858 20 30 DHEDHN C#Cc1ccc(CN[C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000289252047 335061071 /nfs/dbraw/zinc/06/10/71/335061071.db2.gz MAEZQHPVMYEPGK-OAHLLOKOSA-N 0 3 309.409 3.844 20 30 DHEDHN C=C[C@H](CO)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000289670767 335062640 /nfs/dbraw/zinc/06/26/40/335062640.db2.gz HEZNFHYCMXPGNX-IUODEOHRSA-N 0 3 302.443 3.624 20 30 DHEDHN C=CC[C@@H]1N(Cc2cnc(C3OCCO3)s2)CCCC1(C)C ZINC000289502688 335063910 /nfs/dbraw/zinc/06/39/10/335063910.db2.gz CLTCWDRUERNKLE-AWEZNQCLSA-N 0 3 322.474 3.755 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCO[C@H](c3ccccc3)C2)c(F)c1 ZINC000274225507 130220373 /nfs/dbraw/zinc/22/03/73/130220373.db2.gz ZSARGPXLKWIKAO-HKUYNNGSSA-N 0 3 310.372 3.707 20 30 DHEDHN COc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)cc(OC)c1 ZINC000275037760 130285335 /nfs/dbraw/zinc/28/53/35/130285335.db2.gz LVUJFLLBZQDKJN-CQSZACIVSA-N 0 3 310.397 3.768 20 30 DHEDHN CCC[C@@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000279574406 130752346 /nfs/dbraw/zinc/75/23/46/130752346.db2.gz AXNCGBMBFSBGNG-MOPGFXCFSA-N 0 3 312.388 3.689 20 30 DHEDHN C[C@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000286893915 131254427 /nfs/dbraw/zinc/25/44/27/131254427.db2.gz DEEOLPWUWNJALW-UGSOOPFHSA-N 0 3 314.816 3.986 20 30 DHEDHN N#Cc1cccc(OCCCN2CCC=C(c3cccnc3)C2)c1 ZINC000289365365 131378603 /nfs/dbraw/zinc/37/86/03/131378603.db2.gz OOKHXPGRZIPXJK-UHFFFAOYSA-N 0 3 319.408 3.511 20 30 DHEDHN C=CCCCCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290367941 335073005 /nfs/dbraw/zinc/07/30/05/335073005.db2.gz AHSBCGNOTLCNRH-SJORKVTESA-N 0 3 315.413 3.544 20 30 DHEDHN C=CCCCCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290367936 335073033 /nfs/dbraw/zinc/07/30/33/335073033.db2.gz AHSBCGNOTLCNRH-IAGOWNOFSA-N 0 3 315.413 3.544 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(OC)c(O)c2)cc1 ZINC000290687875 335074543 /nfs/dbraw/zinc/07/45/43/335074543.db2.gz MKCDKKYRZVNFAU-AWEZNQCLSA-N 0 3 313.397 3.816 20 30 DHEDHN C=CCCOCCN[C@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000290670166 335074192 /nfs/dbraw/zinc/07/41/92/335074192.db2.gz LEKKQQGPWAFSNL-ZWKOTPCHSA-N 0 3 307.409 3.618 20 30 DHEDHN Cc1nc(NC2CCN([C@H](C)c3ccccc3)CC2)ccc1C#N ZINC000488049492 435633439 /nfs/dbraw/zinc/63/34/39/435633439.db2.gz MAFHYCSZBTXJFT-MRXNPFEDSA-N 0 3 320.440 3.899 20 30 DHEDHN C=CCOc1ccccc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000047454112 331573804 /nfs/dbraw/zinc/57/38/04/331573804.db2.gz AMHYCYHWAKPDKD-UHFFFAOYSA-N 0 3 310.397 3.565 20 30 DHEDHN CCc1ccc([C@H](CNc2ccc(F)cc2C#N)N(C)C)cc1 ZINC000558063560 331848972 /nfs/dbraw/zinc/84/89/72/331848972.db2.gz XHXVMZSMERLDLV-IBGZPJMESA-N 0 3 311.404 3.975 20 30 DHEDHN CC(C)[C@H]1C[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000558189563 331882467 /nfs/dbraw/zinc/88/24/67/331882467.db2.gz IVKLJOYYMHICOQ-DHSIGJKJSA-N 0 3 304.409 3.799 20 30 DHEDHN CCOc1ccc(OCCN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000558737949 331940346 /nfs/dbraw/zinc/94/03/46/331940346.db2.gz PAQXXIRWOZTDKG-HNNXBMFYSA-N 0 3 310.397 3.687 20 30 DHEDHN C[C@H](CN1CCCCC1)Nc1ccc(Br)cc1C#N ZINC000130428328 332023944 /nfs/dbraw/zinc/02/39/44/332023944.db2.gz NNZONSSBIYXNFI-GFCCVEGCSA-N 0 3 322.250 3.607 20 30 DHEDHN C[C@]1(Cc2cccc(F)c2)CCCN1Cc1ccc(C#N)cn1 ZINC000569376092 332068098 /nfs/dbraw/zinc/06/80/98/332068098.db2.gz NAHQBPASPLTJQE-LJQANCHMSA-N 0 3 309.388 3.690 20 30 DHEDHN Cc1ccc(Br)cc1C([O-])=C(C#N)c1ccccn1 ZINC000091440413 332069051 /nfs/dbraw/zinc/06/90/51/332069051.db2.gz ZFWFLOLTRHWSKL-ZDUSSCGKSA-N 0 3 315.170 3.643 20 30 DHEDHN Cc1ccc(Br)cc1C(=O)C(C#N)c1ccccn1 ZINC000091440413 332069053 /nfs/dbraw/zinc/06/90/53/332069053.db2.gz ZFWFLOLTRHWSKL-ZDUSSCGKSA-N 0 3 315.170 3.643 20 30 DHEDHN C=C(C)COc1cc(CNC(C)(C)COCC)ccc1OC ZINC000569385319 332072278 /nfs/dbraw/zinc/07/22/78/332072278.db2.gz LXROQNRCMUNBNL-UHFFFAOYSA-N 0 3 307.434 3.555 20 30 DHEDHN C=CCCCC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000518599893 332091076 /nfs/dbraw/zinc/09/10/76/332091076.db2.gz WHXOZAVIJNFLOB-GOSISDBHSA-N 0 3 318.461 3.549 20 30 DHEDHN COC[C@@H](Cc1ccccc1)N[C@H](CCC#N)c1ccccc1 ZINC000090665501 332092553 /nfs/dbraw/zinc/09/25/53/332092553.db2.gz QWMZVERBIBLTFU-WOJBJXKFSA-N 0 3 308.425 3.879 20 30 DHEDHN C=CCN1CC[C@H](N(CCCC)[C@H](C)c2ccccc2)C1=O ZINC000410340024 332113082 /nfs/dbraw/zinc/11/30/82/332113082.db2.gz VXCWAMWEJZJBCJ-AEFFLSMTSA-N 0 3 300.446 3.637 20 30 DHEDHN C=CCN1CC[C@H](N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000410390794 332122965 /nfs/dbraw/zinc/12/29/65/332122965.db2.gz RRWZXPZOVNLSOD-KEYYUXOJSA-N 0 3 320.864 3.551 20 30 DHEDHN CN(Cc1ccc(C#N)cc1Br)C(C1CC1)C1CC1 ZINC000181041042 332173307 /nfs/dbraw/zinc/17/33/07/332173307.db2.gz GUYLWALJGDSKNJ-UHFFFAOYSA-N 0 3 319.246 3.941 20 30 DHEDHN C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000584303675 332234611 /nfs/dbraw/zinc/23/46/11/332234611.db2.gz JFXPQNJNRGWVSP-ACDBMABISA-N 0 3 324.468 3.598 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@H]2CCc3c2cccc3O)cc1 ZINC000105487441 332252027 /nfs/dbraw/zinc/25/20/27/332252027.db2.gz JJDCUBAXKPYVAB-IBGZPJMESA-N 0 3 321.424 3.519 20 30 DHEDHN C=CCCCNCc1ccc(OC)cc1OCc1cccnc1 ZINC000560024840 332302988 /nfs/dbraw/zinc/30/29/88/332302988.db2.gz KCIPVSDFZNOPBQ-UHFFFAOYSA-N 0 3 312.413 3.725 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)CC(C)(C)C)CC1 ZINC000150746127 332416988 /nfs/dbraw/zinc/41/69/88/332416988.db2.gz DPPZLCREBNJCKX-UHFFFAOYSA-N 0 3 309.498 3.541 20 30 DHEDHN CCc1ccccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000123611685 332425764 /nfs/dbraw/zinc/42/57/64/332425764.db2.gz GBAIMUICTVSZFY-UHFFFAOYSA-N 0 3 307.441 3.889 20 30 DHEDHN C=CCN(Cc1ccccc1)C(=O)c1cccc(CN(C)C)c1 ZINC000156077911 332461669 /nfs/dbraw/zinc/46/16/69/332461669.db2.gz WWKOPLAEIGSUFZ-UHFFFAOYSA-N 0 3 308.425 3.577 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H](CC3CC3)C2)c(OC(F)F)c1 ZINC000580219536 333020205 /nfs/dbraw/zinc/02/02/05/333020205.db2.gz PYDDRQBIYANHIC-AWEZNQCLSA-N 0 3 306.356 3.782 20 30 DHEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1ccccc1SCC#N ZINC000177853553 333132629 /nfs/dbraw/zinc/13/26/29/333132629.db2.gz NFNDJFWCEUJLIU-CQSZACIVSA-N 0 3 319.474 3.609 20 30 DHEDHN Cc1c([C@H](C)NCCCCC#N)nnn1-c1cccc(Cl)c1 ZINC000178640482 333141681 /nfs/dbraw/zinc/14/16/81/333141681.db2.gz GYHOCAQQFNPPCO-LBPRGKRZSA-N 0 3 317.824 3.574 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CCC[C@H]2c2cccn2C)cc1 ZINC000179708073 333154641 /nfs/dbraw/zinc/15/46/41/333154641.db2.gz FEVGRGQOWQCXSJ-FQEVSTJZSA-N 0 3 322.456 3.712 20 30 DHEDHN C=CCC[C@H](C(=O)N(C)CC1(N(C)C)CCC1)c1ccccc1 ZINC000188027209 333157240 /nfs/dbraw/zinc/15/72/40/333157240.db2.gz UVMNCSPVVQLGHO-SFHVURJKSA-N 0 3 314.473 3.679 20 30 DHEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1ccc(N(C)C)cc1 ZINC000180554077 333163273 /nfs/dbraw/zinc/16/32/73/333163273.db2.gz ICVGUXKTWDAIMU-FQEVSTJZSA-N 0 3 323.440 3.896 20 30 DHEDHN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181798536 333172560 /nfs/dbraw/zinc/17/25/60/333172560.db2.gz PEQGMJNWCDNUBM-UZLBHIALSA-N 0 3 324.424 3.753 20 30 DHEDHN Cc1ccc([C@@H](C)NCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000182332423 333177596 /nfs/dbraw/zinc/17/75/96/333177596.db2.gz KCNAVBXGEUPWTL-QGZVFWFLSA-N 0 3 321.424 3.593 20 30 DHEDHN C=CCOc1ccccc1CN[C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442795611 335123422 /nfs/dbraw/zinc/12/34/22/335123422.db2.gz UUWGDFHXIGJDCH-MRXNPFEDSA-N 0 3 318.420 3.990 20 30 DHEDHN COc1ccc(Br)cc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185860103 333215150 /nfs/dbraw/zinc/21/51/50/333215150.db2.gz DGYZMTPNZAIBBQ-SMDDNHRTSA-N 0 3 323.234 3.630 20 30 DHEDHN COCCCOc1cc(C)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185862146 333215381 /nfs/dbraw/zinc/21/53/81/333215381.db2.gz TXHSBFGANSWLKH-SJLPKXTDSA-N 0 3 316.445 3.582 20 30 DHEDHN CN(c1ccc(F)cc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388194292 333218202 /nfs/dbraw/zinc/21/82/02/333218202.db2.gz QDTRRIYDPDTMGQ-LJQANCHMSA-N 0 3 323.415 3.798 20 30 DHEDHN COc1cccc([C@H]2CCCN2CCOc2ccccc2C#N)c1 ZINC000497612523 333269694 /nfs/dbraw/zinc/26/96/94/333269694.db2.gz SHPDJTIUGGREEI-LJQANCHMSA-N 0 3 322.408 3.783 20 30 DHEDHN N#C[C@H]1CCC[C@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000192757993 333292486 /nfs/dbraw/zinc/29/24/86/333292486.db2.gz YVIMKAQHDMTCBO-AXHNFQJDSA-N 0 3 312.413 3.581 20 30 DHEDHN COc1cc(F)c([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000192864125 333294459 /nfs/dbraw/zinc/29/44/59/333294459.db2.gz QRRGQNLFTVOVOF-FRRDWIJNSA-N 0 3 306.381 3.576 20 30 DHEDHN C=CC1CCN([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000111257593 333328271 /nfs/dbraw/zinc/32/82/71/333328271.db2.gz FDMBPKMNKQLHAH-ZBFHGGJFSA-N 0 3 318.486 3.698 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000365488061 333407898 /nfs/dbraw/zinc/40/78/98/333407898.db2.gz CVWFZESQFHXKAZ-BBRMVZONSA-N 0 3 314.820 3.698 20 30 DHEDHN CC(C)(C#N)CCN1CCC(OCCc2ccccc2)CC1 ZINC000336859656 333430321 /nfs/dbraw/zinc/43/03/21/333430321.db2.gz JNXGDDBHTFAPHC-UHFFFAOYSA-N 0 3 300.446 3.650 20 30 DHEDHN N#CCCCOc1cccc(CN[C@H]2CCC[C@H]2OC(F)F)c1 ZINC000337308468 333445798 /nfs/dbraw/zinc/44/57/98/333445798.db2.gz SURGZZWDDLKCSP-JKSUJKDBSA-N 0 3 324.371 3.619 20 30 DHEDHN CCCn1nccc1C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000337445026 333449370 /nfs/dbraw/zinc/44/93/70/333449370.db2.gz PCPVVFXTNSIGQB-UHFFFAOYSA-N 0 3 322.456 3.739 20 30 DHEDHN Cc1c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000339067190 333507864 /nfs/dbraw/zinc/50/78/64/333507864.db2.gz HQGGEZCLSQAVLW-DUVNUKRYSA-N 0 3 312.392 3.663 20 30 DHEDHN CC(C)(NCCC1(C#N)CCCCC1)C(=O)NCC1CCCC1 ZINC000411447435 333670779 /nfs/dbraw/zinc/67/07/79/333670779.db2.gz WJDFXDPEXQDFNC-UHFFFAOYSA-N 0 3 319.493 3.525 20 30 DHEDHN COc1cc(OC)cc(C2(F)CCN([C@@H](C)CCC#N)CC2)c1 ZINC000411688896 333702080 /nfs/dbraw/zinc/70/20/80/333702080.db2.gz DIWYVROJUFIIMR-AWEZNQCLSA-N 0 3 320.408 3.657 20 30 DHEDHN CC[C@@H]1OCC[C@H]1NCc1ccc(-c2ccccc2C#N)cc1 ZINC000411815560 333707914 /nfs/dbraw/zinc/70/79/14/333707914.db2.gz GPGOSEUOPQJJFO-UXHICEINSA-N 0 3 306.409 3.882 20 30 DHEDHN Cc1ccccc1[C@H]([C@@H](C)Nc1ncc(C#N)cc1F)N(C)C ZINC000413299507 333842386 /nfs/dbraw/zinc/84/23/86/333842386.db2.gz UQIJUDLDSMSXIM-DYVFJYSZSA-N 0 3 312.392 3.504 20 30 DHEDHN CC(C)(CC#N)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414170212 333907302 /nfs/dbraw/zinc/90/73/02/333907302.db2.gz SKVSSVNOOAWUBA-HNNXBMFYSA-N 0 3 301.390 3.847 20 30 DHEDHN C=CCC[C@H](NC[C@H](CO)c1ccc(OC)cc1)c1ccco1 ZINC000414180284 333909291 /nfs/dbraw/zinc/90/92/91/333909291.db2.gz LUHFZJFUQOKBMS-AEFFLSMTSA-N 0 3 315.413 3.661 20 30 DHEDHN Cc1c([C@@H](C)NCC(C)(C)CC#N)cnn1-c1ccc(F)cc1 ZINC000414160695 333914944 /nfs/dbraw/zinc/91/49/44/333914944.db2.gz DIXHQRLFNDUUND-CYBMUJFWSA-N 0 3 314.408 3.910 20 30 DHEDHN CCOc1ccc([C@H](C)NCC(C)(C)CC#N)cc1[N+](=O)[O-] ZINC000414161607 333915337 /nfs/dbraw/zinc/91/53/37/333915337.db2.gz FTKKTDJVRYBKTB-LBPRGKRZSA-N 0 3 305.378 3.584 20 30 DHEDHN C=CCOc1ccc(CN(C)CC[C@@H]2CCCO2)cc1Cl ZINC000343466142 335167304 /nfs/dbraw/zinc/16/73/04/335167304.db2.gz IHVBNYOQDJWFMT-HNNXBMFYSA-N 0 3 309.837 3.906 20 30 DHEDHN CC(C)(C)N(CCCCC#N)CC(=O)Nc1ccc(F)cc1 ZINC000269348495 334000630 /nfs/dbraw/zinc/00/06/30/334000630.db2.gz YVTRMGIXLLHPQY-UHFFFAOYSA-N 0 3 305.397 3.559 20 30 DHEDHN C=C(C)COc1cc(CN[C@H]2CS[C@H](C)C2)ccc1OC ZINC000414506857 334001075 /nfs/dbraw/zinc/00/10/75/334001075.db2.gz XOZTURRZBPFYBJ-UKRRQHHQSA-N 0 3 307.459 3.634 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000571646246 334001852 /nfs/dbraw/zinc/00/18/52/334001852.db2.gz OYJBJXGMNYZBBQ-SFHVURJKSA-N 0 3 311.385 3.789 20 30 DHEDHN C[C@@H](NCCCSCC#N)c1ccccc1OC(F)F ZINC000271750494 334026331 /nfs/dbraw/zinc/02/63/31/334026331.db2.gz KPAGSEWWIWFKCZ-LLVKDONJSA-N 0 3 300.374 3.585 20 30 DHEDHN N#CCCCN[C@H]1CCCOc2c(Br)cccc21 ZINC000273323094 334045430 /nfs/dbraw/zinc/04/54/30/334045430.db2.gz ZSMSOEUSFUREOQ-ZDUSSCGKSA-N 0 3 309.207 3.556 20 30 DHEDHN CC(C)(C#N)CCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000277056302 334086304 /nfs/dbraw/zinc/08/63/04/334086304.db2.gz MOVBCSOINFXHFH-CABCVRRESA-N 0 3 310.800 3.839 20 30 DHEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCCCCC1 ZINC000279299286 334107587 /nfs/dbraw/zinc/10/75/87/334107587.db2.gz LYDVPCFMLJQCRY-GOSISDBHSA-N 0 3 323.440 3.812 20 30 DHEDHN CC(C)N1CC[C@@H](NCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279335497 334107994 /nfs/dbraw/zinc/10/79/94/334107994.db2.gz UJTVMJZIUYMDSR-SJORKVTESA-N 0 3 323.843 3.896 20 30 DHEDHN CC(C)CCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279564358 334110292 /nfs/dbraw/zinc/11/02/92/334110292.db2.gz XYMGPWMIFWWRPV-YJBOKZPZSA-N 0 3 311.429 3.572 20 30 DHEDHN CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(C)cc1[O-] ZINC000280241407 334115753 /nfs/dbraw/zinc/11/57/53/334115753.db2.gz WAOPFNAGQOJGMD-SFHVURJKSA-N 0 3 310.397 3.844 20 30 DHEDHN COc1ccc(CN(C)CCCSC)cc1OCCCC#N ZINC000281169277 334123604 /nfs/dbraw/zinc/12/36/04/334123604.db2.gz GVEHKDGGHOTNER-UHFFFAOYSA-N 0 3 322.474 3.563 20 30 DHEDHN N#CCCCN1CCC(c2cccc(Br)c2)CC1 ZINC000281493021 334126620 /nfs/dbraw/zinc/12/66/20/334126620.db2.gz WHECCMAADKKZEU-UHFFFAOYSA-N 0 3 307.235 3.932 20 30 DHEDHN C[C@@H](c1ccccc1F)N(C)CCCC1(C#N)CCOCC1 ZINC000281983293 334130174 /nfs/dbraw/zinc/13/01/74/334130174.db2.gz MCAHWAHKLMKALT-HNNXBMFYSA-N 0 3 304.409 3.919 20 30 DHEDHN COc1ccc(CN(CCCC#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000282417626 334134617 /nfs/dbraw/zinc/13/46/17/334134617.db2.gz JDBHHYPJNVKQIS-AWEZNQCLSA-N 0 3 302.418 3.608 20 30 DHEDHN CCCCCCC[C@H](C)CN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000283856929 334141658 /nfs/dbraw/zinc/14/16/58/334141658.db2.gz BLHMIMBMSZQEQG-RDJZCZTQSA-N 0 3 315.465 3.875 20 30 DHEDHN N#CCC[C@H](N[C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000287695726 334158239 /nfs/dbraw/zinc/15/82/39/334158239.db2.gz NIQKDVBIVYKCNU-ILXRZTDVSA-N 0 3 312.335 3.731 20 30 DHEDHN C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCC1(F)F ZINC000291558827 334179776 /nfs/dbraw/zinc/17/97/76/334179776.db2.gz MVSUGXNBBCHSIS-CQSZACIVSA-N 0 3 307.388 3.514 20 30 DHEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340456074 334207051 /nfs/dbraw/zinc/20/70/51/334207051.db2.gz VBKWYIAXKROHOP-SQWLQELKSA-N 0 3 312.392 3.744 20 30 DHEDHN N#CCCOCCNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000294386908 334208863 /nfs/dbraw/zinc/20/88/63/334208863.db2.gz BUFXSMKXBNSBNE-UHFFFAOYSA-N 0 3 312.335 3.604 20 30 DHEDHN CCOc1ccccc1[C@H](CC(C)C)NCCOCCC#N ZINC000294579532 334211063 /nfs/dbraw/zinc/21/10/63/334211063.db2.gz MQNHPRFYNTYZOJ-KRWDZBQOSA-N 0 3 304.434 3.692 20 30 DHEDHN N#CC[C@@H]1CC[C@H](NCc2cccc(F)c2Br)C1 ZINC000294953620 334214476 /nfs/dbraw/zinc/21/44/76/334214476.db2.gz DHCCCSYOJGLICW-JQWIXIFHSA-N 0 3 311.198 3.760 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000295932131 334228687 /nfs/dbraw/zinc/22/86/87/334228687.db2.gz FSWMINYXUGCESI-ZIAGYGMSSA-N 0 3 314.820 3.698 20 30 DHEDHN COC[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1cccc(Cl)c1F ZINC000296339359 334232211 /nfs/dbraw/zinc/23/22/11/334232211.db2.gz HTWOMIPGOFQOQY-HUBLWGQQSA-N 0 3 310.800 3.839 20 30 DHEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1nc2ccc(Cl)cc2n1C ZINC000296555973 334235039 /nfs/dbraw/zinc/23/50/39/334235039.db2.gz RUMHCVZTZRYTRM-OBJOEFQTSA-N 0 3 316.836 3.960 20 30 DHEDHN C[C@H](CCC#N)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000298448529 334248936 /nfs/dbraw/zinc/24/89/36/334248936.db2.gz HHURHQGQTXMFTO-GFCCVEGCSA-N 0 3 301.365 3.839 20 30 DHEDHN CCc1nc2ccccc2n1C1CCN([C@@H](C)CCC#N)CC1 ZINC000299733731 334257780 /nfs/dbraw/zinc/25/77/80/334257780.db2.gz YYTMPQCCKLTYAM-HNNXBMFYSA-N 0 3 310.445 3.928 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2sc(C)nc2C)cc1 ZINC000119834941 334291080 /nfs/dbraw/zinc/29/10/80/334291080.db2.gz GVASLUCZACOKKE-LBPRGKRZSA-N 0 3 300.427 3.623 20 30 DHEDHN CC(C)N(CCOc1ccccc1C#N)Cc1cccs1 ZINC000049028811 334309354 /nfs/dbraw/zinc/30/93/54/334309354.db2.gz BRUKWSCTKQDCLM-UHFFFAOYSA-N 0 3 300.427 3.909 20 30 DHEDHN CCC[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342730029 334569569 /nfs/dbraw/zinc/56/95/69/334569569.db2.gz PFVBODJHPPIZHL-GOSISDBHSA-N 0 3 304.397 3.837 20 30 DHEDHN C[C@H](N[C@H]1CCC(=O)NC12CCC2)C(=O)NC1CCC(C)CC1 ZINC000328719370 334748117 /nfs/dbraw/zinc/74/81/17/334748117.db2.gz VNHIHRSMGBHMLM-SHWKFHJASA-N 0 3 321.465 3.541 20 30 DHEDHN Cc1cccc(NC(=O)[C@@H](C)N[C@H]2CCC(=O)NC23CCC3)c1 ZINC000328721784 334748263 /nfs/dbraw/zinc/74/82/63/334748263.db2.gz XCFUXLTZYFTTRV-HIFRSBDPSA-N 0 3 315.417 3.603 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC(NC(=O)C3CCCCC3)CC2)C1 ZINC000328866263 334761723 /nfs/dbraw/zinc/76/17/23/334761723.db2.gz WQLOWZILBIUSOQ-PBHICJAKSA-N 0 3 303.450 3.680 20 30 DHEDHN Cc1cc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)ccc1C#N ZINC000443964120 338464529 /nfs/dbraw/zinc/46/45/29/338464529.db2.gz IVZGMRZHCYNKEY-VQTJNVASSA-N 0 3 306.409 3.877 20 30 DHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc(-n2cccn2)c1 ZINC000343689027 335188312 /nfs/dbraw/zinc/18/83/12/335188312.db2.gz LBAGEJLBUALLQA-INIZCTEOSA-N 0 3 316.408 3.789 20 30 DHEDHN C[C@@H](NCc1ccccc1Cn1ccnc1)c1cccc(C#N)c1 ZINC000344034902 335211117 /nfs/dbraw/zinc/21/11/17/335211117.db2.gz PPQUFPIGHCRHFU-MRXNPFEDSA-N 0 3 316.408 3.654 20 30 DHEDHN Cc1ccc([C@H]2OCCC[C@H]2NCc2cc(C#N)cs2)cc1 ZINC000344646040 335268351 /nfs/dbraw/zinc/26/83/51/335268351.db2.gz UZHSVFAOFYQGER-QZTJIDSGSA-N 0 3 312.438 3.938 20 30 DHEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)C(C)C#N ZINC000345456320 335326653 /nfs/dbraw/zinc/32/66/53/335326653.db2.gz WQLSTAHZAKYFFJ-YPMHNXCESA-N 0 3 313.426 3.798 20 30 DHEDHN C[C@H](N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000346068115 335372204 /nfs/dbraw/zinc/37/22/04/335372204.db2.gz MPBJUEPAMPHHGD-KXBFYZLASA-N 0 3 323.415 3.622 20 30 DHEDHN C[C@H](NCc1cccc(-n2ccnc2)c1)c1ccc(C#N)c(F)c1 ZINC000346177215 335377999 /nfs/dbraw/zinc/37/79/99/335377999.db2.gz ILLSAPMHABRLCT-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN CC(=O)Nc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000346158097 335383046 /nfs/dbraw/zinc/38/30/46/335383046.db2.gz HMUYFTUWBYPBRC-GFCCVEGCSA-N 0 3 311.360 3.507 20 30 DHEDHN Cc1cccc2c1OC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C2 ZINC000520667026 336004278 /nfs/dbraw/zinc/00/42/78/336004278.db2.gz ZBHFJSGEJXQDIL-SUMWQHHRSA-N 0 3 310.372 3.660 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H]2CCCC)CC1 ZINC000520693698 336021276 /nfs/dbraw/zinc/02/12/76/336021276.db2.gz MOOGVFFQNVWMFQ-WMZOPIPTSA-N 0 3 321.509 3.685 20 30 DHEDHN CCC(=O)Nc1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000583663806 336035007 /nfs/dbraw/zinc/03/50/07/336035007.db2.gz WRYPRMSBFLCIRC-IBGZPJMESA-N 0 3 319.408 3.684 20 30 DHEDHN CC[C@@H]1CCCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000351912072 336132289 /nfs/dbraw/zinc/13/22/89/336132289.db2.gz DHQKQEFCPUKLSR-QGZVFWFLSA-N 0 3 313.445 3.588 20 30 DHEDHN NC(=O)C1(CNC(=O)[C@H]2CCCCN2C2CCCC2)CCCC1 ZINC000330316291 336152907 /nfs/dbraw/zinc/15/29/07/336152907.db2.gz ZFSYTNKZJQSBKJ-OAHLLOKOSA-N 0 3 321.465 3.836 20 30 DHEDHN CC(C)[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000332697538 336179167 /nfs/dbraw/zinc/17/91/67/336179167.db2.gz WENHXQXBTRAGNU-SJORKVTESA-N 0 3 324.428 3.913 20 30 DHEDHN CC[C@@H](C(=O)N[C@H](CCCC#N)c1ccccc1)N(CC)CC ZINC000352175572 336199035 /nfs/dbraw/zinc/19/90/35/336199035.db2.gz VZIQPZSWNCVYBB-MSOLQXFVSA-N 0 3 315.461 3.658 20 30 DHEDHN CC[C@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)N(CC)CC ZINC000352175575 336199092 /nfs/dbraw/zinc/19/90/92/336199092.db2.gz VZIQPZSWNCVYBB-ZWKOTPCHSA-N 0 3 315.461 3.658 20 30 DHEDHN C=CCC[C@@H](NCc1ccc2c(c1)oc(=O)n2C)c1ccccc1 ZINC000352694708 336230879 /nfs/dbraw/zinc/23/08/79/336230879.db2.gz YFJHZSZVLAFULW-QGZVFWFLSA-N 0 3 322.408 3.929 20 30 DHEDHN CN(Cc1cccc(Br)c1)Cc1cccc(C#N)c1 ZINC000042374136 336239876 /nfs/dbraw/zinc/23/98/76/336239876.db2.gz PTYHVBJJOVWXTP-UHFFFAOYSA-N 0 3 315.214 3.953 20 30 DHEDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000192755553 336260539 /nfs/dbraw/zinc/26/05/39/336260539.db2.gz YDPPVAQZSCQTJK-KBPBESRZSA-N 0 3 310.397 3.987 20 30 DHEDHN C=CCc1cc(CN[C@@H]2CCCC(F)(F)C2)cc(OC)c1O ZINC000532628699 336263059 /nfs/dbraw/zinc/26/30/59/336263059.db2.gz PCHHDFMSTNWGKA-CQSZACIVSA-N 0 3 311.372 3.797 20 30 DHEDHN Cc1ccc([C@H](CNc2ccc(Cl)c(C#N)n2)N(C)C)cc1 ZINC000301188850 336294041 /nfs/dbraw/zinc/29/40/41/336294041.db2.gz XCHMESSKLOUFOY-INIZCTEOSA-N 0 3 314.820 3.630 20 30 DHEDHN N#Cc1c(F)cccc1N[C@@H](CN1CCCC1)c1ccccc1 ZINC000301261723 336297522 /nfs/dbraw/zinc/29/75/22/336297522.db2.gz LOEUBWCCYAJEPQ-IBGZPJMESA-N 0 3 309.388 3.946 20 30 DHEDHN CC(C)OCCN1CCC(Nc2cc(Cl)ccc2C#N)CC1 ZINC000301478586 336309341 /nfs/dbraw/zinc/30/93/41/336309341.db2.gz QIFLRLKSQIQTHB-UHFFFAOYSA-N 0 3 321.852 3.513 20 30 DHEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000302093520 336348253 /nfs/dbraw/zinc/34/82/53/336348253.db2.gz IDTYGBOKOFSUDG-FQEVSTJZSA-N 0 3 321.424 3.784 20 30 DHEDHN N#Cc1csc(CN[C@H]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000352891543 336356947 /nfs/dbraw/zinc/35/69/47/336356947.db2.gz KGAPSDZOTIHZRC-JSGCOSHPSA-N 0 3 301.390 3.580 20 30 DHEDHN CCc1ccc([C@@H](CNc2c(C#N)cccc2C#N)N(C)C)cc1 ZINC000302412214 336358529 /nfs/dbraw/zinc/35/85/29/336358529.db2.gz HDDAUBNRFYISDM-LJQANCHMSA-N 0 3 318.424 3.707 20 30 DHEDHN Cc1ccc(NC2CCN([C@H](C)c3ccccc3)CC2)nc1C#N ZINC000302672843 336364230 /nfs/dbraw/zinc/36/42/30/336364230.db2.gz SFXQACDTJDYAPF-MRXNPFEDSA-N 0 3 320.440 3.899 20 30 DHEDHN Cc1ccc(NC[C@H](c2cccs2)N2CCCC2)nc1C#N ZINC000302715211 336366215 /nfs/dbraw/zinc/36/62/15/336366215.db2.gz MTLMEFNCNVUIRY-OAHLLOKOSA-N 0 3 312.442 3.572 20 30 DHEDHN Cc1ccc(NC[C@H](c2ccccc2)N2CCCC2)nc1C#N ZINC000302721683 336366543 /nfs/dbraw/zinc/36/65/43/336366543.db2.gz PMHVDMMHQFRECP-GOSISDBHSA-N 0 3 306.413 3.511 20 30 DHEDHN N#Cc1cccc(C#N)c1NC[C@H](c1ccccc1)N1CCCC1 ZINC000302821513 336370606 /nfs/dbraw/zinc/37/06/06/336370606.db2.gz DMAVVEJFMJXDFJ-LJQANCHMSA-N 0 3 316.408 3.679 20 30 DHEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000514626246 336386285 /nfs/dbraw/zinc/38/62/85/336386285.db2.gz UDQWVOMCCAKTTJ-OKZBNKHCSA-N 0 3 310.441 3.796 20 30 DHEDHN C[C@H](NCCC[C@@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1F ZINC000305815516 336397130 /nfs/dbraw/zinc/39/71/30/336397130.db2.gz LZUYNEUYIFBAAU-YEWWUXTCSA-N 0 3 304.409 3.679 20 30 DHEDHN CN(C)Cc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccc1F ZINC000353258604 336408649 /nfs/dbraw/zinc/40/86/49/336408649.db2.gz CWBBNUZOTXJVIS-HXUWFJFHSA-N 0 3 323.415 3.536 20 30 DHEDHN C=CCC[C@H](NCCN1CCc2ccccc2C1=O)c1ccco1 ZINC000353673156 336433864 /nfs/dbraw/zinc/43/38/64/336433864.db2.gz RMAFSGYYEDWJQO-SFHVURJKSA-N 0 3 324.424 3.575 20 30 DHEDHN C=CCCC1(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC000354546132 336474189 /nfs/dbraw/zinc/47/41/89/336474189.db2.gz JBVYHSYBGJBWSB-INIZCTEOSA-N 0 3 320.502 3.994 20 30 DHEDHN Cc1ccc2c(c1)[C@@H](NCCOc1ccc(C#N)cc1)CCCO2 ZINC000358211060 336616988 /nfs/dbraw/zinc/61/69/88/336616988.db2.gz YQEHGKJLRYYSCU-IBGZPJMESA-N 0 3 322.408 3.749 20 30 DHEDHN Cc1ccnc(OC2CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000360213874 336704837 /nfs/dbraw/zinc/70/48/37/336704837.db2.gz RYLWFGYEYJGVBR-MRXNPFEDSA-N 0 3 321.424 3.866 20 30 DHEDHN Cc1cc(C)n(CC2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000118398470 336867298 /nfs/dbraw/zinc/86/72/98/336867298.db2.gz YLTRZWIDAJBBAE-KRWDZBQOSA-N 0 3 322.456 3.845 20 30 DHEDHN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccc1C#N ZINC000418150087 336898125 /nfs/dbraw/zinc/89/81/25/336898125.db2.gz VWTUZBRYEKJNAO-FQEVSTJZSA-N 0 3 301.393 3.906 20 30 DHEDHN N#Cc1cccc(C2(NC3CC(OCc4ccccc4)C3)CC2)c1 ZINC000582316358 336916840 /nfs/dbraw/zinc/91/68/40/336916840.db2.gz NMIQVWWRDYBYLC-UHFFFAOYSA-N 0 3 318.420 3.885 20 30 DHEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H]2/C=C/c2cccs2)cc1 ZINC000375150923 337004476 /nfs/dbraw/zinc/00/44/76/337004476.db2.gz HSRDPWXRIUPQGL-NYPDKFTISA-N 0 3 324.449 3.831 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000305086454 337013154 /nfs/dbraw/zinc/01/31/54/337013154.db2.gz UMXUAGASFJADID-FQEVSTJZSA-N 0 3 324.399 3.610 20 30 DHEDHN CCCc1noc(-c2cccc(CN[C@@H]3CCC[C@H](C#N)C3)c2)n1 ZINC000375721074 337017793 /nfs/dbraw/zinc/01/77/93/337017793.db2.gz URFQMOOJLKYHEA-WMLDXEAASA-N 0 3 324.428 3.861 20 30 DHEDHN C[C@H](NC[C@@H]1CCCn2ccnc21)c1ccc(C#N)cc1Cl ZINC000375740493 337018528 /nfs/dbraw/zinc/01/85/28/337018528.db2.gz FZKHBTJWFHYBMW-JSGCOSHPSA-N 0 3 314.820 3.636 20 30 DHEDHN CC[C@@H](NC[C@@H]1OCCc2ccccc21)c1ccc(C#N)cc1 ZINC000376479943 337034468 /nfs/dbraw/zinc/03/44/68/337034468.db2.gz WDUQVXRWAYYTRS-UXHICEINSA-N 0 3 306.409 3.913 20 30 DHEDHN N#CCCCCN1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000376557841 337036739 /nfs/dbraw/zinc/03/67/39/337036739.db2.gz LJVRPWSQBZQPEL-QGZVFWFLSA-N 0 3 321.465 3.594 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000376956903 337044104 /nfs/dbraw/zinc/04/41/04/337044104.db2.gz TYTGXMDUBCZESY-WJPUGNRLSA-N 0 3 321.420 3.570 20 30 DHEDHN Cc1nc([C@H]2CCCN(Cc3ccccc3C(C)(C)C#N)C2)no1 ZINC000378170362 337067657 /nfs/dbraw/zinc/06/76/57/337067657.db2.gz VIARBPBKLHKIPW-INIZCTEOSA-N 0 3 324.428 3.559 20 30 DHEDHN Fc1ccc(C#CCN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000378526617 337075330 /nfs/dbraw/zinc/07/53/30/337075330.db2.gz QPODWIQGKOQQPF-UYAOXDASSA-N 0 3 309.384 3.545 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Cc2cccnc2)CC1 ZINC000360060956 337084759 /nfs/dbraw/zinc/08/47/59/337084759.db2.gz RMMDOVMQZUQTMJ-INIZCTEOSA-N 0 3 305.425 3.969 20 30 DHEDHN C=CCN1CCC(NC(=O)c2ccc(SC(C)C)cc2)CC1 ZINC000171717533 337088564 /nfs/dbraw/zinc/08/85/64/337088564.db2.gz MHLJAVFKMVLBBD-UHFFFAOYSA-N 0 3 318.486 3.567 20 30 DHEDHN Cn1cccc1[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000175123606 337144563 /nfs/dbraw/zinc/14/45/63/337144563.db2.gz PURCNLVKYOFBSK-GOSISDBHSA-N 0 3 309.413 3.503 20 30 DHEDHN CC(C)(C#N)CCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000174844969 337144976 /nfs/dbraw/zinc/14/49/76/337144976.db2.gz WUJFIXFDAIJJFA-HNNXBMFYSA-N 0 3 300.402 3.882 20 30 DHEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]2CCCC[C@@H]21 ZINC000176695363 337152686 /nfs/dbraw/zinc/15/26/86/337152686.db2.gz WGGIEHZOHPCURR-ZFWWWQNUSA-N 0 3 317.458 3.603 20 30 DHEDHN Cc1sc(NC(=O)CN(C)C2CCCCCC2)c(C#N)c1C ZINC000177240815 337155022 /nfs/dbraw/zinc/15/50/22/337155022.db2.gz JTZAVPRFTYZFGU-UHFFFAOYSA-N 0 3 319.474 3.830 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000179373579 337167538 /nfs/dbraw/zinc/16/75/38/337167538.db2.gz GCSBUENZYPUUID-UONOGXRCSA-N 0 3 306.475 3.605 20 30 DHEDHN COc1c(C)cc(C(=O)C(C#N)c2nc(C)cs2)cc1C ZINC000180731362 337177457 /nfs/dbraw/zinc/17/74/57/337177457.db2.gz TYFODAVGFKSCAC-ZDUSSCGKSA-N 0 3 300.383 3.567 20 30 DHEDHN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000182942017 337190793 /nfs/dbraw/zinc/19/07/93/337190793.db2.gz ZDAGTQXXOKXNGU-ZDUSSCGKSA-N 0 3 310.401 3.667 20 30 DHEDHN C[C@H](NCc1ccccc1-n1cccn1)c1ccc(C#N)s1 ZINC000183353924 337191476 /nfs/dbraw/zinc/19/14/76/337191476.db2.gz IBVNCYIBHHTINA-ZDUSSCGKSA-N 0 3 308.410 3.656 20 30 DHEDHN CC[C@H]1[C@H](C)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000185589939 337249357 /nfs/dbraw/zinc/24/93/57/337249357.db2.gz GBEBMDCRWLQETF-QAPCUYQASA-N 0 3 323.440 3.858 20 30 DHEDHN CCOc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1OC(F)F ZINC000185785547 337251267 /nfs/dbraw/zinc/25/12/67/337251267.db2.gz CXNACFOMZKBKOU-OCCSQVGLSA-N 0 3 324.371 3.859 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000532908524 337259435 /nfs/dbraw/zinc/25/94/35/337259435.db2.gz WXCOEKNXWTZYTK-SJLPKXTDSA-N 0 3 300.446 3.562 20 30 DHEDHN N#CC(C(=O)c1ccc2c(c1)CCC2)c1cnc2ccccc2n1 ZINC000190941470 337291628 /nfs/dbraw/zinc/29/16/28/337291628.db2.gz IYGCUOCLXGGKTB-INIZCTEOSA-N 0 3 313.360 3.609 20 30 DHEDHN Cc1cnc([C@H](C)CNC2CC(C#N)(c3ccccc3)C2)s1 ZINC000129688163 337430312 /nfs/dbraw/zinc/43/03/12/337430312.db2.gz ZUJTZJYTIXXTEV-IMUUDWKMSA-N 0 3 311.454 3.769 20 30 DHEDHN N#CC1(COc2ccc(OCCN3CCCCC3)cc2)CCC1 ZINC000418842391 337431885 /nfs/dbraw/zinc/43/18/85/337431885.db2.gz GONRRBNCMQFLCU-UHFFFAOYSA-N 0 3 314.429 3.624 20 30 DHEDHN C=C(C)CCN[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000419246297 337477781 /nfs/dbraw/zinc/47/77/81/337477781.db2.gz WBSCYCWKSOAHRA-LJQANCHMSA-N 0 3 308.425 3.600 20 30 DHEDHN C=CCC(CC=C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000268185767 337634912 /nfs/dbraw/zinc/63/49/12/337634912.db2.gz JUAPFLHHAYPKGK-UHFFFAOYSA-N 0 3 316.445 3.642 20 30 DHEDHN CCC(O)(CC)C(C)(C)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000572424356 337636088 /nfs/dbraw/zinc/63/60/88/337636088.db2.gz DYHSEXRTXRHDOQ-CYBMUJFWSA-N 0 3 306.425 3.925 20 30 DHEDHN C#CC[C@@H](N[C@@H](C)CC(=O)N1CCCCCC1)c1ccccc1 ZINC000271589246 337644949 /nfs/dbraw/zinc/64/49/49/337644949.db2.gz YCNIYZHBGKIIII-PKOBYXMFSA-N 0 3 312.457 3.522 20 30 DHEDHN OCCC[C@H](NCC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000271803866 337645570 /nfs/dbraw/zinc/64/55/70/337645570.db2.gz PUDDCZBJNVKWSM-IBGZPJMESA-N 0 3 313.828 3.795 20 30 DHEDHN Cc1cc(CNC[C@@H]2CSc3ccccc3O2)ccc1C#N ZINC000580444872 337676385 /nfs/dbraw/zinc/67/63/85/337676385.db2.gz YFVZIGBOHZUKLS-MRXNPFEDSA-N 0 3 310.422 3.510 20 30 DHEDHN CO[C@H](CNCc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000532988014 337804215 /nfs/dbraw/zinc/80/42/15/337804215.db2.gz ZOYHEUZYRMSBDP-QGZVFWFLSA-N 0 3 318.779 3.828 20 30 DHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)c(Br)c1 ZINC000424321210 337820241 /nfs/dbraw/zinc/82/02/41/337820241.db2.gz HEHBHKOVQRUHKT-JBLDHEPKSA-N 0 3 311.198 3.931 20 30 DHEDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCCS2 ZINC000424321213 337820347 /nfs/dbraw/zinc/82/03/47/337820347.db2.gz HESRVZZNJANWNG-ZENOOKHLSA-N 0 3 302.443 3.904 20 30 DHEDHN C=CCC[C@H](NCc1nccn1CCc1ccccc1)C1CC1 ZINC000121587813 337895786 /nfs/dbraw/zinc/89/57/86/337895786.db2.gz VXUPEKRIUXRDHS-IBGZPJMESA-N 0 3 309.457 3.960 20 30 DHEDHN CCOC[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000515159456 337981237 /nfs/dbraw/zinc/98/12/37/337981237.db2.gz BKYOUHGQBQIHRX-HNNXBMFYSA-N 0 3 314.351 3.728 20 30 DHEDHN C=CC[C@H](C(=O)N[C@H](C)CN1CCC[C@H](C)C1)c1ccccc1 ZINC000426649908 338037014 /nfs/dbraw/zinc/03/70/14/338037014.db2.gz YWVRTCALSHUGFU-SCTDSRPQSA-N 0 3 314.473 3.583 20 30 DHEDHN C=CCC[C@H](N[C@H]1COc2cc(OC)ccc2C1)c1ccco1 ZINC000428466444 338053709 /nfs/dbraw/zinc/05/37/09/338053709.db2.gz VRZLVHOGSVCZDL-WBVHZDCISA-N 0 3 313.397 3.889 20 30 DHEDHN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428994875 338068211 /nfs/dbraw/zinc/06/82/11/338068211.db2.gz PYWPFMTZWUVKAU-QRQLOZEOSA-N 0 3 316.420 3.603 20 30 DHEDHN CCO[C@@H]1C[C@H](NCc2ccc(F)c(C#N)c2)C12CCCCC2 ZINC000429780067 338089721 /nfs/dbraw/zinc/08/97/21/338089721.db2.gz AZZKOTAHQJWFSK-ZWKOTPCHSA-N 0 3 316.420 3.915 20 30 DHEDHN C=C(CNCc1ccnn1-c1ccccc1OC)c1ccccc1 ZINC000430008487 338093298 /nfs/dbraw/zinc/09/32/98/338093298.db2.gz UOPKIURWXBIVBB-UHFFFAOYSA-N 0 3 319.408 3.684 20 30 DHEDHN C=C(C)COCCNCc1cc(Cl)ccc1OCC1CC1 ZINC000430047861 338094424 /nfs/dbraw/zinc/09/44/24/338094424.db2.gz UKHPRNWXAXZFNE-UHFFFAOYSA-N 0 3 309.837 3.811 20 30 DHEDHN CCOc1c(Cl)cc(CNCC2(CC#N)CC2)cc1OC ZINC000430046888 338094492 /nfs/dbraw/zinc/09/44/92/338094492.db2.gz QBUWKMJRFDGZIT-UHFFFAOYSA-N 0 3 308.809 3.531 20 30 DHEDHN Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC1(CC#N)CC1 ZINC000430752167 338113575 /nfs/dbraw/zinc/11/35/75/338113575.db2.gz FEROSMCQSKQFDV-CYBMUJFWSA-N 0 3 319.836 3.649 20 30 DHEDHN Cc1ccc(SC2(CNC(=O)C(C)C#N)CCCC2)cc1 ZINC000431419633 338130247 /nfs/dbraw/zinc/13/02/47/338130247.db2.gz PVQFILJAWJQTJK-CQSZACIVSA-N 0 3 302.443 3.676 20 30 DHEDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000432152861 338147373 /nfs/dbraw/zinc/14/73/73/338147373.db2.gz LERLOIASOMNVQA-ACJLOTCBSA-N 0 3 324.384 3.570 20 30 DHEDHN N#CCCC[C@H](NCC(=O)Nc1ccccc1)c1ccccc1 ZINC000433017945 338176508 /nfs/dbraw/zinc/17/65/08/338176508.db2.gz DKTQDKGBQFEWGL-SFHVURJKSA-N 0 3 307.397 3.650 20 30 DHEDHN C[C@@H](Cc1ccccc1F)NC(=O)C(C#N)CCc1ccccc1 ZINC000433306833 338190835 /nfs/dbraw/zinc/19/08/35/338190835.db2.gz SHQPBPMTSAFALZ-MAUKXSAKSA-N 0 3 324.399 3.645 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000433314448 338191764 /nfs/dbraw/zinc/19/17/64/338191764.db2.gz AORCTTPTZZGICZ-VQIMIIECSA-N 0 3 322.383 3.702 20 30 DHEDHN CCN(CCc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433321986 338192240 /nfs/dbraw/zinc/19/22/40/338192240.db2.gz YUSPPHWTEPZURZ-HXUWFJFHSA-N 0 3 320.436 3.850 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(C1)CCCCC2 ZINC000433366789 338193882 /nfs/dbraw/zinc/19/38/82/338193882.db2.gz OSPKFQUHGPLVHH-GOSISDBHSA-N 0 3 310.441 3.942 20 30 DHEDHN N#Cc1ccc(OCCN2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434502697 338218876 /nfs/dbraw/zinc/21/88/76/338218876.db2.gz KUEASYZQJWNTJF-UHFFFAOYSA-N 0 3 324.399 3.898 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@H]2C(C)(C)O)cc1Cl ZINC000154445224 338243458 /nfs/dbraw/zinc/24/34/58/338243458.db2.gz OXBFMWZICPJAFT-INIZCTEOSA-N 0 3 309.837 3.640 20 30 DHEDHN C[C@H](NC[C@H]1Cc2ccccc2N(C)C1)c1ccc(C#N)cc1F ZINC000437081244 338299784 /nfs/dbraw/zinc/29/97/84/338299784.db2.gz YFDACTJXWUZHPW-GOEBONIOSA-N 0 3 323.415 3.657 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000442788693 338431432 /nfs/dbraw/zinc/43/14/32/338431432.db2.gz XGMXJAQBYFXRHD-PVXIVEMSSA-N 0 3 306.356 3.947 20 30 DHEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC1CCCC1 ZINC000442791586 338431749 /nfs/dbraw/zinc/43/17/49/338431749.db2.gz OBVDAFSNAMLUSF-GOEBONIOSA-N 0 3 314.429 3.798 20 30 DHEDHN C=C(C)COc1cc(CNC[C@@](C)(CC)OC)ccc1OC ZINC000449476735 338628613 /nfs/dbraw/zinc/62/86/13/338628613.db2.gz NMOSEEFJSRGQNF-GOSISDBHSA-N 0 3 307.434 3.555 20 30 DHEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)Cc1ccccc1 ZINC000450718374 338701010 /nfs/dbraw/zinc/70/10/10/338701010.db2.gz NHBAKTSGRMZJCB-RHSMWYFYSA-N 0 3 312.388 3.606 20 30 DHEDHN CC1(C)[C@H](NCc2ccc(Cl)cc2C#N)[C@H]2CCCO[C@H]21 ZINC000451481802 338736389 /nfs/dbraw/zinc/73/63/89/338736389.db2.gz UTEFTZYUEXEAGJ-BZUAXINKSA-N 0 3 304.821 3.505 20 30 DHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453346501 338828703 /nfs/dbraw/zinc/82/87/03/338828703.db2.gz IGHYXQDZLVJUAQ-HOTGVXAUSA-N 0 3 312.413 3.852 20 30 DHEDHN C=C(C)COCCNCc1sc(C)cc1Br ZINC000453575656 338848763 /nfs/dbraw/zinc/84/87/63/338848763.db2.gz UBRUPESVAUFFDU-UHFFFAOYSA-N 0 3 304.253 3.501 20 30 DHEDHN C[C@@H]1CCCC[C@]1(C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000459620382 339038952 /nfs/dbraw/zinc/03/89/52/339038952.db2.gz WCSQTEUOJMABSY-ACJLOTCBSA-N 0 3 310.401 3.667 20 30 DHEDHN C=CCc1cc(CN2CCCC[C@H]2COCC)cc(OC)c1O ZINC000459672358 339042169 /nfs/dbraw/zinc/04/21/69/339042169.db2.gz HZAQEWPFMICLPV-KRWDZBQOSA-N 0 3 319.445 3.520 20 30 DHEDHN C=C(C)COc1cc(CNCC(C)(C)CC#N)ccc1OC ZINC000459693638 339043358 /nfs/dbraw/zinc/04/33/58/339043358.db2.gz NTKUPYULAUFISS-UHFFFAOYSA-N 0 3 302.418 3.680 20 30 DHEDHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNCC(C)(C)CC#N ZINC000459704207 339043561 /nfs/dbraw/zinc/04/35/61/339043561.db2.gz XFKCYLZOWXSONS-UHFFFAOYSA-N 0 3 314.408 3.658 20 30 DHEDHN C[C@@H](CN(C)[C@@H](C)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000459787370 339048614 /nfs/dbraw/zinc/04/86/14/339048614.db2.gz BYSANFLMBMFITI-KBPBESRZSA-N 0 3 302.418 3.529 20 30 DHEDHN C[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000459787373 339048630 /nfs/dbraw/zinc/04/86/30/339048630.db2.gz BYSANFLMBMFITI-ZIAGYGMSSA-N 0 3 302.418 3.529 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)C2CCC(C)CC2)CC1 ZINC000461000269 339057064 /nfs/dbraw/zinc/05/70/64/339057064.db2.gz LCHQJYNKSDHEKS-TVPLGVNVSA-N 0 3 320.521 3.996 20 30 DHEDHN C=CCOc1ccccc1CNC[C@@H](C)Oc1ccccc1F ZINC000462739875 339086251 /nfs/dbraw/zinc/08/62/51/339086251.db2.gz XNKRYNHWUZJCJQ-OAHLLOKOSA-N 0 3 315.388 3.948 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](C)[C@@H]1C)C(C)C ZINC000465548531 339179297 /nfs/dbraw/zinc/17/92/97/339179297.db2.gz UUGZJRXSDCTKTR-OKZBNKHCSA-N 0 3 321.509 3.515 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](C)[C@H]1C)C(C)C ZINC000465548529 339179334 /nfs/dbraw/zinc/17/93/34/339179334.db2.gz UUGZJRXSDCTKTR-KZNAEPCWSA-N 0 3 321.509 3.515 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000466244054 339197644 /nfs/dbraw/zinc/19/76/44/339197644.db2.gz JASVACPEXJAHML-HKUYNNGSSA-N 0 3 314.473 3.712 20 30 DHEDHN N#Cc1cccc(CCNCc2sccc2Br)c1 ZINC000466422902 339204163 /nfs/dbraw/zinc/20/41/63/339204163.db2.gz BDBGKDDJMIQINW-UHFFFAOYSA-N 0 3 321.243 3.715 20 30 DHEDHN CCCn1c2ccccc2nc1CNCCc1cccc(C#N)c1 ZINC000466424624 339204365 /nfs/dbraw/zinc/20/43/65/339204365.db2.gz JFLSQALUDBEZJH-UHFFFAOYSA-N 0 3 318.424 3.650 20 30 DHEDHN N#Cc1cccc(CCN[C@H](c2ccccc2)c2ccccn2)c1 ZINC000467449724 339239466 /nfs/dbraw/zinc/23/94/66/339239466.db2.gz RHTKTGDMBAIOON-OAQYLSRUSA-N 0 3 313.404 3.875 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000467890162 339248740 /nfs/dbraw/zinc/24/87/40/339248740.db2.gz OOVCWDHWXSQEIK-WOJBJXKFSA-N 0 3 314.473 3.760 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000467904728 339249061 /nfs/dbraw/zinc/24/90/61/339249061.db2.gz WBZWCZMRANWJSK-QUCCMNQESA-N 0 3 314.473 3.616 20 30 DHEDHN Cc1ccc(CNC(=O)C(C)C#N)c(O[C@@H](C)CC(C)C)c1 ZINC000468254001 339257692 /nfs/dbraw/zinc/25/76/92/339257692.db2.gz ZGVSHYAPFHPDBS-CABCVRRESA-N 0 3 302.418 3.584 20 30 DHEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000468589912 339266930 /nfs/dbraw/zinc/26/69/30/339266930.db2.gz VSWCHNBLSCDYDQ-BDJLRTHQSA-N 0 3 316.763 3.844 20 30 DHEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000469378557 339287348 /nfs/dbraw/zinc/28/73/48/339287348.db2.gz HKCHRFGYXXBORE-SMDDNHRTSA-N 0 3 310.319 3.919 20 30 DHEDHN COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000469721555 339296606 /nfs/dbraw/zinc/29/66/06/339296606.db2.gz VEANAIRLLJDTSV-ZIAGYGMSSA-N 0 3 308.381 3.699 20 30 DHEDHN C=CCOCCCN1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000470718677 339326015 /nfs/dbraw/zinc/32/60/15/339326015.db2.gz WCMSRCLYQQDROB-INIZCTEOSA-N 0 3 322.880 3.611 20 30 DHEDHN C=CCOCCCN(C)Cc1ccc(Br)c(F)c1 ZINC000470872320 339329839 /nfs/dbraw/zinc/32/98/39/339329839.db2.gz RNRLQPOJDDKJGU-UHFFFAOYSA-N 0 3 316.214 3.613 20 30 DHEDHN C=C(C)CN(CCOCC(F)(F)C(F)F)Cc1ccccc1 ZINC000470924047 339331375 /nfs/dbraw/zinc/33/13/75/339331375.db2.gz SFNUADKEGMFGLU-UHFFFAOYSA-N 0 3 319.342 3.982 20 30 DHEDHN CC(C)C1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471037613 339335226 /nfs/dbraw/zinc/33/52/26/339335226.db2.gz FYSQELKGTSXADM-XBMUEBEBSA-N 0 3 323.440 3.572 20 30 DHEDHN CCC1(c2ccc(Cl)cc2)CCN(C(=O)C(C)C#N)CC1 ZINC000473332723 339384434 /nfs/dbraw/zinc/38/44/34/339384434.db2.gz XENBXJABWZKGFS-CYBMUJFWSA-N 0 3 304.821 3.770 20 30 DHEDHN C=C(C)COc1cccc(NC(=O)[C@@H](C)NC(C)(C)CC)c1 ZINC000476108473 339469598 /nfs/dbraw/zinc/46/95/98/339469598.db2.gz UTNUYBBRQAIDFJ-CQSZACIVSA-N 0 3 304.434 3.747 20 30 DHEDHN C=C(C)[C@@H](NC(=O)[C@H](CC)N(CC)CC)c1ccc(F)c(F)c1 ZINC000478908780 339524315 /nfs/dbraw/zinc/52/43/15/339524315.db2.gz JCCHZWOTWJQCIH-DLBZAZTESA-N 0 3 324.415 3.819 20 30 DHEDHN C=CCOc1ccccc1CNC[C@@](C)(O)C1CCCCC1 ZINC000480450053 339573367 /nfs/dbraw/zinc/57/33/67/339573367.db2.gz ARAXXEDTMMJAMB-LJQANCHMSA-N 0 3 303.446 3.672 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000481748827 339612835 /nfs/dbraw/zinc/61/28/35/339612835.db2.gz JYJGMQBTWVNYSM-ROUUACIJSA-N 0 3 305.849 3.875 20 30 DHEDHN Cc1cc(CN[C@@H](C)c2ccc(-n3cccn3)cc2)ccc1C#N ZINC000488169654 339772363 /nfs/dbraw/zinc/77/23/63/339772363.db2.gz NNMOWKSJEKWTFS-INIZCTEOSA-N 0 3 316.408 3.903 20 30 DHEDHN C=CCCC[C@H](C)NCc1cnc(-c2ccccc2OC)nc1 ZINC000491298885 339857034 /nfs/dbraw/zinc/85/70/34/339857034.db2.gz RBQCKGGSWNOBIE-HNNXBMFYSA-N 0 3 311.429 3.987 20 30 DHEDHN C#C[C@H](NC(=N)Nc1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000491452277 339862665 /nfs/dbraw/zinc/86/26/65/339862665.db2.gz KFZXDVAUSPBZFE-AWEZNQCLSA-N 0 3 319.742 3.929 20 30 DHEDHN C=C(C)CN1CCC(N[C@H](CCc2ccccc2)C(F)F)CC1 ZINC000498936394 340026518 /nfs/dbraw/zinc/02/65/18/340026518.db2.gz HEQZSOHFNDVNPN-GOSISDBHSA-N 0 3 322.443 3.883 20 30 DHEDHN C=CCN1CC[C@@H](NC(CC)(CC)c2ccc(Cl)cc2)C1=O ZINC000499515850 340038355 /nfs/dbraw/zinc/03/83/55/340038355.db2.gz CJCUFKSWYRVDPX-MRXNPFEDSA-N 0 3 320.864 3.732 20 30 DHEDHN C=CCN1CC[C@H](NC(CC)(CC)c2ccc(Cl)cc2)C1=O ZINC000499515849 340038412 /nfs/dbraw/zinc/03/84/12/340038412.db2.gz CJCUFKSWYRVDPX-INIZCTEOSA-N 0 3 320.864 3.732 20 30 DHEDHN COc1cc(C#N)ccc1CN[C@@]1(C)CCCc2ccccc21 ZINC000501211880 340076275 /nfs/dbraw/zinc/07/62/75/340076275.db2.gz YHYYWBCRJCOHDP-FQEVSTJZSA-N 0 3 306.409 3.908 20 30 DHEDHN C=CCCC[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000501562811 340083733 /nfs/dbraw/zinc/08/37/33/340083733.db2.gz BZKOGSBTOJQWAH-XYJFISCASA-N 0 3 317.477 3.722 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](c1ccc(F)cc1)C(C)C ZINC000502540288 340107359 /nfs/dbraw/zinc/10/73/59/340107359.db2.gz HKYWPLPYNVTXFF-YJBOKZPZSA-N 0 3 318.436 3.702 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000505059697 340160345 /nfs/dbraw/zinc/16/03/45/340160345.db2.gz AOEAINUZEBLRSI-DOTOQJQBSA-N 0 3 315.461 3.752 20 30 DHEDHN Cc1ccc(F)c(NC(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000505755000 340176668 /nfs/dbraw/zinc/17/66/68/340176668.db2.gz BESDBKIXXBPNIW-NSHDSACASA-N 0 3 317.389 3.960 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000505756773 340176830 /nfs/dbraw/zinc/17/68/30/340176830.db2.gz NZCWTLIHVXRXFB-CYBMUJFWSA-N 0 3 307.378 3.851 20 30 DHEDHN N#Cc1ccccc1N1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000507280499 340216579 /nfs/dbraw/zinc/21/65/79/340216579.db2.gz QUZWZJQNAVDHEG-OAQYLSRUSA-N 0 3 317.436 3.758 20 30 DHEDHN N#Cc1cccc(OCCCN2CCc3cc(F)ccc3C2)c1 ZINC000509420289 340268986 /nfs/dbraw/zinc/26/89/86/340268986.db2.gz XCEKLPUHTDHFKI-UHFFFAOYSA-N 0 3 310.372 3.525 20 30 DHEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCCOC1 ZINC000510113084 340289249 /nfs/dbraw/zinc/28/92/49/340289249.db2.gz OMZWQBXSQCRMMO-IBGZPJMESA-N 0 3 306.409 3.836 20 30 DHEDHN C=CCN(CCc1nc2ccccc2n1C)Cc1ccccc1 ZINC000510224799 340293227 /nfs/dbraw/zinc/29/32/27/340293227.db2.gz VNTPBZUHXNOHME-UHFFFAOYSA-N 0 3 305.425 3.804 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510552921 340302569 /nfs/dbraw/zinc/30/25/69/340302569.db2.gz QYENTWUTRGUDGC-BQFCYCMXSA-N 0 3 302.462 3.705 20 30 DHEDHN C=CCOc1ccc(CN(C)C[C@H]2OCCc3ccccc32)cc1 ZINC000511666087 340334556 /nfs/dbraw/zinc/33/45/56/340334556.db2.gz TYIJSAGEXNYWGC-OAQYLSRUSA-N 0 3 323.436 3.997 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1c(C)nc2ccccn21 ZINC000512050282 340346761 /nfs/dbraw/zinc/34/67/61/340346761.db2.gz CAZIIPZHEMQERR-UHFFFAOYSA-N 0 3 305.425 3.873 20 30 DHEDHN C=C(C)CN(CCCCC(C)(C)C#N)Cc1ccc(CO)o1 ZINC000512152698 340350100 /nfs/dbraw/zinc/35/01/00/340350100.db2.gz OKAYWAMEAGNFHK-UHFFFAOYSA-N 0 3 304.434 3.870 20 30 DHEDHN C=CCOc1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000512556621 340366717 /nfs/dbraw/zinc/36/67/17/340366717.db2.gz DUVSBMLQWYRPMQ-FNORWQNLSA-N 0 3 324.380 3.963 20 30 DHEDHN CC[C@@H]1CCCCN1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512612866 340368934 /nfs/dbraw/zinc/36/89/34/340368934.db2.gz QGYKWPIHUPBFJD-GOEBONIOSA-N 0 3 303.425 3.612 20 30 DHEDHN C=C(C)COc1cc(CN[C@@]2(CCC)CCOC2)ccc1OC ZINC000512873552 340381906 /nfs/dbraw/zinc/38/19/06/340381906.db2.gz BFESAJWOIPFBIW-IBGZPJMESA-N 0 3 319.445 3.699 20 30 DHEDHN C=CCOc1ccc(CNCCc2cc(C)no2)cc1Cl ZINC000513002408 340387833 /nfs/dbraw/zinc/38/78/33/340387833.db2.gz YNCAZEZDNNVCLK-UHFFFAOYSA-N 0 3 306.793 3.534 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(CC(C)C)C(CC)CC)CC1 ZINC000178666840 340451492 /nfs/dbraw/zinc/45/14/92/340451492.db2.gz YGYYKOYOSZGJFP-UHFFFAOYSA-N 0 3 323.525 3.883 20 30 DHEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000125610866 340805017 /nfs/dbraw/zinc/80/50/17/340805017.db2.gz CIUKGQGGROSEEJ-LBPRGKRZSA-N 0 3 303.324 3.829 20 30 DHEDHN CC#CCN[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000538151672 340811534 /nfs/dbraw/zinc/81/15/34/340811534.db2.gz UTGLVRLWPGBDGN-INIZCTEOSA-N 0 3 309.409 3.948 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000126870865 340838918 /nfs/dbraw/zinc/83/89/18/340838918.db2.gz YQLBJELCDCFCOX-INIZCTEOSA-N 0 3 306.494 3.750 20 30 DHEDHN C=CCNC(=O)CN[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000539291198 340879580 /nfs/dbraw/zinc/87/95/80/340879580.db2.gz UTXAJTHSKMAFFD-HNNXBMFYSA-N 0 3 308.853 3.709 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](CC(C)C)c1cccs1 ZINC000544452432 341082720 /nfs/dbraw/zinc/08/27/20/341082720.db2.gz RBKDBYKJYMAJST-OAHLLOKOSA-N 0 3 306.475 3.626 20 30 DHEDHN C[C@H](NCC#Cc1ccc(F)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000544514539 341084616 /nfs/dbraw/zinc/08/46/16/341084616.db2.gz ZQUSMMULAHIFHA-AUSJPIAWSA-N 0 3 309.384 3.720 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC2(CC)CCCCC2)CC1 ZINC000545158754 341110752 /nfs/dbraw/zinc/11/07/52/341110752.db2.gz RYUNXDCYUKTTDS-UHFFFAOYSA-N 0 3 321.509 3.687 20 30 DHEDHN N#Cc1cccc(CNCc2ccc(OC(F)(F)F)cc2)c1 ZINC000073380831 341116050 /nfs/dbraw/zinc/11/60/50/341116050.db2.gz HWKPVWCLUYFRBI-UHFFFAOYSA-N 0 3 306.287 3.747 20 30 DHEDHN C=CCN(CCc1scnc1C)Cc1ccc(OC)cc1 ZINC000074351057 341144567 /nfs/dbraw/zinc/14/45/67/341144567.db2.gz XLWRWVMXZFTAFY-UHFFFAOYSA-N 0 3 302.443 3.691 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000546935184 341187555 /nfs/dbraw/zinc/18/75/55/341187555.db2.gz DTDZUCUYWFGLHC-IRXDYDNUSA-N 0 3 302.462 3.767 20 30 DHEDHN C[C@H](Cc1ccc(Br)cc1)NCc1ccc(C#N)o1 ZINC000135150090 341232315 /nfs/dbraw/zinc/23/23/15/341232315.db2.gz CYEZPVFQHJDGLQ-LLVKDONJSA-N 0 3 319.202 3.635 20 30 DHEDHN C[C@@H](Cc1ccc(Br)cc1)NCc1ccc(C#N)o1 ZINC000135150069 341232289 /nfs/dbraw/zinc/23/22/89/341232289.db2.gz CYEZPVFQHJDGLQ-NSHDSACASA-N 0 3 319.202 3.635 20 30 DHEDHN CC(C)CO[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135287987 341235562 /nfs/dbraw/zinc/23/55/62/341235562.db2.gz XZSAVBMYQJCGNH-KRWDZBQOSA-N 0 3 300.446 3.735 20 30 DHEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000081014681 341277928 /nfs/dbraw/zinc/27/79/28/341277928.db2.gz DZCAJTXOFFMNBE-HXUWFJFHSA-N 0 3 305.425 3.659 20 30 DHEDHN Cn1cc2c(n1)CCC[C@H]2N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000548883356 341279800 /nfs/dbraw/zinc/27/98/00/341279800.db2.gz OMIDVNDQUBSCAF-RTBURBONSA-N 0 3 320.440 3.726 20 30 DHEDHN C[C@H](c1ccc(F)c(F)c1)N(C)CCOc1cccc(C#N)c1 ZINC000549181701 341288183 /nfs/dbraw/zinc/28/81/83/341288183.db2.gz UULWINCCKYBIJX-CYBMUJFWSA-N 0 3 316.351 3.908 20 30 DHEDHN CC(C)c1ccc(CN2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000549346179 341291994 /nfs/dbraw/zinc/29/19/94/341291994.db2.gz VTJHBEKUHVJYDG-ICSRJNTNSA-N 0 3 311.473 3.620 20 30 DHEDHN N#Cc1ccc(Br)c(CN2CC[C@@H](CC3CC3)C2)c1 ZINC000550041200 341308997 /nfs/dbraw/zinc/30/89/97/341308997.db2.gz XAMOPZZUVUKLSD-AWEZNQCLSA-N 0 3 319.246 3.943 20 30 DHEDHN C=CCN(CCc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000550306797 341314800 /nfs/dbraw/zinc/31/48/00/341314800.db2.gz JCEYNHBHQTXCLM-UHFFFAOYSA-N 0 3 311.425 3.935 20 30 DHEDHN C[C@@H](NC[C@@H](CO)C1CCCCC1)c1ccc(C#N)cc1F ZINC000550898119 341326237 /nfs/dbraw/zinc/32/62/37/341326237.db2.gz SBQBVLHDXZMVQJ-CJNGLKHVSA-N 0 3 304.409 3.537 20 30 DHEDHN CCC[C@@]1(NCc2ccc(C#N)cc2C(F)(F)F)CCOC1 ZINC000564377265 341334669 /nfs/dbraw/zinc/33/46/69/341334669.db2.gz GAOPEIGDYDOWOB-OAHLLOKOSA-N 0 3 312.335 3.626 20 30 DHEDHN Cc1cc(C)nc(NC2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000552066068 341366859 /nfs/dbraw/zinc/36/68/59/341366859.db2.gz YGDOMLMYRHJVHQ-UHFFFAOYSA-N 0 3 306.413 3.651 20 30 DHEDHN C=CCCCCCN(C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000564390091 341382898 /nfs/dbraw/zinc/38/28/98/341382898.db2.gz OBAVERSTLKOHIW-ZWKOTPCHSA-N 0 3 306.494 3.846 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000249056794 341392767 /nfs/dbraw/zinc/39/27/67/341392767.db2.gz YVIMKAQHDMTCBO-VVFCZOMOSA-N 0 3 312.413 3.581 20 30 DHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cc(F)c(F)c(F)c1 ZINC000090107506 341413541 /nfs/dbraw/zinc/41/35/41/341413541.db2.gz YXIDYQQYRJCJGT-NSHDSACASA-N 0 3 320.314 3.705 20 30 DHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cc(F)c(F)c(F)c1 ZINC000090107509 341413568 /nfs/dbraw/zinc/41/35/68/341413568.db2.gz YXIDYQQYRJCJGT-LLVKDONJSA-N 0 3 320.314 3.705 20 30 DHEDHN C[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000554559268 341458010 /nfs/dbraw/zinc/45/80/10/341458010.db2.gz GFHNGBBKHIJENL-KRWDZBQOSA-N 0 3 305.425 3.742 20 30 DHEDHN C=CCCc1ccccc1NC(=O)CCN(C)c1ccncc1 ZINC000554574238 341458655 /nfs/dbraw/zinc/45/86/55/341458655.db2.gz XMVBUFWNGGDXIN-UHFFFAOYSA-N 0 3 309.413 3.665 20 30 DHEDHN Cc1ccc([C@H](Cn2ccnc2)N[C@@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000567317030 341594698 /nfs/dbraw/zinc/59/46/98/341594698.db2.gz MZZQMOBPUBBNNV-LMMKCTJWSA-N 0 3 308.429 3.523 20 30 DHEDHN Cc1cccc(NC(=O)C[C@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000567856587 341637244 /nfs/dbraw/zinc/63/72/44/341637244.db2.gz MYXUBEVTWASXEJ-INIZCTEOSA-N 0 3 321.424 3.568 20 30 DHEDHN Cc1cccc(-c2n[nH]cc2CN2CCC(CCC#N)CC2)c1 ZINC000576466083 341847713 /nfs/dbraw/zinc/84/77/13/341847713.db2.gz VZNRYQYEWCLCBQ-UHFFFAOYSA-N 0 3 308.429 3.901 20 30 DHEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C12CCCC2 ZINC000178792389 341965058 /nfs/dbraw/zinc/96/50/58/341965058.db2.gz HFOTZLZYNDRUBJ-SJORKVTESA-N 0 3 302.393 3.525 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccc(COCC)cc2)cc1 ZINC000113320537 517302890 /nfs/dbraw/zinc/30/28/90/517302890.db2.gz UMIZLDCSDBGUGC-UHFFFAOYSA-N 0 3 323.436 3.915 20 30 DHEDHN CCOc1ccccc1[C@@H](CC)NC[C@H](O)c1ccc(C#N)cc1 ZINC000179754967 521576348 /nfs/dbraw/zinc/57/63/48/521576348.db2.gz QPGFLMRJMBYVDH-MOPGFXCFSA-N 0 3 324.424 3.731 20 30 DHEDHN COC(=O)CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000181941444 523118929 /nfs/dbraw/zinc/11/89/29/523118929.db2.gz QBZHGFQIRYPUOQ-KXBFYZLASA-N 0 3 322.408 3.903 20 30 DHEDHN Cc1cc(Cl)c2ncc(C#N)c(NCCN3CCCC3)c2c1 ZINC000338487686 524850797 /nfs/dbraw/zinc/85/07/97/524850797.db2.gz PZZNFXBRJNPNSZ-UHFFFAOYSA-N 0 3 314.820 3.576 20 30 DHEDHN Cc1ccccc1NC(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000266438281 525232666 /nfs/dbraw/zinc/23/26/66/525232666.db2.gz MESFIAXMBSUUBF-OAHLLOKOSA-N 0 3 307.397 3.546 20 30 DHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H]1OCCc2sccc21 ZINC000366422074 525436565 /nfs/dbraw/zinc/43/65/65/525436565.db2.gz RQKRJVHQYFULIT-APPDUMDISA-N 0 3 316.401 3.551 20 30 DHEDHN Cc1cccnc1[C@H](NCCOc1ccccc1C#N)C(C)C ZINC000265531599 525553280 /nfs/dbraw/zinc/55/32/80/525553280.db2.gz VIUJMAAJLISPMA-GOSISDBHSA-N 0 3 309.413 3.627 20 30 DHEDHN C[C@H](N[C@H]1c2ccccc2CC[C@@H]1CO)c1ccc(C#N)s1 ZINC000365092865 525639465 /nfs/dbraw/zinc/63/94/65/525639465.db2.gz JEBPKWVFPBGQJQ-WPKBUWHJSA-N 0 3 312.438 3.566 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2ccccc2CO)CC1 ZINC000364783788 526035292 /nfs/dbraw/zinc/03/52/92/526035292.db2.gz HNJUHCHFKAWGBR-INIZCTEOSA-N 0 3 320.436 3.991 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000182698356 526624968 /nfs/dbraw/zinc/62/49/68/526624968.db2.gz NWHWXNYNKACWRI-HZPDHXFCSA-N 0 3 320.364 3.518 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000182124463 526626710 /nfs/dbraw/zinc/62/67/10/526626710.db2.gz WPUVFOPXJCNYLU-ROUUACIJSA-N 0 3 312.800 3.831 20 30 DHEDHN Cc1sc(NC(=O)CN[C@@H]2CC[C@H](C)C[C@@H]2C)c(C#N)c1C ZINC000119517059 526881116 /nfs/dbraw/zinc/88/11/16/526881116.db2.gz FQSAKMLNLSSOOA-ZIBATOQPSA-N 0 3 319.474 3.589 20 30 DHEDHN Cc1sccc1CNCCSCc1ccccc1C#N ZINC000339176644 526913753 /nfs/dbraw/zinc/91/37/53/526913753.db2.gz YLEYZVRUWFQQFK-UHFFFAOYSA-N 0 3 302.468 3.951 20 30 DHEDHN C=CCN(Cc1ccccc1)c1cc(Cl)nc2c1CCNC2 ZINC001167126880 1013241622 /nfs/dbraw/zinc/24/16/22/1013241622.db2.gz UVHUBMRANNCMKW-UHFFFAOYSA-N 0 3 313.832 3.573 20 30 DHEDHN CCOc1ccc(CN2CCC(CCC#N)CC2)cc1OC ZINC000518980946 1013253937 /nfs/dbraw/zinc/25/39/37/1013253937.db2.gz YJFVYQLUWHKSSZ-UHFFFAOYSA-N 0 3 302.418 3.610 20 30 DHEDHN C=C(CC)CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001167130901 1013259342 /nfs/dbraw/zinc/25/93/42/1013259342.db2.gz JJPLBQKEPDSLBE-LSDHHAIUSA-N 0 3 300.229 3.850 20 30 DHEDHN Cc1cnc(N(CCC#N)Cc2ccc(Cl)cc2)cc1N ZINC001167140776 1013282114 /nfs/dbraw/zinc/28/21/14/1013282114.db2.gz ATDWYAAYVPHCIE-UHFFFAOYSA-N 0 3 300.793 3.546 20 30 DHEDHN COc1cccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000340153590 1013369754 /nfs/dbraw/zinc/36/97/54/1013369754.db2.gz TYJRTQDAORLOHI-UHFFFAOYSA-N 0 3 322.408 3.610 20 30 DHEDHN C#C[C@@H](N[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000894870042 1013570769 /nfs/dbraw/zinc/57/07/69/1013570769.db2.gz HPHNGUMBTYUQJB-GUYJKWIASA-N 0 3 322.246 3.669 20 30 DHEDHN C#C[C@@H](N[C@H]1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000894870204 1013572242 /nfs/dbraw/zinc/57/22/42/1013572242.db2.gz JGEGAXWMOLDYSR-LSDHHAIUSA-N 0 3 322.246 3.671 20 30 DHEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(C(C)(C)C)on1 ZINC000330881373 1013843281 /nfs/dbraw/zinc/84/32/81/1013843281.db2.gz AADBXODXMOGUSB-CYBMUJFWSA-N 0 3 307.438 3.541 20 30 DHEDHN Cc1noc(C(C)C)c1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330972670 1013850801 /nfs/dbraw/zinc/85/08/01/1013850801.db2.gz NFHTUECPXRTJHL-UHFFFAOYSA-N 0 3 307.438 3.533 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000048709583 1013929655 /nfs/dbraw/zinc/92/96/55/1013929655.db2.gz BWGVIUPMXPMFAI-AWEZNQCLSA-N 0 3 319.408 3.758 20 30 DHEDHN N#Cc1ccc(CN(C2CC2)[C@@H]2CCCc3ccccc32)nc1 ZINC000580445571 1014135832 /nfs/dbraw/zinc/13/58/32/1014135832.db2.gz KKUWUNJWJGFXJH-HXUWFJFHSA-N 0 3 303.409 3.995 20 30 DHEDHN CC(C)N(CCOc1ccccc1C#N)Cc1ccccc1F ZINC000521195553 1014665012 /nfs/dbraw/zinc/66/50/12/1014665012.db2.gz GXYHFYORYRXKSI-UHFFFAOYSA-N 0 3 312.388 3.987 20 30 DHEDHN COc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1OC1CCCC1 ZINC000442794299 1014735604 /nfs/dbraw/zinc/73/56/04/1014735604.db2.gz SUNMRFYLDPBMMN-ZBFHGGJFSA-N 0 3 314.429 3.798 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000521623296 1014745390 /nfs/dbraw/zinc/74/53/90/1014745390.db2.gz QJENJZLAMWPKSB-ZDUSSCGKSA-N 0 3 312.394 3.655 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NC2(c3cccc(Br)c3)CC2)C1 ZINC000442864620 1014752068 /nfs/dbraw/zinc/75/20/68/1014752068.db2.gz RXUWQFXWIDCPKX-BXUZGUMPSA-N 0 3 305.219 3.720 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@H](OC)C[C@@H]2C)ccc1OC ZINC000443071430 1014800842 /nfs/dbraw/zinc/80/08/42/1014800842.db2.gz SMJJCUYQYFIIPI-RDJZCZTQSA-N 0 3 319.445 3.649 20 30 DHEDHN CC(C)(NCc1cccc2c1NCCC2)c1cccc(C#N)c1 ZINC000895237156 1014974953 /nfs/dbraw/zinc/97/49/53/1014974953.db2.gz RJPSSAPOWKOQDG-UHFFFAOYSA-N 0 3 305.425 3.941 20 30 DHEDHN C=CCN(CCN(C)Cc1ccccc1)C(=O)OC(C)(C)C ZINC001207200135 1015083866 /nfs/dbraw/zinc/08/38/66/1015083866.db2.gz ZIQIIPQNTYVWQS-UHFFFAOYSA-N 0 3 304.434 3.542 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](CC)c1cccc(Cl)c1 ZINC000341282128 1015134044 /nfs/dbraw/zinc/13/40/44/1015134044.db2.gz HWKUZXANPRNSOP-INIZCTEOSA-N 0 3 308.853 3.805 20 30 DHEDHN CCOCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000178257410 1015528197 /nfs/dbraw/zinc/52/81/97/1015528197.db2.gz ITVVXFKCZWXAFL-ZDUSSCGKSA-N 0 3 312.369 3.601 20 30 DHEDHN CCOc1ccc(O)c(/C=N/C[C@H](c2ccccc2)N(C)C)c1 ZINC000022727996 1015709706 /nfs/dbraw/zinc/70/97/06/1015709706.db2.gz CATAHIUYIYPXRI-JZQBQCRLSA-N 0 3 312.413 3.513 20 30 DHEDHN Cc1cc(CNCc2ccc(Br)cc2)ccc1C#N ZINC000443956845 1015789346 /nfs/dbraw/zinc/78/93/46/1015789346.db2.gz HUDVTFWKZYELLG-UHFFFAOYSA-N 0 3 315.214 3.919 20 30 DHEDHN C=C1CC(c2noc(C3CCN(Cc4ccccc4)CC3)n2)C1 ZINC000896885556 1015798303 /nfs/dbraw/zinc/79/83/03/1015798303.db2.gz ZVQMPGPVJJPYFG-UHFFFAOYSA-N 0 3 309.413 3.883 20 30 DHEDHN C[C@H](NC1CCN(CC#N)CC1)c1cc(Cl)sc1Cl ZINC000610813652 1015863350 /nfs/dbraw/zinc/86/33/50/1015863350.db2.gz NVZHWPNJLFLYHY-VIFPVBQESA-N 0 3 318.273 3.693 20 30 DHEDHN C[C@@H](NC1CCN(CC#N)CC1)c1cc(Cl)sc1Cl ZINC000610813651 1015863552 /nfs/dbraw/zinc/86/35/52/1015863552.db2.gz NVZHWPNJLFLYHY-SECBINFHSA-N 0 3 318.273 3.693 20 30 DHEDHN CC[C@H](NCCOc1ccccc1C#N)c1cc(F)ccc1F ZINC000342020431 1015872730 /nfs/dbraw/zinc/87/27/30/1015872730.db2.gz ZUOYNMUDDBMTRR-KRWDZBQOSA-N 0 3 316.351 3.956 20 30 DHEDHN Cc1nc(C)c([C@@H](C)N(C)CCOc2cccc(C#N)c2)s1 ZINC000106875926 1016334401 /nfs/dbraw/zinc/33/44/01/1016334401.db2.gz FIDSBLMNLMGBGO-CYBMUJFWSA-N 0 3 315.442 3.703 20 30 DHEDHN C=CCCn1cc(CNCC2CCC(c3ccccc3)CC2)nn1 ZINC000657355424 1016426105 /nfs/dbraw/zinc/42/61/05/1016426105.db2.gz NICHGEBBVOLJBL-UHFFFAOYSA-N 0 3 324.472 3.918 20 30 DHEDHN CCOc1ccc([C@@H](COC)N[C@H](C)CC(C)(C)C#N)cc1 ZINC000926382659 1016559851 /nfs/dbraw/zinc/55/98/51/1016559851.db2.gz NUVZGSYPAYYGGP-RHSMWYFYSA-N 0 3 304.434 3.691 20 30 DHEDHN COc1cc(CN[C@@H]2CCc3cc(Cl)ccc32)ccc1C#N ZINC000281635996 1016632264 /nfs/dbraw/zinc/63/22/64/1016632264.db2.gz IOVOZWMYUVMEOO-QGZVFWFLSA-N 0 3 312.800 3.997 20 30 DHEDHN CCN(CC)[C@@H](CNc1nc(C)cc(C)c1C#N)c1ccco1 ZINC000346947996 1016650097 /nfs/dbraw/zinc/65/00/97/1016650097.db2.gz WDHOEBBARFTGHG-INIZCTEOSA-N 0 3 312.417 3.658 20 30 DHEDHN CCC#C[C@H](C)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000671249266 1016741730 /nfs/dbraw/zinc/74/17/30/1016741730.db2.gz ZUFHUTFXLZGJOX-NHYWBVRUSA-N 0 3 307.235 3.687 20 30 DHEDHN Cc1ccc(NC(=O)/C=C/c2ccccc2C#N)c(CN(C)C)c1 ZINC000072840007 1016928931 /nfs/dbraw/zinc/92/89/31/1016928931.db2.gz FOGMONBYMAAHFS-PKNBQFBNSA-N 0 3 319.408 3.580 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC000671312559 1016960310 /nfs/dbraw/zinc/96/03/10/1016960310.db2.gz SRFFQGVBGULFHV-GOSISDBHSA-N 0 3 321.848 3.907 20 30 DHEDHN C=CCCn1cc(CNC[C@H]2CCC[C@@H]2c2ccccc2)nn1 ZINC000657480514 1016994605 /nfs/dbraw/zinc/99/46/05/1016994605.db2.gz PYMXZMWSPNQKFX-IEBWSBKVSA-N 0 3 310.445 3.528 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000523007203 1017042568 /nfs/dbraw/zinc/04/25/68/1017042568.db2.gz BVNKOSKYVXAKBE-INIZCTEOSA-N 0 3 314.473 3.641 20 30 DHEDHN C=CCOc1c(Cl)cc(CNCCC(F)(F)F)cc1OC ZINC000623436261 1017044904 /nfs/dbraw/zinc/04/49/04/1017044904.db2.gz KYHFSTIAAZAVKW-UHFFFAOYSA-N 0 3 323.742 3.955 20 30 DHEDHN CCOC(CN(CC)Cc1ccccc1C(C)(C)C#N)OCC ZINC000846975375 1032174949 /nfs/dbraw/zinc/17/49/49/1032174949.db2.gz QFNDVBXQYRCGSE-UHFFFAOYSA-N 0 3 318.461 3.709 20 30 DHEDHN N#CC(C(=O)c1cc2c(s1)CCCC2)c1nc2ccccc2[nH]1 ZINC000046706200 1032181141 /nfs/dbraw/zinc/18/11/41/1032181141.db2.gz OXIFVTHMWWYNQV-GFCCVEGCSA-N 0 3 321.405 3.993 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1Cl)[C@@H]1CC[C@@H](C)C1 ZINC000362170813 1032260589 /nfs/dbraw/zinc/26/05/89/1032260589.db2.gz SSRHTZDBIJSNBI-CZUORRHYSA-N 0 3 306.837 3.849 20 30 DHEDHN COc1ccc(Cl)c2c1C[C@@H](N1CCC[C@H](CC#N)C1)CC2 ZINC001171322017 1032365912 /nfs/dbraw/zinc/36/59/12/1032365912.db2.gz QSJUCSRJIQUUKN-KGLIPLIRSA-N 0 3 318.848 3.832 20 30 DHEDHN C#CCOc1ccccc1CN[C@@H](CC)c1ccc2c(c1)CCO2 ZINC000772989619 1032379455 /nfs/dbraw/zinc/37/94/55/1032379455.db2.gz XHCNZLBSXDOEGG-IBGZPJMESA-N 0 3 321.420 3.874 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000121486104 1032450098 /nfs/dbraw/zinc/45/00/98/1032450098.db2.gz WCWGOZMHPSDWTP-IBGZPJMESA-N 0 3 312.457 3.708 20 30 DHEDHN C=C(C)COc1cc(CN(C)C[C@@H]2CCCCO2)ccc1OC ZINC000092428915 1032495297 /nfs/dbraw/zinc/49/52/97/1032495297.db2.gz IHXFCCFJKZVRMU-KRWDZBQOSA-N 0 3 319.445 3.651 20 30 DHEDHN COc1ccc(CN[C@@H](C)c2cc3c(s2)CCC3)cc1C#N ZINC000773075735 1032547711 /nfs/dbraw/zinc/54/77/11/1032547711.db2.gz JUEJSEWXTOWTGH-LBPRGKRZSA-N 0 3 312.438 3.968 20 30 DHEDHN C#CC[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000773112904 1032563340 /nfs/dbraw/zinc/56/33/40/1032563340.db2.gz BNTNPRYETFPPLJ-DNVCBOLYSA-N 0 3 318.420 3.987 20 30 DHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000424317681 1011976098 /nfs/dbraw/zinc/97/60/98/1011976098.db2.gz CDJRHZUJVCQVPW-NVBFEUDRSA-N 0 3 309.335 3.760 20 30 DHEDHN Cc1c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000424321684 1011979874 /nfs/dbraw/zinc/97/98/74/1011979874.db2.gz HQGGEZCLSQAVLW-IVMMDQJWSA-N 0 3 312.392 3.663 20 30 DHEDHN N=C(N[C@@H]1CCc2c(F)cccc2C1)c1ccc2ccccc2n1 ZINC001171410165 1032610110 /nfs/dbraw/zinc/61/01/10/1032610110.db2.gz TUXFXRWCIPYOJI-OAHLLOKOSA-N 0 3 319.383 3.637 20 30 DHEDHN COCCOc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425365852 1012493273 /nfs/dbraw/zinc/49/32/73/1012493273.db2.gz NKDNSYDNEKLTER-MRXNPFEDSA-N 0 3 324.424 3.776 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@H]3COCC[C@H]32)cc1Cl ZINC000537687493 1032643925 /nfs/dbraw/zinc/64/39/25/1032643925.db2.gz IUPQAGNEEOCQLW-DOTOQJQBSA-N 0 3 321.848 3.906 20 30 DHEDHN CCCCCCCCNCc1cn(C)nc1Br ZINC000712481574 1012861603 /nfs/dbraw/zinc/86/16/03/1012861603.db2.gz IFNNIZAVERKQAE-UHFFFAOYSA-N 0 3 302.260 3.633 20 30 DHEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000342732911 1017124241 /nfs/dbraw/zinc/12/42/41/1017124241.db2.gz FGTJJWVVXCYMKS-UONOGXRCSA-N 0 3 300.402 3.506 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N1CCC(C)CC1)c1ccccc1 ZINC000180037391 1017357438 /nfs/dbraw/zinc/35/74/38/1017357438.db2.gz NNQDJEGBJBQRKW-GOSISDBHSA-N 0 3 300.446 3.542 20 30 DHEDHN CC#CCN[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180604608 1017488105 /nfs/dbraw/zinc/48/81/05/1017488105.db2.gz PJHOHHDDHQWNEE-CQSZACIVSA-N 0 3 310.372 3.752 20 30 DHEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(-n2cccn2)cc1 ZINC000180823588 1017511491 /nfs/dbraw/zinc/51/14/91/1017511491.db2.gz ATHSOXHHRSHHQO-MRXNPFEDSA-N 0 3 319.383 3.714 20 30 DHEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCCO1 ZINC000623918050 1017587301 /nfs/dbraw/zinc/58/73/01/1017587301.db2.gz GCCXGJJBQKBXMQ-CZUORRHYSA-N 0 3 311.347 3.604 20 30 DHEDHN CC(C)[Si](C#CNCc1ccnc(N)c1)(C(C)C)C(C)C ZINC001167617379 1017616348 /nfs/dbraw/zinc/61/63/48/1017616348.db2.gz LJJUAUGSSJSTCE-UHFFFAOYSA-N 0 3 303.526 3.932 20 30 DHEDHN CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCC1 ZINC000444773710 1017671602 /nfs/dbraw/zinc/67/16/02/1017671602.db2.gz FPCWUQGWTGVVEV-UHFFFAOYSA-N 0 3 310.401 3.619 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@H](CO)c1ccccc1C(F)(F)F ZINC000897330089 1017677595 /nfs/dbraw/zinc/67/75/95/1017677595.db2.gz FOHXXNGSVSBYOU-BXUZGUMPSA-N 0 3 314.351 3.657 20 30 DHEDHN C=CCOCCCNCc1c(Cl)cccc1N1CCCC1 ZINC000657657815 1017683997 /nfs/dbraw/zinc/68/39/97/1017683997.db2.gz DTRBQLDLCJROIF-UHFFFAOYSA-N 0 3 308.853 3.623 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC)c1cccc(Cl)c1 ZINC000195673500 1017689406 /nfs/dbraw/zinc/68/94/06/1017689406.db2.gz CTTPASIUABBSJY-INIZCTEOSA-N 0 3 306.837 3.581 20 30 DHEDHN CN(C)/C=N/c1ccc(NCc2cccc3ncoc32)cc1C#N ZINC001171457916 1032717002 /nfs/dbraw/zinc/71/70/02/1032717002.db2.gz ZBSAOVCUQCLJBT-SRZZPIQSSA-N 0 3 319.368 3.533 20 30 DHEDHN N#Cc1cc(CNCCSCc2ccccc2C#N)cs1 ZINC000921510318 1017713861 /nfs/dbraw/zinc/71/38/61/1017713861.db2.gz XVKJOXFCDYCJDI-UHFFFAOYSA-N 0 3 313.451 3.514 20 30 DHEDHN C=CCC[C@@H](NC[C@H]1c2ccccc2C(=O)N1C)c1ccco1 ZINC000624186142 1017753365 /nfs/dbraw/zinc/75/33/65/1017753365.db2.gz AWBWOHCUYRZUNO-SJORKVTESA-N 0 3 310.397 3.703 20 30 DHEDHN N#Cc1ccc(CN(CCCO)Cc2cccc(Cl)c2)cc1 ZINC000134287571 1017789944 /nfs/dbraw/zinc/78/99/44/1017789944.db2.gz GZPFPPXKQYJTJC-UHFFFAOYSA-N 0 3 314.816 3.596 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCCC[C@H]2CC)CC1 ZINC000150746504 1018041660 /nfs/dbraw/zinc/04/16/60/1018041660.db2.gz JKJHMRCUUFOZLI-AEFFLSMTSA-N 0 3 321.509 3.637 20 30 DHEDHN C=CC[C@H](CO)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000184271651 1018072571 /nfs/dbraw/zinc/07/25/71/1018072571.db2.gz RQRKHMQHHXJVCW-GFCCVEGCSA-N 0 3 314.410 3.583 20 30 DHEDHN C=CCN1CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000178800360 1018144522 /nfs/dbraw/zinc/14/45/22/1018144522.db2.gz GEFIBJCXESRNRD-UHFFFAOYSA-N 0 3 309.335 3.639 20 30 DHEDHN C#C[C@@H](NCc1ccc(OC)c(Br)c1)C(C)(C)C ZINC000702315949 1018166611 /nfs/dbraw/zinc/16/66/11/1018166611.db2.gz WMPWFOHYTLLWMN-CQSZACIVSA-N 0 3 310.235 3.595 20 30 DHEDHN COc1ccc(C#N)cc1CN1CCC(c2ccccc2)CC1 ZINC000446763955 1018239476 /nfs/dbraw/zinc/23/94/76/1018239476.db2.gz BEPUTPYWBFFFME-UHFFFAOYSA-N 0 3 306.409 3.946 20 30 DHEDHN CC[C@@H](NCc1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000278175825 1018281001 /nfs/dbraw/zinc/28/10/01/1018281001.db2.gz CZOKEGMYHVCHDZ-QGZVFWFLSA-N 0 3 308.381 3.570 20 30 DHEDHN C=CCOc1ccc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)cc1 ZINC000447081341 1018325008 /nfs/dbraw/zinc/32/50/08/1018325008.db2.gz FFAMMYHTCITJMM-UHFFFAOYSA-N 0 3 313.445 3.904 20 30 DHEDHN N#CC(C(=O)CCC(F)F)c1nc2ccccc2n1C(F)F ZINC000796649541 1018385248 /nfs/dbraw/zinc/38/52/48/1018385248.db2.gz IJZCMDRZIDVGBO-MRVPVSSYSA-N 0 3 313.254 3.653 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccccc1Br ZINC000675502490 1018513567 /nfs/dbraw/zinc/51/35/67/1018513567.db2.gz RPYDDUVTKHGZGR-CJNGLKHVSA-N 0 3 324.262 3.913 20 30 DHEDHN N#CCC1(N[C@@H]2CCc3cc(F)c(F)c(F)c3C2)CCCC1 ZINC001171527325 1032770066 /nfs/dbraw/zinc/77/00/66/1032770066.db2.gz BNFLSVHSGWGKHH-GFCCVEGCSA-N 0 3 308.347 3.777 20 30 DHEDHN COC(=O)CC1(NCc2ccc(C#N)cc2Cl)CCCCC1 ZINC000527377719 1018566825 /nfs/dbraw/zinc/56/68/25/1018566825.db2.gz LZEALXCPJWTTEU-UHFFFAOYSA-N 0 3 320.820 3.567 20 30 DHEDHN CCCCCCCNCc1c(Br)c(C)nn1C ZINC000705837619 1018678277 /nfs/dbraw/zinc/67/82/77/1018678277.db2.gz DAJAQJCRSHWGHX-UHFFFAOYSA-N 0 3 302.260 3.551 20 30 DHEDHN Cc1cccc2c1CC[C@@H](NC(=N)c1ccc3ccccc3n1)C2 ZINC001171559775 1032780103 /nfs/dbraw/zinc/78/01/03/1032780103.db2.gz MQNMAXFVRMCGAV-QGZVFWFLSA-N 0 3 315.420 3.806 20 30 DHEDHN CN(C)/C=N/c1ccc(N[C@H]2CCCc3cccnc32)cc1C#N ZINC001168661518 1018757800 /nfs/dbraw/zinc/75/78/00/1018757800.db2.gz PMVPBVHKIXAHMA-ZFJBLLOBSA-N 0 3 319.412 3.664 20 30 DHEDHN CC(C)(C)c1ccc([C@@H](O)CNCc2csc(C#N)c2)cc1 ZINC000921749800 1018760421 /nfs/dbraw/zinc/76/04/21/1018760421.db2.gz QMBQSXTURBOFOT-KRWDZBQOSA-N 0 3 314.454 3.740 20 30 DHEDHN CC[C@H](C)[C@H](C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000584056094 1018907928 /nfs/dbraw/zinc/90/79/28/1018907928.db2.gz DVBLCULINIPATD-STQMWFEESA-N 0 3 301.390 3.865 20 30 DHEDHN C[C@H](c1ccc(F)cc1)N1CCCN(c2ccccc2C#N)CC1 ZINC000052801171 1018941606 /nfs/dbraw/zinc/94/16/06/1018941606.db2.gz MICCUZXBAVHAPD-MRXNPFEDSA-N 0 3 323.415 3.971 20 30 DHEDHN CCCN(Cc1nc(C#N)cs1)[C@@H]1CCc2ccccc2C1 ZINC000584144872 1018980588 /nfs/dbraw/zinc/98/05/88/1018980588.db2.gz RZZRRFIRBWNSKQ-QGZVFWFLSA-N 0 3 311.454 3.784 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@@]2(C)CCOc3ccccc32)cc1 ZINC000923025360 1018991172 /nfs/dbraw/zinc/99/11/72/1018991172.db2.gz NYBLCYYVRPYCNG-QRWLVFNGSA-N 0 3 322.408 3.765 20 30 DHEDHN N#CC(C(=O)Nc1ccccc1F)c1nc2ccccc2s1 ZINC000338627728 1019365380 /nfs/dbraw/zinc/36/53/80/1019365380.db2.gz RNXXDFDRCNEHDH-SNVBAGLBSA-N 0 3 311.341 3.681 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000922072435 1019396560 /nfs/dbraw/zinc/39/65/60/1019396560.db2.gz IONLVAWAKDBMEC-LJQANCHMSA-N 0 3 304.393 3.660 20 30 DHEDHN N#CCC[C@@H](N[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000611337065 1019448178 /nfs/dbraw/zinc/44/81/78/1019448178.db2.gz OCINGTVIFMFBQD-AZUAARDMSA-N 0 3 305.425 3.900 20 30 DHEDHN C#CCN(Cc1ccc2nccnc2c1)[C@@H]1CCc2ccccc21 ZINC001137088700 1032831763 /nfs/dbraw/zinc/83/17/63/1032831763.db2.gz MFVGVMSUKGCKGY-OAQYLSRUSA-N 0 3 313.404 3.753 20 30 DHEDHN C[C@H](NCc1ccnc(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000611402476 1019472062 /nfs/dbraw/zinc/47/20/62/1019472062.db2.gz BHJYGXVJLDGYBV-HNNXBMFYSA-N 0 3 314.392 3.866 20 30 DHEDHN C=CCOc1ccccc1CN1CCC(OCC(C)C)CC1 ZINC000092223174 1019487087 /nfs/dbraw/zinc/48/70/87/1019487087.db2.gz WSDVMJFPORICOX-UHFFFAOYSA-N 0 3 303.446 3.888 20 30 DHEDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000255620102 1019521466 /nfs/dbraw/zinc/52/14/66/1019521466.db2.gz NSPMCEOCNBXPTG-XQRVVYSFSA-N 0 3 307.353 3.612 20 30 DHEDHN N=C(N[C@@H]1Cc2cccc(Cl)c2C1)c1ccc2ccccc2n1 ZINC001168703159 1019573811 /nfs/dbraw/zinc/57/38/11/1019573811.db2.gz APBNTIVBVLLRRZ-CQSZACIVSA-N 0 3 321.811 3.761 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000255603698 1019868428 /nfs/dbraw/zinc/86/84/28/1019868428.db2.gz SRBFIPWLCKFEKL-CCNLRRDASA-N 0 3 304.434 3.615 20 30 DHEDHN COC(=O)CCCN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000116387105 1019875173 /nfs/dbraw/zinc/87/51/73/1019875173.db2.gz DFQQRTOMZLUMGS-UHFFFAOYSA-N 0 3 322.408 3.514 20 30 DHEDHN C=C(C)CN1CCC(NC(=S)Nc2ccccc2CC)CC1 ZINC000729942087 1019926339 /nfs/dbraw/zinc/92/63/39/1019926339.db2.gz IQZJIVYGVQEBDA-UHFFFAOYSA-N 0 3 317.502 3.576 20 30 DHEDHN N#Cc1ccc2c(c1)CCN([C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168721673 1019973939 /nfs/dbraw/zinc/97/39/39/1019973939.db2.gz QSLDBDSCZCXLCQ-QGZVFWFLSA-N 0 3 308.812 3.737 20 30 DHEDHN C[C@H](NCc1ccccc1N(C)C)c1ccc(OCC#N)cc1 ZINC000264229777 1032882064 /nfs/dbraw/zinc/88/20/64/1032882064.db2.gz ABIOMOQJDDIBHX-HNNXBMFYSA-N 0 3 309.413 3.506 20 30 DHEDHN C=CCN1CCC(NC(=O)/C=C(/CC)c2ccc(C)cc2)CC1 ZINC000255659374 1020210395 /nfs/dbraw/zinc/21/03/95/1020210395.db2.gz PHPZBHDDEBZGPG-ICFOKQHNSA-N 0 3 312.457 3.555 20 30 DHEDHN N#CC(C(=O)[C@@H]1CCOC2(CCC2)C1)c1ccc2ccccc2n1 ZINC000892425317 1020211237 /nfs/dbraw/zinc/21/12/37/1020211237.db2.gz ABYOEPUONZEVPT-CVEARBPZSA-N 0 3 320.392 3.760 20 30 DHEDHN CCCCCCCCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000732442890 1020243523 /nfs/dbraw/zinc/24/35/23/1020243523.db2.gz BPBZAUYSXMXTII-KRWDZBQOSA-N 0 3 309.498 3.615 20 30 DHEDHN CCOc1cccc(CN[C@H](CCC#N)c2ccccc2)c1O ZINC000130424684 1032887198 /nfs/dbraw/zinc/88/71/98/1032887198.db2.gz DACRQVZUZSXUII-QGZVFWFLSA-N 0 3 310.397 3.926 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000331291708 1020261669 /nfs/dbraw/zinc/26/16/69/1020261669.db2.gz WOSCRJUPANCFIL-YOEHRIQHSA-N 0 3 314.429 3.673 20 30 DHEDHN C=C(C)COCCN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000090451460 1020333855 /nfs/dbraw/zinc/33/38/55/1020333855.db2.gz LNPAQYNDJSZVLM-NSHDSACASA-N 0 3 303.324 3.670 20 30 DHEDHN C#CCOc1ccc(CN[C@@H]2CSCc3ccccc32)cc1 ZINC000733325954 1020373027 /nfs/dbraw/zinc/37/30/27/1020373027.db2.gz ASXWZLRALJZTQO-LJQANCHMSA-N 0 3 309.434 3.776 20 30 DHEDHN C=C1CC(C)(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001171814032 1032900921 /nfs/dbraw/zinc/90/09/21/1032900921.db2.gz FFXREWMEBOFBSU-GOSISDBHSA-N 0 3 312.457 3.514 20 30 DHEDHN C#Cc1cccc(NC(=O)c2oc3ccccc3c2CN(C)C)c1 ZINC000733876039 1020452808 /nfs/dbraw/zinc/45/28/08/1020452808.db2.gz KZYOLBLFSNDMRU-UHFFFAOYSA-N 0 3 318.376 3.728 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccc(OCC#N)cc1 ZINC000921693093 1020501089 /nfs/dbraw/zinc/50/10/89/1020501089.db2.gz IAKZXBBGFSPFNS-LSDHHAIUSA-N 0 3 322.408 3.763 20 30 DHEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000892494049 1020542017 /nfs/dbraw/zinc/54/20/17/1020542017.db2.gz ZAIWVLFVGGOCJN-HNNXBMFYSA-N 0 3 316.788 3.734 20 30 DHEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1c1cccc(C)c1C ZINC000303861674 1020609389 /nfs/dbraw/zinc/60/93/89/1020609389.db2.gz GPONKVFOGPIYJY-LJQANCHMSA-N 0 3 312.457 3.641 20 30 DHEDHN C=CC[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccncc1 ZINC000734510438 1020617064 /nfs/dbraw/zinc/61/70/64/1020617064.db2.gz VBMZRYFFGPPQOD-HNAYVOBHSA-N 0 3 307.397 3.779 20 30 DHEDHN CC(C)[C@H]1CCCN1Cc1ccc(C#N)cc1Br ZINC000480654739 1020745913 /nfs/dbraw/zinc/74/59/13/1020745913.db2.gz RJFBQBMWCOSKCN-OAHLLOKOSA-N 0 3 307.235 3.941 20 30 DHEDHN N#Cc1ccc(CN(C2CC2)[C@H]2CCCc3ccccc32)nc1 ZINC000580445570 1020839871 /nfs/dbraw/zinc/83/98/71/1020839871.db2.gz KKUWUNJWJGFXJH-FQEVSTJZSA-N 0 3 303.409 3.995 20 30 DHEDHN CCOc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000580863605 1020865618 /nfs/dbraw/zinc/86/56/18/1020865618.db2.gz YCEBWVCDGXZYPI-AWEZNQCLSA-N 0 3 310.397 3.816 20 30 DHEDHN CCOc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000580863607 1020866691 /nfs/dbraw/zinc/86/66/91/1020866691.db2.gz YCEBWVCDGXZYPI-CQSZACIVSA-N 0 3 310.397 3.816 20 30 DHEDHN CC(C)CN(CCC#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000739915317 1020924137 /nfs/dbraw/zinc/92/41/37/1020924137.db2.gz YFRQGOUEWZFSLG-UHFFFAOYSA-N 0 3 323.481 3.505 20 30 DHEDHN N#Cc1ccc(-c2cccc(CNCc3ccncc3)c2)s1 ZINC000740013252 1020927097 /nfs/dbraw/zinc/92/70/97/1020927097.db2.gz BBAHUEMXGHCWOV-UHFFFAOYSA-N 0 3 305.406 3.972 20 30 DHEDHN C=C[C@H](COC)N[C@@H](C)c1cc(C)c(Br)s1 ZINC000309414875 1020990908 /nfs/dbraw/zinc/99/09/08/1020990908.db2.gz CJMUOPBZJFVDQB-VHSXEESVSA-N 0 3 304.253 3.671 20 30 DHEDHN Cc1cccc(C2(O)CCN(Cc3cccc(C#N)c3)CC2)c1C ZINC000741812121 1021056268 /nfs/dbraw/zinc/05/62/68/1021056268.db2.gz VBYWNYJEGPONLF-UHFFFAOYSA-N 0 3 320.436 3.659 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(COC)cc2)c1 ZINC000742371422 1021112833 /nfs/dbraw/zinc/11/28/33/1021112833.db2.gz WAHYFOQYPGHKDK-IBGZPJMESA-N 0 3 324.424 3.804 20 30 DHEDHN COc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)ccc1F ZINC000180550347 1021130673 /nfs/dbraw/zinc/13/06/73/1021130673.db2.gz WWKHYPVYKPYAER-CYBMUJFWSA-N 0 3 314.360 3.587 20 30 DHEDHN C[C@@H]1Cc2cc(C(=O)C(C#N)c3nc(C4CC4)cs3)ccc2O1 ZINC000659116537 1021178717 /nfs/dbraw/zinc/17/87/17/1021178717.db2.gz ZZMUBIWOTHIGOC-YGRLFVJLSA-N 0 3 324.405 3.834 20 30 DHEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177370288 1021255977 /nfs/dbraw/zinc/25/59/77/1021255977.db2.gz VHSGLKDHLJLWPZ-LLVKDONJSA-N 0 3 307.463 3.543 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(CO)c2)c1 ZINC000776311446 1021279699 /nfs/dbraw/zinc/27/96/99/1021279699.db2.gz ZAHJXCIVESZDGT-HNAYVOBHSA-N 0 3 324.424 3.711 20 30 DHEDHN COc1ccc(CNN=Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000917547356 1021290952 /nfs/dbraw/zinc/29/09/52/1021290952.db2.gz PHORSWQRKOFLSU-UHFFFAOYSA-N 0 3 323.440 3.809 20 30 DHEDHN CCCCCC[C@@H](C)NN=Cc1ccc(N2CCOCC2)cc1 ZINC000743450867 1021294848 /nfs/dbraw/zinc/29/48/48/1021294848.db2.gz SDWQOUZKLDWCJS-QGZVFWFLSA-N 0 3 317.477 3.806 20 30 DHEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000744028480 1021406098 /nfs/dbraw/zinc/40/60/98/1021406098.db2.gz IBGHTMDHMMLCGX-CJNGLKHVSA-N 0 3 314.429 3.895 20 30 DHEDHN COCCCOc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000182056193 1021462217 /nfs/dbraw/zinc/46/22/17/1021462217.db2.gz ODCIFXLISCOPPA-MRXNPFEDSA-N 0 3 324.424 3.824 20 30 DHEDHN C#CCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000850356496 1021485515 /nfs/dbraw/zinc/48/55/15/1021485515.db2.gz QBIXQOFZTIZCHA-UHFFFAOYSA-N 0 3 304.393 3.595 20 30 DHEDHN C#CCCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000850357133 1021486713 /nfs/dbraw/zinc/48/67/13/1021486713.db2.gz YZUKMVADDKKGKF-UHFFFAOYSA-N 0 3 318.420 3.985 20 30 DHEDHN C#CC[C@H](NCc1ccc(OCOCC)cc1)c1ccccc1 ZINC000782962472 1021494373 /nfs/dbraw/zinc/49/43/73/1021494373.db2.gz BFRXFYSCEUOYCA-FQEVSTJZSA-N 0 3 309.409 3.914 20 30 DHEDHN COc1cc(C)c(CN[C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618742150 1021502255 /nfs/dbraw/zinc/50/22/55/1021502255.db2.gz RWQUDRJWSMDYFT-GOSISDBHSA-N 0 3 322.408 3.661 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CNC(C)(C)C(=O)Nc1ccccc1 ZINC000930024644 1021524307 /nfs/dbraw/zinc/52/43/07/1021524307.db2.gz VPGWFSKZUCLXAT-UHFFFAOYSA-N 0 3 321.424 3.682 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000618805607 1021530915 /nfs/dbraw/zinc/53/09/15/1021530915.db2.gz OTQSNXNVDIGTRH-KZULUSFZSA-N 0 3 307.353 3.805 20 30 DHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000618806191 1021531354 /nfs/dbraw/zinc/53/13/54/1021531354.db2.gz OXKLRHYDMAFBLN-KPZWWZAWSA-N 0 3 307.353 3.805 20 30 DHEDHN Cc1nc2c(s1)[C@@H](N[C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618806212 1021531526 /nfs/dbraw/zinc/53/15/26/1021531526.db2.gz QALYSZUNHZJLKG-RDJZCZTQSA-N 0 3 309.438 3.978 20 30 DHEDHN COc1cc(CN[C@H](C)c2ccc3c(c2)CCCO3)ccc1C#N ZINC000850467975 1021552736 /nfs/dbraw/zinc/55/27/36/1021552736.db2.gz CBAAFXPNMJCTHX-CQSZACIVSA-N 0 3 322.408 3.743 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@H](O)c2ccccc21 ZINC000850529380 1021582498 /nfs/dbraw/zinc/58/24/98/1021582498.db2.gz QWWNVBUOZXMNHH-ZCNNSNEGSA-N 0 3 304.393 3.704 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(CC(C)C)CC(C)(C)C)CC1 ZINC000129969060 1021587629 /nfs/dbraw/zinc/58/76/29/1021587629.db2.gz KLCLYGXWNMSNPL-UHFFFAOYSA-N 0 3 323.525 3.741 20 30 DHEDHN N#Cc1cccc(CN2CC[C@H](Cc3ccc(F)cc3)C2)c1F ZINC000538149374 1033001600 /nfs/dbraw/zinc/00/16/00/1033001600.db2.gz XBRYFGXPLCILBW-OAHLLOKOSA-N 0 3 312.363 3.901 20 30 DHEDHN N#CC(C(=O)c1ccc(CF)cc1)c1nc(C2CC2)cs1 ZINC000851100896 1021738680 /nfs/dbraw/zinc/73/86/80/1021738680.db2.gz QJPBSVWPAVIQDZ-ZDUSSCGKSA-N 0 3 300.358 3.980 20 30 DHEDHN C[C@H]1CCCC[C@@H]1N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173190496 1021751210 /nfs/dbraw/zinc/75/12/10/1021751210.db2.gz BCWFBIQWDTYGQV-BBRMVZONSA-N 0 3 310.401 3.619 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000619755223 1021866688 /nfs/dbraw/zinc/86/66/88/1021866688.db2.gz CWUHFMFYZSMZAK-LLVKDONJSA-N 0 3 314.772 3.791 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000153195458 1022009787 /nfs/dbraw/zinc/00/97/87/1022009787.db2.gz VLZCDSSIOFFYOY-QFBILLFUSA-N 0 3 312.457 3.534 20 30 DHEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCC(C)(C)C#N ZINC000776581819 1022101193 /nfs/dbraw/zinc/10/11/93/1022101193.db2.gz MOZPBDAWXBLONK-CABCVRRESA-N 0 3 323.481 3.694 20 30 DHEDHN C#CCCN(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000920416187 1022117072 /nfs/dbraw/zinc/11/70/72/1022117072.db2.gz UFFCWZKHOPZYCV-UHFFFAOYSA-N 0 3 309.409 3.729 20 30 DHEDHN N#CC(C(=O)c1ccoc1)c1nc2ccccc2n1C(F)F ZINC000041557683 1022172385 /nfs/dbraw/zinc/17/23/85/1022172385.db2.gz SUGQYPHCIXJBDT-SNVBAGLBSA-N 0 3 301.252 3.514 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cccc(OC)c2)c([O-])c1 ZINC000920942293 1022192370 /nfs/dbraw/zinc/19/23/70/1022192370.db2.gz WUJODNWOQRVZSI-ZHZULCJRSA-N 0 3 312.413 3.866 20 30 DHEDHN C=C(CNCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 ZINC000620757808 1022284640 /nfs/dbraw/zinc/28/46/40/1022284640.db2.gz KSEMPSNRUOJLSM-UHFFFAOYSA-N 0 3 315.800 3.914 20 30 DHEDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](CC#N)C3)c2c1 ZINC000853525604 1022287079 /nfs/dbraw/zinc/28/70/79/1022287079.db2.gz GYUIJHNPLWHVGN-CQSZACIVSA-N 0 3 310.397 3.680 20 30 DHEDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](CC#N)C3)c2c1 ZINC000853525604 1022287085 /nfs/dbraw/zinc/28/70/85/1022287085.db2.gz GYUIJHNPLWHVGN-CQSZACIVSA-N 0 3 310.397 3.680 20 30 DHEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccc(F)cc1F ZINC000181594111 1022312449 /nfs/dbraw/zinc/31/24/49/1022312449.db2.gz WUYPZEAADSMWAD-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN N#Cc1ccc(OCCN2CCS[C@H](c3ccccc3)C2)cc1 ZINC000609800580 1022354354 /nfs/dbraw/zinc/35/43/54/1022354354.db2.gz OLXSWCLHZMPJOO-IBGZPJMESA-N 0 3 324.449 3.727 20 30 DHEDHN C#CCCOc1ccc(CNCc2cc3ccccc3[nH]2)cc1 ZINC000113330907 1022635293 /nfs/dbraw/zinc/63/52/93/1022635293.db2.gz UXUNAFNCLIUCNE-UHFFFAOYSA-N 0 3 304.393 3.860 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CC)c(F)c2)CC1 ZINC000159085840 1022688041 /nfs/dbraw/zinc/68/80/41/1022688041.db2.gz HISHYPWKRJSRMP-UHFFFAOYSA-N 0 3 319.424 3.550 20 30 DHEDHN COc1ccc(N2CCN(CCCCC(C)(C)C#N)CC2)cc1 ZINC000278145139 1022690122 /nfs/dbraw/zinc/69/01/22/1022690122.db2.gz NWMRGGWVGQCLAF-UHFFFAOYSA-N 0 3 315.461 3.537 20 30 DHEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cn2)C12CCCCC2 ZINC000584756940 1022709403 /nfs/dbraw/zinc/70/94/03/1022709403.db2.gz DVKYPZNFWCIXKS-QZTJIDSGSA-N 0 3 313.445 3.513 20 30 DHEDHN CN(C)[C@@H](CNc1snc(Cl)c1C#N)c1cccc(F)c1 ZINC000068659176 1022717248 /nfs/dbraw/zinc/71/72/48/1022717248.db2.gz PPGKEPOFVHNVTJ-LBPRGKRZSA-N 0 3 324.812 3.522 20 30 DHEDHN Cc1cc(C)c2c(c1)CN(Cc1ccc(OCC#N)cc1)CC2 ZINC000776857661 1022734495 /nfs/dbraw/zinc/73/44/95/1022734495.db2.gz UQIGUCJOZRIFSG-UHFFFAOYSA-N 0 3 306.409 3.764 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cncc(C)c2)c1 ZINC000768233360 1022931292 /nfs/dbraw/zinc/93/12/92/1022931292.db2.gz WSWXGSYEAYNZLW-YJBOKZPZSA-N 0 3 309.413 3.922 20 30 DHEDHN Cc1ccc(F)c(CN[C@H](C)Cc2ccc(C#N)cc2)c1F ZINC001172289265 1033095286 /nfs/dbraw/zinc/09/52/86/1033095286.db2.gz AYSCBODIEKDYNM-CYBMUJFWSA-N 0 3 300.352 3.866 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)Cc1ccc(OCC)cc1O ZINC000769105697 1023083947 /nfs/dbraw/zinc/08/39/47/1023083947.db2.gz OIFVFISCUGUGRZ-UHFFFAOYSA-N 0 3 322.408 3.851 20 30 DHEDHN C#CCN(CC)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000769106744 1023085579 /nfs/dbraw/zinc/08/55/79/1023085579.db2.gz SKPUXYILPKTUIV-UHFFFAOYSA-N 0 3 308.425 3.733 20 30 DHEDHN Cc1cccc(C2=CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000092821907 1023115187 /nfs/dbraw/zinc/11/51/87/1023115187.db2.gz SARPWZJXOCVHAO-OAQYLSRUSA-N 0 3 318.420 3.689 20 30 DHEDHN Cc1cccc2c1CCN(Cc1ccc(O[C@@H](C)C#N)cc1)C2 ZINC000769337510 1023129300 /nfs/dbraw/zinc/12/93/00/1023129300.db2.gz FLSBFGPSXCMRGU-INIZCTEOSA-N 0 3 306.409 3.844 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1 ZINC000876628609 1033108845 /nfs/dbraw/zinc/10/88/45/1033108845.db2.gz KUOSKLBPBJPEFJ-IXDOHACOSA-N 0 3 320.864 3.641 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000876698311 1033125075 /nfs/dbraw/zinc/12/50/75/1033125075.db2.gz OFFPIDHTWAQCBX-HOTGVXAUSA-N 0 3 324.827 3.643 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000876701033 1033126421 /nfs/dbraw/zinc/12/64/21/1033126421.db2.gz LWDRHJDCVAHCTL-GFCCVEGCSA-N 0 3 320.742 3.590 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\C2CCC(O)(CC)CC2)c([O-])c1 ZINC000771518665 1023447875 /nfs/dbraw/zinc/44/78/75/1023447875.db2.gz AJLYAJXFQFFACL-ZHZULCJRSA-N 0 3 318.461 3.741 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000785617636 1023599464 /nfs/dbraw/zinc/59/94/64/1023599464.db2.gz QZTXMWDEKAOZHA-JLTOFOAXSA-N 0 3 317.392 3.626 20 30 DHEDHN CN(C)c1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1F ZINC000785617579 1023599680 /nfs/dbraw/zinc/59/96/80/1023599680.db2.gz OCXMINHXJYWNTP-SFHVURJKSA-N 0 3 309.388 3.540 20 30 DHEDHN C=CCC[C@@H](N[C@H]1CCCc2c1ccc(=O)n2C)c1ccco1 ZINC000652334392 1023792380 /nfs/dbraw/zinc/79/23/80/1023792380.db2.gz KFPWYHQPMJNYAG-JKSUJKDBSA-N 0 3 312.413 3.653 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(SC)CCC2)c([O-])c1 ZINC000788319962 1023873448 /nfs/dbraw/zinc/87/34/48/1023873448.db2.gz ZIQVRKUEEZXVBZ-LDADJPATSA-N 0 3 306.475 3.943 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000662084637 1023890556 /nfs/dbraw/zinc/89/05/56/1023890556.db2.gz UCDACBAFFIJOKP-JKIFEVAISA-N 0 3 316.832 3.628 20 30 DHEDHN CC(C)N(Cc1ccccc1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268667036 1024141541 /nfs/dbraw/zinc/14/15/41/1024141541.db2.gz JMCSQDPGJUTCRX-LJQANCHMSA-N 0 3 312.388 3.641 20 30 DHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC000268987651 1024211567 /nfs/dbraw/zinc/21/15/67/1024211567.db2.gz QKPZSMBTMPQOEN-FBJOKTGGSA-N 0 3 312.438 3.707 20 30 DHEDHN C=CCC[C@@H](NCc1nccs1)[C@@H]1Cc2ccccc2O1 ZINC000883174147 1024269473 /nfs/dbraw/zinc/26/94/73/1024269473.db2.gz CQVREEWFWMHSNH-ZBFHGGJFSA-N 0 3 300.427 3.571 20 30 DHEDHN C=CCCC[C@H](NC[C@H]1CCCCS1(=O)=O)c1ccccc1 ZINC000883216337 1024295192 /nfs/dbraw/zinc/29/51/92/1024295192.db2.gz OLYJBGZDCDCVMY-MSOLQXFVSA-N 0 3 321.486 3.641 20 30 DHEDHN C=CCC[C@H](NCc1cnc(CC)o1)[C@H]1Cc2ccccc2O1 ZINC000883227077 1024301716 /nfs/dbraw/zinc/30/17/16/1024301716.db2.gz KYGFYWWKNRUXJN-FUHWJXTLSA-N 0 3 312.413 3.665 20 30 DHEDHN C=CCC[C@@H](NCc1cnc(CC)o1)[C@H]1Cc2ccccc2O1 ZINC000883227078 1024302501 /nfs/dbraw/zinc/30/25/01/1024302501.db2.gz KYGFYWWKNRUXJN-SJLPKXTDSA-N 0 3 312.413 3.665 20 30 DHEDHN C=CCC[C@@H](NCc1noc2ccc(F)cc21)[C@H]1CCCO1 ZINC000883241761 1024314247 /nfs/dbraw/zinc/31/42/47/1024314247.db2.gz KDFJLRZGHQPABL-RHSMWYFYSA-N 0 3 304.365 3.570 20 30 DHEDHN C=CCc1cc(OC)cc(CN(CC)CCC(F)(F)F)c1O ZINC000754730610 1024358116 /nfs/dbraw/zinc/35/81/16/1024358116.db2.gz UBRNUAAMFIRLFP-UHFFFAOYSA-N 0 3 317.351 3.904 20 30 DHEDHN N#C[C@H]1CC[C@@H](NC2(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000453256473 1024430016 /nfs/dbraw/zinc/43/00/16/1024430016.db2.gz JPKQIMVDCICVEI-WCQYABFASA-N 0 3 310.319 3.856 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC000131923293 1024443173 /nfs/dbraw/zinc/44/31/73/1024443173.db2.gz NUAIHXNEOWZVCL-CQSZACIVSA-N 0 3 309.413 3.966 20 30 DHEDHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNCc1cc(C#N)cnc1Cl ZINC000877038110 1033215275 /nfs/dbraw/zinc/21/52/75/1033215275.db2.gz HROSNBKMTZEMSY-UKRRQHHQSA-N 0 3 321.852 3.538 20 30 DHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)cc1 ZINC000453621058 1024554974 /nfs/dbraw/zinc/55/49/74/1024554974.db2.gz SUVGYTGRSNKDRF-FQEVSTJZSA-N 0 3 320.436 3.942 20 30 DHEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000532125028 1024560197 /nfs/dbraw/zinc/56/01/97/1024560197.db2.gz RDCRAEOAKZMZPS-QGZVFWFLSA-N 0 3 314.429 3.502 20 30 DHEDHN C[C@H](CCCC#N)N1CCCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001172496808 1033224899 /nfs/dbraw/zinc/22/48/99/1033224899.db2.gz RJVIJZXDFDRSLF-OAHLLOKOSA-N 0 3 321.465 3.544 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N2CCOCC23CCC3)CC1 ZINC001170388875 1024760602 /nfs/dbraw/zinc/76/06/02/1024760602.db2.gz IHWMBARGURWGJO-UHFFFAOYSA-N 0 3 310.441 3.645 20 30 DHEDHN N#CC1(CNC(=N)Nc2cccc(Oc3ccccc3)c2)CCC1 ZINC000263135996 1024789087 /nfs/dbraw/zinc/78/90/87/1024789087.db2.gz NRHFYGDIAFIAAG-UHFFFAOYSA-N 0 3 320.396 3.899 20 30 DHEDHN COCc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000350630315 1024834944 /nfs/dbraw/zinc/83/49/44/1024834944.db2.gz ZHPPTLCJQMBXDZ-UHFFFAOYSA-N 0 3 312.413 3.956 20 30 DHEDHN CCCCCCCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001275111247 1024917455 /nfs/dbraw/zinc/91/74/55/1024917455.db2.gz JNQZFNHKFWSTID-IBGZPJMESA-N 0 3 319.493 3.718 20 30 DHEDHN C#CCCOc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000793232008 1024945413 /nfs/dbraw/zinc/94/54/13/1024945413.db2.gz UJPNEDQCAGLYSE-BBRMVZONSA-N 0 3 311.347 3.861 20 30 DHEDHN C[C@@H]1C[C@@H](C)CC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000119222124 1024953721 /nfs/dbraw/zinc/95/37/21/1024953721.db2.gz YNNPBOKGUUXWOT-ZENOOKHLSA-N 0 3 310.401 3.523 20 30 DHEDHN Cc1nccn1CCCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000163197399 1024984339 /nfs/dbraw/zinc/98/43/39/1024984339.db2.gz FEYVNZXZBCGLAI-VQTJNVASSA-N 0 3 322.456 3.744 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353413758 1025056281 /nfs/dbraw/zinc/05/62/81/1025056281.db2.gz QERZZMQUGPGGRO-RBZFPXEDSA-N 0 3 319.408 3.855 20 30 DHEDHN CCC(CC)[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877166891 1033263539 /nfs/dbraw/zinc/26/35/39/1033263539.db2.gz HJRZWZSTHIANMV-HOTGVXAUSA-N 0 3 321.852 3.680 20 30 DHEDHN C=CCCCCCN1CCCC[C@]12CC(=O)N([C@H](C)CC)C2 ZINC001275323444 1025422032 /nfs/dbraw/zinc/42/20/32/1025422032.db2.gz BJAAFKMMZUUSFX-IEBWSBKVSA-N 0 3 306.494 3.988 20 30 DHEDHN C=CCCCCCN1CCCC[C@@]12CC(=O)N(CC(C)C)C2 ZINC001275328689 1025438139 /nfs/dbraw/zinc/43/81/39/1025438139.db2.gz ATPULZYOXLPTTC-IBGZPJMESA-N 0 3 306.494 3.846 20 30 DHEDHN N#CC(C(=O)CCn1ccc2cc(Cl)ccc21)c1ccccn1 ZINC000136537692 1025470365 /nfs/dbraw/zinc/47/03/65/1025470365.db2.gz UWEQHWXXOHYUGC-HNNXBMFYSA-N 0 3 323.783 3.956 20 30 DHEDHN CCC[C@@H](C)N(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051686664 1025491965 /nfs/dbraw/zinc/49/19/65/1025491965.db2.gz OXXPILJVOJEFJK-MRXNPFEDSA-N 0 3 315.461 3.671 20 30 DHEDHN Cc1nn(-c2ccccc2C)c(C)c1CNCC1(CC#N)CC1 ZINC000886102419 1025505194 /nfs/dbraw/zinc/50/51/94/1025505194.db2.gz GXNBPTIXFDMPIE-UHFFFAOYSA-N 0 3 308.429 3.581 20 30 DHEDHN CCC[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886111385 1025511771 /nfs/dbraw/zinc/51/17/71/1025511771.db2.gz AIXFHXYGPHZUPP-WMLDXEAASA-N 0 3 322.399 3.840 20 30 DHEDHN N#CC1(C[C@@H](O)CNC2(c3ccccc3Cl)CCC2)CCC1 ZINC000886266950 1025575095 /nfs/dbraw/zinc/57/50/95/1025575095.db2.gz BWDYDEKRZQUFMK-CQSZACIVSA-N 0 3 318.848 3.754 20 30 DHEDHN C=CCOc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1 ZINC000024808543 1025600696 /nfs/dbraw/zinc/60/06/96/1025600696.db2.gz LIHRXSHFSXICNS-UHFFFAOYSA-N 0 3 310.397 3.565 20 30 DHEDHN C#CC[C@H]1CCN([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000886356193 1025602289 /nfs/dbraw/zinc/60/22/89/1025602289.db2.gz VRSRGAVJCDYNEH-KGLIPLIRSA-N 0 3 313.376 3.590 20 30 DHEDHN Cc1csc(C(C#N)C(=O)CSc2cccc(C)c2)n1 ZINC000067008738 1025636787 /nfs/dbraw/zinc/63/67/87/1025636787.db2.gz QNHTUJFFIGZHQA-ZDUSSCGKSA-N 0 3 302.424 3.729 20 30 DHEDHN C#CCN(C(=O)c1cccc(C2CCCC2)c1)C1CCN(C)CC1 ZINC000886573258 1025713700 /nfs/dbraw/zinc/71/37/00/1025713700.db2.gz CEAXNZAFRNDCQW-UHFFFAOYSA-N 0 3 324.468 3.514 20 30 DHEDHN CCN(CC(=O)N(CCC#N)c1cccc(C)c1C)CC(C)C ZINC000051740836 1025781095 /nfs/dbraw/zinc/78/10/95/1025781095.db2.gz GVMXLRYGRRCECI-UHFFFAOYSA-N 0 3 315.461 3.528 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cccc(SCC)c2)CC1 ZINC000073991423 1025802328 /nfs/dbraw/zinc/80/23/28/1025802328.db2.gz UEYWVBCGUYWXJQ-UHFFFAOYSA-N 0 3 319.474 3.571 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2nc(Cl)ccc21 ZINC000806164136 1025823702 /nfs/dbraw/zinc/82/37/02/1025823702.db2.gz ZLBXADIPQCXMPY-CVEARBPZSA-N 0 3 309.800 3.871 20 30 DHEDHN C[C@@H]1CCC[C@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075637841 1025849313 /nfs/dbraw/zinc/84/93/13/1025849313.db2.gz UWWALPDFYJAKLC-CJNGLKHVSA-N 0 3 310.401 3.619 20 30 DHEDHN CC1(C)CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075768042 1025852949 /nfs/dbraw/zinc/85/29/49/1025852949.db2.gz ZFDWPWBUMRLKQQ-UHFFFAOYSA-N 0 3 310.401 3.620 20 30 DHEDHN C=CCCC[C@H](NCc1nc(CSC)n[nH]1)c1ccccc1 ZINC000886759609 1025880117 /nfs/dbraw/zinc/88/01/17/1025880117.db2.gz KPGXOHLVEWESIE-HNNXBMFYSA-N 0 3 316.474 3.855 20 30 DHEDHN C=CCC1(O)CCN(Cc2cc(C(C)C)ccc2OC)CC1 ZINC000886778891 1025898445 /nfs/dbraw/zinc/89/84/45/1025898445.db2.gz ZNANSQFUFCJTLG-UHFFFAOYSA-N 0 3 303.446 3.722 20 30 DHEDHN C=CCC1(O)CCN(Cc2ccc(C(C)C)nc2CC)CC1 ZINC000886778901 1025898585 /nfs/dbraw/zinc/89/85/85/1025898585.db2.gz ZVFZCPIZZSFURS-UHFFFAOYSA-N 0 3 302.462 3.670 20 30 DHEDHN C=C(C)CCN[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000419232170 1025901957 /nfs/dbraw/zinc/90/19/57/1025901957.db2.gz DSSQEMITBCRXKD-IBGZPJMESA-N 0 3 324.424 3.931 20 30 DHEDHN C=C(C)CCN[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000419241171 1025981056 /nfs/dbraw/zinc/98/10/56/1025981056.db2.gz PYWHKACONPKMFO-IBGZPJMESA-N 0 3 324.424 3.931 20 30 DHEDHN C[C@H](CCC#N)N(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000411617252 1026080987 /nfs/dbraw/zinc/08/09/87/1026080987.db2.gz LBOCYUGRXCQQOV-GFCCVEGCSA-N 0 3 300.324 3.708 20 30 DHEDHN C=CCCOCCN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000090883620 1026086750 /nfs/dbraw/zinc/08/67/50/1026086750.db2.gz RVICIPHLMDSYMB-CQSZACIVSA-N 0 3 317.408 3.563 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCC)C(C)(C)C)CC1 ZINC000454458026 1026099672 /nfs/dbraw/zinc/09/96/72/1026099672.db2.gz FEAYKJDHLBZOBM-MRXNPFEDSA-N 0 3 309.498 3.541 20 30 DHEDHN CN(CC(=O)Nc1sccc1C#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419330633 1026172579 /nfs/dbraw/zinc/17/25/79/1026172579.db2.gz IBYXDMAPOLVHKU-KGLIPLIRSA-N 0 3 319.474 3.705 20 30 DHEDHN CCN(Cc1ccc(Cl)cc1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000289813884 1026185227 /nfs/dbraw/zinc/18/52/27/1026185227.db2.gz NSADVTGLHFELGU-MRXNPFEDSA-N 0 3 306.837 3.991 20 30 DHEDHN N#CCOc1ccc(Cl)cc1CN1CCC[C@@H](C2CC2)C1 ZINC000808777984 1026392669 /nfs/dbraw/zinc/39/26/69/1026392669.db2.gz IUUBXXBETSOJOX-CQSZACIVSA-N 0 3 304.821 3.864 20 30 DHEDHN Cc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C)C(C)C)cc1C ZINC000747530448 1026411686 /nfs/dbraw/zinc/41/16/86/1026411686.db2.gz LMICWTDCOWWFEV-KRWDZBQOSA-N 0 3 315.461 3.526 20 30 DHEDHN Cc1cc(CN2CCCN(c3ccccc3F)CC2)ccc1C#N ZINC000513406764 1026498251 /nfs/dbraw/zinc/49/82/51/1026498251.db2.gz XHEFDLKBSFZSJF-UHFFFAOYSA-N 0 3 323.415 3.718 20 30 DHEDHN C#Cc1ccc(CN[C@@H](CC)c2ccc3c(c2)OCCO3)cc1 ZINC000809608022 1026564026 /nfs/dbraw/zinc/56/40/26/1026564026.db2.gz GPMYAYNAHCGNEC-SFHVURJKSA-N 0 3 307.393 3.680 20 30 DHEDHN C#C[C@@H](CC)NCc1ccc(OC)c(OCc2ccccc2)c1 ZINC000809685784 1026592870 /nfs/dbraw/zinc/59/28/70/1026592870.db2.gz QODNHDGJZSCFPJ-SFHVURJKSA-N 0 3 309.409 3.776 20 30 DHEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000809686819 1026593739 /nfs/dbraw/zinc/59/37/39/1026593739.db2.gz LRVRCYFQRIYUJN-AWEZNQCLSA-N 0 3 307.319 3.597 20 30 DHEDHN N#Cc1ccc(OCCN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420937799 1026882957 /nfs/dbraw/zinc/88/29/57/1026882957.db2.gz ACUAUBCHRAJFOI-AWEZNQCLSA-N 0 3 312.335 3.601 20 30 DHEDHN Cc1cc(CNCc2cccc(OCCCC#N)c2)cc(C)n1 ZINC000421388002 1026977079 /nfs/dbraw/zinc/97/70/79/1026977079.db2.gz SRMABWVJZCCZIL-UHFFFAOYSA-N 0 3 309.413 3.671 20 30 DHEDHN CCCN1CCc2c(N)sc(NC3=CC[C@H](C#N)CC3)c2C1 ZINC001212859463 1027143757 /nfs/dbraw/zinc/14/37/57/1027143757.db2.gz JVGVPMSWCLVLSS-LBPRGKRZSA-N 0 3 316.474 3.718 20 30 DHEDHN N#CC1(CCN2CC[C@H](c3nc(C4CC4)no3)C2)CCCCC1 ZINC000572003649 1027163992 /nfs/dbraw/zinc/16/39/92/1027163992.db2.gz MEPFCWSLTKMWOB-HNNXBMFYSA-N 0 3 314.433 3.600 20 30 DHEDHN COc1ccccc1[C@@H]1CCCN(Cc2cncc(C#N)c2)CC1 ZINC000931562229 1027171224 /nfs/dbraw/zinc/17/12/24/1027171224.db2.gz AUSRFTLDWYEXMF-GOSISDBHSA-N 0 3 321.424 3.732 20 30 DHEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1cccc(C2CC2)c1 ZINC000572351926 1027194608 /nfs/dbraw/zinc/19/46/08/1027194608.db2.gz XNJAOIWBJHUSPW-CQSZACIVSA-N 0 3 316.408 3.934 20 30 DHEDHN C=CCc1cc(C)cnc1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001170679195 1027313764 /nfs/dbraw/zinc/31/37/64/1027313764.db2.gz AUKLGTJHDABSHO-HNNXBMFYSA-N 0 3 318.424 3.991 20 30 DHEDHN Cc1cccc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c1C#N ZINC001170683155 1027356581 /nfs/dbraw/zinc/35/65/81/1027356581.db2.gz WMFMYYBHCURTLJ-AWEZNQCLSA-N 0 3 302.381 3.739 20 30 DHEDHN N#Cc1csc(CN2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000093684243 1027376133 /nfs/dbraw/zinc/37/61/33/1027376133.db2.gz WLUCJBSEJBWHEF-MRXNPFEDSA-N 0 3 312.438 3.658 20 30 DHEDHN C=CC[C@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000664334132 1027383496 /nfs/dbraw/zinc/38/34/96/1027383496.db2.gz VPZLCRKKLMWJCW-HNNXBMFYSA-N 0 3 301.434 3.568 20 30 DHEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@H](C#N)CCC#N ZINC000574444922 1027396725 /nfs/dbraw/zinc/39/67/25/1027396725.db2.gz HWQKOSWQDMTXRS-OCCSQVGLSA-N 0 3 309.335 3.670 20 30 DHEDHN C#C[C@@H](N[C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(F)cc1 ZINC000812792980 1027422116 /nfs/dbraw/zinc/42/21/16/1027422116.db2.gz KRXAYPLBAKTGHZ-MAUKXSAKSA-N 0 3 304.368 3.738 20 30 DHEDHN C#C[C@@H](N[C@H](C)CCc1n[nH]c2ccccc12)c1ccc(F)cc1 ZINC000812795263 1027422661 /nfs/dbraw/zinc/42/26/61/1027422661.db2.gz PEGDOCDMBQSPCQ-RDTXWAMCSA-N 0 3 321.399 3.987 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1OC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812847422 1027442225 /nfs/dbraw/zinc/44/22/25/1027442225.db2.gz DBBWHUUMZHIVOW-QRWLVFNGSA-N 0 3 324.424 3.511 20 30 DHEDHN CCC#C[C@H](C)N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000812864114 1027458963 /nfs/dbraw/zinc/45/89/63/1027458963.db2.gz YBGBXCHMEGLCAF-JXFKEZNVSA-N 0 3 315.457 3.633 20 30 DHEDHN N#CC(C(=O)C=Cc1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000813215956 1027564168 /nfs/dbraw/zinc/56/41/68/1027564168.db2.gz DBDGTWNNUONNIS-PSKZRQQASA-N 0 3 316.282 3.990 20 30 DHEDHN Cc1nc2ccccn2c1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000158812766 1027644059 /nfs/dbraw/zinc/64/40/59/1027644059.db2.gz LPJLWXSBNMCNNS-UHFFFAOYSA-N 0 3 318.424 3.925 20 30 DHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)CCC1 ZINC000933301815 1027712049 /nfs/dbraw/zinc/71/20/49/1027712049.db2.gz UJQHHQOHEMIPMS-ZDUSSCGKSA-N 0 3 304.821 3.511 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000933486764 1027742593 /nfs/dbraw/zinc/74/25/93/1027742593.db2.gz CIPLVKVSLPVRTF-OAHLLOKOSA-N 0 3 306.409 3.961 20 30 DHEDHN C=CC1CCN(CC(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000600679950 1027784684 /nfs/dbraw/zinc/78/46/84/1027784684.db2.gz LUCIVNFLLNZNFB-MRXNPFEDSA-N 0 3 322.452 3.915 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNC1CCC(O)(CC)CC1 ZINC000778179638 1027793392 /nfs/dbraw/zinc/79/33/92/1027793392.db2.gz XWRSMEQHVXXPPZ-UHFFFAOYSA-N 0 3 321.848 3.525 20 30 DHEDHN COc1cncc(CN[C@H](CCCC#N)c2ccccc2)c1C ZINC000601123611 1027993846 /nfs/dbraw/zinc/99/38/46/1027993846.db2.gz GNRSHUFDIOGEBV-GOSISDBHSA-N 0 3 309.413 3.923 20 30 DHEDHN C=CCC[C@H](O)CN1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934421900 1027997516 /nfs/dbraw/zinc/99/75/16/1027997516.db2.gz KTLIHSAWIZCXPO-HNNXBMFYSA-N 0 3 321.848 3.562 20 30 DHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cnn(CC2CCC2)c1 ZINC000934561727 1028038692 /nfs/dbraw/zinc/03/86/92/1028038692.db2.gz HTTOORHJSUAYGL-HNNXBMFYSA-N 0 3 308.429 3.600 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2ncccc21 ZINC000601280923 1028058883 /nfs/dbraw/zinc/05/88/83/1028058883.db2.gz JOXNGDVUIWWMBQ-UXHICEINSA-N 0 3 303.409 3.998 20 30 DHEDHN COc1cc(CNCc2cccc(OCC(C)C)c2)ccc1C#N ZINC000579043083 1028306945 /nfs/dbraw/zinc/30/69/45/1028306945.db2.gz AWXCHYURNWPMEJ-UHFFFAOYSA-N 0 3 324.424 3.891 20 30 DHEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000368131565 1028307995 /nfs/dbraw/zinc/30/79/95/1028307995.db2.gz ASDGYJWVNRJHNH-SCLBCKFNSA-N 0 3 324.428 3.655 20 30 DHEDHN COc1cccc([C@H]2CN(Cc3ccnc(C#N)c3)CC2(C)C)c1 ZINC000528626930 1028617738 /nfs/dbraw/zinc/61/77/38/1028617738.db2.gz SOSSBGXDIKXXBO-LJQANCHMSA-N 0 3 321.424 3.587 20 30 DHEDHN COc1cc(CN[C@H](C)c2ccc3c(c2)CCC3)ccc1C#N ZINC000566039514 1028669307 /nfs/dbraw/zinc/66/93/07/1028669307.db2.gz UPTFJLXCVWGVSA-CQSZACIVSA-N 0 3 306.409 3.906 20 30 DHEDHN C[C@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)(F)F ZINC000816067894 1028716518 /nfs/dbraw/zinc/71/65/18/1028716518.db2.gz CORYHMAAZRQIMB-RKDXNWHRSA-N 0 3 300.374 3.908 20 30 DHEDHN CCC#C[C@@H](C)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000752853596 1028796800 /nfs/dbraw/zinc/79/68/00/1028796800.db2.gz CUFLXVAHOBVLRS-RDTXWAMCSA-N 0 3 305.849 3.887 20 30 DHEDHN C=CCC[C@H](CO)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000449697424 1028918727 /nfs/dbraw/zinc/91/87/27/1028918727.db2.gz KWDOJURPSZWKSU-GFCCVEGCSA-N 0 3 307.340 3.642 20 30 DHEDHN C[C@@H]1CN(Cc2cccc(OCc3ccccc3C#N)c2)[C@@H]1C ZINC000816647781 1028976759 /nfs/dbraw/zinc/97/67/59/1028976759.db2.gz YAYDEQNEWCLTFL-HZPDHXFCSA-N 0 3 306.409 3.977 20 30 DHEDHN N#Cc1cccc(CN[C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000449764976 1028977259 /nfs/dbraw/zinc/97/72/59/1028977259.db2.gz FRRZYLTXSSOTSQ-KRWDZBQOSA-N 0 3 312.438 3.613 20 30 DHEDHN N#Cc1csc(CN[C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000449768672 1028983697 /nfs/dbraw/zinc/98/36/97/1028983697.db2.gz SSTUIVQREJEPBT-HNNXBMFYSA-N 0 3 318.467 3.675 20 30 DHEDHN CCC(C#N)(CC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000529021210 1029027901 /nfs/dbraw/zinc/02/79/01/1029027901.db2.gz NMMCFZSJUSPBEC-LLVKDONJSA-N 0 3 309.291 3.607 20 30 DHEDHN Cc1cc([C@@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)cs1 ZINC000373569942 1029083733 /nfs/dbraw/zinc/08/37/33/1029083733.db2.gz XDPBUXKRKXIVNT-OAHLLOKOSA-N 0 3 322.437 3.565 20 30 DHEDHN N#CCOc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817280639 1029109238 /nfs/dbraw/zinc/10/92/38/1029109238.db2.gz BUIYCOHUTGCTKN-AWEZNQCLSA-N 0 3 312.335 3.753 20 30 DHEDHN Cn1cc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1C#N ZINC000190691465 1029110002 /nfs/dbraw/zinc/11/00/02/1029110002.db2.gz VDGQCMGTXSUGPY-OAQYLSRUSA-N 0 3 315.420 3.970 20 30 DHEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cc(C)sc1C ZINC001276167424 1029154124 /nfs/dbraw/zinc/15/41/24/1029154124.db2.gz VNMSYVCWEKHHOW-GOSISDBHSA-N 0 3 318.486 3.508 20 30 DHEDHN COc1cc(Br)ccc1[C@H](C)N[C@H](C)CCC#N ZINC000411621324 1029172282 /nfs/dbraw/zinc/17/22/82/1029172282.db2.gz QZCOQIKNZZPCFH-MNOVXSKESA-N 0 3 311.223 3.801 20 30 DHEDHN N#CC1(CCN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CCCCC1 ZINC000411746452 1029196317 /nfs/dbraw/zinc/19/63/17/1029196317.db2.gz OGPWBRZGNKNVOL-SJORKVTESA-N 0 3 302.462 3.884 20 30 DHEDHN CC[C@@H]1C[C@@H](/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])CCO1 ZINC000817708482 1029231561 /nfs/dbraw/zinc/23/15/61/1029231561.db2.gz YTAQWGGMBJPUON-BXPXEBGJSA-N 0 3 304.434 3.615 20 30 DHEDHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CCCC1 ZINC000450278442 1029323593 /nfs/dbraw/zinc/32/35/93/1029323593.db2.gz RTPVMMCNZYNLMM-ROUUACIJSA-N 0 3 312.457 3.685 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCCCC1(F)F ZINC000450316985 1029369211 /nfs/dbraw/zinc/36/92/11/1029369211.db2.gz RVWFPWBXADVMNO-KRWDZBQOSA-N 0 3 322.399 3.832 20 30 DHEDHN C=CC(C)(C)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412376508 1029421206 /nfs/dbraw/zinc/42/12/06/1029421206.db2.gz IGVPTIRTDKXBLU-UHFFFAOYSA-N 0 3 300.446 3.615 20 30 DHEDHN C=C[C@H](CC)CC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001136201193 1029515833 /nfs/dbraw/zinc/51/58/33/1029515833.db2.gz ZMAYVGFCXIJETI-VQIMIIECSA-N 0 3 314.473 3.542 20 30 DHEDHN CN(C)c1ccc(C#N)cc1CN[C@@H]1CCCc2sccc21 ZINC000865531457 1029901188 /nfs/dbraw/zinc/90/11/88/1029901188.db2.gz WZVIVYHZARVLAP-MRXNPFEDSA-N 0 3 311.454 3.853 20 30 DHEDHN CN1CCC[C@H](NCc2ccc(C#N)c(F)c2)c2ccccc21 ZINC000451864058 1030031432 /nfs/dbraw/zinc/03/14/32/1030031432.db2.gz GRCGZAGDDFYOOQ-SFHVURJKSA-N 0 3 309.388 3.758 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000822525637 1030046468 /nfs/dbraw/zinc/04/64/68/1030046468.db2.gz KSGZHDXPGUQKDL-CQSZACIVSA-N 0 3 311.404 3.956 20 30 DHEDHN CC(C)(C)c1csc(CN[C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000865849499 1030058840 /nfs/dbraw/zinc/05/88/40/1030058840.db2.gz ZBSVMQSPHHSWIM-HNNXBMFYSA-N 0 3 311.454 3.569 20 30 DHEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc2occc2c1 ZINC001275549431 1030096295 /nfs/dbraw/zinc/09/62/95/1030096295.db2.gz UILXPFBMIPMDCR-FQEVSTJZSA-N 0 3 324.424 3.576 20 30 DHEDHN Cc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000452080014 1030120760 /nfs/dbraw/zinc/12/07/60/1030120760.db2.gz GTNJIJCXPLLVJQ-CABCVRRESA-N 0 3 307.397 3.545 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000924799263 1030193093 /nfs/dbraw/zinc/19/30/93/1030193093.db2.gz MIJOAYVPTANJIE-CABCVRRESA-N 0 3 313.445 3.792 20 30 DHEDHN Cc1noc(C)c1[C@H](C)NCCSCc1ccccc1C#N ZINC000924812347 1030196083 /nfs/dbraw/zinc/19/60/83/1030196083.db2.gz UROQMYTYHRDSCH-LBPRGKRZSA-N 0 3 315.442 3.747 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H]1Oc2ccccc2[C@H]1C ZINC000533309102 1030266464 /nfs/dbraw/zinc/26/64/64/1030266464.db2.gz BADQSPNDWXPKEJ-QHRIQVFBSA-N 0 3 310.372 3.740 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccccc1)C(C)(C)C ZINC000533489220 1030378012 /nfs/dbraw/zinc/37/80/12/1030378012.db2.gz PAJHAWMTPWXBNX-GOSISDBHSA-N 0 3 302.462 3.788 20 30 DHEDHN C[C@H](CN(CC#Cc1ccccc1)[C@@H](C)CO)c1ccccc1 ZINC000558146767 1030437994 /nfs/dbraw/zinc/43/79/94/1030437994.db2.gz UBUOPTGDITXVEL-MOPGFXCFSA-N 0 3 307.437 3.525 20 30 DHEDHN CC1(C)[C@@H](N)c2ccccc2N1C(=O)CC1(C#N)CCCCC1 ZINC000867987490 1030511023 /nfs/dbraw/zinc/51/10/23/1030511023.db2.gz MBTIWZSEWYOQLT-KRWDZBQOSA-N 0 3 311.429 3.676 20 30 DHEDHN Cc1cccc(Oc2cccc(NC(=O)[C@H](N)CCCC#N)c2)c1 ZINC000868036759 1030521247 /nfs/dbraw/zinc/52/12/47/1030521247.db2.gz INOOLRBYOWKYJK-GOSISDBHSA-N 0 3 323.396 3.747 20 30 DHEDHN O=C1C=C2CN(Cc3cc4c(cccc4Cl)[nH]3)CCC2S1 ZINC001136858690 1030526489 /nfs/dbraw/zinc/52/64/89/1030526489.db2.gz WDAVDFSQOFGBIL-HNNXBMFYSA-N 0 3 318.829 3.595 20 30 DHEDHN C#Cc1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000825311114 1030784241 /nfs/dbraw/zinc/78/42/41/1030784241.db2.gz GSLMIRWIOXXBNB-GOSISDBHSA-N 0 3 311.450 3.723 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000926610369 1030823770 /nfs/dbraw/zinc/82/37/70/1030823770.db2.gz CRLKZRIZAGQEFC-YSIASYRMSA-N 0 3 308.425 3.660 20 30 DHEDHN C#CCN(Cc1cccc(OC)c1O)[C@@H]1CCc2ccccc21 ZINC000179203459 1030858991 /nfs/dbraw/zinc/85/89/91/1030858991.db2.gz AGMAINGNQWJNKE-GOSISDBHSA-N 0 3 307.393 3.524 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC000926688478 1030861100 /nfs/dbraw/zinc/86/11/00/1030861100.db2.gz DIZHVDZALYIAMY-DGCLKSJQSA-N 0 3 306.372 3.794 20 30 DHEDHN N#Cc1cccc(CN[C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000292563899 1031075900 /nfs/dbraw/zinc/07/59/00/1031075900.db2.gz BEBWDMBYOTTWMA-LJQANCHMSA-N 0 3 306.409 3.552 20 30 DHEDHN C[C@H](NC[C@@H]1OCCc2ccccc21)c1ccc(C#N)cc1F ZINC000611587897 1031111595 /nfs/dbraw/zinc/11/15/95/1031111595.db2.gz ZOMKBDZARKLJDX-DJJJIMSYSA-N 0 3 310.372 3.662 20 30 DHEDHN CC[C@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccc(C#N)cc1 ZINC000927139208 1031114086 /nfs/dbraw/zinc/11/40/86/1031114086.db2.gz JQAYDGVZUUSXHM-ZCNNSNEGSA-N 0 3 306.409 3.647 20 30 DHEDHN C=CCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CCC1 ZINC000359849355 1031162802 /nfs/dbraw/zinc/16/28/02/1031162802.db2.gz YZSVLCMIHMLLFV-WMZOPIPTSA-N 0 3 312.457 3.512 20 30 DHEDHN N#Cc1cccc(CN[C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000293478785 1031485009 /nfs/dbraw/zinc/48/50/09/1031485009.db2.gz RBQREDSSTKIRAB-XLIONFOSSA-N 0 3 324.399 3.955 20 30 DHEDHN N#Cc1ccc(CN(CCSc2ccncc2)C2CC2)cc1 ZINC000929368345 1031505253 /nfs/dbraw/zinc/50/52/53/1031505253.db2.gz YXTNZJYXAQBAKK-UHFFFAOYSA-N 0 3 309.438 3.710 20 30 DHEDHN Cc1ccc(F)c(CN[C@@H](C)Cc2cccc(C#N)c2)c1F ZINC001171179864 1031562489 /nfs/dbraw/zinc/56/24/89/1031562489.db2.gz YDFUXFZCBCTOOE-ZDUSSCGKSA-N 0 3 300.352 3.866 20 30 DHEDHN Cc1ccc(F)c(CN[C@H](C)Cc2cccc(C#N)c2)c1F ZINC001171179863 1031562788 /nfs/dbraw/zinc/56/27/88/1031562788.db2.gz YDFUXFZCBCTOOE-CYBMUJFWSA-N 0 3 300.352 3.866 20 30 DHEDHN N#CC(C(=O)[C@H]1CCc2ccccc2C1)c1nc2ccccc2[nH]1 ZINC000845436909 1031583702 /nfs/dbraw/zinc/58/37/02/1031583702.db2.gz ODUBCPYIZZDVID-HOTGVXAUSA-N 0 3 315.376 3.544 20 30 DHEDHN N#CC1(CCCCN2CCN(c3cccs3)CC2)CCC1 ZINC000929823499 1031616875 /nfs/dbraw/zinc/61/68/75/1031616875.db2.gz AHCIINJIRVHXII-UHFFFAOYSA-N 0 3 303.475 3.734 20 30 DHEDHN N#Cc1cncc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000929882457 1031633657 /nfs/dbraw/zinc/63/36/57/1031633657.db2.gz NAFHKXRLDFAJOO-GOSISDBHSA-N 0 3 316.408 3.814 20 30 DHEDHN COc1cccc(F)c1[C@H](C)N[C@H](C)Cc1cccc(C#N)c1 ZINC001171193706 1031653692 /nfs/dbraw/zinc/65/36/92/1031653692.db2.gz YKKILBIRNDCGBH-KGLIPLIRSA-N 0 3 312.388 3.988 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@@H]2c2cccc(C(=O)OC)c2)cc1 ZINC001144581269 1031717856 /nfs/dbraw/zinc/71/78/56/1031717856.db2.gz NZRVGZXMRZUBQV-HXUWFJFHSA-N 0 3 319.404 3.792 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873988 1031748565 /nfs/dbraw/zinc/74/85/65/1031748565.db2.gz FSFSYVIVKMXNPU-YWPYICTPSA-N 0 3 309.337 3.678 20 30 DHEDHN C[C@H]1CCC[C@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000026470150 1031768279 /nfs/dbraw/zinc/76/82/79/1031768279.db2.gz DWUWWTURGVNOJM-WFASDCNBSA-N 0 3 319.836 3.661 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001171203967 1031789993 /nfs/dbraw/zinc/78/99/93/1031789993.db2.gz QXEYAZYYDMVUKK-NILFDRSVSA-N 0 3 314.326 3.569 20 30 DHEDHN C[C@]1(Cc2ccccc2F)CCCN1Cc1cncc(C#N)c1 ZINC000930817884 1031960288 /nfs/dbraw/zinc/96/02/88/1031960288.db2.gz ZWWAQIVZNZCGAI-LJQANCHMSA-N 0 3 309.388 3.690 20 30 DHEDHN N#Cc1cc(Cl)cc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000931026552 1032013061 /nfs/dbraw/zinc/01/30/61/1032013061.db2.gz XLKBQNDJZCPARU-WMZOPIPTSA-N 0 3 318.848 3.993 20 30 DHEDHN Cc1ccccc1[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877497160 1033325565 /nfs/dbraw/zinc/32/55/65/1033325565.db2.gz HUQWUOUVBBKSHZ-KOMQPUFPSA-N 0 3 311.816 3.951 20 30 DHEDHN Cc1ccc([C@@H]2CCCN2Cc2ccc(OCC#N)cc2)cn1 ZINC001137121417 1033329009 /nfs/dbraw/zinc/32/90/09/1033329009.db2.gz KMJFUATVFJXBJB-IBGZPJMESA-N 0 3 307.397 3.630 20 30 DHEDHN N=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccc2ccccc2n1 ZINC001172710290 1033344591 /nfs/dbraw/zinc/34/45/91/1033344591.db2.gz CFYQMYUNDCXTLL-MRXNPFEDSA-N 0 3 321.811 3.761 20 30 DHEDHN COc1ccc2c(c1)CN(Cc1ccc(OCC#N)cc1)CCC2 ZINC001137122479 1033364425 /nfs/dbraw/zinc/36/44/25/1033364425.db2.gz CKGJFUKKTJIVNH-UHFFFAOYSA-N 0 3 322.408 3.546 20 30 DHEDHN N#CC(C(=O)CC1CCC(F)(F)CC1)c1nc2ccccc2[nH]1 ZINC000860450406 1033384130 /nfs/dbraw/zinc/38/41/30/1033384130.db2.gz RVDCCKATVKXCBT-LBPRGKRZSA-N 0 3 317.339 3.955 20 30 DHEDHN CCc1ccc(C[C@@H](C)NC(=N)c2ccc(Cl)cn2)cc1 ZINC001173234646 1033607884 /nfs/dbraw/zinc/60/78/84/1033607884.db2.gz COOZSRZUEYZBNZ-GFCCVEGCSA-N 0 3 301.821 3.634 20 30 DHEDHN CCC[C@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878186196 1033614083 /nfs/dbraw/zinc/61/40/83/1033614083.db2.gz HBBALHGZPCBTSL-ICSRJNTNSA-N 0 3 312.457 3.939 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC2)cc1 ZINC000878334034 1033660536 /nfs/dbraw/zinc/66/05/36/1033660536.db2.gz MEJPRWCFCLKSNE-SLFFLAALSA-N 0 3 308.425 3.605 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](C)C2(CCC2)C1)c1ccccc1 ZINC000878337099 1033662554 /nfs/dbraw/zinc/66/25/54/1033662554.db2.gz BVIGHUXRNOXORC-LAUBAEHRSA-N 0 3 324.468 3.939 20 30 DHEDHN CCCCCCCC[C@H](CCC)N[C@@H]1C=CS(=O)(=O)C1 ZINC001173309236 1033663218 /nfs/dbraw/zinc/66/32/18/1033663218.db2.gz GKYJUSHNPRLRIA-JKSUJKDBSA-N 0 3 301.496 3.806 20 30 DHEDHN CCCCCCCC[C@@H](CCC)N[C@@H]1C=CS(=O)(=O)C1 ZINC001173309235 1033663729 /nfs/dbraw/zinc/66/37/29/1033663729.db2.gz GKYJUSHNPRLRIA-HZPDHXFCSA-N 0 3 301.496 3.806 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccccc3Cl)C2)o1 ZINC000174446756 1033932731 /nfs/dbraw/zinc/93/27/31/1033932731.db2.gz VJUQHYSUGOBPEJ-ZDUSSCGKSA-N 0 3 315.804 3.563 20 30 DHEDHN CN(CCCCCCNC(=O)OC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000879308347 1033978634 /nfs/dbraw/zinc/97/86/34/1033978634.db2.gz AJBMGLFJDWBBSQ-HZPDHXFCSA-N 0 3 323.481 3.696 20 30 DHEDHN Cc1cc(NN=C(CCC(C)(C)C)c2cscn2)ccn1 ZINC000863159151 1034008802 /nfs/dbraw/zinc/00/88/02/1034008802.db2.gz FUBHQFGWXLGVGD-UHFFFAOYSA-N 0 3 302.447 3.911 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)s1)c1ccc2c(c1)OCCO2 ZINC000176953148 1034122888 /nfs/dbraw/zinc/12/28/88/1034122888.db2.gz MSBOAGOCHXQUHC-OAHLLOKOSA-N 0 3 314.410 3.632 20 30 DHEDHN CO[C@@H](CNCc1ccc(C#N)s1)c1cccc(Cl)c1 ZINC000176978928 1034124936 /nfs/dbraw/zinc/12/49/36/1034124936.db2.gz IXXSKUOMXQPDSQ-HNNXBMFYSA-N 0 3 306.818 3.750 20 30 DHEDHN CC(C)Oc1cccc(CN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000842154013 1034176531 /nfs/dbraw/zinc/17/65/31/1034176531.db2.gz QMVLAEOUPCLYGI-FQEVSTJZSA-N 0 3 324.424 3.511 20 30 DHEDHN N#CC(C(=O)CCCc1ccc(F)c(F)c1)c1ccccn1 ZINC000119955242 1034307771 /nfs/dbraw/zinc/30/77/71/1034307771.db2.gz NBIRJZZJSMNPKC-ZDUSSCGKSA-N 0 3 300.308 3.559 20 30 DHEDHN N#Cc1ccc(NC2=CCCN(Cc3ccccc3)C2)cc1C#N ZINC001174395139 1034317217 /nfs/dbraw/zinc/31/72/17/1034317217.db2.gz RYUMPGJNRDNRQZ-UHFFFAOYSA-N 0 3 314.392 3.632 20 30 DHEDHN C=CCCC[C@H](NCC(=O)Nc1cc(C)no1)c1ccccc1 ZINC000880387459 1034320862 /nfs/dbraw/zinc/32/08/62/1034320862.db2.gz ABRPTFUONFTDIZ-INIZCTEOSA-N 0 3 313.401 3.609 20 30 DHEDHN C=CCCC[C@@H](NCc1cc(=O)c(OC)co1)c1ccccc1 ZINC000880388206 1034321280 /nfs/dbraw/zinc/32/12/80/1034321280.db2.gz JYWUEINDEGHQED-QGZVFWFLSA-N 0 3 313.397 3.836 20 30 DHEDHN Cc1csc(CN2CCC[C@@H](Oc3ccccc3C#N)C2)c1 ZINC001137158523 1034402381 /nfs/dbraw/zinc/40/23/81/1034402381.db2.gz WMSZQGJYQVEAEX-MRXNPFEDSA-N 0 3 312.438 3.972 20 30 DHEDHN CCc1cc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)oc1CC ZINC000128723374 1034500324 /nfs/dbraw/zinc/50/03/24/1034500324.db2.gz QVOORSZVWVLDNU-HNNXBMFYSA-N 0 3 324.380 3.674 20 30 DHEDHN C=CCCC[C@@H](C)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000481422671 1034822270 /nfs/dbraw/zinc/82/22/70/1034822270.db2.gz UCMAOUYYWOSVFP-KDOFPFPSSA-N 0 3 301.409 3.983 20 30 DHEDHN CCC#C[C@@H](C)N1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001175267742 1034913731 /nfs/dbraw/zinc/91/37/31/1034913731.db2.gz KDZGFYCYAYRVSV-CVEARBPZSA-N 0 3 308.466 3.558 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC#Cc1ccccc1Cl ZINC000481748825 1034964199 /nfs/dbraw/zinc/96/41/99/1034964199.db2.gz JYJGMQBTWVNYSM-MSOLQXFVSA-N 0 3 305.849 3.875 20 30 DHEDHN N#Cc1cc(F)ccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175507453 1035018681 /nfs/dbraw/zinc/01/86/81/1035018681.db2.gz VNZLVEFIRZFCIT-UHFFFAOYSA-N 0 3 307.372 3.899 20 30 DHEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)c(F)c3)cc2)CC1 ZINC001175780993 1035119707 /nfs/dbraw/zinc/11/97/07/1035119707.db2.gz QMNOOLWRPJLOEU-UHFFFAOYSA-N 0 3 324.403 3.583 20 30 DHEDHN C[C@]1(c2ccc(F)cc2)CCN(Cc2ccc(C#N)s2)C1 ZINC000482560015 1035135635 /nfs/dbraw/zinc/13/56/35/1035135635.db2.gz SPHLQUZCEIGEHZ-KRWDZBQOSA-N 0 3 300.402 3.922 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(F)c(F)c2)n1 ZINC000160119491 1035137985 /nfs/dbraw/zinc/13/79/85/1035137985.db2.gz WVIWQRFQSJEMMQ-SNVBAGLBSA-N 0 3 321.352 3.791 20 30 DHEDHN N#Cc1cc(NC(=O)[C@H]2CCCN2C2CCCC2)ccc1C1CC1 ZINC001176011268 1035184108 /nfs/dbraw/zinc/18/41/08/1035184108.db2.gz UDRUQKBUHUXSOL-LJQANCHMSA-N 0 3 323.440 3.781 20 30 DHEDHN C#CCCN1CCC[C@]1(C)Cc1cccc(Br)c1 ZINC001176253392 1035237083 /nfs/dbraw/zinc/23/70/83/1035237083.db2.gz PQXZLGZGNOAZMA-MRXNPFEDSA-N 0 3 306.247 3.869 20 30 DHEDHN C#CCC1(NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1 ZINC001176381531 1035252761 /nfs/dbraw/zinc/25/27/61/1035252761.db2.gz OQBWFTOQHZGKFQ-UHFFFAOYSA-N 0 3 312.291 3.649 20 30 DHEDHN CC(C)[C@@H](NCC#Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000484073657 1035317014 /nfs/dbraw/zinc/31/70/14/1035317014.db2.gz JEFCUYKHRPZBSJ-OAQYLSRUSA-N 0 3 321.420 3.796 20 30 DHEDHN Cc1sccc1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000350476355 1035455045 /nfs/dbraw/zinc/45/50/45/1035455045.db2.gz JWCIJRDWLLHIEC-UHFFFAOYSA-N 0 3 312.438 3.972 20 30 DHEDHN Cc1ccc(Br)c(F)c1CNCC(C)(C)CC#N ZINC001178921978 1035455805 /nfs/dbraw/zinc/45/58/05/1035455805.db2.gz LOHVMWKJVOJEDR-UHFFFAOYSA-N 0 3 313.214 3.926 20 30 DHEDHN C=CCNCc1cc(-c2ccc([C@@H]3CCC(=O)N3)cc2)ccc1F ZINC000904834243 1035461403 /nfs/dbraw/zinc/46/14/03/1035461403.db2.gz XCYPRWIRKKJTRO-IBGZPJMESA-N 0 3 324.399 3.719 20 30 DHEDHN C=C(C)C[C@@H](CO)NCc1cc(Br)ccc1Cl ZINC001179437752 1035477181 /nfs/dbraw/zinc/47/71/81/1035477181.db2.gz LVGMJDWTUOBXQO-LBPRGKRZSA-N 0 3 318.642 3.519 20 30 DHEDHN COc1ccc(CNCc2cc3ccc(C)cc3[nH]2)cc1C#N ZINC001179447656 1035478011 /nfs/dbraw/zinc/47/80/11/1035478011.db2.gz NNMRWDRWWFTEFC-UHFFFAOYSA-N 0 3 305.381 3.646 20 30 DHEDHN C#C[C@H](N[C@@H](C)c1cccc(-c2ccncc2)c1)[C@H]1CCCO1 ZINC000775572887 1035571994 /nfs/dbraw/zinc/57/19/94/1035571994.db2.gz UQYAGVQTMIWPTH-RYGJVYDSSA-N 0 3 306.409 3.580 20 30 DHEDHN COc1ccc([C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)cc1 ZINC000191976798 1035744303 /nfs/dbraw/zinc/74/43/03/1035744303.db2.gz CZPQYWPEXVJJLB-KRWDZBQOSA-N 0 3 310.372 3.695 20 30 DHEDHN C=CCN(C)C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000494637732 1035755035 /nfs/dbraw/zinc/75/50/35/1035755035.db2.gz MWUTUCGLMZYANF-CQSZACIVSA-N 0 3 311.853 3.629 20 30 DHEDHN CCCCCCCOC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC001194012235 1035798702 /nfs/dbraw/zinc/79/87/02/1035798702.db2.gz HBXYBSWJFVURGE-QGZVFWFLSA-N 0 3 306.450 3.986 20 30 DHEDHN CCC#C[C@H](C)N[C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000670092002 1035893437 /nfs/dbraw/zinc/89/34/37/1035893437.db2.gz BJQHYBYNMOHLQT-IWEFOYFVSA-N 0 3 324.390 3.631 20 30 DHEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(OC)CCCCCC1 ZINC001181687000 1035954517 /nfs/dbraw/zinc/95/45/17/1035954517.db2.gz MAGUBLYJNNXKHW-UHFFFAOYSA-N 0 3 321.461 3.889 20 30 DHEDHN C[C@H]1CN(CCCOc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC001194763232 1036027777 /nfs/dbraw/zinc/02/77/77/1036027777.db2.gz CJRQCHNHULXYPE-INIZCTEOSA-N 0 3 322.408 3.610 20 30 DHEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)Cc2ccccc2O1 ZINC001194764887 1036028254 /nfs/dbraw/zinc/02/82/54/1036028254.db2.gz PONLRQUSIZWZAN-MRXNPFEDSA-N 0 3 322.408 3.610 20 30 DHEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC000906909020 1036095885 /nfs/dbraw/zinc/09/58/85/1036095885.db2.gz GPZVBFTZYKQHQN-UHFFFAOYSA-N 0 3 321.424 3.797 20 30 DHEDHN COc1ccc(C)cc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000914582503 1036139460 /nfs/dbraw/zinc/13/94/60/1036139460.db2.gz RWUVZDMLGGDEME-UHFFFAOYSA-N 0 3 323.440 3.643 20 30 DHEDHN N#CCc1ccc(CN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000347427640 1036267071 /nfs/dbraw/zinc/26/70/71/1036267071.db2.gz KBDYMONKBHKULM-GOSISDBHSA-N 0 3 314.816 3.619 20 30 DHEDHN C=CCN(Cc1ccc(CC#N)cc1)Cc1ccc(OC)cc1 ZINC000541280435 1036279782 /nfs/dbraw/zinc/27/97/82/1036279782.db2.gz AMAMKZSOZJTKGD-UHFFFAOYSA-N 0 3 306.409 3.949 20 30 DHEDHN C=CCN(C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccco1 ZINC000495182109 1036321066 /nfs/dbraw/zinc/32/10/66/1036321066.db2.gz GONBWUJYRGVHDQ-VMPITWQZSA-N 0 3 312.369 3.932 20 30 DHEDHN CC[C@@H]1CC[C@@H](C)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000595785559 1036421300 /nfs/dbraw/zinc/42/13/00/1036421300.db2.gz XRZLJSRGHGERTO-ZIAGYGMSSA-N 0 3 310.401 3.619 20 30 DHEDHN N#CCC1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000541920872 1036459331 /nfs/dbraw/zinc/45/93/31/1036459331.db2.gz QKRMUSGACKRJGA-UHFFFAOYSA-N 0 3 314.820 3.856 20 30 DHEDHN N#Cc1cc(F)ccc1N1CCN(CCC2CCCCC2)CC1 ZINC001183378717 1036589901 /nfs/dbraw/zinc/58/99/01/1036589901.db2.gz APCICPUAUATKQE-UHFFFAOYSA-N 0 3 315.436 3.790 20 30 DHEDHN FC(F)(F)c1ccc(C#CCNC/C=C\c2ccncc2)cc1 ZINC000487304759 1036657560 /nfs/dbraw/zinc/65/75/60/1036657560.db2.gz BUZBENBVPGDJCB-RQOWECAXSA-N 0 3 316.326 3.755 20 30 DHEDHN CC(C)(C)SCCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC001197031394 1036674090 /nfs/dbraw/zinc/67/40/90/1036674090.db2.gz JURAZHLSFHYNNJ-UHFFFAOYSA-N 0 3 317.502 3.602 20 30 DHEDHN CCSc1ccccc1C[C@@H](C)NCC1(C#N)CCOCC1 ZINC001184290321 1036805230 /nfs/dbraw/zinc/80/52/30/1036805230.db2.gz KAHFNNBKUOLMBQ-OAHLLOKOSA-N 0 3 318.486 3.640 20 30 DHEDHN C[C@@H](COCC1CCCCC1)NCc1ccc(C#N)c(F)c1 ZINC001198001263 1036923803 /nfs/dbraw/zinc/92/38/03/1036923803.db2.gz PIRXGOUJOGSEBA-AWEZNQCLSA-N 0 3 304.409 3.772 20 30 DHEDHN N#Cc1ccc(Br)c(CN2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000492627717 1036946184 /nfs/dbraw/zinc/94/61/84/1036946184.db2.gz DRICNGAKEPKRKY-OKILXGFUSA-N 0 3 319.246 3.943 20 30 DHEDHN C#C[C@H]1CCCCN1Cc1ccc(OCc2ccccn2)cc1 ZINC001198526406 1037048519 /nfs/dbraw/zinc/04/85/19/1037048519.db2.gz SKHWMKZISGXKBD-IBGZPJMESA-N 0 3 306.409 3.648 20 30 DHEDHN N#CCOc1ccc(CN2Cc3ccccc3C3(CC3)C2)cc1 ZINC000775871647 1037066754 /nfs/dbraw/zinc/06/67/54/1037066754.db2.gz LKYFJAXBLOJFQU-UHFFFAOYSA-N 0 3 304.393 3.636 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000911952498 1037248433 /nfs/dbraw/zinc/24/84/33/1037248433.db2.gz RLZYQYRBJGYVFH-GOSISDBHSA-N 0 3 308.425 3.900 20 30 DHEDHN C=C(C)CN[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494206205 1037668087 /nfs/dbraw/zinc/66/80/87/1037668087.db2.gz VUVTWLSEPUIXOQ-NVXWUHKLSA-N 0 3 324.827 3.695 20 30 DHEDHN C#CCCOc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000775136825 1037689057 /nfs/dbraw/zinc/68/90/57/1037689057.db2.gz MFNFCUSUGLWAGB-HNNXBMFYSA-N 0 3 311.347 3.863 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc2ccccc2c1 ZINC001188628389 1037950834 /nfs/dbraw/zinc/95/08/34/1037950834.db2.gz BTWHCSDSJBDCON-SFHVURJKSA-N 0 3 309.413 3.612 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586789165 1037971622 /nfs/dbraw/zinc/97/16/22/1037971622.db2.gz WJTJQLOUTIERHW-NWDGAFQWSA-N 0 3 307.353 3.817 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc(Cl)cc2)nc(C)n1 ZINC000916880727 1038018407 /nfs/dbraw/zinc/01/84/07/1038018407.db2.gz UZHXKEQWPJYCES-KKTNHOPESA-N 0 3 311.772 3.637 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=CSc2ccccc2)nc(C)n1 ZINC000916880767 1038019928 /nfs/dbraw/zinc/01/99/28/1038019928.db2.gz XRUXQUULIMIWCL-XVJNWHFHSA-N 0 3 309.394 3.576 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc(Cl)cc2)nc(C)n1 ZINC000916880725 1038020936 /nfs/dbraw/zinc/02/09/36/1038020936.db2.gz UZHXKEQWPJYCES-GTBONMDNSA-N 0 3 311.772 3.637 20 30 DHEDHN CCCCN(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917097478 1038193359 /nfs/dbraw/zinc/19/33/59/1038193359.db2.gz VUTMZLPLJNUXLC-CYBMUJFWSA-N 0 3 315.442 3.595 20 30 DHEDHN C#CCN(Cc1cccc(N(C)C)c1)[C@H]1CCc2ccccc21 ZINC001190528339 1038338335 /nfs/dbraw/zinc/33/83/35/1038338335.db2.gz JUISDWKETBKVHF-NRFANRHFSA-N 0 3 304.437 3.875 20 30 DHEDHN C=CCN(CCN(C)c1ccccc1)Cc1cccc(C#N)c1 ZINC001190642269 1038362308 /nfs/dbraw/zinc/36/23/08/1038362308.db2.gz AIHDFRQTPVCQQE-UHFFFAOYSA-N 0 3 305.425 3.683 20 30 DHEDHN CN(Cc1cc(C#N)n(C)c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000589205883 1038449276 /nfs/dbraw/zinc/44/92/76/1038449276.db2.gz UCXIPBBRQYZCEU-RTBURBONSA-N 0 3 323.440 3.575 20 30 DHEDHN COc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1O ZINC000589343262 1038461002 /nfs/dbraw/zinc/46/10/02/1038461002.db2.gz FVYURLJVOMZNED-YVEFUNNKSA-N 0 3 308.381 3.611 20 30 DHEDHN N#CC(C(=O)c1cccc(Cl)n1)c1ccc2ccccc2n1 ZINC000775531223 1038657542 /nfs/dbraw/zinc/65/75/42/1038657542.db2.gz QEARWHPQMVVJKY-GFCCVEGCSA-N 0 3 307.740 3.773 20 30 DHEDHN CC(C)CN(CCc1ccc(F)cc1)Cc1ccncc1C#N ZINC000592068172 1039116416 /nfs/dbraw/zinc/11/64/16/1039116416.db2.gz XKNWQTZAYMLOSH-UHFFFAOYSA-N 0 3 311.404 3.793 20 30 DHEDHN C[C@]1(Cc2ccc(F)cc2)CCCN1Cc1ccncc1C#N ZINC000592124727 1039123895 /nfs/dbraw/zinc/12/38/95/1039123895.db2.gz LHMFGGXDOMDBAV-LJQANCHMSA-N 0 3 309.388 3.690 20 30 DHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)cc1 ZINC000592174877 1039140205 /nfs/dbraw/zinc/14/02/05/1039140205.db2.gz HNALBBLVWBOINF-FQEVSTJZSA-N 0 3 318.420 3.718 20 30 DHEDHN Cc1ccccc1-c1ccccc1CN1CC[C@@](O)(CC#N)C1 ZINC000592525568 1039223801 /nfs/dbraw/zinc/22/38/01/1039223801.db2.gz RJHNOYMVCFUDLT-FQEVSTJZSA-N 0 3 306.409 3.513 20 30 DHEDHN Cc1ccccc1-c1cccc(CN2CC[C@](O)(CC#N)C2)c1 ZINC000592522163 1039223955 /nfs/dbraw/zinc/22/39/55/1039223955.db2.gz IMNGQKZZCNFCIV-HXUWFJFHSA-N 0 3 306.409 3.513 20 30 DHEDHN CC(C)(C#N)CCCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599659433 1039260767 /nfs/dbraw/zinc/26/07/67/1039260767.db2.gz IRXKVHWXRTUAIE-UHFFFAOYSA-N 0 3 324.472 3.615 20 30 DHEDHN C=CCc1cc(CN2CC3(CCC3)[C@@H]2C2CC2)cc(OC)c1O ZINC000574127937 1039412523 /nfs/dbraw/zinc/41/25/23/1039412523.db2.gz VMDRYVCSDNAZEL-IBGZPJMESA-N 0 3 313.441 3.894 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000171563483 1039523055 /nfs/dbraw/zinc/52/30/55/1039523055.db2.gz JBIDOUPDSIHXCA-NSHDSACASA-N 0 3 306.818 3.982 20 30 DHEDHN CC[C@H](Cc1ccc(OC)c(OC)c1)NCC1(C#N)CCCC1 ZINC000593653795 1039580280 /nfs/dbraw/zinc/58/02/80/1039580280.db2.gz YPQUKHKTQRGIPV-MRXNPFEDSA-N 0 3 316.445 3.698 20 30 DHEDHN CCN(CC)c1ncc(CN2CCC(CCC#N)CC2)s1 ZINC000574453049 1039688960 /nfs/dbraw/zinc/68/89/60/1039688960.db2.gz TZWWOMMUBBDFRV-UHFFFAOYSA-N 0 3 306.479 3.505 20 30 DHEDHN CC(C)[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000172020940 1039712353 /nfs/dbraw/zinc/71/23/53/1039712353.db2.gz ZQJFBPYRGSZPFH-XJKSGUPXSA-N 0 3 308.381 3.779 20 30 DHEDHN CCCCN(C(=O)[C@@H](N)CCCCC#N)[C@@H](C)c1ccccc1 ZINC000594447041 1039783745 /nfs/dbraw/zinc/78/37/45/1039783745.db2.gz SBKQRHTYKGUUBW-WMZOPIPTSA-N 0 3 315.461 3.788 20 30 DHEDHN CN(C(=O)[C@@H](N)CCCCC#N)c1ccc(-c2ccccc2)cc1 ZINC000594433617 1039784774 /nfs/dbraw/zinc/78/47/74/1039784774.db2.gz PUIJIKBKHCGVPI-IBGZPJMESA-N 0 3 321.424 3.728 20 30 DHEDHN CCCN(C(=O)[C@@H](N)CCCCC#N)[C@@H](CC)c1ccccc1 ZINC000594426383 1039790733 /nfs/dbraw/zinc/79/07/33/1039790733.db2.gz CNNXKANRDVVYQA-ROUUACIJSA-N 0 3 315.461 3.788 20 30 DHEDHN CCCOc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000594497504 1039801297 /nfs/dbraw/zinc/80/12/97/1039801297.db2.gz CLKSFIOIQKPCNM-UHFFFAOYSA-N 0 3 323.440 3.961 20 30 DHEDHN Cc1c(CNCc2ccc(C(C)(C)C#N)cc2)cccc1[N+](=O)[O-] ZINC000594503746 1039804787 /nfs/dbraw/zinc/80/47/87/1039804787.db2.gz ITPAUGPHHKEJGD-UHFFFAOYSA-N 0 3 323.396 3.994 20 30 DHEDHN CC[C@@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000594514390 1039819213 /nfs/dbraw/zinc/81/92/13/1039819213.db2.gz WFLMQXHKRVGEKD-IEBWSBKVSA-N 0 3 319.408 3.552 20 30 DHEDHN CN(C)c1ccccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594921444 1039926418 /nfs/dbraw/zinc/92/64/18/1039926418.db2.gz KMIXSOZRLAMJOT-UHFFFAOYSA-N 0 3 305.425 3.598 20 30 DHEDHN CS[C@H](C(=O)C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000172544523 1039929151 /nfs/dbraw/zinc/92/91/51/1039929151.db2.gz JTAVOOIYBRNTDH-OCCSQVGLSA-N 0 3 302.424 3.732 20 30 DHEDHN C[C@]1(Cc2ccccc2F)CCCN1Cc1ccc(C#N)cn1 ZINC000594015300 1039942131 /nfs/dbraw/zinc/94/21/31/1039942131.db2.gz IHNWDYXEBVSXJP-LJQANCHMSA-N 0 3 309.388 3.690 20 30 DHEDHN CC(C)N(C)c1ccc(CNC(C)(C)c2cccc(C#N)c2)cn1 ZINC000594968641 1039947121 /nfs/dbraw/zinc/94/71/21/1039947121.db2.gz LQDLGRHSVCMLER-UHFFFAOYSA-N 0 3 322.456 3.823 20 30 DHEDHN CN1Cc2ccccc2[C@@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594939941 1039953316 /nfs/dbraw/zinc/95/33/16/1039953316.db2.gz WSGOFLPJHKONSS-FQEVSTJZSA-N 0 3 317.436 3.518 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H](OC2CCCC2)C(F)(F)F)C1 ZINC000595071178 1040035320 /nfs/dbraw/zinc/03/53/20/1040035320.db2.gz AIPKSYVHWZQZHE-YRGRVCCFSA-N 0 3 304.356 3.548 20 30 DHEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000595050630 1040050091 /nfs/dbraw/zinc/05/00/91/1040050091.db2.gz SSXXENDULZOPRR-YNEHKIRRSA-N 0 3 308.447 3.715 20 30 DHEDHN C[C@H](O)[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595101961 1040065698 /nfs/dbraw/zinc/06/56/98/1040065698.db2.gz GQJKHOBLLYUKIM-VHKYSDTDSA-N 0 3 306.409 3.647 20 30 DHEDHN C[C@H](NC[C@H]1CCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000595104723 1040067524 /nfs/dbraw/zinc/06/75/24/1040067524.db2.gz SMCZWSJHRPTUEP-MAUKXSAKSA-N 0 3 323.415 3.622 20 30 DHEDHN C=C[C@H](CO)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595105373 1040067991 /nfs/dbraw/zinc/06/79/91/1040067991.db2.gz FPPHXNPTXJVIFT-VXGBXAGGSA-N 0 3 318.398 3.521 20 30 DHEDHN CC(C)[C@H](O)[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000595095174 1040081050 /nfs/dbraw/zinc/08/10/50/1040081050.db2.gz GDHQOYXCOMIBRP-BEVDRBHNSA-N 0 3 308.425 3.967 20 30 DHEDHN CC(C)[C@@H](O)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000595097391 1040082513 /nfs/dbraw/zinc/08/25/13/1040082513.db2.gz VFBPEIMWCPTJRG-RYGJVYDSSA-N 0 3 308.425 3.967 20 30 DHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595602622 1040201762 /nfs/dbraw/zinc/20/17/62/1040201762.db2.gz JFQRQNMDSKQFFG-WBVHZDCISA-N 0 3 322.412 3.833 20 30 DHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000595602308 1040202524 /nfs/dbraw/zinc/20/25/24/1040202524.db2.gz HZRUGVYBUJBSNU-RDJZCZTQSA-N 0 3 322.412 3.833 20 30 DHEDHN COc1ccc([C@H]2CCCN2CCCSCC#N)cc1F ZINC000595751002 1040241709 /nfs/dbraw/zinc/24/17/09/1040241709.db2.gz FDSDWIMJHVZFBR-OAHLLOKOSA-N 0 3 308.422 3.618 20 30 DHEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000173970660 1040471069 /nfs/dbraw/zinc/47/10/69/1040471069.db2.gz QNAJYXCTWUWNNS-XJKSGUPXSA-N 0 3 308.381 3.923 20 30 DHEDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1[O-] ZINC000761205420 1040588600 /nfs/dbraw/zinc/58/86/00/1040588600.db2.gz CVLZYPJBVLOYQQ-NSHDSACASA-N 0 3 316.788 3.777 20 30 DHEDHN N#CC1(c2ccc(CN3CCC[C@@H]3c3cccnc3)cc2)CC1 ZINC000597127204 1040656495 /nfs/dbraw/zinc/65/64/95/1040656495.db2.gz NJPDMGUXIKNPNA-LJQANCHMSA-N 0 3 303.409 3.974 20 30 DHEDHN COc1cccc([C@@]2(C)CCN(Cc3cc(C#N)cs3)C2)c1 ZINC000597212626 1040685985 /nfs/dbraw/zinc/68/59/85/1040685985.db2.gz WBVREXHPDQQLRS-SFHVURJKSA-N 0 3 312.438 3.792 20 30 DHEDHN N#Cc1ccc2ncc(CN3CC[C@H](C4CCCCC4)C3)n2c1 ZINC000597203100 1040691712 /nfs/dbraw/zinc/69/17/12/1040691712.db2.gz MUJQOTPFXXDQPS-KRWDZBQOSA-N 0 3 308.429 3.608 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456346943 1040785248 /nfs/dbraw/zinc/78/52/48/1040785248.db2.gz UGVLJCSVDTZKQA-ROUUACIJSA-N 0 3 314.473 3.569 20 30 DHEDHN N#CCC[C@@H](C#N)CNC[C@]1(Cc2ccccc2)C=CCCC1 ZINC000601938154 1040837023 /nfs/dbraw/zinc/83/70/23/1040837023.db2.gz XLRSSQQJDSPGNB-VQTJNVASSA-N 0 3 307.441 3.989 20 30 DHEDHN CCC(CC)[C@H]1C[C@@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602015529 1040851125 /nfs/dbraw/zinc/85/11/25/1040851125.db2.gz LHTHJXJEDBUPPF-MAUKXSAKSA-N 0 3 304.409 3.771 20 30 DHEDHN N#Cc1c(F)cccc1CNC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000602002976 1040854250 /nfs/dbraw/zinc/85/42/50/1040854250.db2.gz CJFHZNGHGTVTPD-XLIONFOSSA-N 0 3 324.399 3.955 20 30 DHEDHN N#Cc1ccc(C2(NCc3ccc4nccnc4c3)CCC2)cc1 ZINC000602029357 1040858635 /nfs/dbraw/zinc/85/86/35/1040858635.db2.gz VBEKDIWIOUGSBL-UHFFFAOYSA-N 0 3 314.392 3.670 20 30 DHEDHN CCOc1cc2c(cc1OCC)CN(C[C@@H](C)CCC#N)CC2 ZINC000602437277 1041033396 /nfs/dbraw/zinc/03/33/96/1041033396.db2.gz STWFIXZBVFUSAQ-HNNXBMFYSA-N 0 3 316.445 3.782 20 30 DHEDHN C[C@@H](CCC#N)CN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000602467565 1041047665 /nfs/dbraw/zinc/04/76/65/1041047665.db2.gz XMUQGKVXBAFPBI-KSSFIOAISA-N 0 3 314.408 3.520 20 30 DHEDHN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1CCSCC1 ZINC000602485087 1041054353 /nfs/dbraw/zinc/05/43/53/1041054353.db2.gz PRSUFANFEJXOQD-ROUUACIJSA-N 0 3 300.471 3.901 20 30 DHEDHN COc1ccc([C@@H]2CCCN2CC2(CC#N)CC2)cc1OC ZINC000602758954 1041191972 /nfs/dbraw/zinc/19/19/72/1041191972.db2.gz KGFFHOUQYXTIOC-HNNXBMFYSA-N 0 3 300.402 3.535 20 30 DHEDHN CC(C)(C)c1csc(CC2CCN(CCCC#N)CC2)n1 ZINC000602893034 1041300411 /nfs/dbraw/zinc/30/04/11/1041300411.db2.gz OMZAVVZCWZQHAH-UHFFFAOYSA-N 0 3 305.491 3.999 20 30 DHEDHN Cc1ccc(F)cc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602905777 1041304090 /nfs/dbraw/zinc/30/40/90/1041304090.db2.gz BSHHLCAVIYVVBF-UHFFFAOYSA-N 0 3 309.388 3.780 20 30 DHEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(Cl)c1Cl ZINC000598603461 1041349098 /nfs/dbraw/zinc/34/90/98/1041349098.db2.gz UCNDFXNFUFROBK-MNOVXSKESA-N 0 3 315.244 3.945 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CN1CCCC[C@H]1c1ccc(F)cc1 ZINC000598594701 1041353575 /nfs/dbraw/zinc/35/35/75/1041353575.db2.gz IDIGTHKEEDMBRQ-IRXDYDNUSA-N 0 3 304.409 3.653 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ccccc1)c1ccccn1 ZINC000280786863 334971120 /nfs/dbraw/zinc/97/11/20/334971120.db2.gz IXMBPOJPANUOLX-RLLQIKCJSA-N 0 3 308.425 3.742 20 30 DHEDHN COc1ccc(Oc2cc(CN[C@@H]3CC[C@@H](C#N)C3)ccn2)cc1 ZINC000442705840 335030197 /nfs/dbraw/zinc/03/01/97/335030197.db2.gz BXBAXOBKMNNENV-GDBMZVCRSA-N 0 3 323.396 3.664 20 30 DHEDHN C=CCN(CCOc1ccccc1C#N)CCc1ccccc1 ZINC000520130095 335036809 /nfs/dbraw/zinc/03/68/09/335036809.db2.gz XCVUBPRGEYYAQW-UHFFFAOYSA-N 0 3 306.409 3.668 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2cccnc2Oc2cccc(F)c2)C1 ZINC000442718384 335050047 /nfs/dbraw/zinc/05/00/47/335050047.db2.gz OQZHLXBURLPDGN-XJKSGUPXSA-N 0 3 311.360 3.795 20 30 DHEDHN C#Cc1ccc(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000289345655 335058288 /nfs/dbraw/zinc/05/82/88/335058288.db2.gz WVCJHGQQLWQGRR-OAHLLOKOSA-N 0 3 318.420 3.867 20 30 DHEDHN CC(=O)Nc1ccn([C@@H]2CCN(Cc3c(C)cccc3C)C2)n1 ZINC000328637602 257263472 /nfs/dbraw/zinc/26/34/72/257263472.db2.gz WBPDOHMCUKPZOK-MRXNPFEDSA-N 0 3 312.417 3.555 20 30 DHEDHN C#CCCOc1ccc(CN2CCC[C@H]2c2ccncc2)cc1 ZINC000289373628 335062874 /nfs/dbraw/zinc/06/28/74/335062874.db2.gz BBOUZANPFHWSRB-FQEVSTJZSA-N 0 3 306.409 3.821 20 30 DHEDHN C[C@@H](N[C@H](CCO)c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000287085359 131262672 /nfs/dbraw/zinc/26/26/72/131262672.db2.gz PAZLCZASJWAXLN-FZKQIMNGSA-N 0 3 314.816 3.986 20 30 DHEDHN C[C@@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000287085357 131263356 /nfs/dbraw/zinc/26/33/56/131263356.db2.gz PAZLCZASJWAXLN-ACJLOTCBSA-N 0 3 314.816 3.986 20 30 DHEDHN CCc1ccc([C@H](O)CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000287706496 131295848 /nfs/dbraw/zinc/29/58/48/131295848.db2.gz XIXOLHBUNQPOKH-ORAYPTAESA-N 0 3 312.388 3.644 20 30 DHEDHN CCc1ccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000287706490 131295866 /nfs/dbraw/zinc/29/58/66/131295866.db2.gz XIXOLHBUNQPOKH-DJJJIMSYSA-N 0 3 312.388 3.644 20 30 DHEDHN CC[C@H](COCC(F)(F)F)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000297376908 132012752 /nfs/dbraw/zinc/01/27/52/132012752.db2.gz QUBKQRCFJVILJJ-GXFFZTMASA-N 0 3 318.314 3.705 20 30 DHEDHN C#CC[C@@H](NCc1ccc(COCCOC)cc1)c1ccccc1 ZINC000290135467 335069443 /nfs/dbraw/zinc/06/94/43/335069443.db2.gz NHPIGNGOGHKVPP-OAQYLSRUSA-N 0 3 323.436 3.704 20 30 DHEDHN C#Cc1ccc(CNCc2ccnc(N3CCCCCC3)c2)cc1 ZINC000290196773 335069843 /nfs/dbraw/zinc/06/98/43/335069843.db2.gz CPJNNXBFIDRHMO-UHFFFAOYSA-N 0 3 319.452 3.733 20 30 DHEDHN C#Cc1ccc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000290468996 335071482 /nfs/dbraw/zinc/07/14/82/335071482.db2.gz UPSPQSZHZQFUMG-FPOVZHCZSA-N 0 3 305.421 3.925 20 30 DHEDHN C=CCC(C)(C)c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000291907447 335084861 /nfs/dbraw/zinc/08/48/61/335084861.db2.gz MLGJNFKKQLSMJJ-UHFFFAOYSA-N 0 3 315.417 3.531 20 30 DHEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)C12CCCCC2 ZINC000533446179 331532172 /nfs/dbraw/zinc/53/21/72/331532172.db2.gz OCHZBGDJOLWBNK-ZWKOTPCHSA-N 0 3 316.420 3.915 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cc(C)cc3ccccc32)CC1 ZINC000297485264 331599608 /nfs/dbraw/zinc/59/96/08/331599608.db2.gz SWJCEFRNXZDVBJ-UHFFFAOYSA-N 0 3 323.440 3.920 20 30 DHEDHN Cc1nc(-c2ccc(CNCc3cc(C#N)n(C)c3)cc2)cs1 ZINC000580697685 332919697 /nfs/dbraw/zinc/91/96/97/332919697.db2.gz JIMKDQBCUKCNKQ-UHFFFAOYSA-N 0 3 322.437 3.619 20 30 DHEDHN CC[C@@H](NCCc1nnc(C(C)C)s1)c1ccc(C#N)cc1 ZINC000426306874 332040863 /nfs/dbraw/zinc/04/08/63/332040863.db2.gz MAGQKCNFOYSRSM-OAHLLOKOSA-N 0 3 314.458 3.817 20 30 DHEDHN C=CCCOCCN[C@H]1CCc2cc(Br)ccc21 ZINC000090883863 332053786 /nfs/dbraw/zinc/05/37/86/332053786.db2.gz GWDPTYHBVOFQOX-HNNXBMFYSA-N 0 3 310.235 3.619 20 30 DHEDHN Cc1ccc(CCNCc2ccc(C#N)cc2C(F)(F)F)o1 ZINC000569466894 332096471 /nfs/dbraw/zinc/09/64/71/332096471.db2.gz NHMFAOJDMZINNH-UHFFFAOYSA-N 0 3 308.303 3.811 20 30 DHEDHN C=CCN1CC[C@H](N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)C1=O ZINC000410380674 332121403 /nfs/dbraw/zinc/12/14/03/332121403.db2.gz HRMHKCGAGGKXEU-NZSAHSFTSA-N 0 3 312.457 3.555 20 30 DHEDHN N#Cc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(Br)c1 ZINC000181144929 332186577 /nfs/dbraw/zinc/18/65/77/332186577.db2.gz JZQNJRMDAZHJCV-CHWSQXEVSA-N 0 3 305.219 3.553 20 30 DHEDHN C[C@H](N[C@H](CO)C1CCCCC1)c1ccc(C#N)cc1Cl ZINC000583359328 332350980 /nfs/dbraw/zinc/35/09/80/332350980.db2.gz RCEKVZTWXNNASQ-YVEFUNNKSA-N 0 3 306.837 3.803 20 30 DHEDHN C=CCC[C@H](NC[C@@H](O)COc1cccc(C)c1)c1ccco1 ZINC000560531489 332353478 /nfs/dbraw/zinc/35/34/78/332353478.db2.gz ZJEVGEVMOKKIJF-AEFFLSMTSA-N 0 3 315.413 3.625 20 30 DHEDHN C=CCC[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccco1 ZINC000560536023 332354249 /nfs/dbraw/zinc/35/42/49/332354249.db2.gz HLXVFNHKHXLSQR-DLBZAZTESA-N 0 3 303.377 3.619 20 30 DHEDHN C=CCOc1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000560611680 332368055 /nfs/dbraw/zinc/36/80/55/332368055.db2.gz NXPBTDWTGSHISQ-LJQANCHMSA-N 0 3 313.441 3.642 20 30 DHEDHN CC(C)(C#N)CCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000119907974 332379872 /nfs/dbraw/zinc/37/98/72/332379872.db2.gz SEBGOPKMFJWWBY-HNNXBMFYSA-N 0 3 300.402 3.535 20 30 DHEDHN Cc1ccc([C@H](O)CNCc2cccc(OCCCC#N)c2)cc1 ZINC000237791342 332390450 /nfs/dbraw/zinc/39/04/50/332390450.db2.gz JQFZZJBLQULCAM-HXUWFJFHSA-N 0 3 324.424 3.501 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](OC)c1ccccc1 ZINC000560984537 332399345 /nfs/dbraw/zinc/39/93/45/332399345.db2.gz XPOZQMGORFEALA-HXUWFJFHSA-N 0 3 306.409 3.934 20 30 DHEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc([N+](=O)[O-])c1 ZINC000564418937 332637661 /nfs/dbraw/zinc/63/76/61/332637661.db2.gz ICNWSGHQXLUPEO-XIKOKIGWSA-N 0 3 307.353 3.805 20 30 DHEDHN C=CC[C@H](C)NCc1ccc(OC)cc1OCc1cccnc1 ZINC000443986299 332647724 /nfs/dbraw/zinc/64/77/24/332647724.db2.gz IIKOIQIADHTYJP-HNNXBMFYSA-N 0 3 312.413 3.723 20 30 DHEDHN C=C(C)COc1cc(CNCCC(F)(F)F)ccc1OC ZINC000525708877 332688476 /nfs/dbraw/zinc/68/84/76/332688476.db2.gz NSDHAZJIJVWKAI-UHFFFAOYSA-N 0 3 303.324 3.692 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](C)[C@H]1C)C(C)C ZINC000465548533 332974119 /nfs/dbraw/zinc/97/41/19/332974119.db2.gz UUGZJRXSDCTKTR-RCCFBDPRSA-N 0 3 321.509 3.515 20 30 DHEDHN CCCN(CCCC(C)(C)C#N)CC(=O)Nc1ccccc1C ZINC000174808942 333091018 /nfs/dbraw/zinc/09/10/18/333091018.db2.gz CRRZGBPFQSASIO-UHFFFAOYSA-N 0 3 315.461 3.976 20 30 DHEDHN CC(C#N)C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000462039893 333111649 /nfs/dbraw/zinc/11/16/49/333111649.db2.gz PLJVKWGLMVDGKS-ACJLOTCBSA-N 0 3 304.349 3.798 20 30 DHEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(N(C)C)cc1 ZINC000180554096 333163131 /nfs/dbraw/zinc/16/31/31/333163131.db2.gz ICVGUXKTWDAIMU-HXUWFJFHSA-N 0 3 323.440 3.896 20 30 DHEDHN COc1cc(F)cc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182104670 333175762 /nfs/dbraw/zinc/17/57/62/333175762.db2.gz LZLGZUOBCAFBIM-ZDUSSCGKSA-N 0 3 314.360 3.587 20 30 DHEDHN C[C@@H](c1ccsc1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000185439188 333208662 /nfs/dbraw/zinc/20/86/62/333208662.db2.gz UVXDFIKWROUVMV-HNNXBMFYSA-N 0 3 305.491 3.757 20 30 DHEDHN CC[C@H](C)C(=O)Nc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185791744 333214127 /nfs/dbraw/zinc/21/41/27/333214127.db2.gz AATGNAZLZBXAGO-ZOBUZTSGSA-N 0 3 313.445 3.843 20 30 DHEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(N2CCCC2=O)c1 ZINC000185798751 333214277 /nfs/dbraw/zinc/21/42/77/333214277.db2.gz SWVUGPIVGGTSHR-ZOBUZTSGSA-N 0 3 311.429 3.546 20 30 DHEDHN C=CCC(C)(C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000294846149 335128336 /nfs/dbraw/zinc/12/83/36/335128336.db2.gz SDVJUWBSISGXHB-UHFFFAOYSA-N 0 3 314.473 3.712 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000185344940 335129063 /nfs/dbraw/zinc/12/90/63/335129063.db2.gz NETAYMVEMLOSNZ-HOTGVXAUSA-N 0 3 320.502 3.679 20 30 DHEDHN CCCN(CCOc1ccccc1C#N)Cc1ccc(C#N)cc1 ZINC000497615287 333269910 /nfs/dbraw/zinc/26/99/10/333269910.db2.gz LCJKTPNDEYAVHE-UHFFFAOYSA-N 0 3 319.408 3.721 20 30 DHEDHN COc1ccc([C@H]2CCCN2CCOc2ccccc2C#N)cc1 ZINC000497619318 333270414 /nfs/dbraw/zinc/27/04/14/333270414.db2.gz RUXFLYWHEHZQHG-LJQANCHMSA-N 0 3 322.408 3.783 20 30 DHEDHN Cc1c([C@@H](C)NCc2ccc(OCC#N)cc2)cnn1C(C)C ZINC000191355523 333279553 /nfs/dbraw/zinc/27/95/53/333279553.db2.gz JQSJRRUVXOEFMN-CQSZACIVSA-N 0 3 312.417 3.526 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C)[C@H](C)C1 ZINC000501779637 333279594 /nfs/dbraw/zinc/27/95/94/333279594.db2.gz XKQDMINVVCEUKB-XHSDSOJGSA-N 0 3 320.502 3.629 20 30 DHEDHN COc1cc(C)c([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000192670978 333291146 /nfs/dbraw/zinc/29/11/46/333291146.db2.gz ATCXHMSIWHAPQK-SOUVJXGZSA-N 0 3 302.418 3.745 20 30 DHEDHN Cc1cc(CN(C)CCOCc2ccc(C#N)cc2)cc(C)c1O ZINC000583468192 333359704 /nfs/dbraw/zinc/35/97/04/333359704.db2.gz KQFQYXPVDZPMKI-UHFFFAOYSA-N 0 3 324.424 3.529 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000188448543 333367183 /nfs/dbraw/zinc/36/71/83/333367183.db2.gz LINANXOFZYVTBS-QILLFSRXSA-N 0 3 320.502 3.850 20 30 DHEDHN C[C@H](NCC(=O)Nc1sccc1C#N)[C@@H](C)C1CCCCC1 ZINC000185516601 335137949 /nfs/dbraw/zinc/13/79/49/335137949.db2.gz DPRAMLOKJBLTHW-OLZOCXBDSA-N 0 3 319.474 3.753 20 30 DHEDHN C=CCN1CC[C@@H](N[C@H](CC(C)(C)C)c2ccccc2)C1=O ZINC000337182197 333442779 /nfs/dbraw/zinc/44/27/79/333442779.db2.gz MWBWNDWZMNAGDT-IAGOWNOFSA-N 0 3 300.446 3.540 20 30 DHEDHN COc1cccc(F)c1[C@@H](C)NCCCC1(C#N)CCOCC1 ZINC000337188229 333443051 /nfs/dbraw/zinc/44/30/51/333443051.db2.gz QRQWMNBBWOUYBL-CQSZACIVSA-N 0 3 320.408 3.585 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc3c(c2)COC3)cc1 ZINC000296378451 335143981 /nfs/dbraw/zinc/14/39/81/335143981.db2.gz JMRUFCFEGAXLLD-OAHLLOKOSA-N 0 3 307.393 3.580 20 30 DHEDHN CC(C)(C)OC(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411214466 333642483 /nfs/dbraw/zinc/64/24/83/333642483.db2.gz FTNBSWREGPUVAH-UHFFFAOYSA-N 0 3 320.477 3.904 20 30 DHEDHN CC[C@@H](NCc1cc(C#N)cs1)c1ccc2c(c1)OCCO2 ZINC000343408821 335162874 /nfs/dbraw/zinc/16/28/74/335162874.db2.gz DFWSLCJPNKKIQB-OAHLLOKOSA-N 0 3 314.410 3.632 20 30 DHEDHN COc1cc([C@H](C)NCC(C)(C)CC#N)ccc1OC(F)F ZINC000414161036 333914941 /nfs/dbraw/zinc/91/49/41/333914941.db2.gz DYNIAVDIZULHCA-NSHDSACASA-N 0 3 312.360 3.887 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)cc(Br)c2)C1 ZINC000414243500 333919131 /nfs/dbraw/zinc/91/91/31/333919131.db2.gz OYCVTKOQPVDDDT-TVQRCGJNSA-N 0 3 313.626 3.884 20 30 DHEDHN C#CC[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000270165709 334008270 /nfs/dbraw/zinc/00/82/70/334008270.db2.gz GMXAGTSHIBWWRW-NRFANRHFSA-N 0 3 317.436 3.891 20 30 DHEDHN Cc1cc(C)cc([C@@H](O)CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271878816 334027908 /nfs/dbraw/zinc/02/79/08/334027908.db2.gz YJKRARJJMBIGAF-JXFKEZNVSA-N 0 3 324.424 3.590 20 30 DHEDHN C[C@@H](N[C@H](CCCO)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271913194 334028594 /nfs/dbraw/zinc/02/85/94/334028594.db2.gz BOCLQCUWONWQNO-AUUYWEPGSA-N 0 3 312.388 3.862 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(OCc3ccccc3)c2)C1 ZINC000274206441 334057176 /nfs/dbraw/zinc/05/71/76/334057176.db2.gz MLTHSZJXGSCQCX-PKOBYXMFSA-N 0 3 321.424 3.833 20 30 DHEDHN CC(C)c1ccc([C@H](N)CNC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000414672851 334065795 /nfs/dbraw/zinc/06/57/95/334065795.db2.gz ICBFPOYTSXBVBI-GOSISDBHSA-N 0 3 322.412 3.503 20 30 DHEDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCCSCC#N ZINC000278950204 334103983 /nfs/dbraw/zinc/10/39/83/334103983.db2.gz OKPCCNXFLJUDJJ-OAHLLOKOSA-N 0 3 312.866 3.606 20 30 DHEDHN CCN(CC)[C@@H](CNc1nccc(C)c1C#N)c1ccsc1 ZINC000343509934 335172993 /nfs/dbraw/zinc/17/29/93/335172993.db2.gz KLOAKFJJNVEVRO-INIZCTEOSA-N 0 3 314.458 3.818 20 30 DHEDHN CC(C)[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279301941 334107602 /nfs/dbraw/zinc/10/76/02/334107602.db2.gz MERGIYHOYAXGES-GUDVDZBRSA-N 0 3 323.440 3.572 20 30 DHEDHN CC(C)CCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279564355 334110105 /nfs/dbraw/zinc/11/01/05/334110105.db2.gz XYMGPWMIFWWRPV-CRAIPNDOSA-N 0 3 311.429 3.572 20 30 DHEDHN CCCOc1ccc(C[NH2+]CC2CCC(C#N)CC2)c([O-])c1 ZINC000281713951 334127928 /nfs/dbraw/zinc/12/79/28/334127928.db2.gz OQLZRBJUUNRXEP-UHFFFAOYSA-N 0 3 302.418 3.601 20 30 DHEDHN CCCn1c2ccccc2nc1CNCC1CCC(C#N)CC1 ZINC000282476948 334135063 /nfs/dbraw/zinc/13/50/63/334135063.db2.gz VCBBXZKVLQBTRO-UHFFFAOYSA-N 0 3 310.445 3.866 20 30 DHEDHN CN(C)Cc1ccc(-c2noc(-c3ccc(CC#N)cc3)n2)cc1 ZINC000340176463 334140459 /nfs/dbraw/zinc/14/04/59/334140459.db2.gz FNTDJNPMVZWWEK-UHFFFAOYSA-N 0 3 318.380 3.531 20 30 DHEDHN CN1CCN(CCCCC(C)(C)C#N)C[C@H]1Cc1ccccc1 ZINC000284780654 334144408 /nfs/dbraw/zinc/14/44/08/334144408.db2.gz NXHUYRNNWCWEDF-LJQANCHMSA-N 0 3 313.489 3.565 20 30 DHEDHN Cn1cc(CNCC2(CC#N)CC2)c(-c2ccccc2Cl)n1 ZINC000366638041 334144676 /nfs/dbraw/zinc/14/46/76/334144676.db2.gz MJICMQIWJOJHJO-UHFFFAOYSA-N 0 3 314.820 3.524 20 30 DHEDHN Cc1cccnc1OC1CCN(CCCCC(C)(C)C#N)CC1 ZINC000289466775 334165559 /nfs/dbraw/zinc/16/55/59/334165559.db2.gz WMAXIXUWWIZTEJ-UHFFFAOYSA-N 0 3 315.461 3.953 20 30 DHEDHN CC1(C#N)CCN(CCn2ccc3cc(Cl)ccc32)CC1 ZINC000289519991 334166013 /nfs/dbraw/zinc/16/60/13/334166013.db2.gz MJWBPGBQCOTXSL-UHFFFAOYSA-N 0 3 301.821 3.920 20 30 DHEDHN N#CCCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290896902 334175171 /nfs/dbraw/zinc/17/51/71/334175171.db2.gz NMUGKSDEWPSNDU-UHFFFAOYSA-N 0 3 302.161 3.685 20 30 DHEDHN N#CCOc1ccc(CNCc2ccc3c(c2)CCCC3)cc1 ZINC000291836727 334182300 /nfs/dbraw/zinc/18/23/00/334182300.db2.gz CERZAOHAEMJMNB-UHFFFAOYSA-N 0 3 306.409 3.758 20 30 DHEDHN N#C[C@H]1CC[C@H](N2CCC(c3noc4cc(F)ccc43)CC2)C1 ZINC000293542544 334198882 /nfs/dbraw/zinc/19/88/82/334198882.db2.gz KJXSUMWJORIHBG-WFASDCNBSA-N 0 3 313.376 3.839 20 30 DHEDHN CCOc1ccccc1[C@@H](CC(C)C)NCCOCCC#N ZINC000294579534 334210981 /nfs/dbraw/zinc/21/09/81/334210981.db2.gz MQNHPRFYNTYZOJ-QGZVFWFLSA-N 0 3 304.434 3.692 20 30 DHEDHN N#C[C@H]1CC[C@H](N2CCCN(c3ccccc3Cl)CC2)C1 ZINC000296123391 334230110 /nfs/dbraw/zinc/23/01/10/334230110.db2.gz YOQFNJXSLBHVKC-GJZGRUSLSA-N 0 3 303.837 3.544 20 30 DHEDHN C[C@@H](CCC#N)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000297962746 334245208 /nfs/dbraw/zinc/24/52/08/334245208.db2.gz UOXZEMPPWMLHTO-HNNXBMFYSA-N 0 3 305.853 3.540 20 30 DHEDHN COc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1Br ZINC000299714781 334257572 /nfs/dbraw/zinc/25/75/72/334257572.db2.gz RCRTTWCJZSNYBH-GHMZBOCLSA-N 0 3 311.223 3.801 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2sc(C)nc2C)cc1 ZINC000119835095 334291326 /nfs/dbraw/zinc/29/13/26/334291326.db2.gz GVASLUCZACOKKE-GFCCVEGCSA-N 0 3 300.427 3.623 20 30 DHEDHN N#Cc1cccc(CN2CC[C@@H](Oc3cccc(Cl)c3)C2)c1 ZINC000534654930 334313361 /nfs/dbraw/zinc/31/33/61/334313361.db2.gz XBPVDYDZXOIVTJ-GOSISDBHSA-N 0 3 312.800 3.865 20 30 DHEDHN C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)c1cccc(C#N)c1 ZINC000342429165 334539982 /nfs/dbraw/zinc/53/99/82/334539982.db2.gz FSJBXODSQMKNSB-OAHLLOKOSA-N 0 3 316.408 3.810 20 30 DHEDHN C=CC[C@H](C)N[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000342439376 334541463 /nfs/dbraw/zinc/54/14/63/334541463.db2.gz YUUUAEYEESKTQM-LPHOPBHVSA-N 0 3 308.425 3.598 20 30 DHEDHN C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1CNC ZINC000415894947 334625288 /nfs/dbraw/zinc/62/52/88/334625288.db2.gz APIOQTZLFIXDCI-UHFFFAOYSA-N 0 3 323.440 3.669 20 30 DHEDHN C=CC[C@H]1N(C(=O)Nc2ccc3c(c2)CNC3)CCCC1(C)C ZINC000416020059 334642501 /nfs/dbraw/zinc/64/25/01/334642501.db2.gz XPUDITOQNNAEGT-QGZVFWFLSA-N 0 3 313.445 3.888 20 30 DHEDHN C=CCCOCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303660 334704231 /nfs/dbraw/zinc/70/42/31/334704231.db2.gz APZTUFRUEOSSAU-KRWDZBQOSA-N 0 3 304.390 3.545 20 30 DHEDHN Cc1cc(CNCCc2csc(C(C)(C)C)n2)ccc1C#N ZINC000443983582 338465323 /nfs/dbraw/zinc/46/53/23/338465323.db2.gz FPTLXNAPQMNINU-UHFFFAOYSA-N 0 3 313.470 3.953 20 30 DHEDHN Cc1ccc(CNCCOc2ccc(C#N)cc2)cc1Cl ZINC000443997026 338466059 /nfs/dbraw/zinc/46/60/59/338466059.db2.gz WDGDERZZBNDGBJ-UHFFFAOYSA-N 0 3 300.789 3.689 20 30 DHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(C(F)(F)F)c1 ZINC000189585045 334902549 /nfs/dbraw/zinc/90/25/49/334902549.db2.gz GRTSVUZCGXTEEZ-LLVKDONJSA-N 0 3 307.319 3.766 20 30 DHEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000343691639 335188667 /nfs/dbraw/zinc/18/86/67/335188667.db2.gz NWYJCFIMCSKHEB-SFHVURJKSA-N 0 3 322.408 3.765 20 30 DHEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C12CCCC2 ZINC000344277085 335235691 /nfs/dbraw/zinc/23/56/91/335235691.db2.gz CCNKEQCJDRYPDA-IAGOWNOFSA-N 0 3 302.393 3.525 20 30 DHEDHN N#Cc1ccc(OCCNCc2cc3cc(F)ccc3o2)cc1 ZINC000344594815 335262409 /nfs/dbraw/zinc/26/24/09/335262409.db2.gz RKAIUKLSDOESAQ-UHFFFAOYSA-N 0 3 310.328 3.612 20 30 DHEDHN N#Cc1csc(CNCc2ccc(-c3cccnc3)cc2)c1 ZINC000344595213 335262426 /nfs/dbraw/zinc/26/24/26/335262426.db2.gz TZHGGQGVOKQGPH-UHFFFAOYSA-N 0 3 305.406 3.972 20 30 DHEDHN Cc1nc(C)c(CNCc2cccc(OCCCC#N)c2)s1 ZINC000344617484 335264350 /nfs/dbraw/zinc/26/43/50/335264350.db2.gz UHGSIJSASFSGRV-UHFFFAOYSA-N 0 3 315.442 3.732 20 30 DHEDHN CO[C@H](CNCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000344734937 335272177 /nfs/dbraw/zinc/27/21/77/335272177.db2.gz ZHCVVCQJKAGGKI-QGZVFWFLSA-N 0 3 300.789 3.689 20 30 DHEDHN N#Cc1ccc(CNC[C@H]2SCCc3ccccc32)s1 ZINC000344757255 335273614 /nfs/dbraw/zinc/27/36/14/335273614.db2.gz GQOQWKKQULWONZ-MRXNPFEDSA-N 0 3 300.452 3.740 20 30 DHEDHN N#Cc1csc(CNC[C@@H]2SCCc3ccccc32)c1 ZINC000344778321 335276811 /nfs/dbraw/zinc/27/68/11/335276811.db2.gz RHZRWPPDDJUQKH-INIZCTEOSA-N 0 3 300.452 3.740 20 30 DHEDHN COc1cccc(C2(F)CCN(CCCSCC#N)CC2)c1 ZINC000366882703 335285120 /nfs/dbraw/zinc/28/51/20/335285120.db2.gz LWRVIWZZYPDBJN-UHFFFAOYSA-N 0 3 322.449 3.603 20 30 DHEDHN CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000345766891 335349840 /nfs/dbraw/zinc/34/98/40/335349840.db2.gz ZYZRTBYGBZVDRO-HNNXBMFYSA-N 0 3 309.417 3.548 20 30 DHEDHN CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000345766891 335349841 /nfs/dbraw/zinc/34/98/41/335349841.db2.gz ZYZRTBYGBZVDRO-HNNXBMFYSA-N 0 3 309.417 3.548 20 30 DHEDHN COc1ccccc1COC1CCN(CCC(C)(C)C#N)CC1 ZINC000345921520 335365664 /nfs/dbraw/zinc/36/56/64/335365664.db2.gz COWYYZLOJNMSKQ-UHFFFAOYSA-N 0 3 316.445 3.616 20 30 DHEDHN C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000346068114 335372305 /nfs/dbraw/zinc/37/23/05/335372305.db2.gz MPBJUEPAMPHHGD-HNAYVOBHSA-N 0 3 323.415 3.622 20 30 DHEDHN CCCCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000349827602 335704169 /nfs/dbraw/zinc/70/41/69/335704169.db2.gz JRLPWSUOAPCYGS-GDBMZVCRSA-N 0 3 302.418 3.656 20 30 DHEDHN Cc1ccc(C#N)c(NC[C@@H](c2ccc(Cl)cc2)N(C)C)n1 ZINC000536576421 335840686 /nfs/dbraw/zinc/84/06/86/335840686.db2.gz QWQKGKDYTNAFNR-INIZCTEOSA-N 0 3 314.820 3.630 20 30 DHEDHN C=C(C)CCc1noc([C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000351620321 336051442 /nfs/dbraw/zinc/05/14/42/336051442.db2.gz OTRUJVFDIHXMOY-QGZVFWFLSA-N 0 3 311.429 3.958 20 30 DHEDHN C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc2c(c1)CC(=O)N2 ZINC000329816851 336085417 /nfs/dbraw/zinc/08/54/17/336085417.db2.gz WIMDZZBPDGSLFO-XQQFMLRXSA-N 0 3 315.417 3.721 20 30 DHEDHN CC(=O)NC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCCCC1 ZINC000329953716 336099405 /nfs/dbraw/zinc/09/94/05/336099405.db2.gz NLBXWMIRZAGDAH-INIZCTEOSA-N 0 3 321.465 3.639 20 30 DHEDHN CC(C)(CNC(=O)c1coc(C2CCCC2)n1)N1CCCCC1 ZINC000330002645 336104946 /nfs/dbraw/zinc/10/49/46/336104946.db2.gz YYOBQIOBYIBMEH-UHFFFAOYSA-N 0 3 319.449 3.901 20 30 DHEDHN Cc1nc(CC(C)C)oc1C(=O)NC1CC(N2CCCCC2)C1 ZINC000330065071 336110827 /nfs/dbraw/zinc/11/08/27/336110827.db2.gz RQWUEFFMYOCJDU-UHFFFAOYSA-N 0 3 319.449 3.503 20 30 DHEDHN C[C@@H]1CCC[C@H](NCC(=O)Nc2nc3c(s2)CCC3)[C@H]1C ZINC000330080234 336111889 /nfs/dbraw/zinc/11/18/89/336111889.db2.gz OVUKSCZYFLRSND-WOPDTQHZSA-N 0 3 307.463 3.634 20 30 DHEDHN C[C@H](NC(=O)c1coc(C2CCCCC2)n1)C1=CCN(C)CC1 ZINC000330178820 336121003 /nfs/dbraw/zinc/12/10/03/336121003.db2.gz LXSAIUKOVPGHBE-ZDUSSCGKSA-N 0 3 317.433 3.677 20 30 DHEDHN Cc1c(Cl)cccc1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330218669 336125710 /nfs/dbraw/zinc/12/57/10/336125710.db2.gz JPCCGXLXFLKGLH-IUIKQTSFSA-N 0 3 322.836 3.782 20 30 DHEDHN Cc1c[nH]c(-c2ccccc2NC(=O)CN2[C@@H](C)CC[C@@H]2C)n1 ZINC000330245223 336129134 /nfs/dbraw/zinc/12/91/34/336129134.db2.gz XPOSYFUUHADYMQ-KBPBESRZSA-N 0 3 312.417 3.846 20 30 DHEDHN Cc1cccc(NC(=O)[C@H](C)NC[C@H]2CCO[C@@H]2C(C)C)c1 ZINC000330295368 336136815 /nfs/dbraw/zinc/13/68/15/336136815.db2.gz JGNYAFKZFCMBJX-ZMSDIMECSA-N 0 3 304.434 3.622 20 30 DHEDHN C[C@@H]1CC[C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000332713866 336179756 /nfs/dbraw/zinc/17/97/56/336179756.db2.gz YVLBGTQTWCILPI-XJKCOSOUSA-N 0 3 310.401 3.523 20 30 DHEDHN C[C@@H]1CC[C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C1 ZINC000332713861 336179892 /nfs/dbraw/zinc/17/98/92/336179892.db2.gz YVLBGTQTWCILPI-DVOMOZLQSA-N 0 3 310.401 3.523 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2cccc(C(F)F)c2)nc(C)n1 ZINC000352697845 336231028 /nfs/dbraw/zinc/23/10/28/336231028.db2.gz JIBPVWMLDJYHGD-ZDUSSCGKSA-N 0 3 301.296 3.521 20 30 DHEDHN CC1(C)CC[C@@H](CNCc2nc(C#N)cs2)c2ccccc21 ZINC000352806605 336242552 /nfs/dbraw/zinc/24/25/52/336242552.db2.gz ZSIJPIJZHKFNFT-ZDUSSCGKSA-N 0 3 311.454 3.960 20 30 DHEDHN C=CCC[C@H](O)CN1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000532378490 336244071 /nfs/dbraw/zinc/24/40/71/336244071.db2.gz JIKDJLZNJGAALD-SFHVURJKSA-N 0 3 317.473 3.980 20 30 DHEDHN C[C@@H](NC[C@@H](c1ccco1)N1CCCC1)c1ccc(C#N)cc1 ZINC000192915968 336284270 /nfs/dbraw/zinc/28/42/70/336284270.db2.gz WHRFOILYNKDQRW-QAPCUYQASA-N 0 3 309.413 3.639 20 30 DHEDHN C[C@H](N[C@H]1CCOc2ccccc21)c1ccc(OCC#N)cc1 ZINC000193002634 336286854 /nfs/dbraw/zinc/28/68/54/336286854.db2.gz NWRNMOYYEDBJJZ-KSSFIOAISA-N 0 3 308.381 3.763 20 30 DHEDHN C[C@@H](CNc1ccc(Cl)c(C#N)n1)N(C)Cc1ccccc1 ZINC000301283941 336298660 /nfs/dbraw/zinc/29/86/60/336298660.db2.gz UUCVEYSQQDIVNX-ZDUSSCGKSA-N 0 3 314.820 3.539 20 30 DHEDHN Cc1ccc([C@H](CNc2cccc(C#N)n2)N2CCCC2)cc1 ZINC000301291387 336299158 /nfs/dbraw/zinc/29/91/58/336299158.db2.gz URSAPNLOZAMPAC-SFHVURJKSA-N 0 3 306.413 3.511 20 30 DHEDHN CCN(CC)[C@H](CNc1ccc(F)cc1C#N)c1ccco1 ZINC000301340959 336301476 /nfs/dbraw/zinc/30/14/76/336301476.db2.gz FPGCBZBDRVEXMR-MRXNPFEDSA-N 0 3 301.365 3.785 20 30 DHEDHN C[C@@H](c1ccccc1)N1CCC(Nc2ccc(C#N)nc2)CC1 ZINC000301497708 336310409 /nfs/dbraw/zinc/31/04/09/336310409.db2.gz DBPWLZOYKHGFGT-HNNXBMFYSA-N 0 3 306.413 3.591 20 30 DHEDHN C[C@H]1CN(CCCCNc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000301710892 336324987 /nfs/dbraw/zinc/32/49/87/336324987.db2.gz HVOYAOSXZDXAMV-KBPBESRZSA-N 0 3 321.852 3.513 20 30 DHEDHN N#Cc1csc(CN[C@H]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000352949203 336378816 /nfs/dbraw/zinc/37/88/16/336378816.db2.gz RLESQIYUBTUBAO-NEPJUHHUSA-N 0 3 301.390 3.580 20 30 DHEDHN C[C@H](NCCC[C@H]1CCCC[C@H]1O)c1ccc(C#N)cc1F ZINC000305815512 336397117 /nfs/dbraw/zinc/39/71/17/336397117.db2.gz LZUYNEUYIFBAAU-JCKWVBRZSA-N 0 3 304.409 3.679 20 30 DHEDHN CN(C)[C@@H](CNc1c(F)cc(C#N)cc1F)c1cccc(F)c1 ZINC000111220987 336397743 /nfs/dbraw/zinc/39/77/43/336397743.db2.gz XWPJAJZVPYLIHP-INIZCTEOSA-N 0 3 319.330 3.690 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H](c1ccco1)N1CCCC1)CC2 ZINC000353428270 336417294 /nfs/dbraw/zinc/41/72/94/336417294.db2.gz QXOOQFCJYOLHPN-RBUKOAKNSA-N 0 3 321.424 3.565 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000356106399 336535834 /nfs/dbraw/zinc/53/58/34/336535834.db2.gz KCQIVGPPXTVRRU-GJZGRUSLSA-N 0 3 312.335 3.624 20 30 DHEDHN CO[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000356182889 336539719 /nfs/dbraw/zinc/53/97/19/336539719.db2.gz JLTCSPISSDNKNC-CABCVRRESA-N 0 3 312.335 3.624 20 30 DHEDHN Cc1noc(C)c1C[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358574047 336635222 /nfs/dbraw/zinc/63/52/22/336635222.db2.gz RLCVKOLJZVYCLH-WDEREUQCSA-N 0 3 301.365 3.584 20 30 DHEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](NCc1ccc(C#N)o1)CC3 ZINC000361904985 336777638 /nfs/dbraw/zinc/77/76/38/336777638.db2.gz CMYGWJHHXCDCOE-CYBMUJFWSA-N 0 3 305.381 3.588 20 30 DHEDHN CC(C)(CCC#N)CN1CCC(C(=O)c2cccs2)CC1 ZINC000371421670 336903585 /nfs/dbraw/zinc/90/35/85/336903585.db2.gz YKLRCHNVAMNVDW-UHFFFAOYSA-N 0 3 304.459 3.973 20 30 DHEDHN C[C@H](NC[C@H]1OCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000371541623 336907548 /nfs/dbraw/zinc/90/75/48/336907548.db2.gz CYQDQRQTUFTKSL-MGPUTAFESA-N 0 3 322.408 3.554 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(F)(c2cccnc2)CC1 ZINC000375364253 337009270 /nfs/dbraw/zinc/00/92/70/337009270.db2.gz WUXHHRUWXZLBHB-HNNXBMFYSA-N 0 3 309.388 3.975 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN2Cc3ccccc3C3(CCC3)C2)cc1 ZINC000375685742 337016533 /nfs/dbraw/zinc/01/65/33/337016533.db2.gz ULCPNNNLKFPIIX-FQEVSTJZSA-N 0 3 318.420 3.529 20 30 DHEDHN CCCc1noc(-c2cccc(CN[C@@H]3CCC[C@@H](C#N)C3)c2)n1 ZINC000375721073 337017764 /nfs/dbraw/zinc/01/77/64/337017764.db2.gz URFQMOOJLKYHEA-RHSMWYFYSA-N 0 3 324.428 3.861 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H]2CCCc3cccnc32)cc1 ZINC000377246817 337049326 /nfs/dbraw/zinc/04/93/26/337049326.db2.gz WRGKWHUGLLMNCT-HNAYVOBHSA-N 0 3 321.424 3.882 20 30 DHEDHN C=CCN1CCC(NC(=O)C[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000172349835 337091643 /nfs/dbraw/zinc/09/16/43/337091643.db2.gz CWINLUAZRNACDL-MRXNPFEDSA-N 0 3 314.473 3.509 20 30 DHEDHN C=CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000175731959 337147178 /nfs/dbraw/zinc/14/71/78/337147178.db2.gz SKVMTBAFCJNUAE-PKOBYXMFSA-N 0 3 314.473 3.854 20 30 DHEDHN Cc1sc(NC(=O)CN(C)[C@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000177017647 337152822 /nfs/dbraw/zinc/15/28/22/337152822.db2.gz BPIHBASDWVXBKE-NHYWBVRUSA-N 0 3 319.474 3.686 20 30 DHEDHN C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000177824799 337157687 /nfs/dbraw/zinc/15/76/87/337157687.db2.gz RFSSOIOOPPMDMP-QRWLVFNGSA-N 0 3 319.408 3.580 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000178078144 337159706 /nfs/dbraw/zinc/15/97/06/337159706.db2.gz WHXKSZGLWLBDMA-QGZVFWFLSA-N 0 3 321.848 3.562 20 30 DHEDHN CC(C)N(CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000183036333 337191087 /nfs/dbraw/zinc/19/10/87/337191087.db2.gz KJISBTDBJHBQIL-UHFFFAOYSA-N 0 3 321.852 3.705 20 30 DHEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000185589914 337249335 /nfs/dbraw/zinc/24/93/35/337249335.db2.gz GBEBMDCRWLQETF-CRAIPNDOSA-N 0 3 323.440 3.858 20 30 DHEDHN C=CCN(CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000063494738 337281800 /nfs/dbraw/zinc/28/18/00/337281800.db2.gz YADONGVBCPZXJX-UHFFFAOYSA-N 0 3 319.408 3.575 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC1 ZINC000191303264 337295801 /nfs/dbraw/zinc/29/58/01/337295801.db2.gz BAACIRCMOFCZLR-SFHVURJKSA-N 0 3 312.457 3.686 20 30 DHEDHN N#Cc1ccc(CN(CCO)[C@@H]2CCCc3ccccc32)cc1F ZINC000192105129 337302864 /nfs/dbraw/zinc/30/28/64/337302864.db2.gz YJBWFTIDFXZHFT-HXUWFJFHSA-N 0 3 324.399 3.569 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(-n2cccn2)c1 ZINC000192157459 337303548 /nfs/dbraw/zinc/30/35/48/337303548.db2.gz AAYPQUHIXMSXER-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN C=CCCCCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000193315043 337309879 /nfs/dbraw/zinc/30/98/79/337309879.db2.gz UAGVHALKTXJVJQ-UHFFFAOYSA-N 0 3 306.475 3.642 20 30 DHEDHN CCCCCCCCCCN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000584650084 337380622 /nfs/dbraw/zinc/38/06/22/337380622.db2.gz VMDXIZMOOCYQSW-KRWDZBQOSA-N 0 3 311.514 3.863 20 30 DHEDHN CC[C@H](C)N[C@@H](CNc1ncc2c(c1C#N)CCC2)c1ccco1 ZINC000425257322 337444738 /nfs/dbraw/zinc/44/47/38/337444738.db2.gz TXZBUVAQAYWALM-GUYCJALGSA-N 0 3 324.428 3.576 20 30 DHEDHN COC1(C(F)(F)F)CCN(CCC2(C#N)CCCCC2)CC1 ZINC000419296179 337478645 /nfs/dbraw/zinc/47/86/45/337478645.db2.gz DDHSXLLRWVZMDG-UHFFFAOYSA-N 0 3 318.383 3.894 20 30 DHEDHN N#CCCCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000080023583 337648193 /nfs/dbraw/zinc/64/81/93/337648193.db2.gz NSAFNTBANVZTRK-UHFFFAOYSA-N 0 3 303.793 3.964 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(Nc2ccccn2)CC1 ZINC000527195509 337736677 /nfs/dbraw/zinc/73/66/77/337736677.db2.gz MEBRWLIPTSOCPD-OAHLLOKOSA-N 0 3 306.413 3.591 20 30 DHEDHN N#Cc1ccc(OCCNCc2ccc(C(F)F)cc2)cc1 ZINC000527231061 337739055 /nfs/dbraw/zinc/73/90/55/337739055.db2.gz TYLQLNGOUFMBCU-UHFFFAOYSA-N 0 3 302.324 3.664 20 30 DHEDHN N#CCSCCCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000533081288 337811318 /nfs/dbraw/zinc/81/13/18/337811318.db2.gz SIHRUUWCSYEJBV-UHFFFAOYSA-N 0 3 304.434 3.952 20 30 DHEDHN Cc1cccc([C@H](C)NCCC(=O)Nc2cccc(C#N)c2)c1C ZINC000537085349 337887693 /nfs/dbraw/zinc/88/76/93/337887693.db2.gz WCRQEVDOWGMHNZ-INIZCTEOSA-N 0 3 321.424 3.855 20 30 DHEDHN C[C@H](NC[C@H](C)N(C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537406169 337933471 /nfs/dbraw/zinc/93/34/71/337933471.db2.gz FBFRMOFSZRYMMQ-GJZGRUSLSA-N 0 3 311.404 3.873 20 30 DHEDHN Cc1cc(NC[C@@H](c2cccs2)N2CCCC2)cc(C#N)n1 ZINC000515686260 337995084 /nfs/dbraw/zinc/99/50/84/337995084.db2.gz PCCSMXRDUCKLQJ-INIZCTEOSA-N 0 3 312.442 3.572 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCN(c3ccccc3F)C1)CC2 ZINC000426301545 338025512 /nfs/dbraw/zinc/02/55/12/338025512.db2.gz NMRCCTWYVDSEFO-QFBILLFUSA-N 0 3 321.399 3.553 20 30 DHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@H]1OCCc2sccc21 ZINC000426341554 338027978 /nfs/dbraw/zinc/02/79/78/338027978.db2.gz CUWGCXYFUPOXGO-OYYNGEPBSA-N 0 3 324.449 3.899 20 30 DHEDHN CC[C@H](c1ccccc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428785193 338061039 /nfs/dbraw/zinc/06/10/39/338061039.db2.gz QFNZKODPQORDJW-ZWKOTPCHSA-N 0 3 307.397 3.558 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000428849280 338062186 /nfs/dbraw/zinc/06/21/86/338062186.db2.gz KWMQTAJGBLURBY-KRWDZBQOSA-N 0 3 302.462 3.883 20 30 DHEDHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428994874 338068280 /nfs/dbraw/zinc/06/82/80/338068280.db2.gz PYWPFMTZWUVKAU-NEWSRXKRSA-N 0 3 316.420 3.603 20 30 DHEDHN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCCCC#N ZINC000429161287 338072168 /nfs/dbraw/zinc/07/21/68/338072168.db2.gz JIKKPCAJZYZLIG-ZDUSSCGKSA-N 0 3 309.816 3.683 20 30 DHEDHN CC1(C)Cc2ccc(Br)cc2[C@H]1NCCCC#N ZINC000429278725 338075950 /nfs/dbraw/zinc/07/59/50/338075950.db2.gz RMYYLFDYRBQFJW-CQSZACIVSA-N 0 3 307.235 3.966 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000429862003 338091280 /nfs/dbraw/zinc/09/12/80/338091280.db2.gz CMKQZAYPWMOPBZ-QGZVFWFLSA-N 0 3 300.446 3.542 20 30 DHEDHN CC(C)c1ccc(NC(=O)C[C@@H](C)NCC2(CC#N)CC2)cc1 ZINC000430739292 338112922 /nfs/dbraw/zinc/11/29/22/338112922.db2.gz HNHDRELHGNXVIH-OAHLLOKOSA-N 0 3 313.445 3.811 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(CO)(c2ccccc2)CC1 ZINC000433070669 338180068 /nfs/dbraw/zinc/18/00/68/338180068.db2.gz HAYSHLNFJPIEDM-KRWDZBQOSA-N 0 3 320.436 3.645 20 30 DHEDHN CN(C)[C@@H]1CCOc2c(NCc3cccc(C#N)c3)cccc21 ZINC000433204153 338185665 /nfs/dbraw/zinc/18/56/65/338185665.db2.gz FDOZIBXDGAKGAW-GOSISDBHSA-N 0 3 307.397 3.556 20 30 DHEDHN CN(C)[C@@H]1CCOc2c(NCc3ccc(C#N)cc3)cccc21 ZINC000433206576 338185864 /nfs/dbraw/zinc/18/58/64/338185864.db2.gz OHWWXKHBQUKQAL-GOSISDBHSA-N 0 3 307.397 3.556 20 30 DHEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000434307212 338214198 /nfs/dbraw/zinc/21/41/98/338214198.db2.gz KZGZGXHRPMLECB-HUUCEWRRSA-N 0 3 308.381 3.602 20 30 DHEDHN C=CCOc1ccc(CN2CCSC(C)(C)CC2)cc1OC ZINC000435051358 338231006 /nfs/dbraw/zinc/23/10/06/338231006.db2.gz WVUVBCJESUYTEL-UHFFFAOYSA-N 0 3 321.486 3.978 20 30 DHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(Cl)c1OCC ZINC000435725213 338246300 /nfs/dbraw/zinc/24/63/00/338246300.db2.gz FSJDLILJBZTYBQ-GOEBONIOSA-N 0 3 309.837 3.810 20 30 DHEDHN CCN(C(=O)C(C)C#N)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000435949380 338253885 /nfs/dbraw/zinc/25/38/85/338253885.db2.gz RJHWZRXTOGRKAS-VXGBXAGGSA-N 0 3 312.335 3.645 20 30 DHEDHN COc1ccc(C#N)cc1CN(CCc1cccc(F)c1)C1CC1 ZINC000437548888 338313265 /nfs/dbraw/zinc/31/32/65/338313265.db2.gz TUMKKSFOAWQJBP-UHFFFAOYSA-N 0 3 324.399 3.913 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2ccccc2)[C@H]1C ZINC000438482015 338345464 /nfs/dbraw/zinc/34/54/64/338345464.db2.gz ZMTFFAUYCGILBH-BEFAXECRSA-N 0 3 306.409 3.945 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cc(CC)ccc2CC)CC1 ZINC000438763943 338351903 /nfs/dbraw/zinc/35/19/03/338351903.db2.gz CKRCJFZTPNQLIY-UHFFFAOYSA-N 0 3 315.461 3.583 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)cc1Cl)[C@@H]1COc2ccccc21 ZINC000439441372 338369711 /nfs/dbraw/zinc/36/97/11/338369711.db2.gz JLDRMTQJKQNWQA-WBMJQRKESA-N 0 3 312.800 3.866 20 30 DHEDHN C=CCOc1ccccc1CN1CCC([C@@H]2CCCO2)CC1 ZINC000439776302 338377658 /nfs/dbraw/zinc/37/76/58/338377658.db2.gz SHBNHVVEEPCCBR-SFHVURJKSA-N 0 3 301.430 3.642 20 30 DHEDHN COc1cc(CNC[C@@H]2SCCc3ccccc32)ccc1C#N ZINC000440616072 338392541 /nfs/dbraw/zinc/39/25/41/338392541.db2.gz RNYRFGNZJSCTSS-IBGZPJMESA-N 0 3 324.449 3.687 20 30 DHEDHN C=CCN1CCC(Nc2ncnc3sc4ccccc4c32)CC1 ZINC000440646681 338394095 /nfs/dbraw/zinc/39/40/95/338394095.db2.gz YUJXQMHHOPTBDN-UHFFFAOYSA-N 0 3 324.453 3.907 20 30 DHEDHN N#CC1CCC(CNCc2ccccc2Br)CC1 ZINC000441377102 338410998 /nfs/dbraw/zinc/41/09/98/338410998.db2.gz LUPYIEHVGFWPFG-UHFFFAOYSA-N 0 3 307.235 3.869 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Oc3cccc(F)c3)nc2)C1 ZINC000442781663 338430828 /nfs/dbraw/zinc/43/08/28/338430828.db2.gz NESHBVSVWHFIQG-CZUORRHYSA-N 0 3 311.360 3.795 20 30 DHEDHN Cc1cc(Br)cc(C)c1CN[C@H]1CC[C@H](C#N)C1 ZINC000442785386 338431097 /nfs/dbraw/zinc/43/10/97/338431097.db2.gz UASCRUYJTDPKRZ-JSGCOSHPSA-N 0 3 307.235 3.848 20 30 DHEDHN CC[C@H](NCCOCc1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000447585449 338559481 /nfs/dbraw/zinc/55/94/81/338559481.db2.gz IZSREGXYGUWVSL-FQEVSTJZSA-N 0 3 324.424 3.824 20 30 DHEDHN C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000449290683 338609913 /nfs/dbraw/zinc/60/99/13/338609913.db2.gz HDHDWGFCBNXHQH-CABCVRRESA-N 0 3 313.449 3.961 20 30 DHEDHN N#Cc1cccc(CCN[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000449304953 338611242 /nfs/dbraw/zinc/61/12/42/338611242.db2.gz QMXSUMWAAJMDMN-OAHLLOKOSA-N 0 3 316.326 3.795 20 30 DHEDHN CC[C@H](C)[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)OC ZINC000449400773 338620919 /nfs/dbraw/zinc/62/09/19/338620919.db2.gz CYRBNLZDOFJVCN-XHDPSFHLSA-N 0 3 314.351 3.728 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)c(F)c1 ZINC000449630857 338643002 /nfs/dbraw/zinc/64/30/02/338643002.db2.gz VWRRDUWXUFVJOD-GDBMZVCRSA-N 0 3 316.401 3.769 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CCCC1 ZINC000451678871 338741746 /nfs/dbraw/zinc/74/17/46/338741746.db2.gz XNGOBPLVLLODRH-JKSUJKDBSA-N 0 3 318.461 3.962 20 30 DHEDHN CC(C)OCCOC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000451954951 338749044 /nfs/dbraw/zinc/74/90/44/338749044.db2.gz YTFKGLHACRHSPC-MRXNPFEDSA-N 0 3 316.445 3.525 20 30 DHEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453159689 338801029 /nfs/dbraw/zinc/80/10/29/338801029.db2.gz FIFUXHJMYWKBBH-JKSUJKDBSA-N 0 3 312.413 3.709 20 30 DHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000453379573 338835039 /nfs/dbraw/zinc/83/50/39/338835039.db2.gz YWXZWFVODBSTPP-ZFWWWQNUSA-N 0 3 303.402 3.809 20 30 DHEDHN C=CCC[C@H](N[C@@H]1CCO[C@@H](c2nccn2C)C1)c1ccco1 ZINC000453403366 338838972 /nfs/dbraw/zinc/83/89/72/338838972.db2.gz QMQQDJFEZBYEBV-HLLBOEOZSA-N 0 3 315.417 3.530 20 30 DHEDHN CCO[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)[C@H]1SC ZINC000459446713 339029659 /nfs/dbraw/zinc/02/96/59/339029659.db2.gz JGLDFTXCXCKZRZ-MWDXBVQZSA-N 0 3 304.459 3.530 20 30 DHEDHN CCO[C@@H]1C[C@@H](NCC2(CC#N)CC2)[C@H]1Sc1ccccc1 ZINC000459508357 339033142 /nfs/dbraw/zinc/03/31/42/339033142.db2.gz JFERRAFVOZMJQS-BRWVUGGUSA-N 0 3 316.470 3.608 20 30 DHEDHN CCOc1cc(C[NH2+]CC(C)(C)CCC#N)cc(Cl)c1[O-] ZINC000459560253 339035728 /nfs/dbraw/zinc/03/57/28/339035728.db2.gz LOPXTAGVBYVJHI-UHFFFAOYSA-N 0 3 310.825 3.864 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459595589 339037898 /nfs/dbraw/zinc/03/78/98/339037898.db2.gz XDQXQVZURONVAK-KUHUBIRLSA-N 0 3 314.429 3.673 20 30 DHEDHN COc1ccc(C)cc1[C@@H](C)NCCOc1ccccc1C#N ZINC000459671990 339042198 /nfs/dbraw/zinc/04/21/98/339042198.db2.gz XFBRZJVSJQOOJI-OAHLLOKOSA-N 0 3 310.397 3.605 20 30 DHEDHN CCOc1cccc(CNCC(C)(C)CC#N)c1OC(F)F ZINC000459683681 339042999 /nfs/dbraw/zinc/04/29/99/339042999.db2.gz CMOVDYZNPHAAFE-UHFFFAOYSA-N 0 3 312.360 3.716 20 30 DHEDHN CC(C)(C)OC(=O)c1cccc(CNCC(C)(C)CC#N)c1 ZINC000459728175 339044772 /nfs/dbraw/zinc/04/47/72/339044772.db2.gz IDSAKBUVDYYCIF-UHFFFAOYSA-N 0 3 302.418 3.671 20 30 DHEDHN CC(C)(CC#N)CNCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000459729662 339044784 /nfs/dbraw/zinc/04/47/84/339044784.db2.gz KPRLSXHUQMJPOA-UHFFFAOYSA-N 0 3 318.314 3.796 20 30 DHEDHN CC[C@H]1CN(c2ccccc2)CCN1Cc1ccc(CC#N)cc1 ZINC000461369732 339062599 /nfs/dbraw/zinc/06/25/99/339062599.db2.gz IABZUEMABNWDRK-FQEVSTJZSA-N 0 3 319.452 3.853 20 30 DHEDHN CC#CCCN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000462321641 339075834 /nfs/dbraw/zinc/07/58/34/339075834.db2.gz VYSOFLAPCXOEPJ-UHFFFAOYSA-N 0 3 300.229 3.591 20 30 DHEDHN C=CCOc1cccc(CNC[C@H](C)Oc2ccc(F)cc2)c1 ZINC000462739276 339086104 /nfs/dbraw/zinc/08/61/04/339086104.db2.gz NXVMCTUPHDADJY-HNNXBMFYSA-N 0 3 315.388 3.948 20 30 DHEDHN CC(C)O[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000462847414 339094189 /nfs/dbraw/zinc/09/41/89/339094189.db2.gz XDFFLBQDOHQXLQ-JCURWCKSSA-N 0 3 304.409 3.940 20 30 DHEDHN CC(C)N(CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000463232751 339110793 /nfs/dbraw/zinc/11/07/93/339110793.db2.gz IRSRUXYDFZYFRQ-MRXNPFEDSA-N 0 3 311.347 3.556 20 30 DHEDHN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)(C)C ZINC000463372072 339116034 /nfs/dbraw/zinc/11/60/34/339116034.db2.gz ZAKDSCGQTOYJMZ-UHFFFAOYSA-N 0 3 307.825 3.518 20 30 DHEDHN C=CCN(CC=C)CCOc1ccc(OC(F)(F)F)cc1 ZINC000466743141 339215395 /nfs/dbraw/zinc/21/53/95/339215395.db2.gz LKACXMBECAAOKG-UHFFFAOYSA-N 0 3 301.308 3.638 20 30 DHEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccc2ccccc2n1 ZINC000467433541 339238280 /nfs/dbraw/zinc/23/82/80/339238280.db2.gz QTDYTVRZTQVJPX-HNNXBMFYSA-N 0 3 301.393 4.000 20 30 DHEDHN C[C@@H](NC[C@H](CO)CC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000467442701 339238858 /nfs/dbraw/zinc/23/88/58/339238858.db2.gz HTKNXXAPESDSME-UKRRQHHQSA-N 0 3 304.409 3.537 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000467890159 339248716 /nfs/dbraw/zinc/24/87/16/339248716.db2.gz OOVCWDHWXSQEIK-PMACEKPBSA-N 0 3 314.473 3.760 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000468000372 339250914 /nfs/dbraw/zinc/25/09/14/339250914.db2.gz NNFRDLMTMDQZST-AZUAARDMSA-N 0 3 314.473 3.712 20 30 DHEDHN CCCN(Cc1cc(F)ccc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000469280024 339284942 /nfs/dbraw/zinc/28/49/42/339284942.db2.gz XVPGIXWGDPLSID-RCCFBDPRSA-N 0 3 316.420 3.723 20 30 DHEDHN C=CCCCC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000469751857 339297631 /nfs/dbraw/zinc/29/76/31/339297631.db2.gz KSBLXDPRTVMOCL-SFHVURJKSA-N 0 3 302.462 3.616 20 30 DHEDHN C=CCCCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000471676004 339350706 /nfs/dbraw/zinc/35/07/06/339350706.db2.gz ALBBOIXDTGGPFS-UHFFFAOYSA-N 0 3 300.446 3.759 20 30 DHEDHN C=CCCCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000472076881 339362795 /nfs/dbraw/zinc/36/27/95/339362795.db2.gz WHQZXSNNOZLROR-UHFFFAOYSA-N 0 3 300.305 3.642 20 30 DHEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1OCCC(C)C ZINC000472142485 339364129 /nfs/dbraw/zinc/36/41/29/339364129.db2.gz PKFYHMZHIGQGMJ-DOTOQJQBSA-N 0 3 316.445 3.902 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000472152776 339364463 /nfs/dbraw/zinc/36/44/63/339364463.db2.gz HYWNAIPOTXRRQY-SKDRFNHKSA-N 0 3 300.736 3.723 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)CCC1 ZINC000478570357 339518100 /nfs/dbraw/zinc/51/81/00/339518100.db2.gz SBZHPQDNCSLUSM-SFHVURJKSA-N 0 3 314.473 3.932 20 30 DHEDHN CC1(C)CCCC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481189995 339597957 /nfs/dbraw/zinc/59/79/57/339597957.db2.gz NWKLWLWFROYGGK-HNNXBMFYSA-N 0 3 319.836 3.709 20 30 DHEDHN Cc1cc(CNC2(c3ccc(F)cc3)CCOCC2)ccc1C#N ZINC000486812766 339735675 /nfs/dbraw/zinc/73/56/75/339735675.db2.gz BBIYQYRYHHCKMO-UHFFFAOYSA-N 0 3 324.399 3.801 20 30 DHEDHN C=CC(C)(C)CNCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000496543851 340007551 /nfs/dbraw/zinc/00/75/51/340007551.db2.gz BGDPQAQECGQQAM-UHFFFAOYSA-N 0 3 311.451 3.792 20 30 DHEDHN CC#CCCNCc1ccc(OC)c(OCc2ccccc2)c1 ZINC000499207789 340032423 /nfs/dbraw/zinc/03/24/23/340032423.db2.gz AGZBRJVJYVGRSU-UHFFFAOYSA-N 0 3 309.409 3.777 20 30 DHEDHN CC#CCCNCc1cc2ccccc2nc1N1CCCCC1 ZINC000499210471 340032547 /nfs/dbraw/zinc/03/25/47/340032547.db2.gz GKGICPVMRHQCAK-UHFFFAOYSA-N 0 3 307.441 3.728 20 30 DHEDHN C=CCN1CC[C@@H](N[C@H](c2cccs2)C(CC)CC)C1=O ZINC000499602098 340040614 /nfs/dbraw/zinc/04/06/14/340040614.db2.gz JIFMQEGGPHNOIK-ZBFHGGJFSA-N 0 3 306.475 3.602 20 30 DHEDHN C=CCCCCCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503261268 340124273 /nfs/dbraw/zinc/12/42/73/340124273.db2.gz HTEFMUJZUDEFBK-IBGZPJMESA-N 0 3 310.441 3.926 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccccc1-c1ccnn1C ZINC000507187983 340211954 /nfs/dbraw/zinc/21/19/54/340211954.db2.gz DWJQBADVLIJLBL-UHFFFAOYSA-N 0 3 316.408 3.591 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](c2ccccc2C)C1 ZINC000507206435 340213117 /nfs/dbraw/zinc/21/31/17/340213117.db2.gz OEFMPCAMDCIBKF-MSOLQXFVSA-N 0 3 314.473 3.597 20 30 DHEDHN N#Cc1ccccc1N1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000507280491 340216529 /nfs/dbraw/zinc/21/65/29/340216529.db2.gz QUZWZJQNAVDHEG-NRFANRHFSA-N 0 3 317.436 3.758 20 30 DHEDHN CC(C)CN(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000507784458 340231336 /nfs/dbraw/zinc/23/13/36/340231336.db2.gz LQQCSALJZXGZEM-UHFFFAOYSA-N 0 3 318.424 3.864 20 30 DHEDHN C=CCN(Cc1ccc2c(c1)oc(=O)n2C)CC1CCCCC1 ZINC000508552734 340246371 /nfs/dbraw/zinc/24/63/71/340246371.db2.gz ORTLYIHRVIAVQW-UHFFFAOYSA-N 0 3 314.429 3.700 20 30 DHEDHN CC(C#N)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000510389297 340297703 /nfs/dbraw/zinc/29/77/03/340297703.db2.gz PBKHZKHYJCAUJV-HZMBPMFUSA-N 0 3 304.802 3.767 20 30 DHEDHN C=CCCC1(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000510546531 340302280 /nfs/dbraw/zinc/30/22/80/340302280.db2.gz IUHJDOCNTJENRH-SJLPKXTDSA-N 0 3 314.473 3.849 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510547467 340302512 /nfs/dbraw/zinc/30/25/12/340302512.db2.gz KKLMMLGMOZPCHV-QFBILLFUSA-N 0 3 314.473 3.871 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc2c(c1)CCO2 ZINC000510647838 340304849 /nfs/dbraw/zinc/30/48/49/340304849.db2.gz UHVZEAVQEFLGQW-UHFFFAOYSA-N 0 3 309.409 3.818 20 30 DHEDHN N#Cc1csc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000511480077 340328137 /nfs/dbraw/zinc/32/81/37/340328137.db2.gz SUMNFBOBBDAJOR-MRXNPFEDSA-N 0 3 300.402 3.966 20 30 DHEDHN C[C@H](NCCOc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000511687888 340335396 /nfs/dbraw/zinc/33/53/96/340335396.db2.gz GFEKGFUBZLLBLG-ZDUSSCGKSA-N 0 3 300.789 3.941 20 30 DHEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(C#N)cc1F ZINC000512296986 340356157 /nfs/dbraw/zinc/35/61/57/340356157.db2.gz UQOVFZYSSIBKMZ-XFHKCVFHSA-N 0 3 314.404 3.696 20 30 DHEDHN COc1ccccc1C[C@H]1CCCN1Cc1cccc(C#N)c1F ZINC000512405352 340360711 /nfs/dbraw/zinc/36/07/11/340360711.db2.gz YTAKTVDRZOINQS-GOSISDBHSA-N 0 3 324.399 3.913 20 30 DHEDHN C[C@H](c1ccc(F)c(F)c1)N(C)CCOc1ccc(C#N)cc1 ZINC000512448968 340362303 /nfs/dbraw/zinc/36/23/03/340362303.db2.gz AECLCULMHLARBN-CYBMUJFWSA-N 0 3 316.351 3.908 20 30 DHEDHN CC(C)(CNCc1ccc(C#N)s1)Oc1cc(F)cc(F)c1 ZINC000512569946 340367387 /nfs/dbraw/zinc/36/73/87/340367387.db2.gz SDBRLMQSNFYEFW-UHFFFAOYSA-N 0 3 322.380 3.845 20 30 DHEDHN C[C@H](NC[C@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1F ZINC000512655378 340371221 /nfs/dbraw/zinc/37/12/21/340371221.db2.gz UBDJNWQLEAQKLX-IFXJQAMLSA-N 0 3 311.404 3.651 20 30 DHEDHN CCOc1ccccc1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000512671062 340372358 /nfs/dbraw/zinc/37/23/58/340372358.db2.gz DMSOJSVOMJINND-CQSZACIVSA-N 0 3 312.388 3.989 20 30 DHEDHN C=C(C)CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000174830938 340396896 /nfs/dbraw/zinc/39/68/96/340396896.db2.gz SYQDSMNAHBIIGL-UHFFFAOYSA-N 0 3 310.235 3.621 20 30 DHEDHN CO[C@H](C)CN(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000513255990 340399635 /nfs/dbraw/zinc/39/96/35/340399635.db2.gz JVQJVYPAEOGOPH-GOSISDBHSA-N 0 3 322.452 3.853 20 30 DHEDHN C=CCCCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000517185312 340465151 /nfs/dbraw/zinc/46/51/51/340465151.db2.gz RIFWLXAEGZEIFO-UHFFFAOYSA-N 0 3 308.853 3.623 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000185041283 340497520 /nfs/dbraw/zinc/49/75/20/340497520.db2.gz CAPCYOLLVOIPGV-FUHWJXTLSA-N 0 3 300.446 3.542 20 30 DHEDHN N#Cc1ccc(CNC[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186434472 340512670 /nfs/dbraw/zinc/51/26/70/340512670.db2.gz ZBMVCNIEJBJECZ-INIZCTEOSA-N 0 3 304.315 3.994 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cc3cscc3s2)CC1 ZINC000528451289 340719687 /nfs/dbraw/zinc/71/96/87/340719687.db2.gz WTYSYBIBXLNIFA-UHFFFAOYSA-N 0 3 320.483 3.733 20 30 DHEDHN C=CCCC[C@@H](C)N1CCN(c2ncnc3sccc32)CC1 ZINC000538146639 340811238 /nfs/dbraw/zinc/81/12/38/340811238.db2.gz AVYOVXSZPMYLPH-CQSZACIVSA-N 0 3 316.474 3.558 20 30 DHEDHN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCCOc1ccc(C#N)cc1 ZINC000540187998 340922152 /nfs/dbraw/zinc/92/21/52/340922152.db2.gz IKVMRZGUTCHZLR-ORAYPTAESA-N 0 3 310.372 3.599 20 30 DHEDHN C[C@@H](NCC#Cc1ccccc1Cl)[C@H]1COc2ccccc21 ZINC000541698505 340980578 /nfs/dbraw/zinc/98/05/78/340980578.db2.gz YUBUUHURKXOMSF-RHSMWYFYSA-N 0 3 311.812 3.846 20 30 DHEDHN C=CCSCCN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000541897424 340987995 /nfs/dbraw/zinc/98/79/95/340987995.db2.gz MQYSPPFDYOQTLE-JTQLQIEISA-N 0 3 305.365 3.997 20 30 DHEDHN C=CC[C@H](CC)NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000542084099 340994900 /nfs/dbraw/zinc/99/49/00/340994900.db2.gz BBFUXKDCXOGYND-WBVHZDCISA-N 0 3 317.477 3.770 20 30 DHEDHN N#CCC1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000542883347 341025277 /nfs/dbraw/zinc/02/52/77/341025277.db2.gz RSZNBMBYCLOHLM-UHFFFAOYSA-N 0 3 321.424 3.786 20 30 DHEDHN C=C(C)COc1cc(CN(C)[C@@H]2CCSC2)ccc1OC ZINC000130639096 341035691 /nfs/dbraw/zinc/03/56/91/341035691.db2.gz XGFAPVGMRCKFAN-OAHLLOKOSA-N 0 3 307.459 3.587 20 30 DHEDHN N#CCc1ccc(CNC2(c3ccccc3)CCOCC2)cc1 ZINC000544070752 341069211 /nfs/dbraw/zinc/06/92/11/341069211.db2.gz MHMRZLRSMZURKP-UHFFFAOYSA-N 0 3 306.409 3.548 20 30 DHEDHN N#CC(C(=O)c1ccccc1OC1CCCCC1)c1ccncn1 ZINC000544816333 341094750 /nfs/dbraw/zinc/09/47/50/341094750.db2.gz NINDXTASLVOHSL-INIZCTEOSA-N 0 3 321.380 3.678 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2cccc(C3CCC3)c2)nc(C)n1 ZINC000545266036 341118263 /nfs/dbraw/zinc/11/82/63/341118263.db2.gz DOSFKBVYTKCUQQ-KRWDZBQOSA-N 0 3 305.381 3.851 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000079502351 341260251 /nfs/dbraw/zinc/26/02/51/341260251.db2.gz ADMLYZQUQRUIAX-NRFANRHFSA-N 0 3 320.436 3.782 20 30 DHEDHN N#CC1(CNCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000549410592 341293855 /nfs/dbraw/zinc/29/38/55/341293855.db2.gz CPLHRDQFLZJLDJ-UHFFFAOYSA-N 0 3 312.363 3.990 20 30 DHEDHN C=CCOCCN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000549507498 341295882 /nfs/dbraw/zinc/29/58/82/341295882.db2.gz GMLZSAWOHNDJML-AWEZNQCLSA-N 0 3 302.443 3.678 20 30 DHEDHN CCc1ccc([C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000564381053 341348092 /nfs/dbraw/zinc/34/80/92/341348092.db2.gz QCZZJLMKOIHFCT-LJQANCHMSA-N 0 3 307.441 3.839 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)C1 ZINC000248703028 341384669 /nfs/dbraw/zinc/38/46/69/341384669.db2.gz ALIURZOVKADWSF-VJUNAUMWSA-N 0 3 304.821 3.842 20 30 DHEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@@H]1CCc2ccc(C#N)cc21 ZINC000555002486 341472511 /nfs/dbraw/zinc/47/25/11/341472511.db2.gz GOVWIAFGEPFWBP-MOPGFXCFSA-N 0 3 322.383 3.970 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)[C@H]1CCOC1)CC2 ZINC000564759553 341508672 /nfs/dbraw/zinc/50/86/72/341508672.db2.gz BFNJGSVZIBODLS-TYPHKJRUSA-N 0 3 318.420 3.913 20 30 DHEDHN CC(=O)Nc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000567501510 341610699 /nfs/dbraw/zinc/61/06/99/341610699.db2.gz XZHPWTVPRSTEBX-AWEZNQCLSA-N 0 3 307.397 3.562 20 30 DHEDHN CN(C)[C@H](CNCc1cc(C#N)cs1)c1ccccc1Cl ZINC000177680853 341923623 /nfs/dbraw/zinc/92/36/23/341923623.db2.gz YAGLHOGGLKQKBG-MRXNPFEDSA-N 0 3 319.861 3.666 20 30 DHEDHN Cc1cc(CN2CCSCC2)ccc1N[C@H]1CC[C@@H](C#N)C1 ZINC000442859904 518187108 /nfs/dbraw/zinc/18/71/08/518187108.db2.gz VVBPSIPHUWVSEY-WBVHZDCISA-N 0 3 315.486 3.648 20 30 DHEDHN CCOC(=O)C1CCC(N(CC)Cc2ccccc2C#N)CC1 ZINC000338365694 520549119 /nfs/dbraw/zinc/54/91/19/520549119.db2.gz GXJZNECFEKWFTN-UHFFFAOYSA-N 0 3 314.429 3.502 20 30 DHEDHN CCN(CC)[C@H](CNc1snc(Cl)c1C#N)c1ccco1 ZINC000264692345 520868343 /nfs/dbraw/zinc/86/83/43/520868343.db2.gz NWDOEDGWOREULJ-LLVKDONJSA-N 0 3 324.837 3.756 20 30 DHEDHN CC1CCC(N(CC(=O)Nc2cccc(C#N)c2)C2CC2)CC1 ZINC000339214978 520937403 /nfs/dbraw/zinc/93/74/03/520937403.db2.gz IHMRNEPWYBRSHI-UHFFFAOYSA-N 0 3 311.429 3.540 20 30 DHEDHN CN(C)C[C@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000338475805 521857931 /nfs/dbraw/zinc/85/79/31/521857931.db2.gz XTTKQTGBPWEYQN-INIZCTEOSA-N 0 3 319.861 3.666 20 30 DHEDHN CC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000126952953 522863445 /nfs/dbraw/zinc/86/34/45/522863445.db2.gz MMPPEDJLJCJRBH-MSOLQXFVSA-N 0 3 314.816 3.986 20 30 DHEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NCc1ccc(C#N)o1 ZINC000237498283 524690648 /nfs/dbraw/zinc/69/06/48/524690648.db2.gz SDWJHSOXPLQMIR-LLVKDONJSA-N 0 3 308.303 3.891 20 30 DHEDHN COc1ccccc1[C@@H](CC(C)C)NCc1cc(C#N)n(C)c1 ZINC000191265167 524729581 /nfs/dbraw/zinc/72/95/81/524729581.db2.gz SONGEUJNNPTRTQ-GOSISDBHSA-N 0 3 311.429 3.782 20 30 DHEDHN C[C@@H](NC[C@](C)(O)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000157607397 525508240 /nfs/dbraw/zinc/50/82/40/525508240.db2.gz OORONLXYSIOCHY-ACJLOTCBSA-N 0 3 314.816 3.770 20 30 DHEDHN C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1CO)c1ccc(C#N)s1 ZINC000365092872 525592627 /nfs/dbraw/zinc/59/26/27/525592627.db2.gz JEBPKWVFPBGQJQ-WRSAYESZSA-N 0 3 312.438 3.566 20 30 DHEDHN C[C@H](N[C@H]1c2ccccc2CC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000365104296 525638767 /nfs/dbraw/zinc/63/87/67/525638767.db2.gz HSOSXNYQSPLTBH-BOUXLOLZSA-N 0 3 306.409 3.505 20 30 DHEDHN N#Cc1ccc(-c2cnc(CN3C[C@@H]4CCCC[C@@H]4C3)o2)cc1 ZINC000364227895 526582480 /nfs/dbraw/zinc/58/24/80/526582480.db2.gz BROAEOHIQIUNDO-CALCHBBNSA-N 0 3 307.397 3.835 20 30 DHEDHN C=C(C)C[NH2+][C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823878280 946498834 /nfs/dbraw/zinc/49/88/34/946498834.db2.gz USLUZYYSWDACLD-CQSZACIVSA-N 0 3 319.412 3.760 20 30 DHEDHN C=C(C)C[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823878280 946498840 /nfs/dbraw/zinc/49/88/40/946498840.db2.gz USLUZYYSWDACLD-CQSZACIVSA-N 0 3 319.412 3.760 20 30 DHEDHN CC(C)(CO)[C@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000519234476 1013296056 /nfs/dbraw/zinc/29/60/56/1013296056.db2.gz AZEPHBAIGYGFPT-LJQANCHMSA-N 0 3 308.425 3.602 20 30 DHEDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(C)cc1 ZINC000340155011 1013369567 /nfs/dbraw/zinc/36/95/67/1013369567.db2.gz NUKYXRKGNZVLKJ-KXBFYZLASA-N 0 3 321.424 3.935 20 30 DHEDHN N#Cc1csc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000120851248 1013528604 /nfs/dbraw/zinc/52/86/04/1013528604.db2.gz CYOGWRFTKILPIA-KSSFIOAISA-N 0 3 312.438 3.877 20 30 DHEDHN C#C[C@H](NC1CCSCC1)c1ccc(Br)cc1 ZINC000894871498 1013574608 /nfs/dbraw/zinc/57/46/08/1013574608.db2.gz WFLNIKRCUUSMAL-AWEZNQCLSA-N 0 3 310.260 3.609 20 30 DHEDHN C#Cc1ccc(CNCc2ccc3c(c2)COC(C)(C)O3)cc1 ZINC000894873361 1013575182 /nfs/dbraw/zinc/57/51/82/1013575182.db2.gz LJAKDDCNDHJOIO-UHFFFAOYSA-N 0 3 307.393 3.603 20 30 DHEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000467838375 1013575410 /nfs/dbraw/zinc/57/54/10/1013575410.db2.gz HNRORBUWSRVGTG-UHFFFAOYSA-N 0 3 314.473 3.654 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@]3(CCCc4ccccc43)C2)nc1 ZINC000519769123 1013600752 /nfs/dbraw/zinc/60/07/52/1013600752.db2.gz YPZLEBDJWJOPPF-NRFANRHFSA-N 0 3 317.436 3.823 20 30 DHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415582099 1013603660 /nfs/dbraw/zinc/60/36/60/1013603660.db2.gz OLFRUOVXQLGUTH-GJZGRUSLSA-N 0 3 315.461 3.753 20 30 DHEDHN Cc1noc(C)c1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000328697431 1013792398 /nfs/dbraw/zinc/79/23/98/1013792398.db2.gz HEBLAXXIDGEWEC-UHFFFAOYSA-N 0 3 319.449 3.642 20 30 DHEDHN Cc1cccc(C)c1NC(=O)CN[C@@H]1CCC(=O)NC12CCC2 ZINC000328707766 1013794237 /nfs/dbraw/zinc/79/42/37/1013794237.db2.gz QECDBDZSDZEFIY-CQSZACIVSA-N 0 3 315.417 3.523 20 30 DHEDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(C(C)(C)C)on1 ZINC000330881374 1013843030 /nfs/dbraw/zinc/84/30/30/1013843030.db2.gz AADBXODXMOGUSB-ZDUSSCGKSA-N 0 3 307.438 3.541 20 30 DHEDHN CC(C)(CCC#N)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255152301 1014048710 /nfs/dbraw/zinc/04/87/10/1014048710.db2.gz MKPNHYUYBLKHSX-POHAHGRESA-N 0 3 311.473 3.647 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(F)cc2F)n1 ZINC000155760644 1014173455 /nfs/dbraw/zinc/17/34/55/1014173455.db2.gz RQGHAHZKFDLDHH-JTQLQIEISA-N 0 3 321.352 3.791 20 30 DHEDHN C=CCN1CCC(NC(=O)NC2CCC(CCCC)CC2)CC1 ZINC000521239357 1014672942 /nfs/dbraw/zinc/67/29/42/1014672942.db2.gz IOPKPMWZHPWSQP-UHFFFAOYSA-N 0 3 321.509 3.685 20 30 DHEDHN N#CCc1cccc2c1CCN(C[C@@H]1CCCC3(CCC3)O1)C2 ZINC000931332998 1032100998 /nfs/dbraw/zinc/10/09/98/1032100998.db2.gz PZWXTULALYUWSU-SFHVURJKSA-N 0 3 310.441 3.603 20 30 DHEDHN CC(C)C[C@H](C)Oc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccn1 ZINC000442783625 1014731605 /nfs/dbraw/zinc/73/16/05/1014731605.db2.gz RQYAXAFLKAFERN-ZMSDIMECSA-N 0 3 301.434 3.677 20 30 DHEDHN COc1ccc(CN(Cc2ccc(C#N)c(OC)c2)C2CC2)cc1 ZINC000442813957 1014741536 /nfs/dbraw/zinc/74/15/36/1014741536.db2.gz SOSLGBWZZKTUKL-UHFFFAOYSA-N 0 3 322.408 3.740 20 30 DHEDHN Cc1ccc(CN2CCSCC2)cc1N[C@@H]1CC[C@H](C#N)C1 ZINC000442864357 1014750813 /nfs/dbraw/zinc/75/08/13/1014750813.db2.gz GGSIRWSPTROQOT-DOTOQJQBSA-N 0 3 315.486 3.648 20 30 DHEDHN N#C[C@H]1CC[C@H](NC2(c3cccc(Br)c3)CC2)C1 ZINC000442864627 1014752239 /nfs/dbraw/zinc/75/22/39/1014752239.db2.gz RXUWQFXWIDCPKX-FZMZJTMJSA-N 0 3 305.219 3.720 20 30 DHEDHN COc1cc(CN2CCC(n3c(C)ccc3C)CC2)ccc1C#N ZINC000442882200 1014761052 /nfs/dbraw/zinc/76/10/52/1014761052.db2.gz PYGJBJUOQJBUQI-UHFFFAOYSA-N 0 3 323.440 3.822 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@@H](OC)C[C@H]2C)ccc1OC ZINC000443071427 1014800725 /nfs/dbraw/zinc/80/07/25/1014800725.db2.gz SMJJCUYQYFIIPI-NVXWUHKLSA-N 0 3 319.445 3.649 20 30 DHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CCC1 ZINC000933302800 1014980595 /nfs/dbraw/zinc/98/05/95/1014980595.db2.gz IDLSIBIRDNSDDY-LBPRGKRZSA-N 0 3 324.346 3.568 20 30 DHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2c(CC)cccc2CC)CCC1 ZINC000933304183 1014987993 /nfs/dbraw/zinc/98/79/93/1014987993.db2.gz YYXJTTYAOLQPPD-HNNXBMFYSA-N 0 3 312.457 3.674 20 30 DHEDHN C=CCOc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000656791429 1015159503 /nfs/dbraw/zinc/15/95/03/1015159503.db2.gz GJCXYLXWITZYGB-HXUWFJFHSA-N 0 3 324.424 3.524 20 30 DHEDHN C#CCC1(O)CCN(Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000895675017 1015252798 /nfs/dbraw/zinc/25/27/98/1015252798.db2.gz JMFWRKPFVSSKQA-UHFFFAOYSA-N 0 3 309.409 3.605 20 30 DHEDHN CSc1ccc(CNCc2cccc3c2NCCC3)cc1C#N ZINC000895776950 1015299549 /nfs/dbraw/zinc/29/95/49/1015299549.db2.gz LYHPGQSMDBDSRH-UHFFFAOYSA-N 0 3 323.465 3.928 20 30 DHEDHN CC(C)c1cc([C@@H]2CCCN(Cc3csc(C#N)c3)C2)n[nH]1 ZINC000895927477 1015365429 /nfs/dbraw/zinc/36/54/29/1015365429.db2.gz LBXJRVJAVBYOAI-CQSZACIVSA-N 0 3 314.458 3.846 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(Cl)nc2)cc1 ZINC000178247646 1015519923 /nfs/dbraw/zinc/51/99/23/1015519923.db2.gz SIAPGBVKJXGXCU-ZDUSSCGKSA-N 0 3 300.789 3.598 20 30 DHEDHN COc1nc2ccc(NC(=O)C34CCCN3CCC4)cc2s1 ZINC000329098493 1015639845 /nfs/dbraw/zinc/63/98/45/1015639845.db2.gz LYKGLWHDLTZZNX-UHFFFAOYSA-N 0 3 317.414 3.521 20 30 DHEDHN CN(C)c1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341658075 1015643917 /nfs/dbraw/zinc/64/39/17/1015643917.db2.gz MRTYIZZBJQWBEU-LJQANCHMSA-N 0 3 305.425 3.791 20 30 DHEDHN C=CC[C@@H](CO)CN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000341890295 1015814115 /nfs/dbraw/zinc/81/41/15/1015814115.db2.gz UKWUYSGVCXHYJP-UONOGXRCSA-N 0 3 302.443 3.645 20 30 DHEDHN C=CCN1CCC(NC(=O)/C=C(\C)c2cccc(Cl)c2)CC1 ZINC000176285661 1015958445 /nfs/dbraw/zinc/95/84/45/1015958445.db2.gz NVJMTFSPSKYWSL-WYMLVPIESA-N 0 3 318.848 3.510 20 30 DHEDHN N#Cc1cc(CN(C2CC2)[C@H]2CCCc3ccccc32)ccn1 ZINC000610993114 1016004755 /nfs/dbraw/zinc/00/47/55/1016004755.db2.gz DBAUPPNSMAPARN-FQEVSTJZSA-N 0 3 303.409 3.995 20 30 DHEDHN CCO[C@H]1C[C@H](N(C)Cc2ccnc(C#N)c2)C12CCCCC2 ZINC000610994032 1016005385 /nfs/dbraw/zinc/00/53/85/1016005385.db2.gz RPADLBKOBASKLH-ROUUACIJSA-N 0 3 313.445 3.513 20 30 DHEDHN C=CCCn1cc(CN[C@H](C)CC(C)(C)c2ccccc2)nn1 ZINC000657332965 1016358449 /nfs/dbraw/zinc/35/84/49/1016358449.db2.gz SCCBYPFVADCFJZ-MRXNPFEDSA-N 0 3 312.461 3.700 20 30 DHEDHN C=CCCn1cc(CNCCCc2ccc(C(C)C)cc2)nn1 ZINC000657363141 1016461588 /nfs/dbraw/zinc/46/15/88/1016461588.db2.gz GWMYOJIKQQIILC-UHFFFAOYSA-N 0 3 312.461 3.700 20 30 DHEDHN CC(C)N(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 ZINC000072600888 1016670124 /nfs/dbraw/zinc/67/01/24/1016670124.db2.gz NKVRBMHRGODTKK-UHFFFAOYSA-N 0 3 310.401 3.761 20 30 DHEDHN C=CCN1CCC(NC(=O)c2cc3cc(C)ccc3s2)CC1 ZINC000582390722 1016685810 /nfs/dbraw/zinc/68/58/10/1016685810.db2.gz WNVPBGDLQODGHW-UHFFFAOYSA-N 0 3 314.454 3.590 20 30 DHEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCSC3(CCC3)C2)c1 ZINC000896952714 1016957557 /nfs/dbraw/zinc/95/75/57/1016957557.db2.gz ZSQSFTBBXBWRSA-ZDUSSCGKSA-N 0 3 307.850 3.515 20 30 DHEDHN C=CCCn1cc(CNC[C@H]2CCCC[C@H]2c2ccccc2)nn1 ZINC000657484638 1017008231 /nfs/dbraw/zinc/00/82/31/1017008231.db2.gz GQXMEKPSEUQZPT-QUCCMNQESA-N 0 3 324.472 3.918 20 30 DHEDHN C=CCCC[C@H](C)NCc1ncc(Br)cc1F ZINC000623485050 1017065496 /nfs/dbraw/zinc/06/54/96/1017065496.db2.gz LXHPLKLUASQWQU-JTQLQIEISA-N 0 3 301.203 3.818 20 30 DHEDHN N#Cc1cnc(Cl)c(CN[C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000877499133 1033325641 /nfs/dbraw/zinc/32/56/41/1033325641.db2.gz YVPDWPJBYHDYRT-OAHLLOKOSA-N 0 3 318.207 3.517 20 30 DHEDHN C=CCCC[C@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000179790423 1017307616 /nfs/dbraw/zinc/30/76/16/1017307616.db2.gz QVFWNDJOKPSLIY-AWEZNQCLSA-N 0 3 314.429 3.969 20 30 DHEDHN CN(C)C[C@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000282813535 1032504038 /nfs/dbraw/zinc/50/40/38/1032504038.db2.gz MSGCXZKCCSXWHJ-INIZCTEOSA-N 0 3 319.861 3.666 20 30 DHEDHN C=CCOc1ccccc1[C@@H](C)Nc1ccc(CN(C)C)cn1 ZINC001171373016 1032531613 /nfs/dbraw/zinc/53/16/13/1032531613.db2.gz OUZCVHVSXKBWHS-OAHLLOKOSA-N 0 3 311.429 3.881 20 30 DHEDHN CC(C)[C@H]1CN(Cc2cccc(OCCCC#N)c2)CCS1 ZINC000093869172 1032562244 /nfs/dbraw/zinc/56/22/44/1032562244.db2.gz DVRQNKZUCDRBHX-GOSISDBHSA-N 0 3 318.486 3.943 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc([C@@H]3C[C@@H]3C)o2)nc(C)n1 ZINC000049405399 1011897838 /nfs/dbraw/zinc/89/78/38/1011897838.db2.gz MIPCPJKNGDJDCA-CLMWKSIASA-N 0 3 321.380 3.700 20 30 DHEDHN Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424120751 1011912480 /nfs/dbraw/zinc/91/24/80/1011912480.db2.gz HAJPYNQMEQVQHY-INIZCTEOSA-N 0 3 323.396 3.747 20 30 DHEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000425234290 1012369725 /nfs/dbraw/zinc/36/97/25/1012369725.db2.gz HKTQIGXFGBHPTM-CQSZACIVSA-N 0 3 324.403 3.730 20 30 DHEDHN CC[C@H](C)N[C@H](CNc1ncc2c(c1C#N)CCC2)c1ccco1 ZINC000425257325 1012382188 /nfs/dbraw/zinc/38/21/88/1012382188.db2.gz TXZBUVAQAYWALM-SUMWQHHRSA-N 0 3 324.428 3.576 20 30 DHEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710565 1012504914 /nfs/dbraw/zinc/50/49/14/1012504914.db2.gz UZNRJBCDRGKGGE-YPMHNXCESA-N 0 3 307.825 3.536 20 30 DHEDHN COc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000125000015 1032631808 /nfs/dbraw/zinc/63/18/08/1032631808.db2.gz UXCWBZFGUWQBPI-UHFFFAOYSA-N 0 3 320.314 3.875 20 30 DHEDHN C=CCN1CCC(NC(=O)/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000254987999 1012644483 /nfs/dbraw/zinc/64/44/83/1012644483.db2.gz ZDRGWDHVQUYXTA-YPKPFQOOSA-N 0 3 318.848 3.510 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1c1cccc(C)c1 ZINC000515509043 1012646536 /nfs/dbraw/zinc/64/65/36/1012646536.db2.gz PXWMBORRXQOIPN-SFHVURJKSA-N 0 3 300.446 3.557 20 30 DHEDHN C=CCCC(C)(C)NCc1ncc(Br)cc1F ZINC000623575286 1017119095 /nfs/dbraw/zinc/11/90/95/1017119095.db2.gz TZCQAHXJFQFYCG-UHFFFAOYSA-N 0 3 301.203 3.818 20 30 DHEDHN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1cccc(Cl)c1 ZINC000342734955 1017122911 /nfs/dbraw/zinc/12/29/11/1017122911.db2.gz VLVSPMKUERSEIE-GFCCVEGCSA-N 0 3 310.788 3.710 20 30 DHEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1cccc(Cl)c1 ZINC000342734956 1017126223 /nfs/dbraw/zinc/12/62/23/1017126223.db2.gz VLVSPMKUERSEIE-LBPRGKRZSA-N 0 3 310.788 3.710 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N1CCC[C@H](C)C1)c1ccccc1 ZINC000180045126 1017358477 /nfs/dbraw/zinc/35/84/77/1017358477.db2.gz PXRVGJCUAHVFRT-FUHWJXTLSA-N 0 3 300.446 3.542 20 30 DHEDHN CCc1ccccc1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000588547050 1017443542 /nfs/dbraw/zinc/44/35/42/1017443542.db2.gz AXHPHBLQKIFQEF-UHFFFAOYSA-N 0 3 324.424 3.636 20 30 DHEDHN C[C@H](Cc1cccs1)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001167608796 1017462987 /nfs/dbraw/zinc/46/29/87/1017462987.db2.gz PLWVZODRFQXCFE-GFCCVEGCSA-N 0 3 315.398 3.591 20 30 DHEDHN C=CCC[C@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1ccco1 ZINC000624186139 1017754351 /nfs/dbraw/zinc/75/43/51/1017754351.db2.gz AWBWOHCUYRZUNO-DLBZAZTESA-N 0 3 310.397 3.703 20 30 DHEDHN N#Cc1ccccc1CNc1ccc(F)c(CN2CCCC2)c1 ZINC001167637301 1017841627 /nfs/dbraw/zinc/84/16/27/1017841627.db2.gz QZEQNCPTJDGUDY-UHFFFAOYSA-N 0 3 309.388 3.905 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000171710137 1017975994 /nfs/dbraw/zinc/97/59/94/1017975994.db2.gz KOCOGPYLTOIRMF-IAGOWNOFSA-N 0 3 321.509 3.541 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1cc2ccccc2s1 ZINC000184365898 1018076520 /nfs/dbraw/zinc/07/65/20/1018076520.db2.gz DJOWDDDXKJKDGX-CQSZACIVSA-N 0 3 314.454 3.753 20 30 DHEDHN C#Cc1ccc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858016905 1032744739 /nfs/dbraw/zinc/74/47/39/1032744739.db2.gz INMVRONWYCVAPV-HXUWFJFHSA-N 0 3 318.420 3.594 20 30 DHEDHN C#Cc1ccc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858016904 1032747500 /nfs/dbraw/zinc/74/75/00/1032747500.db2.gz INMVRONWYCVAPV-FQEVSTJZSA-N 0 3 318.420 3.594 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)c1cccc(CN(C)C)c1 ZINC000155523146 1018303211 /nfs/dbraw/zinc/30/32/11/1018303211.db2.gz ALAWJRHLAFSERE-UHFFFAOYSA-N 0 3 314.454 3.638 20 30 DHEDHN C[C@H]1CN(Cc2ccccc2)CCN1CCCCC(C)(C)C#N ZINC000383076017 1018362673 /nfs/dbraw/zinc/36/26/73/1018362673.db2.gz WZKRCVXNVHPOAT-SFHVURJKSA-N 0 3 313.489 3.913 20 30 DHEDHN CCc1ccc([C@@H](CO)N[C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000447574658 1018422280 /nfs/dbraw/zinc/42/22/80/1018422280.db2.gz OCVJFKWCRZRGSU-WOJBJXKFSA-N 0 3 308.425 3.895 20 30 DHEDHN COc1ccc(CN(Cc2ccc(C#N)cn2)[C@@H](C)C2CC2)cc1 ZINC000583508023 1018519008 /nfs/dbraw/zinc/51/90/08/1018519008.db2.gz XNYBLOCQFPNUSB-HNNXBMFYSA-N 0 3 321.424 3.763 20 30 DHEDHN C[C@@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171593404 1032771684 /nfs/dbraw/zinc/77/16/84/1032771684.db2.gz MUKRKNHRCIXKEC-ZNMIVQPWSA-N 0 3 323.481 3.692 20 30 DHEDHN CCOc1cccc(CN[C@@H](CCC#N)c2ccccc2)c1O ZINC000130424479 1018679206 /nfs/dbraw/zinc/67/92/06/1018679206.db2.gz DACRQVZUZSXUII-KRWDZBQOSA-N 0 3 310.397 3.926 20 30 DHEDHN COc1cccc([C@@H](O)CN(CCCC#N)Cc2ccccc2)c1 ZINC000157898234 1018698898 /nfs/dbraw/zinc/69/88/98/1018698898.db2.gz SOYVGZJKLGBEDZ-FQEVSTJZSA-N 0 3 324.424 3.535 20 30 DHEDHN C=CCSc1nc2ccccc2n1CN(C)[C@@H]1CCSC1 ZINC000755799225 1018747911 /nfs/dbraw/zinc/74/79/11/1018747911.db2.gz VSLIZSGLNMETAB-CYBMUJFWSA-N 0 3 319.499 3.709 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(F)c(F)c2)cc1 ZINC000765332472 1018759547 /nfs/dbraw/zinc/75/95/47/1018759547.db2.gz POAJFKNRGJFMOS-CYBMUJFWSA-N 0 3 301.336 3.828 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000248627037 1019082569 /nfs/dbraw/zinc/08/25/69/1019082569.db2.gz OVIGNLJUPBLVOD-QZTJIDSGSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCC[C@@H](NCCOc1ccc(OC)cc1)c1ccco1 ZINC000671739730 1019269042 /nfs/dbraw/zinc/26/90/42/1019269042.db2.gz HCCFLBFVDKDDSD-QGZVFWFLSA-N 0 3 301.386 3.964 20 30 DHEDHN COc1ccc([C@H]2C[C@@H](NCC3(C#N)CCCC3)CCO2)cc1 ZINC001168577250 1019430454 /nfs/dbraw/zinc/43/04/54/1019430454.db2.gz OPUHAUFFZGRMJW-FUHWJXTLSA-N 0 3 314.429 3.589 20 30 DHEDHN N#CCC[C@@H](N[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000611337068 1019447837 /nfs/dbraw/zinc/44/78/37/1019447837.db2.gz OCINGTVIFMFBQD-UYAOXDASSA-N 0 3 305.425 3.900 20 30 DHEDHN C[C@@H](NCc1ccnc(C#N)c1)c1ccc(-c2ccncc2)cc1 ZINC000611401994 1019472043 /nfs/dbraw/zinc/47/20/43/1019472043.db2.gz PONGNQYXLYCMQW-OAHLLOKOSA-N 0 3 314.392 3.866 20 30 DHEDHN Cc1cc(C)cc(OCCNC2(c3cccc(C#N)c3)CC2)c1 ZINC000611396115 1019472424 /nfs/dbraw/zinc/47/24/24/1019472424.db2.gz JJFWHOZZHOTJOO-UHFFFAOYSA-N 0 3 306.409 3.833 20 30 DHEDHN C#CC[C@H](CCOC)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000858333721 1032849302 /nfs/dbraw/zinc/84/93/02/1032849302.db2.gz OCMHRPYHZKADFX-CYBMUJFWSA-N 0 3 319.351 3.743 20 30 DHEDHN C=CCOc1ccc(CN[C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000533821126 1019792159 /nfs/dbraw/zinc/79/21/59/1019792159.db2.gz XIBMFHRWNZPQBA-HXUWFJFHSA-N 0 3 308.425 3.528 20 30 DHEDHN C=CCOc1ccc(CN[C@H]2CN(C)Cc3ccccc32)cc1 ZINC000533821124 1019794130 /nfs/dbraw/zinc/79/41/30/1019794130.db2.gz XIBMFHRWNZPQBA-FQEVSTJZSA-N 0 3 308.425 3.528 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCCCCC)CC1 ZINC000730020836 1019934318 /nfs/dbraw/zinc/93/43/18/1019934318.db2.gz BJFAYVULOZLHGQ-MRXNPFEDSA-N 0 3 309.498 3.685 20 30 DHEDHN N#Cc1ccc(CN2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091868122 1020064858 /nfs/dbraw/zinc/06/48/58/1020064858.db2.gz RHWHOQOCMOGQFA-UHFFFAOYSA-N 0 3 324.399 3.879 20 30 DHEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347723049 1020119870 /nfs/dbraw/zinc/11/98/70/1020119870.db2.gz FCLMLRTWJXUCCT-XJKSGUPXSA-N 0 3 319.836 3.680 20 30 DHEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1nc2cc(F)ccc2o1 ZINC000922604723 1020158730 /nfs/dbraw/zinc/15/87/30/1020158730.db2.gz XANPCAPJUHXUOR-UHFFFAOYSA-N 0 3 323.371 3.949 20 30 DHEDHN CC[C@@H](C)CN(C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000732205530 1020211850 /nfs/dbraw/zinc/21/18/50/1020211850.db2.gz JKBTYZSOWJMKEM-OAHLLOKOSA-N 0 3 315.461 3.528 20 30 DHEDHN COC(=O)[C@@H](C)[C@H](NCc1ccc(C#N)cc1C)c1ccccc1 ZINC000186304350 1020225927 /nfs/dbraw/zinc/22/59/27/1020225927.db2.gz SNDUJPBPYNESFF-KXBFYZLASA-N 0 3 322.408 3.507 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(OCC)cc1 ZINC000073738467 1020230214 /nfs/dbraw/zinc/23/02/14/1020230214.db2.gz ZZEGFZSDBANZPP-HZPDHXFCSA-N 0 3 318.461 3.549 20 30 DHEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)c1ccc2ccccc2n1 ZINC000732494363 1020242715 /nfs/dbraw/zinc/24/27/15/1020242715.db2.gz MXQSKZQMABUPHD-HOTGVXAUSA-N 0 3 308.381 3.760 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000331291706 1020262190 /nfs/dbraw/zinc/26/21/90/1020262190.db2.gz WOSCRJUPANCFIL-RHSMWYFYSA-N 0 3 314.429 3.673 20 30 DHEDHN C=CCN(CC1CCCCC1)Cn1nccc1-c1cccnc1 ZINC000732669895 1020267044 /nfs/dbraw/zinc/26/70/44/1020267044.db2.gz INHBPFOSRHWOLV-UHFFFAOYSA-N 0 3 310.445 3.971 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC)cc1 ZINC000131567170 1020289454 /nfs/dbraw/zinc/28/94/54/1020289454.db2.gz PEODGIJLMAHURF-DVOMOZLQSA-N 0 3 300.402 3.894 20 30 DHEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000658335280 1020307691 /nfs/dbraw/zinc/30/76/91/1020307691.db2.gz QNNVEMDIPVNWTC-RDTXWAMCSA-N 0 3 315.388 3.602 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccccc2N(C)CC)cc1 ZINC000733328059 1020373892 /nfs/dbraw/zinc/37/38/92/1020373892.db2.gz LMVMXQCCPDVKAK-UHFFFAOYSA-N 0 3 322.452 3.835 20 30 DHEDHN N#CC(C(=O)CCc1cscn1)c1ccc2ccccc2n1 ZINC000733679553 1020424070 /nfs/dbraw/zinc/42/40/70/1020424070.db2.gz ANHPPTABNBRYIX-CQSZACIVSA-N 0 3 307.378 3.500 20 30 DHEDHN C=CCN(CC=C)[C@@H](CN[C@@H]1CCCc2oc(C)nc21)C(C)C ZINC000924641848 1032903989 /nfs/dbraw/zinc/90/39/89/1032903989.db2.gz DAQZNUCJOGOBCD-SJORKVTESA-N 0 3 317.477 3.649 20 30 DHEDHN C[C@@H]1CCC[C@H](N(C)Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075637864 1020499926 /nfs/dbraw/zinc/49/99/26/1020499926.db2.gz IXGDIKLLLNUCAD-CJNGLKHVSA-N 0 3 310.401 3.619 20 30 DHEDHN CCOc1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000073977425 1020519386 /nfs/dbraw/zinc/51/93/86/1020519386.db2.gz MZAILYBFHNCWHT-HNNXBMFYSA-N 0 3 320.348 3.645 20 30 DHEDHN CCC(C)(C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733996512 1020541515 /nfs/dbraw/zinc/54/15/15/1020541515.db2.gz LBWUYMWCKDURFK-GFCCVEGCSA-N 0 3 315.442 3.593 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2ccccc2OC)C1 ZINC000132546533 1020551592 /nfs/dbraw/zinc/55/15/92/1020551592.db2.gz VEEAVURDAHIEJI-INIZCTEOSA-N 0 3 322.408 3.565 20 30 DHEDHN C=CCN1CC[C@H](N[C@H](CC(C)C)c2ccc(Cl)cc2)C1=O ZINC000337167229 1032910267 /nfs/dbraw/zinc/91/02/67/1032910267.db2.gz ASAWSKCUIUPXQG-DLBZAZTESA-N 0 3 320.864 3.804 20 30 DHEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892498182 1020570293 /nfs/dbraw/zinc/57/02/93/1020570293.db2.gz FNWRVVKJJYYHOW-LLVKDONJSA-N 0 3 322.767 3.729 20 30 DHEDHN CCOc1cc(CNCc2c(C)cc(C#N)cc2C)ccc1OC ZINC000921740003 1020607072 /nfs/dbraw/zinc/60/70/72/1020607072.db2.gz BWHLVQRSDDPUJD-UHFFFAOYSA-N 0 3 324.424 3.872 20 30 DHEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)cc1Cl ZINC000163875368 1020623021 /nfs/dbraw/zinc/62/30/21/1020623021.db2.gz KYTOGHVZNKXBRF-XJKSGUPXSA-N 0 3 306.837 3.727 20 30 DHEDHN CC[C@@H](NCc1ccc(N(C)C(C)=O)cc1)c1ccc(C#N)cc1 ZINC000858498315 1032923833 /nfs/dbraw/zinc/92/38/33/1032923833.db2.gz OGNRUZJKNCCXRI-HXUWFJFHSA-N 0 3 321.424 3.782 20 30 DHEDHN N#CCOc1ccc(CN2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000735494307 1020743389 /nfs/dbraw/zinc/74/33/89/1020743389.db2.gz BLORVPYUEDFHJG-LJQANCHMSA-N 0 3 324.449 3.879 20 30 DHEDHN CCCCCCN(C)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000735657998 1020759909 /nfs/dbraw/zinc/75/99/09/1020759909.db2.gz QMXYSFNPSRZIKF-MRXNPFEDSA-N 0 3 321.852 3.533 20 30 DHEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000414223463 1021009687 /nfs/dbraw/zinc/00/96/87/1021009687.db2.gz OTSNMWYHACQDGF-DPMMWBKBSA-N 0 3 310.372 3.660 20 30 DHEDHN CC1(C)OCCC12CCN(Cc1cccc(C#N)c1Cl)CC2 ZINC001140814576 1021038432 /nfs/dbraw/zinc/03/84/32/1021038432.db2.gz NIEIUPMWBCGMPL-UHFFFAOYSA-N 0 3 318.848 3.993 20 30 DHEDHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)CCC3)cc1C#N ZINC000742367598 1021107379 /nfs/dbraw/zinc/10/73/79/1021107379.db2.gz COCUGNUQTDTGFK-AWEZNQCLSA-N 0 3 306.409 3.906 20 30 DHEDHN COc1ccc(CNCc2cccc(OC(C)C)c2)cc1C#N ZINC000742367005 1021107878 /nfs/dbraw/zinc/10/78/78/1021107878.db2.gz CFHUJHLFJAQEME-UHFFFAOYSA-N 0 3 310.397 3.644 20 30 DHEDHN CC(C)[C@H](C#N)c1ccc(-n2nc(CN)c3ccccc32)cc1 ZINC001167698353 1021120912 /nfs/dbraw/zinc/12/09/12/1021120912.db2.gz UCIANBNPJQGIFT-KRWDZBQOSA-N 0 3 304.397 3.747 20 30 DHEDHN N#CCc1cc2ccccc2c(-n2nc(CN)c3ccccc32)c1 ZINC001167699858 1021124001 /nfs/dbraw/zinc/12/40/01/1021124001.db2.gz CVRUVHGEPZOSNH-UHFFFAOYSA-N 0 3 312.376 3.703 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1ccccc1OC(F)(F)F ZINC000090883866 1021253432 /nfs/dbraw/zinc/25/34/32/1021253432.db2.gz PCXMPXDFHPAVTB-LBPRGKRZSA-N 0 3 303.324 3.829 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(F)c(OC)c2)cc1 ZINC000154486487 1021341361 /nfs/dbraw/zinc/34/13/61/1021341361.db2.gz ZHHTWSHDTZJICV-AWEZNQCLSA-N 0 3 313.372 3.697 20 30 DHEDHN C=CC[C@@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1ccncc1 ZINC000850137891 1021425789 /nfs/dbraw/zinc/42/57/89/1021425789.db2.gz UZRSHQOQQSNPDA-WOJBJXKFSA-N 0 3 324.424 3.656 20 30 DHEDHN C#CC[C@@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1 ZINC000850225314 1021446104 /nfs/dbraw/zinc/44/61/04/1021446104.db2.gz BKLPDJUYLQHHJC-LEWJYISDSA-N 0 3 321.420 3.709 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3cccc(F)c3)nc21 ZINC000744161376 1021454080 /nfs/dbraw/zinc/45/40/80/1021454080.db2.gz TUKYODIXGQCBTG-SWLSCSKDSA-N 0 3 321.355 3.990 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cnc(-c2ccccc2)[nH]1 ZINC000618742203 1021501346 /nfs/dbraw/zinc/50/13/46/1021501346.db2.gz UATHARZVORQTOS-LJQANCHMSA-N 0 3 314.392 3.725 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000480712209 1021502129 /nfs/dbraw/zinc/50/21/29/1021502129.db2.gz INPSVSWDRLWEFA-VHSSKADRSA-N 0 3 304.409 3.942 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(-n2cccn2)cc1 ZINC000618743154 1021503382 /nfs/dbraw/zinc/50/33/82/1021503382.db2.gz YHZHZVNTDNATLM-FQEVSTJZSA-N 0 3 314.392 3.521 20 30 DHEDHN Cc1c([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cnn1C(C)C ZINC000618807403 1021533559 /nfs/dbraw/zinc/53/35/59/1021533559.db2.gz YSCSOCQHQLCRKH-BFUOFWGJSA-N 0 3 308.429 3.982 20 30 DHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc2c(c1)CCCO2 ZINC000850444123 1021537163 /nfs/dbraw/zinc/53/71/63/1021537163.db2.gz VFFGRFJSDHUJRP-OAHLLOKOSA-N 0 3 322.408 3.765 20 30 DHEDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565046470 1021623194 /nfs/dbraw/zinc/62/31/94/1021623194.db2.gz LCONUJGXIOEFAK-GJZGRUSLSA-N 0 3 319.430 3.572 20 30 DHEDHN C[C@@H]1CCC[C@](C/N=C/c2cc(Cl)ccc2[O-])([NH+](C)C)C1 ZINC000918712968 1021627649 /nfs/dbraw/zinc/62/76/49/1021627649.db2.gz GGPCNNLZFACXOQ-BIVOIICOSA-N 0 3 308.853 3.975 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1 ZINC000850760881 1021642279 /nfs/dbraw/zinc/64/22/79/1021642279.db2.gz FDIGWFRORJYXQV-WFASDCNBSA-N 0 3 304.365 3.597 20 30 DHEDHN N#CC(C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccccn1 ZINC000850756067 1021642664 /nfs/dbraw/zinc/64/26/64/1021642664.db2.gz MBFMVHFCXSHWGW-KSZLIROESA-N 0 3 304.393 3.917 20 30 DHEDHN COC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000613667776 1021674409 /nfs/dbraw/zinc/67/44/09/1021674409.db2.gz PUCMWELSUOSBCD-CQDKDKBSSA-N 0 3 312.335 3.675 20 30 DHEDHN COc1cc2c(cc1OC)[C@H](N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000279935108 1021698684 /nfs/dbraw/zinc/69/86/84/1021698684.db2.gz AWTYXYXWBXVNEN-SCLBCKFNSA-N 0 3 322.408 3.914 20 30 DHEDHN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000776515114 1021722541 /nfs/dbraw/zinc/72/25/41/1021722541.db2.gz HENOSEBIZFXDMT-UKPHBRMFSA-N 0 3 320.392 3.923 20 30 DHEDHN COc1cc2c(cc1OC)[C@@H](N[C@H](C)c1cccc(C#N)c1)CC2 ZINC000619465759 1021765108 /nfs/dbraw/zinc/76/51/08/1021765108.db2.gz YNGBAPISALOCCO-ACJLOTCBSA-N 0 3 322.408 3.914 20 30 DHEDHN COC(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1C ZINC000893078076 1021876018 /nfs/dbraw/zinc/87/60/18/1021876018.db2.gz QHLBXZRYNZYRMH-AWEZNQCLSA-N 0 3 308.381 3.504 20 30 DHEDHN C#CCOc1ccccc1CN[C@H]1CCCc2cc(OC)ccc21 ZINC000746195599 1021885293 /nfs/dbraw/zinc/88/52/93/1021885293.db2.gz DAAYYYFHTRJDSW-FQEVSTJZSA-N 0 3 321.420 3.874 20 30 DHEDHN COCc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748311 1021885095 /nfs/dbraw/zinc/88/50/95/1021885095.db2.gz AFCQNEOKAAOMBD-UHFFFAOYSA-N 0 3 300.789 3.648 20 30 DHEDHN C=CCC1(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CCC1 ZINC000348450019 1033021559 /nfs/dbraw/zinc/02/15/59/1033021559.db2.gz BIRUHCZMJLSWGQ-WBVHZDCISA-N 0 3 300.446 3.540 20 30 DHEDHN CC[C@H](/[NH+]=C\c1ccc(N(CC)CC)cc1[O-])C1CCOCC1 ZINC000746393877 1022060732 /nfs/dbraw/zinc/06/07/32/1022060732.db2.gz LXFMRSYRUATEDW-HJHGFDQJSA-N 0 3 318.461 3.863 20 30 DHEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCC(C)(C)C#N ZINC000776581825 1022100823 /nfs/dbraw/zinc/10/08/23/1022100823.db2.gz MOZPBDAWXBLONK-LSDHHAIUSA-N 0 3 323.481 3.694 20 30 DHEDHN COc1ccc(C#N)cc1CN(CCc1ccccc1)C1CC1 ZINC000746460132 1022111716 /nfs/dbraw/zinc/11/17/16/1022111716.db2.gz FJTIMNCLGAIWRR-UHFFFAOYSA-N 0 3 306.409 3.774 20 30 DHEDHN COc1ccc(CNCc2ccc(Cl)cc2C)cc1C#N ZINC000766437634 1022113211 /nfs/dbraw/zinc/11/32/11/1022113211.db2.gz FFAGZKXBHFLUCO-UHFFFAOYSA-N 0 3 300.789 3.819 20 30 DHEDHN CC(=NN[C@H](C)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000920386310 1022114486 /nfs/dbraw/zinc/11/44/86/1022114486.db2.gz WTBMVGUJUWHMHV-MRXNPFEDSA-N 0 3 323.440 3.598 20 30 DHEDHN CC[C@H]1Cc2ccccc2CN1CCOc1ccccc1C#N ZINC001169015318 1022217565 /nfs/dbraw/zinc/21/75/65/1022217565.db2.gz WIVICAXCMOHZPM-IBGZPJMESA-N 0 3 306.409 3.774 20 30 DHEDHN CCC1(CC)CN(CCOc2ccccc2C#N)CCS1 ZINC001169022695 1022226800 /nfs/dbraw/zinc/22/68/00/1022226800.db2.gz BZKHHDDDZVLGPU-UHFFFAOYSA-N 0 3 304.459 3.545 20 30 DHEDHN Cc1nc(C)c(CN[C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000265527664 1022274173 /nfs/dbraw/zinc/27/41/73/1022274173.db2.gz ISWNDYPLYZKGRC-LLVKDONJSA-N 0 3 301.415 3.513 20 30 DHEDHN C=CC[N@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@@H](C)COC ZINC000853532983 1022287180 /nfs/dbraw/zinc/28/71/80/1022287180.db2.gz RJHFBOWMKAPQCV-AWEZNQCLSA-N 0 3 315.413 3.577 20 30 DHEDHN C=CC[N@@H+](Cc1c([O-])ccc2ccc(OC)cc21)[C@@H](C)COC ZINC000853532983 1022287185 /nfs/dbraw/zinc/28/71/85/1022287185.db2.gz RJHFBOWMKAPQCV-AWEZNQCLSA-N 0 3 315.413 3.577 20 30 DHEDHN CN(CCSc1nc(C#N)c(Cl)s1)Cc1ccccc1 ZINC000853553815 1022292102 /nfs/dbraw/zinc/29/21/02/1022292102.db2.gz SMDBRRMIFAUOEI-UHFFFAOYSA-N 0 3 323.874 3.892 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC000538391778 1033048073 /nfs/dbraw/zinc/04/80/73/1033048073.db2.gz UEMZCISIJSQTLI-QFBILLFUSA-N 0 3 312.457 3.625 20 30 DHEDHN C#C[C@@H](C)[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000766666601 1022381539 /nfs/dbraw/zinc/38/15/39/1022381539.db2.gz XNEUSLQKDUWWEQ-LLVKDONJSA-N 0 3 318.214 3.761 20 30 DHEDHN C#C[C@@H](C)[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000766666601 1022381557 /nfs/dbraw/zinc/38/15/57/1022381557.db2.gz XNEUSLQKDUWWEQ-LLVKDONJSA-N 0 3 318.214 3.761 20 30 DHEDHN Cc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1C#N ZINC000859062166 1033057954 /nfs/dbraw/zinc/05/79/54/1033057954.db2.gz OSRXWCBQLDDEKT-NRFANRHFSA-N 0 3 320.436 3.812 20 30 DHEDHN CS[C@@H](C)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000103330564 1022505695 /nfs/dbraw/zinc/50/56/95/1022505695.db2.gz ORVMJZYLOMJBKM-CMPLNLGQSA-N 0 3 302.424 3.738 20 30 DHEDHN COc1ccc(F)c(CN[C@@H](C)Cc2ccc(C#N)cc2)c1F ZINC001172303413 1033073733 /nfs/dbraw/zinc/07/37/33/1033073733.db2.gz XORJVXDOGZIOGC-LBPRGKRZSA-N 0 3 316.351 3.566 20 30 DHEDHN C[C@H](N[C@@H](CO)CC1CCCCC1)c1ccc(C#N)cc1F ZINC000417367759 1022708885 /nfs/dbraw/zinc/70/88/85/1022708885.db2.gz PHCKTGUBOOBLIP-XJKSGUPXSA-N 0 3 304.409 3.679 20 30 DHEDHN Cc1cccc(-c2n[nH]cc2CNCc2ccc(C#N)cc2)c1 ZINC000728775043 1022743164 /nfs/dbraw/zinc/74/31/64/1022743164.db2.gz BFWMDTAOCVAUQJ-UHFFFAOYSA-N 0 3 302.381 3.547 20 30 DHEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccc(CCCC)cc1 ZINC000180737307 1022799164 /nfs/dbraw/zinc/79/91/64/1022799164.db2.gz HJHRTPXXNMFMIV-GOSISDBHSA-N 0 3 324.424 3.870 20 30 DHEDHN CC(C)N1CCN(c2cccc(N=Cc3ccccc3O)c2)CC1 ZINC000767878131 1022825933 /nfs/dbraw/zinc/82/59/33/1022825933.db2.gz JSFWHTHCMDNQBB-UHFFFAOYSA-N 0 3 323.440 3.673 20 30 DHEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)oc1C ZINC000768168555 1022909994 /nfs/dbraw/zinc/90/99/94/1022909994.db2.gz UKUHOPZRYNLKTG-ZDUSSCGKSA-N 0 3 316.744 3.511 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000876556862 1033091754 /nfs/dbraw/zinc/09/17/54/1033091754.db2.gz WSECRVOONKZXKF-QPUJVOFHSA-N 0 3 321.635 3.641 20 30 DHEDHN C=CCN(CCc1c(C)noc1C)Cc1ccc(OC)cc1 ZINC000164926694 1022965896 /nfs/dbraw/zinc/96/58/96/1022965896.db2.gz KRYAMDWWJXNFPU-UHFFFAOYSA-N 0 3 300.402 3.531 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1ccc(F)c(F)c1F ZINC001172289285 1033095020 /nfs/dbraw/zinc/09/50/20/1033095020.db2.gz BEFRFHUMGQPKNF-LLVKDONJSA-N 0 3 304.315 3.696 20 30 DHEDHN C[C@@H](N)c1nc2ccccc2n1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172290969 1033095236 /nfs/dbraw/zinc/09/52/36/1033095236.db2.gz UMDMGVWADJETJW-ZIAGYGMSSA-N 0 3 304.397 3.731 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 ZINC000876617309 1033105243 /nfs/dbraw/zinc/10/52/43/1033105243.db2.gz KCYDIOJDBAWDEJ-GXTWGEPZSA-N 0 3 320.820 3.812 20 30 DHEDHN CC[C@@H](C)c1ccc([C@H](NCC(=O)NCCC#N)C(C)C)cc1 ZINC000198751725 1023370533 /nfs/dbraw/zinc/37/05/33/1023370533.db2.gz FPSNBAKLTINQHI-DNVCBOLYSA-N 0 3 315.461 3.517 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000876745026 1033130927 /nfs/dbraw/zinc/13/09/27/1033130927.db2.gz ILNMCFIKUSACPQ-INIZCTEOSA-N 0 3 321.852 3.840 20 30 DHEDHN CCCCCCC[C@@H](CC)N1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001172360051 1033139817 /nfs/dbraw/zinc/13/98/17/1033139817.db2.gz IHRKKESMIDLLKO-FGTMMUONSA-N 0 3 310.526 3.919 20 30 DHEDHN C=CC[C@@H]1CC[C@@H](N[C@H](c2cnn(C)c2)c2ccc(F)cc2)C1 ZINC000651766205 1023528567 /nfs/dbraw/zinc/52/85/67/1023528567.db2.gz ZKKQHXXZICOBOO-ZMYBRWDISA-N 0 3 313.420 3.983 20 30 DHEDHN C#CCN(Cc1cccc(OCC)c1O)[C@H]1CCc2ccccc21 ZINC000772600091 1023576808 /nfs/dbraw/zinc/57/68/08/1023576808.db2.gz SYJPRZSTLGUTRN-IBGZPJMESA-N 0 3 321.420 3.914 20 30 DHEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000661379025 1023582893 /nfs/dbraw/zinc/58/28/93/1023582893.db2.gz QVXZCVTVVGZODK-IAGOWNOFSA-N 0 3 300.446 3.919 20 30 DHEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000661379026 1023583299 /nfs/dbraw/zinc/58/32/99/1023583299.db2.gz QVXZCVTVVGZODK-IRXDYDNUSA-N 0 3 300.446 3.919 20 30 DHEDHN CCOCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000785613331 1023598617 /nfs/dbraw/zinc/59/86/17/1023598617.db2.gz FDYIOYNYOHUVRZ-FQEVSTJZSA-N 0 3 322.408 3.708 20 30 DHEDHN N#Cc1cccc(COC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000785723621 1023609606 /nfs/dbraw/zinc/60/96/06/1023609606.db2.gz RBKVXWSVUSRPHF-UHFFFAOYSA-N 0 3 320.392 3.511 20 30 DHEDHN CCCCCCCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000788646791 1023913940 /nfs/dbraw/zinc/91/39/40/1023913940.db2.gz CXLJNISQONDAFI-KRWDZBQOSA-N 0 3 304.413 3.983 20 30 DHEDHN C=CCOc1ccccc1CN(C)CCc1ncc(C)s1 ZINC000093807226 1023924958 /nfs/dbraw/zinc/92/49/58/1023924958.db2.gz VYHYQYMRKBKZFY-UHFFFAOYSA-N 0 3 302.443 3.691 20 30 DHEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)CCCCC1 ZINC000452119855 1023971786 /nfs/dbraw/zinc/97/17/86/1023971786.db2.gz HTEIFLCDNFBNPB-RCCFBDPRSA-N 0 3 318.505 3.702 20 30 DHEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268637193 1024135078 /nfs/dbraw/zinc/13/50/78/1024135078.db2.gz RKRHTBMVIFXOMM-KPZWWZAWSA-N 0 3 316.351 3.563 20 30 DHEDHN C=CCC[C@H](NC[C@H]1COC2(CCCCC2)O1)c1ccco1 ZINC000789744644 1024162830 /nfs/dbraw/zinc/16/28/30/1024162830.db2.gz XRQZBVMBIIBONV-HOTGVXAUSA-N 0 3 305.418 3.952 20 30 DHEDHN C=CCC[C@H](COc1ccccc1)NCc1c(C)noc1C ZINC000883177195 1024270624 /nfs/dbraw/zinc/27/06/24/1024270624.db2.gz VNBBCVFYTXZPIN-MRXNPFEDSA-N 0 3 300.402 3.795 20 30 DHEDHN C=CCC[C@H](N[C@H]1CCCc2cn(C(C)C)nc21)[C@@H]1CCCO1 ZINC000883216503 1024295104 /nfs/dbraw/zinc/29/51/04/1024295104.db2.gz RDMDCSKHHFSGHA-BZSNNMDCSA-N 0 3 317.477 3.945 20 30 DHEDHN C=CCC[C@@H](COc1ccccc1)NCc1cnc(CC)o1 ZINC000883226904 1024301926 /nfs/dbraw/zinc/30/19/26/1024301926.db2.gz HQDONFIKQRMVLI-HNNXBMFYSA-N 0 3 300.402 3.740 20 30 DHEDHN C#CCCCCCCN[C@H](CC)c1nnc2n1CCCCC2 ZINC000876996559 1033201857 /nfs/dbraw/zinc/20/18/57/1033201857.db2.gz ZNTLJFNJCJBRMR-MRXNPFEDSA-N 0 3 302.466 3.629 20 30 DHEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)c1ccccc1F ZINC000876997709 1033202966 /nfs/dbraw/zinc/20/29/66/1033202966.db2.gz FAEBPZIBSACOQI-UHFFFAOYSA-N 0 3 317.795 3.813 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000790696601 1024357087 /nfs/dbraw/zinc/35/70/87/1024357087.db2.gz UMJAMEBWEMZKIH-OAHLLOKOSA-N 0 3 324.380 3.766 20 30 DHEDHN C=C(C)CCN[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000453328147 1024449538 /nfs/dbraw/zinc/44/95/38/1024449538.db2.gz WODPTRSQUUFBAZ-LBPRGKRZSA-N 0 3 304.825 3.846 20 30 DHEDHN CCn1cc([C@@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000453353502 1024479136 /nfs/dbraw/zinc/47/91/36/1024479136.db2.gz ICVRSANWKSZQSP-KUHUBIRLSA-N 0 3 308.429 3.893 20 30 DHEDHN CC(C)(C)[C@H]1OCCC[C@@H]1CNCc1cc(C#N)cnc1Cl ZINC000877038109 1033215453 /nfs/dbraw/zinc/21/54/53/1033215453.db2.gz HROSNBKMTZEMSY-HIFRSBDPSA-N 0 3 321.852 3.538 20 30 DHEDHN C=CCN(CCc1nc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000271547482 1024537367 /nfs/dbraw/zinc/53/73/67/1024537367.db2.gz ZTTVMFCXEROSLJ-UHFFFAOYSA-N 0 3 303.793 3.583 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1sc(C)cc1Br ZINC000453594864 1024537488 /nfs/dbraw/zinc/53/74/88/1024537488.db2.gz LBDKJMYRGLPZBW-NEPJUHHUSA-N 0 3 316.264 3.642 20 30 DHEDHN C=CCN1CCC(Nc2cc(CC)c(-c3ccccc3)nn2)CC1 ZINC000663569164 1024565127 /nfs/dbraw/zinc/56/51/27/1024565127.db2.gz GOYXLAFQDWOBSU-UHFFFAOYSA-N 0 3 322.456 3.768 20 30 DHEDHN CN(Cc1ccc(Br)c(F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000339126669 1024570831 /nfs/dbraw/zinc/57/08/31/1024570831.db2.gz SVVGVJHLGDYZQQ-PWSUYJOCSA-N 0 3 311.198 3.712 20 30 DHEDHN Cc1cc(C)cc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000107072129 1024609249 /nfs/dbraw/zinc/60/92/49/1024609249.db2.gz IPZVLLBMCRAYIS-CVEARBPZSA-N 0 3 321.424 3.853 20 30 DHEDHN CC(C)c1nn(-c2ccccc2)cc1CN[C@H]1CC[C@H](C#N)C1 ZINC000349822709 1024758410 /nfs/dbraw/zinc/75/84/10/1024758410.db2.gz QOBULFHYPLBEOL-RDJZCZTQSA-N 0 3 308.429 3.778 20 30 DHEDHN CC(C)[C@@H]1CCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000350112751 1024791240 /nfs/dbraw/zinc/79/12/40/1024791240.db2.gz FWWDYXAVWUJEKT-SFHVURJKSA-N 0 3 323.440 3.858 20 30 DHEDHN N#Cc1cnc(Cl)c(CNC2(Cc3ccccc3)CCC2)c1 ZINC000877085522 1033234332 /nfs/dbraw/zinc/23/43/32/1033234332.db2.gz PAIUYAJRMUVQAY-UHFFFAOYSA-N 0 3 311.816 3.862 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931916837 1024864258 /nfs/dbraw/zinc/86/42/58/1024864258.db2.gz WSRIKQDJMAWALO-RISCZKNCSA-N 0 3 312.310 3.986 20 30 DHEDHN C(#Cc1ccccc1)CNc1cc(CN2CCCCC2)ccn1 ZINC001170425874 1024896798 /nfs/dbraw/zinc/89/67/98/1024896798.db2.gz IQZJZCWBZSUHAW-UHFFFAOYSA-N 0 3 305.425 3.531 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000793231832 1024943866 /nfs/dbraw/zinc/94/38/66/1024943866.db2.gz RBYAPYRGAVWYPP-TYNCELHUSA-N 0 3 312.335 3.750 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc3nccc(C)c3c2)n1 ZINC000353415422 1025056590 /nfs/dbraw/zinc/05/65/90/1025056590.db2.gz ICUPKTQYXPLUNY-AWEZNQCLSA-N 0 3 307.378 3.798 20 30 DHEDHN N#Cc1ccccc1CN1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134786255 1025132330 /nfs/dbraw/zinc/13/23/30/1025132330.db2.gz MWWXIDDRBLMSCP-PMACEKPBSA-N 0 3 324.399 3.785 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@](C)(O)CC2)cc1Cl ZINC000279703676 1025159124 /nfs/dbraw/zinc/15/91/24/1025159124.db2.gz RNBRLGOPLACXFL-QGZVFWFLSA-N 0 3 309.837 3.642 20 30 DHEDHN C=CCC[C@@H](NCCN1CCc2ccccc2C1=O)c1ccco1 ZINC000353673155 1025190884 /nfs/dbraw/zinc/19/08/84/1025190884.db2.gz RMAFSGYYEDWJQO-GOSISDBHSA-N 0 3 324.424 3.575 20 30 DHEDHN COc1cc(CN2CC[C@@H](c3ccccc3F)C2)ccc1C#N ZINC000354122121 1025360601 /nfs/dbraw/zinc/36/06/01/1025360601.db2.gz XUPHVJGODDLBLB-MRXNPFEDSA-N 0 3 310.372 3.695 20 30 DHEDHN Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000032791701 1025362565 /nfs/dbraw/zinc/36/25/65/1025362565.db2.gz XYGJZBPOQGVNAB-HUUCEWRRSA-N 0 3 307.397 3.545 20 30 DHEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(F)cc1Br ZINC000320328501 1025431008 /nfs/dbraw/zinc/43/10/08/1025431008.db2.gz YODFRFYQXXVPPU-CMPLNLGQSA-N 0 3 316.214 3.566 20 30 DHEDHN C=CCCCCCN1CCCC[C@]12CC(=O)N(CC(=C)C)C2 ZINC001275328719 1025438204 /nfs/dbraw/zinc/43/82/04/1025438204.db2.gz BGBNPIWRCPKYNY-LJQANCHMSA-N 0 3 304.478 3.766 20 30 DHEDHN C=CCN(CCCn1ccnc1C)Cc1ccc(Cl)s1 ZINC000124712165 1025439910 /nfs/dbraw/zinc/43/99/10/1025439910.db2.gz NRVBXRZTPLHYJK-UHFFFAOYSA-N 0 3 309.866 3.985 20 30 DHEDHN CC[C@@H](C)N[C@@H](CNc1nc(Cl)c(C#N)s1)c1ccco1 ZINC000804783607 1025481588 /nfs/dbraw/zinc/48/15/88/1025481588.db2.gz SYTQLWYTHSMXJR-ZJUUUORDSA-N 0 3 324.837 3.802 20 30 DHEDHN C=C(C)[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccc(F)c(F)c1 ZINC000886140161 1025526197 /nfs/dbraw/zinc/52/61/97/1025526197.db2.gz AYNGPFHFYUKWOQ-YOEHRIQHSA-N 0 3 320.383 3.616 20 30 DHEDHN C#CC[C@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000886353189 1025599499 /nfs/dbraw/zinc/59/94/99/1025599499.db2.gz DCLLZDPSUKAEDT-ZDUSSCGKSA-N 0 3 300.789 3.840 20 30 DHEDHN C#CC[C@H]1CCN([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000886355280 1025602802 /nfs/dbraw/zinc/60/28/02/1025602802.db2.gz FVEDYSIEOVCLIR-STQMWFEESA-N 0 3 315.804 3.796 20 30 DHEDHN C#CC[C@H]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000886360307 1025604025 /nfs/dbraw/zinc/60/40/25/1025604025.db2.gz UEDINUJWZHQFMH-KRWDZBQOSA-N 0 3 318.420 3.637 20 30 DHEDHN C#CCC1(NCc2csc(Cl)c2Cl)CCOCC1 ZINC000886379358 1025610252 /nfs/dbraw/zinc/61/02/52/1025610252.db2.gz YKNHQGOIVBESIW-UHFFFAOYSA-N 0 3 304.242 3.717 20 30 DHEDHN C=C(C)[C@H]1CC=C(COC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000805891298 1025702130 /nfs/dbraw/zinc/70/21/30/1025702130.db2.gz PFPBHLBQDFPGAX-INIZCTEOSA-N 0 3 303.446 3.707 20 30 DHEDHN CSc1ccc(CN[C@@H](C)c2cccc(CO)c2)cc1C#N ZINC000886687960 1025787479 /nfs/dbraw/zinc/78/74/79/1025787479.db2.gz IBSUQWNBIPPVAK-ZDUSSCGKSA-N 0 3 312.438 3.623 20 30 DHEDHN CCOc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000236949595 1025804576 /nfs/dbraw/zinc/80/45/76/1025804576.db2.gz SCOQTSCFDYMKOT-HNNXBMFYSA-N 0 3 310.397 3.666 20 30 DHEDHN C=CCC1(O)CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000886764232 1025882935 /nfs/dbraw/zinc/88/29/35/1025882935.db2.gz NYEHGDDVZCQHQO-UHFFFAOYSA-N 0 3 316.832 3.791 20 30 DHEDHN CCOC(=O)c1ccc(-c2ccc(CNCCCC#N)o2)cc1 ZINC000614247844 1025991298 /nfs/dbraw/zinc/99/12/98/1025991298.db2.gz JKJRTPPWVQCWSI-UHFFFAOYSA-N 0 3 312.369 3.517 20 30 DHEDHN Cc1noc(C2(C)CCN(CCC3(C#N)CCCCC3)CC2)n1 ZINC000411500713 1026035176 /nfs/dbraw/zinc/03/51/76/1026035176.db2.gz FPGKQCSGOJROFP-UHFFFAOYSA-N 0 3 316.449 3.596 20 30 DHEDHN C#CCSCCN[C@@H](C)c1ccc(F)cc1Br ZINC000222113603 1026058910 /nfs/dbraw/zinc/05/89/10/1026058910.db2.gz MHHMZTNOJZJTIO-JTQLQIEISA-N 0 3 316.239 3.605 20 30 DHEDHN C=CCCCCCCCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000807591174 1026095818 /nfs/dbraw/zinc/09/58/18/1026095818.db2.gz AUXQXCSTHZTRCX-SFHVURJKSA-N 0 3 319.493 3.559 20 30 DHEDHN CO[C@@H](CNCc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000532988013 1026165918 /nfs/dbraw/zinc/16/59/18/1026165918.db2.gz ZOYHEUZYRMSBDP-KRWDZBQOSA-N 0 3 318.779 3.828 20 30 DHEDHN CC[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(C)cc1 ZINC000120533887 1026216695 /nfs/dbraw/zinc/21/66/95/1026216695.db2.gz HKPXVCAFOJOTFJ-SFHVURJKSA-N 0 3 307.397 3.546 20 30 DHEDHN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)c(C)c1OC ZINC000808411426 1026282632 /nfs/dbraw/zinc/28/26/32/1026282632.db2.gz YPRFWJPUERFIRL-SFHVURJKSA-N 0 3 322.408 3.661 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000809604910 1026561817 /nfs/dbraw/zinc/56/18/17/1026561817.db2.gz UHJVIOZHIOFHNR-UHFFFAOYSA-N 0 3 309.409 3.754 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OC)c(OC(F)F)c2)cc1 ZINC000809603846 1026573452 /nfs/dbraw/zinc/57/34/52/1026573452.db2.gz KOJXPHAGNPPELV-UHFFFAOYSA-N 0 3 317.335 3.568 20 30 DHEDHN C#C[C@H](C)NCc1cc(Br)cc(C(F)(F)F)c1 ZINC000809682862 1026591213 /nfs/dbraw/zinc/59/12/13/1026591213.db2.gz GNGRKLRLKZTFJV-QMMMGPOBSA-N 0 3 306.125 3.579 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000419844637 1026767776 /nfs/dbraw/zinc/76/77/76/1026767776.db2.gz ZWIGLQCRRNCZFC-CYBMUJFWSA-N 0 3 313.426 3.995 20 30 DHEDHN N#Cc1cccc(OCCN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420940579 1026884724 /nfs/dbraw/zinc/88/47/24/1026884724.db2.gz DRDAUGNAHDAZKL-AWEZNQCLSA-N 0 3 312.335 3.601 20 30 DHEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NNC[C@H]1CCSC1 ZINC000811658223 1027044326 /nfs/dbraw/zinc/04/43/26/1027044326.db2.gz DILBSWSMJGZHOS-BQYPHSCFSA-N 0 3 315.486 3.626 20 30 DHEDHN Fc1ccc(CCN2CCC(=NOC/C=C\Cl)CC2)cc1 ZINC000811668773 1027058105 /nfs/dbraw/zinc/05/81/05/1027058105.db2.gz JRKQTQCLEQIUGV-OQYWKCLKSA-N 0 3 310.800 3.589 20 30 DHEDHN Cc1nn(C)c2sc([C@@H](C)NCc3ccc(C#N)s3)cc12 ZINC000421878102 1027078267 /nfs/dbraw/zinc/07/82/67/1027078267.db2.gz LQCTXLOXVXYZLG-SNVBAGLBSA-N 0 3 316.455 3.727 20 30 DHEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1COc1ccccc1 ZINC001170649480 1027135131 /nfs/dbraw/zinc/13/51/31/1027135131.db2.gz DJBARNDEVFUDTK-SFHVURJKSA-N 0 3 322.408 3.610 20 30 DHEDHN CC1CCC(Oc2cc(CN[C@H]3CC[C@@H](C#N)C3)ccn2)CC1 ZINC000573066543 1027257144 /nfs/dbraw/zinc/25/71/44/1027257144.db2.gz BXHWBOUZMSYLDK-AUCMRZJMSA-N 0 3 313.445 3.821 20 30 DHEDHN Cc1cc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)ccc1C#N ZINC000931910224 1027300193 /nfs/dbraw/zinc/30/01/93/1027300193.db2.gz BVUYZUXETJHULF-CQSZACIVSA-N 0 3 312.310 3.733 20 30 DHEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@H](C#N)CCC#N ZINC000574444923 1027394970 /nfs/dbraw/zinc/39/49/70/1027394970.db2.gz HWQKOSWQDMTXRS-TZMCWYRMSA-N 0 3 309.335 3.670 20 30 DHEDHN C#C[C@H](N[C@H]1CCN([C@H](C)c2ccccc2)C1)c1ccc(F)cc1 ZINC000812792587 1027401777 /nfs/dbraw/zinc/40/17/77/1027401777.db2.gz DWOAUUIBVYDAEO-CZAAIQMYSA-N 0 3 322.427 3.925 20 30 DHEDHN CC(C)(O)c1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000295787365 1027431441 /nfs/dbraw/zinc/43/14/41/1027431441.db2.gz UVTCIRUZNXQBBG-UHFFFAOYSA-N 0 3 306.409 3.565 20 30 DHEDHN C=CCN(CCCc1cnn(C)c1)Cc1ccc(Cl)s1 ZINC000047660213 1027659396 /nfs/dbraw/zinc/65/93/96/1027659396.db2.gz MYMCBWFGHKWJNI-UHFFFAOYSA-N 0 3 309.866 3.756 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H](C3CCOCC3)C2)c(Cl)c1 ZINC000933081755 1027672444 /nfs/dbraw/zinc/67/24/44/1027672444.db2.gz PSDSCYUSHWJIQR-INIZCTEOSA-N 0 3 318.848 3.850 20 30 DHEDHN N#Cc1cc(Cl)cc(CN2CCC[C@H](C3CCOCC3)C2)c1 ZINC000933089306 1027674707 /nfs/dbraw/zinc/67/47/07/1027674707.db2.gz QNDAWPGWTHHYOW-KRWDZBQOSA-N 0 3 318.848 3.850 20 30 DHEDHN C=CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000600683152 1027784448 /nfs/dbraw/zinc/78/44/48/1027784448.db2.gz OFRWAZKUGPCJFD-KBPBESRZSA-N 0 3 320.864 3.804 20 30 DHEDHN C=CCOc1cccc(CN[C@H](c2ccc(OC)nc2)C2CC2)c1 ZINC000527838351 1027915791 /nfs/dbraw/zinc/91/57/91/1027915791.db2.gz BZJQWPVIEYHAGU-FQEVSTJZSA-N 0 3 324.424 3.896 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000365488066 1027954472 /nfs/dbraw/zinc/95/44/72/1027954472.db2.gz CVWFZESQFHXKAZ-XJKSGUPXSA-N 0 3 314.820 3.698 20 30 DHEDHN C[C@H](Nc1ccc(/N=C/N(C)C)c(C#N)c1)c1cccc(N)c1 ZINC001170735169 1027964452 /nfs/dbraw/zinc/96/44/52/1027964452.db2.gz NVNLRFUVUZEEKI-XMOVILSBSA-N 0 3 307.401 3.535 20 30 DHEDHN N#CC1(c2ccc(CNCc3cccc4c3CCOC4)cc2)CC1 ZINC000601152716 1028005379 /nfs/dbraw/zinc/00/53/79/1028005379.db2.gz QTLNFSPFJLECPP-UHFFFAOYSA-N 0 3 318.420 3.604 20 30 DHEDHN COc1ccc([C@H](N[C@@H](C)c2cccc(C#N)c2)C2CC2)cn1 ZINC000528042230 1028057185 /nfs/dbraw/zinc/05/71/85/1028057185.db2.gz DSBYNOQYLGXPEO-ORAYPTAESA-N 0 3 307.397 3.764 20 30 DHEDHN CC(=O)c1ccc(C#N)c(NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000528118918 1028116509 /nfs/dbraw/zinc/11/65/09/1028116509.db2.gz SLRKNILOCIYHPL-SFHVURJKSA-N 0 3 311.429 3.580 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@](O)(c3ccccc3)CC2)cc1F ZINC000368055991 1028292050 /nfs/dbraw/zinc/29/20/50/1028292050.db2.gz JQTDYPXBWQZWCZ-HXUWFJFHSA-N 0 3 324.399 3.571 20 30 DHEDHN CCOC(=O)C1(C#N)CCN([C@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258073993 1028313288 /nfs/dbraw/zinc/31/32/88/1028313288.db2.gz HJIMDSFCZAMCRL-JKSUJKDBSA-N 0 3 308.466 3.616 20 30 DHEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CC2)ccc1N(C)C ZINC000815083089 1028356789 /nfs/dbraw/zinc/35/67/89/1028356789.db2.gz HPISQRSARCNWMZ-UHFFFAOYSA-N 0 3 305.425 3.712 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC(C)C)nc2)cc1 ZINC000160053585 1028413719 /nfs/dbraw/zinc/41/37/19/1028413719.db2.gz UERZZQPWAFRAQS-INIZCTEOSA-N 0 3 324.424 3.732 20 30 DHEDHN CC[C@H](c1ccccc1O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000369509533 1028497798 /nfs/dbraw/zinc/49/77/98/1028497798.db2.gz KVKPUGPUHIYHQG-UYAOXDASSA-N 0 3 322.408 3.788 20 30 DHEDHN Cc1cscc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000369647824 1028512380 /nfs/dbraw/zinc/51/23/80/1028512380.db2.gz KOQXIKSFRRDIEG-UHFFFAOYSA-N 0 3 322.437 3.619 20 30 DHEDHN COc1cc(CN[C@H]2CCCc3c(F)cccc32)ccc1C#N ZINC000449351706 1028564701 /nfs/dbraw/zinc/56/47/01/1028564701.db2.gz QWWNAOLQLGTWHL-SFHVURJKSA-N 0 3 310.372 3.873 20 30 DHEDHN COCC[C@@H](C)N[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370663052 1028632866 /nfs/dbraw/zinc/63/28/66/1028632866.db2.gz RBXDWBKPXBAKQA-OLZOCXBDSA-N 0 3 315.442 3.757 20 30 DHEDHN N#CC(C(=O)CCc1cncs1)c1ccc2ccccc2n1 ZINC000815900325 1028651348 /nfs/dbraw/zinc/65/13/48/1028651348.db2.gz YHHDDVDJHFMTEF-AWEZNQCLSA-N 0 3 307.378 3.500 20 30 DHEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)C(C)(F)F ZINC000815922477 1028651517 /nfs/dbraw/zinc/65/15/17/1028651517.db2.gz PUAWMOWDHDVVDH-GXSJLCMTSA-N 0 3 321.352 3.673 20 30 DHEDHN C[C@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)(F)F ZINC000815941594 1028659213 /nfs/dbraw/zinc/65/92/13/1028659213.db2.gz HQJPUURIBOFOEX-VXNVDRBHSA-N 0 3 312.316 3.903 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCCC23CCCCC3)CC1 ZINC000371165609 1028673625 /nfs/dbraw/zinc/67/36/25/1028673625.db2.gz NCJLNGHEAMYSFM-UHFFFAOYSA-N 0 3 319.493 3.535 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2csc3c2CCCC3)nc(C)n1 ZINC000041574673 1028758472 /nfs/dbraw/zinc/75/84/72/1028758472.db2.gz MWMSHHFBMRLZBN-CYBMUJFWSA-N 0 3 311.410 3.524 20 30 DHEDHN C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)c1ccc(C#N)s1 ZINC000372511286 1028867721 /nfs/dbraw/zinc/86/77/21/1028867721.db2.gz GHVZTIABJAMEBB-CYBMUJFWSA-N 0 3 322.437 3.871 20 30 DHEDHN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000372751463 1028892269 /nfs/dbraw/zinc/89/22/69/1028892269.db2.gz LSWXBJATBOROMN-IBGZPJMESA-N 0 3 322.456 3.867 20 30 DHEDHN C=C(C)CN1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816547448 1028928805 /nfs/dbraw/zinc/92/88/05/1028928805.db2.gz WTAOSXUDIBWKJA-UHFFFAOYSA-N 0 3 310.441 3.676 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000816651224 1028975151 /nfs/dbraw/zinc/97/51/51/1028975151.db2.gz ZPNVUGFGOTZFIO-UHFFFAOYSA-N 0 3 305.299 3.698 20 30 DHEDHN N#CC1(CCN2CCCC[C@@H]2[C@H](O)C(F)(F)F)CCCCC1 ZINC000411420580 1029124835 /nfs/dbraw/zinc/12/48/35/1029124835.db2.gz QQTBVTIJCKKOSC-KGLIPLIRSA-N 0 3 318.383 3.628 20 30 DHEDHN Cc1cccc(C(=O)C(C#N)c2cnc3ccccc3n2)c1C ZINC000190909827 1029209167 /nfs/dbraw/zinc/20/91/67/1029209167.db2.gz AMMMXYRCNYOKGB-HNNXBMFYSA-N 0 3 301.349 3.737 20 30 DHEDHN Cc1scc(CNCc2ccc(O[C@H](C)C#N)cc2)c1C ZINC000865680248 1029973342 /nfs/dbraw/zinc/97/33/42/1029973342.db2.gz USBNBXCXTFUUNY-GFCCVEGCSA-N 0 3 300.427 3.946 20 30 DHEDHN N#Cc1ccccc1N1CCC(NCc2ccc(Cl)o2)CC1 ZINC000865696629 1029977616 /nfs/dbraw/zinc/97/76/16/1029977616.db2.gz IDYCENNOKFVEKN-UHFFFAOYSA-N 0 3 315.804 3.563 20 30 DHEDHN CC[C@@H](Cc1cn(C)c2ccccc12)NCc1nc(C#N)cs1 ZINC000865698539 1029979056 /nfs/dbraw/zinc/97/90/56/1029979056.db2.gz OTYWUHXBLVNZJW-AWEZNQCLSA-N 0 3 324.453 3.617 20 30 DHEDHN Cc1ncc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)s1 ZINC000865700979 1029982040 /nfs/dbraw/zinc/98/20/40/1029982040.db2.gz DRTFUXMFXJCQDV-CYBMUJFWSA-N 0 3 314.458 3.652 20 30 DHEDHN N#CC1CCC(NCC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001256958751 1029986492 /nfs/dbraw/zinc/98/64/92/1029986492.db2.gz NBTAVPXOMLEEAX-UHFFFAOYSA-N 0 3 311.212 3.848 20 30 DHEDHN C=CC[C@H]1CC[C@H](NCc2ncc(Br)s2)C1 ZINC000865850075 1030057371 /nfs/dbraw/zinc/05/73/71/1030057371.db2.gz UFLCHUQGODVVJW-UWVGGRQHSA-N 0 3 301.253 3.740 20 30 DHEDHN COc1cccc([C@H]2C[C@H](N(C)CC#Cc3ccccc3)C2)c1 ZINC000452016879 1030094016 /nfs/dbraw/zinc/09/40/16/1030094016.db2.gz MCYFOISSLFRVHW-MXVIHJGJSA-N 0 3 305.421 3.925 20 30 DHEDHN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[C@H](C)C1 ZINC000452060608 1030110149 /nfs/dbraw/zinc/11/01/49/1030110149.db2.gz DXWOUWREHFWVBU-DZKIICNBSA-N 0 3 324.428 3.913 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(OC2CCCC2)nc1 ZINC000924704221 1030166193 /nfs/dbraw/zinc/16/61/93/1030166193.db2.gz MLNLZFBUGGNGKF-CQSZACIVSA-N 0 3 301.434 3.821 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](CC)C1 ZINC000533224680 1030204091 /nfs/dbraw/zinc/20/40/91/1030204091.db2.gz WPTVHKKFBMGFOI-HZPDHXFCSA-N 0 3 320.502 3.773 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cnc(C)s2)cc1 ZINC000866454094 1030304844 /nfs/dbraw/zinc/30/48/44/1030304844.db2.gz FAKHHLQCDACEQL-QWHCGFSZSA-N 0 3 300.427 3.875 20 30 DHEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1nc2c(s1)CCCC2 ZINC000866617927 1030407281 /nfs/dbraw/zinc/40/72/81/1030407281.db2.gz RKIPSOGXGQPWQH-LRDDRELGSA-N 0 3 323.465 3.712 20 30 DHEDHN C=CC[C@@H](CO)CN[C@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000925692706 1030456446 /nfs/dbraw/zinc/45/64/46/1030456446.db2.gz AFEDSGVTCYPLRD-YLJYHZDGSA-N 0 3 310.441 3.562 20 30 DHEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000121765586 1030475359 /nfs/dbraw/zinc/47/53/59/1030475359.db2.gz NMCZGTUVQGBSAS-YOEHRIQHSA-N 0 3 314.429 3.537 20 30 DHEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000121765750 1030475733 /nfs/dbraw/zinc/47/57/33/1030475733.db2.gz NMCZGTUVQGBSAS-PBHICJAKSA-N 0 3 314.429 3.537 20 30 DHEDHN C[C@@H](NC[C@@H](c1ccsc1)N(C)C)c1ccc(C#N)cc1F ZINC000358556568 1030534202 /nfs/dbraw/zinc/53/42/02/1030534202.db2.gz MMRWEJMBCSQOGB-PXAZEXFGSA-N 0 3 317.433 3.712 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000824690907 1030612923 /nfs/dbraw/zinc/61/29/23/1030612923.db2.gz PMIMPSMHKTWKGK-KBPBESRZSA-N 0 3 302.805 3.524 20 30 DHEDHN COc1ccc(CN[C@H]2CCCc3cc(F)ccc32)cc1C#N ZINC000122405847 1030700304 /nfs/dbraw/zinc/70/03/04/1030700304.db2.gz OJOPCIGVLMBPSO-SFHVURJKSA-N 0 3 310.372 3.873 20 30 DHEDHN COc1ncc(CN2CCC(c3ccc(C#N)cc3)CC2)cc1C ZINC001137007628 1030756758 /nfs/dbraw/zinc/75/67/58/1030756758.db2.gz HQAHLWRZKUSRJO-UHFFFAOYSA-N 0 3 321.424 3.650 20 30 DHEDHN Cc1noc(C)c1[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000179225190 1030880782 /nfs/dbraw/zinc/88/07/82/1030880782.db2.gz KHTNZHQAGUHJFF-GXFFZTMASA-N 0 3 323.352 3.803 20 30 DHEDHN C=CCC[C@H](NCc1nc2c(s1)CCCC2)[C@H]1CCCO1 ZINC000926921107 1030998165 /nfs/dbraw/zinc/99/81/65/1030998165.db2.gz YZISLWZWUWZFAI-DZGCQCFKSA-N 0 3 306.475 3.625 20 30 DHEDHN C=CCCC1(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000359534738 1031012797 /nfs/dbraw/zinc/01/27/97/1031012797.db2.gz BXQPMUJGPBDEFW-CABCVRRESA-N 0 3 304.434 3.571 20 30 DHEDHN Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1C#N ZINC000926966756 1031018729 /nfs/dbraw/zinc/01/87/29/1031018729.db2.gz MXIWINMEPKTCPC-HXUWFJFHSA-N 0 3 301.393 3.906 20 30 DHEDHN Cc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1C#N ZINC000926962407 1031019001 /nfs/dbraw/zinc/01/90/01/1031019001.db2.gz LVMCPZKWVAVIEA-KRWDZBQOSA-N 0 3 307.353 3.552 20 30 DHEDHN CC[C@@H](Cc1cn(C)c2ccccc12)NC[C@H](C#N)CCC#N ZINC000871906734 1031380607 /nfs/dbraw/zinc/38/06/07/1031380607.db2.gz FXRMVUDRLOUVJF-RDJZCZTQSA-N 0 3 308.429 3.533 20 30 DHEDHN CN(CCOc1ccc(F)cc1Cl)Cc1cccc(C#N)c1 ZINC000536687501 1031393772 /nfs/dbraw/zinc/39/37/72/1031393772.db2.gz CNQNMWMYKQZWCO-UHFFFAOYSA-N 0 3 318.779 3.862 20 30 DHEDHN N#Cc1cccc(CN[C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000293478781 1031485396 /nfs/dbraw/zinc/48/53/96/1031485396.db2.gz RBQREDSSTKIRAB-FXAWDEMLSA-N 0 3 324.399 3.955 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1nc2ccccc2s1 ZINC001171174837 1031541526 /nfs/dbraw/zinc/54/15/26/1031541526.db2.gz DNUYEYQJFDVKSM-CYBMUJFWSA-N 0 3 307.422 3.889 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cc(F)cc(F)c1F ZINC001171178663 1031569964 /nfs/dbraw/zinc/56/99/64/1031569964.db2.gz JFPSTLOMTNWHNA-LLVKDONJSA-N 0 3 304.315 3.696 20 30 DHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCOCC2)c(F)c1 ZINC000772922161 1031588896 /nfs/dbraw/zinc/58/88/96/1031588896.db2.gz XVXBTTSIFIBIJZ-FQEVSTJZSA-N 0 3 324.399 3.955 20 30 DHEDHN Cc1c2nc[nH]c2ccc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171184304 1031595079 /nfs/dbraw/zinc/59/50/79/1031595079.db2.gz JSHXGXMBSMCQAM-UHFFFAOYSA-N 0 3 316.364 3.767 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1cnc(Cl)cc1Cl ZINC001171185558 1031609083 /nfs/dbraw/zinc/60/90/83/1031609083.db2.gz QQICYSHZJGRGMJ-LLVKDONJSA-N 0 3 320.223 3.981 20 30 DHEDHN CN(CCCCC1(C#N)CCC1)Cc1ccc([S@@](C)=O)cc1 ZINC000929799398 1031612424 /nfs/dbraw/zinc/61/24/24/1031612424.db2.gz MBUYFMFROXKGIW-JOCHJYFZSA-N 0 3 318.486 3.720 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000124152315 1031628256 /nfs/dbraw/zinc/62/82/56/1031628256.db2.gz SRBFIPWLCKFEKL-SJPXOZHESA-N 0 3 304.434 3.615 20 30 DHEDHN Cn1ncc(C2CC2)c1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000897589419 1031664836 /nfs/dbraw/zinc/66/48/36/1031664836.db2.gz XONQHLGRTBGNTA-UHFFFAOYSA-N 0 3 320.440 3.549 20 30 DHEDHN CC[C@@H](C)n1ncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000361195355 1031783687 /nfs/dbraw/zinc/78/36/87/1031783687.db2.gz ZTKGMXCZFAXSKL-DGCLKSJQSA-N 0 3 321.384 3.529 20 30 DHEDHN Cc1cc(Cl)cc(CN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000846008825 1031805173 /nfs/dbraw/zinc/80/51/73/1031805173.db2.gz YDMAMRSIEVDALB-SFHVURJKSA-N 0 3 314.816 3.686 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@H]1COCc1ccccc1 ZINC001171221316 1031958701 /nfs/dbraw/zinc/95/87/01/1031958701.db2.gz KNKSGHJEMXIYSK-UWJYYQICSA-N 0 3 320.436 3.780 20 30 DHEDHN N#Cc1cnc(Cl)c(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000877550665 1033351527 /nfs/dbraw/zinc/35/15/27/1033351527.db2.gz ZZKMNTCQUUZYMW-SAZUREKKSA-N 0 3 315.779 3.782 20 30 DHEDHN CN(CCCC(C)(C)C#N)Cc1cc(Br)cn1C ZINC000151572162 1033467463 /nfs/dbraw/zinc/46/74/63/1033467463.db2.gz ZLBCBQZGBDQJHQ-UHFFFAOYSA-N 0 3 312.255 3.549 20 30 DHEDHN C[C@H](Cc1ccc(OC(F)(F)F)cc1)NCC1(C#N)CCC1 ZINC001173074368 1033527880 /nfs/dbraw/zinc/52/78/80/1033527880.db2.gz UDSVTVNOQIEHQX-GFCCVEGCSA-N 0 3 312.335 3.800 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](c2ccco2)C1)c1ccccc1 ZINC000878094759 1033577546 /nfs/dbraw/zinc/57/75/46/1033577546.db2.gz YDPLODZJHIPXAM-YLJYHZDGSA-N 0 3 322.408 3.510 20 30 DHEDHN CC1(C#N)CCC(N2CCN(c3ccc(F)c(F)c3)CC2)CC1 ZINC001173592156 1033780947 /nfs/dbraw/zinc/78/09/47/1033780947.db2.gz IIFUMNJKGBUEKE-UHFFFAOYSA-N 0 3 319.399 3.559 20 30 DHEDHN CC(=O)Oc1ccc(C2CCC(N[C@@H](C)CC#N)CC2)cc1 ZINC001173787022 1033866223 /nfs/dbraw/zinc/86/62/23/1033866223.db2.gz VIPUAXULZRQQOX-KTAKPFMOSA-N 0 3 300.402 3.530 20 30 DHEDHN C[NH+](C)[C@H]1CCCC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863125093 1034001095 /nfs/dbraw/zinc/00/10/95/1034001095.db2.gz MXNRUFHUOCQKJO-LBPRGKRZSA-N 0 3 315.446 3.564 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC2CCCC2)cc1 ZINC000128370009 1034042466 /nfs/dbraw/zinc/04/24/66/1034042466.db2.gz PFCGNXSKTOSAPE-QGZVFWFLSA-N 0 3 312.413 3.867 20 30 DHEDHN N#Cc1c(F)cccc1CN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000794549536 1034184834 /nfs/dbraw/zinc/18/48/34/1034184834.db2.gz XGXZCZAAMMLSDW-OAHLLOKOSA-N 0 3 300.764 3.608 20 30 DHEDHN COc1cc2c(cc1OC)[C@@H](C)N(CCCC(C)(C)C#N)CC2 ZINC000880091522 1034207505 /nfs/dbraw/zinc/20/75/05/1034207505.db2.gz YNPVGKBFCTZZQZ-CQSZACIVSA-N 0 3 316.445 3.953 20 30 DHEDHN Cn1cc(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)cc1C#N ZINC000480364629 1034213399 /nfs/dbraw/zinc/21/33/99/1034213399.db2.gz RIVFCLFCSXMQSZ-OAHLLOKOSA-N 0 3 320.223 3.981 20 30 DHEDHN C=CCCC[C@@H](NCC(=O)Nc1cc(C)no1)c1ccccc1 ZINC000880387460 1034318190 /nfs/dbraw/zinc/31/81/90/1034318190.db2.gz ABRPTFUONFTDIZ-MRXNPFEDSA-N 0 3 313.401 3.609 20 30 DHEDHN N#Cc1ccc(CN2CCC(Nc3cccc(C#N)c3)CC2)cc1 ZINC000183374880 1034381481 /nfs/dbraw/zinc/38/14/81/1034381481.db2.gz FZQIXEJLOWPYRD-UHFFFAOYSA-N 0 3 316.408 3.506 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CCC(C)(C)O2)c([O-])c1 ZINC000777402990 1034444067 /nfs/dbraw/zinc/44/40/67/1034444067.db2.gz VEKUBDYXMKDSBN-BKAYVGFPSA-N 0 3 304.434 3.615 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCC(C)(C)O2)c([O-])c1 ZINC000777402993 1034444439 /nfs/dbraw/zinc/44/44/39/1034444439.db2.gz VEKUBDYXMKDSBN-QUYZQLMHSA-N 0 3 304.434 3.615 20 30 DHEDHN C[C@H](O)CN(Cc1ccc(Cl)cc1C#N)C1CCCCC1 ZINC000480773267 1034445379 /nfs/dbraw/zinc/44/53/79/1034445379.db2.gz WICFNOODMHJIFO-ZDUSSCGKSA-N 0 3 306.837 3.727 20 30 DHEDHN CCCCCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000128475905 1034488037 /nfs/dbraw/zinc/48/80/37/1034488037.db2.gz AGMMQOZYXBCLOL-MRXNPFEDSA-N 0 3 300.402 3.867 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000185511876 1034554317 /nfs/dbraw/zinc/55/43/17/1034554317.db2.gz QUNOMFBGLWUGTE-INIZCTEOSA-N 0 3 306.409 3.603 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000187190866 1034695779 /nfs/dbraw/zinc/69/57/79/1034695779.db2.gz GKEDUCYIFGPSNK-CRAIPNDOSA-N 0 3 300.446 3.562 20 30 DHEDHN C=CCOc1cccc(CNCc2ccc(C(C)(C)O)cc2)c1 ZINC000187509015 1034710712 /nfs/dbraw/zinc/71/07/12/1034710712.db2.gz WVKFNPRQCUSLJD-UHFFFAOYSA-N 0 3 311.425 3.769 20 30 DHEDHN COc1ccc(C#N)c(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175506067 1035015463 /nfs/dbraw/zinc/01/54/63/1035015463.db2.gz MOVNRAARYRGRBX-UHFFFAOYSA-N 0 3 319.408 3.769 20 30 DHEDHN COc1cccc(C#N)c1NC1=CCN(Cc2ccccc2)CC1 ZINC001175505469 1035016815 /nfs/dbraw/zinc/01/68/15/1035016815.db2.gz DDNMXWKOEHEPFI-UHFFFAOYSA-N 0 3 319.408 3.769 20 30 DHEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)cc3F)cc2)CC1 ZINC001175780738 1035119205 /nfs/dbraw/zinc/11/92/05/1035119205.db2.gz LWRKSFNFEUSIET-UHFFFAOYSA-N 0 3 324.403 3.583 20 30 DHEDHN CCN1CCN(c2ccc(Nc3csc(C#N)c3)cc2)CC1 ZINC001175782167 1035119686 /nfs/dbraw/zinc/11/96/86/1035119686.db2.gz ONFBXKUKTJVJKF-UHFFFAOYSA-N 0 3 312.442 3.505 20 30 DHEDHN C[C@@]1(c2ccc(F)cc2)CCN(Cc2ccc(C#N)s2)C1 ZINC000482560019 1035135038 /nfs/dbraw/zinc/13/50/38/1035135038.db2.gz SPHLQUZCEIGEHZ-QGZVFWFLSA-N 0 3 300.402 3.922 20 30 DHEDHN CC(C)[C@@H](CO)N(CC#Cc1ccccc1)Cc1ccccc1 ZINC000483952084 1035310945 /nfs/dbraw/zinc/31/09/45/1035310945.db2.gz GYUOMHDVKVDOOG-OAQYLSRUSA-N 0 3 307.437 3.557 20 30 DHEDHN CC(C)[C@H](NCC#Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000484073655 1035316530 /nfs/dbraw/zinc/31/65/30/1035316530.db2.gz JEFCUYKHRPZBSJ-NRFANRHFSA-N 0 3 321.420 3.796 20 30 DHEDHN C=CCC[C@H]1CCC[N@H+]1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001176771746 1035330420 /nfs/dbraw/zinc/33/04/20/1035330420.db2.gz TZPJVUAHVKKWJY-HNNXBMFYSA-N 0 3 313.397 3.738 20 30 DHEDHN C=CCC[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001176771746 1035330422 /nfs/dbraw/zinc/33/04/22/1035330422.db2.gz TZPJVUAHVKKWJY-HNNXBMFYSA-N 0 3 313.397 3.738 20 30 DHEDHN C=CCCn1cc(CNC[C@@H]2CCCC[C@@H]2C(C)(C)C)nn1 ZINC001177580225 1035381570 /nfs/dbraw/zinc/38/15/70/1035381570.db2.gz BIMWWKDOIRWROR-RDJZCZTQSA-N 0 3 304.482 3.796 20 30 DHEDHN CC(C)(C)Cc1cc(NC(=O)C(C#N)Cc2cccs2)on1 ZINC001177905304 1035397737 /nfs/dbraw/zinc/39/77/37/1035397737.db2.gz XVXHBCNBCPQSPJ-LLVKDONJSA-N 0 3 317.414 3.646 20 30 DHEDHN N#CC(Cc1cccs1)C(=O)Nc1nc2ccccc2s1 ZINC001177903696 1035397850 /nfs/dbraw/zinc/39/78/50/1035397850.db2.gz FEHJHQMNOUTSHM-JTQLQIEISA-N 0 3 313.407 3.679 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(OCC)cc2C)cc1 ZINC001178754315 1035445808 /nfs/dbraw/zinc/44/58/08/1035445808.db2.gz JJUPUGJRBIEOMC-UHFFFAOYSA-N 0 3 309.409 3.696 20 30 DHEDHN N#CCc1ccc(CNCc2ccc(OC(F)F)cc2)cc1 ZINC001179024754 1035459729 /nfs/dbraw/zinc/45/97/29/1035459729.db2.gz PWTOGQYEWLDBJU-UHFFFAOYSA-N 0 3 302.324 3.644 20 30 DHEDHN Cn1cc(CNCc2ccc(CC#N)cc2)c(-c2cccs2)n1 ZINC001179028315 1035463280 /nfs/dbraw/zinc/46/32/80/1035463280.db2.gz OJOQTHHFUPMOAP-UHFFFAOYSA-N 0 3 322.437 3.504 20 30 DHEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1cccc2ccccc21)C1CC1 ZINC000176532250 1035544931 /nfs/dbraw/zinc/54/49/31/1035544931.db2.gz KSGLPTNJQOWHTL-MLGOLLRUSA-N 0 3 306.365 3.533 20 30 DHEDHN C#C[C@H](N[C@@H](CC)c1ccc(OC(F)F)cc1)[C@@H]1CCCO1 ZINC000775571650 1035569747 /nfs/dbraw/zinc/56/97/47/1035569747.db2.gz IXWDTXDDUUYFAE-JYJNAYRXSA-N 0 3 309.356 3.510 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191938287 1035741339 /nfs/dbraw/zinc/74/13/39/1035741339.db2.gz LLMMYBHQHKDYPB-UHFFFAOYSA-N 0 3 307.372 3.981 20 30 DHEDHN CC(C)C[C@H](C)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001193987145 1035788786 /nfs/dbraw/zinc/78/87/86/1035788786.db2.gz AUHWWUMVVAJANG-MAUKXSAKSA-N 0 3 319.880 3.957 20 30 DHEDHN CC(C)C[C@]1(CO)CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001194020633 1035803474 /nfs/dbraw/zinc/80/34/74/1035803474.db2.gz MDADTHXJJKNOAM-KRWDZBQOSA-N 0 3 306.837 3.585 20 30 DHEDHN N#Cc1ccc(CN(CCc2ccc(F)cc2)C2CC2)s1 ZINC000539832180 1035891940 /nfs/dbraw/zinc/89/19/40/1035891940.db2.gz LNNYEUONJCMXTK-UHFFFAOYSA-N 0 3 300.402 3.966 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2[C@H](C)[C@H](OC)C2(C)C)c([O-])c1 ZINC000775628803 1036098737 /nfs/dbraw/zinc/09/87/37/1036098737.db2.gz AFKONVKGMZORCD-OFEUNWGMSA-N 0 3 318.461 3.717 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CC2CCCCC2)CC1 ZINC000494908418 1036118592 /nfs/dbraw/zinc/11/85/92/1036118592.db2.gz JRFFIIRIMHQHMC-MRXNPFEDSA-N 0 3 321.509 3.685 20 30 DHEDHN CC[C@@H](N[C@@H]1CCCc2nc(C)ncc21)c1ccc(C#N)cc1 ZINC000774199817 1036218801 /nfs/dbraw/zinc/21/88/01/1036218801.db2.gz BFWTVCHCUFXXMY-IEBWSBKVSA-N 0 3 306.413 3.775 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC000914701328 1036249765 /nfs/dbraw/zinc/24/97/65/1036249765.db2.gz GGQJAAPZNRHRGE-PKIWBCANSA-N 0 3 324.424 3.661 20 30 DHEDHN CC[C@H](NCc1ccc(OC)c(C#N)c1)c1ccc(C#N)cc1 ZINC000774270908 1036268803 /nfs/dbraw/zinc/26/88/03/1036268803.db2.gz QVBNFTULLRLLPB-SFHVURJKSA-N 0 3 305.381 3.679 20 30 DHEDHN CC[C@@H](NCc1nnc(-c2ccccc2)[nH]1)c1ccc(C#N)cc1 ZINC000774311552 1036285359 /nfs/dbraw/zinc/28/53/59/1036285359.db2.gz FIWJBAFZZPTFJU-QGZVFWFLSA-N 0 3 317.396 3.584 20 30 DHEDHN CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1ccc(C#N)cc1 ZINC000774311552 1036285364 /nfs/dbraw/zinc/28/53/64/1036285364.db2.gz FIWJBAFZZPTFJU-QGZVFWFLSA-N 0 3 317.396 3.584 20 30 DHEDHN C=CCN(C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccco1 ZINC000495182110 1036320972 /nfs/dbraw/zinc/32/09/72/1036320972.db2.gz GONBWUJYRGVHDQ-YVMONPNESA-N 0 3 312.369 3.932 20 30 DHEDHN CCC(CC)CNN=C(C)c1ccc(N2CCCC2)cc1O ZINC000774465698 1036348799 /nfs/dbraw/zinc/34/87/99/1036348799.db2.gz WGDUWGIRNKRDPF-UHFFFAOYSA-N 0 3 303.450 3.742 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(OC3CCCCC3)nc2)C1 ZINC000613254681 1036349384 /nfs/dbraw/zinc/34/93/84/1036349384.db2.gz QYOUQJLAVJMEBL-NVXWUHKLSA-N 0 3 313.445 3.965 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\CCc2ccc(C)o2)c([O-])c1 ZINC000915115161 1036649333 /nfs/dbraw/zinc/64/93/33/1036649333.db2.gz ZVCHFGILDNZYNK-UYRXBGFRSA-N 0 3 300.402 3.801 20 30 DHEDHN COc1ccc(C#N)cc1CN(C)CCc1ccc(Cl)cc1 ZINC000492465654 1036883539 /nfs/dbraw/zinc/88/35/39/1036883539.db2.gz PAWGAGIWFJANJO-UHFFFAOYSA-N 0 3 314.816 3.895 20 30 DHEDHN C[C@@H]1CSCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000488229027 1036913871 /nfs/dbraw/zinc/91/38/71/1036913871.db2.gz ZBCFOXHMRONQQY-ZDUSSCGKSA-N 0 3 313.388 3.742 20 30 DHEDHN Cc1cc(CNCc2ccnc(N3CCCCC3)c2)ccc1C#N ZINC000443969294 1036940142 /nfs/dbraw/zinc/94/01/42/1036940142.db2.gz GWMJLSNTOGGXBK-UHFFFAOYSA-N 0 3 320.440 3.542 20 30 DHEDHN CC(C)[C@@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000492630541 1036947386 /nfs/dbraw/zinc/94/73/86/1036947386.db2.gz NKNWDKIFLLBHJP-CYBMUJFWSA-N 0 3 307.235 3.799 20 30 DHEDHN CO[C@@H](c1ccccc1F)[C@H](C)NCc1ccc(C#N)s1 ZINC000272072785 1036963515 /nfs/dbraw/zinc/96/35/15/1036963515.db2.gz PRAPMRDHEGMESN-MEDUHNTESA-N 0 3 304.390 3.625 20 30 DHEDHN C=CCCCN(CC)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001198458522 1037027073 /nfs/dbraw/zinc/02/70/73/1037027073.db2.gz SLAOHKBTLQCREU-QGZVFWFLSA-N 0 3 304.409 3.609 20 30 DHEDHN CC[C@H]1[C@H](C)CCN1Cc1cc(C#N)ccc1Br ZINC000492844690 1037031245 /nfs/dbraw/zinc/03/12/45/1037031245.db2.gz DRYSKRDCHPTFCW-ABAIWWIYSA-N 0 3 307.235 3.941 20 30 DHEDHN C[C@H]1CC[C@](CO)(NCc2ccc(CC#N)cc2)c2ccccc21 ZINC001198696831 1037099098 /nfs/dbraw/zinc/09/90/98/1037099098.db2.gz XFRIUBUEXMBGGT-HRAATJIYSA-N 0 3 320.436 3.627 20 30 DHEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000911644194 1037160615 /nfs/dbraw/zinc/16/06/15/1037160615.db2.gz ZVGVJLDIPAUNNT-JKSUJKDBSA-N 0 3 321.465 3.724 20 30 DHEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000912449190 1037396610 /nfs/dbraw/zinc/39/66/10/1037396610.db2.gz KJZWVKCNAVBJKD-ZDUSSCGKSA-N 0 3 301.390 3.573 20 30 DHEDHN N#Cc1ccc(CN2CCCC3(CCOCC3)C2)c(Cl)c1 ZINC000489422170 1037423796 /nfs/dbraw/zinc/42/37/96/1037423796.db2.gz FNGHOSLJIDIKBB-UHFFFAOYSA-N 0 3 304.821 3.604 20 30 DHEDHN C=C(Cl)CN(CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152620736 1037459644 /nfs/dbraw/zinc/45/96/44/1037459644.db2.gz LEAOOHMNWBIPEU-UHFFFAOYSA-N 0 3 316.873 3.850 20 30 DHEDHN COc1cccc(C2(NCc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000150897956 1037520719 /nfs/dbraw/zinc/52/07/19/1037520719.db2.gz LTTGXMVSOXHMOK-HNNXBMFYSA-N 0 3 322.408 3.765 20 30 DHEDHN Cc1c2cc(F)ccc2oc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000763242738 1037526273 /nfs/dbraw/zinc/52/62/73/1037526273.db2.gz RGKGDVBHFMMDDE-KRWDZBQOSA-N 0 3 324.355 3.575 20 30 DHEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1CCCC#N ZINC000493975634 1037603027 /nfs/dbraw/zinc/60/30/27/1037603027.db2.gz UPKXTRMYBBWXDS-HZPDHXFCSA-N 0 3 321.465 3.544 20 30 DHEDHN C=CC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccncc1 ZINC000776155836 1037606246 /nfs/dbraw/zinc/60/62/46/1037606246.db2.gz IZTIKWJVWIWUJN-DNVCBOLYSA-N 0 3 307.397 3.952 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1OCCc2ccccc21 ZINC000490363125 1037690103 /nfs/dbraw/zinc/69/01/03/1037690103.db2.gz GBBXUGAFKTUONA-YWZLYKJASA-N 0 3 306.409 3.865 20 30 DHEDHN COc1ccc(C(C)N=Nc2ccccn2)cc1CN1CCCC1 ZINC000916274089 1037727170 /nfs/dbraw/zinc/72/71/70/1037727170.db2.gz YGFKBPJQGUJCBJ-UHFFFAOYSA-N 0 3 324.428 3.522 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000185089268 1037778607 /nfs/dbraw/zinc/77/86/07/1037778607.db2.gz JPMVQYONWBADMS-INIZCTEOSA-N 0 3 314.473 3.542 20 30 DHEDHN CCCCCCCCCCCN1CCC(O)(C(=O)OC)CC1 ZINC001201631704 1037802451 /nfs/dbraw/zinc/80/24/51/1037802451.db2.gz YNPQHSLHUAQLHQ-UHFFFAOYSA-N 0 3 313.482 3.517 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2OCC(F)(F)F)C1 ZINC000185792818 1037840503 /nfs/dbraw/zinc/84/05/03/1037840503.db2.gz FLKDWQNIAUTOCW-TZMCWYRMSA-N 0 3 312.335 3.800 20 30 DHEDHN CCCCCCCN1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001201776626 1037904736 /nfs/dbraw/zinc/90/47/36/1037904736.db2.gz HITSFWQWGUTZJE-UHFFFAOYSA-N 0 3 319.493 3.675 20 30 DHEDHN CCCCCCCCCN1Cc2ccnn2C[C@H](COC)C1 ZINC001201847067 1037921168 /nfs/dbraw/zinc/92/11/68/1037921168.db2.gz RFUZLUWGMCRVML-QGZVFWFLSA-N 0 3 307.482 3.712 20 30 DHEDHN C#CCOc1ccccc1CNCCOc1cccc(Cl)c1 ZINC000916845880 1037995736 /nfs/dbraw/zinc/99/57/36/1037995736.db2.gz SRFWUPQVAGLAJD-UHFFFAOYSA-N 0 3 315.800 3.521 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccoc1C ZINC000916904147 1038031133 /nfs/dbraw/zinc/03/11/33/1038031133.db2.gz XJFJOLPFDPKNIP-INIZCTEOSA-N 0 3 324.380 3.674 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1occc1C ZINC000916909762 1038047589 /nfs/dbraw/zinc/04/75/89/1038047589.db2.gz UUBMSLQIGCYIFO-HNNXBMFYSA-N 0 3 324.380 3.674 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000126229132 1038049838 /nfs/dbraw/zinc/04/98/38/1038049838.db2.gz QPDHCNLAEMTGRX-ZIAGYGMSSA-N 0 3 306.837 3.580 20 30 DHEDHN CC[C@@H](C)N(CC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000595593038 1038205470 /nfs/dbraw/zinc/20/54/70/1038205470.db2.gz MNWSTZYFYOGYEY-CQSZACIVSA-N 0 3 321.852 3.707 20 30 DHEDHN C#CCN(CCOc1ccccc1OC)[C@@H]1CCc2ccccc21 ZINC000917118927 1038218936 /nfs/dbraw/zinc/21/89/36/1038218936.db2.gz KGMLHPSEZAMQDF-LJQANCHMSA-N 0 3 321.420 3.697 20 30 DHEDHN COc1ccc(O)c([C@H](C)NCC#Cc2ccccc2Cl)c1 ZINC000775369976 1038287971 /nfs/dbraw/zinc/28/79/71/1038287971.db2.gz JNNJUFSTHMGUCI-ZDUSSCGKSA-N 0 3 315.800 3.757 20 30 DHEDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000775396388 1038340892 /nfs/dbraw/zinc/34/08/92/1038340892.db2.gz WLWZTYQGPLOLCN-ICSRJNTNSA-N 0 3 318.424 3.701 20 30 DHEDHN C=CC[C@@H](C)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC001190994656 1038423844 /nfs/dbraw/zinc/42/38/44/1038423844.db2.gz JQIBWSLDPVCKSI-RDTXWAMCSA-N 0 3 308.416 3.998 20 30 DHEDHN COc1cc(CNCc2cccn2CCC(C)C)ccc1C#N ZINC000589324887 1038459649 /nfs/dbraw/zinc/45/96/49/1038459649.db2.gz BJFANHDUNWGSQP-UHFFFAOYSA-N 0 3 311.429 3.704 20 30 DHEDHN N#Cc1cncc(CN2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC001191408368 1038498933 /nfs/dbraw/zinc/49/89/33/1038498933.db2.gz ORWGBNVEGCYNMV-OAQYLSRUSA-N 0 3 317.436 3.823 20 30 DHEDHN CCOC(=O)CCN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC001203758236 1038654064 /nfs/dbraw/zinc/65/40/64/1038654064.db2.gz UWKONTARDJCSQX-UHFFFAOYSA-N 0 3 322.408 3.514 20 30 DHEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@H](O)c1cccc(C#N)c1 ZINC001192758909 1038700799 /nfs/dbraw/zinc/70/07/99/1038700799.db2.gz VDSLLVYJPDAASO-KXBFYZLASA-N 0 3 324.424 3.730 20 30 DHEDHN CN(C(=O)CCN[C@@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000591024858 1038749269 /nfs/dbraw/zinc/74/92/69/1038749269.db2.gz AJKVYDJKOJHLSB-IBGZPJMESA-N 0 3 321.424 3.674 20 30 DHEDHN C=C(C)[C@@H](NC[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187792015 1039018731 /nfs/dbraw/zinc/01/87/31/1039018731.db2.gz GIUPIRVHQLUSKY-QZTJIDSGSA-N 0 3 303.352 3.905 20 30 DHEDHN C=C(CC)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132266 1039122500 /nfs/dbraw/zinc/12/25/00/1039122500.db2.gz FXKVINNCQOPNKV-QAQDUYKDSA-N 0 3 318.417 3.667 20 30 DHEDHN Cc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C#N ZINC000599353523 1039131520 /nfs/dbraw/zinc/13/15/20/1039131520.db2.gz IMYUKVOXPAHGBQ-AWEZNQCLSA-N 0 3 309.369 3.934 20 30 DHEDHN Cc1ccc(C2CCN(Cc3ccc(C)c(C#N)c3)CC2)cn1 ZINC000599360983 1039139485 /nfs/dbraw/zinc/13/94/85/1039139485.db2.gz DDSXVQUEDVSLHC-UHFFFAOYSA-N 0 3 305.425 3.950 20 30 DHEDHN N#CCCC[C@H](NCc1cc(CO)ccc1F)c1ccccc1 ZINC000599426715 1039150536 /nfs/dbraw/zinc/15/05/36/1039150536.db2.gz NTNIJPPKVQHFJO-IBGZPJMESA-N 0 3 312.388 3.843 20 30 DHEDHN N#Cc1ccc(CN2CCC(OCc3ccccc3)CC2)cc1 ZINC000058452541 1039166616 /nfs/dbraw/zinc/16/66/16/1039166616.db2.gz SZYORYHPGQEEDR-UHFFFAOYSA-N 0 3 306.409 3.739 20 30 DHEDHN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(CC#N)cc1 ZINC000592391407 1039188205 /nfs/dbraw/zinc/18/82/05/1039188205.db2.gz FRNYFCFFSWZQIT-GOSISDBHSA-N 0 3 310.372 3.677 20 30 DHEDHN C=CC[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000599528859 1039198226 /nfs/dbraw/zinc/19/82/26/1039198226.db2.gz IBQQRVPVAULKEA-CYBMUJFWSA-N 0 3 313.357 3.648 20 30 DHEDHN Cc1cc(C)cc(-c2ccc(CN3CC[C@](O)(CC#N)C3)cc2)c1 ZINC000592522025 1039222524 /nfs/dbraw/zinc/22/25/24/1039222524.db2.gz GSFNSRRQOWTAGW-OAQYLSRUSA-N 0 3 320.436 3.821 20 30 DHEDHN Cc1ccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)n1C ZINC000592975286 1039314598 /nfs/dbraw/zinc/31/45/98/1039314598.db2.gz ABONYZWKMXJOBY-LLVKDONJSA-N 0 3 313.357 3.572 20 30 DHEDHN Cc1ccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)n1C ZINC000592975287 1039316650 /nfs/dbraw/zinc/31/66/50/1039316650.db2.gz ABONYZWKMXJOBY-NSHDSACASA-N 0 3 313.357 3.572 20 30 DHEDHN COc1ccc([C@@H](N[C@H]2CC[C@@H](CC#N)C2)c2ccccn2)cc1 ZINC000593713236 1039588696 /nfs/dbraw/zinc/58/86/96/1039588696.db2.gz YZVQAQZUQUISGW-RIFZZMRRSA-N 0 3 321.424 3.852 20 30 DHEDHN C=CC1CCN([C@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000604998627 1039600228 /nfs/dbraw/zinc/60/02/28/1039600228.db2.gz KVBOOMSTNPRCAX-SFHVURJKSA-N 0 3 316.420 3.528 20 30 DHEDHN CCC1(CC)CN(C(=O)[C@@H](N)CCCCC#N)c2ccccc21 ZINC000594436397 1039783046 /nfs/dbraw/zinc/78/30/46/1039783046.db2.gz HZGVCWNTAFEZOA-INIZCTEOSA-N 0 3 313.445 3.502 20 30 DHEDHN CC(C)CCc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594430676 1039783861 /nfs/dbraw/zinc/78/38/61/1039783861.db2.gz APRNHDONXGMKHR-QGZVFWFLSA-N 0 3 301.434 3.625 20 30 DHEDHN Cc1cccc([C@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)C)c1 ZINC000594433330 1039785785 /nfs/dbraw/zinc/78/57/85/1039785785.db2.gz NQOBPOAILPPVPK-SJORKVTESA-N 0 3 315.461 3.610 20 30 DHEDHN Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](N)CCCCC#N ZINC000594433149 1039785923 /nfs/dbraw/zinc/78/59/23/1039785923.db2.gz CLHRXSUSIBSOBT-MSOLQXFVSA-N 0 3 315.461 3.610 20 30 DHEDHN CC[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000594514392 1039821852 /nfs/dbraw/zinc/82/18/52/1039821852.db2.gz WFLMQXHKRVGEKD-PKOBYXMFSA-N 0 3 319.408 3.552 20 30 DHEDHN CC(=O)Nc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594518546 1039822792 /nfs/dbraw/zinc/82/27/92/1039822792.db2.gz HMUAVIHADMHHJD-UHFFFAOYSA-N 0 3 319.408 3.686 20 30 DHEDHN N#Cc1ccc(C2(NCc3ccc4[nH]cnc4c3)CCC2)cc1 ZINC000594520884 1039831671 /nfs/dbraw/zinc/83/16/71/1039831671.db2.gz QWPZMQUMIVLWQT-UHFFFAOYSA-N 0 3 302.381 3.604 20 30 DHEDHN C=CCOc1ccc(CNC(C)(C)C(=O)Nc2ccccc2)cc1 ZINC000594790179 1039913687 /nfs/dbraw/zinc/91/36/87/1039913687.db2.gz UHUYOWMWGJFAEP-UHFFFAOYSA-N 0 3 324.424 3.758 20 30 DHEDHN COCc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594920858 1039927348 /nfs/dbraw/zinc/92/73/48/1039927348.db2.gz BBYYEQXLWVEQTL-UHFFFAOYSA-N 0 3 306.409 3.678 20 30 DHEDHN CCCCSCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000172545741 1039930764 /nfs/dbraw/zinc/93/07/64/1039930764.db2.gz QCSMYFIVRSAJFY-LBPRGKRZSA-N 0 3 302.399 3.927 20 30 DHEDHN CC[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1c(C)nn(C)c1C ZINC000594929924 1039932231 /nfs/dbraw/zinc/93/22/31/1039932231.db2.gz PWJLXFIJVKVCQR-SFHVURJKSA-N 0 3 322.456 3.833 20 30 DHEDHN C[C@H](CSCCF)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000595024652 1039987328 /nfs/dbraw/zinc/98/73/28/1039987328.db2.gz BNVONWQSHMOPAN-GFCCVEGCSA-N 0 3 319.367 3.738 20 30 DHEDHN C=CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000606896524 1040018454 /nfs/dbraw/zinc/01/84/54/1040018454.db2.gz HGEWHHZYFDLCNV-UHFFFAOYSA-N 0 3 306.453 3.970 20 30 DHEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)C1CCCCC1 ZINC000595094320 1040078658 /nfs/dbraw/zinc/07/86/58/1040078658.db2.gz WQEFOEBYIWGJAL-ACJLOTCBSA-N 0 3 304.409 3.943 20 30 DHEDHN N#Cc1ccc(CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000595386229 1040131143 /nfs/dbraw/zinc/13/11/43/1040131143.db2.gz BXWMXFSTDAFVQO-UHFFFAOYSA-N 0 3 321.380 3.674 20 30 DHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(C(=O)OCC)cs1 ZINC000595602076 1040202549 /nfs/dbraw/zinc/20/25/49/1040202549.db2.gz HFDFKQDKPYSQAD-CHWSQXEVSA-N 0 3 308.447 3.544 20 30 DHEDHN COc1ccc([C@@H]2CCCN2CCCSCC#N)cc1F ZINC000595751000 1040239368 /nfs/dbraw/zinc/23/93/68/1040239368.db2.gz FDSDWIMJHVZFBR-HNNXBMFYSA-N 0 3 308.422 3.618 20 30 DHEDHN C=CCC1(NCc2nnc(-c3cccc(C#N)c3)o2)CCCC1 ZINC000595780213 1040254498 /nfs/dbraw/zinc/25/44/98/1040254498.db2.gz KTSAFHLVEOIDMZ-UHFFFAOYSA-N 0 3 308.385 3.587 20 30 DHEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000595877725 1040280297 /nfs/dbraw/zinc/28/02/97/1040280297.db2.gz JROIJSGYWSYYFJ-INIZCTEOSA-N 0 3 321.380 3.628 20 30 DHEDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1[O-] ZINC000761205418 1040588792 /nfs/dbraw/zinc/58/87/92/1040588792.db2.gz CVLZYPJBVLOYQQ-LLVKDONJSA-N 0 3 316.788 3.777 20 30 DHEDHN COC[C@@H](C)Oc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000596979381 1040614523 /nfs/dbraw/zinc/61/45/23/1040614523.db2.gz LAWOLYAYOGBSCF-MRXNPFEDSA-N 0 3 324.424 3.604 20 30 DHEDHN N#CC1(c2ccc(CN3CC4(CCC4)[C@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000597133467 1040658424 /nfs/dbraw/zinc/65/84/24/1040658424.db2.gz SQYFQCPWNYTORU-RBUKOAKNSA-N 0 3 322.452 3.775 20 30 DHEDHN COc1ccc(CC[C@@H](C)NCC2(C#N)CCCCC2)cc1O ZINC000597224727 1040702196 /nfs/dbraw/zinc/70/21/96/1040702196.db2.gz ITQOGAKZZUSQHT-OAHLLOKOSA-N 0 3 316.445 3.786 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456346942 1040784015 /nfs/dbraw/zinc/78/40/15/1040784015.db2.gz UGVLJCSVDTZKQA-QZTJIDSGSA-N 0 3 314.473 3.569 20 30 DHEDHN N#Cc1c(F)cccc1CNCC1([C@H]2CCCCO2)CCC1 ZINC000602016863 1040850501 /nfs/dbraw/zinc/85/05/01/1040850501.db2.gz IHXBSACWJXGKQQ-QGZVFWFLSA-N 0 3 302.393 3.526 20 30 DHEDHN N#Cc1c(F)cccc1CN[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000602017846 1040864762 /nfs/dbraw/zinc/86/47/62/1040864762.db2.gz SDBJBFPQVPYZCD-VQIMIIECSA-N 0 3 310.372 3.707 20 30 DHEDHN N=C(N[C@H]1CCc2cc(F)ccc2C1)c1ccc2ccccc2n1 ZINC001168412574 1041025443 /nfs/dbraw/zinc/02/54/43/1041025443.db2.gz QTYHDNLWNXMGLV-KRWDZBQOSA-N 0 3 319.383 3.637 20 30 DHEDHN N#Cc1ccc(CN(Cc2ccc3nccnc3c2)C2CC2)cc1 ZINC000602440800 1041034184 /nfs/dbraw/zinc/03/41/84/1041034184.db2.gz KUWMMCHNSMGZNW-UHFFFAOYSA-N 0 3 314.392 3.666 20 30 DHEDHN C[C@H](CCC#N)CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000602475340 1041040874 /nfs/dbraw/zinc/04/08/74/1041040874.db2.gz UKAVDHAVRDXJNY-SECBINFHSA-N 0 3 302.262 3.743 20 30 DHEDHN CC(C)c1cc(Cl)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000602560141 1041097860 /nfs/dbraw/zinc/09/78/60/1041097860.db2.gz BWTJKGLDLHFBFI-CQSZACIVSA-N 0 3 307.825 3.813 20 30 DHEDHN CSc1ccc(F)cc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602563737 1041099978 /nfs/dbraw/zinc/09/99/78/1041099978.db2.gz ZCRWXDDLTWUGMY-ZDUSSCGKSA-N 0 3 322.449 3.736 20 30 DHEDHN C[C@H](N[C@@H](c1nnc[nH]1)C1CCCCC1)c1cccc(C#N)c1 ZINC000602566184 1041100540 /nfs/dbraw/zinc/10/05/40/1041100540.db2.gz IYJGSOXQDXITLK-SUMWQHHRSA-N 0 3 309.417 3.649 20 30 DHEDHN CCOc1cc(C)ccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602567637 1041100650 /nfs/dbraw/zinc/10/06/50/1041100650.db2.gz ITPWYYGRINWIRO-MRXNPFEDSA-N 0 3 316.445 3.582 20 30 DHEDHN C[C@@H](CC#N)NCCCCOc1cccc(C(F)(F)F)c1 ZINC000602861223 1041263741 /nfs/dbraw/zinc/26/37/41/1041263741.db2.gz GDJNXNGSJLNDBA-LBPRGKRZSA-N 0 3 300.324 3.756 20 30 DHEDHN N#Cc1ccc(C2CCN(CCCCC(F)(F)F)CC2)nc1 ZINC000602908474 1041295187 /nfs/dbraw/zinc/29/51/87/1041295187.db2.gz RXUYMJKXVJDZSE-UHFFFAOYSA-N 0 3 311.351 3.865 20 30 DHEDHN Cc1cc(CN2CCC(c3ccc(F)cn3)CC2)ccc1C#N ZINC000602905246 1041302376 /nfs/dbraw/zinc/30/23/76/1041302376.db2.gz QBKGGXGMXJUIKM-UHFFFAOYSA-N 0 3 309.388 3.780 20 30 DHEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cc(Cl)ccc1Cl ZINC000598602492 1041344971 /nfs/dbraw/zinc/34/49/71/1041344971.db2.gz PCSWWTZWHVEPJY-PWSUYJOCSA-N 0 3 315.244 3.945 20 30 DHEDHN CCC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)cc1F ZINC000598600868 1041346037 /nfs/dbraw/zinc/34/60/37/1041346037.db2.gz HERRILXQQKHORX-XJKSGUPXSA-N 0 3 310.388 3.696 20 30 DHEDHN CCCCN(Cc1ccccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598591690 1041350411 /nfs/dbraw/zinc/35/04/11/1041350411.db2.gz YSBCGHKWSYDOBU-INIZCTEOSA-N 0 3 306.425 3.729 20 30 DHEDHN N#CC1(CCCN[C@@H](CF)c2ccc(F)cc2)CCOCC1 ZINC000603022303 1041350862 /nfs/dbraw/zinc/35/08/62/1041350862.db2.gz XVDXLYQUYMQCRO-INIZCTEOSA-N 0 3 308.372 3.526 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000287652203 335048986 /nfs/dbraw/zinc/04/89/86/335048986.db2.gz VAPRQYONUIRWHE-ZACQAIPSSA-N 0 3 303.450 3.602 20 30 DHEDHN CC(=O)Nc1ccn([C@H]2CCN([C@@H](C)c3cccc(C)c3)C2)n1 ZINC000328621215 257264020 /nfs/dbraw/zinc/26/40/20/257264020.db2.gz HORRBARQLKWSJD-YOEHRIQHSA-N 0 3 312.417 3.807 20 30 DHEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000289650221 335062352 /nfs/dbraw/zinc/06/23/52/335062352.db2.gz GGFGFOKWZKGABV-PWSUYJOCSA-N 0 3 305.365 3.539 20 30 DHEDHN C=C[C@@H](CO)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000289670761 335062609 /nfs/dbraw/zinc/06/26/09/335062609.db2.gz HEZNFHYCMXPGNX-DOMZBBRYSA-N 0 3 302.443 3.624 20 30 DHEDHN C#CCCOc1ccc(CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000289373632 335062815 /nfs/dbraw/zinc/06/28/15/335062815.db2.gz BBOUZANPFHWSRB-HXUWFJFHSA-N 0 3 306.409 3.821 20 30 DHEDHN COCCOCc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000289511375 131392467 /nfs/dbraw/zinc/39/24/67/131392467.db2.gz APYRCXYAFXBQJU-INIZCTEOSA-N 0 3 324.424 3.572 20 30 DHEDHN CC[C@H](COCC(F)(F)F)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000297376914 132012629 /nfs/dbraw/zinc/01/26/29/132012629.db2.gz QUBKQRCFJVILJJ-ZWNOBZJWSA-N 0 3 318.314 3.705 20 30 DHEDHN Cc1nc(NCC(C)(C)N2CCc3ccccc3C2)ccc1C#N ZINC000487911774 429173842 /nfs/dbraw/zinc/17/38/42/429173842.db2.gz FFNRGDNXJRDGSY-UHFFFAOYSA-N 0 3 320.440 3.511 20 30 DHEDHN C=CC[C@@H](CO)N[C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000186709173 331469340 /nfs/dbraw/zinc/46/93/40/331469340.db2.gz HULSIKPTDVTZLP-AAEUAGOBSA-N 0 3 320.433 3.845 20 30 DHEDHN CCc1ccc([C@@H](CNc2nc(C)cc(C)c2C#N)N(C)C)cc1 ZINC000216732721 331520666 /nfs/dbraw/zinc/52/06/66/331520666.db2.gz OCQKLEOGYJGOGM-LJQANCHMSA-N 0 3 322.456 3.847 20 30 DHEDHN COc1cc(CNCc2ccc(N(C)CCC#N)cc2)ccc1C ZINC000067450117 331896603 /nfs/dbraw/zinc/89/66/03/331896603.db2.gz ZIVNICFIVJMZEY-UHFFFAOYSA-N 0 3 323.440 3.643 20 30 DHEDHN CC(C)c1ccc(CC2CCN(CCOCCC#N)CC2)cc1 ZINC000559155635 331983387 /nfs/dbraw/zinc/98/33/87/331983387.db2.gz PAJHXDWUKJVOOS-UHFFFAOYSA-N 0 3 314.473 3.995 20 30 DHEDHN C=CCN(CC=C)C(=O)CN1CCCCC[C@H]1c1ccccc1 ZINC000520042976 332030267 /nfs/dbraw/zinc/03/02/67/332030267.db2.gz RSECHZYPPZKPTC-IBGZPJMESA-N 0 3 312.457 3.804 20 30 DHEDHN C=CCC[C@@H](CCC)NCc1cc(C)nc(N2CCCC2)n1 ZINC000426299356 332036453 /nfs/dbraw/zinc/03/64/53/332036453.db2.gz VIBGLQGOJGHDAQ-MRXNPFEDSA-N 0 3 302.466 3.610 20 30 DHEDHN C=CC[C@H](CC)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000410138458 332093027 /nfs/dbraw/zinc/09/30/27/332093027.db2.gz RKOZYXSWTWZADP-AEFFLSMTSA-N 0 3 318.436 3.509 20 30 DHEDHN CCOc1ccc(C2=CCN(CCCSCC#N)CC2)cc1 ZINC000091800283 332112470 /nfs/dbraw/zinc/11/24/70/332112470.db2.gz QPUAUJZEYASKKE-UHFFFAOYSA-N 0 3 316.470 3.821 20 30 DHEDHN C=CCN1CC[C@@H](N(CCC)[C@@H](CC)c2ccccc2)C1=O ZINC000410337360 332113901 /nfs/dbraw/zinc/11/39/01/332113901.db2.gz AMVVVWTWVPTIDE-ZWKOTPCHSA-N 0 3 300.446 3.637 20 30 DHEDHN C=CC[C@@H](C(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000427001299 332165048 /nfs/dbraw/zinc/16/50/48/332165048.db2.gz ISVYKOCWMPZBTF-ZIFCJYIRSA-N 0 3 314.473 3.725 20 30 DHEDHN C=C(C)CN(C)CC1=Cc2cc(Br)ccc2OC1 ZINC000181044480 332173296 /nfs/dbraw/zinc/17/32/96/332173296.db2.gz HKPFCQGMUINRIH-UHFFFAOYSA-N 0 3 308.219 3.733 20 30 DHEDHN C#CCCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000150739570 332194752 /nfs/dbraw/zinc/19/47/52/332194752.db2.gz LMEMDKMGOMYKEJ-UHFFFAOYSA-N 0 3 315.398 3.611 20 30 DHEDHN C=CCc1cc(CN2CCC(C)(OCC)CC2)cc(OC)c1O ZINC000292743925 335094472 /nfs/dbraw/zinc/09/44/72/335094472.db2.gz HSQITHBSYFVOLK-UHFFFAOYSA-N 0 3 319.445 3.520 20 30 DHEDHN C[C@@H](N[C@@H](CO)C1CCCCC1)c1ccc(C#N)cc1Cl ZINC000583359325 332351002 /nfs/dbraw/zinc/35/10/02/332351002.db2.gz RCEKVZTWXNNASQ-PXAZEXFGSA-N 0 3 306.837 3.803 20 30 DHEDHN C=CCC[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccco1 ZINC000560536037 332354161 /nfs/dbraw/zinc/35/41/61/332354161.db2.gz HLXVFNHKHXLSQR-SJORKVTESA-N 0 3 303.377 3.619 20 30 DHEDHN C=CCCCCN[C@H](C)c1ncc(Br)cc1F ZINC000427855843 332544058 /nfs/dbraw/zinc/54/40/58/332544058.db2.gz DJQAEGVOONSAJO-SNVBAGLBSA-N 0 3 301.203 3.990 20 30 DHEDHN C[C@@H]1Cc2ccccc2N1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000562095709 332545757 /nfs/dbraw/zinc/54/57/57/332545757.db2.gz JUSOVXLNQXFIQZ-QRWLVFNGSA-N 0 3 317.436 3.586 20 30 DHEDHN CC(C)c1nc(CNCCc2cccc(C#N)c2)c2ccccn21 ZINC000565084626 332564397 /nfs/dbraw/zinc/56/43/97/332564397.db2.gz ZBNLMOBPDSDMNL-UHFFFAOYSA-N 0 3 318.424 3.662 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(COC)c2)cc1 ZINC000158527277 332574596 /nfs/dbraw/zinc/57/45/96/332574596.db2.gz LFSDLEANILNSKZ-MRXNPFEDSA-N 0 3 309.409 3.696 20 30 DHEDHN C=CCCCCCNCc1cnc(-c2ccccc2OC)nc1 ZINC000569941480 332695840 /nfs/dbraw/zinc/69/58/40/332695840.db2.gz QGMFIUDTGBLFMH-UHFFFAOYSA-N 0 3 311.429 3.988 20 30 DHEDHN COc1cc2c(cc1OC)CN(CCCCC(C)(C)C#N)CC2 ZINC000323353240 333017485 /nfs/dbraw/zinc/01/74/85/333017485.db2.gz BBXMCRLNDXDYOC-UHFFFAOYSA-N 0 3 316.445 3.782 20 30 DHEDHN N#CCOc1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000180558847 333163248 /nfs/dbraw/zinc/16/32/48/333163248.db2.gz OHYWMQFQGOOIOV-LJQANCHMSA-N 0 3 324.449 3.709 20 30 DHEDHN C[C@H](N[C@@H](CCCO)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181798520 333172598 /nfs/dbraw/zinc/17/25/98/333172598.db2.gz PEQGMJNWCDNUBM-JXFKEZNVSA-N 0 3 324.424 3.753 20 30 DHEDHN N#C[C@@H]1CCC[C@H](Nc2cccc(CN3CCSCC3)c2)C1 ZINC000185743631 333213316 /nfs/dbraw/zinc/21/33/16/333213316.db2.gz OIAHJSJFTNROGJ-WBVHZDCISA-N 0 3 315.486 3.730 20 30 DHEDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185759478 333213526 /nfs/dbraw/zinc/21/35/26/333213526.db2.gz WGTYSFGGGZOHCS-DLBZAZTESA-N 0 3 308.429 3.661 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000185769702 333213713 /nfs/dbraw/zinc/21/37/13/333213713.db2.gz QPVQXRHDDODQPM-PBHICJAKSA-N 0 3 311.429 3.597 20 30 DHEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000185768933 333213761 /nfs/dbraw/zinc/21/37/61/333213761.db2.gz KUMOHNRLMWXEAI-GLJUWKHASA-N 0 3 311.429 3.768 20 30 DHEDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185762374 333213897 /nfs/dbraw/zinc/21/38/97/333213897.db2.gz XBQBEKPAAJVLOR-MOPGFXCFSA-N 0 3 322.456 3.720 20 30 DHEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(N2CCCC2=O)c1 ZINC000185798709 333214285 /nfs/dbraw/zinc/21/42/85/333214285.db2.gz SWVUGPIVGGTSHR-YQQAZPJKSA-N 0 3 311.429 3.546 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NC[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC000185839759 333214880 /nfs/dbraw/zinc/21/48/80/333214880.db2.gz JTJCCNFHGOLBOL-WDMOLILDSA-N 0 3 313.228 3.699 20 30 DHEDHN COc1ccc(Br)cc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185860142 333215166 /nfs/dbraw/zinc/21/51/66/333215166.db2.gz DGYZMTPNZAIBBQ-BXUZGUMPSA-N 0 3 323.234 3.630 20 30 DHEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000185878060 333215332 /nfs/dbraw/zinc/21/53/32/333215332.db2.gz MNUDXSPOTWBJLA-YCCRMZCTSA-N 0 3 322.811 3.981 20 30 DHEDHN COc1cc(CNC(C)(C)COCc2ccccc2)ccc1C#N ZINC000390063613 333220522 /nfs/dbraw/zinc/22/05/22/333220522.db2.gz XHMZWOQPFURVGN-UHFFFAOYSA-N 0 3 324.424 3.652 20 30 DHEDHN CCN(CC1CCN([C@@H](C)CCC#N)CC1)C(=O)OC(C)(C)C ZINC000497232515 333225757 /nfs/dbraw/zinc/22/57/57/333225757.db2.gz MCDHCRMTOLONQR-HNNXBMFYSA-N 0 3 323.481 3.648 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000185344980 335129051 /nfs/dbraw/zinc/12/90/51/335129051.db2.gz NETAYMVEMLOSNZ-JKSUJKDBSA-N 0 3 320.502 3.679 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@@](C)(COC)C2)ccc1OC ZINC000295186368 335130901 /nfs/dbraw/zinc/13/09/01/335130901.db2.gz WRCJAWJEFOSHRA-LJQANCHMSA-N 0 3 319.445 3.509 20 30 DHEDHN C=CCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000364379672 333303383 /nfs/dbraw/zinc/30/33/83/333303383.db2.gz SXMSMEXSUANZME-HKUYNNGSSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000364427259 333313680 /nfs/dbraw/zinc/31/36/80/333313680.db2.gz HCWRLRPWISPBAO-NVXWUHKLSA-N 0 3 318.486 3.626 20 30 DHEDHN C=CCOc1ccccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000185421122 335133409 /nfs/dbraw/zinc/13/34/09/335133409.db2.gz VEQKQBKCUNZWES-AWEZNQCLSA-N 0 3 313.397 3.816 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000185436218 335133468 /nfs/dbraw/zinc/13/34/68/335133468.db2.gz UULSMGAOJIUVBX-INIZCTEOSA-N 0 3 302.462 3.699 20 30 DHEDHN C=C(C)CN1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 ZINC000364623395 333325469 /nfs/dbraw/zinc/32/54/69/333325469.db2.gz YJBKNFOQSZUGTG-YLJYHZDGSA-N 0 3 323.440 3.590 20 30 DHEDHN C=C(C)COc1cc(CNCC(C)(C)OCC)ccc1OC ZINC000186541576 333374512 /nfs/dbraw/zinc/37/45/12/333374512.db2.gz DXRKWTLYPJFHCJ-UHFFFAOYSA-N 0 3 307.434 3.555 20 30 DHEDHN C=CCSCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000228554796 333389638 /nfs/dbraw/zinc/38/96/38/333389638.db2.gz IHJJOEYMNBCQAL-UHFFFAOYSA-N 0 3 303.387 3.783 20 30 DHEDHN C=CCCN1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000338539331 333491180 /nfs/dbraw/zinc/49/11/80/333491180.db2.gz FSSYFYBOJNGWSI-UHFFFAOYSA-N 0 3 313.401 3.501 20 30 DHEDHN N#CCCOCCN[C@H](Cc1ccccc1)c1cccs1 ZINC000339083655 333508175 /nfs/dbraw/zinc/50/81/75/333508175.db2.gz MUSGVPUYFHJWOL-MRXNPFEDSA-N 0 3 300.427 3.552 20 30 DHEDHN C[C@@H](NCCOCCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000339082058 333508186 /nfs/dbraw/zinc/50/81/86/333508186.db2.gz PNORMLNCUCRTGM-MRXNPFEDSA-N 0 3 319.408 3.806 20 30 DHEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000411465883 333677181 /nfs/dbraw/zinc/67/71/81/333677181.db2.gz YLFZEABKANMHPS-HUUCEWRRSA-N 0 3 322.412 3.677 20 30 DHEDHN COc1ccc([C@H](C)NCCOc2ccc(C#N)cc2)c(C)c1 ZINC000414099287 333896127 /nfs/dbraw/zinc/89/61/27/333896127.db2.gz UFWHYSPKOCSPSJ-HNNXBMFYSA-N 0 3 310.397 3.605 20 30 DHEDHN COc1ccc(C[C@@H](C)N[C@H](CCC#N)c2ccccc2)cn1 ZINC000414104200 333896964 /nfs/dbraw/zinc/89/69/64/333896964.db2.gz OEZBVAPCSHEWGJ-CRAIPNDOSA-N 0 3 309.413 3.656 20 30 DHEDHN Cc1ccc([C@@H](CNc2nccc(C)c2C#N)N2CCCC2)cc1 ZINC000343503412 335170172 /nfs/dbraw/zinc/17/01/72/335170172.db2.gz AWYCAOVDGZBHAR-LJQANCHMSA-N 0 3 320.440 3.819 20 30 DHEDHN C=CCOc1ccc(CN2CC3(CCOCC3)[C@H]2C(C)C)cc1 ZINC000414534629 334010866 /nfs/dbraw/zinc/01/08/66/334010866.db2.gz VHVXFYVFPCJHNC-LJQANCHMSA-N 0 3 315.457 3.888 20 30 DHEDHN C=CC[C@@H](Cc1ccccc1)NCc1nccn1CC(F)(F)F ZINC000414538023 334012359 /nfs/dbraw/zinc/01/23/59/334012359.db2.gz PXIYLKSDOKYRTE-HNNXBMFYSA-N 0 3 323.362 3.722 20 30 DHEDHN CC(C)(C#N)CCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000270648805 334015313 /nfs/dbraw/zinc/01/53/13/334015313.db2.gz LIDSOVRSPJQOAC-QGZVFWFLSA-N 0 3 312.413 3.755 20 30 DHEDHN CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000272589460 334037878 /nfs/dbraw/zinc/03/78/78/334037878.db2.gz HOXCDRUCSXXNGL-KRWDZBQOSA-N 0 3 319.449 3.658 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2cc(Br)ccc2F)C1 ZINC000274196234 334056579 /nfs/dbraw/zinc/05/65/79/334056579.db2.gz JNSBWGROBRWSLO-MFKMUULPSA-N 0 3 311.198 3.760 20 30 DHEDHN CC(C)(C#N)CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000277056304 334086250 /nfs/dbraw/zinc/08/62/50/334086250.db2.gz MOVBCSOINFXHFH-HUUCEWRRSA-N 0 3 310.800 3.839 20 30 DHEDHN CC(C)(C#N)CCCCN1CCN(CCc2cccs2)CC1 ZINC000277623680 334089589 /nfs/dbraw/zinc/08/95/89/334089589.db2.gz GMBZWITUXUTKCQ-UHFFFAOYSA-N 0 3 319.518 3.628 20 30 DHEDHN CO[C@H]1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000277803316 334090887 /nfs/dbraw/zinc/09/08/87/334090887.db2.gz UIMDMBHPIFRGPR-FQEVSTJZSA-N 0 3 320.436 3.607 20 30 DHEDHN CC[C@@H](NCc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000278330160 334095154 /nfs/dbraw/zinc/09/51/54/334095154.db2.gz WATSSWJHFBNEOI-QGZVFWFLSA-N 0 3 310.397 3.816 20 30 DHEDHN CC(C)[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279301938 334107446 /nfs/dbraw/zinc/10/74/46/334107446.db2.gz MERGIYHOYAXGES-CEXWTWQISA-N 0 3 323.440 3.572 20 30 DHEDHN CC(C)N1CC[C@H](NCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279335494 334107990 /nfs/dbraw/zinc/10/79/90/334107990.db2.gz UJTVMJZIUYMDSR-IRXDYDNUSA-N 0 3 323.843 3.896 20 30 DHEDHN CC(C)C1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280339949 334116385 /nfs/dbraw/zinc/11/63/85/334116385.db2.gz PVLKJMXFQWZGMD-GOSISDBHSA-N 0 3 323.440 3.525 20 30 DHEDHN CSc1ccccc1CN(C)CCCC1(C#N)CCOCC1 ZINC000281215281 334124028 /nfs/dbraw/zinc/12/40/28/334124028.db2.gz DLHPRIXJVGHIIZ-UHFFFAOYSA-N 0 3 318.486 3.941 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1OC ZINC000340103917 334127315 /nfs/dbraw/zinc/12/73/15/334127315.db2.gz GFTFLLDNPAWHBR-HXUWFJFHSA-N 0 3 324.424 3.896 20 30 DHEDHN CC(C)(C#N)CCN[C@H]1CCOc2c(Br)cccc21 ZINC000282062673 334131009 /nfs/dbraw/zinc/13/10/09/334131009.db2.gz MRYZOLMVWPYTFI-ZDUSSCGKSA-N 0 3 323.234 3.802 20 30 DHEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000282061375 334131035 /nfs/dbraw/zinc/13/10/35/334131035.db2.gz SFHNDKBLWIJFCT-ZDUSSCGKSA-N 0 3 308.372 3.716 20 30 DHEDHN Cn1cccc1[C@@H]1CCCCN1CCCC1(C#N)CCOCC1 ZINC000282105132 334131401 /nfs/dbraw/zinc/13/14/01/334131401.db2.gz WLFPFVDBKKRSTR-SFHVURJKSA-N 0 3 315.461 3.653 20 30 DHEDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c([O-])c1 ZINC000284867223 334144827 /nfs/dbraw/zinc/14/48/27/334144827.db2.gz AULVWMMVWSJQPZ-HNNXBMFYSA-N 0 3 310.397 3.762 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CCC=C(c3ccco3)C2)cc1 ZINC000289392803 334164781 /nfs/dbraw/zinc/16/47/81/334164781.db2.gz NRXHZLLYZSWZNS-UHFFFAOYSA-N 0 3 321.424 3.919 20 30 DHEDHN CC(C)OC(=O)C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000290388989 334172648 /nfs/dbraw/zinc/17/26/48/334172648.db2.gz IPYZYIPIHDJVHB-JQHSSLGASA-N 0 3 314.429 3.741 20 30 DHEDHN N#C[C@H]1CC[C@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC000290528385 334173377 /nfs/dbraw/zinc/17/33/77/334173377.db2.gz ZHHWVODZYPHETA-MVJPYGJCSA-N 0 3 306.409 3.743 20 30 DHEDHN CCN(CC(=O)Nc1ccccc1SCC#N)CC(C)(C)C ZINC000291152037 334177121 /nfs/dbraw/zinc/17/71/21/334177121.db2.gz DUYSBSJGYPDLNG-UHFFFAOYSA-N 0 3 319.474 3.609 20 30 DHEDHN N#CCCOCCN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000293656357 334200139 /nfs/dbraw/zinc/20/01/39/334200139.db2.gz YHYIYIUQUJWKTP-HXUWFJFHSA-N 0 3 306.409 3.564 20 30 DHEDHN C[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293801937 334202367 /nfs/dbraw/zinc/20/23/67/334202367.db2.gz VBKWYIAXKROHOP-IIAWOOMASA-N 0 3 312.392 3.744 20 30 DHEDHN Cn1ncc2c1CCC[C@@H]2N[C@H](CCCC#N)c1ccccc1 ZINC000340444786 334203634 /nfs/dbraw/zinc/20/36/34/334203634.db2.gz JPLAVDMUWBVNFE-MSOLQXFVSA-N 0 3 308.429 3.822 20 30 DHEDHN C=CCC[C@H](NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccco1 ZINC000514094534 334272819 /nfs/dbraw/zinc/27/28/19/334272819.db2.gz NOTUQKXJSGWSAO-ULQDDVLXSA-N 0 3 320.477 3.764 20 30 DHEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1nc2ccc(Cl)cc2n1C ZINC000296555966 334235059 /nfs/dbraw/zinc/23/50/59/334235059.db2.gz RUMHCVZTZRYTRM-DYEKYZERSA-N 0 3 316.836 3.960 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccccc2COC)cc1 ZINC000122047819 334371802 /nfs/dbraw/zinc/37/18/02/334371802.db2.gz YWMLSQZRYIYOAX-INIZCTEOSA-N 0 3 309.409 3.696 20 30 DHEDHN COC(=O)c1cccc(CN(C(C)C)C2CCCCC2)c1C#N ZINC000535206136 334380258 /nfs/dbraw/zinc/38/02/58/334380258.db2.gz KARPEHZRDJCQMG-UHFFFAOYSA-N 0 3 314.429 3.888 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000341892862 334493026 /nfs/dbraw/zinc/49/30/26/334493026.db2.gz XFCVVEBOZVTGRN-XJKSGUPXSA-N 0 3 309.837 3.636 20 30 DHEDHN C=CCC[C@H](NC[C@H](O)COc1ccccc1)c1ccccc1 ZINC000341934135 334493917 /nfs/dbraw/zinc/49/39/17/334493917.db2.gz UVCBCJMAKYBFOF-ICSRJNTNSA-N 0 3 311.425 3.723 20 30 DHEDHN CC(C)n1ccc(C[C@H](C)NC2(c3cccc(C#N)c3)CC2)n1 ZINC000342812289 334579493 /nfs/dbraw/zinc/57/94/93/334579493.db2.gz ZMFHRNGFMNUKOB-HNNXBMFYSA-N 0 3 308.429 3.546 20 30 DHEDHN C[C@H](NCC1(O)CCC(C)(C)CC1)c1ccc(C#N)c(F)c1 ZINC000567180677 334793117 /nfs/dbraw/zinc/79/31/17/334793117.db2.gz QSFSJDXPDKJHLU-ZDUSSCGKSA-N 0 3 304.409 3.679 20 30 DHEDHN CO[C@H](c1ccccc1F)[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443997683 338466279 /nfs/dbraw/zinc/46/62/79/338466279.db2.gz YEQMHOHNCRCJSL-KUHUBIRLSA-N 0 3 312.388 3.872 20 30 DHEDHN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443997681 338466285 /nfs/dbraw/zinc/46/62/85/338466285.db2.gz YEQMHOHNCRCJSL-AUUYWEPGSA-N 0 3 312.388 3.872 20 30 DHEDHN CCCN(CC)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000343647207 335184671 /nfs/dbraw/zinc/18/46/71/335184671.db2.gz MNOIODUXXUVSMT-QGZVFWFLSA-N 0 3 315.461 3.671 20 30 DHEDHN C=C(CC)CN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343740986 335189770 /nfs/dbraw/zinc/18/97/70/335189770.db2.gz VYHCKVQEIJZPJI-LBPRGKRZSA-N 0 3 301.356 3.585 20 30 DHEDHN COc1cncc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000344075857 335215656 /nfs/dbraw/zinc/21/56/56/335215656.db2.gz MXKBYWINGQBJBW-UHFFFAOYSA-N 0 3 309.413 3.620 20 30 DHEDHN N#Cc1ccc(OCCN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000344319755 335240595 /nfs/dbraw/zinc/24/05/95/335240595.db2.gz HDWXJVOBTKMGDE-LJQANCHMSA-N 0 3 310.372 3.743 20 30 DHEDHN Cc1ccoc1CNC1CCC(Oc2ccccc2C#N)CC1 ZINC000344518676 335254325 /nfs/dbraw/zinc/25/43/25/335254325.db2.gz JWCDLALZXKWNRQ-UHFFFAOYSA-N 0 3 310.397 3.940 20 30 DHEDHN N#Cc1ccccc1COc1cccc(CN[C@H]2CCSC2)c1 ZINC000344758892 335272106 /nfs/dbraw/zinc/27/21/06/335272106.db2.gz LAEPTFXYQDSLEN-SFHVURJKSA-N 0 3 324.449 3.732 20 30 DHEDHN C=CCOc1ccccc1CN(C)C[C@H](C)c1nccs1 ZINC000346283099 335392190 /nfs/dbraw/zinc/39/21/90/335392190.db2.gz WYSRAOBBFCZLLC-AWEZNQCLSA-N 0 3 302.443 3.943 20 30 DHEDHN CCCCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000349827605 335704039 /nfs/dbraw/zinc/70/40/39/335704039.db2.gz JRLPWSUOAPCYGS-ZBFHGGJFSA-N 0 3 302.418 3.656 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2C(C)C)CC1 ZINC000106315628 335798019 /nfs/dbraw/zinc/79/80/19/335798019.db2.gz LMPSHKDASCVEMC-UHFFFAOYSA-N 0 3 315.461 3.972 20 30 DHEDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000329837242 336088179 /nfs/dbraw/zinc/08/81/79/336088179.db2.gz VJOWDNKDYFOCOU-NUJGCVRESA-N 0 3 324.428 3.753 20 30 DHEDHN Cc1c[nH]c(-c2ccccc2NC(=O)CN2[C@H](C)CC[C@H]2C)n1 ZINC000330245227 336129032 /nfs/dbraw/zinc/12/90/32/336129032.db2.gz XPOSYFUUHADYMQ-ZIAGYGMSSA-N 0 3 312.417 3.846 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2ccc3sccc3c2)nc(C)n1 ZINC000352046659 336191678 /nfs/dbraw/zinc/19/16/78/336191678.db2.gz VFIFJWGZMZVCOA-AWEZNQCLSA-N 0 3 307.378 3.798 20 30 DHEDHN CCOc1cc2c(cc1CN[C@@H]1CCC[C@H](C#N)C1)O[C@H](C)C2 ZINC000192617857 336195983 /nfs/dbraw/zinc/19/59/83/336195983.db2.gz PRPGEIGSORJJPY-JKIFEVAISA-N 0 3 314.429 3.581 20 30 DHEDHN Cc1cnccc1OC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000352364318 336214370 /nfs/dbraw/zinc/21/43/70/336214370.db2.gz BSNVYWNVWPWGMT-UHFFFAOYSA-N 0 3 321.424 3.614 20 30 DHEDHN C=C(CN[C@H]1CCN(C(C)=O)Cc2ccccc21)c1ccccc1 ZINC000352558106 336224568 /nfs/dbraw/zinc/22/45/68/336224568.db2.gz UVIRLUPWRXQHTH-NRFANRHFSA-N 0 3 320.436 3.783 20 30 DHEDHN C=C(C)COc1cc(CN(CC)C[C@H]2CCCO2)ccc1OC ZINC000352653251 336228861 /nfs/dbraw/zinc/22/88/61/336228861.db2.gz VPMJOCSWMTZUAF-QGZVFWFLSA-N 0 3 319.445 3.651 20 30 DHEDHN C=CCC[C@H](NCc1ccc2c(c1)oc(=O)n2C)c1ccccc1 ZINC000352694707 336230941 /nfs/dbraw/zinc/23/09/41/336230941.db2.gz YFJHZSZVLAFULW-KRWDZBQOSA-N 0 3 322.408 3.929 20 30 DHEDHN CC[C@H](CNCc1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000532569909 336256065 /nfs/dbraw/zinc/25/60/65/336256065.db2.gz WZECDYKEVJZBPM-MRXNPFEDSA-N 0 3 316.351 3.784 20 30 DHEDHN CN1CCC[C@@H](CNc2cccc(C#N)n2)[C@H]1c1cccs1 ZINC000301438507 336306788 /nfs/dbraw/zinc/30/67/88/336306788.db2.gz STXJOUZSXQHSEA-GUYCJALGSA-N 0 3 312.442 3.510 20 30 DHEDHN N#Cc1cc(F)c(N[C@H]2CCN(CC3CCCC3)C2)c(F)c1 ZINC000301469282 336308806 /nfs/dbraw/zinc/30/88/06/336308806.db2.gz NSQOWYMGBIGRHH-AWEZNQCLSA-N 0 3 305.372 3.513 20 30 DHEDHN CCN(CC)[C@@H](CNc1ccc(C#N)nc1)c1ccsc1 ZINC000301525727 336312477 /nfs/dbraw/zinc/31/24/77/336312477.db2.gz PPKBPMCXVFUIGD-INIZCTEOSA-N 0 3 300.431 3.510 20 30 DHEDHN CN(C)[C@@H](CNc1ccc2cc(C#N)ccc2n1)c1ccccc1 ZINC000301797176 336330623 /nfs/dbraw/zinc/33/06/23/336330623.db2.gz APTMBDPZAYBSNK-IBGZPJMESA-N 0 3 316.408 3.821 20 30 DHEDHN C[C@H](CN(C)Cc1ccccc1)Nc1snc(Cl)c1C#N ZINC000302019374 336343457 /nfs/dbraw/zinc/34/34/57/336343457.db2.gz NAMZINZCXQANGC-LLVKDONJSA-N 0 3 320.849 3.601 20 30 DHEDHN N#Cc1cccc(C#N)c1NC[C@@H](c1cccs1)N1CCCC1 ZINC000302821998 336370599 /nfs/dbraw/zinc/37/05/99/336370599.db2.gz DSSZWQKYQSWDTH-INIZCTEOSA-N 0 3 322.437 3.740 20 30 DHEDHN N#Cc1csc(CN[C@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000352903397 336375530 /nfs/dbraw/zinc/37/55/30/336375530.db2.gz SNYGHORONLSJRK-OCCSQVGLSA-N 0 3 301.390 3.580 20 30 DHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC1CC(OCC)C1 ZINC000352952305 336379083 /nfs/dbraw/zinc/37/90/83/336379083.db2.gz QFQLJPMDVVGDLT-UHFFFAOYSA-N 0 3 305.466 3.657 20 30 DHEDHN N#Cc1csc(CN[C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000353060868 336391936 /nfs/dbraw/zinc/39/19/36/336391936.db2.gz KYBNYNIVVFQEGS-SFHVURJKSA-N 0 3 324.449 3.804 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(-n3cccn3)cc1)CC2 ZINC000353271111 336409367 /nfs/dbraw/zinc/40/93/67/336409367.db2.gz YABDVWLTPCHDAP-FQEVSTJZSA-N 0 3 314.392 3.521 20 30 DHEDHN Cc1cccc2c1OCC[C@@H]2N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353635934 336430598 /nfs/dbraw/zinc/43/05/98/336430598.db2.gz NZDQKNVDGOLTAH-MOPGFXCFSA-N 0 3 304.393 3.967 20 30 DHEDHN C[C@@]1(NCc2ccc(C#N)cc2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000356444180 336550153 /nfs/dbraw/zinc/55/01/53/336550153.db2.gz XPSYVUFKSATINL-HZPDHXFCSA-N 0 3 324.346 3.624 20 30 DHEDHN Cc1c([C@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)cnn1C ZINC000360839685 336724045 /nfs/dbraw/zinc/72/40/45/336724045.db2.gz YPYQWWORLJAVHI-DJJJIMSYSA-N 0 3 308.429 3.719 20 30 DHEDHN C#CCOc1ccc(CN[C@@H]2CCCc3cnn(C(C)C)c32)cc1 ZINC000368149962 336839571 /nfs/dbraw/zinc/83/95/71/336839571.db2.gz KGMKTRQLXHXDQN-LJQANCHMSA-N 0 3 323.440 3.643 20 30 DHEDHN Cc1ccc(C2CCN(CCOc3ccccc3C#N)CC2)cn1 ZINC000370069017 336876893 /nfs/dbraw/zinc/87/68/93/336876893.db2.gz DCBYMWATMRXKPK-UHFFFAOYSA-N 0 3 321.424 3.520 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](CC)c1ccc(OC)cc1 ZINC000119456325 336890242 /nfs/dbraw/zinc/89/02/42/336890242.db2.gz LMQQJAMWAUUNCP-MAUKXSAKSA-N 0 3 318.461 3.549 20 30 DHEDHN CCCn1nc(C)c(CN[C@H]2CCCc3cc(C#N)ccc32)c1C ZINC000418146123 336896881 /nfs/dbraw/zinc/89/68/81/336896881.db2.gz OVOZQFPCCWEXGB-FQEVSTJZSA-N 0 3 322.456 3.949 20 30 DHEDHN Cc1ccn2c(CN[C@H]3CCCc4cc(C#N)ccc43)cnc2c1 ZINC000418148434 336898113 /nfs/dbraw/zinc/89/81/13/336898113.db2.gz SUGUFEKQLVDUHB-IBGZPJMESA-N 0 3 316.408 3.682 20 30 DHEDHN C=CCC[C@H](CCC)N[C@H]1CCCc2cn(CCOC)nc21 ZINC000373381506 336958753 /nfs/dbraw/zinc/95/87/53/336958753.db2.gz CPQZJUWMUQDLRU-IRXDYDNUSA-N 0 3 305.466 3.631 20 30 DHEDHN N#Cc1cccc(C#N)c1NC1CCN(Cc2ccsc2)CC1 ZINC000375522033 337012722 /nfs/dbraw/zinc/01/27/22/337012722.db2.gz RZAJRWPQZBCJCK-UHFFFAOYSA-N 0 3 322.437 3.568 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccncc2)cc1 ZINC000377688775 337058578 /nfs/dbraw/zinc/05/85/78/337058578.db2.gz CYNPWBQUPHCKGN-BEFAXECRSA-N 0 3 307.397 3.710 20 30 DHEDHN C=CCOc1cccc(CN[C@H]2CN(C)Cc3ccccc32)c1 ZINC000378269220 337069203 /nfs/dbraw/zinc/06/92/03/337069203.db2.gz HMWOMGFCXHPEAH-FQEVSTJZSA-N 0 3 308.425 3.528 20 30 DHEDHN C=CCCC[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000378443689 337072996 /nfs/dbraw/zinc/07/29/96/337072996.db2.gz JEGQXKVLDHAZBL-KRWDZBQOSA-N 0 3 314.473 3.760 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000360053651 337084420 /nfs/dbraw/zinc/08/44/20/337084420.db2.gz DMOJGDIATYGKHF-CTNGQTDRSA-N 0 3 321.420 3.566 20 30 DHEDHN C=CCCC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000172175928 337089846 /nfs/dbraw/zinc/08/98/46/337089846.db2.gz FCSIFRYFKIDNGT-UHFFFAOYSA-N 0 3 322.836 3.662 20 30 DHEDHN C=CCCCC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000175779400 337149236 /nfs/dbraw/zinc/14/92/36/337149236.db2.gz MLFSBICGTMXCQN-RHSMWYFYSA-N 0 3 306.475 3.604 20 30 DHEDHN CC(C)(C)C1CCC(O)(CNCc2cc(C#N)cs2)CC1 ZINC000177698785 337158476 /nfs/dbraw/zinc/15/84/76/337158476.db2.gz UTHXMXSSEXNFDG-UHFFFAOYSA-N 0 3 306.475 3.677 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000179370320 337167536 /nfs/dbraw/zinc/16/75/36/337167536.db2.gz WROFIJZTFALZBJ-UONOGXRCSA-N 0 3 308.491 3.829 20 30 DHEDHN CCn1c(C)cc(C(=O)C(C#N)c2cnc3ccccc3n2)c1C ZINC000190966322 337291725 /nfs/dbraw/zinc/29/17/25/337291725.db2.gz FPPCKUOSUJPVPB-OAHLLOKOSA-N 0 3 318.380 3.558 20 30 DHEDHN CC(C)N(Cc1cc(C#N)n(C)c1)Cc1cccc(Cl)c1 ZINC000191233327 337295024 /nfs/dbraw/zinc/29/50/24/337295024.db2.gz RCQJEHACCMVXJY-UHFFFAOYSA-N 0 3 301.821 3.961 20 30 DHEDHN N#Cc1ccc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1F ZINC000192160871 337303523 /nfs/dbraw/zinc/30/35/23/337303523.db2.gz DGKDUVZQBBWQPU-JXFKEZNVSA-N 0 3 324.399 3.955 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCc3c2cccc3Br)C1 ZINC000584496650 337350208 /nfs/dbraw/zinc/35/02/08/337350208.db2.gz NKXGWJQKMBAZRV-UEKVPHQBSA-N 0 3 305.219 3.718 20 30 DHEDHN C=CCN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102401947 337386261 /nfs/dbraw/zinc/38/62/61/337386261.db2.gz DLPGRLJNKJZRQU-CYBMUJFWSA-N 0 3 303.793 3.755 20 30 DHEDHN COc1ccccc1NC1CCN(CCC(C)(C)C#N)CC1 ZINC000119969788 337395191 /nfs/dbraw/zinc/39/51/91/337395191.db2.gz FDRINOHOLWAGCJ-UHFFFAOYSA-N 0 3 301.434 3.511 20 30 DHEDHN N#CCSCCCN1CCC(c2nc3ccccc3o2)CC1 ZINC000072513343 337547861 /nfs/dbraw/zinc/54/78/61/337547861.db2.gz IAMLQWFRPSOMHY-UHFFFAOYSA-N 0 3 315.442 3.654 20 30 DHEDHN C#CC[C@@H](NCc1cnc2c(cnn2C(C)C)c1)c1ccccc1 ZINC000270277138 337639733 /nfs/dbraw/zinc/63/97/33/337639733.db2.gz YRRJHKWCMUGNSH-LJQANCHMSA-N 0 3 318.424 3.866 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3cc(N)ccc31)CC2 ZINC000423376696 337717353 /nfs/dbraw/zinc/71/73/53/337717353.db2.gz YLOQZCDWDIRPGU-PMACEKPBSA-N 0 3 303.409 3.795 20 30 DHEDHN CC(C)c1ccc([C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1 ZINC000424061401 337730946 /nfs/dbraw/zinc/73/09/46/337730946.db2.gz FBRDSSGCCNOQQE-ROUUACIJSA-N 0 3 315.461 3.644 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ccccc1Br ZINC000424139564 337759816 /nfs/dbraw/zinc/75/98/16/337759816.db2.gz NOQCOCQGUCMROQ-XUJVJEKNSA-N 0 3 310.235 3.691 20 30 DHEDHN C=C(C)COc1cc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)ccc1OC ZINC000527805657 337765326 /nfs/dbraw/zinc/76/53/26/337765326.db2.gz VNCKNKIOLSITBU-CUYVQJCZSA-N 0 3 319.445 3.552 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(Cl)c(OC)cc1Cl ZINC000424168332 337790688 /nfs/dbraw/zinc/79/06/88/337790688.db2.gz GBZYVYSGLTYORB-HZMBPMFUSA-N 0 3 316.228 3.683 20 30 DHEDHN C=C[C@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000122508425 337920178 /nfs/dbraw/zinc/92/01/78/337920178.db2.gz LGOGHYHFWISVDK-YLJYHZDGSA-N 0 3 322.452 3.765 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)OCO2 ZINC000537406014 337933469 /nfs/dbraw/zinc/93/34/69/337933469.db2.gz CAOVOSKSATXNBG-VXGBXAGGSA-N 0 3 312.344 3.838 20 30 DHEDHN CC(C)OCCCN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426424362 338031916 /nfs/dbraw/zinc/03/19/16/338031916.db2.gz GZPLXSPYWXSPQR-UHFFFAOYSA-N 0 3 313.363 3.804 20 30 DHEDHN C=CCOc1cccc(CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000428390469 338033483 /nfs/dbraw/zinc/03/34/83/338033483.db2.gz CFAWNBMQCYMBJD-LJQANCHMSA-N 0 3 301.430 3.642 20 30 DHEDHN C=CCOc1ccccc1CN1CCC[C@H](OCC2CC2)C1 ZINC000428404773 338050319 /nfs/dbraw/zinc/05/03/19/338050319.db2.gz WDKFLHLOBHVYCX-SFHVURJKSA-N 0 3 301.430 3.642 20 30 DHEDHN CCN(CCC(C#N)(c1ccccc1)c1ccccc1)[C@H](C)CO ZINC000428836676 338061738 /nfs/dbraw/zinc/06/17/38/338061738.db2.gz VDKNWZUQPLLTGB-GOSISDBHSA-N 0 3 322.452 3.589 20 30 DHEDHN C=CCN(CCN(C)Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000429693890 338087449 /nfs/dbraw/zinc/08/74/49/338087449.db2.gz CQLGCDFGKOAOLA-UHFFFAOYSA-N 0 3 319.452 3.678 20 30 DHEDHN Cc1ccc2c(C[N@H+](C)Cc3ccc(C#N)cc3)ccc([O-])c2n1 ZINC000429711273 338088089 /nfs/dbraw/zinc/08/80/89/338088089.db2.gz OYXUIIPJARKKOP-UHFFFAOYSA-N 0 3 317.392 3.753 20 30 DHEDHN Cc1ccc2c(C[N@@H+](C)Cc3ccc(C#N)cc3)ccc([O-])c2n1 ZINC000429711273 338088090 /nfs/dbraw/zinc/08/80/90/338088090.db2.gz OYXUIIPJARKKOP-UHFFFAOYSA-N 0 3 317.392 3.753 20 30 DHEDHN Cc1ccc2c(CN(C)Cc3ccc(C#N)cc3)ccc(O)c2n1 ZINC000429711273 338088091 /nfs/dbraw/zinc/08/80/91/338088091.db2.gz OYXUIIPJARKKOP-UHFFFAOYSA-N 0 3 317.392 3.753 20 30 DHEDHN Clc1ccc(C#CCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000429725695 338088527 /nfs/dbraw/zinc/08/85/27/338088527.db2.gz PLPFRTULVHPHHK-KSZLIROESA-N 0 3 315.844 3.629 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000429810359 338090483 /nfs/dbraw/zinc/09/04/83/338090483.db2.gz BEJIYCOMWUJWEE-GOSISDBHSA-N 0 3 314.473 3.760 20 30 DHEDHN CC(C)c1ccccc1NC(=O)C[C@H](C)NCC1(CC#N)CC1 ZINC000430739737 338112934 /nfs/dbraw/zinc/11/29/34/338112934.db2.gz FBKXIZPEOXGWGV-HNNXBMFYSA-N 0 3 313.445 3.811 20 30 DHEDHN CN(CCSc1ccc(Cl)c(C#N)n1)Cc1ccccc1 ZINC000432917278 338172883 /nfs/dbraw/zinc/17/28/83/338172883.db2.gz KYZZGYQARPVASE-UHFFFAOYSA-N 0 3 317.845 3.831 20 30 DHEDHN Cc1ccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)cc1 ZINC000433012653 338176112 /nfs/dbraw/zinc/17/61/12/338176112.db2.gz ULRLUHSLNSBLAX-LJQANCHMSA-N 0 3 321.424 3.958 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccc(Cl)c1 ZINC000433106126 338182139 /nfs/dbraw/zinc/18/21/39/338182139.db2.gz QPKUSNUIXQZELY-INIZCTEOSA-N 0 3 312.800 3.729 20 30 DHEDHN C[C@@H](CCc1ccccc1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433128153 338182584 /nfs/dbraw/zinc/18/25/84/338182584.db2.gz VWFHWCMZXDTNIB-PXNSSMCTSA-N 0 3 320.436 3.896 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1ccccc1)C1CC1 ZINC000433225108 338186493 /nfs/dbraw/zinc/18/64/93/338186493.db2.gz GJMVICMRHCRFKO-LJQANCHMSA-N 0 3 318.420 3.950 20 30 DHEDHN CCN(C(=O)C(C#N)CCc1ccccc1)[C@H](C)c1cccnc1 ZINC000433351180 338193722 /nfs/dbraw/zinc/19/37/22/338193722.db2.gz FECKKNUKEZSUTK-SJLPKXTDSA-N 0 3 321.424 3.764 20 30 DHEDHN C[C@](CO)(NCC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000438061906 338329290 /nfs/dbraw/zinc/32/92/90/338329290.db2.gz VEVPVNUPMUCSPF-GOSISDBHSA-N 0 3 305.849 3.612 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000438086749 338330646 /nfs/dbraw/zinc/33/06/46/338330646.db2.gz UZKNTWRWRTXPBV-QGZVFWFLSA-N 0 3 324.399 3.771 20 30 DHEDHN N#Cc1ccc(OCCNCc2ccc(Cl)cc2F)cc1 ZINC000438192729 338335853 /nfs/dbraw/zinc/33/58/53/338335853.db2.gz RHTLWUJTWNBWCD-UHFFFAOYSA-N 0 3 304.752 3.519 20 30 DHEDHN CC(C)[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000438485501 338345862 /nfs/dbraw/zinc/34/58/62/338345862.db2.gz LQVGONXTQKIQIX-OCCSQVGLSA-N 0 3 319.836 3.517 20 30 DHEDHN CC1(C)CN(Cc2cccc(C#N)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440558478 338390284 /nfs/dbraw/zinc/39/02/84/338390284.db2.gz WZFRDJKOLIVSBU-BPAFIMBUSA-N 0 3 310.441 3.728 20 30 DHEDHN COc1cc(CN[C@@H](C)COc2c(C)cccc2C)ccc1C#N ZINC000440810016 338397971 /nfs/dbraw/zinc/39/79/71/338397971.db2.gz BWXVLKSGDADQQN-INIZCTEOSA-N 0 3 324.424 3.741 20 30 DHEDHN Cc1ccc(C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccn2)cc1 ZINC000442763676 338429845 /nfs/dbraw/zinc/42/98/45/338429845.db2.gz BHSMLJDPZRFDMY-NSHGMRRFSA-N 0 3 305.425 3.956 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000442788683 338431447 /nfs/dbraw/zinc/43/14/47/338431447.db2.gz XGMXJAQBYFXRHD-AXAPSJFSSA-N 0 3 306.356 3.947 20 30 DHEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OCC(F)(F)F)c1 ZINC000442795382 338432008 /nfs/dbraw/zinc/43/20/08/338432008.db2.gz UDJJAWRZNRKJIT-GXTWGEPZSA-N 0 3 312.335 3.718 20 30 DHEDHN Cc1ccc(NC2CCC(C)(C#N)CC2)c(OCCN(C)C)c1 ZINC000449054915 338588744 /nfs/dbraw/zinc/58/87/44/338588744.db2.gz SCEBDANPWMQZBP-UHFFFAOYSA-N 0 3 315.461 3.820 20 30 DHEDHN C=CCCCC[C@@H](C)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000449218795 338603454 /nfs/dbraw/zinc/60/34/54/338603454.db2.gz KVOUJEORXNDBDH-LLVKDONJSA-N 0 3 314.351 3.767 20 30 DHEDHN C=C(C)COc1cc(CNCc2ccnc(C)c2)ccc1OC ZINC000449403864 338621458 /nfs/dbraw/zinc/62/14/58/338621458.db2.gz RTAHJLWSTPEFNR-UHFFFAOYSA-N 0 3 312.413 3.643 20 30 DHEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@@H](c2cccnc2)C1 ZINC000449539808 338635826 /nfs/dbraw/zinc/63/58/26/338635826.db2.gz WYDGDSIPCUAHDA-AZUAARDMSA-N 0 3 324.424 3.656 20 30 DHEDHN COc1cccc([C@H]2C[C@H](NCc3ccc(C#N)cc3F)C2)c1 ZINC000449616593 338641571 /nfs/dbraw/zinc/64/15/71/338641571.db2.gz DLEIVMDIZGHLBJ-QAQDUYKDSA-N 0 3 310.372 3.742 20 30 DHEDHN C=C(CC)CNCC1=Cc2cc(Br)ccc2OC1 ZINC000449737177 338649257 /nfs/dbraw/zinc/64/92/57/338649257.db2.gz YILXCJBQHDFUSI-UHFFFAOYSA-N 0 3 308.219 3.781 20 30 DHEDHN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[C@@H](C)C1 ZINC000452060317 338752336 /nfs/dbraw/zinc/75/23/36/338752336.db2.gz DGZUKFIHSLOWNU-JKIFEVAISA-N 0 3 324.428 3.913 20 30 DHEDHN C=C(C)CCN[C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000453328145 338825595 /nfs/dbraw/zinc/82/55/95/338825595.db2.gz WODPTRSQUUFBAZ-GFCCVEGCSA-N 0 3 304.825 3.846 20 30 DHEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000453343205 338828030 /nfs/dbraw/zinc/82/80/30/338828030.db2.gz GKOSESANZFHUKE-PWSUYJOCSA-N 0 3 319.779 3.919 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000454458910 338864249 /nfs/dbraw/zinc/86/42/49/338864249.db2.gz GDMNOYURXMSYKA-ULQDDVLXSA-N 0 3 321.509 3.541 20 30 DHEDHN CCO[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)[C@H]1SC ZINC000459447307 339029634 /nfs/dbraw/zinc/02/96/34/339029634.db2.gz JGLDFTXCXCKZRZ-YYIAUSFCSA-N 0 3 304.459 3.530 20 30 DHEDHN Cc1cc(C)c(NC(=O)CCCN[C@H]2CCC[C@H]2C#N)c(C)c1 ZINC000459458662 339030223 /nfs/dbraw/zinc/03/02/23/339030223.db2.gz FQHQZTKNUIGDCW-IRXDYDNUSA-N 0 3 313.445 3.612 20 30 DHEDHN C[C@H]1CCCC[C@@]1(C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000459614404 339038571 /nfs/dbraw/zinc/03/85/71/339038571.db2.gz OFZVITSXPDUULL-SCLBCKFNSA-N 0 3 310.401 3.667 20 30 DHEDHN CN(c1ccccc1)c1ccc(CNCC(C)(C)CC#N)cn1 ZINC000459733534 339044930 /nfs/dbraw/zinc/04/49/30/339044930.db2.gz QDTVSHYSFFORLS-UHFFFAOYSA-N 0 3 308.429 3.879 20 30 DHEDHN Cn1cc(CNCC(C)(C)CC#N)c(-c2ccccc2Cl)n1 ZINC000459738012 339045362 /nfs/dbraw/zinc/04/53/62/339045362.db2.gz XEYQZAIWWLBBGH-UHFFFAOYSA-N 0 3 316.836 3.770 20 30 DHEDHN COc1ccc(-c2ccncc2)cc1CNCC(C)(C)CC#N ZINC000459738026 339045424 /nfs/dbraw/zinc/04/54/24/339045424.db2.gz XGCVSTJYRVGCKI-UHFFFAOYSA-N 0 3 309.413 3.787 20 30 DHEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C12CCC2 ZINC000459797518 339049208 /nfs/dbraw/zinc/04/92/08/339049208.db2.gz WYNJLTNURIPVKY-CABCVRRESA-N 0 3 324.346 3.624 20 30 DHEDHN O[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1C1CCCC1 ZINC000459801662 339049234 /nfs/dbraw/zinc/04/92/34/339049234.db2.gz LHWDBEFNVZCMFO-RBUKOAKNSA-N 0 3 317.860 3.565 20 30 DHEDHN CC[C@@H]1CN(c2ccccc2)CCN1Cc1ccc(CC#N)cc1 ZINC000461369738 339062579 /nfs/dbraw/zinc/06/25/79/339062579.db2.gz IABZUEMABNWDRK-HXUWFJFHSA-N 0 3 319.452 3.853 20 30 DHEDHN Cc1nc(N[C@H]2CCN(CC3CCCC3)C2)c(Cl)cc1C#N ZINC000461944493 339069452 /nfs/dbraw/zinc/06/94/52/339069452.db2.gz ATZFOQDYZDXHKP-HNNXBMFYSA-N 0 3 318.852 3.592 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462807451 339090435 /nfs/dbraw/zinc/09/04/35/339090435.db2.gz SEPOWXYGGBRMOC-STQMWFEESA-N 0 3 320.433 3.784 20 30 DHEDHN CCC1(CC)CN(Cc2ccc(OC)c(C#N)c2)CCS1 ZINC000464583039 339146058 /nfs/dbraw/zinc/14/60/58/339146058.db2.gz QKTNZFFZDIGNBV-UHFFFAOYSA-N 0 3 304.459 3.674 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)C[C@H]1CC)C(C)C ZINC000465543913 339179169 /nfs/dbraw/zinc/17/91/69/339179169.db2.gz KZTUIMMEMATAAB-RCCFBDPRSA-N 0 3 321.509 3.515 20 30 DHEDHN C=CC[C@H](CC)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000466379518 339201604 /nfs/dbraw/zinc/20/16/04/339201604.db2.gz YSWNLKCJEADJNL-KRWDZBQOSA-N 0 3 317.477 3.551 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466440837 339205164 /nfs/dbraw/zinc/20/51/64/339205164.db2.gz JGLLDZGIXDKGEY-PKOBYXMFSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCC[C@H](CC)NCc1ccncc1OCC(F)(F)F ZINC000467435703 339238511 /nfs/dbraw/zinc/23/85/11/339238511.db2.gz ZFZCTBWUYFEOGE-ZDUSSCGKSA-N 0 3 302.340 3.857 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000467505985 339240466 /nfs/dbraw/zinc/24/04/66/339240466.db2.gz YNBZXDXIEJYXJQ-IEBWSBKVSA-N 0 3 302.462 3.570 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000467840976 339247425 /nfs/dbraw/zinc/24/74/25/339247425.db2.gz KKWKSZVUZFUUAC-QUCCMNQESA-N 0 3 314.473 3.850 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@](C)(CC)C1 ZINC000468126586 339254793 /nfs/dbraw/zinc/25/47/93/339254793.db2.gz LADXPRSPGTWUGB-MAUKXSAKSA-N 0 3 320.502 3.773 20 30 DHEDHN CC(C#N)C(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000468713986 339269274 /nfs/dbraw/zinc/26/92/74/339269274.db2.gz KQSSUXQVYJSEJT-UONOGXRCSA-N 0 3 312.438 3.842 20 30 DHEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000469378556 339287413 /nfs/dbraw/zinc/28/74/13/339287413.db2.gz HKCHRFGYXXBORE-RISCZKNCSA-N 0 3 310.319 3.919 20 30 DHEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCc2ccccc21 ZINC000469522149 339292462 /nfs/dbraw/zinc/29/24/62/339292462.db2.gz OIIPFKDFZGXMFK-ICSRJNTNSA-N 0 3 318.420 3.905 20 30 DHEDHN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CCCC(C)(C)C#N ZINC000472238147 339367078 /nfs/dbraw/zinc/36/70/78/339367078.db2.gz FZTZDFUFWAHPIZ-SJORKVTESA-N 0 3 320.477 3.760 20 30 DHEDHN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1CCCC(C)(C)C#N ZINC000472238143 339367087 /nfs/dbraw/zinc/36/70/87/339367087.db2.gz FZTZDFUFWAHPIZ-IAGOWNOFSA-N 0 3 320.477 3.760 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000472581112 339374167 /nfs/dbraw/zinc/37/41/67/339374167.db2.gz MEAGTRNLVJTDOQ-HZPDHXFCSA-N 0 3 324.262 3.913 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000472956100 339379410 /nfs/dbraw/zinc/37/94/10/339379410.db2.gz UHIAWWNFBUVYSM-GOSISDBHSA-N 0 3 301.430 3.502 20 30 DHEDHN C=CCC[C@@H](CC)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000475573365 339456053 /nfs/dbraw/zinc/45/60/53/339456053.db2.gz HVWDGVQQBZPTBK-OCCSQVGLSA-N 0 3 317.351 3.953 20 30 DHEDHN C[C@H](NC[C@@](C)(O)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000477866478 339503299 /nfs/dbraw/zinc/50/32/99/339503299.db2.gz SVULEYLAOCUYNW-SCLBCKFNSA-N 0 3 304.409 3.679 20 30 DHEDHN C=C(C)[C@H](NC(=O)[C@H](CC)N(CC)CC)c1ccc(F)c(F)c1 ZINC000478908784 339524330 /nfs/dbraw/zinc/52/43/30/339524330.db2.gz JCCHZWOTWJQCIH-IRXDYDNUSA-N 0 3 324.415 3.819 20 30 DHEDHN CC(C)c1cccc(CNCc2cnc3ccc(C#N)cn23)c1 ZINC000479423155 339534377 /nfs/dbraw/zinc/53/43/77/339534377.db2.gz LTWVXUOOQLAETQ-UHFFFAOYSA-N 0 3 304.397 3.619 20 30 DHEDHN COC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCC(C)CC1 ZINC000479495188 339538094 /nfs/dbraw/zinc/53/80/94/339538094.db2.gz FSDDNOSTMOTYLZ-FVRSWCFKSA-N 0 3 304.409 3.943 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2CCCCC)CC1 ZINC000487667308 339760662 /nfs/dbraw/zinc/76/06/62/339760662.db2.gz OAYXVYGQMUOSBF-SFHVURJKSA-N 0 3 321.509 3.781 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C#N)c(C)c2)c1 ZINC000488153005 339772016 /nfs/dbraw/zinc/77/20/16/339772016.db2.gz RIISAZJJJWAWKK-CQSZACIVSA-N 0 3 307.397 3.676 20 30 DHEDHN N#CCC1(CN[C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494962211 339967291 /nfs/dbraw/zinc/96/72/91/339967291.db2.gz ULLWJBLMZHWHAA-YOEHRIQHSA-N 0 3 302.393 3.577 20 30 DHEDHN C=CCC[C@H](O)CN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500158394 340051629 /nfs/dbraw/zinc/05/16/29/340051629.db2.gz IQJKXVGAQHKHCI-INIZCTEOSA-N 0 3 311.828 3.928 20 30 DHEDHN C=CC[C@@H](CC)N[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000500818497 340067757 /nfs/dbraw/zinc/06/77/57/340067757.db2.gz VISVBEKMNZCEFK-MSOLQXFVSA-N 0 3 300.446 3.685 20 30 DHEDHN COc1ccc(C#N)cc1N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000500968168 340071117 /nfs/dbraw/zinc/07/11/17/340071117.db2.gz FQTONYCTTRYSMQ-MAUKXSAKSA-N 0 3 321.424 3.814 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000501307747 340078416 /nfs/dbraw/zinc/07/84/16/340078416.db2.gz MDHFUDHTVYQYSX-GOSISDBHSA-N 0 3 314.473 3.616 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCC[C@@H]1C ZINC000501927476 340090773 /nfs/dbraw/zinc/09/07/73/340090773.db2.gz HZTQSIIGHBWONY-UONOGXRCSA-N 0 3 304.459 3.681 20 30 DHEDHN FC(F)O[C@@H]1CCCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000502512418 340106524 /nfs/dbraw/zinc/10/65/24/340106524.db2.gz WEVHZMXFZYEWIN-HUUCEWRRSA-N 0 3 313.775 3.832 20 30 DHEDHN COc1ccc(CCN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502530268 340107074 /nfs/dbraw/zinc/10/70/74/340107074.db2.gz JVOGTXCKVVRZMZ-UHFFFAOYSA-N 0 3 318.420 3.899 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(C)cc1)C(C)C ZINC000503413158 340127742 /nfs/dbraw/zinc/12/77/42/340127742.db2.gz XHMWDHFEZDMTOE-GOSISDBHSA-N 0 3 315.461 3.815 20 30 DHEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000504992766 340158144 /nfs/dbraw/zinc/15/81/44/340158144.db2.gz VPSRVUQYSYPFCB-NVXWUHKLSA-N 0 3 302.462 3.705 20 30 DHEDHN CN(C)Cc1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000505343542 340166538 /nfs/dbraw/zinc/16/65/38/340166538.db2.gz LGHYKKXXRFWATQ-UHFFFAOYSA-N 0 3 313.788 3.526 20 30 DHEDHN COCCN(C)CC[C@H](Nc1ccc(C#N)cc1)c1ccccc1 ZINC000505577397 340171569 /nfs/dbraw/zinc/17/15/69/340171569.db2.gz VKLAXTWFGMESFK-FQEVSTJZSA-N 0 3 323.440 3.680 20 30 DHEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2cccc(F)c2C#N)C1 ZINC000507022540 340205585 /nfs/dbraw/zinc/20/55/85/340205585.db2.gz OXQGNAWHQUCCHR-ZBFHGGJFSA-N 0 3 309.388 3.945 20 30 DHEDHN Cc1ccccc1[C@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000507181445 340211534 /nfs/dbraw/zinc/21/15/34/340211534.db2.gz QVBCKPOTPNZWQU-SFHVURJKSA-N 0 3 306.409 3.735 20 30 DHEDHN C=C(C)CCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000509261023 340264804 /nfs/dbraw/zinc/26/48/04/340264804.db2.gz ZWMKSLRJEMDKAM-CABCVRRESA-N 0 3 300.229 3.850 20 30 DHEDHN C=C(C)CCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000509348621 340266868 /nfs/dbraw/zinc/26/68/68/340266868.db2.gz RZNWVRLISZXNAI-UHFFFAOYSA-N 0 3 321.852 3.846 20 30 DHEDHN C=CC[C@H](CO)CN[C@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000510686117 340306615 /nfs/dbraw/zinc/30/66/15/340306615.db2.gz UGZGBTMZPRAECS-OXJNMPFZSA-N 0 3 313.416 3.998 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2ccccc2OC1)c1ccc(C#N)cc1F ZINC000511007643 340318016 /nfs/dbraw/zinc/31/80/16/340318016.db2.gz BSIHCCWLCVBFKQ-CZUORRHYSA-N 0 3 310.372 3.742 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC000511141618 340322156 /nfs/dbraw/zinc/32/21/56/340322156.db2.gz CIKUWRXWZSNEMY-QGZVFWFLSA-N 0 3 306.494 3.750 20 30 DHEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1c(F)cc(C#N)cc1F ZINC000303444011 340325719 /nfs/dbraw/zinc/32/57/19/340325719.db2.gz IISSFVKAAXWVRU-FRRDWIJNSA-N 0 3 307.388 3.615 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1c(CC)nn(C)c1CC ZINC000512052789 340346794 /nfs/dbraw/zinc/34/67/94/340346794.db2.gz OGJPDYQIQNSOLC-UHFFFAOYSA-N 0 3 311.473 3.776 20 30 DHEDHN CCC[C@]1(NCC#Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000512259793 340354531 /nfs/dbraw/zinc/35/45/31/340354531.db2.gz LDJWMWBNBNTHBA-INIZCTEOSA-N 0 3 311.347 3.606 20 30 DHEDHN COc1ccccc1C[C@H](C)N(C)CCOc1ccccc1C#N ZINC000303931806 340354806 /nfs/dbraw/zinc/35/48/06/340354806.db2.gz QRLFLCHTSMBUQX-INIZCTEOSA-N 0 3 324.424 3.509 20 30 DHEDHN CC(C)C[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000512287699 340355554 /nfs/dbraw/zinc/35/55/54/340355554.db2.gz JXHUYJPSKUCFPZ-CWRNSKLLSA-N 0 3 304.409 3.942 20 30 DHEDHN C[C@@H](O)C[C@H]1CCCCCN1CC#Cc1ccc(Cl)cc1 ZINC000512440039 340361970 /nfs/dbraw/zinc/36/19/70/340361970.db2.gz ZMUNSMQBJMPRAY-CRAIPNDOSA-N 0 3 305.849 3.707 20 30 DHEDHN C[C@H](O)C[C@H]1CCCCCN1CC#Cc1cccc(Cl)c1 ZINC000512464336 340362790 /nfs/dbraw/zinc/36/27/90/340362790.db2.gz WNHMMWGFYFRHJH-MAUKXSAKSA-N 0 3 305.849 3.707 20 30 DHEDHN COc1ccc(C)cc1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512615119 340369162 /nfs/dbraw/zinc/36/91/62/340369162.db2.gz XWYRDDZGVBAKMU-AWEZNQCLSA-N 0 3 312.388 3.908 20 30 DHEDHN C[C@@H](NCCOc1ccc(F)cc1F)c1ccc(C#N)cc1F ZINC000512631418 340370112 /nfs/dbraw/zinc/37/01/12/340370112.db2.gz QWZDXSAFYRRERQ-LLVKDONJSA-N 0 3 320.314 3.705 20 30 DHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000512659108 340371406 /nfs/dbraw/zinc/37/14/06/340371406.db2.gz CXBNVROYHYUTDA-STQMWFEESA-N 0 3 316.351 3.955 20 30 DHEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000512659105 340371408 /nfs/dbraw/zinc/37/14/08/340371408.db2.gz CXBNVROYHYUTDA-CHWSQXEVSA-N 0 3 316.351 3.955 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2[C@@H](C)CC)CC1 ZINC000523433332 340623876 /nfs/dbraw/zinc/62/38/76/340623876.db2.gz NEFWYJDDSXVINW-WMZOPIPTSA-N 0 3 321.509 3.637 20 30 DHEDHN Cc1cc(C)cc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000538206080 340813141 /nfs/dbraw/zinc/81/31/41/340813141.db2.gz CTFUTHWTZHCYKL-CVEARBPZSA-N 0 3 321.424 3.853 20 30 DHEDHN C[C@H](NCCOc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000538394157 340820609 /nfs/dbraw/zinc/82/06/09/340820609.db2.gz PMUCOKVXVWMTPS-ZDUSSCGKSA-N 0 3 300.789 3.941 20 30 DHEDHN Cc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1[N+](=O)[O-] ZINC000542253177 341002128 /nfs/dbraw/zinc/00/21/28/341002128.db2.gz JXXWALJFFHDZEU-CQSZACIVSA-N 0 3 309.369 3.820 20 30 DHEDHN CN(C[C@H]1CCCN(CCC(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000131373794 341082569 /nfs/dbraw/zinc/08/25/69/341082569.db2.gz NKYXCLZROHGQES-OAHLLOKOSA-N 0 3 323.481 3.505 20 30 DHEDHN C=CC[C@@H](CO)NCc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000545254092 341117645 /nfs/dbraw/zinc/11/76/45/341117645.db2.gz NJKMUESZHPMKBP-INIZCTEOSA-N 0 3 313.397 3.514 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000133733631 341183630 /nfs/dbraw/zinc/18/36/30/341183630.db2.gz NQSRMOZQJJGTQY-LJQANCHMSA-N 0 3 312.457 3.536 20 30 DHEDHN OCC[C@@H](NCC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000546934233 341187441 /nfs/dbraw/zinc/18/74/41/341187441.db2.gz TYZYBJWAHSMEBO-GOSISDBHSA-N 0 3 305.849 3.612 20 30 DHEDHN C=CCc1cc(CN(C)[C@H](CC)CSC)cc(OC)c1O ZINC000564322776 341218105 /nfs/dbraw/zinc/21/81/05/341218105.db2.gz AKTOWVLPHYZVGB-OAHLLOKOSA-N 0 3 309.475 3.703 20 30 DHEDHN C=CC[C@@H](C(=O)N1CCCN(C(C)(C)C)CC1)c1ccccc1 ZINC000547650905 341225115 /nfs/dbraw/zinc/22/51/15/341225115.db2.gz PGRIAIUNRNMWLW-GOSISDBHSA-N 0 3 314.473 3.679 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)CCCc2ccc(C)s2)CC1 ZINC000079542200 341261025 /nfs/dbraw/zinc/26/10/25/341261025.db2.gz JHYRKBJKUMYZAT-UHFFFAOYSA-N 0 3 320.502 3.536 20 30 DHEDHN C[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000548730344 341270904 /nfs/dbraw/zinc/27/09/04/341270904.db2.gz XZTKMGCEWXAWSV-BLLLJJGKSA-N 0 3 319.836 3.661 20 30 DHEDHN CCN(CCOc1ccc(C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000080931193 341276899 /nfs/dbraw/zinc/27/68/99/341276899.db2.gz NVXJYRQLFPMSAE-OAHLLOKOSA-N 0 3 310.397 3.726 20 30 DHEDHN CSc1ccc([C@@H](CNc2ccc(C#N)cc2)N(C)C)cc1 ZINC000549285371 341290334 /nfs/dbraw/zinc/29/03/34/341290334.db2.gz GNMBBORGOZZBHZ-GOSISDBHSA-N 0 3 311.454 3.995 20 30 DHEDHN C=CCC(C)(C)c1noc(-c2ccccc2OCCN(C)C)n1 ZINC000551471218 341342556 /nfs/dbraw/zinc/34/25/56/341342556.db2.gz BHAOTMWFLUQZTO-UHFFFAOYSA-N 0 3 315.417 3.531 20 30 DHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc2ccccc2n1 ZINC000090106952 341413458 /nfs/dbraw/zinc/41/34/58/341413458.db2.gz CBEITZFFKTUEME-HNNXBMFYSA-N 0 3 317.392 3.836 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000090883525 341419991 /nfs/dbraw/zinc/41/99/91/341419991.db2.gz HEODZHLZPOWZKA-LBPRGKRZSA-N 0 3 313.825 3.601 20 30 DHEDHN CC1CC(C#N)(C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000567810584 341634561 /nfs/dbraw/zinc/63/45/61/341634561.db2.gz LKAUMZIQZQOQDB-UHFFFAOYSA-N 0 3 311.429 3.551 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](NCCOc1cccc(Cl)c1)CC2 ZINC000573977228 341744857 /nfs/dbraw/zinc/74/48/57/341744857.db2.gz SOHHLENTSHOGJK-GOSISDBHSA-N 0 3 312.800 3.868 20 30 DHEDHN N#C[C@H]1CC[C@H](N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000575851300 341810343 /nfs/dbraw/zinc/81/03/43/341810343.db2.gz IIICIWSVIKQSQK-GUYCJALGSA-N 0 3 316.832 3.927 20 30 DHEDHN COc1cc(CNCc2ccc(CC#N)cc2)ccc1SC ZINC000575922358 341814780 /nfs/dbraw/zinc/81/47/80/341814780.db2.gz UODGOBPHJNYONM-UHFFFAOYSA-N 0 3 312.438 3.773 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)cc1 ZINC000173938690 341821855 /nfs/dbraw/zinc/82/18/55/341821855.db2.gz MZIYCRLAJLBNMF-KBPBESRZSA-N 0 3 319.408 3.855 20 30 DHEDHN C=C[C@@H](CC(=O)N(CCC)CCN1CCCC1)c1ccccc1 ZINC000577214113 341897866 /nfs/dbraw/zinc/89/78/66/341897866.db2.gz XKWFZNDZYVUDTA-SFHVURJKSA-N 0 3 314.473 3.681 20 30 DHEDHN N#Cc1ccc(CNCCSCc2ccccc2F)s1 ZINC000176942393 341905585 /nfs/dbraw/zinc/90/55/85/341905585.db2.gz YUVLBPNRPBBWAT-UHFFFAOYSA-N 0 3 306.431 3.782 20 30 DHEDHN CC(C)COc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000191317962 519763685 /nfs/dbraw/zinc/76/36/85/519763685.db2.gz VIHRTKLHMSUUDX-OAHLLOKOSA-N 0 3 311.429 3.782 20 30 DHEDHN CC(C)Oc1ccc([C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181763104 519781677 /nfs/dbraw/zinc/78/16/77/519781677.db2.gz QHCXHSVDNVQDAC-YWZLYKJASA-N 0 3 324.424 3.730 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2ccccc2F)C1 ZINC000339383159 523528860 /nfs/dbraw/zinc/52/88/60/523528860.db2.gz YNNQGPZRZOLMHN-OAHLLOKOSA-N 0 3 310.372 3.695 20 30 DHEDHN COc1ccccc1[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000157985864 524756489 /nfs/dbraw/zinc/75/64/89/524756489.db2.gz IJJDZTYOZMZYFK-OAHLLOKOSA-N 0 3 310.372 3.695 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000181670858 525449391 /nfs/dbraw/zinc/44/93/91/525449391.db2.gz HYMWGYZKCRAICD-AWEZNQCLSA-N 0 3 308.381 3.570 20 30 DHEDHN C[C@H](NCc1cccc(-n2cccn2)c1)c1ccc(C#N)cc1 ZINC000338352153 525453252 /nfs/dbraw/zinc/45/32/52/525453252.db2.gz HIMUOUDYTUALGJ-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN C[C@@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(C#N)cc1 ZINC000266435121 525526435 /nfs/dbraw/zinc/52/64/35/525526435.db2.gz FGZPDLDBWHRAGE-MRXNPFEDSA-N 0 3 320.440 3.794 20 30 DHEDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1CO)c1ccc(C#N)cc1 ZINC000365104294 525642241 /nfs/dbraw/zinc/64/22/41/525642241.db2.gz HSOSXNYQSPLTBH-ADLFWFRXSA-N 0 3 306.409 3.505 20 30 DHEDHN Cc1nc2c(s1)CCC[C@@H]2CN(C)Cc1ccc(C#N)s1 ZINC000373593038 527103938 /nfs/dbraw/zinc/10/39/38/527103938.db2.gz LIKFSHLLPZGGCK-GFCCVEGCSA-N 0 3 317.483 3.937 20 30 DHEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](C)C(C)(C)C ZINC001573341948 947536757 /nfs/dbraw/zinc/53/67/57/947536757.db2.gz RQSIDZBPUGFPJX-CQSZACIVSA-N 0 3 313.449 3.537 20 30 DHEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](C)C(C)(C)C ZINC001573341948 947536765 /nfs/dbraw/zinc/53/67/65/947536765.db2.gz RQSIDZBPUGFPJX-CQSZACIVSA-N 0 3 313.449 3.537 20 30 DHEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](C)C(C)(C)C ZINC001573341948 947536775 /nfs/dbraw/zinc/53/67/75/947536775.db2.gz RQSIDZBPUGFPJX-CQSZACIVSA-N 0 3 313.449 3.537 20 30 DHEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](C)C(C)(C)C ZINC001573341948 947536783 /nfs/dbraw/zinc/53/67/83/947536783.db2.gz RQSIDZBPUGFPJX-CQSZACIVSA-N 0 3 313.449 3.537 20 30 DHEDHN C=CCCCCN1Cc2cn(CC3CC3)nc2[C@H](COCC)C1 ZINC001209200058 1013082567 /nfs/dbraw/zinc/08/25/67/1013082567.db2.gz FTISKXGGIHIBCD-SFHVURJKSA-N 0 3 317.477 3.585 20 30 DHEDHN C=CCCCCCCCCN1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001209442325 1013292201 /nfs/dbraw/zinc/29/22/01/1013292201.db2.gz FRYIYHKSFHESFF-GOSISDBHSA-N 0 3 319.493 3.882 20 30 DHEDHN CO[C@@H]1CCC[C@@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000796656509 1013456983 /nfs/dbraw/zinc/45/69/83/1013456983.db2.gz WZTLZPUJAAYZQN-MGPQQGTHSA-N 0 3 312.369 3.599 20 30 DHEDHN C#C[C@@H](NC1CCSCC1)c1ccc(Br)cc1 ZINC000894871499 1013573979 /nfs/dbraw/zinc/57/39/79/1013573979.db2.gz WFLNIKRCUUSMAL-CQSZACIVSA-N 0 3 310.260 3.609 20 30 DHEDHN C[C@H](CN1CCCCC1)NC(=O)c1coc(C2CCCCC2)n1 ZINC000328752228 1013794952 /nfs/dbraw/zinc/79/49/52/1013794952.db2.gz RJVZTEFGEKEXCE-CQSZACIVSA-N 0 3 319.449 3.901 20 30 DHEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000328865452 1013802721 /nfs/dbraw/zinc/80/27/21/1013802721.db2.gz BSSNESSTTNTTLL-BLLLJJGKSA-N 0 3 315.417 3.723 20 30 DHEDHN C[N@H+](CCNC(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC000330471200 1013818117 /nfs/dbraw/zinc/81/81/17/1013818117.db2.gz NJJRPYVPJXMZNG-UHFFFAOYSA-N 0 3 310.825 3.615 20 30 DHEDHN C[N@@H+](CCNC(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC000330471200 1013818125 /nfs/dbraw/zinc/81/81/25/1013818125.db2.gz NJJRPYVPJXMZNG-UHFFFAOYSA-N 0 3 310.825 3.615 20 30 DHEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)Cc2ccccc2O1 ZINC000561793396 1032076213 /nfs/dbraw/zinc/07/62/13/1032076213.db2.gz HIVFGRHJHAQWNV-UHFFFAOYSA-N 0 3 306.409 3.926 20 30 DHEDHN C=CCCN(C)Cc1ccc(OC)cc1OCc1cccnc1 ZINC000683715812 1013897989 /nfs/dbraw/zinc/89/79/89/1013897989.db2.gz YQCBSPBZMJVXCT-UHFFFAOYSA-N 0 3 312.413 3.677 20 30 DHEDHN C=CCC1(C(=O)NCCN(C)Cc2ccccc2)CCCCC1 ZINC001125431854 1014071544 /nfs/dbraw/zinc/07/15/44/1014071544.db2.gz LPVUSUAFPYSLIU-UHFFFAOYSA-N 0 3 314.473 3.761 20 30 DHEDHN C=CCCCCN(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001167386212 1014104120 /nfs/dbraw/zinc/10/41/20/1014104120.db2.gz BMCKHKSVSAHZKK-INIZCTEOSA-N 0 3 306.837 3.733 20 30 DHEDHN C=CCC[C@H](C(=O)NC1CCN(CC=C)CC1)c1ccccc1 ZINC000189277227 1014169311 /nfs/dbraw/zinc/16/93/11/1014169311.db2.gz VXWWRZYBQDZMRT-IBGZPJMESA-N 0 3 312.457 3.503 20 30 DHEDHN N#Cc1ccc(CN2CCC(CCCn3ccnc3)CC2)s1 ZINC000349380119 1014675129 /nfs/dbraw/zinc/67/51/29/1014675129.db2.gz DPDJOEAGYWIWSA-UHFFFAOYSA-N 0 3 314.458 3.509 20 30 DHEDHN CC(C)N(CCc1nccs1)Cc1cccc(C#N)c1F ZINC000340970664 1014714965 /nfs/dbraw/zinc/71/49/65/1014714965.db2.gz UPPLMVACSPYRLW-UHFFFAOYSA-N 0 3 303.406 3.607 20 30 DHEDHN C=CCC[C@@H](NC[C@H](O)c1ccc(OC)cc1)c1ccco1 ZINC000276387647 1015046687 /nfs/dbraw/zinc/04/66/87/1015046687.db2.gz AYMSNFFEUADAKS-SJORKVTESA-N 0 3 301.386 3.619 20 30 DHEDHN CSc1ccc(CNC[C@H]2CC2(Cl)Cl)cc1C#N ZINC000895777435 1015299377 /nfs/dbraw/zinc/29/93/77/1015299377.db2.gz TZILKPCGTBYLGQ-LLVKDONJSA-N 0 3 301.242 3.564 20 30 DHEDHN C=CCC1(O)CCN(Cc2cc3ccccc3cc2OC)CC1 ZINC000895833946 1015326643 /nfs/dbraw/zinc/32/66/43/1015326643.db2.gz GGDYJOZPCZMSBB-UHFFFAOYSA-N 0 3 311.425 3.751 20 30 DHEDHN C=CCOc1c(Cl)cc(CN(C)CCCF)cc1OC ZINC000895896640 1015358369 /nfs/dbraw/zinc/35/83/69/1015358369.db2.gz XTFQQNAQFIJJJS-UHFFFAOYSA-N 0 3 301.789 3.705 20 30 DHEDHN N#Cc1cccc(NC(=O)CN(CC2CCCCC2)C2CC2)c1 ZINC000581931750 1015564882 /nfs/dbraw/zinc/56/48/82/1015564882.db2.gz BMZHKMGJTVYIRV-UHFFFAOYSA-N 0 3 311.429 3.541 20 30 DHEDHN COC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000341659731 1015644679 /nfs/dbraw/zinc/64/46/79/1015644679.db2.gz QHYIAGZITNRJBB-PMACEKPBSA-N 0 3 306.409 3.913 20 30 DHEDHN CCCCCCCC[C@H](CCC)N[C@H]1C=CS(=O)(=O)C1 ZINC001173309234 1033662947 /nfs/dbraw/zinc/66/29/47/1033662947.db2.gz GKYJUSHNPRLRIA-HOTGVXAUSA-N 0 3 301.496 3.806 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000341950893 1015856979 /nfs/dbraw/zinc/85/69/79/1015856979.db2.gz YVVLGKVVNFVRAZ-ZIFCJYIRSA-N 0 3 314.473 3.788 20 30 DHEDHN N#Cc1cc(CN2CCC[C@]3(CCCc4ccccc43)C2)ccn1 ZINC000610994813 1016004637 /nfs/dbraw/zinc/00/46/37/1016004637.db2.gz RRSANVZSTXZQAT-OAQYLSRUSA-N 0 3 317.436 3.823 20 30 DHEDHN COC1CCC(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000892200717 1016418486 /nfs/dbraw/zinc/41/84/86/1016418486.db2.gz HJCYQRLMJDTDRO-DXBWTPJFSA-N 0 3 312.457 3.963 20 30 DHEDHN COC1CCC(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000892200721 1016419621 /nfs/dbraw/zinc/41/96/21/1016419621.db2.gz HJCYQRLMJDTDRO-PEVDHWGLSA-N 0 3 312.457 3.963 20 30 DHEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCCC1 ZINC000075593872 1016489596 /nfs/dbraw/zinc/48/95/96/1016489596.db2.gz JZDJDOVRAKFNSW-UHFFFAOYSA-N 0 3 310.401 3.763 20 30 DHEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)Cc1ccsc1 ZINC000582268657 1016545654 /nfs/dbraw/zinc/54/56/54/1016545654.db2.gz YDJSZZWWDMIEPR-CQSZACIVSA-N 0 3 305.443 3.843 20 30 DHEDHN C=CCCCN(CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000172173495 1016649663 /nfs/dbraw/zinc/64/96/63/1016649663.db2.gz ITMQUCRAZXNWEP-UHFFFAOYSA-N 0 3 314.351 3.721 20 30 DHEDHN C[C@@H](CSCCF)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000595024653 1039982619 /nfs/dbraw/zinc/98/26/19/1039982619.db2.gz BNVONWQSHMOPAN-LBPRGKRZSA-N 0 3 319.367 3.738 20 30 DHEDHN CCS[C@@H]1CCCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000347247917 1016810846 /nfs/dbraw/zinc/81/08/46/1016810846.db2.gz ZRMQEQYEBUREQI-MRXNPFEDSA-N 0 3 304.459 3.674 20 30 DHEDHN CCS[C@H]1CCCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000347247916 1016812268 /nfs/dbraw/zinc/81/22/68/1016812268.db2.gz ZRMQEQYEBUREQI-INIZCTEOSA-N 0 3 304.459 3.674 20 30 DHEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H](c3ccccc3)C2)nn1 ZINC000657446819 1016853005 /nfs/dbraw/zinc/85/30/05/1016853005.db2.gz MBISJGVBFGDHHK-ZWKOTPCHSA-N 0 3 310.445 3.670 20 30 DHEDHN N#CCc1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000342702868 1017043077 /nfs/dbraw/zinc/04/30/77/1017043077.db2.gz ZVHNFJWKRJHSQT-OAQYLSRUSA-N 0 3 320.436 3.934 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000523009200 1017061142 /nfs/dbraw/zinc/06/11/42/1017061142.db2.gz RBAAACUMOAVMHW-SFHVURJKSA-N 0 3 306.425 3.537 20 30 DHEDHN CN(CCCCC1(C#N)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000929164789 1032154949 /nfs/dbraw/zinc/15/49/49/1032154949.db2.gz MKNODSFIFIAVIB-UHFFFAOYSA-N 0 3 301.390 3.891 20 30 DHEDHN C=CCN1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000301151248 1017242104 /nfs/dbraw/zinc/24/21/04/1017242104.db2.gz ALUAQNNSGYMNAD-UHFFFAOYSA-N 0 3 319.758 3.816 20 30 DHEDHN Cc1ccccc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362134735 1032246406 /nfs/dbraw/zinc/24/64/06/1032246406.db2.gz CUZHTFDVUUBVHE-CYBMUJFWSA-N 0 3 304.271 3.899 20 30 DHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccccc1-n1cccn1 ZINC000151828197 1017252028 /nfs/dbraw/zinc/25/20/28/1017252028.db2.gz FBIZFQSIQFZJLN-ZDUSSCGKSA-N 0 3 308.410 3.656 20 30 DHEDHN COc1ccc(Cl)c2c1C[C@H](N1CCC[C@H](CC#N)C1)CC2 ZINC001171322019 1032364915 /nfs/dbraw/zinc/36/49/15/1032364915.db2.gz QSJUCSRJIQUUKN-ZIAGYGMSSA-N 0 3 318.848 3.832 20 30 DHEDHN COc1ccc(C#N)cc1CN(C)CCCOCc1ccccc1 ZINC000384286709 1017268430 /nfs/dbraw/zinc/26/84/30/1017268430.db2.gz OXIYSMSPHXZZFD-UHFFFAOYSA-N 0 3 324.424 3.606 20 30 DHEDHN C[C@H]1SCCN(Cc2cccc(OCCCC#N)c2)[C@H]1C ZINC000093500318 1032543341 /nfs/dbraw/zinc/54/33/41/1032543341.db2.gz DEVUFLPVRYKPGN-LSDHHAIUSA-N 0 3 304.459 3.695 20 30 DHEDHN CCCCN(C(=O)[C@H](N)CCCC#N)[C@H](CC)c1ccccc1 ZINC000424145296 1011919096 /nfs/dbraw/zinc/91/90/96/1011919096.db2.gz UUBIMSOXTGSWAQ-QZTJIDSGSA-N 0 3 315.461 3.788 20 30 DHEDHN COCCOc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425365580 1012491570 /nfs/dbraw/zinc/49/15/70/1012491570.db2.gz LXWQDEWRBJOKCT-MRXNPFEDSA-N 0 3 324.424 3.776 20 30 DHEDHN C=C[C@H](CC(=O)NCc1ccccc1CN(C)C)c1ccccc1 ZINC000124032513 1032670129 /nfs/dbraw/zinc/67/01/29/1032670129.db2.gz VMFKUOWHQXVREH-QGZVFWFLSA-N 0 3 322.452 3.724 20 30 DHEDHN C=CCC1(NCc2ccsc2Br)CCOCC1 ZINC000623564794 1017113978 /nfs/dbraw/zinc/11/39/78/1017113978.db2.gz RBEUSOYNXRCOIG-UHFFFAOYSA-N 0 3 316.264 3.726 20 30 DHEDHN C=CC(C)(C)CCNCc1c(F)cncc1Br ZINC000623592896 1017127758 /nfs/dbraw/zinc/12/77/58/1017127758.db2.gz HRULCBOPJQBQHY-UHFFFAOYSA-N 0 3 301.203 3.675 20 30 DHEDHN N#CC(C(=O)CCCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000048813211 1017132578 /nfs/dbraw/zinc/13/25/78/1017132578.db2.gz ATJLFGPEJCMNKY-HNNXBMFYSA-N 0 3 303.365 3.762 20 30 DHEDHN C=CCC[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000180044090 1017359042 /nfs/dbraw/zinc/35/90/42/1017359042.db2.gz BPYVECYJJJFPOI-IBGZPJMESA-N 0 3 319.408 3.794 20 30 DHEDHN C=CCC[C@H](NCC(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000180045927 1017360717 /nfs/dbraw/zinc/36/07/17/1017360717.db2.gz CCNHMHVIDYEKJA-IBGZPJMESA-N 0 3 324.424 3.931 20 30 DHEDHN N#Cc1cccc(OCCN2CCC(c3ccccc3F)CC2)c1 ZINC000609895508 1017372525 /nfs/dbraw/zinc/37/25/25/1017372525.db2.gz ZUFCYEPQZAAKLV-UHFFFAOYSA-N 0 3 324.399 3.956 20 30 DHEDHN CSc1ccc([C@H](C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000342845355 1017565247 /nfs/dbraw/zinc/56/52/47/1017565247.db2.gz ISWQFIJWPYPSEA-ZDUSSCGKSA-N 0 3 322.437 3.779 20 30 DHEDHN CN(CCCCC(C)(C)C#N)Cc1ccc([S@](C)=O)cc1 ZINC000444635315 1017594374 /nfs/dbraw/zinc/59/43/74/1017594374.db2.gz AJRFSOQVUFHXEE-NRFANRHFSA-N 0 3 306.475 3.576 20 30 DHEDHN C#CCCCCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000773325299 1032711722 /nfs/dbraw/zinc/71/17/22/1032711722.db2.gz KNNDDNBWGQLXDU-IBGZPJMESA-N 0 3 312.457 3.523 20 30 DHEDHN C=CCCCCCN(C)CC(=O)N(C)Cc1ccccc1C ZINC000523555644 1017727983 /nfs/dbraw/zinc/72/79/83/1017727983.db2.gz RZEFLEXZAZYZHA-UHFFFAOYSA-N 0 3 302.462 3.632 20 30 DHEDHN C=CCC[C@H](NC[C@H]1c2ccccc2C(=O)N1C)c1ccco1 ZINC000624186141 1017752635 /nfs/dbraw/zinc/75/26/35/1017752635.db2.gz AWBWOHCUYRZUNO-IRXDYDNUSA-N 0 3 310.397 3.703 20 30 DHEDHN N#Cc1cccc(CN(CCCO)Cc2cccc(Cl)c2)c1 ZINC000134288133 1017789232 /nfs/dbraw/zinc/78/92/32/1017789232.db2.gz RDTMIHDAZRYHDO-UHFFFAOYSA-N 0 3 314.816 3.596 20 30 DHEDHN C=CC1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000114274630 1017901051 /nfs/dbraw/zinc/90/10/51/1017901051.db2.gz QQQYDOMXIFRHID-UHFFFAOYSA-N 0 3 312.413 3.533 20 30 DHEDHN C=C1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 ZINC000524676874 1018062236 /nfs/dbraw/zinc/06/22/36/1018062236.db2.gz RANLNASZXQCPMH-GOSISDBHSA-N 0 3 317.473 3.684 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@H](Oc3ccc(C)cn3)C2)cc1 ZINC000858012283 1032741815 /nfs/dbraw/zinc/74/18/15/1032741815.db2.gz YPJHBFKPZPNYLD-IBGZPJMESA-N 0 3 324.424 3.608 20 30 DHEDHN N#Cc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)s1 ZINC000123915480 1018136607 /nfs/dbraw/zinc/13/66/07/1018136607.db2.gz TYLQVVDTZXFZAM-UHFFFAOYSA-N 0 3 322.437 3.876 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000525121853 1018174078 /nfs/dbraw/zinc/17/40/78/1018174078.db2.gz HOMHNKYYQSUJBG-IEBWSBKVSA-N 0 3 314.473 3.537 20 30 DHEDHN C#CCN(Cc1cc(OC)c(OC)cc1-c1ccccc1)C1CC1 ZINC000764682986 1018347711 /nfs/dbraw/zinc/34/77/11/1018347711.db2.gz NFNLWCHGBVZKHN-UHFFFAOYSA-N 0 3 321.420 3.968 20 30 DHEDHN COC(=O)c1cc(C#N)ccc1Nc1ccnc(C(C)(C)C)c1 ZINC001213168743 1018409505 /nfs/dbraw/zinc/40/95/05/1018409505.db2.gz RGXNXUOIIBGHHE-UHFFFAOYSA-N 0 3 309.369 3.781 20 30 DHEDHN N#Cc1ccc(CNCC2(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000174341632 1018420165 /nfs/dbraw/zinc/42/01/65/1018420165.db2.gz FPLFOFTVNPLEAK-UHFFFAOYSA-N 0 3 320.314 3.991 20 30 DHEDHN C=CCCCN[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000447797758 1018474508 /nfs/dbraw/zinc/47/45/08/1018474508.db2.gz NMABBEGDXWVVRK-LJQANCHMSA-N 0 3 324.424 3.931 20 30 DHEDHN CC[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(C#N)cc1 ZINC000278301152 1018535741 /nfs/dbraw/zinc/53/57/41/1018535741.db2.gz RXXOLGVVEZUCKC-LJQANCHMSA-N 0 3 321.424 3.501 20 30 DHEDHN CCCOc1ccc(CN[C@@H](CC)c2ccc(C#N)cc2)cn1 ZINC000278383228 1018638545 /nfs/dbraw/zinc/63/85/45/1018638545.db2.gz DGPUVWORJCCWKM-SFHVURJKSA-N 0 3 309.413 3.983 20 30 DHEDHN C=CCN1CCC(NC(=O)c2cc3cccc(C)c3s2)CC1 ZINC000685190716 1018650644 /nfs/dbraw/zinc/65/06/44/1018650644.db2.gz JMQGTLUDHDMTPP-UHFFFAOYSA-N 0 3 314.454 3.590 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OC)cc2C)c1 ZINC000921743354 1018736169 /nfs/dbraw/zinc/73/61/69/1018736169.db2.gz QCTXLUFEENMOKX-SFHVURJKSA-N 0 3 324.424 3.974 20 30 DHEDHN C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)c2c1c(F)ccc2[O-] ZINC000842886775 1018820355 /nfs/dbraw/zinc/82/03/55/1018820355.db2.gz XUXTXLRVQZBUAT-WBMJQRKESA-N 0 3 310.372 3.935 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(Br)cc2F)C1 ZINC000765927559 1018834580 /nfs/dbraw/zinc/83/45/80/1018834580.db2.gz VGDRXFPWIMEIOX-MFKMUULPSA-N 0 3 311.198 3.760 20 30 DHEDHN N#CCCCCN[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000338727853 1018868440 /nfs/dbraw/zinc/86/84/40/1018868440.db2.gz DPWAXBWSTQLABH-SFHVURJKSA-N 0 3 307.397 3.650 20 30 DHEDHN N#Cc1ccc(Br)c(CNCCCC(F)(F)F)c1 ZINC000921803539 1018878229 /nfs/dbraw/zinc/87/82/29/1018878229.db2.gz VSGIRAGJYUXSML-UHFFFAOYSA-N 0 3 321.140 3.753 20 30 DHEDHN CC[C@H](N[C@H](CCO)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000278639359 1018973359 /nfs/dbraw/zinc/97/33/59/1018973359.db2.gz HKWTVSHXLNFOQK-VQTJNVASSA-N 0 3 324.424 3.731 20 30 DHEDHN CCc1nn(C)c(CC)c1CN[C@H](CC)c1ccc(C#N)cc1 ZINC000278696470 1019054180 /nfs/dbraw/zinc/05/41/80/1019054180.db2.gz KULNPSPILFGMHP-QGZVFWFLSA-N 0 3 310.445 3.657 20 30 DHEDHN COc1cc(CN[C@@H](C)c2cc3c(s2)CCC3)ccc1C#N ZINC000573170603 1019059660 /nfs/dbraw/zinc/05/96/60/1019059660.db2.gz CMDPURAGLMIFMK-LBPRGKRZSA-N 0 3 312.438 3.968 20 30 DHEDHN CCNC(=O)c1cccc(CN[C@H](CC)c2ccc(C#N)cc2)c1 ZINC000278741285 1019154445 /nfs/dbraw/zinc/15/44/45/1019154445.db2.gz NHXOCHXLMPPTCF-LJQANCHMSA-N 0 3 321.424 3.549 20 30 DHEDHN C=CCOc1cccc(CNCc2ccc(N(C)C(C)=O)cc2)c1 ZINC000858248630 1032815696 /nfs/dbraw/zinc/81/56/96/1032815696.db2.gz DIKUMHUIRLYTSV-UHFFFAOYSA-N 0 3 324.424 3.524 20 30 DHEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000672464223 1019236788 /nfs/dbraw/zinc/23/67/88/1019236788.db2.gz ZYKNOSVNXILFMJ-CJNGLKHVSA-N 0 3 323.868 3.597 20 30 DHEDHN CC[C@@H](C(=O)C(C#N)c1nc(C(C)C)cs1)N(CC)CC ZINC000765964820 1019273503 /nfs/dbraw/zinc/27/35/03/1019273503.db2.gz OVNYWXJGYGRXHK-OCCSQVGLSA-N 0 3 307.463 3.563 20 30 DHEDHN C=C(Br)CNCCCc1c(F)cccc1Cl ZINC000309592026 1019301091 /nfs/dbraw/zinc/30/10/91/1019301091.db2.gz SLHWDIZGGQKVAY-UHFFFAOYSA-N 0 3 306.606 3.910 20 30 DHEDHN Cc1ccc(CC[C@@H](C)NC(=N)c2ccc(Cl)cn2)cc1 ZINC001171661154 1032817637 /nfs/dbraw/zinc/81/76/37/1032817637.db2.gz YUYMSYATJGXKPC-CYBMUJFWSA-N 0 3 301.821 3.770 20 30 DHEDHN N#CC(C(=O)Nc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000338623718 1019356255 /nfs/dbraw/zinc/35/62/55/1019356255.db2.gz CBXUGSMLVVMGEO-GFCCVEGCSA-N 0 3 311.341 3.681 20 30 DHEDHN N#CC(C(=O)Nc1cccc(F)c1)c1nc2ccccc2s1 ZINC000338624635 1019366127 /nfs/dbraw/zinc/36/61/27/1019366127.db2.gz GUHTYEVYKMYMPI-LBPRGKRZSA-N 0 3 311.341 3.681 20 30 DHEDHN Cc1nc(CNC2CCC(C#N)(c3ccccc3)CC2)cs1 ZINC000611255112 1019424996 /nfs/dbraw/zinc/42/49/96/1019424996.db2.gz HDFQKLFJJPDVKR-UHFFFAOYSA-N 0 3 311.454 3.945 20 30 DHEDHN CC(C)(CCC#N)CN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000611276665 1019431089 /nfs/dbraw/zinc/43/10/89/1019431089.db2.gz RGOHBLBEJZXCEU-UWVGGRQHSA-N 0 3 316.289 3.989 20 30 DHEDHN CC(C)Oc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000611390968 1019466184 /nfs/dbraw/zinc/46/61/84/1019466184.db2.gz XRDAIVZGPPFJGU-LJQANCHMSA-N 0 3 321.424 3.908 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC001128353482 1019476797 /nfs/dbraw/zinc/47/67/97/1019476797.db2.gz VBOLSZJJTIPNAD-UYAOXDASSA-N 0 3 316.489 3.862 20 30 DHEDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCOc1ccc(C#N)cc1 ZINC000611554889 1019517446 /nfs/dbraw/zinc/51/74/46/1019517446.db2.gz ALOCJSKWYGHUEY-GXTWGEPZSA-N 0 3 312.335 3.600 20 30 DHEDHN N=C(N[C@H]1Cc2cccc(Cl)c2C1)c1ccc2ccccc2n1 ZINC001168703158 1019573057 /nfs/dbraw/zinc/57/30/57/1019573057.db2.gz APBNTIVBVLLRRZ-AWEZNQCLSA-N 0 3 321.811 3.761 20 30 DHEDHN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000347548069 1019624088 /nfs/dbraw/zinc/62/40/88/1019624088.db2.gz BYRJDFYNWDHXEV-ZDUSSCGKSA-N 0 3 310.401 3.667 20 30 DHEDHN CN1CCCC[C@@H]1c1ccc(NCCc2ccc(C#N)cc2)nc1 ZINC001167678596 1019951747 /nfs/dbraw/zinc/95/17/47/1019951747.db2.gz QAGRXNNYMIOTMH-LJQANCHMSA-N 0 3 320.440 3.765 20 30 DHEDHN N#CCOc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000731212094 1020079634 /nfs/dbraw/zinc/07/96/34/1020079634.db2.gz RVIOOTDRDXFONZ-LJQANCHMSA-N 0 3 308.381 3.632 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000124115305 1020141438 /nfs/dbraw/zinc/14/14/38/1020141438.db2.gz KNYPBHGJLXXDBR-KBPBESRZSA-N 0 3 307.397 3.928 20 30 DHEDHN C=CCOCCCN[C@@H](C)c1ccc(F)cc1Br ZINC000658209988 1020226963 /nfs/dbraw/zinc/22/69/63/1020226963.db2.gz MJBNBKVZSSYHMQ-NSHDSACASA-N 0 3 316.214 3.832 20 30 DHEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(OC)cc1 ZINC000124967008 1020247622 /nfs/dbraw/zinc/24/76/22/1020247622.db2.gz VTUDJTCFQQLTGI-GOSISDBHSA-N 0 3 310.397 3.816 20 30 DHEDHN N#Cc1ccc(-c2nnc(CN(C3CC3)C3CCCCC3)o2)cc1 ZINC000075637384 1020317356 /nfs/dbraw/zinc/31/73/56/1020317356.db2.gz ZBNGOOVTDWIOBX-UHFFFAOYSA-N 0 3 322.412 3.905 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccc(OCC)cc2)cc1 ZINC000733325881 1020372163 /nfs/dbraw/zinc/37/21/63/1020372163.db2.gz VSKROUJNYZARBN-UHFFFAOYSA-N 0 3 309.409 3.777 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000054809932 1020403138 /nfs/dbraw/zinc/40/31/38/1020403138.db2.gz CQPRETSWPBTKQX-KRWDZBQOSA-N 0 3 308.381 3.570 20 30 DHEDHN CC[C@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171838368 1032903570 /nfs/dbraw/zinc/90/35/70/1032903570.db2.gz WRTICHOYEVLGFL-CABCVRRESA-N 0 3 321.465 3.590 20 30 DHEDHN C=CCN(CC=C)[C@H](CN[C@@H]1CCCc2oc(C)nc21)C(C)C ZINC000924641846 1032903790 /nfs/dbraw/zinc/90/37/90/1032903790.db2.gz DAQZNUCJOGOBCD-IAGOWNOFSA-N 0 3 317.477 3.649 20 30 DHEDHN C=CCOCCCN1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000348057884 1020498476 /nfs/dbraw/zinc/49/84/76/1020498476.db2.gz UPYVKDYOUIXWKB-GOSISDBHSA-N 0 3 313.445 3.786 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C)co2)cc1 ZINC000892490242 1020524928 /nfs/dbraw/zinc/52/49/28/1020524928.db2.gz RAQBKSUCAYAQAP-MRXNPFEDSA-N 0 3 324.380 3.892 20 30 DHEDHN CC1(C)[C@H](NCc2ccc(F)c(C#N)c2Cl)[C@@H]2CCCO[C@H]21 ZINC000365244465 1020584630 /nfs/dbraw/zinc/58/46/30/1020584630.db2.gz JNKOVYVOBSZTLM-IUIKQTSFSA-N 0 3 322.811 3.644 20 30 DHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000303593534 1020585355 /nfs/dbraw/zinc/58/53/55/1020585355.db2.gz SSXVMPMNNGYZTE-OXQOHEQNSA-N 0 3 323.440 3.708 20 30 DHEDHN Cc1ccc(CN(C)C)cc1NC(=O)/C=C/c1ccccc1C#N ZINC000177320669 1020590756 /nfs/dbraw/zinc/59/07/56/1020590756.db2.gz PZGBLONMZQCCIH-ZHACJKMWSA-N 0 3 319.408 3.580 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCCc3nc(C)ncc32)cc1 ZINC000766046240 1020610779 /nfs/dbraw/zinc/61/07/79/1020610779.db2.gz WVHZYGPTQAJMPN-IFXJQAMLSA-N 0 3 321.424 3.525 20 30 DHEDHN N#Cc1ccc(CCN[C@H]2COCc3cccc(Cl)c32)cc1 ZINC000926680421 1020619542 /nfs/dbraw/zinc/61/95/42/1020619542.db2.gz NNZGZUUYFHFEIR-KRWDZBQOSA-N 0 3 312.800 3.615 20 30 DHEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)cc1Cl ZINC000163875240 1020622939 /nfs/dbraw/zinc/62/29/39/1020622939.db2.gz KYTOGHVZNKXBRF-CJNGLKHVSA-N 0 3 306.837 3.727 20 30 DHEDHN C=CCN(Cc1cc(Br)ccc1C)[C@@H](C)COC ZINC001171917564 1032920457 /nfs/dbraw/zinc/92/04/57/1032920457.db2.gz ZUHBDBDKZUOTDN-ZDUSSCGKSA-N 0 3 312.251 3.780 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSC(C)(C)C)nc21 ZINC000735791195 1020767336 /nfs/dbraw/zinc/76/73/36/1020767336.db2.gz WAAZJLGCEMYRSK-NSHDSACASA-N 0 3 301.415 3.579 20 30 DHEDHN Cc1cccc2nc(C(C#N)C(=O)CSC(C)(C)C)[nH]c21 ZINC000735791195 1020767347 /nfs/dbraw/zinc/76/73/47/1020767347.db2.gz WAAZJLGCEMYRSK-NSHDSACASA-N 0 3 301.415 3.579 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3ccccc3F)nc21 ZINC000735792585 1020768224 /nfs/dbraw/zinc/76/82/24/1020768224.db2.gz MRIGSTKTSPRBPZ-GXTWGEPZSA-N 0 3 321.355 3.990 20 30 DHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H](C)c3ccccc3F)[nH]c21 ZINC000735792585 1020768234 /nfs/dbraw/zinc/76/82/34/1020768234.db2.gz MRIGSTKTSPRBPZ-GXTWGEPZSA-N 0 3 321.355 3.990 20 30 DHEDHN C=CC[C@@H](CO)CN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414090916 1020876961 /nfs/dbraw/zinc/87/69/61/1020876961.db2.gz CZGYWXSKAZCPLB-UONOGXRCSA-N 0 3 302.443 3.645 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3ccsc3)nc21 ZINC000739189828 1020900903 /nfs/dbraw/zinc/90/09/03/1020900903.db2.gz GZWMAOFNSLKRDG-DGCLKSJQSA-N 0 3 309.394 3.913 20 30 DHEDHN C=C[C@H](COC)N[C@H](C)c1cc(C)c(Br)s1 ZINC000309414872 1020990869 /nfs/dbraw/zinc/99/08/69/1020990869.db2.gz CJMUOPBZJFVDQB-NXEZZACHSA-N 0 3 304.253 3.671 20 30 DHEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000249327229 1021080805 /nfs/dbraw/zinc/08/08/05/1021080805.db2.gz NYXCPVJBANPHQQ-GJZGRUSLSA-N 0 3 306.475 3.698 20 30 DHEDHN COCCN(Cc1cccc(C#N)c1)Cc1ccc(C)c(C)c1 ZINC000917149221 1021203245 /nfs/dbraw/zinc/20/32/45/1021203245.db2.gz CVVWSTMARWQEKI-UHFFFAOYSA-N 0 3 308.425 3.824 20 30 DHEDHN C[C@H](CCC#N)CNCc1cc(-c2ccc(F)cc2F)on1 ZINC000877811494 1033460769 /nfs/dbraw/zinc/46/07/69/1033460769.db2.gz LVBUGYMQCSJDIG-LLVKDONJSA-N 0 3 305.328 3.649 20 30 DHEDHN N#Cc1ccc(O[C@@H]2CCCN(CCCC(F)(F)F)C2)cc1 ZINC001202444478 1021257161 /nfs/dbraw/zinc/25/71/61/1021257161.db2.gz HDIMWRDGLZHERT-OAHLLOKOSA-N 0 3 312.335 3.744 20 30 DHEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000744028476 1021405487 /nfs/dbraw/zinc/40/54/87/1021405487.db2.gz IBGHTMDHMMLCGX-BBRMVZONSA-N 0 3 314.429 3.895 20 30 DHEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)c1ccco1 ZINC000744064459 1021427776 /nfs/dbraw/zinc/42/77/76/1021427776.db2.gz WUYQZRLVXGIKMZ-AAEUAGOBSA-N 0 3 323.377 3.778 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1cccc(C#N)c1 ZINC000182076517 1021469493 /nfs/dbraw/zinc/46/94/93/1021469493.db2.gz XCJGNPSZPGWVBT-LSDHHAIUSA-N 0 3 317.396 3.551 20 30 DHEDHN C=CCOc1ccccc1CNC[C@@H](O)c1cccc(Cl)c1 ZINC000918197089 1021474712 /nfs/dbraw/zinc/47/47/12/1021474712.db2.gz HGCDBBNYSBYGHQ-QGZVFWFLSA-N 0 3 317.816 3.728 20 30 DHEDHN Fc1cc(CNCCOCC(F)(F)F)cc(C(F)(F)F)c1 ZINC000129429987 1021485829 /nfs/dbraw/zinc/48/58/29/1021485829.db2.gz VWLMXWRHPWZOGZ-UHFFFAOYSA-N 0 3 319.220 3.513 20 30 DHEDHN CCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618742311 1021502164 /nfs/dbraw/zinc/50/21/64/1021502164.db2.gz MJUWHQCDAUSXDH-GOSISDBHSA-N 0 3 310.372 3.873 20 30 DHEDHN CC(C)N(C)c1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618741288 1021502121 /nfs/dbraw/zinc/50/21/21/1021502121.db2.gz DFEZJYJWICGNDW-LJQANCHMSA-N 0 3 320.440 3.575 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCC1=Cc2ccccc2OC1 ZINC000618741168 1021502557 /nfs/dbraw/zinc/50/25/57/1021502557.db2.gz AXQGFDHVAIYKPM-IBGZPJMESA-N 0 3 302.377 3.611 20 30 DHEDHN C=CCOc1cccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742731 1021503801 /nfs/dbraw/zinc/50/38/01/1021503801.db2.gz QRUMVMWHGMKFFK-HXUWFJFHSA-N 0 3 304.393 3.900 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCc1cccs1 ZINC000122278072 1021536919 /nfs/dbraw/zinc/53/69/19/1021536919.db2.gz AHGLLZHKZBSWGA-AWEZNQCLSA-N 0 3 323.421 3.834 20 30 DHEDHN C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCC1(C#N)CCCCC1 ZINC000850552439 1021600862 /nfs/dbraw/zinc/60/08/62/1021600862.db2.gz ZHCNFXNBZGZZTA-GJZGRUSLSA-N 0 3 323.481 3.742 20 30 DHEDHN N#CC(C(=O)[C@H]1CCC[C@H]1Cc1ccccc1)c1ccccn1 ZINC000850756064 1021642237 /nfs/dbraw/zinc/64/22/37/1021642237.db2.gz MBFMVHFCXSHWGW-BZSNNMDCSA-N 0 3 304.393 3.917 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850759641 1021642558 /nfs/dbraw/zinc/64/25/58/1021642558.db2.gz LQUZTTZRZRKKBK-INIZCTEOSA-N 0 3 324.424 3.649 20 30 DHEDHN C[C@@H]([C@H](OC(=O)c1ccc(C#N)o1)c1ccccc1)N1CCCC1 ZINC000851134580 1021750132 /nfs/dbraw/zinc/75/01/32/1021750132.db2.gz WGPZQFDPBOPYDU-KSSFIOAISA-N 0 3 324.380 3.534 20 30 DHEDHN C=CC[C@H](NCc1ccc(C(=O)OC)c(C)c1)c1ccncc1 ZINC000892973361 1021754090 /nfs/dbraw/zinc/75/40/90/1021754090.db2.gz PTZAOHXMXIVHJO-SFHVURJKSA-N 0 3 310.397 3.584 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000728711730 1021869743 /nfs/dbraw/zinc/86/97/43/1021869743.db2.gz HTTQSNMVWGFZRA-GFCCVEGCSA-N 0 3 302.324 3.545 20 30 DHEDHN N#Cc1ccc(CCN2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000851891503 1022029488 /nfs/dbraw/zinc/02/94/88/1022029488.db2.gz TYOSGCBZUQTOMH-UHFFFAOYSA-N 0 3 323.827 3.938 20 30 DHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cnn(C2CCCC2)c1 ZINC000337491658 1033026379 /nfs/dbraw/zinc/02/63/79/1033026379.db2.gz WPBVDKNYYHFZKF-OAHLLOKOSA-N 0 3 324.428 3.599 20 30 DHEDHN CC[C@H](C)N(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852291232 1022099534 /nfs/dbraw/zinc/09/95/34/1022099534.db2.gz RUELMCACWWPIGK-STQMWFEESA-N 0 3 315.442 3.593 20 30 DHEDHN Cc1ccc([C@H](C)Nc2ccc(/N=C/N(C)C)c(C#N)c2)nc1 ZINC001168859127 1022153886 /nfs/dbraw/zinc/15/38/86/1022153886.db2.gz VMWSRXCYRXDMFC-OMBDHMDGSA-N 0 3 307.401 3.656 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(OC)cc2)c([O-])c1 ZINC000920942990 1022192110 /nfs/dbraw/zinc/19/21/10/1022192110.db2.gz WQWNLDIWPRPSCU-ZHZULCJRSA-N 0 3 312.413 3.866 20 30 DHEDHN N#CCCOCCN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000339153168 1022235408 /nfs/dbraw/zinc/23/54/08/1022235408.db2.gz DMYYTRBGBGTQHZ-UHFFFAOYSA-N 0 3 310.800 3.531 20 30 DHEDHN Cc1ccc2c(C)cc(N=NCc3cnc4n3CCC4)nc2c1C ZINC000853281267 1022249491 /nfs/dbraw/zinc/24/94/91/1022249491.db2.gz XOCCGYKRXQUDGN-UHFFFAOYSA-N 0 3 319.412 3.749 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccncc3)C2)c(Cl)c1 ZINC000615231236 1022252965 /nfs/dbraw/zinc/25/29/65/1022252965.db2.gz IIBLALQCKFDGPX-MRXNPFEDSA-N 0 3 311.816 3.671 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](C)CC ZINC000154475672 1022300814 /nfs/dbraw/zinc/30/08/14/1022300814.db2.gz HISUTOWHRWMTOS-HNNXBMFYSA-N 0 3 322.522 3.631 20 30 DHEDHN C[C@@H](CCC#N)N1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC000854061743 1022400471 /nfs/dbraw/zinc/40/04/71/1022400471.db2.gz MEGXTVFGVSZONX-INIZCTEOSA-N 0 3 322.456 3.949 20 30 DHEDHN CCN(CC)C(=O)C[C@H](C)N(CCC#N)C1CCCCCCC1 ZINC001169473523 1022423325 /nfs/dbraw/zinc/42/33/25/1022423325.db2.gz FNNKWLFGECZRCJ-KRWDZBQOSA-N 0 3 321.509 3.962 20 30 DHEDHN N#Cc1ccc(CCN2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000660095693 1022477829 /nfs/dbraw/zinc/47/78/29/1022477829.db2.gz RPZGJHIKMFSDSH-KRWDZBQOSA-N 0 3 324.449 3.900 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCc1ccccc1 ZINC000122985300 1022574391 /nfs/dbraw/zinc/57/43/91/1022574391.db2.gz NCKXUEJPGQJAKK-MRXNPFEDSA-N 0 3 317.392 3.772 20 30 DHEDHN N#Cc1ccc(Br)c(CNC2(C3CCC3)CC2)c1 ZINC000593081317 1033067852 /nfs/dbraw/zinc/06/78/52/1033067852.db2.gz MLVYJSINHWWJDV-UHFFFAOYSA-N 0 3 305.219 3.743 20 30 DHEDHN Cn1ncc2c1CCC[C@H]2N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000584695200 1022625016 /nfs/dbraw/zinc/62/50/16/1022625016.db2.gz YKFUMOXQFZVVJW-RTBURBONSA-N 0 3 320.440 3.726 20 30 DHEDHN C#CCOc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000113331828 1022635789 /nfs/dbraw/zinc/63/57/89/1022635789.db2.gz UUMRYZNVICUGNI-LJQANCHMSA-N 0 3 307.393 3.702 20 30 DHEDHN C[C@H]1CC2(CN1Cc1cc(Cl)cc(C#N)c1)CCOCC2 ZINC000930823908 1022713542 /nfs/dbraw/zinc/71/35/42/1022713542.db2.gz YJZBDTIERXMBJQ-ZDUSSCGKSA-N 0 3 304.821 3.603 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000113961349 1022765572 /nfs/dbraw/zinc/76/55/72/1022765572.db2.gz QHQSBJMXUCOOAO-SFHVURJKSA-N 0 3 305.381 3.529 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)N(C)Cc1nc2ccccc2o1 ZINC001172311152 1033078959 /nfs/dbraw/zinc/07/89/59/1033078959.db2.gz QAZPDXHGNFYLKW-CQSZACIVSA-N 0 3 305.381 3.762 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)N(C)Cc1cccc(F)c1F ZINC001172312880 1033082230 /nfs/dbraw/zinc/08/22/30/1033082230.db2.gz LLDIBTHQKSYMCO-CYBMUJFWSA-N 0 3 300.352 3.899 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(Br)s1 ZINC000695790052 1022869512 /nfs/dbraw/zinc/86/95/12/1022869512.db2.gz GFGSXZNOSKWLKY-VIFPVBQESA-N 0 3 301.253 3.929 20 30 DHEDHN C=C(C)CN(CC)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000768139754 1022904430 /nfs/dbraw/zinc/90/44/30/1022904430.db2.gz IBLPAKPVMIISCM-UHFFFAOYSA-N 0 3 305.422 3.827 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cncc(C)c2)c1 ZINC000768233358 1022931333 /nfs/dbraw/zinc/93/13/33/1022931333.db2.gz WSWXGSYEAYNZLW-QAPCUYQASA-N 0 3 309.413 3.922 20 30 DHEDHN C[C@@H]1CCCN(C(C)(C)CNc2snc(Cl)c2C#N)C1 ZINC000092642354 1022933937 /nfs/dbraw/zinc/93/39/37/1022933937.db2.gz HITXPJYVFHRERS-SNVBAGLBSA-N 0 3 312.870 3.591 20 30 DHEDHN C#CC[C@H](N[C@H]1CCN(C(C)=O)c2ccccc21)c1ccccc1 ZINC000857075900 1022944943 /nfs/dbraw/zinc/94/49/43/1022944943.db2.gz KREASRSMRMVETE-PMACEKPBSA-N 0 3 318.420 3.839 20 30 DHEDHN Cc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1C#N ZINC000859164205 1033089585 /nfs/dbraw/zinc/08/95/85/1033089585.db2.gz WJINFHPKGPWMNM-QZTJIDSGSA-N 0 3 310.397 3.548 20 30 DHEDHN C=C[C@](C)(O)CN1CCC[C@H]1c1ccc(Br)cc1 ZINC001252541497 1033102018 /nfs/dbraw/zinc/10/20/18/1033102018.db2.gz MOYAUXGVDYXVKB-GJZGRUSLSA-N 0 3 310.235 3.523 20 30 DHEDHN N#Cc1csc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000769238727 1023105897 /nfs/dbraw/zinc/10/58/97/1023105897.db2.gz HAAODWICBQQSNA-MSOLQXFVSA-N 0 3 312.438 3.708 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000876621571 1033108462 /nfs/dbraw/zinc/10/84/62/1033108462.db2.gz BWGGBJRYQXGXPQ-NSHDSACASA-N 0 3 323.849 3.828 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000876623413 1033109546 /nfs/dbraw/zinc/10/95/46/1033109546.db2.gz HFCFSPRVIQUVSR-NSHDSACASA-N 0 3 321.833 3.582 20 30 DHEDHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@@H](O)c1ccc(C#N)cc1 ZINC000769953050 1023245234 /nfs/dbraw/zinc/24/52/34/1023245234.db2.gz JJFVCKOJRZFFBZ-LAPQFRIASA-N 0 3 324.399 3.739 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000876688958 1033122823 /nfs/dbraw/zinc/12/28/23/1033122823.db2.gz QJEJHYFYPXQYEB-GFCCVEGCSA-N 0 3 320.742 3.590 20 30 DHEDHN Cc1ccncc1[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 ZINC000770750298 1023347066 /nfs/dbraw/zinc/34/70/66/1023347066.db2.gz MLWOTNOVWIHVHZ-MRXNPFEDSA-N 0 3 308.429 3.591 20 30 DHEDHN C=CC[C@@H]1CC[C@@H](N[C@H](CC)c2nnc3n2CCCCC3)C1 ZINC000651695012 1023470407 /nfs/dbraw/zinc/47/04/07/1023470407.db2.gz YONOXQCCELYXFY-BZUAXINKSA-N 0 3 302.466 3.790 20 30 DHEDHN C#CCN(Cc1ccc2c[nH]nc2c1)[C@@H]1CCc2ccccc21 ZINC000772600151 1023577263 /nfs/dbraw/zinc/57/72/63/1023577263.db2.gz UWHAJPAQIFPOIG-HXUWFJFHSA-N 0 3 301.393 3.686 20 30 DHEDHN C=CCCCCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000785692734 1023605941 /nfs/dbraw/zinc/60/59/41/1023605941.db2.gz IEKABQZEJIBYTB-UHFFFAOYSA-N 0 3 307.869 3.599 20 30 DHEDHN CCCCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533082 1023701782 /nfs/dbraw/zinc/70/17/82/1023701782.db2.gz DGHYUHPCJIUIPG-OAHLLOKOSA-N 0 3 320.820 3.635 20 30 DHEDHN C=CCN(CC(=O)N(C)[C@H](C)c1ccc(F)cc1)C(C)(C)C ZINC000661754716 1023729577 /nfs/dbraw/zinc/72/95/77/1023729577.db2.gz BTUNKZYMVOEBLG-CQSZACIVSA-N 0 3 306.425 3.632 20 30 DHEDHN C#Cc1ccc(CN(Cc2ccc(O)c(OC)c2)C2CC2)cc1 ZINC000787776891 1023821847 /nfs/dbraw/zinc/82/18/47/1023821847.db2.gz DCZCCANHKVORMY-UHFFFAOYSA-N 0 3 307.393 3.547 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000599094073 1023896728 /nfs/dbraw/zinc/89/67/28/1023896728.db2.gz ZDJVITCHWRAZPE-KMUNFCNLSA-N 0 3 313.228 3.699 20 30 DHEDHN N#Cc1ccc(CN2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091888955 1023923305 /nfs/dbraw/zinc/92/33/05/1023923305.db2.gz BKXOMGJTKNAJGK-UHFFFAOYSA-N 0 3 324.399 3.879 20 30 DHEDHN CN(C)[C@@H](C/N=C\c1ccccc1O)c1ccc(Cl)cc1 ZINC000746817211 1024079690 /nfs/dbraw/zinc/07/96/90/1024079690.db2.gz YGIAXPWSXLFGLY-YLRSXTQRSA-N 0 3 302.805 3.767 20 30 DHEDHN C=CCC[C@@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccco1 ZINC000789744645 1024163741 /nfs/dbraw/zinc/16/37/41/1024163741.db2.gz XRQZBVMBIIBONV-HZPDHXFCSA-N 0 3 305.418 3.952 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)ccc1NC(C)C ZINC000876959275 1033192813 /nfs/dbraw/zinc/19/28/13/1033192813.db2.gz ICBXGDVTOAWCNS-NSHDSACASA-N 0 3 316.232 3.569 20 30 DHEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@@H](CO)c1ccccc1 ZINC000269048439 1024230283 /nfs/dbraw/zinc/23/02/83/1024230283.db2.gz ZJENIKRERBJKQI-IBGZPJMESA-N 0 3 308.425 3.653 20 30 DHEDHN N#CCc1ccc(CNCc2ccc(Br)s2)cc1 ZINC000398950952 1024266452 /nfs/dbraw/zinc/26/64/52/1024266452.db2.gz DIDNJZXLKGDVEM-UHFFFAOYSA-N 0 3 321.243 3.866 20 30 DHEDHN C=CCC[C@H](Cc1ccccc1)NCc1nnc(CC)s1 ZINC000883223142 1024299200 /nfs/dbraw/zinc/29/92/00/1024299200.db2.gz JCGZPVFVGJJBBO-OAHLLOKOSA-N 0 3 301.459 3.768 20 30 DHEDHN C=CCCCNCc1c(C)nn(Cc2ccccc2)c1Cl ZINC000790483215 1024312579 /nfs/dbraw/zinc/31/25/79/1024312579.db2.gz DQMGBLZVVBDOQQ-UHFFFAOYSA-N 0 3 303.837 3.949 20 30 DHEDHN C=CCC[C@@H](NCc1noc2cc(F)ccc21)[C@H]1CCCO1 ZINC000883243269 1024314342 /nfs/dbraw/zinc/31/43/42/1024314342.db2.gz GSPLMEWKROOJJF-GDBMZVCRSA-N 0 3 304.365 3.570 20 30 DHEDHN C=CCCC[C@@H](NCc1cnc2cnccn12)c1ccccc1 ZINC000883325060 1024377697 /nfs/dbraw/zinc/37/76/97/1024377697.db2.gz NLQRVRACZMCRAQ-GOSISDBHSA-N 0 3 306.413 3.917 20 30 DHEDHN CCC[C@@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348802606 1024390537 /nfs/dbraw/zinc/39/05/37/1024390537.db2.gz AYKFTAIKHSTTOJ-MRXNPFEDSA-N 0 3 310.401 3.763 20 30 DHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000453226890 1024414495 /nfs/dbraw/zinc/41/44/95/1024414495.db2.gz PQCAGVPIQXYYFA-SGTLLEGYSA-N 0 3 307.353 3.805 20 30 DHEDHN CC[C@H](COCC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000453258040 1024428547 /nfs/dbraw/zinc/42/85/47/1024428547.db2.gz NUOGKWJSQNBBQW-CMPLNLGQSA-N 0 3 318.314 3.705 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Cl)cc1C(C)C ZINC000877027653 1033211112 /nfs/dbraw/zinc/21/11/12/1033211112.db2.gz PHFPSKHQGKOLBY-GFCCVEGCSA-N 0 3 301.217 3.872 20 30 DHEDHN C=C[C@H](COC)N[C@H](CC)c1cc(F)cc(Br)c1 ZINC001320427934 1024452540 /nfs/dbraw/zinc/45/25/40/1024452540.db2.gz NVDZLSWZYNWWCG-ZIAGYGMSSA-N 0 3 316.214 3.830 20 30 DHEDHN C[C@H](CC(=O)Nc1ccccc1)NC1(c2cccc(C#N)c2)CC1 ZINC000271293026 1024484717 /nfs/dbraw/zinc/48/47/17/1024484717.db2.gz NCGWLGSBJXHCCS-OAHLLOKOSA-N 0 3 319.408 3.554 20 30 DHEDHN CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(C#N)s1 ZINC000271476779 1024518265 /nfs/dbraw/zinc/51/82/65/1024518265.db2.gz LIJIEEBIDIMNQF-MEDUHNTESA-N 0 3 304.390 3.625 20 30 DHEDHN C#CC[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000271585254 1024545633 /nfs/dbraw/zinc/54/56/33/1024545633.db2.gz XLSXWAGPIVTAHI-CRAIPNDOSA-N 0 3 307.393 3.873 20 30 DHEDHN C[C@@H](CCCC#N)N[C@H](CO)c1ccc(Cl)cc1Cl ZINC001172489893 1033223625 /nfs/dbraw/zinc/22/36/25/1033223625.db2.gz SBGXJECHABARCK-IINYFYTJSA-N 0 3 301.217 3.699 20 30 DHEDHN COc1cccc(-c2nc(CN[C@@H](C)CCCC#N)cs2)c1 ZINC001172492167 1033222873 /nfs/dbraw/zinc/22/28/73/1033222873.db2.gz QRUKDDBJJKIBCW-ZDUSSCGKSA-N 0 3 315.442 3.991 20 30 DHEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)c1ccc(F)cc1F ZINC000877068260 1033228151 /nfs/dbraw/zinc/22/81/51/1033228151.db2.gz SRXODZIIQHBSOX-SNVBAGLBSA-N 0 3 321.758 3.778 20 30 DHEDHN CCC#C[C@@H](C)N1CCCN(c2cccc(Cl)c2C)CC1 ZINC001170243756 1024707027 /nfs/dbraw/zinc/70/70/27/1024707027.db2.gz IUJUGUUCPBBFSS-OAHLLOKOSA-N 0 3 304.865 3.962 20 30 DHEDHN CC[C@H]1C[C@H](N2CCC(C#N)(c3ccccc3F)CC2)CCO1 ZINC001170246369 1024709891 /nfs/dbraw/zinc/70/98/91/1024709891.db2.gz UECSCORPOMHWOD-CVEARBPZSA-N 0 3 316.420 3.640 20 30 DHEDHN CCS[C@H]1CCCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877079458 1033231194 /nfs/dbraw/zinc/23/11/94/1033231194.db2.gz ZCZBISSPNRSDMS-KGLIPLIRSA-N 0 3 309.866 3.761 20 30 DHEDHN CC(C)c1nn(-c2ccccc2)cc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349822710 1024758251 /nfs/dbraw/zinc/75/82/51/1024758251.db2.gz QOBULFHYPLBEOL-WBVHZDCISA-N 0 3 308.429 3.778 20 30 DHEDHN CCS[C@H]1CCC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877082745 1033235024 /nfs/dbraw/zinc/23/50/24/1033235024.db2.gz BONOGZDZZVMCOV-KGLIPLIRSA-N 0 3 309.866 3.761 20 30 DHEDHN COc1ccc([C@H]2CSCCN2[C@@H](C)CCCC#N)cc1 ZINC001172506939 1033235798 /nfs/dbraw/zinc/23/57/98/1033235798.db2.gz MGOQRHGCUGWBGD-WMLDXEAASA-N 0 3 304.459 3.867 20 30 DHEDHN C=CCC[C@@H](NCCN(C)C(=O)OC(C)(C)C)c1ccco1 ZINC000796741140 1024858399 /nfs/dbraw/zinc/85/83/99/1024858399.db2.gz BFSFTAMSZICVKY-CQSZACIVSA-N 0 3 308.422 3.743 20 30 DHEDHN CN1CCCC[C@@H]1c1ccc(NCC#Cc2ccccc2)nc1 ZINC001170425924 1024901740 /nfs/dbraw/zinc/90/17/40/1024901740.db2.gz KCGPMRKUNHURHL-LJQANCHMSA-N 0 3 305.425 3.702 20 30 DHEDHN CCCCCCCN1CCCC[C@]12CC(=O)N(CC(F)F)C2 ZINC001275113703 1024923396 /nfs/dbraw/zinc/92/33/96/1024923396.db2.gz HOFOMFZLEKYBSI-QGZVFWFLSA-N 0 3 316.436 3.679 20 30 DHEDHN CCCCCCCN1CCCC[C@@]12CC(=O)N(CC(F)F)C2 ZINC001275113702 1024924735 /nfs/dbraw/zinc/92/47/35/1024924735.db2.gz HOFOMFZLEKYBSI-KRWDZBQOSA-N 0 3 316.436 3.679 20 30 DHEDHN CC[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000618571846 1024973188 /nfs/dbraw/zinc/97/31/88/1024973188.db2.gz BTGDAZXKONMWGW-GCJKJVERSA-N 0 3 312.438 3.537 20 30 DHEDHN CCOC1(C(=O)C(C#N)c2nccc3ccccc32)CCCC1 ZINC000793280502 1024980197 /nfs/dbraw/zinc/98/01/97/1024980197.db2.gz FHPFKSNEXFFLJL-INIZCTEOSA-N 0 3 308.381 3.760 20 30 DHEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120761828 1025054660 /nfs/dbraw/zinc/05/46/60/1025054660.db2.gz KPDVJPZWYWGAGV-CJNGLKHVSA-N 0 3 324.428 3.913 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353413765 1025060088 /nfs/dbraw/zinc/06/00/88/1025060088.db2.gz QERZZMQUGPGGRO-RNODOKPDSA-N 0 3 319.408 3.855 20 30 DHEDHN Cc1oc(NC(=O)CN(C2CC2)C2CCCCC2)c(C#N)c1C ZINC000610927440 1025237715 /nfs/dbraw/zinc/23/77/15/1025237715.db2.gz UJODLQLWOJXDDY-UHFFFAOYSA-N 0 3 315.417 3.504 20 30 DHEDHN C[C@@H](NCc1nc(C#N)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000352843339 1025283628 /nfs/dbraw/zinc/28/36/28/1025283628.db2.gz YZSRVZBXQYOAAR-SFCYXTAJSA-N 0 3 301.459 3.709 20 30 DHEDHN N#CC(C(=O)C1CCC(F)(F)CC1)c1nc2ccccc2[nH]1 ZINC000136104332 1025382763 /nfs/dbraw/zinc/38/27/63/1025382763.db2.gz MEPMSLDFBQQBHP-LLVKDONJSA-N 0 3 303.312 3.565 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC(F)F)cc2)n1 ZINC000041521795 1025409149 /nfs/dbraw/zinc/40/91/49/1025409149.db2.gz LQDFRSYZBOSOQR-LLVKDONJSA-N 0 3 308.309 3.543 20 30 DHEDHN C=CCCCCCN1CCCC[C@@]12CC(=O)N(CC(=C)C)C2 ZINC001275328718 1025437622 /nfs/dbraw/zinc/43/76/22/1025437622.db2.gz BGBNPIWRCPKYNY-IBGZPJMESA-N 0 3 304.478 3.766 20 30 DHEDHN C=CCC(C)(C)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000644895222 1025484117 /nfs/dbraw/zinc/48/41/17/1025484117.db2.gz CJWQPBDKPWTNPI-UHFFFAOYSA-N 0 3 314.473 3.632 20 30 DHEDHN C[C@H](NC[C@H](O)CC1(C#N)CCC1)c1ccc(F)cc1Cl ZINC000886111592 1025510418 /nfs/dbraw/zinc/51/04/18/1025510418.db2.gz FEZBVQBRJWDEJS-WCQYABFASA-N 0 3 310.800 3.575 20 30 DHEDHN C=C(C)[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1ccc(F)c(F)c1 ZINC000886140159 1025526223 /nfs/dbraw/zinc/52/62/23/1025526223.db2.gz AYNGPFHFYUKWOQ-RHSMWYFYSA-N 0 3 320.383 3.616 20 30 DHEDHN COCc1csc(CNCc2ccc(SC)c(C#N)c2)c1 ZINC000886277077 1025578140 /nfs/dbraw/zinc/57/81/40/1025578140.db2.gz GFHQWNQZJBUDKP-UHFFFAOYSA-N 0 3 318.467 3.778 20 30 DHEDHN C#CC[C@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000886354027 1025600694 /nfs/dbraw/zinc/60/06/94/1025600694.db2.gz UWRBWIJFQFIWSD-ZDUSSCGKSA-N 0 3 300.789 3.840 20 30 DHEDHN C#CC[C@H]1CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000886360494 1025603255 /nfs/dbraw/zinc/60/32/55/1025603255.db2.gz WWHKXJXZUNDSKP-NSHDSACASA-N 0 3 308.303 3.692 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc2oc(=O)oc2c1 ZINC000893945948 1025618755 /nfs/dbraw/zinc/61/87/55/1025618755.db2.gz PBTMIYFVBWDJAH-UHFFFAOYSA-N 0 3 322.364 3.668 20 30 DHEDHN C=C(C)COc1cc(CN2CCC[C@@](C)(OC)C2)ccc1OC ZINC000355226018 1025645359 /nfs/dbraw/zinc/64/53/59/1025645359.db2.gz UBLDPSBAMZKYRS-LJQANCHMSA-N 0 3 319.445 3.651 20 30 DHEDHN Cc1nc(C2CCN(Cc3ccc(C)c(C#N)c3)CC2)[nH]c1C ZINC000886659498 1025766043 /nfs/dbraw/zinc/76/60/43/1025766043.db2.gz NWZBHXCARPCQAG-UHFFFAOYSA-N 0 3 308.429 3.586 20 30 DHEDHN C#CC[C@@H](N[C@@H](C)c1cccc(-n2ccnn2)c1)c1ccccc1 ZINC000806149653 1025808864 /nfs/dbraw/zinc/80/88/64/1025808864.db2.gz WATXUSHADOLAOJ-OXJNMPFZSA-N 0 3 316.408 3.683 20 30 DHEDHN C[C@H](c1ccc(Cl)cc1)N1CCN(CCCCC#N)CC1 ZINC000075863437 1025853513 /nfs/dbraw/zinc/85/35/13/1025853513.db2.gz YLJFKAIIOCYPQW-OAHLLOKOSA-N 0 3 305.853 3.712 20 30 DHEDHN C=CCC[C@H](NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1ccco1 ZINC000886766083 1025883077 /nfs/dbraw/zinc/88/30/77/1025883077.db2.gz BOJZXFBEWRZUEA-MUQADHOPSA-N 0 3 305.418 3.603 20 30 DHEDHN CCOc1c(OC)cc(CN[C@H](C)CC(C)(C)C#N)cc1OC ZINC000924873914 1026018395 /nfs/dbraw/zinc/01/83/95/1026018395.db2.gz UFMCAFQRCDXQIJ-CYBMUJFWSA-N 0 3 320.433 3.520 20 30 DHEDHN N#Cc1csc(CNC23CCC(C(F)(F)F)(CC2)CC3)n1 ZINC000356395019 1026037226 /nfs/dbraw/zinc/03/72/26/1026037226.db2.gz NBBCRYAFSFEUHY-UHFFFAOYSA-N 0 3 315.364 3.760 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000533064453 1026203279 /nfs/dbraw/zinc/20/32/79/1026203279.db2.gz PIYNBDPIIAOWPE-HXUWFJFHSA-N 0 3 312.457 3.708 20 30 DHEDHN C=CCC[C@H](C)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000765480111 1026243635 /nfs/dbraw/zinc/24/36/35/1026243635.db2.gz JDOFSSCPICMUBQ-INIZCTEOSA-N 0 3 301.430 3.797 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1C)C[C@@H]1COc2ccccc2O1 ZINC000614395983 1026290383 /nfs/dbraw/zinc/29/03/83/1026290383.db2.gz ILCYCFUZYJNTSB-GOSISDBHSA-N 0 3 322.408 3.529 20 30 DHEDHN C=CCN1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808692347 1026348681 /nfs/dbraw/zinc/34/86/81/1026348681.db2.gz PNHPPCKALPIOPQ-CYBMUJFWSA-N 0 3 308.853 3.655 20 30 DHEDHN C#Cc1ccc(CNc2ccccc2CN2CCSCC2)cc1 ZINC000809600241 1026571501 /nfs/dbraw/zinc/57/15/01/1026571501.db2.gz RFFFKOHHRUXGCJ-UHFFFAOYSA-N 0 3 322.477 3.829 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cc(C)c(O)c(C)c2)c1 ZINC000809621084 1026573253 /nfs/dbraw/zinc/57/32/53/1026573253.db2.gz UOLIRAPJLJRSFB-SFHVURJKSA-N 0 3 324.424 3.980 20 30 DHEDHN C#C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000809683493 1026591263 /nfs/dbraw/zinc/59/12/63/1026591263.db2.gz DHSMQEPTZAJTGR-CQSZACIVSA-N 0 3 305.381 3.552 20 30 DHEDHN C#C[C@@H](CC)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000809686316 1026592786 /nfs/dbraw/zinc/59/27/86/1026592786.db2.gz JSXSLXAECHQYNI-LBPRGKRZSA-N 0 3 300.383 3.825 20 30 DHEDHN C#C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(C)C ZINC000809684868 1026593198 /nfs/dbraw/zinc/59/31/98/1026593198.db2.gz QTDYTLFQNWOECA-IBGZPJMESA-N 0 3 309.409 3.719 20 30 DHEDHN C#C[C@H](NCc1cc(Br)c(OC)s1)C(C)(C)C ZINC000809781343 1026621971 /nfs/dbraw/zinc/62/19/71/1026621971.db2.gz OZFNAXRVMMWKGW-NSHDSACASA-N 0 3 316.264 3.657 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000810147037 1026692825 /nfs/dbraw/zinc/69/28/25/1026692825.db2.gz ZGKJWZWHGLEGHB-LSDHHAIUSA-N 0 3 301.390 3.580 20 30 DHEDHN CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(C)cc1[O-] ZINC000810250677 1026729911 /nfs/dbraw/zinc/72/99/11/1026729911.db2.gz OEFCBHYNSPWGNZ-QGZVFWFLSA-N 0 3 310.397 3.822 20 30 DHEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NNC[C@@H]1CCSC1 ZINC000811658242 1027045086 /nfs/dbraw/zinc/04/50/86/1027045086.db2.gz DILBSWSMJGZHOS-RXOMAGIPSA-N 0 3 315.486 3.626 20 30 DHEDHN C[C@H]1C(N=Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000811637074 1027046427 /nfs/dbraw/zinc/04/64/27/1027046427.db2.gz QIMCSEGPKSKVHJ-HNNXBMFYSA-N 0 3 304.397 3.621 20 30 DHEDHN Cc1nn(C)c2sc([C@H](C)NCc3ccc(C#N)s3)cc12 ZINC000421878091 1027078157 /nfs/dbraw/zinc/07/81/57/1027078157.db2.gz LQCTXLOXVXYZLG-JTQLQIEISA-N 0 3 316.455 3.727 20 30 DHEDHN CC(C)OCCON=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000812239163 1027217366 /nfs/dbraw/zinc/21/73/66/1027217366.db2.gz NRKSCJJJHBJBRA-SKJPKOHOSA-N 0 3 302.418 3.725 20 30 DHEDHN Cc1ccc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1C#N ZINC000931908740 1027297743 /nfs/dbraw/zinc/29/77/43/1027297743.db2.gz BNBSRQRXMNXWCQ-AWEZNQCLSA-N 0 3 312.310 3.733 20 30 DHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)OCO2 ZINC000574798805 1027429496 /nfs/dbraw/zinc/42/94/96/1027429496.db2.gz BWHHBEXOJNFLBS-SJCJKPOMSA-N 0 3 306.365 3.625 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1OC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847418 1027443109 /nfs/dbraw/zinc/44/31/09/1027443109.db2.gz DBBWHUUMZHIVOW-FOIQADDNSA-N 0 3 324.424 3.511 20 30 DHEDHN C#CCN(Cc1cccc(C(=O)N2CCCCC2)c1)C(C)(C)C ZINC000932465136 1027504454 /nfs/dbraw/zinc/50/44/54/1027504454.db2.gz XHSFBEVYSNKTPY-UHFFFAOYSA-N 0 3 312.457 3.546 20 30 DHEDHN C=CC1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000600679943 1027784564 /nfs/dbraw/zinc/78/45/64/1027784564.db2.gz KYHJATKNBHYRBH-LJQANCHMSA-N 0 3 312.457 3.638 20 30 DHEDHN O=C1C=COC2(CCN(Cc3ccc(C4CCC4)cc3)CC2)C1 ZINC000933646758 1027784594 /nfs/dbraw/zinc/78/45/94/1027784594.db2.gz OJWYEWORERFEPD-UHFFFAOYSA-N 0 3 311.425 3.792 20 30 DHEDHN CC[C@H](c1ccc(F)cc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000933651653 1027789909 /nfs/dbraw/zinc/78/99/09/1027789909.db2.gz NOHZKPRAPBCUQZ-QGZVFWFLSA-N 0 3 303.377 3.615 20 30 DHEDHN Cc1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)cc1F ZINC000527809747 1027895582 /nfs/dbraw/zinc/89/55/82/1027895582.db2.gz FUSAIRSJLPPQCK-UHFFFAOYSA-N 0 3 324.399 3.801 20 30 DHEDHN Cc1ccc(F)cc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000527813057 1027896374 /nfs/dbraw/zinc/89/63/74/1027896374.db2.gz VNFFTWZNXZGRFD-UHFFFAOYSA-N 0 3 324.399 3.801 20 30 DHEDHN COc1ccc([C@H](NCc2ccc(C#N)c(C)c2)C2CC2)cn1 ZINC000527840695 1027917154 /nfs/dbraw/zinc/91/71/54/1027917154.db2.gz INFOQTFSKLZIAS-LJQANCHMSA-N 0 3 307.397 3.511 20 30 DHEDHN COc1c(C)cc(CNC2(c3cccc(C#N)c3)CC2)cc1C ZINC000747923379 1027947121 /nfs/dbraw/zinc/94/71/21/1027947121.db2.gz KDTCSVDMKGMVKN-UHFFFAOYSA-N 0 3 306.409 3.963 20 30 DHEDHN COc1ccc([C@@H]2CCCN2CCCCC(C)(C)C#N)nc1 ZINC000934343468 1027975527 /nfs/dbraw/zinc/97/55/27/1027975527.db2.gz LIABPQDGSACROK-KRWDZBQOSA-N 0 3 301.434 3.947 20 30 DHEDHN CCOc1ccc(CN[C@@H](CCC#N)c2ccccc2)c(O)c1 ZINC000747929714 1027981302 /nfs/dbraw/zinc/98/13/02/1027981302.db2.gz UERLQAZMKWTISE-SFHVURJKSA-N 0 3 310.397 3.926 20 30 DHEDHN CCOc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c([O-])c1 ZINC000747929714 1027981314 /nfs/dbraw/zinc/98/13/14/1027981314.db2.gz UERLQAZMKWTISE-SFHVURJKSA-N 0 3 310.397 3.926 20 30 DHEDHN C[C@@H](NCc1cccc2c1CCOC2)c1ccc(C#N)c(F)c1 ZINC000601303010 1028066820 /nfs/dbraw/zinc/06/68/20/1028066820.db2.gz AQMGFUWWFAUHMM-CYBMUJFWSA-N 0 3 310.372 3.621 20 30 DHEDHN C[C@H](NCc1cccc2c1CCOC2)c1ccc(C#N)c(F)c1 ZINC000601303011 1028067886 /nfs/dbraw/zinc/06/78/86/1028067886.db2.gz AQMGFUWWFAUHMM-ZDUSSCGKSA-N 0 3 310.372 3.621 20 30 DHEDHN N#CC(=C([O-])c1cccc(C[NH+]2CCCCC2)c1)c1ccccn1 ZINC000563667824 1028156784 /nfs/dbraw/zinc/15/67/84/1028156784.db2.gz YTWTYVQBGDPPJN-GOSISDBHSA-N 0 3 319.408 3.558 20 30 DHEDHN c1ccc(CCCNN=C2CC[C@@H]3CNc4cccc2c43)cc1 ZINC000814837876 1028239424 /nfs/dbraw/zinc/23/94/24/1028239424.db2.gz OYDGSXOSLNOVQJ-MRXNPFEDSA-N 0 3 305.425 3.916 20 30 DHEDHN C[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)c1cccs1 ZINC000367795007 1028239748 /nfs/dbraw/zinc/23/97/48/1028239748.db2.gz NJJVEJHJYYBIQX-ZDUSSCGKSA-N 0 3 322.437 3.871 20 30 DHEDHN C[C@H](NCc1cnc[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367827263 1028243763 /nfs/dbraw/zinc/24/37/63/1028243763.db2.gz RSXGQYQHEUMNNI-AWEZNQCLSA-N 0 3 302.381 3.799 20 30 DHEDHN Cc1cc(CN2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000449015121 1028243738 /nfs/dbraw/zinc/24/37/38/1028243738.db2.gz SBOOKARTCWWVAI-UHFFFAOYSA-N 0 3 311.454 3.641 20 30 DHEDHN C=CC[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000815580882 1028554183 /nfs/dbraw/zinc/55/41/83/1028554183.db2.gz SKJRCLIRRVCDNA-LRDDRELGSA-N 0 3 312.373 3.540 20 30 DHEDHN C=CCC[C@H](O)CN(C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000370488773 1028610070 /nfs/dbraw/zinc/61/00/70/1028610070.db2.gz SKPZGMJPNQQWCW-ICSRJNTNSA-N 0 3 310.441 3.738 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)cc1 ZINC000815909925 1028647138 /nfs/dbraw/zinc/64/71/38/1028647138.db2.gz LBGSKBJLHKTRCG-XJKSGUPXSA-N 0 3 323.396 3.541 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@H](SC)C2)ccc1OC ZINC000449445736 1028649327 /nfs/dbraw/zinc/64/93/27/1028649327.db2.gz LAZWSSZJHIBIPK-HNNXBMFYSA-N 0 3 307.459 3.587 20 30 DHEDHN N#CC(C(=O)c1cc[nH]c1C1CCC1)c1cnc2ccccc2n1 ZINC000566327007 1028705545 /nfs/dbraw/zinc/70/55/45/1028705545.db2.gz MUTPSHBVMMUNPQ-AWEZNQCLSA-N 0 3 316.364 3.715 20 30 DHEDHN N#Cc1ccc2ncc(CN[C@H](c3cccs3)C3CC3)n2c1 ZINC000566396801 1028715852 /nfs/dbraw/zinc/71/58/52/1028715852.db2.gz FJZNORMALWKJCF-KRWDZBQOSA-N 0 3 308.410 3.508 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000449519101 1028743874 /nfs/dbraw/zinc/74/38/74/1028743874.db2.gz LHKHQCQYFRMPQH-CABCVRRESA-N 0 3 320.845 3.897 20 30 DHEDHN N#CC(C(=O)C[C@H]1C=CCC1)c1nc2ccccc2n1C(F)F ZINC000041558117 1028753688 /nfs/dbraw/zinc/75/36/88/1028753688.db2.gz FIJFCIUQSGGRMJ-NWDGAFQWSA-N 0 3 315.323 3.964 20 30 DHEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000528912109 1028918074 /nfs/dbraw/zinc/91/80/74/1028918074.db2.gz IISDIAUAWUYZCV-NVGYGPBWSA-N 0 3 314.410 3.532 20 30 DHEDHN N#Cc1ccc(F)c(C[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816554272 1028940516 /nfs/dbraw/zinc/94/05/16/1028940516.db2.gz TXPNVCOYJKEYCS-UHFFFAOYSA-N 0 3 306.340 3.846 20 30 DHEDHN C=C(CC)CNCc1ccc(OC)cc1OCc1cccnc1 ZINC000449737076 1028957230 /nfs/dbraw/zinc/95/72/30/1028957230.db2.gz YIHQZXUACFZCQY-UHFFFAOYSA-N 0 3 312.413 3.725 20 30 DHEDHN C[C@@H]1CN(Cc2cccc(OCc3ccccc3C#N)c2)[C@H]1C ZINC000816647779 1028975750 /nfs/dbraw/zinc/97/57/50/1028975750.db2.gz YAYDEQNEWCLTFL-CVEARBPZSA-N 0 3 306.409 3.977 20 30 DHEDHN C=CCN(CCCC(=O)NCCC)Cc1ccc(Cl)s1 ZINC000411131601 1029039936 /nfs/dbraw/zinc/03/99/36/1029039936.db2.gz ICLVRLDGRHLLFA-UHFFFAOYSA-N 0 3 314.882 3.696 20 30 DHEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2cc(C)sc2C)C1=O ZINC001276172504 1029172095 /nfs/dbraw/zinc/17/20/95/1029172095.db2.gz RRGJUKYDTXGLKW-GOSISDBHSA-N 0 3 318.486 3.508 20 30 DHEDHN COCCC[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000282026887 1029258391 /nfs/dbraw/zinc/25/83/91/1029258391.db2.gz SSTFWRKOBBVUQH-IBGZPJMESA-N 0 3 312.388 3.955 20 30 DHEDHN Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000818108129 1029336520 /nfs/dbraw/zinc/33/65/20/1029336520.db2.gz HSAJXPJSQRLANY-AWEZNQCLSA-N 0 3 319.474 3.845 20 30 DHEDHN C#C[C@@H]1CCCN([C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170887082 1029337095 /nfs/dbraw/zinc/33/70/95/1029337095.db2.gz SWVAICOLKWQYIX-DYVFJYSZSA-N 0 3 318.258 3.652 20 30 DHEDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1[O-] ZINC000818356894 1029382394 /nfs/dbraw/zinc/38/23/94/1029382394.db2.gz SGCMNMSFEPCYSS-NTZNESFSSA-N 0 3 323.234 3.806 20 30 DHEDHN N#Cc1c(C(F)F)cccc1N1CCN(C2CCCC2)CC1 ZINC000570892336 1029435846 /nfs/dbraw/zinc/43/58/46/1029435846.db2.gz NQCWTDJJYBKLHC-UHFFFAOYSA-N 0 3 305.372 3.560 20 30 DHEDHN CCOc1ccc(CNCc2cccc(C#N)c2)cc1Cl ZINC000571068542 1029447477 /nfs/dbraw/zinc/44/74/77/1029447477.db2.gz KENFKCKZIKVDIM-UHFFFAOYSA-N 0 3 300.789 3.900 20 30 DHEDHN C=C(CN1CCCC1)c1nc(-c2cc(F)ccc2Cl)no1 ZINC001206094214 1029821835 /nfs/dbraw/zinc/82/18/35/1029821835.db2.gz AQIHPZBFUWEBEU-UHFFFAOYSA-N 0 3 307.756 3.638 20 30 DHEDHN C=CCOCCN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451297024 1029841589 /nfs/dbraw/zinc/84/15/89/1029841589.db2.gz RBMNJTSINYQDHQ-UHFFFAOYSA-N 0 3 320.380 3.544 20 30 DHEDHN CN(Cc1ccc(CC#N)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451338644 1029851934 /nfs/dbraw/zinc/85/19/34/1029851934.db2.gz ZBMMVJIWEDHPTL-GOSISDBHSA-N 0 3 314.816 3.571 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000822525636 1030044824 /nfs/dbraw/zinc/04/48/24/1030044824.db2.gz KSGZHDXPGUQKDL-AWEZNQCLSA-N 0 3 311.404 3.956 20 30 DHEDHN CC(C)C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000357420844 1030046182 /nfs/dbraw/zinc/04/61/82/1030046182.db2.gz PHIURFFCXSBNJA-IBGZPJMESA-N 0 3 321.424 3.874 20 30 DHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000533290217 1030248463 /nfs/dbraw/zinc/24/84/63/1030248463.db2.gz UMTHBAOIUWUKBW-HNNXBMFYSA-N 0 3 306.425 3.509 20 30 DHEDHN C=CC[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000777544165 1030260700 /nfs/dbraw/zinc/26/07/00/1030260700.db2.gz FQSHTXBPIDTGRW-UHFFFAOYSA-N 0 3 306.203 3.926 20 30 DHEDHN C=CC[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000777544165 1030260683 /nfs/dbraw/zinc/26/06/83/1030260683.db2.gz FQSHTXBPIDTGRW-UHFFFAOYSA-N 0 3 306.203 3.926 20 30 DHEDHN C#Cc1cccc(CN[C@H]2CCCOc3c(OC)cccc32)c1 ZINC000866370472 1030261529 /nfs/dbraw/zinc/26/15/29/1030261529.db2.gz WVGWFFRWGDJABQ-SFHVURJKSA-N 0 3 307.393 3.680 20 30 DHEDHN COCCCOc1cc(C)ccc1CN[C@@H](C)CC(C)(C)C#N ZINC000925247756 1030321531 /nfs/dbraw/zinc/32/15/31/1030321531.db2.gz KZAMUTICNDRYKE-INIZCTEOSA-N 0 3 318.461 3.828 20 30 DHEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cccc(OC)c1OC ZINC000866509453 1030333925 /nfs/dbraw/zinc/33/39/25/1030333925.db2.gz YQNBTIFFIFSZEJ-FMKPAKJESA-N 0 3 302.418 3.827 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1ccc(F)cc1F ZINC000823616833 1030343170 /nfs/dbraw/zinc/34/31/70/1030343170.db2.gz CDMHICNHLOEUJP-KZULUSFZSA-N 0 3 316.351 3.563 20 30 DHEDHN C=CCCCN(C)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000533437381 1030354556 /nfs/dbraw/zinc/35/45/56/1030354556.db2.gz HCPIUQXMJKLEDC-QGZVFWFLSA-N 0 3 304.409 3.528 20 30 DHEDHN CC(C)[C@H](CNCc1ccc(C#N)cc1F)Nc1ccccc1 ZINC000533446539 1030365073 /nfs/dbraw/zinc/36/50/73/1030365073.db2.gz NVAIZZRVPRAGFT-IBGZPJMESA-N 0 3 311.404 3.924 20 30 DHEDHN C=CCC[C@H](C)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000866560245 1030366746 /nfs/dbraw/zinc/36/67/46/1030366746.db2.gz QMIHRLJZODXNTO-NSHDSACASA-N 0 3 301.356 3.683 20 30 DHEDHN CC#CCN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533500793 1030403434 /nfs/dbraw/zinc/40/34/34/1030403434.db2.gz CBAKNNIGVHTULW-AWEZNQCLSA-N 0 3 315.804 3.593 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OCC3CC3)cc2)n1 ZINC000066504235 1030514981 /nfs/dbraw/zinc/51/49/81/1030514981.db2.gz ZHEFEPLWVZTHNH-HNNXBMFYSA-N 0 3 312.394 3.730 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](NCc1cccc(OC(F)F)c1)CC2 ZINC000558493659 1030602759 /nfs/dbraw/zinc/60/27/59/1030602759.db2.gz GTPRDFDPUOPQNF-QGZVFWFLSA-N 0 3 314.335 3.937 20 30 DHEDHN C=CCCC1(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000359534742 1031012249 /nfs/dbraw/zinc/01/22/49/1031012249.db2.gz BXQPMUJGPBDEFW-HUUCEWRRSA-N 0 3 304.434 3.571 20 30 DHEDHN COCc1cc([C@@H](C)NCc2ccc(C)c(C#N)c2)ccc1OC ZINC000926963075 1031018655 /nfs/dbraw/zinc/01/86/55/1031018655.db2.gz CKARILZTHOHXHB-OAHLLOKOSA-N 0 3 324.424 3.873 20 30 DHEDHN COCc1cc([C@H](C)NCc2ccc(C)c(C#N)c2)ccc1OC ZINC000926963074 1031020368 /nfs/dbraw/zinc/02/03/68/1031020368.db2.gz CKARILZTHOHXHB-HNNXBMFYSA-N 0 3 324.424 3.873 20 30 DHEDHN C=CCC[C@H](NC[C@H]1CCC2(CCOCC2)O1)c1ccco1 ZINC000927016447 1031035466 /nfs/dbraw/zinc/03/54/66/1031035466.db2.gz TZRRMOLYURWJQK-CVEARBPZSA-N 0 3 305.418 3.605 20 30 DHEDHN CC[C@H](N[C@H]1c2ccccc2CC[C@H]1O)c1cccc(C#N)c1 ZINC000927139959 1031114024 /nfs/dbraw/zinc/11/40/24/1031114024.db2.gz PBXDWUKJUMGCPL-ZCNNSNEGSA-N 0 3 306.409 3.647 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1c2ccccc2CC[C@H]1O ZINC000927142091 1031117237 /nfs/dbraw/zinc/11/72/37/1031117237.db2.gz YQXCWNXOAMJIOT-HBMCJLEFSA-N 0 3 318.420 3.574 20 30 DHEDHN C=CC[C@H](C)[C@@H](C)NC1(c2ncc(Br)cn2)CCC1 ZINC000927146384 1031119325 /nfs/dbraw/zinc/11/93/25/1031119325.db2.gz WGGVOCQYTNMHBP-NWDGAFQWSA-N 0 3 324.266 3.809 20 30 DHEDHN CC1(C)CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCC[C@@H]21 ZINC000293048315 1031303325 /nfs/dbraw/zinc/30/33/25/1031303325.db2.gz MPABYXSVFPKKKA-HOTGVXAUSA-N 0 3 322.412 3.619 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H](CCc3ccccc3)C2)nc1 ZINC001144169575 1031306444 /nfs/dbraw/zinc/30/64/44/1031306444.db2.gz MQPFXKVLAYBGJW-GOSISDBHSA-N 0 3 305.425 3.798 20 30 DHEDHN CC[C@@H](Cc1cn(C)c2ccccc12)NC[C@@H](C#N)CCC#N ZINC000871906737 1031380059 /nfs/dbraw/zinc/38/00/59/1031380059.db2.gz FXRMVUDRLOUVJF-WBVHZDCISA-N 0 3 308.429 3.533 20 30 DHEDHN C=CCOc1ccc(CN2CCN(C3CCC3)CC2)cc1Cl ZINC000536677033 1031386078 /nfs/dbraw/zinc/38/60/78/1031386078.db2.gz XKAUXIZFVHELRA-UHFFFAOYSA-N 0 3 320.864 3.575 20 30 DHEDHN COc1cc(CN(C)Cc2c(C)cc(C#N)cc2C)ccc1O ZINC000929526848 1031541948 /nfs/dbraw/zinc/54/19/48/1031541948.db2.gz YTTDWTBHLOVZEV-UHFFFAOYSA-N 0 3 310.397 3.521 20 30 DHEDHN Cc1nc2[nH]ccc2cc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171181852 1031578503 /nfs/dbraw/zinc/57/85/03/1031578503.db2.gz DXBYBJMCYUKXOD-UHFFFAOYSA-N 0 3 316.364 3.719 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC2(C)CCCCCC2)CC1 ZINC000537351736 1031581650 /nfs/dbraw/zinc/58/16/50/1031581650.db2.gz JCMKREHWSOZXBD-UHFFFAOYSA-N 0 3 321.509 3.687 20 30 DHEDHN C[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000537405488 1031592254 /nfs/dbraw/zinc/59/22/54/1031592254.db2.gz LKFUVYONWAXTNF-DEYYWGMASA-N 0 3 304.409 3.943 20 30 DHEDHN C[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000537405493 1031593153 /nfs/dbraw/zinc/59/31/53/1031593153.db2.gz LKFUVYONWAXTNF-QWQRMKEZSA-N 0 3 304.409 3.943 20 30 DHEDHN N#Cc1cncc(CN(C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000929889687 1031636494 /nfs/dbraw/zinc/63/64/94/1031636494.db2.gz HCCXAHLWBAGKQK-FQEVSTJZSA-N 0 3 303.409 3.995 20 30 DHEDHN CC(C)n1cncc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000897588457 1031661398 /nfs/dbraw/zinc/66/13/98/1031661398.db2.gz CLBOTMVVRBUSCL-UHFFFAOYSA-N 0 3 308.429 3.715 20 30 DHEDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000845737146 1031677418 /nfs/dbraw/zinc/67/74/18/1031677418.db2.gz WENRSCIAJJYPIF-MRXNPFEDSA-N 0 3 314.429 3.517 20 30 DHEDHN N#CC1(CCCCN2CC(c3nc4ccccc4[nH]3)C2)CCC1 ZINC000930027315 1031679274 /nfs/dbraw/zinc/67/92/74/1031679274.db2.gz JIMMULUNRDOTPS-UHFFFAOYSA-N 0 3 308.429 3.826 20 30 DHEDHN Cc1c(CN[C@H]2CCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000873116197 1031715729 /nfs/dbraw/zinc/71/57/29/1031715729.db2.gz XMJXMYKFNUXXDN-KRWDZBQOSA-N 0 3 307.353 3.552 20 30 DHEDHN C=C(C)COc1cc(CN[C@H](C)c2ccc[nH]2)ccc1OC ZINC000760445959 1031720410 /nfs/dbraw/zinc/72/04/10/1031720410.db2.gz QJNBHZQNRRBOMK-CQSZACIVSA-N 0 3 300.402 3.829 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CNC1(c2cccc(C#N)c2)CC1 ZINC000930218920 1031742247 /nfs/dbraw/zinc/74/22/47/1031742247.db2.gz GITZMMZGSFSMPG-UHFFFAOYSA-N 0 3 301.393 3.826 20 30 DHEDHN CC(C)[C@@H](NCC1CCC(C#N)CC1)c1nc(C2CC2)no1 ZINC000930235695 1031750827 /nfs/dbraw/zinc/75/08/27/1031750827.db2.gz DSWOPXYBZGSJLN-SSDMNJCBSA-N 0 3 302.422 3.564 20 30 DHEDHN COc1ccc(C[C@H]2CCCCN2Cc2cncc(C#N)c2)cc1 ZINC000930855288 1031966115 /nfs/dbraw/zinc/96/61/15/1031966115.db2.gz NKAJGHOVXPCPSD-LJQANCHMSA-N 0 3 321.424 3.559 20 30 DHEDHN CC[C@@H](CC#N)N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000136958931 1033317930 /nfs/dbraw/zinc/31/79/30/1033317930.db2.gz ZGUSWYQQFOSCPS-VNQPRFMTSA-N 0 3 301.390 3.588 20 30 DHEDHN N#Cc1cnc(Cl)c(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000877496317 1033325822 /nfs/dbraw/zinc/32/58/22/1033325822.db2.gz RHRSLUHCSGJGCR-SAZUREKKSA-N 0 3 315.779 3.782 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CCc3ccccc32)c1 ZINC000877556074 1033355177 /nfs/dbraw/zinc/35/51/77/1033355177.db2.gz LBYZRTLOBYWWEE-HNNXBMFYSA-N 0 3 311.816 3.816 20 30 DHEDHN C[C@@H](CCCc1cccnc1)NCc1cc(C#N)cnc1Cl ZINC000877583658 1033368868 /nfs/dbraw/zinc/36/88/68/1033368868.db2.gz KZTGGYRBCQLBGN-ZDUSSCGKSA-N 0 3 314.820 3.503 20 30 DHEDHN CC[C@H](Cc1ccc(F)cc1)NCc1cc(C#N)cnc1Cl ZINC000877621217 1033385679 /nfs/dbraw/zinc/38/56/79/1033385679.db2.gz SXFFWRNZJHPZKP-MRXNPFEDSA-N 0 3 317.795 3.857 20 30 DHEDHN N#Cc1cnc(Cl)c(CN2CCC3(CCSCC3)CC2)c1 ZINC000877672984 1033408032 /nfs/dbraw/zinc/40/80/32/1033408032.db2.gz BJUSAYFWYKHSPI-UHFFFAOYSA-N 0 3 321.877 3.716 20 30 DHEDHN C=CCN(Cc1ccccc1)[C@@H]1COc2cccc(OC)c2C1 ZINC001173165507 1033564708 /nfs/dbraw/zinc/56/47/08/1033564708.db2.gz MWSFFWPBMFEUTP-KRWDZBQOSA-N 0 3 309.409 3.687 20 30 DHEDHN CC(C)(C)OC(=O)[C@@H]1CCCCN1C1CCC(CC#N)CC1 ZINC001173338172 1033693819 /nfs/dbraw/zinc/69/38/19/1033693819.db2.gz ANRSTCWGPKHORL-GPANFISMSA-N 0 3 306.450 3.655 20 30 DHEDHN C=CCC1(NCc2nnc(-c3cccc(O)c3)o2)CCCCC1 ZINC000879040346 1033904668 /nfs/dbraw/zinc/90/46/68/1033904668.db2.gz XXOYXVRZMACBGA-UHFFFAOYSA-N 0 3 313.401 3.811 20 30 DHEDHN C#CCN(Cc1ccc(NC(C)=O)cc1)[C@H]1CCc2ccccc21 ZINC000127536307 1033933822 /nfs/dbraw/zinc/93/38/22/1033933822.db2.gz ULSOWHHRQWOFII-NRFANRHFSA-N 0 3 318.420 3.768 20 30 DHEDHN CC(CCCC[NH+](C)C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863128721 1034003704 /nfs/dbraw/zinc/00/37/04/1034003704.db2.gz PXZANGAQDHGGPE-UHFFFAOYSA-N 0 3 317.462 3.812 20 30 DHEDHN N#Cc1ccc(CNC[C@@H](c2ccco2)N2CCCCC2)s1 ZINC000176941359 1034123316 /nfs/dbraw/zinc/12/33/16/1034123316.db2.gz KGILGFXCCCLZSL-INIZCTEOSA-N 0 3 315.442 3.530 20 30 DHEDHN N#Cc1c(F)cccc1CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000794549524 1034185771 /nfs/dbraw/zinc/18/57/71/1034185771.db2.gz XGXZCZAAMMLSDW-HNNXBMFYSA-N 0 3 300.764 3.608 20 30 DHEDHN CCCCCCCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000794571057 1034224832 /nfs/dbraw/zinc/22/48/32/1034224832.db2.gz HPRZWUQCPAIQHO-SFHVURJKSA-N 0 3 318.461 3.552 20 30 DHEDHN COc1ccccc1[C@H]1CSCCCN1CC1(CC#N)CC1 ZINC000880176876 1034232808 /nfs/dbraw/zinc/23/28/08/1034232808.db2.gz UTUYUJXILKZOMQ-MRXNPFEDSA-N 0 3 316.470 3.869 20 30 DHEDHN N#CCCCNC1(c2cc(Cl)cc(Br)c2)CC1 ZINC000880350830 1034304597 /nfs/dbraw/zinc/30/45/97/1034304597.db2.gz GQOHPRJCYFPNRS-UHFFFAOYSA-N 0 3 313.626 3.985 20 30 DHEDHN N#Cc1cc(NC2=CCCN(Cc3ccccc3)C2)ccc1F ZINC001174397352 1034325110 /nfs/dbraw/zinc/32/51/10/1034325110.db2.gz VFQAWZJVXXOIDR-UHFFFAOYSA-N 0 3 307.372 3.899 20 30 DHEDHN CN(Cn1ccc(-c2ccc(C#N)cc2)n1)[C@@H]1CCC(C)(C)C1 ZINC000794686776 1034342800 /nfs/dbraw/zinc/34/28/00/1034342800.db2.gz QUHISRYQSMACCC-QGZVFWFLSA-N 0 3 308.429 3.890 20 30 DHEDHN N#Cc1cccc(CN2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC000554946225 1034428337 /nfs/dbraw/zinc/42/83/37/1034428337.db2.gz QDFAABMQCSBUAG-HXUWFJFHSA-N 0 3 304.393 3.528 20 30 DHEDHN CC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(C)cc1[O-] ZINC000794817821 1034538933 /nfs/dbraw/zinc/53/89/33/1034538933.db2.gz RHISOWGIHUMJOJ-GOSISDBHSA-N 0 3 310.397 3.692 20 30 DHEDHN C=C(C)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC001174789388 1034603514 /nfs/dbraw/zinc/60/35/14/1034603514.db2.gz JETSUVLFPCFECN-UHFFFAOYSA-N 0 3 307.441 3.954 20 30 DHEDHN C=CCOCCN[C@@H](COc1ccccc1F)c1ccccc1 ZINC000555420662 1034689542 /nfs/dbraw/zinc/68/95/42/1034689542.db2.gz NZTQKPCAHGWQQU-SFHVURJKSA-N 0 3 315.388 3.738 20 30 DHEDHN C=CCCC[C@@H](C)NCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865522350 1034690819 /nfs/dbraw/zinc/69/08/19/1034690819.db2.gz OVHSFCWOYUZMFH-CYBMUJFWSA-N 0 3 320.437 3.658 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(O)(c2ccccc2)CC1 ZINC000187726467 1034726915 /nfs/dbraw/zinc/72/69/15/1034726915.db2.gz QANATWRCDPSHHS-MRXNPFEDSA-N 0 3 306.409 3.603 20 30 DHEDHN CC(C)OC(=O)C[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187725979 1034728900 /nfs/dbraw/zinc/72/89/00/1034728900.db2.gz CKUWPKVLFSVQKV-DOTOQJQBSA-N 0 3 314.429 3.673 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000481693315 1034931699 /nfs/dbraw/zinc/93/16/99/1034931699.db2.gz QSZDRHRJBUIYFG-CVEARBPZSA-N 0 3 321.509 3.541 20 30 DHEDHN CC#CCCNCc1cccc(Br)c1OC(F)F ZINC000482159809 1035061879 /nfs/dbraw/zinc/06/18/79/1035061879.db2.gz YQTKSFBNWMHQSS-UHFFFAOYSA-N 0 3 318.161 3.554 20 30 DHEDHN C#Cc1ccccc1Nc1ccc(N2CCN(CC)CC2)cc1 ZINC001175782346 1035119808 /nfs/dbraw/zinc/11/98/08/1035119808.db2.gz SNGTUOOOFNQIED-UHFFFAOYSA-N 0 3 305.425 3.553 20 30 DHEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128733133 1035186551 /nfs/dbraw/zinc/18/65/51/1035186551.db2.gz YWJJYPMKILVADT-INIZCTEOSA-N 0 3 318.332 3.702 20 30 DHEDHN CCCN(CC(=O)Nc1ccccc1C)CC(C)(C)CCC#N ZINC000160743183 1035228413 /nfs/dbraw/zinc/22/84/13/1035228413.db2.gz GNEZDLVBVBBWFG-UHFFFAOYSA-N 0 3 315.461 3.976 20 30 DHEDHN C=C(C)COCCN[C@@H](C)c1ccc(Br)cc1F ZINC000163557202 1035328199 /nfs/dbraw/zinc/32/81/99/1035328199.db2.gz BDOWCTNLGNSITM-NSHDSACASA-N 0 3 316.214 3.832 20 30 DHEDHN C=CCN(CCOC)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000484691201 1035389377 /nfs/dbraw/zinc/38/93/77/1035389377.db2.gz YTTUXZKTPUTRJH-GFCCVEGCSA-N 0 3 303.324 3.781 20 30 DHEDHN C=CCC1(NCc2cn(-c3ccc(F)cc3)nn2)CCCCC1 ZINC001178723186 1035442968 /nfs/dbraw/zinc/44/29/68/1035442968.db2.gz GCBGMODBHSNILT-UHFFFAOYSA-N 0 3 314.408 3.775 20 30 DHEDHN C=CCC[C@@H](CO)NCc1cc2cccc(C)c2nc1Cl ZINC001178709180 1035443625 /nfs/dbraw/zinc/44/36/25/1035443625.db2.gz BFWYOSNCZWRBSB-HNNXBMFYSA-N 0 3 304.821 3.613 20 30 DHEDHN C=CCC[C@H](CO)NCc1cc2cccc(C)c2nc1Cl ZINC001178709181 1035444169 /nfs/dbraw/zinc/44/41/69/1035444169.db2.gz BFWYOSNCZWRBSB-OAHLLOKOSA-N 0 3 304.821 3.613 20 30 DHEDHN C=CC(C)(C)CNCc1nc2cc(Br)ccc2o1 ZINC001178736877 1035444737 /nfs/dbraw/zinc/44/47/37/1035444737.db2.gz JTLWXJWRYLLGNM-UHFFFAOYSA-N 0 3 309.207 3.892 20 30 DHEDHN CCCCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905081255 1035478676 /nfs/dbraw/zinc/47/86/76/1035478676.db2.gz QNQUIZWHGTZCTF-KWWJGWKXSA-N 0 3 311.385 3.688 20 30 DHEDHN C#C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000775575520 1035565472 /nfs/dbraw/zinc/56/54/72/1035565472.db2.gz YGTLMNFMCBIOSP-FFZOFVMBSA-N 0 3 312.457 3.508 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC2CCC(C)(C)CC2)CC1 ZINC000535343820 1035581395 /nfs/dbraw/zinc/58/13/95/1035581395.db2.gz HCSVKHSWUSTEQO-UHFFFAOYSA-N 0 3 321.509 3.543 20 30 DHEDHN C#CCCCCCCN1CCN(c2ccccc2OCC)CC1 ZINC001180375033 1035661204 /nfs/dbraw/zinc/66/12/04/1035661204.db2.gz BYLVVTFOFMJKEZ-UHFFFAOYSA-N 0 3 314.473 3.791 20 30 DHEDHN N#CC1(C[C@H](O)CN2CC3(CCC3)[C@@H]2c2ccccc2)CCC1 ZINC000905956554 1035715225 /nfs/dbraw/zinc/71/52/25/1035715225.db2.gz KSEXCNLQFAVMKU-ROUUACIJSA-N 0 3 310.441 3.658 20 30 DHEDHN Cc1ccsc1[C@@H](CO)NCc1ccccc1C(C)(C)C#N ZINC000494642334 1035757813 /nfs/dbraw/zinc/75/78/13/1035757813.db2.gz JGILWMKHTIAPGQ-MRXNPFEDSA-N 0 3 314.454 3.681 20 30 DHEDHN C[C@@H](NCC#Cc1ccccc1)c1cccc(N2CCCC2)c1 ZINC000192162412 1035773192 /nfs/dbraw/zinc/77/31/92/1035773192.db2.gz FHQXUPJBGOSMQU-GOSISDBHSA-N 0 3 304.437 3.989 20 30 DHEDHN C=C(C)CN(Cc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC001194051942 1035814638 /nfs/dbraw/zinc/81/46/38/1035814638.db2.gz MJSMFXYWSOMGDC-SFHVURJKSA-N 0 3 309.409 3.905 20 30 DHEDHN C=C(CC)CN1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001194165743 1035853283 /nfs/dbraw/zinc/85/32/83/1035853283.db2.gz VAHNVNHTCSCWCA-IRXDYDNUSA-N 0 3 308.466 3.676 20 30 DHEDHN C=C(CC)CN1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001194165745 1035855273 /nfs/dbraw/zinc/85/52/73/1035855273.db2.gz VAHNVNHTCSCWCA-SJORKVTESA-N 0 3 308.466 3.676 20 30 DHEDHN C=CCOC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC001194319748 1035901004 /nfs/dbraw/zinc/90/10/04/1035901004.db2.gz BQLFTJKCTABPRP-QGZVFWFLSA-N 0 3 322.408 3.998 20 30 DHEDHN CCO[C@@H]1C[C@H](NCC#Cc2ccccc2Cl)C12CCC2 ZINC001194446185 1035939433 /nfs/dbraw/zinc/93/94/33/1035939433.db2.gz NWEJUBDMMAOAQF-DLBZAZTESA-N 0 3 303.833 3.629 20 30 DHEDHN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC001194763252 1036028048 /nfs/dbraw/zinc/02/80/48/1036028048.db2.gz CJRQCHNHULXYPE-MRXNPFEDSA-N 0 3 322.408 3.610 20 30 DHEDHN C=CCCC[C@H](C)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000540297932 1036032006 /nfs/dbraw/zinc/03/20/06/1036032006.db2.gz SVBCVYKANLPKOQ-YOEHRIQHSA-N 0 3 304.409 3.608 20 30 DHEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccns1 ZINC000924809939 1036079639 /nfs/dbraw/zinc/07/96/39/1036079639.db2.gz GEENERHRJDLFMB-GFCCVEGCSA-N 0 3 303.456 3.599 20 30 DHEDHN C=CCC1([NH2+]Cc2cc(=O)oc3c(C)c([O-])ccc23)CCCC1 ZINC001196149864 1036454266 /nfs/dbraw/zinc/45/42/66/1036454266.db2.gz JRIHCBSITWRVEL-UHFFFAOYSA-N 0 3 313.397 3.786 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)CCCCCCCC#CC ZINC001182771976 1036454823 /nfs/dbraw/zinc/45/48/23/1036454823.db2.gz NKXOVPGTBUDXSY-SFHVURJKSA-N 0 3 304.478 3.507 20 30 DHEDHN C#Cc1ccc(NC(=O)CCN2Cc3ccccc3[C@H]2C)cc1 ZINC001196401917 1036521373 /nfs/dbraw/zinc/52/13/73/1036521373.db2.gz DWBWNAJIKDRTGG-OAHLLOKOSA-N 0 3 304.393 3.573 20 30 DHEDHN C#CCCOc1ccc(CN[C@H]2CCc3c2cccc3OC)cc1 ZINC000151909388 1036717751 /nfs/dbraw/zinc/71/77/51/1036717751.db2.gz POIITTYDGRNBJU-FQEVSTJZSA-N 0 3 321.420 3.874 20 30 DHEDHN C=CCOc1ccccc1CNCCc1nnc(C(C)C)s1 ZINC000492289380 1036816285 /nfs/dbraw/zinc/81/62/85/1036816285.db2.gz DZLQGRYIBGLDAJ-UHFFFAOYSA-N 0 3 317.458 3.559 20 30 DHEDHN CC(=O)c1ccc2c(c1)CCN(Cc1ccc(C#N)c(C)c1)CC2 ZINC000488132650 1036865490 /nfs/dbraw/zinc/86/54/90/1036865490.db2.gz VPUANGPLFXUKIG-UHFFFAOYSA-N 0 3 318.420 3.670 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000122587310 1036902220 /nfs/dbraw/zinc/90/22/20/1036902220.db2.gz CCJVSHGNEJWRJC-LJQANCHMSA-N 0 3 315.388 3.556 20 30 DHEDHN CC(C)[C@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000492630542 1036946658 /nfs/dbraw/zinc/94/66/58/1036946658.db2.gz NKNWDKIFLLBHJP-ZDUSSCGKSA-N 0 3 307.235 3.799 20 30 DHEDHN CO[C@H](c1ccccc1F)[C@@H](C)NCc1ccc(C#N)s1 ZINC000272072776 1036964416 /nfs/dbraw/zinc/96/44/16/1036964416.db2.gz PRAPMRDHEGMESN-BZNIZROVSA-N 0 3 304.390 3.625 20 30 DHEDHN Clc1ccccc1C#CCN1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001198563135 1037059256 /nfs/dbraw/zinc/05/92/56/1037059256.db2.gz IIFQLHCYXDNVKL-QZTJIDSGSA-N 0 3 317.860 3.830 20 30 DHEDHN N#Cc1sccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000597183039 1037238047 /nfs/dbraw/zinc/23/80/47/1037238047.db2.gz INYQLGZZSFUIFU-IAGOWNOFSA-N 0 3 323.465 3.545 20 30 DHEDHN COc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000194351841 1037455226 /nfs/dbraw/zinc/45/52/26/1037455226.db2.gz DMBVRFLYDJQWJT-UONOGXRCSA-N 0 3 310.397 3.987 20 30 DHEDHN N#Cc1ccc([C@H](O)CN2CCC(c3ccccc3F)CC2)cc1 ZINC000763241448 1037525905 /nfs/dbraw/zinc/52/59/05/1037525905.db2.gz LSKAFQGKUSGXKB-HXUWFJFHSA-N 0 3 324.399 3.610 20 30 DHEDHN CSc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccn1 ZINC000776164854 1037639327 /nfs/dbraw/zinc/63/93/27/1037639327.db2.gz VZVVIRNVUJXDPW-ZDUSSCGKSA-N 0 3 313.426 3.557 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(CCCC)cc1 ZINC001187749125 1037721250 /nfs/dbraw/zinc/72/12/50/1037721250.db2.gz OBSYGFWRDYARTC-SFHVURJKSA-N 0 3 315.461 3.801 20 30 DHEDHN Cc1nc(C#N)c(N=C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)o1 ZINC001201474742 1037736963 /nfs/dbraw/zinc/73/69/63/1037736963.db2.gz LLROOYHYCNOIHH-SJORKVTESA-N 0 3 320.396 3.587 20 30 DHEDHN N#Cc1csc(CNC[C@H](O)c2cc3ccccc3s2)c1 ZINC000151359245 1037864147 /nfs/dbraw/zinc/86/41/47/1037864147.db2.gz RRLPHDBMACWTJW-AWEZNQCLSA-N 0 3 314.435 3.658 20 30 DHEDHN C=CC[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000186081308 1037865666 /nfs/dbraw/zinc/86/56/66/1037865666.db2.gz CSWORMFQFOUUMO-PMACEKPBSA-N 0 3 322.452 3.765 20 30 DHEDHN CCCCCCCN1CCCn2cnc(Cn3cccc3)c2C1 ZINC001201776376 1037903647 /nfs/dbraw/zinc/90/36/47/1037903647.db2.gz DAQWACUGSQQWSQ-UHFFFAOYSA-N 0 3 314.477 3.909 20 30 DHEDHN CCCCCCCN1CCCn2cnc(COCC3CC3)c2C1 ZINC001201777242 1037904957 /nfs/dbraw/zinc/90/49/57/1037904957.db2.gz ULLUOZIGFHSYBX-UHFFFAOYSA-N 0 3 319.493 3.986 20 30 DHEDHN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2cccc(C)c2)C1(C)C ZINC000916896486 1038024921 /nfs/dbraw/zinc/02/49/21/1038024921.db2.gz INMZOXGEJJAFNT-BRWVUGGUSA-N 0 3 324.424 3.881 20 30 DHEDHN C=CCc1cc(CN(C)Cc2ccc(C#N)cc2)c(O)c(OC)c1 ZINC000163970436 1038030374 /nfs/dbraw/zinc/03/03/74/1038030374.db2.gz GANCOMOJBOSFGD-UHFFFAOYSA-N 0 3 322.408 3.633 20 30 DHEDHN CCCCSCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916910927 1038048167 /nfs/dbraw/zinc/04/81/67/1038048167.db2.gz KSVTXRQGCQAIQD-LLVKDONJSA-N 0 3 324.833 3.521 20 30 DHEDHN C=C(Br)CN[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000164513211 1038204971 /nfs/dbraw/zinc/20/49/71/1038204971.db2.gz HLDPMRIQVMDBQY-STQMWFEESA-N 0 3 302.256 3.613 20 30 DHEDHN COc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000572050730 1038321146 /nfs/dbraw/zinc/32/11/46/1038321146.db2.gz PNONWULIRXVFPA-UHFFFAOYSA-N 0 3 320.314 3.875 20 30 DHEDHN CCCOc1cccc(CNCc2cccc(OCC#N)c2)c1 ZINC000077434816 1038325135 /nfs/dbraw/zinc/32/51/35/1038325135.db2.gz LLSCSCSYAKTQMW-UHFFFAOYSA-N 0 3 310.397 3.668 20 30 DHEDHN C=CC[C@@H](C)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC001190994652 1038423584 /nfs/dbraw/zinc/42/35/84/1038423584.db2.gz JQIBWSLDPVCKSI-KDOFPFPSSA-N 0 3 308.416 3.998 20 30 DHEDHN N#Cc1cccc([C@@H](O)CN2CCC(c3ccccc3F)CC2)c1 ZINC001191099805 1038438595 /nfs/dbraw/zinc/43/85/95/1038438595.db2.gz OTFZINSHUOLFQR-FQEVSTJZSA-N 0 3 324.399 3.610 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000589272788 1038456117 /nfs/dbraw/zinc/45/61/17/1038456117.db2.gz WREADEGWAYTRJJ-QZTJIDSGSA-N 0 3 312.457 3.877 20 30 DHEDHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C[C@H](O)c1cccc(C#N)c1 ZINC001192302874 1038632047 /nfs/dbraw/zinc/63/20/47/1038632047.db2.gz NFMCGIUZPTVWEK-JZKQVHKSSA-N 0 3 324.399 3.739 20 30 DHEDHN CCCCCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000775532527 1038670783 /nfs/dbraw/zinc/67/07/83/1038670783.db2.gz XBMKSXMXNBMANK-OAHLLOKOSA-N 0 3 313.438 3.604 20 30 DHEDHN C[C@@H](C#N)OCCN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC001192627693 1038687543 /nfs/dbraw/zinc/68/75/43/1038687543.db2.gz ZVXOGKDVXAATGA-UWVGGRQHSA-N 0 3 318.751 3.521 20 30 DHEDHN C=C1CCC(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC001626116523 1038692439 /nfs/dbraw/zinc/69/24/39/1038692439.db2.gz UPUUFEHXZMCOCL-KRWDZBQOSA-N 0 3 320.864 3.805 20 30 DHEDHN CC[C@@H](NC[C@H](O)c1cccc(C#N)c1)c1cc(F)ccc1F ZINC001192688999 1038692487 /nfs/dbraw/zinc/69/24/87/1038692487.db2.gz AEMHJBYZOZSDRG-MSOLQXFVSA-N 0 3 316.351 3.611 20 30 DHEDHN C[C@H](c1ccccc1)[C@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000590712992 1038694832 /nfs/dbraw/zinc/69/48/32/1038694832.db2.gz KZEDMWCKNIFWPZ-NSISKUIASA-N 0 3 308.425 3.786 20 30 DHEDHN C[C@H](c1ccccc1)[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000590715641 1038695040 /nfs/dbraw/zinc/69/50/40/1038695040.db2.gz AEVYHJXCARQBSE-TYILLQQXSA-N 0 3 312.388 3.513 20 30 DHEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCc3c2cccc3O)cc1 ZINC000590746866 1038698325 /nfs/dbraw/zinc/69/83/25/1038698325.db2.gz YXMOYLAHPGEXNG-GOSISDBHSA-N 0 3 306.409 3.970 20 30 DHEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@@H](O)c1cccc(C#N)c1 ZINC001192758907 1038700183 /nfs/dbraw/zinc/70/01/83/1038700183.db2.gz VDSLLVYJPDAASO-DNVCBOLYSA-N 0 3 324.424 3.730 20 30 DHEDHN Cc1cc(C)cc([C@@H](O)CN[C@@H](CCC#N)c2ccccc2)c1 ZINC000775553077 1038713779 /nfs/dbraw/zinc/71/37/79/1038713779.db2.gz KWSJNRJIEGPMHB-PMACEKPBSA-N 0 3 308.425 3.972 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc2c(n1)CCC2 ZINC000590951482 1038732043 /nfs/dbraw/zinc/73/20/43/1038732043.db2.gz UZOAFBNIBVTIEN-UHFFFAOYSA-N 0 3 305.425 3.853 20 30 DHEDHN CCCCCCCC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000760823018 1038821521 /nfs/dbraw/zinc/82/15/21/1038821521.db2.gz PLRAIKIAGLRJND-MRXNPFEDSA-N 0 3 318.461 3.703 20 30 DHEDHN CCN(CC)[C@H](CNCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000591728462 1038972566 /nfs/dbraw/zinc/97/25/66/1038972566.db2.gz ICFGCELGACBXEJ-OAHLLOKOSA-N 0 3 313.367 3.592 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000599066287 1039023496 /nfs/dbraw/zinc/02/34/96/1039023496.db2.gz TXENJLFYXRGHAY-XKVFNRALSA-N 0 3 324.346 3.593 20 30 DHEDHN CN(C)Cc1ccccc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000573633594 1039029719 /nfs/dbraw/zinc/02/97/19/1039029719.db2.gz IIETUKNOPLGUSV-UHFFFAOYSA-N 0 3 313.788 3.526 20 30 DHEDHN Cc1ccc(CN(C)C[C@@H]2OCCc3ccccc32)cc1C#N ZINC000599278789 1039108592 /nfs/dbraw/zinc/10/85/92/1039108592.db2.gz HNBYVTIYBBTGMZ-FQEVSTJZSA-N 0 3 306.409 3.613 20 30 DHEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cc(Cl)ccc1Cl ZINC000599350524 1039128171 /nfs/dbraw/zinc/12/81/71/1039128171.db2.gz SYBQJVFLLGATDV-ZYHUDNBSSA-N 0 3 313.228 3.699 20 30 DHEDHN C=CCN1CCC(NC(=O)N(CCC(C)C)C2CCCC2)CC1 ZINC000592526901 1039225470 /nfs/dbraw/zinc/22/54/70/1039225470.db2.gz VIDLSSZSMJINTJ-UHFFFAOYSA-N 0 3 321.509 3.637 20 30 DHEDHN C#CCOc1ccc(CNCc2nccc3ccccc32)cc1 ZINC000172116400 1039745960 /nfs/dbraw/zinc/74/59/60/1039745960.db2.gz WUTBUAFVOOFYHU-UHFFFAOYSA-N 0 3 302.377 3.537 20 30 DHEDHN CC(C)c1ccc(C(C)(C)NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594433849 1039784732 /nfs/dbraw/zinc/78/47/32/1039784732.db2.gz ICCFLYUSKGSAFV-QGZVFWFLSA-N 0 3 315.461 3.573 20 30 DHEDHN CN1Cc2ccccc2[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594505567 1039804932 /nfs/dbraw/zinc/80/49/32/1039804932.db2.gz UUMTTYNWXARBDI-FQEVSTJZSA-N 0 3 319.452 3.764 20 30 DHEDHN N#C[C@@H]1CC[C@H](NC2(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000594519215 1039824072 /nfs/dbraw/zinc/82/40/72/1039824072.db2.gz VODAALYIUPWCLY-YPMHNXCESA-N 0 3 310.319 3.856 20 30 DHEDHN CCN(C)c1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000594520432 1039827466 /nfs/dbraw/zinc/82/74/66/1039827466.db2.gz PPSZZHRDXWRART-UHFFFAOYSA-N 0 3 320.440 3.578 20 30 DHEDHN Cc1cc([N+](=O)[O-])ccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594521402 1039831377 /nfs/dbraw/zinc/83/13/77/1039831377.db2.gz UTSQLZRHCGTZPP-UHFFFAOYSA-N 0 3 321.380 3.944 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](c2ccccc2C)C[C@H]1C ZINC000606435154 1039877097 /nfs/dbraw/zinc/87/70/97/1039877097.db2.gz LFZMYLHQBVSXNK-QZTJIDSGSA-N 0 3 314.473 3.597 20 30 DHEDHN CN(C)Cc1ccc(-c2noc(CC3(C#N)CCCCC3)n2)cc1 ZINC000594733892 1039900464 /nfs/dbraw/zinc/90/04/64/1039900464.db2.gz JNHDTCCENNYWRI-UHFFFAOYSA-N 0 3 324.428 3.815 20 30 DHEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc(C#N)cc1 ZINC000594914133 1039923600 /nfs/dbraw/zinc/92/36/00/1039923600.db2.gz DEMGRNNTMBIWNI-OAHLLOKOSA-N 0 3 301.393 3.964 20 30 DHEDHN CS[C@@H](C(=O)C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000172544516 1039929438 /nfs/dbraw/zinc/92/94/38/1039929438.db2.gz JTAVOOIYBRNTDH-TZMCWYRMSA-N 0 3 302.424 3.732 20 30 DHEDHN N#Cc1cccc(OCCN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000059374634 1039956372 /nfs/dbraw/zinc/95/63/72/1039956372.db2.gz UPUIZXMNTFSUOG-IBGZPJMESA-N 0 3 310.372 3.913 20 30 DHEDHN C=CCCSCCNCc1ccc(OC)c(OC)c1Cl ZINC000594960351 1039964728 /nfs/dbraw/zinc/96/47/28/1039964728.db2.gz ORTKJVAUHFIRKQ-UHFFFAOYSA-N 0 3 315.866 3.756 20 30 DHEDHN Cc1cc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)ccc1C#N ZINC000594990638 1040003927 /nfs/dbraw/zinc/00/39/27/1040003927.db2.gz VINKDTMOHFFSFP-PMACEKPBSA-N 0 3 308.425 3.715 20 30 DHEDHN C=CCCCCCN(C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000606902273 1040026323 /nfs/dbraw/zinc/02/63/23/1040026323.db2.gz PFYYIOWCLFTJQK-UHFFFAOYSA-N 0 3 314.473 3.860 20 30 DHEDHN Cn1ncc(C2CC2)c1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000595075361 1040070525 /nfs/dbraw/zinc/07/05/25/1040070525.db2.gz ADQAMAARSSHOHA-IBGZPJMESA-N 0 3 320.440 3.726 20 30 DHEDHN COc1cccc(SCCN(C)Cc2ccc(C#N)cc2)c1 ZINC000595288229 1040100618 /nfs/dbraw/zinc/10/06/18/1040100618.db2.gz LLVKGMFYMUDMCX-UHFFFAOYSA-N 0 3 312.438 3.791 20 30 DHEDHN CC(C)COC[C@@H](NCCc1ccc(C#N)cc1)c1ccco1 ZINC000595427185 1040136912 /nfs/dbraw/zinc/13/69/12/1040136912.db2.gz SHFKIVPDWDETQJ-GOSISDBHSA-N 0 3 312.413 3.697 20 30 DHEDHN Cc1cccc([C@@H]2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])C2)c1 ZINC000593023339 1040163594 /nfs/dbraw/zinc/16/35/94/1040163594.db2.gz QHLGREWXWYVMHT-QGZVFWFLSA-N 0 3 321.380 3.764 20 30 DHEDHN N#Cc1cccc(CN2CCC3(C=Cc4ccccc4O3)CC2)c1 ZINC000595878713 1040269493 /nfs/dbraw/zinc/26/94/93/1040269493.db2.gz NEVCMSZLHGPHKP-UHFFFAOYSA-N 0 3 316.404 3.999 20 30 DHEDHN N#Cc1ccc(-c2nnc(CN(CCC3CC3)CC3CC3)o2)cc1 ZINC000595871415 1040278785 /nfs/dbraw/zinc/27/87/85/1040278785.db2.gz MZBFZMBLYCIXCE-UHFFFAOYSA-N 0 3 322.412 3.620 20 30 DHEDHN COC[C@@H](C)Oc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000596978709 1040614557 /nfs/dbraw/zinc/61/45/57/1040614557.db2.gz AWOWLGXQOSYMMJ-MRXNPFEDSA-N 0 3 324.424 3.604 20 30 DHEDHN C=CC[N@@H+](CCc1ccco1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761215854 1040670213 /nfs/dbraw/zinc/67/02/13/1040670213.db2.gz JMCOCNUYCDQKHV-UHFFFAOYSA-N 0 3 321.804 3.878 20 30 DHEDHN C=CC[N@H+](CCc1ccco1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761215854 1040670225 /nfs/dbraw/zinc/67/02/25/1040670225.db2.gz JMCOCNUYCDQKHV-UHFFFAOYSA-N 0 3 321.804 3.878 20 30 DHEDHN CC(C)(CCC#N)CN1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000597218271 1040689696 /nfs/dbraw/zinc/68/96/96/1040689696.db2.gz ONQYECOOVVKTJE-INIZCTEOSA-N 0 3 302.418 3.763 20 30 DHEDHN C=CCN(Cc1ccc2nc[nH]c2c1)Cc1cccc(C#N)c1 ZINC000534348723 1040817616 /nfs/dbraw/zinc/81/76/16/1040817616.db2.gz BJNXYJYGMLGBOB-UHFFFAOYSA-N 0 3 302.381 3.623 20 30 DHEDHN Cc1ncc([C@H](C)N(Cc2ccc(C#N)cc2)C(C)C)c(C)n1 ZINC000602440269 1041034355 /nfs/dbraw/zinc/03/43/55/1041034355.db2.gz PMWQAMMTPAJMFH-HNNXBMFYSA-N 0 3 308.429 3.937 20 30 DHEDHN COCCN(Cc1ccc(F)cc1Cl)C[C@H](C)CCC#N ZINC000602477904 1041050447 /nfs/dbraw/zinc/05/04/47/1041050447.db2.gz YNFKILAVXRBOKA-CYBMUJFWSA-N 0 3 312.816 3.867 20 30 DHEDHN CC(C)Oc1ccccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602519445 1041064715 /nfs/dbraw/zinc/06/47/15/1041064715.db2.gz ZTWUYCZVQHKWRI-INIZCTEOSA-N 0 3 316.445 3.662 20 30 DHEDHN Cc1c2ccccc2oc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602558030 1041096081 /nfs/dbraw/zinc/09/60/81/1041096081.db2.gz PPACQRWQACDDPA-AWEZNQCLSA-N 0 3 312.413 3.930 20 30 DHEDHN CCc1ccc(-c2noc([C@H](C)NC[C@H](C)CCC#N)n2)cc1 ZINC000602643010 1041129558 /nfs/dbraw/zinc/12/95/58/1041129558.db2.gz KPTKGXWHGWICAJ-KGLIPLIRSA-N 0 3 312.417 3.889 20 30 DHEDHN CC(C)(CCC#N)CNCc1nnn(-c2ccccc2)c1C1CC1 ZINC000602661654 1041147530 /nfs/dbraw/zinc/14/75/30/1041147530.db2.gz HFJCKTRJCHEMDQ-UHFFFAOYSA-N 0 3 323.444 3.564 20 30 DHEDHN CCCOc1ccc([C@H](C)NCC2(CC#N)CC2)cc1OC ZINC000602803332 1041224783 /nfs/dbraw/zinc/22/47/83/1041224783.db2.gz WDLKRZFJMIFLHA-AWEZNQCLSA-N 0 3 302.418 3.828 20 30 DHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000602807677 1041229380 /nfs/dbraw/zinc/22/93/80/1041229380.db2.gz ZSUFXXYUQSVQMG-ZDUSSCGKSA-N 0 3 302.393 3.959 20 30 DHEDHN N#CCC1(CN[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000602918074 1041315256 /nfs/dbraw/zinc/31/52/56/1041315256.db2.gz QLSLZKYDJZQRNM-AWEZNQCLSA-N 0 3 313.228 3.700 20 30 DHEDHN Cc1ccc(F)c(CN2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000602904862 1041305081 /nfs/dbraw/zinc/30/50/81/1041305081.db2.gz AAIWCVIYICXDHU-UHFFFAOYSA-N 0 3 309.388 3.780 20 30 DHEDHN N#CCc1ccc(CN2CCC(Oc3ccccc3F)CC2)cc1 ZINC000602946131 1041321247 /nfs/dbraw/zinc/32/12/47/1041321247.db2.gz JTYCHXQMXXFEBP-UHFFFAOYSA-N 0 3 324.399 3.935 20 30 DHEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(Cl)c1Cl ZINC000598603462 1041348290 /nfs/dbraw/zinc/34/82/90/1041348290.db2.gz UCNDFXNFUFROBK-QWRGUYRKSA-N 0 3 315.244 3.945 20 30 DHEDHN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@@H](O)CC(C)(C)C#N)C2CC2)o1 ZINC000598585162 1041349246 /nfs/dbraw/zinc/34/92/46/1041349246.db2.gz VKMJASXXIDRIPU-KMFMINBZSA-N 0 3 316.445 3.668 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000598594700 1041354682 /nfs/dbraw/zinc/35/46/82/1041354682.db2.gz IDIGTHKEEDMBRQ-IAGOWNOFSA-N 0 3 304.409 3.653 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H](CCCO)c2ccccc2)cc1 ZINC000077467355 334927226 /nfs/dbraw/zinc/92/72/26/334927226.db2.gz BWTZLTJGHQHZLE-NRFANRHFSA-N 0 3 323.436 3.692 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nc4c(s3)CCCC4)CC2)C1 ZINC000425508868 334952220 /nfs/dbraw/zinc/95/22/20/334952220.db2.gz NWIOOEZPAAHRJO-UKRRQHHQSA-N 0 3 315.486 3.894 20 30 DHEDHN C=C(C)CN1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180489992 334950583 /nfs/dbraw/zinc/95/05/83/334950583.db2.gz QDXHRZVFMZRTFI-NRFANRHFSA-N 0 3 321.468 3.801 20 30 DHEDHN C=CC[C@@H](CC)N[C@@H](C)c1cc(Br)ncc1F ZINC000281685029 334987268 /nfs/dbraw/zinc/98/72/68/334987268.db2.gz RTHGVBZXVKQSCQ-VHSXEESVSA-N 0 3 301.203 3.989 20 30 DHEDHN CCN(C[C@H]1COc2ccccc2O1)[C@H](C)c1cccc(C#N)c1 ZINC000442674693 335008594 /nfs/dbraw/zinc/00/85/94/335008594.db2.gz XAVCPMSUHMCZDR-QAPCUYQASA-N 0 3 322.408 3.781 20 30 DHEDHN CCN(C[C@@H]1COc2ccccc2O1)[C@@H](C)c1cccc(C#N)c1 ZINC000442674691 335008607 /nfs/dbraw/zinc/00/86/07/335008607.db2.gz XAVCPMSUHMCZDR-MAUKXSAKSA-N 0 3 322.408 3.781 20 30 DHEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1ccccc1C ZINC000285120752 335023590 /nfs/dbraw/zinc/02/35/90/335023590.db2.gz NDEHFRLHCPNMHA-PKOBYXMFSA-N 0 3 320.436 3.546 20 30 DHEDHN C=CCC[C@H](NC1CCN(CC(F)(F)F)CC1)c1ccco1 ZINC000285503921 335026599 /nfs/dbraw/zinc/02/65/99/335026599.db2.gz AHIQYFBOFUNQCT-AWEZNQCLSA-N 0 3 316.367 3.903 20 30 DHEDHN COc1ccc(Oc2cc(CN[C@@H]3CC[C@H](C#N)C3)ccn2)cc1 ZINC000442705841 335030201 /nfs/dbraw/zinc/03/02/01/335030201.db2.gz BXBAXOBKMNNENV-GOEBONIOSA-N 0 3 323.396 3.664 20 30 DHEDHN C=CCC[C@H](NCC1(C(=O)N(C)C)CCCC1)c1ccco1 ZINC000286041425 335032077 /nfs/dbraw/zinc/03/20/77/335032077.db2.gz KODKJLQHHVOWNH-HNNXBMFYSA-N 0 3 304.434 3.525 20 30 DHEDHN Cc1cccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041555099 183202488 /nfs/dbraw/zinc/20/24/88/183202488.db2.gz YXFZEPMMEZQAFW-CYBMUJFWSA-N 0 3 304.271 3.899 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000193407758 335048591 /nfs/dbraw/zinc/04/85/91/335048591.db2.gz WGCWIHJOVDTPHH-LJQANCHMSA-N 0 3 308.425 3.724 20 30 DHEDHN C#Cc1ccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000289228009 335060860 /nfs/dbraw/zinc/06/08/60/335060860.db2.gz JZCUGBDZNTYPSU-MRXNPFEDSA-N 0 3 318.420 3.646 20 30 DHEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(N(C)C)cc1 ZINC000272202675 130007388 /nfs/dbraw/zinc/00/73/88/130007388.db2.gz JHCWBAXXPONWLH-OAHLLOKOSA-N 0 3 305.425 3.964 20 30 DHEDHN CC(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000272758873 130060799 /nfs/dbraw/zinc/06/07/99/130060799.db2.gz PRLMXDBFQLVINX-UONOGXRCSA-N 0 3 307.397 3.928 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)s1)c1ccc(OC)c(OC)c1 ZINC000285379765 131162870 /nfs/dbraw/zinc/16/28/70/131162870.db2.gz CTCKBRWEARKVAX-OAHLLOKOSA-N 0 3 316.426 3.878 20 30 DHEDHN COc1ccc(CNCc2ccc(CSC)cc2)cc1C#N ZINC000285563822 131181063 /nfs/dbraw/zinc/18/10/63/131181063.db2.gz STUXHQYKIFWUKC-UHFFFAOYSA-N 0 3 312.438 3.720 20 30 DHEDHN N#Cc1ccc(OC2CCN([C@H]3C=CCCC3)CC2)c(F)c1 ZINC000285563830 131181422 /nfs/dbraw/zinc/18/14/22/131181422.db2.gz STWOLAOPKFHBGO-HNNXBMFYSA-N 0 3 300.377 3.649 20 30 DHEDHN C[C@H](N[C@H](CCO)c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000287085362 131263243 /nfs/dbraw/zinc/26/32/43/131263243.db2.gz PAZLCZASJWAXLN-SCLBCKFNSA-N 0 3 314.816 3.986 20 30 DHEDHN CCc1ccc([C@H](O)CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000287706485 131295819 /nfs/dbraw/zinc/29/58/19/131295819.db2.gz XIXOLHBUNQPOKH-BFUOFWGJSA-N 0 3 312.388 3.644 20 30 DHEDHN CC[C@@H](COCC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1 ZINC000297433165 132014593 /nfs/dbraw/zinc/01/45/93/132014593.db2.gz VLZNYMSMIIMXBG-FZMZJTMJSA-N 0 3 300.324 3.566 20 30 DHEDHN CC[C@H](COCC(F)(F)F)N[C@H](C)c1cccc(C#N)c1 ZINC000297473705 132017324 /nfs/dbraw/zinc/01/73/24/132017324.db2.gz YTZPGADGSVHGOF-BXUZGUMPSA-N 0 3 300.324 3.566 20 30 DHEDHN C#CC[C@H](N[C@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000292073432 335087750 /nfs/dbraw/zinc/08/77/50/335087750.db2.gz HPFJEQQERPHHMB-UZLBHIALSA-N 0 3 320.436 3.804 20 30 DHEDHN CN(C)[C@@H](CNc1cc(C#N)c2ccccc2n1)c1cccs1 ZINC000522935743 434937538 /nfs/dbraw/zinc/93/75/38/434937538.db2.gz IXPMENKRDMDYNV-INIZCTEOSA-N 0 3 322.437 3.883 20 30 DHEDHN C=CC(C)(C)CCN[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000629250669 435399188 /nfs/dbraw/zinc/39/91/88/435399188.db2.gz ANXDJCXSKHFYKI-CQSZACIVSA-N 0 3 307.438 3.672 20 30 DHEDHN C=CC[C@H](C(=O)NCc1ccccc1CN(C)C)c1ccccc1 ZINC000187487540 331518794 /nfs/dbraw/zinc/51/87/94/331518794.db2.gz ZTTPZMASNRZGGN-FQEVSTJZSA-N 0 3 322.452 3.724 20 30 DHEDHN COc1ccc([C@H](Cc2ccncc2)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000518167175 331994205 /nfs/dbraw/zinc/99/42/05/331994205.db2.gz QWZFNZJDORHRCE-HQRMLTQVSA-N 0 3 321.424 3.656 20 30 DHEDHN CC(C)(C#N)CCOc1ccc(OCCN2CCCCC2)cc1 ZINC000410298045 332109456 /nfs/dbraw/zinc/10/94/56/332109456.db2.gz DOXRKNKQUHAVKX-UHFFFAOYSA-N 0 3 316.445 3.870 20 30 DHEDHN C=CCN1CC[C@@H](N(CCCC)[C@@H](C)c2ccccc2)C1=O ZINC000410340025 332113124 /nfs/dbraw/zinc/11/31/24/332113124.db2.gz VXCWAMWEJZJBCJ-FUHWJXTLSA-N 0 3 300.446 3.637 20 30 DHEDHN C=C1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000518678015 332125345 /nfs/dbraw/zinc/12/53/45/332125345.db2.gz GSVBDUAMNRELML-KRWDZBQOSA-N 0 3 320.436 3.807 20 30 DHEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1cccc(O)c1 ZINC000105461748 332252255 /nfs/dbraw/zinc/25/22/55/332252255.db2.gz ABTCQVPGMSWBBU-OAHLLOKOSA-N 0 3 309.413 3.593 20 30 DHEDHN CCc1nc2c(s1)[C@@H](N(C)CCCSCC#N)CCC2 ZINC000152497227 332301356 /nfs/dbraw/zinc/30/13/56/332301356.db2.gz JTHWYAVTRDQFEG-ZDUSSCGKSA-N 0 3 309.504 3.662 20 30 DHEDHN COc1cc(CNCc2cccc(OCCCC#N)c2)ccc1C ZINC000237117715 332310693 /nfs/dbraw/zinc/31/06/93/332310693.db2.gz GGNDVBKXQVWCBG-UHFFFAOYSA-N 0 3 324.424 3.976 20 30 DHEDHN C=CCCCCN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000560186373 332317637 /nfs/dbraw/zinc/31/76/37/332317637.db2.gz ZSFBYECILZDYLN-UHFFFAOYSA-N 0 3 320.864 3.844 20 30 DHEDHN C=CCC[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccco1 ZINC000560536035 332354253 /nfs/dbraw/zinc/35/42/53/332354253.db2.gz HLXVFNHKHXLSQR-IRXDYDNUSA-N 0 3 303.377 3.619 20 30 DHEDHN CCOc1ccc(O)c(CN[C@H](CCC#N)c2ccccc2)c1 ZINC000130468686 332538461 /nfs/dbraw/zinc/53/84/61/332538461.db2.gz MMOHCGSZCJYNKE-GOSISDBHSA-N 0 3 310.397 3.926 20 30 DHEDHN N#CCC1(CN[C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000430733590 335114479 /nfs/dbraw/zinc/11/44/79/335114479.db2.gz GENIBUGFLCPEGJ-CQSZACIVSA-N 0 3 323.209 3.859 20 30 DHEDHN N#Cc1ccc(N2CCN(C3CCCC3)CC2)cc1C(F)(F)F ZINC000109870017 333021643 /nfs/dbraw/zinc/02/16/43/333021643.db2.gz ZAZRJDWWEJQSAT-UHFFFAOYSA-N 0 3 323.362 3.642 20 30 DHEDHN C=CCCCCCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294018044 335116708 /nfs/dbraw/zinc/11/67/08/335116708.db2.gz DRJNOPRKFIWLMA-MRXNPFEDSA-N 0 3 302.397 3.759 20 30 DHEDHN Cn1nc(-c2ccccc2)c(CNCCCCC#N)c1Cl ZINC000172064803 333058173 /nfs/dbraw/zinc/05/81/73/333058173.db2.gz OOJKVJCWRYCOOD-UHFFFAOYSA-N 0 3 302.809 3.524 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@@H](CC)C2CCC(C)CC2)CC1 ZINC000460998696 333091971 /nfs/dbraw/zinc/09/19/71/333091971.db2.gz GIFCKSAVQVRLFP-HTWSVDAQSA-N 0 3 306.494 3.606 20 30 DHEDHN CC(C#N)C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000462039904 333111804 /nfs/dbraw/zinc/11/18/04/333111804.db2.gz PLJVKWGLMVDGKS-FZKQIMNGSA-N 0 3 304.349 3.798 20 30 DHEDHN C=CCOc1ccc(CN(C(C)C)[C@@H]2CCOC2)cc1Cl ZINC000462879445 333128859 /nfs/dbraw/zinc/12/88/59/333128859.db2.gz XOHGYIJBYJFZBM-OAHLLOKOSA-N 0 3 309.837 3.904 20 30 DHEDHN Cc1c([C@@H](C)NCCCCC#N)nnn1-c1ccc(Cl)cc1 ZINC000178646083 333141885 /nfs/dbraw/zinc/14/18/85/333141885.db2.gz LJYZGBZDUZMEQE-GFCCVEGCSA-N 0 3 317.824 3.574 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000179708087 333154804 /nfs/dbraw/zinc/15/48/04/333154804.db2.gz FEVGRGQOWQCXSJ-HXUWFJFHSA-N 0 3 322.456 3.712 20 30 DHEDHN COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(OCC#N)cc1 ZINC000180550505 333163191 /nfs/dbraw/zinc/16/31/91/333163191.db2.gz PVXJJSZGGOMRDS-FQEVSTJZSA-N 0 3 322.408 3.765 20 30 DHEDHN CCN(C)c1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1 ZINC000180558540 333163241 /nfs/dbraw/zinc/16/32/41/333163241.db2.gz AHELLOGXUNWHFO-INIZCTEOSA-N 0 3 323.440 3.896 20 30 DHEDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(OCC#N)cc1)[C@H](C)C2 ZINC000180848606 333165636 /nfs/dbraw/zinc/16/56/36/333165636.db2.gz YKLXNASTGSDUIQ-QRWLVFNGSA-N 0 3 306.409 3.921 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000185766512 333213776 /nfs/dbraw/zinc/21/37/76/333213776.db2.gz TYZRVXLRVMBAMP-UONOGXRCSA-N 0 3 312.335 3.800 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000185769658 333213860 /nfs/dbraw/zinc/21/38/60/333213860.db2.gz QPVQXRHDDODQPM-YOEHRIQHSA-N 0 3 311.429 3.597 20 30 DHEDHN CN(c1cccc(F)c1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388159282 333215337 /nfs/dbraw/zinc/21/53/37/333215337.db2.gz ICOYCSSJXSREFW-QGZVFWFLSA-N 0 3 323.415 3.798 20 30 DHEDHN CN(CCCCC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000364108201 333239621 /nfs/dbraw/zinc/23/96/21/333239621.db2.gz AFHBGJWMAXCORV-AWEZNQCLSA-N 0 3 323.234 3.898 20 30 DHEDHN C=CCN1CC[C@H](N[C@H](c2ccc(Cl)cc2)C2CCC2)C1=O ZINC000499604395 333286688 /nfs/dbraw/zinc/28/66/88/333286688.db2.gz VTXBTJWVNIPING-IRXDYDNUSA-N 0 3 318.848 3.558 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000192684003 333291238 /nfs/dbraw/zinc/29/12/38/333291238.db2.gz FKNNXGCCLLJIIE-AEFFLSMTSA-N 0 3 312.461 3.634 20 30 DHEDHN CCOc1c(Cl)cc(CN[C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000192701527 333291859 /nfs/dbraw/zinc/29/18/59/333291859.db2.gz MSEQEKKSJKMBHN-GXTWGEPZSA-N 0 3 322.836 3.919 20 30 DHEDHN N#CCOc1ccc(CN[C@H]2CCCNc3ccccc32)cc1 ZINC000192981926 333296734 /nfs/dbraw/zinc/29/67/34/333296734.db2.gz ZNAQOVMFLYJBPO-IBGZPJMESA-N 0 3 307.397 3.626 20 30 DHEDHN C=CCOc1ccccc1CNC[C@@H](C)N(C)Cc1ccccc1 ZINC000390575492 333302938 /nfs/dbraw/zinc/30/29/38/333302938.db2.gz DCEVRDMKCYRXMB-GOSISDBHSA-N 0 3 324.468 3.862 20 30 DHEDHN CN(C)[C@@H](CNCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000540628827 333337382 /nfs/dbraw/zinc/33/73/82/333337382.db2.gz AJBDRJXRMFAIFP-INIZCTEOSA-N 0 3 319.861 3.666 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000185556270 335139229 /nfs/dbraw/zinc/13/92/29/335139229.db2.gz KKEQLVVXHATIKV-KRWDZBQOSA-N 0 3 314.473 3.712 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000124115528 333486551 /nfs/dbraw/zinc/48/65/51/333486551.db2.gz KNYPBHGJLXXDBR-KGLIPLIRSA-N 0 3 307.397 3.928 20 30 DHEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(F)cc1Br ZINC000320328503 333515939 /nfs/dbraw/zinc/51/59/39/333515939.db2.gz YODFRFYQXXVPPU-PWSUYJOCSA-N 0 3 316.214 3.566 20 30 DHEDHN CCc1ccc([C@@H](CO)NCCC2(C#N)CCCCC2)cc1 ZINC000411505458 333683923 /nfs/dbraw/zinc/68/39/23/333683923.db2.gz GHJWJPPLFFPFRS-GOSISDBHSA-N 0 3 300.446 3.736 20 30 DHEDHN C=CCCN(C)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000343438682 335164822 /nfs/dbraw/zinc/16/48/22/335164822.db2.gz GAPSZZTVSMYGIW-UHFFFAOYSA-N 0 3 303.324 3.644 20 30 DHEDHN CC[C@H](C)CN(C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343446963 335165256 /nfs/dbraw/zinc/16/52/56/335165256.db2.gz HXTHPPXOPLANIR-NWDGAFQWSA-N 0 3 307.825 3.517 20 30 DHEDHN COc1ccc(C[C@@H](C)N[C@@H](CCC#N)c2ccccc2)cn1 ZINC000414104202 333896979 /nfs/dbraw/zinc/89/69/79/333896979.db2.gz OEZBVAPCSHEWGJ-QAPCUYQASA-N 0 3 309.413 3.656 20 30 DHEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(-n2cncn2)cc1Cl ZINC000414169130 333907040 /nfs/dbraw/zinc/90/70/40/333907040.db2.gz RMKWJFKBCFTTJY-LBPRGKRZSA-N 0 3 317.824 3.511 20 30 DHEDHN Cc1ccc(C)n1C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000264562370 333957984 /nfs/dbraw/zinc/95/79/84/333957984.db2.gz OUDWZAUECMTXPD-UHFFFAOYSA-N 0 3 323.440 3.844 20 30 DHEDHN CC(C)OCC(C)(C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000414551665 334015818 /nfs/dbraw/zinc/01/58/18/334015818.db2.gz PCDXAYRJIVRRFN-UHFFFAOYSA-N 0 3 314.351 3.870 20 30 DHEDHN CC(C)(CCC#N)CN1CCN(c2ccc3ccccc3n2)CC1 ZINC000271131598 334019030 /nfs/dbraw/zinc/01/90/30/334019030.db2.gz OQWZFJWZJPVXGA-UHFFFAOYSA-N 0 3 322.456 3.687 20 30 DHEDHN CC[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000271733111 334026153 /nfs/dbraw/zinc/02/61/53/334026153.db2.gz YZRWLCJDAIYVCL-LJQANCHMSA-N 0 3 321.424 3.674 20 30 DHEDHN C[C@H](N[C@@H](CCCO)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271913197 334028628 /nfs/dbraw/zinc/02/86/28/334028628.db2.gz BOCLQCUWONWQNO-LIRRHRJNSA-N 0 3 312.388 3.862 20 30 DHEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000272073459 334030399 /nfs/dbraw/zinc/03/03/99/334030399.db2.gz VMVVBSAYPPPAFV-UHFFFAOYSA-N 0 3 319.408 3.556 20 30 DHEDHN COc1ccc(C[C@H](NCCCC#N)c2ccc(OC)cc2)cc1 ZINC000272538992 334036915 /nfs/dbraw/zinc/03/69/15/334036915.db2.gz OPNJHVCAMPJOFV-FQEVSTJZSA-N 0 3 324.424 3.881 20 30 DHEDHN Cc1ccnc(OC2CCN(CC(C)(C)CCC#N)CC2)c1 ZINC000272809557 334040108 /nfs/dbraw/zinc/04/01/08/334040108.db2.gz AJRXNUOBBBTVCE-UHFFFAOYSA-N 0 3 301.434 3.563 20 30 DHEDHN N#CCCCN[C@H]1CCSc2ccc(Br)cc21 ZINC000273252468 334044779 /nfs/dbraw/zinc/04/47/79/334044779.db2.gz LFINADJSKMNOIV-LBPRGKRZSA-N 0 3 311.248 3.879 20 30 DHEDHN COc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1Br ZINC000274635276 334064292 /nfs/dbraw/zinc/06/42/92/334064292.db2.gz PTGZFTNUGGFOJH-LOWVWBTDSA-N 0 3 323.234 3.801 20 30 DHEDHN N#Cc1ccc2ncc(CNCc3csc4ccccc34)n2c1 ZINC000343599980 335176022 /nfs/dbraw/zinc/17/60/22/335176022.db2.gz IYXYYVRKDMCBJG-UHFFFAOYSA-N 0 3 318.405 3.710 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCN(Cc3cccc4ccccc43)CC2)C1 ZINC000278753019 334100671 /nfs/dbraw/zinc/10/06/71/334100671.db2.gz XEWIXJWZELDGCG-YLJYHZDGSA-N 0 3 319.452 3.650 20 30 DHEDHN Cc1ccc([C@H](NCCCSCC#N)c2ccccn2)cc1 ZINC000279251841 334107125 /nfs/dbraw/zinc/10/71/25/334107125.db2.gz ADXNLDZZYGMIIN-SFHVURJKSA-N 0 3 311.454 3.716 20 30 DHEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280445518 334117452 /nfs/dbraw/zinc/11/74/52/334117452.db2.gz NGIBGNLLBGAQLN-OLMNPRSZSA-N 0 3 323.440 3.572 20 30 DHEDHN COCC[C@@H](NCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000284919335 334144916 /nfs/dbraw/zinc/14/49/16/334144916.db2.gz VRXHYDFXBRROOI-CQSZACIVSA-N 0 3 301.217 3.964 20 30 DHEDHN CC(C)(C#N)CCCN1CCN(c2ccnc3ccccc32)CC1 ZINC000289454235 334165514 /nfs/dbraw/zinc/16/55/14/334165514.db2.gz XOIIDYYKMVBGKO-UHFFFAOYSA-N 0 3 322.456 3.687 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000289666724 334167096 /nfs/dbraw/zinc/16/70/96/334167096.db2.gz DDSAGHQAFCEIEV-HXUWFJFHSA-N 0 3 320.440 3.769 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CCCc3occc3C2)cc1 ZINC000290052404 334170798 /nfs/dbraw/zinc/17/07/98/334170798.db2.gz DREVFVBPRZHZSC-UHFFFAOYSA-N 0 3 309.413 3.578 20 30 DHEDHN CCCN(C)[C@@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000291960716 334183468 /nfs/dbraw/zinc/18/34/68/334183468.db2.gz RKWLKHLOWLSRMG-INIZCTEOSA-N 0 3 321.852 3.533 20 30 DHEDHN COc1ccc2[nH]cc(C3=CCN([C@H]4CC[C@@H](C#N)C4)CC3)c2c1 ZINC000292787612 334192358 /nfs/dbraw/zinc/19/23/58/334192358.db2.gz LDNNEYRGTVFDGB-ZBFHGGJFSA-N 0 3 321.424 3.958 20 30 DHEDHN Cn1ncc2c1CCC[C@@H]2N[C@@H](CCCC#N)c1ccccc1 ZINC000340444788 334203713 /nfs/dbraw/zinc/20/37/13/334203713.db2.gz JPLAVDMUWBVNFE-ROUUACIJSA-N 0 3 308.429 3.822 20 30 DHEDHN C=CCOc1cccc(CNCc2ccc3c(c2)CCCN3)c1 ZINC000414969382 334215704 /nfs/dbraw/zinc/21/57/04/334215704.db2.gz FGVTZJBVIOWRNL-UHFFFAOYSA-N 0 3 308.425 3.899 20 30 DHEDHN Cc1ccc(CN[C@H]2CC[C@@H](CC#N)C2)c(Br)c1 ZINC000295062882 334216530 /nfs/dbraw/zinc/21/65/30/334216530.db2.gz OOFLEMJBHKVEKI-JSGCOSHPSA-N 0 3 307.235 3.930 20 30 DHEDHN CC[C@@H]1CCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000295590677 334225563 /nfs/dbraw/zinc/22/55/63/334225563.db2.gz DGWZPCLKRZYIRW-QRVBRYPASA-N 0 3 323.440 3.573 20 30 DHEDHN CO[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)CC1(C)C ZINC000295857903 334228011 /nfs/dbraw/zinc/22/80/11/334228011.db2.gz DYBCGHYXZKDMRW-QGZVFWFLSA-N 0 3 300.446 3.735 20 30 DHEDHN CCOc1ccc([C@@H](O)C2CCN([C@H](C)CCC#N)CC2)cc1 ZINC000298037752 334245755 /nfs/dbraw/zinc/24/57/55/334245755.db2.gz CWXAASOMNHLKIW-DNVCBOLYSA-N 0 3 316.445 3.523 20 30 DHEDHN COc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1Br ZINC000299714787 334257595 /nfs/dbraw/zinc/25/75/95/334257595.db2.gz RCRTTWCJZSNYBH-WDEREUQCSA-N 0 3 311.223 3.801 20 30 DHEDHN C=CCN1CC[C@H](N(C)[C@@H](C)c2cccc3ccccc32)C1=O ZINC000531949942 334303827 /nfs/dbraw/zinc/30/38/27/334303827.db2.gz VVTCTXAHLBWEMW-KXBFYZLASA-N 0 3 308.425 3.620 20 30 DHEDHN C[C@H]1[C@@H](Nc2c(C#N)cccc2C#N)CCN1Cc1ccccc1 ZINC000340813752 334387270 /nfs/dbraw/zinc/38/72/70/334387270.db2.gz DUMULOFHKBSULB-KXBFYZLASA-N 0 3 316.408 3.505 20 30 DHEDHN CC1CCN([C@@H](CNc2cc(C#N)ccn2)c2ccccc2)CC1 ZINC000341602767 334461078 /nfs/dbraw/zinc/46/10/78/334461078.db2.gz XYXVLPLAJDRPEC-IBGZPJMESA-N 0 3 320.440 3.838 20 30 DHEDHN C=CC[C@H](C)N[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000342439377 334541471 /nfs/dbraw/zinc/54/14/71/334541471.db2.gz YUUUAEYEESKTQM-QFBILLFUSA-N 0 3 308.425 3.598 20 30 DHEDHN CC[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(C)cc1 ZINC000342730055 334569594 /nfs/dbraw/zinc/56/95/94/334569594.db2.gz PHRBAHQXPZUVAN-SFHVURJKSA-N 0 3 304.397 3.755 20 30 DHEDHN COCC1(C#N)CCN(Cc2ccc(OC)c3ccccc23)CC1 ZINC000342837969 334586380 /nfs/dbraw/zinc/58/63/80/334586380.db2.gz NRKAYPDHRSLVKZ-UHFFFAOYSA-N 0 3 324.424 3.601 20 30 DHEDHN Cc1cc(CNC[C@H](c2ccco2)N2CCCCC2)ccc1C#N ZINC000443961278 338464451 /nfs/dbraw/zinc/46/44/51/338464451.db2.gz HOUPOPWOHABQKY-LJQANCHMSA-N 0 3 323.440 3.777 20 30 DHEDHN Cc1cc(CN[C@H](C)COc2ccc(F)cc2F)ccc1C#N ZINC000443974156 338464965 /nfs/dbraw/zinc/46/49/65/338464965.db2.gz SCAZPHKXDZOESC-CYBMUJFWSA-N 0 3 316.351 3.702 20 30 DHEDHN COC(=O)c1ccc(-c2ccc(CN[C@@H]3CC[C@H](C#N)C3)o2)cc1 ZINC000425356675 334837202 /nfs/dbraw/zinc/83/72/02/334837202.db2.gz QLBVXMLXSMWQPU-XJKSGUPXSA-N 0 3 324.380 3.515 20 30 DHEDHN CC[C@H](C)CN(CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343708752 335189687 /nfs/dbraw/zinc/18/96/87/335189687.db2.gz LIKBFSFESXDMMD-DLBZAZTESA-N 0 3 315.461 3.690 20 30 DHEDHN C[C@H](CCO)N(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000343770615 335191777 /nfs/dbraw/zinc/19/17/77/335191777.db2.gz QPVCTRKKOVZMGK-QGZVFWFLSA-N 0 3 308.425 3.526 20 30 DHEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000343824960 335195603 /nfs/dbraw/zinc/19/56/03/335195603.db2.gz QAOQOLRDPGBINY-SFHVURJKSA-N 0 3 309.369 3.902 20 30 DHEDHN CC[C@H](N[C@H]1COc2ccc(F)cc2C1)c1ccc(C#N)cc1 ZINC000343924281 335202362 /nfs/dbraw/zinc/20/23/62/335202362.db2.gz HLJSRRJHRKVREW-MSOLQXFVSA-N 0 3 310.372 3.742 20 30 DHEDHN Cc1ccc(-n2cc(CNCCCC#N)c(C(C)(C)C)n2)cc1 ZINC000344368148 335245050 /nfs/dbraw/zinc/24/50/50/335245050.db2.gz VJBAYKFFQFJILT-UHFFFAOYSA-N 0 3 310.445 3.872 20 30 DHEDHN C=CCOc1ccccc1CN(C)C[C@@H](C)c1nccs1 ZINC000346283100 335392223 /nfs/dbraw/zinc/39/22/23/335392223.db2.gz WYSRAOBBFCZLLC-CQSZACIVSA-N 0 3 302.443 3.943 20 30 DHEDHN Cc1ccc([C@@H](CNc2nc(C)ccc2C#N)N2CCCC2)cc1 ZINC000346818749 335443538 /nfs/dbraw/zinc/44/35/38/335443538.db2.gz DJZVGYAZIKBJGY-LJQANCHMSA-N 0 3 320.440 3.819 20 30 DHEDHN COCC[C@H](Cc1ccco1)N[C@H](C)c1ccc(C#N)cc1F ZINC000346819652 335443565 /nfs/dbraw/zinc/44/35/65/335443565.db2.gz XIQLCZHOHYZJGB-UKRRQHHQSA-N 0 3 316.376 3.589 20 30 DHEDHN C=CCOCCCN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000347968940 335537788 /nfs/dbraw/zinc/53/77/88/335537788.db2.gz RTHMIJFNNXLTNJ-UHFFFAOYSA-N 0 3 303.446 3.739 20 30 DHEDHN Cc1ccc(CN2CCSCC2)cc1N[C@H]1CC[C@@H](C#N)C1 ZINC000442864548 335644388 /nfs/dbraw/zinc/64/43/88/335644388.db2.gz GGSIRWSPTROQOT-WBVHZDCISA-N 0 3 315.486 3.648 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000349853288 335704153 /nfs/dbraw/zinc/70/41/53/335704153.db2.gz RPJPDNJHMFINHS-SJORKVTESA-N 0 3 316.408 3.807 20 30 DHEDHN Cc1nc(C2CC2)oc1C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000329795330 336082747 /nfs/dbraw/zinc/08/27/47/336082747.db2.gz WHQXFOWOLCXGOD-FRRDWIJNSA-N 0 3 319.449 3.531 20 30 DHEDHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000329837244 336088201 /nfs/dbraw/zinc/08/82/01/336088201.db2.gz VJOWDNKDYFOCOU-SOLBZPMBSA-N 0 3 324.428 3.753 20 30 DHEDHN Cc1nc(CC(C)C)oc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000330021555 336106753 /nfs/dbraw/zinc/10/67/53/336106753.db2.gz XZXHFKHKYLDTGI-GOOCMWNKSA-N 0 3 319.449 3.501 20 30 DHEDHN N#Cc1ccc(C2=CCN(CC[C@@H](O)c3ccccc3)CC2)cc1 ZINC000367132676 336124612 /nfs/dbraw/zinc/12/46/12/336124612.db2.gz FFIYGAYITVUUOF-OAQYLSRUSA-N 0 3 318.420 3.771 20 30 DHEDHN CC(C)(C)c1ccccc1NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000330257131 336130352 /nfs/dbraw/zinc/13/03/52/336130352.db2.gz LFEOEELVUGTSMW-SJLPKXTDSA-N 0 3 316.445 3.729 20 30 DHEDHN C[C@H]1CCCC[C@@H]1N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332622443 336176807 /nfs/dbraw/zinc/17/68/07/336176807.db2.gz COXKZNUZJIMOLJ-BBRMVZONSA-N 0 3 310.401 3.619 20 30 DHEDHN C=CCSCCNCc1ccc(Sc2ccccn2)o1 ZINC000352448637 336219689 /nfs/dbraw/zinc/21/96/89/336219689.db2.gz IVLSHQDTKBTCRR-UHFFFAOYSA-N 0 3 306.456 3.835 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1ccc(-n2ccnc2)cc1 ZINC000352702148 336231404 /nfs/dbraw/zinc/23/14/04/336231404.db2.gz SBEDBMKFWOBVET-UHFFFAOYSA-N 0 3 307.397 3.696 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000532414912 336245605 /nfs/dbraw/zinc/24/56/05/336245605.db2.gz QSBNTNAOHFAXPH-MRXNPFEDSA-N 0 3 308.491 3.850 20 30 DHEDHN C=CC1CCN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000532414848 336245620 /nfs/dbraw/zinc/24/56/20/336245620.db2.gz LZINPFFATMREEC-AWEZNQCLSA-N 0 3 320.864 3.757 20 30 DHEDHN C[C@@H](N(C)CC(=O)Nc1ccccc1SCC#N)C(C)(C)C ZINC000532489696 336250277 /nfs/dbraw/zinc/25/02/77/336250277.db2.gz PEBPUSFOAQEHDK-CYBMUJFWSA-N 0 3 319.474 3.607 20 30 DHEDHN N#Cc1csc(CNCCC23CC4CC(CC(C4)C2)C3)n1 ZINC000352832648 336270252 /nfs/dbraw/zinc/27/02/52/336270252.db2.gz FSYNCLOYFTWXTR-UHFFFAOYSA-N 0 3 301.459 3.711 20 30 DHEDHN N#Cc1ccc(CNCCc2ccsc2)c(C(F)(F)F)c1 ZINC000352842936 336275590 /nfs/dbraw/zinc/27/55/90/336275590.db2.gz PODRTVNAELDAGH-UHFFFAOYSA-N 0 3 310.344 3.971 20 30 DHEDHN C=C(C)[C@H](NCCC(C)(C)C(=O)OC)c1ccc(F)c(F)c1 ZINC000526984587 336277427 /nfs/dbraw/zinc/27/74/27/336277427.db2.gz MUQIANMEWXDQIF-HNNXBMFYSA-N 0 3 311.372 3.761 20 30 DHEDHN CC1(C)CC[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000352860279 336282079 /nfs/dbraw/zinc/28/20/79/336282079.db2.gz AFVSOZKOUBWJMP-CYBMUJFWSA-N 0 3 312.335 3.624 20 30 DHEDHN N#Cc1c(F)cccc1NCCCN1CCc2ccccc2C1 ZINC000301067080 336288205 /nfs/dbraw/zinc/28/82/05/336288205.db2.gz DIACDUUOHHSGJM-UHFFFAOYSA-N 0 3 309.388 3.558 20 30 DHEDHN N#Cc1c(F)cccc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000301069522 336288297 /nfs/dbraw/zinc/28/82/97/336288297.db2.gz SNOBSIUGUNNPRP-LJQANCHMSA-N 0 3 309.388 3.946 20 30 DHEDHN C[C@H](c1ccccc1)N1CCC(Nc2cccc(C#N)n2)CC1 ZINC000301293597 336299210 /nfs/dbraw/zinc/29/92/10/336299210.db2.gz WCZSWJMMNDAKIP-OAHLLOKOSA-N 0 3 306.413 3.591 20 30 DHEDHN C[C@@H](c1ccccc1)N1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000301311138 336300214 /nfs/dbraw/zinc/30/02/14/336300214.db2.gz FXYBECZKLKVSMS-HNNXBMFYSA-N 0 3 306.413 3.591 20 30 DHEDHN C[C@@H]1CN(CCCCNc2c(Cl)cccc2C#N)C[C@@H](C)O1 ZINC000301727043 336325995 /nfs/dbraw/zinc/32/59/95/336325995.db2.gz QMEZBNXKKSHAAV-ZIAGYGMSSA-N 0 3 321.852 3.513 20 30 DHEDHN C[C@@H]1C[C@@H](Nc2c(C#N)cccc2C#N)CN1Cc1ccccc1 ZINC000302898411 336373668 /nfs/dbraw/zinc/37/36/68/336373668.db2.gz RTCGRLZDLMZRRC-DNVCBOLYSA-N 0 3 316.408 3.505 20 30 DHEDHN C=CCOc1ccc(CNCc2c[nH]nc2-c2ccc(C)o2)cc1 ZINC000352914487 336376821 /nfs/dbraw/zinc/37/68/21/336376821.db2.gz LQUWXMMDLQGSEE-UHFFFAOYSA-N 0 3 323.396 3.833 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1ccc(OCC)c(OC)c1 ZINC000352934045 336378117 /nfs/dbraw/zinc/37/81/17/336378117.db2.gz UDEWIIDRUIMWIA-UHFFFAOYSA-N 0 3 315.413 3.918 20 30 DHEDHN N#Cc1ccc(OC2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000353032510 336383943 /nfs/dbraw/zinc/38/39/43/336383943.db2.gz WXKSJCHTZXTPME-UHFFFAOYSA-N 0 3 310.372 3.741 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](NC[C@H](c1ccco1)N1CCCC1)CC2 ZINC000353428271 336417339 /nfs/dbraw/zinc/41/73/39/336417339.db2.gz QXOOQFCJYOLHPN-RTBURBONSA-N 0 3 321.424 3.565 20 30 DHEDHN C=CCOc1ccc(CNCc2ccnc(SC)c2)cc1 ZINC000357365622 336582488 /nfs/dbraw/zinc/58/24/88/336582488.db2.gz LGPIDBNJNWOBIN-UHFFFAOYSA-N 0 3 300.427 3.658 20 30 DHEDHN C=CCn1c(C)cc(C(=O)CSCCN(CC)CC)c1C ZINC000359716194 336684865 /nfs/dbraw/zinc/68/48/65/336684865.db2.gz DGLMAIQNULCICD-UHFFFAOYSA-N 0 3 308.491 3.549 20 30 DHEDHN N#Cc1c(F)ccc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1Cl ZINC000367688865 336827995 /nfs/dbraw/zinc/82/79/95/336827995.db2.gz TWMTXEYFMYLHNC-RPVQJOFSSA-N 0 3 312.775 3.779 20 30 DHEDHN C#Cc1ccc(CN[C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000368014499 336834580 /nfs/dbraw/zinc/83/45/80/336834580.db2.gz GHQGTQWFMUZOPN-MRXNPFEDSA-N 0 3 301.393 3.704 20 30 DHEDHN COc1cc(CN2CCCC2)ccc1OCc1cccc(C#N)c1 ZINC000116876493 336847779 /nfs/dbraw/zinc/84/77/79/336847779.db2.gz ABKSEBVXQMVSFR-UHFFFAOYSA-N 0 3 322.408 3.742 20 30 DHEDHN CCN(C)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418136142 336897016 /nfs/dbraw/zinc/89/70/16/336897016.db2.gz ABWCNHZRIGZKDH-LJQANCHMSA-N 0 3 320.440 3.577 20 30 DHEDHN N#Cc1ccc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000304019954 336982179 /nfs/dbraw/zinc/98/21/79/336982179.db2.gz XURBWXDKRFQZAQ-FQEVSTJZSA-N 0 3 324.399 3.643 20 30 DHEDHN CCCn1nccc1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000374287714 336986090 /nfs/dbraw/zinc/98/60/90/336986090.db2.gz MKSHNEGMYRLDCJ-UHFFFAOYSA-N 0 3 308.429 3.544 20 30 DHEDHN CCN1CC[C@@H](NCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000374830948 336997781 /nfs/dbraw/zinc/99/77/81/336997781.db2.gz VCEHNSJMLBXBBM-HZPDHXFCSA-N 0 3 309.816 3.508 20 30 DHEDHN Cc1noc(C)c1CO[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000375718454 337017666 /nfs/dbraw/zinc/01/76/66/337017666.db2.gz KJXYQVOTGYVDNM-MRXNPFEDSA-N 0 3 319.449 3.602 20 30 DHEDHN CC(C)(CCC#N)CN1CCCN(c2ccccc2F)CC1 ZINC000377691264 337058487 /nfs/dbraw/zinc/05/84/87/337058487.db2.gz FHUPMUQCBQBFHI-UHFFFAOYSA-N 0 3 303.425 3.668 20 30 DHEDHN N#Cc1ccc(CNC2CCN(c3cccc(F)c3)CC2)s1 ZINC000377983539 337064761 /nfs/dbraw/zinc/06/47/61/337064761.db2.gz AZPPGEGOEIESJP-UHFFFAOYSA-N 0 3 315.417 3.517 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3Cl)C2)s1 ZINC000378011296 337065107 /nfs/dbraw/zinc/06/51/07/337065107.db2.gz UHENOHOOMGLQMH-LBPRGKRZSA-N 0 3 317.845 3.642 20 30 DHEDHN C=CCOc1cccc(CN2CCC(n3cc(C)cn3)CC2)c1 ZINC000378350733 337070742 /nfs/dbraw/zinc/07/07/42/337070742.db2.gz UFXMOODAHOVACB-UHFFFAOYSA-N 0 3 311.429 3.593 20 30 DHEDHN C=CCN1CCC(NC(=O)C[C@H](c2ccccc2)C(C)C)CC1 ZINC000171715091 337088573 /nfs/dbraw/zinc/08/85/73/337088573.db2.gz PNCVGEVUYLYUER-IBGZPJMESA-N 0 3 314.473 3.583 20 30 DHEDHN C=CCOCCNC1(c2cccc(Br)c2)CCC1 ZINC000583706759 337092754 /nfs/dbraw/zinc/09/27/54/337092754.db2.gz UEOAPYJSWLGHMT-UHFFFAOYSA-N 0 3 310.235 3.621 20 30 DHEDHN C[C@@H](CN(Cc1cc(C#N)cs1)[C@@H](C)CO)c1ccccc1 ZINC000582718700 337124626 /nfs/dbraw/zinc/12/46/26/337124626.db2.gz ZGBASNRAQQEJGB-GJZGRUSLSA-N 0 3 314.454 3.606 20 30 DHEDHN N#C[C@@H]1CC[C@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000582719049 337124691 /nfs/dbraw/zinc/12/46/91/337124691.db2.gz QURPCWTWHDJUEY-VKJFTORMSA-N 0 3 317.864 3.759 20 30 DHEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418342721 337150740 /nfs/dbraw/zinc/15/07/40/337150740.db2.gz FHZVGBURBJLJKE-ZWKOTPCHSA-N 0 3 315.461 3.560 20 30 DHEDHN N#CC(=C([O-])c1cc(Cl)ccc1OC(F)F)c1ccccn1 ZINC000176526490 337151993 /nfs/dbraw/zinc/15/19/93/337151993.db2.gz YORICFOFKGLWSC-LLVKDONJSA-N 0 3 322.698 3.826 20 30 DHEDHN N#CC(C(=O)c1cc(Cl)ccc1OC(F)F)c1ccccn1 ZINC000176526490 337151994 /nfs/dbraw/zinc/15/19/94/337151994.db2.gz YORICFOFKGLWSC-LLVKDONJSA-N 0 3 322.698 3.826 20 30 DHEDHN Cn1cccc1[C@@H]1CCCN1CCCOc1cccc(C#N)c1 ZINC000177691043 337158538 /nfs/dbraw/zinc/15/85/38/337158538.db2.gz BAKGOEAEFXTTTQ-IBGZPJMESA-N 0 3 309.413 3.503 20 30 DHEDHN CC[C@@H](NCCOc1ccc(C#N)cc1)c1ccccc1OC ZINC000181156628 337181975 /nfs/dbraw/zinc/18/19/75/337181975.db2.gz SXNMQTLNIZTULE-GOSISDBHSA-N 0 3 310.397 3.687 20 30 DHEDHN CCOc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1OC(F)F ZINC000185785487 337251245 /nfs/dbraw/zinc/25/12/45/337251245.db2.gz CXNACFOMZKBKOU-GXTWGEPZSA-N 0 3 324.371 3.859 20 30 DHEDHN C=CCC1(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CCC1 ZINC000188644899 337274804 /nfs/dbraw/zinc/27/48/04/337274804.db2.gz PWESPJIKSOPKEG-MRXNPFEDSA-N 0 3 320.502 3.994 20 30 DHEDHN CC(C)n1cccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000190958565 337291766 /nfs/dbraw/zinc/29/17/66/337291766.db2.gz WQMIWDOPESEKSZ-ZDUSSCGKSA-N 0 3 304.353 3.502 20 30 DHEDHN Cc1cccc2c1OC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)C2 ZINC000583782625 337332670 /nfs/dbraw/zinc/33/26/70/337332670.db2.gz UQKBBDSMXMAGDW-XJKSGUPXSA-N 0 3 310.372 3.660 20 30 DHEDHN C=C(C)COCCNCc1ccc(-c2ccncc2)cc1F ZINC000124888159 337408151 /nfs/dbraw/zinc/40/81/51/337408151.db2.gz BZNBXTADSGZBSC-UHFFFAOYSA-N 0 3 300.377 3.570 20 30 DHEDHN Cc1csc([C@H](C)CNC2CC(C#N)(c3ccccc3)C2)n1 ZINC000129682703 337430359 /nfs/dbraw/zinc/43/03/59/337430359.db2.gz BYWICJLLHFNCAB-IMUUDWKMSA-N 0 3 311.454 3.769 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)C2(CC(C)C)CCCC2)CC1 ZINC000152505032 337451787 /nfs/dbraw/zinc/45/17/87/337451787.db2.gz LMFCBDQPBZEJDB-UHFFFAOYSA-N 0 3 306.494 3.750 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000264347902 337632502 /nfs/dbraw/zinc/63/25/02/337632502.db2.gz DUCSOWGRSWXJPH-UHFFFAOYSA-N 0 3 321.852 3.810 20 30 DHEDHN C=CCC(CC=C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000268143900 337634950 /nfs/dbraw/zinc/63/49/50/337634950.db2.gz CUTCPCRTAMXULU-UHFFFAOYSA-N 0 3 314.473 3.865 20 30 DHEDHN C#CC[C@H](N[C@H](C)c1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000271466124 337644189 /nfs/dbraw/zinc/64/41/89/337644189.db2.gz HWRYIHSDUNBESH-QOEFQVSFSA-N 0 3 311.450 3.839 20 30 DHEDHN C=CCSCCN[C@H](C)c1cc(Br)ncc1F ZINC000273894654 337657096 /nfs/dbraw/zinc/65/70/96/337657096.db2.gz URKYBXZGNJJBMV-SECBINFHSA-N 0 3 319.243 3.553 20 30 DHEDHN C[C@@H](NCc1cccc2c1CCCN2)c1ccc(C#N)c(F)c1 ZINC000423409236 337716152 /nfs/dbraw/zinc/71/61/52/337716152.db2.gz BLIZKWXEQOFVQC-CYBMUJFWSA-N 0 3 309.388 3.906 20 30 DHEDHN CC(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424116096 337741597 /nfs/dbraw/zinc/74/15/97/337741597.db2.gz BHKMATWLYYILLJ-JKSUJKDBSA-N 0 3 321.852 3.565 20 30 DHEDHN COc1ccc([C@@H](N[C@H]2CCc3ccc(C#N)cc32)C2CC2)cn1 ZINC000528043356 337785570 /nfs/dbraw/zinc/78/55/70/337785570.db2.gz NTAGWSXLXRYOJK-ICSRJNTNSA-N 0 3 319.408 3.690 20 30 DHEDHN C=CC[C@H](C)N[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000116907834 337844562 /nfs/dbraw/zinc/84/45/62/337844562.db2.gz XYGAPLUSEKPQJH-HNAYVOBHSA-N 0 3 324.424 3.929 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cccc(C)c1C ZINC000537085083 337887700 /nfs/dbraw/zinc/88/77/00/337887700.db2.gz KSNOQLWUKSVYEH-SJORKVTESA-N 0 3 300.446 3.543 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000121486294 337894126 /nfs/dbraw/zinc/89/41/26/337894126.db2.gz WCWGOZMHPSDWTP-LJQANCHMSA-N 0 3 312.457 3.708 20 30 DHEDHN C=C(C)CNCc1cc(Br)ccc1OC(F)F ZINC000122522429 337920309 /nfs/dbraw/zinc/92/03/09/337920309.db2.gz HGOMNAAUSKMMDG-UHFFFAOYSA-N 0 3 306.150 3.716 20 30 DHEDHN CC(C)c1nnc(CCN[C@H](C)c2ccc(C#N)cc2F)s1 ZINC000426294425 338025036 /nfs/dbraw/zinc/02/50/36/338025036.db2.gz UJQMSHOAVFNULJ-LLVKDONJSA-N 0 3 318.421 3.566 20 30 DHEDHN FC(F)(F)Oc1ccc(C#CCN2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426458363 338032885 /nfs/dbraw/zinc/03/28/85/338032885.db2.gz JHCJFHHASODFPF-GOEBONIOSA-N 0 3 309.331 3.811 20 30 DHEDHN CCN(Cc1cnc2ccc(C#N)cn12)[C@@H](C)Cc1ccsc1 ZINC000428470956 338053973 /nfs/dbraw/zinc/05/39/73/338053973.db2.gz UJHNAUSNWRPUQP-AWEZNQCLSA-N 0 3 324.453 3.721 20 30 DHEDHN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428994879 338068244 /nfs/dbraw/zinc/06/82/44/338068244.db2.gz PYWPFMTZWUVKAU-WDSOQIARSA-N 0 3 316.420 3.603 20 30 DHEDHN CCO[C@H]1C[C@H](NCc2ccc(F)c(C#N)c2)C12CCCCC2 ZINC000429779939 338089607 /nfs/dbraw/zinc/08/96/07/338089607.db2.gz AZZKOTAHQJWFSK-ROUUACIJSA-N 0 3 316.420 3.915 20 30 DHEDHN N#CCC1(CNCc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000430060569 338094574 /nfs/dbraw/zinc/09/45/74/338094574.db2.gz UPYJYUSYWHKHSY-UHFFFAOYSA-N 0 3 316.298 3.550 20 30 DHEDHN C=CC[C@H]1N(Cc2cnnn2Cc2ccccc2)CCCC1(C)C ZINC000430079895 338095013 /nfs/dbraw/zinc/09/50/13/338095013.db2.gz STNGVUHKHFRSDN-LJQANCHMSA-N 0 3 324.472 3.893 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@H](CSC)C2)cc1OC ZINC000430198835 338101024 /nfs/dbraw/zinc/10/10/24/338101024.db2.gz QGQDAJRJULVMMP-MRXNPFEDSA-N 0 3 321.486 3.835 20 30 DHEDHN C=CC1CCN(Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000430237782 338102599 /nfs/dbraw/zinc/10/25/99/338102599.db2.gz JDBFDGHYAMAIKV-UHFFFAOYSA-N 0 3 309.413 3.550 20 30 DHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(F)c(Br)c1 ZINC000430751047 338113615 /nfs/dbraw/zinc/11/36/15/338113615.db2.gz RTCATJZSPNZKAY-JTQLQIEISA-N 0 3 311.198 3.933 20 30 DHEDHN C=CCN(CC=C)[C@H](CNc1c(C#N)cccc1C#N)C(C)C ZINC000430523612 338108063 /nfs/dbraw/zinc/10/80/63/338108063.db2.gz ZJKFBTQBQGOVOD-GOSISDBHSA-N 0 3 308.429 3.540 20 30 DHEDHN CCOc1ccc([C@H](C)NCC2(CC#N)CC2)cc1OCC ZINC000430725862 338112460 /nfs/dbraw/zinc/11/24/60/338112460.db2.gz RYJMMZUYERYPLV-AWEZNQCLSA-N 0 3 302.418 3.828 20 30 DHEDHN Cc1c([C@H](C)NCC2(CC#N)CC2)cnn1-c1ccc(F)cc1 ZINC000430727696 338112516 /nfs/dbraw/zinc/11/25/16/338112516.db2.gz HWVAGZKJPXVXIN-ZDUSSCGKSA-N 0 3 312.392 3.664 20 30 DHEDHN C=CCOc1cccc(NC(=O)C[C@H](c2ccccc2)N(C)C)c1 ZINC000431749436 338138012 /nfs/dbraw/zinc/13/80/12/338138012.db2.gz CINAMNJGIXPIPK-LJQANCHMSA-N 0 3 324.424 3.883 20 30 DHEDHN CC(C)(C)CCNC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433027009 338176979 /nfs/dbraw/zinc/17/69/79/338176979.db2.gz JCVNJHDZCNEATJ-KRWDZBQOSA-N 0 3 315.461 3.564 20 30 DHEDHN C[C@H](CCc1ccccc1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433128154 338182588 /nfs/dbraw/zinc/18/25/88/338182588.db2.gz VWFHWCMZXDTNIB-XLIONFOSSA-N 0 3 320.436 3.896 20 30 DHEDHN C[C@@H](CCc1ccccc1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433128152 338182650 /nfs/dbraw/zinc/18/26/50/338182650.db2.gz VWFHWCMZXDTNIB-FXAWDEMLSA-N 0 3 320.436 3.896 20 30 DHEDHN CC1(C)C[C@@H](NCc2cccc(C#N)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433177804 338184165 /nfs/dbraw/zinc/18/41/65/338184165.db2.gz VPUMTAKFBIUMQX-GOSISDBHSA-N 0 3 321.380 3.979 20 30 DHEDHN Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)c(C)c1 ZINC000433225420 338186636 /nfs/dbraw/zinc/18/66/36/338186636.db2.gz BLZRYEAKVYBKPC-SFHVURJKSA-N 0 3 306.409 3.692 20 30 DHEDHN CCS[C@@H]1CCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000433371164 338194076 /nfs/dbraw/zinc/19/40/76/338194076.db2.gz CIYOARPDUSVUQU-BRWVUGGUSA-N 0 3 316.470 3.549 20 30 DHEDHN CCOC(=O)CC1(NCc2ccc(C#N)cc2Cl)CCCC1 ZINC000434624651 338221826 /nfs/dbraw/zinc/22/18/26/338221826.db2.gz QPLINUUPNWPMES-UHFFFAOYSA-N 0 3 320.820 3.567 20 30 DHEDHN C=CCc1cc(CN2CCSC(C)(C)CC2)cc(OC)c1O ZINC000435046665 338230874 /nfs/dbraw/zinc/23/08/74/338230874.db2.gz VNFLPACWFZKNBA-UHFFFAOYSA-N 0 3 321.486 3.847 20 30 DHEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C ZINC000435976104 338254824 /nfs/dbraw/zinc/25/48/24/338254824.db2.gz KJWVAGJOKMSHGG-GQIGUUNPSA-N 0 3 318.420 3.751 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1OC(F)F)C1CCOCC1 ZINC000437894298 338324354 /nfs/dbraw/zinc/32/43/54/338324354.db2.gz XKORFAKSJDFYDN-UHFFFAOYSA-N 0 3 324.371 3.549 20 30 DHEDHN CCCN(CC#Cc1ccc(F)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000438062773 338329420 /nfs/dbraw/zinc/32/94/20/338329420.db2.gz XOCYEHYRKPDBOI-IPMKNSEASA-N 0 3 315.432 3.703 20 30 DHEDHN COc1ccc(CN(C)CC2(c3ccccc3)CC2)cc1C#N ZINC000438263686 338338127 /nfs/dbraw/zinc/33/81/27/338338127.db2.gz VIWYFDRRBAHGNG-UHFFFAOYSA-N 0 3 306.409 3.730 20 30 DHEDHN N#C[C@H]1CC[C@@H](NC2(c3cccc(Br)c3)CC2)C1 ZINC000442864641 338436012 /nfs/dbraw/zinc/43/60/12/338436012.db2.gz RXUWQFXWIDCPKX-SMDDNHRTSA-N 0 3 305.219 3.720 20 30 DHEDHN CCNC(=O)c1ccc(CN[C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000447564806 338557252 /nfs/dbraw/zinc/55/72/52/338557252.db2.gz ZEZAGHUDIJYOTO-IBGZPJMESA-N 0 3 321.424 3.549 20 30 DHEDHN C=CCCCN[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000447794927 338566585 /nfs/dbraw/zinc/56/65/85/338566585.db2.gz KYLSEPWSYFSKTG-LJQANCHMSA-N 0 3 324.424 3.931 20 30 DHEDHN N#Cc1ccc2ncc(CN[C@H]3CCCc4c(F)cccc43)n2c1 ZINC000449353005 338616891 /nfs/dbraw/zinc/61/68/91/338616891.db2.gz XPPBBUITYWNEFY-SFHVURJKSA-N 0 3 320.371 3.512 20 30 DHEDHN C=CC(C)(C)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000452774285 338778738 /nfs/dbraw/zinc/77/87/38/338778738.db2.gz KSOVCPPASNUAJC-UHFFFAOYSA-N 0 3 300.446 3.615 20 30 DHEDHN C=CCC[C@H](CO)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000453351040 338829766 /nfs/dbraw/zinc/82/97/66/338829766.db2.gz KMNVZZDQUXYWEI-DZGCQCFKSA-N 0 3 302.443 3.788 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCC)C2CCCC2)CC1 ZINC000458313938 338995668 /nfs/dbraw/zinc/99/56/68/338995668.db2.gz DKPMRAXIBUINMG-GOSISDBHSA-N 0 3 321.509 3.685 20 30 DHEDHN N#C[C@H]1CCC[C@H]1NCCCc1ccccc1Br ZINC000459482057 339031972 /nfs/dbraw/zinc/03/19/72/339031972.db2.gz QRMUMJBSRRILSC-UKRRQHHQSA-N 0 3 307.235 3.664 20 30 DHEDHN CC(C)(CC#N)CN[C@@H]1CCc2c1cccc2Br ZINC000459730148 339044892 /nfs/dbraw/zinc/04/48/92/339044892.db2.gz LNMMVDLQOPCXSQ-CQSZACIVSA-N 0 3 307.235 3.966 20 30 DHEDHN N#Cc1ccc(Br)c(CN[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459769000 339047363 /nfs/dbraw/zinc/04/73/63/339047363.db2.gz GEQGJGVXWJAREE-ZLDLUXBVSA-N 0 3 305.219 3.599 20 30 DHEDHN N#Cc1cc(Br)ccc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459792402 339048705 /nfs/dbraw/zinc/04/87/05/339048705.db2.gz UOWGIXBIYHETCR-ONERCXAPSA-N 0 3 305.219 3.599 20 30 DHEDHN CC#CCCN(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000462317913 339075601 /nfs/dbraw/zinc/07/56/01/339075601.db2.gz RTZDMUXTRBVVTQ-UHFFFAOYSA-N 0 3 309.356 3.674 20 30 DHEDHN CC(C)COc1ccc(CNCCOc2ccc(C#N)cc2)cc1 ZINC000462752370 339086955 /nfs/dbraw/zinc/08/69/55/339086955.db2.gz ABXZLNKKIFQFNM-UHFFFAOYSA-N 0 3 324.424 3.762 20 30 DHEDHN C=CCSCCNCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462794906 339089232 /nfs/dbraw/zinc/08/92/32/339089232.db2.gz KEJJOYBIZKIUSY-UHFFFAOYSA-N 0 3 307.459 3.651 20 30 DHEDHN CN(CCc1cccc(Br)c1)Cc1ccc(C#N)o1 ZINC000462826890 339092647 /nfs/dbraw/zinc/09/26/47/339092647.db2.gz GMICUDIJUSERMX-UHFFFAOYSA-N 0 3 319.202 3.588 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)C1 ZINC000463290188 339113659 /nfs/dbraw/zinc/11/36/59/339113659.db2.gz UXPPGXZRAJBTRB-BVPBIZIASA-N 0 3 302.393 3.718 20 30 DHEDHN CN(CCc1cccc(Br)c1)CCC(C)(C)C#N ZINC000463411197 339116795 /nfs/dbraw/zinc/11/67/95/339116795.db2.gz CKZSWYDLQQQDKS-UHFFFAOYSA-N 0 3 309.251 3.863 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC2(CC(C)C)CCC2)CC1 ZINC000464751703 339151078 /nfs/dbraw/zinc/15/10/78/339151078.db2.gz ACROPLYWWIPGPQ-UHFFFAOYSA-N 0 3 321.509 3.543 20 30 DHEDHN N#Cc1cccc(CCNCc2c(F)cccc2N2CCCC2)c1 ZINC000466412493 339203302 /nfs/dbraw/zinc/20/33/02/339203302.db2.gz RBYCUDOSNNVXAM-UHFFFAOYSA-N 0 3 323.415 3.630 20 30 DHEDHN CO[C@@H](C)[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000466893869 339220238 /nfs/dbraw/zinc/22/02/38/339220238.db2.gz LEGHDRMCOCWTMQ-HOTGVXAUSA-N 0 3 324.424 3.650 20 30 DHEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000467294539 339230164 /nfs/dbraw/zinc/23/01/64/339230164.db2.gz ADYUEPNJOBOLDG-CVEARBPZSA-N 0 3 310.441 3.913 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000467904726 339249035 /nfs/dbraw/zinc/24/90/35/339249035.db2.gz WBZWCZMRANWJSK-AZUAARDMSA-N 0 3 314.473 3.616 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000469477923 339290899 /nfs/dbraw/zinc/29/08/99/339290899.db2.gz LRIYDUKXJRYORM-MJGOQNOKSA-N 0 3 316.489 3.862 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000469477922 339290948 /nfs/dbraw/zinc/29/09/48/339290948.db2.gz LRIYDUKXJRYORM-IEBWSBKVSA-N 0 3 316.489 3.862 20 30 DHEDHN C=CCCCC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000469751856 339297607 /nfs/dbraw/zinc/29/76/07/339297607.db2.gz KSBLXDPRTVMOCL-GOSISDBHSA-N 0 3 302.462 3.616 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(C)c1F)C(C)C ZINC000472069409 339362164 /nfs/dbraw/zinc/36/21/64/339362164.db2.gz JHSFSKXLRAMINW-KRWDZBQOSA-N 0 3 318.436 3.563 20 30 DHEDHN N#C[C@H]1CC[C@H](NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000472152775 339364499 /nfs/dbraw/zinc/36/44/99/339364499.db2.gz HYWNAIPOTXRRQY-CABZTGNLSA-N 0 3 300.736 3.723 20 30 DHEDHN CC#CCN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000472947251 339379376 /nfs/dbraw/zinc/37/93/76/339379376.db2.gz DTBOIQNPRNTDGC-UHFFFAOYSA-N 0 3 312.240 3.998 20 30 DHEDHN C=CCOc1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)cc1OC ZINC000478302972 339513034 /nfs/dbraw/zinc/51/30/34/339513034.db2.gz NGULGXMFESAQSZ-QGZVFWFLSA-N 0 3 319.445 3.696 20 30 DHEDHN C=CCCCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000481315750 339600894 /nfs/dbraw/zinc/60/08/94/339600894.db2.gz FYUIDLGMSZCFQB-UHFFFAOYSA-N 0 3 308.853 3.587 20 30 DHEDHN C=CCCC[C@H](C)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000483104487 339651918 /nfs/dbraw/zinc/65/19/18/339651918.db2.gz UYUFZDQTHTWFBF-JSGCOSHPSA-N 0 3 317.351 3.953 20 30 DHEDHN Cc1cc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)ccc1C#N ZINC000488139274 339771595 /nfs/dbraw/zinc/77/15/95/339771595.db2.gz NRJFFHALRCLOCQ-WOJBJXKFSA-N 0 3 306.409 3.734 20 30 DHEDHN CC(C)(C)OC(=O)N[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000496265025 340001784 /nfs/dbraw/zinc/00/17/84/340001784.db2.gz QBJCHHHZBOCEMI-OAHLLOKOSA-N 0 3 323.481 3.696 20 30 DHEDHN CC(C)(C)OC(=O)NCCCN[C@@H](CCC#N)c1ccccc1 ZINC000496937657 340016580 /nfs/dbraw/zinc/01/65/80/340016580.db2.gz JZQNUOFUJLVEAX-INIZCTEOSA-N 0 3 317.433 3.536 20 30 DHEDHN CC#CCCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000499209537 340032437 /nfs/dbraw/zinc/03/24/37/340032437.db2.gz DUXYAHANVDEDMH-UHFFFAOYSA-N 0 3 304.393 3.640 20 30 DHEDHN CC(C)(C#N)CCCCN[C@H](CO)c1cccc(Cl)c1F ZINC000499937056 340047360 /nfs/dbraw/zinc/04/73/60/340047360.db2.gz BKNAZYFJRHCJJY-CQSZACIVSA-N 0 3 312.816 3.822 20 30 DHEDHN C=CC[C@@H](CC)N[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000500813120 340067664 /nfs/dbraw/zinc/06/76/64/340067664.db2.gz UOEDRYPUQCTUMV-UXHICEINSA-N 0 3 322.452 3.988 20 30 DHEDHN COc1ccc(C#N)cc1N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500968170 340071138 /nfs/dbraw/zinc/07/11/38/340071138.db2.gz FQTONYCTTRYSMQ-QAPCUYQASA-N 0 3 321.424 3.814 20 30 DHEDHN COc1cc(C#N)ccc1CN(CCc1cccc(F)c1)C1CC1 ZINC000501206497 340076044 /nfs/dbraw/zinc/07/60/44/340076044.db2.gz CHOKUZGEVCPRGE-UHFFFAOYSA-N 0 3 324.399 3.913 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2ccccc2C)C1 ZINC000501203167 340076063 /nfs/dbraw/zinc/07/60/63/340076063.db2.gz LDRQRVXODUGDRN-QGZVFWFLSA-N 0 3 306.409 3.865 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000501307749 340078429 /nfs/dbraw/zinc/07/84/29/340078429.db2.gz MDHFUDHTVYQYSX-SFHVURJKSA-N 0 3 314.473 3.616 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000502563217 340107883 /nfs/dbraw/zinc/10/78/83/340107883.db2.gz LFSPLKQEMUNNEY-CRAIPNDOSA-N 0 3 320.452 3.926 20 30 DHEDHN COc1ccc(CN(CCC(C)(C)C#N)CC2CC2)c(OC)c1 ZINC000503238804 340123804 /nfs/dbraw/zinc/12/38/04/340123804.db2.gz BSFOCEFSCWORAB-UHFFFAOYSA-N 0 3 316.445 3.856 20 30 DHEDHN C=CCCC[C@@H](C)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503268802 340124426 /nfs/dbraw/zinc/12/44/26/340124426.db2.gz KVEVGYARZPZWIV-SJORKVTESA-N 0 3 302.462 3.883 20 30 DHEDHN C=CC[C@H](CC)NC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000504088683 340140665 /nfs/dbraw/zinc/14/06/65/340140665.db2.gz CVGPJOAYUVNNCU-RYRKJORJSA-N 0 3 317.477 3.640 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)c2nc3ccccc3s2)c1 ZINC000505756774 340176754 /nfs/dbraw/zinc/17/67/54/340176754.db2.gz NZCWTLIHVXRXFB-ZDUSSCGKSA-N 0 3 307.378 3.851 20 30 DHEDHN C=CCCCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508891598 340255379 /nfs/dbraw/zinc/25/53/79/340255379.db2.gz HNBSCCLPIQTCJU-AEFFLSMTSA-N 0 3 317.477 3.594 20 30 DHEDHN C=C(C)CN(CC)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508902813 340255648 /nfs/dbraw/zinc/25/56/48/340255648.db2.gz XBECENMHXKTWGJ-AEFFLSMTSA-N 0 3 317.477 3.594 20 30 DHEDHN CCN(CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H](C)O ZINC000510145603 340290540 /nfs/dbraw/zinc/29/05/40/340290540.db2.gz SQECAAFRBXYLHZ-SFHVURJKSA-N 0 3 322.452 3.589 20 30 DHEDHN C=CCN(CCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000510220426 340293037 /nfs/dbraw/zinc/29/30/37/340293037.db2.gz COQOJIGZSHEHJV-UHFFFAOYSA-N 0 3 319.408 3.967 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000510316591 340295703 /nfs/dbraw/zinc/29/57/03/340295703.db2.gz XVGMNGXQPMEJCE-NZSAHSFTSA-N 0 3 318.505 3.750 20 30 DHEDHN Cc1ccccc1OCCCN(C)Cc1cc(C#N)cs1 ZINC000510421071 340298938 /nfs/dbraw/zinc/29/89/38/340298938.db2.gz IPGVNXWXVRNWLF-UHFFFAOYSA-N 0 3 300.427 3.829 20 30 DHEDHN C=C(C)CCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000510744248 340309236 /nfs/dbraw/zinc/30/92/36/340309236.db2.gz FETMOMKAORXMIP-CYBMUJFWSA-N 0 3 307.743 3.948 20 30 DHEDHN C=C(C)CN(CCc1ccc(F)c(F)c1)Cc1ccc(CO)o1 ZINC000512213060 340352631 /nfs/dbraw/zinc/35/26/31/340352631.db2.gz POHLZWWUORTKDD-UHFFFAOYSA-N 0 3 321.367 3.671 20 30 DHEDHN C[C@@H](NCCCN1CCc2ccccc21)c1ccc(C#N)cc1F ZINC000512614518 340369156 /nfs/dbraw/zinc/36/91/56/340369156.db2.gz WDLOBNQPTNVHGP-OAHLLOKOSA-N 0 3 323.415 3.801 20 30 DHEDHN C[C@@H](NCCOc1ccc(F)c(F)c1)c1ccc(C#N)cc1F ZINC000512632257 340370218 /nfs/dbraw/zinc/37/02/18/340370218.db2.gz YIGZVFPTBRGLHZ-LLVKDONJSA-N 0 3 320.314 3.705 20 30 DHEDHN C[C@H](NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(C#N)cc1F ZINC000512637787 340370264 /nfs/dbraw/zinc/37/02/64/340370264.db2.gz ZGOXKNNQZIYDMQ-HFSCJMQWSA-N 0 3 306.384 3.934 20 30 DHEDHN C[C@@H](NC[C@@H](CCO)c1ccccc1)c1ccc(C#N)cc1F ZINC000512666123 340372083 /nfs/dbraw/zinc/37/20/83/340372083.db2.gz IYDQSJHMXJKHEP-RHSMWYFYSA-N 0 3 312.388 3.514 20 30 DHEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C12CCCC2 ZINC000404617097 340405660 /nfs/dbraw/zinc/40/56/60/340405660.db2.gz UFZJJJFFCWYNPH-IRXDYDNUSA-N 0 3 302.393 3.525 20 30 DHEDHN N#Cc1ccc2ncc(CN[C@H]3CCCc4ccc(F)cc43)n2c1 ZINC000526000117 340708283 /nfs/dbraw/zinc/70/82/83/340708283.db2.gz NJMPCGIZMXGFJO-SFHVURJKSA-N 0 3 320.371 3.512 20 30 DHEDHN CC(C)Cc1ccccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000530235891 340783404 /nfs/dbraw/zinc/78/34/04/340783404.db2.gz LDKHBTRSABQJOD-HXUWFJFHSA-N 0 3 308.425 3.580 20 30 DHEDHN Cc1ccccc1[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000539260123 340878855 /nfs/dbraw/zinc/87/88/55/340878855.db2.gz MFPBQBXTSMCQNE-FQEVSTJZSA-N 0 3 321.424 3.792 20 30 DHEDHN C=CC[C@H](CO)CNCc1ccc(-c2ccc(F)cc2C)o1 ZINC000540326507 340927102 /nfs/dbraw/zinc/92/71/02/340927102.db2.gz REYYIALRUZJWDR-AWEZNQCLSA-N 0 3 303.377 3.668 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000540592718 340937119 /nfs/dbraw/zinc/93/71/19/340937119.db2.gz QTNXZETXXZGIDL-BEFAXECRSA-N 0 3 314.473 3.617 20 30 DHEDHN C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000540596004 340937583 /nfs/dbraw/zinc/93/75/83/340937583.db2.gz IFFREXPOLZPENU-KXQLTZBTSA-N 0 3 307.353 3.830 20 30 DHEDHN Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(CC#N)CC1 ZINC000540994985 340954948 /nfs/dbraw/zinc/95/49/48/340954948.db2.gz MRCPURYGXMGFLW-UHFFFAOYSA-N 0 3 322.456 3.674 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2cccc(C)c2)C1 ZINC000542318854 341004544 /nfs/dbraw/zinc/00/45/44/341004544.db2.gz HXDHZDAWTHZWGD-GOSISDBHSA-N 0 3 306.409 3.865 20 30 DHEDHN COc1ccccc1C[C@@H](NCc1ccccc1C#N)C(C)C ZINC000543492674 341047404 /nfs/dbraw/zinc/04/74/04/341047404.db2.gz WRHAQWLTUWDXHP-LJQANCHMSA-N 0 3 308.425 3.924 20 30 DHEDHN N#CCc1ccc(CN2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000544069721 341069009 /nfs/dbraw/zinc/06/90/09/341069009.db2.gz MOCHNBZUXANYQW-UHFFFAOYSA-N 0 3 318.420 3.848 20 30 DHEDHN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(CC#N)cc1 ZINC000544068357 341069092 /nfs/dbraw/zinc/06/90/92/341069092.db2.gz JUBTZTOPGURPID-MGPUTAFESA-N 0 3 306.409 3.577 20 30 DHEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@H]1c1ccccc1 ZINC000544699188 341091323 /nfs/dbraw/zinc/09/13/23/341091323.db2.gz XWNCWZGDYCMIEE-PMACEKPBSA-N 0 3 323.436 3.602 20 30 DHEDHN FC(F)(F)c1ccc(C#CCNC2Cc3ccccc3C2)cc1 ZINC000545191516 341112643 /nfs/dbraw/zinc/11/26/43/341112643.db2.gz YGGNPDDOUHWNSZ-UHFFFAOYSA-N 0 3 315.338 3.814 20 30 DHEDHN C[C@H]1CCC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000073618350 341119333 /nfs/dbraw/zinc/11/93/33/341119333.db2.gz HLKXUKNLBLKAFF-WFASDCNBSA-N 0 3 319.836 3.661 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C)[C@@H]2CCC)CC1 ZINC000074130012 341129562 /nfs/dbraw/zinc/12/95/62/341129562.db2.gz GIYOXCFFFZPATM-WMZOPIPTSA-N 0 3 321.509 3.637 20 30 DHEDHN N#Cc1cccc(CNCc2cccc(OC(F)(F)F)c2)c1 ZINC000076396603 341206665 /nfs/dbraw/zinc/20/66/65/341206665.db2.gz SOLUWAFERDWEOL-UHFFFAOYSA-N 0 3 306.287 3.747 20 30 DHEDHN C[C@@H](CNCc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000237360247 341212557 /nfs/dbraw/zinc/21/25/57/341212557.db2.gz JKWYOKTWYFPWQJ-ZDUSSCGKSA-N 0 3 300.789 3.769 20 30 DHEDHN N#Cc1ccc(CNCCCOc2ccc3ccccc3c2)o1 ZINC000134417887 341214985 /nfs/dbraw/zinc/21/49/85/341214985.db2.gz OUFBWAZXVYBERF-UHFFFAOYSA-N 0 3 306.365 3.863 20 30 DHEDHN COc1ccc([C@@H]2CCN(Cc3ccc(OC)c(C#N)c3)C2)cc1 ZINC000135017880 341228919 /nfs/dbraw/zinc/22/89/19/341228919.db2.gz RCZGPIVDULEEAE-QGZVFWFLSA-N 0 3 322.408 3.565 20 30 DHEDHN CN1CCN(CC#Cc2ccccc2Cl)C2(CCCCC2)C1 ZINC000135128550 341231804 /nfs/dbraw/zinc/23/18/04/341231804.db2.gz BVQQVHLUYNXMPN-UHFFFAOYSA-N 0 3 316.876 3.642 20 30 DHEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000548730345 341270929 /nfs/dbraw/zinc/27/09/29/341270929.db2.gz XZTKMGCEWXAWSV-LRDDRELGSA-N 0 3 319.836 3.661 20 30 DHEDHN C=CCNC(=O)CN[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000548939112 341281830 /nfs/dbraw/zinc/28/18/30/341281830.db2.gz ZEJPXQACYIOBIQ-GOSISDBHSA-N 0 3 302.462 3.573 20 30 DHEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245416483 341292364 /nfs/dbraw/zinc/29/23/64/341292364.db2.gz FESDLPXDCGDQLS-FOIQADDNSA-N 0 3 322.408 3.639 20 30 DHEDHN C=CCOCCN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000549531662 341296525 /nfs/dbraw/zinc/29/65/25/341296525.db2.gz NBOUHTCGDGANLG-OAHLLOKOSA-N 0 3 309.837 3.633 20 30 DHEDHN C=CCOCCN(C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000549718180 341301349 /nfs/dbraw/zinc/30/13/49/341301349.db2.gz ZXHYJSMHPAPQDG-CYBMUJFWSA-N 0 3 301.352 3.771 20 30 DHEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000549808033 341303578 /nfs/dbraw/zinc/30/35/78/341303578.db2.gz QCPANLWGJILQGM-VQIMIIECSA-N 0 3 306.409 3.679 20 30 DHEDHN C=CCC(C)(C)CN[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000550855661 341324614 /nfs/dbraw/zinc/32/46/14/341324614.db2.gz CAFWXKUNOZWSKB-ZDUSSCGKSA-N 0 3 316.424 3.968 20 30 DHEDHN C=CC[C@@H]1N(Cc2cnc3ccc(C#N)cn23)CCCC1(C)C ZINC000551820913 341353000 /nfs/dbraw/zinc/35/30/00/341353000.db2.gz FFUIZVNHILAXDP-KRWDZBQOSA-N 0 3 308.429 3.773 20 30 DHEDHN CN(C)Cc1ccccc1NC(=O)c1cc(C#N)ccc1Cl ZINC000552005930 341359496 /nfs/dbraw/zinc/35/94/96/341359496.db2.gz UXGJQZQEMGLAPB-UHFFFAOYSA-N 0 3 313.788 3.526 20 30 DHEDHN CC[C@@H](CNCc1cc(C#N)cs1)Oc1cccc(F)c1 ZINC000084674778 341361528 /nfs/dbraw/zinc/36/15/28/341361528.db2.gz IQSQPMPHTUJMAW-AWEZNQCLSA-N 0 3 304.390 3.706 20 30 DHEDHN C=CCCOCCN[C@H](C)c1ccc(F)cc1OC(F)F ZINC000090884078 341420000 /nfs/dbraw/zinc/42/00/00/341420000.db2.gz CXXORWMMFYVUIR-LLVKDONJSA-N 0 3 303.324 3.670 20 30 DHEDHN C=CCCC[C@@H](C)NCc1cn2ccc(Br)cc2n1 ZINC000565098868 341516958 /nfs/dbraw/zinc/51/69/58/341516958.db2.gz SFZBIYCGQAODKO-GFCCVEGCSA-N 0 3 322.250 3.931 20 30 DHEDHN COc1cc(CN[C@H]2c3cc(C)ccc3C[C@@H]2C)ccc1C#N ZINC000565152970 341518448 /nfs/dbraw/zinc/51/84/48/341518448.db2.gz LNBIKLUUMKKEGB-VBKZILBWSA-N 0 3 306.409 3.898 20 30 DHEDHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NCc2ccc(C#N)cn2)c1 ZINC000566415287 341557173 /nfs/dbraw/zinc/55/71/73/341557173.db2.gz AMQSRULQZUGEOC-VQTJNVASSA-N 0 3 321.424 3.742 20 30 DHEDHN C=CCOc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000566630435 341563705 /nfs/dbraw/zinc/56/37/05/341563705.db2.gz LNNNJZHJEFNAOV-SFHVURJKSA-N 0 3 324.380 3.937 20 30 DHEDHN COc1cccc2c1CCC[C@H]2NCc1ccc(CC#N)cc1 ZINC000567166020 341583755 /nfs/dbraw/zinc/58/37/55/341583755.db2.gz IGMCZVWCIAQTRS-LJQANCHMSA-N 0 3 306.409 3.928 20 30 DHEDHN CC1CCC(Oc2cc(CN[C@@H]3CC[C@H](C#N)C3)ccn2)CC1 ZINC000573066546 341715934 /nfs/dbraw/zinc/71/59/34/341715934.db2.gz BXHWBOUZMSYLDK-HILOLKJVSA-N 0 3 313.445 3.821 20 30 DHEDHN CC[C@H](NC1CCC(C)(C#N)CC1)c1nnc2n1CCCCC2 ZINC000573653191 341734928 /nfs/dbraw/zinc/73/49/28/341734928.db2.gz BIPYIOUIXHHEJT-CSLYMUCUSA-N 0 3 315.465 3.518 20 30 DHEDHN COc1cc(CN[C@@H]2CCCc3c(OC)cccc32)ccc1C#N ZINC000576792823 341863562 /nfs/dbraw/zinc/86/35/62/341863562.db2.gz KFQYMYAGUDZGNK-GOSISDBHSA-N 0 3 322.408 3.743 20 30 DHEDHN C=C(C)COc1cc(CNCCOC(C)(C)C)ccc1OC ZINC000520204007 517313834 /nfs/dbraw/zinc/31/38/34/517313834.db2.gz CMKGBUDBAFSRKN-UHFFFAOYSA-N 0 3 307.434 3.555 20 30 DHEDHN CCc1ncc(CNCCSCc2ccccc2C#N)s1 ZINC000267619938 522553848 /nfs/dbraw/zinc/55/38/48/522553848.db2.gz KODZEAIDCSPIJT-UHFFFAOYSA-N 0 3 317.483 3.600 20 30 DHEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)nc1 ZINC000338232494 524014122 /nfs/dbraw/zinc/01/41/22/524014122.db2.gz FNRPWFFRGXJYAC-UHFFFAOYSA-N 0 3 309.413 3.620 20 30 DHEDHN C[C@H](NC[C@@](C)(O)c1ccccc1Cl)c1cccc(C#N)c1 ZINC000157559988 525401623 /nfs/dbraw/zinc/40/16/23/525401623.db2.gz CSOTVZZNCVPZOS-SCLBCKFNSA-N 0 3 314.816 3.770 20 30 DHEDHN C[C@H](NC[C@H](c1cccc(F)c1)N(C)C)c1ccc(C#N)cc1 ZINC000181388060 525410649 /nfs/dbraw/zinc/41/06/49/525410649.db2.gz HKSCEJZJRFSUTO-IFXJQAMLSA-N 0 3 311.404 3.651 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC000154348805 525606966 /nfs/dbraw/zinc/60/69/66/525606966.db2.gz FMDYKPGHIPEHMT-LSDHHAIUSA-N 0 3 317.396 3.551 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C#N)cc1 ZINC000154348907 525656802 /nfs/dbraw/zinc/65/68/02/525656802.db2.gz FMDYKPGHIPEHMT-HUUCEWRRSA-N 0 3 317.396 3.551 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000338333008 526043726 /nfs/dbraw/zinc/04/37/26/526043726.db2.gz OKXNYPSSZYIVHL-UTKZUKDTSA-N 0 3 320.436 3.645 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2cccs2)s1 ZINC000180507038 526613799 /nfs/dbraw/zinc/61/37/99/526613799.db2.gz WHXWZHNANGROGG-WFASDCNBSA-N 0 3 318.467 3.769 20 30 DHEDHN N#Cc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)s1 ZINC000237743878 526621926 /nfs/dbraw/zinc/62/19/26/526621926.db2.gz RYBTXGCCAMAANU-UHFFFAOYSA-N 0 3 316.401 3.554 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)s1 ZINC000182109882 526625709 /nfs/dbraw/zinc/62/57/09/526625709.db2.gz QKBYLJHDDRNRSV-CVEARBPZSA-N 0 3 318.829 3.893 20 30 DHEDHN N#Cc1ccc(CN[C@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000161979424 526626219 /nfs/dbraw/zinc/62/62/19/526626219.db2.gz FRAORVKQXNQIHH-HXUWFJFHSA-N 0 3 323.415 3.624 20 30 DHEDHN N#Cc1ccc(F)c(CN[C@H](c2ccccc2)C2CCOCC2)c1 ZINC000367733141 526639525 /nfs/dbraw/zinc/63/95/25/526639525.db2.gz ZTOGQJKROOUEHI-HXUWFJFHSA-N 0 3 324.399 3.955 20 30 DHEDHN N#Cc1cccc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000267439527 526703303 /nfs/dbraw/zinc/70/33/03/526703303.db2.gz HMSQIIVYNCPYSC-IAGOWNOFSA-N 0 3 312.438 3.708 20 30 DHEDHN C=CCC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734874 607390464 /nfs/dbraw/zinc/39/04/64/607390464.db2.gz WEIKJDQINBMMLN-GOSISDBHSA-N 0 3 319.412 3.664 20 30 DHEDHN C=CCC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734874 607390466 /nfs/dbraw/zinc/39/04/66/607390466.db2.gz WEIKJDQINBMMLN-GOSISDBHSA-N 0 3 319.412 3.664 20 30 DHEDHN C=CCCC[C@H](C)[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823894299 946503999 /nfs/dbraw/zinc/50/39/99/946503999.db2.gz MRKWZWGRVWAOSK-SUMWQHHRSA-N 0 3 311.433 3.579 20 30 DHEDHN C=CCCC[C@H](C)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823894299 946504005 /nfs/dbraw/zinc/50/40/05/946504005.db2.gz MRKWZWGRVWAOSK-SUMWQHHRSA-N 0 3 311.433 3.579 20 30 DHEDHN C=CCC[NH2+][C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823898813 946506098 /nfs/dbraw/zinc/50/60/98/946506098.db2.gz CIRQWKSZYNKKQZ-CQSZACIVSA-N 0 3 319.412 3.760 20 30 DHEDHN C=CCC[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823898813 946506103 /nfs/dbraw/zinc/50/61/03/946506103.db2.gz CIRQWKSZYNKKQZ-CQSZACIVSA-N 0 3 319.412 3.760 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2CCC)CC1 ZINC000519282726 1013301741 /nfs/dbraw/zinc/30/17/41/1013301741.db2.gz MUWSQKPWICJEGC-FUHWJXTLSA-N 0 3 321.509 3.685 20 30 DHEDHN CC(C)OC(=O)C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000894490725 1013387078 /nfs/dbraw/zinc/38/70/78/1013387078.db2.gz SHISVWUOBKNOCK-WBVHZDCISA-N 0 3 316.445 3.987 20 30 DHEDHN C[C@H](NCCSCC(F)(F)F)c1ccc(C#N)cc1F ZINC000358598726 1013507624 /nfs/dbraw/zinc/50/76/24/1013507624.db2.gz ZFGVCYGCGZYEHM-VIFPVBQESA-N 0 3 306.328 3.643 20 30 DHEDHN C#C[C@@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000894870043 1013572810 /nfs/dbraw/zinc/57/28/10/1013572810.db2.gz HPHNGUMBTYUQJB-NOXHYTERSA-N 0 3 322.246 3.669 20 30 DHEDHN C#C[C@H](N[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000894870044 1013572546 /nfs/dbraw/zinc/57/25/46/1013572546.db2.gz HPHNGUMBTYUQJB-OJDYBEQGSA-N 0 3 322.246 3.669 20 30 DHEDHN C#C[C@H](NC1CC(C(F)F)C1)c1ccc(Br)cc1 ZINC000894869765 1013571355 /nfs/dbraw/zinc/57/13/55/1013571355.db2.gz DDPIGBMFZPSMGB-GDKBPFBDSA-N 0 3 314.173 3.757 20 30 DHEDHN C#C[C@H](N[C@H]1CCO[C@@H](CC)C1)c1ccc(Br)cc1 ZINC000894870931 1013572091 /nfs/dbraw/zinc/57/20/91/1013572091.db2.gz QDVYXTPTPXHCQQ-JYJNAYRXSA-N 0 3 322.246 3.671 20 30 DHEDHN C[C@H]1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000655729457 1013671601 /nfs/dbraw/zinc/67/16/01/1013671601.db2.gz ALJKCPXBFBIWSQ-SWLSCSKDSA-N 0 3 313.388 3.931 20 30 DHEDHN CCc1ocnc1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000328733826 1013796800 /nfs/dbraw/zinc/79/68/00/1013796800.db2.gz YGXOKCRTTBZGJQ-UHFFFAOYSA-N 0 3 319.449 3.588 20 30 DHEDHN CC1(C)CN(CC(=O)NC2(C#N)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000328860027 1013803255 /nfs/dbraw/zinc/80/32/55/1013803255.db2.gz LHPGGNZNOWWCCI-HUUCEWRRSA-N 0 3 303.450 3.680 20 30 DHEDHN Cc1cc(NC(=O)[C@H]2CCCN2C2CCCC2)cc2n[nH]cc21 ZINC000328993720 1013811654 /nfs/dbraw/zinc/81/16/54/1013811654.db2.gz GDOAUCBLJHYJKU-QGZVFWFLSA-N 0 3 312.417 3.866 20 30 DHEDHN Cc1noc(C(C)C)c1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000330406692 1013815914 /nfs/dbraw/zinc/81/59/14/1013815914.db2.gz YSGAIPPRMUYPAW-CHWSQXEVSA-N 0 3 307.438 3.531 20 30 DHEDHN CCCC(=O)Nc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000048714132 1013929395 /nfs/dbraw/zinc/92/93/95/1013929395.db2.gz UZGWHTYTBLCNIO-UHFFFAOYSA-N 0 3 307.397 3.587 20 30 DHEDHN N#Cc1ccc(CNCc2cc3c(s2)CCCC3)cc1F ZINC000579460580 1014028576 /nfs/dbraw/zinc/02/85/76/1014028576.db2.gz SHUIRKBXOOPCSV-UHFFFAOYSA-N 0 3 300.402 3.927 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccccc2F)n1 ZINC000155756114 1014160786 /nfs/dbraw/zinc/16/07/86/1014160786.db2.gz IJKZKZZQFWPRMP-JTQLQIEISA-N 0 3 303.362 3.651 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(F)cc2F)n1 ZINC000155760744 1014173810 /nfs/dbraw/zinc/17/38/10/1014173810.db2.gz RQGHAHZKFDLDHH-SNVBAGLBSA-N 0 3 321.352 3.791 20 30 DHEDHN CCCN(Cc1ccc(Br)cc1C#N)CC1CC1 ZINC000310911325 1014428170 /nfs/dbraw/zinc/42/81/70/1014428170.db2.gz PDLWMNXQYVZPGF-UHFFFAOYSA-N 0 3 307.235 3.943 20 30 DHEDHN CCN(CC)[C@@H](C/N=C/c1ccccc1O)c1ccsc1 ZINC000075474314 1014512399 /nfs/dbraw/zinc/51/23/99/1014512399.db2.gz RHNLINNBPINYRO-GYKGCMEESA-N 0 3 302.443 3.956 20 30 DHEDHN C=CCN(Cc1cccs1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000561850846 1032096820 /nfs/dbraw/zinc/09/68/20/1032096820.db2.gz YDOGLXLAGBSFDU-INIZCTEOSA-N 0 3 321.873 3.993 20 30 DHEDHN C=CC[C@H](Cc1ccccc1)n1cc(CNC2CCCC2)nn1 ZINC000656457236 1014668100 /nfs/dbraw/zinc/66/81/00/1014668100.db2.gz HUAXRTMUTHMLTB-LJQANCHMSA-N 0 3 310.445 3.670 20 30 DHEDHN Cc1csc(C(C#N)=C([O-])c2ccc(OC3CCC3)cc2)n1 ZINC000442601052 1014705323 /nfs/dbraw/zinc/70/53/23/1014705323.db2.gz SJANNNJFGLLPHU-OAHLLOKOSA-N 0 3 312.394 3.873 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC3CCC3)cc2)n1 ZINC000442601052 1014705333 /nfs/dbraw/zinc/70/53/33/1014705333.db2.gz SJANNNJFGLLPHU-OAHLLOKOSA-N 0 3 312.394 3.873 20 30 DHEDHN N#C[C@@H]1CC[C@H](NC2(c3cccc(Br)c3)CC2)C1 ZINC000442864635 1014751200 /nfs/dbraw/zinc/75/12/00/1014751200.db2.gz RXUWQFXWIDCPKX-RISCZKNCSA-N 0 3 305.219 3.720 20 30 DHEDHN N#CC(C(=O)c1nccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000113650915 1014881036 /nfs/dbraw/zinc/88/10/36/1014881036.db2.gz REBXSJIRPOLTKB-AWEZNQCLSA-N 0 3 312.332 3.601 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443643727 1015062799 /nfs/dbraw/zinc/06/27/99/1015062799.db2.gz WFYIQDVKOVYZCU-CABCVRRESA-N 0 3 309.837 3.510 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](CC)c1cccc(Cl)c1 ZINC000341295581 1015172418 /nfs/dbraw/zinc/17/24/18/1015172418.db2.gz QROGUOZJTDBBKP-YOEHRIQHSA-N 0 3 320.864 3.970 20 30 DHEDHN Cc1ccc(C2=NO[C@@H](CN[C@H](C)CC(C)(C)C#N)C2)cc1C ZINC000895976619 1015385221 /nfs/dbraw/zinc/38/52/21/1015385221.db2.gz IPNXHYVCIISJQH-NVXWUHKLSA-N 0 3 313.445 3.714 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000522440940 1015393215 /nfs/dbraw/zinc/39/32/15/1015393215.db2.gz HFGFKRQHCXCSRI-VQIMIIECSA-N 0 3 314.473 3.978 20 30 DHEDHN CC(C)CN(Cc1cn(C)nc1C1CC1)Cc1ccc(C#N)cc1 ZINC000891683892 1015523956 /nfs/dbraw/zinc/52/39/56/1015523956.db2.gz BAGIZUALXPYCFT-UHFFFAOYSA-N 0 3 322.456 3.827 20 30 DHEDHN N#Cc1ccc(-c2nnc(CN3CC[C@H](C4CCCC4)C3)o2)cc1 ZINC000562933684 1015645359 /nfs/dbraw/zinc/64/53/59/1015645359.db2.gz PRCNRKLHIJZJLX-KRWDZBQOSA-N 0 3 322.412 3.620 20 30 DHEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176092318 1015670700 /nfs/dbraw/zinc/67/07/00/1015670700.db2.gz QGBKMXWZMSPUBT-IKGGRYGDSA-N 0 3 318.376 3.533 20 30 DHEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)cs1 ZINC000891870328 1015699958 /nfs/dbraw/zinc/69/99/58/1015699958.db2.gz SIOZNAZAKDTOER-QZTJIDSGSA-N 0 3 312.438 3.708 20 30 DHEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)cs1 ZINC000891870326 1015700550 /nfs/dbraw/zinc/70/05/50/1015700550.db2.gz SIOZNAZAKDTOER-MSOLQXFVSA-N 0 3 312.438 3.708 20 30 DHEDHN CC(=O)Nc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341757057 1015723192 /nfs/dbraw/zinc/72/31/92/1015723192.db2.gz HLLXYKRJKXMIGL-FQEVSTJZSA-N 0 3 319.408 3.684 20 30 DHEDHN COc1ccc([C@@H](C/N=C/c2ccccc2O)N2CCCC2)cc1 ZINC000022768454 1015820210 /nfs/dbraw/zinc/82/02/10/1015820210.db2.gz QHKVORRBGKUSPP-KNGGAZFVSA-N 0 3 324.424 3.657 20 30 DHEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccnc(C#N)c2)C12CCCCC2 ZINC000610994029 1016005628 /nfs/dbraw/zinc/00/56/28/1016005628.db2.gz RPADLBKOBASKLH-MSOLQXFVSA-N 0 3 313.445 3.513 20 30 DHEDHN CCCCN(CC(=O)N(CC)CCC#N)[C@@H](C)c1ccccc1 ZINC000346633605 1016490399 /nfs/dbraw/zinc/49/03/99/1016490399.db2.gz XAGVARQHZPOBQW-KRWDZBQOSA-N 0 3 315.461 3.612 20 30 DHEDHN CN(Cc1ccc(F)c(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763823024 1016876885 /nfs/dbraw/zinc/87/68/85/1016876885.db2.gz GWIKRLFUTWOECL-QGZVFWFLSA-N 0 3 318.779 3.516 20 30 DHEDHN C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185421271 1016907894 /nfs/dbraw/zinc/90/78/94/1016907894.db2.gz JTAWTPPTXQFDPQ-CYBMUJFWSA-N 0 3 301.361 3.947 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC(F)(C3CC3)CC2)cc1 ZINC000896946363 1016950387 /nfs/dbraw/zinc/95/03/87/1016950387.db2.gz HVQZFGQCVHFDMG-CQSZACIVSA-N 0 3 302.393 3.692 20 30 DHEDHN C=CCCn1cc(CNC[C@@H]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000657484636 1017008369 /nfs/dbraw/zinc/00/83/69/1017008369.db2.gz GQXMEKPSEUQZPT-AZUAARDMSA-N 0 3 324.472 3.918 20 30 DHEDHN C#CCN(Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000763948630 1017039788 /nfs/dbraw/zinc/03/97/88/1017039788.db2.gz CIXMGAASWJUPKI-UHFFFAOYSA-N 0 3 315.214 3.595 20 30 DHEDHN COc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1C#N ZINC000847059909 1032193648 /nfs/dbraw/zinc/19/36/48/1032193648.db2.gz QIQOYMDROOAGOX-UHFFFAOYSA-N 0 3 317.392 3.608 20 30 DHEDHN C[C@H](CCC#N)CN[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000877471467 1033311581 /nfs/dbraw/zinc/31/15/81/1033311581.db2.gz XIQZTSLLPAROKL-VXGBXAGGSA-N 0 3 318.808 3.980 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1Cl)[C@H]1CC[C@H](C)C1 ZINC000362170811 1032260043 /nfs/dbraw/zinc/26/00/43/1032260043.db2.gz SSRHTZDBIJSNBI-BBRMVZONSA-N 0 3 306.837 3.849 20 30 DHEDHN COc1ccc(Cl)c2c1C[C@H](N1CCC[C@@H](C#N)CC1)CC2 ZINC001171321993 1032365790 /nfs/dbraw/zinc/36/57/90/1032365790.db2.gz QGKRYMPHWRHDIP-ZIAGYGMSSA-N 0 3 318.848 3.832 20 30 DHEDHN C#C[C@@H]1CCCN([C@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001171327121 1032379720 /nfs/dbraw/zinc/37/97/20/1032379720.db2.gz VDSKYQVCBHXUBZ-KGLIPLIRSA-N 0 3 303.833 3.551 20 30 DHEDHN CCCCCCCCC/C=C\C(=O)N1CC[C@H](N2CCC2)C1 ZINC001148308595 1032384158 /nfs/dbraw/zinc/38/41/58/1032384158.db2.gz XTAOIDOZFHRWNZ-ANGAQGJPSA-N 0 3 306.494 3.990 20 30 DHEDHN N#Cc1cc(CN[C@@H](CN2CCCC2)c2ccccc2)cs1 ZINC000921501735 1017256622 /nfs/dbraw/zinc/25/66/22/1017256622.db2.gz NEXMNOQHZGNUHM-SFHVURJKSA-N 0 3 311.454 3.546 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1cccc(F)c1 ZINC000054272569 1017298843 /nfs/dbraw/zinc/29/88/43/1017298843.db2.gz YOGGYBXCYUDRTR-LJQANCHMSA-N 0 3 315.388 3.556 20 30 DHEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2c2ccc(Cl)cc2)nn1 ZINC000424294367 1011960207 /nfs/dbraw/zinc/96/02/07/1011960207.db2.gz KTRISZYCLVXILX-SJORKVTESA-N 0 3 316.836 3.543 20 30 DHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3sc(Br)cc32)C1 ZINC000424329151 1011983089 /nfs/dbraw/zinc/98/30/89/1011983089.db2.gz PGMSNJPQTVNRHL-NGZCFLSTSA-N 0 3 311.248 3.780 20 30 DHEDHN C=CCC(C)(C)CNCc1nc2c(s1)CN(C(C)C)CC2 ZINC000339418407 1012031812 /nfs/dbraw/zinc/03/18/12/1012031812.db2.gz ZOFAIWOQYQLAFT-UHFFFAOYSA-N 0 3 307.507 3.602 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(F)F)cc2F)nc(C)n1 ZINC000654969951 1012219916 /nfs/dbraw/zinc/21/99/16/1012219916.db2.gz QJNUBIXAKITYDD-GFCCVEGCSA-N 0 3 319.286 3.660 20 30 DHEDHN CCOc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)ccc1O ZINC000425365476 1012492534 /nfs/dbraw/zinc/49/25/34/1012492534.db2.gz KVOCKWNZMUFQLT-CQSZACIVSA-N 0 3 310.397 3.856 20 30 DHEDHN COCCOc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425365851 1012492563 /nfs/dbraw/zinc/49/25/63/1012492563.db2.gz NKDNSYDNEKLTER-INIZCTEOSA-N 0 3 324.424 3.776 20 30 DHEDHN CN(CCOc1cccc(C#N)c1)Cc1ccc(Cl)cc1 ZINC000048334909 1012550230 /nfs/dbraw/zinc/55/02/30/1012550230.db2.gz ZVWXKVOFGGFFGW-UHFFFAOYSA-N 0 3 300.789 3.722 20 30 DHEDHN CCC(CC)N(CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000515236520 1012587292 /nfs/dbraw/zinc/58/72/92/1012587292.db2.gz RXAJXHXKYZBNDH-UHFFFAOYSA-N 0 3 307.825 3.661 20 30 DHEDHN C=CCN(CCOc1ccccc1F)Cc1ccc(OC)cc1 ZINC000515510882 1012649603 /nfs/dbraw/zinc/64/96/03/1012649603.db2.gz TXGYLULLJUOGFY-UHFFFAOYSA-N 0 3 315.388 3.901 20 30 DHEDHN C=CC[C@@H]1CCN(Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC001206799271 1012680021 /nfs/dbraw/zinc/68/00/21/1012680021.db2.gz DBIKQGKLJUGDHH-CYBMUJFWSA-N 0 3 301.459 3.980 20 30 DHEDHN C=CCCCCNCc1cccc(Cl)c1S(=O)(=O)CC ZINC000274842768 1012731881 /nfs/dbraw/zinc/73/18/81/1012731881.db2.gz WMPBLXVCDTWHRA-UHFFFAOYSA-N 0 3 315.866 3.580 20 30 DHEDHN C#CCCCN[C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000274883184 1012800071 /nfs/dbraw/zinc/80/00/71/1012800071.db2.gz NTLNKLJZDKLRFY-IBGZPJMESA-N 0 3 303.409 3.666 20 30 DHEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000516998457 1012887067 /nfs/dbraw/zinc/88/70/67/1012887067.db2.gz TZZPWTRBDLMQBL-ARGWCVDVSA-N 0 3 322.408 3.610 20 30 DHEDHN N#Cc1ccccc1CSCCNCc1ccc(F)cc1F ZINC000517540955 1013004868 /nfs/dbraw/zinc/00/48/68/1013004868.db2.gz RDGKCWWWCVVYBE-UHFFFAOYSA-N 0 3 318.392 3.859 20 30 DHEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000342732908 1017124295 /nfs/dbraw/zinc/12/42/95/1017124295.db2.gz FGTJJWVVXCYMKS-KBPBESRZSA-N 0 3 300.402 3.506 20 30 DHEDHN C=CCCC[C@H](C)N(CC)CC(=O)Nc1ccccc1OC ZINC000091506788 1017852091 /nfs/dbraw/zinc/85/20/91/1017852091.db2.gz ITDQUEVRIBLCFU-HNNXBMFYSA-N 0 3 304.434 3.700 20 30 DHEDHN N#Cc1ccccc1N1CCN(CC2CCC(F)(F)CC2)CC1 ZINC001207343569 1017911252 /nfs/dbraw/zinc/91/12/52/1017911252.db2.gz DJBUGCPJUHPMTP-UHFFFAOYSA-N 0 3 319.399 3.506 20 30 DHEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2cc(C)[nH]n2)cc1 ZINC000766086467 1018218244 /nfs/dbraw/zinc/21/82/44/1018218244.db2.gz LJUWODJLNNSRIL-CYBMUJFWSA-N 0 3 305.809 3.700 20 30 DHEDHN Cn1c2ccccc2nc1[C@@H](NCCCCC#N)c1ccccc1 ZINC000125947664 1018338891 /nfs/dbraw/zinc/33/88/91/1018338891.db2.gz PEPQRFLTWVCXOJ-IBGZPJMESA-N 0 3 318.424 3.946 20 30 DHEDHN C=C(Cl)CN(CCc1ccc(OC)c(OC)c1)CC(C)C ZINC000734638816 1018342406 /nfs/dbraw/zinc/34/24/06/1018342406.db2.gz JYKVLAWHVAQBHQ-UHFFFAOYSA-N 0 3 311.853 3.957 20 30 DHEDHN CCC[C@@]1(COC)CCCN1Cc1cn2ccccc2c1C#N ZINC000447400634 1018389440 /nfs/dbraw/zinc/38/94/40/1018389440.db2.gz QLXKTKKTXXIRNM-IBGZPJMESA-N 0 3 311.429 3.592 20 30 DHEDHN Cn1cccc1[C@H]1CCCCN1CCOc1cccc(C#N)c1 ZINC000175119332 1018501656 /nfs/dbraw/zinc/50/16/56/1018501656.db2.gz QHLHIBSVYKGLKV-LJQANCHMSA-N 0 3 309.413 3.503 20 30 DHEDHN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000060355820 1018756967 /nfs/dbraw/zinc/75/69/67/1018756967.db2.gz SJNWQLBPUOOTIC-QGZVFWFLSA-N 0 3 309.388 3.774 20 30 DHEDHN CO[C@H](CNCc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000921782040 1018828231 /nfs/dbraw/zinc/82/82/31/1018828231.db2.gz CNUQACNFWLDGEX-OAHLLOKOSA-N 0 3 306.818 3.750 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(Br)cc2F)C1 ZINC000765927557 1018833431 /nfs/dbraw/zinc/83/34/31/1018833431.db2.gz VGDRXFPWIMEIOX-GXFFZTMASA-N 0 3 311.198 3.760 20 30 DHEDHN C[C@@H](c1ccc(F)cc1)N1CCCN(c2ccccc2C#N)CC1 ZINC000052801170 1018942179 /nfs/dbraw/zinc/94/21/79/1018942179.db2.gz MICCUZXBAVHAPD-INIZCTEOSA-N 0 3 323.415 3.971 20 30 DHEDHN CN(C)[C@H](CNc1nc(Cl)c(C#N)s1)c1ccc(F)cc1 ZINC000278704381 1019066207 /nfs/dbraw/zinc/06/62/07/1019066207.db2.gz NHATYHKXRPXLMQ-LLVKDONJSA-N 0 3 324.812 3.522 20 30 DHEDHN CC[C@@H](CC#N)N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000136959010 1019382144 /nfs/dbraw/zinc/38/21/44/1019382144.db2.gz ZGUSWYQQFOSCPS-KBMXLJTQSA-N 0 3 301.390 3.588 20 30 DHEDHN Cc1ccccc1[C@H](CO)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393321 1019469114 /nfs/dbraw/zinc/46/91/14/1019469114.db2.gz BXLPAILTEFEGAV-UXHICEINSA-N 0 3 306.409 3.567 20 30 DHEDHN N#Cc1cccc(NC(=O)CN[C@H](CC2CC2)c2ccccc2)c1 ZINC000611395654 1019470627 /nfs/dbraw/zinc/47/06/27/1019470627.db2.gz MZGAVSCAMFBCRK-LJQANCHMSA-N 0 3 319.408 3.628 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000611465856 1019493221 /nfs/dbraw/zinc/49/32/21/1019493221.db2.gz UXTWVFRLJSDAEG-QWRGUYRKSA-N 0 3 324.359 3.691 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C#N)c(F)c1 ZINC000611465855 1019493555 /nfs/dbraw/zinc/49/35/55/1019493555.db2.gz UXTWVFRLJSDAEG-MNOVXSKESA-N 0 3 324.359 3.691 20 30 DHEDHN Cc1sc(NC(=O)CN(C)C2CCC(C)CC2)c(C#N)c1C ZINC000078728561 1019578941 /nfs/dbraw/zinc/57/89/41/1019578941.db2.gz ZWGLLJLGTHAONV-UHFFFAOYSA-N 0 3 319.474 3.686 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000078973607 1019634800 /nfs/dbraw/zinc/63/48/00/1019634800.db2.gz PYECMPXWSCUUKQ-KGLIPLIRSA-N 0 3 308.381 3.741 20 30 DHEDHN C#CC[C@H](CCOC)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000858333469 1032850206 /nfs/dbraw/zinc/85/02/06/1032850206.db2.gz HJAOEECSCHKYJF-LJQANCHMSA-N 0 3 309.409 3.577 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)C2CCCCC2)c([O-])c1 ZINC000727685400 1019751387 /nfs/dbraw/zinc/75/13/87/1019751387.db2.gz LXRBNOCBPDYKOG-XAJRUKRBSA-N 0 3 318.461 3.599 20 30 DHEDHN C=CCc1cc(CN[C@@H]2CCc3ccccc32)cc(OC)c1O ZINC000113316536 1019754628 /nfs/dbraw/zinc/75/46/28/1019754628.db2.gz KHFAAYJFDDCHLC-GOSISDBHSA-N 0 3 309.409 3.906 20 30 DHEDHN C[C@@H]1Cc2cc(CNC(C)(C)c3cccc(C#N)c3)ccc2O1 ZINC000922239457 1019915110 /nfs/dbraw/zinc/91/51/10/1019915110.db2.gz RDCRKDMSWQGGBL-CQSZACIVSA-N 0 3 306.409 3.907 20 30 DHEDHN CCN(C)c1ccccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000730109624 1019948052 /nfs/dbraw/zinc/94/80/52/1019948052.db2.gz UDXJJRRSZKDXKH-MRXNPFEDSA-N 0 3 323.440 3.723 20 30 DHEDHN N#Cc1ccc2c(c1)CN([C@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168721281 1019970904 /nfs/dbraw/zinc/97/09/04/1019970904.db2.gz NXHNZVFSXUAEOI-KRWDZBQOSA-N 0 3 308.812 3.737 20 30 DHEDHN COc1ccc([C@@H]2CCCN2Cc2ccc(OCC#N)cc2)cc1 ZINC000264176048 1032867697 /nfs/dbraw/zinc/86/76/97/1032867697.db2.gz WWWQEZIINITPPT-FQEVSTJZSA-N 0 3 322.408 3.935 20 30 DHEDHN C=CCCC[C@H](NCc1cnc2n1CCOC2)c1ccccc1 ZINC000922335929 1020014534 /nfs/dbraw/zinc/01/45/34/1020014534.db2.gz WDNIRCQFAFJTHC-SFHVURJKSA-N 0 3 311.429 3.601 20 30 DHEDHN N#CCOc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000731212093 1020079909 /nfs/dbraw/zinc/07/99/09/1020079909.db2.gz RVIOOTDRDXFONZ-IBGZPJMESA-N 0 3 308.381 3.632 20 30 DHEDHN CC[C@@H](C)[C@H](C)N(CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000154975391 1020172563 /nfs/dbraw/zinc/17/25/63/1020172563.db2.gz USLJXPZWXZVQFD-YPMHNXCESA-N 0 3 317.433 3.606 20 30 DHEDHN C[C@H](C/N=C/c1cc(Cl)ccc1[O-])[N@H+](C)Cc1ccccc1 ZINC000731938601 1020179163 /nfs/dbraw/zinc/17/91/63/1020179163.db2.gz VTUQOUZUDHHOBZ-MQMKENTISA-N 0 3 316.832 3.985 20 30 DHEDHN C[C@H](C/N=C/c1cc(Cl)ccc1[O-])[N@@H+](C)Cc1ccccc1 ZINC000731938601 1020179171 /nfs/dbraw/zinc/17/91/71/1020179171.db2.gz VTUQOUZUDHHOBZ-MQMKENTISA-N 0 3 316.832 3.985 20 30 DHEDHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000186322960 1020235066 /nfs/dbraw/zinc/23/50/66/1020235066.db2.gz OENSCMCEUAZDIO-INIZCTEOSA-N 0 3 316.408 3.903 20 30 DHEDHN COc1cc(CNCc2ccc(C)c(C#N)c2)ccc1SC ZINC000922758733 1020252642 /nfs/dbraw/zinc/25/26/42/1020252642.db2.gz HXAOTIWNUXLLJD-UHFFFAOYSA-N 0 3 312.438 3.887 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCCc3cccnc32)cc1 ZINC000922882937 1020329935 /nfs/dbraw/zinc/32/99/35/1020329935.db2.gz PHZRPRXSSXMJCP-LJQANCHMSA-N 0 3 320.440 3.599 20 30 DHEDHN C=CC[C@H](N[C@H](C)c1ccc([S@@](C)=O)cc1)c1ccncc1 ZINC000766019578 1020447614 /nfs/dbraw/zinc/44/76/14/1020447614.db2.gz MOTONKQJPDGNPL-JVJLVOBOSA-N 0 3 314.454 3.787 20 30 DHEDHN C=CCOCCCN(C)Cc1csc(Br)c1 ZINC000347974427 1020462110 /nfs/dbraw/zinc/46/21/10/1020462110.db2.gz SUUNPKDWNMIDAB-UHFFFAOYSA-N 0 3 304.253 3.535 20 30 DHEDHN C=CC[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000766021997 1020470471 /nfs/dbraw/zinc/47/04/71/1020470471.db2.gz VRGUTIJMBUQKCC-RHSMWYFYSA-N 0 3 310.397 3.821 20 30 DHEDHN C=CCN(CC=C)[C@H](CN[C@H]1CCCc2oc(C)nc21)C(C)C ZINC000924641845 1032904514 /nfs/dbraw/zinc/90/45/14/1032904514.db2.gz DAQZNUCJOGOBCD-DLBZAZTESA-N 0 3 317.477 3.649 20 30 DHEDHN CCCCN(CCC#N)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168654288 1020574138 /nfs/dbraw/zinc/57/41/38/1020574138.db2.gz RSCPFQRRXQLNOK-PKOBYXMFSA-N 0 3 316.445 3.931 20 30 DHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000303593532 1020584822 /nfs/dbraw/zinc/58/48/22/1020584822.db2.gz SSXVMPMNNGYZTE-JXFKEZNVSA-N 0 3 323.440 3.708 20 30 DHEDHN N#CC(C(=O)CCC1CC1)c1nc2ccccc2n1C(F)F ZINC000734706719 1020646591 /nfs/dbraw/zinc/64/65/91/1020646591.db2.gz SMJWDTSHTDNASA-LLVKDONJSA-N 0 3 303.312 3.798 20 30 DHEDHN N#CC(C(=O)C[C@@H]1CCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000734704246 1020647331 /nfs/dbraw/zinc/64/73/31/1020647331.db2.gz NWYVLEJRJOAWPV-GOEBONIOSA-N 0 3 315.376 3.859 20 30 DHEDHN N#CC(C(=O)C[C@H]1CCc2ccccc21)c1nc2ccccc2[nH]1 ZINC000734704256 1020647643 /nfs/dbraw/zinc/64/76/43/1020647643.db2.gz NWYVLEJRJOAWPV-ZBFHGGJFSA-N 0 3 315.376 3.859 20 30 DHEDHN C=CC[C@@H](CC)[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000281510853 1020785860 /nfs/dbraw/zinc/78/58/60/1020785860.db2.gz XJHNULCGNMVWKY-LLVKDONJSA-N 0 3 314.223 3.608 20 30 DHEDHN COc1ccc(F)cc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000613292773 1020892123 /nfs/dbraw/zinc/89/21/23/1020892123.db2.gz WNYKJBBVSRPTOV-OAHLLOKOSA-N 0 3 320.323 3.873 20 30 DHEDHN CCCCCCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000740875065 1020958433 /nfs/dbraw/zinc/95/84/33/1020958433.db2.gz BOSIMUWDRUZFPZ-UHFFFAOYSA-N 0 3 308.491 3.866 20 30 DHEDHN CC(=O)Oc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000178139076 1020959603 /nfs/dbraw/zinc/95/96/03/1020959603.db2.gz LCKMIRGVQVSBBN-UHFFFAOYSA-N 0 3 320.392 3.648 20 30 DHEDHN CC1(C)CO[C@@H](CCC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000892553018 1020985487 /nfs/dbraw/zinc/98/54/87/1020985487.db2.gz HGAVHWPGXOGCRY-QWHCGFSZSA-N 0 3 312.369 3.599 20 30 DHEDHN C[C@@H]1Cc2ccccc2CN1CCCOc1ccc(C#N)cc1 ZINC000741797423 1021055727 /nfs/dbraw/zinc/05/57/27/1021055727.db2.gz MTSQPPGRMUGAOV-MRXNPFEDSA-N 0 3 306.409 3.774 20 30 DHEDHN N#CC(C(=O)c1ccc2ccc(Cl)cc2n1)c1ccccn1 ZINC000176459332 1021130231 /nfs/dbraw/zinc/13/02/31/1021130231.db2.gz GQZBIRAJLDEMGD-CYBMUJFWSA-N 0 3 307.740 3.773 20 30 DHEDHN CCN1CCN(c2ccc(Nc3cccc(F)c3C#N)cc2)CC1 ZINC000742830095 1021171740 /nfs/dbraw/zinc/17/17/40/1021171740.db2.gz JEZYTWRPMBBVPH-UHFFFAOYSA-N 0 3 324.403 3.583 20 30 DHEDHN C[C@@H]1Cc2cc(C(=O)C(C#N)c3nc(C4CC4)cs3)ccc2O1 ZINC000659116536 1021179708 /nfs/dbraw/zinc/17/97/08/1021179708.db2.gz ZZMUBIWOTHIGOC-QMTHXVAHSA-N 0 3 324.405 3.834 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000743261434 1021250068 /nfs/dbraw/zinc/25/00/68/1021250068.db2.gz HMOZEHCBWNPKOF-FQEVSTJZSA-N 0 3 311.425 3.725 20 30 DHEDHN CCOCc1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000743496049 1021312402 /nfs/dbraw/zinc/31/24/02/1021312402.db2.gz MVCUXCDLIAYXGK-HNNXBMFYSA-N 0 3 324.424 3.954 20 30 DHEDHN C=CCCC1(CNC(=O)C[C@H](N)c2ccccc2)CCCC1 ZINC000659334507 1021379772 /nfs/dbraw/zinc/37/97/72/1021379772.db2.gz LQVALVOTSLMKOE-KRWDZBQOSA-N 0 3 300.446 3.719 20 30 DHEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)c1ccco1 ZINC000744064462 1021428039 /nfs/dbraw/zinc/42/80/39/1021428039.db2.gz WUYQZRLVXGIKMZ-YPMHNXCESA-N 0 3 323.377 3.778 20 30 DHEDHN CC(C)(O)c1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000850251571 1021454337 /nfs/dbraw/zinc/45/43/37/1021454337.db2.gz ZZEQEBOWGGAGKB-UHFFFAOYSA-N 0 3 320.436 3.759 20 30 DHEDHN C=CCOc1ccccc1CNC[C@H](O)c1cccc(Cl)c1 ZINC000918197088 1021474108 /nfs/dbraw/zinc/47/41/08/1021474108.db2.gz HGCDBBNYSBYGHQ-KRWDZBQOSA-N 0 3 317.816 3.728 20 30 DHEDHN COC(=O)c1ccc([C@H](C)NCc2ccc(C)c(C#N)c2)c(C)c1 ZINC000926965731 1032982389 /nfs/dbraw/zinc/98/23/89/1032982389.db2.gz SZJFDOPOGNMKQJ-HNNXBMFYSA-N 0 3 322.408 3.813 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCC1=Cc2ccccc2OC1 ZINC000618741177 1021501654 /nfs/dbraw/zinc/50/16/54/1021501654.db2.gz AXQGFDHVAIYKPM-LJQANCHMSA-N 0 3 302.377 3.611 20 30 DHEDHN CCOc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000618742707 1021502487 /nfs/dbraw/zinc/50/24/87/1021502487.db2.gz PURGPASDGBZVOP-SFHVURJKSA-N 0 3 322.408 3.743 20 30 DHEDHN CC[C@@H](CC#N)N[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172092927 1032985194 /nfs/dbraw/zinc/98/51/94/1032985194.db2.gz CHGBSMPFHDHTSP-JONQDZQNSA-N 0 3 321.465 3.589 20 30 DHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000850471506 1021553826 /nfs/dbraw/zinc/55/38/26/1021553826.db2.gz BPBQYODJMRMAJZ-ZDUSSCGKSA-N 0 3 310.372 3.873 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCc3ccc(O)cc32)cc1 ZINC000850544073 1021595216 /nfs/dbraw/zinc/59/52/16/1021595216.db2.gz SWZQVQZZJPETCK-XOBRGWDASA-N 0 3 307.393 3.742 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000850738353 1021632382 /nfs/dbraw/zinc/63/23/82/1021632382.db2.gz KCNHFUAYDAXWQH-RBSFLKMASA-N 0 3 321.424 3.966 20 30 DHEDHN CCCCCCCC[C@@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000850753282 1021640645 /nfs/dbraw/zinc/64/06/45/1021640645.db2.gz XERFPIMQLQXZJX-HZPDHXFCSA-N 0 3 306.450 3.704 20 30 DHEDHN CCCCCCCC[C@@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000850753275 1021640714 /nfs/dbraw/zinc/64/07/14/1021640714.db2.gz XERFPIMQLQXZJX-CVEARBPZSA-N 0 3 306.450 3.704 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850759644 1021641246 /nfs/dbraw/zinc/64/12/46/1021641246.db2.gz LQUZTTZRZRKKBK-MRXNPFEDSA-N 0 3 324.424 3.649 20 30 DHEDHN Cc1ccccc1[C@H](CO)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508454 1021770943 /nfs/dbraw/zinc/77/09/43/1021770943.db2.gz YNHPLZRLLYUQTD-SFTDATJTSA-N 0 3 320.436 3.957 20 30 DHEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@@H]1CCc2cc(C#N)ccc21 ZINC000619611438 1021806949 /nfs/dbraw/zinc/80/69/49/1021806949.db2.gz WDSNOFLQPLQBOQ-MOPGFXCFSA-N 0 3 322.383 3.970 20 30 DHEDHN COc1cc(CNC2(c3ccc(F)cc3)CCC2)ccc1C#N ZINC000619652607 1021820768 /nfs/dbraw/zinc/82/07/68/1021820768.db2.gz OHZFZEGCEJLETN-UHFFFAOYSA-N 0 3 310.372 3.875 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000728711732 1021870955 /nfs/dbraw/zinc/87/09/55/1021870955.db2.gz HTTQSNMVWGFZRA-LBPRGKRZSA-N 0 3 302.324 3.545 20 30 DHEDHN CC(C)(C)O[C@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000155105443 1021924164 /nfs/dbraw/zinc/92/41/64/1021924164.db2.gz VMCPJKOKHSEBMV-QAPCUYQASA-N 0 3 308.381 3.814 20 30 DHEDHN C#CCOCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000851879049 1022026123 /nfs/dbraw/zinc/02/61/23/1022026123.db2.gz GCAXSPPXGQMPCH-QGZVFWFLSA-N 0 3 309.409 3.605 20 30 DHEDHN C#CCOCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000851879049 1022026138 /nfs/dbraw/zinc/02/61/38/1022026138.db2.gz GCAXSPPXGQMPCH-QGZVFWFLSA-N 0 3 309.409 3.605 20 30 DHEDHN C#C[C@](C)(CC)NCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000852101263 1022076420 /nfs/dbraw/zinc/07/64/20/1022076420.db2.gz OISOJXRYZIXJPX-HXUWFJFHSA-N 0 3 306.409 3.830 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)cccc2Cl)CC1 ZINC000132477073 1033027877 /nfs/dbraw/zinc/02/78/77/1033027877.db2.gz NBIUQRRNOMWXEE-UHFFFAOYSA-N 0 3 321.852 3.810 20 30 DHEDHN C=CCN(Cc1cc(Cl)nc2ccccc12)[C@H](C)COC ZINC000852357270 1022112247 /nfs/dbraw/zinc/11/22/47/1022112247.db2.gz ZLSMLRVSADNGSH-CYBMUJFWSA-N 0 3 304.821 3.911 20 30 DHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1cccc(-n2cccn2)c1 ZINC000183571564 1022186322 /nfs/dbraw/zinc/18/63/22/1022186322.db2.gz YWRACUDAOCELNU-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN Fc1ccc(C#CCN2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000153844611 1022255684 /nfs/dbraw/zinc/25/56/84/1022255684.db2.gz NXDJDSULECPALT-HXUWFJFHSA-N 0 3 323.411 3.716 20 30 DHEDHN N#CC(C(=O)Nc1ccccc1)c1nc2cc(F)ccc2s1 ZINC000609627603 1022317727 /nfs/dbraw/zinc/31/77/27/1022317727.db2.gz STWSXLKVRIHSNJ-LBPRGKRZSA-N 0 3 311.341 3.681 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001169540648 1022443546 /nfs/dbraw/zinc/44/35/46/1022443546.db2.gz NPRBDHBBXMFLRT-XKGZKEIXSA-N 0 3 314.473 3.616 20 30 DHEDHN CS[C@@H](C)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000103330566 1022506414 /nfs/dbraw/zinc/50/64/14/1022506414.db2.gz ORVMJZYLOMJBKM-JQWIXIFHSA-N 0 3 302.424 3.738 20 30 DHEDHN CCCC[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC001169754314 1022531143 /nfs/dbraw/zinc/53/11/43/1022531143.db2.gz KAEHVGICDVVJAP-UHFFFAOYSA-N 0 3 324.424 3.945 20 30 DHEDHN CCCC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC001169754314 1022531157 /nfs/dbraw/zinc/53/11/57/1022531157.db2.gz KAEHVGICDVVJAP-UHFFFAOYSA-N 0 3 324.424 3.945 20 30 DHEDHN Cc1cc(C#N)ccc1CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000776789859 1022575673 /nfs/dbraw/zinc/57/56/73/1022575673.db2.gz LJTYIBHROJBQMD-NRFANRHFSA-N 0 3 320.436 3.812 20 30 DHEDHN C#CCOc1ccc(CNCc2cccc3cccnc32)cc1 ZINC000113330615 1022635671 /nfs/dbraw/zinc/63/56/71/1022635671.db2.gz MGJSOHVITJUPLS-UHFFFAOYSA-N 0 3 302.377 3.537 20 30 DHEDHN Cc1ncc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000417361077 1022705298 /nfs/dbraw/zinc/70/52/98/1022705298.db2.gz IJLMTYMDEXPXCC-ORAYPTAESA-N 0 3 306.413 3.693 20 30 DHEDHN C[C@H](N[C@H](CCC#N)c1ccccc1)C1(Br)CC1 ZINC000925602941 1022733862 /nfs/dbraw/zinc/73/38/62/1022733862.db2.gz YFQYRTDEGKBITB-GXTWGEPZSA-N 0 3 307.235 3.937 20 30 DHEDHN CC(C)CCN(C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000053365054 1022851551 /nfs/dbraw/zinc/85/15/51/1022851551.db2.gz CQWWIMDAHMMAFU-LBPRGKRZSA-N 0 3 307.825 3.517 20 30 DHEDHN Cc1nn(C(C)C)cc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418144779 1022975826 /nfs/dbraw/zinc/97/58/26/1022975826.db2.gz LJJDWKNSJZPMOD-IBGZPJMESA-N 0 3 308.429 3.811 20 30 DHEDHN CCCn1nc(C)c(CN[C@@H]2CCCc3cc(C#N)ccc32)c1C ZINC000418146124 1022975916 /nfs/dbraw/zinc/97/59/16/1022975916.db2.gz OVOZQFPCCWEXGB-HXUWFJFHSA-N 0 3 322.456 3.949 20 30 DHEDHN N#Cc1cccc(CN[C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000075943890 1023006655 /nfs/dbraw/zinc/00/66/55/1023006655.db2.gz BYIBCURFFGQMAQ-NRFANRHFSA-N 0 3 319.452 3.875 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1ccc2ccccc2c1 ZINC000876598560 1033100468 /nfs/dbraw/zinc/10/04/68/1033100468.db2.gz NXZIEJJSVVCLLN-KRWDZBQOSA-N 0 3 316.832 3.658 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CCCC)c1ccc(OC)cc1 ZINC000876646304 1033114188 /nfs/dbraw/zinc/11/41/88/1033114188.db2.gz UHPWNPFSNZYHHA-CVEARBPZSA-N 0 3 324.852 3.513 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1c1cccc(C)c1C ZINC000876686355 1033123807 /nfs/dbraw/zinc/12/38/07/1033123807.db2.gz VOTFQHVNPMEVII-IRXDYDNUSA-N 0 3 320.864 3.827 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000876698312 1033125674 /nfs/dbraw/zinc/12/56/74/1033125674.db2.gz OFFPIDHTWAQCBX-HZPDHXFCSA-N 0 3 324.827 3.643 20 30 DHEDHN CO[C@@H](CNCc1cc(C#N)cs1)c1ccccc1Cl ZINC000124970152 1023384029 /nfs/dbraw/zinc/38/40/29/1023384029.db2.gz DBXMQSWZFHESMZ-HNNXBMFYSA-N 0 3 306.818 3.750 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCO[C@H](C(C)C)C2)c([O-])c1 ZINC000771519833 1023448787 /nfs/dbraw/zinc/44/87/87/1023448787.db2.gz IUXPCEYOMXBMTR-DSXZDUDKSA-N 0 3 318.461 3.861 20 30 DHEDHN CC[C@@H](C)N(CC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000661108255 1023484753 /nfs/dbraw/zinc/48/47/53/1023484753.db2.gz XVAOMVCFTIPQDN-OAHLLOKOSA-N 0 3 311.429 3.858 20 30 DHEDHN CC[C@H](C)N(CC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000661108254 1023485049 /nfs/dbraw/zinc/48/50/49/1023485049.db2.gz XVAOMVCFTIPQDN-HNNXBMFYSA-N 0 3 311.429 3.858 20 30 DHEDHN CCCCCCC[C@@H](CC)N1CCC(S(C)(=O)=O)CC1 ZINC001172356832 1033137190 /nfs/dbraw/zinc/13/71/90/1033137190.db2.gz YMIKJQIJEZMBPR-OAHLLOKOSA-N 0 3 303.512 3.635 20 30 DHEDHN C=CC[C@@H]1CC[C@H](NCc2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000651749865 1023514916 /nfs/dbraw/zinc/51/49/16/1023514916.db2.gz LVGGSBHFLNMGPF-YPMHNXCESA-N 0 3 324.350 3.583 20 30 DHEDHN C=CCC[C@@H](O)CN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000661208044 1023525541 /nfs/dbraw/zinc/52/55/41/1023525541.db2.gz FFHRVICYULZXMP-UYAOXDASSA-N 0 3 311.425 3.701 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccnc(SC)c2)cc1 ZINC000772474326 1023558595 /nfs/dbraw/zinc/55/85/95/1023558595.db2.gz ZZWAAOJUWRUEGV-AWEZNQCLSA-N 0 3 312.438 3.666 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccco2)cc1 ZINC000772639631 1023575748 /nfs/dbraw/zinc/57/57/48/1023575748.db2.gz JCRBDNFIVJBMIN-GUYCJALGSA-N 0 3 324.380 3.683 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccco2)cc1 ZINC000772639629 1023576001 /nfs/dbraw/zinc/57/60/01/1023576001.db2.gz JCRBDNFIVJBMIN-DYVFJYSZSA-N 0 3 324.380 3.683 20 30 DHEDHN N#Cc1ccccc1COC(=O)c1cccc(CN2CCCC2)c1 ZINC000785714711 1023611822 /nfs/dbraw/zinc/61/18/22/1023611822.db2.gz QWSMYPOOEQKJSY-UHFFFAOYSA-N 0 3 320.392 3.511 20 30 DHEDHN C=C[C@@H]1CCCCN1CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000785998690 1023650778 /nfs/dbraw/zinc/65/07/78/1023650778.db2.gz KNKIICRHVRHJHZ-OAHLLOKOSA-N 0 3 313.397 3.521 20 30 DHEDHN CSC1(C(=O)C(C#N)c2nc3ccccc3s2)CCC1 ZINC000786279531 1023675009 /nfs/dbraw/zinc/67/50/09/1023675009.db2.gz TZMCNLLUHUTMFA-SNVBAGLBSA-N 0 3 302.424 3.758 20 30 DHEDHN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000786447158 1023696366 /nfs/dbraw/zinc/69/63/66/1023696366.db2.gz UAGHSCAECJNHNH-INIZCTEOSA-N 0 3 315.461 3.512 20 30 DHEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@H](C)CCCC(C)C ZINC001170083264 1023864449 /nfs/dbraw/zinc/86/44/49/1023864449.db2.gz OGOSLRHQZRRPNW-SJLPKXTDSA-N 0 3 319.493 3.737 20 30 DHEDHN C#CCC1(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CCCCC1 ZINC000788234197 1023867946 /nfs/dbraw/zinc/86/79/46/1023867946.db2.gz FNGICEFAGTZMJB-RTBURBONSA-N 0 3 324.468 3.522 20 30 DHEDHN C=CC[C@H](CC)N[C@@H](C)c1nc(Br)ccc1F ZINC000788813830 1023944912 /nfs/dbraw/zinc/94/49/12/1023944912.db2.gz JGRRSGCGEBLEJR-UWVGGRQHSA-N 0 3 301.203 3.989 20 30 DHEDHN C=CC[C@@H](CC)N[C@H](C)c1nc(Br)ccc1F ZINC000788813829 1023945007 /nfs/dbraw/zinc/94/50/07/1023945007.db2.gz JGRRSGCGEBLEJR-NXEZZACHSA-N 0 3 301.203 3.989 20 30 DHEDHN C[C@H](NCc1ccc(-c2cnn(C)c2)s1)c1ccc(C#N)cc1 ZINC000337781774 1033175303 /nfs/dbraw/zinc/17/53/03/1033175303.db2.gz BOGRPZMTBQGOLZ-ZDUSSCGKSA-N 0 3 322.437 3.871 20 30 DHEDHN CCCN(CC(=O)Nc1ccccc1SCC#N)CC(C)C ZINC000266641308 1024041117 /nfs/dbraw/zinc/04/11/17/1024041117.db2.gz AYRAEFBEXSZGRN-UHFFFAOYSA-N 0 3 319.474 3.609 20 30 DHEDHN CN(C)Cc1ccc(-c2noc(C3(C#N)CCCCC3)n2)cc1 ZINC000267135536 1024049473 /nfs/dbraw/zinc/04/94/73/1024049473.db2.gz WQOFDAQZZYYGGY-UHFFFAOYSA-N 0 3 310.401 3.524 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000876941114 1033187123 /nfs/dbraw/zinc/18/71/23/1033187123.db2.gz IBMDNTGYEBTGMV-DLBZAZTESA-N 0 3 320.864 3.943 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000268633907 1024134833 /nfs/dbraw/zinc/13/48/33/1024134833.db2.gz LARKJLINJFTOLU-HIFRSBDPSA-N 0 3 302.443 3.760 20 30 DHEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000268633912 1024135668 /nfs/dbraw/zinc/13/56/68/1024135668.db2.gz LARKJLINJFTOLU-ZFWWWQNUSA-N 0 3 302.443 3.760 20 30 DHEDHN N#Cc1cccc(OCCCN2CCC[C@@H]2c2ccccn2)c1 ZINC000531658526 1024258890 /nfs/dbraw/zinc/25/88/90/1024258890.db2.gz DLQUIEMMXSXQOB-LJQANCHMSA-N 0 3 307.397 3.559 20 30 DHEDHN CCCCC(=O)C(C#N)C(=O)Nc1ccc(CCCC)cc1 ZINC000128618290 1024262224 /nfs/dbraw/zinc/26/22/24/1024262224.db2.gz YFNQBJAOSXNHHE-INIZCTEOSA-N 0 3 300.402 3.867 20 30 DHEDHN CC(C)(C)c1csc(CCNCc2ccc(C#N)cc2F)n1 ZINC000269408816 1024277130 /nfs/dbraw/zinc/27/71/30/1024277130.db2.gz IQFJYISEJHBWRT-UHFFFAOYSA-N 0 3 317.433 3.784 20 30 DHEDHN C#CCCCCCCN[C@@H](CC)c1nnc2n1CCCCC2 ZINC000876996558 1033202563 /nfs/dbraw/zinc/20/25/63/1033202563.db2.gz ZNTLJFNJCJBRMR-INIZCTEOSA-N 0 3 302.466 3.629 20 30 DHEDHN CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(C#N)cc1F ZINC000271546581 1024537017 /nfs/dbraw/zinc/53/70/17/1024537017.db2.gz UAQAFEYBLUSVRV-KPZWWZAWSA-N 0 3 316.351 3.702 20 30 DHEDHN CCC(C)(C)OCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000453619474 1024555523 /nfs/dbraw/zinc/55/55/23/1024555523.db2.gz UPLCDJLERZCMOJ-UHFFFAOYSA-N 0 3 314.351 3.872 20 30 DHEDHN CC(C)OC(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000271641546 1024555817 /nfs/dbraw/zinc/55/58/17/1024555817.db2.gz HAFFYUZVPNECQF-OAHLLOKOSA-N 0 3 322.408 3.974 20 30 DHEDHN Cc1ccc(C[C@H](C)NCc2cc(C#N)cnc2Cl)s1 ZINC000877051984 1033220141 /nfs/dbraw/zinc/22/01/41/1033220141.db2.gz PXVOQRGKIWHJFK-JTQLQIEISA-N 0 3 305.834 3.697 20 30 DHEDHN C=CCNC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC001202571358 1024574576 /nfs/dbraw/zinc/57/45/76/1024574576.db2.gz IJPHYUHJVPYQRK-KRWDZBQOSA-N 0 3 321.424 3.571 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccccc3s2)CC1 ZINC000106039021 1024592194 /nfs/dbraw/zinc/59/21/94/1024592194.db2.gz RTQHKHUIWAMOEQ-UHFFFAOYSA-N 0 3 314.454 3.672 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2oc3ccccc3c2C)CC1 ZINC000106038643 1024592256 /nfs/dbraw/zinc/59/22/56/1024592256.db2.gz SPZPPYXOGLJQEE-UHFFFAOYSA-N 0 3 312.413 3.512 20 30 DHEDHN N#Cc1ccc2ncc(CN[C@@H](CC3CC3)c3ccccc3)n2c1 ZINC000585766643 1024605505 /nfs/dbraw/zinc/60/55/05/1024605505.db2.gz ZFWASBYFMRTUDL-IBGZPJMESA-N 0 3 316.408 3.837 20 30 DHEDHN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H](C)CCCC#N ZINC001172496773 1033225831 /nfs/dbraw/zinc/22/58/31/1033225831.db2.gz QLJOHBNGIWEDKM-CVEARBPZSA-N 0 3 323.481 3.646 20 30 DHEDHN CCS[C@@H]1CCCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877079460 1033231122 /nfs/dbraw/zinc/23/11/22/1033231122.db2.gz ZCZBISSPNRSDMS-ZIAGYGMSSA-N 0 3 309.866 3.761 20 30 DHEDHN C[C@@H](CCCC#N)N1CCN(c2nc3ccccc3s2)CC1 ZINC001172507806 1033238697 /nfs/dbraw/zinc/23/86/97/1033238697.db2.gz YRGBCKZSJBODFX-AWEZNQCLSA-N 0 3 314.458 3.501 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1C ZINC000897417305 1024788305 /nfs/dbraw/zinc/78/83/05/1024788305.db2.gz JFCMIARVPVLJQU-CQSZACIVSA-N 0 3 310.397 3.735 20 30 DHEDHN CCC(CC)[C@@H](CCNCc1cc(C#N)cnc1Cl)OC ZINC000877117038 1033244317 /nfs/dbraw/zinc/24/43/17/1033244317.db2.gz ZTDDRJYHVNFSKA-OAHLLOKOSA-N 0 3 309.841 3.538 20 30 DHEDHN C#CCCOc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000793232011 1024945591 /nfs/dbraw/zinc/94/55/91/1024945591.db2.gz UJPNEDQCAGLYSE-XJKSGUPXSA-N 0 3 311.347 3.861 20 30 DHEDHN CCOCc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353382600 1025045953 /nfs/dbraw/zinc/04/59/53/1025045953.db2.gz HYWVMRLHRVVVNC-HXUWFJFHSA-N 0 3 306.409 3.872 20 30 DHEDHN C=CCSc1ccccc1C(=O)NC[C@H](C)N1CCCCC1 ZINC000777128232 1033251785 /nfs/dbraw/zinc/25/17/85/1033251785.db2.gz MJKLJNLOTXAGKX-HNNXBMFYSA-N 0 3 318.486 3.569 20 30 DHEDHN COc1cc(CN[C@@H](c2cccnc2)C2CCC2)ccc1C#N ZINC000353625768 1025163495 /nfs/dbraw/zinc/16/34/95/1025163495.db2.gz GQYYQWOMWIVKLJ-LJQANCHMSA-N 0 3 307.397 3.593 20 30 DHEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)C12CCCCC2 ZINC000353668688 1025192648 /nfs/dbraw/zinc/19/26/48/1025192648.db2.gz ZHYKQBUCOYWHOR-IAGOWNOFSA-N 0 3 302.418 3.711 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(Cl)ccc1OCC1CC1 ZINC001170442478 1025218644 /nfs/dbraw/zinc/21/86/44/1025218644.db2.gz FVJGHGLLIVBUOU-SJORKVTESA-N 0 3 321.848 3.952 20 30 DHEDHN C=CCC[C@@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccco1 ZINC000796960499 1025235271 /nfs/dbraw/zinc/23/52/71/1025235271.db2.gz FAFZGZLOTXFTAF-UONOGXRCSA-N 0 3 308.422 3.790 20 30 DHEDHN C[C@H]1CN(c2ccccc2F)CCN1CCCC(C)(C)C#N ZINC000191622976 1025244780 /nfs/dbraw/zinc/24/47/80/1025244780.db2.gz CPDBYNSRYPULCA-HNNXBMFYSA-N 0 3 303.425 3.666 20 30 DHEDHN Cc1cc(CN[C@@H](c2ccccc2)C2(CO)CCC2)ccc1C#N ZINC000354008003 1025319447 /nfs/dbraw/zinc/31/94/47/1025319447.db2.gz HBNNCZZOTKRPHU-FQEVSTJZSA-N 0 3 320.436 3.860 20 30 DHEDHN N#Cc1ccc(CN(Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000053221272 1025341071 /nfs/dbraw/zinc/34/10/71/1025341071.db2.gz BXRMJLBNLNOBCW-HXUWFJFHSA-N 0 3 306.409 3.739 20 30 DHEDHN N#CC1(C[C@H](O)CN2CCC[C@@H]2c2ccccc2Cl)CCC1 ZINC000885961062 1025419487 /nfs/dbraw/zinc/41/94/87/1025419487.db2.gz TZJSAAGVXRRBRJ-WMLDXEAASA-N 0 3 318.848 3.922 20 30 DHEDHN C=CCCCCCN1CCCC[C@@]12CC(=O)N(CCCC)C2 ZINC001275324885 1025432366 /nfs/dbraw/zinc/43/23/66/1025432366.db2.gz JJDVWRXAYWDATM-IBGZPJMESA-N 0 3 306.494 3.990 20 30 DHEDHN C=CCCCCCCN1CCCC[C@@]12CC(=O)N(CC=C)C2 ZINC001275329043 1025438411 /nfs/dbraw/zinc/43/84/11/1025438411.db2.gz KQFBMYXOHXPKIN-IBGZPJMESA-N 0 3 304.478 3.766 20 30 DHEDHN CC[C@H](C)N[C@@H](CNc1nc(Cl)c(C#N)s1)c1ccco1 ZINC000804783605 1025480796 /nfs/dbraw/zinc/48/07/96/1025480796.db2.gz SYTQLWYTHSMXJR-UWVGGRQHSA-N 0 3 324.837 3.802 20 30 DHEDHN N#Cc1ccc(OCCCN2CCC[C@@H]2c2cccnc2)cc1 ZINC000805746591 1025668902 /nfs/dbraw/zinc/66/89/02/1025668902.db2.gz BSGWXHMJOSNUEJ-LJQANCHMSA-N 0 3 307.397 3.559 20 30 DHEDHN N#CCCCCCC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000805914113 1025709063 /nfs/dbraw/zinc/70/90/63/1025709063.db2.gz AOROXZSXKAGAKW-SFHVURJKSA-N 0 3 314.429 3.668 20 30 DHEDHN CN(C)Cc1ccc(-c2noc(-c3cccc(CC#N)c3)n2)cc1 ZINC000355573075 1025770747 /nfs/dbraw/zinc/77/07/47/1025770747.db2.gz IDEIJVFPACLSAO-UHFFFAOYSA-N 0 3 318.380 3.531 20 30 DHEDHN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171625 1025802558 /nfs/dbraw/zinc/80/25/58/1025802558.db2.gz VJACCSZEGFZUJQ-LJQANCHMSA-N 0 3 322.456 3.867 20 30 DHEDHN CN(CCCSCC#N)Cc1ccc(Br)s1 ZINC000074980997 1025830557 /nfs/dbraw/zinc/83/05/57/1025830557.db2.gz WXZMCXFZBROWAT-UHFFFAOYSA-N 0 3 319.293 3.589 20 30 DHEDHN C=CCCC1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000356157145 1025968474 /nfs/dbraw/zinc/96/84/74/1025968474.db2.gz LXFGVHUBDZCBJJ-GOSISDBHSA-N 0 3 312.457 3.514 20 30 DHEDHN C=CCCC1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000356157148 1025968820 /nfs/dbraw/zinc/96/88/20/1025968820.db2.gz LXFGVHUBDZCBJJ-SFHVURJKSA-N 0 3 312.457 3.514 20 30 DHEDHN COc1cc(F)c([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000249001353 1026135778 /nfs/dbraw/zinc/13/57/78/1026135778.db2.gz QRRGQNLFTVOVOF-YNEHKIRRSA-N 0 3 306.381 3.576 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000106340953 1026220208 /nfs/dbraw/zinc/22/02/08/1026220208.db2.gz AHJPWALSGDECLA-QGZVFWFLSA-N 0 3 321.509 3.637 20 30 DHEDHN C=CCc1cc(C[N@@H+]2CCC[C@H](C3CC3)C2)c([O-])c(OC)c1 ZINC000808230954 1026232469 /nfs/dbraw/zinc/23/24/69/1026232469.db2.gz UPVDUJAKAKJFSI-INIZCTEOSA-N 0 3 301.430 3.751 20 30 DHEDHN C=CCc1cc(C[N@H+]2CCC[C@H](C3CC3)C2)c([O-])c(OC)c1 ZINC000808230954 1026232477 /nfs/dbraw/zinc/23/24/77/1026232477.db2.gz UPVDUJAKAKJFSI-INIZCTEOSA-N 0 3 301.430 3.751 20 30 DHEDHN COC(=O)[C@@H]1CC[C@@H](N(CCC#N)C2CCCCCCC2)C1 ZINC001170551704 1026275879 /nfs/dbraw/zinc/27/58/79/1026275879.db2.gz WVFIRTIPDLTYKO-NVXWUHKLSA-N 0 3 306.450 3.657 20 30 DHEDHN C=CC[C@H](NCc1ccc(OC)c(OC)c1C)c1ccncc1 ZINC000808389327 1026277221 /nfs/dbraw/zinc/27/72/21/1026277221.db2.gz QNFHJSOXDVJYSF-KRWDZBQOSA-N 0 3 312.413 3.814 20 30 DHEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000614397201 1026292195 /nfs/dbraw/zinc/29/21/95/1026292195.db2.gz AUWNYSDQSLUKTC-GOSISDBHSA-N 0 3 320.392 3.933 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)CCC#N ZINC000808430377 1026301033 /nfs/dbraw/zinc/30/10/33/1026301033.db2.gz OPULNNDFVNQDRP-UHFFFAOYSA-N 0 3 304.821 3.772 20 30 DHEDHN CCCN(CCC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747524346 1026374820 /nfs/dbraw/zinc/37/48/20/1026374820.db2.gz IRLMUSMTHDONTE-UHFFFAOYSA-N 0 3 315.461 3.672 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC000809592733 1026566774 /nfs/dbraw/zinc/56/67/74/1026566774.db2.gz IZIRZHIBXMNNPA-GOSISDBHSA-N 0 3 313.441 3.612 20 30 DHEDHN C#C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000809683492 1026591814 /nfs/dbraw/zinc/59/18/14/1026591814.db2.gz DHSMQEPTZAJTGR-AWEZNQCLSA-N 0 3 305.381 3.552 20 30 DHEDHN CCN(Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H](C)c1cccnc1 ZINC000809763994 1026620204 /nfs/dbraw/zinc/62/02/04/1026620204.db2.gz BWUPJGBKLWCWPF-HOTGVXAUSA-N 0 3 309.413 3.956 20 30 DHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc([S@@](C)=O)cc1 ZINC000618804488 1026832969 /nfs/dbraw/zinc/83/29/69/1026832969.db2.gz ASSSBAFFHUZCOZ-DOYUUMQYSA-N 0 3 324.449 3.634 20 30 DHEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1cccc(C2CC2)c1 ZINC000572351925 1027193460 /nfs/dbraw/zinc/19/34/60/1027193460.db2.gz XNJAOIWBJHUSPW-AWEZNQCLSA-N 0 3 316.408 3.934 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000562049060 1027201973 /nfs/dbraw/zinc/20/19/73/1027201973.db2.gz DYOUQUSWWLKJTP-OAHLLOKOSA-N 0 3 306.837 3.991 20 30 DHEDHN C=C(C)CN(CC)Cc1cc2c(c(Br)c1)OCO2 ZINC000513785414 1027275256 /nfs/dbraw/zinc/27/52/56/1027275256.db2.gz LWXPETONYGUFKC-UHFFFAOYSA-N 0 3 312.207 3.576 20 30 DHEDHN N#CC1(CNCC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000562205524 1027292442 /nfs/dbraw/zinc/29/24/42/1027292442.db2.gz QBIJPFXEAFPEBM-UHFFFAOYSA-N 0 3 304.437 3.981 20 30 DHEDHN C#C[C@H](N[C@H]1CCc2c(cccc2OC)C1)c1ccc(F)cc1 ZINC000812792207 1027419017 /nfs/dbraw/zinc/41/90/17/1027419017.db2.gz PSPMVKIJHFNLOS-HKUYNNGSSA-N 0 3 309.384 3.656 20 30 DHEDHN CCN(Cc1cc(C#N)ccc1OC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849785 1027446840 /nfs/dbraw/zinc/44/68/40/1027446840.db2.gz JPHFFJRGEPYOOG-FOIQADDNSA-N 0 3 324.424 3.511 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1F)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812854721 1027452314 /nfs/dbraw/zinc/45/23/14/1027452314.db2.gz VYRDQSKZZBPDCX-IFXJQAMLSA-N 0 3 312.388 3.641 20 30 DHEDHN COc1cc(C)c(CN(C)Cc2ccc(C#N)c(C)c2)cc1OC ZINC000362969290 1027474600 /nfs/dbraw/zinc/47/46/00/1027474600.db2.gz KHYAJKLTERXWJN-UHFFFAOYSA-N 0 3 324.424 3.824 20 30 DHEDHN C=CC1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000600679942 1027783458 /nfs/dbraw/zinc/78/34/58/1027783458.db2.gz KYHJATKNBHYRBH-IBGZPJMESA-N 0 3 312.457 3.638 20 30 DHEDHN O=C1C=COC2(CCN([C@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000933648638 1027786155 /nfs/dbraw/zinc/78/61/55/1027786155.db2.gz DUOQBDUXVYXWKB-SFHVURJKSA-N 0 3 315.388 3.541 20 30 DHEDHN O=C1C=COC2(CCN(Cc3csc4ccccc34)CC2)C1 ZINC000933652569 1027788358 /nfs/dbraw/zinc/78/83/58/1027788358.db2.gz PPICJZUGSSGZFM-UHFFFAOYSA-N 0 3 313.422 3.739 20 30 DHEDHN CC(C)Cc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933653482 1027789501 /nfs/dbraw/zinc/78/95/01/1027789501.db2.gz XNXCXGUTUSUDRT-UHFFFAOYSA-N 0 3 313.441 3.723 20 30 DHEDHN CN(CCc1nsc2ccccc21)Cc1cc(C#N)cs1 ZINC000933770334 1027822140 /nfs/dbraw/zinc/82/21/40/1027822140.db2.gz JFKMUNMKAVNKLQ-UHFFFAOYSA-N 0 3 313.451 3.904 20 30 DHEDHN C=CCN1CCC2(CCN(Cc3ccccc3C3CC3)CC2)C1=O ZINC001276005258 1028030727 /nfs/dbraw/zinc/03/07/27/1028030727.db2.gz PLTOVHLUKWOAFZ-UHFFFAOYSA-N 0 3 324.468 3.565 20 30 DHEDHN CC[C@]1(CNCc2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000578053607 1028032459 /nfs/dbraw/zinc/03/24/59/1028032459.db2.gz QXOIJUKZCQEIIX-HXUWFJFHSA-N 0 3 324.399 3.665 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cnn(CC2CCC2)c1 ZINC000934561730 1028037573 /nfs/dbraw/zinc/03/75/73/1028037573.db2.gz HTTOORHJSUAYGL-OAHLLOKOSA-N 0 3 308.429 3.600 20 30 DHEDHN COc1ccc2c(c1)CC[C@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000601280607 1028058850 /nfs/dbraw/zinc/05/88/50/1028058850.db2.gz QLZFWDMNFVVVLK-GOSISDBHSA-N 0 3 312.800 3.997 20 30 DHEDHN CSCC(C)(C)NCc1cc(C#N)ccc1Br ZINC000934665915 1028066642 /nfs/dbraw/zinc/06/66/42/1028066642.db2.gz BZFOQQYPWKIDMN-UHFFFAOYSA-N 0 3 313.264 3.552 20 30 DHEDHN COc1cc2c(cc1OC)[C@@H](NCc1ccc(CC#N)cc1)CC2 ZINC000578357815 1028129395 /nfs/dbraw/zinc/12/93/95/1028129395.db2.gz JYOATUXTSOVDGM-SFHVURJKSA-N 0 3 322.408 3.547 20 30 DHEDHN CC1(C#N)CCC(NCc2nc(C(F)(F)F)cs2)CC1 ZINC000449161965 1028421350 /nfs/dbraw/zinc/42/13/50/1028421350.db2.gz HOAUQGNAVBKLQI-UHFFFAOYSA-N 0 3 303.353 3.724 20 30 DHEDHN CC1(C#N)CCC(N[C@@H](CO)c2cccc(Cl)c2F)CC1 ZINC000449307067 1028526961 /nfs/dbraw/zinc/52/69/61/1028526961.db2.gz YNBXBLIZTCKBMO-WMEQCIOUSA-N 0 3 310.800 3.575 20 30 DHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000075755682 1028531902 /nfs/dbraw/zinc/53/19/02/1028531902.db2.gz LYFQZBRWIOQVJS-OAHLLOKOSA-N 0 3 322.408 3.982 20 30 DHEDHN Cc1ccccc1O[C@H]1CCCC[C@H]1NCc1ccc(C#N)cn1 ZINC000565488475 1028594140 /nfs/dbraw/zinc/59/41/40/1028594140.db2.gz MCGCIZNZSHINQT-QUCCMNQESA-N 0 3 321.424 3.742 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN1CCCC[C@@H](COC)C1 ZINC000779170629 1028601365 /nfs/dbraw/zinc/60/13/65/1028601365.db2.gz DOKFJWINOBAGPG-OAHLLOKOSA-N 0 3 321.848 3.601 20 30 DHEDHN C=CCC[C@@H](O)CN(C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000370488774 1028609715 /nfs/dbraw/zinc/60/97/15/1028609715.db2.gz SKPZGMJPNQQWCW-QUCCMNQESA-N 0 3 310.441 3.738 20 30 DHEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(Br)cc1F ZINC000565924730 1028652970 /nfs/dbraw/zinc/65/29/70/1028652970.db2.gz WTJRYMDKVJBIBS-JQWIXIFHSA-N 0 3 316.214 3.566 20 30 DHEDHN C[C@@H](C(=O)C(C#N)c1ncc(C(C)(C)C)s1)C(C)(F)F ZINC000816067893 1028716292 /nfs/dbraw/zinc/71/62/92/1028716292.db2.gz CORYHMAAZRQIMB-IUCAKERBSA-N 0 3 300.374 3.908 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2cc(Cl)c(Cl)n2C)n1 ZINC000041515758 1028741794 /nfs/dbraw/zinc/74/17/94/1028741794.db2.gz OBYJONLJPFGJRB-SSDOTTSWSA-N 0 3 314.197 3.587 20 30 DHEDHN COc1ccccc1CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000041547623 1028751016 /nfs/dbraw/zinc/75/10/16/1028751016.db2.gz BTJXBSMSAQUDKE-AWEZNQCLSA-N 0 3 320.348 3.645 20 30 DHEDHN Cc1cc(CN[C@@H]2CCCN(C)c3ccccc32)ccc1C#N ZINC000449647154 1028877695 /nfs/dbraw/zinc/87/76/95/1028877695.db2.gz CWMNCSZASPUKLI-LJQANCHMSA-N 0 3 305.425 3.928 20 30 DHEDHN CC(C)c1ccc(C2(O)CCC(NC[C@H](C)C#N)CC2)cc1 ZINC000816568486 1028948977 /nfs/dbraw/zinc/94/89/77/1028948977.db2.gz IARNAGKQBRFNMU-VNCLNFNDSA-N 0 3 300.446 3.689 20 30 DHEDHN CCCOc1ccc(CN2CCC(CCC#N)CC2)cc1OC ZINC000567905221 1028972735 /nfs/dbraw/zinc/97/27/35/1028972735.db2.gz LDFNRXMCFVYCBZ-UHFFFAOYSA-N 0 3 316.445 4.000 20 30 DHEDHN Cc1cc(C)nc(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000373752290 1029127745 /nfs/dbraw/zinc/12/77/45/1029127745.db2.gz CJKGUOKSECEJJG-INIZCTEOSA-N 0 3 320.440 3.906 20 30 DHEDHN COc1ccc([C@H](CCO)NCCC2(C#N)CCCCC2)cc1 ZINC000411460992 1029134491 /nfs/dbraw/zinc/13/44/91/1029134491.db2.gz PJYDFHXBNARYIA-SFHVURJKSA-N 0 3 316.445 3.572 20 30 DHEDHN C[C@@H]1C[C@]2(CCO1)CN(CCC1(C#N)CCCCC1)C[C@H](C)O2 ZINC000411679886 1029182443 /nfs/dbraw/zinc/18/24/43/1029182443.db2.gz MZXQZAMFASNZFS-ZIFCJYIRSA-N 0 3 320.477 3.509 20 30 DHEDHN N#CC1(CCN2CCC[C@](O)(C(F)(F)F)CC2)CCCCC1 ZINC000411716291 1029187729 /nfs/dbraw/zinc/18/77/29/1029187729.db2.gz FUDCDEAJIMGDHV-OAHLLOKOSA-N 0 3 318.383 3.630 20 30 DHEDHN C=CC[C@@H](C)N[C@@H](c1nc(Br)cs1)C1CC1 ZINC000817582460 1029209265 /nfs/dbraw/zinc/20/92/65/1029209265.db2.gz YCZBDEMXBOCIMR-LDYMZIIASA-N 0 3 301.253 3.911 20 30 DHEDHN C#CCOc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000190962270 1029228276 /nfs/dbraw/zinc/22/82/76/1029228276.db2.gz PYVZCSGOQGUSIX-OXJNMPFZSA-N 0 3 306.409 3.677 20 30 DHEDHN COc1cc(CNC/C=C\c2ccc(F)cc2F)ccc1C#N ZINC000569651768 1029243844 /nfs/dbraw/zinc/24/38/44/1029243844.db2.gz QTIKJAOJJUNNJA-IHWYPQMZSA-N 0 3 314.335 3.648 20 30 DHEDHN COc1ccccc1/C=C/CNC1(c2cccc(C#N)c2)CC1 ZINC000569948691 1029291533 /nfs/dbraw/zinc/29/15/33/1029291533.db2.gz YHFQASBDPSFILX-VMPITWQZSA-N 0 3 304.393 3.859 20 30 DHEDHN C[C@H]1CN(CCCCNc2cccc(Cl)c2C#N)C[C@H](C)O1 ZINC000450380250 1029421631 /nfs/dbraw/zinc/42/16/31/1029421631.db2.gz REROUGHBHUTJEK-KBPBESRZSA-N 0 3 321.852 3.513 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](O)c2ccccc2C1 ZINC000374812196 1029463268 /nfs/dbraw/zinc/46/32/68/1029463268.db2.gz ZYGRNFXPBQNBGN-FQEVSTJZSA-N 0 3 320.436 3.927 20 30 DHEDHN COc1cccc([C@@H]2CN(Cc3ccc(C#N)o3)CC2(C)C)c1 ZINC000529639015 1029472942 /nfs/dbraw/zinc/47/29/42/1029472942.db2.gz IQENRRWRZVTSPI-SFHVURJKSA-N 0 3 310.397 3.785 20 30 DHEDHN N#CCCCCN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451567129 1029921441 /nfs/dbraw/zinc/92/14/41/1029921441.db2.gz KWDOMWFTDXYAAM-CQSZACIVSA-N 0 3 307.235 3.932 20 30 DHEDHN CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000822526805 1030043935 /nfs/dbraw/zinc/04/39/35/1030043935.db2.gz YEEWELXNPPEJIK-AWEZNQCLSA-N 0 3 310.397 3.856 20 30 DHEDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000822526805 1030043949 /nfs/dbraw/zinc/04/39/49/1030043949.db2.gz YEEWELXNPPEJIK-AWEZNQCLSA-N 0 3 310.397 3.856 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2cc3cnccc3o2)cc1 ZINC000865855086 1030062582 /nfs/dbraw/zinc/06/25/82/1030062582.db2.gz VBVPWEFOASRYHU-KGLIPLIRSA-N 0 3 321.380 3.969 20 30 DHEDHN CC(C)(C)C[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000452083890 1030123047 /nfs/dbraw/zinc/12/30/47/1030123047.db2.gz UORISIQXIVJIQF-OAHLLOKOSA-N 0 3 324.428 3.866 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000924799267 1030192017 /nfs/dbraw/zinc/19/20/17/1030192017.db2.gz MIJOAYVPTANJIE-GJZGRUSLSA-N 0 3 313.445 3.792 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000925490350 1030375123 /nfs/dbraw/zinc/37/51/23/1030375123.db2.gz SXBCSUGUTMWIHD-ZDUSSCGKSA-N 0 3 308.347 3.975 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000925490349 1030375404 /nfs/dbraw/zinc/37/54/04/1030375404.db2.gz SXBCSUGUTMWIHD-CYBMUJFWSA-N 0 3 308.347 3.975 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000533513408 1030398696 /nfs/dbraw/zinc/39/86/96/1030398696.db2.gz BKONCTTYQLASRB-LPHOPBHVSA-N 0 3 314.473 3.931 20 30 DHEDHN CN(C)Cc1ccccc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000558137886 1030435372 /nfs/dbraw/zinc/43/53/72/1030435372.db2.gz HDBFGHBFKLOMLT-UHFFFAOYSA-N 0 3 319.408 3.556 20 30 DHEDHN COc1cc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000558275721 1030511328 /nfs/dbraw/zinc/51/13/28/1030511328.db2.gz MJUXJVLIAYDKFO-ACJLOTCBSA-N 0 3 307.397 3.690 20 30 DHEDHN C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358562503 1030536631 /nfs/dbraw/zinc/53/66/31/1030536631.db2.gz GXSOZIMIEZZAJY-CRAIPNDOSA-N 0 3 323.415 3.622 20 30 DHEDHN C#CCN(Cc1cncc(Br)c1C)C1CCCC1 ZINC000824902587 1030664149 /nfs/dbraw/zinc/66/41/49/1030664149.db2.gz ZBPWZVJAZBEKSU-UHFFFAOYSA-N 0 3 307.235 3.530 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCN(C)c3ccccc32)cc1C#N ZINC000825112399 1030728905 /nfs/dbraw/zinc/72/89/05/1030728905.db2.gz SVNCUKAAIJTSPR-GOSISDBHSA-N 0 3 321.424 3.628 20 30 DHEDHN C=CC[C@H](CC)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558941597 1030953969 /nfs/dbraw/zinc/95/39/69/1030953969.db2.gz UJCZXJMABLNJQF-HOTGVXAUSA-N 0 3 323.868 3.597 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccc(C#N)c(F)c1 ZINC000926918205 1030991778 /nfs/dbraw/zinc/99/17/78/1030991778.db2.gz HIEAGIBXTKBCJK-STQMWFEESA-N 0 3 310.372 3.872 20 30 DHEDHN COCCOc1ccc([C@H](C)NCc2ccc(C)c(C#N)c2)cc1 ZINC000926967361 1031018377 /nfs/dbraw/zinc/01/83/77/1031018377.db2.gz RLFVMRFZBZUGKT-INIZCTEOSA-N 0 3 324.424 3.743 20 30 DHEDHN C=CCC[C@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccco1 ZINC000927016449 1031036088 /nfs/dbraw/zinc/03/60/88/1031036088.db2.gz TZRRMOLYURWJQK-HOTGVXAUSA-N 0 3 305.418 3.605 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000359841766 1031159578 /nfs/dbraw/zinc/15/95/78/1031159578.db2.gz PBZLAYCJQIYVML-APWZRJJASA-N 0 3 312.457 3.534 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2csc3ccccc23)CC1 ZINC000272351964 1031272222 /nfs/dbraw/zinc/27/22/22/1031272222.db2.gz DELABSVQLHYHCR-UHFFFAOYSA-N 0 3 315.442 3.673 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(-n2cccc2)cc1 ZINC001144247294 1031369729 /nfs/dbraw/zinc/36/97/29/1031369729.db2.gz VXPDRCYMLQRAEF-UHFFFAOYSA-N 0 3 301.393 3.981 20 30 DHEDHN COc1c(F)cc(F)cc1CN[C@H](C)Cc1cccc(C#N)c1 ZINC001171176911 1031545878 /nfs/dbraw/zinc/54/58/78/1031545878.db2.gz XJUDXVYRMGITMW-GFCCVEGCSA-N 0 3 316.351 3.566 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)n1c2ccccc2nc1[C@H](C)N ZINC001171179360 1031575144 /nfs/dbraw/zinc/57/51/44/1031575144.db2.gz RPQHTCAQPXLENC-KGLIPLIRSA-N 0 3 304.397 3.731 20 30 DHEDHN CN(C)c1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000360829561 1031577293 /nfs/dbraw/zinc/57/72/93/1031577293.db2.gz BMMBSLBMWQWEEU-IBGZPJMESA-N 0 3 320.440 3.577 20 30 DHEDHN COc1ccc2ccc(O)c(CN(C)[C@@H]3CCC[C@@H]3C#N)c2c1 ZINC000872681058 1031643523 /nfs/dbraw/zinc/64/35/23/1031643523.db2.gz DOOCVCUJOUGNBD-RDTXWAMCSA-N 0 3 310.397 3.678 20 30 DHEDHN COc1cccc(F)c1[C@H](C)N[C@@H](C)Cc1cccc(C#N)c1 ZINC001171193705 1031654158 /nfs/dbraw/zinc/65/41/58/1031654158.db2.gz YKKILBIRNDCGBH-KBPBESRZSA-N 0 3 312.388 3.988 20 30 DHEDHN Cn1ncc(CN2CCC(c3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000897588627 1031660965 /nfs/dbraw/zinc/66/09/65/1031660965.db2.gz IRZAXPXMPIFJAT-UHFFFAOYSA-N 0 3 320.440 3.549 20 30 DHEDHN Cc1c(F)nccc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000897588875 1031663845 /nfs/dbraw/zinc/66/38/45/1031663845.db2.gz OXBWUVBPTSXFRH-UHFFFAOYSA-N 0 3 309.388 3.780 20 30 DHEDHN C=C(C)COc1cc(CN[C@@H](C)c2ccc[nH]2)ccc1OC ZINC000760445958 1031722072 /nfs/dbraw/zinc/72/20/72/1031722072.db2.gz QJNBHZQNRRBOMK-AWEZNQCLSA-N 0 3 300.402 3.829 20 30 DHEDHN CCCC[C@H](NCc1cncc(C#N)c1)c1ccc(OC)cc1 ZINC000930212990 1031736405 /nfs/dbraw/zinc/73/64/05/1031736405.db2.gz GLYDEFLOYPCEJX-IBGZPJMESA-N 0 3 309.413 3.983 20 30 DHEDHN N#Cc1csc(CNC2CCC(c3ccc(O)cc3)CC2)n1 ZINC000897628344 1031754579 /nfs/dbraw/zinc/75/45/79/1031754579.db2.gz HERWCSVTKWFRNF-UHFFFAOYSA-N 0 3 313.426 3.536 20 30 DHEDHN C=C1CCC(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000897730545 1031825311 /nfs/dbraw/zinc/82/53/11/1031825311.db2.gz OXBJPOOBMDMXMK-ZBFHGGJFSA-N 0 3 304.434 3.571 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001171210947 1031857098 /nfs/dbraw/zinc/85/70/98/1031857098.db2.gz XTEZTQHAFLKTEL-WFASDCNBSA-N 0 3 314.326 3.713 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN1CCC=C(c2ccccn2)C1 ZINC000930572960 1031874001 /nfs/dbraw/zinc/87/40/01/1031874001.db2.gz RTSQONYSJQSWES-UHFFFAOYSA-N 0 3 303.409 3.859 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc(-c2ccsc2)n1 ZINC000424175612 1031957593 /nfs/dbraw/zinc/95/75/93/1031957593.db2.gz QBBZTOIDVOSBFI-FZMZJTMJSA-N 0 3 306.456 3.552 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@H]1COCc1ccccc1 ZINC001171221315 1031958102 /nfs/dbraw/zinc/95/81/02/1031958102.db2.gz KNKSGHJEMXIYSK-UTKZUKDTSA-N 0 3 320.436 3.780 20 30 DHEDHN COc1ccc(C[C@@H]2CCCCN2Cc2cncc(C#N)c2)cc1 ZINC000930855287 1031965225 /nfs/dbraw/zinc/96/52/25/1031965225.db2.gz NKAJGHOVXPCPSD-IBGZPJMESA-N 0 3 321.424 3.559 20 30 DHEDHN N#CC(C(=O)c1cccc([N+](=O)[O-])c1)c1nccc2ccccc21 ZINC000361529373 1031972138 /nfs/dbraw/zinc/97/21/38/1031972138.db2.gz DWDZTSAZCBUTOX-INIZCTEOSA-N 0 3 317.304 3.633 20 30 DHEDHN CC(C)(C)[C@@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000361543213 1031978524 /nfs/dbraw/zinc/97/85/24/1031978524.db2.gz LUCGCYFCIXNCGZ-MRXNPFEDSA-N 0 3 324.428 3.866 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(=O)[C@@H](C)C12CCCC2 ZINC001171231714 1032002439 /nfs/dbraw/zinc/00/24/39/1032002439.db2.gz LIQMBHOONVILPR-JKSUJKDBSA-N 0 3 310.441 3.713 20 30 DHEDHN C#CCCOc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1 ZINC000898324731 1032024515 /nfs/dbraw/zinc/02/45/15/1032024515.db2.gz JQWIDLIRRIKUGP-FQEVSTJZSA-N 0 3 306.409 3.725 20 30 DHEDHN N#CC(C(=O)c1cc2[nH]ccc2s1)c1nc2ccccc2[nH]1 ZINC000361657355 1032043070 /nfs/dbraw/zinc/04/30/70/1032043070.db2.gz VTVRHDYRYWSWDH-SECBINFHSA-N 0 3 306.350 3.596 20 30 DHEDHN CCN(CC(=O)N(CCC#N)c1cc(C)cc(C)c1)CC(C)C ZINC000338392368 1033336621 /nfs/dbraw/zinc/33/66/21/1033336621.db2.gz HIEDXYFBXCVEEQ-UHFFFAOYSA-N 0 3 315.461 3.528 20 30 DHEDHN N#Cc1cnc(CNC2CCC(Cc3ccccc3)CC2)s1 ZINC001172819601 1033381226 /nfs/dbraw/zinc/38/12/26/1033381226.db2.gz DKIJXGBTZYLOQX-UHFFFAOYSA-N 0 3 311.454 3.906 20 30 DHEDHN CC[C@@H](Cc1ccc(F)cc1)NCc1cc(C#N)cnc1Cl ZINC000877621216 1033384360 /nfs/dbraw/zinc/38/43/60/1033384360.db2.gz SXFFWRNZJHPZKP-INIZCTEOSA-N 0 3 317.795 3.857 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C23CC(C2)C3)cc1 ZINC000860472354 1033391652 /nfs/dbraw/zinc/39/16/52/1033391652.db2.gz IGVZRTLBHMXRND-WRSNBSSQSA-N 0 3 310.397 3.648 20 30 DHEDHN N#Cc1cnc(Cl)c(CNC2CCC3(CC3(F)F)CC2)c1 ZINC000877633167 1033392568 /nfs/dbraw/zinc/39/25/68/1033392568.db2.gz BNUCAPXZQVZVBH-UHFFFAOYSA-N 0 3 311.763 3.664 20 30 DHEDHN CC(C)c1cc([C@H]2CCCN(Cc3ccccc3C#N)C2)n[nH]1 ZINC000877783622 1033452123 /nfs/dbraw/zinc/45/21/23/1033452123.db2.gz BPIYGIJJQXJWMK-KRWDZBQOSA-N 0 3 308.429 3.784 20 30 DHEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000128173487 1033481641 /nfs/dbraw/zinc/48/16/41/1033481641.db2.gz RGYNXUONBIDPSS-SFHVURJKSA-N 0 3 320.392 3.665 20 30 DHEDHN C=CCN(Cc1ccccc1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000877917048 1033514033 /nfs/dbraw/zinc/51/40/33/1033514033.db2.gz NMMYWRMTKPIYSQ-LJQANCHMSA-N 0 3 315.457 3.650 20 30 DHEDHN C=CC[C@@H](C)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000860898996 1033529029 /nfs/dbraw/zinc/52/90/29/1033529029.db2.gz RAZBMWXHYRYKLE-MRXNPFEDSA-N 0 3 301.430 3.797 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1CC[C@H](C)C2(CCC2)C1)c1ccccc1 ZINC000878337101 1033664107 /nfs/dbraw/zinc/66/41/07/1033664107.db2.gz BVIGHUXRNOXORC-UWJYYQICSA-N 0 3 324.468 3.939 20 30 DHEDHN CC[C@H](CSC)N(C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878343587 1033664215 /nfs/dbraw/zinc/66/42/15/1033664215.db2.gz FTIITGRGUVLILH-MSOLQXFVSA-N 0 3 318.486 3.500 20 30 DHEDHN N#CCC1CCC(N[C@@H](c2ccccc2)c2cccnn2)CC1 ZINC001173332424 1033692201 /nfs/dbraw/zinc/69/22/01/1033692201.db2.gz NCRDESCKMVWALI-KVWWFHCMSA-N 0 3 306.413 3.628 20 30 DHEDHN N#CCC1CCC(N2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC001173339479 1033694237 /nfs/dbraw/zinc/69/42/37/1033694237.db2.gz PUYJOWWHXGUKTR-UHFFFAOYSA-N 0 3 319.399 3.559 20 30 DHEDHN CC(C)(C)OC(=O)[C@H]1CCCCN1C1CCC(CC#N)CC1 ZINC001173338173 1033694850 /nfs/dbraw/zinc/69/48/50/1033694850.db2.gz ANRSTCWGPKHORL-UYSNPLJNSA-N 0 3 306.450 3.655 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](C)C(C)(C)C1)c1ccccc1 ZINC000878432826 1033703935 /nfs/dbraw/zinc/70/39/35/1033703935.db2.gz KEMMWHCDJZOELW-OXQOHEQNSA-N 0 3 312.457 3.795 20 30 DHEDHN C=CCOC1CCC(NCc2c(F)c(F)ccc2OC)CC1 ZINC001173315161 1033706326 /nfs/dbraw/zinc/70/63/26/1033706326.db2.gz IOXKYXAMYQZJRO-UHFFFAOYSA-N 0 3 311.372 3.577 20 30 DHEDHN N#CCC1(CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC000878639719 1033777904 /nfs/dbraw/zinc/77/79/04/1033777904.db2.gz SLBMTEWIQKRNHI-MOPGFXCFSA-N 0 3 306.409 3.745 20 30 DHEDHN C#CC[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000862446818 1033858467 /nfs/dbraw/zinc/85/84/67/1033858467.db2.gz FUQIIVDCSFUZPZ-HNNXBMFYSA-N 0 3 310.372 3.858 20 30 DHEDHN N#Cc1ccccc1NC1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000878964199 1033881479 /nfs/dbraw/zinc/88/14/79/1033881479.db2.gz CUONBUORPGLNMF-CYBMUJFWSA-N 0 3 324.255 3.628 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1C[C@@H]2CCCC[C@@]21C)c1ccccc1 ZINC000879062214 1033911214 /nfs/dbraw/zinc/91/12/14/1033911214.db2.gz HZFZYQILGGYWGM-SLFFLAALSA-N 0 3 310.441 3.692 20 30 DHEDHN CN(CCCCCCNC(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000879308345 1033979977 /nfs/dbraw/zinc/97/99/77/1033979977.db2.gz AJBMGLFJDWBBSQ-CVEARBPZSA-N 0 3 323.481 3.696 20 30 DHEDHN CN(C)Cc1ccccc1Nc1cnc(C#N)c(C(F)(F)F)c1 ZINC001173929830 1033992137 /nfs/dbraw/zinc/99/21/37/1033992137.db2.gz JKSIACZGQFIBHT-UHFFFAOYSA-N 0 3 320.318 3.777 20 30 DHEDHN CC(C)(NCc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCCO1 ZINC000879409987 1034008742 /nfs/dbraw/zinc/00/87/42/1034008742.db2.gz KCFQVJYIJOMDHI-HNNXBMFYSA-N 0 3 324.371 3.597 20 30 DHEDHN C=CCC[C@H](CC)NC1(c2ncc(Br)cn2)CCC1 ZINC000927145148 1034213598 /nfs/dbraw/zinc/21/35/98/1034213598.db2.gz OQISGLOTVBRAFV-ZDUSSCGKSA-N 0 3 324.266 3.953 20 30 DHEDHN COc1ccc(Cl)cc1[C@@H](CC(C)C)NCCOCCC#N ZINC000339070931 1034439225 /nfs/dbraw/zinc/43/92/25/1034439225.db2.gz LMZXKOQLGRWQER-MRXNPFEDSA-N 0 3 324.852 3.956 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001174992815 1034720081 /nfs/dbraw/zinc/72/00/81/1034720081.db2.gz BANPKFWHNOCXIW-NDXORKPFSA-N 0 3 317.436 3.578 20 30 DHEDHN N#CCc1cccc2c1CCN(Cc1ccc3c(c1)CCC3)C2 ZINC001175062577 1034754594 /nfs/dbraw/zinc/75/45/94/1034754594.db2.gz RRAHUPPISBUCGP-UHFFFAOYSA-N 0 3 302.421 3.800 20 30 DHEDHN N#CC1(c2ccc(CN3CC(Cc4cccs4)C3)cc2)CC1 ZINC000600215855 1034819666 /nfs/dbraw/zinc/81/96/66/1034819666.db2.gz QGHIKWDJTGDLGV-UHFFFAOYSA-N 0 3 308.450 3.978 20 30 DHEDHN C=CCCC[C@H](C)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000481422670 1034821260 /nfs/dbraw/zinc/82/12/60/1034821260.db2.gz UCMAOUYYWOSVFP-KBXCAEBGSA-N 0 3 301.409 3.983 20 30 DHEDHN N#Cc1cccc(C#N)c1NC1=CCN(Cc2ccccc2)CC1 ZINC001175504590 1035014174 /nfs/dbraw/zinc/01/41/74/1035014174.db2.gz BVZYXHZGWVHKOF-UHFFFAOYSA-N 0 3 314.392 3.632 20 30 DHEDHN CN1CCC=C(Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC001175582446 1035031579 /nfs/dbraw/zinc/03/15/79/1035031579.db2.gz CLIADHXTGBFNMV-UHFFFAOYSA-N 0 3 305.381 3.982 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000237506619 1035102995 /nfs/dbraw/zinc/10/29/95/1035102995.db2.gz LXZXDMHTUKQWPG-DJJJIMSYSA-N 0 3 310.372 3.894 20 30 DHEDHN C=CCN(CCOC)Cc1ccc(-c2scnc2C)cc1 ZINC000668055080 1035116629 /nfs/dbraw/zinc/11/66/29/1035116629.db2.gz QWHVBZAJZZRKQG-UHFFFAOYSA-N 0 3 302.443 3.753 20 30 DHEDHN CCN1CCN(c2ccc(Nc3cccc(CC#N)c3)cc2)CC1 ZINC001175781536 1035119350 /nfs/dbraw/zinc/11/93/50/1035119350.db2.gz KFPAEZZDGGREHQ-UHFFFAOYSA-N 0 3 320.440 3.638 20 30 DHEDHN COc1cccc([C@H]2CCN(Cc3cc(C#N)ccn3)C2(C)C)c1 ZINC001175820634 1035135404 /nfs/dbraw/zinc/13/54/04/1035135404.db2.gz FDQQOURGCCKZDM-LJQANCHMSA-N 0 3 321.424 3.730 20 30 DHEDHN CCCO[C@H]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000160111683 1035138233 /nfs/dbraw/zinc/13/82/33/1035138233.db2.gz OZPRFMSKHAXNTQ-SFHVURJKSA-N 0 3 305.849 3.973 20 30 DHEDHN CCN(CC)[C@H](CNc1nc(C)ccc1C#N)c1ccsc1 ZINC000160567794 1035209496 /nfs/dbraw/zinc/20/94/96/1035209496.db2.gz PCUDWRSHBVAMRW-MRXNPFEDSA-N 0 3 314.458 3.818 20 30 DHEDHN C=C(C)COCCN[C@@H](C)c1cc(Br)ccc1F ZINC000163515272 1035325394 /nfs/dbraw/zinc/32/53/94/1035325394.db2.gz BSVGSUKBAYCVPN-NSHDSACASA-N 0 3 316.214 3.832 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc2scnc2c1 ZINC001178620286 1035440203 /nfs/dbraw/zinc/44/02/03/1035440203.db2.gz KXNHDJLKRPZHQA-INIZCTEOSA-N 0 3 305.406 3.945 20 30 DHEDHN C=C(C)C[C@H](CO)NCc1cccc(Cl)c1Br ZINC001179438584 1035477312 /nfs/dbraw/zinc/47/73/12/1035477312.db2.gz XJNOLWGBHVRUEU-LLVKDONJSA-N 0 3 318.642 3.519 20 30 DHEDHN C#C[C@H](N[C@H](CC)c1ccc(OC(F)F)cc1)[C@@H]1CCCO1 ZINC000775571654 1035568188 /nfs/dbraw/zinc/56/81/88/1035568188.db2.gz IXWDTXDDUUYFAE-PMPSAXMXSA-N 0 3 309.356 3.510 20 30 DHEDHN CCN(Cc1csc(C#N)c1)[C@H](COC)Cc1ccccc1 ZINC001180219717 1035623703 /nfs/dbraw/zinc/62/37/03/1035623703.db2.gz UESOGVHQWANNJK-KRWDZBQOSA-N 0 3 314.454 3.699 20 30 DHEDHN N#CC1(C[C@@H](O)CN2CC3(CCC3)[C@H]2c2ccccc2)CCC1 ZINC000905956551 1035715748 /nfs/dbraw/zinc/71/57/48/1035715748.db2.gz KSEXCNLQFAVMKU-QZTJIDSGSA-N 0 3 310.441 3.658 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc3cccnc3c2)cc1 ZINC001203363061 1035719031 /nfs/dbraw/zinc/71/90/31/1035719031.db2.gz KQKIUNILGWZEPF-UHFFFAOYSA-N 0 3 302.377 3.537 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1ncc(-c2ccc(C)cc2)o1 ZINC001193914879 1035769519 /nfs/dbraw/zinc/76/95/19/1035769519.db2.gz YPQDTLIXFPUKGW-UHFFFAOYSA-N 0 3 313.445 3.590 20 30 DHEDHN C[C@@H](NCC#Cc1ccccc1)c1cccc(-n2cccn2)c1 ZINC000192157388 1035771771 /nfs/dbraw/zinc/77/17/71/1035771771.db2.gz WAXLHPZGTHMIJL-QGZVFWFLSA-N 0 3 301.393 3.575 20 30 DHEDHN CCCCO[C@H]1C[C@H](NCc2cc(C#N)ccc2OC)C1(C)C ZINC001194190995 1035869967 /nfs/dbraw/zinc/86/99/67/1035869967.db2.gz MWOKRKFUOWOHDD-ROUUACIJSA-N 0 3 316.445 3.640 20 30 DHEDHN CCC#C[C@H](C)N[C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000670092004 1035894932 /nfs/dbraw/zinc/89/49/32/1035894932.db2.gz BJQHYBYNMOHLQT-XZOAIXRZSA-N 0 3 324.390 3.631 20 30 DHEDHN N#Cc1ccc(C2CCN([C@H]3C[C@@H]3c3cccc(F)c3)CC2)nc1 ZINC000906588916 1036012698 /nfs/dbraw/zinc/01/26/98/1036012698.db2.gz IOXJFVXJAVDKRC-QUCCMNQESA-N 0 3 321.399 3.828 20 30 DHEDHN CN(CCOCc1ccc(C#N)cc1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001194791784 1036022304 /nfs/dbraw/zinc/02/23/04/1036022304.db2.gz OJPZIRFEIOUEJH-UXHICEINSA-N 0 3 324.399 3.702 20 30 DHEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CCC(C)(C)C ZINC001195499315 1036273326 /nfs/dbraw/zinc/27/33/26/1036273326.db2.gz UKXQNQVJWXVGHG-WUJZJPHMSA-N 0 3 321.509 3.674 20 30 DHEDHN CC(C)(C)OC(=O)C[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC001195799975 1036350239 /nfs/dbraw/zinc/35/02/39/1036350239.db2.gz YFPRGCGRLPKEDL-QGZVFWFLSA-N 0 3 314.429 3.645 20 30 DHEDHN C=CC[C@H]1CCCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001195946705 1036400610 /nfs/dbraw/zinc/40/06/10/1036400610.db2.gz MMYDVVUCGYLTLY-YOEHRIQHSA-N 0 3 318.848 3.733 20 30 DHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccsc1 ZINC000130162977 1036431595 /nfs/dbraw/zinc/43/15/95/1036431595.db2.gz MEVKJKBHGNOMSA-JTQLQIEISA-N 0 3 322.748 3.502 20 30 DHEDHN COc1ccc(C(C)=NOC2CCCC2)cc1CN1CCCC1 ZINC000774607637 1036554399 /nfs/dbraw/zinc/55/43/99/1036554399.db2.gz GPRKVOYLHXTBSV-UHFFFAOYSA-N 0 3 316.445 3.974 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC2CCC(CC)CC2)CC1 ZINC000303311015 1036568568 /nfs/dbraw/zinc/56/85/68/1036568568.db2.gz KGRMFTQWXDUGAX-UHFFFAOYSA-N 0 3 321.509 3.543 20 30 DHEDHN CCCCCCCC[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C ZINC001273737098 1036688861 /nfs/dbraw/zinc/68/88/61/1036688861.db2.gz AXJCADHCNZJCKB-OWSLCNJRSA-N 0 3 306.494 3.678 20 30 DHEDHN CCCC1(CCC)CCCN1CC(=O)Nc1sccc1C#N ZINC001197514697 1036786144 /nfs/dbraw/zinc/78/61/44/1036786144.db2.gz PSMRSXIVEYNZFI-UHFFFAOYSA-N 0 3 319.474 3.993 20 30 DHEDHN CCCCN1CCCC[C@H]1CNc1cc(C#N)sc1[N+](=O)[O-] ZINC001185097755 1037025868 /nfs/dbraw/zinc/02/58/68/1037025868.db2.gz COTKPEOZWNDONX-LBPRGKRZSA-N 0 3 322.434 3.594 20 30 DHEDHN N#Cc1ccc(Br)c(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000492814318 1037027451 /nfs/dbraw/zinc/02/74/51/1037027451.db2.gz ADFBPNJDFMFSJZ-WFASDCNBSA-N 0 3 305.219 3.695 20 30 DHEDHN CC[C@H]1[C@@H](C)CCN1Cc1cc(C#N)ccc1Br ZINC000492844692 1037032097 /nfs/dbraw/zinc/03/20/97/1037032097.db2.gz DRYSKRDCHPTFCW-NHYWBVRUSA-N 0 3 307.235 3.941 20 30 DHEDHN C=CCCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000175476519 1037051487 /nfs/dbraw/zinc/05/14/87/1037051487.db2.gz OBUGTUMXWLUXCF-SFHVURJKSA-N 0 3 300.446 3.604 20 30 DHEDHN COC(=O)Nc1cccc(CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000495809905 1037077601 /nfs/dbraw/zinc/07/76/01/1037077601.db2.gz MEKXQBGWGKNSKC-CYBMUJFWSA-N 0 3 309.369 3.587 20 30 DHEDHN N#CCOc1ccc(CN2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001198708634 1037117400 /nfs/dbraw/zinc/11/74/00/1037117400.db2.gz ZZEPXYFFSUGCDL-FQEVSTJZSA-N 0 3 322.408 3.553 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000911962618 1037261770 /nfs/dbraw/zinc/26/17/70/1037261770.db2.gz DGDGFQFQWBZJJP-LLVKDONJSA-N 0 3 318.751 3.564 20 30 DHEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000912054496 1037281048 /nfs/dbraw/zinc/28/10/48/1037281048.db2.gz RMRPFSCJCVYKQM-RISCZKNCSA-N 0 3 314.351 3.566 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000912103383 1037290231 /nfs/dbraw/zinc/29/02/31/1037290231.db2.gz SWPIREMJNVWVJL-CQSZACIVSA-N 0 3 322.499 3.787 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000912134619 1037301992 /nfs/dbraw/zinc/30/19/92/1037301992.db2.gz QQHPZWVEAXWJOZ-OAHLLOKOSA-N 0 3 315.442 3.741 20 30 DHEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000774992287 1037350902 /nfs/dbraw/zinc/35/09/02/1037350902.db2.gz OWDSRKHRBSFQLA-HNAYVOBHSA-N 0 3 324.424 3.730 20 30 DHEDHN COCCN(Cc1ccc(Cl)cc1C#N)[C@H]1CCC[C@@H]1C ZINC000488061559 1037611343 /nfs/dbraw/zinc/61/13/43/1037611343.db2.gz KXQJYTJMZYHEHJ-GUYCJALGSA-N 0 3 306.837 3.849 20 30 DHEDHN C[C@@H](NC[C@H](O)c1c(F)cccc1Cl)c1cccc(C#N)c1 ZINC000776164553 1037641945 /nfs/dbraw/zinc/64/19/45/1037641945.db2.gz JASSYEBJGUZNNL-BZNIZROVSA-N 0 3 318.779 3.735 20 30 DHEDHN C[C@H](NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000776165291 1037659100 /nfs/dbraw/zinc/65/91/00/1037659100.db2.gz PEZPFMSPRJMFAK-MEDUHNTESA-N 0 3 318.779 3.735 20 30 DHEDHN C[C@@H](N[C@@H](c1cccnc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000776169112 1037671813 /nfs/dbraw/zinc/67/18/13/1037671813.db2.gz DSTZEQZFQCMHCY-AUUYWEPGSA-N 0 3 307.397 3.786 20 30 DHEDHN COc1ccc(C#N)cc1Nc1cccc2c1OCC[C@H]2N(C)C ZINC001201590686 1037796503 /nfs/dbraw/zinc/79/65/03/1037796503.db2.gz PZPZCLFANVTSPX-QGZVFWFLSA-N 0 3 323.396 3.696 20 30 DHEDHN CCCCCCCCCCCN1CCN([C@@H]2CCOC2)CC1 ZINC001201630607 1037797806 /nfs/dbraw/zinc/79/78/06/1037797806.db2.gz CQKOAQZQFPOEGC-LJQANCHMSA-N 0 3 310.526 3.924 20 30 DHEDHN CCCCCCCCCCCN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001201630920 1037802005 /nfs/dbraw/zinc/80/20/05/1037802005.db2.gz HWZDPAVBSPKVGF-GBESFXJTSA-N 0 3 311.510 3.989 20 30 DHEDHN CCCCCCCN1CCn2cc(CN3CCCCC3)nc2C1 ZINC001201776586 1037904884 /nfs/dbraw/zinc/90/48/84/1037904884.db2.gz FXCIVTRRFWWZGD-UHFFFAOYSA-N 0 3 318.509 3.655 20 30 DHEDHN C#C[C@H](C)N(C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000775182584 1037930335 /nfs/dbraw/zinc/93/03/35/1037930335.db2.gz DPYZOFRXEXHOOA-KRWDZBQOSA-N 0 3 308.425 3.731 20 30 DHEDHN O=C(Nc1ccc2ccccc2c1)N1CCC2SC(=O)C=C2C1 ZINC001188596257 1037940193 /nfs/dbraw/zinc/94/01/93/1037940193.db2.gz SFZHETLTGLEMMZ-INIZCTEOSA-N 0 3 324.405 3.646 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccccc1-n1ccnn1)c1cccc(C#N)c1 ZINC000586790250 1037969301 /nfs/dbraw/zinc/96/93/01/1037969301.db2.gz BZLTZGQBDQITAI-CABCVRRESA-N 0 3 317.396 3.551 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C#N)cc1 ZINC000586789164 1037970520 /nfs/dbraw/zinc/97/05/20/1037970520.db2.gz WJTJQLOUTIERHW-NEPJUHHUSA-N 0 3 307.353 3.817 20 30 DHEDHN C=C(Br)CN[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000164513462 1038205918 /nfs/dbraw/zinc/20/59/18/1038205918.db2.gz HLDPMRIQVMDBQY-OLZOCXBDSA-N 0 3 302.256 3.613 20 30 DHEDHN Cc1cc(C#N)ccc1CN[C@H](CCO)c1ccc(Cl)cc1 ZINC000588214983 1038275497 /nfs/dbraw/zinc/27/54/97/1038275497.db2.gz VZHJMTQZWWMIRR-GOSISDBHSA-N 0 3 314.816 3.733 20 30 DHEDHN COc1ccc(O)c([C@@H](C)NCC#Cc2ccccc2Cl)c1 ZINC000775369975 1038287533 /nfs/dbraw/zinc/28/75/33/1038287533.db2.gz JNNJUFSTHMGUCI-CYBMUJFWSA-N 0 3 315.800 3.757 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)c(Cl)c1)CC2 ZINC000589344171 1038460926 /nfs/dbraw/zinc/46/09/26/1038460926.db2.gz DTOSXBHHYGHLSO-GOSISDBHSA-N 0 3 307.784 3.860 20 30 DHEDHN CCC#C[C@H](C)N(CC)CCOc1ccc(Br)cc1 ZINC001191269619 1038476829 /nfs/dbraw/zinc/47/68/29/1038476829.db2.gz VOHZFWLROMUSOZ-AWEZNQCLSA-N 0 3 324.262 3.952 20 30 DHEDHN N#Cc1cncc(CN2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC001191408365 1038499106 /nfs/dbraw/zinc/49/91/06/1038499106.db2.gz ORWGBNVEGCYNMV-NRFANRHFSA-N 0 3 317.436 3.823 20 30 DHEDHN OCC1([C@H](NCC#Cc2ccccc2)c2ccccc2)CC=CC1 ZINC000646081862 1038540670 /nfs/dbraw/zinc/54/06/70/1038540670.db2.gz QKFVPFYTXYTNQJ-OAQYLSRUSA-N 0 3 317.432 3.698 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@@H](OC)c1ccc(F)cc1 ZINC001192652721 1038687734 /nfs/dbraw/zinc/68/77/34/1038687734.db2.gz HQEGOJUWSDIRGT-GOSISDBHSA-N 0 3 303.377 3.837 20 30 DHEDHN C#CCOCCN[C@H](CC(C)C)c1cc(Cl)ccc1OC ZINC001192689011 1038692068 /nfs/dbraw/zinc/69/20/68/1038692068.db2.gz AIVOSBSAYWTMSJ-MRXNPFEDSA-N 0 3 309.837 3.675 20 30 DHEDHN CC(C)Oc1cccc(CN(C)CCOc2cccc(C#N)c2)c1 ZINC001192956203 1038719592 /nfs/dbraw/zinc/71/95/92/1038719592.db2.gz PONHRNABNZYXQT-UHFFFAOYSA-N 0 3 324.424 3.856 20 30 DHEDHN N#CCC[C@@H](NCCC(=O)Nc1ccccc1)c1ccccc1 ZINC000591024874 1038749413 /nfs/dbraw/zinc/74/94/13/1038749413.db2.gz XMFWSZNJNCXKGQ-GOSISDBHSA-N 0 3 307.397 3.650 20 30 DHEDHN N#CCC[C@H](NCCC(=O)Nc1ccccc1)c1ccccc1 ZINC000591024875 1038749966 /nfs/dbraw/zinc/74/99/66/1038749966.db2.gz XMFWSZNJNCXKGQ-SFHVURJKSA-N 0 3 307.397 3.650 20 30 DHEDHN N#CCc1ccc(CNCc2ccc(OCC3CC3)cc2)cc1 ZINC000573205985 1038826441 /nfs/dbraw/zinc/82/64/41/1038826441.db2.gz MEVBICWLZRQGMB-UHFFFAOYSA-N 0 3 306.409 3.831 20 30 DHEDHN N#CC1(C[C@@H](O)CN[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000599327238 1039123060 /nfs/dbraw/zinc/12/30/60/1039123060.db2.gz RAYDUTPKXBTUEJ-RTBURBONSA-N 0 3 324.399 3.559 20 30 DHEDHN Cc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C#N ZINC000599353529 1039131554 /nfs/dbraw/zinc/13/15/54/1039131554.db2.gz IMYUKVOXPAHGBQ-CQSZACIVSA-N 0 3 309.369 3.934 20 30 DHEDHN N#Cc1cccc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592175297 1039166321 /nfs/dbraw/zinc/16/63/21/1039166321.db2.gz LZWYFXORIYCLNE-FQEVSTJZSA-N 0 3 318.420 3.718 20 30 DHEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1ccc(C(=O)OC)cc1 ZINC000592391458 1039187917 /nfs/dbraw/zinc/18/79/17/1039187917.db2.gz SWMJXESVFSGTBQ-LJQANCHMSA-N 0 3 322.408 3.780 20 30 DHEDHN N#Cc1cccc(OCCN2CCC[C@H]2c2cccc(F)c2)c1 ZINC000603868485 1039202808 /nfs/dbraw/zinc/20/28/08/1039202808.db2.gz PBLKVGSEDASGJA-IBGZPJMESA-N 0 3 310.372 3.913 20 30 DHEDHN N#CCCC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000592517227 1039220375 /nfs/dbraw/zinc/22/03/75/1039220375.db2.gz CAOFEMJYYZOCGA-UHFFFAOYSA-N 0 3 312.442 3.721 20 30 DHEDHN Cc1ccc(C2(NCc3cnc4ccc(C#N)cn34)CCC2)cc1 ZINC000592529822 1039224370 /nfs/dbraw/zinc/22/43/70/1039224370.db2.gz RVIAWLZZOIAERK-UHFFFAOYSA-N 0 3 316.408 3.683 20 30 DHEDHN C=CCN(CCOc1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000603936404 1039237321 /nfs/dbraw/zinc/23/73/21/1039237321.db2.gz OJNNCOLJZCOYET-UHFFFAOYSA-N 0 3 322.408 3.634 20 30 DHEDHN COc1ccc([C@H](NCc2ccc(C)c(C#N)c2)C2CC2)cn1 ZINC000599703400 1039267302 /nfs/dbraw/zinc/26/73/02/1039267302.db2.gz NXNSVIVVYKRDOZ-LJQANCHMSA-N 0 3 307.397 3.511 20 30 DHEDHN CCCN(CCOc1ccc(C#N)cc1)Cc1ccccc1F ZINC000604493327 1039485233 /nfs/dbraw/zinc/48/52/33/1039485233.db2.gz MRHLEBMVQQEXIP-UHFFFAOYSA-N 0 3 312.388 3.988 20 30 DHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](CC)c1ccccc1 ZINC000171480828 1039496648 /nfs/dbraw/zinc/49/66/48/1039496648.db2.gz GXTJGHMWBHRQPO-DOTOQJQBSA-N 0 3 314.429 3.586 20 30 DHEDHN CC(C)[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594428275 1039780709 /nfs/dbraw/zinc/78/07/09/1039780709.db2.gz MBBXGNSPXQXKHZ-HZPDHXFCSA-N 0 3 321.852 3.565 20 30 DHEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccccc2C#N)CC1 ZINC000593934776 1039785058 /nfs/dbraw/zinc/78/50/58/1039785058.db2.gz ZBYPZMWSEZMOHB-HNNXBMFYSA-N 0 3 306.413 3.591 20 30 DHEDHN CC(C)CCc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594431726 1039785704 /nfs/dbraw/zinc/78/57/04/1039785704.db2.gz QKCXTTVGKKQVJF-INIZCTEOSA-N 0 3 301.434 3.625 20 30 DHEDHN COc1cccc(CN(Cc2ccc(C#N)cn2)CC(C)C)c1 ZINC000593954930 1039788528 /nfs/dbraw/zinc/78/85/28/1039788528.db2.gz PWJWDBONABUUHB-UHFFFAOYSA-N 0 3 309.413 3.620 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000594427131 1039795162 /nfs/dbraw/zinc/79/51/62/1039795162.db2.gz HIDFFSFVXGWYGY-ROUUACIJSA-N 0 3 313.445 3.542 20 30 DHEDHN CCc1nn(C)c(CC)c1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594504779 1039804617 /nfs/dbraw/zinc/80/46/17/1039804617.db2.gz KMQZCVPDZFDNAW-UHFFFAOYSA-N 0 3 324.472 3.636 20 30 DHEDHN CC[C@@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000594514391 1039821102 /nfs/dbraw/zinc/82/11/02/1039821102.db2.gz WFLMQXHKRVGEKD-MJGOQNOKSA-N 0 3 319.408 3.552 20 30 DHEDHN N#CC1(c2ccc(CN[C@@H](c3cccnc3)C3CC3)cc2)CC1 ZINC000594934252 1039952083 /nfs/dbraw/zinc/95/20/83/1039952083.db2.gz CPQRMEQANCXOCO-LJQANCHMSA-N 0 3 303.409 3.878 20 30 DHEDHN Cc1cc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)ccc1C#N ZINC000594990639 1040006629 /nfs/dbraw/zinc/00/66/29/1040006629.db2.gz VINKDTMOHFFSFP-UXHICEINSA-N 0 3 308.425 3.715 20 30 DHEDHN Cc1cc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)ccc1C#N ZINC000594990640 1040008540 /nfs/dbraw/zinc/00/85/40/1040008540.db2.gz VINKDTMOHFFSFP-VQTJNVASSA-N 0 3 308.425 3.715 20 30 DHEDHN COc1cccc(CNCc2cccc(OCCCC#N)c2)c1C ZINC000594998911 1040015199 /nfs/dbraw/zinc/01/51/99/1040015199.db2.gz MEAVNLAXFBBAEF-UHFFFAOYSA-N 0 3 324.424 3.976 20 30 DHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(C(F)F)nc1 ZINC000595046371 1040046710 /nfs/dbraw/zinc/04/67/10/1040046710.db2.gz QBHCYXLXHLIVLA-LBPRGKRZSA-N 0 3 301.340 3.936 20 30 DHEDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC1(C#N)CCCCC1 ZINC000595090480 1040076504 /nfs/dbraw/zinc/07/65/04/1040076504.db2.gz GETWJBIUSYXUIZ-OAHLLOKOSA-N 0 3 315.417 3.980 20 30 DHEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CCCCC2)cc1OC ZINC000595090574 1040076815 /nfs/dbraw/zinc/07/68/15/1040076815.db2.gz IFZSPSNJTQBKHJ-OAHLLOKOSA-N 0 3 316.445 3.698 20 30 DHEDHN C=C(C)CN(CCc1ccc(C#N)cc1)Cc1cnn(C(C)C)c1 ZINC000595481432 1040142558 /nfs/dbraw/zinc/14/25/58/1040142558.db2.gz DYGLMFTWMSMXHY-UHFFFAOYSA-N 0 3 322.456 3.956 20 30 DHEDHN N#CC[C@H]1CCCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000595617383 1040192647 /nfs/dbraw/zinc/19/26/47/1040192647.db2.gz ZKNDKHXDXLWGAD-QGZVFWFLSA-N 0 3 321.424 3.786 20 30 DHEDHN N#CC[C@@H]1CCCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000595623950 1040196276 /nfs/dbraw/zinc/19/62/76/1040196276.db2.gz ZMIZLDNOWVDABT-KRWDZBQOSA-N 0 3 321.424 3.786 20 30 DHEDHN CC(=O)Nc1cccc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000595636660 1040198304 /nfs/dbraw/zinc/19/83/04/1040198304.db2.gz UOGIDPBZPYSPRL-UHFFFAOYSA-N 0 3 307.397 3.542 20 30 DHEDHN N#CC[C@H]1CCCN(Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000595615830 1040206832 /nfs/dbraw/zinc/20/68/32/1040206832.db2.gz UGZRAJTWMXXONO-QGZVFWFLSA-N 0 3 321.424 3.786 20 30 DHEDHN CC(C)(C#N)CCCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000595829970 1040264667 /nfs/dbraw/zinc/26/46/67/1040264667.db2.gz SJDJTEQDXFBIEZ-CYBMUJFWSA-N 0 3 315.244 3.946 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000595827235 1040266471 /nfs/dbraw/zinc/26/64/71/1040266471.db2.gz BMYYRNXPXBOBRH-UHFFFAOYSA-N 0 3 309.413 3.855 20 30 DHEDHN COc1cc(CN[C@@]2(c3ccccc3)CC2(C)C)ccc1C#N ZINC000596057196 1040292194 /nfs/dbraw/zinc/29/21/94/1040292194.db2.gz KDXFLGIXMDEUPV-HXUWFJFHSA-N 0 3 306.409 3.982 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063750656 1040486837 /nfs/dbraw/zinc/48/68/37/1040486837.db2.gz FKCXVZWWTGVTDD-UHFFFAOYSA-N 0 3 309.369 3.877 20 30 DHEDHN C=CCC[C@@H](NCc1ccc(C(=O)OC)n1C)c1ccccc1 ZINC000602013767 1040849943 /nfs/dbraw/zinc/84/99/43/1040849943.db2.gz WPKNPFCZHYEAEO-QGZVFWFLSA-N 0 3 312.413 3.609 20 30 DHEDHN CN(Cc1cccc(C#N)n1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000602452360 1041029173 /nfs/dbraw/zinc/02/91/73/1041029173.db2.gz HWAHZFBARBIBDS-YLJYHZDGSA-N 0 3 321.424 3.553 20 30 DHEDHN CCN(CC(=O)Nc1c(C)cccc1C)C[C@@H](C)CCC#N ZINC000602475592 1041039834 /nfs/dbraw/zinc/03/98/34/1041039834.db2.gz LGCQIWDKKHITPA-AWEZNQCLSA-N 0 3 301.434 3.504 20 30 DHEDHN C[C@@H](N[C@H](c1nnc[nH]1)C1CCCCC1)c1cccc(C#N)c1 ZINC000602566181 1041098506 /nfs/dbraw/zinc/09/85/06/1041098506.db2.gz IYJGSOXQDXITLK-DYVFJYSZSA-N 0 3 309.417 3.649 20 30 DHEDHN N#CCC1(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000602784973 1041206752 /nfs/dbraw/zinc/20/67/52/1041206752.db2.gz QIEQGXUBIJEIJD-CQSZACIVSA-N 0 3 315.486 3.895 20 30 DHEDHN N#CCC1(CN2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC000602835154 1041249719 /nfs/dbraw/zinc/24/97/19/1041249719.db2.gz YLRFHRYLBRRTTA-UHFFFAOYSA-N 0 3 313.376 3.840 20 30 DHEDHN COc1cc(Br)ccc1[C@@H](C)NCC1(CC#N)CC1 ZINC000602816661 1041257256 /nfs/dbraw/zinc/25/72/56/1041257256.db2.gz QTVORGIKNBZXPX-LLVKDONJSA-N 0 3 323.234 3.802 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1cccc2c1CCOC2 ZINC000602848695 1041261627 /nfs/dbraw/zinc/26/16/27/1041261627.db2.gz XELCGJLSPRBBAD-OAHLLOKOSA-N 0 3 306.409 3.824 20 30 DHEDHN C[C@H](c1ccccn1)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602893076 1041299534 /nfs/dbraw/zinc/29/95/34/1041299534.db2.gz ARIYPNGAUZBFIN-OAHLLOKOSA-N 0 3 306.413 3.591 20 30 DHEDHN COc1ccc(C#N)cc1CN1CCC2(CCSCC2)CC1 ZINC000602951535 1041323003 /nfs/dbraw/zinc/32/30/03/1041323003.db2.gz QNORJQWVBSQWFD-UHFFFAOYSA-N 0 3 316.470 3.676 20 30 DHEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(Cl)c1Cl ZINC000598603460 1041348152 /nfs/dbraw/zinc/34/81/52/1041348152.db2.gz UCNDFXNFUFROBK-GHMZBOCLSA-N 0 3 315.244 3.945 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CNC1(c2ccccc2Cl)CCC1 ZINC000598624063 1041363488 /nfs/dbraw/zinc/36/34/88/1041363488.db2.gz WMORJKQJIJVKNA-CYBMUJFWSA-N 0 3 306.837 3.610 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccc(CCC)cc1)C(C)C ZINC000096966515 185394159 /nfs/dbraw/zinc/39/41/59/185394159.db2.gz TWBKBSYYKGLZQP-MAUKXSAKSA-N 0 3 302.462 3.617 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(-c2cccs2)n1 ZINC000280696301 334969866 /nfs/dbraw/zinc/96/98/66/334969866.db2.gz SASRTQDVLCCJJI-DOMZBBRYSA-N 0 3 320.483 3.942 20 30 DHEDHN C[C@H]1CCC[C@H](C)C1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000182957488 335005266 /nfs/dbraw/zinc/00/52/66/335005266.db2.gz YBAPVOWCEGRAED-STQMWFEESA-N 0 3 310.401 3.523 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@@H](COCC)C2)ccc1OC ZINC000093839462 335005440 /nfs/dbraw/zinc/00/54/40/335005440.db2.gz AXTMOLZHIOWDFF-QGZVFWFLSA-N 0 3 319.445 3.509 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@H](COCC)C2)ccc1OC ZINC000093839463 335005459 /nfs/dbraw/zinc/00/54/59/335005459.db2.gz AXTMOLZHIOWDFF-KRWDZBQOSA-N 0 3 319.445 3.509 20 30 DHEDHN C(#Cc1ccccc1)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285892334 335027610 /nfs/dbraw/zinc/02/76/10/335027610.db2.gz JZZOHYRUHXAZEQ-FSSWDIPSSA-N 0 3 317.432 3.543 20 30 DHEDHN C=C(C)CN1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000192339090 335029960 /nfs/dbraw/zinc/02/99/60/335029960.db2.gz DQUDPGZCDYHYCO-UHFFFAOYSA-N 0 3 313.401 3.501 20 30 DHEDHN N#Cc1cccc(CN2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000041841281 183221941 /nfs/dbraw/zinc/22/19/41/183221941.db2.gz GWUFTXAEKUOUIH-HXUWFJFHSA-N 0 3 306.409 3.504 20 30 DHEDHN C=CCC[C@H](NCCOCC(F)(F)C(F)F)c1ccco1 ZINC000287447812 335046235 /nfs/dbraw/zinc/04/62/35/335046235.db2.gz LGQLESMEFCNTCJ-NSHDSACASA-N 0 3 309.303 3.794 20 30 DHEDHN C=CCOc1ccc(CN2CCS[C@@H](C)CC2)cc1OC ZINC000190691506 335047444 /nfs/dbraw/zinc/04/74/44/335047444.db2.gz MXJOLTBUMNNSKA-AWEZNQCLSA-N 0 3 307.459 3.587 20 30 DHEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000184063151 335055259 /nfs/dbraw/zinc/05/52/59/335055259.db2.gz AAOLXJOPHQERAQ-UONOGXRCSA-N 0 3 319.474 3.520 20 30 DHEDHN C=C(C)C[C@H](C)c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000288888337 335058721 /nfs/dbraw/zinc/05/87/21/335058721.db2.gz ALOAUBNFRQFSBL-AWEZNQCLSA-N 0 3 315.417 3.747 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(NC(=O)CCC)cc2)cc1 ZINC000289313420 335061807 /nfs/dbraw/zinc/06/18/07/335061807.db2.gz SGVZRKVHVAAMMO-UHFFFAOYSA-N 0 3 306.409 3.696 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(COCCOCC)c2)cc1 ZINC000289299943 335061371 /nfs/dbraw/zinc/06/13/71/335061371.db2.gz QVCYUPCKROBGSK-UHFFFAOYSA-N 0 3 323.436 3.511 20 30 DHEDHN CC(=O)Nc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000272758867 130061863 /nfs/dbraw/zinc/06/18/63/130061863.db2.gz PRLMXDBFQLVINX-KBPBESRZSA-N 0 3 307.397 3.928 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)c(F)c1 ZINC000274225513 130219933 /nfs/dbraw/zinc/21/99/33/130219933.db2.gz ZSARGPXLKWIKAO-MJGOQNOKSA-N 0 3 310.372 3.707 20 30 DHEDHN CCC[C@@H](NCc1ccc(C#N)s1)[C@@H](O)c1ccccc1 ZINC000279676251 130756866 /nfs/dbraw/zinc/75/68/66/130756866.db2.gz OBGSXSDAVRRVDX-SJORKVTESA-N 0 3 300.427 3.612 20 30 DHEDHN N#Cc1ccc(OC2CCN(CCCCCF)CC2)c(F)c1 ZINC000285467886 131171053 /nfs/dbraw/zinc/17/10/53/131171053.db2.gz KIPFAHMOBPFCRE-UHFFFAOYSA-N 0 3 308.372 3.680 20 30 DHEDHN C[C@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000287085366 131262923 /nfs/dbraw/zinc/26/29/23/131262923.db2.gz PAZLCZASJWAXLN-UGSOOPFHSA-N 0 3 314.816 3.986 20 30 DHEDHN Cc1nc2ccccc2n1CCCNCc1ccc(C#N)cc1F ZINC000298090123 132046503 /nfs/dbraw/zinc/04/65/03/132046503.db2.gz NWZIMYOYZDRXMT-UHFFFAOYSA-N 0 3 322.387 3.535 20 30 DHEDHN COc1ccc(CNCc2ccccc2)cc1OCCCC#N ZINC000064613433 335078226 /nfs/dbraw/zinc/07/82/26/335078226.db2.gz KQDHCZNGBCWRPQ-UHFFFAOYSA-N 0 3 310.397 3.668 20 30 DHEDHN Cc1nc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1C#N ZINC000488109036 429176370 /nfs/dbraw/zinc/17/63/70/429176370.db2.gz TXMSUENOIUEFOA-MAUKXSAKSA-N 0 3 306.413 3.509 20 30 DHEDHN N#Cc1cc(NC[C@@H]2CCN2C2CCCC2)nc2ccccc12 ZINC000528210398 429861933 /nfs/dbraw/zinc/86/19/33/429861933.db2.gz PDYPMJYYKXFGHB-INIZCTEOSA-N 0 3 306.413 3.535 20 30 DHEDHN COc1cccc(CNCCSCc2ccccc2C#N)c1 ZINC000170670685 332864340 /nfs/dbraw/zinc/86/43/40/332864340.db2.gz GWFOTZBGBXASNO-UHFFFAOYSA-N 0 3 312.438 3.590 20 30 DHEDHN C=CC[C@@H](CO)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000186685035 331466324 /nfs/dbraw/zinc/46/63/24/331466324.db2.gz YRBDYWKOEINXHI-WFASDCNBSA-N 0 3 302.443 3.706 20 30 DHEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C12CCCCC2 ZINC000533446178 331532185 /nfs/dbraw/zinc/53/21/85/331532185.db2.gz OCHZBGDJOLWBNK-ROUUACIJSA-N 0 3 316.420 3.915 20 30 DHEDHN C=CCCOCCN[C@H](C)c1ccc(Br)s1 ZINC000090883443 332053674 /nfs/dbraw/zinc/05/36/74/332053674.db2.gz SHNMIVLHIDNFLM-SNVBAGLBSA-N 0 3 304.253 3.754 20 30 DHEDHN CN(Cc1cc(Br)cn1C)CC(C)(C)CCC#N ZINC000091961811 332116014 /nfs/dbraw/zinc/11/60/14/332116014.db2.gz YPINAPGMVRDEPN-UHFFFAOYSA-N 0 3 312.255 3.549 20 30 DHEDHN C=CCN1CC[C@H](N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)C1=O ZINC000410380672 332121248 /nfs/dbraw/zinc/12/12/48/332121248.db2.gz HRMHKCGAGGKXEU-NEWSRXKRSA-N 0 3 312.457 3.555 20 30 DHEDHN C=CCCCN[C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000448027278 332197842 /nfs/dbraw/zinc/19/78/42/332197842.db2.gz MIORHMNOCUXYIL-GFCCVEGCSA-N 0 3 304.825 3.846 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000236753951 332202654 /nfs/dbraw/zinc/20/26/54/332202654.db2.gz TUCBZOMOPNCKDK-SFHVURJKSA-N 0 3 300.446 3.694 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Nc2ccccn2)CC1 ZINC000536369055 332232908 /nfs/dbraw/zinc/23/29/08/332232908.db2.gz GASVZMHFEBEANP-OAHLLOKOSA-N 0 3 306.413 3.591 20 30 DHEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1ccc(C#N)o1 ZINC000367524642 332257298 /nfs/dbraw/zinc/25/72/98/332257298.db2.gz CKXQTADHVWYVLD-ATZDWAIDSA-N 0 3 310.397 3.592 20 30 DHEDHN CN(C)[C@H](CNCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000531094433 332258467 /nfs/dbraw/zinc/25/84/67/332258467.db2.gz VYFRFGBHRJXPJX-GOSISDBHSA-N 0 3 313.832 3.604 20 30 DHEDHN C=CCOCCN1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000292917668 335097868 /nfs/dbraw/zinc/09/78/68/335097868.db2.gz XSXMNPSDHDEAEG-UHFFFAOYSA-N 0 3 320.820 3.863 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1occc1C(C)C)C(C)C ZINC000559561693 332271651 /nfs/dbraw/zinc/27/16/51/332271651.db2.gz KRIXNDRRFCSQBL-QGZVFWFLSA-N 0 3 318.461 3.831 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1occc1C(C)C)C(C)C ZINC000559561692 332271726 /nfs/dbraw/zinc/27/17/26/332271726.db2.gz KRIXNDRRFCSQBL-KRWDZBQOSA-N 0 3 318.461 3.831 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000569615682 332312934 /nfs/dbraw/zinc/31/29/34/332312934.db2.gz UNPAUAAYIWNZHT-MRXNPFEDSA-N 0 3 320.502 3.730 20 30 DHEDHN CN(CCNCc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000237157618 332316722 /nfs/dbraw/zinc/31/67/22/332316722.db2.gz JVDLQHBWCUOTTA-UHFFFAOYSA-N 0 3 323.440 3.595 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000237551431 332373958 /nfs/dbraw/zinc/37/39/58/332373958.db2.gz LRKDMCGFJNDCCH-YOEHRIQHSA-N 0 3 314.454 3.599 20 30 DHEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000561226029 332426703 /nfs/dbraw/zinc/42/67/03/332426703.db2.gz WAJXZHYLLCXFOG-GFCCVEGCSA-N 0 3 319.836 3.709 20 30 DHEDHN C=CCOc1cccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293768085 335113074 /nfs/dbraw/zinc/11/30/74/335113074.db2.gz YHEMHPNYYXCVCN-IBGZPJMESA-N 0 3 313.441 3.642 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000566799614 332572708 /nfs/dbraw/zinc/57/27/08/332572708.db2.gz HQLXHAHJWBDHJX-ZIAGYGMSSA-N 0 3 309.369 3.748 20 30 DHEDHN CN(c1ccccc1)c1ccc(CN2CCC(CC#N)CC2)cn1 ZINC000562444337 332594094 /nfs/dbraw/zinc/59/40/94/332594094.db2.gz YOMZCZVSELBLQG-UHFFFAOYSA-N 0 3 320.440 3.975 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H](CC3CC3)C2)c(OC(F)F)c1 ZINC000580219537 333020013 /nfs/dbraw/zinc/02/00/13/333020013.db2.gz PYDDRQBIYANHIC-CQSZACIVSA-N 0 3 306.356 3.782 20 30 DHEDHN C=CCCOCCN[C@H]1CCCSc2ccc(OC)cc21 ZINC000188277762 333041418 /nfs/dbraw/zinc/04/14/18/333041418.db2.gz IXRIJPSFQZSNJA-INIZCTEOSA-N 0 3 307.459 3.805 20 30 DHEDHN CC(C)(C#N)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000174853497 333091946 /nfs/dbraw/zinc/09/19/46/333091946.db2.gz YSYRSKWOBCYWQW-KRWDZBQOSA-N 0 3 316.445 3.703 20 30 DHEDHN CC(C)(C#N)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000174853497 333091947 /nfs/dbraw/zinc/09/19/47/333091947.db2.gz YSYRSKWOBCYWQW-KRWDZBQOSA-N 0 3 316.445 3.703 20 30 DHEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCCC(C)(C)C#N ZINC000175399270 333098432 /nfs/dbraw/zinc/09/84/32/333098432.db2.gz BHOKVFRZTPOMBE-SPLOXXLWSA-N 0 3 306.475 3.747 20 30 DHEDHN CN(C)[C@H](CNc1cccc(Cl)c1C#N)c1cccs1 ZINC000514485456 333138515 /nfs/dbraw/zinc/13/85/15/333138515.db2.gz XQIOCVUXANYGHQ-CQSZACIVSA-N 0 3 305.834 3.988 20 30 DHEDHN Cc1noc([C@@H]2CCCN(Cc3ccccc3C(C)(C)C#N)C2)n1 ZINC000178518031 333140165 /nfs/dbraw/zinc/14/01/65/333140165.db2.gz YUIMGKLONLGTOU-MRXNPFEDSA-N 0 3 324.428 3.559 20 30 DHEDHN C=CCC[C@@H](C(=O)N(C)CC1(N(C)C)CCC1)c1ccccc1 ZINC000188027237 333157267 /nfs/dbraw/zinc/15/72/67/333157267.db2.gz UVMNCSPVVQLGHO-GOSISDBHSA-N 0 3 314.473 3.679 20 30 DHEDHN CCN(CC)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)c1ccco1 ZINC000181624725 333170968 /nfs/dbraw/zinc/17/09/68/333170968.db2.gz KEZUTIDRXHJJDY-YJBOKZPZSA-N 0 3 311.429 3.885 20 30 DHEDHN C[C@H](c1cccnc1)N(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000183729795 333187145 /nfs/dbraw/zinc/18/71/45/333187145.db2.gz OVPKPTPUZKVZSP-MRXNPFEDSA-N 0 3 308.429 3.624 20 30 DHEDHN C[C@@H](CC(=O)OC(C)(C)C)N[C@H](CCC#N)c1ccccc1 ZINC000183915722 333189556 /nfs/dbraw/zinc/18/95/56/333189556.db2.gz XPSDVVMKBNOSTA-GOEBONIOSA-N 0 3 302.418 3.741 20 30 DHEDHN CC[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000185792335 333214088 /nfs/dbraw/zinc/21/40/88/333214088.db2.gz JAYLUWIXJDLIAP-NUEKZKHPSA-N 0 3 300.402 3.581 20 30 DHEDHN CC(C)(C)c1ccc([C@H](O)CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185831027 333214856 /nfs/dbraw/zinc/21/48/56/333214856.db2.gz DZTYBBWETNPCFB-BMGDILEWSA-N 0 3 300.446 3.689 20 30 DHEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000294963701 335129602 /nfs/dbraw/zinc/12/96/02/335129602.db2.gz MUOBTQAWOJDIHJ-SJLPKXTDSA-N 0 3 314.473 3.710 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC([C@@H]2CCCO2)CC1 ZINC000189143980 333255234 /nfs/dbraw/zinc/25/52/34/333255234.db2.gz UVDHTPJFMFLYPY-IBGZPJMESA-N 0 3 312.457 3.879 20 30 DHEDHN N#CCOc1ccc(CNCc2ccc(OCC3CC3)cc2)cc1 ZINC000190965614 333276055 /nfs/dbraw/zinc/27/60/55/333276055.db2.gz LAKGZJSXCFNWGI-UHFFFAOYSA-N 0 3 322.408 3.668 20 30 DHEDHN C[C@@H](NCCCCC#N)c1nnc(-c2cccc(F)c2)s1 ZINC000364330869 333289155 /nfs/dbraw/zinc/28/91/55/333289155.db2.gz WOHUVJPSEJSWMX-LLVKDONJSA-N 0 3 304.394 3.689 20 30 DHEDHN N#Cc1cccc(OCCN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000498900583 333310892 /nfs/dbraw/zinc/31/08/92/333310892.db2.gz XOJSSTNFKRHIQB-UHFFFAOYSA-N 0 3 322.408 3.555 20 30 DHEDHN C=CCC[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccco1 ZINC000364969233 333333558 /nfs/dbraw/zinc/33/35/58/333333558.db2.gz IBZHHPWEMPGPQZ-HOCLYGCPSA-N 0 3 315.392 3.690 20 30 DHEDHN N#Cc1ccc(OCCN2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000521424412 333380155 /nfs/dbraw/zinc/38/01/55/333380155.db2.gz ANKYULFDMKOVPE-IBGZPJMESA-N 0 3 324.399 3.783 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000185556287 335139373 /nfs/dbraw/zinc/13/93/73/335139373.db2.gz KKEQLVVXHATIKV-QGZVFWFLSA-N 0 3 314.473 3.712 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000295845708 335140107 /nfs/dbraw/zinc/14/01/07/335140107.db2.gz ARTSXICFXFUQIK-HNNXBMFYSA-N 0 3 311.429 3.635 20 30 DHEDHN C=CCN1CC[C@@H](N[C@H](CC2CCCC2)c2ccccc2)C1=O ZINC000337181271 333442564 /nfs/dbraw/zinc/44/25/64/333442564.db2.gz MKOLKAAOMGIVKM-RTBURBONSA-N 0 3 312.457 3.685 20 30 DHEDHN Cc1ccc(OC2CCN(CCCCC(C)(C)C#N)CC2)nc1 ZINC000369339932 333450277 /nfs/dbraw/zinc/45/02/77/333450277.db2.gz RFSIGCDKYYQMTF-UHFFFAOYSA-N 0 3 315.461 3.953 20 30 DHEDHN COCCSc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000339076045 333508171 /nfs/dbraw/zinc/50/81/71/333508171.db2.gz RJRIFHYVWYDSQH-OFQRWUPVSA-N 0 3 304.459 3.768 20 30 DHEDHN COCCSc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000339076046 333508270 /nfs/dbraw/zinc/50/82/70/333508270.db2.gz RJRIFHYVWYDSQH-SQWLQELKSA-N 0 3 304.459 3.768 20 30 DHEDHN COc1ccc2nc3c(c(N4CCC(C#N)CC4)c2c1)CCCC3 ZINC000413092862 333832096 /nfs/dbraw/zinc/83/20/96/333832096.db2.gz MJQMSTKRXKFJJV-UHFFFAOYSA-N 0 3 321.424 3.862 20 30 DHEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1CN(C)C ZINC000413989374 333886660 /nfs/dbraw/zinc/88/66/60/333886660.db2.gz QUPYTUCUVXMVTG-IBGZPJMESA-N 0 3 322.452 3.665 20 30 DHEDHN CCN(Cc1ccc(OC)cc1OC)CC(C)(C)CCC#N ZINC000271113050 334018797 /nfs/dbraw/zinc/01/87/97/334018797.db2.gz VFVOHRMNZJKQQV-UHFFFAOYSA-N 0 3 304.434 3.856 20 30 DHEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(OCC#N)cc1)CCC2 ZINC000271494312 334024193 /nfs/dbraw/zinc/02/41/93/334024193.db2.gz PNWUBXDMPVIZEE-FQEVSTJZSA-N 0 3 322.408 3.765 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1C ZINC000272852393 334040385 /nfs/dbraw/zinc/04/03/85/334040385.db2.gz HXUREXKQNPYXLI-HNNXBMFYSA-N 0 3 310.397 3.757 20 30 DHEDHN CC(C)(C#N)CCCN1CCN(c2cncc3ccccc32)CC1 ZINC000276263536 334075280 /nfs/dbraw/zinc/07/52/80/334075280.db2.gz BKXBLYCEFWADCN-UHFFFAOYSA-N 0 3 322.456 3.687 20 30 DHEDHN C[C@H](CCC#N)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000276330287 334075719 /nfs/dbraw/zinc/07/57/19/334075719.db2.gz QYYXWAUDROTVML-CXAGYDPISA-N 0 3 306.837 3.778 20 30 DHEDHN COCCN(CCCCC(C)(C)C#N)Cc1ccc(C#N)cc1 ZINC000277817973 334091176 /nfs/dbraw/zinc/09/11/76/334091176.db2.gz VKVHBQVHSTVGHW-UHFFFAOYSA-N 0 3 313.445 3.727 20 30 DHEDHN CCCC[C@@H](CC)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279144869 334106144 /nfs/dbraw/zinc/10/61/44/334106144.db2.gz AAVYGXXUMUVBAF-QAPCUYQASA-N 0 3 311.429 3.573 20 30 DHEDHN CCC1(CC)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280188610 334114884 /nfs/dbraw/zinc/11/48/84/334114884.db2.gz DQMREHACIVQXMU-SFHVURJKSA-N 0 3 323.440 3.669 20 30 DHEDHN CC(C)[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280434570 334117410 /nfs/dbraw/zinc/11/74/10/334117410.db2.gz MPBYMWKGPRQBNH-OALUTQOASA-N 0 3 323.440 3.525 20 30 DHEDHN CCC[C@@]1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280540700 334118140 /nfs/dbraw/zinc/11/81/40/334118140.db2.gz ZEGHCLWXIZVZDM-QUCCMNQESA-N 0 3 323.440 3.669 20 30 DHEDHN N#CC1(CCCN(Cc2ccccc2F)C2CC2)CCOCC1 ZINC000281952927 334130028 /nfs/dbraw/zinc/13/00/28/334130028.db2.gz JTEUGQKHHHSQOP-UHFFFAOYSA-N 0 3 316.420 3.891 20 30 DHEDHN N#CCCCCNCc1c(F)ccc(Br)c1F ZINC000281982217 334130161 /nfs/dbraw/zinc/13/01/61/334130161.db2.gz KTQRNLJRRRHQNV-UHFFFAOYSA-N 0 3 303.150 3.511 20 30 DHEDHN CCC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1[O-] ZINC000282120838 334131625 /nfs/dbraw/zinc/13/16/25/334131625.db2.gz XUCJORHWAHYOMQ-UHFFFAOYSA-N 0 3 316.445 3.705 20 30 DHEDHN CCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1[O-] ZINC000282120838 334131627 /nfs/dbraw/zinc/13/16/27/334131627.db2.gz XUCJORHWAHYOMQ-UHFFFAOYSA-N 0 3 316.445 3.705 20 30 DHEDHN CCC(CC)CN(CC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000343590156 335179937 /nfs/dbraw/zinc/17/99/37/335179937.db2.gz OBUIFAMYHRTHNY-CYBMUJFWSA-N 0 3 319.449 3.853 20 30 DHEDHN C[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCC1(F)F ZINC000291558823 334179812 /nfs/dbraw/zinc/17/98/12/334179812.db2.gz MVSUGXNBBCHSIS-AWEZNQCLSA-N 0 3 307.388 3.514 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000582144219 334270420 /nfs/dbraw/zinc/27/04/20/334270420.db2.gz CDAJEZIDOMKNEM-AEFFLSMTSA-N 0 3 320.502 3.730 20 30 DHEDHN N#CC(C(=O)c1ccc(Cl)s1)c1nc2ccccc2[nH]1 ZINC000048520489 334287225 /nfs/dbraw/zinc/28/72/25/334287225.db2.gz SEPZKGSCNBJRGU-QMMMGPOBSA-N 0 3 301.758 3.768 20 30 DHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC(C)C)c1 ZINC000340671929 334298588 /nfs/dbraw/zinc/29/85/88/334298588.db2.gz DZSWSGDVRVURHW-QGZVFWFLSA-N 0 3 315.461 3.526 20 30 DHEDHN Cc1cccc(NC(=O)C[C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000531951127 334309138 /nfs/dbraw/zinc/30/91/38/334309138.db2.gz AAIZURXFMMFIPN-JKSUJKDBSA-N 0 3 321.424 3.935 20 30 DHEDHN COc1ccccc1[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000340868378 334391835 /nfs/dbraw/zinc/39/18/35/334391835.db2.gz AUPMBZSEEVXBHD-HNNXBMFYSA-N 0 3 310.372 3.695 20 30 DHEDHN CC[C@H](NCCOc1ccccc1C#N)c1ccc(F)cc1F ZINC000341856286 334485346 /nfs/dbraw/zinc/48/53/46/334485346.db2.gz TTZIHAXAUQJBPV-KRWDZBQOSA-N 0 3 316.351 3.956 20 30 DHEDHN C=CCC[C@H](NCC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000341950888 334495344 /nfs/dbraw/zinc/49/53/44/334495344.db2.gz YVVLGKVVNFVRAZ-LNLFQRSKSA-N 0 3 314.473 3.788 20 30 DHEDHN CC[C@H](C)N[C@@H](CNc1ncc(C#N)cc1Cl)c1ccco1 ZINC000343269759 334890437 /nfs/dbraw/zinc/89/04/37/334890437.db2.gz ZDKSQHHBTISDCD-FZMZJTMJSA-N 0 3 318.808 3.741 20 30 DHEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000343691629 335188573 /nfs/dbraw/zinc/18/85/73/335188573.db2.gz NWYJCFIMCSKHEB-GOSISDBHSA-N 0 3 322.408 3.765 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCOCc1ccc(C#N)cc1 ZINC000344134699 335220765 /nfs/dbraw/zinc/22/07/65/335220765.db2.gz YZZJOPJASIRHPE-MRXNPFEDSA-N 0 3 319.408 3.640 20 30 DHEDHN N#Cc1csc(CNC[C@H]2SCCc3ccccc32)c1 ZINC000344778324 335276917 /nfs/dbraw/zinc/27/69/17/335276917.db2.gz RHZRWPPDDJUQKH-MRXNPFEDSA-N 0 3 300.452 3.740 20 30 DHEDHN N#Cc1ccc(CNCCc2nc3cc(Cl)ccc3s2)o1 ZINC000344924704 335289319 /nfs/dbraw/zinc/28/93/19/335289319.db2.gz WVLWKNSSHCJTFT-UHFFFAOYSA-N 0 3 317.801 3.747 20 30 DHEDHN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)C(C)C#N)cc1 ZINC000345625902 335337810 /nfs/dbraw/zinc/33/78/10/335337810.db2.gz JPWMAVJWYSFREW-DNVCBOLYSA-N 0 3 321.424 3.742 20 30 DHEDHN CO[C@H](c1ccccc1F)[C@@H](C)NCc1cc(C#N)cs1 ZINC000345690031 335342259 /nfs/dbraw/zinc/34/22/59/335342259.db2.gz GMLLZGQYOFGQRO-BZNIZROVSA-N 0 3 304.390 3.625 20 30 DHEDHN CCCCCOc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000345853725 335355779 /nfs/dbraw/zinc/35/57/79/335355779.db2.gz VIGDNMZNYXEKCI-ZIAGYGMSSA-N 0 3 318.417 3.601 20 30 DHEDHN Cc1c([C@@H](C)NCCC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000346968304 335454640 /nfs/dbraw/zinc/45/46/40/335454640.db2.gz PRVLTIGNGMZNMK-CYBMUJFWSA-N 0 3 314.408 3.910 20 30 DHEDHN CN(C)c1ccccc1CNCc1cccc(OCCCC#N)c1 ZINC000347834437 335531435 /nfs/dbraw/zinc/53/14/35/335531435.db2.gz GUFKCYMSOKFUGN-UHFFFAOYSA-N 0 3 323.440 3.725 20 30 DHEDHN C=CC[C@@H](CO)N[C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000349754251 335696266 /nfs/dbraw/zinc/69/62/66/335696266.db2.gz CGMDYBJLWXGVET-MFKMUULPSA-N 0 3 308.472 3.768 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC1CCCC1)C(C)C ZINC000519924144 335914363 /nfs/dbraw/zinc/91/43/63/335914363.db2.gz OWNIVTHDBYIXCD-SFHVURJKSA-N 0 3 321.509 3.517 20 30 DHEDHN CC(C)[C@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000332697536 336179279 /nfs/dbraw/zinc/17/92/79/336179279.db2.gz WENHXQXBTRAGNU-IAGOWNOFSA-N 0 3 324.428 3.913 20 30 DHEDHN C[C@@H]1CCC[C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1C ZINC000332713723 336179888 /nfs/dbraw/zinc/17/98/88/336179888.db2.gz YQQCHJQBOVEULF-XJKCOSOUSA-N 0 3 310.401 3.523 20 30 DHEDHN CC(C)(CO)[C@@H](NCc1ccc(CC#N)cc1)c1cccs1 ZINC000351984573 336185690 /nfs/dbraw/zinc/18/56/90/336185690.db2.gz YIXUETNDFPEGAZ-KRWDZBQOSA-N 0 3 314.454 3.664 20 30 DHEDHN C=C(C)COc1cc(CN(CC)C[C@@H]2CCCO2)ccc1OC ZINC000352653250 336228920 /nfs/dbraw/zinc/22/89/20/336228920.db2.gz VPMJOCSWMTZUAF-KRWDZBQOSA-N 0 3 319.445 3.651 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000532378489 336243983 /nfs/dbraw/zinc/24/39/83/336243983.db2.gz JIKDJLZNJGAALD-GOSISDBHSA-N 0 3 317.473 3.980 20 30 DHEDHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000192755578 336260613 /nfs/dbraw/zinc/26/06/13/336260613.db2.gz YDPPVAQZSCQTJK-UONOGXRCSA-N 0 3 310.397 3.987 20 30 DHEDHN COCCCN(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193045765 336287360 /nfs/dbraw/zinc/28/73/60/336287360.db2.gz JSPMZBNKCZKXQJ-UHFFFAOYSA-N 0 3 322.452 3.855 20 30 DHEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1F)c1cccc(F)c1 ZINC000301176410 336293491 /nfs/dbraw/zinc/29/34/91/336293491.db2.gz MNRFCPSRGQZWOA-KRWDZBQOSA-N 0 3 301.340 3.551 20 30 DHEDHN CN(C)[C@@H](CNc1cc(C#N)nc2ccccc21)c1cccs1 ZINC000301354085 336302099 /nfs/dbraw/zinc/30/20/99/336302099.db2.gz NTIPWWWHTMHKIJ-KRWDZBQOSA-N 0 3 322.437 3.883 20 30 DHEDHN C=CCN1CCC(Nc2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000301387334 336303888 /nfs/dbraw/zinc/30/38/88/336303888.db2.gz DGCORFHHTSHASX-UHFFFAOYSA-N 0 3 324.403 3.616 20 30 DHEDHN C=CCN1CCC(Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000301401647 336304478 /nfs/dbraw/zinc/30/44/78/336304478.db2.gz QMNLZFBYSFOXSR-UHFFFAOYSA-N 0 3 301.821 3.951 20 30 DHEDHN C=CCN1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301414529 336305225 /nfs/dbraw/zinc/30/52/25/336305225.db2.gz ZQMRBOJIYGBCNZ-UHFFFAOYSA-N 0 3 309.335 3.639 20 30 DHEDHN CC1=CCN(CCNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000302159361 336351554 /nfs/dbraw/zinc/35/15/54/336351554.db2.gz OXSHHZOEALVOPM-UHFFFAOYSA-N 0 3 309.335 3.641 20 30 DHEDHN CC1=CCN(CCNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000302182945 336352931 /nfs/dbraw/zinc/35/29/31/336352931.db2.gz FUHZPGPORJIBIY-UHFFFAOYSA-N 0 3 309.335 3.641 20 30 DHEDHN N#Cc1cccc(C#N)c1NC1CCN(Cc2ccccc2)CC1 ZINC000302435926 336358904 /nfs/dbraw/zinc/35/89/04/336358904.db2.gz MHUCTOPVZYNLPK-UHFFFAOYSA-N 0 3 316.408 3.506 20 30 DHEDHN C=CCN1CCC(Nc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302680747 336364723 /nfs/dbraw/zinc/36/47/23/336364723.db2.gz OXGNQHUJSXOELD-UHFFFAOYSA-N 0 3 309.797 3.619 20 30 DHEDHN CCOc1cc(CN2CCC(CCC#N)CC2)ccc1OC ZINC000514604878 336385831 /nfs/dbraw/zinc/38/58/31/336385831.db2.gz FOPCCPTXJDMJBZ-UHFFFAOYSA-N 0 3 302.418 3.610 20 30 DHEDHN COc1cc(CNCc2cc3c(s2)CCCC3)ccc1C#N ZINC000514650286 336390377 /nfs/dbraw/zinc/39/03/77/336390377.db2.gz NCWYWVIBENTIKJ-UHFFFAOYSA-N 0 3 312.438 3.797 20 30 DHEDHN C=CCc1cc(CNCC2(C(F)(F)F)CC2)cc(OC)c1O ZINC000353056512 336391903 /nfs/dbraw/zinc/39/19/03/336391903.db2.gz VJRLZHXXGFHENZ-UHFFFAOYSA-N 0 3 315.335 3.561 20 30 DHEDHN C[C@@H](NCC1(c2ccccn2)CCC1)c1ccc(C#N)c(F)c1 ZINC000353957798 336451222 /nfs/dbraw/zinc/45/12/22/336451222.db2.gz RJBYYXMVLLNBPJ-CQSZACIVSA-N 0 3 309.388 3.865 20 30 DHEDHN CCCCOC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000357294723 336579630 /nfs/dbraw/zinc/57/96/30/336579630.db2.gz AFNJTANYWUUUKM-UHFFFAOYSA-N 0 3 316.445 3.608 20 30 DHEDHN Cc1nc2ccccc2n1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358552889 336634356 /nfs/dbraw/zinc/63/43/56/336634356.db2.gz HMVFROBEHWPEFG-ZDUSSCGKSA-N 0 3 322.387 3.706 20 30 DHEDHN CN(C)[C@H](CN[C@H]1CCCCc2cc(C#N)ccc21)c1ccco1 ZINC000360823016 336723171 /nfs/dbraw/zinc/72/31/71/336723171.db2.gz UAVODESPMSRBQI-RBUKOAKNSA-N 0 3 323.440 3.811 20 30 DHEDHN N#Cc1c(F)ccc(CN[C@H]2CCCC23CCOCC3)c1Cl ZINC000370594061 336888163 /nfs/dbraw/zinc/88/81/63/336888163.db2.gz QTBFQFODFZQNKO-HNNXBMFYSA-N 0 3 322.811 3.790 20 30 DHEDHN Cc1ccc2ncc(CN[C@@H]3CCCc4cc(C#N)ccc43)n2c1 ZINC000418141871 336896502 /nfs/dbraw/zinc/89/65/02/336896502.db2.gz GKZRHIKLRRSMCJ-LJQANCHMSA-N 0 3 316.408 3.682 20 30 DHEDHN Cc1nc2ccccn2c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418141864 336896545 /nfs/dbraw/zinc/89/65/45/336896545.db2.gz GKMOTWRYMCJQQB-GOSISDBHSA-N 0 3 316.408 3.682 20 30 DHEDHN N#CC1(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000418143294 336896633 /nfs/dbraw/zinc/89/66/33/336896633.db2.gz PBLOGTDOVRTLLM-GOEBONIOSA-N 0 3 313.401 3.589 20 30 DHEDHN C[C@@H](N[C@@H]1CCSC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372056349 336920548 /nfs/dbraw/zinc/92/05/48/336920548.db2.gz NEPDESPJJAUFDS-BXUZGUMPSA-N 0 3 315.467 3.838 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2/C=C/c2cccs2)cc1 ZINC000375150929 337004479 /nfs/dbraw/zinc/00/44/79/337004479.db2.gz HSRDPWXRIUPQGL-TXLWSROUSA-N 0 3 324.449 3.831 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(F)(c2cccnc2)CC1 ZINC000375338856 337008387 /nfs/dbraw/zinc/00/83/87/337008387.db2.gz TYDQTXXMNCGPAB-OAHLLOKOSA-N 0 3 309.388 3.975 20 30 DHEDHN N#Cc1cccc(CN2CCC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000122624507 337016779 /nfs/dbraw/zinc/01/67/79/337016779.db2.gz XWRWRSBXQYAGET-LJQANCHMSA-N 0 3 304.393 3.796 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000122659059 337017643 /nfs/dbraw/zinc/01/76/43/337017643.db2.gz VMXYPUYZODVNIO-IBGZPJMESA-N 0 3 304.393 3.796 20 30 DHEDHN CCCc1noc(-c2cccc(CN[C@H]3CCC[C@H](C#N)C3)c2)n1 ZINC000375721075 337017709 /nfs/dbraw/zinc/01/77/09/337017709.db2.gz URFQMOOJLKYHEA-YOEHRIQHSA-N 0 3 324.428 3.861 20 30 DHEDHN CN1CCC[C@@H](CNc2cc(C#N)ccn2)[C@@H]1c1cccs1 ZINC000376449698 337033712 /nfs/dbraw/zinc/03/37/12/337033712.db2.gz QINAIQZVJRFNJA-WMLDXEAASA-N 0 3 312.442 3.510 20 30 DHEDHN CC[C@H](NC[C@@H]1OCCc2ccccc21)c1ccc(C#N)cc1 ZINC000376479942 337034433 /nfs/dbraw/zinc/03/44/33/337034433.db2.gz WDUQVXRWAYYTRS-PMACEKPBSA-N 0 3 306.409 3.913 20 30 DHEDHN C[C@@H](Cc1ccccc1)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000376649483 337039152 /nfs/dbraw/zinc/03/91/52/337039152.db2.gz UXTLMAMQTNHVKQ-SFHVURJKSA-N 0 3 319.452 3.818 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC=C(c3ccco3)C2)cc1 ZINC000377699433 337058921 /nfs/dbraw/zinc/05/89/21/337058921.db2.gz MHSCVJQLFXBBJA-OAHLLOKOSA-N 0 3 308.381 3.860 20 30 DHEDHN C[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1ccc(C#N)cc1Cl ZINC000378152830 337067246 /nfs/dbraw/zinc/06/72/46/337067246.db2.gz UJFJXDQTEYHYNQ-FJNPEDAXSA-N 0 3 312.800 3.521 20 30 DHEDHN C=CCOc1cccc(CN[C@@H]2CN(C)Cc3ccccc32)c1 ZINC000378269237 337069167 /nfs/dbraw/zinc/06/91/67/337069167.db2.gz HMWOMGFCXHPEAH-HXUWFJFHSA-N 0 3 308.425 3.528 20 30 DHEDHN C=CCOc1cccc(CN2CCC[C@H]2c2cnn(C)c2C)c1 ZINC000378370067 337071010 /nfs/dbraw/zinc/07/10/10/337071010.db2.gz KQGSMANWXHOOKJ-IBGZPJMESA-N 0 3 311.429 3.630 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@H](c2ccccc2)[C@@H](C)CC)CC1 ZINC000172291497 337091151 /nfs/dbraw/zinc/09/11/51/337091151.db2.gz XARHDFLLHJHIDM-LPHOPBHVSA-N 0 3 314.473 3.583 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@@H](c2ccccc2)[C@@H](C)CC)CC1 ZINC000172291506 337091180 /nfs/dbraw/zinc/09/11/80/337091180.db2.gz XARHDFLLHJHIDM-QFBILLFUSA-N 0 3 314.473 3.583 20 30 DHEDHN C=CCOCCCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000173446580 337135108 /nfs/dbraw/zinc/13/51/08/337135108.db2.gz LBOAXWCZRSNNAJ-UHFFFAOYSA-N 0 3 316.445 3.594 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000179370342 337167470 /nfs/dbraw/zinc/16/74/70/337167470.db2.gz WROFIJZTFALZBJ-ZIAGYGMSSA-N 0 3 308.491 3.829 20 30 DHEDHN N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H](N2CCCCC2)C1 ZINC000321191812 337204798 /nfs/dbraw/zinc/20/47/98/337204798.db2.gz FFBMIRBRUJPPIM-HNNXBMFYSA-N 0 3 323.362 3.642 20 30 DHEDHN CCN(CCc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583087428 337233707 /nfs/dbraw/zinc/23/37/07/337233707.db2.gz UOPKIHURBNRDTR-UHFFFAOYSA-N 0 3 309.369 3.531 20 30 DHEDHN CC#CCCCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000185586234 337249252 /nfs/dbraw/zinc/24/92/52/337249252.db2.gz PPBKSCGPFAQXDI-QGZVFWFLSA-N 0 3 312.457 3.522 20 30 DHEDHN CC#CCCCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000185586215 337249278 /nfs/dbraw/zinc/24/92/78/337249278.db2.gz PPBKSCGPFAQXDI-KRWDZBQOSA-N 0 3 312.457 3.522 20 30 DHEDHN N#Cc1ccc(CN[C@H](CN2CCCC2)c2ccccc2)cc1F ZINC000192150344 337303308 /nfs/dbraw/zinc/30/33/08/337303308.db2.gz HFQBDHJTLVAEJS-HXUWFJFHSA-N 0 3 323.415 3.624 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2OCc2ccccc2)cc1F ZINC000421344845 337527682 /nfs/dbraw/zinc/52/76/82/337527682.db2.gz VEHWKCPWINERRE-PMACEKPBSA-N 0 3 324.399 3.925 20 30 DHEDHN C[C@@H]1CCc2ccccc2[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000572185179 337595607 /nfs/dbraw/zinc/59/56/07/337595607.db2.gz DPBWLDIZUCUHHH-VLIAUNLRSA-N 0 3 316.408 3.619 20 30 DHEDHN C#CC[C@H](N[C@@H](C)CC(=O)N1CCCCCC1)c1ccccc1 ZINC000271589243 337644916 /nfs/dbraw/zinc/64/49/16/337644916.db2.gz YCNIYZHBGKIIII-HKUYNNGSSA-N 0 3 312.457 3.522 20 30 DHEDHN C=C[C@@H](CC(=O)N(C)[C@H](C)C1CCN(C)CC1)c1ccccc1 ZINC000272151845 337647608 /nfs/dbraw/zinc/64/76/08/337647608.db2.gz GIDWNDRXCONXIP-SJORKVTESA-N 0 3 314.473 3.535 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c(F)c1 ZINC000527752131 337761583 /nfs/dbraw/zinc/76/15/83/337761583.db2.gz YXSJZWSZLYWJDQ-CGTJXYLNSA-N 0 3 312.775 3.779 20 30 DHEDHN COc1cc(OC)c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000424337596 337822908 /nfs/dbraw/zinc/82/29/08/337822908.db2.gz ZPQOWNOIVYJMBN-GRYCIOLGSA-N 0 3 308.809 3.700 20 30 DHEDHN CC(C)Oc1ccc(CCNCc2ccc(C#N)cc2F)cc1 ZINC000533312161 337840698 /nfs/dbraw/zinc/84/06/98/337840698.db2.gz JVQXXXXFUNSBFQ-UHFFFAOYSA-N 0 3 312.388 3.817 20 30 DHEDHN C[C@@H](NCCN1c2ccccc2C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000537408187 337933846 /nfs/dbraw/zinc/93/38/46/337933846.db2.gz YJNPIMMONUMHSQ-LSDHHAIUSA-N 0 3 323.415 3.799 20 30 DHEDHN CCOC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000515159457 337981251 /nfs/dbraw/zinc/98/12/51/337981251.db2.gz BKYOUHGQBQIHRX-OAHLLOKOSA-N 0 3 314.351 3.728 20 30 DHEDHN CCN(CCc1cccs1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516476224 338013376 /nfs/dbraw/zinc/01/33/76/338013376.db2.gz OZYCCOOMGXGMFE-UHFFFAOYSA-N 0 3 315.398 3.593 20 30 DHEDHN CCCN(Cc1cccc(F)c1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000428220055 338042974 /nfs/dbraw/zinc/04/29/74/338042974.db2.gz ZZZBQNCOSSTLGO-QGTPRVQTSA-N 0 3 316.420 3.723 20 30 DHEDHN CC(C#N)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000448450517 338061285 /nfs/dbraw/zinc/06/12/85/338061285.db2.gz ARVWVVMFXBMGBP-LLVKDONJSA-N 0 3 308.834 3.583 20 30 DHEDHN CC1(C)CN(c2ccc(Cl)cc2)CCN1CCCCC#N ZINC000429296208 338077096 /nfs/dbraw/zinc/07/70/96/338077096.db2.gz RJWATASISDADNO-UHFFFAOYSA-N 0 3 305.853 3.934 20 30 DHEDHN C=CCN1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000429405018 338079694 /nfs/dbraw/zinc/07/96/94/338079694.db2.gz IHCLVAXYMKROLO-FQEVSTJZSA-N 0 3 300.490 3.838 20 30 DHEDHN CC[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000429768648 338089370 /nfs/dbraw/zinc/08/93/70/338089370.db2.gz UEMJNOXXCQXNER-DOMZBBRYSA-N 0 3 307.235 3.989 20 30 DHEDHN C=CCc1cc(CN2CCC[C@H](CSC)C2)cc(OC)c1O ZINC000430190638 338100340 /nfs/dbraw/zinc/10/03/40/338100340.db2.gz GSFQQQWBFACNOP-AWEZNQCLSA-N 0 3 321.486 3.704 20 30 DHEDHN CCOc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1OCC ZINC000430725865 338112448 /nfs/dbraw/zinc/11/24/48/338112448.db2.gz RYJMMZUYERYPLV-CQSZACIVSA-N 0 3 302.418 3.828 20 30 DHEDHN N#CCC1(CN[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000430740217 338112926 /nfs/dbraw/zinc/11/29/26/338112926.db2.gz FXKVSMBKZNOCKR-CQSZACIVSA-N 0 3 305.219 3.720 20 30 DHEDHN COc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1Br ZINC000430753325 338113645 /nfs/dbraw/zinc/11/36/45/338113645.db2.gz IDJNPKCUDSVEET-LLVKDONJSA-N 0 3 323.234 3.802 20 30 DHEDHN Cc1ccc(NC(=O)C[C@H](C)NCC2(CC#N)CC2)c(Cl)c1 ZINC000430758819 338113943 /nfs/dbraw/zinc/11/39/43/338113943.db2.gz VXSXUEXGJDLIAC-ZDUSSCGKSA-N 0 3 319.836 3.649 20 30 DHEDHN CCC(CC)n1nccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000431270929 338127130 /nfs/dbraw/zinc/12/71/30/338127130.db2.gz UKTCLNLJOOWGHO-ZDUSSCGKSA-N 0 3 321.384 3.611 20 30 DHEDHN C=CCN1CCC(NCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432242209 338150081 /nfs/dbraw/zinc/15/00/81/338150081.db2.gz XJUPTUVVYOMBJM-UHFFFAOYSA-N 0 3 317.235 3.873 20 30 DHEDHN CC(C)C1CCC(N(C)Cc2cnc3ccc(C#N)cn23)CC1 ZINC000433029752 338177363 /nfs/dbraw/zinc/17/73/63/338177363.db2.gz HUKFKMBNMIJYFD-UHFFFAOYSA-N 0 3 310.445 3.853 20 30 DHEDHN C=C(C)CN1CCC(Nc2nccc(Oc3ccccc3)n2)CC1 ZINC000433052985 338178805 /nfs/dbraw/zinc/17/88/05/338178805.db2.gz OGXBPAHZLSHEQW-UHFFFAOYSA-N 0 3 324.428 3.721 20 30 DHEDHN Cc1nc2ccc(C(=O)C(C#N)c3cc(C)nc(C)n3)cc2s1 ZINC000433107244 338182111 /nfs/dbraw/zinc/18/21/11/338182111.db2.gz VNJUAPMYAVWNLY-ZDUSSCGKSA-N 0 3 322.393 3.502 20 30 DHEDHN CC(C)(CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000433217865 338186326 /nfs/dbraw/zinc/18/63/26/338186326.db2.gz GTCXUFBGQXHVPG-GOSISDBHSA-N 0 3 320.436 3.853 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCc2occc21 ZINC000433225529 338186608 /nfs/dbraw/zinc/18/66/08/338186608.db2.gz IVXUHIJDFIYFGK-DOTOQJQBSA-N 0 3 308.381 3.546 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(Cl)s1 ZINC000433229284 338186787 /nfs/dbraw/zinc/18/67/87/338186787.db2.gz BUVSNKNUXUYDMD-CYBMUJFWSA-N 0 3 318.829 3.790 20 30 DHEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@H]1c1ccccc1 ZINC000433369832 338193932 /nfs/dbraw/zinc/19/39/32/338193932.db2.gz AGSCKNHBTOSEFV-LSTHTHJFSA-N 0 3 318.420 3.979 20 30 DHEDHN CCS[C@@H]1CCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000433371169 338194054 /nfs/dbraw/zinc/19/40/54/338194054.db2.gz CIYOARPDUSVUQU-YESZJQIVSA-N 0 3 316.470 3.549 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(-c2ccccc2)s1 ZINC000435726530 338246345 /nfs/dbraw/zinc/24/63/45/338246345.db2.gz QJSZIGFPQNSQGF-YJBOKZPZSA-N 0 3 314.454 3.881 20 30 DHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(-c2ccccc2)s1 ZINC000435726528 338246408 /nfs/dbraw/zinc/24/64/08/338246408.db2.gz QJSZIGFPQNSQGF-MAUKXSAKSA-N 0 3 314.454 3.881 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(-c2ccccc2)n1 ZINC000435732942 338246851 /nfs/dbraw/zinc/24/68/51/338246851.db2.gz SKHOHVUUCSKBTG-RDJZCZTQSA-N 0 3 314.454 3.881 20 30 DHEDHN COc1ccc(C#N)cc1CN1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000437849369 338323339 /nfs/dbraw/zinc/32/33/39/338323339.db2.gz GCVOFULZAPKVRI-YJBOKZPZSA-N 0 3 306.409 3.945 20 30 DHEDHN C=C(C)[C@H](NCC1(CC(=O)OC)CC1)c1ccc(F)c(F)c1 ZINC000440500917 338388726 /nfs/dbraw/zinc/38/87/26/338388726.db2.gz CNQOMFDKEWWPEN-INIZCTEOSA-N 0 3 309.356 3.515 20 30 DHEDHN CC[C@H](CNCc1ccc(C#N)c(OC)c1)Oc1ccccc1C ZINC000440615193 338392576 /nfs/dbraw/zinc/39/25/76/338392576.db2.gz QTPVPINSEARTJI-GOSISDBHSA-N 0 3 324.424 3.823 20 30 DHEDHN COc1cccc(Oc2ccc(CN[C@H]3CC[C@H](C#N)C3)cn2)c1 ZINC000442713448 338428891 /nfs/dbraw/zinc/42/88/91/338428891.db2.gz WQROXCGYEKODSC-HOCLYGCPSA-N 0 3 323.396 3.664 20 30 DHEDHN N#C[C@H]1CC[C@H](NCc2ccc(Oc3cccc(F)c3)nc2)C1 ZINC000442781659 338430808 /nfs/dbraw/zinc/43/08/08/338430808.db2.gz NESHBVSVWHFIQG-BBRMVZONSA-N 0 3 311.360 3.795 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000442792143 338431672 /nfs/dbraw/zinc/43/16/72/338431672.db2.gz LQCDIPDKODBKCR-DZGCQCFKSA-N 0 3 311.360 3.795 20 30 DHEDHN Cc1c([C@H](C)NCC2CCC(C#N)CC2)nnn1-c1ccccc1 ZINC000442867736 338436208 /nfs/dbraw/zinc/43/62/08/338436208.db2.gz MGWWYXZGWHWMFU-OOHWJJMZSA-N 0 3 323.444 3.556 20 30 DHEDHN C=CCC[C@@H](NC(=O)N(CCN(C)C)C(C)C)c1ccccc1 ZINC000159801175 338532487 /nfs/dbraw/zinc/53/24/87/338532487.db2.gz MVFBQCTVBOEEBP-GOSISDBHSA-N 0 3 317.477 3.676 20 30 DHEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)c(C#N)c1C ZINC000452076716 338752845 /nfs/dbraw/zinc/75/28/45/338752845.db2.gz ZHSHRGULHXKCAC-OSAQELSMSA-N 0 3 317.433 3.511 20 30 DHEDHN C[C@H](NCC(C)(C)C1(O)CCCC1)c1ccc(C#N)cc1F ZINC000453388672 338836497 /nfs/dbraw/zinc/83/64/97/338836497.db2.gz QRGDUZUCUMMYII-ZDUSSCGKSA-N 0 3 304.409 3.679 20 30 DHEDHN N#Cc1cccc(CN[C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000453618152 338850992 /nfs/dbraw/zinc/85/09/92/338850992.db2.gz QJDLKXMQVLALPG-HXUWFJFHSA-N 0 3 320.436 3.942 20 30 DHEDHN CCO[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)[C@@H]1SC ZINC000459447305 339029754 /nfs/dbraw/zinc/02/97/54/339029754.db2.gz JGLDFTXCXCKZRZ-TWMKSMIVSA-N 0 3 304.459 3.530 20 30 DHEDHN C=C(C)C[N@@H+](C)Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459465911 339030767 /nfs/dbraw/zinc/03/07/67/339030767.db2.gz QJVFTJRCKQNTJP-UHFFFAOYSA-N 0 3 314.223 3.561 20 30 DHEDHN C=C(C)C[N@H+](C)Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459465911 339030768 /nfs/dbraw/zinc/03/07/68/339030768.db2.gz QJVFTJRCKQNTJP-UHFFFAOYSA-N 0 3 314.223 3.561 20 30 DHEDHN Cc1nc2ccccc2n1CCCCCN[C@@H]1CCC[C@@H]1C#N ZINC000459479410 339031738 /nfs/dbraw/zinc/03/17/38/339031738.db2.gz OATDJZPTMVNRCM-IAGOWNOFSA-N 0 3 310.445 3.797 20 30 DHEDHN N#CCCCCN1CCN(CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000459500099 339032722 /nfs/dbraw/zinc/03/27/22/339032722.db2.gz BOJXQNHVSCBSDV-HXUWFJFHSA-N 0 3 324.472 3.733 20 30 DHEDHN CC(C)(C#N)CCN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459532826 339034374 /nfs/dbraw/zinc/03/43/74/339034374.db2.gz DPXURBAKJSMPHL-QGZVFWFLSA-N 0 3 300.446 3.810 20 30 DHEDHN CCC1(CC)CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000459575834 339036891 /nfs/dbraw/zinc/03/68/91/339036891.db2.gz CNTXVFMPJDRLCA-UHFFFAOYSA-N 0 3 308.429 3.581 20 30 DHEDHN CC(C)(CC#N)CNCc1ccc(OCC(F)(F)F)cc1 ZINC000459692713 339043298 /nfs/dbraw/zinc/04/32/98/339043298.db2.gz MTKMOGXNQCEOQR-UHFFFAOYSA-N 0 3 300.324 3.657 20 30 DHEDHN C=CCOc1ccccc1CNC[C@H](C)Oc1ccccc1F ZINC000462739874 339086143 /nfs/dbraw/zinc/08/61/43/339086143.db2.gz XNKRYNHWUZJCJQ-HNNXBMFYSA-N 0 3 315.388 3.948 20 30 DHEDHN CCCCOc1ccc(CNCCOc2ccc(C#N)cc2)cc1 ZINC000462766142 339087560 /nfs/dbraw/zinc/08/75/60/339087560.db2.gz IPVMHNXXSPYTPF-UHFFFAOYSA-N 0 3 324.424 3.906 20 30 DHEDHN C=CC[C@@H](CO)CN[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462807446 339090414 /nfs/dbraw/zinc/09/04/14/339090414.db2.gz SEPOWXYGGBRMOC-CHWSQXEVSA-N 0 3 320.433 3.784 20 30 DHEDHN C=CCN(CCCC1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000463287169 339113486 /nfs/dbraw/zinc/11/34/86/339113486.db2.gz JANLXSYKDNNLAW-UHFFFAOYSA-N 0 3 318.417 3.790 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCCCCC2CCCC2)CC1 ZINC000465860458 339186060 /nfs/dbraw/zinc/18/60/60/339186060.db2.gz LWVOJQUANXZDMN-UHFFFAOYSA-N 0 3 321.509 3.687 20 30 DHEDHN N#Cc1cccc(CCNCc2csc(Br)c2)c1 ZINC000466423142 339204150 /nfs/dbraw/zinc/20/41/50/339204150.db2.gz BVYNJNDJBHRQDX-UHFFFAOYSA-N 0 3 321.243 3.715 20 30 DHEDHN CCOc1c(Cl)cccc1CNCCc1cccc(C#N)c1 ZINC000466424113 339204187 /nfs/dbraw/zinc/20/41/87/339204187.db2.gz FYODMJMSYFGMCO-UHFFFAOYSA-N 0 3 314.816 3.943 20 30 DHEDHN Cc1ccc(CNC(=O)C(C)C#N)c(O[C@H](C)CC(C)C)c1 ZINC000468254003 339257664 /nfs/dbraw/zinc/25/76/64/339257664.db2.gz ZGVSHYAPFHPDBS-HUUCEWRRSA-N 0 3 302.418 3.584 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)CC1 ZINC000469409207 339288087 /nfs/dbraw/zinc/28/80/87/339288087.db2.gz BOGYWFAIPCAAHF-IAGOWNOFSA-N 0 3 321.509 3.541 20 30 DHEDHN C=CCC[C@@H](O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000472767204 339377214 /nfs/dbraw/zinc/37/72/14/339377214.db2.gz HHLLLIHQPNEPFM-GFCCVEGCSA-N 0 3 300.229 3.899 20 30 DHEDHN C=C(C)COc1cccc(NC(=O)[C@H](C)NC(C)(C)CC)c1 ZINC000476108472 339469617 /nfs/dbraw/zinc/46/96/17/339469617.db2.gz UTNUYBBRQAIDFJ-AWEZNQCLSA-N 0 3 304.434 3.747 20 30 DHEDHN C=CCNC(=O)CN[C@@H](c1ccc(C)cc1)C1CCCCC1 ZINC000479295752 339530729 /nfs/dbraw/zinc/53/07/29/339530729.db2.gz LZHQWTYFWNVFAC-LJQANCHMSA-N 0 3 300.446 3.508 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNc1nccc(C(F)F)n1)C(C)C ZINC000479920347 339553416 /nfs/dbraw/zinc/55/34/16/339553416.db2.gz ATXVZURJMLKVFK-AWEZNQCLSA-N 0 3 310.392 3.525 20 30 DHEDHN CC#CCCNCc1cc(Br)cc(C(F)(F)F)c1 ZINC000482166590 339625452 /nfs/dbraw/zinc/62/54/52/339625452.db2.gz VOGGDDDVASVUPB-UHFFFAOYSA-N 0 3 320.152 3.971 20 30 DHEDHN C=CCC[C@H](C(=O)NCCN1CCC(C)CC1)c1ccccc1 ZINC000495018061 339970452 /nfs/dbraw/zinc/97/04/52/339970452.db2.gz NDHJEHVHKIFDLU-IBGZPJMESA-N 0 3 314.473 3.585 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000500236935 340053684 /nfs/dbraw/zinc/05/36/84/340053684.db2.gz INWNAOTUAVDLSM-GJZGRUSLSA-N 0 3 320.502 3.872 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2ccccc2C)C1 ZINC000501203166 340076134 /nfs/dbraw/zinc/07/61/34/340076134.db2.gz LDRQRVXODUGDRN-KRWDZBQOSA-N 0 3 306.409 3.865 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC000501204515 340076173 /nfs/dbraw/zinc/07/61/73/340076173.db2.gz LBZOPUUYKJPXBW-INIZCTEOSA-N 0 3 310.372 3.695 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2ccccc2)[C@@H]1C ZINC000501218744 340076354 /nfs/dbraw/zinc/07/63/54/340076354.db2.gz RLUJEIKMAROINZ-KXBFYZLASA-N 0 3 306.409 3.945 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccccc1)C(C)C ZINC000503409330 340127722 /nfs/dbraw/zinc/12/77/22/340127722.db2.gz JQXJRRSCFYPBOY-QGZVFWFLSA-N 0 3 301.434 3.507 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc(F)c1)C(C)C ZINC000503441396 340128278 /nfs/dbraw/zinc/12/82/78/340128278.db2.gz WZZRSLADTNMYGD-KRWDZBQOSA-N 0 3 319.424 3.646 20 30 DHEDHN CC(C)(C)c1cccc(OCCN2CCC(C)(C#N)CC2)c1 ZINC000506028529 340183815 /nfs/dbraw/zinc/18/38/15/340183815.db2.gz VGXRVWGRISAJFD-UHFFFAOYSA-N 0 3 300.446 3.989 20 30 DHEDHN C=CCN(Cc1cccc(C(=O)NC)c1)CC1CCCCC1 ZINC000506454567 340194906 /nfs/dbraw/zinc/19/49/06/340194906.db2.gz JWNGILYRUJHULH-UHFFFAOYSA-N 0 3 300.446 3.615 20 30 DHEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000508459840 340244034 /nfs/dbraw/zinc/24/40/34/340244034.db2.gz WPWIECJVHNEIFH-UKRRQHHQSA-N 0 3 304.821 3.813 20 30 DHEDHN C=CC1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000508890213 340255265 /nfs/dbraw/zinc/25/52/65/340255265.db2.gz OGPYCHCOSFLCLD-IBGZPJMESA-N 0 3 301.430 3.642 20 30 DHEDHN C=C(C)CCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000509261026 340264857 /nfs/dbraw/zinc/26/48/57/340264857.db2.gz ZWMKSLRJEMDKAM-LSDHHAIUSA-N 0 3 300.229 3.850 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccccc1)C(C)(C)C ZINC000303002832 340294664 /nfs/dbraw/zinc/29/46/64/340294664.db2.gz NEWFYRCVWJEGOJ-GOSISDBHSA-N 0 3 300.446 3.564 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000510316590 340295760 /nfs/dbraw/zinc/29/57/60/340295760.db2.gz XVGMNGXQPMEJCE-BHIYHBOVSA-N 0 3 318.505 3.750 20 30 DHEDHN CC(C#N)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000510389308 340297600 /nfs/dbraw/zinc/29/76/00/340297600.db2.gz PBKHZKHYJCAUJV-YGRLFVJLSA-N 0 3 304.802 3.767 20 30 DHEDHN C=CC[C@H](C)N[C@@H](C)c1ccccc1I ZINC000309013060 340297965 /nfs/dbraw/zinc/29/79/65/340297965.db2.gz SOHSKRLAMQTCOO-QWRGUYRKSA-N 0 3 315.198 3.906 20 30 DHEDHN COc1ccccc1C[C@@H](C)N(C)CCOc1ccccc1C#N ZINC000303931808 340354836 /nfs/dbraw/zinc/35/48/36/340354836.db2.gz QRLFLCHTSMBUQX-MRXNPFEDSA-N 0 3 324.424 3.509 20 30 DHEDHN C=CCOc1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000512556620 340366713 /nfs/dbraw/zinc/36/67/13/340366713.db2.gz DUVSBMLQWYRPMQ-ALCCZGGFSA-N 0 3 324.380 3.963 20 30 DHEDHN C=CCOc1cccc(CN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000512600156 340368471 /nfs/dbraw/zinc/36/84/71/340368471.db2.gz PYGDXRRLIZKJOR-LJQANCHMSA-N 0 3 308.425 3.938 20 30 DHEDHN C=CCOc1ccccc1CN1CC[C@@H](Nc2ccccc2)C1 ZINC000512604092 340368580 /nfs/dbraw/zinc/36/85/80/340368580.db2.gz DOMCDDNATRXLDR-LJQANCHMSA-N 0 3 308.425 3.938 20 30 DHEDHN C[C@H](N[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512614896 340369103 /nfs/dbraw/zinc/36/91/03/340369103.db2.gz XJHINNBCZZYIQJ-BKTGTZMESA-N 0 3 310.372 3.878 20 30 DHEDHN C[C@H](NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(C#N)cc1F ZINC000512637786 340370303 /nfs/dbraw/zinc/37/03/03/340370303.db2.gz ZGOXKNNQZIYDMQ-BJVKYNJZSA-N 0 3 306.384 3.934 20 30 DHEDHN C[C@H](NCCN1c2ccccc2C[C@H]1C)c1ccc(C#N)cc1F ZINC000512640778 340370470 /nfs/dbraw/zinc/37/04/70/340370470.db2.gz ANLAIADUAJOJNH-CABCVRRESA-N 0 3 323.415 3.799 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1COc2ccccc21 ZINC000512654128 340371296 /nfs/dbraw/zinc/37/12/96/340371296.db2.gz JKFHRTZHLLKLMZ-OGHNNQOOSA-N 0 3 310.372 3.913 20 30 DHEDHN CCOc1cccc(CCN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512661208 340371780 /nfs/dbraw/zinc/37/17/80/340371780.db2.gz QJJCYQLMJQXMDD-CQSZACIVSA-N 0 3 312.388 3.989 20 30 DHEDHN C[C@@H](NCCCc1nc2ccccc2[nH]1)c1ccc(C#N)cc1F ZINC000512665052 340371874 /nfs/dbraw/zinc/37/18/74/340371874.db2.gz DAAHQIBENCYPLE-CYBMUJFWSA-N 0 3 322.387 3.857 20 30 DHEDHN COC[C@H](Cc1ccccc1)N[C@H](C)c1ccc(C#N)cc1F ZINC000512672227 340372383 /nfs/dbraw/zinc/37/23/83/340372383.db2.gz JIVVKUQHEZBZOC-PBHICJAKSA-N 0 3 312.388 3.606 20 30 DHEDHN C=C(C)COCCN[C@@H]1CCc2sc(Br)cc21 ZINC000310136320 340436746 /nfs/dbraw/zinc/43/67/46/340436746.db2.gz ZLUBUEYCOLWJKS-LLVKDONJSA-N 0 3 316.264 3.680 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000185135335 340498399 /nfs/dbraw/zinc/49/83/99/340498399.db2.gz ZRZBGDIQMWQCAL-GDBMZVCRSA-N 0 3 308.491 3.850 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](C)CC1)C(C)C ZINC000521737990 340530485 /nfs/dbraw/zinc/53/04/85/340530485.db2.gz ZGESWGQPEJHKEM-ROUUACIJSA-N 0 3 321.509 3.517 20 30 DHEDHN CC(C)[C@H]1CCc2ccccc2[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000191602074 340556405 /nfs/dbraw/zinc/55/64/05/340556405.db2.gz MDVSVMVWFDFBTF-UYAOXDASSA-N 0 3 307.441 3.946 20 30 DHEDHN Cc1cc([C@@H](C)NCCOc2ccc(C#N)cc2)c(C)s1 ZINC000539086566 340872000 /nfs/dbraw/zinc/87/20/00/340872000.db2.gz BLNIHQYWVOWFEI-CYBMUJFWSA-N 0 3 300.427 3.966 20 30 DHEDHN C=CC[C@@H](CO)CNCc1ccc(-c2ccc(F)cc2C)o1 ZINC000540326508 340927164 /nfs/dbraw/zinc/92/71/64/340927164.db2.gz REYYIALRUZJWDR-CQSZACIVSA-N 0 3 303.377 3.668 20 30 DHEDHN N#CCC1CCN(Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000540995469 340955076 /nfs/dbraw/zinc/95/50/76/340955076.db2.gz SHDHYYCEVWSKEC-UHFFFAOYSA-N 0 3 314.820 3.856 20 30 DHEDHN C[C@H](NCCCNc1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000542487310 341009844 /nfs/dbraw/zinc/00/98/44/341009844.db2.gz FILCVZPETGFHBI-ZDUSSCGKSA-N 0 3 315.367 3.989 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544191242 341073872 /nfs/dbraw/zinc/07/38/72/341073872.db2.gz XITQJNAWGRENEF-GOSISDBHSA-N 0 3 306.409 3.865 20 30 DHEDHN OCC[C@H](NCC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000544896940 341098229 /nfs/dbraw/zinc/09/82/29/341098229.db2.gz LFJJQSMXZQJHHW-SFHVURJKSA-N 0 3 305.849 3.612 20 30 DHEDHN N#Cc1ccc(CNC2CC(OCc3ccccc3)C2)c(F)c1 ZINC000545210934 341114260 /nfs/dbraw/zinc/11/42/60/341114260.db2.gz RPTDHQXLGLXKRJ-UHFFFAOYSA-N 0 3 310.372 3.535 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc(OC)c(F)c2)cc1 ZINC000075734648 341181570 /nfs/dbraw/zinc/18/15/70/341181570.db2.gz KBXHFGRNEWJHHU-UHFFFAOYSA-N 0 3 301.361 3.689 20 30 DHEDHN CCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000075755629 341182020 /nfs/dbraw/zinc/18/20/20/341182020.db2.gz AEMZJOQHURFCBT-CQSZACIVSA-N 0 3 310.397 3.816 20 30 DHEDHN C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(C#N)cc1 ZINC000075755735 341182084 /nfs/dbraw/zinc/18/20/84/341182084.db2.gz YCXQQYFSTUZGSJ-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000133733475 341183640 /nfs/dbraw/zinc/18/36/40/341183640.db2.gz NQSRMOZQJJGTQY-IBGZPJMESA-N 0 3 312.457 3.536 20 30 DHEDHN C=C(C)COc1cc(CNC[C@H](OC)C(C)(C)C)ccc1OC ZINC000237089046 341207074 /nfs/dbraw/zinc/20/70/74/341207074.db2.gz TXSHNUSGJBKTOQ-SFHVURJKSA-N 0 3 321.461 3.801 20 30 DHEDHN C=C[C@@H](CC(=O)N(CCN(C)C)C1CCCC1)c1ccccc1 ZINC000134589027 341218952 /nfs/dbraw/zinc/21/89/52/341218952.db2.gz SDOFPXAKFIWWOS-KRWDZBQOSA-N 0 3 314.473 3.679 20 30 DHEDHN COc1ccc(CN2CCC[C@H](Nc3ccccc3)C2)cc1C#N ZINC000135213567 341233383 /nfs/dbraw/zinc/23/33/83/341233383.db2.gz XZZOHFKDPNKJAI-IBGZPJMESA-N 0 3 321.424 3.643 20 30 DHEDHN C[C@@H](Cc1ccsc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000548792615 341275859 /nfs/dbraw/zinc/27/58/59/341275859.db2.gz JVLLWSQPAAKEJW-HNNXBMFYSA-N 0 3 311.454 3.631 20 30 DHEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000548883340 341279788 /nfs/dbraw/zinc/27/97/88/341279788.db2.gz OMIDVNDQUBSCAF-MOPGFXCFSA-N 0 3 320.440 3.726 20 30 DHEDHN CC(C)c1ccc(CN2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000549346153 341291944 /nfs/dbraw/zinc/29/19/44/341291944.db2.gz VTJHBEKUHVJYDG-AZUAARDMSA-N 0 3 311.473 3.620 20 30 DHEDHN CCc1nc2cc(CN[C@@H]3CC[C@@H](C#N)C3)ccc2n1C1CC1 ZINC000549610287 341298935 /nfs/dbraw/zinc/29/89/35/341298935.db2.gz JYDVXFSWJNRAPV-UKRRQHHQSA-N 0 3 308.429 3.715 20 30 DHEDHN C=CC[C@H](CO)CNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551597983 341346804 /nfs/dbraw/zinc/34/68/04/341346804.db2.gz GUPVDRWSOOGMON-LBPRGKRZSA-N 0 3 322.861 3.738 20 30 DHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cnc2ccsc2c1 ZINC000090106939 341413395 /nfs/dbraw/zinc/41/33/95/341413395.db2.gz NUDCFQMVYLFGTN-CYBMUJFWSA-N 0 3 323.421 3.898 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2cccc(COCc3ccco3)c2)C1 ZINC000572804299 341704762 /nfs/dbraw/zinc/70/47/62/341704762.db2.gz GDUAWXFWSSYWDN-MAUKXSAKSA-N 0 3 310.397 3.778 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@@H](CC)CC2CCCCC2)CC1 ZINC000172173377 341794247 /nfs/dbraw/zinc/79/42/47/341794247.db2.gz WTRIBWLVXXYCII-KRWDZBQOSA-N 0 3 306.494 3.750 20 30 DHEDHN CC[C@H](CNCc1ccc(C#N)o1)Oc1ccccc1Cl ZINC000176991119 341909793 /nfs/dbraw/zinc/90/97/93/341909793.db2.gz WTEKORLBBGOUIS-GFCCVEGCSA-N 0 3 304.777 3.752 20 30 DHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccccc1-n1cccn1 ZINC000177208113 341917492 /nfs/dbraw/zinc/91/74/92/341917492.db2.gz DMUHKDGPCODNDO-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccccc1-n1cccn1 ZINC000177208095 341917548 /nfs/dbraw/zinc/91/75/48/341917548.db2.gz DMUHKDGPCODNDO-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CCCN(c3cccc(F)c3)C2)c1 ZINC000177702741 341924326 /nfs/dbraw/zinc/92/43/26/341924326.db2.gz VTIMTHBBVBRJCS-OAHLLOKOSA-N 0 3 315.417 3.517 20 30 DHEDHN C=C(C)COc1cc(CN2CCC(CF)CC2)ccc1OC ZINC000449451943 517315883 /nfs/dbraw/zinc/31/58/83/517315883.db2.gz FAHDYCVEGCSGCM-UHFFFAOYSA-N 0 3 307.409 3.832 20 30 DHEDHN CC(C)n1cnnc1[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189963551 520066218 /nfs/dbraw/zinc/06/62/18/520066218.db2.gz LGHLIBXMHWQZBU-YJBOKZPZSA-N 0 3 323.444 3.671 20 30 DHEDHN CC[C@H](NCc1ccccc1-n1cccn1)c1ccc(C#N)cc1 ZINC000365193440 522656115 /nfs/dbraw/zinc/65/61/15/522656115.db2.gz AKSRECGSZMKNRQ-IBGZPJMESA-N 0 3 316.408 3.985 20 30 DHEDHN CC[C@](C)(NCCCOc1cccc(C#N)c1)c1nccs1 ZINC000128544896 523488143 /nfs/dbraw/zinc/48/81/43/523488143.db2.gz CCJGSXRRUOHOPW-KRWDZBQOSA-N 0 3 315.442 3.699 20 30 DHEDHN Cc1ccccc1NC(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000266438279 525232204 /nfs/dbraw/zinc/23/22/04/525232204.db2.gz MESFIAXMBSUUBF-HNNXBMFYSA-N 0 3 307.397 3.546 20 30 DHEDHN COc1ccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)cc1C ZINC000364830559 525248944 /nfs/dbraw/zinc/24/89/44/525248944.db2.gz NMXQDCSFBAFQEW-SFHVURJKSA-N 0 3 309.413 3.551 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)s1 ZINC000180507072 526611862 /nfs/dbraw/zinc/61/18/62/526611862.db2.gz WHXWZHNANGROGG-DOMZBBRYSA-N 0 3 318.467 3.769 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000161997281 526626132 /nfs/dbraw/zinc/62/61/32/526626132.db2.gz GIJXWXDFVCFARW-OLZOCXBDSA-N 0 3 300.299 3.908 20 30 DHEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000182111455 526710023 /nfs/dbraw/zinc/71/00/23/526710023.db2.gz IRLGZKPJVDRLAV-MSOLQXFVSA-N 0 3 312.800 3.831 20 30 DHEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c(C#N)c1C ZINC000249295041 526777825 /nfs/dbraw/zinc/77/78/25/526777825.db2.gz AZOLFLCSRCXNME-RLSLPTNOSA-N 0 3 317.433 3.509 20 30 DHEDHN CC(C)(CO)[C@@H](NCc1ccc(F)c(C#N)c1)c1cccs1 ZINC000289439884 535171876 /nfs/dbraw/zinc/17/18/76/535171876.db2.gz WKPFVJPYVXTWAH-INIZCTEOSA-N 0 3 318.417 3.608 20 30 DHEDHN C=CCCC[C@@H](C)[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823894297 946504235 /nfs/dbraw/zinc/50/42/35/946504235.db2.gz MRKWZWGRVWAOSK-DYVFJYSZSA-N 0 3 311.433 3.579 20 30 DHEDHN C=CCCC[C@@H](C)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823894297 946504239 /nfs/dbraw/zinc/50/42/39/946504239.db2.gz MRKWZWGRVWAOSK-DYVFJYSZSA-N 0 3 311.433 3.579 20 30 DHEDHN C#C[C@@H](NCc1sccc1NC(=O)OC(C)(C)C)C(C)C ZINC000894387789 1013244708 /nfs/dbraw/zinc/24/47/08/1013244708.db2.gz VWDGSJBBRPVVEN-GFCCVEGCSA-N 0 3 308.447 3.843 20 30 DHEDHN COc1cccc(C[C@H]2CCCN2Cc2cc(C#N)ccc2F)c1 ZINC000518993565 1013258813 /nfs/dbraw/zinc/25/88/13/1013258813.db2.gz LANYKJIWDKKHSM-GOSISDBHSA-N 0 3 324.399 3.913 20 30 DHEDHN C=CCC[C@@H](C(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000275316515 1013329567 /nfs/dbraw/zinc/32/95/67/1013329567.db2.gz KLVCHWNNYZBLMX-VQIMIIECSA-N 0 3 312.457 3.503 20 30 DHEDHN COCc1c(C)cc(C)c(CN2CCC(C)(C#N)CC2)c1C ZINC000894430784 1013358675 /nfs/dbraw/zinc/35/86/75/1013358675.db2.gz DXAWRQHCDTWFGH-UHFFFAOYSA-N 0 3 300.446 3.884 20 30 DHEDHN CO[C@@H]1CCC[C@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000796656510 1013460576 /nfs/dbraw/zinc/46/05/76/1013460576.db2.gz WZTLZPUJAAYZQN-MJBXVCDLSA-N 0 3 312.369 3.599 20 30 DHEDHN C#CCN(CCC(C)(C)CC(=O)OCC)Cc1ccc(F)cc1 ZINC001167273479 1013488800 /nfs/dbraw/zinc/48/88/00/1013488800.db2.gz IBYICKZSJRCJHL-UHFFFAOYSA-N 0 3 319.420 3.630 20 30 DHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000151373790 1013544977 /nfs/dbraw/zinc/54/49/77/1013544977.db2.gz SMOQUYCVUYLTDW-ZDUSSCGKSA-N 0 3 319.408 3.639 20 30 DHEDHN Cc1cccc2c1CCN(CCCOc1ccc(C#N)cc1)C2 ZINC000729476950 1013552808 /nfs/dbraw/zinc/55/28/08/1013552808.db2.gz GJSCMURHKXDTKM-UHFFFAOYSA-N 0 3 306.409 3.694 20 30 DHEDHN C=CCN1CCC(NC(=O)NC[C@H](CCC)CCCC)CC1 ZINC000441078488 1013660185 /nfs/dbraw/zinc/66/01/85/1013660185.db2.gz IOBVJVSQTLCPOA-MRXNPFEDSA-N 0 3 309.498 3.543 20 30 DHEDHN CC1(C)CN(CC(=O)NC2(C#N)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000328860028 1013802208 /nfs/dbraw/zinc/80/22/08/1013802208.db2.gz LHPGGNZNOWWCCI-LSDHHAIUSA-N 0 3 303.450 3.680 20 30 DHEDHN C=C(Cl)CN[C@H](C)Cc1ccc(F)cc1Br ZINC000309566620 1021574445 /nfs/dbraw/zinc/57/44/45/1021574445.db2.gz MIZMZNKRCGXYEI-SECBINFHSA-N 0 3 306.606 3.861 20 30 DHEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001125467992 1014308000 /nfs/dbraw/zinc/30/80/00/1014308000.db2.gz UZFVIBAMXOANCR-JFIYKMOQSA-N 0 3 300.446 3.540 20 30 DHEDHN COc1cccc(N2CCN(CCCCC(C)(C)C#N)CC2)c1 ZINC000391551223 1014338462 /nfs/dbraw/zinc/33/84/62/1014338462.db2.gz SYPBJLMLPYYZQN-UHFFFAOYSA-N 0 3 315.461 3.537 20 30 DHEDHN N#Cc1ccc(-c2nnc(CN(CC3CC3)CC3CCC3)o2)cc1 ZINC000280840849 1014438787 /nfs/dbraw/zinc/43/87/87/1014438787.db2.gz XAZRNVWTKOPDTG-UHFFFAOYSA-N 0 3 322.412 3.620 20 30 DHEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OCC(F)(F)F)c1 ZINC000442795390 1014737089 /nfs/dbraw/zinc/73/70/89/1014737089.db2.gz UDJJAWRZNRKJIT-TZMCWYRMSA-N 0 3 312.335 3.718 20 30 DHEDHN CCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OC(F)F)c1 ZINC000442799514 1014737343 /nfs/dbraw/zinc/73/73/43/1014737343.db2.gz YRXOUDRNRVQLEY-GXTWGEPZSA-N 0 3 324.371 3.859 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443643729 1015063534 /nfs/dbraw/zinc/06/35/34/1015063534.db2.gz WFYIQDVKOVYZCU-HUUCEWRRSA-N 0 3 309.837 3.510 20 30 DHEDHN C=CCS(=O)(=O)CCN[C@H](c1ccc(CCC)cc1)C(C)C ZINC000783531811 1015435964 /nfs/dbraw/zinc/43/59/64/1015435964.db2.gz MGTRSBSWSQSBNV-SFHVURJKSA-N 0 3 323.502 3.527 20 30 DHEDHN C=CCN(CCCc1cc(CC)no1)Cc1cccc(C#N)c1 ZINC000581910720 1015524307 /nfs/dbraw/zinc/52/43/07/1015524307.db2.gz NHCZGMMNXQDMBO-UHFFFAOYSA-N 0 3 309.413 3.729 20 30 DHEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276791518 1015655116 /nfs/dbraw/zinc/65/51/16/1015655116.db2.gz SVVUCYDITVLCFV-MJBXVCDLSA-N 0 3 315.417 3.997 20 30 DHEDHN Cn1cc(CN2CCC(c3ccc(F)c(F)c3)CC2)cc1C#N ZINC000276807786 1015668490 /nfs/dbraw/zinc/66/84/90/1015668490.db2.gz XDNUUGGVVOWLPC-UHFFFAOYSA-N 0 3 315.367 3.555 20 30 DHEDHN C=C1CCC(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000896838499 1015765846 /nfs/dbraw/zinc/76/58/46/1015765846.db2.gz KGYYZPILSHOEGI-UHFFFAOYSA-N 0 3 301.346 3.572 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N(C(C)C)C(C)C)c1ccccc1 ZINC000341932603 1015852399 /nfs/dbraw/zinc/85/23/99/1015852399.db2.gz RGPYAQLLEIPRRS-GOSISDBHSA-N 0 3 302.462 3.929 20 30 DHEDHN CC(C)CO[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000610946948 1015958279 /nfs/dbraw/zinc/95/82/79/1015958279.db2.gz MUNRJXZAHFVIBG-IRXDYDNUSA-N 0 3 304.409 3.627 20 30 DHEDHN N#Cc1cc(CN2CCC[C@@]3(CCCc4ccccc43)C2)ccn1 ZINC000610994810 1016005225 /nfs/dbraw/zinc/00/52/25/1016005225.db2.gz RRSANVZSTXZQAT-NRFANRHFSA-N 0 3 317.436 3.823 20 30 DHEDHN CCCN(Cc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 ZINC000071810614 1016142457 /nfs/dbraw/zinc/14/24/57/1016142457.db2.gz HQGFJUJROSUFDI-GOSISDBHSA-N 0 3 322.408 3.610 20 30 DHEDHN C[C@H](CN(C)CCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000346474764 1016405182 /nfs/dbraw/zinc/40/51/82/1016405182.db2.gz DDTQMEYHVWABDA-LLVKDONJSA-N 0 3 301.217 3.996 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)N(CC=C)Cc1cccs1 ZINC000346974455 1016667952 /nfs/dbraw/zinc/66/79/52/1016667952.db2.gz YKYMITNMIKZJCS-HNNXBMFYSA-N 0 3 306.475 3.549 20 30 DHEDHN N#Cc1cccc(OCCCN2CCC[C@H]2c2cccnc2)c1 ZINC000346995523 1016679679 /nfs/dbraw/zinc/67/96/79/1016679679.db2.gz XQQSOXWQRUBQMD-IBGZPJMESA-N 0 3 307.397 3.559 20 30 DHEDHN C=CCCn1cc(CN[C@@H](C)Cc2ccc(C(C)C)cc2)nn1 ZINC000657422845 1016721714 /nfs/dbraw/zinc/72/17/14/1016721714.db2.gz BEZZAIARLBWDLD-INIZCTEOSA-N 0 3 312.461 3.698 20 30 DHEDHN CCC#C[C@@H](C)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000671249255 1016739859 /nfs/dbraw/zinc/73/98/59/1016739859.db2.gz ZUFHUTFXLZGJOX-ABAIWWIYSA-N 0 3 307.235 3.687 20 30 DHEDHN CCC#C[C@H](C)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000671249267 1016740126 /nfs/dbraw/zinc/74/01/26/1016740126.db2.gz ZUFHUTFXLZGJOX-XHDPSFHLSA-N 0 3 307.235 3.687 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc(OC)cc1 ZINC000281791984 1016734395 /nfs/dbraw/zinc/73/43/95/1016734395.db2.gz UPMAVFIXDLQLAE-GOSISDBHSA-N 0 3 310.397 3.816 20 30 DHEDHN CC(C)(CCC#N)CNCc1c(F)cccc1OC(F)F ZINC000072927015 1016995263 /nfs/dbraw/zinc/99/52/63/1016995263.db2.gz ABOLZQCVWPZDFM-UHFFFAOYSA-N 0 3 300.324 3.847 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc2c(c1)ncn2C ZINC000342687139 1017012475 /nfs/dbraw/zinc/01/24/75/1017012475.db2.gz ZTFCCAXYWPIUPB-UHFFFAOYSA-N 0 3 321.424 3.770 20 30 DHEDHN COc1cc(C)c(CN(C)Cc2ccc(CC#N)cc2)cc1OC ZINC000342689926 1017015238 /nfs/dbraw/zinc/01/52/38/1017015238.db2.gz GAJAKVUUZSYAAZ-UHFFFAOYSA-N 0 3 324.424 3.710 20 30 DHEDHN N#CCc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000342700659 1017037346 /nfs/dbraw/zinc/03/73/46/1017037346.db2.gz ISPAIXJSVIHZDJ-UHFFFAOYSA-N 0 3 301.393 3.789 20 30 DHEDHN C[C@@H](NCc1cccc(-c2nccn2C)c1)c1ccc(C#N)s1 ZINC000362043070 1032206465 /nfs/dbraw/zinc/20/64/65/1032206465.db2.gz VTPDOFHXGJOQCK-CYBMUJFWSA-N 0 3 322.437 3.871 20 30 DHEDHN C=CCOc1ccc(CN2CCC(OCC(C)C)CC2)cc1 ZINC000092222975 1032482806 /nfs/dbraw/zinc/48/28/06/1032482806.db2.gz UMUMSJOTZRWJPK-UHFFFAOYSA-N 0 3 303.446 3.888 20 30 DHEDHN C=CCOCCCN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000348169231 1032487142 /nfs/dbraw/zinc/48/71/42/1032487142.db2.gz HVKXEAREMKBNRF-LBPRGKRZSA-N 0 3 309.360 3.675 20 30 DHEDHN C#CCSCCN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000773010005 1032525097 /nfs/dbraw/zinc/52/50/97/1032525097.db2.gz FNKNQONTRMKUMZ-JTQLQIEISA-N 0 3 319.804 3.958 20 30 DHEDHN C=CCOc1ccccc1[C@H](C)Nc1ccc(CN(C)C)cn1 ZINC001171373015 1032531418 /nfs/dbraw/zinc/53/14/18/1032531418.db2.gz OUZCVHVSXKBWHS-HNNXBMFYSA-N 0 3 311.429 3.881 20 30 DHEDHN C=CCn1cc(CN[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)nn1 ZINC000424173886 1011926713 /nfs/dbraw/zinc/92/67/13/1011926713.db2.gz QHTZUZOZQMKAQC-RYQLBKOJSA-N 0 3 310.445 3.526 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000424190943 1011935819 /nfs/dbraw/zinc/93/58/19/1011935819.db2.gz GUZXNYIGEUZTRB-CMPLNLGQSA-N 0 3 316.298 3.549 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2OCC2CC2)C1 ZINC000424194738 1011939207 /nfs/dbraw/zinc/93/92/07/1011939207.db2.gz LTMSLXPWTSFPPD-XJKSGUPXSA-N 0 3 304.821 3.911 20 30 DHEDHN CN(CC(=O)Nc1cccc(Cl)c1)CC1CCC(C#N)CC1 ZINC000929196938 1032604015 /nfs/dbraw/zinc/60/40/15/1032604015.db2.gz AOKPYDBHHHHJLR-UHFFFAOYSA-N 0 3 319.836 3.540 20 30 DHEDHN N#Cc1cccc(S[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000425282119 1012404611 /nfs/dbraw/zinc/40/46/11/1012404611.db2.gz NFNKOJREXSLUDW-QGZVFWFLSA-N 0 3 309.438 3.710 20 30 DHEDHN C=CCC[C@@H](O)CN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710563 1012506488 /nfs/dbraw/zinc/50/64/88/1012506488.db2.gz UZNRJBCDRGKGGE-DGCLKSJQSA-N 0 3 307.825 3.536 20 30 DHEDHN CC1(C)OCc2cc(CN3CCC(CCC#N)CC3)ccc2O1 ZINC000515352170 1012603416 /nfs/dbraw/zinc/60/34/16/1012603416.db2.gz GJRHHQRZBXTPFY-UHFFFAOYSA-N 0 3 314.429 3.847 20 30 DHEDHN COc1ccc(C(=O)CCN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425530357 1012729779 /nfs/dbraw/zinc/72/97/79/1012729779.db2.gz DYQMHUHYDUXIKI-HNNXBMFYSA-N 0 3 322.408 3.833 20 30 DHEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000516998460 1012884981 /nfs/dbraw/zinc/88/49/81/1012884981.db2.gz TZZPWTRBDLMQBL-MNVSYLFESA-N 0 3 322.408 3.610 20 30 DHEDHN CC[C@@H]1CN(Cc2ccc(C#N)cn2)CC[C@H]1c1ccccc1 ZINC000517478596 1012994522 /nfs/dbraw/zinc/99/45/22/1012994522.db2.gz NHEHHJAAZXYDLE-YLJYHZDGSA-N 0 3 305.425 3.969 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000349429609 1017202580 /nfs/dbraw/zinc/20/25/80/1017202580.db2.gz RFCPXWYZWMMPBW-QKCSRTOESA-N 0 3 321.218 3.555 20 30 DHEDHN C=CCC[C@H](NCC(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000180038451 1017355557 /nfs/dbraw/zinc/35/55/57/1017355557.db2.gz WIHZPCUVJPDFRO-IBGZPJMESA-N 0 3 324.424 3.931 20 30 DHEDHN C=CCC[C@H](NCC(=O)Nc1nc(C)cs1)c1ccccc1 ZINC000180046830 1017359330 /nfs/dbraw/zinc/35/93/30/1017359330.db2.gz ARIAPLPHXDETNS-HNNXBMFYSA-N 0 3 315.442 3.687 20 30 DHEDHN C=CCCc1noc([C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000351132217 1017421627 /nfs/dbraw/zinc/42/16/27/1017421627.db2.gz VPRAPSGSTFFCAM-GHMZBOCLSA-N 0 3 317.355 3.564 20 30 DHEDHN C=CCCCCCN(C)CC(=O)NCc1cccc(Cl)c1 ZINC000523551853 1017729460 /nfs/dbraw/zinc/72/94/60/1017729460.db2.gz GMYUXUWLTXHCSU-UHFFFAOYSA-N 0 3 308.853 3.634 20 30 DHEDHN CCOc1c(Cl)cc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000349821769 1018002751 /nfs/dbraw/zinc/00/27/51/1018002751.db2.gz MTZIAHJSSYSEIW-WCQYABFASA-N 0 3 308.809 3.529 20 30 DHEDHN C=CCOc1cccc(CN2CC[C@H](Oc3ccc(C)cn3)C2)c1 ZINC000858010989 1032741456 /nfs/dbraw/zinc/74/14/56/1032741456.db2.gz IQLJARYIBUMDPK-IBGZPJMESA-N 0 3 324.424 3.608 20 30 DHEDHN CC[C@H]1CN(C)c2ccccc2CN1Cc1cccc(C#N)c1 ZINC001167654269 1018078365 /nfs/dbraw/zinc/07/83/65/1018078365.db2.gz YTRWCTGRERGSCP-IBGZPJMESA-N 0 3 305.425 3.789 20 30 DHEDHN N#CC(C(=O)c1ccc(F)cc1)c1nc(-c2ccncc2)cs1 ZINC000114620645 1018106097 /nfs/dbraw/zinc/10/60/97/1018106097.db2.gz OLMNUDIAOZALLZ-CQSZACIVSA-N 0 3 323.352 3.834 20 30 DHEDHN CCc1ccc([C@@H](CO)N[C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000447574657 1018422939 /nfs/dbraw/zinc/42/29/39/1018422939.db2.gz OCVJFKWCRZRGSU-VQTJNVASSA-N 0 3 308.425 3.895 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(OC(F)F)c(F)c1 ZINC000926488363 1018428185 /nfs/dbraw/zinc/42/81/85/1018428185.db2.gz AQIULRXWOGZDBU-SNVBAGLBSA-N 0 3 300.324 3.845 20 30 DHEDHN C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1cccc(C#N)c1 ZINC000174430944 1018429338 /nfs/dbraw/zinc/42/93/38/1018429338.db2.gz BHGBWDFWLBVPKV-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCc2ccccc2C)cc1 ZINC000658333070 1018488292 /nfs/dbraw/zinc/48/82/92/1018488292.db2.gz LSAPIWAGMUMUNP-VQIMIIECSA-N 0 3 311.425 3.772 20 30 DHEDHN CC[C@@H](c1ccccc1)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000109479176 1018773695 /nfs/dbraw/zinc/77/36/95/1018773695.db2.gz AAQIUHJIUFYMAR-IBGZPJMESA-N 0 3 323.415 3.971 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](CCCO)c1ccccc1 ZINC000921770066 1018801710 /nfs/dbraw/zinc/80/17/10/1018801710.db2.gz BLXKITRCISNHLW-FQEVSTJZSA-N 0 3 308.425 3.779 20 30 DHEDHN C=C[C@@H](COC)N[C@H]1CCCc2cc(Br)ccc21 ZINC001116889718 1018897397 /nfs/dbraw/zinc/89/73/97/1018897397.db2.gz GIDAISKGBYWJAW-ZFWWWQNUSA-N 0 3 310.235 3.617 20 30 DHEDHN C[C@@H](CSc1ccc(Cl)cc1)NCc1cncc(C#N)c1 ZINC001172876859 1033448741 /nfs/dbraw/zinc/44/87/41/1033448741.db2.gz DCPWXIHLROIRAD-LBPRGKRZSA-N 0 3 317.845 3.877 20 30 DHEDHN N#Cc1ccccc1CN1CC[C@H](COCc2ccccc2)C1 ZINC000075864809 1019062835 /nfs/dbraw/zinc/06/28/35/1019062835.db2.gz QRWIQBNQWMLCKN-SFHVURJKSA-N 0 3 306.409 3.597 20 30 DHEDHN N#CC1(c2ccccc2)CCN(Cc2cccc3n[nH]cc32)CC1 ZINC001143087053 1019178497 /nfs/dbraw/zinc/17/84/97/1019178497.db2.gz DZQRMBBXAIKBJV-UHFFFAOYSA-N 0 3 316.408 3.620 20 30 DHEDHN C=CC[C@@H]1N(Cc2nc(N)c3ccccc3n2)CCCC1(C)C ZINC000444780937 1019269002 /nfs/dbraw/zinc/26/90/02/1019269002.db2.gz NTINFVRDHYFHDU-INIZCTEOSA-N 0 3 310.445 3.779 20 30 DHEDHN CCCOc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000611392765 1019469393 /nfs/dbraw/zinc/46/93/93/1019469393.db2.gz KJNMNLFUKYLTDA-IBGZPJMESA-N 0 3 321.424 3.909 20 30 DHEDHN COc1cccc([C@@H]2CCCN2Cc2ccc(OCC#N)cc2)c1 ZINC000264155559 1032863953 /nfs/dbraw/zinc/86/39/53/1032863953.db2.gz RCQBCBQFYZJISI-FQEVSTJZSA-N 0 3 322.408 3.935 20 30 DHEDHN CCCSCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421493 1019985098 /nfs/dbraw/zinc/98/50/98/1019985098.db2.gz LCFSTUHQRDNLEQ-JTQLQIEISA-N 0 3 308.403 3.755 20 30 DHEDHN C=CCc1cc(CNCc2ccc(C)c(C#N)c2)cc(OC)c1O ZINC000922759054 1020252891 /nfs/dbraw/zinc/25/28/91/1020252891.db2.gz KIWYAEVLTOSDRS-UHFFFAOYSA-N 0 3 322.408 3.599 20 30 DHEDHN C=CCN1CCC(NC(=O)/C(C)=C/c2ccc(Cl)cc2)CC1 ZINC000179344412 1020261621 /nfs/dbraw/zinc/26/16/21/1020261621.db2.gz ZDRGWDHVQUYXTA-BUHFOSPRSA-N 0 3 318.848 3.510 20 30 DHEDHN Cc1oc(NC(=O)CN(C)[C@@H](C)C2CCCCC2)c(C#N)c1C ZINC000331331470 1020263419 /nfs/dbraw/zinc/26/34/19/1020263419.db2.gz HYGUGHBWKUBJFI-ZDUSSCGKSA-N 0 3 317.433 3.607 20 30 DHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCCCCC2)cc1 ZINC000073598630 1020303165 /nfs/dbraw/zinc/30/31/65/1020303165.db2.gz PZJIZXILDCAIPS-QGZVFWFLSA-N 0 3 313.445 3.506 20 30 DHEDHN N#Cc1cccc(CN2CCC(COc3ccccc3)CC2)c1 ZINC000055081734 1020426715 /nfs/dbraw/zinc/42/67/15/1020426715.db2.gz GTQNLEIINQBFOQ-UHFFFAOYSA-N 0 3 306.409 3.849 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2cscc2C(F)F)nc(C)n1 ZINC000892475547 1020426735 /nfs/dbraw/zinc/42/67/35/1020426735.db2.gz KDYCQIZCJRUUHM-VIFPVBQESA-N 0 3 307.325 3.583 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]3COCC[C@H]32)c(C(F)(F)F)c1 ZINC000356108362 1020433687 /nfs/dbraw/zinc/43/36/87/1020433687.db2.gz IOGZLHHESOYJMV-GDBMZVCRSA-N 0 3 324.346 3.578 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccccc2N(C)C)c1 ZINC000733801105 1020446200 /nfs/dbraw/zinc/44/62/00/1020446200.db2.gz SDNJDISSQCOUMD-SFHVURJKSA-N 0 3 323.440 3.723 20 30 DHEDHN N#Cc1cccc(CNCc2ccnc(N3CCCCCC3)c2)c1 ZINC000107322725 1020463210 /nfs/dbraw/zinc/46/32/10/1020463210.db2.gz LFPJHBZKDHKCEI-UHFFFAOYSA-N 0 3 320.440 3.623 20 30 DHEDHN C=CC[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccncc1 ZINC000766020900 1020468819 /nfs/dbraw/zinc/46/88/19/1020468819.db2.gz QQVFXFFMKHGKKT-RDTXWAMCSA-N 0 3 321.424 3.934 20 30 DHEDHN Cc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000073977180 1020518358 /nfs/dbraw/zinc/51/83/58/1020518358.db2.gz HZXQDPKEVUCQCU-OAHLLOKOSA-N 0 3 304.349 3.945 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2ccccc2OC)C1 ZINC000132546317 1020552089 /nfs/dbraw/zinc/55/20/89/1020552089.db2.gz VEEAVURDAHIEJI-MRXNPFEDSA-N 0 3 322.408 3.565 20 30 DHEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000892498188 1020570307 /nfs/dbraw/zinc/57/03/07/1020570307.db2.gz FNWRVVKJJYYHOW-NSHDSACASA-N 0 3 322.767 3.729 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000337213876 1032921046 /nfs/dbraw/zinc/92/10/46/1032921046.db2.gz DOKGTOFHHFSFBH-HUUCEWRRSA-N 0 3 318.486 3.648 20 30 DHEDHN COCCN(Cc1cc(Cl)ccc1OCC#N)C1CCCC1 ZINC000735308354 1020721102 /nfs/dbraw/zinc/72/11/02/1020721102.db2.gz ILBBLHPSSMUZKQ-UHFFFAOYSA-N 0 3 322.836 3.633 20 30 DHEDHN COc1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1C#N ZINC000742369899 1021106368 /nfs/dbraw/zinc/10/63/68/1021106368.db2.gz ZXSGSPLXNLQPBO-UHFFFAOYSA-N 0 3 310.372 3.875 20 30 DHEDHN C#CCCCNCc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000742385134 1021109904 /nfs/dbraw/zinc/10/99/04/1021109904.db2.gz RIHAOKXEKNBZLS-UHFFFAOYSA-N 0 3 322.239 3.991 20 30 DHEDHN COc1cc([C@H](C)NCc2ccc(OCC#N)cc2)ccc1F ZINC000180550326 1021130091 /nfs/dbraw/zinc/13/00/91/1021130091.db2.gz WWKHYPVYKPYAER-ZDUSSCGKSA-N 0 3 314.360 3.587 20 30 DHEDHN N#CCOc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000180548278 1021130389 /nfs/dbraw/zinc/13/03/89/1021130389.db2.gz CDTNCNSPLDONTK-GOSISDBHSA-N 0 3 308.381 3.592 20 30 DHEDHN CCCOc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1C ZINC001202299724 1021207532 /nfs/dbraw/zinc/20/75/32/1021207532.db2.gz QPHKRJWJYDSZCP-UHFFFAOYSA-N 0 3 324.424 3.954 20 30 DHEDHN CC[C@]1(C)CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743388119 1021277554 /nfs/dbraw/zinc/27/75/54/1021277554.db2.gz NLERBTAXVGNWPI-LJQANCHMSA-N 0 3 308.429 3.891 20 30 DHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(Br)cc1 ZINC000189590569 1021377395 /nfs/dbraw/zinc/37/73/95/1021377395.db2.gz JUQRDVSFTGFOTE-NSHDSACASA-N 0 3 318.218 3.510 20 30 DHEDHN CC[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C#N)cc1 ZINC000618568508 1021426034 /nfs/dbraw/zinc/42/60/34/1021426034.db2.gz YJJZINTWDKHUGD-BLLLJJGKSA-N 0 3 320.396 3.942 20 30 DHEDHN C=CCN(CCc1ccccc1)C[C@H](O)c1c(F)cccc1F ZINC000744211595 1021467982 /nfs/dbraw/zinc/46/79/82/1021467982.db2.gz VVPKUVOBYOMZCW-SFHVURJKSA-N 0 3 317.379 3.729 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000850315474 1021472328 /nfs/dbraw/zinc/47/23/28/1021472328.db2.gz DAAOXHGSPYOWKU-UHFFFAOYSA-N 0 3 316.404 3.544 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)c2nccs2)c([O-])c1 ZINC000182168698 1021514264 /nfs/dbraw/zinc/51/42/64/1021514264.db2.gz FZEJYXBVIXDUJT-HTMJNSLASA-N 0 3 317.458 3.918 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](C)c2nccs2)c([O-])c1 ZINC000182168682 1021514684 /nfs/dbraw/zinc/51/46/84/1021514684.db2.gz FZEJYXBVIXDUJT-RNEAKCBISA-N 0 3 317.458 3.918 20 30 DHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)COC2 ZINC000618805358 1021531882 /nfs/dbraw/zinc/53/18/82/1021531882.db2.gz NTJJRCJNUZGQQX-RNODOKPDSA-N 0 3 304.393 3.927 20 30 DHEDHN N#Cc1ccc(CCN2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000659819648 1021548597 /nfs/dbraw/zinc/54/85/97/1021548597.db2.gz KKYIJHHNJWJMTN-UHFFFAOYSA-N 0 3 318.420 3.696 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850530082 1021582226 /nfs/dbraw/zinc/58/22/26/1021582226.db2.gz WXYLYUNJENPRGN-VHKYSDTDSA-N 0 3 307.393 3.528 20 30 DHEDHN C[C@@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(OCC#N)cc1 ZINC000850543254 1021596565 /nfs/dbraw/zinc/59/65/65/1021596565.db2.gz GVFYTKBPIZTWNW-YJYMSZOUSA-N 0 3 308.381 3.633 20 30 DHEDHN COc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1C ZINC000850577525 1021617963 /nfs/dbraw/zinc/61/79/63/1021617963.db2.gz FEXSEAFGYYJZFW-HNNXBMFYSA-N 0 3 310.397 3.757 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000850738352 1021631070 /nfs/dbraw/zinc/63/10/70/1021631070.db2.gz KCNHFUAYDAXWQH-JTOWHCCKSA-N 0 3 321.424 3.966 20 30 DHEDHN COCCCC[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000619292056 1021709317 /nfs/dbraw/zinc/70/93/17/1021709317.db2.gz XVYBPIYZSFUVGM-LJQANCHMSA-N 0 3 309.413 3.601 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c(Cl)c1 ZINC000615229119 1021715173 /nfs/dbraw/zinc/71/51/73/1021715173.db2.gz LMGRWOSFPOXZRC-HZPDHXFCSA-N 0 3 318.848 3.850 20 30 DHEDHN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000776515107 1021722706 /nfs/dbraw/zinc/72/27/06/1021722706.db2.gz HENOSEBIZFXDMT-FRFSOERESA-N 0 3 320.392 3.923 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccccc1F ZINC000122589418 1021751359 /nfs/dbraw/zinc/75/13/59/1021751359.db2.gz FXYXDCKSGCIMCS-LJQANCHMSA-N 0 3 315.388 3.556 20 30 DHEDHN COc1cc2c(cc1OC)[C@H](N[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000619465761 1021765003 /nfs/dbraw/zinc/76/50/03/1021765003.db2.gz YNGBAPISALOCCO-SCLBCKFNSA-N 0 3 322.408 3.914 20 30 DHEDHN CCCCCCC[C@H](C)CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000745704552 1021767671 /nfs/dbraw/zinc/76/76/71/1021767671.db2.gz KOCKNDRDIVNOKY-ROUUACIJSA-N 0 3 321.509 3.639 20 30 DHEDHN C[C@@H]1c2c(F)cccc2CCN1CCCC1(C#N)CCOCC1 ZINC000619620396 1021813335 /nfs/dbraw/zinc/81/33/35/1021813335.db2.gz DIIURSWLBRGIQW-OAHLLOKOSA-N 0 3 316.420 3.845 20 30 DHEDHN Cc1nsc(NC[C@H](c2ccccc2)N2CCCC2)c1C#N ZINC000341390652 1022119254 /nfs/dbraw/zinc/11/92/54/1022119254.db2.gz VBIKRVBINSVUHV-MRXNPFEDSA-N 0 3 312.442 3.572 20 30 DHEDHN CN(C)[C@@H](CNCc1csc(C#N)c1)c1ccccc1Cl ZINC000921481408 1022266949 /nfs/dbraw/zinc/26/69/49/1022266949.db2.gz JDGXFVQYIMTZJR-INIZCTEOSA-N 0 3 319.861 3.666 20 30 DHEDHN CCCC[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])C1CCC1 ZINC001169113950 1022270838 /nfs/dbraw/zinc/27/08/38/1022270838.db2.gz VTJGCFZPXRCBKX-MRXNPFEDSA-N 0 3 301.390 3.915 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@](C)(Cc2ccccc2)CC1=O ZINC000853597665 1022295508 /nfs/dbraw/zinc/29/55/08/1022295508.db2.gz DIWKRKISMZBIGV-ZVDOUQERSA-N 0 3 324.468 3.608 20 30 DHEDHN Cc1ccc(CCCNc2ccc(/N=C/N(C)C)c(C#N)c2)cn1 ZINC001169256989 1022328040 /nfs/dbraw/zinc/32/80/40/1022328040.db2.gz GXCZDGYAPXIPGN-OEAKJJBVSA-N 0 3 321.428 3.528 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccc(F)cc3)C2)c(F)c1 ZINC000609916321 1022381186 /nfs/dbraw/zinc/38/11/86/1022381186.db2.gz IRQFBEXBAJRYRL-MRXNPFEDSA-N 0 3 312.363 3.901 20 30 DHEDHN C#CCCCN[C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000766723790 1022424982 /nfs/dbraw/zinc/42/49/82/1022424982.db2.gz FJGDSZQATKIRCG-FQEVSTJZSA-N 0 3 309.409 3.796 20 30 DHEDHN C=CCCCCN1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC001169593630 1022460782 /nfs/dbraw/zinc/46/07/82/1022460782.db2.gz PFUVIOOHNYFIRT-UHFFFAOYSA-N 0 3 313.367 3.579 20 30 DHEDHN CCO[C@H]1C[C@@H](NCc2cccc(C#N)c2F)C1(CC)CC ZINC001169582834 1022467710 /nfs/dbraw/zinc/46/77/10/1022467710.db2.gz UTFUVYOREAVONQ-CVEARBPZSA-N 0 3 304.409 3.771 20 30 DHEDHN Cc1nccc([C@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000615438244 1022476078 /nfs/dbraw/zinc/47/60/78/1022476078.db2.gz SGNSOITVESMUFP-KSSFIOAISA-N 0 3 306.413 3.597 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2CC(C)(C)OC(C)(C)C2)cc1 ZINC000615459327 1022486010 /nfs/dbraw/zinc/48/60/10/1022486010.db2.gz AIVGWFGZFJNCME-UHFFFAOYSA-N 0 3 300.446 3.877 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc2nccn21 ZINC000179696063 1022511697 /nfs/dbraw/zinc/51/16/97/1022511697.db2.gz UFKSJRXZIDMHIQ-UHFFFAOYSA-N 0 3 304.397 3.617 20 30 DHEDHN CCOc1ccc(O)c(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000180030619 1022612944 /nfs/dbraw/zinc/61/29/44/1022612944.db2.gz APMCSFWGCWUDNE-UHFFFAOYSA-N 0 3 322.408 3.827 20 30 DHEDHN Cc1cccc(N2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172310082 1033077986 /nfs/dbraw/zinc/07/79/86/1033077986.db2.gz ZZTCQIJMYRJPFV-GOSISDBHSA-N 0 3 319.452 3.620 20 30 DHEDHN Cc1cccc(N2CCN([C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172310084 1033079341 /nfs/dbraw/zinc/07/93/41/1033079341.db2.gz ZZTCQIJMYRJPFV-SFHVURJKSA-N 0 3 319.452 3.620 20 30 DHEDHN COc1ccc(CNCc2ccc(C)c(Cl)c2)cc1C#N ZINC000767685923 1022780915 /nfs/dbraw/zinc/78/09/15/1022780915.db2.gz LWVMPCCGVMURPO-UHFFFAOYSA-N 0 3 300.789 3.819 20 30 DHEDHN C#CCCOc1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000768359316 1022952664 /nfs/dbraw/zinc/95/26/64/1022952664.db2.gz COWIDWMBBPJCHU-HXUWFJFHSA-N 0 3 306.409 3.821 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000768353936 1022952992 /nfs/dbraw/zinc/95/29/92/1022952992.db2.gz CMFFNZRQVKEKRT-KXBFYZLASA-N 0 3 307.397 3.710 20 30 DHEDHN C[C@H](Cc1ccc(Br)cc1)NCC1(C#N)CCC1 ZINC000418144850 1022971517 /nfs/dbraw/zinc/97/15/17/1022971517.db2.gz VFIHVLHCDYWZRI-GFCCVEGCSA-N 0 3 307.235 3.664 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCC)c(Cl)c1 ZINC000876585253 1033099374 /nfs/dbraw/zinc/09/93/74/1033099374.db2.gz FZEIVPANUPJBBC-GFCCVEGCSA-N 0 3 317.216 3.537 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cc(F)c(F)cc1F ZINC001172289621 1033094661 /nfs/dbraw/zinc/09/46/61/1033094661.db2.gz GEMHLKNGCLPJMF-LLVKDONJSA-N 0 3 304.315 3.696 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000876571557 1033095142 /nfs/dbraw/zinc/09/51/42/1033095142.db2.gz MNZOVZNWQPILRL-KBPBESRZSA-N 0 3 315.244 3.623 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1ccc(F)c(F)c1F ZINC001172289286 1033095652 /nfs/dbraw/zinc/09/56/52/1033095652.db2.gz BEFRFHUMGQPKNF-NSHDSACASA-N 0 3 304.315 3.696 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)n1nc(-c2ccccc2)cc1CN ZINC001172295358 1033102386 /nfs/dbraw/zinc/10/23/86/1033102386.db2.gz QSSBFIDWBAVKCS-OAHLLOKOSA-N 0 3 316.408 3.684 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000876599353 1033103136 /nfs/dbraw/zinc/10/31/36/1033103136.db2.gz YKTSFXSFPKWVPV-IRXDYDNUSA-N 0 3 318.848 3.525 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1c1ccc(C)cc1 ZINC000876663116 1033117958 /nfs/dbraw/zinc/11/79/58/1033117958.db2.gz QKLVYKUZTNJOCM-CVEARBPZSA-N 0 3 306.837 3.519 20 30 DHEDHN CCCCCCC[C@H](CC)N1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001172360052 1033139507 /nfs/dbraw/zinc/13/95/07/1033139507.db2.gz IHRKKESMIDLLKO-KSZLIROESA-N 0 3 310.526 3.919 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccnc(SC)c2)cc1 ZINC000772474328 1023558554 /nfs/dbraw/zinc/55/85/54/1023558554.db2.gz ZZWAAOJUWRUEGV-CQSZACIVSA-N 0 3 312.438 3.666 20 30 DHEDHN CCCCCCC[C@H](CC)N1CCC[C@H](S(C)(=O)=O)C1 ZINC001172362153 1033142171 /nfs/dbraw/zinc/14/21/71/1033142171.db2.gz SSSCEZFJDHUBFV-HOTGVXAUSA-N 0 3 303.512 3.635 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccco2)cc1 ZINC000772643742 1023581106 /nfs/dbraw/zinc/58/11/06/1023581106.db2.gz DZYQAALOJIGPPN-KRWDZBQOSA-N 0 3 324.380 3.512 20 30 DHEDHN C=CCc1cc(CN2CC(C)(C)OC(C)(C)C2)c(O)c(OC)c1 ZINC000785515079 1023586855 /nfs/dbraw/zinc/58/68/55/1023586855.db2.gz KKNYRGJVGLASQS-UHFFFAOYSA-N 0 3 319.445 3.519 20 30 DHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCO2 ZINC000787030019 1023750611 /nfs/dbraw/zinc/75/06/11/1023750611.db2.gz HPYZBHQJSHDSMX-DJJJIMSYSA-N 0 3 304.393 3.831 20 30 DHEDHN C=C(Cl)CN[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788259152 1023866335 /nfs/dbraw/zinc/86/63/35/1023866335.db2.gz VAYNZIYJJAZHHP-OLZOCXBDSA-N 0 3 302.846 3.555 20 30 DHEDHN CC(C)[C@H](NCc1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000788537957 1023901970 /nfs/dbraw/zinc/90/19/70/1023901970.db2.gz LFZCDGHNVXMEPA-RBUKOAKNSA-N 0 3 312.388 3.545 20 30 DHEDHN N#Cc1ccc([C@H](O)CN2CCC(F)(c3ccccc3)CC2)cc1 ZINC000789312470 1024045263 /nfs/dbraw/zinc/04/52/63/1024045263.db2.gz VXKWSPGPQHJODG-LJQANCHMSA-N 0 3 324.399 3.552 20 30 DHEDHN CN(CC(=O)N[C@H](CCCC#N)c1ccccc1)CC(C)(C)C ZINC000602157003 1024087871 /nfs/dbraw/zinc/08/78/71/1024087871.db2.gz AWJAFECLFFRMDU-QGZVFWFLSA-N 0 3 315.461 3.516 20 30 DHEDHN CC(C)c1cccc2c1CCN(C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000789555179 1024110643 /nfs/dbraw/zinc/11/06/43/1024110643.db2.gz UDTXDQWOAPMRGD-OAQYLSRUSA-N 0 3 320.436 3.773 20 30 DHEDHN C#CCn1ccc(CN(CC)C[C@@H](CCC)c2ccccc2)n1 ZINC000789759565 1024159260 /nfs/dbraw/zinc/15/92/60/1024159260.db2.gz VSRIGIQDGFUKGO-LJQANCHMSA-N 0 3 309.457 3.922 20 30 DHEDHN COCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000268839198 1024174515 /nfs/dbraw/zinc/17/45/15/1024174515.db2.gz ZBORVMQYNRHEHK-JKSUJKDBSA-N 0 3 324.424 3.995 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)c1cccc(C#N)c1 ZINC000268987649 1024213267 /nfs/dbraw/zinc/21/32/67/1024213267.db2.gz QKPZSMBTMPQOEN-DJEJFTSGSA-N 0 3 312.438 3.707 20 30 DHEDHN C=CCC[C@H](NCc1nccs1)[C@@H]1Cc2ccccc2O1 ZINC000883174146 1024268053 /nfs/dbraw/zinc/26/80/53/1024268053.db2.gz CQVREEWFWMHSNH-HOCLYGCPSA-N 0 3 300.427 3.571 20 30 DHEDHN C=CCC[C@H](N[C@@H]1CCCc2cn(C(C)C)nc21)[C@H]1CCCO1 ZINC000883216506 1024294578 /nfs/dbraw/zinc/29/45/78/1024294578.db2.gz RDMDCSKHHFSGHA-RCCFBDPRSA-N 0 3 317.477 3.945 20 30 DHEDHN C=CCCC[C@@H](NCc1cnc(N(C)C)nc1)c1ccccc1 ZINC000883324932 1024378150 /nfs/dbraw/zinc/37/81/50/1024378150.db2.gz JKCIJEYGYANGSD-GOSISDBHSA-N 0 3 310.445 3.730 20 30 DHEDHN C=CCC1(CN[C@H](c2cn[nH]n2)c2ccc(F)cc2)CCCC1 ZINC000453348529 1024473445 /nfs/dbraw/zinc/47/34/45/1024473445.db2.gz FREHNBGJUYGQOZ-KRWDZBQOSA-N 0 3 314.408 3.759 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(F)cc1OC(F)F ZINC000453358653 1024481134 /nfs/dbraw/zinc/48/11/34/1024481134.db2.gz OZRSDRBTGNSSCJ-HONMWMINSA-N 0 3 315.335 3.811 20 30 DHEDHN CC(C)OCC[C@@H](C)N1CCC(C#N)(c2ccccc2F)CC1 ZINC001172460928 1033214711 /nfs/dbraw/zinc/21/47/11/1033214711.db2.gz QXUQSFSJMMDNOU-MRXNPFEDSA-N 0 3 318.436 3.886 20 30 DHEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccc(F)cn1 ZINC000271397369 1024498275 /nfs/dbraw/zinc/49/82/75/1024498275.db2.gz RCKFWFGLUDCVQX-CYBMUJFWSA-N 0 3 315.417 3.676 20 30 DHEDHN CC[C@@H](C)CN(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000111692137 1024561639 /nfs/dbraw/zinc/56/16/39/1024561639.db2.gz BLANYEOIUBYVKX-CQSZACIVSA-N 0 3 321.852 3.565 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2c(O)cccc21 ZINC000585726623 1024574442 /nfs/dbraw/zinc/57/44/42/1024574442.db2.gz SXDQBTCAIGVMIV-OALUTQOASA-N 0 3 304.393 3.918 20 30 DHEDHN CCC[C@@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000348816808 1024622667 /nfs/dbraw/zinc/62/26/67/1024622667.db2.gz MSNRVDRWRNORHI-QGZVFWFLSA-N 0 3 313.445 3.588 20 30 DHEDHN COc1ccc(Cl)cc1N1CCN([C@@H](C)CCCC#N)CC1 ZINC001172501459 1033231385 /nfs/dbraw/zinc/23/13/85/1033231385.db2.gz QMLVONBHEXVBQX-AWEZNQCLSA-N 0 3 321.852 3.553 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N2CCc3cccnc3C2)CC1 ZINC001170395751 1024763572 /nfs/dbraw/zinc/76/35/72/1024763572.db2.gz OQIMOXBWJVUIHK-UHFFFAOYSA-N 0 3 317.436 3.844 20 30 DHEDHN COc1ccc([C@@H]2CSCCN2[C@H](C)CCCC#N)cc1 ZINC001172506937 1033235192 /nfs/dbraw/zinc/23/51/92/1033235192.db2.gz MGOQRHGCUGWBGD-PBHICJAKSA-N 0 3 304.459 3.867 20 30 DHEDHN CCCCCCC[C@H](CCC)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001172511251 1033237103 /nfs/dbraw/zinc/23/71/03/1033237103.db2.gz PFQFWBSQTUHDNM-JKSUJKDBSA-N 0 3 303.512 3.635 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000793231831 1024943392 /nfs/dbraw/zinc/94/33/92/1024943392.db2.gz RBYAPYRGAVWYPP-LALPHHSUSA-N 0 3 312.335 3.750 20 30 DHEDHN C[C@@H]1C[C@@H](C)CC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000119222328 1024952740 /nfs/dbraw/zinc/95/27/40/1024952740.db2.gz YNNPBOKGUUXWOT-WOSRLPQWSA-N 0 3 310.401 3.523 20 30 DHEDHN COc1cc(CNCc2cc(F)cc3cccnc32)ccc1C#N ZINC000353211597 1024982540 /nfs/dbraw/zinc/98/25/40/1024982540.db2.gz OLZWEKPILQUWDZ-UHFFFAOYSA-N 0 3 321.355 3.544 20 30 DHEDHN COCc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccc1F ZINC000353271487 1025009306 /nfs/dbraw/zinc/00/93/06/1025009306.db2.gz YSCHJPFNIDZNAA-IBGZPJMESA-N 0 3 310.372 3.621 20 30 DHEDHN COc1cccc(CN(Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000353302279 1025018763 /nfs/dbraw/zinc/01/87/63/1025018763.db2.gz ICSRPUNDIFBBQG-UHFFFAOYSA-N 0 3 309.413 3.620 20 30 DHEDHN N#Cc1ccc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)s1 ZINC000120790486 1025054865 /nfs/dbraw/zinc/05/48/65/1025054865.db2.gz GNQHQECGGKBIJG-KSSFIOAISA-N 0 3 312.438 3.877 20 30 DHEDHN C=CC[C@H](C)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001167889379 1025191013 /nfs/dbraw/zinc/19/10/13/1025191013.db2.gz LEEWNYQUPMQXRD-GOEBONIOSA-N 0 3 312.413 3.592 20 30 DHEDHN N#CCCC[C@H](NCc1cnn2ccccc12)c1ccccc1 ZINC000353900192 1025285882 /nfs/dbraw/zinc/28/58/82/1025285882.db2.gz NDZWRPKBVCDILL-SFHVURJKSA-N 0 3 304.397 3.859 20 30 DHEDHN CN(C)c1ncc(CN[C@@H](CCCC#N)c2ccccc2)s1 ZINC000353917730 1025291286 /nfs/dbraw/zinc/29/12/86/1025291286.db2.gz VPNFQIHSJWTOSE-INIZCTEOSA-N 0 3 314.458 3.734 20 30 DHEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1coc2ccccc12 ZINC001275288755 1025296620 /nfs/dbraw/zinc/29/66/20/1025296620.db2.gz QCWAUMJPYCCFRD-FQEVSTJZSA-N 0 3 324.424 3.576 20 30 DHEDHN N#CC(C(=O)c1ccc2c(c1)oc1ccccc12)c1ccncn1 ZINC000354054153 1025336790 /nfs/dbraw/zinc/33/67/90/1025336790.db2.gz RJGPGIFWLQKLEM-OAHLLOKOSA-N 0 3 313.316 3.866 20 30 DHEDHN N#Cc1cccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000053230121 1025344915 /nfs/dbraw/zinc/34/49/15/1025344915.db2.gz FQKSPDMRXPUOLW-FQEVSTJZSA-N 0 3 306.409 3.739 20 30 DHEDHN N#CC1(C[C@@H](O)CN2CCCC[C@H]2c2ccc(F)cc2)CCC1 ZINC000886033533 1025445747 /nfs/dbraw/zinc/44/57/47/1025445747.db2.gz WOXKOIRBJMTXBF-MSOLQXFVSA-N 0 3 316.420 3.798 20 30 DHEDHN C[C@H]1CCCCN(Cc2ccc(C#N)cc2Br)C1 ZINC001137632889 1025448532 /nfs/dbraw/zinc/44/85/32/1025448532.db2.gz OCIKZGUFOGMRMK-LBPRGKRZSA-N 0 3 307.235 3.943 20 30 DHEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccc(F)cc1Cl ZINC000886111593 1025511290 /nfs/dbraw/zinc/51/12/90/1025511290.db2.gz FEZBVQBRJWDEJS-YPMHNXCESA-N 0 3 310.800 3.575 20 30 DHEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccsc1 ZINC000130163188 1025537743 /nfs/dbraw/zinc/53/77/43/1025537743.db2.gz MEVKJKBHGNOMSA-SNVBAGLBSA-N 0 3 322.748 3.502 20 30 DHEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000127501994 1025543137 /nfs/dbraw/zinc/54/31/37/1025543137.db2.gz JRNPFYMUKIMEKW-YZDRJCRTSA-N 0 3 318.420 3.730 20 30 DHEDHN N#CC(C(=O)c1ccc2ccccc2n1)c1nc2ccccc2[nH]1 ZINC000046439485 1025581876 /nfs/dbraw/zinc/58/18/76/1025581876.db2.gz FSMDUDZUIVIPNW-ZDUSSCGKSA-N 0 3 312.332 3.601 20 30 DHEDHN CC(=O)Nc1cccc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000060566436 1025588145 /nfs/dbraw/zinc/58/81/45/1025588145.db2.gz WGWMNSQEBOXBOQ-UHFFFAOYSA-N 0 3 321.424 3.927 20 30 DHEDHN C#CC[C@@H]1CCN([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000886355279 1025602563 /nfs/dbraw/zinc/60/25/63/1025602563.db2.gz FVEDYSIEOVCLIR-QWHCGFSZSA-N 0 3 315.804 3.796 20 30 DHEDHN C#CCC1(NCc2cc(C(F)(F)F)ccc2F)CCOCC1 ZINC000886381612 1025611202 /nfs/dbraw/zinc/61/12/02/1025611202.db2.gz KGIWYMSBISYGLN-UHFFFAOYSA-N 0 3 315.310 3.507 20 30 DHEDHN C=C(C)[C@H](C)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805916828 1025709415 /nfs/dbraw/zinc/70/94/15/1025709415.db2.gz PKNDPFUQKVXALR-INIZCTEOSA-N 0 3 301.430 3.797 20 30 DHEDHN C#C[C@@H](NCc1cc(Br)c(OC)s1)C(C)(C)C ZINC000809781341 1025722401 /nfs/dbraw/zinc/72/24/01/1025722401.db2.gz OZFNAXRVMMWKGW-LLVKDONJSA-N 0 3 316.264 3.657 20 30 DHEDHN CCCN(CCC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000355465704 1025732342 /nfs/dbraw/zinc/73/23/42/1025732342.db2.gz NSXBSCGRHWDPGA-UHFFFAOYSA-N 0 3 321.852 3.709 20 30 DHEDHN CSc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1C#N ZINC000886690510 1025794127 /nfs/dbraw/zinc/79/41/27/1025794127.db2.gz XEXZZFRLZFBIBD-OAHLLOKOSA-N 0 3 310.422 3.763 20 30 DHEDHN CSc1ccc(CN[C@H](c2cnn(C)c2)C(C)C)cc1C#N ZINC000886692471 1025797505 /nfs/dbraw/zinc/79/75/05/1025797505.db2.gz ZKUDJMOVSIYVMK-KRWDZBQOSA-N 0 3 314.458 3.501 20 30 DHEDHN C=C(C)CCN[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000419232171 1025904053 /nfs/dbraw/zinc/90/40/53/1025904053.db2.gz DSSQEMITBCRXKD-LJQANCHMSA-N 0 3 324.424 3.931 20 30 DHEDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCC1(C#N)CCCCC1 ZINC000411306098 1025937399 /nfs/dbraw/zinc/93/73/99/1025937399.db2.gz LCALYAKKHGTKCA-MSOLQXFVSA-N 0 3 319.493 3.572 20 30 DHEDHN C[C@H](c1ccco1)N(CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000086234970 1026020086 /nfs/dbraw/zinc/02/00/86/1026020086.db2.gz LXGPURWJHQWKJG-CQSZACIVSA-N 0 3 323.396 3.705 20 30 DHEDHN C=CCCC1(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000356386931 1026038378 /nfs/dbraw/zinc/03/83/78/1026038378.db2.gz WSDOJUGHVOBWES-WMZOPIPTSA-N 0 3 312.457 3.512 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000128937149 1026132264 /nfs/dbraw/zinc/13/22/64/1026132264.db2.gz BEOOLXGYOHUMCK-XLIONFOSSA-N 0 3 322.452 3.641 20 30 DHEDHN C[C@@H]1[C@H](C)CN(CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000419391701 1026348984 /nfs/dbraw/zinc/34/89/84/1026348984.db2.gz KCDXQGBJABBCHQ-OAGGEKHMSA-N 0 3 323.440 3.714 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2cccc(F)c2)s1 ZINC000419832517 1026766863 /nfs/dbraw/zinc/76/68/63/1026766863.db2.gz JXNSXGOWQQCURI-GFCCVEGCSA-N 0 3 317.389 3.826 20 30 DHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000618805622 1026850748 /nfs/dbraw/zinc/85/07/48/1026850748.db2.gz OTQSNXNVDIGTRH-XIKOKIGWSA-N 0 3 307.353 3.805 20 30 DHEDHN N#Cc1cccc(OCCN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420940580 1026885568 /nfs/dbraw/zinc/88/55/68/1026885568.db2.gz DRDAUGNAHDAZKL-CQSZACIVSA-N 0 3 312.335 3.601 20 30 DHEDHN C=CCOc1cccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000414484154 1026903337 /nfs/dbraw/zinc/90/33/37/1026903337.db2.gz JEEABPUJGWAEQI-AZUAARDMSA-N 0 3 309.409 3.559 20 30 DHEDHN C=CCCCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000811011833 1026915094 /nfs/dbraw/zinc/91/50/94/1026915094.db2.gz NZICIKWAQFWZMH-UHFFFAOYSA-N 0 3 301.430 3.798 20 30 DHEDHN COCCN(Cc1cc(C#N)ccc1F)C[C@@H]1CC=CCC1 ZINC000362244063 1027110536 /nfs/dbraw/zinc/11/05/36/1027110536.db2.gz IRJIVLHRMJICIR-OAHLLOKOSA-N 0 3 302.393 3.502 20 30 DHEDHN N#CCC[C@@H](C#N)CNCC1(Cc2cccc(Cl)c2)CC1 ZINC000571303606 1027118291 /nfs/dbraw/zinc/11/82/91/1027118291.db2.gz FJISVDIBUCFZEF-HNNXBMFYSA-N 0 3 301.821 3.696 20 30 DHEDHN N#CC1CCC(CN2CCc3nc[nH]c3[C@H]2c2ccccc2)CC1 ZINC000931796126 1027257884 /nfs/dbraw/zinc/25/78/84/1027257884.db2.gz CJIYLOHHNDTFKK-ALLBUHFWSA-N 0 3 320.440 3.687 20 30 DHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(C#N)ccc1F ZINC001170680936 1027323707 /nfs/dbraw/zinc/32/37/07/1027323707.db2.gz ITDOXPHNJKTUNP-LBPRGKRZSA-N 0 3 306.344 3.570 20 30 DHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(CS)cc1 ZINC001170685857 1027382693 /nfs/dbraw/zinc/38/26/93/1027382693.db2.gz IABCSEUWABMWFM-ZDUSSCGKSA-N 0 3 309.438 3.989 20 30 DHEDHN C[C@@H](CCC#N)N[C@H]1CCOc2ccc(Br)cc21 ZINC000932204983 1027413312 /nfs/dbraw/zinc/41/33/12/1027413312.db2.gz BKOAQYQHPZGNTN-GWCFXTLKSA-N 0 3 309.207 3.555 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1OC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847423 1027443608 /nfs/dbraw/zinc/44/36/08/1027443608.db2.gz DBBWHUUMZHIVOW-YWZLYKJASA-N 0 3 324.424 3.511 20 30 DHEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1C1CC1 ZINC000562594586 1027515714 /nfs/dbraw/zinc/51/57/14/1027515714.db2.gz UGRCLCPAXZSTCM-CQSZACIVSA-N 0 3 312.394 3.828 20 30 DHEDHN CC(C)(C#N)CCN1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932620938 1027568937 /nfs/dbraw/zinc/56/89/37/1027568937.db2.gz RDCWMKOJKNFAKQ-UHFFFAOYSA-N 0 3 303.475 3.751 20 30 DHEDHN CC(C)N(Cc1cnc2c(C#N)cnn2c1)[C@@H](C)c1ccccc1 ZINC000576875030 1027673518 /nfs/dbraw/zinc/67/35/18/1027673518.db2.gz HERSCKDYLASEAT-HNNXBMFYSA-N 0 3 319.412 3.573 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@@]1(C)CCOc2ccccc21 ZINC000933369479 1027725049 /nfs/dbraw/zinc/72/50/49/1027725049.db2.gz JYMNUIALJZURFY-FQEVSTJZSA-N 0 3 306.409 3.963 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCCCC(F)(F)F ZINC000778172725 1027735319 /nfs/dbraw/zinc/73/53/19/1027735319.db2.gz OPDWPKQZAOFFDL-UHFFFAOYSA-N 0 3 305.727 3.784 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCC(CC)(CC)CCO ZINC000778172660 1027740656 /nfs/dbraw/zinc/74/06/56/1027740656.db2.gz NBDGCKFTDGZNNH-UHFFFAOYSA-N 0 3 323.864 3.630 20 30 DHEDHN Cc1cc(CN[C@@H](c2ccccc2)C(C)(C)CO)ccc1C#N ZINC000578369940 1028133543 /nfs/dbraw/zinc/13/35/43/1028133543.db2.gz IVZYTEFDCGDNTB-IBGZPJMESA-N 0 3 308.425 3.716 20 30 DHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cccc([N+](=O)[O-])c1 ZINC000564418918 1028438426 /nfs/dbraw/zinc/43/84/26/1028438426.db2.gz ICNWSGHQXLUPEO-KPZWWZAWSA-N 0 3 307.353 3.805 20 30 DHEDHN CC[C@H](c1ccccc1O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000369509532 1028496068 /nfs/dbraw/zinc/49/60/68/1028496068.db2.gz KVKPUGPUHIYHQG-QUCCMNQESA-N 0 3 322.408 3.788 20 30 DHEDHN COC(=O)CC[C@@H](CC1CCCCC1)NCc1ccc(C#N)o1 ZINC000564985405 1028525353 /nfs/dbraw/zinc/52/53/53/1028525353.db2.gz IOGJDPGKPLIHAE-HNNXBMFYSA-N 0 3 318.417 3.533 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)cc1)c1ccc(C(=O)OC)cc1 ZINC000815560673 1028544507 /nfs/dbraw/zinc/54/45/07/1028544507.db2.gz MVSZSMJRMOSIMD-SFHVURJKSA-N 0 3 308.381 3.586 20 30 DHEDHN N#CC(C(=O)CCc1cncs1)c1nccc2ccccc21 ZINC000816045770 1028695602 /nfs/dbraw/zinc/69/56/02/1028695602.db2.gz WPRIIUMOVWPJDP-HNNXBMFYSA-N 0 3 307.378 3.500 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC(C)C)cc2)n1 ZINC000041520616 1028741692 /nfs/dbraw/zinc/74/16/92/1028741692.db2.gz XBYODOOEUHUSMO-AWEZNQCLSA-N 0 3 300.383 3.729 20 30 DHEDHN C#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000816631666 1028984289 /nfs/dbraw/zinc/98/42/89/1028984289.db2.gz ZPTJOPVXROBFFU-FQEVSTJZSA-N 0 3 305.421 3.661 20 30 DHEDHN C=CC[C@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000628493928 1029079541 /nfs/dbraw/zinc/07/95/41/1029079541.db2.gz ZWPHYJCVHMLQFV-KRWDZBQOSA-N 0 3 312.457 3.711 20 30 DHEDHN COc1ccc([C@H](CO)N(C)CCC2(C#N)CCCCC2)cc1 ZINC000411271860 1029086718 /nfs/dbraw/zinc/08/67/18/1029086718.db2.gz RPLTXPRXVBKAMG-SFHVURJKSA-N 0 3 316.445 3.525 20 30 DHEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(C)sc1C ZINC001276167425 1029153599 /nfs/dbraw/zinc/15/35/99/1029153599.db2.gz VNMSYVCWEKHHOW-SFHVURJKSA-N 0 3 318.486 3.508 20 30 DHEDHN C=CCCC[C@@H](C)N(CC)CC(=O)Nc1cccc(OC)c1 ZINC000568979047 1029154858 /nfs/dbraw/zinc/15/48/58/1029154858.db2.gz KKKXDVWYDDVLAJ-OAHLLOKOSA-N 0 3 304.434 3.700 20 30 DHEDHN CC[C@@H]1C[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])CCO1 ZINC000817708483 1029230487 /nfs/dbraw/zinc/23/04/87/1029230487.db2.gz YTAQWGGMBJPUON-FLDNEHPCSA-N 0 3 304.434 3.615 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450297996 1029332385 /nfs/dbraw/zinc/33/23/85/1029332385.db2.gz KXIORZUNGGHQMG-UWJYYQICSA-N 0 3 320.436 3.711 20 30 DHEDHN C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000044276652 1029377057 /nfs/dbraw/zinc/37/70/57/1029377057.db2.gz VKGYXTNFKQTBOY-AWEZNQCLSA-N 0 3 322.412 3.503 20 30 DHEDHN COc1ccc(CN2CCCC(C)(C)C2)cc1OCCCC#N ZINC000121147638 1029534850 /nfs/dbraw/zinc/53/48/50/1029534850.db2.gz RKIFGTJJPJWJNC-UHFFFAOYSA-N 0 3 316.445 4.000 20 30 DHEDHN CC(C)[C@@H](NCc1ccc(Cl)cc1C#N)C1(CO)CCCC1 ZINC001170931058 1029589725 /nfs/dbraw/zinc/58/97/25/1029589725.db2.gz WAESCJANRQMUMQ-QGZVFWFLSA-N 0 3 320.864 3.879 20 30 DHEDHN C[C@H]1C[C@@H](C(F)(F)F)CCN1CCOc1ccc(C#N)cc1 ZINC000451418963 1029871923 /nfs/dbraw/zinc/87/19/23/1029871923.db2.gz NSEHWUPVRCFPTQ-JSGCOSHPSA-N 0 3 312.335 3.600 20 30 DHEDHN N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000822497401 1030049090 /nfs/dbraw/zinc/04/90/90/1030049090.db2.gz CGGDLDIWNAWVAR-FUHWJXTLSA-N 0 3 322.408 3.753 20 30 DHEDHN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[C@@H](C)C1 ZINC000452060609 1030110932 /nfs/dbraw/zinc/11/09/32/1030110932.db2.gz DXWOUWREHFWVBU-IJEWVQPXSA-N 0 3 324.428 3.913 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000925692704 1030454813 /nfs/dbraw/zinc/45/48/13/1030454813.db2.gz AFEDSGVTCYPLRD-PXNSSMCTSA-N 0 3 310.441 3.562 20 30 DHEDHN COc1cc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000558275723 1030513205 /nfs/dbraw/zinc/51/32/05/1030513205.db2.gz MJUXJVLIAYDKFO-SCLBCKFNSA-N 0 3 307.397 3.690 20 30 DHEDHN C=C(Cl)CN[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788259151 1030529049 /nfs/dbraw/zinc/52/90/49/1030529049.db2.gz VAYNZIYJJAZHHP-CHWSQXEVSA-N 0 3 302.846 3.555 20 30 DHEDHN CCc1nc(CCN[C@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358565730 1030540022 /nfs/dbraw/zinc/54/00/22/1030540022.db2.gz HVZIAILTKGZSNI-LLVKDONJSA-N 0 3 303.406 3.610 20 30 DHEDHN COc1cccc2c1OCCC[C@H]2N[C@H](C)CC(C)(C)C#N ZINC000926858990 1030956693 /nfs/dbraw/zinc/95/66/93/1030956693.db2.gz QTNQAJGMRVHBAI-UKRRQHHQSA-N 0 3 302.418 3.827 20 30 DHEDHN Cc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1C#N ZINC000926961897 1031019274 /nfs/dbraw/zinc/01/92/74/1031019274.db2.gz KHRJGPZJIRHYAZ-LJQANCHMSA-N 0 3 321.380 3.942 20 30 DHEDHN CCCOc1cccc(CN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844370526 1031074202 /nfs/dbraw/zinc/07/42/02/1031074202.db2.gz IEWMNGAETJYRLN-FQEVSTJZSA-N 0 3 324.424 3.512 20 30 DHEDHN N#Cc1cc(CN[C@H](c2ccccc2)C2(CO)CCC2)ccc1F ZINC000292555254 1031074461 /nfs/dbraw/zinc/07/44/61/1031074461.db2.gz ANSDRSGGQASOJU-LJQANCHMSA-N 0 3 324.399 3.691 20 30 DHEDHN COc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c(C)c1OC ZINC000927122830 1031106551 /nfs/dbraw/zinc/10/65/51/1031106551.db2.gz KBAWXUGAULHLQC-SFHVURJKSA-N 0 3 322.408 3.661 20 30 DHEDHN N#CCOc1cccc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000125040158 1031171660 /nfs/dbraw/zinc/17/16/60/1031171660.db2.gz OQQARHVSYRCWOL-QGZVFWFLSA-N 0 3 310.422 3.916 20 30 DHEDHN Cc1c(O)cccc1CN1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001144118351 1031254329 /nfs/dbraw/zinc/25/43/29/1031254329.db2.gz UODQFDJOVSSXNS-GOSISDBHSA-N 0 3 322.408 3.616 20 30 DHEDHN Cc1ccc2c(c1)C1(CC2)CCN(Cc2ccc(C#N)cn2)CC1 ZINC001144158321 1031295008 /nfs/dbraw/zinc/29/50/08/1031295008.db2.gz BEZSSRLBPYZPHZ-UHFFFAOYSA-N 0 3 317.436 3.742 20 30 DHEDHN C=CCc1cc(CN2CCS[C@@H](C(C)C)C2)cc(OC)c1O ZINC000536672542 1031380339 /nfs/dbraw/zinc/38/03/39/1031380339.db2.gz SIPQYXIGWMTCHC-QGZVFWFLSA-N 0 3 321.486 3.703 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](CO)c1ccc(F)cc1 ZINC000360665438 1031511817 /nfs/dbraw/zinc/51/18/17/1031511817.db2.gz XMCVFMLITWWFGB-PMACEKPBSA-N 0 3 324.399 3.788 20 30 DHEDHN COc1ccc([C@@H](NCC#Cc2ccc(F)cc2)C2CC2)cc1 ZINC000537289648 1031554657 /nfs/dbraw/zinc/55/46/57/1031554657.db2.gz JKESGWHALUIWQL-FQEVSTJZSA-N 0 3 309.384 3.927 20 30 DHEDHN C=CCCC[C@@H](C)N[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000537319111 1031571416 /nfs/dbraw/zinc/57/14/16/1031571416.db2.gz VFYBLDXQANNYSQ-AEFFLSMTSA-N 0 3 302.462 3.931 20 30 DHEDHN C=CCCC[C@H](C)N[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000537319117 1031572857 /nfs/dbraw/zinc/57/28/57/1031572857.db2.gz VFYBLDXQANNYSQ-FUHWJXTLSA-N 0 3 302.462 3.931 20 30 DHEDHN COc1ccc(CNCc2cccc(OCCCC#N)c2)c(C)c1 ZINC000537323544 1031572896 /nfs/dbraw/zinc/57/28/96/1031572896.db2.gz POQJCKSJWURQNI-UHFFFAOYSA-N 0 3 324.424 3.976 20 30 DHEDHN CSCC1(CC(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000845446729 1031587052 /nfs/dbraw/zinc/58/70/52/1031587052.db2.gz UJLMYMVYRCHMKA-NSHDSACASA-N 0 3 300.383 3.537 20 30 DHEDHN Cc1nc2cc(NC(=N)c3ccc4cc(O)ccc4c3)ccc2[nH]1 ZINC001171184966 1031591317 /nfs/dbraw/zinc/59/13/17/1031591317.db2.gz QVGULUQHIKNHCA-UHFFFAOYSA-N 0 3 316.364 3.767 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)OCO2 ZINC000537406002 1031592823 /nfs/dbraw/zinc/59/28/23/1031592823.db2.gz CAOVOSKSATXNBG-NWDGAFQWSA-N 0 3 312.344 3.838 20 30 DHEDHN N#Cc1ccc(C2CCN(Cc3cn4ccnc4s3)CC2)cc1 ZINC000897588566 1031661067 /nfs/dbraw/zinc/66/10/67/1031661067.db2.gz GMZPHNKCFMFTOL-UHFFFAOYSA-N 0 3 322.437 3.647 20 30 DHEDHN N#Cc1ccc(C2CCN(Cc3cnn(C4CCC4)c3)CC2)cc1 ZINC000897589437 1031662975 /nfs/dbraw/zinc/66/29/75/1031662975.db2.gz YBCIBOWQFVWULC-UHFFFAOYSA-N 0 3 320.440 3.859 20 30 DHEDHN N#Cc1ccc(C2CCN(Cc3cccc4nccn43)CC2)cc1 ZINC000897589463 1031664803 /nfs/dbraw/zinc/66/48/03/1031664803.db2.gz ZFHINNGCCMVWEJ-UHFFFAOYSA-N 0 3 316.408 3.586 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000930208783 1031736007 /nfs/dbraw/zinc/73/60/07/1031736007.db2.gz WMGVIHKJBDHLAE-AWEZNQCLSA-N 0 3 309.369 3.934 20 30 DHEDHN Cc1cccnc1[C@@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000897630091 1031756425 /nfs/dbraw/zinc/75/64/25/1031756425.db2.gz QRYLMSHEYATGGL-KGLIPLIRSA-N 0 3 312.442 3.534 20 30 DHEDHN CN(C)[C@H](CNc1c(Cl)cccc1C#N)c1ccsc1 ZINC000361162596 1031764438 /nfs/dbraw/zinc/76/44/38/1031764438.db2.gz UEVQBQFVRVCXSP-CQSZACIVSA-N 0 3 305.834 3.988 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001171210946 1031856353 /nfs/dbraw/zinc/85/63/53/1031856353.db2.gz XTEZTQHAFLKTEL-SWLSCSKDSA-N 0 3 314.326 3.713 20 30 DHEDHN CC[C@H](NC(=O)C(C#N)C(=O)C1CCC=CCC1)c1ccccc1 ZINC000873523106 1031857602 /nfs/dbraw/zinc/85/76/02/1031857602.db2.gz NAOIGFZDZBVSJB-ROUUACIJSA-N 0 3 324.424 3.709 20 30 DHEDHN CC[C@@H](NC(=O)C(C#N)C(=O)C1CCC=CCC1)c1ccccc1 ZINC000873523107 1031858866 /nfs/dbraw/zinc/85/88/66/1031858866.db2.gz NAOIGFZDZBVSJB-ZWKOTPCHSA-N 0 3 324.424 3.709 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846107003 1031881329 /nfs/dbraw/zinc/88/13/29/1031881329.db2.gz DQDXUESYJMRPTC-CZUORRHYSA-N 0 3 306.356 3.599 20 30 DHEDHN C=CCOc1ccccc1CN[C@H](C)c1cccc(OC)c1O ZINC000846145866 1031907864 /nfs/dbraw/zinc/90/78/64/1031907864.db2.gz OLVCYCBHDJQVDO-CQSZACIVSA-N 0 3 313.397 3.816 20 30 DHEDHN N#CC(C(=O)c1ccc([N+](=O)[O-])cc1)c1nccc2ccccc21 ZINC000361527139 1031971892 /nfs/dbraw/zinc/97/18/92/1031971892.db2.gz QRSKWIJNVLLYPG-INIZCTEOSA-N 0 3 317.304 3.633 20 30 DHEDHN N#CC(C(=O)c1ccc([N+](=O)[O-])cc1)c1nccc2ccccc21 ZINC000361527153 1031973402 /nfs/dbraw/zinc/97/34/02/1031973402.db2.gz QRSKWIJNVLLYPG-MRXNPFEDSA-N 0 3 317.304 3.633 20 30 DHEDHN N#CC1CCC(CN[C@@H](Cc2ccccc2)c2ncco2)CC1 ZINC000930892961 1031976851 /nfs/dbraw/zinc/97/68/51/1031976851.db2.gz DDEKLPLSAAPGTL-ABHNRTSZSA-N 0 3 309.413 3.878 20 30 DHEDHN N#CC1CCC(CN[C@H](Cc2ccccc2)c2ncco2)CC1 ZINC000930893014 1031977943 /nfs/dbraw/zinc/97/79/43/1031977943.db2.gz DDEKLPLSAAPGTL-DAWZGUTISA-N 0 3 309.413 3.878 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1 ZINC000898324157 1032023373 /nfs/dbraw/zinc/02/33/73/1032023373.db2.gz CHXJLEBISHFQKT-KUHUBIRLSA-N 0 3 307.397 3.613 20 30 DHEDHN C=C(C)c1cccc(NC2CCN(CCCC(=O)OC)CC2)c1 ZINC000898310929 1032030919 /nfs/dbraw/zinc/03/09/19/1032030919.db2.gz NONIRCXERKGBLE-UHFFFAOYSA-N 0 3 316.445 3.549 20 30 DHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000136959056 1033317766 /nfs/dbraw/zinc/31/77/66/1033317766.db2.gz ZGUSWYQQFOSCPS-BMFZPTHFSA-N 0 3 301.390 3.588 20 30 DHEDHN N=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1ccc2ccccc2n1 ZINC001172710285 1033345708 /nfs/dbraw/zinc/34/57/08/1033345708.db2.gz CFYQMYUNDCXTLL-INIZCTEOSA-N 0 3 321.811 3.761 20 30 DHEDHN CC(C)c1cc([C@@H]2CCCN(Cc3ccc(C#N)s3)C2)[nH]n1 ZINC000877785505 1033449895 /nfs/dbraw/zinc/44/98/95/1033449895.db2.gz ZVWJPMBGMIDINM-CYBMUJFWSA-N 0 3 314.458 3.846 20 30 DHEDHN CC(C)c1cc([C@@H]2CCCN(Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000877785505 1033449899 /nfs/dbraw/zinc/44/98/99/1033449899.db2.gz ZVWJPMBGMIDINM-CYBMUJFWSA-N 0 3 314.458 3.846 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN(C)[C@@H](C)C1CC1 ZINC000552836828 1033520558 /nfs/dbraw/zinc/52/05/58/1033520558.db2.gz WKQBVZZNYOONPJ-ZDUSSCGKSA-N 0 3 304.459 3.634 20 30 DHEDHN CC[C@H](CC#N)N[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173076577 1033531911 /nfs/dbraw/zinc/53/19/11/1033531911.db2.gz UHISTFGUPYFBAH-WCQYABFASA-N 0 3 300.324 3.798 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000152740518 1033541212 /nfs/dbraw/zinc/54/12/12/1033541212.db2.gz QACCORPMOZJWGS-IAGOWNOFSA-N 0 3 321.424 3.673 20 30 DHEDHN C=C(C)[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000478922200 1033611362 /nfs/dbraw/zinc/61/13/62/1033611362.db2.gz WYCBHFUQZPFODA-LXIYXOSZSA-N 0 3 322.399 3.571 20 30 DHEDHN CC[C@@H](CSC)N(C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878343589 1033664643 /nfs/dbraw/zinc/66/46/43/1033664643.db2.gz FTIITGRGUVLILH-ROUUACIJSA-N 0 3 318.486 3.500 20 30 DHEDHN C=CC(C)(C)CC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000878384259 1033684980 /nfs/dbraw/zinc/68/49/80/1033684980.db2.gz AVSLCISGLGMDGI-RDJZCZTQSA-N 0 3 300.446 3.540 20 30 DHEDHN N#CC1(c2ccccn2)CCN(CC[C@H]2CCCC2(F)F)CC1 ZINC000878557321 1033750571 /nfs/dbraw/zinc/75/05/71/1033750571.db2.gz FTXZGUNSZYTMQK-OAHLLOKOSA-N 0 3 319.399 3.764 20 30 DHEDHN C=C(C)COc1cc(CNC[C@@H](C)C(F)(F)F)ccc1OC ZINC000479598663 1033830064 /nfs/dbraw/zinc/83/00/64/1033830064.db2.gz CCIFZWGLYXUOBM-GFCCVEGCSA-N 0 3 317.351 3.938 20 30 DHEDHN C#CC[C@@H](CCOC)N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000862548420 1033885988 /nfs/dbraw/zinc/88/59/88/1033885988.db2.gz FTLBWIHXILQFFZ-APWZRJJASA-N 0 3 308.425 3.828 20 30 DHEDHN C=CCC1(NCc2nnc(-c3ccccc3O)o2)CCCCC1 ZINC000879039894 1033905350 /nfs/dbraw/zinc/90/53/50/1033905350.db2.gz QSVANHIJARCGAW-UHFFFAOYSA-N 0 3 313.401 3.811 20 30 DHEDHN CN(C)Cc1ccccc1Nc1ccc(C#N)c2ncccc12 ZINC001173932575 1033996551 /nfs/dbraw/zinc/99/65/51/1033996551.db2.gz XIQCRJDIVJNJGF-UHFFFAOYSA-N 0 3 302.381 3.912 20 30 DHEDHN N#CC(C(=O)CCCc1ccc(F)c(F)c1)c1ccccn1 ZINC000119955095 1034308211 /nfs/dbraw/zinc/30/82/11/1034308211.db2.gz NBIRJZZJSMNPKC-CYBMUJFWSA-N 0 3 300.308 3.559 20 30 DHEDHN N#CCc1cccc(NC2=CCCN(Cc3ccccc3)C2)c1 ZINC001174394102 1034318717 /nfs/dbraw/zinc/31/87/17/1034318717.db2.gz FYXXEMWGKCKZSP-UHFFFAOYSA-N 0 3 303.409 3.954 20 30 DHEDHN N#CCc1ccccc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174395422 1034324168 /nfs/dbraw/zinc/32/41/68/1034324168.db2.gz VYZHFCYHPKBSFM-UHFFFAOYSA-N 0 3 303.409 3.954 20 30 DHEDHN C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccccc1[O-] ZINC000183454368 1034387126 /nfs/dbraw/zinc/38/71/26/1034387126.db2.gz OBRDNTCPYYHUQL-AWEZNQCLSA-N 0 3 312.438 3.848 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C(C)(C)CO3)n1 ZINC000555064465 1034482824 /nfs/dbraw/zinc/48/28/24/1034482824.db2.gz ZTVJQEZZICDUSD-LBPRGKRZSA-N 0 3 312.394 3.612 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\CCc2cccc(C)n2)c([O-])c1 ZINC000794835233 1034594378 /nfs/dbraw/zinc/59/43/78/1034594378.db2.gz WHBJPYHIJCPLCP-ZHZULCJRSA-N 0 3 311.429 3.603 20 30 DHEDHN CCc1cnccc1[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000773430559 1034691652 /nfs/dbraw/zinc/69/16/52/1034691652.db2.gz ZVGKYXJBSWBSQQ-LSDHHAIUSA-N 0 3 309.413 3.786 20 30 DHEDHN C[C@H](OC(=O)c1cccc(CN2CCCCC2)c1)C(C)(C)C#N ZINC000842324871 1034858677 /nfs/dbraw/zinc/85/86/77/1034858677.db2.gz IHDQISYUOVCILU-HNNXBMFYSA-N 0 3 314.429 3.768 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000179376220 1035103036 /nfs/dbraw/zinc/10/30/36/1035103036.db2.gz QTZACPFSDWQBKZ-KBPBESRZSA-N 0 3 309.413 3.966 20 30 DHEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccco1 ZINC000160172810 1035144515 /nfs/dbraw/zinc/14/45/15/1035144515.db2.gz FHWGXTOXFLVKGW-UKRRQHHQSA-N 0 3 313.376 3.610 20 30 DHEDHN C[C@H]1CN(Cc2ccnc(C#N)c2)CCc2ccc(Cl)cc21 ZINC000593066582 1035146469 /nfs/dbraw/zinc/14/64/69/1035146469.db2.gz NZCKAHUNZOYQON-ZDUSSCGKSA-N 0 3 311.816 3.768 20 30 DHEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000482844666 1035188358 /nfs/dbraw/zinc/18/83/58/1035188358.db2.gz PKDKALDIUPMMKN-GFCCVEGCSA-N 0 3 307.825 3.518 20 30 DHEDHN COc1cc(Nc2ncc[nH]2)c(C#N)cc1OCc1ccccc1 ZINC001176085905 1035193769 /nfs/dbraw/zinc/19/37/69/1035193769.db2.gz UUGBRWMMEGDLDQ-UHFFFAOYSA-N 0 3 320.352 3.613 20 30 DHEDHN Cc1ccccc1[C@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC000483260945 1035247993 /nfs/dbraw/zinc/24/79/93/1035247993.db2.gz QSKKXCZQOJNVAQ-KRWDZBQOSA-N 0 3 305.425 3.750 20 30 DHEDHN Cc1ccccc1[C@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000483409645 1035265947 /nfs/dbraw/zinc/26/59/47/1035265947.db2.gz UONPIFHDAXIZJJ-SFHVURJKSA-N 0 3 319.452 3.746 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccc(F)cc3)C2)cc1F ZINC000483966308 1035311610 /nfs/dbraw/zinc/31/16/10/1035311610.db2.gz SZQHEMARWQRITG-MRXNPFEDSA-N 0 3 312.363 3.901 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccnc(OCC2CC2)c1 ZINC001177674043 1035387023 /nfs/dbraw/zinc/38/70/23/1035387023.db2.gz IQUKKGSXLXENGH-UHFFFAOYSA-N 0 3 321.424 3.649 20 30 DHEDHN CS[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000773772916 1035451532 /nfs/dbraw/zinc/45/15/32/1035451532.db2.gz XSILKSBFZQLWPT-QWRGUYRKSA-N 0 3 324.833 3.519 20 30 DHEDHN C=C(C)C[C@H](CO)NCc1ccc(Br)cc1Cl ZINC001179438735 1035477365 /nfs/dbraw/zinc/47/73/65/1035477365.db2.gz ZRYYAIRNYCDRGB-GFCCVEGCSA-N 0 3 318.642 3.519 20 30 DHEDHN C#Cc1ccc(CN2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001180143319 1035599237 /nfs/dbraw/zinc/59/92/37/1035599237.db2.gz VWQDYAQKLKHBSN-OALUTQOASA-N 0 3 318.464 3.763 20 30 DHEDHN C#CCN(CC)C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001180280883 1035643036 /nfs/dbraw/zinc/64/30/36/1035643036.db2.gz OZRSPXZPKADTFW-OAHLLOKOSA-N 0 3 310.482 3.661 20 30 DHEDHN Cc1ccc(CCN2CCN(c3ccccc3C#N)CC2)cc1C ZINC001180546147 1035715210 /nfs/dbraw/zinc/71/52/10/1035715210.db2.gz CUDMIWCSSXHXAZ-UHFFFAOYSA-N 0 3 319.452 3.540 20 30 DHEDHN N#CC1(C[C@H](O)CN2CC3(CCC3)[C@H]2c2ccccc2)CCC1 ZINC000905956558 1035716305 /nfs/dbraw/zinc/71/63/05/1035716305.db2.gz KSEXCNLQFAVMKU-ZWKOTPCHSA-N 0 3 310.441 3.658 20 30 DHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(OCC#N)cc1 ZINC000784267098 1035780482 /nfs/dbraw/zinc/78/04/82/1035780482.db2.gz WOOQKTHWZACJLW-HNNXBMFYSA-N 0 3 305.381 3.506 20 30 DHEDHN CCCCO[C@@H]1C[C@H](NCc2cc(C#N)ccc2OC)C1(C)C ZINC001194190996 1035869252 /nfs/dbraw/zinc/86/92/52/1035869252.db2.gz MWOKRKFUOWOHDD-ZWKOTPCHSA-N 0 3 316.445 3.640 20 30 DHEDHN CCCCCCCCOC(=O)N1CCC2SC(=O)C=C2C1 ZINC001194737701 1036000483 /nfs/dbraw/zinc/00/04/83/1036000483.db2.gz NECNOEPYEOGCQF-CQSZACIVSA-N 0 3 311.447 3.758 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c([O-])c1 ZINC000775628805 1036097026 /nfs/dbraw/zinc/09/70/26/1036097026.db2.gz AFKONVKGMZORCD-WCWXQUKCSA-N 0 3 318.461 3.717 20 30 DHEDHN Clc1ccccc1C#CCN1CCC[C@@H]1C1CCOCC1 ZINC000540826801 1036163954 /nfs/dbraw/zinc/16/39/54/1036163954.db2.gz PCWGEIFKPLQRPA-GOSISDBHSA-N 0 3 303.833 3.583 20 30 DHEDHN COc1cc(CN2CCC(CC#N)CC2)c(SC)cc1OC ZINC000540994301 1036205624 /nfs/dbraw/zinc/20/56/24/1036205624.db2.gz RCYCPZTZHUXYNG-UHFFFAOYSA-N 0 3 320.458 3.551 20 30 DHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc2ccccc2n1 ZINC000090106957 1036248891 /nfs/dbraw/zinc/24/88/91/1036248891.db2.gz CBEITZFFKTUEME-OAHLLOKOSA-N 0 3 317.392 3.836 20 30 DHEDHN C#CC[C@H]1CCCN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195464481 1036254925 /nfs/dbraw/zinc/25/49/25/1036254925.db2.gz VNAUSSPIWYXIIB-LRDDRELGSA-N 0 3 312.240 3.762 20 30 DHEDHN C=CCN(Cc1cccc(OC(F)(F)F)c1)[C@@H](C)COC ZINC001196048704 1036430858 /nfs/dbraw/zinc/43/08/58/1036430858.db2.gz YRBVOUXJQXSHMF-LBPRGKRZSA-N 0 3 303.324 3.608 20 30 DHEDHN CC1(C)CCC[C@H](CN2CCN(c3ccsc3C#N)CC2)C1 ZINC001182865139 1036470711 /nfs/dbraw/zinc/47/07/11/1036470711.db2.gz SFZOMJOTJHLNIM-HNNXBMFYSA-N 0 3 317.502 3.958 20 30 DHEDHN CC(C)(CCN1CCN(c2ccc(F)cc2C#N)CC1)C1CC1 ZINC001197042024 1036669735 /nfs/dbraw/zinc/66/97/35/1036669735.db2.gz VNVUQEXEILFMCZ-UHFFFAOYSA-N 0 3 315.436 3.646 20 30 DHEDHN N#Cc1ccc(N2CCN(CCCCc3ccccc3)CC2)cc1 ZINC001197033888 1036675815 /nfs/dbraw/zinc/67/58/15/1036675815.db2.gz ZSTCCRVDHOLJPZ-UHFFFAOYSA-N 0 3 319.452 3.703 20 30 DHEDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C#N)cc2Cl)c1 ZINC000784354315 1036723577 /nfs/dbraw/zinc/72/35/77/1036723577.db2.gz VINMQWXONGDVOK-LLVKDONJSA-N 0 3 316.788 3.777 20 30 DHEDHN COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000487822021 1036739141 /nfs/dbraw/zinc/73/91/41/1036739141.db2.gz PBZNGDGNEACNSK-AWEZNQCLSA-N 0 3 310.397 3.768 20 30 DHEDHN N#Cc1c(N)sc2c1CCN(CCCCc1ccccc1)C2 ZINC001198414487 1037016881 /nfs/dbraw/zinc/01/68/81/1037016881.db2.gz TXBGDEJACWZDIV-UHFFFAOYSA-N 0 3 311.454 3.583 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000911883479 1037230357 /nfs/dbraw/zinc/23/03/57/1037230357.db2.gz QJQDLXZILYFPBO-GFCCVEGCSA-N 0 3 300.374 3.623 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000912237152 1037319431 /nfs/dbraw/zinc/31/94/31/1037319431.db2.gz VXAATHLZXPTJFV-UKRRQHHQSA-N 0 3 300.402 3.636 20 30 DHEDHN CC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(C)cc1 ZINC000194013879 1037334299 /nfs/dbraw/zinc/33/42/99/1037334299.db2.gz HMCRUTAFGFBRSD-GOSISDBHSA-N 0 3 307.397 3.546 20 30 DHEDHN C#CCCCCNCc1c(C)nn(-c2ccccc2)c1Cl ZINC000150730246 1037396400 /nfs/dbraw/zinc/39/64/00/1037396400.db2.gz ZSQSYQUIXKEVCB-UHFFFAOYSA-N 0 3 301.821 3.727 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000912449182 1037397321 /nfs/dbraw/zinc/39/73/21/1037397321.db2.gz KJZWVKCNAVBJKD-CYBMUJFWSA-N 0 3 301.390 3.573 20 30 DHEDHN COc1cccc(C2(NCc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000150897991 1037522741 /nfs/dbraw/zinc/52/27/41/1037522741.db2.gz LTTGXMVSOXHMOK-OAHLLOKOSA-N 0 3 322.408 3.765 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(C#N)cc2)c([O-])c1 ZINC000915982434 1037632032 /nfs/dbraw/zinc/63/20/32/1037632032.db2.gz ZOUSHISLDYPMHB-KGENOOAVSA-N 0 3 307.397 3.729 20 30 DHEDHN N#Cc1ncccc1NC1=C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001201469778 1037690666 /nfs/dbraw/zinc/69/06/66/1037690666.db2.gz AJVQGMYVKDVRLS-MSOLQXFVSA-N 0 3 316.408 3.686 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCCC2=CCCCCC2)CC1 ZINC000183930877 1037712302 /nfs/dbraw/zinc/71/23/02/1037712302.db2.gz GDZFNZQTTLFHHW-UHFFFAOYSA-N 0 3 319.493 3.607 20 30 DHEDHN CCCCCCCN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001201762670 1037884257 /nfs/dbraw/zinc/88/42/57/1037884257.db2.gz QRJDUDWNSNGUHP-GOSISDBHSA-N 0 3 319.493 3.712 20 30 DHEDHN CCCCCCCCN1CCN(CCOC)c2ncccc2C1 ZINC001201814162 1037901012 /nfs/dbraw/zinc/90/10/12/1037901012.db2.gz MNCCCEYHWNOZBW-UHFFFAOYSA-N 0 3 319.493 3.711 20 30 DHEDHN CCCCCCCCN1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001201814685 1037901132 /nfs/dbraw/zinc/90/11/32/1037901132.db2.gz RSEPTARUCICSOF-KRWDZBQOSA-N 0 3 307.482 3.716 20 30 DHEDHN CCOC(=O)C1(C#N)CCN(CC[C@@H](C)CCC=C(C)C)CC1 ZINC001201981700 1037943204 /nfs/dbraw/zinc/94/32/04/1037943204.db2.gz QUOYCHDANRRGPY-KRWDZBQOSA-N 0 3 320.477 3.928 20 30 DHEDHN C=C(CN[C@H](C)c1cc(C(=O)OC)cs1)c1ccccc1 ZINC000586789356 1037969728 /nfs/dbraw/zinc/96/97/28/1037969728.db2.gz RZTBHKQAKYRHJF-CYBMUJFWSA-N 0 3 301.411 3.899 20 30 DHEDHN C#CCOc1ccccc1CNCc1ccc(N(CC)CC)cc1 ZINC000916837005 1037988942 /nfs/dbraw/zinc/98/89/42/1037988942.db2.gz FMBCYYZUQCHYOA-UHFFFAOYSA-N 0 3 322.452 3.835 20 30 DHEDHN C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000494349907 1038071655 /nfs/dbraw/zinc/07/16/55/1038071655.db2.gz OZYZVEHDZKPTJP-LSDHHAIUSA-N 0 3 313.449 3.961 20 30 DHEDHN CN(C)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000775383268 1038310578 /nfs/dbraw/zinc/31/05/78/1038310578.db2.gz VSRSSZOIWATBBD-LJQANCHMSA-N 0 3 323.415 3.931 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001190458127 1038322699 /nfs/dbraw/zinc/32/26/99/1038322699.db2.gz XEMOKZYTXIFRMB-WDSOQIARSA-N 0 3 301.430 3.641 20 30 DHEDHN N#Cc1cccc(-c2nnc(CN3CC[C@@H](C4CCCC4)C3)o2)c1 ZINC000572472668 1038383413 /nfs/dbraw/zinc/38/34/13/1038383413.db2.gz UOHYUNOMJRUAND-QGZVFWFLSA-N 0 3 322.412 3.620 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1C#N ZINC000775414525 1038393553 /nfs/dbraw/zinc/39/35/53/1038393553.db2.gz NGULXNYPXRANAR-LJQANCHMSA-N 0 3 317.392 3.606 20 30 DHEDHN CCCCCCCCN1CCN(c2cccc(OCC)n2)CC1 ZINC001190884207 1038400552 /nfs/dbraw/zinc/40/05/52/1038400552.db2.gz RWPZWULGVBKBLN-UHFFFAOYSA-N 0 3 319.493 3.963 20 30 DHEDHN N#Cc1cccc(CN2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000590202308 1038603754 /nfs/dbraw/zinc/60/37/54/1038603754.db2.gz DQZKKSXIACZNGZ-SFHVURJKSA-N 0 3 312.800 3.865 20 30 DHEDHN COc1cc(C#N)ccc1C(=O)NCCP(C(C)C)C(C)C ZINC001192280427 1038620061 /nfs/dbraw/zinc/62/00/61/1038620061.db2.gz CDWNLMMUZCXFFZ-UHFFFAOYSA-N 0 3 320.373 3.595 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@H](OC)c1ccc(F)cc1 ZINC001192652722 1038687500 /nfs/dbraw/zinc/68/75/00/1038687500.db2.gz HQEGOJUWSDIRGT-SFHVURJKSA-N 0 3 303.377 3.837 20 30 DHEDHN Cc1cc(C#N)ccc1CN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000590750304 1038697879 /nfs/dbraw/zinc/69/78/79/1038697879.db2.gz YHPIDNXCHKWQQU-GOSISDBHSA-N 0 3 314.816 3.686 20 30 DHEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000598982974 1038977669 /nfs/dbraw/zinc/97/76/69/1038977669.db2.gz VXCAUDBEZYFKDG-GXTWGEPZSA-N 0 3 320.820 3.695 20 30 DHEDHN N#Cc1cnccc1S[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000591827424 1039012701 /nfs/dbraw/zinc/01/27/01/1039012701.db2.gz CSTKQCZISIJFAV-QGZVFWFLSA-N 0 3 309.438 3.710 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000599066286 1039022583 /nfs/dbraw/zinc/02/25/83/1039022583.db2.gz TXENJLFYXRGHAY-UZMCECQYSA-N 0 3 324.346 3.593 20 30 DHEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cc(Cl)ccc1Cl ZINC000599350523 1039128255 /nfs/dbraw/zinc/12/82/55/1039128255.db2.gz SYBQJVFLLGATDV-PWSUYJOCSA-N 0 3 313.228 3.699 20 30 DHEDHN Cc1ccc(CN2CCCN(c3ccccc3)CC2)cc1C#N ZINC000599269396 1039111284 /nfs/dbraw/zinc/11/12/84/1039111284.db2.gz QDOBABRZBYHRJZ-UHFFFAOYSA-N 0 3 305.425 3.579 20 30 DHEDHN Cc1ccc(CN2CCC(Cc3cccnc3)CC2)cc1C#N ZINC000599347454 1039128218 /nfs/dbraw/zinc/12/82/18/1039128218.db2.gz RRGGOQDDGOYOAO-UHFFFAOYSA-N 0 3 305.425 3.716 20 30 DHEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(Cl)c1Cl ZINC000599355582 1039131037 /nfs/dbraw/zinc/13/10/37/1039131037.db2.gz BNPWVGSVYBTNAG-MNOVXSKESA-N 0 3 313.228 3.699 20 30 DHEDHN COc1ccccc1C1(NCCCOc2cccc(C#N)c2)CC1 ZINC000592142708 1039138253 /nfs/dbraw/zinc/13/82/53/1039138253.db2.gz BCQWXTLVQDPRHP-UHFFFAOYSA-N 0 3 322.408 3.615 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)C2CCCCC2)CC1 ZINC000592297501 1039163855 /nfs/dbraw/zinc/16/38/55/1039163855.db2.gz UTMCNVLKGNTORX-SFHVURJKSA-N 0 3 321.509 3.685 20 30 DHEDHN CCN(CCc1ccccc1)Cc1cn2ccccc2c1C#N ZINC000603852298 1039187518 /nfs/dbraw/zinc/18/75/18/1039187518.db2.gz QIASHNZIFUMRBC-UHFFFAOYSA-N 0 3 303.409 3.876 20 30 DHEDHN CCCCc1oc2ccccc2c1CN1CC[C@](O)(CC#N)C1 ZINC000592524217 1039223453 /nfs/dbraw/zinc/22/34/53/1039223453.db2.gz WJFYOPNUBNGVBV-LJQANCHMSA-N 0 3 312.413 3.626 20 30 DHEDHN Cn1cc(CN2CCCC3(CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000599672159 1039251570 /nfs/dbraw/zinc/25/15/70/1039251570.db2.gz BMJLHLWWAIKPGT-UHFFFAOYSA-N 0 3 320.440 3.725 20 30 DHEDHN N#CCc1cccc2c1CCN(CCSc1ccccc1)C2 ZINC000599677719 1039254397 /nfs/dbraw/zinc/25/43/97/1039254397.db2.gz CXVKKZUSOYZYIQ-UHFFFAOYSA-N 0 3 308.450 3.903 20 30 DHEDHN N#CC(C(=O)CCCOc1ccccc1)c1nc2ccccc2[nH]1 ZINC000046441107 1039637654 /nfs/dbraw/zinc/63/76/54/1039637654.db2.gz GZJYUZULKRCSLO-HNNXBMFYSA-N 0 3 319.364 3.598 20 30 DHEDHN C=CCCCN(C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000605846357 1039751339 /nfs/dbraw/zinc/75/13/39/1039751339.db2.gz RLDMHFLHZWKMHO-INIZCTEOSA-N 0 3 323.506 3.739 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000594425526 1039790281 /nfs/dbraw/zinc/79/02/81/1039790281.db2.gz KRUIOMZRQKNMMS-MRXNPFEDSA-N 0 3 321.380 3.936 20 30 DHEDHN CCC(CC)[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594426284 1039790790 /nfs/dbraw/zinc/79/07/90/1039790790.db2.gz DSSMHKHCFUEMBV-ZWKOTPCHSA-N 0 3 315.461 3.691 20 30 DHEDHN CC(C)(C#N)c1ccc(CNCc2ccc3c(c2)COC3)cc1 ZINC000594497838 1039800647 /nfs/dbraw/zinc/80/06/47/1039800647.db2.gz JDOZQPOIWNOSCV-UHFFFAOYSA-N 0 3 306.409 3.808 20 30 DHEDHN CC[C@H](N[C@H]1CCc2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000594514389 1039818836 /nfs/dbraw/zinc/81/88/36/1039818836.db2.gz WFLMQXHKRVGEKD-HKUYNNGSSA-N 0 3 319.408 3.552 20 30 DHEDHN COCc1ccccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594914192 1039923629 /nfs/dbraw/zinc/92/36/29/1039923629.db2.gz FCGWKTLYXXYFDW-UHFFFAOYSA-N 0 3 306.409 3.678 20 30 DHEDHN COCc1csc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000594970141 1039949092 /nfs/dbraw/zinc/94/90/92/1039949092.db2.gz UMDBYSHUFQRPMU-UHFFFAOYSA-N 0 3 300.427 3.791 20 30 DHEDHN CN1Cc2ccccc2[C@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594939942 1039953810 /nfs/dbraw/zinc/95/38/10/1039953810.db2.gz WSGOFLPJHKONSS-HXUWFJFHSA-N 0 3 317.436 3.518 20 30 DHEDHN COc1cc(C)cc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594948623 1039961423 /nfs/dbraw/zinc/96/14/23/1039961423.db2.gz APNQCZGOXWNTIJ-UHFFFAOYSA-N 0 3 306.409 3.849 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)cc1OC(F)F)[C@H]1CCCCO1 ZINC000594042144 1040010319 /nfs/dbraw/zinc/01/03/19/1040010319.db2.gz GWJFLNQYPNMFCU-LSDHHAIUSA-N 0 3 324.371 3.597 20 30 DHEDHN C[C@H](NC[C@@H]1CCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000595104725 1040065861 /nfs/dbraw/zinc/06/58/61/1040065861.db2.gz SMCZWSJHRPTUEP-YJBOKZPZSA-N 0 3 323.415 3.622 20 30 DHEDHN COCc1csc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000595077694 1040070248 /nfs/dbraw/zinc/07/02/48/1040070248.db2.gz PSOXOMNLRGVSLP-NSHDSACASA-N 0 3 304.390 3.756 20 30 DHEDHN C[C@H](CCc1n[nH]c2ccccc21)NCC1(C#N)CCCCC1 ZINC000595090602 1040074990 /nfs/dbraw/zinc/07/49/90/1040074990.db2.gz IUKSSOMDAWSIGS-OAHLLOKOSA-N 0 3 310.445 3.948 20 30 DHEDHN CC(C)[C@H](O)[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000595097556 1040082237 /nfs/dbraw/zinc/08/22/37/1040082237.db2.gz XDWWBRGIZBPMMR-NJYVYQBISA-N 0 3 320.436 3.893 20 30 DHEDHN C=CCN(CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000063300123 1040188972 /nfs/dbraw/zinc/18/89/72/1040188972.db2.gz NXKAWRFYWADPNQ-UHFFFAOYSA-N 0 3 321.380 3.697 20 30 DHEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966583 1040471470 /nfs/dbraw/zinc/47/14/70/1040471470.db2.gz CNGJJRAIUUGMLY-ZBFHGGJFSA-N 0 3 300.402 3.940 20 30 DHEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000597132878 1040658694 /nfs/dbraw/zinc/65/86/94/1040658694.db2.gz MSROCIVYBWUZLL-ROUUACIJSA-N 0 3 310.441 3.631 20 30 DHEDHN N#Cc1cc(F)cc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000601716043 1040738046 /nfs/dbraw/zinc/73/80/46/1040738046.db2.gz TVHATDGCXWYRJH-UHFFFAOYSA-N 0 3 323.371 3.545 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456346944 1040785215 /nfs/dbraw/zinc/78/52/15/1040785215.db2.gz UGVLJCSVDTZKQA-ZWKOTPCHSA-N 0 3 314.473 3.569 20 30 DHEDHN COc1ccc(CN(Cc2cccc(C#N)n2)[C@H](C)C2CC2)cc1 ZINC000602437765 1041034703 /nfs/dbraw/zinc/03/47/03/1041034703.db2.gz XLJLIVYJVCRONA-OAHLLOKOSA-N 0 3 321.424 3.763 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1cnc(C)nc1C ZINC000602445143 1041035501 /nfs/dbraw/zinc/03/55/01/1041035501.db2.gz SVEKDICVMNVUFN-HNNXBMFYSA-N 0 3 308.429 3.938 20 30 DHEDHN COc1cc(Cl)ccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602544924 1041084030 /nfs/dbraw/zinc/08/40/30/1041084030.db2.gz CCIRDBHTPPHPBJ-CYBMUJFWSA-N 0 3 322.836 3.537 20 30 DHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(F)c(Cl)c1 ZINC000602526409 1041085613 /nfs/dbraw/zinc/08/56/13/1041085613.db2.gz KUPKXCLCYJZKBM-GFCCVEGCSA-N 0 3 310.800 3.668 20 30 DHEDHN CC(C)(NC(=O)[C@H](N)CCCCC#N)c1ccc2ccccc2c1 ZINC000602572448 1041103580 /nfs/dbraw/zinc/10/35/80/1041103580.db2.gz ZRSPLCQJPHFMKP-GOSISDBHSA-N 0 3 323.440 3.602 20 30 DHEDHN CCc1ccc(-c2noc([C@@H](C)NC[C@@H](C)CCC#N)n2)cc1 ZINC000602643011 1041130151 /nfs/dbraw/zinc/13/01/51/1041130151.db2.gz KPTKGXWHGWICAJ-UONOGXRCSA-N 0 3 312.417 3.889 20 30 DHEDHN C[C@H](CCC#N)CNCc1cc(F)c(F)cc1Br ZINC000602657537 1041145685 /nfs/dbraw/zinc/14/56/85/1041145685.db2.gz ZSSYZTYXTHNKTR-SECBINFHSA-N 0 3 317.177 3.757 20 30 DHEDHN C[C@H](CC#N)NCCCCOc1ccccc1C(F)(F)F ZINC000602865087 1041268270 /nfs/dbraw/zinc/26/82/70/1041268270.db2.gz WHCFMUWREQUHJX-GFCCVEGCSA-N 0 3 300.324 3.756 20 30 DHEDHN C[C@@H](CC#N)NCCCCOc1ccccc1C(F)(F)F ZINC000602865088 1041271156 /nfs/dbraw/zinc/27/11/56/1041271156.db2.gz WHCFMUWREQUHJX-LBPRGKRZSA-N 0 3 300.324 3.756 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000598598017 1041356655 /nfs/dbraw/zinc/35/66/55/1041356655.db2.gz MERFHBDCMRFTLI-KRWDZBQOSA-N 0 3 318.848 3.730 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000598598472 1041358678 /nfs/dbraw/zinc/35/86/78/1041358678.db2.gz SACXAFHBPBIOGE-GOSISDBHSA-N 0 3 316.420 3.606 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ccccc1)c1ccccn1 ZINC000280786869 334970824 /nfs/dbraw/zinc/97/08/24/334970824.db2.gz IXMBPOJPANUOLX-SXLOBPIMSA-N 0 3 308.425 3.742 20 30 DHEDHN C=C(C)CN1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284299257 335011165 /nfs/dbraw/zinc/01/11/65/335011165.db2.gz YONVVUAVAPYPGV-MRXNPFEDSA-N 0 3 302.462 3.700 20 30 DHEDHN C=CCC[C@@H](NC1CCN(CC(F)(F)F)CC1)c1ccco1 ZINC000285503925 335026595 /nfs/dbraw/zinc/02/65/95/335026595.db2.gz AHIQYFBOFUNQCT-CQSZACIVSA-N 0 3 316.367 3.903 20 30 DHEDHN C=CCC[C@@H](NCCn1cc(Br)cn1)c1ccco1 ZINC000285724539 335025306 /nfs/dbraw/zinc/02/53/06/335025306.db2.gz QJGRFKIOVXGVDD-CYBMUJFWSA-N 0 3 324.222 3.536 20 30 DHEDHN C=C(Cl)COc1ccc([C@H](C)NCC2=CCCOC2)cc1 ZINC000286986380 335038263 /nfs/dbraw/zinc/03/82/63/335038263.db2.gz JIBZLBOOLHRWSN-AWEZNQCLSA-N 0 3 307.821 3.815 20 30 DHEDHN C=C(Cl)COc1ccc([C@@H](C)NCC2=CCCOC2)cc1 ZINC000286986382 335038281 /nfs/dbraw/zinc/03/82/81/335038281.db2.gz JIBZLBOOLHRWSN-CQSZACIVSA-N 0 3 307.821 3.815 20 30 DHEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c(C#N)c1C ZINC000193253955 335044751 /nfs/dbraw/zinc/04/47/51/335044751.db2.gz AZOLFLCSRCXNME-XALPAYFRSA-N 0 3 317.433 3.509 20 30 DHEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000184063134 335055172 /nfs/dbraw/zinc/05/51/72/335055172.db2.gz AAOLXJOPHQERAQ-KBPBESRZSA-N 0 3 319.474 3.520 20 30 DHEDHN C=C[C@H](CO)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000289670772 335062619 /nfs/dbraw/zinc/06/26/19/335062619.db2.gz HEZNFHYCMXPGNX-SWLSCSKDSA-N 0 3 302.443 3.624 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000289483678 335063893 /nfs/dbraw/zinc/06/38/93/335063893.db2.gz BAZLTIVCGPCCAK-IBGZPJMESA-N 0 3 319.452 3.580 20 30 DHEDHN CC1(C)CN(Cc2ccc(-c3ccccc3C#N)cc2)CC[C@@H]1O ZINC000275390192 130311988 /nfs/dbraw/zinc/31/19/88/130311988.db2.gz CLYLIBIUTPTHHK-FQEVSTJZSA-N 0 3 320.436 3.818 20 30 DHEDHN COc1ccc([C@@H](CN(C)C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000284363320 131074779 /nfs/dbraw/zinc/07/47/79/131074779.db2.gz NFFQAUSENFKIET-FOIQADDNSA-N 0 3 323.440 3.520 20 30 DHEDHN CC[C@H](NCc1ccnc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000284438739 131080966 /nfs/dbraw/zinc/08/09/66/131080966.db2.gz SOFHIBSMDWWTBQ-HNNXBMFYSA-N 0 3 317.339 3.796 20 30 DHEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2Cc2ccccc2C#N)C1 ZINC000340213349 131198754 /nfs/dbraw/zinc/19/87/54/131198754.db2.gz WNXFNPOFADSROP-XLNTUCKNSA-N 0 3 312.457 3.710 20 30 DHEDHN Cc1cc(C)cc([C@@H](C)NCCC(=O)Nc2ccccc2C#N)c1 ZINC000298927389 132083239 /nfs/dbraw/zinc/08/32/39/132083239.db2.gz NTZHAPCBJJHUMM-MRXNPFEDSA-N 0 3 321.424 3.855 20 30 DHEDHN CCN(C[C@H](O)c1ccccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000299092954 132088730 /nfs/dbraw/zinc/08/87/30/132088730.db2.gz UNFORIFAEVOHRP-KUHUBIRLSA-N 0 3 312.388 3.814 20 30 DHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc(OC)c(O)c2)cc1 ZINC000290687877 335074521 /nfs/dbraw/zinc/07/45/21/335074521.db2.gz MKCDKKYRZVNFAU-CQSZACIVSA-N 0 3 313.397 3.816 20 30 DHEDHN Cc1nc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1C#N ZINC000488109038 429177146 /nfs/dbraw/zinc/17/71/46/429177146.db2.gz TXMSUENOIUEFOA-YJBOKZPZSA-N 0 3 306.413 3.509 20 30 DHEDHN Cc1ccc(NC[C@H]2CCCN(Cc3ccccc3)C2)nc1C#N ZINC000615697664 435362001 /nfs/dbraw/zinc/36/20/01/435362001.db2.gz XVQWIIJENXDAMZ-GOSISDBHSA-N 0 3 320.440 3.586 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000367919553 331593629 /nfs/dbraw/zinc/59/36/29/331593629.db2.gz ZKOYPPRMNJOMAP-ZDUSSCGKSA-N 0 3 314.820 3.806 20 30 DHEDHN CC(C)(C#N)CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000087608424 331707847 /nfs/dbraw/zinc/70/78/47/331707847.db2.gz SDCPZMIYIBNRGF-UHFFFAOYSA-N 0 3 305.853 3.792 20 30 DHEDHN C=CC[C@H](CC)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558941599 331959967 /nfs/dbraw/zinc/95/99/67/331959967.db2.gz UJCZXJMABLNJQF-JKSUJKDBSA-N 0 3 323.868 3.597 20 30 DHEDHN N#CCC1(CN[C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449301399 332015814 /nfs/dbraw/zinc/01/58/14/332015814.db2.gz RIRPCTJSBOYOKS-ZDUSSCGKSA-N 0 3 323.209 3.859 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000090883852 332053714 /nfs/dbraw/zinc/05/37/14/332053714.db2.gz MVLNZPWZPQXMAO-NSHDSACASA-N 0 3 316.214 3.832 20 30 DHEDHN C=CC[C@H](CC)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000410127116 332090440 /nfs/dbraw/zinc/09/04/40/332090440.db2.gz IXCBSIXQVNJDBF-SFHVURJKSA-N 0 3 300.446 3.757 20 30 DHEDHN COc1ccccc1C[C@@H]1CCCN1Cc1cc(C#N)cs1 ZINC000092660916 332138514 /nfs/dbraw/zinc/13/85/14/332138514.db2.gz QPKUZAJNGIPPEM-INIZCTEOSA-N 0 3 312.438 3.835 20 30 DHEDHN C=CC[C@H](C(=O)NCCN1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000427001296 332165192 /nfs/dbraw/zinc/16/51/92/332165192.db2.gz ISVYKOCWMPZBTF-LMMKCTJWSA-N 0 3 314.473 3.725 20 30 DHEDHN CCC(CC)CN(CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000427024011 332165650 /nfs/dbraw/zinc/16/56/50/332165650.db2.gz QQPHKJYOADUWLK-UHFFFAOYSA-N 0 3 321.490 3.933 20 30 DHEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CN1C1CC1 ZINC000317753310 332171017 /nfs/dbraw/zinc/17/10/17/332171017.db2.gz ORCADJZRBFAAMB-MFKMUULPSA-N 0 3 309.335 3.614 20 30 DHEDHN COc1ccc(OC2CCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000531103952 332263038 /nfs/dbraw/zinc/26/30/38/332263038.db2.gz KSPGNBMKBDDGPM-UHFFFAOYSA-N 0 3 316.445 3.868 20 30 DHEDHN Fc1cccc(CC2(NCC#Cc3ccccc3)CCOCC2)c1 ZINC000292965697 335098636 /nfs/dbraw/zinc/09/86/36/335098636.db2.gz JVXJIDPPEGMYLD-UHFFFAOYSA-N 0 3 323.411 3.559 20 30 DHEDHN COc1cccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000237224058 332324459 /nfs/dbraw/zinc/32/44/59/332324459.db2.gz FVASPRZOPKBVET-UHFFFAOYSA-N 0 3 310.397 3.668 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000185030529 335108120 /nfs/dbraw/zinc/10/81/20/335108120.db2.gz FPTWJPGDWHZBFX-CABCVRRESA-N 0 3 306.475 3.604 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2CC(C)C)CC1 ZINC000150746205 332416994 /nfs/dbraw/zinc/41/69/94/332416994.db2.gz RHUILNLVDXWKSZ-GOSISDBHSA-N 0 3 321.509 3.637 20 30 DHEDHN C=CCCCCN[C@@H](C)c1ncc(Br)cc1F ZINC000427855839 332544150 /nfs/dbraw/zinc/54/41/50/332544150.db2.gz DJQAEGVOONSAJO-JTQLQIEISA-N 0 3 301.203 3.990 20 30 DHEDHN N#CCCCOc1cccc(CN[C@H]2CCc3c2cccc3O)c1 ZINC000105486686 332956761 /nfs/dbraw/zinc/95/67/61/332956761.db2.gz AQCKZLYGHXLFKL-IBGZPJMESA-N 0 3 322.408 3.852 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424994168 335116450 /nfs/dbraw/zinc/11/64/50/335116450.db2.gz HVLUQWKSGIQJAL-HQRMLTQVSA-N 0 3 322.383 3.512 20 30 DHEDHN N#Cc1ccccc1CSCCNCc1cccnc1Cl ZINC000171762010 333053999 /nfs/dbraw/zinc/05/39/99/333053999.db2.gz ZYOALDXXALYEKB-UHFFFAOYSA-N 0 3 317.845 3.630 20 30 DHEDHN CC(C)(C#N)CCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000174847661 333091794 /nfs/dbraw/zinc/09/17/94/333091794.db2.gz GGKHXBXHZDAUGO-UHFFFAOYSA-N 0 3 311.429 3.731 20 30 DHEDHN CC(C#N)C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000462039905 333111798 /nfs/dbraw/zinc/11/17/98/333111798.db2.gz PLJVKWGLMVDGKS-SCLBCKFNSA-N 0 3 304.349 3.798 20 30 DHEDHN CC(C)CCN(CCC#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000176336401 333111949 /nfs/dbraw/zinc/11/19/49/333111949.db2.gz GYEKEPAVNSRWKD-UHFFFAOYSA-N 0 3 316.449 3.542 20 30 DHEDHN COc1cc(F)c([C@@H](C)NCCCC(C)(C)C#N)cc1OC ZINC000183445937 333184943 /nfs/dbraw/zinc/18/49/43/333184943.db2.gz HZMKTIYOZVDUBH-GFCCVEGCSA-N 0 3 308.397 3.823 20 30 DHEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000185768915 333213834 /nfs/dbraw/zinc/21/38/34/333213834.db2.gz KUMOHNRLMWXEAI-DEYYWGMASA-N 0 3 311.429 3.768 20 30 DHEDHN CC[C@@H](NCCCSCC#N)c1nc(C(F)(F)F)cs1 ZINC000185923444 333215902 /nfs/dbraw/zinc/21/59/02/333215902.db2.gz SMARRZMUUTWKSF-SECBINFHSA-N 0 3 323.409 3.849 20 30 DHEDHN CC[C@H](NCCCSCC#N)c1nc(C(F)(F)F)cs1 ZINC000185923423 333216091 /nfs/dbraw/zinc/21/60/91/333216091.db2.gz SMARRZMUUTWKSF-VIFPVBQESA-N 0 3 323.409 3.849 20 30 DHEDHN CC(C)(COCc1ccccc1)NCc1cccc(C#N)c1F ZINC000390074445 333222412 /nfs/dbraw/zinc/22/24/12/333222412.db2.gz QOMOUSKSLMLHKI-UHFFFAOYSA-N 0 3 312.388 3.782 20 30 DHEDHN C=CCCCCN[C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000497247266 333227149 /nfs/dbraw/zinc/22/71/49/333227149.db2.gz SITYVBJKKRTAHM-AWEZNQCLSA-N 0 3 319.449 3.857 20 30 DHEDHN C=CCOc1cccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000531206901 333331169 /nfs/dbraw/zinc/33/11/69/333331169.db2.gz HQVIIDNMGYKLPO-GOSISDBHSA-N 0 3 313.445 3.862 20 30 DHEDHN CC(C)n1cnnc1[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000365203262 333356814 /nfs/dbraw/zinc/35/68/14/333356814.db2.gz MJZUUGBJGKPPJM-INIZCTEOSA-N 0 3 317.481 3.758 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)C1 ZINC000463290189 333370556 /nfs/dbraw/zinc/37/05/56/333370556.db2.gz UXPPGXZRAJBTRB-QCSYZSNVSA-N 0 3 302.393 3.718 20 30 DHEDHN N#Cc1cccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1F ZINC000391946093 335136449 /nfs/dbraw/zinc/13/64/49/335136449.db2.gz WIVAQLZRJVBPMT-KURKYZTESA-N 0 3 316.420 3.603 20 30 DHEDHN COc1cc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)ccc1OC(C)C ZINC000339067747 333507886 /nfs/dbraw/zinc/50/78/86/333507886.db2.gz CLGPBRSFVCRCRL-LZWOXQAQSA-N 0 3 302.418 3.825 20 30 DHEDHN C=CCOCCN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000339070179 333508076 /nfs/dbraw/zinc/50/80/76/333508076.db2.gz XKUCDUBQGSMNNE-ZDUSSCGKSA-N 0 3 302.443 3.972 20 30 DHEDHN COCCSc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000339076044 333508254 /nfs/dbraw/zinc/50/82/54/333508254.db2.gz RJRIFHYVWYDSQH-LZWOXQAQSA-N 0 3 304.459 3.768 20 30 DHEDHN C=C(C)COCCN[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000537961224 333731164 /nfs/dbraw/zinc/73/11/64/333731164.db2.gz BRDWCYPWJMDDTJ-CQSZACIVSA-N 0 3 303.402 3.993 20 30 DHEDHN Cc1ccc([C@H](CNc2nc(C)cc(C)c2C#N)N(C)C)cc1 ZINC000343361204 335159386 /nfs/dbraw/zinc/15/93/86/335159386.db2.gz OAAYUCWIXOICQI-SFHVURJKSA-N 0 3 308.429 3.593 20 30 DHEDHN Cc1ccccc1[C@@H]([C@H](C)Nc1ncc(C#N)cc1F)N(C)C ZINC000413299509 333842414 /nfs/dbraw/zinc/84/24/14/333842414.db2.gz UQIJUDLDSMSXIM-SUMWQHHRSA-N 0 3 312.392 3.504 20 30 DHEDHN C=CC[C@H](C)[C@@H](C)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186637519 335162365 /nfs/dbraw/zinc/16/23/65/335162365.db2.gz BYJCDAFXWWNZDM-IYOUNJFTSA-N 0 3 301.409 3.839 20 30 DHEDHN CC[C@@H](C)CN(C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343446957 335165348 /nfs/dbraw/zinc/16/53/48/335165348.db2.gz HXTHPPXOPLANIR-NEPJUHHUSA-N 0 3 307.825 3.517 20 30 DHEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000414221782 333924134 /nfs/dbraw/zinc/92/41/34/333924134.db2.gz LOXNYJZSUFNTLJ-RQUSPXKASA-N 0 3 310.372 3.660 20 30 DHEDHN C=CCC[C@H](NC[C@H](CO)c1ccc(F)cc1)c1ccco1 ZINC000414287023 333933953 /nfs/dbraw/zinc/93/39/53/333933953.db2.gz JQZVAZKHOYAYHV-WBVHZDCISA-N 0 3 303.377 3.792 20 30 DHEDHN C=CCCN(C)Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000343499596 335169919 /nfs/dbraw/zinc/16/99/19/335169919.db2.gz UKMTXEMWUTXZSJ-UHFFFAOYSA-N 0 3 305.372 3.775 20 30 DHEDHN C=CCOc1cccc(CN2CC3(CCOCC3)[C@H]2C(C)C)c1 ZINC000414531368 334008514 /nfs/dbraw/zinc/00/85/14/334008514.db2.gz RXIZNESZQBBYNS-LJQANCHMSA-N 0 3 315.457 3.888 20 30 DHEDHN COC[C@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccco1 ZINC000271073006 334017847 /nfs/dbraw/zinc/01/78/47/334017847.db2.gz MUROWTOXZLWHDZ-FDYSRKEFSA-N 0 3 324.424 3.961 20 30 DHEDHN CCCOc1c(Cl)cc(CNCCCC#N)cc1OCC ZINC000273102513 334043053 /nfs/dbraw/zinc/04/30/53/334043053.db2.gz VWKKSCJMNUZDFC-UHFFFAOYSA-N 0 3 310.825 3.921 20 30 DHEDHN CC(C)(C#N)Cc1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000279118500 334105829 /nfs/dbraw/zinc/10/58/29/334105829.db2.gz ZKQUILDRFQMVNG-UHFFFAOYSA-N 0 3 324.428 3.815 20 30 DHEDHN Cc1ccnc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1C#N ZINC000343512814 335173297 /nfs/dbraw/zinc/17/32/97/335173297.db2.gz OLULSAKCGUKDCJ-RDJZCZTQSA-N 0 3 306.413 3.509 20 30 DHEDHN CC(C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000280119863 334114519 /nfs/dbraw/zinc/11/45/19/334114519.db2.gz PXEUXTVHWFUZJC-KRWDZBQOSA-N 0 3 323.440 3.573 20 30 DHEDHN N#CCCCCN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280725440 334119472 /nfs/dbraw/zinc/11/94/72/334119472.db2.gz KPPARFMPGJBBBK-ZDUSSCGKSA-N 0 3 320.742 3.676 20 30 DHEDHN N#CCOc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000280775954 334120161 /nfs/dbraw/zinc/12/01/61/334120161.db2.gz GKWQBFHLZMXWIT-IBGZPJMESA-N 0 3 307.397 3.615 20 30 DHEDHN CN(CCCOCc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000281455388 334126445 /nfs/dbraw/zinc/12/64/45/334126445.db2.gz QTJBGMBAWBSNDU-UHFFFAOYSA-N 0 3 324.424 3.628 20 30 DHEDHN CC[C@@](C)(C#N)c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000285316043 334146895 /nfs/dbraw/zinc/14/68/95/334146895.db2.gz KMVXHBZYJHGKGP-IBGZPJMESA-N 0 3 324.428 3.914 20 30 DHEDHN CC(C)CN1CCCC[C@H]1CNc1ncc(C#N)cc1Cl ZINC000439093648 334154161 /nfs/dbraw/zinc/15/41/61/334154161.db2.gz UBSFYCRYIAQYKW-AWEZNQCLSA-N 0 3 306.841 3.529 20 30 DHEDHN Cn1cc(CNCC2(CC#N)CC2)c(-c2cc3ccccc3o2)n1 ZINC000366836277 335179192 /nfs/dbraw/zinc/17/91/92/335179192.db2.gz XLBCDQPRAULFTK-UHFFFAOYSA-N 0 3 320.396 3.617 20 30 DHEDHN N#CCC[C@H](N[C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000287695737 334158231 /nfs/dbraw/zinc/15/82/31/334158231.db2.gz NIQKDVBIVYKCNU-SOUVJXGZSA-N 0 3 312.335 3.731 20 30 DHEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000287743523 334158448 /nfs/dbraw/zinc/15/84/48/334158448.db2.gz YVMGUPSNWWKRPR-BMFZPTHFSA-N 0 3 302.418 3.827 20 30 DHEDHN CCC(CC)CN(CC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000343590165 335180003 /nfs/dbraw/zinc/18/00/03/335180003.db2.gz OBUIFAMYHRTHNY-ZDUSSCGKSA-N 0 3 319.449 3.853 20 30 DHEDHN C=C(C)COc1cc(CNCCc2ccco2)ccc1OC ZINC000340412413 334195440 /nfs/dbraw/zinc/19/54/40/334195440.db2.gz SEDXXNADFZBYNM-UHFFFAOYSA-N 0 3 301.386 3.575 20 30 DHEDHN Cc1c(Cl)cccc1N1CCCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000294025202 334204788 /nfs/dbraw/zinc/20/47/88/334204788.db2.gz HSVSYGHJXNKBCQ-HOTGVXAUSA-N 0 3 317.864 3.853 20 30 DHEDHN C=CCN1CC[C@H](N(C)C[C@H](CC(C)C)c2ccccc2)C1=O ZINC000467524432 334266529 /nfs/dbraw/zinc/26/65/29/334266529.db2.gz YVIJBVVAFNHZQL-OALUTQOASA-N 0 3 314.473 3.535 20 30 DHEDHN CCCOc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000564419977 334292200 /nfs/dbraw/zinc/29/22/00/334292200.db2.gz SEGWDCWZDDKQMJ-UHFFFAOYSA-N 0 3 310.397 3.645 20 30 DHEDHN CC[C@@H](C)[C@H](C)N(Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000535206710 334380062 /nfs/dbraw/zinc/38/00/62/334380062.db2.gz OVDQTMYSBKMTDJ-KGLIPLIRSA-N 0 3 314.429 3.744 20 30 DHEDHN CC[C@@H](C)[C@@H](C)N(Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000535206712 334380067 /nfs/dbraw/zinc/38/00/67/334380067.db2.gz OVDQTMYSBKMTDJ-ZIAGYGMSSA-N 0 3 314.429 3.744 20 30 DHEDHN N#Cc1cccc(C2(NCc3cccc(-n4cccn4)c3)CC2)c1 ZINC000341229761 334420368 /nfs/dbraw/zinc/42/03/68/334420368.db2.gz ZZDAEKAMJFFWOO-UHFFFAOYSA-N 0 3 314.392 3.523 20 30 DHEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(C)cc1 ZINC000342730047 334569581 /nfs/dbraw/zinc/56/95/81/334569581.db2.gz PHRBAHQXPZUVAN-GOSISDBHSA-N 0 3 304.397 3.755 20 30 DHEDHN C=CCC1(NC(=O)Nc2ccc3c(c2)CNCC3)CCCCC1 ZINC000415889072 334631164 /nfs/dbraw/zinc/63/11/64/334631164.db2.gz AYWPSQKTANKRSB-UHFFFAOYSA-N 0 3 313.445 3.733 20 30 DHEDHN Cc1ncc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000417361075 334735304 /nfs/dbraw/zinc/73/53/04/334735304.db2.gz IJLMTYMDEXPXCC-BFUOFWGJSA-N 0 3 306.413 3.693 20 30 DHEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c(C#N)c1C ZINC000331340514 334854827 /nfs/dbraw/zinc/85/48/27/334854827.db2.gz KBRQSHXUWHRWGB-NGOBNIPXSA-N 0 3 317.433 3.509 20 30 DHEDHN CC[C@@H](C)N[C@@H](CNc1c(C#N)cccc1C#N)c1ccco1 ZINC000343272993 334896922 /nfs/dbraw/zinc/89/69/22/334896922.db2.gz QMNRVBFDPNSHBT-CJNGLKHVSA-N 0 3 308.385 3.564 20 30 DHEDHN C=CCOCCCC(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000128658482 334898169 /nfs/dbraw/zinc/89/81/69/334898169.db2.gz JFDIEYBYDYUXIA-UHFFFAOYSA-N 0 3 316.445 3.512 20 30 DHEDHN C=CCC[C@H](C)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000475574965 334910733 /nfs/dbraw/zinc/91/07/33/334910733.db2.gz MZWYCEDMQSHDRJ-AAEUAGOBSA-N 0 3 303.324 3.563 20 30 DHEDHN C=CCSc1ccccc1C(=O)NC[C@@H]1CCCN1CCC ZINC000343632916 335183155 /nfs/dbraw/zinc/18/31/55/335183155.db2.gz DJIQGZZOOMPFFL-HNNXBMFYSA-N 0 3 318.486 3.569 20 30 DHEDHN CC[C@@H](N[C@@H]1COc2ccc(F)cc2C1)c1ccc(C#N)cc1 ZINC000343924291 335202417 /nfs/dbraw/zinc/20/24/17/335202417.db2.gz HLJSRRJHRKVREW-ZWKOTPCHSA-N 0 3 310.372 3.742 20 30 DHEDHN COc1ccc(CNCCCC#N)cc1OCc1ccccc1 ZINC000344328100 335240964 /nfs/dbraw/zinc/24/09/64/335240964.db2.gz QEMLMASNCRGWBH-UHFFFAOYSA-N 0 3 310.397 3.668 20 30 DHEDHN N#CCCn1cc(CNCCC(F)(F)F)c(-c2ccccc2)n1 ZINC000344714770 335274965 /nfs/dbraw/zinc/27/49/65/335274965.db2.gz QIRZBYYWIVQAHE-UHFFFAOYSA-N 0 3 322.334 3.506 20 30 DHEDHN CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000345766894 335349750 /nfs/dbraw/zinc/34/97/50/335349750.db2.gz ZYZRTBYGBZVDRO-OAHLLOKOSA-N 0 3 309.417 3.548 20 30 DHEDHN CC(C)(C#N)CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000345766894 335349752 /nfs/dbraw/zinc/34/97/52/335349752.db2.gz ZYZRTBYGBZVDRO-OAHLLOKOSA-N 0 3 309.417 3.548 20 30 DHEDHN C=CCOc1ccc(CN(C)C[C@H](C)c2nccs2)cc1 ZINC000346277265 335391485 /nfs/dbraw/zinc/39/14/85/335391485.db2.gz RVYGTSONZIYVDW-AWEZNQCLSA-N 0 3 302.443 3.943 20 30 DHEDHN CC(C#N)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000346247432 335394293 /nfs/dbraw/zinc/39/42/93/335394293.db2.gz BHHBRTNTJMTRBS-LLVKDONJSA-N 0 3 316.307 3.533 20 30 DHEDHN COCC[C@@H](Cc1ccco1)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346839446 335445081 /nfs/dbraw/zinc/44/50/81/335445081.db2.gz SYKATQQSVJSYAZ-CJNGLKHVSA-N 0 3 316.376 3.589 20 30 DHEDHN C=CCOCCCN1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000347970832 335538268 /nfs/dbraw/zinc/53/82/68/335538268.db2.gz XCVSUYXATKYUIN-UHFFFAOYSA-N 0 3 303.446 3.739 20 30 DHEDHN C=CCN(CC=C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000114723863 335818223 /nfs/dbraw/zinc/81/82/23/335818223.db2.gz AVMSZHMRAOJIKS-UHFFFAOYSA-N 0 3 313.228 3.996 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1C(C)C)C(C)C ZINC000520418509 335976500 /nfs/dbraw/zinc/97/65/00/335976500.db2.gz DNBFPNHJFKRZPH-ROUUACIJSA-N 0 3 321.509 3.515 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CCCC)CC1 ZINC000520693696 336021193 /nfs/dbraw/zinc/02/11/93/336021193.db2.gz MOOGVFFQNVWMFQ-FUHWJXTLSA-N 0 3 321.509 3.685 20 30 DHEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1coc(C2CCCC2)n1 ZINC000329938407 336097587 /nfs/dbraw/zinc/09/75/87/336097587.db2.gz AHXDCWBYHZPKPS-KGLIPLIRSA-N 0 3 319.449 3.757 20 30 DHEDHN C[C@@H]1CCCCN1CCNC(=O)c1coc(C2CCCC2)n1 ZINC000329953224 336099147 /nfs/dbraw/zinc/09/91/47/336099147.db2.gz JHICCAHCOIRAGP-CYBMUJFWSA-N 0 3 305.422 3.511 20 30 DHEDHN CC[C@@H]1CCCCN1CCNC(=O)c1coc(C2CCCC2)n1 ZINC000329955102 336099504 /nfs/dbraw/zinc/09/95/04/336099504.db2.gz OVUNZSFKDWWYAB-OAHLLOKOSA-N 0 3 319.449 3.901 20 30 DHEDHN C[C@](O)(CNC(=O)[C@@H]1CCCN1C1CCCC1)C1CCCCC1 ZINC000330120058 336115147 /nfs/dbraw/zinc/11/51/47/336115147.db2.gz AYDQHMYZCFTXIX-HKUYNNGSSA-N 0 3 322.493 3.681 20 30 DHEDHN Cc1c(Cl)cccc1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000330218670 336125658 /nfs/dbraw/zinc/12/56/58/336125658.db2.gz JPCCGXLXFLKGLH-KNXALSJPSA-N 0 3 322.836 3.782 20 30 DHEDHN CC[C@H](C(=O)N[C@H](CCCC#N)c1ccccc1)N(CC)CC ZINC000352175573 336199070 /nfs/dbraw/zinc/19/90/70/336199070.db2.gz VZIQPZSWNCVYBB-QZTJIDSGSA-N 0 3 315.461 3.658 20 30 DHEDHN CN(CCOc1ccc(C#N)cc1)Cc1ccc(Cl)cc1 ZINC000042268136 336238167 /nfs/dbraw/zinc/23/81/67/336238167.db2.gz VJPCSQIDYJFWBI-UHFFFAOYSA-N 0 3 300.789 3.722 20 30 DHEDHN CC1(C)CC[C@H](CNCc2nc(C#N)cs2)c2ccccc21 ZINC000352806604 336242539 /nfs/dbraw/zinc/24/25/39/336242539.db2.gz ZSIJPIJZHKFNFT-CYBMUJFWSA-N 0 3 311.454 3.960 20 30 DHEDHN CCCOc1cccc(CCNCc2ccc(C#N)cc2F)c1 ZINC000532568333 336255752 /nfs/dbraw/zinc/25/57/52/336255752.db2.gz MUXOEERZBXWZNA-UHFFFAOYSA-N 0 3 312.388 3.818 20 30 DHEDHN C[C@@H](O)CN(CC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000532608478 336257518 /nfs/dbraw/zinc/25/75/18/336257518.db2.gz UZTPYIZPAGLUQI-OAHLLOKOSA-N 0 3 305.849 3.707 20 30 DHEDHN N#Cc1ccc(NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000301110458 336290448 /nfs/dbraw/zinc/29/04/48/336290448.db2.gz MWNJPQWJJACTGL-MRXNPFEDSA-N 0 3 311.454 3.944 20 30 DHEDHN CN(C)[C@@H](CNc1c(F)cc(C#N)cc1F)c1cccs1 ZINC000301119443 336291030 /nfs/dbraw/zinc/29/10/30/336291030.db2.gz PTAQVTZLUINLLO-ZDUSSCGKSA-N 0 3 307.369 3.613 20 30 DHEDHN CCCCN1CCCC[C@@H]1CNc1snc(Cl)c1C#N ZINC000301251909 336296835 /nfs/dbraw/zinc/29/68/35/336296835.db2.gz SBDJMCBFYAJPFP-LLVKDONJSA-N 0 3 312.870 3.735 20 30 DHEDHN CN(C)[C@H](CNc1c(C#N)cnc2ccccc21)c1cccs1 ZINC000301325325 336300626 /nfs/dbraw/zinc/30/06/26/336300626.db2.gz AGSAFOOWVALZFZ-MRXNPFEDSA-N 0 3 322.437 3.883 20 30 DHEDHN CN(C)[C@H](CNc1ccc2cc(C#N)ccc2n1)c1ccccc1 ZINC000301797177 336330670 /nfs/dbraw/zinc/33/06/70/336330670.db2.gz APTMBDPZAYBSNK-LJQANCHMSA-N 0 3 316.408 3.821 20 30 DHEDHN C=C(C)CN1CCC(Nc2cc(C)c(Br)cn2)CC1 ZINC000301813437 336331818 /nfs/dbraw/zinc/33/18/18/336331818.db2.gz FRGXUDWIXIOYMV-UHFFFAOYSA-N 0 3 324.266 3.605 20 30 DHEDHN CC(=O)c1ccc(C#N)c(N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000302107574 336348879 /nfs/dbraw/zinc/34/88/79/336348879.db2.gz OEAWZJFPZYSZES-ZNMIVQPWSA-N 0 3 313.445 3.539 20 30 DHEDHN N#Cc1csc(CN[C@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000352891544 336356953 /nfs/dbraw/zinc/35/69/53/336356953.db2.gz KGAPSDZOTIHZRC-OCCSQVGLSA-N 0 3 301.390 3.580 20 30 DHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCO[C@@H](C)C1 ZINC000352901257 336375349 /nfs/dbraw/zinc/37/53/49/336375349.db2.gz JDEWNLZESCIYAJ-IRXDYDNUSA-N 0 3 305.466 3.657 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000352903398 336375504 /nfs/dbraw/zinc/37/55/04/336375504.db2.gz SNYGHORONLSJRK-TZMCWYRMSA-N 0 3 301.390 3.580 20 30 DHEDHN N#Cc1csc(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000352903396 336375564 /nfs/dbraw/zinc/37/55/64/336375564.db2.gz SNYGHORONLSJRK-JSGCOSHPSA-N 0 3 301.390 3.580 20 30 DHEDHN C=C(C)CN(CC[C@H]1CCCCO1)Cc1cnn(C(C)C)c1 ZINC000352921250 336377097 /nfs/dbraw/zinc/37/70/97/336377097.db2.gz HFCFTGSEIYUNAQ-GOSISDBHSA-N 0 3 305.466 3.801 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000352973918 336380726 /nfs/dbraw/zinc/38/07/26/336380726.db2.gz DSBKWPBZMWHYHF-UHFFFAOYSA-N 0 3 311.385 3.802 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1c[nH]nc1-c1cccs1 ZINC000352989638 336381304 /nfs/dbraw/zinc/38/13/04/336381304.db2.gz MIELQICXDCJCCA-UHFFFAOYSA-N 0 3 313.426 3.962 20 30 DHEDHN N#Cc1cnn2cc(CN3CCC[C@H]3CCC3CCCC3)cnc12 ZINC000582242268 336391326 /nfs/dbraw/zinc/39/13/26/336391326.db2.gz SWOMVCDWRTVTIP-SFHVURJKSA-N 0 3 323.444 3.536 20 30 DHEDHN CO[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)CC(C)C ZINC000418091514 336399093 /nfs/dbraw/zinc/39/90/93/336399093.db2.gz GOLSGXIKFWQPMO-AWEZNQCLSA-N 0 3 314.351 3.728 20 30 DHEDHN C=CCOc1ccccc1CNCC1(c2ccccn2)CCC1 ZINC000353084628 336400150 /nfs/dbraw/zinc/40/01/50/336400150.db2.gz HKIJOTSRZYRVOY-UHFFFAOYSA-N 0 3 308.425 3.858 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccccc2COC)cc1 ZINC000113317664 336400630 /nfs/dbraw/zinc/40/06/30/336400630.db2.gz DDMOHNNIWNXMHB-UHFFFAOYSA-N 0 3 309.409 3.525 20 30 DHEDHN C=C(CN[C@H](C)c1ccccc1-n1ccnn1)c1ccccc1 ZINC000353504583 336421181 /nfs/dbraw/zinc/42/11/81/336421181.db2.gz SALLWGLWWHVBBR-MRXNPFEDSA-N 0 3 304.397 3.631 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc2cc[nH]c2n1 ZINC000353615697 336428973 /nfs/dbraw/zinc/42/89/73/336428973.db2.gz ZLNRRXNQFSGPPY-IBGZPJMESA-N 0 3 316.408 3.992 20 30 DHEDHN C=CCOc1ccc(CN2CCC(OCC3CC3)CC2)cc1 ZINC000354115113 336459988 /nfs/dbraw/zinc/45/99/88/336459988.db2.gz BCCJSHYJUGIHCW-UHFFFAOYSA-N 0 3 301.430 3.642 20 30 DHEDHN C=C(CN[C@H](C)c1ccc(CCNC(C)=O)cc1)c1ccccc1 ZINC000356696289 336558539 /nfs/dbraw/zinc/55/85/39/336558539.db2.gz LQRFZZAQOFCPCG-QGZVFWFLSA-N 0 3 322.452 3.729 20 30 DHEDHN Cc1nc(C)c(CCN[C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000358562310 336634657 /nfs/dbraw/zinc/63/46/57/336634657.db2.gz UHNKHSPBSVRRAQ-JTQLQIEISA-N 0 3 303.406 3.664 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccc(CO)c1 ZINC000360840420 336724069 /nfs/dbraw/zinc/72/40/69/336724069.db2.gz NQEXWKUVDJBSSC-FQEVSTJZSA-N 0 3 306.409 3.608 20 30 DHEDHN C=CCn1c(C)cc(C(=O)CN(CC2CC2)CC2CC2)c1C ZINC000362224475 336788522 /nfs/dbraw/zinc/78/85/22/336788522.db2.gz YQHFDZBEJWOSGD-UHFFFAOYSA-N 0 3 300.446 3.596 20 30 DHEDHN Cc1ccnc([C@H](C)N[C@@H]2CCCN(c3ccccc3C#N)C2)c1 ZINC000367533405 336824460 /nfs/dbraw/zinc/82/44/60/336824460.db2.gz KLIBKRNSHLHSSE-FUHWJXTLSA-N 0 3 320.440 3.581 20 30 DHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CCOCC2)cc1 ZINC000369346419 336863023 /nfs/dbraw/zinc/86/30/23/336863023.db2.gz XTZHYCQYPBBMFV-HXUWFJFHSA-N 0 3 306.409 3.816 20 30 DHEDHN C[C@@H](NC[C@@H]1CCCn2ccnc21)c1ccc(C#N)cc1Cl ZINC000375740495 337018522 /nfs/dbraw/zinc/01/85/22/337018522.db2.gz FZKHBTJWFHYBMW-OCCSQVGLSA-N 0 3 314.820 3.636 20 30 DHEDHN Cn1cc(CN2C[C@H]3CCCCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000378501882 337074443 /nfs/dbraw/zinc/07/44/43/337074443.db2.gz ZVIWCGZAAKKGSW-MJGOQNOKSA-N 0 3 320.440 3.723 20 30 DHEDHN C=CCN1CCC(NC(=O)C[C@H](C)c2ccc(CC)cc2)CC1 ZINC000172349831 337091679 /nfs/dbraw/zinc/09/16/79/337091679.db2.gz CWINLUAZRNACDL-INIZCTEOSA-N 0 3 314.473 3.509 20 30 DHEDHN C[C@@H]1CN(c2cccc(F)c2)CCN1CCCC(C)(C)C#N ZINC000429245129 337142666 /nfs/dbraw/zinc/14/26/66/337142666.db2.gz JDDXRIFNOBCWGD-OAHLLOKOSA-N 0 3 303.425 3.666 20 30 DHEDHN N#CCCCCN1CCN(CCCCC#N)C2(CCCCC2)C1 ZINC000177820976 337157624 /nfs/dbraw/zinc/15/76/24/337157624.db2.gz UCFKHPBIIXZAPJ-UHFFFAOYSA-N 0 3 316.493 3.695 20 30 DHEDHN N#Cc1ccc(OCCCN2CCC[C@H]2c2ccncc2)cc1 ZINC000179120183 337167934 /nfs/dbraw/zinc/16/79/34/337167934.db2.gz NNCPYGZBCPFZMX-IBGZPJMESA-N 0 3 307.397 3.559 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000185586087 337249248 /nfs/dbraw/zinc/24/92/48/337249248.db2.gz LCWYCEVELXKPEI-IRXDYDNUSA-N 0 3 314.473 3.931 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000532908523 337259468 /nfs/dbraw/zinc/25/94/68/337259468.db2.gz WXCOEKNXWTZYTK-FUHWJXTLSA-N 0 3 300.446 3.562 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CCC1 ZINC000188644878 337274815 /nfs/dbraw/zinc/27/48/15/337274815.db2.gz PWESPJIKSOPKEG-INIZCTEOSA-N 0 3 320.502 3.994 20 30 DHEDHN CN(CCOc1ccc(C(F)(F)F)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000583310374 337313517 /nfs/dbraw/zinc/31/35/17/337313517.db2.gz PJPPRWMEZDEUAO-JSGCOSHPSA-N 0 3 312.335 3.708 20 30 DHEDHN C=CCCC(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 ZINC000112247655 337390311 /nfs/dbraw/zinc/39/03/11/337390311.db2.gz CBWUVXFKCVGQJW-UHFFFAOYSA-N 0 3 318.486 3.802 20 30 DHEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000421339230 337527264 /nfs/dbraw/zinc/52/72/64/337527264.db2.gz FVBBMKYWMZOTEM-SGTLLEGYSA-N 0 3 316.351 3.702 20 30 DHEDHN C#CC[C@H](NCc1cnc2c(cnn2C(C)C)c1)c1ccccc1 ZINC000270277136 337639728 /nfs/dbraw/zinc/63/97/28/337639728.db2.gz YRRJHKWCMUGNSH-IBGZPJMESA-N 0 3 318.424 3.866 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)s1)c1ccc(C(=O)OC)cc1 ZINC000421871126 337657271 /nfs/dbraw/zinc/65/72/71/337657271.db2.gz FTUQXJVMROXCGE-MRXNPFEDSA-N 0 3 314.410 3.647 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)CCCN2)c1ccc(C#N)c(F)c1 ZINC000423437580 337719120 /nfs/dbraw/zinc/71/91/20/337719120.db2.gz GHVZJZYAQRZFBC-ZDUSSCGKSA-N 0 3 309.388 3.906 20 30 DHEDHN C=CCn1cc(CN[C@@H]2CCC[C@H](c3ccccc3)CC2)nn1 ZINC000527718693 337758743 /nfs/dbraw/zinc/75/87/43/337758743.db2.gz FKDHYFONDXFTRZ-ZWKOTPCHSA-N 0 3 310.445 3.670 20 30 DHEDHN CC(C)C[C@H](CNCc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000424185620 337801961 /nfs/dbraw/zinc/80/19/61/337801961.db2.gz GYGKCFVAZMHIBW-CQSZACIVSA-N 0 3 322.474 3.713 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000106339087 337816643 /nfs/dbraw/zinc/81/66/43/337816643.db2.gz HWJWYGMZFZUUAC-WMZOPIPTSA-N 0 3 321.509 3.541 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(CCCCC)C(C)C)CC1 ZINC000106340958 337816687 /nfs/dbraw/zinc/81/66/87/337816687.db2.gz CYQGCJLBPUPTGI-UHFFFAOYSA-N 0 3 309.498 3.637 20 30 DHEDHN Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424326971 337821440 /nfs/dbraw/zinc/82/14/40/337821440.db2.gz MHPKHCSZVMYAMY-CORIIIEPSA-N 0 3 312.442 3.856 20 30 DHEDHN CC(C)(C)[C@H]1OCCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000533309340 337840572 /nfs/dbraw/zinc/84/05/72/337840572.db2.gz KPDOEHRRJCPDIQ-WBVHZDCISA-N 0 3 304.409 3.628 20 30 DHEDHN C=CC[C@@H](C)N[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000116907835 337844576 /nfs/dbraw/zinc/84/45/76/337844576.db2.gz XYGAPLUSEKPQJH-DNVCBOLYSA-N 0 3 324.424 3.929 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cccc(C)c1C ZINC000537085081 337887747 /nfs/dbraw/zinc/88/77/47/337887747.db2.gz KSNOQLWUKSVYEH-IAGOWNOFSA-N 0 3 300.446 3.543 20 30 DHEDHN C=CCC[C@H](C)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000428990990 338067985 /nfs/dbraw/zinc/06/79/85/338067985.db2.gz JECISYWHEYNDRY-HZMBPMFUSA-N 0 3 316.214 3.566 20 30 DHEDHN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCCCC#N ZINC000429161286 338072215 /nfs/dbraw/zinc/07/22/15/338072215.db2.gz JIKKPCAJZYZLIG-CYBMUJFWSA-N 0 3 309.816 3.683 20 30 DHEDHN CC1(C)Cc2c(cccc2Br)[C@@H]1NCCCC#N ZINC000429363201 338078528 /nfs/dbraw/zinc/07/85/28/338078528.db2.gz PPTUPZOXFZOELY-AWEZNQCLSA-N 0 3 307.235 3.966 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000429833703 338090862 /nfs/dbraw/zinc/09/08/62/338090862.db2.gz ZRDPBYJXTWUEIK-KRWDZBQOSA-N 0 3 302.462 3.570 20 30 DHEDHN Cc1nn(-c2ccc(Cl)cc2)cc1CNCC1(CC#N)CC1 ZINC000430018792 338093559 /nfs/dbraw/zinc/09/35/59/338093559.db2.gz DICQNFLTUROFLA-UHFFFAOYSA-N 0 3 314.820 3.618 20 30 DHEDHN COc1ccc([C@H](C)NCC2(CC#N)CC2)cc1Br ZINC000430753329 338113741 /nfs/dbraw/zinc/11/37/41/338113741.db2.gz IDJNPKCUDSVEET-NSHDSACASA-N 0 3 323.234 3.802 20 30 DHEDHN CN(C)[C@H]1CCOc2c(Nc3cccc(F)c3C#N)cccc21 ZINC000432930501 338173917 /nfs/dbraw/zinc/17/39/17/338173917.db2.gz YJUCEQSYFRPMJC-KRWDZBQOSA-N 0 3 311.360 3.826 20 30 DHEDHN Cc1cccc(NC(=O)CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433028041 338177201 /nfs/dbraw/zinc/17/72/01/338177201.db2.gz XRLQKJPGOYXGNB-LJQANCHMSA-N 0 3 321.424 3.958 20 30 DHEDHN CN(Cc1ccc(F)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433110606 338182164 /nfs/dbraw/zinc/18/21/64/338182164.db2.gz BHRNWEGARLGNKM-QGZVFWFLSA-N 0 3 310.372 3.557 20 30 DHEDHN Cc1ccc(CN(C)C(=O)C(C#N)CCc2ccccc2)s1 ZINC000433345732 338193546 /nfs/dbraw/zinc/19/35/46/338193546.db2.gz YTEIVKZUNOEEOI-MRXNPFEDSA-N 0 3 312.438 3.788 20 30 DHEDHN CCS[C@@H]1CCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000433371167 338193984 /nfs/dbraw/zinc/19/39/84/338193984.db2.gz CIYOARPDUSVUQU-IXDOHACOSA-N 0 3 316.470 3.549 20 30 DHEDHN Cc1cc(C)cc(CCNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433479145 338195505 /nfs/dbraw/zinc/19/55/05/338195505.db2.gz VFQGJAZDRMJLBQ-FQEVSTJZSA-N 0 3 320.436 3.735 20 30 DHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C(F)(F)F)ccc1F ZINC000435729474 338246504 /nfs/dbraw/zinc/24/65/04/338246504.db2.gz ASWOJMQFSRXPLB-IAQYHMDHSA-N 0 3 317.326 3.915 20 30 DHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1sccc1Br ZINC000435732812 338246815 /nfs/dbraw/zinc/24/68/15/338246815.db2.gz QVJQDCDTXINKIU-ZWNOBZJWSA-N 0 3 316.264 3.581 20 30 DHEDHN CSCC[C@@H](C)N(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437886797 338324233 /nfs/dbraw/zinc/32/42/33/338324233.db2.gz CRAGTLWEFNVFLI-LLVKDONJSA-N 0 3 314.401 3.733 20 30 DHEDHN COc1ccc(CC(C)(C)NCc2ccc(C#N)cc2F)cc1 ZINC000438342747 338340427 /nfs/dbraw/zinc/34/04/27/338340427.db2.gz UVXDEAGPDPYXOR-UHFFFAOYSA-N 0 3 312.388 3.817 20 30 DHEDHN FC(F)(F)Oc1ccc(C#CCN2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000438533255 338347135 /nfs/dbraw/zinc/34/71/35/338347135.db2.gz QISDXNVVFCNZQP-GJZGRUSLSA-N 0 3 309.331 3.669 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000439439692 338369556 /nfs/dbraw/zinc/36/95/56/338369556.db2.gz MUFOSCVAEFHPQL-SJORKVTESA-N 0 3 306.837 3.895 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2n2cccn2)c(Cl)c1 ZINC000439442259 338369713 /nfs/dbraw/zinc/36/97/13/338369713.db2.gz SDUUDKYXTRUMCN-IAGOWNOFSA-N 0 3 314.820 3.682 20 30 DHEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440556807 338390300 /nfs/dbraw/zinc/39/03/00/338390300.db2.gz HMNWXFYEOPVKPD-DYXWJJEUSA-N 0 3 324.468 3.922 20 30 DHEDHN COc1cc(CN[C@H](CC(F)(F)F)C(C)C)ccc1C#N ZINC000440616094 338392527 /nfs/dbraw/zinc/39/25/27/338392527.db2.gz QUBKFEWQYQILSA-CYBMUJFWSA-N 0 3 300.324 3.633 20 30 DHEDHN C=CCOc1ccc(CN[C@H]2CCCC[C@@H]2OC)cc1Cl ZINC000441215846 338405607 /nfs/dbraw/zinc/40/56/07/338405607.db2.gz GBIIFMYUURGKAU-RDJZCZTQSA-N 0 3 309.837 3.952 20 30 DHEDHN CC(C)(C)CC(C)(C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000441486608 338415473 /nfs/dbraw/zinc/41/54/73/338415473.db2.gz DCSLAZOABVYWAD-UHFFFAOYSA-N 0 3 312.417 3.913 20 30 DHEDHN C=CCSCCNCc1cnc(CCc2ccccc2)s1 ZINC000449132190 338595997 /nfs/dbraw/zinc/59/59/97/338595997.db2.gz SNPVMVGSDLZOMG-UHFFFAOYSA-N 0 3 318.511 3.937 20 30 DHEDHN N#Cc1cccc(CN[C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000449764977 338650952 /nfs/dbraw/zinc/65/09/52/338650952.db2.gz FRRZYLTXSSOTSQ-QGZVFWFLSA-N 0 3 312.438 3.613 20 30 DHEDHN C=CCC1(C(=O)Nc2cccc(OCCN(C)C)c2)CCCC1 ZINC000449817527 338654666 /nfs/dbraw/zinc/65/46/66/338654666.db2.gz HKGKTZSPWYTMCK-UHFFFAOYSA-N 0 3 316.445 3.702 20 30 DHEDHN C=CC(C)(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000449876728 338656799 /nfs/dbraw/zinc/65/67/99/338656799.db2.gz MARWCYWCMMTBPV-OAHLLOKOSA-N 0 3 300.446 3.540 20 30 DHEDHN C=CCN(CC=C)[C@H](CNc1ncc(C(F)F)cn1)C(C)C ZINC000450248452 338673254 /nfs/dbraw/zinc/67/32/54/338673254.db2.gz XMFBGBQFIQCRHI-CQSZACIVSA-N 0 3 310.392 3.525 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(Br)ccc1F ZINC000453322886 338824840 /nfs/dbraw/zinc/82/48/40/338824840.db2.gz AFALSDWHBLTPOP-FZQKWOKYSA-N 0 3 314.198 3.582 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000453340570 338827306 /nfs/dbraw/zinc/82/73/06/338827306.db2.gz HOVSMSUVNSZKSX-CFVMTHIKSA-N 0 3 311.372 3.981 20 30 DHEDHN C=CCC[C@H](CO)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000453351051 338829711 /nfs/dbraw/zinc/82/97/11/338829711.db2.gz KMNVZZDQUXYWEI-UKRRQHHQSA-N 0 3 302.443 3.788 20 30 DHEDHN CCO[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)[C@@H]1SC ZINC000459446717 339029688 /nfs/dbraw/zinc/02/96/88/339029688.db2.gz JGLDFTXCXCKZRZ-NXOAAHMSSA-N 0 3 304.459 3.530 20 30 DHEDHN C=CC[C@H](CO)NCc1cc(-c2ccccc2C)ccc1OC ZINC000459473304 339031338 /nfs/dbraw/zinc/03/13/38/339031338.db2.gz BUAQVWICBHTSSU-GOSISDBHSA-N 0 3 311.425 3.697 20 30 DHEDHN CC(C)(CC#N)CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000459661252 339041212 /nfs/dbraw/zinc/04/12/12/339041212.db2.gz BFHOSORSLQRGNW-UHFFFAOYSA-N 0 3 308.809 3.531 20 30 DHEDHN Cc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1Br ZINC000459667074 339041792 /nfs/dbraw/zinc/04/17/92/339041792.db2.gz RTEKKQVZRYCXTJ-GXTWGEPZSA-N 0 3 307.235 3.930 20 30 DHEDHN C=CCSCCNCc1ccc(Br)c(F)c1 ZINC000166085668 339053126 /nfs/dbraw/zinc/05/31/26/339053126.db2.gz DCWMZLXPVPXSLK-UHFFFAOYSA-N 0 3 304.228 3.597 20 30 DHEDHN C=CCOc1ccccc1CNC[C@H](C)Oc1ccc(F)cc1 ZINC000462732702 339085355 /nfs/dbraw/zinc/08/53/55/339085355.db2.gz CWOYWCMRXBJQQE-HNNXBMFYSA-N 0 3 315.388 3.948 20 30 DHEDHN CC(C)O[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1(C)C ZINC000463565537 339121609 /nfs/dbraw/zinc/12/16/09/339121609.db2.gz UUUVKBINXKCDAH-OAUYIBNBSA-N 0 3 304.409 3.940 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000467735058 339245137 /nfs/dbraw/zinc/24/51/37/339245137.db2.gz WJKRCKIQQCCWPT-IBGZPJMESA-N 0 3 314.473 3.736 20 30 DHEDHN COc1ccccc1C[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000468280391 339258694 /nfs/dbraw/zinc/25/86/94/339258694.db2.gz HAGDJABCUCOTDI-SFHVURJKSA-N 0 3 324.399 3.913 20 30 DHEDHN C=CCN1CCC(NC(=O)N2CCCC(CC)(CC)CC2)CC1 ZINC000468328085 339259918 /nfs/dbraw/zinc/25/99/18/339259918.db2.gz UQDJNKPBCNCDPP-UHFFFAOYSA-N 0 3 321.509 3.639 20 30 DHEDHN C[C@@H]1CCC[C@H](CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000470954893 339332835 /nfs/dbraw/zinc/33/28/35/339332835.db2.gz DJIRJXSOGJYJRQ-MDZRGWNJSA-N 0 3 323.440 3.573 20 30 DHEDHN C[C@@H]1CCC[C@@H](CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000470954892 339332900 /nfs/dbraw/zinc/33/29/00/339332900.db2.gz DJIRJXSOGJYJRQ-JTDSTZFVSA-N 0 3 323.440 3.573 20 30 DHEDHN C[C@@H]1CCCC[C@H]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470962803 339333288 /nfs/dbraw/zinc/33/32/88/339333288.db2.gz YAOKJHJTJGYSGN-AYOQOUSVSA-N 0 3 323.440 3.573 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000471588516 339348307 /nfs/dbraw/zinc/34/83/07/339348307.db2.gz CEUFIIPMUJQHME-WDBKCZKBSA-N 0 3 305.219 3.718 20 30 DHEDHN C[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Br ZINC000475132612 339439607 /nfs/dbraw/zinc/43/96/07/339439607.db2.gz ADYJQLRSUBDLMD-XHDPSFHLSA-N 0 3 307.235 3.989 20 30 DHEDHN C=CCCC1(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC1 ZINC000475610660 339457079 /nfs/dbraw/zinc/45/70/79/339457079.db2.gz VTMPHRRIAQUZQC-MRXNPFEDSA-N 0 3 314.473 3.978 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)c(C)c1)c1ccc2c(c1)OCCO2 ZINC000488128604 339771296 /nfs/dbraw/zinc/77/12/96/339771296.db2.gz MTBUQJIIECCSAM-SFHVURJKSA-N 0 3 322.408 3.879 20 30 DHEDHN C=CCOc1ccccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493960150 339937507 /nfs/dbraw/zinc/93/75/07/339937507.db2.gz JZDKIRWWWSXBOT-BHIYHBOVSA-N 0 3 313.441 3.689 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000494934969 339965674 /nfs/dbraw/zinc/96/56/74/339965674.db2.gz YLKOYEJLIITCBY-GJZGRUSLSA-N 0 3 321.424 3.672 20 30 DHEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000496671466 340010299 /nfs/dbraw/zinc/01/02/99/340010299.db2.gz HSRWIWLQAYKSCA-HUUCEWRRSA-N 0 3 323.481 3.551 20 30 DHEDHN COC(=O)Nc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000496700042 340010805 /nfs/dbraw/zinc/01/08/05/340010805.db2.gz JHTZVIVVPQKHDG-GOSISDBHSA-N 0 3 321.380 3.514 20 30 DHEDHN C=C(C)CN(C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000497115153 340020699 /nfs/dbraw/zinc/02/06/99/340020699.db2.gz NMURUCZDPYBXBN-UHFFFAOYSA-N 0 3 309.335 3.899 20 30 DHEDHN COc1cc(C#N)ccc1CN[C@]1(C)CCCc2ccccc21 ZINC000501211891 340076241 /nfs/dbraw/zinc/07/62/41/340076241.db2.gz YHYYWBCRJCOHDP-HXUWFJFHSA-N 0 3 306.409 3.908 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(c2ccccc2)CC1 ZINC000502004592 340092642 /nfs/dbraw/zinc/09/26/42/340092642.db2.gz GADHEDJAJWDDNT-KRWDZBQOSA-N 0 3 314.473 3.679 20 30 DHEDHN C[C@H](c1ccccc1F)N1CCCN(c2ccccc2C#N)CC1 ZINC000502071982 340094722 /nfs/dbraw/zinc/09/47/22/340094722.db2.gz RANWLYPRBMAKBQ-MRXNPFEDSA-N 0 3 323.415 3.971 20 30 DHEDHN Cc1ccccc1[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000507181444 340211544 /nfs/dbraw/zinc/21/15/44/340211544.db2.gz QVBCKPOTPNZWQU-GOSISDBHSA-N 0 3 306.409 3.735 20 30 DHEDHN C=C(C)CN(CC)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508902815 340255644 /nfs/dbraw/zinc/25/56/44/340255644.db2.gz XBECENMHXKTWGJ-FUHWJXTLSA-N 0 3 317.477 3.594 20 30 DHEDHN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(C#N)c(C)c1 ZINC000509429554 340269291 /nfs/dbraw/zinc/26/92/91/340269291.db2.gz IMCFRZIZALOQBM-GOSISDBHSA-N 0 3 310.372 3.792 20 30 DHEDHN C=C(CNCc1ccc(-c2cnn(C)c2)s1)c1ccccc1 ZINC000509472659 340270770 /nfs/dbraw/zinc/27/07/70/340270770.db2.gz SDBGRKCVMWOKFC-UHFFFAOYSA-N 0 3 309.438 3.952 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@H](C)CC ZINC000303447813 340325940 /nfs/dbraw/zinc/32/59/40/340325940.db2.gz HMVHODDEXQSHTQ-CABCVRRESA-N 0 3 308.491 3.629 20 30 DHEDHN COc1ccc(CCCN(C)Cc2cccc(C#N)c2F)cc1 ZINC000512451037 340362400 /nfs/dbraw/zinc/36/24/00/340362400.db2.gz XCENLIIXDJEIKY-UHFFFAOYSA-N 0 3 312.388 3.771 20 30 DHEDHN C[C@@H](O)C[C@H]1CCCCCN1CC#Cc1cccc(Cl)c1 ZINC000512464335 340362773 /nfs/dbraw/zinc/36/27/73/340362773.db2.gz WNHMMWGFYFRHJH-CRAIPNDOSA-N 0 3 305.849 3.707 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000512566078 340367166 /nfs/dbraw/zinc/36/71/66/340367166.db2.gz UUGIGFNNMOVCEU-INIZCTEOSA-N 0 3 324.424 3.758 20 30 DHEDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512610542 340368941 /nfs/dbraw/zinc/36/89/41/340368941.db2.gz CBDSAEGQAVOHKY-PNHOKKKMSA-N 0 3 323.415 3.793 20 30 DHEDHN C[C@@H](NC[C@@H]1CCOc2ccccc21)c1ccc(C#N)cc1F ZINC000512621202 340369357 /nfs/dbraw/zinc/36/93/57/340369357.db2.gz VIYIVRBPVPZZOH-HIFRSBDPSA-N 0 3 310.372 3.914 20 30 DHEDHN C[C@@H](NC[C@H](C)N(C)c1ccccc1)c1ccc(C#N)cc1F ZINC000512631946 340370050 /nfs/dbraw/zinc/37/00/50/340370050.db2.gz VAAASYWIQDLVIM-LSDHHAIUSA-N 0 3 311.404 3.873 20 30 DHEDHN C[C@H](NCCOc1ccccc1F)c1ccc(C#N)cc1F ZINC000512656472 340371441 /nfs/dbraw/zinc/37/14/41/340371441.db2.gz ZWUFDUVBDYEMPI-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000512659592 340371559 /nfs/dbraw/zinc/37/15/59/340371559.db2.gz IJACOLIXSLCKJP-OLZOCXBDSA-N 0 3 316.351 3.955 20 30 DHEDHN C[C@@H](NC[C@H](C)Oc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512662533 340371693 /nfs/dbraw/zinc/37/16/93/340371693.db2.gz YCYVFWMGSUSGRE-QWHCGFSZSA-N 0 3 316.351 3.955 20 30 DHEDHN C[C@H](NCCc1cccc(F)c1F)c1ccc(C#N)cc1F ZINC000512667029 340371977 /nfs/dbraw/zinc/37/19/77/340371977.db2.gz NPKOFORCWPYWNJ-NSHDSACASA-N 0 3 304.315 3.869 20 30 DHEDHN C=CCOc1ccc(CN[C@]2(CCC)CCOC2)cc1Cl ZINC000512869730 340381737 /nfs/dbraw/zinc/38/17/37/340381737.db2.gz XTICPPHFMJAACE-QGZVFWFLSA-N 0 3 309.837 3.954 20 30 DHEDHN C=CCOc1cccc(CN[C@@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000513034715 340389883 /nfs/dbraw/zinc/38/98/83/340389883.db2.gz BVHPEKMYVUCDNX-AWEZNQCLSA-N 0 3 307.397 3.979 20 30 DHEDHN C=CCN(CCCC(C)(C)C#N)Cc1cccc([N+](=O)[O-])c1 ZINC000174835152 340397138 /nfs/dbraw/zinc/39/71/38/340397138.db2.gz GVDGOFCCXAXBOF-UHFFFAOYSA-N 0 3 301.390 3.913 20 30 DHEDHN N#Cc1csc(CNCCc2ccccc2OC(F)F)c1 ZINC000190881977 340547734 /nfs/dbraw/zinc/54/77/34/340547734.db2.gz GKVLORHROLDAIU-UHFFFAOYSA-N 0 3 308.353 3.553 20 30 DHEDHN CC(C)CC[C@@H]1CCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000191352457 340553316 /nfs/dbraw/zinc/55/33/16/340553316.db2.gz XLPDCWBXYHQESI-DZGCQCFKSA-N 0 3 319.474 3.753 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(CC)CC1)C(C)C ZINC000523597242 340629404 /nfs/dbraw/zinc/62/94/04/340629404.db2.gz IARDPBWKLVLOLZ-GOSISDBHSA-N 0 3 321.509 3.517 20 30 DHEDHN C=CCSCCNCc1cc(F)ccc1Br ZINC000126933429 340839788 /nfs/dbraw/zinc/83/97/88/340839788.db2.gz YQNRBWKLDHMBLF-UHFFFAOYSA-N 0 3 304.228 3.597 20 30 DHEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000539294799 340879712 /nfs/dbraw/zinc/87/97/12/340879712.db2.gz IDMQYERCGQNVEQ-NXEZZACHSA-N 0 3 306.208 3.968 20 30 DHEDHN C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000540596006 340937491 /nfs/dbraw/zinc/93/74/91/340937491.db2.gz IFFREXPOLZPENU-SDQPKGBYSA-N 0 3 307.353 3.830 20 30 DHEDHN C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000540596009 340937581 /nfs/dbraw/zinc/93/75/81/340937581.db2.gz IFFREXPOLZPENU-YVZNUBBCSA-N 0 3 307.353 3.830 20 30 DHEDHN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000540706359 340942324 /nfs/dbraw/zinc/94/23/24/340942324.db2.gz OOXCGRHTRWSVFB-GDZNZVCISA-N 0 3 310.372 3.913 20 30 DHEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000540781846 340945662 /nfs/dbraw/zinc/94/56/62/340945662.db2.gz LQKMRLWFZBBIIR-LBPRGKRZSA-N 0 3 318.417 3.507 20 30 DHEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@H]1Oc2ccccc2[C@@H]1C ZINC000541687305 340980206 /nfs/dbraw/zinc/98/02/06/340980206.db2.gz SNFVNYCFFVRPGX-JMERFSKESA-N 0 3 310.372 3.740 20 30 DHEDHN N#CCC1CCN(Cc2cnc(-c3ccsc3)s2)CC1 ZINC000542854275 341023804 /nfs/dbraw/zinc/02/38/04/341023804.db2.gz PKFCKHYQPKAODN-UHFFFAOYSA-N 0 3 303.456 3.997 20 30 DHEDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000130750360 341040784 /nfs/dbraw/zinc/04/07/84/341040784.db2.gz SFCPPFLPZPVNSQ-WEVVVXLNSA-N 0 3 307.353 3.612 20 30 DHEDHN N#CCc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000544120017 341070978 /nfs/dbraw/zinc/07/09/78/341070978.db2.gz KGTYSTLAZLSLLS-UXHICEINSA-N 0 3 306.409 3.620 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](Oc2ccncc2)C1 ZINC000131766952 341111344 /nfs/dbraw/zinc/11/13/44/341111344.db2.gz TZTOZNBRGJANBY-SFHVURJKSA-N 0 3 321.424 3.536 20 30 DHEDHN Cc1cc(CNCc2ccc(C#N)cc2)ccc1Br ZINC000073852591 341122033 /nfs/dbraw/zinc/12/20/33/341122033.db2.gz BUQJWJPAJOUVQR-UHFFFAOYSA-N 0 3 315.214 3.919 20 30 DHEDHN Cc1ccn(-c2ccccc2CN[C@H](C)c2ccc(C#N)cc2)n1 ZINC000133113905 341155342 /nfs/dbraw/zinc/15/53/42/341155342.db2.gz RHUPSGGRWWVODC-MRXNPFEDSA-N 0 3 316.408 3.903 20 30 DHEDHN CC(C)(C#N)CCN1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000549150932 341287313 /nfs/dbraw/zinc/28/73/13/341287313.db2.gz TXHVEKKNVKWSKI-UHFFFAOYSA-N 0 3 315.436 3.592 20 30 DHEDHN C[C@H](NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000549225327 341289124 /nfs/dbraw/zinc/28/91/24/341289124.db2.gz IDHMKJRNJIHKGE-XGUBFFRZSA-N 0 3 304.409 3.942 20 30 DHEDHN COc1cc(C#N)ccc1OCCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000245416484 341292453 /nfs/dbraw/zinc/29/24/53/341292453.db2.gz FESDLPXDCGDQLS-MGPUTAFESA-N 0 3 322.408 3.639 20 30 DHEDHN Cc1sc(NC(=O)CN(C)[C@H]2CCC[C@@H](C)C2)c(C#N)c1C ZINC000246400097 341347416 /nfs/dbraw/zinc/34/74/16/341347416.db2.gz QNFKBZHLTPIKAL-RISCZKNCSA-N 0 3 319.474 3.686 20 30 DHEDHN CC[C@](C)(C#N)c1nc(-c2ccccc2CN2CCCCC2)no1 ZINC000551994821 341358285 /nfs/dbraw/zinc/35/82/85/341358285.db2.gz OUXRIXOWVYUNNI-LJQANCHMSA-N 0 3 324.428 3.914 20 30 DHEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000248908748 341389983 /nfs/dbraw/zinc/38/99/83/341389983.db2.gz XJEGUAMPAZJSAQ-BFHYXJOUSA-N 0 3 315.417 3.997 20 30 DHEDHN C=CCCCCNc1ccccc1CN1CCC(CO)CC1 ZINC000565640000 341533690 /nfs/dbraw/zinc/53/36/90/341533690.db2.gz LSKKECLZLDUFQW-UHFFFAOYSA-N 0 3 302.462 3.659 20 30 DHEDHN C=C(C)CN1CCC(Nc2cccc(C(F)F)c2C#N)CC1 ZINC000566479709 341559411 /nfs/dbraw/zinc/55/94/11/341559411.db2.gz RSBRQWPXHQBFIU-UHFFFAOYSA-N 0 3 305.372 3.948 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(C#N)cc1 ZINC000266517783 341587776 /nfs/dbraw/zinc/58/77/76/341587776.db2.gz ZAGMCBXUVVDFKB-GJZGRUSLSA-N 0 3 305.381 3.872 20 30 DHEDHN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000567501511 341610908 /nfs/dbraw/zinc/61/09/08/341610908.db2.gz XZHPWTVPRSTEBX-CQSZACIVSA-N 0 3 307.397 3.562 20 30 DHEDHN Cc1cccc(C)c1OCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000568144655 341653948 /nfs/dbraw/zinc/65/39/48/341653948.db2.gz UGJDMSAKHYBKEG-LJQANCHMSA-N 0 3 306.409 3.831 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000343688172 341851475 /nfs/dbraw/zinc/85/14/75/341851475.db2.gz KWXSSXHMTSWRNU-CQSZACIVSA-N 0 3 307.397 3.562 20 30 DHEDHN C=CC[C@@H](C(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1ccccc1 ZINC000576826313 341865177 /nfs/dbraw/zinc/86/51/77/341865177.db2.gz NERQGLPXEMCYKB-QFBILLFUSA-N 0 3 314.473 3.535 20 30 DHEDHN N#Cc1csc(CNCCSCc2ccccc2F)c1 ZINC000177681396 341923499 /nfs/dbraw/zinc/92/34/99/341923499.db2.gz PJUGYGCHHGKHIG-UHFFFAOYSA-N 0 3 306.431 3.782 20 30 DHEDHN CC(C)C(=O)Nc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177682745 341923539 /nfs/dbraw/zinc/92/35/39/341923539.db2.gz ADCUPEIEQOUZHJ-UHFFFAOYSA-N 0 3 313.426 3.504 20 30 DHEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000577707617 341930459 /nfs/dbraw/zinc/93/04/59/341930459.db2.gz RFAJWMBERBEEQU-LLVKDONJSA-N 0 3 307.825 3.511 20 30 DHEDHN CC(C)OCCN1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000267049189 519765850 /nfs/dbraw/zinc/76/58/50/519765850.db2.gz NNPYYABVCRSZDX-UHFFFAOYSA-N 0 3 321.852 3.513 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)c(O)c1 ZINC000119257173 521682443 /nfs/dbraw/zinc/68/24/43/521682443.db2.gz RIHORKXDTMLVER-UHFFFAOYSA-N 0 3 310.397 3.685 20 30 DHEDHN CC[C@@H](CN[C@@H](C)c1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000227713241 522551425 /nfs/dbraw/zinc/55/14/25/522551425.db2.gz DLHBQNRSIXIIGA-BBRMVZONSA-N 0 3 317.433 3.512 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2ccccc2F)C1 ZINC000339383158 523528461 /nfs/dbraw/zinc/52/84/61/523528461.db2.gz YNNQGPZRZOLMHN-HNNXBMFYSA-N 0 3 310.372 3.695 20 30 DHEDHN COc1ccc([C@H](NCc2ccc(F)c(C#N)c2)C2CC2)cc1 ZINC000160607635 525374201 /nfs/dbraw/zinc/37/42/01/525374201.db2.gz MKUMOVYXMLUBGQ-LJQANCHMSA-N 0 3 310.372 3.947 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156745926 526044491 /nfs/dbraw/zinc/04/44/91/526044491.db2.gz BFZHHCVIOJXWSV-PBHICJAKSA-N 0 3 314.429 3.673 20 30 DHEDHN N#Cc1cc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)ccc1F ZINC000181191864 526551501 /nfs/dbraw/zinc/55/15/01/526551501.db2.gz SGCWBHPDDYXFRB-UZLBHIALSA-N 0 3 324.399 3.955 20 30 DHEDHN N#Cc1ccc(-c2nnc(CN3CCCC34CCCC4)o2)cc1 ZINC000364867063 526584285 /nfs/dbraw/zinc/58/42/85/526584285.db2.gz XQQMITIHZIXNIN-UHFFFAOYSA-N 0 3 308.385 3.517 20 30 DHEDHN N#Cc1ccc(CN[C@@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000161979524 526624228 /nfs/dbraw/zinc/62/42/28/526624228.db2.gz FRAORVKQXNQIHH-FQEVSTJZSA-N 0 3 323.415 3.624 20 30 DHEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000120889157 535819014 /nfs/dbraw/zinc/81/90/14/535819014.db2.gz HHKNUEXGYAWEKM-GDBMZVCRSA-N 0 3 317.433 3.607 20 30 DHEDHN COCCCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000285258981 536619407 /nfs/dbraw/zinc/61/94/07/536619407.db2.gz XIUDCPQOUHRGDF-MRXNPFEDSA-N 0 3 324.424 3.824 20 30 DHEDHN C=CCCCCC[N@@H+](C)Cc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001573335527 947479456 /nfs/dbraw/zinc/47/94/56/947479456.db2.gz QQSCPNQUAKUUFC-UHFFFAOYSA-N 0 3 319.840 3.698 20 30 DHEDHN C=CCCCCC[N@H+](C)Cc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001573335527 947479464 /nfs/dbraw/zinc/47/94/64/947479464.db2.gz QQSCPNQUAKUUFC-UHFFFAOYSA-N 0 3 319.840 3.698 20 30 DHEDHN C=CCCCCC[N@@H+](C)Cc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001573335527 947479475 /nfs/dbraw/zinc/47/94/75/947479475.db2.gz QQSCPNQUAKUUFC-UHFFFAOYSA-N 0 3 319.840 3.698 20 30 DHEDHN C=CCCCCC[N@H+](C)Cc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001573335527 947479487 /nfs/dbraw/zinc/47/94/87/947479487.db2.gz QQSCPNQUAKUUFC-UHFFFAOYSA-N 0 3 319.840 3.698 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CC1CCCC1 ZINC001167116895 1013190967 /nfs/dbraw/zinc/19/09/67/1013190967.db2.gz XWNHUMJEUIFOKG-GOSISDBHSA-N 0 3 303.446 3.624 20 30 DHEDHN N#Cc1ccccc1CSCCNc1ccnc2ccccc21 ZINC000518885471 1013241519 /nfs/dbraw/zinc/24/15/19/1013241519.db2.gz SDHZOQWMMUCCJZ-UHFFFAOYSA-N 0 3 319.433 3.874 20 30 DHEDHN C=C(C)CNCc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000119620868 1013392620 /nfs/dbraw/zinc/39/26/20/1013392620.db2.gz CFOCMUWCBHIMLF-UHFFFAOYSA-N 0 3 303.837 3.867 20 30 DHEDHN N#Cc1cc(CN(CCO)[C@@H]2CCCc3ccccc32)ccc1F ZINC000120848298 1013528433 /nfs/dbraw/zinc/52/84/33/1013528433.db2.gz VLNJGGRXHBEMGZ-HXUWFJFHSA-N 0 3 324.399 3.569 20 30 DHEDHN C=CCN1CCC(NC(=O)NC[C@@H](CCC)CCCC)CC1 ZINC000441078487 1013660475 /nfs/dbraw/zinc/66/04/75/1013660475.db2.gz IOBVJVSQTLCPOA-INIZCTEOSA-N 0 3 309.498 3.543 20 30 DHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(-n2cccn2)cc1 ZINC000176979569 1013693108 /nfs/dbraw/zinc/69/31/08/1013693108.db2.gz IRBCXPZBKHYRAI-ZDUSSCGKSA-N 0 3 308.410 3.656 20 30 DHEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1coc(C2CCCCC2)n1 ZINC000328759052 1013795597 /nfs/dbraw/zinc/79/55/97/1013795597.db2.gz WMIYMACJHPNIAO-DOMZBBRYSA-N 0 3 317.433 3.510 20 30 DHEDHN CC(C)(C#N)CCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000087608456 1014033571 /nfs/dbraw/zinc/03/35/71/1014033571.db2.gz GGWOMVSZCIZCCL-UHFFFAOYSA-N 0 3 305.853 3.792 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccccc2F)n1 ZINC000155756220 1014161317 /nfs/dbraw/zinc/16/13/17/1014161317.db2.gz IJKZKZZQFWPRMP-SNVBAGLBSA-N 0 3 303.362 3.651 20 30 DHEDHN COc1ccnc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000359384394 1014168729 /nfs/dbraw/zinc/16/87/29/1014168729.db2.gz GJTUGVCAVBXCNQ-UHFFFAOYSA-N 0 3 309.413 3.620 20 30 DHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1 ZINC000049224283 1014278394 /nfs/dbraw/zinc/27/83/94/1014278394.db2.gz ULLKWNJIBXHFLS-WBVHZDCISA-N 0 3 314.429 3.586 20 30 DHEDHN C=CCCCNCc1c(Br)cc(OC)cc1OC ZINC000580991481 1014505626 /nfs/dbraw/zinc/50/56/26/1014505626.db2.gz NEFFQLVAODAZCJ-UHFFFAOYSA-N 0 3 314.223 3.522 20 30 DHEDHN C=CCN(CC=C)C(=O)CN(CCC)[C@H]1CCc2ccccc21 ZINC000521192615 1014660855 /nfs/dbraw/zinc/66/08/55/1014660855.db2.gz GYXYEOCOJVFHFO-IBGZPJMESA-N 0 3 312.457 3.587 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Oc3cccc(F)c3)nc2)C1 ZINC000442781660 1014731716 /nfs/dbraw/zinc/73/17/16/1014731716.db2.gz NESHBVSVWHFIQG-CJNGLKHVSA-N 0 3 311.360 3.795 20 30 DHEDHN CC(C)C[C@H](C)Oc1cc(CN[C@H]2CC[C@@H](C#N)C2)ccn1 ZINC000442783401 1014731055 /nfs/dbraw/zinc/73/10/55/1014731055.db2.gz RQYAXAFLKAFERN-UXLLHSPISA-N 0 3 301.434 3.677 20 30 DHEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1cccc(O)c1 ZINC000442799968 1014737510 /nfs/dbraw/zinc/73/75/10/1014737510.db2.gz JJAZHQZEYWRZPJ-AWEZNQCLSA-N 0 3 310.397 3.856 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc(OC)c2)c1 ZINC000073012398 1014949701 /nfs/dbraw/zinc/94/97/01/1014949701.db2.gz LSRRFEHJKFECJV-QGZVFWFLSA-N 0 3 310.397 3.666 20 30 DHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CCC1 ZINC000933300659 1014975636 /nfs/dbraw/zinc/97/56/36/1014975636.db2.gz BLWBESWCABINEW-ZDUSSCGKSA-N 0 3 304.821 3.511 20 30 DHEDHN C#CCC1(N[C@H](C)C(=O)Nc2cccc(Cl)c2C)CCC1 ZINC000933301558 1014976964 /nfs/dbraw/zinc/97/69/64/1014976964.db2.gz PPUZBTBLLTWRNM-CYBMUJFWSA-N 0 3 304.821 3.511 20 30 DHEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CCC1 ZINC000933302798 1014980423 /nfs/dbraw/zinc/98/04/23/1014980423.db2.gz IDLSIBIRDNSDDY-GFCCVEGCSA-N 0 3 324.346 3.568 20 30 DHEDHN C=CCCCCC[C@@H](C)NCc1cnc(Br)cn1 ZINC000895407451 1015138532 /nfs/dbraw/zinc/13/85/32/1015138532.db2.gz SETJTZGSVRLYIH-GFCCVEGCSA-N 0 3 312.255 3.854 20 30 DHEDHN CC(C)(C)c1cccc(OCCCN2CCC(C#N)CC2)c1 ZINC000114455917 1015187542 /nfs/dbraw/zinc/18/75/42/1015187542.db2.gz LIIZNBINHPACBK-UHFFFAOYSA-N 0 3 300.446 3.989 20 30 DHEDHN CSc1ccc(CNCc2cc(C)c(O)c(C)c2)cc1C#N ZINC000895777749 1015299649 /nfs/dbraw/zinc/29/96/49/1015299649.db2.gz YGCXBUYVBNHYLD-UHFFFAOYSA-N 0 3 312.438 3.892 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000522440937 1015393252 /nfs/dbraw/zinc/39/32/52/1015393252.db2.gz HFGFKRQHCXCSRI-APWZRJJASA-N 0 3 314.473 3.978 20 30 DHEDHN N#CCC[C@@H](C#N)CNCCCO[C@H]1CCCc2ccccc21 ZINC000581880042 1015413568 /nfs/dbraw/zinc/41/35/68/1015413568.db2.gz MZXQXBIGDSUYRH-LPHOPBHVSA-N 0 3 311.429 3.504 20 30 DHEDHN N#Cc1cc(Cl)ccc1CN[C@@H](CCO)C1CCCCC1 ZINC000187450863 1015460300 /nfs/dbraw/zinc/46/03/00/1015460300.db2.gz YMSGYMNVWKJRFS-KRWDZBQOSA-N 0 3 306.837 3.633 20 30 DHEDHN CCN(CCC#N)C(=O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000341592883 1015566271 /nfs/dbraw/zinc/56/62/71/1015566271.db2.gz LHHWIYVPTLWXJJ-QGZVFWFLSA-N 0 3 315.461 3.516 20 30 DHEDHN Cc1ccc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)n1C ZINC000041533376 1015611170 /nfs/dbraw/zinc/61/11/70/1015611170.db2.gz XTDHFRXDAAKZSB-AWEZNQCLSA-N 0 3 321.405 3.947 20 30 DHEDHN CN(CCCCC(=O)OC(C)(C)C)Cc1cc(C#N)cs1 ZINC000933773832 1015662657 /nfs/dbraw/zinc/66/26/57/1015662657.db2.gz ROQLCFVPCUVUFH-UHFFFAOYSA-N 0 3 308.447 3.564 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000341939759 1015853647 /nfs/dbraw/zinc/85/36/47/1015853647.db2.gz FZIRIHSEPQQIRM-LJQANCHMSA-N 0 3 320.436 3.873 20 30 DHEDHN Cc1ccccc1O[C@H]1CCCC[C@H]1NCc1ccc(C#N)o1 ZINC000121706418 1016143414 /nfs/dbraw/zinc/14/34/14/1016143414.db2.gz MPSDEGKTEOWXIM-MJGOQNOKSA-N 0 3 310.397 3.940 20 30 DHEDHN CCOC(=O)C1(C#N)CCN(CC[C@H]2CC=C(C)C2(C)C)CC1 ZINC001207275517 1016311860 /nfs/dbraw/zinc/31/18/60/1016311860.db2.gz KPVKYJRIQPKPDC-MRXNPFEDSA-N 0 3 318.461 3.538 20 30 DHEDHN CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000263703844 1016504827 /nfs/dbraw/zinc/50/48/27/1016504827.db2.gz RTBQLQNWYPADHS-AWEZNQCLSA-N 0 3 310.397 3.903 20 30 DHEDHN C=CCCn1cc(CNCC(CC)(CC)c2ccccc2)nn1 ZINC000657378659 1016537285 /nfs/dbraw/zinc/53/72/85/1016537285.db2.gz RRCIQHBNQIPOLK-UHFFFAOYSA-N 0 3 312.461 3.702 20 30 DHEDHN N#CCCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172118686 1016644506 /nfs/dbraw/zinc/64/45/06/1016644506.db2.gz GUOIWAAJRMTHSA-UHFFFAOYSA-N 0 3 316.386 3.502 20 30 DHEDHN C[C@@H](NCC#CCN[C@H](C)c1ccsc1)c1ccsc1 ZINC000671243946 1016736393 /nfs/dbraw/zinc/73/63/93/1016736393.db2.gz PKVRAXGURLONJC-ZIAGYGMSSA-N 0 3 304.484 3.814 20 30 DHEDHN C=CCCn1cc(CNC2CCC3(CCCCC3)CC2)nn1 ZINC000657445033 1016828943 /nfs/dbraw/zinc/82/89/43/1016828943.db2.gz WLMXTWKGAKIKGY-UHFFFAOYSA-N 0 3 302.466 3.837 20 30 DHEDHN Cc1ccccc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362134736 1032245963 /nfs/dbraw/zinc/24/59/63/1032245963.db2.gz CUZHTFDVUUBVHE-ZDUSSCGKSA-N 0 3 304.271 3.899 20 30 DHEDHN C#CCOc1ccccc1CN[C@@H](CC)c1cccc(OC)c1 ZINC000772986135 1032366362 /nfs/dbraw/zinc/36/63/62/1032366362.db2.gz AFHOGMQOVLWSTI-IBGZPJMESA-N 0 3 309.409 3.948 20 30 DHEDHN CCCCCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC001148483716 1032405371 /nfs/dbraw/zinc/40/53/71/1032405371.db2.gz NPRHLVCRVOBRME-UHFFFAOYSA-N 0 3 302.462 3.983 20 30 DHEDHN Cc1ccc(C(=O)C2CCN(CCCSCC#N)CC2)cc1 ZINC000074982054 1017283767 /nfs/dbraw/zinc/28/37/67/1017283767.db2.gz JZLQQIPKCUGLNY-UHFFFAOYSA-N 0 3 316.470 3.537 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000073012166 1017089827 /nfs/dbraw/zinc/08/98/27/1017089827.db2.gz UFNBGBMMOGUMPG-SFHVURJKSA-N 0 3 305.381 3.529 20 30 DHEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCSC(C)(C)C ZINC001344863245 1011907251 /nfs/dbraw/zinc/90/72/51/1011907251.db2.gz GFFCIMCRQOGBSP-SNVBAGLBSA-N 0 3 313.854 3.562 20 30 DHEDHN N#CC(C(=O)CCCOc1ccc(Cl)cc1)c1ccccn1 ZINC000049457972 1011914610 /nfs/dbraw/zinc/91/46/10/1011914610.db2.gz KFELRVDTYXBAOR-OAHLLOKOSA-N 0 3 314.772 3.770 20 30 DHEDHN C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000049508672 1011956257 /nfs/dbraw/zinc/95/62/57/1011956257.db2.gz WKDAZPQGYSXYQN-SJKOYZFVSA-N 0 3 300.789 3.596 20 30 DHEDHN C=CCn1cc(CN[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)nn1 ZINC000424295825 1011963146 /nfs/dbraw/zinc/96/31/46/1011963146.db2.gz NNVOFFJXZURVDA-ZBFHGGJFSA-N 0 3 316.836 3.543 20 30 DHEDHN COc1ccc(CN(C)Cc2ccc(C#N)c(C)c2)cc1OC ZINC000618590325 1012089363 /nfs/dbraw/zinc/08/93/63/1012089363.db2.gz SGZVMCKMDMWAJD-UHFFFAOYSA-N 0 3 310.397 3.516 20 30 DHEDHN CCOc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)ccc1O ZINC000425365475 1012493307 /nfs/dbraw/zinc/49/33/07/1012493307.db2.gz KVOCKWNZMUFQLT-AWEZNQCLSA-N 0 3 310.397 3.856 20 30 DHEDHN COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1C#N ZINC000425368623 1012499974 /nfs/dbraw/zinc/49/99/74/1012499974.db2.gz XENXRWBAOVFJSL-CQSZACIVSA-N 0 3 305.381 3.632 20 30 DHEDHN N#Cc1ccc2c(c1)CN([C@@H]1CCc3c(F)cccc3C1)CC2 ZINC001171421945 1032635060 /nfs/dbraw/zinc/63/50/60/1032635060.db2.gz NGULRKKMTFVTJJ-GOSISDBHSA-N 0 3 306.384 3.613 20 30 DHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000514967389 1012517390 /nfs/dbraw/zinc/51/73/90/1012517390.db2.gz XRXORQSCYZLCHU-UHFFFAOYSA-N 0 3 314.816 3.860 20 30 DHEDHN N#Cc1ccc(OCCN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000515495872 1012637621 /nfs/dbraw/zinc/63/76/21/1012637621.db2.gz KKVLVVAOOYFANC-LJQANCHMSA-N 0 3 310.372 3.913 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(Cc1ccccc1)CC1CCC1 ZINC000516745791 1012828109 /nfs/dbraw/zinc/82/81/09/1012828109.db2.gz RWONLRJGMTUTRC-UHFFFAOYSA-N 0 3 314.473 3.713 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000517317457 1012964233 /nfs/dbraw/zinc/96/42/33/1012964233.db2.gz HXAZJYDRIKVZQK-INIZCTEOSA-N 0 3 309.498 3.541 20 30 DHEDHN CC[C@@H]1CN(Cc2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 ZINC000517478595 1012994917 /nfs/dbraw/zinc/99/49/17/1012994917.db2.gz NHEHHJAAZXYDLE-XLIONFOSSA-N 0 3 305.425 3.969 20 30 DHEDHN N#Cc1cccc(CNC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000186439085 1017273340 /nfs/dbraw/zinc/27/33/40/1017273340.db2.gz WAEJWIYKFRFUTG-INIZCTEOSA-N 0 3 304.315 3.994 20 30 DHEDHN C=CCNC(=O)CN[C@H](C)c1ccc(-c2ccccc2F)s1 ZINC000180032681 1017352744 /nfs/dbraw/zinc/35/27/44/1017352744.db2.gz DMIOTQBTVVVABW-GFCCVEGCSA-N 0 3 318.417 3.507 20 30 DHEDHN C=CCC[C@@H](NCC(=O)Nc1ccccc1OC)c1ccccc1 ZINC000180038539 1017356826 /nfs/dbraw/zinc/35/68/26/1017356826.db2.gz MOUPNTDXQZHKJJ-QGZVFWFLSA-N 0 3 324.424 3.931 20 30 DHEDHN C=CCC[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000180036050 1017357501 /nfs/dbraw/zinc/35/75/01/1017357501.db2.gz WKKXPEOSOIWGSY-LJQANCHMSA-N 0 3 319.408 3.794 20 30 DHEDHN C=CCSCCN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000180162005 1017386215 /nfs/dbraw/zinc/38/62/15/1017386215.db2.gz WWZFBEGMASQTSA-LLVKDONJSA-N 0 3 309.866 3.797 20 30 DHEDHN C=CCSCCN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000180161986 1017386565 /nfs/dbraw/zinc/38/65/65/1017386565.db2.gz WWZFBEGMASQTSA-NSHDSACASA-N 0 3 309.866 3.797 20 30 DHEDHN C=CC[C@H](C)N[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000180951386 1017521320 /nfs/dbraw/zinc/52/13/20/1017521320.db2.gz SKMNUZKSPRGOFZ-RYUDHWBXSA-N 0 3 304.825 3.844 20 30 DHEDHN C=CC[C@@H]1N(Cc2nccc(OC)c2OC)CCCC1(C)C ZINC000444794875 1017683158 /nfs/dbraw/zinc/68/31/58/1017683158.db2.gz WVGUYSSCEMBMBH-INIZCTEOSA-N 0 3 304.434 3.666 20 30 DHEDHN C=CCCC[C@@H](C)N(CC)CC(=O)Nc1ccccc1OC ZINC000091506789 1017854178 /nfs/dbraw/zinc/85/41/78/1017854178.db2.gz ITDQUEVRIBLCFU-OAHLLOKOSA-N 0 3 304.434 3.700 20 30 DHEDHN CCc1cccc(CON=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000588557399 1017859798 /nfs/dbraw/zinc/85/97/98/1017859798.db2.gz FZVAXTCDNXRWPY-UHFFFAOYSA-N 0 3 324.424 3.636 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](c2ccccc2)CC1 ZINC000524307529 1017954650 /nfs/dbraw/zinc/95/46/50/1017954650.db2.gz IJTWWCLOHYTQCS-LJQANCHMSA-N 0 3 314.473 3.681 20 30 DHEDHN C=CCN1CCC(NC(=O)N(CCC(C)C)CCC(C)C)CC1 ZINC000171736931 1017977181 /nfs/dbraw/zinc/97/71/81/1017977181.db2.gz KZCYFSFJOYYHFO-UHFFFAOYSA-N 0 3 323.525 3.741 20 30 DHEDHN C#CCCN1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000764229392 1018206950 /nfs/dbraw/zinc/20/69/50/1018206950.db2.gz AMXSFQCWVDKCKI-OAHLLOKOSA-N 0 3 311.425 3.670 20 30 DHEDHN O=C1C=C2CN(Cc3csc4ccccc34)CCC2S1 ZINC001140635045 1018208168 /nfs/dbraw/zinc/20/81/68/1018208168.db2.gz BSDAQIOXNKENCJ-CQSZACIVSA-N 0 3 301.436 3.675 20 30 DHEDHN O=C1C=C2CN(Cc3csc4ccccc34)CCC2S1 ZINC001140635044 1018209233 /nfs/dbraw/zinc/20/92/33/1018209233.db2.gz BSDAQIOXNKENCJ-AWEZNQCLSA-N 0 3 301.436 3.675 20 30 DHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000174436452 1018428953 /nfs/dbraw/zinc/42/89/53/1018428953.db2.gz AFCVCKRDUKIJSQ-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN C=C(Cl)CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000161728752 1018491631 /nfs/dbraw/zinc/49/16/31/1018491631.db2.gz HISCZWMJAFXEAT-CYBMUJFWSA-N 0 3 300.627 3.649 20 30 DHEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1ccccc1Br ZINC000675502489 1018513646 /nfs/dbraw/zinc/51/36/46/1018513646.db2.gz RPYDDUVTKHGZGR-BBRMVZONSA-N 0 3 324.262 3.913 20 30 DHEDHN CC(C)(C#N)CCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000131666458 1018753027 /nfs/dbraw/zinc/75/30/27/1018753027.db2.gz ONFDZUTXPCGEKT-OAHLLOKOSA-N 0 3 302.393 3.660 20 30 DHEDHN N#Cc1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000060355819 1018758435 /nfs/dbraw/zinc/75/84/35/1018758435.db2.gz SJNWQLBPUOOTIC-KRWDZBQOSA-N 0 3 309.388 3.774 20 30 DHEDHN Cc1cccc2c1CC[C@H](NC(=N)c1ccc3ccccc3n1)C2 ZINC001171559774 1032781785 /nfs/dbraw/zinc/78/17/85/1032781785.db2.gz MQNMAXFVRMCGAV-KRWDZBQOSA-N 0 3 315.420 3.806 20 30 DHEDHN N#Cc1cc(CN[C@H]2CCN(c3cccc(Cl)c3)C2)cs1 ZINC000921818450 1018901543 /nfs/dbraw/zinc/90/15/43/1018901543.db2.gz UHGXFBNUKUQSIK-AWEZNQCLSA-N 0 3 317.845 3.642 20 30 DHEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611804871 1018930175 /nfs/dbraw/zinc/93/01/75/1018930175.db2.gz GHZJGNGRCQLCJB-YWZLYKJASA-N 0 3 306.409 3.813 20 30 DHEDHN CN(CCn1cccn1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000111279183 1019015709 /nfs/dbraw/zinc/01/57/09/1019015709.db2.gz VQPBFWUJYFUDKZ-UHFFFAOYSA-N 0 3 316.408 3.554 20 30 DHEDHN N#Cc1ccccc1OCCN1CC[C@@H](c2cccc(F)c2)C1 ZINC000584247717 1019049168 /nfs/dbraw/zinc/04/91/68/1019049168.db2.gz GJIUQFTYKBBBSZ-QGZVFWFLSA-N 0 3 310.372 3.566 20 30 DHEDHN CN(C)[C@@H](CNc1nc(Cl)c(C#N)s1)c1ccc(F)cc1 ZINC000278704386 1019066039 /nfs/dbraw/zinc/06/60/39/1019066039.db2.gz NHATYHKXRPXLMQ-NSHDSACASA-N 0 3 324.812 3.522 20 30 DHEDHN C#CCOc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1 ZINC000858239884 1032811434 /nfs/dbraw/zinc/81/14/34/1032811434.db2.gz ZARCCHXUPVWZJL-FQEVSTJZSA-N 0 3 306.409 3.725 20 30 DHEDHN CC[C@H](C(=O)C(C#N)c1nc(C(C)C)cs1)N(CC)CC ZINC000765964818 1019273640 /nfs/dbraw/zinc/27/36/40/1019273640.db2.gz OVNYWXJGYGRXHK-GXTWGEPZSA-N 0 3 307.463 3.563 20 30 DHEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)CCc2ccc(F)cc21 ZINC001171670435 1032822351 /nfs/dbraw/zinc/82/23/51/1032822351.db2.gz GEJXOGCAXBGYOP-GFCCVEGCSA-N 0 3 300.402 3.921 20 30 DHEDHN COc1ccc(NC(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000338624112 1019359348 /nfs/dbraw/zinc/35/93/48/1019359348.db2.gz DVSQCNVQPIGRBS-CYBMUJFWSA-N 0 3 323.377 3.551 20 30 DHEDHN C[C@H]1Cc2cc(CN[C@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000922072666 1019402842 /nfs/dbraw/zinc/40/28/42/1019402842.db2.gz MYJXRZFEQBHWNN-DJJJIMSYSA-N 0 3 304.393 3.659 20 30 DHEDHN Cc1ccncc1[C@H](C)NCc1cccc(OCCCC#N)c1 ZINC000611293081 1019437743 /nfs/dbraw/zinc/43/77/43/1019437743.db2.gz CHCNGVKJSIPNKT-INIZCTEOSA-N 0 3 309.413 3.923 20 30 DHEDHN CC(C)OC(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000611389449 1019463354 /nfs/dbraw/zinc/46/33/54/1019463354.db2.gz WOBTXHNRQRPALG-HNNXBMFYSA-N 0 3 322.408 3.974 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](CCO)c1ccccc1 ZINC000611393519 1019468037 /nfs/dbraw/zinc/46/80/37/1019468037.db2.gz VPSOHLWPPBFGGS-UXHICEINSA-N 0 3 306.409 3.649 20 30 DHEDHN CN1Cc2ccccc2[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611394693 1019472236 /nfs/dbraw/zinc/47/22/36/1019472236.db2.gz WPZQDBQGRBBCAV-RTWAWAEBSA-N 0 3 317.436 3.712 20 30 DHEDHN CC1(C)CN(Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000078516670 1019522936 /nfs/dbraw/zinc/52/29/36/1019522936.db2.gz GYBIFHOGAOKVQC-UHFFFAOYSA-N 0 3 319.452 3.655 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc2[nH]c(=O)oc21 ZINC000922191484 1019821193 /nfs/dbraw/zinc/82/11/93/1019821193.db2.gz WAXIAQCZOQRYBK-INIZCTEOSA-N 0 3 319.364 3.572 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc2[nH]c(=O)oc21 ZINC000922191487 1019821696 /nfs/dbraw/zinc/82/16/96/1019821696.db2.gz WAXIAQCZOQRYBK-MRXNPFEDSA-N 0 3 319.364 3.572 20 30 DHEDHN COc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000092034334 1020070402 /nfs/dbraw/zinc/07/04/02/1020070402.db2.gz KINLPYCFHRCWAG-UHFFFAOYSA-N 0 3 322.408 3.610 20 30 DHEDHN CN(Cc1cc(C#N)cs1)[C@H]1CCCN(c2ccccc2)C1 ZINC000093511397 1020156457 /nfs/dbraw/zinc/15/64/57/1020156457.db2.gz HMKLSIYIHCXWGD-KRWDZBQOSA-N 0 3 311.454 3.721 20 30 DHEDHN Cc1cc(C2(C(=O)C(C#N)c3nc4ccccc4s3)CC2)on1 ZINC000892423449 1020206462 /nfs/dbraw/zinc/20/64/62/1020206462.db2.gz FTJZLJAQUYTXNU-NSHDSACASA-N 0 3 323.377 3.501 20 30 DHEDHN N#Cc1cc(CNC[C@H]2[C@H](c3ccccc3)C2(F)F)cs1 ZINC000922772799 1020261067 /nfs/dbraw/zinc/26/10/67/1020261067.db2.gz QRFXCAXEEUJIRE-GJZGRUSLSA-N 0 3 304.365 3.758 20 30 DHEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000658335279 1020307048 /nfs/dbraw/zinc/30/70/48/1020307048.db2.gz QNNVEMDIPVNWTC-KBXCAEBGSA-N 0 3 315.388 3.602 20 30 DHEDHN N#Cc1ccc2ncc(CN3CCCC4(CCCCC4)C3)n2c1 ZINC000125705145 1020342484 /nfs/dbraw/zinc/34/24/84/1020342484.db2.gz BGFSPLULVFSSFU-UHFFFAOYSA-N 0 3 308.429 3.752 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(OCC)cc2)cc1 ZINC000733322659 1020368248 /nfs/dbraw/zinc/36/82/48/1020368248.db2.gz RLTKHFFKHZINGI-MRXNPFEDSA-N 0 3 309.409 3.948 20 30 DHEDHN C#CCOc1ccc(CNCc2cnc3ccccc3c2)cc1 ZINC000733326159 1020372072 /nfs/dbraw/zinc/37/20/72/1020372072.db2.gz LPZMDDOORHIKCN-UHFFFAOYSA-N 0 3 302.377 3.537 20 30 DHEDHN Cc1ccc(NC(=S)Nc2ccccc2C#N)c(CN(C)C)c1 ZINC000733752299 1020438789 /nfs/dbraw/zinc/43/87/89/1020438789.db2.gz VCODPDUTANVWPG-UHFFFAOYSA-N 0 3 324.453 3.737 20 30 DHEDHN N#Cc1ccc(CN(Cc2cccc3nsnc32)C2CC2)cc1 ZINC000766029012 1020492065 /nfs/dbraw/zinc/49/20/65/1020492065.db2.gz YBHARZWROFDCEN-UHFFFAOYSA-N 0 3 320.421 3.728 20 30 DHEDHN CCOc1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000073977424 1020518401 /nfs/dbraw/zinc/51/84/01/1020518401.db2.gz MZAILYBFHNCWHT-OAHLLOKOSA-N 0 3 320.348 3.645 20 30 DHEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)CCOc1ccccc1C#N ZINC000108720998 1020562112 /nfs/dbraw/zinc/56/21/12/1020562112.db2.gz ACMIAUHKZDSMQH-ZDUSSCGKSA-N 0 3 316.351 3.908 20 30 DHEDHN C[C@H](c1ccc(F)c(F)c1)N(C)CCOc1ccccc1C#N ZINC000108721001 1020562670 /nfs/dbraw/zinc/56/26/70/1020562670.db2.gz ACMIAUHKZDSMQH-CYBMUJFWSA-N 0 3 316.351 3.908 20 30 DHEDHN C#CCOc1ccccc1CNC/C=C/c1ccccc1OC ZINC000734159288 1020569222 /nfs/dbraw/zinc/56/92/22/1020569222.db2.gz KXPJNSDNUWKWKF-DHZHZOJOSA-N 0 3 307.393 3.510 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1ccc(NC(N)=O)cc1 ZINC000921737329 1020593743 /nfs/dbraw/zinc/59/37/43/1020593743.db2.gz DXHDSUXQFFJCEI-CQSZACIVSA-N 0 3 322.412 3.517 20 30 DHEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(SC(C)C)cc2)C1=O ZINC000337188807 1032912662 /nfs/dbraw/zinc/91/26/62/1032912662.db2.gz RAXBEFYMORYTSE-YOEHRIQHSA-N 0 3 318.486 3.625 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCCc3nc(C)ncc32)cc1 ZINC000766046242 1020610719 /nfs/dbraw/zinc/61/07/19/1020610719.db2.gz WVHZYGPTQAJMPN-LIRRHRJNSA-N 0 3 321.424 3.525 20 30 DHEDHN C=CCN1CC[C@H](N[C@H](CC2CCCC2)c2ccccc2)C1=O ZINC000337181270 1032914850 /nfs/dbraw/zinc/91/48/50/1032914850.db2.gz MKOLKAAOMGIVKM-RBUKOAKNSA-N 0 3 312.457 3.685 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@@H](CCCCC)C(C)(C)C)CC1 ZINC000734669180 1020645251 /nfs/dbraw/zinc/64/52/51/1020645251.db2.gz NKVLNLDWPAKGOQ-KRWDZBQOSA-N 0 3 323.525 3.931 20 30 DHEDHN CCCCCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001267544387 1020836043 /nfs/dbraw/zinc/83/60/43/1020836043.db2.gz XRQIFDHYDHNNBL-IEBWSBKVSA-N 0 3 316.489 3.984 20 30 DHEDHN C=CC[C@H](CO)CN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414090914 1020877044 /nfs/dbraw/zinc/87/70/44/1020877044.db2.gz CZGYWXSKAZCPLB-KGLIPLIRSA-N 0 3 302.443 3.645 20 30 DHEDHN CC(C)(CC#N)CN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000414166270 1020953717 /nfs/dbraw/zinc/95/37/17/1020953717.db2.gz NDXLDMKKFSCYOH-QGZVFWFLSA-N 0 3 308.429 3.779 20 30 DHEDHN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1C#N ZINC000926962853 1032960249 /nfs/dbraw/zinc/96/02/49/1032960249.db2.gz AFBYWPPZKJHJTK-AWEZNQCLSA-N 0 3 309.369 3.934 20 30 DHEDHN CC[C@@]1(C)CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743388115 1021278931 /nfs/dbraw/zinc/27/89/31/1021278931.db2.gz NLERBTAXVGNWPI-IBGZPJMESA-N 0 3 308.429 3.891 20 30 DHEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1cccc(C#N)c1 ZINC000743495371 1021311566 /nfs/dbraw/zinc/31/15/66/1021311566.db2.gz DOXUGVORRIDACU-MRXNPFEDSA-N 0 3 318.424 3.759 20 30 DHEDHN CO[C@@]1(C(F)(F)F)CCCN(CCCCC(C)(C)C#N)C1 ZINC000618308060 1021351248 /nfs/dbraw/zinc/35/12/48/1021351248.db2.gz GWMAJMLLJCFVTO-AWEZNQCLSA-N 0 3 306.372 3.750 20 30 DHEDHN Cc1ccn(-c2ccccc2CN[C@@H](C)c2cccc(C#N)c2)n1 ZINC000182026892 1021440973 /nfs/dbraw/zinc/44/09/73/1021440973.db2.gz XCRVGILSRISHCM-INIZCTEOSA-N 0 3 316.408 3.903 20 30 DHEDHN C#CC[C@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1 ZINC000850225318 1021445282 /nfs/dbraw/zinc/44/52/82/1021445282.db2.gz BKLPDJUYLQHHJC-RTWAWAEBSA-N 0 3 321.420 3.709 20 30 DHEDHN N#C[C@H]1CC[C@H](NCc2cc3cc(Br)ccc3o2)C1 ZINC000850249449 1021453600 /nfs/dbraw/zinc/45/36/00/1021453600.db2.gz CJBRDURPJYMUMB-GWCFXTLKSA-N 0 3 319.202 3.977 20 30 DHEDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618741491 1021501468 /nfs/dbraw/zinc/50/14/68/1021501468.db2.gz GRFGEQZLJOYNFN-GOSISDBHSA-N 0 3 307.353 3.552 20 30 DHEDHN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1Cl ZINC000618743173 1021504294 /nfs/dbraw/zinc/50/42/94/1021504294.db2.gz YZSCHRJDKDNBGP-QGZVFWFLSA-N 0 3 312.800 3.997 20 30 DHEDHN C#CCOc1ccc(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1 ZINC000850394737 1021507095 /nfs/dbraw/zinc/50/70/95/1021507095.db2.gz BGRHMJJGKJJNDH-RTWAWAEBSA-N 0 3 323.436 3.546 20 30 DHEDHN COc1ccc2c(c1)[C@H](N[C@@H]1CCc3cc(C#N)ccc31)CC2 ZINC000618804217 1021531656 /nfs/dbraw/zinc/53/16/56/1021531656.db2.gz KJSIFXGCZAYBLR-WOJBJXKFSA-N 0 3 304.393 3.831 20 30 DHEDHN COc1cc(CN[C@@H](C)c2ccc3c(c2)CCCO3)ccc1C#N ZINC000850467974 1021551461 /nfs/dbraw/zinc/55/14/61/1021551461.db2.gz CBAAFXPNMJCTHX-AWEZNQCLSA-N 0 3 322.408 3.743 20 30 DHEDHN C=CC[C@H](CO)CNCc1cc(C(F)(F)F)ccc1Cl ZINC000538124903 1032989122 /nfs/dbraw/zinc/98/91/22/1032989122.db2.gz QYYLIVAJXLBHJM-JTQLQIEISA-N 0 3 307.743 3.633 20 30 DHEDHN C[C@H](C[C@H](C)NCC1(C#N)CCCCC1)NC(=O)OC(C)(C)C ZINC000850552441 1021599731 /nfs/dbraw/zinc/59/97/31/1021599731.db2.gz ZHCNFXNBZGZZTA-LSDHHAIUSA-N 0 3 323.481 3.742 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850739137 1021632571 /nfs/dbraw/zinc/63/25/71/1021632571.db2.gz SOJBIQNNMIVWQB-KGLIPLIRSA-N 0 3 307.397 3.720 20 30 DHEDHN N#CC(C(=O)C1CCC(C2CC2)CC1)c1nc2ccccc2[nH]1 ZINC000850738344 1021632784 /nfs/dbraw/zinc/63/27/84/1021632784.db2.gz JYTYQCLEGQLPJM-YMAMQOFZSA-N 0 3 307.397 3.956 20 30 DHEDHN N#CC(C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccccn1 ZINC000850756068 1021641439 /nfs/dbraw/zinc/64/14/39/1021641439.db2.gz MBFMVHFCXSHWGW-KURKYZTESA-N 0 3 304.393 3.917 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c(Cl)c1 ZINC000615229118 1021715895 /nfs/dbraw/zinc/71/58/95/1021715895.db2.gz LMGRWOSFPOXZRC-HOTGVXAUSA-N 0 3 318.848 3.850 20 30 DHEDHN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000776515111 1021722044 /nfs/dbraw/zinc/72/20/44/1021722044.db2.gz HENOSEBIZFXDMT-KMFMINBZSA-N 0 3 320.392 3.923 20 30 DHEDHN N#Cc1ccc(CNCC2=Cc3ccccc3OC2)cc1Cl ZINC000619748976 1021884529 /nfs/dbraw/zinc/88/45/29/1021884529.db2.gz ZWQINDWGKFVNSP-UHFFFAOYSA-N 0 3 310.784 3.777 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@@H]3OCC[C@@H]32)c([O-])c1 ZINC000155079483 1021886489 /nfs/dbraw/zinc/88/64/89/1021886489.db2.gz RXKGCCLTKJBMJD-UFEWOROSSA-N 0 3 316.445 3.615 20 30 DHEDHN C[C@H](NC[C@H]1CCC2(CCCC2)O1)c1ccc(C#N)cc1F ZINC000619781268 1021896971 /nfs/dbraw/zinc/89/69/71/1021896971.db2.gz HTFPNGQMAQIPBA-DZGCQCFKSA-N 0 3 302.393 3.840 20 30 DHEDHN C#CCOCCN(C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000851810043 1022013016 /nfs/dbraw/zinc/01/30/16/1022013016.db2.gz VNFMCTMHGSBMAC-HNNXBMFYSA-N 0 3 314.454 3.761 20 30 DHEDHN C#CCOCCN(C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000851810044 1022014037 /nfs/dbraw/zinc/01/40/37/1022014037.db2.gz VNFMCTMHGSBMAC-OAHLLOKOSA-N 0 3 314.454 3.761 20 30 DHEDHN C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000416020842 1022077189 /nfs/dbraw/zinc/07/71/89/1022077189.db2.gz YAJXVRZKMQIFEC-UHFFFAOYSA-N 0 3 321.424 3.900 20 30 DHEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCC(C)(C)C#N ZINC000776581821 1022101123 /nfs/dbraw/zinc/10/11/23/1022101123.db2.gz MOZPBDAWXBLONK-GJZGRUSLSA-N 0 3 323.481 3.694 20 30 DHEDHN C=C(CNCc1cnc(-c2ccccc2)nc1)c1ccccc1 ZINC000620756687 1022283488 /nfs/dbraw/zinc/28/34/88/1022283488.db2.gz MTGIADLXXPGHSA-UHFFFAOYSA-N 0 3 301.393 3.947 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccc(C#N)cc1 ZINC000266517785 1022292063 /nfs/dbraw/zinc/29/20/63/1022292063.db2.gz ZAGMCBXUVVDFKB-HUUCEWRRSA-N 0 3 305.381 3.872 20 30 DHEDHN N#Cc1ccc(OCCN2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800581 1022352822 /nfs/dbraw/zinc/35/28/22/1022352822.db2.gz OLXSWCLHZMPJOO-LJQANCHMSA-N 0 3 324.449 3.727 20 30 DHEDHN COc1ccc(CN(C)[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000609822902 1022360987 /nfs/dbraw/zinc/36/09/87/1022360987.db2.gz QJAGGJKWBIGKAF-CQSZACIVSA-N 0 3 310.397 3.768 20 30 DHEDHN C=CCCCN(C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000609916143 1022383502 /nfs/dbraw/zinc/38/35/02/1022383502.db2.gz DHAICNRXHNYNDP-IBGZPJMESA-N 0 3 320.285 3.999 20 30 DHEDHN CC(C)[Si](C#CNC[C@H](O)C(F)(F)F)(C(C)C)C(C)C ZINC001169454990 1022412339 /nfs/dbraw/zinc/41/23/39/1022412339.db2.gz CLJHVBKMLMLOFO-ZDUSSCGKSA-N 0 3 309.448 3.678 20 30 DHEDHN C[C@@H](CNc1ccc(/N=C/N(C)C)c(C#N)c1)c1ccc(O)cc1 ZINC001169549414 1022446819 /nfs/dbraw/zinc/44/68/19/1022446819.db2.gz ZIPMAXPYLSKUJO-KOUDTOEKSA-N 0 3 322.412 3.701 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000237608694 1022458786 /nfs/dbraw/zinc/45/87/86/1022458786.db2.gz LXZXDMHTUKQWPG-YJYMSZOUSA-N 0 3 310.372 3.894 20 30 DHEDHN CN(Cc1ccc(F)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000179646793 1022497478 /nfs/dbraw/zinc/49/74/78/1022497478.db2.gz DZUMFFXABVGETH-UHFFFAOYSA-N 0 3 311.404 3.808 20 30 DHEDHN C=CCN(CCc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000620998432 1022502620 /nfs/dbraw/zinc/50/26/20/1022502620.db2.gz QUKDETNHDCTUAG-SFHVURJKSA-N 0 3 309.409 3.557 20 30 DHEDHN COc1ccc(F)c(CN[C@H](C)Cc2ccc(C#N)cc2)c1F ZINC001172303411 1033073658 /nfs/dbraw/zinc/07/36/58/1033073658.db2.gz XORJVXDOGZIOGC-GFCCVEGCSA-N 0 3 316.351 3.566 20 30 DHEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cn2)C12CCCCC2 ZINC000584756942 1022710537 /nfs/dbraw/zinc/71/05/37/1022710537.db2.gz DVKYPZNFWCIXKS-ZWKOTPCHSA-N 0 3 313.445 3.513 20 30 DHEDHN CC(=O)c1ccc2c(c1)CN([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172309621 1033079969 /nfs/dbraw/zinc/07/99/69/1033079969.db2.gz AJFSCMGOIAXQFB-OAHLLOKOSA-N 0 3 318.420 3.750 20 30 DHEDHN CCCCCCCOc1ccc(CN2CCC(O)CC2)cc1 ZINC000768184729 1022918113 /nfs/dbraw/zinc/91/81/13/1022918113.db2.gz UFJXSJBTFNFTHU-UHFFFAOYSA-N 0 3 305.462 3.993 20 30 DHEDHN Cc1nn(C(C)C)cc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418144780 1022976577 /nfs/dbraw/zinc/97/65/77/1022976577.db2.gz LJJDWKNSJZPMOD-LJQANCHMSA-N 0 3 308.429 3.811 20 30 DHEDHN CC[N@H+](Cc1c([O-])cccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000768514934 1022985909 /nfs/dbraw/zinc/98/59/09/1022985909.db2.gz MMKRBJBOVXBUOU-CQSZACIVSA-N 0 3 310.397 3.856 20 30 DHEDHN CC[N@@H+](Cc1c([O-])cccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000768514934 1022985916 /nfs/dbraw/zinc/98/59/16/1022985916.db2.gz MMKRBJBOVXBUOU-CQSZACIVSA-N 0 3 310.397 3.856 20 30 DHEDHN C#CCOc1ccc(CN2CCC(OCCC(C)C)CC2)cc1 ZINC000768903514 1023051330 /nfs/dbraw/zinc/05/13/30/1023051330.db2.gz NIMSEHAWVGXVCV-UHFFFAOYSA-N 0 3 315.457 3.726 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000876608148 1033103366 /nfs/dbraw/zinc/10/33/66/1033103366.db2.gz ZUROUMARNUQERP-CVEARBPZSA-N 0 3 306.837 3.504 20 30 DHEDHN C[C@@H](NCc1ccccc1Cn1cccn1)c1cccc(C#N)c1 ZINC000181424923 1023089679 /nfs/dbraw/zinc/08/96/79/1023089679.db2.gz FCURPIFJLQJPSJ-MRXNPFEDSA-N 0 3 316.408 3.654 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 ZINC000876617310 1033105412 /nfs/dbraw/zinc/10/54/12/1033105412.db2.gz KCYDIOJDBAWDEJ-JSGCOSHPSA-N 0 3 320.820 3.812 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1cccs1)C(CC)CC ZINC000876614802 1033106603 /nfs/dbraw/zinc/10/66/03/1033106603.db2.gz PFGCOEVBSUXSDF-TZMCWYRMSA-N 0 3 314.882 3.812 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759864327 1023155431 /nfs/dbraw/zinc/15/54/31/1023155431.db2.gz HLMCHJZAXNYPRA-QGZVFWFLSA-N 0 3 323.795 3.836 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000876674838 1033120627 /nfs/dbraw/zinc/12/06/27/1033120627.db2.gz URYBNBPRKIDBCM-OAHLLOKOSA-N 0 3 310.825 3.520 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1C)C(C)(C)C ZINC000876687308 1033122513 /nfs/dbraw/zinc/12/25/13/1033122513.db2.gz NICUNELNVVLWPM-GJZGRUSLSA-N 0 3 308.853 3.668 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C ZINC000876686354 1033122532 /nfs/dbraw/zinc/12/25/32/1033122532.db2.gz VOTFQHVNPMEVII-IAGOWNOFSA-N 0 3 320.864 3.827 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000876701034 1033125724 /nfs/dbraw/zinc/12/57/24/1033125724.db2.gz LWDRHJDCVAHCTL-LBPRGKRZSA-N 0 3 320.742 3.590 20 30 DHEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCC(C)(C)C ZINC000592144804 1023410651 /nfs/dbraw/zinc/41/06/51/1023410651.db2.gz IYEMZEHNSLHFKS-INIZCTEOSA-N 0 3 315.461 3.690 20 30 DHEDHN CCCCCCC[C@H](CC)N1CCC(C#N)(C(=O)OC)CC1 ZINC001172360098 1033139206 /nfs/dbraw/zinc/13/92/06/1033139206.db2.gz JTWPPWDIYWBCBS-INIZCTEOSA-N 0 3 308.466 3.904 20 30 DHEDHN C=CCC[C@H](O)CN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000661208038 1023526151 /nfs/dbraw/zinc/52/61/51/1023526151.db2.gz FFHRVICYULZXMP-AZUAARDMSA-N 0 3 311.425 3.701 20 30 DHEDHN C=CCCCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000748324427 1023599304 /nfs/dbraw/zinc/59/93/04/1023599304.db2.gz WYAJZAAHEUDCEA-GOSISDBHSA-N 0 3 300.446 3.686 20 30 DHEDHN C=C[C@H]1CCCCN1CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000785998688 1023650577 /nfs/dbraw/zinc/65/05/77/1023650577.db2.gz KNKIICRHVRHJHZ-HNNXBMFYSA-N 0 3 313.397 3.521 20 30 DHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(OCC#N)cc1 ZINC000787026683 1023749823 /nfs/dbraw/zinc/74/98/23/1023749823.db2.gz NTDLBVCIWCTOBP-VLIAUNLRSA-N 0 3 317.392 3.799 20 30 DHEDHN C#CCC1(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CCCCC1 ZINC000788234192 1023867133 /nfs/dbraw/zinc/86/71/33/1023867133.db2.gz FNGICEFAGTZMJB-MOPGFXCFSA-N 0 3 324.468 3.522 20 30 DHEDHN CC1(C(=O)OCCCCC#N)CCN(Cc2ccccc2)CC1 ZINC000772721417 1023892845 /nfs/dbraw/zinc/89/28/45/1023892845.db2.gz CPHHMJGRCRTVSV-UHFFFAOYSA-N 0 3 314.429 3.526 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(Cl)nc2)cc1 ZINC000788973044 1023957368 /nfs/dbraw/zinc/95/73/68/1023957368.db2.gz LRQGSZPVKNPTJV-ZDUSSCGKSA-N 0 3 300.789 3.598 20 30 DHEDHN C=CCC[C@@H](NC[C@H]1COC2(CCCCC2)O1)c1ccco1 ZINC000789744646 1024164065 /nfs/dbraw/zinc/16/40/65/1024164065.db2.gz XRQZBVMBIIBONV-JKSUJKDBSA-N 0 3 305.418 3.952 20 30 DHEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)c1cccc(F)c1 ZINC000876988328 1033199773 /nfs/dbraw/zinc/19/97/73/1033199773.db2.gz ZAAXHNQSADKZJK-LLVKDONJSA-N 0 3 303.768 3.639 20 30 DHEDHN C=CCC[C@@H](Cc1ccccc1)NCc1ncnn1C(C)(C)C ZINC000883221178 1024296941 /nfs/dbraw/zinc/29/69/41/1024296941.db2.gz VTJGBYNKSVFODN-KRWDZBQOSA-N 0 3 312.461 3.700 20 30 DHEDHN C=CCC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1Cc2ccccc2O1 ZINC000883226941 1024302006 /nfs/dbraw/zinc/30/20/06/1024302006.db2.gz IIJKQDJUAOYXAQ-XZKMEQPCSA-N 0 3 323.440 3.817 20 30 DHEDHN C=CCC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)[C@H]1Cc2ccccc2O1 ZINC000883226939 1024302586 /nfs/dbraw/zinc/30/25/86/1024302586.db2.gz IIJKQDJUAOYXAQ-NOCIGQNYSA-N 0 3 323.440 3.817 20 30 DHEDHN C=CCC[C@H](NCc1noc2ccc(F)cc21)[C@H]1CCCO1 ZINC000883241762 1024313772 /nfs/dbraw/zinc/31/37/72/1024313772.db2.gz KDFJLRZGHQPABL-WMLDXEAASA-N 0 3 304.365 3.570 20 30 DHEDHN CC[C@H](NCc1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 ZINC000278902352 1024399055 /nfs/dbraw/zinc/39/90/55/1024399055.db2.gz ZMCNUZIBTKVSKK-SFHVURJKSA-N 0 3 322.408 3.960 20 30 DHEDHN C#CCN1CCC(C(=O)Nc2ccc(C(C)(C)CC)cc2)CC1 ZINC000791113774 1024443014 /nfs/dbraw/zinc/44/30/14/1024443014.db2.gz FQORKVIIYVQBBZ-UHFFFAOYSA-N 0 3 312.457 3.658 20 30 DHEDHN C=C[C@H](COC)N[C@@H](CC)c1cc(F)cc(Br)c1 ZINC001320427932 1024453254 /nfs/dbraw/zinc/45/32/54/1024453254.db2.gz NVDZLSWZYNWWCG-KGLIPLIRSA-N 0 3 316.214 3.830 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453355382 1024478802 /nfs/dbraw/zinc/47/88/02/1024478802.db2.gz LKIAMZQDMPJWEJ-ZMYBRWDISA-N 0 3 310.397 3.868 20 30 DHEDHN C#CC[C@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000271585260 1024544789 /nfs/dbraw/zinc/54/47/89/1024544789.db2.gz XLSXWAGPIVTAHI-QAPCUYQASA-N 0 3 307.393 3.873 20 30 DHEDHN OCCC[C@H](NCC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000271650483 1024556145 /nfs/dbraw/zinc/55/61/45/1024556145.db2.gz BBSFHAZIKSBLCZ-IBGZPJMESA-N 0 3 313.828 3.795 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000274261989 1024565727 /nfs/dbraw/zinc/56/57/27/1024565727.db2.gz CHBMIJXONSLFMR-WDYCEAGBSA-N 0 3 312.457 3.732 20 30 DHEDHN N#CC(C(=O)C=Cc1cncc(F)c1)c1nccc2ccccc21 ZINC000792102378 1024625909 /nfs/dbraw/zinc/62/59/09/1024625909.db2.gz IITBZLWBXJVFHN-KEGWNNHHSA-N 0 3 317.323 3.659 20 30 DHEDHN O[C@@H](c1ccccc1)[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000792246997 1024652224 /nfs/dbraw/zinc/65/22/24/1024652224.db2.gz UADJVUXKFZFQNX-SFTDATJTSA-N 0 3 305.421 3.626 20 30 DHEDHN C#CCSCCN[C@H](C)c1ccc(Br)cc1F ZINC000219192534 1024656266 /nfs/dbraw/zinc/65/62/66/1024656266.db2.gz GUNPOXYRSAQUBZ-SNVBAGLBSA-N 0 3 316.239 3.605 20 30 DHEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000264983963 1033223822 /nfs/dbraw/zinc/22/38/22/1033223822.db2.gz VHOSBDVIVCAQFA-MRXNPFEDSA-N 0 3 304.393 3.811 20 30 DHEDHN CC(=O)[C@H]1CCCCN1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395960 1024764403 /nfs/dbraw/zinc/76/44/03/1024764403.db2.gz RHASJAGJBDVJIX-IOJLRTSASA-N 0 3 310.441 3.834 20 30 DHEDHN C[C@H](CCCC#N)N1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001172504763 1033235419 /nfs/dbraw/zinc/23/54/19/1033235419.db2.gz IQSKMNWYUCXYTA-CVEARBPZSA-N 0 3 303.425 3.587 20 30 DHEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000877087167 1033236310 /nfs/dbraw/zinc/23/63/10/1033236310.db2.gz GVVYUGGJMRMNMS-HNNXBMFYSA-N 0 3 319.836 3.578 20 30 DHEDHN COc1cccc([C@@H]2CSCCN2[C@@H](C)CCCC#N)c1 ZINC001172509660 1033237140 /nfs/dbraw/zinc/23/71/40/1033237140.db2.gz NJJIPURCQSMHEU-YOEHRIQHSA-N 0 3 304.459 3.867 20 30 DHEDHN C=CC[C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000116927263 1024876458 /nfs/dbraw/zinc/87/64/58/1024876458.db2.gz RIAWZDGQKSCGHI-LLVKDONJSA-N 0 3 303.387 3.773 20 30 DHEDHN C#CCCOc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000793232010 1024943761 /nfs/dbraw/zinc/94/37/61/1024943761.db2.gz UJPNEDQCAGLYSE-CZUORRHYSA-N 0 3 311.347 3.861 20 30 DHEDHN C[C@H](NC[C@H]1CCCC2(CCC2)O1)c1ccc(C#N)cc1F ZINC000927014346 1033250143 /nfs/dbraw/zinc/25/01/43/1033250143.db2.gz ZTHFNNDOPHMWRH-DZGCQCFKSA-N 0 3 302.393 3.840 20 30 DHEDHN Cc1ccc(CN[C@H](C)CC(C)(C)C#N)c(O[C@@H]2CCOC2)c1 ZINC000925268467 1024975105 /nfs/dbraw/zinc/97/51/05/1024975105.db2.gz MFEYNERFWDZZMZ-NVXWUHKLSA-N 0 3 316.445 3.581 20 30 DHEDHN Oc1ccccc1/C=N/C[C@H](c1cccs1)N1CCCC1 ZINC000005293108 1025030314 /nfs/dbraw/zinc/03/03/14/1025030314.db2.gz PENYXQJXQRHDOT-GYZOOYGHSA-N 0 3 300.427 3.710 20 30 DHEDHN COc1cc(CN(C)Cc2ccccc2C(C)(C)C#N)ccc1O ZINC000135116673 1033262285 /nfs/dbraw/zinc/26/22/85/1033262285.db2.gz RRXFZRXSTYQILJ-UHFFFAOYSA-N 0 3 324.424 3.834 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc(C#N)cc1 ZINC000353649406 1025175377 /nfs/dbraw/zinc/17/53/77/1025175377.db2.gz NYUAKEBUCBKUFT-SFHVURJKSA-N 0 3 305.381 3.679 20 30 DHEDHN CCC(CC)[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877166893 1033263936 /nfs/dbraw/zinc/26/39/36/1033263936.db2.gz HJRZWZSTHIANMV-JKSUJKDBSA-N 0 3 321.852 3.680 20 30 DHEDHN CN(C)c1ncc(CN[C@H](CCCC#N)c2ccccc2)s1 ZINC000353917735 1025290386 /nfs/dbraw/zinc/29/03/86/1025290386.db2.gz VPNFQIHSJWTOSE-MRXNPFEDSA-N 0 3 314.458 3.734 20 30 DHEDHN C[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1ccc(F)cc1Cl ZINC000886111591 1025510790 /nfs/dbraw/zinc/51/07/90/1025510790.db2.gz FEZBVQBRJWDEJS-DGCLKSJQSA-N 0 3 310.800 3.575 20 30 DHEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000127501770 1025541246 /nfs/dbraw/zinc/54/12/46/1025541246.db2.gz JRNPFYMUKIMEKW-JWFWCLOMSA-N 0 3 318.420 3.730 20 30 DHEDHN CCN(CCC1CC1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000355053785 1025594708 /nfs/dbraw/zinc/59/47/08/1025594708.db2.gz BFDSHGPLVNJHRE-GFCCVEGCSA-N 0 3 319.836 3.661 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000886355339 1025603969 /nfs/dbraw/zinc/60/39/69/1025603969.db2.gz GRPKUMDQGGOERB-CYBMUJFWSA-N 0 3 300.789 3.840 20 30 DHEDHN Cc1noc2ncc(CN(Cc3ccc(C#N)cc3)C(C)C)cc12 ZINC000893946361 1025618471 /nfs/dbraw/zinc/61/84/71/1025618471.db2.gz ZWQHYKAPGLIVIA-UHFFFAOYSA-N 0 3 320.396 3.814 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc2oc(=O)oc2c1 ZINC000893952387 1025621081 /nfs/dbraw/zinc/62/10/81/1025621081.db2.gz PPPXPQUITJJOTL-UHFFFAOYSA-N 0 3 322.364 3.670 20 30 DHEDHN C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(OCC#N)cc2)C1 ZINC000805750188 1025657584 /nfs/dbraw/zinc/65/75/84/1025657584.db2.gz XVBFFOCOADQIIN-KXBFYZLASA-N 0 3 307.397 3.567 20 30 DHEDHN C=CCCC[C@H](COc1ccccc1)NCc1cc(C)ncn1 ZINC000886556526 1025703371 /nfs/dbraw/zinc/70/33/71/1025703371.db2.gz DUXMZAONVRTRPO-QGZVFWFLSA-N 0 3 311.429 3.679 20 30 DHEDHN COc1ccc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1C#N ZINC000886615332 1025739235 /nfs/dbraw/zinc/73/92/35/1025739235.db2.gz DMVBXERGZLXYST-HOCLYGCPSA-N 0 3 324.346 3.731 20 30 DHEDHN CC(C)[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000886626939 1025748132 /nfs/dbraw/zinc/74/81/32/1025748132.db2.gz ONGCFMGCEOZRTH-MOPGFXCFSA-N 0 3 308.429 3.656 20 30 DHEDHN CC(C)(C#N)CCCN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000133206198 1025767930 /nfs/dbraw/zinc/76/79/30/1025767930.db2.gz MRUAIVFRXSDKFB-INIZCTEOSA-N 0 3 323.444 3.939 20 30 DHEDHN C=C(C)CN(CC)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000056267414 1025889743 /nfs/dbraw/zinc/88/97/43/1025889743.db2.gz ROYXDFUWMICMSK-UHFFFAOYSA-N 0 3 312.413 3.608 20 30 DHEDHN C=CCC[C@H](NC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1ccco1 ZINC000886771672 1025890187 /nfs/dbraw/zinc/89/01/87/1025890187.db2.gz LTWRNEGXVRRTFD-QLCXLMDBSA-N 0 3 319.445 3.849 20 30 DHEDHN CC(C)CN(Cc1ccnc(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000614217128 1025919978 /nfs/dbraw/zinc/91/99/78/1025919978.db2.gz IHTVHMKXEAIUOK-IBGZPJMESA-N 0 3 320.440 3.884 20 30 DHEDHN C=C(Cl)COc1ccc([C@H](C)NCc2cnn(C)c2C)cc1 ZINC000090887741 1026088354 /nfs/dbraw/zinc/08/83/54/1026088354.db2.gz HTSQCGKNKIHVAC-ZDUSSCGKSA-N 0 3 319.836 3.711 20 30 DHEDHN C=CCN1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808692348 1026350266 /nfs/dbraw/zinc/35/02/66/1026350266.db2.gz PNHPPCKALPIOPQ-ZDUSSCGKSA-N 0 3 308.853 3.655 20 30 DHEDHN C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)[C@H]1C ZINC000419391703 1026350658 /nfs/dbraw/zinc/35/06/58/1026350658.db2.gz KCDXQGBJABBCHQ-PMPSAXMXSA-N 0 3 323.440 3.714 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808718955 1026366546 /nfs/dbraw/zinc/36/65/46/1026366546.db2.gz QXKKBAOYKIREIC-DCGLDWPTSA-N 0 3 309.837 3.986 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000809603556 1026573128 /nfs/dbraw/zinc/57/31/28/1026573128.db2.gz GYYSOJPEQPKYBH-UHFFFAOYSA-N 0 3 319.326 3.899 20 30 DHEDHN C#C[C@@H](C)NCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000809684348 1026591703 /nfs/dbraw/zinc/59/17/03/1026591703.db2.gz ZMPNWNSVTUXGPZ-MRXNPFEDSA-N 0 3 309.409 3.776 20 30 DHEDHN C#C[C@H](NCc1cn(-c2ccc(Cl)cc2)nc1C)C(C)C ZINC000809685485 1026593498 /nfs/dbraw/zinc/59/34/98/1026593498.db2.gz VVLMECJYMLYZKU-KRWDZBQOSA-N 0 3 301.821 3.582 20 30 DHEDHN C#C[C@H](NCc1cn(C)nc1-c1cc2ccccc2o1)C(C)C ZINC000809685269 1026593634 /nfs/dbraw/zinc/59/36/34/1026593634.db2.gz KRAUCTFOYAYURA-INIZCTEOSA-N 0 3 307.397 3.581 20 30 DHEDHN CC[C@H](c1ccncc1)N(C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809765105 1026620695 /nfs/dbraw/zinc/62/06/95/1026620695.db2.gz LBLWEHSEXOVBLA-DNVCBOLYSA-N 0 3 309.413 3.956 20 30 DHEDHN Cc1nc2c(s1)[C@@H](N[C@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000810235713 1026717020 /nfs/dbraw/zinc/71/70/20/1026717020.db2.gz UKJSLYXVJDXKSO-RDJZCZTQSA-N 0 3 309.438 3.978 20 30 DHEDHN COc1ccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618801849 1026793184 /nfs/dbraw/zinc/79/31/84/1026793184.db2.gz CMPVBBHQXYXQRA-FZKQIMNGSA-N 0 3 322.408 3.914 20 30 DHEDHN COc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618801868 1026793236 /nfs/dbraw/zinc/79/32/36/1026793236.db2.gz CMPVBBHQXYXQRA-UGSOOPFHSA-N 0 3 322.408 3.914 20 30 DHEDHN C=CCOc1cccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000414484158 1026902286 /nfs/dbraw/zinc/90/22/86/1026902286.db2.gz JEEABPUJGWAEQI-UYAOXDASSA-N 0 3 309.409 3.559 20 30 DHEDHN CO[C@H](c1ccccc1F)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000421343742 1026957932 /nfs/dbraw/zinc/95/79/32/1026957932.db2.gz QMSULEUIHQREEB-XIKOKIGWSA-N 0 3 316.351 3.702 20 30 DHEDHN C=CCCc1ccccc1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811495546 1027011510 /nfs/dbraw/zinc/01/15/10/1027011510.db2.gz DSLZDCYWKWUYFI-IBGZPJMESA-N 0 3 318.436 3.956 20 30 DHEDHN COc1cc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])ccc1C#N ZINC000811513295 1027028205 /nfs/dbraw/zinc/02/82/05/1027028205.db2.gz FVPVABUWJIGNIH-UHFFFAOYSA-N 0 3 316.788 3.524 20 30 DHEDHN C[C@@H]1C(N=Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000811637075 1027045564 /nfs/dbraw/zinc/04/55/64/1027045564.db2.gz QIMCSEGPKSKVHJ-OAHLLOKOSA-N 0 3 304.397 3.621 20 30 DHEDHN C=CC[C@@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000664334134 1027381907 /nfs/dbraw/zinc/38/19/07/1027381907.db2.gz VPZLCRKKLMWJCW-OAHLLOKOSA-N 0 3 301.434 3.568 20 30 DHEDHN C#C[C@H](N[C@@H]1CCc2c(cccc2OC)C1)c1ccc(F)cc1 ZINC000812792209 1027419439 /nfs/dbraw/zinc/41/94/39/1027419439.db2.gz PSPMVKIJHFNLOS-MJGOQNOKSA-N 0 3 309.384 3.656 20 30 DHEDHN CN(CCCCC#N)Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000363199956 1027557238 /nfs/dbraw/zinc/55/72/38/1027557238.db2.gz BTLJVCLXBLYPHK-UHFFFAOYSA-N 0 3 302.809 3.651 20 30 DHEDHN Cc1ccc(-c2nc(CCNCc3ccc(C#N)o3)cs2)cc1 ZINC000363263913 1027575683 /nfs/dbraw/zinc/57/56/83/1027575683.db2.gz DXGTVNBJKZZKJC-UHFFFAOYSA-N 0 3 323.421 3.916 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(-c2cncnc2)cc1 ZINC000363358550 1027607510 /nfs/dbraw/zinc/60/75/10/1027607510.db2.gz HCVDVAMTFRTWEC-CYBMUJFWSA-N 0 3 320.421 3.928 20 30 DHEDHN Cc1cccc(O[C@@H]2CCCC[C@H]2NCc2ccc(C#N)o2)c1 ZINC000158773809 1027635171 /nfs/dbraw/zinc/63/51/71/1027635171.db2.gz HSSCHBPNRQFNIY-RTBURBONSA-N 0 3 310.397 3.940 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@]1(C)CCOc2ccccc21 ZINC000933369485 1027723080 /nfs/dbraw/zinc/72/30/80/1027723080.db2.gz JYMNUIALJZURFY-HXUWFJFHSA-N 0 3 306.409 3.963 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](C)c1nccs1 ZINC000778176243 1027768666 /nfs/dbraw/zinc/76/86/66/1027768666.db2.gz CADAFDURPLGRFD-GFCCVEGCSA-N 0 3 320.845 3.702 20 30 DHEDHN C=CC[C@@H](CO)NCc1cc(Cl)c(OC(C)C)cc1Cl ZINC000527690203 1027829847 /nfs/dbraw/zinc/82/98/47/1027829847.db2.gz CRXIHJJNCYFSBL-LBPRGKRZSA-N 0 3 318.244 3.807 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCC(C(=O)c3ccccc3Cl)CC2)C1 ZINC000934418843 1027998770 /nfs/dbraw/zinc/99/87/70/1027998770.db2.gz PSQTZSYOWQYBFO-UKRRQHHQSA-N 0 3 316.832 3.927 20 30 DHEDHN N#CC(=C([O-])c1cccc(C[NH+]2CCCCC2)c1)c1ccccn1 ZINC000563667833 1028157053 /nfs/dbraw/zinc/15/70/53/1028157053.db2.gz YTWTYVQBGDPPJN-SFHVURJKSA-N 0 3 319.408 3.558 20 30 DHEDHN C=CCCCCCN(C)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449028109 1028266839 /nfs/dbraw/zinc/26/68/39/1028266839.db2.gz KRSNAARRNILORT-INIZCTEOSA-N 0 3 323.502 3.872 20 30 DHEDHN N#CCc1cccc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000048859140 1028274512 /nfs/dbraw/zinc/27/45/12/1028274512.db2.gz MQXVSESKCTXJQB-KRWDZBQOSA-N 0 3 311.344 3.791 20 30 DHEDHN CCCCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000935623991 1028339264 /nfs/dbraw/zinc/33/92/64/1028339264.db2.gz IZWINSAAMXYAQY-SFHVURJKSA-N 0 3 302.462 3.738 20 30 DHEDHN C[C@@H](NC[C@@H](O)c1cc2ccccc2o1)c1ccc(C#N)cc1 ZINC000815081516 1028351983 /nfs/dbraw/zinc/35/19/83/1028351983.db2.gz HEYFDKVMGWMBIG-CXAGYDPISA-N 0 3 306.365 3.689 20 30 DHEDHN C=CCCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000370067529 1028562006 /nfs/dbraw/zinc/56/20/06/1028562006.db2.gz ZKEDGZOXXLUEIT-YJBOKZPZSA-N 0 3 320.864 3.805 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC2CCC1CC2 ZINC000815898305 1028648982 /nfs/dbraw/zinc/64/89/82/1028648982.db2.gz YSAOTCJSSZRGNU-WUCCLRPBSA-N 0 3 307.397 3.576 20 30 DHEDHN N#Cc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041542549 1028746658 /nfs/dbraw/zinc/74/66/58/1028746658.db2.gz BDYLZIBKCUAUEL-OAHLLOKOSA-N 0 3 315.332 3.509 20 30 DHEDHN CC1(C)[C@@H](c2cccc(F)c2)CCN1Cc1ccc(C#N)cn1 ZINC000528768873 1028786797 /nfs/dbraw/zinc/78/67/97/1028786797.db2.gz DMQKPORMZUZZHW-GOSISDBHSA-N 0 3 309.388 3.860 20 30 DHEDHN CCC#C[C@H](C)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000752853595 1028797402 /nfs/dbraw/zinc/79/74/02/1028797402.db2.gz CUFLXVAHOBVLRS-KSSFIOAISA-N 0 3 305.849 3.887 20 30 DHEDHN C[C@H](N[C@@H]1CCSC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372056352 1028800775 /nfs/dbraw/zinc/80/07/75/1028800775.db2.gz NEPDESPJJAUFDS-SMDDNHRTSA-N 0 3 315.467 3.838 20 30 DHEDHN C=CCN(CCc1ccco1)Cn1cnc2cc(F)c(F)cc21 ZINC000778586072 1028877762 /nfs/dbraw/zinc/87/77/62/1028877762.db2.gz ZAAUAQQMNDRZRB-UHFFFAOYSA-N 0 3 317.339 3.596 20 30 DHEDHN COc1cc(CN[C@@H]2CCCN(C)c3ccccc32)ccc1C#N ZINC000449655014 1028890265 /nfs/dbraw/zinc/89/02/65/1028890265.db2.gz XXVUMRKZGFYZAZ-GOSISDBHSA-N 0 3 321.424 3.628 20 30 DHEDHN N#CCCCN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000373225502 1028983739 /nfs/dbraw/zinc/98/37/39/1028983739.db2.gz AIPXYLZUHKVKJJ-UHFFFAOYSA-N 0 3 320.436 3.941 20 30 DHEDHN C#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000816631667 1028985930 /nfs/dbraw/zinc/98/59/30/1028985930.db2.gz ZPTJOPVXROBFFU-HXUWFJFHSA-N 0 3 305.421 3.661 20 30 DHEDHN CC1(C)CN(CCC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000411662466 1029180135 /nfs/dbraw/zinc/18/01/35/1029180135.db2.gz NYHFLVDNLXYWTA-LJQANCHMSA-N 0 3 320.477 3.511 20 30 DHEDHN C=CCC1(C(=O)NC[C@H]2CCN2C2CCCC2)CCCCC1 ZINC000628966322 1029201656 /nfs/dbraw/zinc/20/16/56/1029201656.db2.gz OMQFOVZNHYACID-QGZVFWFLSA-N 0 3 304.478 3.646 20 30 DHEDHN C=CC[C@H](C)N[C@H](c1nc(Br)cs1)C1CC1 ZINC000817582459 1029210133 /nfs/dbraw/zinc/21/01/33/1029210133.db2.gz YCZBDEMXBOCIMR-KWQFWETISA-N 0 3 301.253 3.911 20 30 DHEDHN C#CCCCCN[C@H](c1nc(Br)cs1)C1CC1 ZINC000817579642 1029210163 /nfs/dbraw/zinc/21/01/63/1029210163.db2.gz CUISEHAMQRAARQ-LBPRGKRZSA-N 0 3 313.264 3.750 20 30 DHEDHN Cc1cc(C)cc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000190926352 1029215220 /nfs/dbraw/zinc/21/52/20/1029215220.db2.gz BVDRCJMJDDAQDS-HNNXBMFYSA-N 0 3 301.349 3.737 20 30 DHEDHN CC(C)(C)Sc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000818108575 1029336231 /nfs/dbraw/zinc/33/62/31/1029336231.db2.gz DFFJIZXTHYVGGC-CQSZACIVSA-N 0 3 305.447 3.537 20 30 DHEDHN CC(C)[C@H](NCc1ccc(Cl)cc1C#N)C1(CO)CCCC1 ZINC001170931057 1029589406 /nfs/dbraw/zinc/58/94/06/1029589406.db2.gz WAESCJANRQMUMQ-KRWDZBQOSA-N 0 3 320.864 3.879 20 30 DHEDHN CCc1cc(CCCN2CC=C(c3ccc(C#N)cc3)CC2)on1 ZINC000450652684 1029597267 /nfs/dbraw/zinc/59/72/67/1029597267.db2.gz ORQKNHLBMFWMTJ-UHFFFAOYSA-N 0 3 321.424 3.831 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC(C)C)c1ccccc1 ZINC000357415114 1030044896 /nfs/dbraw/zinc/04/48/96/1030044896.db2.gz IFFSXLVYBIZEQE-SFHVURJKSA-N 0 3 300.446 3.564 20 30 DHEDHN C=CC[C@H]1CC[C@@H](NCc2ncc(Br)s2)C1 ZINC000865850077 1030059559 /nfs/dbraw/zinc/05/95/59/1030059559.db2.gz UFLCHUQGODVVJW-VHSXEESVSA-N 0 3 301.253 3.740 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000924605786 1030136735 /nfs/dbraw/zinc/13/67/35/1030136735.db2.gz HQNUDLVRUIGSKS-AWEZNQCLSA-N 0 3 313.445 3.843 20 30 DHEDHN C[C@H](NCc1ccc(C2(C)OCCO2)cc1)c1cccc(C#N)c1 ZINC000866421844 1030289841 /nfs/dbraw/zinc/28/98/41/1030289841.db2.gz CEBMPUPAZHNUPC-HNNXBMFYSA-N 0 3 322.408 3.629 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000925303608 1030340160 /nfs/dbraw/zinc/34/01/60/1030340160.db2.gz ONVBFURUYMHHMT-GFCCVEGCSA-N 0 3 322.836 3.919 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000533505177 1030391586 /nfs/dbraw/zinc/39/15/86/1030391586.db2.gz BSVZPWGOYPFPLU-APWZRJJASA-N 0 3 312.457 3.707 20 30 DHEDHN C=C[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000358319212 1030437709 /nfs/dbraw/zinc/43/77/09/1030437709.db2.gz NUPDYHAVMYGPTB-UONOGXRCSA-N 0 3 307.459 3.628 20 30 DHEDHN C=CC[C@@H](CO)CN[C@@H](c1ccc(CC)cc1)c1cccnc1 ZINC000925699872 1030457433 /nfs/dbraw/zinc/45/74/33/1030457433.db2.gz XXWBPPLTGDOFPE-XLIONFOSSA-N 0 3 310.441 3.508 20 30 DHEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc3ccccc3c2)C1=O ZINC001275603452 1030529949 /nfs/dbraw/zinc/52/99/49/1030529949.db2.gz VLKVACVVHZPSHB-OAQYLSRUSA-N 0 3 320.436 3.593 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(SC)s2)cc1 ZINC000824926629 1030674107 /nfs/dbraw/zinc/67/41/07/1030674107.db2.gz QEOHCVBKQYBFBV-UHFFFAOYSA-N 0 3 303.452 3.772 20 30 DHEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccc(Br)cn1 ZINC000926336732 1030703519 /nfs/dbraw/zinc/70/35/19/1030703519.db2.gz HHDOVHCWCHSFMI-WDEREUQCSA-N 0 3 310.239 3.823 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H]1c1ccc(C)s1 ZINC000359095492 1030775606 /nfs/dbraw/zinc/77/56/06/1030775606.db2.gz MOUHJEZPPBDPLG-CVEARBPZSA-N 0 3 318.486 3.783 20 30 DHEDHN C#CC[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000844001506 1030931614 /nfs/dbraw/zinc/93/16/14/1030931614.db2.gz MTLVBZWNJLISAO-GOSISDBHSA-N 0 3 324.468 3.548 20 30 DHEDHN C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000797005582 1031240921 /nfs/dbraw/zinc/24/09/21/1031240921.db2.gz DDBZSGGJISBCSM-ZDUSSCGKSA-N 0 3 301.361 3.947 20 30 DHEDHN N#Cc1ccc(CN(CCCCCCO)Cc2ccccc2)nc1 ZINC001144166469 1031307010 /nfs/dbraw/zinc/30/70/10/1031307010.db2.gz HJMLXMULHNAFPH-UHFFFAOYSA-N 0 3 323.440 3.508 20 30 DHEDHN CC(C)[C@@H](C(=O)Nc1ccc(CCC#N)cc1)N1CCCCC1 ZINC000928405653 1031312276 /nfs/dbraw/zinc/31/22/76/1031312276.db2.gz GDEYXMQPKUBQEU-SFHVURJKSA-N 0 3 313.445 3.592 20 30 DHEDHN CC[C@H](Cc1cn(C)c2ccccc12)NC[C@@H](C#N)CCC#N ZINC000871906731 1031379082 /nfs/dbraw/zinc/37/90/82/1031379082.db2.gz FXRMVUDRLOUVJF-NVXWUHKLSA-N 0 3 308.429 3.533 20 30 DHEDHN C=CCC[C@H](C(=O)N(C)CCN1CCCCC1)c1ccccc1 ZINC001144281514 1031420285 /nfs/dbraw/zinc/42/02/85/1031420285.db2.gz RUKQIJZWGHDCJQ-IBGZPJMESA-N 0 3 314.473 3.681 20 30 DHEDHN C=CCN(CCCc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000360449816 1031431517 /nfs/dbraw/zinc/43/15/17/1031431517.db2.gz SRGLWQVAXAUEAB-UHFFFAOYSA-N 0 3 311.385 3.611 20 30 DHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCC[C@@H](C)C1 ZINC000360627740 1031497969 /nfs/dbraw/zinc/49/79/69/1031497969.db2.gz COTDLNPENVVURL-OLZOCXBDSA-N 0 3 319.836 3.661 20 30 DHEDHN CN(Cc1cncc(C#N)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000929423851 1031518746 /nfs/dbraw/zinc/51/87/46/1031518746.db2.gz DREJGPZWJVGSTF-WOJBJXKFSA-N 0 3 321.424 3.553 20 30 DHEDHN N=C(Nc1cccc(C2COC2)c1)c1ccc2cc(O)ccc2c1 ZINC001171182952 1031594762 /nfs/dbraw/zinc/59/47/62/1031594762.db2.gz XLRMNWDGNQLAOI-UHFFFAOYSA-N 0 3 318.376 3.696 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000124152071 1031628851 /nfs/dbraw/zinc/62/88/51/1031628851.db2.gz SRBFIPWLCKFEKL-DQPIFXJKSA-N 0 3 304.434 3.615 20 30 DHEDHN N#Cc1c(F)cccc1CNC1CCC(O)(c2ccccc2)CC1 ZINC000873105658 1031711577 /nfs/dbraw/zinc/71/15/77/1031711577.db2.gz AJJZGSSXCJXCAG-UHFFFAOYSA-N 0 3 324.399 3.617 20 30 DHEDHN COc1ccc(CN[C@H](C)c2ccc[nH]2)cc1OCCCC#N ZINC000760444717 1031717345 /nfs/dbraw/zinc/71/73/45/1031717345.db2.gz FSPUPZSECNITKP-CQSZACIVSA-N 0 3 313.401 3.557 20 30 DHEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1csc(C)n1)C(C)C ZINC000361098560 1031727531 /nfs/dbraw/zinc/72/75/31/1031727531.db2.gz UEJKHYYXGNRRML-RHSMWYFYSA-N 0 3 307.507 3.801 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000930187344 1031727989 /nfs/dbraw/zinc/72/79/89/1031727989.db2.gz FSUIYOMYIFAHBW-AWEZNQCLSA-N 0 3 308.381 3.755 20 30 DHEDHN C=CCC(CC=C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873031 1031747907 /nfs/dbraw/zinc/74/79/07/1031747907.db2.gz BEUWJVHOMXXUGU-LRDDRELGSA-N 0 3 321.348 3.844 20 30 DHEDHN CC([C@H](OC(=O)CCCCCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000845877748 1031751286 /nfs/dbraw/zinc/75/12/86/1031751286.db2.gz GNJFGWCOZXEXSD-LRDDRELGSA-N 0 3 322.336 3.549 20 30 DHEDHN C[C@@H](NCc1nc(C#N)cs1)[C@@H](C)c1ccc(Cl)cc1 ZINC000897628746 1031754385 /nfs/dbraw/zinc/75/43/85/1031754385.db2.gz BEXSHVSKHKQQNI-GHMZBOCLSA-N 0 3 305.834 3.950 20 30 DHEDHN C=C1CCC(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000897730544 1031826610 /nfs/dbraw/zinc/82/66/10/1031826610.db2.gz OXBJPOOBMDMXMK-HOCLYGCPSA-N 0 3 304.434 3.571 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846107006 1031878712 /nfs/dbraw/zinc/87/87/12/1031878712.db2.gz DQDXUESYJMRPTC-XJKSGUPXSA-N 0 3 306.356 3.599 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@@H]1COCc1ccccc1 ZINC001171221313 1031959264 /nfs/dbraw/zinc/95/92/64/1031959264.db2.gz KNKSGHJEMXIYSK-DYESRHJHSA-N 0 3 320.436 3.780 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N(C)Cc1nc2ccccc2o1 ZINC001171223831 1031976338 /nfs/dbraw/zinc/97/63/38/1031976338.db2.gz NXYHZNIHVTWLQE-AWEZNQCLSA-N 0 3 305.381 3.762 20 30 DHEDHN CCOCc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000125824375 1031991826 /nfs/dbraw/zinc/99/18/26/1031991826.db2.gz KDIICUAGDZJAJJ-UHFFFAOYSA-N 0 3 320.436 3.937 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1 ZINC000898324733 1032021900 /nfs/dbraw/zinc/02/19/00/1032021900.db2.gz JQWIDLIRRIKUGP-HXUWFJFHSA-N 0 3 306.409 3.725 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2[nH]ccc2s1 ZINC000361657324 1032041662 /nfs/dbraw/zinc/04/16/62/1032041662.db2.gz VMTWJKFIIPDGMA-SNVBAGLBSA-N 0 3 320.377 3.606 20 30 DHEDHN C[C@H](CCC#N)CN1CCC(O)(c2ccccc2Cl)CC1 ZINC000877477713 1033313722 /nfs/dbraw/zinc/31/37/22/1033313722.db2.gz FYZWTMTWVBQJPM-CQSZACIVSA-N 0 3 306.837 3.563 20 30 DHEDHN N#Cc1ccc2c(c1)CCN([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172720031 1033326166 /nfs/dbraw/zinc/32/61/66/1033326166.db2.gz UYZSMWPXOHARIC-LJQANCHMSA-N 0 3 308.812 3.737 20 30 DHEDHN Cc1ccc([C@H]2CCCN2Cc2ccc(OCC#N)cc2)cn1 ZINC001137121418 1033326794 /nfs/dbraw/zinc/32/67/94/1033326794.db2.gz KMJFUATVFJXBJB-LJQANCHMSA-N 0 3 307.397 3.630 20 30 DHEDHN CN(CCc1cccc(C#N)c1)Cc1ncccc1C(F)(F)F ZINC000877704249 1033419376 /nfs/dbraw/zinc/41/93/76/1033419376.db2.gz LIMDUFJEWGPBOG-UHFFFAOYSA-N 0 3 319.330 3.647 20 30 DHEDHN CC[C@H](CC#N)N[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173076574 1033531215 /nfs/dbraw/zinc/53/12/15/1033531215.db2.gz UHISTFGUPYFBAH-DGCLKSJQSA-N 0 3 300.324 3.798 20 30 DHEDHN CCC1(C)CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878031322 1033559537 /nfs/dbraw/zinc/55/95/37/1033559537.db2.gz WHKMRYHVMOEHCF-FQEVSTJZSA-N 0 3 312.457 3.939 20 30 DHEDHN C=C(C)[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000478922198 1033610336 /nfs/dbraw/zinc/61/03/36/1033610336.db2.gz WYCBHFUQZPFODA-FHSNZYRGSA-N 0 3 322.399 3.571 20 30 DHEDHN C#CC[C@H](NCc1ccc(C)c(C(=O)OC)c1)c1ccccc1 ZINC000878363147 1033675541 /nfs/dbraw/zinc/67/55/41/1033675541.db2.gz SHARBOUHTMEMDK-IBGZPJMESA-N 0 3 307.393 3.636 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1C[C@H](C)CC(C)(C)C1)c1ccccc1 ZINC000878403629 1033692523 /nfs/dbraw/zinc/69/25/23/1033692523.db2.gz DERXJIUFHIDBHJ-OXQOHEQNSA-N 0 3 312.457 3.795 20 30 DHEDHN C#CC[C@H]1CCN(Cc2cccc(OCC)c2OC(F)F)C1 ZINC000862442948 1033854890 /nfs/dbraw/zinc/85/48/90/1033854890.db2.gz JBXFLTIIXCJSPY-ZDUSSCGKSA-N 0 3 309.356 3.532 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000862444304 1033860635 /nfs/dbraw/zinc/86/06/35/1033860635.db2.gz UXVKOZUVFBKORD-MJBXVCDLSA-N 0 3 308.372 3.701 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(CC#N)cc2)c(C)c1OC ZINC000554292658 1034077199 /nfs/dbraw/zinc/07/71/99/1034077199.db2.gz DWLUUXZMDAFOCF-HNNXBMFYSA-N 0 3 324.424 3.929 20 30 DHEDHN CCN(Cc1cnn2ccccc12)[C@H](C)c1ccc(C#N)cc1 ZINC000179464071 1034311068 /nfs/dbraw/zinc/31/10/68/1034311068.db2.gz MBMQXBLVGWHBQR-OAHLLOKOSA-N 0 3 304.397 3.789 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cnn3ccccc23)c([O-])c1 ZINC000794676087 1034335880 /nfs/dbraw/zinc/33/58/80/1034335880.db2.gz JHHHFEFSGPVVLU-UDWIEESQSA-N 0 3 322.412 3.505 20 30 DHEDHN N#CCC[C@H](C#N)CNCC1(c2cccs2)CCCCC1 ZINC000554962312 1034434873 /nfs/dbraw/zinc/43/48/73/1034434873.db2.gz JLZURQOEIXDXCW-OAHLLOKOSA-N 0 3 301.459 3.983 20 30 DHEDHN COc1cc(CN[C@H]2c3cc(F)ccc3C[C@@H]2C)ccc1C#N ZINC000554998512 1034455825 /nfs/dbraw/zinc/45/58/25/1034455825.db2.gz PLJBHSPAEXXJCK-HXPMCKFVSA-N 0 3 310.372 3.729 20 30 DHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCN(C)CC1 ZINC000191466863 1034759429 /nfs/dbraw/zinc/75/94/29/1034759429.db2.gz NULYRSHMEYPGNN-UHFFFAOYSA-N 0 3 315.461 3.708 20 30 DHEDHN N#CCc1cccc2c1CCN(Cc1ccc3cc[nH]c3c1)C2 ZINC000600212300 1034806860 /nfs/dbraw/zinc/80/68/60/1034806860.db2.gz BVQLFULIYOYRAM-UHFFFAOYSA-N 0 3 301.393 3.792 20 30 DHEDHN C=CCCC[C@@H](C)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000481422673 1034820470 /nfs/dbraw/zinc/82/04/70/1034820470.db2.gz UCMAOUYYWOSVFP-RDTXWAMCSA-N 0 3 301.409 3.983 20 30 DHEDHN C=CCCC[C@H](C)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000481422672 1034821741 /nfs/dbraw/zinc/82/17/41/1034821741.db2.gz UCMAOUYYWOSVFP-KSSFIOAISA-N 0 3 301.409 3.983 20 30 DHEDHN N#Cc1ncc(NC2=CCN(Cc3ccccc3)CC2)cc1Cl ZINC001175505345 1035012353 /nfs/dbraw/zinc/01/23/53/1035012353.db2.gz MEQNGIMAPIDDAV-UHFFFAOYSA-N 0 3 324.815 3.808 20 30 DHEDHN N#Cc1cc(F)cc(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175506057 1035017484 /nfs/dbraw/zinc/01/74/84/1035017484.db2.gz MCJOCZJAUPCLEX-UHFFFAOYSA-N 0 3 307.372 3.899 20 30 DHEDHN CCN1CCN(c2ccc(Nc3ccc(F)cc3C#N)cc2)CC1 ZINC001175782861 1035119469 /nfs/dbraw/zinc/11/94/69/1035119469.db2.gz WWMADNADDIFTSF-UHFFFAOYSA-N 0 3 324.403 3.583 20 30 DHEDHN Cc1cccc([C@@H]2CCCN2CCCOc2cccc(C#N)c2)n1 ZINC000160044719 1035127954 /nfs/dbraw/zinc/12/79/54/1035127954.db2.gz WRXPJNRMDAEMJH-FQEVSTJZSA-N 0 3 321.424 3.868 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H](CCCO)c2ccccc2)cc1 ZINC000160751599 1035227126 /nfs/dbraw/zinc/22/71/26/1035227126.db2.gz IMXQTPUKVIAXQD-LAUBAEHRSA-N 0 3 323.436 3.863 20 30 DHEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](C(C)(C)C)C1 ZINC000483255659 1035247486 /nfs/dbraw/zinc/24/74/86/1035247486.db2.gz BLRXRBWFXHLUPL-ZBFHGGJFSA-N 0 3 313.445 3.643 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000483765972 1035298186 /nfs/dbraw/zinc/29/81/86/1035298186.db2.gz SDFIQUKMNHOABB-DOTOQJQBSA-N 0 3 321.509 3.541 20 30 DHEDHN CCN(CC#Cc1ccccc1)[C@H](COC)Cc1ccccc1 ZINC000483930385 1035309688 /nfs/dbraw/zinc/30/96/88/1035309688.db2.gz PJLNDPFTWLJGDR-NRFANRHFSA-N 0 3 307.437 3.618 20 30 DHEDHN CN(CC#Cc1ccccc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000483960577 1035310984 /nfs/dbraw/zinc/31/09/84/1035310984.db2.gz NXBKFVRLTLMNLH-NRFANRHFSA-N 0 3 304.437 3.639 20 30 DHEDHN C=CCN(CC(=O)N[C@@H](C)c1cccs1)CC1CCCCC1 ZINC000484485656 1035339078 /nfs/dbraw/zinc/33/90/78/1035339078.db2.gz JFEUKNGRTUFZKR-HNNXBMFYSA-N 0 3 320.502 3.994 20 30 DHEDHN CS[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000773764310 1035442634 /nfs/dbraw/zinc/44/26/34/1035442634.db2.gz PFSSPVOJJCZPAK-GWCFXTLKSA-N 0 3 324.833 3.519 20 30 DHEDHN C=CC(C)(C)CCNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC001179237761 1035470617 /nfs/dbraw/zinc/47/06/17/1035470617.db2.gz AHYUKPXOIVSJDP-UHFFFAOYSA-N 0 3 322.815 3.752 20 30 DHEDHN C#CC1(NCc2ccc(N(C)c3ccccc3)nc2)CCCC1 ZINC001179438075 1035477442 /nfs/dbraw/zinc/47/74/42/1035477442.db2.gz QCXCQCONUCCJCQ-UHFFFAOYSA-N 0 3 305.425 3.885 20 30 DHEDHN CCCCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905081259 1035478375 /nfs/dbraw/zinc/47/83/75/1035478375.db2.gz QNQUIZWHGTZCTF-RERGGYADSA-N 0 3 311.385 3.688 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCS[C@@H](C)C1 ZINC001179716168 1035494795 /nfs/dbraw/zinc/49/47/95/1035494795.db2.gz GOSKAAPURKWYPY-QWHCGFSZSA-N 0 3 309.862 3.726 20 30 DHEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1cccc2ccccc21)C1CC1 ZINC000176532265 1035545062 /nfs/dbraw/zinc/54/50/62/1035545062.db2.gz KSGLPTNJQOWHTL-LRDDRELGSA-N 0 3 306.365 3.533 20 30 DHEDHN C#C[C@H](N[C@@H](C)c1ccc(OC)c2ccccc21)[C@@H]1CCCO1 ZINC000775574864 1035561573 /nfs/dbraw/zinc/56/15/73/1035561573.db2.gz STXJPJOLWUXYNI-DCPHZVHLSA-N 0 3 309.409 3.680 20 30 DHEDHN C#Cc1ccc(CN2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cc1 ZINC001180143321 1035599150 /nfs/dbraw/zinc/59/91/50/1035599150.db2.gz VWQDYAQKLKHBSN-RBUKOAKNSA-N 0 3 318.464 3.763 20 30 DHEDHN COC(=O)c1cccc(CN2CCCC23CCCCC3)c1C#N ZINC000535441232 1035633554 /nfs/dbraw/zinc/63/35/54/1035633554.db2.gz JVRRRMMCEVTDNJ-UHFFFAOYSA-N 0 3 312.413 3.644 20 30 DHEDHN CC(C)c1cccc2c1CCN(C[C@H](O)c1cccc(C#N)c1)C2 ZINC001194042234 1035810687 /nfs/dbraw/zinc/81/06/87/1035810687.db2.gz PECNQPZONYIPOX-NRFANRHFSA-N 0 3 320.436 3.773 20 30 DHEDHN COc1cc(C)ccc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000540189000 1035996975 /nfs/dbraw/zinc/99/69/75/1035996975.db2.gz OXKWWFMJTCDCMT-OAHLLOKOSA-N 0 3 310.397 3.605 20 30 DHEDHN N#Cc1ccc(C2CCN([C@H]3C[C@H]3c3cccc(F)c3)CC2)nc1 ZINC000906588915 1036011645 /nfs/dbraw/zinc/01/16/45/1036011645.db2.gz IOXJFVXJAVDKRC-ICSRJNTNSA-N 0 3 321.399 3.828 20 30 DHEDHN C=CCNC(=O)CN[C@@H](CCC(C)C)c1ccc(Cl)cc1 ZINC000540366079 1036051531 /nfs/dbraw/zinc/05/15/31/1036051531.db2.gz QZHLZSRQZWKOFQ-INIZCTEOSA-N 0 3 308.853 3.709 20 30 DHEDHN C#CCN(Cc1ccc2c(c1)ncn2C)[C@@H]1CCc2ccccc21 ZINC000775631735 1036119671 /nfs/dbraw/zinc/11/96/71/1036119671.db2.gz VBFUOOKDZIRNHY-HXUWFJFHSA-N 0 3 315.420 3.696 20 30 DHEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000774395525 1036317159 /nfs/dbraw/zinc/31/71/59/1036317159.db2.gz RMIZHSCXBLUMEL-GOSISDBHSA-N 0 3 321.380 3.892 20 30 DHEDHN Cc1ccc2c(c1)CN(CCCOc1ccc(C#N)cc1)CC2 ZINC001195912353 1036383619 /nfs/dbraw/zinc/38/36/19/1036383619.db2.gz ZMUSGTFGINBTID-UHFFFAOYSA-N 0 3 306.409 3.694 20 30 DHEDHN N#CC(C(=O)CC1CCSCC1)c1ccc2ccccc2n1 ZINC000762064101 1036490853 /nfs/dbraw/zinc/49/08/53/1036490853.db2.gz OVYQHRXFCAHLFE-OAHLLOKOSA-N 0 3 310.422 3.944 20 30 DHEDHN CC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000271830107 1036552086 /nfs/dbraw/zinc/55/20/86/1036552086.db2.gz UFCKPBZWUBBTRZ-ZWKOTPCHSA-N 0 3 316.351 3.611 20 30 DHEDHN C#Cc1ccc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)OC)cc1 ZINC001183729217 1036659645 /nfs/dbraw/zinc/65/96/45/1036659645.db2.gz XWSNEJMSQAEIJZ-IBGZPJMESA-N 0 3 321.420 3.698 20 30 DHEDHN CCCCCCCC[C@H]1C[C@H]1C(=O)N1CCC2(CN(C)C2)CC1 ZINC001273738297 1036700736 /nfs/dbraw/zinc/70/07/36/1036700736.db2.gz OBBABDCIMMHKBG-ZWKOTPCHSA-N 0 3 320.521 3.927 20 30 DHEDHN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCc1ccc(C#N)cc1 ZINC001198174742 1036967992 /nfs/dbraw/zinc/96/79/92/1036967992.db2.gz WVSBCEFDZQVNFT-LZJOCLMNSA-N 0 3 320.436 3.951 20 30 DHEDHN C=CCCCN(CC)[C@H]1CCCN(c2ccccc2F)C1=O ZINC001198458521 1037027608 /nfs/dbraw/zinc/02/76/08/1037027608.db2.gz SLAOHKBTLQCREU-KRWDZBQOSA-N 0 3 304.409 3.609 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@H]1C ZINC000487983971 1037088779 /nfs/dbraw/zinc/08/87/79/1037088779.db2.gz XWOPQPLRXOABJZ-CXAGYDPISA-N 0 3 306.837 3.849 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)OCCCO2)c1ccc(C#N)cc1 ZINC000193702722 1037117237 /nfs/dbraw/zinc/11/72/37/1037117237.db2.gz IPAJNEGHJIEVBF-AWEZNQCLSA-N 0 3 308.381 3.570 20 30 DHEDHN C=CCOc1ccc(C(=O)Nc2cc(CN(C)C)ccc2C)cc1 ZINC000177355279 1037229705 /nfs/dbraw/zinc/22/97/05/1037229705.db2.gz KYCOYJHYIYUGLE-UHFFFAOYSA-N 0 3 324.424 3.874 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1SC(F)F ZINC000912056940 1037278143 /nfs/dbraw/zinc/27/81/43/1037278143.db2.gz CFHVCTMDHLRNPK-SNVBAGLBSA-N 0 3 300.374 3.623 20 30 DHEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000912054494 1037282254 /nfs/dbraw/zinc/28/22/54/1037282254.db2.gz RMRPFSCJCVYKQM-FZMZJTMJSA-N 0 3 314.351 3.566 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(C#N)cc2)c([O-])c1 ZINC000915982442 1037631155 /nfs/dbraw/zinc/63/11/55/1037631155.db2.gz ZOUSHISLDYPMHB-STZFKDTASA-N 0 3 307.397 3.729 20 30 DHEDHN C[C@H](N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000027133562 1037646008 /nfs/dbraw/zinc/64/60/08/1037646008.db2.gz ZDQNMOLSLAAPOP-NSHDSACASA-N 0 3 307.825 3.517 20 30 DHEDHN C=C(Br)CN[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000776173904 1037678041 /nfs/dbraw/zinc/67/80/41/1037678041.db2.gz OXDJBZBNRKOUOB-HNNXBMFYSA-N 0 3 323.278 3.538 20 30 DHEDHN CN(C)c1ccncc1C=NOCc1ccc(C(F)(F)F)cc1 ZINC000776187988 1037683111 /nfs/dbraw/zinc/68/31/11/1037683111.db2.gz QVMOICZYPBVITM-UHFFFAOYSA-N 0 3 323.318 3.717 20 30 DHEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(C(F)(F)F)cc1 ZINC000776188231 1037684789 /nfs/dbraw/zinc/68/47/89/1037684789.db2.gz XYRJIKXVEARKGM-UHFFFAOYSA-N 0 3 308.307 3.612 20 30 DHEDHN Cc1cc(CN2CCC[C@@]3(C2)OCc2ccccc23)ccc1C#N ZINC000488082493 1037685463 /nfs/dbraw/zinc/68/54/63/1037685463.db2.gz YALRITVSYDCISL-NRFANRHFSA-N 0 3 318.420 3.888 20 30 DHEDHN C#CCN1CCC(C(=O)Nc2ccccc2CCC(C)C)CC1 ZINC000490590090 1037746588 /nfs/dbraw/zinc/74/65/88/1037746588.db2.gz NBULRCOYDBUYDD-UHFFFAOYSA-N 0 3 312.457 3.559 20 30 DHEDHN CCCN1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001201643603 1037829406 /nfs/dbraw/zinc/82/94/06/1037829406.db2.gz XMMOYSKAVZQLAL-UHFFFAOYSA-N 0 3 307.235 3.716 20 30 DHEDHN CCCCCCCN1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001201797925 1037898416 /nfs/dbraw/zinc/89/84/16/1037898416.db2.gz GXQMUCSCRRFIBU-MRXNPFEDSA-N 0 3 320.452 3.990 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CCC)cc2)CC1 ZINC000106317629 1037948548 /nfs/dbraw/zinc/94/85/48/1037948548.db2.gz XJXBQPQBNPXBQY-UHFFFAOYSA-N 0 3 315.461 3.801 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccccc2Cl)nc(C)n1 ZINC000916879672 1038020030 /nfs/dbraw/zinc/02/00/30/1038020030.db2.gz FQEOFLLLXBWILD-DANTVBBOSA-N 0 3 311.772 3.637 20 30 DHEDHN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)Nc2ccccc2)C1(C)C ZINC000916900218 1038026923 /nfs/dbraw/zinc/02/69/23/1038026923.db2.gz VHYJYRRTYUZSHF-XHSDSOJGSA-N 0 3 310.397 3.572 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H](C)CC ZINC000916905406 1038044038 /nfs/dbraw/zinc/04/40/38/1038044038.db2.gz CANMBLJZNWPZTR-WFASDCNBSA-N 0 3 300.402 3.505 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000106478510 1038102003 /nfs/dbraw/zinc/10/20/03/1038102003.db2.gz VHYJJFBYNPCQGL-ORAYPTAESA-N 0 3 310.372 3.894 20 30 DHEDHN C#CCN[C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000775252138 1038149769 /nfs/dbraw/zinc/14/97/69/1038149769.db2.gz BCAIHDMDFNZJEZ-SFHVURJKSA-N 0 3 309.409 3.519 20 30 DHEDHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000571689514 1038180041 /nfs/dbraw/zinc/18/00/41/1038180041.db2.gz UHHVJUZRRRCGGH-ZBFHGGJFSA-N 0 3 310.445 3.853 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001190458128 1038324705 /nfs/dbraw/zinc/32/47/05/1038324705.db2.gz XEMOKZYTXIFRMB-YTQUADARSA-N 0 3 301.430 3.641 20 30 DHEDHN Cc1cc(C#N)ccc1CN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000590123881 1038586047 /nfs/dbraw/zinc/58/60/47/1038586047.db2.gz OCBTWWVYRNAFSY-FQEVSTJZSA-N 0 3 320.436 3.860 20 30 DHEDHN COC(=O)c1cccc(CN2CCC[C@H]2CCC(C)C)c1C#N ZINC001192158810 1038596640 /nfs/dbraw/zinc/59/66/40/1038596640.db2.gz MQLAKQQMLPGUKU-INIZCTEOSA-N 0 3 314.429 3.745 20 30 DHEDHN CCCCCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000775532526 1038669152 /nfs/dbraw/zinc/66/91/52/1038669152.db2.gz XBMKSXMXNBMANK-HNNXBMFYSA-N 0 3 313.438 3.604 20 30 DHEDHN CC[C@@H](NC[C@@H](O)c1cccc(C#N)c1)c1cc(F)ccc1F ZINC001192689000 1038692397 /nfs/dbraw/zinc/69/23/97/1038692397.db2.gz AEMHJBYZOZSDRG-QZTJIDSGSA-N 0 3 316.351 3.611 20 30 DHEDHN N#CCC[C@H](NC[C@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000775552125 1038709285 /nfs/dbraw/zinc/70/92/85/1038709285.db2.gz FDGHBOFQCIRMTG-ROUUACIJSA-N 0 3 316.351 3.633 20 30 DHEDHN CC(C)CCOc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598719133 1038849879 /nfs/dbraw/zinc/84/98/79/1038849879.db2.gz GLPAOCYGWCOLKJ-KRWDZBQOSA-N 0 3 318.461 3.502 20 30 DHEDHN C=CCCSCCNCc1cc(C)c(Br)cn1 ZINC000598979258 1038974358 /nfs/dbraw/zinc/97/43/58/1038974358.db2.gz BGCOPLOHGJKAPO-UHFFFAOYSA-N 0 3 315.280 3.551 20 30 DHEDHN C=CCOc1c(Cl)cc(CNCC(C)(C)CC#N)cc1OC ZINC000598981967 1038977749 /nfs/dbraw/zinc/97/77/49/1038977749.db2.gz UEXMGQBTTYYWNT-UHFFFAOYSA-N 0 3 322.836 3.943 20 30 DHEDHN C=C(C)[C@H](NC[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187791996 1039019041 /nfs/dbraw/zinc/01/90/41/1039019041.db2.gz GIUPIRVHQLUSKY-MSOLQXFVSA-N 0 3 303.352 3.905 20 30 DHEDHN Cc1cccc2c1C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)CO2 ZINC000599064179 1039019757 /nfs/dbraw/zinc/01/97/57/1039019757.db2.gz KSCROFIACGAQLZ-DZGCQCFKSA-N 0 3 310.372 3.660 20 30 DHEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000599312763 1039116779 /nfs/dbraw/zinc/11/67/79/1039116779.db2.gz WOKSTIJZLQPNBE-PWSUYJOCSA-N 0 3 313.228 3.699 20 30 DHEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cc(Cl)ccc1Cl ZINC000599350521 1039127418 /nfs/dbraw/zinc/12/74/18/1039127418.db2.gz SYBQJVFLLGATDV-JQWIXIFHSA-N 0 3 313.228 3.699 20 30 DHEDHN CC(C)c1ccc(CN2CC[C@@](O)(CC#N)C2)c(C(C)C)c1 ZINC000592152410 1039129759 /nfs/dbraw/zinc/12/97/59/1039129759.db2.gz XISDYRCSIMGYTN-IBGZPJMESA-N 0 3 300.446 3.784 20 30 DHEDHN Cc1ccc(CN[C@H](c2cccs2)C(C)(C)CO)cc1C#N ZINC000599421730 1039150268 /nfs/dbraw/zinc/15/02/68/1039150268.db2.gz PAKHTCVDKKEWJU-QGZVFWFLSA-N 0 3 314.454 3.778 20 30 DHEDHN Cc1ccc(CN(Cc2ccc(C)c(C#N)c2)CC2CC2)cn1 ZINC000599455234 1039160852 /nfs/dbraw/zinc/16/08/52/1039160852.db2.gz JANQHJRYGCOYQB-UHFFFAOYSA-N 0 3 305.425 3.982 20 30 DHEDHN N#Cc1ccccc1CN1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000592168619 1039163122 /nfs/dbraw/zinc/16/31/22/1039163122.db2.gz SWIGOUTVJXYKOQ-NHCUHLMSSA-N 0 3 320.436 3.516 20 30 DHEDHN COc1cc(CNC2(c3cccc(F)c3)CCC2)ccc1C#N ZINC000592373827 1039169809 /nfs/dbraw/zinc/16/98/09/1039169809.db2.gz CWRWJQPRISUTAV-UHFFFAOYSA-N 0 3 310.372 3.875 20 30 DHEDHN Cc1c([C@H](C)NCc2ccc(CC#N)cc2)cccc1[N+](=O)[O-] ZINC000592391593 1039188192 /nfs/dbraw/zinc/18/81/92/1039188192.db2.gz FBVTUIOQIYJFHI-AWEZNQCLSA-N 0 3 309.369 3.820 20 30 DHEDHN C=CCC1(NCc2csc(C(=O)OCC)n2)CCCCC1 ZINC000599611677 1039234070 /nfs/dbraw/zinc/23/40/70/1039234070.db2.gz ZOHSGVLQHHMJCI-UHFFFAOYSA-N 0 3 308.447 3.688 20 30 DHEDHN COc1ccc([C@H]2CCN(Cc3cccc(C#N)c3)C2)cc1F ZINC000599679792 1039266923 /nfs/dbraw/zinc/26/69/23/1039266923.db2.gz PBMDXNFJHDZFDI-KRWDZBQOSA-N 0 3 310.372 3.695 20 30 DHEDHN Cc1ccccc1CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000171482417 1039490373 /nfs/dbraw/zinc/49/03/73/1039490373.db2.gz KRCINOBWQXOWKQ-OAHLLOKOSA-N 0 3 304.349 3.945 20 30 DHEDHN COc1ccc(C[C@H](C)NCC2(C#N)CCCC2)c(C)c1OC ZINC000593654726 1039580139 /nfs/dbraw/zinc/58/01/39/1039580139.db2.gz LNHIABLCDOMRPW-AWEZNQCLSA-N 0 3 316.445 3.617 20 30 DHEDHN N#CCOc1ccc(CNCc2ccc(Cl)c(F)c2)cc1 ZINC000171769335 1039623810 /nfs/dbraw/zinc/62/38/10/1039623810.db2.gz MESHXVHDXWGIRJ-UHFFFAOYSA-N 0 3 304.752 3.671 20 30 DHEDHN C[C@H](Cc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000171928349 1039669387 /nfs/dbraw/zinc/66/93/87/1039669387.db2.gz WGTRYECKUPPBJA-UKRRQHHQSA-N 0 3 304.349 3.883 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000594425620 1039791003 /nfs/dbraw/zinc/79/10/03/1039791003.db2.gz LOZDBNIJPWLDDY-SFHVURJKSA-N 0 3 323.396 3.829 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594499347 1039799529 /nfs/dbraw/zinc/79/95/29/1039799529.db2.gz GAPVONRWKKBXIW-ROUUACIJSA-N 0 3 319.364 3.731 20 30 DHEDHN COc1cc(F)cc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594499093 1039801178 /nfs/dbraw/zinc/80/11/78/1039801178.db2.gz BYBIDMYDPLQROV-UHFFFAOYSA-N 0 3 312.388 3.925 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2sc(C)nc2C)c1 ZINC000076870140 1039920561 /nfs/dbraw/zinc/92/05/61/1039920561.db2.gz IAGCXRKGINPAET-OAHLLOKOSA-N 0 3 315.442 3.731 20 30 DHEDHN CCCOc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594927415 1039930011 /nfs/dbraw/zinc/93/00/11/1039930011.db2.gz VLTGGKIISUDKSC-UHFFFAOYSA-N 0 3 321.424 3.715 20 30 DHEDHN Cn1cc([C@@H](NCc2ccc(C3(C#N)CC3)cc2)C(C)(C)C)cn1 ZINC000594942819 1039957864 /nfs/dbraw/zinc/95/78/64/1039957864.db2.gz ZSDLMKXXWRXIBX-GOSISDBHSA-N 0 3 322.456 3.852 20 30 DHEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)ccc1F ZINC000594982330 1040001368 /nfs/dbraw/zinc/00/13/68/1040001368.db2.gz DODWHVOQIQGLNC-UHFFFAOYSA-N 0 3 324.399 3.801 20 30 DHEDHN C=CCCSCCN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000595060115 1040026432 /nfs/dbraw/zinc/02/64/32/1040026432.db2.gz RSLYTOIYESKHTI-GFCCVEGCSA-N 0 3 313.438 3.803 20 30 DHEDHN C=CCN(CCOc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000059423169 1040044154 /nfs/dbraw/zinc/04/41/54/1040044154.db2.gz WGCROHQEEGEJII-UHFFFAOYSA-N 0 3 322.408 3.634 20 30 DHEDHN C[C@H](O)[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595101959 1040065567 /nfs/dbraw/zinc/06/55/67/1040065567.db2.gz GQJKHOBLLYUKIM-KPOBHBOGSA-N 0 3 306.409 3.647 20 30 DHEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)C1CCCCC1 ZINC000595094322 1040079135 /nfs/dbraw/zinc/07/91/35/1040079135.db2.gz WQEFOEBYIWGJAL-SCLBCKFNSA-N 0 3 304.409 3.943 20 30 DHEDHN COC[C@H](C)Oc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000596978707 1040614268 /nfs/dbraw/zinc/61/42/68/1040614268.db2.gz AWOWLGXQOSYMMJ-INIZCTEOSA-N 0 3 324.424 3.604 20 30 DHEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)Cc1cccc(C#N)c1 ZINC000596979812 1040614773 /nfs/dbraw/zinc/61/47/73/1040614773.db2.gz POLLFKLDTRYSNZ-UHFFFAOYSA-N 0 3 301.393 3.745 20 30 DHEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)[C@H]1[C@H]1CCCO1 ZINC000597132876 1040658803 /nfs/dbraw/zinc/65/88/03/1040658803.db2.gz MSROCIVYBWUZLL-MSOLQXFVSA-N 0 3 310.441 3.631 20 30 DHEDHN COc1cc2c(cc1OC)[C@@H](N(C)Cc1cccc(C#N)c1)CC2 ZINC000602442395 1041032328 /nfs/dbraw/zinc/03/23/28/1041032328.db2.gz YEZUZXXVDNFINB-SFHVURJKSA-N 0 3 322.408 3.695 20 30 DHEDHN C[C@@H](CCC#N)CN(C)Cc1cc(Br)ccc1F ZINC000602439992 1041033551 /nfs/dbraw/zinc/03/35/51/1041033551.db2.gz IFHJKINPGGHPAI-NSHDSACASA-N 0 3 313.214 3.960 20 30 DHEDHN C[C@@H](N[C@H](c1nnc[nH]1)C1CCCCC1)c1ccc(C#N)cc1 ZINC000602511469 1041076991 /nfs/dbraw/zinc/07/69/91/1041076991.db2.gz SHNOZVUILOKUBV-DYVFJYSZSA-N 0 3 309.417 3.649 20 30 DHEDHN N#Cc1cccc(CNCC2(c3ccc(F)cc3Cl)CC2)n1 ZINC000602582002 1041112662 /nfs/dbraw/zinc/11/26/62/1041112662.db2.gz VFDWQDYHFQAMBH-UHFFFAOYSA-N 0 3 315.779 3.567 20 30 DHEDHN C[C@@H](NC1CCC(C#N)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000602620898 1041121922 /nfs/dbraw/zinc/12/19/22/1041121922.db2.gz AFECDDLUVNLWRZ-XIKARTHZSA-N 0 3 314.364 3.609 20 30 DHEDHN N#CCC1(CN2CCC(Oc3ccccc3Cl)CC2)CC1 ZINC000602800434 1041222171 /nfs/dbraw/zinc/22/21/71/1041222171.db2.gz NANUNVBSZACVQU-UHFFFAOYSA-N 0 3 304.821 3.877 20 30 DHEDHN Cc1cc(CN2CCC(c3ccc(C#N)cn3)CC2)ccc1C#N ZINC000602906958 1041294934 /nfs/dbraw/zinc/29/49/34/1041294934.db2.gz JBABOJLFLHBEGI-UHFFFAOYSA-N 0 3 316.408 3.513 20 30 DHEDHN C[C@@H](c1cccnc1)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602893732 1041299487 /nfs/dbraw/zinc/29/94/87/1041299487.db2.gz FOSLKVPWUIOHBZ-HNNXBMFYSA-N 0 3 306.413 3.591 20 30 DHEDHN N#CC1(CCCN[C@H](CF)c2ccc(F)cc2)CCOCC1 ZINC000603022304 1041349993 /nfs/dbraw/zinc/34/99/93/1041349993.db2.gz XVDXLYQUYMQCRO-MRXNPFEDSA-N 0 3 308.372 3.526 20 30 DHEDHN CCc1ccc([C@H]2CCCCN2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592999 1041351928 /nfs/dbraw/zinc/35/19/28/1041351928.db2.gz POFYNLMOXHXBBT-GOEBONIOSA-N 0 3 304.434 3.670 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@H]1c1ccc(F)cc1 ZINC000598594702 1041354204 /nfs/dbraw/zinc/35/42/04/1041354204.db2.gz IDIGTHKEEDMBRQ-SJORKVTESA-N 0 3 304.409 3.653 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(=Cc2ccccc2F)CC1 ZINC000598593896 1041355241 /nfs/dbraw/zinc/35/52/41/1041355241.db2.gz XYAKMVUSGJRIPV-QGZVFWFLSA-N 0 3 316.420 3.606 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CNC1(c2ccccc2Cl)CCC1 ZINC000598624064 1041363894 /nfs/dbraw/zinc/36/38/94/1041363894.db2.gz WMORJKQJIJVKNA-ZDUSSCGKSA-N 0 3 306.837 3.610 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000442895032 338438852 /nfs/dbraw/zinc/43/88/52/338438852.db2.gz DIMYVIMDWNLYFU-CYBMUJFWSA-N 0 3 314.820 3.806 20 30 DHEDHN Cc1ccc(Br)cc1CNCc1ccc(C#N)s1 ZINC000190295122 334927716 /nfs/dbraw/zinc/92/77/16/334927716.db2.gz JRCBZZMEAQMPOK-UHFFFAOYSA-N 0 3 321.243 3.981 20 30 DHEDHN C=CCC[C@@H](O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180570958 334952410 /nfs/dbraw/zinc/95/24/10/334952410.db2.gz SHFAMWKVJNRVLD-KGLIPLIRSA-N 0 3 305.315 3.736 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@H](COCC)C2)cc1OC ZINC000093419243 335000629 /nfs/dbraw/zinc/00/06/29/335000629.db2.gz DHSSZKCYEGWWAE-QGZVFWFLSA-N 0 3 319.445 3.509 20 30 DHEDHN C=CCC[C@H](NC1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC000285505071 335026751 /nfs/dbraw/zinc/02/67/51/335026751.db2.gz CVYVTTOEDJAXBN-INIZCTEOSA-N 0 3 304.434 3.524 20 30 DHEDHN Cc1ccccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555403 183202203 /nfs/dbraw/zinc/20/22/03/183202203.db2.gz NEEMZMVGWIEXOO-CYBMUJFWSA-N 0 3 304.271 3.899 20 30 DHEDHN C=CCOc1ccc(CN2CCS[C@H](C)CC2)cc1OC ZINC000190691486 335047417 /nfs/dbraw/zinc/04/74/17/335047417.db2.gz MXJOLTBUMNNSKA-CQSZACIVSA-N 0 3 307.459 3.587 20 30 DHEDHN CC(=O)Nc1ccc([C@@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272788045 130063740 /nfs/dbraw/zinc/06/37/40/130063740.db2.gz XHMXKFCBBOCSHN-CQSZACIVSA-N 0 3 319.408 3.857 20 30 DHEDHN C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccc(C#N)c(F)c1 ZINC000274806196 130264370 /nfs/dbraw/zinc/26/43/70/130264370.db2.gz WUSJSCSYHVHGHN-CYBMUJFWSA-N 0 3 312.388 3.776 20 30 DHEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2Cc2ccccc2C#N)C1 ZINC000340213346 131198838 /nfs/dbraw/zinc/19/88/38/131198838.db2.gz WNXFNPOFADSROP-TTYHFUOFSA-N 0 3 312.457 3.710 20 30 DHEDHN CC(C)n1ncc2cc(CN[C@H](C)c3ccc(C#N)cc3)cnc21 ZINC000299519721 132109662 /nfs/dbraw/zinc/10/96/62/132109662.db2.gz AOEJBTSDGGFNFK-CQSZACIVSA-N 0 3 319.412 3.735 20 30 DHEDHN Cc1ccccc1[C@@H](C)NCCC(=O)Nc1ccccc1C#N ZINC000299731435 132116660 /nfs/dbraw/zinc/11/66/60/132116660.db2.gz XFHPJIGDYYZUDS-OAHLLOKOSA-N 0 3 307.397 3.546 20 30 DHEDHN C#Cc1ccc(CN[C@@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000291580357 335081514 /nfs/dbraw/zinc/08/15/14/335081514.db2.gz OTWQESGDAILAFP-OAQYLSRUSA-N 0 3 317.432 3.852 20 30 DHEDHN Cc1nc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)ccc1C#N ZINC000488109035 429176542 /nfs/dbraw/zinc/17/65/42/429176542.db2.gz TXMSUENOIUEFOA-CRAIPNDOSA-N 0 3 306.413 3.509 20 30 DHEDHN C=CCC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccccc1 ZINC000292059501 335087767 /nfs/dbraw/zinc/08/77/67/335087767.db2.gz GBEJKWLAOMLVJA-GOSISDBHSA-N 0 3 300.446 3.542 20 30 DHEDHN CN(C)[C@H](CNc1cc(C#N)c2ccccc2n1)c1cccs1 ZINC000522935744 434937305 /nfs/dbraw/zinc/93/73/05/434937305.db2.gz IXPMENKRDMDYNV-MRXNPFEDSA-N 0 3 322.437 3.883 20 30 DHEDHN CN(C)[C@H](CNc1cc(C#N)c2ccccc2n1)c1ccccc1 ZINC000609890214 435355034 /nfs/dbraw/zinc/35/50/34/435355034.db2.gz XQKTYYWCBLKCFA-LJQANCHMSA-N 0 3 316.408 3.821 20 30 DHEDHN Cc1ccccc1CN1CCC(Nc2ccc(C#N)c(C)n2)CC1 ZINC000488054482 435633626 /nfs/dbraw/zinc/63/36/26/435633626.db2.gz GXIAWYKENGMRCZ-UHFFFAOYSA-N 0 3 320.440 3.647 20 30 DHEDHN C=CCOc1ccc(CN[C@H](COC)Cc2ccccc2)cc1 ZINC000530849021 331629983 /nfs/dbraw/zinc/62/99/83/331629983.db2.gz OXNXGJIBCZBEIL-IBGZPJMESA-N 0 3 311.425 3.599 20 30 DHEDHN C=CCCO[C@@H](C)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000299330796 331686542 /nfs/dbraw/zinc/68/65/42/331686542.db2.gz RBACIKXHWPRSMR-INIZCTEOSA-N 0 3 316.445 3.592 20 30 DHEDHN COc1ccc(CNCc2cccc(C)c2)cc1OCCCC#N ZINC000064613786 331832716 /nfs/dbraw/zinc/83/27/16/331832716.db2.gz UKLRJCGCFCOBAB-UHFFFAOYSA-N 0 3 324.424 3.976 20 30 DHEDHN C=CCOCCNC(C)(C)c1ccc(Br)c(C)c1 ZINC000559247656 332001993 /nfs/dbraw/zinc/00/19/93/332001993.db2.gz HLHSPUCTYLGDHL-UHFFFAOYSA-N 0 3 312.251 3.785 20 30 DHEDHN C=CCOc1ccc(CNC[C@H](O)C2CCCCC2)cc1Cl ZINC000518278635 332005732 /nfs/dbraw/zinc/00/57/32/332005732.db2.gz GSOGMKNBJIQBPS-KRWDZBQOSA-N 0 3 323.864 3.936 20 30 DHEDHN C=CCOc1ccc(CNC[C@@H](O)C2CCCCC2)cc1Cl ZINC000518278637 332005866 /nfs/dbraw/zinc/00/58/66/332005866.db2.gz GSOGMKNBJIQBPS-QGZVFWFLSA-N 0 3 323.864 3.936 20 30 DHEDHN C=CCOc1ccccc1CNCCOc1ccc(F)c(F)c1 ZINC000518284943 332006421 /nfs/dbraw/zinc/00/64/21/332006421.db2.gz BUOSCUVSGMKIHU-UHFFFAOYSA-N 0 3 319.351 3.698 20 30 DHEDHN C=CC[C@@H](CO)N[C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000186688454 332941240 /nfs/dbraw/zinc/94/12/40/332941240.db2.gz VAPWEKHJDQBGFJ-WCBMZHEXSA-N 0 3 306.258 3.959 20 30 DHEDHN CN(Cc1ccccc1)CC(C)(C)NCc1ccc(C#N)s1 ZINC000159376002 332081344 /nfs/dbraw/zinc/08/13/44/332081344.db2.gz VNWZFAPMTLEKCL-UHFFFAOYSA-N 0 3 313.470 3.620 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000410138460 332093031 /nfs/dbraw/zinc/09/30/31/332093031.db2.gz RKOZYXSWTWZADP-SJLPKXTDSA-N 0 3 318.436 3.509 20 30 DHEDHN Cc1cccc2oc(CCNCc3ccc(C#N)c(C)c3)nc21 ZINC000410316122 332109887 /nfs/dbraw/zinc/10/98/87/332109887.db2.gz DXCOXDUZIDRFON-UHFFFAOYSA-N 0 3 305.381 3.649 20 30 DHEDHN CCN1CCN(c2ccccc2NCC(C)(C)CCC#N)CC1 ZINC000092139615 332120148 /nfs/dbraw/zinc/12/01/48/332120148.db2.gz NHQRDKCBFJSIMB-UHFFFAOYSA-N 0 3 314.477 3.570 20 30 DHEDHN C[C@H]1C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CN1C1CC1 ZINC000317753308 332171024 /nfs/dbraw/zinc/17/10/24/332171024.db2.gz ORCADJZRBFAAMB-GWCFXTLKSA-N 0 3 309.335 3.614 20 30 DHEDHN COc1ccc(CNCc2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000102429341 332225758 /nfs/dbraw/zinc/22/57/58/332225758.db2.gz CJBIAVPZOSCJDC-UHFFFAOYSA-N 0 3 320.314 3.875 20 30 DHEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1cccc(O)c1 ZINC000105461744 332252059 /nfs/dbraw/zinc/25/20/59/332252059.db2.gz ABTCQVPGMSWBBU-HNNXBMFYSA-N 0 3 309.413 3.593 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCc3c2cccc3O)cc1 ZINC000105487438 332252263 /nfs/dbraw/zinc/25/22/63/332252263.db2.gz JJDCUBAXKPYVAB-LJQANCHMSA-N 0 3 321.424 3.519 20 30 DHEDHN C=C(C)CNCc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000119620177 332258147 /nfs/dbraw/zinc/25/81/47/332258147.db2.gz WMZJPCGMCAWARH-UHFFFAOYSA-N 0 3 316.401 3.545 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(C)(F)F)cc2)CC1 ZINC000292926465 335097826 /nfs/dbraw/zinc/09/78/26/335097826.db2.gz WSOBEYQEPIRDOG-UHFFFAOYSA-N 0 3 322.399 3.569 20 30 DHEDHN COCc1cccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000237228930 332327579 /nfs/dbraw/zinc/32/75/79/332327579.db2.gz IQMASWBTSWGFMZ-UHFFFAOYSA-N 0 3 324.424 3.805 20 30 DHEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Br)cn1 ZINC000560351618 332333041 /nfs/dbraw/zinc/33/30/41/332333041.db2.gz PYWWAESJDTVQED-MDZLAQPJSA-N 0 3 308.223 3.577 20 30 DHEDHN C=CCOc1ccc(CNCc2cccc(-n3cccn3)c2)cc1 ZINC000560496701 332346696 /nfs/dbraw/zinc/34/66/96/332346696.db2.gz CBTHVKQFFUXBAC-UHFFFAOYSA-N 0 3 319.408 3.727 20 30 DHEDHN C=CCC[C@H](NCCNC(=O)c1cccc(C)c1)c1ccco1 ZINC000560514015 332348520 /nfs/dbraw/zinc/34/85/20/332348520.db2.gz AYOLNBGRWCQVRT-KRWDZBQOSA-N 0 3 312.413 3.615 20 30 DHEDHN C=CCC[C@H](NCCCc1c(C)nn(C)c1C)c1ccco1 ZINC000560544186 332357333 /nfs/dbraw/zinc/35/73/33/332357333.db2.gz GVIDYDZUXPLVHB-KRWDZBQOSA-N 0 3 301.434 3.860 20 30 DHEDHN Fc1ccc(CC2(NCC#Cc3ccccc3)CCOCC2)cc1 ZINC000293403640 335105474 /nfs/dbraw/zinc/10/54/74/335105474.db2.gz YHZGQHVOVYMBNY-UHFFFAOYSA-N 0 3 323.411 3.559 20 30 DHEDHN C=C[C@@](C)(CC)c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000561897048 332513526 /nfs/dbraw/zinc/51/35/26/332513526.db2.gz MXGGJFTUNQQXCG-SFHVURJKSA-N 0 3 315.417 3.531 20 30 DHEDHN CC[C@@]1(CNCc2cccc(C#N)c2)OCCc2ccccc21 ZINC000569859420 332687410 /nfs/dbraw/zinc/68/74/10/332687410.db2.gz FSGBASDFFNUKAZ-FQEVSTJZSA-N 0 3 306.409 3.526 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000152740260 332705468 /nfs/dbraw/zinc/70/54/68/332705468.db2.gz QACCORPMOZJWGS-IRXDYDNUSA-N 0 3 321.424 3.673 20 30 DHEDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCCC(C)(C)C#N ZINC000175399254 333098524 /nfs/dbraw/zinc/09/85/24/333098524.db2.gz BHOKVFRZTPOMBE-LHSJRXKWSA-N 0 3 306.475 3.747 20 30 DHEDHN C=CCOc1ccc(CN(C(C)C)[C@H]2CCOC2)cc1Cl ZINC000462879444 333128933 /nfs/dbraw/zinc/12/89/33/333128933.db2.gz XOHGYIJBYJFZBM-HNNXBMFYSA-N 0 3 309.837 3.904 20 30 DHEDHN CC(C)(CCC#N)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000177714496 333131719 /nfs/dbraw/zinc/13/17/19/333131719.db2.gz CFVABCQNVGUBNX-UHFFFAOYSA-N 0 3 308.347 3.976 20 30 DHEDHN CO[C@H](CN[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000181551656 333170163 /nfs/dbraw/zinc/17/01/63/333170163.db2.gz MSYAJGCWKLYWCE-DNVCBOLYSA-N 0 3 310.397 3.627 20 30 DHEDHN C[C@H](N[C@H](CCCO)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181798552 333172468 /nfs/dbraw/zinc/17/24/68/333172468.db2.gz PEQGMJNWCDNUBM-OXJNMPFZSA-N 0 3 324.424 3.753 20 30 DHEDHN CC[C@H](CC#N)NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000184081298 333191758 /nfs/dbraw/zinc/19/17/58/333191758.db2.gz YZUJZXUOCWSANT-CYBMUJFWSA-N 0 3 323.843 3.725 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000185780253 333214106 /nfs/dbraw/zinc/21/41/06/333214106.db2.gz CLZRAZBHSRXAOO-TZMCWYRMSA-N 0 3 312.335 3.800 20 30 DHEDHN CCOc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1OC(F)F ZINC000185856742 333215119 /nfs/dbraw/zinc/21/51/19/333215119.db2.gz PKEOBKCTXLMDSD-GXTWGEPZSA-N 0 3 324.371 3.859 20 30 DHEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000185878082 333215144 /nfs/dbraw/zinc/21/51/44/333215144.db2.gz MNUDXSPOTWBJLA-LPOXYFBYSA-N 0 3 322.811 3.981 20 30 DHEDHN CCOCCOc1cc(C)ccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185861940 333215278 /nfs/dbraw/zinc/21/52/78/333215278.db2.gz FFWQPMPGEFIXDE-FUHWJXTLSA-N 0 3 316.445 3.582 20 30 DHEDHN COCCCOc1cc(C)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185862129 333215362 /nfs/dbraw/zinc/21/53/62/333215362.db2.gz TXHSBFGANSWLKH-WMZOPIPTSA-N 0 3 316.445 3.582 20 30 DHEDHN COc1ccccc1[C@H](CN[C@@H]1CCC[C@H](C#N)C1)OC(C)C ZINC000193299197 333301195 /nfs/dbraw/zinc/30/11/95/333301195.db2.gz DXXBSLPFLRJLMD-FCEWJHQRSA-N 0 3 316.445 3.833 20 30 DHEDHN C=CCOc1cccc(CN[C@@H]2C[C@@H](CO)c3ccccc32)c1 ZINC000364426279 333313486 /nfs/dbraw/zinc/31/34/86/333313486.db2.gz AURFJJUBQNCNKF-OXJNMPFZSA-N 0 3 309.409 3.562 20 30 DHEDHN CCCCCCCN1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC000364883327 333332728 /nfs/dbraw/zinc/33/27/28/333332728.db2.gz URTUAHIRCGKTRN-OAHLLOKOSA-N 0 3 306.454 3.518 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367446415 333332990 /nfs/dbraw/zinc/33/29/90/333332990.db2.gz DVHRWKFCDKAAPF-QGZVFWFLSA-N 0 3 323.358 3.559 20 30 DHEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(Br)ccc1F ZINC000320211374 333452613 /nfs/dbraw/zinc/45/26/13/333452613.db2.gz FIUTYHLIIFTLCF-PWSUYJOCSA-N 0 3 316.214 3.566 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000296439131 335144431 /nfs/dbraw/zinc/14/44/31/335144431.db2.gz MFXBCQSOFDJCBO-HNNXBMFYSA-N 0 3 322.408 3.508 20 30 DHEDHN C=CCOCCN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000339112610 333508833 /nfs/dbraw/zinc/50/88/33/333508833.db2.gz LZWVJQXTYUSZRG-UHFFFAOYSA-N 0 3 300.402 3.518 20 30 DHEDHN CC[C@@H](NCc1cccc(N2CCC2=O)c1)c1ccc(C#N)cc1 ZINC000442827079 335156359 /nfs/dbraw/zinc/15/63/59/335156359.db2.gz YJKQTEBYTUBBDF-LJQANCHMSA-N 0 3 319.408 3.536 20 30 DHEDHN C=CCC[C@@H](CO)NCc1cc2cc(Br)ccc2o1 ZINC000571464541 333791715 /nfs/dbraw/zinc/79/17/15/333791715.db2.gz XHLBIFGBSPEJSM-ZDUSSCGKSA-N 0 3 324.218 3.612 20 30 DHEDHN C=CC[C@@H](C)[C@@H](C)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186637535 335162486 /nfs/dbraw/zinc/16/24/86/335162486.db2.gz BYJCDAFXWWNZDM-LBTNJELSSA-N 0 3 301.409 3.839 20 30 DHEDHN C=CCCN(C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000343443877 335164937 /nfs/dbraw/zinc/16/49/37/335164937.db2.gz OWYPXRSFFHTFJL-UHFFFAOYSA-N 0 3 320.234 3.643 20 30 DHEDHN C[C@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)CS1 ZINC000414492359 333996350 /nfs/dbraw/zinc/99/63/50/333996350.db2.gz AJFZVPRIQFSBNB-CABZTGNLSA-N 0 3 300.349 3.561 20 30 DHEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)CS1 ZINC000414492363 333996440 /nfs/dbraw/zinc/99/64/40/333996440.db2.gz AJFZVPRIQFSBNB-JOYOIKCWSA-N 0 3 300.349 3.561 20 30 DHEDHN C=CCOc1cccc(CN2CC3(CCOCC3)[C@@H]2C(C)C)c1 ZINC000414531366 334008666 /nfs/dbraw/zinc/00/86/66/334008666.db2.gz RXIZNESZQBBYNS-IBGZPJMESA-N 0 3 315.457 3.888 20 30 DHEDHN N#Cc1cccc(CN(Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000271088806 334018144 /nfs/dbraw/zinc/01/81/44/334018144.db2.gz FHMCVDWZUHYXSZ-UHFFFAOYSA-N 0 3 324.399 3.879 20 30 DHEDHN CC(C)[C@H](NCCC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000271990660 334029469 /nfs/dbraw/zinc/02/94/69/334029469.db2.gz DYAJUXFOGKRQEM-KRWDZBQOSA-N 0 3 302.418 3.684 20 30 DHEDHN Cc1ccnc(NC[C@@H](c2cccs2)N2CCCC2)c1C#N ZINC000343515062 335173854 /nfs/dbraw/zinc/17/38/54/335173854.db2.gz SYYNMDIIXPKJFM-HNNXBMFYSA-N 0 3 312.442 3.572 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2cc(Br)ccc2F)C1 ZINC000274196233 334056695 /nfs/dbraw/zinc/05/66/95/334056695.db2.gz JNSBWGROBRWSLO-GXFFZTMASA-N 0 3 311.198 3.760 20 30 DHEDHN COc1ccc(C[C@@H](C)CN2CCC(C)(C#N)CC2)cc1F ZINC000274436395 334061145 /nfs/dbraw/zinc/06/11/45/334061145.db2.gz PDXBWFAPDDKITF-CQSZACIVSA-N 0 3 304.409 3.639 20 30 DHEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1Br ZINC000274635271 334064364 /nfs/dbraw/zinc/06/43/64/334064364.db2.gz PTGZFTNUGGFOJH-DMDPSCGWSA-N 0 3 323.234 3.801 20 30 DHEDHN CCCCCCCC[NH2+][C@@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000275255684 334070353 /nfs/dbraw/zinc/07/03/53/334070353.db2.gz ZDAUSTLGAMAMBB-CYBMUJFWSA-N 0 3 320.441 3.502 20 30 DHEDHN CCCCCCCCN[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000275255684 334070354 /nfs/dbraw/zinc/07/03/54/334070354.db2.gz ZDAUSTLGAMAMBB-CYBMUJFWSA-N 0 3 320.441 3.502 20 30 DHEDHN CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(OCC#N)cc1 ZINC000276254908 334075370 /nfs/dbraw/zinc/07/53/70/334075370.db2.gz NYKHOTKDGFSOGM-CQSZACIVSA-N 0 3 312.335 3.752 20 30 DHEDHN CC(C)(C#N)CCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000278796514 334101233 /nfs/dbraw/zinc/10/12/33/334101233.db2.gz FLGGQTZLHFRRHO-UHFFFAOYSA-N 0 3 302.393 3.660 20 30 DHEDHN Cc1ccnc(OC2CCN(CCCCC(C)(C)C#N)CC2)c1 ZINC000278964236 334104260 /nfs/dbraw/zinc/10/42/60/334104260.db2.gz ZVJWMVUIRIDKLN-UHFFFAOYSA-N 0 3 315.461 3.953 20 30 DHEDHN CC(C)N1CC[C@@H](NCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279335491 334108060 /nfs/dbraw/zinc/10/80/60/334108060.db2.gz UJTVMJZIUYMDSR-IAGOWNOFSA-N 0 3 323.843 3.896 20 30 DHEDHN CCC[C@]1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280540684 334118210 /nfs/dbraw/zinc/11/82/10/334118210.db2.gz ZEGHCLWXIZVZDM-AZUAARDMSA-N 0 3 323.440 3.669 20 30 DHEDHN C=CC[C@@H](C)[C@H](C)NCc1ccncc1OCC(F)(F)F ZINC000343609477 335176926 /nfs/dbraw/zinc/17/69/26/335176926.db2.gz PEZQIKVRNPPCJM-NEPJUHHUSA-N 0 3 302.340 3.713 20 30 DHEDHN CC[N@H+](CCCC1(C#N)CCOCC1)[C@@H](C)c1cccc([O-])c1 ZINC000282112553 334131393 /nfs/dbraw/zinc/13/13/93/334131393.db2.gz XCDSGOGCSHXYBT-INIZCTEOSA-N 0 3 316.445 3.876 20 30 DHEDHN CC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H](C)c1cccc([O-])c1 ZINC000282112553 334131394 /nfs/dbraw/zinc/13/13/94/334131394.db2.gz XCDSGOGCSHXYBT-INIZCTEOSA-N 0 3 316.445 3.876 20 30 DHEDHN CC(C)(C#N)CCCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000282436762 334134646 /nfs/dbraw/zinc/13/46/46/334134646.db2.gz JISRXKYOADVUOF-SFHVURJKSA-N 0 3 323.440 3.509 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000284531171 334143762 /nfs/dbraw/zinc/14/37/62/334143762.db2.gz ZZSUIPRUTGOSJD-KMUNFCNLSA-N 0 3 320.234 3.577 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289372199 334164588 /nfs/dbraw/zinc/16/45/88/334164588.db2.gz AXTJROVBUGEUGF-QZTJIDSGSA-N 0 3 312.457 3.877 20 30 DHEDHN CC(C)(C#N)CCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000292233643 334185707 /nfs/dbraw/zinc/18/57/07/334185707.db2.gz PRRAEDMLTKVLDC-MOPGFXCFSA-N 0 3 308.425 3.991 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000292773434 334192179 /nfs/dbraw/zinc/19/21/79/334192179.db2.gz KSIOCELCONXOKA-SJORKVTESA-N 0 3 319.399 3.514 20 30 DHEDHN N#CC[C@@H]1CC[C@H](NCc2c(F)cccc2Br)C1 ZINC000294994481 334215313 /nfs/dbraw/zinc/21/53/13/334215313.db2.gz HWHQBLNAQCZFPU-QWRGUYRKSA-N 0 3 311.198 3.760 20 30 DHEDHN COc1ccc(CN[C@H]2CC[C@@H](CC#N)C2)c(Cl)c1OC ZINC000295077440 334217653 /nfs/dbraw/zinc/21/76/53/334217653.db2.gz PYKOBDAYKRPDQN-AAEUAGOBSA-N 0 3 308.809 3.529 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000299309357 334254648 /nfs/dbraw/zinc/25/46/48/334254648.db2.gz DJRIEQHEEVGISI-HXUWFJFHSA-N 0 3 323.415 3.953 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000299358761 334255012 /nfs/dbraw/zinc/25/50/12/334255012.db2.gz CPCYKRVRKDJTTI-INIZCTEOSA-N 0 3 323.440 3.896 20 30 DHEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2cnn(C)c2)cc1 ZINC000163948176 334266014 /nfs/dbraw/zinc/26/60/14/334266014.db2.gz KLEXLZUFRFYJKF-ZIAGYGMSSA-N 0 3 319.836 3.963 20 30 DHEDHN COc1cccc(C[C@H]2CCCN2Cc2cc(C#N)cs2)c1 ZINC000535080038 334365636 /nfs/dbraw/zinc/36/56/36/334365636.db2.gz GTOKOKWHXVGOMG-MRXNPFEDSA-N 0 3 312.438 3.835 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](CC)c1ccc(C)cc1 ZINC000341036298 334403930 /nfs/dbraw/zinc/40/39/30/334403930.db2.gz JQFNJFOSYHJTHB-SJLPKXTDSA-N 0 3 302.462 3.849 20 30 DHEDHN COc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc(OC)c1 ZINC000341759317 334477881 /nfs/dbraw/zinc/47/78/81/334477881.db2.gz TXSBAEURTOYROX-HXUWFJFHSA-N 0 3 322.408 3.743 20 30 DHEDHN CCc1nn(C)c(CC)c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341907209 334490940 /nfs/dbraw/zinc/49/09/40/334490940.db2.gz NCYAFBOWKAPHRH-LJQANCHMSA-N 0 3 322.456 3.584 20 30 DHEDHN C=CCC[C@H](NCC(=O)N(CC(C)C)C1CC1)c1ccccc1 ZINC000341924900 334492778 /nfs/dbraw/zinc/49/27/78/334492778.db2.gz GUIGILXMKHMQRR-IBGZPJMESA-N 0 3 314.473 3.931 20 30 DHEDHN C=CCC[C@H](NCC(=O)N(C)Cc1ccccc1)c1ccccc1 ZINC000341931494 334495947 /nfs/dbraw/zinc/49/59/47/334495947.db2.gz PIXYFLFCAXIPNM-FQEVSTJZSA-N 0 3 322.452 3.942 20 30 DHEDHN Cc1cccc(NC(=O)[C@H](C)N[C@H]2CCC(=O)NC23CCC3)c1 ZINC000328721786 334748332 /nfs/dbraw/zinc/74/83/32/334748332.db2.gz XCFUXLTZYFTTRV-ZFWWWQNUSA-N 0 3 315.417 3.603 20 30 DHEDHN CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443995308 338466080 /nfs/dbraw/zinc/46/60/80/338466080.db2.gz GXZFUAFZAHKUSB-IFXJQAMLSA-N 0 3 312.388 3.872 20 30 DHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(Br)cc1 ZINC000189590590 334902479 /nfs/dbraw/zinc/90/24/79/334902479.db2.gz JUQRDVSFTGFOTE-LLVKDONJSA-N 0 3 318.218 3.510 20 30 DHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccccc1-n1cccn1 ZINC000343702091 335189094 /nfs/dbraw/zinc/18/90/94/335189094.db2.gz YEKOZDDKIVLYAM-INIZCTEOSA-N 0 3 316.408 3.789 20 30 DHEDHN C=C(CC)CN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343740983 335189807 /nfs/dbraw/zinc/18/98/07/335189807.db2.gz VYHCKVQEIJZPJI-GFCCVEGCSA-N 0 3 301.356 3.585 20 30 DHEDHN CC(=O)c1ccc2c(c1)CCN(Cc1ccc(CC#N)cc1)CC2 ZINC000343735393 335192855 /nfs/dbraw/zinc/19/28/55/335192855.db2.gz QSIQPTFRDRMFMZ-UHFFFAOYSA-N 0 3 318.420 3.556 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOCc1ccc(C#N)cc1 ZINC000344101532 335223015 /nfs/dbraw/zinc/22/30/15/335223015.db2.gz FGAFFLLYKXARGE-MRXNPFEDSA-N 0 3 319.408 3.640 20 30 DHEDHN N#Cc1csc(CNCc2ccc(-c3ccncc3)cc2)c1 ZINC000344433994 335253538 /nfs/dbraw/zinc/25/35/38/335253538.db2.gz AKMYKUJRJJBFJP-UHFFFAOYSA-N 0 3 305.406 3.972 20 30 DHEDHN CO[C@@H](CNCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000344717793 335275147 /nfs/dbraw/zinc/27/51/47/335275147.db2.gz RMDCMDOSBHWKGB-HNNXBMFYSA-N 0 3 306.818 3.750 20 30 DHEDHN N#CCCCN[C@@H]1CCCOc2cc(Br)ccc21 ZINC000346791597 335435930 /nfs/dbraw/zinc/43/59/30/335435930.db2.gz JJCSMOCZKZKCMK-CYBMUJFWSA-N 0 3 309.207 3.556 20 30 DHEDHN COc1cc(CNCc2ccccc2C(F)(F)F)ccc1C#N ZINC000323821719 335638969 /nfs/dbraw/zinc/63/89/69/335638969.db2.gz KECHIBNKWHFDCX-UHFFFAOYSA-N 0 3 320.314 3.875 20 30 DHEDHN COc1ccc(CNC2C(C)(C)C2(C)C)cc1OCCCC#N ZINC000349193696 335640934 /nfs/dbraw/zinc/64/09/34/335640934.db2.gz QLACWYBLMDECLV-UHFFFAOYSA-N 0 3 316.445 3.902 20 30 DHEDHN Cc1nc(C(=O)NCCN2CCC3(CCCCC3)CC2)c(C)o1 ZINC000329188454 335949603 /nfs/dbraw/zinc/94/96/03/335949603.db2.gz QLKFSSCIPIGSHQ-UHFFFAOYSA-N 0 3 319.449 3.642 20 30 DHEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H](C2CC2)C1 ZINC000329628348 336016282 /nfs/dbraw/zinc/01/62/82/336016282.db2.gz HGBBGRJBZXRWTN-JSGCOSHPSA-N 0 3 316.401 3.514 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]2CCCC)CC1 ZINC000520693697 336021265 /nfs/dbraw/zinc/02/12/65/336021265.db2.gz MOOGVFFQNVWMFQ-SJLPKXTDSA-N 0 3 321.509 3.685 20 30 DHEDHN Cc1ccc(NC(=O)[C@H](C)N2CCCCCC2)c2n[nH]cc21 ZINC000329883011 336092211 /nfs/dbraw/zinc/09/22/11/336092211.db2.gz QOSWYXBLPQWGGW-ZDUSSCGKSA-N 0 3 300.406 3.724 20 30 DHEDHN O=C(NCCN1CCCCCC1)c1coc(C2CCCC2)n1 ZINC000330000888 336104802 /nfs/dbraw/zinc/10/48/02/336104802.db2.gz XGKWFYQSJMNZQZ-UHFFFAOYSA-N 0 3 305.422 3.513 20 30 DHEDHN O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C1CCCC1 ZINC000330145719 336117988 /nfs/dbraw/zinc/11/79/88/336117988.db2.gz HLOZBPKQZCFXMI-GOSISDBHSA-N 0 3 324.428 3.867 20 30 DHEDHN CC1(C)CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332698525 336179145 /nfs/dbraw/zinc/17/91/45/336179145.db2.gz VOLAMGADYUXKLO-OAHLLOKOSA-N 0 3 310.401 3.667 20 30 DHEDHN N#Cc1ccc(CNCCOC2CCCC2)c(C(F)(F)F)c1 ZINC000352831918 336269692 /nfs/dbraw/zinc/26/96/92/336269692.db2.gz DNGCEZIBNAHTMI-UHFFFAOYSA-N 0 3 312.335 3.626 20 30 DHEDHN CSC1(CNCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352870643 336284690 /nfs/dbraw/zinc/28/46/90/336284690.db2.gz KMZBVNSJGSDDLF-UHFFFAOYSA-N 0 3 300.349 3.562 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc2c[nH]nc21 ZINC000582231131 336285134 /nfs/dbraw/zinc/28/51/34/336285134.db2.gz NQRCBORCWBBOCS-SFHVURJKSA-N 0 3 302.381 3.602 20 30 DHEDHN C/C(=C\c1ccccc1OC(F)F)CNCC1(CC#N)CC1 ZINC000352871788 336286215 /nfs/dbraw/zinc/28/62/15/336286215.db2.gz POADNDADWDXKPN-JLHYYAGUSA-N 0 3 306.356 3.975 20 30 DHEDHN CN(C)[C@@H](CNc1cccc(F)c1C#N)c1cccc(F)c1 ZINC000301057816 336287686 /nfs/dbraw/zinc/28/76/86/336287686.db2.gz IMVZNCGYZZTINR-KRWDZBQOSA-N 0 3 301.340 3.551 20 30 DHEDHN COc1ccc([C@H](CNc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000301113557 336290632 /nfs/dbraw/zinc/29/06/32/336290632.db2.gz XUOHDXAVHIJVGB-FQEVSTJZSA-N 0 3 321.424 3.816 20 30 DHEDHN CN(C)[C@@H](CNc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000301169420 336293138 /nfs/dbraw/zinc/29/31/38/336293138.db2.gz WPGQXSBXGVWFHA-KRWDZBQOSA-N 0 3 301.340 3.551 20 30 DHEDHN CCN(CC)[C@H](CNc1ccc(Cl)c(C#N)n1)c1ccco1 ZINC000301281378 336298537 /nfs/dbraw/zinc/29/85/37/336298537.db2.gz XRRBKZOMSXXSEN-CQSZACIVSA-N 0 3 318.808 3.695 20 30 DHEDHN CCN(CC)[C@@H](CNc1cccc(C#N)n1)c1ccsc1 ZINC000301296655 336299532 /nfs/dbraw/zinc/29/95/32/336299532.db2.gz XZXPHZKEXNSWLS-HNNXBMFYSA-N 0 3 300.431 3.510 20 30 DHEDHN C[C@@H]1CN(CCCCNc2cc(Cl)ccc2C#N)C[C@@H](C)O1 ZINC000301710419 336324873 /nfs/dbraw/zinc/32/48/73/336324873.db2.gz HSECTMDZLKMJKB-ZIAGYGMSSA-N 0 3 321.852 3.513 20 30 DHEDHN C[C@H]1CN(CCCCNc2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000301721840 336325546 /nfs/dbraw/zinc/32/55/46/336325546.db2.gz NEMLSYVFSDCRBS-KBPBESRZSA-N 0 3 321.852 3.513 20 30 DHEDHN CN(C)[C@@H](CNc1ccc2cc(C#N)ccc2n1)c1cccs1 ZINC000301833291 336332999 /nfs/dbraw/zinc/33/29/99/336332999.db2.gz UTPUEHZVTVHJLD-INIZCTEOSA-N 0 3 322.437 3.883 20 30 DHEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000302077171 336347376 /nfs/dbraw/zinc/34/73/76/336347376.db2.gz AGPOUHUYVOWBSU-OAHLLOKOSA-N 0 3 321.424 3.693 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN(CC)CC(C)C ZINC000514113003 336365237 /nfs/dbraw/zinc/36/52/37/336365237.db2.gz MKQSJWHRWVVZIL-UHFFFAOYSA-N 0 3 306.475 3.881 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1cc(OC)c(OC)cc1C ZINC000352931829 336377994 /nfs/dbraw/zinc/37/79/94/336377994.db2.gz OFBGVKURFTZVLS-UHFFFAOYSA-N 0 3 315.413 3.836 20 30 DHEDHN COc1cc(CN[C@H]2CCCNc3ccccc32)ccc1C#N ZINC000353649015 336431515 /nfs/dbraw/zinc/43/15/15/336431515.db2.gz MWNYCFPKLXGPDG-SFHVURJKSA-N 0 3 307.397 3.603 20 30 DHEDHN CO[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000356182890 336539698 /nfs/dbraw/zinc/53/96/98/336539698.db2.gz JLTCSPISSDNKNC-GJZGRUSLSA-N 0 3 312.335 3.624 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](CO)c1ccc(F)cc1 ZINC000360665439 336718353 /nfs/dbraw/zinc/71/83/53/336718353.db2.gz XMCVFMLITWWFGB-UXHICEINSA-N 0 3 324.399 3.788 20 30 DHEDHN COc1ccc(CN[C@H]2CCCCc3cc(C#N)ccc32)cc1O ZINC000360830128 336723451 /nfs/dbraw/zinc/72/34/51/336723451.db2.gz CKDKWOWLSVBIDF-SFHVURJKSA-N 0 3 322.408 3.830 20 30 DHEDHN C[C@@H](NC[C@@]1(C)OCCc2sccc21)c1ccc(C#N)cc1 ZINC000368095777 336837955 /nfs/dbraw/zinc/83/79/55/336837955.db2.gz SFCINJQMOIDKLM-FZKQIMNGSA-N 0 3 312.438 3.758 20 30 DHEDHN C#Cc1ccc(CN[C@H](C)c2ccc(-c3cncnc3)cc2)cc1 ZINC000368586674 336848689 /nfs/dbraw/zinc/84/86/89/336848689.db2.gz YNBDCXIMUZDEJR-MRXNPFEDSA-N 0 3 313.404 3.976 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000373343817 336956804 /nfs/dbraw/zinc/95/68/04/336956804.db2.gz FWBWXQBWBKVMDH-QGZVFWFLSA-N 0 3 314.473 3.678 20 30 DHEDHN C[C@H](N[C@@H]1CCCN(c2ccccc2C#N)C1)c1cccc(O)c1 ZINC000374233135 336984436 /nfs/dbraw/zinc/98/44/36/336984436.db2.gz YOUZCMNXPJQGFH-MAUKXSAKSA-N 0 3 321.424 3.583 20 30 DHEDHN Cc1cccc([C@@H]2CCCN2CCCC2(C#N)CCOCC2)n1 ZINC000375596147 337014133 /nfs/dbraw/zinc/01/41/33/337014133.db2.gz JLEFLINLPDBRPU-SFHVURJKSA-N 0 3 313.445 3.628 20 30 DHEDHN N#Cc1cccc(CN2CCC[C@H]2CC(=O)c2ccccc2)c1 ZINC000122624290 337016848 /nfs/dbraw/zinc/01/68/48/337016848.db2.gz XWRWRSBXQYAGET-IBGZPJMESA-N 0 3 304.393 3.796 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCC23CCOCC3)cc1 ZINC000375712693 337017497 /nfs/dbraw/zinc/01/74/97/337017497.db2.gz UCPDLTFLAFRAPC-MRXNPFEDSA-N 0 3 323.358 3.606 20 30 DHEDHN Cc1noc(C)c1CO[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000375718453 337017640 /nfs/dbraw/zinc/01/76/40/337017640.db2.gz KJXYQVOTGYVDNM-INIZCTEOSA-N 0 3 319.449 3.602 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC=C(c3ccco3)C2)cc1 ZINC000377699430 337058938 /nfs/dbraw/zinc/05/89/38/337058938.db2.gz MHSCVJQLFXBBJA-HNNXBMFYSA-N 0 3 308.381 3.860 20 30 DHEDHN C[C@H](NCc1ccccc1-c1cnn(C)c1)c1ccc(C#N)s1 ZINC000378451948 337073145 /nfs/dbraw/zinc/07/31/45/337073145.db2.gz LAWQVYLJILSRKD-ZDUSSCGKSA-N 0 3 322.437 3.871 20 30 DHEDHN C[C@H](NCc1ccccc1-c1cnn(C)c1)c1cccc(C#N)c1 ZINC000378459347 337073293 /nfs/dbraw/zinc/07/32/93/337073293.db2.gz ZIKZKKAQZAZEPL-HNNXBMFYSA-N 0 3 316.408 3.810 20 30 DHEDHN C=C(C)COCCN[C@H](C)c1cc(Br)cs1 ZINC000194113887 337081614 /nfs/dbraw/zinc/08/16/14/337081614.db2.gz IUUGACNNPHWPML-SNVBAGLBSA-N 0 3 304.253 3.754 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cccc3ccccc32)CC1 ZINC000171679978 337088333 /nfs/dbraw/zinc/08/83/33/337088333.db2.gz WZFIMZAFBVDBNU-UHFFFAOYSA-N 0 3 309.413 3.612 20 30 DHEDHN C=CC[C@H](CC)NCc1cn2ccc(Br)cc2n1 ZINC000582634652 337116537 /nfs/dbraw/zinc/11/65/37/337116537.db2.gz DMXFGRHFGRUNOO-LBPRGKRZSA-N 0 3 308.223 3.541 20 30 DHEDHN C=CCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175731977 337147041 /nfs/dbraw/zinc/14/70/41/337147041.db2.gz SKVMTBAFCJNUAE-MJGOQNOKSA-N 0 3 314.473 3.854 20 30 DHEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418342712 337150814 /nfs/dbraw/zinc/15/08/14/337150814.db2.gz FHZVGBURBJLJKE-QZTJIDSGSA-N 0 3 315.461 3.560 20 30 DHEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1ncc(C#N)cc1Cl ZINC000180346484 337173861 /nfs/dbraw/zinc/17/38/61/337173861.db2.gz BCQCEUSJBRKSBO-ZDUSSCGKSA-N 0 3 314.820 3.539 20 30 DHEDHN CCOCCN(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000181483246 337182379 /nfs/dbraw/zinc/18/23/79/337182379.db2.gz PHAKMKXBTJPIFZ-UHFFFAOYSA-N 0 3 324.424 3.606 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccsc2Cl)CC1 ZINC000189423752 337279652 /nfs/dbraw/zinc/27/96/52/337279652.db2.gz QQOJKPAJTHZLFO-UHFFFAOYSA-N 0 3 313.854 3.564 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000189924546 337283613 /nfs/dbraw/zinc/28/36/13/337283613.db2.gz SVCWOYJXYIEGEC-WMLDXEAASA-N 0 3 306.475 3.604 20 30 DHEDHN CCOc1cccc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000190920118 337291487 /nfs/dbraw/zinc/29/14/87/337291487.db2.gz DRXYTCYTTGBNRO-HNNXBMFYSA-N 0 3 317.348 3.519 20 30 DHEDHN Cn1cc(CN(C2CC2)[C@@H]2CCCc3ccccc32)cc1C#N ZINC000191241420 337295130 /nfs/dbraw/zinc/29/51/30/337295130.db2.gz FGCSFNKXXHJVMB-HXUWFJFHSA-N 0 3 305.425 3.939 20 30 DHEDHN COc1cc(CCC2CCN(CCCC#N)CC2)cc(OC)c1 ZINC000054993220 337454470 /nfs/dbraw/zinc/45/44/70/337454470.db2.gz KFIPHIWRERRVQC-UHFFFAOYSA-N 0 3 316.445 3.652 20 30 DHEDHN COc1cccc(NC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000237251429 337468390 /nfs/dbraw/zinc/46/83/90/337468390.db2.gz HVDDTHGCDQZDPT-UHFFFAOYSA-N 0 3 321.424 3.643 20 30 DHEDHN N#Cc1cccc(OCCN[C@@H](CC(F)F)c2ccccc2)c1 ZINC000420996787 337518170 /nfs/dbraw/zinc/51/81/70/337518170.db2.gz RAPSRFMRAUGXTK-KRWDZBQOSA-N 0 3 316.351 3.923 20 30 DHEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000248794197 337567468 /nfs/dbraw/zinc/56/74/68/337567468.db2.gz JAYLUWIXJDLIAP-BMFZPTHFSA-N 0 3 300.402 3.581 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H](C)c2cccc(OC)c2)cc1 ZINC000264975996 337633036 /nfs/dbraw/zinc/63/30/36/337633036.db2.gz SGPADOLXCIUMEJ-INIZCTEOSA-N 0 3 309.409 3.948 20 30 DHEDHN CCCN(CCC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000079873405 337633664 /nfs/dbraw/zinc/63/36/64/337633664.db2.gz CIXFEVITRIXNJK-UHFFFAOYSA-N 0 3 315.461 3.672 20 30 DHEDHN C#CCC1(C(=O)Nc2ccccc2CCN(C)C)CCCCC1 ZINC000276669604 337665451 /nfs/dbraw/zinc/66/54/51/337665451.db2.gz OYMJFHKCKLMEFB-UHFFFAOYSA-N 0 3 312.457 3.703 20 30 DHEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276791517 337665585 /nfs/dbraw/zinc/66/55/85/337665585.db2.gz SVVUCYDITVLCFV-MELADBBJSA-N 0 3 315.417 3.997 20 30 DHEDHN C#CCOc1ccccc1CN[C@H](CC)c1ccc(C#N)cc1 ZINC000278710391 337667779 /nfs/dbraw/zinc/66/77/79/337667779.db2.gz LOYZUAKIULQJHO-LJQANCHMSA-N 0 3 304.393 3.811 20 30 DHEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000424101845 337736662 /nfs/dbraw/zinc/73/66/62/337736662.db2.gz KLNPURQVBRZXMR-RTBURBONSA-N 0 3 321.424 3.524 20 30 DHEDHN C[C@@H](NCCC(C)(C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000424133056 337752152 /nfs/dbraw/zinc/75/21/52/337752152.db2.gz WVWJDZCHFVSICG-CQSZACIVSA-N 0 3 316.445 3.967 20 30 DHEDHN COc1cccc([C@H](CN[C@H]2CCc3ccc(C#N)cc32)OC)c1 ZINC000527924853 337775709 /nfs/dbraw/zinc/77/57/09/337775709.db2.gz IFSJMCWXFGZIDN-PMACEKPBSA-N 0 3 322.408 3.531 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(F)c(Cl)c1Cl ZINC000424165208 337789102 /nfs/dbraw/zinc/78/91/02/337789102.db2.gz ADMQAFLJGHXMDA-CABZTGNLSA-N 0 3 304.192 3.813 20 30 DHEDHN CCc1nc(C)c([C@H](C)NCCOc2ccc(C#N)cc2)s1 ZINC000090106617 337878133 /nfs/dbraw/zinc/87/81/33/337878133.db2.gz MXQITOPYYBXSPG-LBPRGKRZSA-N 0 3 315.442 3.615 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000424671195 337945489 /nfs/dbraw/zinc/94/54/89/337945489.db2.gz GMICKHQJOLWDAX-INIZCTEOSA-N 0 3 314.473 3.931 20 30 DHEDHN Cc1cc(NC[C@H](c2cccs2)N2CCCC2)cc(C#N)n1 ZINC000515686261 337995070 /nfs/dbraw/zinc/99/50/70/337995070.db2.gz PCCSMXRDUCKLQJ-MRXNPFEDSA-N 0 3 312.442 3.572 20 30 DHEDHN N#Cc1cccc(OCCN(CCC(F)(F)F)CC2CC2)c1 ZINC000084138626 338000246 /nfs/dbraw/zinc/00/02/46/338000246.db2.gz XOKVMGQLWMKZAF-UHFFFAOYSA-N 0 3 312.335 3.601 20 30 DHEDHN N#Cc1cccnc1S[C@H]1CCCN(Cc2ccccc2)C1 ZINC000425284429 338015667 /nfs/dbraw/zinc/01/56/67/338015667.db2.gz QVCOBSLTTSELSS-KRWDZBQOSA-N 0 3 309.438 3.710 20 30 DHEDHN C=CC[C@H](C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)c1ccccc1 ZINC000426649906 338037044 /nfs/dbraw/zinc/03/70/44/338037044.db2.gz YWVRTCALSHUGFU-LMMKCTJWSA-N 0 3 314.473 3.583 20 30 DHEDHN CCCN(Cc1cccc(F)c1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000428220053 338042883 /nfs/dbraw/zinc/04/28/83/338042883.db2.gz ZZZBQNCOSSTLGO-BMGDILEWSA-N 0 3 316.420 3.723 20 30 DHEDHN Cc1cc(CC(C)(C)NCC2(C#N)CC2)ccc1Br ZINC000429229044 338073969 /nfs/dbraw/zinc/07/39/69/338073969.db2.gz BGHBTSJKGCEWQI-UHFFFAOYSA-N 0 3 321.262 3.972 20 30 DHEDHN Cc1cccnc1OC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000429726801 338088565 /nfs/dbraw/zinc/08/85/65/338088565.db2.gz AEXVPDMCZVWQHY-MRXNPFEDSA-N 0 3 321.424 3.866 20 30 DHEDHN CC(C)(C#N)CCCN(CCc1ccccn1)Cc1cccnc1 ZINC000430304409 338104724 /nfs/dbraw/zinc/10/47/24/338104724.db2.gz PBEVQPINLAMAPH-UHFFFAOYSA-N 0 3 322.456 3.851 20 30 DHEDHN Cc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)n1C ZINC000430596211 338109560 /nfs/dbraw/zinc/10/95/60/338109560.db2.gz JBAUODLQSJOUGM-LLVKDONJSA-N 0 3 301.415 3.578 20 30 DHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(Br)c(F)c1 ZINC000430745413 338113161 /nfs/dbraw/zinc/11/31/61/338113161.db2.gz ZCDOLIPKXGABMM-SNVBAGLBSA-N 0 3 311.198 3.933 20 30 DHEDHN N#CCC1(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000430754880 338113788 /nfs/dbraw/zinc/11/37/88/338113788.db2.gz ONJTZPKVOIHRGA-CQSZACIVSA-N 0 3 310.319 3.856 20 30 DHEDHN N#CCC1(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000430754879 338113848 /nfs/dbraw/zinc/11/38/48/338113848.db2.gz ONJTZPKVOIHRGA-AWEZNQCLSA-N 0 3 310.319 3.856 20 30 DHEDHN CC1(C)C[C@H](NCc2cccc(C#N)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433177918 338184135 /nfs/dbraw/zinc/18/41/35/338184135.db2.gz VPUMTAKFBIUMQX-SFHVURJKSA-N 0 3 321.380 3.979 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000433299443 338190347 /nfs/dbraw/zinc/19/03/47/338190347.db2.gz BTVBTWKODIRVTE-PMACEKPBSA-N 0 3 318.420 3.775 20 30 DHEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000433369834 338194044 /nfs/dbraw/zinc/19/40/44/338194044.db2.gz AGSCKNHBTOSEFV-UXPWSPDFSA-N 0 3 318.420 3.979 20 30 DHEDHN C=CCCCCCN[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000435887573 338251847 /nfs/dbraw/zinc/25/18/47/338251847.db2.gz CHOSHRFFZAATEW-FUHWJXTLSA-N 0 3 323.502 3.805 20 30 DHEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C ZINC000435976108 338254756 /nfs/dbraw/zinc/25/47/56/338254756.db2.gz KJWVAGJOKMSHGG-QINHECLXSA-N 0 3 318.420 3.751 20 30 DHEDHN O[C@@H]1CCCC[C@@H]1[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000439011029 338358381 /nfs/dbraw/zinc/35/83/81/338358381.db2.gz ZPRFJWOPYBBKRK-VAMGGRTRSA-N 0 3 315.432 3.583 20 30 DHEDHN CC[C@@H](CNCc1ccc(C#N)c(OC)c1)Oc1cccc(C)c1 ZINC000440608699 338392212 /nfs/dbraw/zinc/39/22/12/338392212.db2.gz FBNFMNZHVOGGER-SFHVURJKSA-N 0 3 324.424 3.823 20 30 DHEDHN COc1cc(CN[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)ccc1C#N ZINC000440624897 338392871 /nfs/dbraw/zinc/39/28/71/338392871.db2.gz JPTOJIQZASRMBB-LRDNONRASA-N 0 3 322.408 3.610 20 30 DHEDHN COc1cc(CNCC(C)(C)Oc2ccccc2)ccc1C#N ZINC000440822029 338398206 /nfs/dbraw/zinc/39/82/06/338398206.db2.gz JWOJOXYBJMVBGW-UHFFFAOYSA-N 0 3 310.397 3.514 20 30 DHEDHN COc1cc(CNCCc2cc3ccccc3o2)ccc1C#N ZINC000440816490 338398218 /nfs/dbraw/zinc/39/82/18/338398218.db2.gz MTAJPXZXEZPEQZ-UHFFFAOYSA-N 0 3 306.365 3.645 20 30 DHEDHN CC(C)C[C@H](C)Oc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccn1 ZINC000442783623 338430959 /nfs/dbraw/zinc/43/09/59/338430959.db2.gz RQYAXAFLKAFERN-YQQAZPJKSA-N 0 3 301.434 3.677 20 30 DHEDHN Cc1nc(-c2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)o2)cs1 ZINC000446822991 338536816 /nfs/dbraw/zinc/53/68/16/338536816.db2.gz HMMJVIDZMPDMLN-CHWSQXEVSA-N 0 3 301.415 3.884 20 30 DHEDHN CC[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000447589693 338560104 /nfs/dbraw/zinc/56/01/04/338560104.db2.gz YQOMZAUSLOUAST-XJKSGUPXSA-N 0 3 302.418 3.719 20 30 DHEDHN CN(C)[C@@H]1CCOc2c(NC3CCC(C)(C#N)CC3)cccc21 ZINC000449289626 338609974 /nfs/dbraw/zinc/60/99/74/338609974.db2.gz BFECKLNXFBHLIQ-LTCLLZNKSA-N 0 3 313.445 3.956 20 30 DHEDHN COc1ccc(CNCC2=CCCCC2)cc1OCCCC#N ZINC000449375115 338619162 /nfs/dbraw/zinc/61/91/62/338619162.db2.gz FKDYDGRTTUVIQU-UHFFFAOYSA-N 0 3 314.429 3.968 20 30 DHEDHN C=C(C)CCNCc1ccc(OC)cc1OCc1cccnc1 ZINC000449475191 338628559 /nfs/dbraw/zinc/62/85/59/338628559.db2.gz KVHZXGZXKMIRQH-UHFFFAOYSA-N 0 3 312.413 3.725 20 30 DHEDHN C=CCOc1ccc(CNC[C@@H]2CCCC2(F)F)cc1OC ZINC000449500556 338632279 /nfs/dbraw/zinc/63/22/79/338632279.db2.gz VBTDMLNFUGUUQH-AWEZNQCLSA-N 0 3 311.372 3.785 20 30 DHEDHN COc1cc(CN[C@H]2CCCN(C)c3ccccc32)ccc1C#N ZINC000449655015 338644599 /nfs/dbraw/zinc/64/45/99/338644599.db2.gz XXVUMRKZGFYZAZ-SFHVURJKSA-N 0 3 321.424 3.628 20 30 DHEDHN C[C@H](NC[C@@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000453320833 338824387 /nfs/dbraw/zinc/82/43/87/338824387.db2.gz PLIIEUIKIKUKAE-DZGCQCFKSA-N 0 3 302.393 3.697 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccc(OCC)c(OCC)c1 ZINC000453351294 338829780 /nfs/dbraw/zinc/82/97/80/338829780.db2.gz JJWOJPXEGNCBCW-ZACQAIPSSA-N 0 3 319.445 3.868 20 30 DHEDHN C[C@@H](NCC(C)(C)C1(O)CCCC1)c1ccc(C#N)cc1F ZINC000453388206 338836384 /nfs/dbraw/zinc/83/63/84/338836384.db2.gz QRGDUZUCUMMYII-CYBMUJFWSA-N 0 3 304.409 3.679 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC000457542927 338968705 /nfs/dbraw/zinc/96/87/05/338968705.db2.gz NIEBAUOHSWIMLQ-KXBFYZLASA-N 0 3 306.494 3.606 20 30 DHEDHN N#C[C@H]1CCC[C@@H]1NCCCOc1cccc(C(F)(F)F)c1 ZINC000459467195 339030875 /nfs/dbraw/zinc/03/08/75/339030875.db2.gz PITWZFGVTSCQKL-DOMZBBRYSA-N 0 3 312.335 3.756 20 30 DHEDHN Cc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1Br ZINC000459667077 339041839 /nfs/dbraw/zinc/04/18/39/339041839.db2.gz RTEKKQVZRYCXTJ-TZMCWYRMSA-N 0 3 307.235 3.930 20 30 DHEDHN COc1ccc(C)cc1[C@H](C)NCCOc1cccc(C#N)c1 ZINC000459697776 339043403 /nfs/dbraw/zinc/04/34/03/339043403.db2.gz QELBTXFUYPDEDZ-HNNXBMFYSA-N 0 3 310.397 3.605 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459768981 339047306 /nfs/dbraw/zinc/04/73/06/339047306.db2.gz GCQQRYQDSRPMQH-ILXRZTDVSA-N 0 3 316.470 3.681 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC000459796910 339049071 /nfs/dbraw/zinc/04/90/71/339049071.db2.gz ZEHHHNJVYKJUKO-ZLDLUXBVSA-N 0 3 305.219 3.599 20 30 DHEDHN C=C(C)COCCNCc1ccc(Cl)c(Br)c1 ZINC000164761272 339051273 /nfs/dbraw/zinc/05/12/73/339051273.db2.gz XNTUIGZKLACDNP-UHFFFAOYSA-N 0 3 318.642 3.785 20 30 DHEDHN N#Cc1ccccc1N1CCCN([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000463080208 339104969 /nfs/dbraw/zinc/10/49/69/339104969.db2.gz UDKCCYVDXHUMRG-FPOVZHCZSA-N 0 3 317.436 3.626 20 30 DHEDHN CC(C)O[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1(C)C ZINC000463565536 339121636 /nfs/dbraw/zinc/12/16/36/339121636.db2.gz UUUVKBINXKCDAH-JCURWCKSSA-N 0 3 304.409 3.940 20 30 DHEDHN CC#CCCCC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000466643960 339211696 /nfs/dbraw/zinc/21/16/96/339211696.db2.gz WXERXBXUKKLPNG-UHFFFAOYSA-N 0 3 318.505 3.539 20 30 DHEDHN C[C@H](NC[C@@H](CO)CC1CCCC1)c1ccc(C#N)cc1F ZINC000467455335 339239772 /nfs/dbraw/zinc/23/97/72/339239772.db2.gz KZJCOGGADHRHLL-BBRMVZONSA-N 0 3 304.409 3.537 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000467904727 339249029 /nfs/dbraw/zinc/24/90/29/339249029.db2.gz WBZWCZMRANWJSK-ICSRJNTNSA-N 0 3 314.473 3.616 20 30 DHEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000468589913 339266964 /nfs/dbraw/zinc/26/69/64/339266964.db2.gz VSWCHNBLSCDYDQ-BZNIZROVSA-N 0 3 316.763 3.844 20 30 DHEDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(C#N)c1 ZINC000468629656 339267457 /nfs/dbraw/zinc/26/74/57/339267457.db2.gz VFSBOWSIHLYEOL-RIYZIHGNSA-N 0 3 307.353 3.660 20 30 DHEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000469522151 339292503 /nfs/dbraw/zinc/29/25/03/339292503.db2.gz OIIPFKDFZGXMFK-UYAOXDASSA-N 0 3 318.420 3.905 20 30 DHEDHN C=CCOCCCN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000470763478 339327035 /nfs/dbraw/zinc/32/70/35/339327035.db2.gz CKGQOQRBTMTORA-UHFFFAOYSA-N 0 3 301.430 3.767 20 30 DHEDHN CCSc1cccc(CNCCOc2ccc(C#N)cc2)c1 ZINC000472057685 339361409 /nfs/dbraw/zinc/36/14/09/339361409.db2.gz ARCMPUSZRADFKK-UHFFFAOYSA-N 0 3 312.438 3.839 20 30 DHEDHN C[C@H](N[C@@H]1CCCC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000472609496 339375249 /nfs/dbraw/zinc/37/52/49/339375249.db2.gz JVQQMQDFMDXNGT-XHDPSFHLSA-N 0 3 319.836 3.707 20 30 DHEDHN C=CCN1CCC(NC(=O)NC2CCC(CC)(CC)CC2)CC1 ZINC000473823460 339392794 /nfs/dbraw/zinc/39/27/94/339392794.db2.gz WNDBBTFWIRUHKO-UHFFFAOYSA-N 0 3 321.509 3.685 20 30 DHEDHN C=CCCC1(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC1 ZINC000475610659 339457155 /nfs/dbraw/zinc/45/71/55/339457155.db2.gz VTMPHRRIAQUZQC-INIZCTEOSA-N 0 3 314.473 3.978 20 30 DHEDHN C=CCSc1ccccc1C(=O)NC[C@H](CC(C)C)N(C)C ZINC000485458495 339703664 /nfs/dbraw/zinc/70/36/64/339703664.db2.gz WNVGREUASFMQEA-HNNXBMFYSA-N 0 3 320.502 3.671 20 30 DHEDHN Cc1ccc(NC(=O)/C=C\c2ccc(C#N)cc2)c(CN(C)C)c1 ZINC000491874196 339885684 /nfs/dbraw/zinc/88/56/84/339885684.db2.gz URRQQPLJRIMLSL-LUAWRHEFSA-N 0 3 319.408 3.580 20 30 DHEDHN CCOC[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000494213471 339943797 /nfs/dbraw/zinc/94/37/97/339943797.db2.gz TXUFUQDFBVDRTO-INIZCTEOSA-N 0 3 324.424 3.652 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)ccc1C)C(C)C ZINC000496013821 339996519 /nfs/dbraw/zinc/99/65/19/339996519.db2.gz KBSIKCMJZWVVPY-IBGZPJMESA-N 0 3 314.473 3.732 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(Cl)cc1)C(C)C ZINC000496012801 339996524 /nfs/dbraw/zinc/99/65/24/339996524.db2.gz FMCQWFSDDHLJGF-QGZVFWFLSA-N 0 3 320.864 3.768 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2ccccc2)[C@H]1C ZINC000501218742 340076379 /nfs/dbraw/zinc/07/63/79/340076379.db2.gz RLUJEIKMAROINZ-DNVCBOLYSA-N 0 3 306.409 3.945 20 30 DHEDHN C[C@@H](c1ccccc1F)N1CCCN(c2ccccc2C#N)CC1 ZINC000502071963 340094728 /nfs/dbraw/zinc/09/47/28/340094728.db2.gz RANWLYPRBMAKBQ-INIZCTEOSA-N 0 3 323.415 3.971 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000502540286 340107385 /nfs/dbraw/zinc/10/73/85/340107385.db2.gz HKYWPLPYNVTXFF-MAUKXSAKSA-N 0 3 318.436 3.702 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](c1ccc(F)cc1)C(C)C ZINC000502563220 340107854 /nfs/dbraw/zinc/10/78/54/340107854.db2.gz LFSPLKQEMUNNEY-YJBOKZPZSA-N 0 3 320.452 3.926 20 30 DHEDHN CN(CCSc1ccccc1F)Cc1cccc(C#N)c1 ZINC000506136784 340186599 /nfs/dbraw/zinc/18/65/99/340186599.db2.gz SPNNERQIAWZRMV-UHFFFAOYSA-N 0 3 300.402 3.921 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCO2 ZINC000507176655 340211317 /nfs/dbraw/zinc/21/13/17/340211317.db2.gz YOYHYKCNICZMJE-UHFFFAOYSA-N 0 3 306.409 3.904 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](c2ccccc2C)C1 ZINC000507206437 340213251 /nfs/dbraw/zinc/21/32/51/340213251.db2.gz OEFMPCAMDCIBKF-ROUUACIJSA-N 0 3 314.473 3.597 20 30 DHEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000509007475 340258003 /nfs/dbraw/zinc/25/80/03/340258003.db2.gz RUROKLQFZLCRIK-INIZCTEOSA-N 0 3 312.413 3.593 20 30 DHEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000510418861 340298702 /nfs/dbraw/zinc/29/87/02/340298702.db2.gz AFDWQSWZBDOZAX-BXUZGUMPSA-N 0 3 310.319 3.919 20 30 DHEDHN N#Cc1ccccc1OCCN(CCc1cccc(F)c1)C1CC1 ZINC000303550962 340333294 /nfs/dbraw/zinc/33/32/94/340333294.db2.gz HCSQZLPDZCHAGW-UHFFFAOYSA-N 0 3 324.399 3.783 20 30 DHEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(C#N)cc1F ZINC000512296983 340356081 /nfs/dbraw/zinc/35/60/81/340356081.db2.gz UQOVFZYSSIBKMZ-PWUKJLEFSA-N 0 3 314.404 3.696 20 30 DHEDHN C=CC[C@@H](CO)CNCc1ccc(-c2ccccc2)cc1OC ZINC000512395872 340360414 /nfs/dbraw/zinc/36/04/14/340360414.db2.gz CUUJVLGCVQLNCM-MRXNPFEDSA-N 0 3 311.425 3.636 20 30 DHEDHN CC[C@@H]1CCCCN1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000512612862 340368947 /nfs/dbraw/zinc/36/89/47/340368947.db2.gz QGYKWPIHUPBFJD-GDBMZVCRSA-N 0 3 303.425 3.612 20 30 DHEDHN COc1cc(CCN[C@H](C)c2ccc(C#N)cc2F)ccc1C ZINC000512611016 340368975 /nfs/dbraw/zinc/36/89/75/340368975.db2.gz GYZPVUMVBIITCD-CQSZACIVSA-N 0 3 312.388 3.908 20 30 DHEDHN C[C@H](NC[C@H](C)N1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512621554 340369501 /nfs/dbraw/zinc/36/95/01/340369501.db2.gz ZGWWLJLOGRTABJ-ILXRZTDVSA-N 0 3 303.425 3.611 20 30 DHEDHN C[C@H](NCCOc1ccc(F)cc1F)c1ccc(C#N)cc1F ZINC000512631419 340370084 /nfs/dbraw/zinc/37/00/84/340370084.db2.gz QWZDXSAFYRRERQ-NSHDSACASA-N 0 3 320.314 3.705 20 30 DHEDHN COCCC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCCC1 ZINC000512649768 340370863 /nfs/dbraw/zinc/37/08/63/340370863.db2.gz UFPKJSLIGLGHBJ-AWEZNQCLSA-N 0 3 304.409 3.945 20 30 DHEDHN C[C@@H](NC[C@H](CCO)c1ccccc1)c1ccc(C#N)cc1F ZINC000512666122 340372101 /nfs/dbraw/zinc/37/21/01/340372101.db2.gz IYDQSJHMXJKHEP-PBHICJAKSA-N 0 3 312.388 3.514 20 30 DHEDHN C[C@@H](NCCc1cccc(F)c1F)c1ccc(C#N)cc1F ZINC000512667028 340372108 /nfs/dbraw/zinc/37/21/08/340372108.db2.gz NPKOFORCWPYWNJ-LLVKDONJSA-N 0 3 304.315 3.869 20 30 DHEDHN COC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512672229 340372397 /nfs/dbraw/zinc/37/23/97/340372397.db2.gz JIVVKUQHEZBZOC-WMLDXEAASA-N 0 3 312.388 3.606 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCCCC3)O2)cc1F ZINC000404263880 340388052 /nfs/dbraw/zinc/38/80/52/340388052.db2.gz UDSQLPPEIRNUNS-INIZCTEOSA-N 0 3 302.393 3.669 20 30 DHEDHN COC(=O)C[C@@](C)(NCCCC(C)(C)C#N)c1cccc(F)c1 ZINC000513128240 340394453 /nfs/dbraw/zinc/39/44/53/340394453.db2.gz PCZMBLHSAJFIDX-GOSISDBHSA-N 0 3 320.408 3.524 20 30 DHEDHN CC(C)(C#N)CCCN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000174810363 340396594 /nfs/dbraw/zinc/39/65/94/340396594.db2.gz QDSKHXYENNMTHG-UHFFFAOYSA-N 0 3 319.880 3.788 20 30 DHEDHN N#Cc1ccc(OCCNCc2cc(Cl)ccc2F)cc1 ZINC000513544500 340412925 /nfs/dbraw/zinc/41/29/25/340412925.db2.gz ISAHQLYGKCVWTO-UHFFFAOYSA-N 0 3 304.752 3.519 20 30 DHEDHN C=CCCOCCNCc1cc(Cl)ccc1OC(F)F ZINC000229880452 340616621 /nfs/dbraw/zinc/61/66/21/340616621.db2.gz ZHWIGOINQJSREV-UHFFFAOYSA-N 0 3 305.752 3.624 20 30 DHEDHN N#Cc1cccc(CN2CCC(Nc3ccc(F)cc3)CC2)c1 ZINC000237853425 340674642 /nfs/dbraw/zinc/67/46/42/340674642.db2.gz ZIGYAASDPCGOMQ-UHFFFAOYSA-N 0 3 309.388 3.774 20 30 DHEDHN C=CCC[C@H](NCC(=O)NCCC(C)(C)C)c1ccccc1 ZINC000538259333 340815350 /nfs/dbraw/zinc/81/53/50/340815350.db2.gz FKPJINIJMVZHHE-KRWDZBQOSA-N 0 3 302.462 3.836 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1ccc(Br)cc1F ZINC000128221310 340862227 /nfs/dbraw/zinc/86/22/27/340862227.db2.gz WKHMIESBXSEKRA-NSHDSACASA-N 0 3 316.214 3.832 20 30 DHEDHN C=C(C)COCCN[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000540160603 340919083 /nfs/dbraw/zinc/91/90/83/340919083.db2.gz FYKBCHLMXUINGT-HNNXBMFYSA-N 0 3 315.335 3.755 20 30 DHEDHN C=CCN(Cc1ccccc1)C(=O)c1ccc(CN(C)C)cc1 ZINC000129706366 340983031 /nfs/dbraw/zinc/98/30/31/340983031.db2.gz BRLIQFVNRPIELS-UHFFFAOYSA-N 0 3 308.425 3.577 20 30 DHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000564253573 341000359 /nfs/dbraw/zinc/00/03/59/341000359.db2.gz UAKOCDRWEFMOCM-FXAWDEMLSA-N 0 3 311.425 3.954 20 30 DHEDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(CC#N)cc1 ZINC000544068358 341069007 /nfs/dbraw/zinc/06/90/07/341069007.db2.gz JUBTZTOPGURPID-QRWLVFNGSA-N 0 3 306.409 3.577 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1c(C)cccc1C ZINC000544895873 341097918 /nfs/dbraw/zinc/09/79/18/341097918.db2.gz UJSHZWXJNRDMEY-SJORKVTESA-N 0 3 300.446 3.543 20 30 DHEDHN C=CCN(CCCc1cc(CC)no1)Cc1ccc(OC)cc1 ZINC000564294610 341142801 /nfs/dbraw/zinc/14/28/01/341142801.db2.gz FCVUPLCXDBQZJG-UHFFFAOYSA-N 0 3 314.429 3.866 20 30 DHEDHN C=C(C)CN(CC)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000077247133 341221453 /nfs/dbraw/zinc/22/14/53/341221453.db2.gz IEWKYOIUIZWJFH-UHFFFAOYSA-N 0 3 305.809 3.831 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 ZINC000078624378 341245119 /nfs/dbraw/zinc/24/51/19/341245119.db2.gz IWMCRVPWEDAVMA-LSDHHAIUSA-N 0 3 306.475 3.698 20 30 DHEDHN Cc1ccc(C(=O)C(C#N)c2ccccn2)cc1Br ZINC000080255825 341271596 /nfs/dbraw/zinc/27/15/96/341271596.db2.gz HYQSOOSHSYYNJS-GFCCVEGCSA-N 0 3 315.170 3.643 20 30 DHEDHN C[C@@H](NCCC1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1F ZINC000549225326 341289064 /nfs/dbraw/zinc/28/90/64/341289064.db2.gz IDHMKJRNJIHKGE-MGPQQGTHSA-N 0 3 304.409 3.942 20 30 DHEDHN CCc1nc2cc(CN[C@@H]3CC[C@H](C#N)C3)ccc2n1C1CC1 ZINC000549610283 341298863 /nfs/dbraw/zinc/29/88/63/341298863.db2.gz JYDVXFSWJNRAPV-DZGCQCFKSA-N 0 3 308.429 3.715 20 30 DHEDHN N#Cc1ccc(CNCC[C@@H](c2ccccc2)C(F)(F)F)o1 ZINC000550226474 341312988 /nfs/dbraw/zinc/31/29/88/341312988.db2.gz AZEPHGRACTVZON-HNNXBMFYSA-N 0 3 308.303 3.977 20 30 DHEDHN C[C@H](NC[C@H](CO)C1CCCCC1)c1ccc(C#N)cc1F ZINC000550898121 341326228 /nfs/dbraw/zinc/32/62/28/341326228.db2.gz SBQBVLHDXZMVQJ-XJKSGUPXSA-N 0 3 304.409 3.537 20 30 DHEDHN N#Cc1cccc(C2(NC/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000551227740 341334416 /nfs/dbraw/zinc/33/44/16/341334416.db2.gz RXRFHOYSEODZAP-DAXSKMNVSA-N 0 3 319.364 3.759 20 30 DHEDHN C=CC[C@@H](CO)CNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000551597982 341346822 /nfs/dbraw/zinc/34/68/22/341346822.db2.gz GUPVDRWSOOGMON-GFCCVEGCSA-N 0 3 322.861 3.738 20 30 DHEDHN C=C(C)CN(CC)C(=O)CNC(C)(C)c1ccc(Cl)cc1 ZINC000551723616 341350144 /nfs/dbraw/zinc/35/01/44/341350144.db2.gz ODCMZWSAZLAMQZ-UHFFFAOYSA-N 0 3 308.853 3.589 20 30 DHEDHN CC(C)(NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1 ZINC000551799314 341352155 /nfs/dbraw/zinc/35/21/55/341352155.db2.gz RORHORZCWAACMG-UHFFFAOYSA-N 0 3 324.815 3.884 20 30 DHEDHN C=CCC[C@H](NC[C@@H](CC(C)C)N1CCOCC1)c1ccco1 ZINC000552224237 341379304 /nfs/dbraw/zinc/37/93/04/341379304.db2.gz OVIFGATVYMMTDV-MSOLQXFVSA-N 0 3 320.477 3.623 20 30 DHEDHN CCOc1cccc([C@@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000090107545 341413539 /nfs/dbraw/zinc/41/35/39/341413539.db2.gz DYZMBLPGSIJRFH-OAHLLOKOSA-N 0 3 310.397 3.687 20 30 DHEDHN C[C@H](CN1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000554559269 341458008 /nfs/dbraw/zinc/45/80/08/341458008.db2.gz GFHNGBBKHIJENL-QGZVFWFLSA-N 0 3 305.425 3.742 20 30 DHEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@H]1CCc2ccc(C#N)cc21 ZINC000555002489 341472505 /nfs/dbraw/zinc/47/25/05/341472505.db2.gz GOVWIAFGEPFWBP-OALUTQOASA-N 0 3 322.383 3.970 20 30 DHEDHN CN1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000566038256 341546043 /nfs/dbraw/zinc/54/60/43/341546043.db2.gz LMQKXTJEXOCTRB-UXHICEINSA-N 0 3 324.855 3.727 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(C#N)cc1 ZINC000266517781 341587810 /nfs/dbraw/zinc/58/78/10/341587810.db2.gz ZAGMCBXUVVDFKB-CABCVRRESA-N 0 3 305.381 3.872 20 30 DHEDHN C[C@H](NCc1cc2c(c(Cl)c1)OCO2)c1ccc(C#N)cc1 ZINC000315442428 341658704 /nfs/dbraw/zinc/65/87/04/341658704.db2.gz LSFIIMMSKYLHNG-NSHDSACASA-N 0 3 314.772 3.791 20 30 DHEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@H](C#N)CCC#N ZINC000574444921 341758693 /nfs/dbraw/zinc/75/86/93/341758693.db2.gz HWQKOSWQDMTXRS-JSGCOSHPSA-N 0 3 309.335 3.670 20 30 DHEDHN COc1cccc(O[C@@H](C)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000174256439 341825415 /nfs/dbraw/zinc/82/54/15/341825415.db2.gz FZRXFKRDNRVJMD-LSDHHAIUSA-N 0 3 310.397 3.685 20 30 DHEDHN C[C@H](CNCc1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000174589670 341829138 /nfs/dbraw/zinc/82/91/38/341829138.db2.gz JMOQBYGIQAWORO-CYBMUJFWSA-N 0 3 300.789 3.769 20 30 DHEDHN Cc1cc(Br)ccc1CNCc1ccc(C#N)s1 ZINC000176967386 341908177 /nfs/dbraw/zinc/90/81/77/341908177.db2.gz JMVZFHZAVZBFOP-UHFFFAOYSA-N 0 3 321.243 3.981 20 30 DHEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(CC#N)cc1)CCC2 ZINC000578012427 341970564 /nfs/dbraw/zinc/97/05/64/341970564.db2.gz GMYDIKPBZSKOEA-FQEVSTJZSA-N 0 3 306.409 3.928 20 30 DHEDHN C=CCCC1(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000356253668 517321634 /nfs/dbraw/zinc/32/16/34/517321634.db2.gz LFHGBWBUSBDOKL-RDJZCZTQSA-N 0 3 300.446 3.540 20 30 DHEDHN CCCn1nccc1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000337381766 521672803 /nfs/dbraw/zinc/67/28/03/521672803.db2.gz UXWMXNAZZMZCJW-UHFFFAOYSA-N 0 3 308.429 3.544 20 30 DHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H]1c1ccccc1 ZINC000157391802 522041400 /nfs/dbraw/zinc/04/14/00/522041400.db2.gz SIDYCIGTYYHOSG-GOSISDBHSA-N 0 3 322.408 3.783 20 30 DHEDHN CN(Cc1cc(C#N)n(C)c1)Cc1ccc(N2CCCCC2)cc1 ZINC000191150227 523166258 /nfs/dbraw/zinc/16/62/58/523166258.db2.gz DPQCUBKUZHTLKN-UHFFFAOYSA-N 0 3 322.456 3.519 20 30 DHEDHN C[C@@H]1CCC[C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1C ZINC000162941681 524316168 /nfs/dbraw/zinc/31/61/68/524316168.db2.gz JNTPVYMLFVZVTD-XJKCOSOUSA-N 0 3 310.401 3.523 20 30 DHEDHN C[C@H](NC[C@](C)(O)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000157607246 525425548 /nfs/dbraw/zinc/42/55/48/525425548.db2.gz OORONLXYSIOCHY-UGSOOPFHSA-N 0 3 314.816 3.770 20 30 DHEDHN Cc1csc(C(C)(C)NCCCOc2cccc(C#N)c2)n1 ZINC000128174485 526322225 /nfs/dbraw/zinc/32/22/25/526322225.db2.gz YSFZZATUSWMTKP-UHFFFAOYSA-N 0 3 315.442 3.617 20 30 DHEDHN N#Cc1ccc(CN2CCC(Nc3ccccc3F)CC2)cc1 ZINC000128964052 526609947 /nfs/dbraw/zinc/60/99/47/526609947.db2.gz OWJBOOYSDYKINV-UHFFFAOYSA-N 0 3 309.388 3.774 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)s1 ZINC000182698378 526625303 /nfs/dbraw/zinc/62/53/03/526625303.db2.gz NWHWXNYNKACWRI-CVEARBPZSA-N 0 3 320.364 3.518 20 30 DHEDHN COc1cc(CNCc2cc(C)c3ncccc3c2)ccc1C#N ZINC000353214026 536802092 /nfs/dbraw/zinc/80/20/92/536802092.db2.gz UNYSRZCAEHFXGX-UHFFFAOYSA-N 0 3 317.392 3.713 20 30 DHEDHN C=C(C)C[N@@H+](C)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823877807 609370492 /nfs/dbraw/zinc/37/04/92/609370492.db2.gz GBWVCSWDWCFYLO-UHFFFAOYSA-N 0 3 319.412 3.542 20 30 DHEDHN C=C(C)C[N@H+](C)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823877807 609370495 /nfs/dbraw/zinc/37/04/95/609370495.db2.gz GBWVCSWDWCFYLO-UHFFFAOYSA-N 0 3 319.412 3.542 20 30 DHEDHN C=C(C)C[N@@H+](C)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823877807 609370498 /nfs/dbraw/zinc/37/04/98/609370498.db2.gz GBWVCSWDWCFYLO-UHFFFAOYSA-N 0 3 319.412 3.542 20 30 DHEDHN C=C(C)C[N@H+](C)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823877807 609370500 /nfs/dbraw/zinc/37/05/00/609370500.db2.gz GBWVCSWDWCFYLO-UHFFFAOYSA-N 0 3 319.412 3.542 20 30 DHEDHN CC(C)(CO)[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000519234475 1013295795 /nfs/dbraw/zinc/29/57/95/1013295795.db2.gz AZEPHBAIGYGFPT-IBGZPJMESA-N 0 3 308.425 3.602 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2CCC)CC1 ZINC000519282725 1013301994 /nfs/dbraw/zinc/30/19/94/1013301994.db2.gz MUWSQKPWICJEGC-AEFFLSMTSA-N 0 3 321.509 3.685 20 30 DHEDHN CC#CCN[C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000119414548 1013375421 /nfs/dbraw/zinc/37/54/21/1013375421.db2.gz DADWZSGNIXBWCX-GFCCVEGCSA-N 0 3 300.427 3.801 20 30 DHEDHN C=C(C)COCCN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000090450906 1013454754 /nfs/dbraw/zinc/45/47/54/1013454754.db2.gz YGSCCQODVZRIBV-HNNXBMFYSA-N 0 3 317.351 3.575 20 30 DHEDHN CO[C@@H]1CCC[C@@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000796656504 1013457398 /nfs/dbraw/zinc/45/73/98/1013457398.db2.gz WZTLZPUJAAYZQN-MCIONIFRSA-N 0 3 312.369 3.599 20 30 DHEDHN C=C[C@H](C)NCc1cn(-c2cccc(Br)c2)nc1C ZINC000655749635 1013681968 /nfs/dbraw/zinc/68/19/68/1013681968.db2.gz VLABBOGYVBKXNR-NSHDSACASA-N 0 3 320.234 3.607 20 30 DHEDHN C=CCCOCCNCc1cn(-c2ccccc2Cl)nc1C ZINC000655750485 1013690158 /nfs/dbraw/zinc/69/01/58/1013690158.db2.gz BIMVQFABFPVABJ-UHFFFAOYSA-N 0 3 319.836 3.516 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccccc1-n1cccn1 ZINC000177224809 1013710729 /nfs/dbraw/zinc/71/07/29/1013710729.db2.gz JBUFISBZVKALGE-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN CC(C)n1ncc2cc(CN[C@H](C)c3cccc(C#N)c3)cnc21 ZINC000610344668 1013955293 /nfs/dbraw/zinc/95/52/93/1013955293.db2.gz DEWLPMQXJHKXTJ-CQSZACIVSA-N 0 3 319.412 3.735 20 30 DHEDHN C=CCCCCCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000580095523 1014029107 /nfs/dbraw/zinc/02/91/07/1014029107.db2.gz XJZRIUFQQIOEAA-SFHVURJKSA-N 0 3 301.409 3.985 20 30 DHEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001125467993 1014306552 /nfs/dbraw/zinc/30/65/52/1014306552.db2.gz UZFVIBAMXOANCR-JZXOWHBKSA-N 0 3 300.446 3.540 20 30 DHEDHN C=CCC[C@@H](O)CN(CCC(F)(F)F)Cc1ccccc1 ZINC000191244787 1014328013 /nfs/dbraw/zinc/32/80/13/1014328013.db2.gz XDTHGDKNMQCWSZ-OAHLLOKOSA-N 0 3 301.352 3.768 20 30 DHEDHN C=C(C)CCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC001125487420 1014621422 /nfs/dbraw/zinc/62/14/22/1014621422.db2.gz TTXDVIWZHRGSAX-UHFFFAOYSA-N 0 3 318.486 3.573 20 30 DHEDHN COc1cccc(Oc2ncccc2CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442779408 1014729754 /nfs/dbraw/zinc/72/97/54/1014729754.db2.gz MFXDAAUIJUAXFK-ZBFHGGJFSA-N 0 3 323.396 3.664 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000442810388 1014740705 /nfs/dbraw/zinc/74/07/05/1014740705.db2.gz NFBWURJEVGHRQO-UHFFFAOYSA-N 0 3 319.408 3.851 20 30 DHEDHN CCc1nn(-c2ccccc2)c(CC)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442864425 1014751347 /nfs/dbraw/zinc/75/13/47/1014751347.db2.gz ZJCQQWXNBGAIFS-JKSUJKDBSA-N 0 3 322.456 3.779 20 30 DHEDHN CCn1cc(CN2CCC[C@H](CC#N)C2)c(-c2ccccc2)n1 ZINC000895227820 1014955875 /nfs/dbraw/zinc/95/58/75/1014955875.db2.gz DQTLYPDRORMHPC-MRXNPFEDSA-N 0 3 308.429 3.696 20 30 DHEDHN C=CCN(CCc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000522268466 1014993257 /nfs/dbraw/zinc/99/32/57/1014993257.db2.gz SNIKDPLNXKJUCH-UHFFFAOYSA-N 0 3 302.399 3.887 20 30 DHEDHN C[C@H](O)CN(Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001167472771 1015026637 /nfs/dbraw/zinc/02/66/37/1015026637.db2.gz CZXBUWCPUHXCES-AWEZNQCLSA-N 0 3 314.816 3.595 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@H](CC)c1cccc(Cl)c1 ZINC000341282137 1015133335 /nfs/dbraw/zinc/13/33/35/1015133335.db2.gz HWKUZXANPRNSOP-MRXNPFEDSA-N 0 3 308.853 3.805 20 30 DHEDHN C=C1CCC(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000895466828 1015169846 /nfs/dbraw/zinc/16/98/46/1015169846.db2.gz HMCHKQOOVWBCIF-INIZCTEOSA-N 0 3 318.486 3.748 20 30 DHEDHN C=CCC[C@H](NC[C@@H](O)c1cccc(OC)c1)c1ccco1 ZINC000276511269 1015242433 /nfs/dbraw/zinc/24/24/33/1015242433.db2.gz ZIMAWMSDWFRTRZ-DLBZAZTESA-N 0 3 301.386 3.619 20 30 DHEDHN CC(C)CN(Cc1cnn(C)c1C1CC1)Cc1ccc(C#N)cc1 ZINC000891684808 1015524124 /nfs/dbraw/zinc/52/41/24/1015524124.db2.gz QARKELCSHNDTTG-UHFFFAOYSA-N 0 3 322.456 3.827 20 30 DHEDHN CCC(CC)[C@H](NCC(=O)N(CC)CCC#N)c1cccs1 ZINC000341585812 1015555508 /nfs/dbraw/zinc/55/55/08/1015555508.db2.gz ARFILWOQANHVBY-KRWDZBQOSA-N 0 3 321.490 3.577 20 30 DHEDHN CC1(C)[C@H](NCc2ccc(C#N)o2)C[C@H]1OCc1ccccc1 ZINC000185736639 1015678508 /nfs/dbraw/zinc/67/85/08/1015678508.db2.gz OPELOMIDXXGNFV-QZTJIDSGSA-N 0 3 310.397 3.625 20 30 DHEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1cc(C#N)cnc1Cl ZINC000896633626 1015688054 /nfs/dbraw/zinc/68/80/54/1015688054.db2.gz SWLWRWAEAKOYNH-UHFFFAOYSA-N 0 3 324.815 3.589 20 30 DHEDHN C[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1cccc(C#N)c1 ZINC000610658762 1015693896 /nfs/dbraw/zinc/69/38/96/1015693896.db2.gz YOWFIGSRRXVFMS-AWEZNQCLSA-N 0 3 302.381 3.799 20 30 DHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)[C@H](C)C(C)C)c1 ZINC000341827941 1015757750 /nfs/dbraw/zinc/75/77/50/1015757750.db2.gz JELUILMMXJMISD-QGZVFWFLSA-N 0 3 315.461 3.526 20 30 DHEDHN Cc1cccc2c1ncc(C)c2N1CCC2(CC1)CC(=O)C=CO2 ZINC000896880543 1015796520 /nfs/dbraw/zinc/79/65/20/1015796520.db2.gz HRFDKXJUNZHYOJ-UHFFFAOYSA-N 0 3 322.408 3.694 20 30 DHEDHN Cn1cc(CNCc2ccc(OC3CCCC3)cc2)cc1C#N ZINC000276991509 1015838905 /nfs/dbraw/zinc/83/89/05/1015838905.db2.gz WLVGNJAMPXCATN-UHFFFAOYSA-N 0 3 309.413 3.508 20 30 DHEDHN C=CCOCCCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342155396 1016087019 /nfs/dbraw/zinc/08/70/19/1016087019.db2.gz DOWWMZGFIJFDPO-LJQANCHMSA-N 0 3 301.430 3.550 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC(C)(C)C)cc1 ZINC000121706802 1016143068 /nfs/dbraw/zinc/14/30/68/1016143068.db2.gz RFUOZHCOCITAMD-OAHLLOKOSA-N 0 3 300.402 3.723 20 30 DHEDHN COC1CCC(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000892200722 1016418684 /nfs/dbraw/zinc/41/86/84/1016418684.db2.gz HJCYQRLMJDTDRO-QUDVFMAMSA-N 0 3 312.457 3.963 20 30 DHEDHN CCCCN(CC(=O)N(CC)CCC#N)[C@H](C)c1ccccc1 ZINC000346633606 1016490877 /nfs/dbraw/zinc/49/08/77/1016490877.db2.gz XAGVARQHZPOBQW-QGZVFWFLSA-N 0 3 315.461 3.612 20 30 DHEDHN COCC[C@H](Cc1ccco1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000346819650 1016565154 /nfs/dbraw/zinc/56/51/54/1016565154.db2.gz XIQLCZHOHYZJGB-DZGCQCFKSA-N 0 3 316.376 3.589 20 30 DHEDHN CC(C)OC(=O)C[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000248629840 1016583520 /nfs/dbraw/zinc/58/35/20/1016583520.db2.gz QFCSHPLSHCEFMB-NVXWUHKLSA-N 0 3 314.429 3.673 20 30 DHEDHN C[C@H](NCCN1CCCc2ccccc21)c1ccc(C#N)cc1F ZINC000611587801 1016613301 /nfs/dbraw/zinc/61/33/01/1016613301.db2.gz DLEQNNIYEZDIFG-HNNXBMFYSA-N 0 3 323.415 3.801 20 30 DHEDHN C=CCCn1cc(CNC[C@@H]2C[C@@H](C(C)C)c3ccccc32)nn1 ZINC000657456129 1016897130 /nfs/dbraw/zinc/89/71/30/1016897130.db2.gz WYIIEIKZSKFUOX-JXFKEZNVSA-N 0 3 324.472 3.871 20 30 DHEDHN CC(=O)N1CC[C@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000339764990 1016956063 /nfs/dbraw/zinc/95/60/63/1016956063.db2.gz XCKBWBBWEYZGCU-KUHUBIRLSA-N 0 3 319.408 3.707 20 30 DHEDHN CCN(Cc1ccc(CC#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000342700567 1017037929 /nfs/dbraw/zinc/03/79/29/1017037929.db2.gz XJRQVIOPEISIEO-UHFFFAOYSA-N 0 3 308.381 3.503 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccccc1-n1cccn1 ZINC000151828273 1017252468 /nfs/dbraw/zinc/25/24/68/1017252468.db2.gz FBIZFQSIQFZJLN-CYBMUJFWSA-N 0 3 308.410 3.656 20 30 DHEDHN CC(C)(C)c1ccc(OCCCN2CCC(C#N)CC2)cc1 ZINC000057906642 1032326359 /nfs/dbraw/zinc/32/63/59/1032326359.db2.gz XIHZQJXEXSYXOD-UHFFFAOYSA-N 0 3 300.446 3.989 20 30 DHEDHN C#C[C@H]1CCCN([C@@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001171327122 1032380293 /nfs/dbraw/zinc/38/02/93/1032380293.db2.gz VDSKYQVCBHXUBZ-UONOGXRCSA-N 0 3 303.833 3.551 20 30 DHEDHN CCn1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c2ccccc21 ZINC000049405382 1011893218 /nfs/dbraw/zinc/89/32/18/1011893218.db2.gz QTFZMXJINCCJJU-OAHLLOKOSA-N 0 3 318.380 3.558 20 30 DHEDHN C[C@@H](CCC(=O)C(C#N)C(=O)Nc1ccccc1)c1ccccc1 ZINC000160160122 1011906031 /nfs/dbraw/zinc/90/60/31/1011906031.db2.gz LRVORJWBHZSFKM-YJBOKZPZSA-N 0 3 320.392 3.918 20 30 DHEDHN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424119657 1011911742 /nfs/dbraw/zinc/91/17/42/1011911742.db2.gz GANALTHWXRIBNY-HOTGVXAUSA-N 0 3 321.852 3.517 20 30 DHEDHN CC(=O)Nc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425364439 1012490187 /nfs/dbraw/zinc/49/01/87/1012490187.db2.gz GNVNSDUZUWDKLJ-AWEZNQCLSA-N 0 3 307.397 3.710 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)s1 ZINC000126955401 1012496875 /nfs/dbraw/zinc/49/68/75/1012496875.db2.gz JPPRGAXJHYSXFC-AWEZNQCLSA-N 0 3 300.402 3.823 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@H]3COCC[C@H]32)cc1Cl ZINC000537687495 1032641966 /nfs/dbraw/zinc/64/19/66/1032641966.db2.gz IUPQAGNEEOCQLW-NVXWUHKLSA-N 0 3 321.848 3.906 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000425523741 1012722932 /nfs/dbraw/zinc/72/29/32/1012722932.db2.gz ZTDRNJZJADXKBP-QGZVFWFLSA-N 0 3 314.473 3.712 20 30 DHEDHN C[C@H](CN1CCC(Oc2ccccc2C#N)CC1)C(F)(F)F ZINC001208891478 1012747523 /nfs/dbraw/zinc/74/75/23/1012747523.db2.gz KBVGKBLQVIGBGR-GFCCVEGCSA-N 0 3 312.335 3.600 20 30 DHEDHN C#Cc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000188077835 1012846910 /nfs/dbraw/zinc/84/69/10/1012846910.db2.gz XPMPMRWHAVOVTC-UHFFFAOYSA-N 0 3 315.420 3.616 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000533505491 1012964507 /nfs/dbraw/zinc/96/45/07/1012964507.db2.gz MSRFFSVXUYMPNX-LJQANCHMSA-N 0 3 318.436 3.681 20 30 DHEDHN C=C(C)[C@H](N[C@H]1CCCc2cn[nH]c21)c1ccc(F)c(F)c1 ZINC000857865610 1032696299 /nfs/dbraw/zinc/69/62/99/1032696299.db2.gz OLUVUJNBOXOQJV-HOTGVXAUSA-N 0 3 303.356 3.972 20 30 DHEDHN N#Cc1ccc(CNc2cccc(CN3CCSCC3)c2)cc1 ZINC000125258723 1032698866 /nfs/dbraw/zinc/69/88/66/1032698866.db2.gz KCBHEQSXFXDILA-UHFFFAOYSA-N 0 3 323.465 3.719 20 30 DHEDHN C=CC[C@@H](C)N[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000180951424 1017520447 /nfs/dbraw/zinc/52/04/47/1017520447.db2.gz SKMNUZKSPRGOFZ-NEPJUHHUSA-N 0 3 304.825 3.844 20 30 DHEDHN C=CC[C@H](C)N[C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000180951368 1017521280 /nfs/dbraw/zinc/52/12/80/1017521280.db2.gz SKMNUZKSPRGOFZ-NWDGAFQWSA-N 0 3 304.825 3.844 20 30 DHEDHN COc1ccc(CN2CC[C@H]2C(C)C)cc1OCCCC#N ZINC000342864081 1017618416 /nfs/dbraw/zinc/61/84/16/1017618416.db2.gz ZWZCTCRQNIUSSK-INIZCTEOSA-N 0 3 302.418 3.608 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1cnc2c(c1)c(C)nn2C ZINC000195196206 1017679910 /nfs/dbraw/zinc/67/99/10/1017679910.db2.gz NNIBDVYPUYTOLE-UHFFFAOYSA-N 0 3 320.440 3.507 20 30 DHEDHN C=CCOc1cccc(CNCc2cc(COC)cs2)c1 ZINC000657658836 1017686707 /nfs/dbraw/zinc/68/67/07/1017686707.db2.gz GKBBFDGNMWFCSX-UHFFFAOYSA-N 0 3 303.427 3.749 20 30 DHEDHN C=CCCCCCN(C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000523551827 1017728915 /nfs/dbraw/zinc/72/89/15/1017728915.db2.gz GBAGLJJMZQPPQH-HNNXBMFYSA-N 0 3 306.425 3.681 20 30 DHEDHN C=CCC[C@@H](NC[C@@H]1c2ccccc2C(=O)N1C)c1ccco1 ZINC000624186140 1017753776 /nfs/dbraw/zinc/75/37/76/1017753776.db2.gz AWBWOHCUYRZUNO-IAGOWNOFSA-N 0 3 310.397 3.703 20 30 DHEDHN N#Cc1ccc2c(c1)CCN([C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171476480 1032747468 /nfs/dbraw/zinc/74/74/68/1032747468.db2.gz MGDDDAIJVDYICC-GOSISDBHSA-N 0 3 324.374 3.752 20 30 DHEDHN C#CCN(Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000764677783 1018341429 /nfs/dbraw/zinc/34/14/29/1018341429.db2.gz SXRMOVKOAUUTTQ-UHFFFAOYSA-N 0 3 307.393 3.569 20 30 DHEDHN C=CCCOCCN[C@H]1CCc2sc(Br)cc21 ZINC000383326852 1018387263 /nfs/dbraw/zinc/38/72/63/1018387263.db2.gz UNOJNGXPZXPTHU-NSHDSACASA-N 0 3 316.264 3.680 20 30 DHEDHN Cn1cc(CN2CCC[C@@H]3CCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000246030112 1018392958 /nfs/dbraw/zinc/39/29/58/1018392958.db2.gz VXCMEANFAWGFQY-QFBILLFUSA-N 0 3 320.440 3.723 20 30 DHEDHN CC#CCCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000156784249 1018525395 /nfs/dbraw/zinc/52/53/95/1018525395.db2.gz BBGCWAYDFTVECK-LLVKDONJSA-N 0 3 302.365 3.755 20 30 DHEDHN CC[C@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(C#N)cc1 ZINC000278301149 1018535469 /nfs/dbraw/zinc/53/54/69/1018535469.db2.gz RXXOLGVVEZUCKC-IBGZPJMESA-N 0 3 321.424 3.501 20 30 DHEDHN COc1cc(CN(C)CCC(C)(C)C#N)ccc1OC(F)F ZINC000583555979 1018555141 /nfs/dbraw/zinc/55/51/41/1018555141.db2.gz AOTMVSHAYIXCFV-UHFFFAOYSA-N 0 3 312.360 3.668 20 30 DHEDHN C[C@@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171593403 1032771648 /nfs/dbraw/zinc/77/16/48/1032771648.db2.gz MUKRKNHRCIXKEC-SOUVJXGZSA-N 0 3 323.481 3.692 20 30 DHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(-n2ccnc2)cc1 ZINC000361867335 1018741867 /nfs/dbraw/zinc/74/18/67/1018741867.db2.gz ZFRIZVVVHQNEBX-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN C#Cc1cccc(CNCc2ccc(OC)c(OC3CC3)c2)c1 ZINC000858174306 1032789472 /nfs/dbraw/zinc/78/94/72/1032789472.db2.gz RBAOAFWEHGICCY-UHFFFAOYSA-N 0 3 307.393 3.508 20 30 DHEDHN C=C[C@H](COC)N[C@@H]1CCCc2cc(Br)ccc21 ZINC001116889717 1018896828 /nfs/dbraw/zinc/89/68/28/1018896828.db2.gz GIDAISKGBYWJAW-UKRRQHHQSA-N 0 3 310.235 3.617 20 30 DHEDHN COc1ccc(CNCc2c(C)cc(C#N)cc2C)c(C)c1OC ZINC000922966534 1018945792 /nfs/dbraw/zinc/94/57/92/1018945792.db2.gz QJLAAZJIGSXNFF-UHFFFAOYSA-N 0 3 324.424 3.791 20 30 DHEDHN C#CCC1(NCc2nc3cc(C(F)(F)F)ccc3n2C)CCC1 ZINC000922997228 1018972823 /nfs/dbraw/zinc/97/28/23/1018972823.db2.gz HCJDQRFVHJLKNX-UHFFFAOYSA-N 0 3 321.346 3.628 20 30 DHEDHN C[C@@H](C1CC1)N(Cc1ncc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000159079480 1018991778 /nfs/dbraw/zinc/99/17/78/1018991778.db2.gz RQQVTTFUPOOOJI-ZDUSSCGKSA-N 0 3 307.397 3.976 20 30 DHEDHN CN(C)[C@H](CNc1nc2ccccc2cc1C#N)c1cccs1 ZINC000750011420 1019044344 /nfs/dbraw/zinc/04/43/44/1019044344.db2.gz QULLVVLVYHCONX-MRXNPFEDSA-N 0 3 322.437 3.883 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858239886 1032813575 /nfs/dbraw/zinc/81/35/75/1032813575.db2.gz ZARCCHXUPVWZJL-HXUWFJFHSA-N 0 3 306.409 3.725 20 30 DHEDHN CC(C)N(CCOc1cccc(C#N)c1)Cc1ccccc1F ZINC000521196633 1019201488 /nfs/dbraw/zinc/20/14/88/1019201488.db2.gz QYKLTXPHWJGPDF-UHFFFAOYSA-N 0 3 312.388 3.987 20 30 DHEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)sc1C ZINC000160145611 1019220709 /nfs/dbraw/zinc/22/07/09/1019220709.db2.gz JFJYBCBDXLGYEZ-SNVBAGLBSA-N 0 3 323.780 3.798 20 30 DHEDHN C[C@H](CSc1ccc(Cl)cc1)NCc1cncc(C#N)c1 ZINC001172876858 1033449739 /nfs/dbraw/zinc/44/97/39/1033449739.db2.gz DCPWXIHLROIRAD-GFCCVEGCSA-N 0 3 317.845 3.877 20 30 DHEDHN C=CC[C@H]1N(Cc2nc(N)c3ccccc3n2)CCCC1(C)C ZINC000444780938 1019269668 /nfs/dbraw/zinc/26/96/68/1019269668.db2.gz NTINFVRDHYFHDU-MRXNPFEDSA-N 0 3 310.445 3.779 20 30 DHEDHN Cc1ccsc1[C@H](CO)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611394669 1019471975 /nfs/dbraw/zinc/47/19/75/1019471975.db2.gz WAZRZZJFJAZJLE-IRXDYDNUSA-N 0 3 312.438 3.629 20 30 DHEDHN Cn1cccc1C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000078735551 1019582054 /nfs/dbraw/zinc/58/20/54/1019582054.db2.gz SHKIMGOITAXTQV-CYBMUJFWSA-N 0 3 307.378 3.639 20 30 DHEDHN C=C(C)COc1cc(CN2CC(C3CCC3)C2)ccc1OC ZINC000685438398 1019828032 /nfs/dbraw/zinc/82/80/32/1019828032.db2.gz SBTFQECKKWVVIP-UHFFFAOYSA-N 0 3 301.430 3.882 20 30 DHEDHN C=CCN(Cc1ccccc1)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785441121 1019854349 /nfs/dbraw/zinc/85/43/49/1019854349.db2.gz ZDXXEUDQEKTPFW-OAHLLOKOSA-N 0 3 304.434 3.588 20 30 DHEDHN CCC#C[C@H](C)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000685591423 1019968436 /nfs/dbraw/zinc/96/84/36/1019968436.db2.gz SHSFLZCCKYIZPT-ZDUSSCGKSA-N 0 3 300.377 3.948 20 30 DHEDHN N#Cc1cccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000731039669 1020057773 /nfs/dbraw/zinc/05/77/73/1020057773.db2.gz YLNREPBBOILZBY-HXUWFJFHSA-N 0 3 324.399 3.643 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347723048 1020120466 /nfs/dbraw/zinc/12/04/66/1020120466.db2.gz FCLMLRTWJXUCCT-CZUORRHYSA-N 0 3 319.836 3.680 20 30 DHEDHN COc1ccc(CNC(C)(C)/C=C\Cl)cc1OCCCC#N ZINC000922648265 1020188955 /nfs/dbraw/zinc/18/89/55/1020188955.db2.gz GNTOGBQHQLIKOO-HJWRWDBZSA-N 0 3 322.836 3.998 20 30 DHEDHN COc1ccc([C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)cc1 ZINC000155253837 1020206938 /nfs/dbraw/zinc/20/69/38/1020206938.db2.gz XEGLHGUCWWJJPA-MRXNPFEDSA-N 0 3 310.372 3.695 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC)cc1 ZINC000073738461 1020229232 /nfs/dbraw/zinc/22/92/32/1020229232.db2.gz ZZEGFZSDBANZPP-JKSUJKDBSA-N 0 3 318.461 3.549 20 30 DHEDHN CN(C)Cc1cccc(NC(=O)C(C)(C)c2ccc(C#N)cc2)c1 ZINC000858429750 1032891426 /nfs/dbraw/zinc/89/14/26/1032891426.db2.gz QVELCBPLYNPZAT-UHFFFAOYSA-N 0 3 321.424 3.536 20 30 DHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000156161639 1020322502 /nfs/dbraw/zinc/32/25/02/1020322502.db2.gz DJWPANUJWAHIII-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN CCN(Cc1ccc(C(=O)OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125759871 1020345169 /nfs/dbraw/zinc/34/51/69/1020345169.db2.gz DXMSWSVWKJWCLL-HNNXBMFYSA-N 0 3 322.408 3.928 20 30 DHEDHN C=CCN(CC1CCCCC1)C(=O)c1cccc(CN(C)C)c1 ZINC000156408933 1020347386 /nfs/dbraw/zinc/34/73/86/1020347386.db2.gz YYSQKHSYABQAMR-UHFFFAOYSA-N 0 3 314.473 3.957 20 30 DHEDHN CCOc1ccc(CNCCSCc2ccccc2C#N)o1 ZINC000892457064 1020375585 /nfs/dbraw/zinc/37/55/85/1020375585.db2.gz DYVPHOTVAITAAC-UHFFFAOYSA-N 0 3 316.426 3.573 20 30 DHEDHN C=CCOc1ccccc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000091960381 1020404676 /nfs/dbraw/zinc/40/46/76/1020404676.db2.gz XOFMRZIUVGSPLH-WMZOPIPTSA-N 0 3 311.429 3.531 20 30 DHEDHN C=CC[C@H](N[C@H](C)c1ccc([S@](C)=O)cc1)c1ccncc1 ZINC000766019576 1020447877 /nfs/dbraw/zinc/44/78/77/1020447877.db2.gz MOTONKQJPDGNPL-GHNFSYLKSA-N 0 3 314.454 3.787 20 30 DHEDHN C=CC[C@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000766021994 1020470656 /nfs/dbraw/zinc/47/06/56/1020470656.db2.gz VRGUTIJMBUQKCC-PBHICJAKSA-N 0 3 310.397 3.821 20 30 DHEDHN Cc1nc(C)c(CN2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000347983464 1020476545 /nfs/dbraw/zinc/47/65/45/1020476545.db2.gz BAHUCINJNONCFO-UHFFFAOYSA-N 0 3 309.438 3.921 20 30 DHEDHN C=CCOCCCN[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000348039186 1020487650 /nfs/dbraw/zinc/48/76/50/1020487650.db2.gz SVIRFEJWPOWAKY-SNVBAGLBSA-N 0 3 308.369 3.795 20 30 DHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925513 1020488278 /nfs/dbraw/zinc/48/82/78/1020488278.db2.gz FPPLFKKAUUPPOG-AWEZNQCLSA-N 0 3 319.408 3.758 20 30 DHEDHN CSCc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000921692028 1020489836 /nfs/dbraw/zinc/48/98/36/1020489836.db2.gz ASBXNMGWVHAGSO-UHFFFAOYSA-N 0 3 312.438 3.742 20 30 DHEDHN CCCCCCC[C@@H](C)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000734269353 1020579993 /nfs/dbraw/zinc/57/99/93/1020579993.db2.gz IBNVLDTVKSWUCG-HZPDHXFCSA-N 0 3 309.498 3.519 20 30 DHEDHN CC1(C)[C@H](NCc2ccc(F)c(C#N)c2Cl)[C@H]2CCCO[C@H]21 ZINC000365244464 1020583941 /nfs/dbraw/zinc/58/39/41/1020583941.db2.gz JNKOVYVOBSZTLM-HFBAOOFYSA-N 0 3 322.811 3.644 20 30 DHEDHN C=CC[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccncc1 ZINC000734510200 1020617915 /nfs/dbraw/zinc/61/79/15/1020617915.db2.gz UISLVKDIKBBRJC-HXUWFJFHSA-N 0 3 320.440 3.838 20 30 DHEDHN CC(C)(C#N)CCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000318448765 1020669430 /nfs/dbraw/zinc/66/94/30/1020669430.db2.gz QTDWQSLFAGLTJN-UHFFFAOYSA-N 0 3 303.425 3.668 20 30 DHEDHN CCCCCCCN1CCN(CCOc2ccccc2)CC1 ZINC000740873480 1020957362 /nfs/dbraw/zinc/95/73/62/1020957362.db2.gz DNPCGLCJDMVSNF-UHFFFAOYSA-N 0 3 304.478 3.653 20 30 DHEDHN CC1(C)CO[C@@H](CCC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000892553019 1020986454 /nfs/dbraw/zinc/98/64/54/1020986454.db2.gz HGAVHWPGXOGCRY-STQMWFEESA-N 0 3 312.369 3.599 20 30 DHEDHN COc1ccc(CN[C@@H](c2ccc(F)cc2)C2CC2)cc1C#N ZINC000742370199 1021107148 /nfs/dbraw/zinc/10/71/48/1021107148.db2.gz VWKBMYNFOVBSRD-LJQANCHMSA-N 0 3 310.372 3.947 20 30 DHEDHN C=CCN(Cc1ccccc1F)C(=O)C[C@H]1NCc2ccccc21 ZINC000659255573 1021294510 /nfs/dbraw/zinc/29/45/10/1021294510.db2.gz DHCAHDUEHCVWPD-LJQANCHMSA-N 0 3 324.399 3.575 20 30 DHEDHN CCOCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000850355473 1021483779 /nfs/dbraw/zinc/48/37/79/1021483779.db2.gz JNZMKVKQTRLDAC-UHFFFAOYSA-N 0 3 324.424 3.956 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(OC(F)F)cc1 ZINC000618742314 1021501004 /nfs/dbraw/zinc/50/10/04/1021501004.db2.gz MKFNTGLPGIHIIR-QGZVFWFLSA-N 0 3 314.335 3.937 20 30 DHEDHN CC(=O)Nc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618804435 1021531265 /nfs/dbraw/zinc/53/12/65/1021531265.db2.gz LFZSSMDMBSBDGS-RBZFPXEDSA-N 0 3 319.408 3.855 20 30 DHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000618801925 1021532150 /nfs/dbraw/zinc/53/21/50/1021532150.db2.gz BSINAKJTFGUXTL-UGSOOPFHSA-N 0 3 320.392 3.668 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850739140 1021634962 /nfs/dbraw/zinc/63/49/62/1021634962.db2.gz SOJBIQNNMIVWQB-ZIAGYGMSSA-N 0 3 307.397 3.720 20 30 DHEDHN CCCCCCCC[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000850753281 1021640314 /nfs/dbraw/zinc/64/03/14/1021640314.db2.gz XERFPIMQLQXZJX-HOTGVXAUSA-N 0 3 306.450 3.704 20 30 DHEDHN Cc1cc(C)cc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000538206083 1033005528 /nfs/dbraw/zinc/00/55/28/1033005528.db2.gz CTFUTHWTZHCYKL-HZPDHXFCSA-N 0 3 321.424 3.853 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000556518065 1021752230 /nfs/dbraw/zinc/75/22/30/1021752230.db2.gz CTUBTUJYQWTION-IAGOWNOFSA-N 0 3 323.358 3.700 20 30 DHEDHN C[C@@H]1CCCC[C@H]1N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173190510 1021752697 /nfs/dbraw/zinc/75/26/97/1021752697.db2.gz BCWFBIQWDTYGQV-CZUORRHYSA-N 0 3 310.401 3.619 20 30 DHEDHN CC(C)(C)O[C@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000155105241 1021923391 /nfs/dbraw/zinc/92/33/91/1021923391.db2.gz VMCPJKOKHSEBMV-YJBOKZPZSA-N 0 3 308.381 3.814 20 30 DHEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CCC1 ZINC000348450017 1033020404 /nfs/dbraw/zinc/02/04/04/1033020404.db2.gz BIRUHCZMJLSWGQ-RDJZCZTQSA-N 0 3 300.446 3.540 20 30 DHEDHN C=CCN(CCC(=O)OCc1ccccc1)Cc1cccs1 ZINC000776574972 1022092959 /nfs/dbraw/zinc/09/29/59/1022092959.db2.gz MSQCBKDPKCBHHE-UHFFFAOYSA-N 0 3 315.438 3.870 20 30 DHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cn(Cc2ccccc2)nn1 ZINC000852303477 1022102145 /nfs/dbraw/zinc/10/21/45/1022102145.db2.gz QIKFYOQDXZSBHX-IEBWSBKVSA-N 0 3 310.445 3.551 20 30 DHEDHN C#CCN(CC)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000746457812 1022111924 /nfs/dbraw/zinc/11/19/24/1022111924.db2.gz QURBLJIWTGHZLK-MRXNPFEDSA-N 0 3 306.409 3.955 20 30 DHEDHN COc1cccc2cc(CN(C)Cc3ccc(C#N)cc3)oc21 ZINC000920490710 1022129082 /nfs/dbraw/zinc/12/90/82/1022129082.db2.gz VUGXZONQWZFOMS-UHFFFAOYSA-N 0 3 306.365 3.945 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000853597664 1022297096 /nfs/dbraw/zinc/29/70/96/1022297096.db2.gz DIWKRKISMZBIGV-SVFBPWRDSA-N 0 3 324.468 3.608 20 30 DHEDHN CCCN(CCC#N)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169304996 1022353214 /nfs/dbraw/zinc/35/32/14/1022353214.db2.gz VWRWJPNKOYIVOU-UHFFFAOYSA-N 0 3 314.429 3.780 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC000538391777 1033048674 /nfs/dbraw/zinc/04/86/74/1033048674.db2.gz UEMZCISIJSQTLI-LPHOPBHVSA-N 0 3 312.457 3.625 20 30 DHEDHN C=CCOc1ccccc1[C@H](C)N[C@H](C)CC(=O)N(CC)CC ZINC001169448681 1022408032 /nfs/dbraw/zinc/40/80/32/1022408032.db2.gz KYQCDPRTRPFLSP-CVEARBPZSA-N 0 3 318.461 3.549 20 30 DHEDHN C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(C#N)c(F)c1 ZINC000776738667 1022478510 /nfs/dbraw/zinc/47/85/10/1022478510.db2.gz ONLMQZQRZCRGEQ-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN N#CC(C(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccccn1 ZINC000103329828 1022505414 /nfs/dbraw/zinc/50/54/14/1022505414.db2.gz ZUUVYJQRNUMYDS-UONOGXRCSA-N 0 3 318.298 3.994 20 30 DHEDHN COc1ccc([C@@H]2CCN(CC#Cc3ccc(F)cc3)C2)cc1 ZINC000157907831 1022586394 /nfs/dbraw/zinc/58/63/94/1022586394.db2.gz DEBRYPFCZLSUGG-GOSISDBHSA-N 0 3 309.384 3.675 20 30 DHEDHN Cn1ncc2c1CCC[C@H]2N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000584695199 1022624574 /nfs/dbraw/zinc/62/45/74/1022624574.db2.gz YKFUMOXQFZVVJW-RBUKOAKNSA-N 0 3 320.440 3.726 20 30 DHEDHN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000584695198 1022625156 /nfs/dbraw/zinc/62/51/56/1022625156.db2.gz YKFUMOXQFZVVJW-OALUTQOASA-N 0 3 320.440 3.726 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(OCC)c(F)c2)cc1 ZINC000113338710 1022635441 /nfs/dbraw/zinc/63/54/41/1022635441.db2.gz ONHITNBJSDGESW-UHFFFAOYSA-N 0 3 313.372 3.526 20 30 DHEDHN CC[C@H](C#N)Oc1cc(CNCc2ccccc2)ccc1OC ZINC000113347642 1022636229 /nfs/dbraw/zinc/63/62/29/1022636229.db2.gz NHQFUNJCAJEDMA-QGZVFWFLSA-N 0 3 310.397 3.666 20 30 DHEDHN CC(C)N(C)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000616475754 1022719754 /nfs/dbraw/zinc/71/97/54/1022719754.db2.gz UQQFHHGQYNVTCA-HNNXBMFYSA-N 0 3 308.429 3.649 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/C2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000162450894 1022811561 /nfs/dbraw/zinc/81/15/61/1022811561.db2.gz ZDAWFNNGGBTFLD-GJYIUCAPSA-N 0 3 304.434 3.613 20 30 DHEDHN C=C(C)CN(CC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768139684 1022905318 /nfs/dbraw/zinc/90/53/18/1022905318.db2.gz GXMUPUSMSQCXIR-UHFFFAOYSA-N 0 3 313.195 3.755 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCC(=O)c1ccc(Cl)cc1 ZINC001172290834 1033096677 /nfs/dbraw/zinc/09/66/77/1033096677.db2.gz SLSDHHLLXKWKNN-ZDUSSCGKSA-N 0 3 312.800 3.615 20 30 DHEDHN C=CCOc1ccccc1CN1CCC(O)(c2ccccc2)CC1 ZINC000768526076 1022980651 /nfs/dbraw/zinc/98/06/51/1022980651.db2.gz JQXIGKPVASDDKO-UHFFFAOYSA-N 0 3 323.436 3.735 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1 ZINC000876617311 1033106559 /nfs/dbraw/zinc/10/65/59/1033106559.db2.gz KCYDIOJDBAWDEJ-OCCSQVGLSA-N 0 3 320.820 3.812 20 30 DHEDHN C#CCOc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000769317533 1023120794 /nfs/dbraw/zinc/12/07/94/1023120794.db2.gz SBVSZVKONCBPNO-OAQYLSRUSA-N 0 3 321.420 3.662 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)ccc1SCC ZINC000876647689 1033115753 /nfs/dbraw/zinc/11/57/53/1033115753.db2.gz IINMKLRLUKVYAB-JTQLQIEISA-N 0 3 319.257 3.860 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000876670880 1033117397 /nfs/dbraw/zinc/11/73/97/1033117397.db2.gz HCYZRYZBWYOSSW-GZMMTYOYSA-N 0 3 321.635 3.641 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1C)C(C)(C)C ZINC000876687312 1033122218 /nfs/dbraw/zinc/12/22/18/1033122218.db2.gz NICUNELNVVLWPM-LSDHHAIUSA-N 0 3 308.853 3.668 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000876698313 1033126649 /nfs/dbraw/zinc/12/66/49/1033126649.db2.gz OFFPIDHTWAQCBX-JKSUJKDBSA-N 0 3 324.827 3.643 20 30 DHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(-c2cc(C)ccn2)no1 ZINC000661114426 1023483921 /nfs/dbraw/zinc/48/39/21/1023483921.db2.gz HDGQIHVTVXCJGA-GJZGRUSLSA-N 0 3 312.417 3.665 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC000771938367 1023491205 /nfs/dbraw/zinc/49/12/05/1023491205.db2.gz JRMWCIUQIJQCFM-HXUWFJFHSA-N 0 3 305.425 3.983 20 30 DHEDHN CCc1ccc([C@H]2CCCN(Cc3cc(C#N)ccn3)C2)cc1 ZINC001170038457 1023518567 /nfs/dbraw/zinc/51/85/67/1023518567.db2.gz FHASYPJVMUCMQH-IBGZPJMESA-N 0 3 305.425 3.895 20 30 DHEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000661208042 1023526143 /nfs/dbraw/zinc/52/61/43/1023526143.db2.gz FFHRVICYULZXMP-QUCCMNQESA-N 0 3 311.425 3.701 20 30 DHEDHN CCCCCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786550806 1023709791 /nfs/dbraw/zinc/70/97/91/1023709791.db2.gz YVPISNDJXFQALH-KRWDZBQOSA-N 0 3 314.429 3.681 20 30 DHEDHN C=CCN(CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C(C)(C)C ZINC000661754715 1023729819 /nfs/dbraw/zinc/72/98/19/1023729819.db2.gz BTUNKZYMVOEBLG-AWEZNQCLSA-N 0 3 306.425 3.632 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000787035471 1023751355 /nfs/dbraw/zinc/75/13/55/1023751355.db2.gz VOOXITXGDNAPBN-YCRPNKLZSA-N 0 3 316.404 3.908 20 30 DHEDHN C=CCC1(NCc2nnc(-c3cc(C)oc3C)o2)CCCC1 ZINC000661848114 1023777252 /nfs/dbraw/zinc/77/72/52/1023777252.db2.gz AHBBEUNBCWVHTR-UHFFFAOYSA-N 0 3 301.390 3.925 20 30 DHEDHN C=C(Cl)CN[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788259154 1023865949 /nfs/dbraw/zinc/86/59/49/1023865949.db2.gz VAYNZIYJJAZHHP-STQMWFEESA-N 0 3 302.846 3.555 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000662084638 1023891732 /nfs/dbraw/zinc/89/17/32/1023891732.db2.gz UCDACBAFFIJOKP-VBQJREDUSA-N 0 3 316.832 3.628 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000876899112 1033178309 /nfs/dbraw/zinc/17/83/09/1033178309.db2.gz GNJBCGDLYHTGOK-JKSUJKDBSA-N 0 3 306.837 3.504 20 30 DHEDHN C#CCN1CCC(C(=O)N[C@@H](CCCC=C)c2ccccc2)CC1 ZINC000882234867 1024005040 /nfs/dbraw/zinc/00/50/40/1024005040.db2.gz ZKZJQWVYTOTXGF-FQEVSTJZSA-N 0 3 324.468 3.545 20 30 DHEDHN Clc1ccc(C#CCN2CCCC3(CCOCC3)C2)cc1 ZINC000267331264 1024052770 /nfs/dbraw/zinc/05/27/70/1024052770.db2.gz AETOYUOAKKSDQK-UHFFFAOYSA-N 0 3 303.833 3.584 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CCC3(C2)CCOCC3)cc1 ZINC000267424628 1024053056 /nfs/dbraw/zinc/05/30/56/1024053056.db2.gz XESSEMLLVAKDEX-UHFFFAOYSA-N 0 3 323.358 3.559 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000876941117 1033187752 /nfs/dbraw/zinc/18/77/52/1033187752.db2.gz IBMDNTGYEBTGMV-SJORKVTESA-N 0 3 320.864 3.943 20 30 DHEDHN C[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccc(C#N)cc1 ZINC000531488943 1024174388 /nfs/dbraw/zinc/17/43/88/1024174388.db2.gz UYRPQRMAGSHITQ-AWEZNQCLSA-N 0 3 302.381 3.799 20 30 DHEDHN C[C@H](CCCC#N)NCc1ncc(C(F)(F)F)cc1Cl ZINC001172480356 1033192827 /nfs/dbraw/zinc/19/28/27/1033192827.db2.gz SGBLDMMNOBKUSO-SECBINFHSA-N 0 3 305.731 3.926 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCc2ccccc2[C@H]1CO ZINC000269009770 1024221447 /nfs/dbraw/zinc/22/14/47/1024221447.db2.gz UINKFUNUERQRBC-HXUWFJFHSA-N 0 3 320.436 3.579 20 30 DHEDHN C=C(C)[C@H](N[C@@H](C)Cc1cnccn1)c1ccc(F)c(F)c1 ZINC000453197030 1024395229 /nfs/dbraw/zinc/39/52/29/1024395229.db2.gz MZZNZTXNHVAETO-SJCJKPOMSA-N 0 3 303.356 3.593 20 30 DHEDHN C#CCCOc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000791000409 1024415341 /nfs/dbraw/zinc/41/53/41/1024415341.db2.gz UVNRHTHNMDYNAQ-UHFFFAOYSA-N 0 3 324.380 3.595 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Cl)cc1C(C)C ZINC000877027656 1033209748 /nfs/dbraw/zinc/20/97/48/1033209748.db2.gz PHFPSKHQGKOLBY-LBPRGKRZSA-N 0 3 301.217 3.872 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000303253230 1024450993 /nfs/dbraw/zinc/45/09/93/1024450993.db2.gz BKCJWOKKPUZSGL-FUHWJXTLSA-N 0 3 321.509 3.541 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Br)cc1F ZINC000453361742 1024471415 /nfs/dbraw/zinc/47/14/15/1024471415.db2.gz PIDLDUUCFBIIGP-FZZIBODNSA-N 0 3 314.198 3.582 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Br)cc1F ZINC000453361741 1024471918 /nfs/dbraw/zinc/47/19/18/1024471918.db2.gz PIDLDUUCFBIIGP-FZQKWOKYSA-N 0 3 314.198 3.582 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C#N)c(F)c1 ZINC000453395096 1024512689 /nfs/dbraw/zinc/51/26/89/1024512689.db2.gz WUPILBVWIJJYMO-IBGZPJMESA-N 0 3 305.356 3.736 20 30 DHEDHN C=CCC(CC=C)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000532071891 1024538785 /nfs/dbraw/zinc/53/87/85/1024538785.db2.gz LQFBWSFPJCJOMA-UHFFFAOYSA-N 0 3 312.457 3.884 20 30 DHEDHN C#CCCOc1ccc(CN[C@H](C)c2cccc(OC)c2)cc1 ZINC000264975999 1033219666 /nfs/dbraw/zinc/21/96/66/1033219666.db2.gz SGPADOLXCIUMEJ-MRXNPFEDSA-N 0 3 309.409 3.948 20 30 DHEDHN Cc1ccc2c(c1)[C@@H](NCc1cnc3ccc(C#N)cn13)[C@H](C)C2 ZINC000585767339 1024603953 /nfs/dbraw/zinc/60/39/53/1024603953.db2.gz RSSUHUVYUUIUAS-VLIAUNLRSA-N 0 3 316.408 3.538 20 30 DHEDHN CN(Cc1cnc2ccc(C#N)cn12)C(C)(C)c1ccccc1 ZINC000585767826 1024605079 /nfs/dbraw/zinc/60/50/79/1024605079.db2.gz GMTCHZIYXSAEFV-UHFFFAOYSA-N 0 3 304.397 3.573 20 30 DHEDHN C=CCC[C@@H](N[C@H](C)CNC(=O)OC(C)(C)C)c1ccco1 ZINC000796942302 1024671444 /nfs/dbraw/zinc/67/14/44/1024671444.db2.gz FAFZGZLOTXFTAF-ZIAGYGMSSA-N 0 3 308.422 3.790 20 30 DHEDHN C[C@H](CCCC#N)NCC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC001172489766 1033224029 /nfs/dbraw/zinc/22/40/29/1033224029.db2.gz ZKUPLTHEDXMGRO-SNVBAGLBSA-N 0 3 316.298 3.699 20 30 DHEDHN C[C@H](Cc1ccccc1Cl)NC(=N)c1ccc(Cl)cn1 ZINC001170254533 1024724307 /nfs/dbraw/zinc/72/43/07/1024724307.db2.gz ICTSWJKRFCJMMY-SNVBAGLBSA-N 0 3 308.212 3.725 20 30 DHEDHN CC(C)O[C@@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C1(C)C ZINC001170399969 1024767693 /nfs/dbraw/zinc/76/76/93/1024767693.db2.gz OVGGFXZEFHHKAR-DLBZAZTESA-N 0 3 305.849 3.873 20 30 DHEDHN C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)C(C)(C)C1 ZINC000350181886 1024797977 /nfs/dbraw/zinc/79/79/77/1024797977.db2.gz UBFOPPJUSQFFEM-HNNXBMFYSA-N 0 3 323.440 3.858 20 30 DHEDHN CCCCCCCC[C@@H](CC)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001172505500 1033235725 /nfs/dbraw/zinc/23/57/25/1033235725.db2.gz OEVHIHLYDQCHJI-HZPDHXFCSA-N 0 3 303.512 3.635 20 30 DHEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000877087168 1033236698 /nfs/dbraw/zinc/23/66/98/1033236698.db2.gz GVVYUGGJMRMNMS-OAHLLOKOSA-N 0 3 319.836 3.578 20 30 DHEDHN CCN1CCN(c2cccc(N[C@H](C)CC(C)(C)C#N)c2)CC1 ZINC000893662079 1024866735 /nfs/dbraw/zinc/86/67/35/1024866735.db2.gz SVSWYMJOHPSJPM-MRXNPFEDSA-N 0 3 314.477 3.569 20 30 DHEDHN CCC(CC)[C@H](CCNCc1cc(C#N)cnc1Cl)OC ZINC000877117037 1033243033 /nfs/dbraw/zinc/24/30/33/1033243033.db2.gz ZTDDRJYHVNFSKA-HNNXBMFYSA-N 0 3 309.841 3.538 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000182117362 1024907711 /nfs/dbraw/zinc/90/77/11/1024907711.db2.gz VPMKNXJYSAWGTQ-HZPDHXFCSA-N 0 3 318.829 3.893 20 30 DHEDHN C[C@@H](NC[C@@H]1CCCC2(CCC2)O1)c1ccc(C#N)cc1F ZINC000927014352 1033249790 /nfs/dbraw/zinc/24/97/90/1033249790.db2.gz ZTHFNNDOPHMWRH-HIFRSBDPSA-N 0 3 302.393 3.840 20 30 DHEDHN CCN(Cc1ccc(OC)c(O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119860885 1025000193 /nfs/dbraw/zinc/00/01/93/1025000193.db2.gz DSQPMPOSEBNTKK-AWEZNQCLSA-N 0 3 310.397 3.856 20 30 DHEDHN C=CCOc1cccc(CN(CCCO)Cc2ccccc2)c1 ZINC000353332209 1025030444 /nfs/dbraw/zinc/03/04/44/1025030444.db2.gz YPCUAADEFYQFTN-UHFFFAOYSA-N 0 3 311.425 3.636 20 30 DHEDHN C[C@H](NC[C@@H]1CCCC2(CCC2)O1)c1ccc(C#N)cc1F ZINC000927014366 1033250892 /nfs/dbraw/zinc/25/08/92/1033250892.db2.gz ZTHFNNDOPHMWRH-ZFWWWQNUSA-N 0 3 302.393 3.840 20 30 DHEDHN CCC[C@H](NCc1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000279574414 1025077696 /nfs/dbraw/zinc/07/76/96/1025077696.db2.gz AXNCGBMBFSBGNG-RBUKOAKNSA-N 0 3 312.388 3.689 20 30 DHEDHN CCN(CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCC1 ZINC000125002011 1025096810 /nfs/dbraw/zinc/09/68/10/1025096810.db2.gz RFUHMUDDPIWYCV-UHFFFAOYSA-N 0 3 319.836 3.805 20 30 DHEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(OC)c1)CCC2 ZINC000353663869 1025188887 /nfs/dbraw/zinc/18/88/87/1025188887.db2.gz VRQRJZHVNPNFKF-IBGZPJMESA-N 0 3 322.408 3.743 20 30 DHEDHN C=CC[C@@H](C)N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001167889378 1025192164 /nfs/dbraw/zinc/19/21/64/1025192164.db2.gz LEEWNYQUPMQXRD-GDBMZVCRSA-N 0 3 312.413 3.592 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC(F)(F)CC1 ZINC000136098644 1025383915 /nfs/dbraw/zinc/38/39/15/1025383915.db2.gz NZZVAYOKIDTVDR-LBPRGKRZSA-N 0 3 317.339 3.575 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3cccc3)cc2)n1 ZINC000041518915 1025407379 /nfs/dbraw/zinc/40/73/79/1025407379.db2.gz HXVSZOAHTMEFSJ-OAHLLOKOSA-N 0 3 307.378 3.732 20 30 DHEDHN C=C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000136583140 1025470410 /nfs/dbraw/zinc/47/04/10/1025470410.db2.gz DEAGEAFUDJZVBR-YJBOKZPZSA-N 0 3 324.424 3.504 20 30 DHEDHN CC[C@H](SC)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000747233165 1025562984 /nfs/dbraw/zinc/56/29/84/1025562984.db2.gz HZYQQYLBVXSGJI-KOLCDFICSA-N 0 3 308.403 3.753 20 30 DHEDHN CSc1ccc(CNCc2ccc(N(C)C)cc2)cc1C#N ZINC000886278888 1025581274 /nfs/dbraw/zinc/58/12/74/1025581274.db2.gz LGFANYSNYWMGJM-UHFFFAOYSA-N 0 3 311.454 3.636 20 30 DHEDHN C=CCCC1(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000355038428 1025588196 /nfs/dbraw/zinc/58/81/96/1025588196.db2.gz LEIYKDUBOZQLDA-WMZOPIPTSA-N 0 3 312.457 3.685 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000886354026 1025599592 /nfs/dbraw/zinc/59/95/92/1025599592.db2.gz UWRBWIJFQFIWSD-CYBMUJFWSA-N 0 3 300.789 3.840 20 30 DHEDHN C#CCC1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000886381736 1025610640 /nfs/dbraw/zinc/61/06/40/1025610640.db2.gz PQRRGHMOUPDPPX-UHFFFAOYSA-N 0 3 321.420 3.721 20 30 DHEDHN COc1cc(CN(C)Cc2ccc(C(C)(C)C#N)cc2)ccc1O ZINC000614164669 1025787071 /nfs/dbraw/zinc/78/70/71/1025787071.db2.gz OGMFTAXCURDAEV-UHFFFAOYSA-N 0 3 324.424 3.834 20 30 DHEDHN CC[C@@H](COCC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1F ZINC000453258046 1025860565 /nfs/dbraw/zinc/86/05/65/1025860565.db2.gz NUOGKWJSQNBBQW-PWSUYJOCSA-N 0 3 318.314 3.705 20 30 DHEDHN C=CCC[C@H](NC[C@@H]1CC[C@@]2(CO[C@@H](C)C2)O1)c1ccco1 ZINC000886766084 1025883328 /nfs/dbraw/zinc/88/33/28/1025883328.db2.gz BOJZXFBEWRZUEA-NBOOPKSLSA-N 0 3 305.418 3.603 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H]([C@@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000886816217 1025938946 /nfs/dbraw/zinc/93/89/46/1025938946.db2.gz PIOJQKTTYNDKNM-ZBFHGGJFSA-N 0 3 324.346 3.578 20 30 DHEDHN N#Cc1csc(CN(CCc2cccc(F)c2)C2CC2)c1 ZINC000093438623 1025950302 /nfs/dbraw/zinc/95/03/02/1025950302.db2.gz STEDWTLTYUTVTL-UHFFFAOYSA-N 0 3 300.402 3.966 20 30 DHEDHN N#CC1(CCN2CCCC[C@H]2[C@H](O)C(F)(F)F)CCCCC1 ZINC000411420575 1025999664 /nfs/dbraw/zinc/99/96/64/1025999664.db2.gz QQTBVTIJCKKOSC-KBPBESRZSA-N 0 3 318.383 3.628 20 30 DHEDHN COc1ccccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000084881100 1026005853 /nfs/dbraw/zinc/00/58/53/1026005853.db2.gz HBZMPQGXSBLFJG-UHFFFAOYSA-N 0 3 321.424 3.643 20 30 DHEDHN C=CCCC1(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000356386928 1026038545 /nfs/dbraw/zinc/03/85/45/1026038545.db2.gz WSDOJUGHVOBWES-AEFFLSMTSA-N 0 3 312.457 3.512 20 30 DHEDHN N#CC1(CCN2CC[C@]3(C2)OCc2ccccc23)CCCCC1 ZINC000411547344 1026061520 /nfs/dbraw/zinc/06/15/20/1026061520.db2.gz VUPOECPMINWDLX-HXUWFJFHSA-N 0 3 310.441 3.982 20 30 DHEDHN C=CCN1CCC(NC(=O)c2ccc(C)c3ccccc23)CC1 ZINC000412034060 1026132537 /nfs/dbraw/zinc/13/25/37/1026132537.db2.gz FOALGODNUQJZHA-UHFFFAOYSA-N 0 3 308.425 3.528 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000532976450 1026159750 /nfs/dbraw/zinc/15/97/50/1026159750.db2.gz ADMCWETZOWUOJB-LBPRGKRZSA-N 0 3 314.351 3.930 20 30 DHEDHN CC[C@@H](CNCc1ccc(C#N)cc1F)Oc1ccccc1F ZINC000532987320 1026165353 /nfs/dbraw/zinc/16/53/53/1026165353.db2.gz VQGOSUHXVAGVMX-HNNXBMFYSA-N 0 3 316.351 3.784 20 30 DHEDHN Cc1cc(C#N)ccc1CN(C)C[C@@H]1OCCc2ccccc21 ZINC000614397346 1026291510 /nfs/dbraw/zinc/29/15/10/1026291510.db2.gz NCNRYBPJJQNDEV-FQEVSTJZSA-N 0 3 306.409 3.613 20 30 DHEDHN C=CCN1CCC(NC(=O)N(C)C2CCC(CCC)CC2)CC1 ZINC000188691399 1026319868 /nfs/dbraw/zinc/31/98/68/1026319868.db2.gz OJHFALCBTVDKEY-UHFFFAOYSA-N 0 3 321.509 3.637 20 30 DHEDHN CCC[C@@H](C)N(C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747524341 1026374991 /nfs/dbraw/zinc/37/49/91/1026374991.db2.gz IKLWDVUAOVKOFC-QGZVFWFLSA-N 0 3 315.461 3.671 20 30 DHEDHN C=CCN1CCC(Nc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000809354026 1026508966 /nfs/dbraw/zinc/50/89/66/1026508966.db2.gz ZYUMQXVLLOYPRX-UHFFFAOYSA-N 0 3 319.758 3.816 20 30 DHEDHN C#Cc1ccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000809609313 1026564079 /nfs/dbraw/zinc/56/40/79/1026564079.db2.gz GZEZQCCMCLHWQY-MRXNPFEDSA-N 0 3 318.420 3.646 20 30 DHEDHN C#C[C@H](C)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000809683475 1026591425 /nfs/dbraw/zinc/59/14/25/1026591425.db2.gz CRLRCLNBJXZXCG-KRWDZBQOSA-N 0 3 315.420 3.710 20 30 DHEDHN C#C[C@@H](CC)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000809685931 1026593299 /nfs/dbraw/zinc/59/32/99/1026593299.db2.gz AEZPIKOISRCYCT-SFHVURJKSA-N 0 3 309.409 3.776 20 30 DHEDHN C#C[C@@H](NCc1ccc(OCC(F)(F)F)c(F)c1)C(C)C ZINC000809685263 1026593652 /nfs/dbraw/zinc/59/36/52/1026593652.db2.gz KPZNAMUHRSEUNR-CYBMUJFWSA-N 0 3 303.299 3.514 20 30 DHEDHN C#C[C@@H](NCc1c[nH]nc1-c1cccc(Cl)c1)C(C)(C)C ZINC000809781264 1026622938 /nfs/dbraw/zinc/62/29/38/1026622938.db2.gz MJYCUQMJNQUERX-OAHLLOKOSA-N 0 3 301.821 3.868 20 30 DHEDHN C#C[C@@H](NCc1cc(Cl)c(OC)c(OCC)c1)C(C)(C)C ZINC000809782931 1026623820 /nfs/dbraw/zinc/62/38/20/1026623820.db2.gz LHJCSQMAMKYRTA-OAHLLOKOSA-N 0 3 309.837 3.885 20 30 DHEDHN Cc1ccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000419831280 1026767130 /nfs/dbraw/zinc/76/71/30/1026767130.db2.gz HKFMRBWMMIZBNV-CYBMUJFWSA-N 0 3 313.426 3.995 20 30 DHEDHN C#C[C@@H](N[C@H](C)Cc1cccc(OC)n1)c1ccc(Cl)cc1 ZINC000811516873 1027017771 /nfs/dbraw/zinc/01/77/71/1027017771.db2.gz WYWAOSUKGRGFDS-CXAGYDPISA-N 0 3 314.816 3.639 20 30 DHEDHN C#C[C@H](NCCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC000811516541 1027018626 /nfs/dbraw/zinc/01/86/26/1027018626.db2.gz OYUAOELOPWBTOM-HNNXBMFYSA-N 0 3 322.836 3.519 20 30 DHEDHN CC(C)N(Cc1cc(C#N)ccc1Br)CC1CC1 ZINC000572578022 1027215108 /nfs/dbraw/zinc/21/51/08/1027215108.db2.gz SGKVPBPOUUCOPQ-UHFFFAOYSA-N 0 3 307.235 3.941 20 30 DHEDHN COc1cc2c(cc1O)CCN(CCCCC1(C#N)CCC1)C2 ZINC000931762117 1027247882 /nfs/dbraw/zinc/24/78/82/1027247882.db2.gz JYKAIKZZQQXXHQ-UHFFFAOYSA-N 0 3 314.429 3.623 20 30 DHEDHN C=C1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000362502814 1027249625 /nfs/dbraw/zinc/24/96/25/1027249625.db2.gz OSWNWZFPNVMJMI-UHFFFAOYSA-N 0 3 312.335 3.686 20 30 DHEDHN C#C[C@@H](N[C@@H](C)CCc1n[nH]c2ccccc12)c1ccc(F)cc1 ZINC000812795259 1027422908 /nfs/dbraw/zinc/42/29/08/1027422908.db2.gz PEGDOCDMBQSPCQ-KBXCAEBGSA-N 0 3 321.399 3.987 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN2CC3(CCC3)[C@@H]2c2ccccc2)cc1 ZINC000295823240 1027446449 /nfs/dbraw/zinc/44/64/49/1027446449.db2.gz CEKAWCSXVGFWLJ-PMACEKPBSA-N 0 3 318.420 3.819 20 30 DHEDHN CN(CCCCC(C)(C)C#N)CC(=O)NCCC1=CCCCC1 ZINC000933357689 1027721580 /nfs/dbraw/zinc/72/15/80/1027721580.db2.gz MOKPOTOBGZZBDE-UHFFFAOYSA-N 0 3 319.493 3.645 20 30 DHEDHN N#Cc1ccc(CN[C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000813854927 1027730870 /nfs/dbraw/zinc/73/08/70/1027730870.db2.gz IDUUNNQTCOOXJA-XLIONFOSSA-N 0 3 324.399 3.955 20 30 DHEDHN C=CC[C@H](N[C@@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccncc1 ZINC000813856902 1027733332 /nfs/dbraw/zinc/73/33/32/1027733332.db2.gz DLQUIMPESTYLAF-KXBFYZLASA-N 0 3 323.440 3.751 20 30 DHEDHN CCc1noc(C)c1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612074 1027772130 /nfs/dbraw/zinc/77/21/30/1027772130.db2.gz DJSPXEALDXMVIZ-UHFFFAOYSA-N 0 3 309.413 3.797 20 30 DHEDHN COc1cc(C)nc(CN2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000933609216 1027773129 /nfs/dbraw/zinc/77/31/29/1027773129.db2.gz FXHBYHRGANPTNY-UHFFFAOYSA-N 0 3 321.424 3.650 20 30 DHEDHN O=C1C=COC2(CCN(Cc3ccc4ccccc4c3)CC2)C1 ZINC000933652143 1027787460 /nfs/dbraw/zinc/78/74/60/1027787460.db2.gz SCLPVTYPWQJDBP-UHFFFAOYSA-N 0 3 307.393 3.678 20 30 DHEDHN N#CC1(C[C@@H](O)CNCc2ccc(-c3ccccc3)cc2F)CC1 ZINC000600737183 1027807499 /nfs/dbraw/zinc/80/74/99/1027807499.db2.gz BZZZAQYKOWSEHZ-GOSISDBHSA-N 0 3 324.399 3.637 20 30 DHEDHN N#Cc1ccc(C2=CC[N@H+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000779031498 1027936491 /nfs/dbraw/zinc/93/64/91/1027936491.db2.gz XPGLMMWUHKPDOX-UHFFFAOYSA-N 0 3 308.356 3.692 20 30 DHEDHN N#Cc1ccc(C2=CC[N@@H+](Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000779031498 1027936503 /nfs/dbraw/zinc/93/65/03/1027936503.db2.gz XPGLMMWUHKPDOX-UHFFFAOYSA-N 0 3 308.356 3.692 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000365488062 1027953914 /nfs/dbraw/zinc/95/39/14/1027953914.db2.gz CVWFZESQFHXKAZ-CJNGLKHVSA-N 0 3 314.820 3.698 20 30 DHEDHN CSCC(C)(C)NCc1ccc(C#N)cc1Br ZINC000934666986 1028067192 /nfs/dbraw/zinc/06/71/92/1028067192.db2.gz LVKUXVBOCHGRDN-UHFFFAOYSA-N 0 3 313.264 3.552 20 30 DHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2[nH]c(=O)oc2c1 ZINC000601305406 1028069584 /nfs/dbraw/zinc/06/95/84/1028069584.db2.gz VDQWABKYDPVVSV-ZBEGNZNMSA-N 0 3 319.364 3.743 20 30 DHEDHN N#CC1(c2ccccn2)CCN(CCCc2cccc(F)c2)CC1 ZINC000367068285 1028132909 /nfs/dbraw/zinc/13/29/09/1028132909.db2.gz WQPPMHCRTUCYMU-UHFFFAOYSA-N 0 3 323.415 3.711 20 30 DHEDHN Cc1ccnc([C@@H](C)N[C@H]2CCCN(c3ccccc3C#N)C2)c1 ZINC000367533404 1028198066 /nfs/dbraw/zinc/19/80/66/1028198066.db2.gz KLIBKRNSHLHSSE-AEFFLSMTSA-N 0 3 320.440 3.581 20 30 DHEDHN C=CCCCCCN(C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449028110 1028267123 /nfs/dbraw/zinc/26/71/23/1028267123.db2.gz KRSNAARRNILORT-MRXNPFEDSA-N 0 3 323.502 3.872 20 30 DHEDHN COc1ccc(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000159856678 1028277659 /nfs/dbraw/zinc/27/76/59/1028277659.db2.gz OCFKZVUFGONLGG-HNNXBMFYSA-N 0 3 310.397 3.618 20 30 DHEDHN Fc1ccc(NN=Cc2cn3cc(Cl)ccc3n2)c(F)c1F ZINC000814946876 1028301234 /nfs/dbraw/zinc/30/12/34/1028301234.db2.gz ZTMPPZODBXYXPY-UHFFFAOYSA-N 0 3 324.693 3.851 20 30 DHEDHN CCOC(=O)C1(C#N)CCN([C@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258073991 1028313074 /nfs/dbraw/zinc/31/30/74/1028313074.db2.gz HJIMDSFCZAMCRL-HZPDHXFCSA-N 0 3 308.466 3.616 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H](c2ccccc2)N(C)C)CCCC1 ZINC000449056573 1028321659 /nfs/dbraw/zinc/32/16/59/1028321659.db2.gz QSIVBUZBAFXWRE-KRWDZBQOSA-N 0 3 300.446 3.542 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000368391438 1028344743 /nfs/dbraw/zinc/34/47/43/1028344743.db2.gz DXOOJUSTSWPHJX-FQEVSTJZSA-N 0 3 322.383 3.520 20 30 DHEDHN C[C@H]1C[C@H](c2ccccc2)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000579409476 1028404330 /nfs/dbraw/zinc/40/43/30/1028404330.db2.gz SVGHIUKGLHJLNH-HNAYVOBHSA-N 0 3 316.408 3.789 20 30 DHEDHN N#CCC1(CNCc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449300602 1028520661 /nfs/dbraw/zinc/52/06/61/1028520661.db2.gz PJDCDCOPSBFSRJ-UHFFFAOYSA-N 0 3 319.380 3.872 20 30 DHEDHN C=CCOc1ccccc1CN1CCC2(CCC(O)CC2)CC1 ZINC000449368467 1028580379 /nfs/dbraw/zinc/58/03/79/1028580379.db2.gz JCBMONBHJHVGCS-UHFFFAOYSA-N 0 3 315.457 3.769 20 30 DHEDHN C=CCC[C@H](O)CN(C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000370488772 1028607821 /nfs/dbraw/zinc/60/78/21/1028607821.db2.gz SKPZGMJPNQQWCW-AZUAARDMSA-N 0 3 310.441 3.738 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cccc([C@H](C)CC)c2)CC1 ZINC000626649430 1028631301 /nfs/dbraw/zinc/63/13/01/1028631301.db2.gz BAVVBWWAGOVWHZ-OAHLLOKOSA-N 0 3 315.461 3.972 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC2CCC1CC2 ZINC000815898302 1028649130 /nfs/dbraw/zinc/64/91/30/1028649130.db2.gz YSAOTCJSSZRGNU-CVSAEHQPSA-N 0 3 307.397 3.576 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000565965175 1028660076 /nfs/dbraw/zinc/66/00/76/1028660076.db2.gz RJVRCXXEZFUGSY-BBRMVZONSA-N 0 3 308.853 3.661 20 30 DHEDHN C=C(C)CCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000449473647 1028675257 /nfs/dbraw/zinc/67/52/57/1028675257.db2.gz HZJMXAHJEBYYSJ-UHFFFAOYSA-N 0 3 320.234 3.895 20 30 DHEDHN CN1CC[C@@H](NCC#Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000566038258 1028671230 /nfs/dbraw/zinc/67/12/30/1028671230.db2.gz LMQKXTJEXOCTRB-WOJBJXKFSA-N 0 3 324.855 3.727 20 30 DHEDHN Cc1ccc(C)c(CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000076607612 1028677635 /nfs/dbraw/zinc/67/76/35/1028677635.db2.gz DZCFTHOVVYAGEY-OAHLLOKOSA-N 0 3 304.349 3.864 20 30 DHEDHN COc1cc2c(cc1OC)[C@H](C)N(CCCC#N)C[C@H](C)C2 ZINC000371361411 1028695803 /nfs/dbraw/zinc/69/58/03/1028695803.db2.gz RLODBWXZRZMAFD-KGLIPLIRSA-N 0 3 302.418 3.563 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000566301482 1028698741 /nfs/dbraw/zinc/69/87/41/1028698741.db2.gz MHNXCBRHEBJDFU-QGZVFWFLSA-N 0 3 321.380 3.531 20 30 DHEDHN N#CC(C(=O)c1cc[nH]c1C1CCC1)c1cnc2ccccc2n1 ZINC000566327008 1028703487 /nfs/dbraw/zinc/70/34/87/1028703487.db2.gz MUTPSHBVMMUNPQ-CQSZACIVSA-N 0 3 316.364 3.715 20 30 DHEDHN N#Cc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000041542546 1028747133 /nfs/dbraw/zinc/74/71/33/1028747133.db2.gz BDYLZIBKCUAUEL-HNNXBMFYSA-N 0 3 315.332 3.509 20 30 DHEDHN C=CCC1(CNCc2nccn2CC(F)(F)F)CCCC1 ZINC000449603584 1028849594 /nfs/dbraw/zinc/84/95/94/1028849594.db2.gz HGAOZMLDMUMVCI-UHFFFAOYSA-N 0 3 301.356 3.672 20 30 DHEDHN C[C@@H](OC(=O)C(C)(C)N(C)C1CCCC1)c1cccc(C#N)c1 ZINC000778630450 1029027188 /nfs/dbraw/zinc/02/71/88/1029027188.db2.gz BLHVGIFBHGYLKE-CQSZACIVSA-N 0 3 314.429 3.815 20 30 DHEDHN C[C@H](OC(=O)C(C)(C)N(C)C1CCCC1)c1cccc(C#N)c1 ZINC000778630449 1029027445 /nfs/dbraw/zinc/02/74/45/1029027445.db2.gz BLHVGIFBHGYLKE-AWEZNQCLSA-N 0 3 314.429 3.815 20 30 DHEDHN CN(CCC1(C#N)CCCCC1)[C@H](CCO)c1ccccc1 ZINC000411294617 1029089362 /nfs/dbraw/zinc/08/93/62/1029089362.db2.gz NGDACSJTQQANLP-GOSISDBHSA-N 0 3 300.446 3.906 20 30 DHEDHN CCCCCCN(C)CC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000778663322 1029121344 /nfs/dbraw/zinc/12/13/44/1029121344.db2.gz LASISXWERPNOJP-CQSZACIVSA-N 0 3 321.490 3.955 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N1CCCC[C@@H]1C)c1ccccc1 ZINC000411479126 1029140525 /nfs/dbraw/zinc/14/05/25/1029140525.db2.gz YXDVIPSZMGSQJI-FUHWJXTLSA-N 0 3 300.446 3.685 20 30 DHEDHN COC(=O)c1cccc(CN(C)[C@@H](C)C2CCCCC2)c1C#N ZINC000569141678 1029184233 /nfs/dbraw/zinc/18/42/33/1029184233.db2.gz OQWKORFQPYTZFE-AWEZNQCLSA-N 0 3 314.429 3.745 20 30 DHEDHN CN(CCc1ccccc1[N+](=O)[O-])CCC1(C#N)CCCCC1 ZINC000411715451 1029188362 /nfs/dbraw/zinc/18/83/62/1029188362.db2.gz BYFDRZXWTUTUGK-UHFFFAOYSA-N 0 3 315.417 3.933 20 30 DHEDHN CC#CCN(C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000411771746 1029206101 /nfs/dbraw/zinc/20/61/01/1029206101.db2.gz OXWQXHJMSGJLLT-UHFFFAOYSA-N 0 3 306.409 3.637 20 30 DHEDHN Cc1ccc(C)c(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000190941865 1029218504 /nfs/dbraw/zinc/21/85/04/1029218504.db2.gz BQLCWJJBCWNIMQ-OAHLLOKOSA-N 0 3 301.349 3.737 20 30 DHEDHN CCOc1ccc(CN(C)CCOCc2ccc(C#N)cc2)cc1 ZINC000570314052 1029349503 /nfs/dbraw/zinc/34/95/03/1029349503.db2.gz GDMFMTUIBAQVGL-UHFFFAOYSA-N 0 3 324.424 3.606 20 30 DHEDHN CC#CCCN1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000155979431 1029352643 /nfs/dbraw/zinc/35/26/43/1029352643.db2.gz DLCPMUSLVRTYLR-UHFFFAOYSA-N 0 3 320.477 3.511 20 30 DHEDHN COc1ccc2c(c1)CCCN(Cc1ccc(C#N)c(C)c1)C2 ZINC000570500367 1029374356 /nfs/dbraw/zinc/37/43/56/1029374356.db2.gz KUBMMRSABFOXJN-UHFFFAOYSA-N 0 3 306.409 3.824 20 30 DHEDHN N=C(N[C@H]1CCc2cccc(Cl)c2C1)c1ccc(Cl)cn1 ZINC001170901780 1029388216 /nfs/dbraw/zinc/38/82/16/1029388216.db2.gz JWZFTAVAXNOQQS-LBPRGKRZSA-N 0 3 320.223 3.651 20 30 DHEDHN C[C@@H]1CN(CCCCNc2cccc(Cl)c2C#N)C[C@@H](C)O1 ZINC000450380252 1029423199 /nfs/dbraw/zinc/42/31/99/1029423199.db2.gz REROUGHBHUTJEK-ZIAGYGMSSA-N 0 3 321.852 3.513 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H](O)c2ccccc2C1 ZINC000374812197 1029464584 /nfs/dbraw/zinc/46/45/84/1029464584.db2.gz ZYGRNFXPBQNBGN-HXUWFJFHSA-N 0 3 320.436 3.927 20 30 DHEDHN CC(C)(C)C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000452083887 1030122880 /nfs/dbraw/zinc/12/28/80/1030122880.db2.gz UORISIQXIVJIQF-HNNXBMFYSA-N 0 3 324.428 3.866 20 30 DHEDHN Cc1noc(C)c1[C@@H](C)NCCSCc1ccccc1C#N ZINC000924812344 1030195651 /nfs/dbraw/zinc/19/56/51/1030195651.db2.gz UROQMYTYHRDSCH-GFCCVEGCSA-N 0 3 315.442 3.747 20 30 DHEDHN C=C(C)COCCN[C@H](CCc1ccccc1)c1ccccn1 ZINC000866306465 1030216250 /nfs/dbraw/zinc/21/62/50/1030216250.db2.gz RVANFLLVZZWGQY-HXUWFJFHSA-N 0 3 310.441 3.938 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000533301045 1030261144 /nfs/dbraw/zinc/26/11/44/1030261144.db2.gz CUVNGILSLRPWLA-KRWDZBQOSA-N 0 3 302.462 3.710 20 30 DHEDHN C[C@@H](NCc1ccc(C2(C)OCCO2)cc1)c1ccc(C#N)cc1 ZINC000866421761 1030291285 /nfs/dbraw/zinc/29/12/85/1030291285.db2.gz BMLQGNCEKGOOID-OAHLLOKOSA-N 0 3 322.408 3.629 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cnc(C)s2)cc1 ZINC000866454093 1030305137 /nfs/dbraw/zinc/30/51/37/1030305137.db2.gz FAKHHLQCDACEQL-OLZOCXBDSA-N 0 3 300.427 3.875 20 30 DHEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)C12CCCCC2 ZINC000533446177 1030365625 /nfs/dbraw/zinc/36/56/25/1030365625.db2.gz OCHZBGDJOLWBNK-QZTJIDSGSA-N 0 3 316.420 3.915 20 30 DHEDHN C[C@H](NC[C@H]1c2ccccc2CN1C)c1ccc(C#N)cc1F ZINC000866563946 1030374532 /nfs/dbraw/zinc/37/45/32/1030374532.db2.gz QHDMPPGBAFJKCS-DJJJIMSYSA-N 0 3 309.388 3.535 20 30 DHEDHN C#CCN(Cc1ccnc2c(Br)cccc12)C1CC1 ZINC000824172571 1030492524 /nfs/dbraw/zinc/49/25/24/1030492524.db2.gz QBAPCSBQVYQPAG-UHFFFAOYSA-N 0 3 315.214 3.595 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCc3c(F)cccc32)cc1C#N ZINC000824468423 1030567838 /nfs/dbraw/zinc/56/78/38/1030567838.db2.gz IMJXQDYUYGNQBG-GOSISDBHSA-N 0 3 310.372 3.873 20 30 DHEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCCC#N)c1ccccc1 ZINC000926132553 1030628937 /nfs/dbraw/zinc/62/89/37/1030628937.db2.gz MFXIRCXXSMPYMQ-ZBFHGGJFSA-N 0 3 317.433 3.534 20 30 DHEDHN C#Cc1cccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000825226268 1030751769 /nfs/dbraw/zinc/75/17/69/1030751769.db2.gz FJUJASVCPBTVCS-UHFFFAOYSA-N 0 3 304.393 3.640 20 30 DHEDHN C#Cc1cccc(CNCc2ccc(OCC)c(OCC)c2)c1 ZINC000825226385 1030752836 /nfs/dbraw/zinc/75/28/36/1030752836.db2.gz GKYDUDZWJSZHOM-UHFFFAOYSA-N 0 3 309.409 3.755 20 30 DHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCCCC#N ZINC000249475283 1030796694 /nfs/dbraw/zinc/79/66/94/1030796694.db2.gz VIFLXGGSXLEZRP-OAGGEKHMSA-N 0 3 306.450 3.655 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC000926688479 1030863019 /nfs/dbraw/zinc/86/30/19/1030863019.db2.gz DIZHVDZALYIAMY-WCQYABFASA-N 0 3 306.372 3.794 20 30 DHEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)[C@H]1OCCc2sccc21 ZINC000292282133 1030920538 /nfs/dbraw/zinc/92/05/38/1030920538.db2.gz BUJUZAQRNFTTTR-PIGZYNQJSA-N 0 3 316.401 3.551 20 30 DHEDHN CCCCCN1CCN(Cc2c(Cl)cccc2C#N)CC1 ZINC001143726086 1030932832 /nfs/dbraw/zinc/93/28/32/1030932832.db2.gz FNGDXZWYRSJBSQ-UHFFFAOYSA-N 0 3 305.853 3.519 20 30 DHEDHN CC#CCCCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805921200 1030987089 /nfs/dbraw/zinc/98/70/89/1030987089.db2.gz ZVOQGEVDGWXVCJ-UHFFFAOYSA-N 0 3 313.441 3.635 20 30 DHEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C)cc1 ZINC001275655610 1031007077 /nfs/dbraw/zinc/00/70/77/1031007077.db2.gz OYOXJAFHFNCYGU-FQEVSTJZSA-N 0 3 312.457 3.528 20 30 DHEDHN Cc1ccc(CN[C@@H](C)c2ccc(C(C)(C)O)cc2)cc1C#N ZINC000926966971 1031017770 /nfs/dbraw/zinc/01/77/70/1031017770.db2.gz OYFMIRABEOVXJR-HNNXBMFYSA-N 0 3 308.425 3.945 20 30 DHEDHN Cc1cc(CNCc2ccc(N(C)CCC#N)cc2)ccc1F ZINC000123273896 1031064270 /nfs/dbraw/zinc/06/42/70/1031064270.db2.gz NTDLKMLPMWNTNT-UHFFFAOYSA-N 0 3 311.404 3.774 20 30 DHEDHN C=CCC[C@H](NCc1cc(C2CC2)n(C)n1)[C@]1(C)CCCCO1 ZINC000927107987 1031095942 /nfs/dbraw/zinc/09/59/42/1031095942.db2.gz JYOVPTZFPGQERR-OALUTQOASA-N 0 3 317.477 3.681 20 30 DHEDHN C=CCCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000359787071 1031137464 /nfs/dbraw/zinc/13/74/64/1031137464.db2.gz CHMRIEBMLLYXJD-AEFFLSMTSA-N 0 3 312.457 3.512 20 30 DHEDHN C=CCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CCC1 ZINC000359849354 1031164130 /nfs/dbraw/zinc/16/41/30/1031164130.db2.gz YZSVLCMIHMLLFV-SJLPKXTDSA-N 0 3 312.457 3.512 20 30 DHEDHN Cc1c(O)cccc1CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001144120415 1031257947 /nfs/dbraw/zinc/25/79/47/1031257947.db2.gz LFBQRLHYLXNFCU-IBGZPJMESA-N 0 3 322.408 3.616 20 30 DHEDHN N#Cc1ccccc1CNC1(Cc2cccc(F)c2)CCOCC1 ZINC000293045590 1031304802 /nfs/dbraw/zinc/30/48/02/1031304802.db2.gz RDHOGLZCHGQNFJ-UHFFFAOYSA-N 0 3 324.399 3.579 20 30 DHEDHN CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000360336242 1031384152 /nfs/dbraw/zinc/38/41/52/1031384152.db2.gz JPUFJMKQKSTUBI-ZBFHGGJFSA-N 0 3 310.401 3.667 20 30 DHEDHN CCN(Cc1ccc(C#N)s1)[C@@H](COC)Cc1ccccc1 ZINC000536709173 1031413803 /nfs/dbraw/zinc/41/38/03/1031413803.db2.gz JPZQFTYQZDZMBQ-MRXNPFEDSA-N 0 3 314.454 3.699 20 30 DHEDHN C[C@@H](NCC1CCC(C#N)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872067704 1031462466 /nfs/dbraw/zinc/46/24/66/1031462466.db2.gz BNIXDZFFSRTQHY-PNESKVBLSA-N 0 3 305.353 3.714 20 30 DHEDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000872082131 1031479065 /nfs/dbraw/zinc/47/90/65/1031479065.db2.gz PVZUAQRDARJQMU-SDDRHHMPSA-N 0 3 305.403 3.660 20 30 DHEDHN C=CCN(CCCc1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000929364593 1031503850 /nfs/dbraw/zinc/50/38/50/1031503850.db2.gz DHBKEDHMRCYAJK-UHFFFAOYSA-N 0 3 311.385 3.611 20 30 DHEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000872131753 1031524893 /nfs/dbraw/zinc/52/48/93/1031524893.db2.gz ANLZUOXAYRNFPL-AGRHKRQWSA-N 0 3 312.388 3.860 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CNCc1cc(Cl)cc(Cl)c1F ZINC000872234879 1031558870 /nfs/dbraw/zinc/55/88/70/1031558870.db2.gz IZJUKZAHTPZCOI-NSHDSACASA-N 0 3 319.207 3.523 20 30 DHEDHN C[C@@H]1C[C@H](CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C[C@H](C)O1 ZINC000929758581 1031600086 /nfs/dbraw/zinc/60/00/86/1031600086.db2.gz ZKCVRQZCTGYVLQ-WUOIFLIFSA-N 0 3 312.457 3.962 20 30 DHEDHN C#Cc1ccc(CN2CCC3(CC(=O)c4ccccc43)CC2)cc1 ZINC001144581077 1031718644 /nfs/dbraw/zinc/71/86/44/1031718644.db2.gz NGMGGGLPFLRBJB-UHFFFAOYSA-N 0 3 315.416 3.788 20 30 DHEDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(CC#N)cc1 ZINC000873134387 1031722218 /nfs/dbraw/zinc/72/22/18/1031722218.db2.gz QZKKWKAIVLQRAK-UHFFFAOYSA-N 0 3 309.369 3.568 20 30 DHEDHN C#Cc1ccc(CN2CCN([C@@H](C)c3ccccc3)CC2)cc1 ZINC001144576541 1031723846 /nfs/dbraw/zinc/72/38/46/1031723846.db2.gz MPBXOEUQZGGZNZ-SFHVURJKSA-N 0 3 304.437 3.547 20 30 DHEDHN C[C@@H](NC[C@H](O)CC#N)c1ccccc1-c1ccc(Cl)cc1 ZINC000930223470 1031742196 /nfs/dbraw/zinc/74/21/96/1031742196.db2.gz XSFMMJGFEXYXDL-CZUORRHYSA-N 0 3 314.816 3.932 20 30 DHEDHN C=CCC(CC=C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873029 1031749478 /nfs/dbraw/zinc/74/94/78/1031749478.db2.gz BEUWJVHOMXXUGU-BLLLJJGKSA-N 0 3 321.348 3.844 20 30 DHEDHN CCn1ccnc1[C@H]1CCCCN1CC1CCC(C#N)CC1 ZINC000930308529 1031777119 /nfs/dbraw/zinc/77/71/19/1031777119.db2.gz QRUHKQNPIMKKGV-OFLPRAFFSA-N 0 3 300.450 3.760 20 30 DHEDHN C=C(C)CN(CCCc1cccnc1)Cc1cnn(C(C)C)c1 ZINC000930461246 1031829870 /nfs/dbraw/zinc/82/98/70/1031829870.db2.gz OXLLVNYAGXUTMP-UHFFFAOYSA-N 0 3 312.461 3.870 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@]3(CC3(F)F)C2)cc1OC ZINC000846108336 1031859942 /nfs/dbraw/zinc/85/99/42/1031859942.db2.gz PFNKSXQDUCXKLM-KRWDZBQOSA-N 0 3 323.383 3.881 20 30 DHEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC(C)(C)C1 ZINC000361470901 1031938873 /nfs/dbraw/zinc/93/88/73/1031938873.db2.gz PSCHKPBSMLFNCO-OAHLLOKOSA-N 0 3 310.401 3.619 20 30 DHEDHN CCCC[C@@H]1C[C@H](N[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C ZINC001172636664 1033299716 /nfs/dbraw/zinc/29/97/16/1033299716.db2.gz PBMFVKODUGLMLL-ARFHVFGLSA-N 0 3 323.481 3.836 20 30 DHEDHN C[C@H](CCC#N)CN[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000877471458 1033311720 /nfs/dbraw/zinc/31/17/20/1033311720.db2.gz XIQZTSLLPAROKL-NEPJUHHUSA-N 0 3 318.808 3.980 20 30 DHEDHN Cc1cc(C)cc(CCN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000877498929 1033325967 /nfs/dbraw/zinc/32/59/67/1033325967.db2.gz XOQCMHXEPVZQSJ-UHFFFAOYSA-N 0 3 319.452 3.798 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)c2ccco2)cc1 ZINC000860470679 1033391964 /nfs/dbraw/zinc/39/19/64/1033391964.db2.gz TWMLXOKOUYHUDU-CJNGLKHVSA-N 0 3 324.380 3.683 20 30 DHEDHN CC(C)(CCC#N)CNCc1nnc(-c2ccccc2)s1 ZINC000151234206 1033430608 /nfs/dbraw/zinc/43/06/08/1033430608.db2.gz XYEMGROCLLDKKI-UHFFFAOYSA-N 0 3 300.431 3.625 20 30 DHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C(C)C)N(C)C ZINC000552633766 1033466393 /nfs/dbraw/zinc/46/63/93/1033466393.db2.gz IKTKAKUWMDIQEX-AWEZNQCLSA-N 0 3 314.882 3.502 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@](C)(C(F)(F)F)C2)cc1 ZINC000877812157 1033462235 /nfs/dbraw/zinc/46/22/35/1033462235.db2.gz IGZUYCPZCXUXKU-WFASDCNBSA-N 0 3 312.335 3.752 20 30 DHEDHN C=CCC1(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CCC1 ZINC000478738833 1033565315 /nfs/dbraw/zinc/56/53/15/1033565315.db2.gz JDGHJHRDMAFPDX-GOSISDBHSA-N 0 3 314.473 3.714 20 30 DHEDHN CC[C@@]1(C)CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878147638 1033597231 /nfs/dbraw/zinc/59/72/31/1033597231.db2.gz HNBRAABEXOUIGW-VQTJNVASSA-N 0 3 312.457 3.939 20 30 DHEDHN CC[C@]1(C)CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878147637 1033597709 /nfs/dbraw/zinc/59/77/09/1033597709.db2.gz HNBRAABEXOUIGW-UXHICEINSA-N 0 3 312.457 3.939 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000878334032 1033661657 /nfs/dbraw/zinc/66/16/57/1033661657.db2.gz MEJPRWCFCLKSNE-AABGKKOBSA-N 0 3 308.425 3.605 20 30 DHEDHN N#CCC1CCC(N2CCC[C@H]2C(=O)Nc2ccccc2)CC1 ZINC001173340887 1033697678 /nfs/dbraw/zinc/69/76/78/1033697678.db2.gz MYGBZUXDFVYHHJ-VJFUWPCTSA-N 0 3 311.429 3.562 20 30 DHEDHN N#Cc1cnc(CNC2CCC3(CCc4ccccc43)CC2)s1 ZINC001173685249 1033826096 /nfs/dbraw/zinc/82/60/96/1033826096.db2.gz OJRODNJPJSUTOB-UHFFFAOYSA-N 0 3 323.465 3.931 20 30 DHEDHN C=CCC1(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CCC1 ZINC000479628799 1033837251 /nfs/dbraw/zinc/83/72/51/1033837251.db2.gz YMYHVEXWADPBJR-WMZOPIPTSA-N 0 3 312.457 3.685 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000862446819 1033859549 /nfs/dbraw/zinc/85/95/49/1033859549.db2.gz FUQIIVDCSFUZPZ-OAHLLOKOSA-N 0 3 310.372 3.858 20 30 DHEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H]4CCCC[C@@H]43)o2)cc1 ZINC000173480256 1033941600 /nfs/dbraw/zinc/94/16/00/1033941600.db2.gz YSDHMOOFQIOGON-WBVHZDCISA-N 0 3 322.412 3.763 20 30 DHEDHN CN(C)Cc1ccccc1Nc1cc(F)c(F)c(C#N)c1F ZINC001173932542 1033994686 /nfs/dbraw/zinc/99/46/86/1033994686.db2.gz WPRZNWVIHOXGLN-UHFFFAOYSA-N 0 3 305.303 3.781 20 30 DHEDHN CN(CCc1cccc(C#N)c1)Cc1cccnc1C(F)(F)F ZINC000879432658 1034015670 /nfs/dbraw/zinc/01/56/70/1034015670.db2.gz NIAJGBNJIWVESV-UHFFFAOYSA-N 0 3 319.330 3.647 20 30 DHEDHN CCCOCc1ccccc1CNCc1ccc(C#N)s1 ZINC000176950663 1034123813 /nfs/dbraw/zinc/12/38/13/1034123813.db2.gz GQJABGBBGDNEBU-UHFFFAOYSA-N 0 3 300.427 3.836 20 30 DHEDHN CC(C)[C@@H](NCc1cc(C#N)ccc1F)[C@H](O)c1ccccc1 ZINC000794606786 1034307628 /nfs/dbraw/zinc/30/76/28/1034307628.db2.gz RPFXYLFCYVDLJN-RTBURBONSA-N 0 3 312.388 3.545 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(F)c2cccnc12 ZINC000042123130 1034343083 /nfs/dbraw/zinc/34/30/83/1034343083.db2.gz UAZWRMMCYNQLOF-UHFFFAOYSA-N 0 3 305.356 3.878 20 30 DHEDHN C=CC[C@H]1CCN(Cc2ccc(OC)cc2Br)C1 ZINC001174891573 1034665371 /nfs/dbraw/zinc/66/53/71/1034665371.db2.gz TYUQHYWYQAPPSI-LBPRGKRZSA-N 0 3 310.235 3.856 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001174992813 1034720969 /nfs/dbraw/zinc/72/09/69/1034720969.db2.gz BANPKFWHNOCXIW-CZAAIQMYSA-N 0 3 317.436 3.578 20 30 DHEDHN C=CC[C@H](C)Sc1nnc(CCN2CCCCC2)n1CC=C ZINC000882082317 1034739872 /nfs/dbraw/zinc/73/98/72/1034739872.db2.gz MAGIZOCOYVXPPN-HNNXBMFYSA-N 0 3 320.506 3.549 20 30 DHEDHN N#CC1(COC(=O)c2cccc(CN3CCCCC3)c2)CCC1 ZINC000842339600 1034925280 /nfs/dbraw/zinc/92/52/80/1034925280.db2.gz VGOPGPFKNAYVHX-UHFFFAOYSA-N 0 3 312.413 3.523 20 30 DHEDHN N#CCc1ccccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175507476 1035018492 /nfs/dbraw/zinc/01/84/92/1035018492.db2.gz WNZWCPZPXMKLTH-UHFFFAOYSA-N 0 3 303.409 3.954 20 30 DHEDHN CC(C)(C)CN(CCC#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159771567 1035089048 /nfs/dbraw/zinc/08/90/48/1035089048.db2.gz CUYMHQODWKPXPE-UHFFFAOYSA-N 0 3 321.509 3.533 20 30 DHEDHN COCc1cccc(CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC000158476581 1035095200 /nfs/dbraw/zinc/09/52/00/1035095200.db2.gz WWRITEBYDKGHPI-UHFFFAOYSA-N 0 3 306.409 3.547 20 30 DHEDHN CCN1CCN(c2ccc(Nc3c(F)cccc3C#N)cc2)CC1 ZINC001175781754 1035119795 /nfs/dbraw/zinc/11/97/95/1035119795.db2.gz ZOIUPVQWVCPGNC-UHFFFAOYSA-N 0 3 324.403 3.583 20 30 DHEDHN CCN1CCN(c2ccc(Nc3cc(C)ccc3C#N)cc2)CC1 ZINC001175781706 1035119876 /nfs/dbraw/zinc/11/98/76/1035119876.db2.gz KRDOXTZEUVMSDL-UHFFFAOYSA-N 0 3 320.440 3.752 20 30 DHEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)sc1C ZINC000160145478 1035139922 /nfs/dbraw/zinc/13/99/22/1035139922.db2.gz JFJYBCBDXLGYEZ-JTQLQIEISA-N 0 3 323.780 3.798 20 30 DHEDHN C[C@@]1(c2ccc(F)cc2)CCN(Cc2cc(C#N)cs2)C1 ZINC000482590569 1035142006 /nfs/dbraw/zinc/14/20/06/1035142006.db2.gz IAGJHAXIKQTHQK-QGZVFWFLSA-N 0 3 300.402 3.922 20 30 DHEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C(C)(C)C)C1 ZINC000483255657 1035247447 /nfs/dbraw/zinc/24/74/47/1035247447.db2.gz BLRXRBWFXHLUPL-GOEBONIOSA-N 0 3 313.445 3.643 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)cc1F ZINC000483966307 1035312469 /nfs/dbraw/zinc/31/24/69/1035312469.db2.gz SZQHEMARWQRITG-INIZCTEOSA-N 0 3 312.363 3.901 20 30 DHEDHN C(#Cc1ccccc1)CN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000484062675 1035318396 /nfs/dbraw/zinc/31/83/96/1035318396.db2.gz DEFDNIIUSRXJRO-IBGZPJMESA-N 0 3 315.420 3.552 20 30 DHEDHN N#CCc1ccc(CN2CCO[C@@H](c3ccccc3)CC2)cc1 ZINC001176939575 1035338319 /nfs/dbraw/zinc/33/83/19/1035338319.db2.gz LFWBWYUVQSKKPL-HXUWFJFHSA-N 0 3 306.409 3.716 20 30 DHEDHN C#CCOc1ccccc1CNC/C=C\c1ccc(F)c(F)c1 ZINC001177880033 1035399582 /nfs/dbraw/zinc/39/95/82/1035399582.db2.gz BMYWQZYQRFQPAZ-WAYWQWQTSA-N 0 3 313.347 3.780 20 30 DHEDHN C=CCC(C)(C)c1noc(C[C@H](N)c2ccccc2OCC)n1 ZINC000904724826 1035444844 /nfs/dbraw/zinc/44/48/44/1035444844.db2.gz QZBNCCSTNDQJRC-AWEZNQCLSA-N 0 3 315.417 3.565 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1C[C@H]1C1CCC1 ZINC001179002053 1035460363 /nfs/dbraw/zinc/46/03/63/1035460363.db2.gz IOYOOPXHPXHHDC-GJZGRUSLSA-N 0 3 303.833 3.878 20 30 DHEDHN CC(C)Oc1cc(Cl)ccc1CNC[C@H](O)CC(C)(C)C#N ZINC000905426993 1035528556 /nfs/dbraw/zinc/52/85/56/1035528556.db2.gz WHNZUOSAMRIKEN-OAHLLOKOSA-N 0 3 324.852 3.518 20 30 DHEDHN C#CCN(Cc1ccc2nccnc2c1)[C@H]1CCc2ccccc21 ZINC001180296825 1035645775 /nfs/dbraw/zinc/64/57/75/1035645775.db2.gz MFVGVMSUKGCKGY-NRFANRHFSA-N 0 3 313.404 3.753 20 30 DHEDHN CC(C)c1cccc2c1CCN(C[C@@H](O)c1cccc(C#N)c1)C2 ZINC001194042235 1035812957 /nfs/dbraw/zinc/81/29/57/1035812957.db2.gz PECNQPZONYIPOX-OAQYLSRUSA-N 0 3 320.436 3.773 20 30 DHEDHN C=CCNC(=O)CN[C@H](C)c1ccc(C2CCCCC2)cc1 ZINC000539682338 1035823229 /nfs/dbraw/zinc/82/32/29/1035823229.db2.gz MGFCHEJPAKTKAX-OAHLLOKOSA-N 0 3 300.446 3.687 20 30 DHEDHN N#Cc1ccc(C2CCN([C@@H]3C[C@H]3c3cccc(F)c3)CC2)nc1 ZINC000906588914 1036013126 /nfs/dbraw/zinc/01/31/26/1036013126.db2.gz IOXJFVXJAVDKRC-AZUAARDMSA-N 0 3 321.399 3.828 20 30 DHEDHN C[C@H]1CN(CCCOc2cccc(C#N)c2)Cc2ccccc2O1 ZINC001194764886 1036030296 /nfs/dbraw/zinc/03/02/96/1036030296.db2.gz PONLRQUSIZWZAN-INIZCTEOSA-N 0 3 322.408 3.610 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000540405480 1036058407 /nfs/dbraw/zinc/05/84/07/1036058407.db2.gz DQKJQXQJQQCFRU-SJORKVTESA-N 0 3 300.446 3.543 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2[C@H](C)[C@H](OC)C2(C)C)c([O-])c1 ZINC000775628807 1036097939 /nfs/dbraw/zinc/09/79/39/1036097939.db2.gz AFKONVKGMZORCD-YUQGJXHPSA-N 0 3 318.461 3.717 20 30 DHEDHN COc1ccc(CN[C@@H](C)c2cc3ccccc3[nH]2)cc1C#N ZINC000775628092 1036099804 /nfs/dbraw/zinc/09/98/04/1036099804.db2.gz LETMKSMNSQRXAC-ZDUSSCGKSA-N 0 3 305.381 3.899 20 30 DHEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CCC(C)(C)C ZINC001195499314 1036271334 /nfs/dbraw/zinc/27/13/34/1036271334.db2.gz UKXQNQVJWXVGHG-KOHRHEQBSA-N 0 3 321.509 3.674 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000495151056 1036291853 /nfs/dbraw/zinc/29/18/53/1036291853.db2.gz ZEXXFKZVJGFCCR-UHFFFAOYSA-N 0 3 300.358 3.727 20 30 DHEDHN C[C@H](NCC#Cc1ccccc1Cl)[C@@H]1COc2ccccc21 ZINC000541698551 1036404982 /nfs/dbraw/zinc/40/49/82/1036404982.db2.gz YUBUUHURKXOMSF-YOEHRIQHSA-N 0 3 311.812 3.846 20 30 DHEDHN C#CCOCCN[C@@H](COc1c(C)cccc1C)c1ccccc1 ZINC001168485507 1036478571 /nfs/dbraw/zinc/47/85/71/1036478571.db2.gz GGCCLSBPXRTLPP-FQEVSTJZSA-N 0 3 323.436 3.663 20 30 DHEDHN N#Cc1cccc(OCCN(Cc2ccccc2F)CC2CC2)c1 ZINC001196239290 1036489568 /nfs/dbraw/zinc/48/95/68/1036489568.db2.gz ZPCMHMQBFZZAAQ-UHFFFAOYSA-N 0 3 324.399 3.988 20 30 DHEDHN COc1cc(Br)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000193310936 1036499430 /nfs/dbraw/zinc/49/94/30/1036499430.db2.gz FTWXQPLFRMXAET-FZMZJTMJSA-N 0 3 323.234 3.630 20 30 DHEDHN N#Cc1cccc(C2(NC[C@H](O)c3ccccc3Cl)CC2)c1 ZINC000271854069 1036591490 /nfs/dbraw/zinc/59/14/90/1036591490.db2.gz YASKBOFXCLKBFD-KRWDZBQOSA-N 0 3 312.800 3.524 20 30 DHEDHN COc1cccc2c1CC[C@H]2NCc1ccc(O[C@H](C)C#N)cc1 ZINC000151908715 1036709178 /nfs/dbraw/zinc/70/91/78/1036709178.db2.gz UNNKWLJJSIFPJF-AUUYWEPGSA-N 0 3 322.408 3.763 20 30 DHEDHN C#CCCN[C@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C ZINC001197247095 1036716217 /nfs/dbraw/zinc/71/62/17/1036716217.db2.gz ZDHAHSURGXFXMI-INIZCTEOSA-N 0 3 314.429 3.874 20 30 DHEDHN Cc1cc(CN(C)C)cc(NC(=O)/C=C\c2cccc(C#N)c2)c1 ZINC000492251673 1036803133 /nfs/dbraw/zinc/80/31/33/1036803133.db2.gz XSMFORGRSININU-FPLPWBNLSA-N 0 3 319.408 3.580 20 30 DHEDHN N#Cc1ccc(Br)c(CN2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000492627720 1036948335 /nfs/dbraw/zinc/94/83/35/1036948335.db2.gz DRICNGAKEPKRKY-ZIAGYGMSSA-N 0 3 319.246 3.943 20 30 DHEDHN CC(C)P(CCNC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC001184782031 1036952039 /nfs/dbraw/zinc/95/20/39/1036952039.db2.gz HVRJGTZLWOHULJ-UHFFFAOYSA-N 0 3 305.362 3.978 20 30 DHEDHN C=CCC[C@@H]1CCCN1Cc1nc(-c2ccccc2F)no1 ZINC001198406096 1037015970 /nfs/dbraw/zinc/01/59/70/1037015970.db2.gz GGSLIBAXNNSLBR-CYBMUJFWSA-N 0 3 301.365 3.806 20 30 DHEDHN CCCCN1CCCC[C@@H]1CNc1cc(C#N)sc1[N+](=O)[O-] ZINC001185097752 1037026066 /nfs/dbraw/zinc/02/60/66/1037026066.db2.gz COTKPEOZWNDONX-GFCCVEGCSA-N 0 3 322.434 3.594 20 30 DHEDHN Clc1ccccc1C#CCN1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001198563136 1037059822 /nfs/dbraw/zinc/05/98/22/1037059822.db2.gz IIFQLHCYXDNVKL-ROUUACIJSA-N 0 3 317.860 3.830 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCC)CCCC)CC1 ZINC000175739914 1037074325 /nfs/dbraw/zinc/07/43/25/1037074325.db2.gz FWAQLHFINIHXED-INIZCTEOSA-N 0 3 309.498 3.685 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1Cl)[C@H]1CCC[C@@H]1C ZINC000487983973 1037087078 /nfs/dbraw/zinc/08/70/78/1037087078.db2.gz XWOPQPLRXOABJZ-GUYCJALGSA-N 0 3 306.837 3.849 20 30 DHEDHN C[C@H]1C[C@@H](CN(C)CC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000496136078 1037424282 /nfs/dbraw/zinc/42/42/82/1037424282.db2.gz YEAZTGODWAYOCF-GJZGRUSLSA-N 0 3 323.481 3.504 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000775135547 1037685881 /nfs/dbraw/zinc/68/58/81/1037685881.db2.gz GVMLGXSHYDLTSK-GXTWGEPZSA-N 0 3 312.335 3.752 20 30 DHEDHN CCOC(=O)C1(C#N)CCN(C[C@H](C)CCC=C(C)C)CC1 ZINC001201495533 1037715998 /nfs/dbraw/zinc/71/59/98/1037715998.db2.gz DNSAMWJDXSNVNJ-MRXNPFEDSA-N 0 3 306.450 3.538 20 30 DHEDHN N#Cc1ccc(CNC[C@@H](O)c2cc3ccccc3s2)s1 ZINC000151368615 1037865424 /nfs/dbraw/zinc/86/54/24/1037865424.db2.gz FOFFCGZRMZYTMT-CQSZACIVSA-N 0 3 314.435 3.658 20 30 DHEDHN Cc1ccc(F)cc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000491093211 1037913664 /nfs/dbraw/zinc/91/36/64/1037913664.db2.gz VGRJOEXTAIOTHB-UHFFFAOYSA-N 0 3 323.415 3.718 20 30 DHEDHN C#C[C@@H](C)N(C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000775182586 1037931459 /nfs/dbraw/zinc/93/14/59/1037931459.db2.gz DPYZOFRXEXHOOA-QGZVFWFLSA-N 0 3 308.425 3.731 20 30 DHEDHN Cn1nccc1C1=CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000586774298 1037949815 /nfs/dbraw/zinc/94/98/15/1037949815.db2.gz PWEKQHUZMLCMBA-UHFFFAOYSA-N 0 3 320.440 3.511 20 30 DHEDHN CCc1ccc([C@@H]2CCCN(Cc3ccnc(C#N)c3)C2)cc1 ZINC000586784716 1037968107 /nfs/dbraw/zinc/96/81/07/1037968107.db2.gz VXFFJWFNIRADOW-LJQANCHMSA-N 0 3 305.425 3.895 20 30 DHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000586790316 1037970643 /nfs/dbraw/zinc/97/06/43/1037970643.db2.gz PZDBZYUFPOMXGJ-RYUDHWBXSA-N 0 3 307.353 3.817 20 30 DHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000054809921 1037977225 /nfs/dbraw/zinc/97/72/25/1037977225.db2.gz NVHUCMDSROHDMF-QGZVFWFLSA-N 0 3 308.381 3.570 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccccc2Cl)nc(C)n1 ZINC000916879673 1038017742 /nfs/dbraw/zinc/01/77/42/1038017742.db2.gz FQEOFLLLXBWILD-WBTMPAOCSA-N 0 3 311.772 3.637 20 30 DHEDHN CCCCSCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916885030 1038025400 /nfs/dbraw/zinc/02/54/00/1038025400.db2.gz KRTCAGIUIFDXLQ-ZDUSSCGKSA-N 0 3 324.833 3.521 20 30 DHEDHN Cc1ncc2c(n1)CCC[C@H]2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000775396386 1038341114 /nfs/dbraw/zinc/34/11/14/1038341114.db2.gz WLWZTYQGPLOLCN-AZUAARDMSA-N 0 3 318.424 3.701 20 30 DHEDHN C[C@@H]1CCC[C@H](CN2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001190742754 1038376502 /nfs/dbraw/zinc/37/65/02/1038376502.db2.gz LBIMSYQMIVYXOE-WBVHZDCISA-N 0 3 315.436 3.646 20 30 DHEDHN N#Cc1cccc(CN[C@H](c2ccccc2)C2CCOCC2)c1F ZINC000775437941 1038440302 /nfs/dbraw/zinc/44/03/02/1038440302.db2.gz PGZCCUVZYRHSHQ-HXUWFJFHSA-N 0 3 324.399 3.955 20 30 DHEDHN Cc1cc(C#N)ccc1CN[C@@H](c1cccs1)C(C)(C)CO ZINC000589268726 1038455936 /nfs/dbraw/zinc/45/59/36/1038455936.db2.gz RAOJOODDJGPEAM-KRWDZBQOSA-N 0 3 314.454 3.778 20 30 DHEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)C12CCCCC2 ZINC001191320703 1038488945 /nfs/dbraw/zinc/48/89/45/1038488945.db2.gz VUAIYONYSRAJAR-QZTJIDSGSA-N 0 3 313.445 3.513 20 30 DHEDHN N#Cc1cccc(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000590202307 1038604219 /nfs/dbraw/zinc/60/42/19/1038604219.db2.gz DQZKKSXIACZNGZ-GOSISDBHSA-N 0 3 312.800 3.865 20 30 DHEDHN CC(C)c1ccccc1NC(=O)N1CCC2SC(=O)C=C2C1 ZINC001192234586 1038615339 /nfs/dbraw/zinc/61/53/39/1038615339.db2.gz GVTAJAAUFDMVPY-OAHLLOKOSA-N 0 3 316.426 3.616 20 30 DHEDHN CO[C@@H](CN[C@H](CCC#N)c1ccccc1)Cc1ccccc1 ZINC000590713008 1038694843 /nfs/dbraw/zinc/69/48/43/1038694843.db2.gz VFENHXVAGKJITO-WOJBJXKFSA-N 0 3 308.425 3.879 20 30 DHEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccc(C2CC2)c1 ZINC000590745427 1038697140 /nfs/dbraw/zinc/69/71/40/1038697140.db2.gz NWJCYQMHPPZPTC-CQSZACIVSA-N 0 3 319.408 3.725 20 30 DHEDHN N#CCC[C@@H](NC[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000775554021 1038714311 /nfs/dbraw/zinc/71/43/11/1038714311.db2.gz VCFWGMKDSGJXFZ-QZTJIDSGSA-N 0 3 316.351 3.633 20 30 DHEDHN Cc1nn(C)cc1[C@@H]1CCCN1CCC1(C#N)CCCCC1 ZINC000591016070 1038744733 /nfs/dbraw/zinc/74/47/33/1038744733.db2.gz QWLIMMKOABFRNQ-KRWDZBQOSA-N 0 3 300.450 3.730 20 30 DHEDHN N#CCC[C@@H](C#N)CNCC[C@@H](c1ccccc1)C(F)(F)F ZINC000591374647 1038840443 /nfs/dbraw/zinc/84/04/43/1038840443.db2.gz QLMVCQZEWQEVPI-ZFWWWQNUSA-N 0 3 309.335 3.756 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000599094074 1039042038 /nfs/dbraw/zinc/04/20/38/1039042038.db2.gz ZDJVITCHWRAZPE-ONERCXAPSA-N 0 3 313.228 3.699 20 30 DHEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000599312760 1039112620 /nfs/dbraw/zinc/11/26/20/1039112620.db2.gz WOKSTIJZLQPNBE-CMPLNLGQSA-N 0 3 313.228 3.699 20 30 DHEDHN CC(C)[C@H](Cc1ccc(F)cc1)N(C)Cc1ccncc1C#N ZINC000592070087 1039117390 /nfs/dbraw/zinc/11/73/90/1039117390.db2.gz FLAHVRGBXLNETP-IBGZPJMESA-N 0 3 311.404 3.791 20 30 DHEDHN N#Cc1cnccc1CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000592124879 1039123565 /nfs/dbraw/zinc/12/35/65/1039123565.db2.gz LPTBVSWGZDBCIU-IBGZPJMESA-N 0 3 303.409 3.723 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(C)c(C#N)c2)cc1OC ZINC000599349439 1039127711 /nfs/dbraw/zinc/12/77/11/1039127711.db2.gz OGZNSUCCKSVPOJ-CQSZACIVSA-N 0 3 310.397 3.735 20 30 DHEDHN C[C@@]1(Cc2ccccc2F)CCCN1Cc1ccnc(C#N)c1 ZINC000592143776 1039138926 /nfs/dbraw/zinc/13/89/26/1039138926.db2.gz NAOPZGSOAKHBEM-IBGZPJMESA-N 0 3 309.388 3.690 20 30 DHEDHN N#CCCC[C@@H](NCc1cc(CO)ccc1F)c1ccccc1 ZINC000599426716 1039151007 /nfs/dbraw/zinc/15/10/07/1039151007.db2.gz NTNIJPPKVQHFJO-LJQANCHMSA-N 0 3 312.388 3.843 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCC(CC)CC2)CC1 ZINC000592351592 1039171830 /nfs/dbraw/zinc/17/18/30/1039171830.db2.gz DHKGZQNAGIHVIE-UHFFFAOYSA-N 0 3 321.509 3.637 20 30 DHEDHN COc1cc(CN(Cc2ccc(C)nc2)CC2CC2)ccc1C#N ZINC000592525137 1039225110 /nfs/dbraw/zinc/22/51/10/1039225110.db2.gz IFPXBQRAYJNNAQ-UHFFFAOYSA-N 0 3 321.424 3.683 20 30 DHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](CC)c1ccccc1 ZINC000171480818 1039495017 /nfs/dbraw/zinc/49/50/17/1039495017.db2.gz GXTJGHMWBHRQPO-WBVHZDCISA-N 0 3 314.429 3.586 20 30 DHEDHN CCN(Cc1ccc2ccccc2c1)C(=O)[C@H](N)CCCCC#N ZINC000594428263 1039784329 /nfs/dbraw/zinc/78/43/29/1039784329.db2.gz LAKZSMCJOJOXLR-LJQANCHMSA-N 0 3 323.440 3.600 20 30 DHEDHN CCCN(C(=O)[C@H](N)CCCCC#N)[C@H](CC)c1ccccc1 ZINC000594426381 1039790048 /nfs/dbraw/zinc/79/00/48/1039790048.db2.gz CNNXKANRDVVYQA-QZTJIDSGSA-N 0 3 315.461 3.788 20 30 DHEDHN CCCN(C(=O)[C@@H](N)CCCCC#N)[C@H](CC)c1ccccc1 ZINC000594426384 1039790502 /nfs/dbraw/zinc/79/05/02/1039790502.db2.gz CNNXKANRDVVYQA-ZWKOTPCHSA-N 0 3 315.461 3.788 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1-c1cccs1 ZINC000594426899 1039791289 /nfs/dbraw/zinc/79/12/89/1039791289.db2.gz RSJVEOHBRWKVJA-AWEZNQCLSA-N 0 3 313.426 3.765 20 30 DHEDHN COc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000594493785 1039798270 /nfs/dbraw/zinc/79/82/70/1039798270.db2.gz RXHTVNCFXCRRMA-UHFFFAOYSA-N 0 3 324.424 3.795 20 30 DHEDHN N#CC1(c2ccc(CN[C@H]3CCc4c3cccc4O)cc2)CC1 ZINC000594923584 1039928385 /nfs/dbraw/zinc/92/83/85/1039928385.db2.gz ZPWKVBCJPDCHQQ-SFHVURJKSA-N 0 3 304.393 3.724 20 30 DHEDHN N#CC1(c2ccc(CN[C@@H]3CCc4c3cccc4O)cc2)CC1 ZINC000594923578 1039929680 /nfs/dbraw/zinc/92/96/80/1039929680.db2.gz ZPWKVBCJPDCHQQ-GOSISDBHSA-N 0 3 304.393 3.724 20 30 DHEDHN COCCOc1cccc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000594969995 1039949435 /nfs/dbraw/zinc/94/94/35/1039949435.db2.gz XRSQRVQKBYRZNN-UHFFFAOYSA-N 0 3 324.424 3.608 20 30 DHEDHN N#CCCCOc1cccc(CN[C@@H]2CCc3ccc(O)cc32)c1 ZINC000594979238 1039952152 /nfs/dbraw/zinc/95/21/52/1039952152.db2.gz GLWRUUGOKRATFZ-HXUWFJFHSA-N 0 3 322.408 3.852 20 30 DHEDHN Cn1cc([C@H](NCc2ccc(C3(C#N)CC3)cc2)C(C)(C)C)cn1 ZINC000594942820 1039955967 /nfs/dbraw/zinc/95/59/67/1039955967.db2.gz ZSDLMKXXWRXIBX-SFHVURJKSA-N 0 3 322.456 3.852 20 30 DHEDHN C=CCCSCCNCc1c(C(C)C)nc2sc(C)nn12 ZINC000594959735 1039966509 /nfs/dbraw/zinc/96/65/09/1039966509.db2.gz BFIZXMHKQMYQAF-UHFFFAOYSA-N 0 3 324.519 3.622 20 30 DHEDHN Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)cs1 ZINC000594981087 1039991231 /nfs/dbraw/zinc/99/12/31/1039991231.db2.gz UHJAEDSKGQPVBH-UHFFFAOYSA-N 0 3 312.438 3.724 20 30 DHEDHN C=CCCSCCN[C@H](C)c1ccc(Br)cn1 ZINC000595061246 1040025005 /nfs/dbraw/zinc/02/50/05/1040025005.db2.gz ZGSXGKZIZYLJNP-LLVKDONJSA-N 0 3 315.280 3.804 20 30 DHEDHN CC(C)(C)CN(CCC#N)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172800724 1040060988 /nfs/dbraw/zinc/06/09/88/1040060988.db2.gz UNZGMZKEVACVDR-OAHLLOKOSA-N 0 3 323.481 3.505 20 30 DHEDHN CC(C)[C@H](O)[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000595097389 1040081621 /nfs/dbraw/zinc/08/16/21/1040081621.db2.gz VFBPEIMWCPTJRG-BEVDRBHNSA-N 0 3 308.425 3.967 20 30 DHEDHN CC(C)(C)CN(CCC#N)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595329543 1040100051 /nfs/dbraw/zinc/10/00/51/1040100051.db2.gz UKCQQHDOGBRQCX-INIZCTEOSA-N 0 3 321.509 3.533 20 30 DHEDHN CN(C)Cc1ccccc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000575039365 1040117791 /nfs/dbraw/zinc/11/77/91/1040117791.db2.gz BRTUABRYORVMPH-KRWDZBQOSA-N 0 3 321.424 3.774 20 30 DHEDHN C=CCN(CCC(=O)Nc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300286 1040179594 /nfs/dbraw/zinc/17/95/94/1040179594.db2.gz MFKJCNZZZACPBE-UHFFFAOYSA-N 0 3 319.408 3.575 20 30 DHEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593091235 1040196320 /nfs/dbraw/zinc/19/63/20/1040196320.db2.gz LMRASJGQFOOBOK-CQSZACIVSA-N 0 3 321.380 3.628 20 30 DHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000595602281 1040201911 /nfs/dbraw/zinc/20/19/11/1040201911.db2.gz HZRUGVYBUJBSNU-DOTOQJQBSA-N 0 3 322.412 3.833 20 30 DHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000595602311 1040202436 /nfs/dbraw/zinc/20/24/36/1040202436.db2.gz HZRUGVYBUJBSNU-WBVHZDCISA-N 0 3 322.412 3.833 20 30 DHEDHN N#CC[C@@H]1CCCN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000595612521 1040206497 /nfs/dbraw/zinc/20/64/97/1040206497.db2.gz XUCCPDGOTSNRRX-ZDUSSCGKSA-N 0 3 312.335 3.753 20 30 DHEDHN COc1cccc(C2(NCc3ccc(CC#N)cc3)CCC2)c1 ZINC000595846604 1040262614 /nfs/dbraw/zinc/26/26/14/1040262614.db2.gz BGMVPSWEQSVCIB-UHFFFAOYSA-N 0 3 306.409 3.930 20 30 DHEDHN COc1cccc(C2(NCc3ccc(F)c(C#N)c3)CCC2)c1 ZINC000595863557 1040263787 /nfs/dbraw/zinc/26/37/87/1040263787.db2.gz ZFZBQJVROYLRIY-UHFFFAOYSA-N 0 3 310.372 3.875 20 30 DHEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966596 1040472332 /nfs/dbraw/zinc/47/23/32/1040472332.db2.gz CNGJJRAIUUGMLY-HOCLYGCPSA-N 0 3 300.402 3.940 20 30 DHEDHN C=CCOc1ccc(CNCc2ccnc(N3CCCC3)c2)cc1 ZINC000075761129 1040538371 /nfs/dbraw/zinc/53/83/71/1040538371.db2.gz RUIIQZRCANAKQG-UHFFFAOYSA-N 0 3 323.440 3.536 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000076737883 1040577753 /nfs/dbraw/zinc/57/77/53/1040577753.db2.gz PHCQFDUJFAWSLM-KRWDZBQOSA-N 0 3 313.445 3.528 20 30 DHEDHN CCN(CC)c1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000174280352 1040606508 /nfs/dbraw/zinc/60/65/08/1040606508.db2.gz LVZOMIZUXWSQLD-UHFFFAOYSA-N 0 3 323.440 3.703 20 30 DHEDHN N#CC1(c2ccc(CN3CCC[C@H]3c3ccncc3)cc2)CC1 ZINC000597127637 1040664743 /nfs/dbraw/zinc/66/47/43/1040664743.db2.gz PMSFBBPANQADOD-IBGZPJMESA-N 0 3 303.409 3.974 20 30 DHEDHN N#Cc1sccc1N1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000597183041 1040681366 /nfs/dbraw/zinc/68/13/66/1040681366.db2.gz INYQLGZZSFUIFU-SJORKVTESA-N 0 3 323.465 3.545 20 30 DHEDHN COc1cccc([C@]2(C)CCN(Cc3cc(C#N)cs3)C2)c1 ZINC000597212625 1040686661 /nfs/dbraw/zinc/68/66/61/1040686661.db2.gz WBVREXHPDQQLRS-GOSISDBHSA-N 0 3 312.438 3.792 20 30 DHEDHN N#CC1(c2ccc(CN3CCC(c4ccon4)CC3)cc2)CC1 ZINC000597227549 1040692903 /nfs/dbraw/zinc/69/29/03/1040692903.db2.gz GGWMAVYSXKPAJK-UHFFFAOYSA-N 0 3 307.397 3.609 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2nccnc2c1 ZINC000602020267 1040856219 /nfs/dbraw/zinc/85/62/19/1040856219.db2.gz OQZQWXTYZHMTTG-SFHVURJKSA-N 0 3 314.392 3.669 20 30 DHEDHN CN(Cc1cccc(C#N)n1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000602452354 1041030379 /nfs/dbraw/zinc/03/03/79/1041030379.db2.gz HWAHZFBARBIBDS-FXAWDEMLSA-N 0 3 321.424 3.553 20 30 DHEDHN C[C@H](c1ccc(F)cc1F)N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602461247 1041045887 /nfs/dbraw/zinc/04/58/87/1041045887.db2.gz DXGSVHUHYBANHG-LSDHHAIUSA-N 0 3 321.415 3.583 20 30 DHEDHN N#CC1CCC(NCc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000602532101 1041089993 /nfs/dbraw/zinc/08/99/93/1041089993.db2.gz VKUTZYXJCWFRRY-UHFFFAOYSA-N 0 3 320.440 3.533 20 30 DHEDHN C=CCCCCNCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282085055 334989149 /nfs/dbraw/zinc/98/91/49/334989149.db2.gz RMKUALZLXZYYKQ-UHFFFAOYSA-N 0 3 311.451 3.936 20 30 DHEDHN C=C(C)CN1CCC(N[C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405887 335000664 /nfs/dbraw/zinc/00/06/64/335000664.db2.gz LNNRQUDJVIDICZ-AWEZNQCLSA-N 0 3 319.518 3.713 20 30 DHEDHN C=CCOc1ccc(C[NH2+]Cc2cccc(OCC)c2[O-])cc1 ZINC000285652600 335024017 /nfs/dbraw/zinc/02/40/17/335024017.db2.gz SMACWHVKJHUFRP-UHFFFAOYSA-N 0 3 313.397 3.646 20 30 DHEDHN C=CCOc1ccc(CNCc2cccc(OCC)c2O)cc1 ZINC000285652600 335024014 /nfs/dbraw/zinc/02/40/14/335024014.db2.gz SMACWHVKJHUFRP-UHFFFAOYSA-N 0 3 313.397 3.646 20 30 DHEDHN C(#Cc1ccccc1)CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000192160767 335027060 /nfs/dbraw/zinc/02/70/60/335027060.db2.gz UTDCXOQJSDGXMR-PZJWPPBQSA-N 0 3 305.421 3.796 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2cc(C)n(C(C)C)c2C)n1 ZINC000041520762 183196505 /nfs/dbraw/zinc/19/65/05/183196505.db2.gz OFRLVOYHAQEFFT-AWEZNQCLSA-N 0 3 301.415 3.941 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000193407743 335048613 /nfs/dbraw/zinc/04/86/13/335048613.db2.gz WGCWIHJOVDTPHH-IBGZPJMESA-N 0 3 308.425 3.724 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000289483687 335063903 /nfs/dbraw/zinc/06/39/03/335063903.db2.gz BAZLTIVCGPCCAK-LJQANCHMSA-N 0 3 319.452 3.580 20 30 DHEDHN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(C#N)s1 ZINC000271476771 129920208 /nfs/dbraw/zinc/92/02/08/129920208.db2.gz LIJIEEBIDIMNQF-BDJLRTHQSA-N 0 3 304.390 3.625 20 30 DHEDHN COCCCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000285258977 131152162 /nfs/dbraw/zinc/15/21/62/131152162.db2.gz XIUDCPQOUHRGDF-INIZCTEOSA-N 0 3 324.424 3.824 20 30 DHEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2Cc2ccccc2C#N)C1 ZINC000340213347 131198848 /nfs/dbraw/zinc/19/88/48/131198848.db2.gz WNXFNPOFADSROP-XCLNPWKQSA-N 0 3 312.457 3.710 20 30 DHEDHN N#Cc1ccc(CN(CC[C@@H](O)c2ccccc2)C2CC2)cc1 ZINC000285957303 131212785 /nfs/dbraw/zinc/21/27/85/131212785.db2.gz KKJSWTYWXWNNLS-HXUWFJFHSA-N 0 3 306.409 3.646 20 30 DHEDHN N#Cc1ccccc1CSCCNCc1ccc(Cl)o1 ZINC000340459653 131823381 /nfs/dbraw/zinc/82/33/81/131823381.db2.gz ICMKXNAVJDJYCS-UHFFFAOYSA-N 0 3 306.818 3.828 20 30 DHEDHN C=CCN1CCC(NC(=O)c2ccc(C3=CCCC3)cc2)CC1 ZINC000290183762 335070080 /nfs/dbraw/zinc/07/00/80/335070080.db2.gz GGVQAAUCYAGBOD-UHFFFAOYSA-N 0 3 310.441 3.634 20 30 DHEDHN C=CCC[C@@H](NCc1cnc([C@@H](C)O)s1)c1ccccc1 ZINC000290546795 335072459 /nfs/dbraw/zinc/07/24/59/335072459.db2.gz YXCADGXOFOYGDL-CZUORRHYSA-N 0 3 302.443 3.994 20 30 DHEDHN C=CCCCCCN(C)Cc1cc(-c2cnn(C)c2C)no1 ZINC000184570054 335079275 /nfs/dbraw/zinc/07/92/75/335079275.db2.gz OHWNASOIYWEROC-UHFFFAOYSA-N 0 3 302.422 3.562 20 30 DHEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H](C)C2CCCCC2)c(C#N)c1C ZINC000182944983 331568123 /nfs/dbraw/zinc/56/81/23/331568123.db2.gz PRJZYPGAFBEYDW-STQMWFEESA-N 0 3 317.433 3.654 20 30 DHEDHN N#CC1CCC(CNCc2conc2Cc2ccccc2)CC1 ZINC000559303916 332021338 /nfs/dbraw/zinc/02/13/38/332021338.db2.gz KWZLSRQSEGNEKZ-UHFFFAOYSA-N 0 3 309.413 3.685 20 30 DHEDHN N#Cc1cccc(OCCN2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000520042048 332030965 /nfs/dbraw/zinc/03/09/65/332030965.db2.gz FGLYKHNNSXRBSS-IBGZPJMESA-N 0 3 324.399 3.783 20 30 DHEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccc2ccccc2c1 ZINC000569423687 332080119 /nfs/dbraw/zinc/08/01/19/332080119.db2.gz RMKLNTMUSKFWGV-OALUTQOASA-N 0 3 311.425 3.620 20 30 DHEDHN Cc1ccsc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000091792479 332112312 /nfs/dbraw/zinc/11/23/12/332112312.db2.gz AXOBIGOEIDBBPW-UHFFFAOYSA-N 0 3 311.454 3.641 20 30 DHEDHN C=CCN1CC[C@@H](N(CCCC)[C@H](C)c2ccccc2)C1=O ZINC000410340026 332113258 /nfs/dbraw/zinc/11/32/58/332113258.db2.gz VXCWAMWEJZJBCJ-SJLPKXTDSA-N 0 3 300.446 3.637 20 30 DHEDHN C=CCN1CC[C@H](N2CCC[C@H]2c2cccc3ccccc32)C1=O ZINC000410343897 332113522 /nfs/dbraw/zinc/11/35/22/332113522.db2.gz TXUPGODXCNVJAJ-PMACEKPBSA-N 0 3 320.436 3.764 20 30 DHEDHN C=CCN1CC[C@@H](N2CCCC[C@@H]2c2cccc(C)c2C)C1=O ZINC000410387398 332122624 /nfs/dbraw/zinc/12/26/24/332122624.db2.gz NGCFEQCCDJZDNG-RTBURBONSA-N 0 3 312.457 3.617 20 30 DHEDHN C=CCN1CC[C@H](N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000410390795 332123087 /nfs/dbraw/zinc/12/30/87/332123087.db2.gz RRWZXPZOVNLSOD-VBQJREDUSA-N 0 3 320.864 3.551 20 30 DHEDHN C=CCCCN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000448026014 332193954 /nfs/dbraw/zinc/19/39/54/332193954.db2.gz GQTFAMDRAWQQOM-QZTJIDSGSA-N 0 3 321.486 3.636 20 30 DHEDHN COc1ccc(CN2CC[C@@H](C)C[C@H]2C)cc1OCCCC#N ZINC000092762577 332209047 /nfs/dbraw/zinc/20/90/47/332209047.db2.gz WSMXCHDRSNZVNZ-HZPDHXFCSA-N 0 3 316.445 3.998 20 30 DHEDHN Cc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)c1C ZINC000115603266 332333843 /nfs/dbraw/zinc/33/38/43/332333843.db2.gz AJZHJVXXMVFOPE-CVEARBPZSA-N 0 3 321.424 3.853 20 30 DHEDHN C=CCOc1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000560611678 332368195 /nfs/dbraw/zinc/36/81/95/332368195.db2.gz NXPBTDWTGSHISQ-IBGZPJMESA-N 0 3 313.441 3.642 20 30 DHEDHN COc1ccc([C@@H]2CCCN2CCC(C)(C)C#N)cc1OC ZINC000119865209 332379328 /nfs/dbraw/zinc/37/93/28/332379328.db2.gz ZOQBIAFCSQHAAB-HNNXBMFYSA-N 0 3 302.418 3.781 20 30 DHEDHN C[C@](CO)(NCC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000427599035 332459851 /nfs/dbraw/zinc/45/98/51/332459851.db2.gz LEOQMKONOGYLLO-GOSISDBHSA-N 0 3 305.849 3.612 20 30 DHEDHN CCOc1ccc(O)c(CN[C@@H](CCC#N)c2ccccc2)c1 ZINC000130468481 332538483 /nfs/dbraw/zinc/53/84/83/332538483.db2.gz MMOHCGSZCJYNKE-SFHVURJKSA-N 0 3 310.397 3.926 20 30 DHEDHN Cc1cc(C)c(NC(=O)CCCN2CCC(C#N)CC2)c(C)c1 ZINC000136901529 332634422 /nfs/dbraw/zinc/63/44/22/332634422.db2.gz DTDPAMXWGBCOCJ-UHFFFAOYSA-N 0 3 313.445 3.566 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000185187751 335118308 /nfs/dbraw/zinc/11/83/08/335118308.db2.gz MNKVMPZFTCUIGQ-KRWDZBQOSA-N 0 3 314.473 3.678 20 30 DHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1N(C)C ZINC000180548377 333162849 /nfs/dbraw/zinc/16/28/49/333162849.db2.gz OHYLXDCUXBUJQP-HNNXBMFYSA-N 0 3 309.413 3.506 20 30 DHEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(OCC#N)cc1)[C@H](C)C2 ZINC000180848586 333165696 /nfs/dbraw/zinc/16/56/96/333165696.db2.gz YKLXNASTGSDUIQ-FOIQADDNSA-N 0 3 306.409 3.921 20 30 DHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C(C)C)C(C)C)c1C ZINC000183035867 333182691 /nfs/dbraw/zinc/18/26/91/333182691.db2.gz BORCWAKROXTDQA-UHFFFAOYSA-N 0 3 315.461 3.669 20 30 DHEDHN C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CN1C1CC1 ZINC000387908909 333184716 /nfs/dbraw/zinc/18/47/16/333184716.db2.gz RLRKKHNDJMCFFY-GWCFXTLKSA-N 0 3 309.335 3.614 20 30 DHEDHN C[C@H](c1ccncc1)N(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000183714273 333187239 /nfs/dbraw/zinc/18/72/39/333187239.db2.gz NMDCCQKRQWFSOZ-MRXNPFEDSA-N 0 3 308.429 3.624 20 30 DHEDHN C=CC(C)(C)CN[C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000497172374 333201763 /nfs/dbraw/zinc/20/17/63/333201763.db2.gz LTYXHIUCEIIMHL-ZDUSSCGKSA-N 0 3 319.449 3.713 20 30 DHEDHN C[C@@H](c1ccsc1)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000184973413 333203207 /nfs/dbraw/zinc/20/32/07/333203207.db2.gz YRUNVRWKCVEYGM-HNNXBMFYSA-N 0 3 305.491 3.757 20 30 DHEDHN C[C@H](c1ccsc1)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000185439208 333208634 /nfs/dbraw/zinc/20/86/34/333208634.db2.gz UVXDFIKWROUVMV-OAHLLOKOSA-N 0 3 305.491 3.757 20 30 DHEDHN CCSc1cccc(CNCc2ccc(OCC#N)cc2)c1 ZINC000185521392 333209603 /nfs/dbraw/zinc/20/96/03/333209603.db2.gz APRZYBBEACOJLB-UHFFFAOYSA-N 0 3 312.438 3.991 20 30 DHEDHN N#C[C@H]1CCC[C@@H](Nc2cccc(CN3CCSCC3)c2)C1 ZINC000185743569 333213268 /nfs/dbraw/zinc/21/32/68/333213268.db2.gz OIAHJSJFTNROGJ-DOTOQJQBSA-N 0 3 315.486 3.730 20 30 DHEDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185759516 333213513 /nfs/dbraw/zinc/21/35/13/333213513.db2.gz WGTYSFGGGZOHCS-IAGOWNOFSA-N 0 3 308.429 3.661 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000185766552 333213799 /nfs/dbraw/zinc/21/37/99/333213799.db2.gz TYZRVXLRVMBAMP-ZIAGYGMSSA-N 0 3 312.335 3.800 20 30 DHEDHN CC[C@H](C)C(=O)Nc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185791701 333214050 /nfs/dbraw/zinc/21/40/50/333214050.db2.gz AATGNAZLZBXAGO-YQQAZPJKSA-N 0 3 313.445 3.843 20 30 DHEDHN C[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccc(OCC#N)cc1 ZINC000186609894 333220929 /nfs/dbraw/zinc/22/09/29/333220929.db2.gz ALYDYRAMOXOMCA-HNNXBMFYSA-N 0 3 324.424 3.667 20 30 DHEDHN C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccc(OCC#N)cc1 ZINC000186609914 333220942 /nfs/dbraw/zinc/22/09/42/333220942.db2.gz ALYDYRAMOXOMCA-OAHLLOKOSA-N 0 3 324.424 3.667 20 30 DHEDHN C=CC[C@H](C)NCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000525759610 333239182 /nfs/dbraw/zinc/23/91/82/333239182.db2.gz BODDVZXGPFOSPS-BBRMVZONSA-N 0 3 309.837 3.952 20 30 DHEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000294963704 335129509 /nfs/dbraw/zinc/12/95/09/335129509.db2.gz MUOBTQAWOJDIHJ-WMZOPIPTSA-N 0 3 314.473 3.710 20 30 DHEDHN COc1cc(F)c([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000192864136 333294495 /nfs/dbraw/zinc/29/44/95/333294495.db2.gz QRRGQNLFTVOVOF-AVGNSLFASA-N 0 3 306.381 3.576 20 30 DHEDHN C=CCN1CCC([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000185383906 335132425 /nfs/dbraw/zinc/13/24/25/335132425.db2.gz IFHSNRILMWJYDF-HNNXBMFYSA-N 0 3 314.473 3.572 20 30 DHEDHN CC[C@H](C)CN(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000111253863 333328167 /nfs/dbraw/zinc/32/81/67/333328167.db2.gz DLQOMDMVKMMNGV-HNNXBMFYSA-N 0 3 315.461 3.528 20 30 DHEDHN C=CC1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000111259957 333328565 /nfs/dbraw/zinc/32/85/65/333328565.db2.gz BDLPQXMJMPNYQM-UHFFFAOYSA-N 0 3 312.457 3.711 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000295545981 335135676 /nfs/dbraw/zinc/13/56/76/335135676.db2.gz XWBJWBIKYQDNNF-MRXNPFEDSA-N 0 3 323.358 3.748 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000188418225 333366076 /nfs/dbraw/zinc/36/60/76/333366076.db2.gz CCKNEUNDVNQQGQ-OXQOHEQNSA-N 0 3 314.473 3.931 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)C1 ZINC000463290190 333370347 /nfs/dbraw/zinc/37/03/47/333370347.db2.gz UXPPGXZRAJBTRB-RNJTYBCJSA-N 0 3 302.393 3.718 20 30 DHEDHN C=CCN1CC[C@H](N[C@H](CC(C)(C)C)c2ccccc2)C1=O ZINC000337182196 333442788 /nfs/dbraw/zinc/44/27/88/333442788.db2.gz MWBWNDWZMNAGDT-DLBZAZTESA-N 0 3 300.446 3.540 20 30 DHEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(SC(C)C)cc2)C1=O ZINC000337188804 333443106 /nfs/dbraw/zinc/44/31/06/333443106.db2.gz RAXBEFYMORYTSE-PBHICJAKSA-N 0 3 318.486 3.625 20 30 DHEDHN C=CCC[C@@H](CC)NCc1nnc(-c2ccncc2F)s1 ZINC000366251835 333507434 /nfs/dbraw/zinc/50/74/34/333507434.db2.gz QLMSZXZKUDSDBW-LLVKDONJSA-N 0 3 306.410 3.574 20 30 DHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C12CCCN1CCC2 ZINC000339181110 333511392 /nfs/dbraw/zinc/51/13/92/333511392.db2.gz YYUWPTUNLNWZCP-UHFFFAOYSA-N 0 3 324.877 3.545 20 30 DHEDHN CC[C@@H](NCCC1(C#N)CCCCC1)c1c(C)nn(C)c1C ZINC000411515141 333686530 /nfs/dbraw/zinc/68/65/30/333686530.db2.gz HLRJLJQOOYACDZ-MRXNPFEDSA-N 0 3 302.466 3.942 20 30 DHEDHN CC[C@H](NCCC1(C#N)CCCCC1)c1c(C)nn(C)c1C ZINC000411515135 333686680 /nfs/dbraw/zinc/68/66/80/333686680.db2.gz HLRJLJQOOYACDZ-INIZCTEOSA-N 0 3 302.466 3.942 20 30 DHEDHN C=C(C)COCCN[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000537961223 333731230 /nfs/dbraw/zinc/73/12/30/333731230.db2.gz BRDWCYPWJMDDTJ-AWEZNQCLSA-N 0 3 303.402 3.993 20 30 DHEDHN C=C[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412289312 333744453 /nfs/dbraw/zinc/74/44/53/333744453.db2.gz MWOBIMBAQRCHNZ-LJQANCHMSA-N 0 3 312.457 3.853 20 30 DHEDHN CC(C)(CC#N)CN[C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000414166862 333916482 /nfs/dbraw/zinc/91/64/82/333916482.db2.gz OIUSEHODGBZOEY-IAGOWNOFSA-N 0 3 320.864 3.960 20 30 DHEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)CS1 ZINC000414492371 333996307 /nfs/dbraw/zinc/99/63/07/333996307.db2.gz AJFZVPRIQFSBNB-SKDRFNHKSA-N 0 3 300.349 3.561 20 30 DHEDHN N#Cc1ccc(CNCC2(c3c(F)cccc3F)CCC2)o1 ZINC000414506209 334001527 /nfs/dbraw/zinc/00/15/27/334001527.db2.gz NAFBPMYLGGLFJA-UHFFFAOYSA-N 0 3 302.324 3.641 20 30 DHEDHN C=C(C)COc1cc(CN[C@H](C)C2(OC)CCC2)ccc1OC ZINC000414518964 334005214 /nfs/dbraw/zinc/00/52/14/334005214.db2.gz AMUWRHVEWZUDAK-OAHLLOKOSA-N 0 3 319.445 3.697 20 30 DHEDHN COc1cccc(CN(C)Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000270981418 334017224 /nfs/dbraw/zinc/01/72/24/334017224.db2.gz DCNDWMRPIQXTMZ-UHFFFAOYSA-N 0 3 323.440 3.677 20 30 DHEDHN COc1ncccc1CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000271057110 334017801 /nfs/dbraw/zinc/01/78/01/334017801.db2.gz DNLRMEFUZTUIQW-UHFFFAOYSA-N 0 3 321.424 3.584 20 30 DHEDHN Cc1cc(C)cc([C@H](O)CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271878821 334028136 /nfs/dbraw/zinc/02/81/36/334028136.db2.gz YJKRARJJMBIGAF-OXJNMPFZSA-N 0 3 324.424 3.590 20 30 DHEDHN Cc1c(Cl)cnc(NC[C@@H](c2cccs2)N(C)C)c1C#N ZINC000343526669 335174831 /nfs/dbraw/zinc/17/48/31/335174831.db2.gz KTOWUCABNMFCNF-ZDUSSCGKSA-N 0 3 320.849 3.691 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(OCc3ccccc3)c2)C1 ZINC000274206432 334057188 /nfs/dbraw/zinc/05/71/88/334057188.db2.gz MLTHSZJXGSCQCX-IEBWSBKVSA-N 0 3 321.424 3.833 20 30 DHEDHN CC[C@H](NCc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000278330155 334094967 /nfs/dbraw/zinc/09/49/67/334094967.db2.gz WATSSWJHFBNEOI-KRWDZBQOSA-N 0 3 310.397 3.816 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCN(Cc3cccc4ccccc43)CC2)C1 ZINC000278753014 334100628 /nfs/dbraw/zinc/10/06/28/334100628.db2.gz XEWIXJWZELDGCG-XLIONFOSSA-N 0 3 319.452 3.650 20 30 DHEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cn1 ZINC000279816649 334112094 /nfs/dbraw/zinc/11/20/94/334112094.db2.gz PDGQGMSGRJBLLI-DMDPSCGWSA-N 0 3 308.223 3.577 20 30 DHEDHN CC(C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000280119865 334114516 /nfs/dbraw/zinc/11/45/16/334114516.db2.gz PXEUXTVHWFUZJC-QGZVFWFLSA-N 0 3 323.440 3.573 20 30 DHEDHN CC(C)[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280434576 334117377 /nfs/dbraw/zinc/11/73/77/334117377.db2.gz MPBYMWKGPRQBNH-RTBURBONSA-N 0 3 323.440 3.525 20 30 DHEDHN C[C@H](NCCCC(C)(C)C#N)c1ccc(Br)cn1 ZINC000280630269 334118801 /nfs/dbraw/zinc/11/88/01/334118801.db2.gz XJRTZYGYHOMOLI-NSHDSACASA-N 0 3 310.239 3.825 20 30 DHEDHN C[C@H](c1ccccc1F)N(C)CCCC1(C#N)CCOCC1 ZINC000281983295 334130168 /nfs/dbraw/zinc/13/01/68/334130168.db2.gz MCAHWAHKLMKALT-OAHLLOKOSA-N 0 3 304.409 3.919 20 30 DHEDHN COc1ccc(CN(CCCC#N)[C@H](C)C2CC2)c(OC)c1 ZINC000282417629 334134468 /nfs/dbraw/zinc/13/44/68/334134468.db2.gz JDBHHYPJNVKQIS-CQSZACIVSA-N 0 3 302.418 3.608 20 30 DHEDHN CCC(CC)N(CC)CC(=O)Nc1ccccc1SCC#N ZINC000289380176 334164766 /nfs/dbraw/zinc/16/47/66/334164766.db2.gz JDICOLDBOXFCKR-UHFFFAOYSA-N 0 3 319.474 3.751 20 30 DHEDHN C#C[C@H](NCc1ccc(OC)c(OCCCC#N)c1)C(C)(C)C ZINC000290234175 334171850 /nfs/dbraw/zinc/17/18/50/334171850.db2.gz TYIBOZJKPUIFGM-SFHVURJKSA-N 0 3 314.429 3.515 20 30 DHEDHN COc1ccc2[nH]cc(C3=CCN([C@H]4CC[C@H](C#N)C4)CC3)c2c1 ZINC000292787611 334192407 /nfs/dbraw/zinc/19/24/07/334192407.db2.gz LDNNEYRGTVFDGB-HOCLYGCPSA-N 0 3 321.424 3.958 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC(c3noc4cc(F)ccc43)CC2)C1 ZINC000293542534 334198946 /nfs/dbraw/zinc/19/89/46/334198946.db2.gz KJXSUMWJORIHBG-DOMZBBRYSA-N 0 3 313.376 3.839 20 30 DHEDHN CC(C)CCOc1ccc([C@H](C)NCCOCCC#N)cc1 ZINC000293739543 334201668 /nfs/dbraw/zinc/20/16/68/334201668.db2.gz HLTRJSNXTHLRFN-INIZCTEOSA-N 0 3 304.434 3.692 20 30 DHEDHN CCC1(C)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000297348018 334240709 /nfs/dbraw/zinc/24/07/09/334240709.db2.gz GGVLQZPPGVICED-UHFFFAOYSA-N 0 3 308.429 3.696 20 30 DHEDHN C=CCOc1cccc(CNCc2cccc3c2CCCN3)c1 ZINC000415031944 334260366 /nfs/dbraw/zinc/26/03/66/334260366.db2.gz IRNGCMJPVNEEIE-UHFFFAOYSA-N 0 3 308.425 3.899 20 30 DHEDHN C=CCN1CC[C@@H](N(C)C[C@@H](CC(C)C)c2ccccc2)C1=O ZINC000467524434 334266559 /nfs/dbraw/zinc/26/65/59/334266559.db2.gz YVIJBVVAFNHZQL-RTBURBONSA-N 0 3 314.473 3.535 20 30 DHEDHN CC[C@H](CC#N)N[C@@H]1CCc2cc(Br)ccc2C1 ZINC000110823128 334291256 /nfs/dbraw/zinc/29/12/56/334291256.db2.gz WPIQWRCZHRRCHS-HUUCEWRRSA-N 0 3 307.235 3.588 20 30 DHEDHN C=CCN1CC[C@@H](N(C)[C@H](C)c2cccc3ccccc32)C1=O ZINC000531949940 334303841 /nfs/dbraw/zinc/30/38/41/334303841.db2.gz VVTCTXAHLBWEMW-DNVCBOLYSA-N 0 3 308.425 3.620 20 30 DHEDHN COc1ccc(C[C@@H](C)CN(C)Cc2ccccc2C#N)cc1 ZINC000534904323 334347818 /nfs/dbraw/zinc/34/78/18/334347818.db2.gz VFPRZAKXNVFXCV-MRXNPFEDSA-N 0 3 308.425 3.877 20 30 DHEDHN COc1ccc(C[C@H](C)CN(C)Cc2ccccc2C#N)cc1 ZINC000534904321 334347938 /nfs/dbraw/zinc/34/79/38/334347938.db2.gz VFPRZAKXNVFXCV-INIZCTEOSA-N 0 3 308.425 3.877 20 30 DHEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000534941177 334349689 /nfs/dbraw/zinc/34/96/89/334349689.db2.gz DXOKVTMTYBSPBT-HNAYVOBHSA-N 0 3 304.393 3.515 20 30 DHEDHN C=CCN(CC1CCCCC1)C(=O)c1ccc(CN(C)C)cc1 ZINC000112183918 334368685 /nfs/dbraw/zinc/36/86/85/334368685.db2.gz GFGRERQMYIEPFK-UHFFFAOYSA-N 0 3 314.473 3.957 20 30 DHEDHN CCC(CC)[C@@H](NCC(=O)N(CC)CCC#N)c1ccccc1 ZINC000341595362 334460228 /nfs/dbraw/zinc/46/02/28/334460228.db2.gz KJCVPESBOJBYEO-LJQANCHMSA-N 0 3 315.461 3.516 20 30 DHEDHN C=CC[C@H](CO)CN[C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000341892849 334493034 /nfs/dbraw/zinc/49/30/34/334493034.db2.gz XFCVVEBOZVTGRN-BBRMVZONSA-N 0 3 309.837 3.636 20 30 DHEDHN COCC1(C#N)CCN([C@H](C)CCSc2ccccc2)CC1 ZINC000342013970 334501620 /nfs/dbraw/zinc/50/16/20/334501620.db2.gz JFDFBUJIPFHYMZ-MRXNPFEDSA-N 0 3 318.486 3.809 20 30 DHEDHN CC[C@@H](NCCOc1ccccc1C#N)c1cc(F)ccc1F ZINC000342020432 334502011 /nfs/dbraw/zinc/50/20/11/334502011.db2.gz ZUOYNMUDDBMTRR-QGZVFWFLSA-N 0 3 316.351 3.956 20 30 DHEDHN CC(C)(CCC#N)CNCc1csc(-c2ccccn2)n1 ZINC000342282331 334524328 /nfs/dbraw/zinc/52/43/28/334524328.db2.gz PKTVREPJEIXHCG-UHFFFAOYSA-N 0 3 300.431 3.625 20 30 DHEDHN C[C@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)NCC1CCCCC1 ZINC000328677889 334748477 /nfs/dbraw/zinc/74/84/77/334748477.db2.gz AVBCLPNDHGJUFF-DZGCQCFKSA-N 0 3 321.465 3.543 20 30 DHEDHN C[C@@H](N[C@H](CO)CC1CCCCC1)c1ccc(C#N)cc1F ZINC000417367757 334761672 /nfs/dbraw/zinc/76/16/72/334761672.db2.gz PHCKTGUBOOBLIP-CJNGLKHVSA-N 0 3 304.409 3.679 20 30 DHEDHN CO[C@@H](CNCc1ccc(C#N)c(C)c1)c1ccc(Cl)cc1 ZINC000443991572 338465740 /nfs/dbraw/zinc/46/57/40/338465740.db2.gz VVDRSTCNTTWIAY-SFHVURJKSA-N 0 3 314.816 3.997 20 30 DHEDHN CC[C@H](NCc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000054809919 334923635 /nfs/dbraw/zinc/92/36/35/334923635.db2.gz NVHUCMDSROHDMF-KRWDZBQOSA-N 0 3 308.381 3.570 20 30 DHEDHN CCCN(CC)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000343647206 335184700 /nfs/dbraw/zinc/18/47/00/335184700.db2.gz MNOIODUXXUVSMT-KRWDZBQOSA-N 0 3 315.461 3.671 20 30 DHEDHN C=C1CCN(CCCCOc2c(OC)cccc2OC)CC1 ZINC000343818979 335195386 /nfs/dbraw/zinc/19/53/86/335195386.db2.gz PIXWBPHZKFYQJS-UHFFFAOYSA-N 0 3 305.418 3.515 20 30 DHEDHN C[C@H](NC[C@@]1(C)CCO[C@@H]1C1CC1)c1ccc(C#N)cc1F ZINC000344130265 335220111 /nfs/dbraw/zinc/22/01/11/335220111.db2.gz LOZGEWHJGZRKNX-JBBXEZCESA-N 0 3 302.393 3.553 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCOCc1ccc(C#N)cc1 ZINC000344134698 335220661 /nfs/dbraw/zinc/22/06/61/335220661.db2.gz YZZJOPJASIRHPE-INIZCTEOSA-N 0 3 319.408 3.640 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOCc1ccc(C#N)cc1 ZINC000344101531 335223156 /nfs/dbraw/zinc/22/31/56/335223156.db2.gz FGAFFLLYKXARGE-INIZCTEOSA-N 0 3 319.408 3.640 20 30 DHEDHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCCCC#N ZINC000344324329 335245774 /nfs/dbraw/zinc/24/57/74/335245774.db2.gz KNPYYHUGJUNYFL-UHFFFAOYSA-N 0 3 316.836 3.595 20 30 DHEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)C(C)C#N ZINC000345456317 335326716 /nfs/dbraw/zinc/32/67/16/335326716.db2.gz WQLSTAHZAKYFFJ-DGCLKSJQSA-N 0 3 313.426 3.798 20 30 DHEDHN C[C@H](NCc1ccccc1-n1cccn1)c1ccc(C#N)c(F)c1 ZINC000346183002 335378693 /nfs/dbraw/zinc/37/86/93/335378693.db2.gz MREHMCGPASEBSB-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN CC(C)(NCCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000348315431 335576055 /nfs/dbraw/zinc/57/60/55/335576055.db2.gz HPDOASWOQOAHFT-UHFFFAOYSA-N 0 3 319.455 3.535 20 30 DHEDHN N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000583497748 335621197 /nfs/dbraw/zinc/62/11/97/335621197.db2.gz FKXJHISQXKTYEO-GXTWGEPZSA-N 0 3 300.299 3.908 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000349853286 335704183 /nfs/dbraw/zinc/70/41/83/335704183.db2.gz RPJPDNJHMFINHS-IAGOWNOFSA-N 0 3 316.408 3.807 20 30 DHEDHN CC[C@H](NCC(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCCO1 ZINC000329403337 335972287 /nfs/dbraw/zinc/97/22/87/335972287.db2.gz CDLFATPALLHFNC-RCCFBDPRSA-N 0 3 316.445 3.568 20 30 DHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)CN(C)C ZINC000351533588 336041139 /nfs/dbraw/zinc/04/11/39/336041139.db2.gz JAVGARPRTAJCIV-CQSZACIVSA-N 0 3 303.450 3.610 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCC2 ZINC000351583939 336047155 /nfs/dbraw/zinc/04/71/55/336047155.db2.gz QNAINDCJSACDAC-UHFFFAOYSA-N 0 3 320.436 3.696 20 30 DHEDHN Cc1nc2c(cccc2C(=O)NCCN2CCCC(C)(C)C2)o1 ZINC000329928499 336096434 /nfs/dbraw/zinc/09/64/34/336096434.db2.gz MKOJTRZHZCWXJY-UHFFFAOYSA-N 0 3 315.417 3.563 20 30 DHEDHN Cc1cccc2oc(CCNC(=O)CN3[C@H](C)CC[C@@H]3C)nc21 ZINC000329942328 336097743 /nfs/dbraw/zinc/09/77/43/336097743.db2.gz HEBSFUUVSIROSO-OKILXGFUSA-N 0 3 315.417 3.508 20 30 DHEDHN N#Cc1ccc(C2(C(=O)NC[C@@H]3CCCCN3C3CC3)CC2)cc1 ZINC000329962598 336100442 /nfs/dbraw/zinc/10/04/42/336100442.db2.gz SFAWWBQLCKBUAO-SFHVURJKSA-N 0 3 323.440 3.563 20 30 DHEDHN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCCN1C1CCCC1 ZINC000330299249 336137741 /nfs/dbraw/zinc/13/77/41/336137741.db2.gz MEXZJAUHIUZSCE-HNNXBMFYSA-N 0 3 316.401 3.800 20 30 DHEDHN COc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000194351826 338515966 /nfs/dbraw/zinc/51/59/66/338515966.db2.gz DMBVRFLYDJQWJT-KGLIPLIRSA-N 0 3 310.397 3.987 20 30 DHEDHN CCN(CC)C(=O)[C@@H](NCC(C)(C)CCC#N)c1ccccc1 ZINC000352262586 336208303 /nfs/dbraw/zinc/20/83/03/336208303.db2.gz IQADWRYRIUWCDP-KRWDZBQOSA-N 0 3 315.461 3.516 20 30 DHEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCCO1 ZINC000103480585 336241958 /nfs/dbraw/zinc/24/19/58/336241958.db2.gz YUTKVKYLJSJYAE-IBGZPJMESA-N 0 3 306.409 3.836 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000103499565 336241981 /nfs/dbraw/zinc/24/19/81/336241981.db2.gz KLDFYZNIFJCGOC-KGLIPLIRSA-N 0 3 306.475 3.528 20 30 DHEDHN CC(C)OC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000532622941 336257228 /nfs/dbraw/zinc/25/72/28/336257228.db2.gz QWRXZKYLFKJEAE-UHFFFAOYSA-N 0 3 300.446 3.877 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000532701831 336267120 /nfs/dbraw/zinc/26/71/20/336267120.db2.gz ZJPDKDYVKVHSCJ-IBGZPJMESA-N 0 3 300.446 3.542 20 30 DHEDHN C=CCSCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352832991 336270439 /nfs/dbraw/zinc/27/04/39/336270439.db2.gz GJTAGUZCSWVPLQ-UHFFFAOYSA-N 0 3 300.349 3.586 20 30 DHEDHN C[C@H](NC[C@H](c1ccco1)N1CCCC1)c1ccc(C#N)cc1 ZINC000192915979 336284431 /nfs/dbraw/zinc/28/44/31/336284431.db2.gz WHRFOILYNKDQRW-MAUKXSAKSA-N 0 3 309.413 3.639 20 30 DHEDHN CCN(CC)[C@@H](CNc1ccc(Cl)c(C#N)n1)c1ccco1 ZINC000301281374 336298461 /nfs/dbraw/zinc/29/84/61/336298461.db2.gz XRRBKZOMSXXSEN-AWEZNQCLSA-N 0 3 318.808 3.695 20 30 DHEDHN CN(C)[C@@H](CNc1ccc(F)cc1C#N)c1cccc(F)c1 ZINC000301370482 336303005 /nfs/dbraw/zinc/30/30/05/336303005.db2.gz SHVRBDZMWMDGLZ-KRWDZBQOSA-N 0 3 301.340 3.551 20 30 DHEDHN CN1CCC[C@@H](CNc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000301438508 336306752 /nfs/dbraw/zinc/30/67/52/336306752.db2.gz STXJOUZSXQHSEA-SUMWQHHRSA-N 0 3 312.442 3.510 20 30 DHEDHN CCN(CC)[C@H](CNc1ccc(C#N)nc1)c1ccsc1 ZINC000301525728 336312466 /nfs/dbraw/zinc/31/24/66/336312466.db2.gz PPKBPMCXVFUIGD-MRXNPFEDSA-N 0 3 300.431 3.510 20 30 DHEDHN C=CCN1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301628956 336319295 /nfs/dbraw/zinc/31/92/95/336319295.db2.gz RSRLNACXZIBYRS-UHFFFAOYSA-N 0 3 309.335 3.639 20 30 DHEDHN C[C@@H]1CN(CCCCNc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000301710893 336324928 /nfs/dbraw/zinc/32/49/28/336324928.db2.gz HVOYAOSXZDXAMV-OKILXGFUSA-N 0 3 321.852 3.513 20 30 DHEDHN CN(CCNc1ccc2cc(C#N)ccc2n1)Cc1ccccc1 ZINC000301981281 336341239 /nfs/dbraw/zinc/34/12/39/336341239.db2.gz QGKBINXVZSDUDC-UHFFFAOYSA-N 0 3 316.408 3.650 20 30 DHEDHN CC(=O)c1ccc(C#N)c(N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000302107563 336348898 /nfs/dbraw/zinc/34/88/98/336348898.db2.gz OEAWZJFPZYSZES-QLFBSQMISA-N 0 3 313.445 3.539 20 30 DHEDHN CC(=O)c1ccc(C#N)cc1N[C@H](C)CN(C)Cc1ccccc1 ZINC000302111209 336348951 /nfs/dbraw/zinc/34/89/51/336348951.db2.gz AJTPLPNOFIFPNC-OAHLLOKOSA-N 0 3 321.424 3.693 20 30 DHEDHN CC1=CCN(CCNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000302138975 336350418 /nfs/dbraw/zinc/35/04/18/336350418.db2.gz FZUMZSXMEJPGLA-UHFFFAOYSA-N 0 3 309.335 3.641 20 30 DHEDHN C=CCN1CCC(Nc2cc(C(C)(C)C)nc(C(C)C)n2)CC1 ZINC000302784781 336369040 /nfs/dbraw/zinc/36/90/40/336369040.db2.gz VAMDTVJQWRBRKQ-UHFFFAOYSA-N 0 3 316.493 3.960 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1cccc(-n2cccn2)c1 ZINC000353005137 336381757 /nfs/dbraw/zinc/38/17/57/336381757.db2.gz SYHLDZRDDOEHHS-UHFFFAOYSA-N 0 3 307.397 3.696 20 30 DHEDHN N#Cc1csc(CN[C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000353060867 336391911 /nfs/dbraw/zinc/39/19/11/336391911.db2.gz KYBNYNIVVFQEGS-GOSISDBHSA-N 0 3 324.449 3.804 20 30 DHEDHN COc1cc(CN[C@@H]2CSCCc3ccccc32)ccc1C#N ZINC000353612007 336428803 /nfs/dbraw/zinc/42/88/03/336428803.db2.gz QAQMMBMRTMKPHZ-GOSISDBHSA-N 0 3 324.449 3.687 20 30 DHEDHN COCCCC[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000355293255 336502947 /nfs/dbraw/zinc/50/29/47/336502947.db2.gz QSSDSZRVQWMYDC-LJQANCHMSA-N 0 3 311.429 3.544 20 30 DHEDHN C[C@@H](NCc1cccc(CN(C)C)c1)c1ccc(C#N)cc1F ZINC000358566995 336634920 /nfs/dbraw/zinc/63/49/20/336634920.db2.gz IQAVHEXAVFHGCF-CQSZACIVSA-N 0 3 311.404 3.610 20 30 DHEDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367316489 336636431 /nfs/dbraw/zinc/63/64/31/336636431.db2.gz DGPURTPKIGIIBK-KRWDZBQOSA-N 0 3 321.424 3.796 20 30 DHEDHN C#Cc1ccc(CN[C@H](c2ccccc2)C2CCOCC2)cc1 ZINC000368030691 336835944 /nfs/dbraw/zinc/83/59/44/336835944.db2.gz OVKIRGGOZAPUJJ-OAQYLSRUSA-N 0 3 305.421 3.925 20 30 DHEDHN CCN(C)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418136139 336897033 /nfs/dbraw/zinc/89/70/33/336897033.db2.gz ABWCNHZRIGZKDH-IBGZPJMESA-N 0 3 320.440 3.577 20 30 DHEDHN C[C@@H](NC[C@H]1OCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000371541622 336907559 /nfs/dbraw/zinc/90/75/59/336907559.db2.gz CYQDQRQTUFTKSL-FOIQADDNSA-N 0 3 322.408 3.554 20 30 DHEDHN Cc1cncc([C@H](C)N[C@@H]2CCCN(c3ccccc3C#N)C2)c1 ZINC000375115551 337003663 /nfs/dbraw/zinc/00/36/63/337003663.db2.gz RAOOWXNAYSKHGO-QFBILLFUSA-N 0 3 320.440 3.581 20 30 DHEDHN C[C@@H](NC[C@H]1CCCn2ccnc21)c1ccc(C#N)cc1Cl ZINC000375740496 337018473 /nfs/dbraw/zinc/01/84/73/337018473.db2.gz FZKHBTJWFHYBMW-TZMCWYRMSA-N 0 3 314.820 3.636 20 30 DHEDHN C=CCC[C@H](CCC)N[C@@H](c1nc(C)no1)C1CCOCC1 ZINC000375889230 337022159 /nfs/dbraw/zinc/02/21/59/337022159.db2.gz HKPDHKGXANTDOM-JKSUJKDBSA-N 0 3 307.438 3.570 20 30 DHEDHN CN1CCC[C@@H](CNc2cc(C#N)ccn2)[C@H]1c1cccs1 ZINC000376449700 337033707 /nfs/dbraw/zinc/03/37/07/337033707.db2.gz QINAIQZVJRFNJA-YOEHRIQHSA-N 0 3 312.442 3.510 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000376956097 337044111 /nfs/dbraw/zinc/04/41/11/337044111.db2.gz QRSAIYOQTAEJIR-SFHVURJKSA-N 0 3 314.473 3.632 20 30 DHEDHN Fc1ccc(C#CCN[C@@H](c2ccccc2)C2CCOCC2)cc1 ZINC000378462712 337073479 /nfs/dbraw/zinc/07/34/79/337073479.db2.gz NOWHJAZWRZMVAM-NRFANRHFSA-N 0 3 323.411 3.935 20 30 DHEDHN C=CCC[C@H](O)CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360037902 337084169 /nfs/dbraw/zinc/08/41/69/337084169.db2.gz SLDWHHVJMYGRIT-HOCLYGCPSA-N 0 3 300.402 3.682 20 30 DHEDHN C[C@H]1c2ccccc2CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000170956190 337085539 /nfs/dbraw/zinc/08/55/39/337085539.db2.gz WBQTXYCPIIWSSR-HNNXBMFYSA-N 0 3 319.408 3.506 20 30 DHEDHN C[C@@H]1c2ccccc2CCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000170956187 337085553 /nfs/dbraw/zinc/08/55/53/337085553.db2.gz WBQTXYCPIIWSSR-OAHLLOKOSA-N 0 3 319.408 3.506 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000171739401 337088543 /nfs/dbraw/zinc/08/85/43/337088543.db2.gz AVCZJDYREAMTNP-UHFFFAOYSA-N 0 3 315.461 3.756 20 30 DHEDHN N#Cc1ccc(CN(C[C@H]2CCCO2)C2CCCC2)c(F)c1 ZINC000173836099 337138605 /nfs/dbraw/zinc/13/86/05/337138605.db2.gz RTXFIELRFUXZJV-QGZVFWFLSA-N 0 3 302.393 3.621 20 30 DHEDHN C=CCC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccccc1 ZINC000178757859 337164969 /nfs/dbraw/zinc/16/49/69/337164969.db2.gz VMXRDFPIGWNTLQ-LJQANCHMSA-N 0 3 308.425 3.843 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000582789820 337166756 /nfs/dbraw/zinc/16/67/56/337166756.db2.gz DKJFUVLLDRZTIX-CRAIPNDOSA-N 0 3 322.880 3.704 20 30 DHEDHN CCCN(Cc1cnn2ccccc12)Cc1ccc(C#N)cc1 ZINC000179458709 337169587 /nfs/dbraw/zinc/16/95/87/337169587.db2.gz OMPHPXSTCHZQHO-UHFFFAOYSA-N 0 3 304.397 3.618 20 30 DHEDHN COc1c(C)cc(C(=O)C(C#N)c2nc(C)cs2)cc1C ZINC000180731343 337177533 /nfs/dbraw/zinc/17/75/33/337177533.db2.gz TYFODAVGFKSCAC-CYBMUJFWSA-N 0 3 300.383 3.567 20 30 DHEDHN C[C@H](NCc1ccccc1-n1ccnc1)c1ccc(C#N)cc1 ZINC000181568864 337182992 /nfs/dbraw/zinc/18/29/92/337182992.db2.gz XLZCBYTYBRQHKP-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN C[C@@H](NCc1ccccc1-n1ccnc1)c1ccc(C#N)s1 ZINC000183255703 337192654 /nfs/dbraw/zinc/19/26/54/337192654.db2.gz UJZQALFRDSWNBU-CYBMUJFWSA-N 0 3 308.410 3.656 20 30 DHEDHN N#CCCCOc1cccc(CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000582846303 337207428 /nfs/dbraw/zinc/20/74/28/337207428.db2.gz ICLRVDDPLBTAJV-LJQANCHMSA-N 0 3 321.424 3.754 20 30 DHEDHN CC1(C#N)CCC(NCc2nnc(-c3ccccc3)s2)CC1 ZINC000582945157 337220791 /nfs/dbraw/zinc/22/07/91/337220791.db2.gz RZGPKYOSDPUEIO-UHFFFAOYSA-N 0 3 312.442 3.767 20 30 DHEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000185589958 337249273 /nfs/dbraw/zinc/24/92/73/337249273.db2.gz GBEBMDCRWLQETF-MAUKXSAKSA-N 0 3 323.440 3.858 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](c1ccccc1)C(C)C ZINC000532908522 337259472 /nfs/dbraw/zinc/25/94/72/337259472.db2.gz WXCOEKNXWTZYTK-AEFFLSMTSA-N 0 3 300.446 3.562 20 30 DHEDHN C=CCC[C@@H](C(=O)N(C)CC1CCN(C)CC1)c1ccccc1 ZINC000189139063 337277694 /nfs/dbraw/zinc/27/76/94/337277694.db2.gz DWHHFZREYHNXTM-LJQANCHMSA-N 0 3 314.473 3.537 20 30 DHEDHN C=CCC1(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CCC1 ZINC000189282735 337278232 /nfs/dbraw/zinc/27/82/32/337278232.db2.gz QGWKXKSCHPEQOB-WMZOPIPTSA-N 0 3 312.457 3.512 20 30 DHEDHN C=CCC1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC1 ZINC000191303281 337295703 /nfs/dbraw/zinc/29/57/03/337295703.db2.gz BAACIRCMOFCZLR-GOSISDBHSA-N 0 3 312.457 3.686 20 30 DHEDHN N#Cc1ccc(CNCCc2cccc3cccnc32)c(F)c1 ZINC000321859733 337299355 /nfs/dbraw/zinc/29/93/55/337299355.db2.gz XUNCMPTYMFESKR-UHFFFAOYSA-N 0 3 305.356 3.578 20 30 DHEDHN N#Cc1ccc(CN(CCO)[C@H]2CCCc3ccccc32)cc1F ZINC000192105122 337302932 /nfs/dbraw/zinc/30/29/32/337302932.db2.gz YJBWFTIDFXZHFT-FQEVSTJZSA-N 0 3 324.399 3.569 20 30 DHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000192160356 337303396 /nfs/dbraw/zinc/30/33/96/337303396.db2.gz VWYJPCZPLQGDHT-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(-n2cccn2)c1 ZINC000192157453 337303490 /nfs/dbraw/zinc/30/34/90/337303490.db2.gz AAYPQUHIXMSXER-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN C=C[C@H]1CCCCN1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418487067 337385524 /nfs/dbraw/zinc/38/55/24/337385524.db2.gz KOHSNNXZKUVHJS-OALUTQOASA-N 0 3 323.440 3.590 20 30 DHEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418487066 337385533 /nfs/dbraw/zinc/38/55/33/337385533.db2.gz KOHSNNXZKUVHJS-MOPGFXCFSA-N 0 3 323.440 3.590 20 30 DHEDHN CCN(CC)[C@@H](CNc1ncc2c(c1C#N)CCC2)c1ccco1 ZINC000425206781 337438770 /nfs/dbraw/zinc/43/87/70/337438770.db2.gz CYLRSQWABGBEMA-KRWDZBQOSA-N 0 3 324.428 3.530 20 30 DHEDHN C[C@H](N[C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(C#N)s1 ZINC000135051504 337450710 /nfs/dbraw/zinc/45/07/10/337450710.db2.gz TZVWTNMEECURRF-CFVMTHIKSA-N 0 3 300.431 3.651 20 30 DHEDHN Cc1nc(C2CCN(Cc3ccccc3C(C)(C)C#N)CC2)no1 ZINC000135165528 337450942 /nfs/dbraw/zinc/45/09/42/337450942.db2.gz FSRUPQLJCNQHBA-UHFFFAOYSA-N 0 3 324.428 3.559 20 30 DHEDHN Cc1ccc(-c2n[nH]cc2CNCc2cccc(C#N)c2)cc1 ZINC000237686003 337469255 /nfs/dbraw/zinc/46/92/55/337469255.db2.gz YEVOYSIHLFDGCX-UHFFFAOYSA-N 0 3 302.381 3.547 20 30 DHEDHN CC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CC1(C)C ZINC000419319386 337479260 /nfs/dbraw/zinc/47/92/60/337479260.db2.gz ORCDWDRRUDBSFW-CABCVRRESA-N 0 3 310.401 3.523 20 30 DHEDHN COc1cc(CNCc2ccc(Cl)c(C)c2)ccc1C#N ZINC000571725506 337575023 /nfs/dbraw/zinc/57/50/23/337575023.db2.gz LVXLBMVJZQRYSY-UHFFFAOYSA-N 0 3 300.789 3.819 20 30 DHEDHN CC(C)(C)c1csc(CNC(=N)Nc2cc(F)ccc2F)n1 ZINC000262320927 337616806 /nfs/dbraw/zinc/61/68/06/337616806.db2.gz VRQAOUPWNPNRJG-UHFFFAOYSA-N 0 3 324.400 3.646 20 30 DHEDHN C=CCC[C@H](NCc1nnc2ccc(C(F)(F)F)cn21)C1CC1 ZINC000269708365 337637615 /nfs/dbraw/zinc/63/76/15/337637615.db2.gz NOHSGYIGTQXVIH-ZDUSSCGKSA-N 0 3 324.350 3.583 20 30 DHEDHN C#CC[C@@H](NCc1ccc(OCCOC)cc1)c1ccccc1 ZINC000270191108 337639340 /nfs/dbraw/zinc/63/93/40/337639340.db2.gz KYFHIDDDZWQKJE-HXUWFJFHSA-N 0 3 309.409 3.566 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000274357498 337659615 /nfs/dbraw/zinc/65/96/15/337659615.db2.gz RCXJJUAKCGSUSN-QGZVFWFLSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCCCCCN[C@@H](CCSC)c1nnc2ccccn21 ZINC000278896607 337668110 /nfs/dbraw/zinc/66/81/10/337668110.db2.gz QYTBLUWEFVTGEF-HNNXBMFYSA-N 0 3 318.490 3.860 20 30 DHEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000424101842 337736680 /nfs/dbraw/zinc/73/66/80/337736680.db2.gz KLNPURQVBRZXMR-MOPGFXCFSA-N 0 3 321.424 3.524 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C(C)C)CC1 ZINC000106338878 337816715 /nfs/dbraw/zinc/81/67/15/337816715.db2.gz RAUTWDVDCSRUJV-ROUUACIJSA-N 0 3 321.509 3.541 20 30 DHEDHN C=C(C)COCCN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000090450963 337880981 /nfs/dbraw/zinc/88/09/81/337880981.db2.gz ZCQZJFNRIJFZDB-AWEZNQCLSA-N 0 3 317.408 3.563 20 30 DHEDHN Cc1cc(C)cc([C@@H](C)NCCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000537104708 337891809 /nfs/dbraw/zinc/89/18/09/337891809.db2.gz PMCZVJDSFHYKTL-MRXNPFEDSA-N 0 3 321.424 3.855 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cccc(SCC)c2)CC1 ZINC000121634704 337896807 /nfs/dbraw/zinc/89/68/07/337896807.db2.gz MLJWNKOWXGILDU-UHFFFAOYSA-N 0 3 318.486 3.569 20 30 DHEDHN CC(C)c1nnc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000426297860 338025322 /nfs/dbraw/zinc/02/53/22/338025322.db2.gz FHYHNTVKSHMHIT-NSHDSACASA-N 0 3 318.421 3.566 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@H]32)c(Br)c1 ZINC000426522514 338033981 /nfs/dbraw/zinc/03/39/81/338033981.db2.gz KHFNEPRYEUJXBO-IUODEOHRSA-N 0 3 305.219 3.695 20 30 DHEDHN CC(C#N)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000448450518 338061271 /nfs/dbraw/zinc/06/12/71/338061271.db2.gz ARVWVVMFXBMGBP-NSHDSACASA-N 0 3 308.834 3.583 20 30 DHEDHN C=CCN(CC=C)C(=O)CN(C(C)C)[C@H](C)c1ccccc1 ZINC000428853347 338062514 /nfs/dbraw/zinc/06/25/14/338062514.db2.gz YLDXBVHJBUTZEV-QGZVFWFLSA-N 0 3 300.446 3.659 20 30 DHEDHN CO[C@@H]1CCCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000429520598 338082987 /nfs/dbraw/zinc/08/29/87/338082987.db2.gz DGCWKGKGRROKTK-HZPDHXFCSA-N 0 3 311.347 3.604 20 30 DHEDHN CCOc1cc(CN(C)[C@@H]2CC[C@H](C#N)C2)ccc1OC(F)F ZINC000429722394 338088490 /nfs/dbraw/zinc/08/84/90/338088490.db2.gz IHGCEFTZFMUZGI-GXTWGEPZSA-N 0 3 324.371 3.811 20 30 DHEDHN C=CC[C@@H]1N(Cc2cnnn2Cc2ccccc2)CCCC1(C)C ZINC000430079894 338095106 /nfs/dbraw/zinc/09/51/06/338095106.db2.gz STNGVUHKHFRSDN-IBGZPJMESA-N 0 3 324.472 3.893 20 30 DHEDHN C[C@]12CCN(Cc3cccc(OCCCC#N)c3)C[C@H]1C2(F)F ZINC000430093709 338096112 /nfs/dbraw/zinc/09/61/12/338096112.db2.gz GZAZUIBBWMSPCL-SJORKVTESA-N 0 3 320.383 3.846 20 30 DHEDHN Cc1nc(-c2cccnc2)sc1[C@H](C)NCC1(CC#N)CC1 ZINC000430749997 338113534 /nfs/dbraw/zinc/11/35/34/338113534.db2.gz MQSHOSQOWULRGQ-LBPRGKRZSA-N 0 3 312.442 3.858 20 30 DHEDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000432152864 338147323 /nfs/dbraw/zinc/14/73/23/338147323.db2.gz LERLOIASOMNVQA-UGSOOPFHSA-N 0 3 324.384 3.570 20 30 DHEDHN CN(C)[C@@H]1CCOc2c(NCc3ccc(C#N)s3)cccc21 ZINC000433204787 338185795 /nfs/dbraw/zinc/18/57/95/338185795.db2.gz ATIMNZWCACUWBI-MRXNPFEDSA-N 0 3 313.426 3.617 20 30 DHEDHN C[C@@H](c1ccccc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433223053 338186479 /nfs/dbraw/zinc/18/64/79/338186479.db2.gz ZULZBIRRWWGANB-QFBILLFUSA-N 0 3 306.409 3.979 20 30 DHEDHN CS[C@@H]1CCC[C@@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433340590 338193320 /nfs/dbraw/zinc/19/33/20/338193320.db2.gz FAHAMUYJERNYDN-GVDBMIGSSA-N 0 3 316.470 3.549 20 30 DHEDHN CCN(C(=O)C(C#N)CCc1ccccc1)[C@@H](C)c1cccnc1 ZINC000433351181 338193685 /nfs/dbraw/zinc/19/36/85/338193685.db2.gz FECKKNUKEZSUTK-WMZOPIPTSA-N 0 3 321.424 3.764 20 30 DHEDHN CCSCC[C@@H](C)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433375241 338194209 /nfs/dbraw/zinc/19/42/09/338194209.db2.gz XMOAETQKIXIWIN-WBVHZDCISA-N 0 3 318.486 3.749 20 30 DHEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000434383275 338215544 /nfs/dbraw/zinc/21/55/44/338215544.db2.gz KZGZGXHRPMLECB-CABCVRRESA-N 0 3 308.381 3.602 20 30 DHEDHN C[C@H](Cc1cccs1)NC(=O)C(C#N)CCc1ccccc1 ZINC000435929758 338253083 /nfs/dbraw/zinc/25/30/83/338253083.db2.gz UEMLXIXGCCYODR-GDBMZVCRSA-N 0 3 312.438 3.568 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000436304715 338267854 /nfs/dbraw/zinc/26/78/54/338267854.db2.gz YZMABWDAPHZNGU-FOGDFJRCSA-N 0 3 320.380 3.794 20 30 DHEDHN Clc1cccc(C#CCN2CCC[C@]3(CCCOC3)C2)c1 ZINC000437566579 338313638 /nfs/dbraw/zinc/31/36/38/338313638.db2.gz GEBSEGGOIXHDKE-SFHVURJKSA-N 0 3 303.833 3.584 20 30 DHEDHN OCCCN(CC#Cc1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC000438125861 338333551 /nfs/dbraw/zinc/33/35/51/338333551.db2.gz JBIBMPBIFWAIDS-NRFANRHFSA-N 0 3 323.411 3.549 20 30 DHEDHN CC(C#N)C(=O)N1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000438173868 338334840 /nfs/dbraw/zinc/33/48/40/338334840.db2.gz DCAUDSBOWPJDPI-MISXGVKJSA-N 0 3 310.319 3.775 20 30 DHEDHN C=CCOc1ccc(C(=O)Nc2ccccc2CCN(C)C)cc1 ZINC000438556774 338348002 /nfs/dbraw/zinc/34/80/02/338348002.db2.gz IIUUZBBGHBAYHL-UHFFFAOYSA-N 0 3 324.424 3.608 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2n2cccn2)c(Cl)c1 ZINC000439442260 338369639 /nfs/dbraw/zinc/36/96/39/338369639.db2.gz SDUUDKYXTRUMCN-IRXDYDNUSA-N 0 3 314.820 3.682 20 30 DHEDHN CC1(C)CN(Cc2ccc(C#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440551774 338390026 /nfs/dbraw/zinc/39/00/26/338390026.db2.gz OOGWZBQPTGLHPU-HBFSDRIKSA-N 0 3 310.441 3.728 20 30 DHEDHN CC[C@H](CNCc1ccc(C#N)c(OC)c1)Oc1cccc(C)c1 ZINC000440608698 338392240 /nfs/dbraw/zinc/39/22/40/338392240.db2.gz FBNFMNZHVOGGER-GOSISDBHSA-N 0 3 324.424 3.823 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCCc2nc3cc(Cl)ccc3s2)C1 ZINC000442813242 338433250 /nfs/dbraw/zinc/43/32/50/338433250.db2.gz GKDZHDFFRVMRQG-PWSUYJOCSA-N 0 3 305.834 3.774 20 30 DHEDHN N#C[C@H]1CC[C@H](NCc2cccc(COCC(F)(F)F)c2)C1 ZINC000442832336 338433717 /nfs/dbraw/zinc/43/37/17/338433717.db2.gz YJSCPTDWVAWLQG-WFASDCNBSA-N 0 3 312.335 3.547 20 30 DHEDHN CCCCOc1ncccc1CNC1CCC(C)(C#N)CC1 ZINC000449103974 338593749 /nfs/dbraw/zinc/59/37/49/338593749.db2.gz CTOMOXHBTWVGQH-UHFFFAOYSA-N 0 3 301.434 3.823 20 30 DHEDHN COC1(CNCc2ccc(C#N)cc2C(F)(F)F)CCCC1 ZINC000449344116 338615235 /nfs/dbraw/zinc/61/52/35/338615235.db2.gz AYTFQQALUAXLBG-UHFFFAOYSA-N 0 3 312.335 3.626 20 30 DHEDHN Cc1cc(C#N)cc(NC2CCN(CCC(F)(F)F)CC2)c1 ZINC000449761576 338650766 /nfs/dbraw/zinc/65/07/66/338650766.db2.gz YWTUDOAMGXEQCO-UHFFFAOYSA-N 0 3 311.351 3.695 20 30 DHEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1Cl)[C@@H](CO)C(C)C ZINC000451600751 338740074 /nfs/dbraw/zinc/74/00/74/338740074.db2.gz SQMNKBPQTJFGKB-DOTOQJQBSA-N 0 3 308.853 3.590 20 30 DHEDHN C[C@@H](NC[C@@H]1CCOC2(CCC2)C1)c1ccc(C#N)cc1F ZINC000453321268 338824547 /nfs/dbraw/zinc/82/45/47/338824547.db2.gz PLIIEUIKIKUKAE-UKRRQHHQSA-N 0 3 302.393 3.697 20 30 DHEDHN C=CCC[C@H](CO)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000453335989 338826880 /nfs/dbraw/zinc/82/68/80/338826880.db2.gz APQOQVYBSNFAEZ-ZIAGYGMSSA-N 0 3 303.402 3.728 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000453339627 338827366 /nfs/dbraw/zinc/82/73/66/338827366.db2.gz HJSBTHIQMIFVMP-OIISXLGYSA-N 0 3 319.445 3.868 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453375949 338834183 /nfs/dbraw/zinc/83/41/83/338834183.db2.gz XOBHLBRNCIGKLW-XFJVYGCCSA-N 0 3 319.836 3.611 20 30 DHEDHN C=CCC1(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)CCC1 ZINC000458223905 338992416 /nfs/dbraw/zinc/99/24/16/338992416.db2.gz WVWKNPGHFUGWLK-UHFFFAOYSA-N 0 3 316.445 3.620 20 30 DHEDHN C=C(CNCc1ccccc1N1CCO[C@H](C)C1)c1ccccc1 ZINC000459390173 339026544 /nfs/dbraw/zinc/02/65/44/339026544.db2.gz SDOSMGOZQLUSTR-GOSISDBHSA-N 0 3 322.452 3.715 20 30 DHEDHN C=C(C)COCCN[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459453540 339030011 /nfs/dbraw/zinc/03/00/11/339030011.db2.gz XNYHZSKCIWUDEN-KZNAEPCWSA-N 0 3 321.486 3.507 20 30 DHEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1CCC(F)(F)CC1 ZINC000459461427 339030417 /nfs/dbraw/zinc/03/04/17/339030417.db2.gz JLLUCMQBBKJWLH-UHFFFAOYSA-N 0 3 313.388 3.976 20 30 DHEDHN N#CCCC[C@@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000459482689 339031784 /nfs/dbraw/zinc/03/17/84/339031784.db2.gz DCFCNOJUFBVYFQ-QGZVFWFLSA-N 0 3 322.412 3.584 20 30 DHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459550507 339035324 /nfs/dbraw/zinc/03/53/24/339035324.db2.gz UAKOCDRWEFMOCM-PXNSSMCTSA-N 0 3 311.425 3.954 20 30 DHEDHN Cc1nn(Cc2ccccc2)c(C)c1CNCC(C)(C)CC#N ZINC000459661165 339041203 /nfs/dbraw/zinc/04/12/03/339041203.db2.gz AEYXAVUHEOPQBH-UHFFFAOYSA-N 0 3 310.445 3.578 20 30 DHEDHN CC(C)(CC#N)CNCc1ccc(OCc2ccncc2)cc1 ZINC000459686682 339043097 /nfs/dbraw/zinc/04/30/97/339043097.db2.gz GLLVRHBZPIRIBM-UHFFFAOYSA-N 0 3 309.413 3.690 20 30 DHEDHN CC(C)(CC#N)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459698620 339043450 /nfs/dbraw/zinc/04/34/50/339043450.db2.gz QOBYKFIIZWNNAY-UHFFFAOYSA-N 0 3 313.357 3.884 20 30 DHEDHN N#Cc1ccc(CNCC2(Cc3cccc(Cl)c3)CC2)o1 ZINC000459720286 339044261 /nfs/dbraw/zinc/04/42/61/339044261.db2.gz UPMWKFVKQGXJJA-UHFFFAOYSA-N 0 3 300.789 3.917 20 30 DHEDHN Cc1nc2scc(C3CC3)n2c1CNCC(C)(C)CC#N ZINC000459732077 339044969 /nfs/dbraw/zinc/04/49/69/339044969.db2.gz OKRPFQYOYBDBAG-UHFFFAOYSA-N 0 3 302.447 3.611 20 30 DHEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C12CCC2 ZINC000459797520 339049130 /nfs/dbraw/zinc/04/91/30/339049130.db2.gz WYNJLTNURIPVKY-HUUCEWRRSA-N 0 3 324.346 3.624 20 30 DHEDHN C=CC[C@@H](CO)CN[C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000462807449 339090451 /nfs/dbraw/zinc/09/04/51/339090451.db2.gz SEPOWXYGGBRMOC-QWHCGFSZSA-N 0 3 320.433 3.784 20 30 DHEDHN Cc1ccc([C@H](Cn2ccnc2)N[C@@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000463247221 339111786 /nfs/dbraw/zinc/11/17/86/339111786.db2.gz VACFDHGCROVXFP-GGPKGHCWSA-N 0 3 322.456 3.913 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)cc(F)c1)C(C)C ZINC000463818009 339126427 /nfs/dbraw/zinc/12/64/27/339126427.db2.gz NHODJKVWFPBSDD-SFHVURJKSA-N 0 3 318.436 3.563 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000464552231 339145011 /nfs/dbraw/zinc/14/50/11/339145011.db2.gz SQQJOIWCVPVQIG-KRWDZBQOSA-N 0 3 314.473 3.891 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000464649325 339147836 /nfs/dbraw/zinc/14/78/36/339147836.db2.gz QDNKZKXHULDBAE-HKUYNNGSSA-N 0 3 314.473 3.850 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000467428312 339237936 /nfs/dbraw/zinc/23/79/36/339237936.db2.gz PZIVQUAVYBHSOB-FQEVSTJZSA-N 0 3 314.473 3.891 20 30 DHEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccc2ccccc2n1 ZINC000467433544 339238381 /nfs/dbraw/zinc/23/83/81/339238381.db2.gz QTDYTVRZTQVJPX-OAHLLOKOSA-N 0 3 301.393 4.000 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000467505987 339240458 /nfs/dbraw/zinc/24/04/58/339240458.db2.gz YNBZXDXIEJYXJQ-MJGOQNOKSA-N 0 3 302.462 3.570 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000468000374 339250816 /nfs/dbraw/zinc/25/08/16/339250816.db2.gz NNFRDLMTMDQZST-QUCCMNQESA-N 0 3 314.473 3.712 20 30 DHEDHN CN(CCOc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC000468278805 339258768 /nfs/dbraw/zinc/25/87/68/339258768.db2.gz VMXMZWBJIYWLNR-UHFFFAOYSA-N 0 3 318.779 3.862 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000469477924 339290952 /nfs/dbraw/zinc/29/09/52/339290952.db2.gz LRIYDUKXJRYORM-PKOBYXMFSA-N 0 3 316.489 3.862 20 30 DHEDHN C=CCOCCCN1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000470718678 339326004 /nfs/dbraw/zinc/32/60/04/339326004.db2.gz WCMSRCLYQQDROB-MRXNPFEDSA-N 0 3 322.880 3.611 20 30 DHEDHN CC(C)(C)CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470904443 339330704 /nfs/dbraw/zinc/33/07/04/339330704.db2.gz VZONNTLLDAIUSI-QGZVFWFLSA-N 0 3 311.429 3.573 20 30 DHEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000472505861 339372889 /nfs/dbraw/zinc/37/28/89/339372889.db2.gz WFWLMUZYXLNKIY-KRWDZBQOSA-N 0 3 323.440 3.525 20 30 DHEDHN C=CCC[C@H](O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000472771598 339377283 /nfs/dbraw/zinc/37/72/83/339377283.db2.gz OBTJQMGLPKZVBN-INIZCTEOSA-N 0 3 313.363 3.997 20 30 DHEDHN C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000483938638 339678382 /nfs/dbraw/zinc/67/83/82/339678382.db2.gz JJWHCYOEZJEEEQ-KRWDZBQOSA-N 0 3 321.509 3.639 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1oc(CC)cc1C)C(C)C ZINC000486938491 339738998 /nfs/dbraw/zinc/73/89/98/339738998.db2.gz QLDITXZWKPHTGC-KRWDZBQOSA-N 0 3 318.461 3.579 20 30 DHEDHN CC(C)N(CCC#N)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496730028 340011481 /nfs/dbraw/zinc/01/14/81/340011481.db2.gz IEDZOPGETJPVCP-HOTGVXAUSA-N 0 3 323.481 3.646 20 30 DHEDHN CC#CCCNCc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000499212647 340032626 /nfs/dbraw/zinc/03/26/26/340032626.db2.gz LFQWDGFOCNJZMF-UHFFFAOYSA-N 0 3 315.335 3.529 20 30 DHEDHN C=CCN1CC[C@@H](N[C@H](c2ccccc2)C(CC)CC)C1=O ZINC000499598636 340040303 /nfs/dbraw/zinc/04/03/03/340040303.db2.gz ACCOHIPMCPKOHA-MSOLQXFVSA-N 0 3 300.446 3.540 20 30 DHEDHN COc1ccc(C#N)cc1N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000500968172 340071079 /nfs/dbraw/zinc/07/10/79/340071079.db2.gz FQTONYCTTRYSMQ-YJBOKZPZSA-N 0 3 321.424 3.814 20 30 DHEDHN N#Cc1ccc(C2=CCN(CCOc3ccc(F)cc3)CC2)cc1 ZINC000502540059 340107237 /nfs/dbraw/zinc/10/72/37/340107237.db2.gz JQXXWUNQRZEKSZ-UHFFFAOYSA-N 0 3 322.383 3.865 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc(C)c1)C(C)C ZINC000503443384 340128497 /nfs/dbraw/zinc/12/84/97/340128497.db2.gz WQLZRHJFEQYOEX-GOSISDBHSA-N 0 3 315.461 3.815 20 30 DHEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCC1CCCCC1 ZINC000507588553 340225636 /nfs/dbraw/zinc/22/56/36/340225636.db2.gz UZFNKDLKOVOWAS-INIZCTEOSA-N 0 3 319.493 3.620 20 30 DHEDHN CC[C@@H]1C[C@H](CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000507786316 340231398 /nfs/dbraw/zinc/23/13/98/340231398.db2.gz YLJZDPAHMMPSBZ-RSPOEFSDSA-N 0 3 312.457 3.963 20 30 DHEDHN N#C[C@H](c1ccccc1)N1CCN(CCC2=CCCCC2)CC1 ZINC000508586026 340247009 /nfs/dbraw/zinc/24/70/09/340247009.db2.gz DOINEZVLDMBKIE-HXUWFJFHSA-N 0 3 309.457 3.759 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCO2 ZINC000508626506 340248678 /nfs/dbraw/zinc/24/86/78/340248678.db2.gz WKXLMWNQBNVSDA-UHFFFAOYSA-N 0 3 306.409 3.905 20 30 DHEDHN Cc1cc(F)ccc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000509111137 340261611 /nfs/dbraw/zinc/26/16/11/340261611.db2.gz OKQURFOMQDTZRN-UHFFFAOYSA-N 0 3 323.415 3.718 20 30 DHEDHN CN(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCCOC1 ZINC000510113085 340289360 /nfs/dbraw/zinc/28/93/60/340289360.db2.gz OMZWQBXSQCRMMO-LJQANCHMSA-N 0 3 306.409 3.836 20 30 DHEDHN CC(C#N)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000510427401 340299148 /nfs/dbraw/zinc/29/91/48/340299148.db2.gz RFATUIJRKGAAAN-PXAZEXFGSA-N 0 3 314.335 3.524 20 30 DHEDHN C=CCCC1(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000510546529 340302382 /nfs/dbraw/zinc/30/23/82/340302382.db2.gz IUHJDOCNTJENRH-FUHWJXTLSA-N 0 3 314.473 3.849 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@@H](C)CC ZINC000303447818 340325904 /nfs/dbraw/zinc/32/59/04/340325904.db2.gz HMVHODDEXQSHTQ-LSDHHAIUSA-N 0 3 308.491 3.629 20 30 DHEDHN CC(C#N)C(=O)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000511810794 340338832 /nfs/dbraw/zinc/33/88/32/340338832.db2.gz WDATVJGJABRWEZ-HZMBPMFUSA-N 0 3 306.287 3.719 20 30 DHEDHN C[C@@H](NC[C@H](C)N1CCc2ccccc21)c1ccc(C#N)cc1F ZINC000512621161 340369376 /nfs/dbraw/zinc/36/93/76/340369376.db2.gz VCBPLFYELJSGTL-LSDHHAIUSA-N 0 3 323.415 3.799 20 30 DHEDHN C[C@H](NC[C@H]1CCOc2ccccc21)c1ccc(C#N)cc1F ZINC000512621201 340369428 /nfs/dbraw/zinc/36/94/28/340369428.db2.gz VIYIVRBPVPZZOH-DZGCQCFKSA-N 0 3 310.372 3.914 20 30 DHEDHN CC(C)[C@@H]1OCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512636057 340370286 /nfs/dbraw/zinc/37/02/86/340370286.db2.gz JOVUPMICKHJDNH-JOQOYGCGSA-N 0 3 304.409 3.799 20 30 DHEDHN C[C@H](NCCCN(C)c1ccccc1)c1ccc(C#N)cc1F ZINC000512643048 340370653 /nfs/dbraw/zinc/37/06/53/340370653.db2.gz VCHURQSXMKSBCP-HNNXBMFYSA-N 0 3 311.404 3.874 20 30 DHEDHN C[C@H](N[C@@H]1CCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512655074 340371292 /nfs/dbraw/zinc/37/12/92/340371292.db2.gz RJBRIBGMCJBUIJ-GOEBONIOSA-N 0 3 309.388 3.627 20 30 DHEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2CCC(C)C)CC1 ZINC000178172490 340447442 /nfs/dbraw/zinc/44/74/42/340447442.db2.gz HPNVTWGOTUEHAP-SFHVURJKSA-N 0 3 321.509 3.637 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000186177684 340509080 /nfs/dbraw/zinc/50/90/80/340509080.db2.gz VNBHYXXQOQPDNS-HOTGVXAUSA-N 0 3 302.462 3.834 20 30 DHEDHN CCS[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1OC ZINC000190026678 340542108 /nfs/dbraw/zinc/54/21/08/340542108.db2.gz PKBJXMNEEKIITD-NVXWUHKLSA-N 0 3 304.459 3.721 20 30 DHEDHN CCS[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1OC ZINC000190048902 340542367 /nfs/dbraw/zinc/54/23/67/340542367.db2.gz ALKAKOMHQWIUNC-WBVHZDCISA-N 0 3 304.459 3.721 20 30 DHEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000192160281 340563610 /nfs/dbraw/zinc/56/36/10/340563610.db2.gz MIDLRAOGGAAUGB-QGZVFWFLSA-N 0 3 301.393 3.575 20 30 DHEDHN CC(C)Cc1ccccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000530235890 340783402 /nfs/dbraw/zinc/78/34/02/340783402.db2.gz LDKHBTRSABQJOD-FQEVSTJZSA-N 0 3 308.425 3.580 20 30 DHEDHN Cc1cc([C@H](C)NCCOc2ccc(C#N)cc2)c(C)s1 ZINC000539086567 340872073 /nfs/dbraw/zinc/87/20/73/340872073.db2.gz BLNIHQYWVOWFEI-ZDUSSCGKSA-N 0 3 300.427 3.966 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@@H](C)CC ZINC000539363029 340882444 /nfs/dbraw/zinc/88/24/44/340882444.db2.gz ZGFVSGGQDMTDJZ-KBPBESRZSA-N 0 3 306.475 3.927 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC)C(C)(C)c1ccccc1 ZINC000539423824 340885063 /nfs/dbraw/zinc/88/50/63/340885063.db2.gz KKRHMAUFRFPSCH-SFHVURJKSA-N 0 3 314.473 3.533 20 30 DHEDHN CN(CCOc1ccccc1Cl)Cc1ccc(CC#N)cc1 ZINC000542208410 341000082 /nfs/dbraw/zinc/00/00/82/341000082.db2.gz BSWZVXYYRGJVMM-UHFFFAOYSA-N 0 3 314.816 3.917 20 30 DHEDHN N#Cc1ccc(CN(CCOc2ccc(F)cc2)C2CC2)cc1 ZINC000544188777 341073787 /nfs/dbraw/zinc/07/37/87/341073787.db2.gz ASJUDJBQSMJLHE-UHFFFAOYSA-N 0 3 310.372 3.741 20 30 DHEDHN OCC[C@H](NCC#Cc1ccccc1Cl)C1CCCCC1 ZINC000544894558 341097723 /nfs/dbraw/zinc/09/77/23/341097723.db2.gz YWCSEJRSJJJTII-SFHVURJKSA-N 0 3 305.849 3.612 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000544895870 341097857 /nfs/dbraw/zinc/09/78/57/341097857.db2.gz UJSHZWXJNRDMEY-DLBZAZTESA-N 0 3 300.446 3.543 20 30 DHEDHN C[C@H](NCc1ccc(-n2cccn2)cc1)c1ccc(C#N)cc1 ZINC000075755612 341182024 /nfs/dbraw/zinc/18/20/24/341182024.db2.gz KAJXDYNTGGKNRL-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1c(C)cccc1C ZINC000546935185 341187478 /nfs/dbraw/zinc/18/74/78/341187478.db2.gz DTDZUCUYWFGLHC-SJORKVTESA-N 0 3 302.462 3.767 20 30 DHEDHN CO[C@@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000076345524 341205901 /nfs/dbraw/zinc/20/59/01/341205901.db2.gz ACIGMSMLXFVUGX-LJQANCHMSA-N 0 3 306.409 3.836 20 30 DHEDHN C[C@@H](CNCc1cccc(C#N)c1)Oc1cccc(Cl)c1 ZINC000237372155 341212585 /nfs/dbraw/zinc/21/25/85/341212585.db2.gz GWPGHECYDXXSLE-ZDUSSCGKSA-N 0 3 300.789 3.769 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCN(c3cccc(Cl)c3)C2)cc1 ZINC000080342066 341273034 /nfs/dbraw/zinc/27/30/34/341273034.db2.gz YZJCXLVDYGIMCG-KRWDZBQOSA-N 0 3 311.816 3.580 20 30 DHEDHN C=CCNC(=O)CN[C@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC000548939113 341281819 /nfs/dbraw/zinc/28/18/19/341281819.db2.gz ZEJPXQACYIOBIQ-SFHVURJKSA-N 0 3 302.462 3.573 20 30 DHEDHN C=CCCN[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549039908 341284447 /nfs/dbraw/zinc/28/44/47/341284447.db2.gz KSZQTGYHQWETJL-DOTOQJQBSA-N 0 3 324.827 3.695 20 30 DHEDHN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000081574233 341297319 /nfs/dbraw/zinc/29/73/19/341297319.db2.gz DQOJNZAKIGAMKA-YWZLYKJASA-N 0 3 319.408 3.580 20 30 DHEDHN Cc1cc(Cl)cc(CNCCOc2ccc(C#N)cc2)c1 ZINC000549760775 341302389 /nfs/dbraw/zinc/30/23/89/341302389.db2.gz CBHJNFKMMZHPNE-UHFFFAOYSA-N 0 3 300.789 3.689 20 30 DHEDHN CCC[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000549929486 341307135 /nfs/dbraw/zinc/30/71/35/341307135.db2.gz COICWOYMCSAAHM-XUVXKRRUSA-N 0 3 311.473 3.665 20 30 DHEDHN COc1cc(Br)ccc1[C@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000549996727 341308167 /nfs/dbraw/zinc/30/81/67/341308167.db2.gz JLOBOAGNQITZCO-GMXVVIOVSA-N 0 3 323.234 3.801 20 30 DHEDHN C=CCOc1ccccc1CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245919368 341318273 /nfs/dbraw/zinc/31/82/73/341318273.db2.gz QMUYCLKYBNYIMQ-KBAYOESNSA-N 0 3 301.430 3.545 20 30 DHEDHN CCc1ccc([C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000564381047 341347528 /nfs/dbraw/zinc/34/75/28/341347528.db2.gz QCZZJLMKOIHFCT-IBGZPJMESA-N 0 3 307.441 3.839 20 30 DHEDHN C=CCOc1ccc(CN2CCC(OC(C)C)CC2)cc1OC ZINC000551996547 341358484 /nfs/dbraw/zinc/35/84/84/341358484.db2.gz HLPKLIRWBGEMQE-UHFFFAOYSA-N 0 3 319.445 3.649 20 30 DHEDHN C=CCC[C@@H](NC[C@H](CO)Cc1ccc(F)cc1)c1ccco1 ZINC000552046744 341364836 /nfs/dbraw/zinc/36/48/36/341364836.db2.gz QFGXRAYLRSCKKU-SJLPKXTDSA-N 0 3 317.404 3.867 20 30 DHEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC#Cc1ccccc1 ZINC000552057432 341365797 /nfs/dbraw/zinc/36/57/97/341365797.db2.gz ULUBVVCGZGVSRK-FDFHNCONSA-N 0 3 319.448 3.979 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000249097670 341393813 /nfs/dbraw/zinc/39/38/13/341393813.db2.gz OSBHQJFDDHTHQD-ILZDJORESA-N 0 3 314.473 3.758 20 30 DHEDHN CCOc1cccc([C@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000090107549 341413570 /nfs/dbraw/zinc/41/35/70/341413570.db2.gz DYZMBLPGSIJRFH-HNNXBMFYSA-N 0 3 310.397 3.687 20 30 DHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000156162115 341617727 /nfs/dbraw/zinc/61/77/27/341617727.db2.gz MAHQXGUUCHWXTR-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN N#CCCC1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000567791234 341633523 /nfs/dbraw/zinc/63/35/23/341633523.db2.gz LBHDWOFUHAGGGL-UHFFFAOYSA-N 0 3 324.428 3.685 20 30 DHEDHN CC[C@H](CNCc1ccc(C#N)s1)Oc1cccc(F)c1 ZINC000175799592 341846843 /nfs/dbraw/zinc/84/68/43/341846843.db2.gz GMPYZRUUHBTBIT-CYBMUJFWSA-N 0 3 304.390 3.706 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2cc(Br)ccc2o1 ZINC000580572464 341879191 /nfs/dbraw/zinc/87/91/91/341879191.db2.gz XJBQIFXZAYQXLB-KGLIPLIRSA-N 0 3 322.202 3.628 20 30 DHEDHN C[C@H](CNCc1ccc(C#N)s1)Oc1ccccc1Cl ZINC000176978127 341909058 /nfs/dbraw/zinc/90/90/58/341909058.db2.gz BPWFIVLGDKKCRO-LLVKDONJSA-N 0 3 306.818 3.830 20 30 DHEDHN CC[C@H](CNCc1ccc(C#N)s1)Oc1ccccc1F ZINC000176990289 341909790 /nfs/dbraw/zinc/90/97/90/341909790.db2.gz FIRKUWYRRKRTAE-GFCCVEGCSA-N 0 3 304.390 3.706 20 30 DHEDHN CCc1ccc([C@H](CNCc2cc(C#N)cs2)N(C)C)cc1 ZINC000177680156 341923408 /nfs/dbraw/zinc/92/34/08/341923408.db2.gz ZMOPVQBEWAZREP-SFHVURJKSA-N 0 3 313.470 3.575 20 30 DHEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000320275903 517328871 /nfs/dbraw/zinc/32/88/71/517328871.db2.gz MZXPUDAHJGZWOD-PWSUYJOCSA-N 0 3 316.214 3.566 20 30 DHEDHN COC(=O)CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000181941482 523113441 /nfs/dbraw/zinc/11/34/41/523113441.db2.gz QBZHGFQIRYPUOQ-HNAYVOBHSA-N 0 3 322.408 3.903 20 30 DHEDHN COCCCOc1cccc(CN(C)Cc2ccc(C#N)cc2)c1 ZINC000131207201 523416155 /nfs/dbraw/zinc/41/61/55/523416155.db2.gz FZLIDAMWXQIVAP-UHFFFAOYSA-N 0 3 324.424 3.606 20 30 DHEDHN Cc1cc(Cl)c2ncc(C#N)c(NCCN(C)C3CC3)c2c1 ZINC000338483300 524851665 /nfs/dbraw/zinc/85/16/65/524851665.db2.gz CKDIMKBUAYHRMJ-UHFFFAOYSA-N 0 3 314.820 3.574 20 30 DHEDHN Cc1ccccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000237537163 525267121 /nfs/dbraw/zinc/26/71/21/525267121.db2.gz PAUSSJLKNQPUKW-UHFFFAOYSA-N 0 3 305.425 3.943 20 30 DHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC000268987653 525534889 /nfs/dbraw/zinc/53/48/89/525534889.db2.gz QKPZSMBTMPQOEN-OKHZJLECSA-N 0 3 312.438 3.707 20 30 DHEDHN C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1CO)c1cccc(C#N)c1 ZINC000365106018 525593744 /nfs/dbraw/zinc/59/37/44/525593744.db2.gz SIZUQIZAEWUUIF-QMIHWGKISA-N 0 3 306.409 3.505 20 30 DHEDHN COc1cccc(CN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104963443 525933049 /nfs/dbraw/zinc/93/30/49/525933049.db2.gz LLLRLWLAZRSPQZ-UHFFFAOYSA-N 0 3 322.408 3.610 20 30 DHEDHN Cc1cncc([C@H](C)NCCSCc2ccccc2C#N)c1 ZINC000184311313 526215775 /nfs/dbraw/zinc/21/57/75/526215775.db2.gz MCPXFEIYCAALAE-HNNXBMFYSA-N 0 3 311.454 3.846 20 30 DHEDHN N#Cc1ccc(OCCN[C@@H]2CCSc3ccccc32)cc1 ZINC000156163891 526676507 /nfs/dbraw/zinc/67/65/07/526676507.db2.gz OATSWWYFFDAAQC-QGZVFWFLSA-N 0 3 310.422 3.764 20 30 DHEDHN N#Cc1cccc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000182111435 526709607 /nfs/dbraw/zinc/70/96/07/526709607.db2.gz IRLGZKPJVDRLAV-ZWKOTPCHSA-N 0 3 312.800 3.831 20 30 DHEDHN C=CCN(Cc1ccccc1)c1cc(N2CCCC2)nc(C)n1 ZINC001167125993 1013237499 /nfs/dbraw/zinc/23/74/99/1013237499.db2.gz GGNPCXMPZSKJDI-UHFFFAOYSA-N 0 3 308.429 3.578 20 30 DHEDHN CCOc1ccc(CN(C)Cc2ccc(OC)c(C#N)c2)cc1 ZINC000340157887 1013373953 /nfs/dbraw/zinc/37/39/53/1013373953.db2.gz IBWRRRNCOTUVQX-UHFFFAOYSA-N 0 3 310.397 3.598 20 30 DHEDHN N#Cc1cc(CN(CCO)[C@H]2CCCc3ccccc32)ccc1F ZINC000120848123 1013528511 /nfs/dbraw/zinc/52/85/11/1013528511.db2.gz VLNJGGRXHBEMGZ-FQEVSTJZSA-N 0 3 324.399 3.569 20 30 DHEDHN C#C[C@@H](NC1CC(C(F)F)C1)c1ccc(Br)cc1 ZINC000894869766 1013571021 /nfs/dbraw/zinc/57/10/21/1013571021.db2.gz DDPIGBMFZPSMGB-KGPNIALWSA-N 0 3 314.173 3.757 20 30 DHEDHN C=CCOc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000441365841 1013725502 /nfs/dbraw/zinc/72/55/02/1013725502.db2.gz CAVOWOFWMHWWEV-OAQYLSRUSA-N 0 3 323.436 3.565 20 30 DHEDHN CCC[C@@H](C)N(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000048071091 1014368489 /nfs/dbraw/zinc/36/84/89/1014368489.db2.gz YCNNWWQKJYALSX-QGZVFWFLSA-N 0 3 315.461 3.671 20 30 DHEDHN COc1ccccc1CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001203438612 1014435944 /nfs/dbraw/zinc/43/59/44/1014435944.db2.gz MHHDUESMMXZALI-LJQANCHMSA-N 0 3 322.408 3.610 20 30 DHEDHN C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])C(C)C ZINC000783499142 1014541542 /nfs/dbraw/zinc/54/15/42/1014541542.db2.gz LTJHDCWNQLNECP-WMZOPIPTSA-N 0 3 302.462 3.741 20 30 DHEDHN CC(C)N(CCOc1ccc(C#N)cc1)Cc1ccccc1F ZINC000521195568 1014664479 /nfs/dbraw/zinc/66/44/79/1014664479.db2.gz IASZCIBBRHOVKI-UHFFFAOYSA-N 0 3 312.388 3.987 20 30 DHEDHN COc1cc(CN(Cc2ccc(C#N)cc2)C(C)C)ccc1C#N ZINC000442799602 1014738073 /nfs/dbraw/zinc/73/80/73/1014738073.db2.gz KKBLCGGZMFJUQL-UHFFFAOYSA-N 0 3 319.408 3.849 20 30 DHEDHN C=CCCN(C)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000276164655 1014767498 /nfs/dbraw/zinc/76/74/98/1014767498.db2.gz RNEMMVAECCQZPR-UHFFFAOYSA-N 0 3 312.413 3.677 20 30 DHEDHN COc1cc(CN(C)Cc2cc(C)c(OC)c(C)c2)ccc1C#N ZINC000442886449 1014763065 /nfs/dbraw/zinc/76/30/65/1014763065.db2.gz RQJHVXGFIKDQML-UHFFFAOYSA-N 0 3 324.424 3.824 20 30 DHEDHN C=CCN(CC=C)C(=O)CN(CC)[C@@H](CC)c1ccccc1 ZINC000521823862 1014811767 /nfs/dbraw/zinc/81/17/67/1014811767.db2.gz RDODIRXIWWQSRV-SFHVURJKSA-N 0 3 300.446 3.660 20 30 DHEDHN N#CC(C(=O)c1nccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000113650913 1014880196 /nfs/dbraw/zinc/88/01/96/1014880196.db2.gz REBXSJIRPOLTKB-CQSZACIVSA-N 0 3 312.332 3.601 20 30 DHEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC2(C1)CCCCC2 ZINC000324004992 1015098891 /nfs/dbraw/zinc/09/88/91/1015098891.db2.gz JXFGPGADFOCZHA-HNNXBMFYSA-N 0 3 311.429 3.541 20 30 DHEDHN N#CCc1cccc2c1CCN(Cc1cccc3c1NCCC3)C2 ZINC000895413373 1015140165 /nfs/dbraw/zinc/14/01/65/1015140165.db2.gz AKYRFOQOFQAWNL-UHFFFAOYSA-N 0 3 317.436 3.669 20 30 DHEDHN C=CCOc1ccccc1CNc1ccc([C@H]2CNCCO2)cc1 ZINC000656792826 1015163395 /nfs/dbraw/zinc/16/33/95/1015163395.db2.gz YNESPOOZDFRNNW-HXUWFJFHSA-N 0 3 324.424 3.524 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](CC)c1cccc(Cl)c1 ZINC000341295575 1015172752 /nfs/dbraw/zinc/17/27/52/1015172752.db2.gz QROGUOZJTDBBKP-RHSMWYFYSA-N 0 3 320.864 3.970 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1cccc(C#N)c1 ZINC000178179670 1015404742 /nfs/dbraw/zinc/40/47/42/1015404742.db2.gz CQHKCLFHVBCCAB-LSDHHAIUSA-N 0 3 317.396 3.551 20 30 DHEDHN Cc1cc(N(CCC#N)C(=O)CN(C)C(C)(C)C)ccc1Cl ZINC000581882546 1015423456 /nfs/dbraw/zinc/42/34/56/1015423456.db2.gz AMIADIIEOFPFKU-UHFFFAOYSA-N 0 3 321.852 3.625 20 30 DHEDHN C=CC[C@H](C)[C@@H](C)N[C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276791510 1015654615 /nfs/dbraw/zinc/65/46/15/1015654615.db2.gz SVVUCYDITVLCFV-BFHYXJOUSA-N 0 3 315.417 3.997 20 30 DHEDHN CCN(CCCOc1cccc(C#N)c1)CCC(F)(F)F ZINC000610786294 1015786171 /nfs/dbraw/zinc/78/61/71/1015786171.db2.gz UKKHESIQNSRVDW-UHFFFAOYSA-N 0 3 300.324 3.601 20 30 DHEDHN CC(C)CO[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000610946949 1015959007 /nfs/dbraw/zinc/95/90/07/1015959007.db2.gz MUNRJXZAHFVIBG-SJORKVTESA-N 0 3 304.409 3.627 20 30 DHEDHN Cc1ccccc1O[C@H]1CCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000121706124 1016144457 /nfs/dbraw/zinc/14/44/57/1016144457.db2.gz MPSDEGKTEOWXIM-HKUYNNGSSA-N 0 3 310.397 3.940 20 30 DHEDHN Cc1cc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)c(C)[nH]1 ZINC000684675783 1016170857 /nfs/dbraw/zinc/17/08/57/1016170857.db2.gz OPINWEOPKNSGIO-GFCCVEGCSA-N 0 3 301.415 3.876 20 30 DHEDHN C=C[C@@H](CC)CC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000934194338 1016208838 /nfs/dbraw/zinc/20/88/38/1016208838.db2.gz CQWUOEALJJRHBA-KRWDZBQOSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCCn1cc(CNCC(C)(C)c2ccc(Cl)cc2)nn1 ZINC000657324842 1016338911 /nfs/dbraw/zinc/33/89/11/1016338911.db2.gz YTYCAXAAOVGTFZ-UHFFFAOYSA-N 0 3 318.852 3.575 20 30 DHEDHN CC(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000611624385 1016949761 /nfs/dbraw/zinc/94/97/61/1016949761.db2.gz JETAACFZJIYEND-KGLIPLIRSA-N 0 3 307.397 3.928 20 30 DHEDHN COc1cc(C)c(CN(C)Cc2ccc(C#N)cc2C)cc1OC ZINC000186160711 1017021905 /nfs/dbraw/zinc/02/19/05/1017021905.db2.gz ZFARIXLOUOYCOX-UHFFFAOYSA-N 0 3 324.424 3.824 20 30 DHEDHN C=CCOc1cccc(CN2CCC(O)(c3ccccc3)CC2)c1 ZINC000185636683 1017067496 /nfs/dbraw/zinc/06/74/96/1017067496.db2.gz NYFSPPUWKXLWIA-UHFFFAOYSA-N 0 3 323.436 3.735 20 30 DHEDHN CCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618742312 1032191412 /nfs/dbraw/zinc/19/14/12/1032191412.db2.gz MJUWHQCDAUSXDH-SFHVURJKSA-N 0 3 310.372 3.873 20 30 DHEDHN COc1ccc(Cl)c2c1C[C@@H](NCC1(C#N)CCCC1)CC2 ZINC001171284444 1032243533 /nfs/dbraw/zinc/24/35/33/1032243533.db2.gz MXENLVXCQPDLLY-ZDUSSCGKSA-N 0 3 318.848 3.879 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCCC)C2CCC2)CC1 ZINC000119947719 1032332342 /nfs/dbraw/zinc/33/23/42/1032332342.db2.gz SXPLKTOHJWFCLY-GOSISDBHSA-N 0 3 321.509 3.685 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cnccc2C)c1 ZINC000772983082 1032336438 /nfs/dbraw/zinc/33/64/38/1032336438.db2.gz JCMVTKURJJXEER-WBVHZDCISA-N 0 3 309.413 3.922 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1ccc([S@@](C)=O)cc1 ZINC000092505712 1032502277 /nfs/dbraw/zinc/50/22/77/1032502277.db2.gz FQUVIUOSVSSPIU-QFIPXVFZSA-N 0 3 313.466 3.655 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@H]2C[C@@H](C)O)cc1Cl ZINC000093482109 1032541128 /nfs/dbraw/zinc/54/11/28/1032541128.db2.gz QNPDKXYSUVCKBP-UKRRQHHQSA-N 0 3 309.837 3.640 20 30 DHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2cn[nH]c2)cc1 ZINC000773104647 1032559483 /nfs/dbraw/zinc/55/94/83/1032559483.db2.gz FPPJMBNRMVXJLU-QWHCGFSZSA-N 0 3 305.809 3.953 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000424195464 1011939967 /nfs/dbraw/zinc/93/99/67/1011939967.db2.gz DKMOCOCUBGGLAO-WDEREUQCSA-N 0 3 319.380 3.870 20 30 DHEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000301313388 1012070106 /nfs/dbraw/zinc/07/01/06/1012070106.db2.gz DJSPQFURNIWOPP-HXUWFJFHSA-N 0 3 323.436 3.767 20 30 DHEDHN CC[C@@H](C)N[C@@H](CNc1ncc2c(c1C#N)CCC2)c1ccco1 ZINC000425257321 1012381120 /nfs/dbraw/zinc/38/11/20/1012381120.db2.gz TXZBUVAQAYWALM-DYVFJYSZSA-N 0 3 324.428 3.576 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC(C)(C)C ZINC000533416272 1012661073 /nfs/dbraw/zinc/66/10/73/1012661073.db2.gz RVTOVPCJVGPUBU-CQSZACIVSA-N 0 3 308.491 3.629 20 30 DHEDHN C[C@@H](CCC#N)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425506740 1012711964 /nfs/dbraw/zinc/71/19/64/1012711964.db2.gz LPBNACHLKZHZQV-ZDUSSCGKSA-N 0 3 303.475 3.894 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](c2ncccc2C)C(C)C)cc1 ZINC000115622417 1032680356 /nfs/dbraw/zinc/68/03/56/1032680356.db2.gz ITGIKFHZTXGFBC-LJQANCHMSA-N 0 3 308.425 3.889 20 30 DHEDHN CN(C)[C@@H](CNc1cc(Cl)ccc1C#N)c1ccsc1 ZINC000346425311 1017162637 /nfs/dbraw/zinc/16/26/37/1017162637.db2.gz YNULCZASMFJARS-HNNXBMFYSA-N 0 3 305.834 3.988 20 30 DHEDHN C=CCCC[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000179767215 1017300634 /nfs/dbraw/zinc/30/06/34/1017300634.db2.gz HQAIUKSUPSNRKI-MRXNPFEDSA-N 0 3 300.446 3.757 20 30 DHEDHN Cn1cc(CN2CCC(c3cccc(Cl)c3)CC2)cc1C#N ZINC000475573217 1017448500 /nfs/dbraw/zinc/44/85/00/1017448500.db2.gz KWVQEMBMYHMQHR-UHFFFAOYSA-N 0 3 313.832 3.930 20 30 DHEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc(-n2cccn2)cc1 ZINC000180823567 1017510687 /nfs/dbraw/zinc/51/06/87/1017510687.db2.gz ATHSOXHHRSHHQO-INIZCTEOSA-N 0 3 319.383 3.714 20 30 DHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC2(C1)CCCCC2 ZINC000324004995 1017560625 /nfs/dbraw/zinc/56/06/25/1017560625.db2.gz JXFGPGADFOCZHA-OAHLLOKOSA-N 0 3 311.429 3.541 20 30 DHEDHN CCC(CC)N(CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000523224822 1017573527 /nfs/dbraw/zinc/57/35/27/1017573527.db2.gz XUHRPBHZOZRBJM-UHFFFAOYSA-N 0 3 313.445 3.586 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC000897330090 1017677668 /nfs/dbraw/zinc/67/76/68/1017677668.db2.gz FOHXXNGSVSBYOU-FZMZJTMJSA-N 0 3 314.351 3.657 20 30 DHEDHN C=CC[C@H]1CCN(Cc2nc3ccc(Br)cc3o2)C1 ZINC000625704652 1017785299 /nfs/dbraw/zinc/78/52/99/1017785299.db2.gz ZKEKSNJSCGAGSL-NSHDSACASA-N 0 3 321.218 3.988 20 30 DHEDHN N#CCCN(C1CCCC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171488429 1032729725 /nfs/dbraw/zinc/72/97/25/1032729725.db2.gz NKZDUSRKGQFYOE-MRXNPFEDSA-N 0 3 304.384 3.980 20 30 DHEDHN C=CCC1(NCc2ncc(Br)s2)CCCC1 ZINC000657701834 1017860821 /nfs/dbraw/zinc/86/08/21/1017860821.db2.gz CCLHROGDWXKWIM-UHFFFAOYSA-N 0 3 301.253 3.884 20 30 DHEDHN C#CC[C@@H]1CCCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001171491506 1032732544 /nfs/dbraw/zinc/73/25/44/1032732544.db2.gz VNAUSSPIWYXIIB-MLGOLLRUSA-N 0 3 312.240 3.762 20 30 DHEDHN C=C(CNCc1cnn(-c2ccc(F)cc2)c1)c1ccccc1 ZINC000343004079 1017976105 /nfs/dbraw/zinc/97/61/05/1017976105.db2.gz VTNGOGLYBFZKMC-UHFFFAOYSA-N 0 3 307.372 3.814 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000154326318 1018145559 /nfs/dbraw/zinc/14/55/59/1018145559.db2.gz JPEOZOZXZHTVHN-JKSUJKDBSA-N 0 3 304.393 3.982 20 30 DHEDHN CN(C)/C=N/c1ccc(NCCOC2CCCCC2)cc1C#N ZINC001171479835 1032750805 /nfs/dbraw/zinc/75/08/05/1032750805.db2.gz QQESPLRYIJHISO-KGENOOAVSA-N 0 3 314.433 3.541 20 30 DHEDHN C=CC[C@@H]1N(Cc2ccc([S@@](C)=O)cc2)CCCC1(C)C ZINC000446827467 1018261967 /nfs/dbraw/zinc/26/19/67/1018261967.db2.gz ONBHKXHRSCEQPN-LAUBAEHRSA-N 0 3 305.487 3.991 20 30 DHEDHN C[C@H](NCc1cccc(Cn2cccn2)c1)c1ccc(C#N)cc1 ZINC000173982254 1018377505 /nfs/dbraw/zinc/37/75/05/1018377505.db2.gz UGTKCUPDAMYKEX-INIZCTEOSA-N 0 3 316.408 3.654 20 30 DHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000174211197 1018398374 /nfs/dbraw/zinc/39/83/74/1018398374.db2.gz GNKAMPYWGUYAQS-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000174211186 1018399454 /nfs/dbraw/zinc/39/94/54/1018399454.db2.gz GNKAMPYWGUYAQS-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN CC[C@H](N[C@@H](CO)c1sccc1C)c1ccc(C#N)cc1 ZINC000447585349 1018429324 /nfs/dbraw/zinc/42/93/24/1018429324.db2.gz JSPYIABFDZTVEM-HOTGVXAUSA-N 0 3 300.427 3.703 20 30 DHEDHN N#CC1(c2ccccc2)CCC(NCc2ncccc2F)CC1 ZINC000525998451 1018435532 /nfs/dbraw/zinc/43/55/32/1018435532.db2.gz JPQMIGCUKMNFMU-UHFFFAOYSA-N 0 3 309.388 3.714 20 30 DHEDHN CCC(O)(CC)CN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000626110932 1018655052 /nfs/dbraw/zinc/65/50/52/1018655052.db2.gz XCUFHKMSEDEAJU-UHFFFAOYSA-N 0 3 313.363 3.540 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccc(OC)cc2C)cc1 ZINC000765263902 1018734503 /nfs/dbraw/zinc/73/45/03/1018734503.db2.gz ZEABERBRJGCCMC-UHFFFAOYSA-N 0 3 309.409 3.696 20 30 DHEDHN Cc1cnccc1OC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000278593512 1018897146 /nfs/dbraw/zinc/89/71/46/1018897146.db2.gz LHWMBFMOCVTPBF-INIZCTEOSA-N 0 3 321.424 3.866 20 30 DHEDHN N#Cc1cc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)cs1 ZINC000921818451 1018901120 /nfs/dbraw/zinc/90/11/20/1018901120.db2.gz UHGXFBNUKUQSIK-CQSZACIVSA-N 0 3 317.845 3.642 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cnn(C(C)C)c2)cc1 ZINC000765945597 1018952073 /nfs/dbraw/zinc/95/20/73/1018952073.db2.gz KDHHWSHSHDXAHR-CVEARBPZSA-N 0 3 311.429 3.888 20 30 DHEDHN N#CC(C(=O)C=CC1CCCCC1)c1cnc2ccccc2n1 ZINC000588587833 1018964378 /nfs/dbraw/zinc/96/43/78/1018964378.db2.gz SVQMWBWIHPVYFZ-JQPIKURYSA-N 0 3 305.381 3.943 20 30 DHEDHN C[C@@H](NCc1ccc(-c2cc[nH]n2)cc1)c1ccc(C#N)cc1 ZINC000368474031 1018996169 /nfs/dbraw/zinc/99/61/69/1018996169.db2.gz ALDOFHBDQMWGBK-CQSZACIVSA-N 0 3 302.381 3.799 20 30 DHEDHN CC[C@H](C(=O)C(C#N)c1nc(C(C)C)cs1)N(CC)CC ZINC000765964821 1019272909 /nfs/dbraw/zinc/27/29/09/1019272909.db2.gz OVNYWXJGYGRXHK-TZMCWYRMSA-N 0 3 307.463 3.563 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(N(C)C)c(F)c1 ZINC000921624557 1019293506 /nfs/dbraw/zinc/29/35/06/1019293506.db2.gz UTNLUYXFOIVPQA-UHFFFAOYSA-N 0 3 311.404 3.670 20 30 DHEDHN C[C@H]1Cc2cc(CN[C@@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000922072667 1019401932 /nfs/dbraw/zinc/40/19/32/1019401932.db2.gz MYJXRZFEQBHWNN-ORAYPTAESA-N 0 3 304.393 3.659 20 30 DHEDHN CC[C@@H](CN1CCCC1)Nc1ccc(C#N)cc1Br ZINC000611182228 1019408726 /nfs/dbraw/zinc/40/87/26/1019408726.db2.gz ULKAVXWQYLVTJS-ZDUSSCGKSA-N 0 3 322.250 3.607 20 30 DHEDHN CN(Cc1ccc(C#N)o1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266812 1019427552 /nfs/dbraw/zinc/42/75/52/1019427552.db2.gz PKJCIYNSLYLIDM-QFBILLFUSA-N 0 3 310.397 3.751 20 30 DHEDHN CN(Cc1ccc(C#N)o1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266813 1019428961 /nfs/dbraw/zinc/42/89/61/1019428961.db2.gz PKJCIYNSLYLIDM-VQIMIIECSA-N 0 3 310.397 3.751 20 30 DHEDHN CN(CCOC(C)(C)C)Cc1cccc(OCCCC#N)c1 ZINC000611274764 1019432446 /nfs/dbraw/zinc/43/24/46/1019432446.db2.gz YQMVPPKHJLHCOD-UHFFFAOYSA-N 0 3 304.434 3.616 20 30 DHEDHN CSc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000611393294 1019468901 /nfs/dbraw/zinc/46/89/01/1019468901.db2.gz BQQDPSNKWFZDLU-KRWDZBQOSA-N 0 3 309.438 3.842 20 30 DHEDHN CCc1nn(C)cc1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000611410788 1019476499 /nfs/dbraw/zinc/47/64/99/1019476499.db2.gz IKBJDHQTKHPSCA-UHFFFAOYSA-N 0 3 310.445 3.512 20 30 DHEDHN COc1ccc(CN(C)Cc2ccc(C#N)cc2)c(C)c1OC ZINC000347598782 1019763541 /nfs/dbraw/zinc/76/35/41/1019763541.db2.gz XTDMFCBOEFUBTG-UHFFFAOYSA-N 0 3 310.397 3.516 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnn(C2CCC2)c1 ZINC000922192011 1019821793 /nfs/dbraw/zinc/82/17/93/1019821793.db2.gz ZNZGZYVAUSMUGU-LJQANCHMSA-N 0 3 306.413 3.647 20 30 DHEDHN CCCSCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730421494 1019984846 /nfs/dbraw/zinc/98/48/46/1019984846.db2.gz LCFSTUHQRDNLEQ-SNVBAGLBSA-N 0 3 308.403 3.755 20 30 DHEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001171763681 1032870067 /nfs/dbraw/zinc/87/00/67/1032870067.db2.gz DPWAMESEJKMKHG-CYBMUJFWSA-N 0 3 314.857 3.651 20 30 DHEDHN N#Cc1ccc(CNC[C@@H](O)c2ccc3ccccc3c2)s1 ZINC000176966256 1020120803 /nfs/dbraw/zinc/12/08/03/1020120803.db2.gz ODLHWIIRMNIJHV-GOSISDBHSA-N 0 3 308.406 3.596 20 30 DHEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647371728 1020216348 /nfs/dbraw/zinc/21/63/48/1020216348.db2.gz XOEKBXMOCNZRGP-CQSZACIVSA-N 0 3 312.394 3.909 20 30 DHEDHN COc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)c(C)c1 ZINC000647378035 1020258885 /nfs/dbraw/zinc/25/88/85/1020258885.db2.gz KUSSAJGCRHSDGM-AWEZNQCLSA-N 0 3 312.394 3.828 20 30 DHEDHN C=C(Cl)COc1ccc([C@H](C)NCc2cc(CC)[nH]n2)cc1 ZINC000766003954 1020334318 /nfs/dbraw/zinc/33/43/18/1020334318.db2.gz QOLFGWRLMWNWCN-ZDUSSCGKSA-N 0 3 319.836 3.954 20 30 DHEDHN CCN(Cc1cccc(C(=O)OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125769981 1020346971 /nfs/dbraw/zinc/34/69/71/1020346971.db2.gz IWSIVDQXIPCTEY-HNNXBMFYSA-N 0 3 322.408 3.928 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\CC2CCSCC2)c([O-])c1 ZINC000733205256 1020346824 /nfs/dbraw/zinc/34/68/24/1020346824.db2.gz OXYPKGQNWHZAFJ-AQTBWJFISA-N 0 3 306.475 3.801 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](CC)c2ccccc2OC)cc1 ZINC000733324196 1020372400 /nfs/dbraw/zinc/37/24/00/1020372400.db2.gz MLUYODFEXQEHSU-IBGZPJMESA-N 0 3 309.409 3.948 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001171805688 1032896242 /nfs/dbraw/zinc/89/62/42/1032896242.db2.gz ZUMFVEWZOKRGOE-INIZCTEOSA-N 0 3 313.401 3.869 20 30 DHEDHN COc1ccc([C@H]2C[C@H](NC3(CC#N)CCCC3)CCO2)cc1 ZINC001168629160 1020404000 /nfs/dbraw/zinc/40/40/00/1020404000.db2.gz IFNKREWPFJWVRO-SJLPKXTDSA-N 0 3 314.429 3.731 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(CCCC)CCCC)CC1 ZINC000106341343 1020409241 /nfs/dbraw/zinc/40/92/41/1020409241.db2.gz GAPBAWPXHPRMFQ-UHFFFAOYSA-N 0 3 309.498 3.639 20 30 DHEDHN C=CC[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000766022004 1020470808 /nfs/dbraw/zinc/47/08/08/1020470808.db2.gz VRGUTIJMBUQKCC-YOEHRIQHSA-N 0 3 310.397 3.821 20 30 DHEDHN C=CCN1CC[C@@H](N[C@@H](CC(C)C)c2ccc(Cl)cc2)C1=O ZINC000337167232 1032911659 /nfs/dbraw/zinc/91/16/59/1032911659.db2.gz ASAWSKCUIUPXQG-SJORKVTESA-N 0 3 320.864 3.804 20 30 DHEDHN CCCCN(CCC#N)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168654286 1020573884 /nfs/dbraw/zinc/57/38/84/1020573884.db2.gz RSCPFQRRXQLNOK-IEBWSBKVSA-N 0 3 316.445 3.931 20 30 DHEDHN CCCCCCCCCN(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000734285167 1020581808 /nfs/dbraw/zinc/58/18/08/1020581808.db2.gz HFJNUPXTMJHRQY-MRXNPFEDSA-N 0 3 309.498 3.615 20 30 DHEDHN C=CC[C@@H](C)NCc1c(C)nn(Cc2ccccc2)c1Cl ZINC000735085443 1020690453 /nfs/dbraw/zinc/69/04/53/1020690453.db2.gz ALYXJTLCLMZYRS-CYBMUJFWSA-N 0 3 303.837 3.947 20 30 DHEDHN CCn1nc(C)c(C(=O)C(C#N)c2ccc3ccccc3n2)c1C ZINC000589019085 1020759598 /nfs/dbraw/zinc/75/95/98/1020759598.db2.gz KDSIRJZXQBOGFL-HNNXBMFYSA-N 0 3 318.380 3.558 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSCCC(C)C)nc21 ZINC000735787406 1020767823 /nfs/dbraw/zinc/76/78/23/1020767823.db2.gz CCWHDXKMXNHFEB-CYBMUJFWSA-N 0 3 315.442 3.827 20 30 DHEDHN Cc1cccc2nc(C(C#N)C(=O)CSCCC(C)C)[nH]c21 ZINC000735787406 1020767829 /nfs/dbraw/zinc/76/78/29/1020767829.db2.gz CCWHDXKMXNHFEB-CYBMUJFWSA-N 0 3 315.442 3.827 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000177790993 1020803344 /nfs/dbraw/zinc/80/33/44/1020803344.db2.gz IJPNACUFKXGBAQ-CABCVRRESA-N 0 3 323.392 3.839 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2cc(Br)c(Cl)s2)C1 ZINC000381576921 1020856416 /nfs/dbraw/zinc/85/64/16/1020856416.db2.gz CPFMJMJCJJKNCY-JGVFFNPUSA-N 0 3 319.655 3.946 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(OC3CCCCC3)nc2)C1 ZINC000613254684 1020875713 /nfs/dbraw/zinc/87/57/13/1020875713.db2.gz QYOUQJLAVJMEBL-RDJZCZTQSA-N 0 3 313.445 3.965 20 30 DHEDHN CC(C)(C#N)CCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000131666229 1032941670 /nfs/dbraw/zinc/94/16/70/1032941670.db2.gz ONFDZUTXPCGEKT-HNNXBMFYSA-N 0 3 302.393 3.660 20 30 DHEDHN Cc1n[nH]cc1CNCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740013737 1020927619 /nfs/dbraw/zinc/92/76/19/1020927619.db2.gz JOWIUIBGFZSHSC-UHFFFAOYSA-N 0 3 308.410 3.608 20 30 DHEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(-n2cncn2)cc1Cl ZINC000414169128 1020957815 /nfs/dbraw/zinc/95/78/15/1020957815.db2.gz RMKWJFKBCFTTJY-GFCCVEGCSA-N 0 3 317.824 3.511 20 30 DHEDHN COc1cc(C#N)ccc1OCCN1Cc2ccccc2[C@H](C)C1 ZINC000740873966 1020958022 /nfs/dbraw/zinc/95/80/22/1020958022.db2.gz QXSOPXKRIKMHEX-OAHLLOKOSA-N 0 3 322.408 3.565 20 30 DHEDHN C=C[C@@H](COC)N[C@@H](C)c1cc(C)c(Br)s1 ZINC000309414874 1020991299 /nfs/dbraw/zinc/99/12/99/1020991299.db2.gz CJMUOPBZJFVDQB-UWVGGRQHSA-N 0 3 304.253 3.671 20 30 DHEDHN C[C@H](NCc1cccc(Cn2ccnc2)c1)c1ccc(C#N)cc1 ZINC000181471334 1021192614 /nfs/dbraw/zinc/19/26/14/1021192614.db2.gz QTPLTXPDYCJCDU-INIZCTEOSA-N 0 3 316.408 3.654 20 30 DHEDHN C=CCC[C@H](O)CNC(C)(C)c1ccccc1Br ZINC000181521019 1021222167 /nfs/dbraw/zinc/22/21/67/1021222167.db2.gz BBQUQIXEGHFOKJ-LBPRGKRZSA-N 0 3 312.251 3.601 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=C)CC ZINC000538010542 1032968035 /nfs/dbraw/zinc/96/80/35/1032968035.db2.gz IDEOKADENYCHSL-UHFFFAOYSA-N 0 3 320.506 3.551 20 30 DHEDHN COc1cc(CN[C@H](C)c2cccc(C#N)c2)c2ccccc2n1 ZINC000181827873 1021359872 /nfs/dbraw/zinc/35/98/72/1021359872.db2.gz QOEJXEGVIGLYBO-CQSZACIVSA-N 0 3 317.392 3.966 20 30 DHEDHN C[C@H](N[C@@H](C)[C@H](O)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000781424817 1021366942 /nfs/dbraw/zinc/36/69/42/1021366942.db2.gz ZALQXHHOCJHJFE-PZROIBLQSA-N 0 3 316.351 3.609 20 30 DHEDHN C=CCN(Cc1cccc(C(=O)NCc2ccco2)c1)C(C)C ZINC000917830907 1021378304 /nfs/dbraw/zinc/37/83/04/1021378304.db2.gz XYHIXBKZDCZPER-UHFFFAOYSA-N 0 3 312.413 3.606 20 30 DHEDHN CN(CCc1cccs1)Cc1cc(Cl)ccc1OCC#N ZINC000743859793 1021384343 /nfs/dbraw/zinc/38/43/43/1021384343.db2.gz JEEPVLLWAZSIGU-UHFFFAOYSA-N 0 3 320.845 3.978 20 30 DHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cccc(F)c1F ZINC000181964270 1021416233 /nfs/dbraw/zinc/41/62/33/1021416233.db2.gz BDELNTXBGBWSOZ-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN CC[C@@H](N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C#N)cc1 ZINC000618568510 1021426538 /nfs/dbraw/zinc/42/65/38/1021426538.db2.gz YJJZINTWDKHUGD-MLGOLLRUSA-N 0 3 320.396 3.942 20 30 DHEDHN CN(CC1CCCCC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744130423 1021440548 /nfs/dbraw/zinc/44/05/48/1021440548.db2.gz LGFHIHHHWPGLEC-UHFFFAOYSA-N 0 3 308.429 3.891 20 30 DHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-n2ccnn2)cc1 ZINC000182076481 1021467791 /nfs/dbraw/zinc/46/77/91/1021467791.db2.gz XCJGNPSZPGWVBT-GJZGRUSLSA-N 0 3 317.396 3.551 20 30 DHEDHN C=CCN(CCc1ccccc1)C[C@@H](O)c1c(F)cccc1F ZINC000744211593 1021469117 /nfs/dbraw/zinc/46/91/17/1021469117.db2.gz VVPKUVOBYOMZCW-GOSISDBHSA-N 0 3 317.379 3.729 20 30 DHEDHN CN(C)c1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1F ZINC000850356900 1021485346 /nfs/dbraw/zinc/48/53/46/1021485346.db2.gz TWMAGXFWNXUFHT-UHFFFAOYSA-N 0 3 311.404 3.788 20 30 DHEDHN C#CC[C@@H](NCc1ccc(OCOCC)cc1)c1ccccc1 ZINC000782962473 1021495488 /nfs/dbraw/zinc/49/54/88/1021495488.db2.gz BFRXFYSCEUOYCA-HXUWFJFHSA-N 0 3 309.409 3.914 20 30 DHEDHN C=CCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742332 1021501168 /nfs/dbraw/zinc/50/11/68/1021501168.db2.gz XCEFEWLZQZIJEF-FQEVSTJZSA-N 0 3 304.393 3.900 20 30 DHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000618801923 1021531128 /nfs/dbraw/zinc/53/11/28/1021531128.db2.gz BSINAKJTFGUXTL-SCLBCKFNSA-N 0 3 320.392 3.668 20 30 DHEDHN CC(=O)Nc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618804437 1021531906 /nfs/dbraw/zinc/53/19/06/1021531906.db2.gz LFZSSMDMBSBDGS-XCLFUZPHSA-N 0 3 319.408 3.855 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(OC)c2C)cc1 ZINC000850578523 1021618208 /nfs/dbraw/zinc/61/82/08/1021618208.db2.gz MPRXYYYSWWXDHQ-MRXNPFEDSA-N 0 3 309.409 3.866 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1 ZINC000850760879 1021641205 /nfs/dbraw/zinc/64/12/05/1021641205.db2.gz FDIGWFRORJYXQV-IUODEOHRSA-N 0 3 304.365 3.597 20 30 DHEDHN CC1(C)CN(C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000763568381 1021743424 /nfs/dbraw/zinc/74/34/24/1021743424.db2.gz XNDMZGQKHNROOO-RBUKOAKNSA-N 0 3 306.409 3.675 20 30 DHEDHN N#Cc1csc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000182696456 1021770056 /nfs/dbraw/zinc/77/00/56/1021770056.db2.gz ZEGJVNZSYWRUKX-HOTGVXAUSA-N 0 3 320.364 3.518 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000644573031 1021772062 /nfs/dbraw/zinc/77/20/62/1021772062.db2.gz INXYVUPHSGWTDG-UHFFFAOYSA-N 0 3 314.473 3.632 20 30 DHEDHN CCn1nc(C)c(CN[C@@H]2CCCCc3cc(C#N)ccc32)c1C ZINC000619508292 1021772588 /nfs/dbraw/zinc/77/25/88/1021772588.db2.gz RCAZQGCSWDXLLG-HXUWFJFHSA-N 0 3 322.456 3.949 20 30 DHEDHN CN(Cc1ccc(-c2cnn(C)c2)s1)Cc1ccc(C#N)cc1 ZINC000338944246 1022104747 /nfs/dbraw/zinc/10/47/47/1022104747.db2.gz JNOKTJCNLFYNSS-UHFFFAOYSA-N 0 3 322.437 3.652 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000620309317 1022118730 /nfs/dbraw/zinc/11/87/30/1022118730.db2.gz NQDUUCUOUJOXKN-ZCNNSNEGSA-N 0 3 324.468 3.751 20 30 DHEDHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1Br ZINC000481116938 1022135863 /nfs/dbraw/zinc/13/58/63/1022135863.db2.gz MXJKVPDELXQQCW-BXUZGUMPSA-N 0 3 307.235 3.941 20 30 DHEDHN N#CCOc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000180548299 1022148336 /nfs/dbraw/zinc/14/83/36/1022148336.db2.gz CDTNCNSPLDONTK-SFHVURJKSA-N 0 3 308.381 3.592 20 30 DHEDHN CC1(C)CN(CCOc2cccc(C#N)c2)Cc2ccccc21 ZINC001168859839 1022153717 /nfs/dbraw/zinc/15/37/17/1022153717.db2.gz SKCJOPGDXJYDRI-UHFFFAOYSA-N 0 3 306.409 3.730 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1ccccc1C(F)(F)F ZINC000852685669 1022159585 /nfs/dbraw/zinc/15/95/85/1022159585.db2.gz HUFOORAOJTYIEK-ZENOOKHLSA-N 0 3 311.347 3.922 20 30 DHEDHN C[C@@H](c1ccncc1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000609539612 1022298503 /nfs/dbraw/zinc/29/85/03/1022298503.db2.gz QAPAOCKDQAOTAU-HNNXBMFYSA-N 0 3 307.397 3.558 20 30 DHEDHN Cc1ccsc1CN1CCC(Oc2ccccc2C#N)CC1 ZINC001204023896 1022354827 /nfs/dbraw/zinc/35/48/27/1022354827.db2.gz QTASROAKGZLCHQ-UHFFFAOYSA-N 0 3 312.438 3.972 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC000538393384 1033052052 /nfs/dbraw/zinc/05/20/52/1033052052.db2.gz WXDKVYVNMXJLDG-LPHOPBHVSA-N 0 3 314.473 3.849 20 30 DHEDHN C#CCCOc1ccc(CNCc2cccc(OCC)c2)cc1 ZINC000113322974 1022635342 /nfs/dbraw/zinc/63/53/42/1022635342.db2.gz AILVTSZJRKUGME-UHFFFAOYSA-N 0 3 309.409 3.777 20 30 DHEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccccc2)ccc1OC ZINC000113347640 1022635605 /nfs/dbraw/zinc/63/56/05/1022635605.db2.gz NHQFUNJCAJEDMA-KRWDZBQOSA-N 0 3 310.397 3.666 20 30 DHEDHN CC(C)n1ccc(CNC2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000584735748 1022672799 /nfs/dbraw/zinc/67/27/99/1022672799.db2.gz AMVXMEBEOPVEIX-UHFFFAOYSA-N 0 3 322.456 3.958 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)N(C)Cc1nc2ccccc2o1 ZINC001172311151 1033079585 /nfs/dbraw/zinc/07/95/85/1033079585.db2.gz QAZPDXHGNFYLKW-AWEZNQCLSA-N 0 3 305.381 3.762 20 30 DHEDHN CC(C)CCN(C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000053365056 1022849851 /nfs/dbraw/zinc/84/98/51/1022849851.db2.gz CQWWIMDAHMMAFU-GFCCVEGCSA-N 0 3 307.825 3.517 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CC2CCCC2)c1 ZINC000114617946 1022875292 /nfs/dbraw/zinc/87/52/92/1022875292.db2.gz GCIYRBZBKRDWIS-PBHICJAKSA-N 0 3 312.413 3.859 20 30 DHEDHN C[C@H](CNCC1(C#N)CCC1)c1cccc(Br)c1 ZINC000418145331 1022975423 /nfs/dbraw/zinc/97/54/23/1022975423.db2.gz XMAZPXKEKGRZFA-GFCCVEGCSA-N 0 3 307.235 3.836 20 30 DHEDHN C#CCCOc1ccc(CN(Cc2ccccn2)C(C)C)cc1 ZINC000768926902 1023057520 /nfs/dbraw/zinc/05/75/20/1023057520.db2.gz SBVCIUOUPGMIKU-UHFFFAOYSA-N 0 3 308.425 3.894 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)cc1 ZINC000123670319 1023060207 /nfs/dbraw/zinc/06/02/07/1023060207.db2.gz NWHJYVVMDVULFR-DYVFJYSZSA-N 0 3 324.380 3.683 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NCc1csc(Br)c1 ZINC000695892116 1023087534 /nfs/dbraw/zinc/08/75/34/1023087534.db2.gz PSYUSTVZWGBNNQ-SECBINFHSA-N 0 3 301.253 3.929 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cnc(Cl)cc1Cl ZINC001172298972 1033104739 /nfs/dbraw/zinc/10/47/39/1033104739.db2.gz FFLWGEDMRUBBCP-LLVKDONJSA-N 0 3 320.223 3.981 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1 ZINC000876628611 1033110302 /nfs/dbraw/zinc/11/03/02/1033110302.db2.gz KUOSKLBPBJPEFJ-YESZJQIVSA-N 0 3 320.864 3.641 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000787035461 1023751220 /nfs/dbraw/zinc/75/12/20/1023751220.db2.gz VOOXITXGDNAPBN-BTYIYWSLSA-N 0 3 316.404 3.908 20 30 DHEDHN C=CCC1(NCc2nc(-c3ccc(OC)cc3)no2)CCCC1 ZINC000661848197 1023776881 /nfs/dbraw/zinc/77/68/81/1023776881.db2.gz CFNFKCJFKKVMPK-UHFFFAOYSA-N 0 3 313.401 3.724 20 30 DHEDHN Clc1cccc(C#CCN2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000661874102 1023791473 /nfs/dbraw/zinc/79/14/73/1023791473.db2.gz IFZFMIGZQXEBPN-HKUYNNGSSA-N 0 3 317.860 3.973 20 30 DHEDHN COc1ccc2c(c1)nccc2NCc1ccc(OC)c(C#N)c1 ZINC000746710698 1023826467 /nfs/dbraw/zinc/82/64/67/1023826467.db2.gz NSDDXFDCZXVEMJ-UHFFFAOYSA-N 0 3 319.364 3.736 20 30 DHEDHN COc1ccc(CNCc2cccn2CCC(C)C)cc1C#N ZINC000746743142 1023872364 /nfs/dbraw/zinc/87/23/64/1023872364.db2.gz WAQXZFWPSAZRIO-UHFFFAOYSA-N 0 3 311.429 3.704 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000662078783 1023887584 /nfs/dbraw/zinc/88/75/84/1023887584.db2.gz GQPKMPARNRKOKE-BMFZPTHFSA-N 0 3 316.470 3.919 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000662086292 1023895778 /nfs/dbraw/zinc/89/57/78/1023895778.db2.gz QIUVHHKODPMWHI-BHYGNILZSA-N 0 3 314.429 3.595 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)ccc1NCCC ZINC000876874313 1033173701 /nfs/dbraw/zinc/17/37/01/1033173701.db2.gz DOGQANSUENRVNY-LLVKDONJSA-N 0 3 316.232 3.570 20 30 DHEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NNCCc1ccncc1 ZINC000789094228 1023997660 /nfs/dbraw/zinc/99/76/60/1023997660.db2.gz OMZVZVZFNXYXAK-JVCOFSOSSA-N 0 3 320.440 3.511 20 30 DHEDHN CN(CC(=O)N[C@@H](CCCC#N)c1ccccc1)CC(C)(C)C ZINC000602156992 1024086259 /nfs/dbraw/zinc/08/62/59/1024086259.db2.gz AWJAFECLFFRMDU-KRWDZBQOSA-N 0 3 315.461 3.516 20 30 DHEDHN C[C@@H](NCCSCc1ccccc1C#N)c1cncs1 ZINC000268818456 1024167937 /nfs/dbraw/zinc/16/79/37/1024167937.db2.gz QZFNTBSKCSPBSN-GFCCVEGCSA-N 0 3 303.456 3.599 20 30 DHEDHN N#Cc1cc(CN2CC[C@@H](COCc3ccccc3)C2)ccc1F ZINC000121545041 1024270201 /nfs/dbraw/zinc/27/02/01/1024270201.db2.gz OMXHLRNGHMRDAD-GOSISDBHSA-N 0 3 324.399 3.736 20 30 DHEDHN CCC[C@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348802605 1024391331 /nfs/dbraw/zinc/39/13/31/1024391331.db2.gz AYKFTAIKHSTTOJ-INIZCTEOSA-N 0 3 310.401 3.763 20 30 DHEDHN C=C1CCC(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC001126286768 1024427971 /nfs/dbraw/zinc/42/79/71/1024427971.db2.gz VNBCHAXCIXHINY-IBGZPJMESA-N 0 3 312.457 3.514 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2c(O)cccc21 ZINC000585726622 1024573960 /nfs/dbraw/zinc/57/39/60/1024573960.db2.gz SXDQBTCAIGVMIV-MOPGFXCFSA-N 0 3 304.393 3.918 20 30 DHEDHN COc1cc(C)c(CN[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000083448569 1024574298 /nfs/dbraw/zinc/57/42/98/1024574298.db2.gz TZWPECLQZFCVSC-AWEZNQCLSA-N 0 3 310.397 3.735 20 30 DHEDHN C[C@@H](CCCC#N)NCc1cn(Cc2ccc(Cl)cc2)cn1 ZINC001172489037 1033223088 /nfs/dbraw/zinc/22/30/88/1033223088.db2.gz YHSBAGNKIAXZOG-AWEZNQCLSA-N 0 3 316.836 3.757 20 30 DHEDHN O[C@H](c1ccccc1)[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000792246994 1024652596 /nfs/dbraw/zinc/65/25/96/1024652596.db2.gz UADJVUXKFZFQNX-LEWJYISDSA-N 0 3 305.421 3.626 20 30 DHEDHN Cc1cc(C)nc(NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000349180278 1024684984 /nfs/dbraw/zinc/68/49/84/1024684984.db2.gz XAHBJFDCLBHNLZ-UHFFFAOYSA-N 0 3 317.396 3.583 20 30 DHEDHN C[C@H](CCCC#N)N[C@H](CO)c1ccc(Cl)cc1Cl ZINC001172489894 1033224114 /nfs/dbraw/zinc/22/41/14/1033224114.db2.gz SBGXJECHABARCK-QMTHXVAHSA-N 0 3 301.217 3.699 20 30 DHEDHN Cc1cc2ccccc2nc1N1CCN([C@@H](C)CCCC#N)CC1 ZINC001172501930 1033232337 /nfs/dbraw/zinc/23/23/37/1033232337.db2.gz SIVIPINYDUFVRD-KRWDZBQOSA-N 0 3 322.456 3.748 20 30 DHEDHN C=CCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000279139963 1024757384 /nfs/dbraw/zinc/75/73/84/1024757384.db2.gz NTUVDBRTTJSEQI-UHFFFAOYSA-N 0 3 303.387 3.774 20 30 DHEDHN Cc1cc(CN(C)C2CCC(C#N)(c3ccccc3)CC2)n(C)n1 ZINC001170387645 1024761973 /nfs/dbraw/zinc/76/19/73/1024761973.db2.gz YSDLTZCYTPKJIF-UHFFFAOYSA-N 0 3 322.456 3.565 20 30 DHEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000350733139 1024848647 /nfs/dbraw/zinc/84/86/47/1024848647.db2.gz XQVFZXONWRFXQD-GOEBONIOSA-N 0 3 315.465 3.724 20 30 DHEDHN CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1c(C)nn(C)c1C ZINC000353266985 1025009920 /nfs/dbraw/zinc/00/99/20/1025009920.db2.gz KHYIYTWRGQGVKX-ROUUACIJSA-N 0 3 308.429 3.637 20 30 DHEDHN C=CCCC(C)(C)CNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000877147647 1033258037 /nfs/dbraw/zinc/25/80/37/1033258037.db2.gz JICWOCUVCLNNHI-AWEZNQCLSA-N 0 3 323.868 3.542 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@](C)(O)CC2)cc1Cl ZINC000279703674 1025162154 /nfs/dbraw/zinc/16/21/54/1025162154.db2.gz RNBRLGOPLACXFL-KRWDZBQOSA-N 0 3 309.837 3.642 20 30 DHEDHN CCC[N@H+](Cc1ccc(OC)c(C#N)c1)Cc1ccccc1[O-] ZINC000135111083 1025183199 /nfs/dbraw/zinc/18/31/99/1025183199.db2.gz PCSFGWQNXREQBG-UHFFFAOYSA-N 0 3 310.397 3.685 20 30 DHEDHN CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)Cc1ccccc1[O-] ZINC000135111083 1025183203 /nfs/dbraw/zinc/18/32/03/1025183203.db2.gz PCSFGWQNXREQBG-UHFFFAOYSA-N 0 3 310.397 3.685 20 30 DHEDHN C=CC[C@H](C)N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001167889381 1025193519 /nfs/dbraw/zinc/19/35/19/1025193519.db2.gz LEEWNYQUPMQXRD-HOCLYGCPSA-N 0 3 312.413 3.592 20 30 DHEDHN C=CCOCCN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000339025669 1025387689 /nfs/dbraw/zinc/38/76/89/1025387689.db2.gz AJNJXKBFFKSHAQ-UHFFFAOYSA-N 0 3 300.377 3.599 20 30 DHEDHN CCN(Cc1ccc(Cl)s1)C[C@H](O)CC1(C#N)CCC1 ZINC000885931184 1025410425 /nfs/dbraw/zinc/41/04/25/1025410425.db2.gz PWWJFVMHFUJRGV-GFCCVEGCSA-N 0 3 312.866 3.668 20 30 DHEDHN COc1ccccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555640 1025411437 /nfs/dbraw/zinc/41/14/37/1025411437.db2.gz DBLCNRAYZSKYLU-GFCCVEGCSA-N 0 3 320.270 3.599 20 30 DHEDHN N#CC1(C[C@H](O)CN2CCC[C@H]2c2ccccc2Cl)CCC1 ZINC000885961063 1025420398 /nfs/dbraw/zinc/42/03/98/1025420398.db2.gz TZJSAAGVXRRBRJ-YOEHRIQHSA-N 0 3 318.848 3.922 20 30 DHEDHN COCc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000125698013 1025488551 /nfs/dbraw/zinc/48/85/51/1025488551.db2.gz ZFYNOPGUEQGZQI-UHFFFAOYSA-N 0 3 306.409 3.547 20 30 DHEDHN C#CC[C@H]1CCN([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000886356192 1025603504 /nfs/dbraw/zinc/60/35/04/1025603504.db2.gz VRSRGAVJCDYNEH-KBPBESRZSA-N 0 3 313.376 3.590 20 30 DHEDHN C#CC[C@@H]1CCN([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000886356195 1025603686 /nfs/dbraw/zinc/60/36/86/1025603686.db2.gz VRSRGAVJCDYNEH-ZIAGYGMSSA-N 0 3 313.376 3.590 20 30 DHEDHN C#CC[C@@H]1CCN([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000886355857 1025604227 /nfs/dbraw/zinc/60/42/27/1025604227.db2.gz OTKFJXDKIHVLLI-ZIAGYGMSSA-N 0 3 313.376 3.590 20 30 DHEDHN C#CCC1(NCc2c(Cl)oc3ccccc32)CCOCC1 ZINC000886378994 1025610656 /nfs/dbraw/zinc/61/06/56/1025610656.db2.gz JGSOJMQDQZAZKA-UHFFFAOYSA-N 0 3 303.789 3.748 20 30 DHEDHN Cc1ccnc(N)c1CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000893957401 1025624277 /nfs/dbraw/zinc/62/42/77/1025624277.db2.gz FCTQGYCWPINECN-UHFFFAOYSA-N 0 3 308.429 3.502 20 30 DHEDHN Cc1ccccc1[C@H](CO)N(C)Cc1ccccc1C(C)(C)C#N ZINC000886433772 1025626497 /nfs/dbraw/zinc/62/64/97/1025626497.db2.gz UGIPVBWYRIAGJQ-FQEVSTJZSA-N 0 3 322.452 3.962 20 30 DHEDHN N#CCCCCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000805914112 1025710315 /nfs/dbraw/zinc/71/03/15/1025710315.db2.gz AOROXZSXKAGAKW-GOSISDBHSA-N 0 3 314.429 3.668 20 30 DHEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000614159431 1025779408 /nfs/dbraw/zinc/77/94/08/1025779408.db2.gz BQIZJMBECXVGER-UHFFFAOYSA-N 0 3 322.408 3.848 20 30 DHEDHN Cc1noc(C2CCN(Cc3ccc(C(C)(C)C#N)cc3)CC2)n1 ZINC000614160646 1025782493 /nfs/dbraw/zinc/78/24/93/1025782493.db2.gz SFTJXWDFOSTQNK-UHFFFAOYSA-N 0 3 324.428 3.559 20 30 DHEDHN CN1CCN(Cc2ccc(C(C)(C)C#N)cc2)Cc2ccccc21 ZINC000614164689 1025788410 /nfs/dbraw/zinc/78/84/10/1025788410.db2.gz QLODLJZNZDDXTQ-UHFFFAOYSA-N 0 3 319.452 3.940 20 30 DHEDHN CC(C)[C@@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075744916 1025850198 /nfs/dbraw/zinc/85/01/98/1025850198.db2.gz OVQMQLICDCEXBB-MRXNPFEDSA-N 0 3 324.428 3.866 20 30 DHEDHN C=CCC1(O)CCN(Cc2oc(-c3ccccc3)nc2C)CC1 ZINC000886780310 1025900485 /nfs/dbraw/zinc/90/04/85/1025900485.db2.gz ILNJQDADBSDVAY-UHFFFAOYSA-N 0 3 312.413 3.553 20 30 DHEDHN CCOCc1ccccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000236990352 1026002727 /nfs/dbraw/zinc/00/27/27/1026002727.db2.gz OOEACOYDVLUSFK-MRXNPFEDSA-N 0 3 324.424 3.804 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2c2cccn2C)cc1 ZINC000245504762 1026053038 /nfs/dbraw/zinc/05/30/38/1026053038.db2.gz KWVMUEWWDRVWFV-KXBFYZLASA-N 0 3 309.413 3.653 20 30 DHEDHN C#CCSCCN[C@H](C)c1ccc(F)cc1Br ZINC000222113661 1026060300 /nfs/dbraw/zinc/06/03/00/1026060300.db2.gz MHHMZTNOJZJTIO-SNVBAGLBSA-N 0 3 316.239 3.605 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000454458905 1026098786 /nfs/dbraw/zinc/09/87/86/1026098786.db2.gz GDMNOYURXMSYKA-IKGGRYGDSA-N 0 3 321.509 3.541 20 30 DHEDHN C#CCCOc1ccc(CN2CCC(OC(C)(C)C)CC2)cc1 ZINC000092454256 1026110308 /nfs/dbraw/zinc/11/03/08/1026110308.db2.gz XALDJGBCGGYWTG-UHFFFAOYSA-N 0 3 315.457 3.868 20 30 DHEDHN CC(C)(C)OC(=O)Nc1ccsc1CNCC1(CC#N)CC1 ZINC000894197047 1026344072 /nfs/dbraw/zinc/34/40/72/1026344072.db2.gz ANUIOKCZEYTASB-UHFFFAOYSA-N 0 3 321.446 3.879 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808718953 1026367490 /nfs/dbraw/zinc/36/74/90/1026367490.db2.gz QXKKBAOYKIREIC-AHIWAGSCSA-N 0 3 309.837 3.986 20 30 DHEDHN CN(C)c1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000237092398 1026428598 /nfs/dbraw/zinc/42/85/98/1026428598.db2.gz XYJBAGDNTMBFHN-UHFFFAOYSA-N 0 3 323.440 3.725 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OC3CCCC3)nc2)cc1 ZINC000809607454 1026561738 /nfs/dbraw/zinc/56/17/38/1026561738.db2.gz ZXVHOCVNSPMWEQ-UHFFFAOYSA-N 0 3 306.409 3.674 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC000809592734 1026566904 /nfs/dbraw/zinc/56/69/04/1026566904.db2.gz IZIRZHIBXMNNPA-SFHVURJKSA-N 0 3 313.441 3.612 20 30 DHEDHN C#C[C@H](NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(C)C ZINC000809685787 1026592395 /nfs/dbraw/zinc/59/23/95/1026592395.db2.gz QVJNBBWASCGUBF-INIZCTEOSA-N 0 3 321.346 3.639 20 30 DHEDHN C#CCCOc1ccc(CN2CCC=C(c3ccco3)C2)cc1 ZINC000809688854 1026595649 /nfs/dbraw/zinc/59/56/49/1026595649.db2.gz QCHCSDHFJNFJLJ-UHFFFAOYSA-N 0 3 307.393 3.971 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000809729332 1026595978 /nfs/dbraw/zinc/59/59/78/1026595978.db2.gz SKEIZLVTDRGMRN-KXBFYZLASA-N 0 3 307.397 3.710 20 30 DHEDHN CCN(Cc1ccc(O[C@@H](C)C#N)cc1)[C@H](C)c1cccnc1 ZINC000809763996 1026620938 /nfs/dbraw/zinc/62/09/38/1026620938.db2.gz BWUPJGBKLWCWPF-JKSUJKDBSA-N 0 3 309.413 3.956 20 30 DHEDHN C#C[C@@H](NCc1c(C)nn(-c2ccc(F)cc2)c1C)C(C)(C)C ZINC000809781739 1026623002 /nfs/dbraw/zinc/62/30/02/1026623002.db2.gz YZBOSYVZUKKNRP-GOSISDBHSA-N 0 3 313.420 3.766 20 30 DHEDHN C#C[C@@H](NCc1cccc(OCc2ccccn2)c1)C(C)(C)C ZINC000809782345 1026624219 /nfs/dbraw/zinc/62/42/19/1026624219.db2.gz PSNBRERJCQLQCM-LJQANCHMSA-N 0 3 308.425 3.798 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccccc2F)s1 ZINC000419839236 1026766385 /nfs/dbraw/zinc/76/63/85/1026766385.db2.gz QARZDSSEPNANOX-SNVBAGLBSA-N 0 3 317.389 3.826 20 30 DHEDHN C[C@@H]1C(N=Nc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000811637769 1027046058 /nfs/dbraw/zinc/04/60/58/1027046058.db2.gz KFKKLLDHPFAXMG-OAHLLOKOSA-N 0 3 304.397 3.621 20 30 DHEDHN Fc1ccc(CCN2CCC(=NOC/C=C/Cl)CC2)cc1 ZINC000811668776 1027057895 /nfs/dbraw/zinc/05/78/95/1027057895.db2.gz JRKQTQCLEQIUGV-XLUWADSXSA-N 0 3 310.800 3.589 20 30 DHEDHN COc1ccccc1[C@H]1CCCN(Cc2cncc(C#N)c2)CC1 ZINC000931562230 1027171161 /nfs/dbraw/zinc/17/11/61/1027171161.db2.gz AUSRFTLDWYEXMF-SFHVURJKSA-N 0 3 321.424 3.732 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)s1 ZINC000362388592 1027177292 /nfs/dbraw/zinc/17/72/92/1027177292.db2.gz HBESCZQFYKRYJC-QZTJIDSGSA-N 0 3 312.438 3.708 20 30 DHEDHN C#C[C@H](NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000812792711 1027411430 /nfs/dbraw/zinc/41/14/30/1027411430.db2.gz FXXMVZWCEJVDDX-FQEVSTJZSA-N 0 3 308.400 3.759 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)OCO2 ZINC000574798807 1027427105 /nfs/dbraw/zinc/42/71/05/1027427105.db2.gz BWHHBEXOJNFLBS-SJKOYZFVSA-N 0 3 306.365 3.625 20 30 DHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)OCO2 ZINC000574798809 1027428383 /nfs/dbraw/zinc/42/83/83/1027428383.db2.gz BWHHBEXOJNFLBS-YVEFUNNKSA-N 0 3 306.365 3.625 20 30 DHEDHN N#Cc1ccc2c(c1)CCN([C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170689193 1027440043 /nfs/dbraw/zinc/44/00/43/1027440043.db2.gz HSCMQOPQOUQZKI-SFHVURJKSA-N 0 3 324.374 3.752 20 30 DHEDHN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000813059555 1027508268 /nfs/dbraw/zinc/50/82/68/1027508268.db2.gz BRPQVTRLYJPCDE-OIISXLGYSA-N 0 3 320.392 3.923 20 30 DHEDHN C=CCC[C@@H](NCCOc1ccccc1OC)c1ccco1 ZINC000576059099 1027554278 /nfs/dbraw/zinc/55/42/78/1027554278.db2.gz GOSLRNRUNBTHAD-OAHLLOKOSA-N 0 3 301.386 3.964 20 30 DHEDHN CN(Cc1ccc(CC#N)cc1)Cc1ccc(OC(F)F)cc1 ZINC000576499412 1027623701 /nfs/dbraw/zinc/62/37/01/1027623701.db2.gz OPQQHSGPWOEFIR-UHFFFAOYSA-N 0 3 316.351 3.986 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCCCc1nccs1 ZINC000778169408 1027731616 /nfs/dbraw/zinc/73/16/16/1027731616.db2.gz QMURLPYEARGLQO-UHFFFAOYSA-N 0 3 320.845 3.531 20 30 DHEDHN C=CC[C@H](N[C@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccncc1 ZINC000813856897 1027732339 /nfs/dbraw/zinc/73/23/39/1027732339.db2.gz DLQUIMPESTYLAF-BEFAXECRSA-N 0 3 323.440 3.751 20 30 DHEDHN O=C1C=COC2(CCN(CCCc3ccccc3Cl)CC2)C1 ZINC000933649100 1027785003 /nfs/dbraw/zinc/78/50/03/1027785003.db2.gz XAXUXIDGQMJAII-UHFFFAOYSA-N 0 3 319.832 3.610 20 30 DHEDHN CC(C)(C)c1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933658898 1027792951 /nfs/dbraw/zinc/79/29/51/1027792951.db2.gz VSQFQSQTZFBMSL-UHFFFAOYSA-N 0 3 313.441 3.822 20 30 DHEDHN C=CCn1cc(CN[C@H]2CCC[C@H](c3ccccc3)CC2)nn1 ZINC000527718690 1027859026 /nfs/dbraw/zinc/85/90/26/1027859026.db2.gz FKDHYFONDXFTRZ-ROUUACIJSA-N 0 3 310.445 3.670 20 30 DHEDHN COc1ccc(C(C)=NOCCC2CC2)cc1CN1CCCC1 ZINC000814246291 1027959633 /nfs/dbraw/zinc/95/96/33/1027959633.db2.gz HUZXIAMQOKBVHH-UHFFFAOYSA-N 0 3 316.445 3.832 20 30 DHEDHN C#CCN(C(=O)C1CCC(CCCC)CC1)C1CCN(C)CC1 ZINC001134262997 1028006158 /nfs/dbraw/zinc/00/61/58/1028006158.db2.gz ZLLNDGIXUIGMFY-UHFFFAOYSA-N 0 3 318.505 3.539 20 30 DHEDHN C=CCN(C)CCN(CC)C(=O)c1cc2c(s1)CCCCC2 ZINC001297377891 1028032975 /nfs/dbraw/zinc/03/29/75/1028032975.db2.gz CVHYVEDVSQUVST-UHFFFAOYSA-N 0 3 320.502 3.597 20 30 DHEDHN C=CCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC000449043798 1028306372 /nfs/dbraw/zinc/30/63/72/1028306372.db2.gz ZZGYCBLBDPNHSA-GOSISDBHSA-N 0 3 312.457 3.514 20 30 DHEDHN CCCCCNC(=O)C(C#N)C(=O)CC[C@H](C)c1ccccc1 ZINC000160122042 1028457488 /nfs/dbraw/zinc/45/74/88/1028457488.db2.gz QLBOSJWRIQGKBG-DOTOQJQBSA-N 0 3 314.429 3.586 20 30 DHEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000075611647 1028523504 /nfs/dbraw/zinc/52/35/04/1028523504.db2.gz GVXKMVBOMUXEDR-RDJZCZTQSA-N 0 3 322.412 3.763 20 30 DHEDHN C=CCCCC[C@@H](C)[NH2+][C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000449290685 1028529751 /nfs/dbraw/zinc/52/97/51/1028529751.db2.gz HDHDWGFCBNXHQH-HUUCEWRRSA-N 0 3 313.449 3.961 20 30 DHEDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565046469 1028534232 /nfs/dbraw/zinc/53/42/32/1028534232.db2.gz LCONUJGXIOEFAK-CABCVRRESA-N 0 3 319.430 3.572 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@H](OCC)[C@@H](C)C2)cc1OC ZINC000449489751 1028700279 /nfs/dbraw/zinc/70/02/79/1028700279.db2.gz AXVDQJLNNNNHIN-DOTOQJQBSA-N 0 3 319.445 3.507 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@@H](OC)[C@H](C)C2)ccc1OC ZINC000449495843 1028707086 /nfs/dbraw/zinc/70/70/86/1028707086.db2.gz IJNRHFVSILSJBS-NVXWUHKLSA-N 0 3 319.445 3.507 20 30 DHEDHN N#CC(C(=O)CCCc1cccs1)c1nc2ccccc2[nH]1 ZINC000041497730 1028738741 /nfs/dbraw/zinc/73/87/41/1028738741.db2.gz ALJDIERTSVSKPW-CYBMUJFWSA-N 0 3 309.394 3.824 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Br)c(Cl)s1 ZINC000449519364 1028745073 /nfs/dbraw/zinc/74/50/73/1028745073.db2.gz MAYAYIJYMICYBE-ZJUUUORDSA-N 0 3 322.655 3.597 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2ccncc2)cc1F ZINC000449546656 1028762841 /nfs/dbraw/zinc/76/28/41/1028762841.db2.gz CXBDTQRNFFBXII-MOPGFXCFSA-N 0 3 312.388 3.711 20 30 DHEDHN C#CCCOc1ccc(CN2CC[C@H](O)c3ccccc3C2)cc1 ZINC000371870670 1028769034 /nfs/dbraw/zinc/76/90/34/1028769034.db2.gz RVVSQCMMUGNINU-NRFANRHFSA-N 0 3 321.420 3.528 20 30 DHEDHN N#CCC[C@H](C#N)CNCC1(c2ccc(Cl)cc2)CCC1 ZINC000566909355 1028803242 /nfs/dbraw/zinc/80/32/42/1028803242.db2.gz BXRGUMJWBHHWQN-CQSZACIVSA-N 0 3 301.821 3.795 20 30 DHEDHN C[C@H]1C[C@@H](c2ccsc2)CN1Cc1cnc2ccc(C#N)cn12 ZINC000372405886 1028850814 /nfs/dbraw/zinc/85/08/14/1028850814.db2.gz ZRLBPAXUSPXXOH-XJKSGUPXSA-N 0 3 322.437 3.645 20 30 DHEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(C2CC2)cc1 ZINC000567223083 1028859169 /nfs/dbraw/zinc/85/91/69/1028859169.db2.gz AJFHMTHZVIAQQI-CQSZACIVSA-N 0 3 319.408 3.725 20 30 DHEDHN C=C(C)CN(CCc1ccncc1C)Cc1cnn(C(C)C)c1 ZINC000567380931 1028883898 /nfs/dbraw/zinc/88/38/98/1028883898.db2.gz DDYSBTKYPYNOPA-UHFFFAOYSA-N 0 3 312.461 3.788 20 30 DHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000007018736 1029033016 /nfs/dbraw/zinc/03/30/16/1029033016.db2.gz ZSPJXYISTHOXMH-MGPUTAFESA-N 0 3 323.440 3.545 20 30 DHEDHN CCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)CC(C)C ZINC000120106836 1029060002 /nfs/dbraw/zinc/06/00/02/1029060002.db2.gz RBDATMCZZBKHAZ-UHFFFAOYSA-N 0 3 321.852 3.565 20 30 DHEDHN COc1cc(Br)ccc1[C@H](C)N[C@@H](C)CCC#N ZINC000411621325 1029173285 /nfs/dbraw/zinc/17/32/85/1029173285.db2.gz QZCOQIKNZZPCFH-QWRGUYRKSA-N 0 3 311.223 3.801 20 30 DHEDHN C=CC[C@H](C)N[C@@H](c1nc(Br)cs1)C1CC1 ZINC000817582457 1029211023 /nfs/dbraw/zinc/21/10/23/1029211023.db2.gz YCZBDEMXBOCIMR-GZMMTYOYSA-N 0 3 301.253 3.911 20 30 DHEDHN Cn1cc(CNCc2ccc(Oc3ccccc3)cc2)cc1C#N ZINC000190919712 1029213790 /nfs/dbraw/zinc/21/37/90/1029213790.db2.gz FMNMSZZULKDEEJ-UHFFFAOYSA-N 0 3 317.392 3.979 20 30 DHEDHN CC[C@@H]1C[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])CCO1 ZINC000817708484 1029230167 /nfs/dbraw/zinc/23/01/67/1029230167.db2.gz YTAQWGGMBJPUON-JNCYRGSCSA-N 0 3 304.434 3.615 20 30 DHEDHN COc1cccc([C@H]2CN(Cc3ccc(C#N)o3)CC2(C)C)c1 ZINC000529639013 1029473784 /nfs/dbraw/zinc/47/37/84/1029473784.db2.gz IQENRRWRZVTSPI-GOSISDBHSA-N 0 3 310.397 3.785 20 30 DHEDHN C[C@@H](NN=C1CCCC[C@@H]1N1CCCCC1)c1ccncc1 ZINC000819817086 1029614838 /nfs/dbraw/zinc/61/48/38/1029614838.db2.gz VILDMKOGJSVVRA-QAPCUYQASA-N 0 3 300.450 3.517 20 30 DHEDHN N#Cc1cc(Cl)ccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450862284 1029712084 /nfs/dbraw/zinc/71/20/84/1029712084.db2.gz OZDRFYYDHYGSTG-GVDBMIGSSA-N 0 3 316.832 3.649 20 30 DHEDHN C#C[C@@H](N[C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000822485213 1030041722 /nfs/dbraw/zinc/04/17/22/1030041722.db2.gz IHLUQNOQHQXFKZ-QKGUJMCYSA-N 0 3 303.833 3.808 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN(C)[C@@H](C)C(C)C ZINC000533247395 1030221072 /nfs/dbraw/zinc/22/10/72/1030221072.db2.gz BRQQRAQKHZQAPZ-AWEZNQCLSA-N 0 3 306.475 3.880 20 30 DHEDHN C=CCCCCCN(C)[C@H](C)C(=O)NCc1ccccc1F ZINC000533290243 1030249175 /nfs/dbraw/zinc/24/91/75/1030249175.db2.gz VREDBSZLCVSJMZ-OAHLLOKOSA-N 0 3 306.425 3.509 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000533300632 1030259686 /nfs/dbraw/zinc/25/96/86/1030259686.db2.gz HYCBDLBVEPUSRF-HUUCEWRRSA-N 0 3 314.429 3.897 20 30 DHEDHN C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccccc1[O-] ZINC000866448690 1030300720 /nfs/dbraw/zinc/30/07/20/1030300720.db2.gz JRDCHVJEXLTVMQ-OAHLLOKOSA-N 0 3 321.424 3.583 20 30 DHEDHN CN(CCC1(C#N)CCCCC1)C[C@](C)(O)c1ccccc1 ZINC000823611968 1030339871 /nfs/dbraw/zinc/33/98/71/1030339871.db2.gz CHIYMVRJXNSJBG-SFHVURJKSA-N 0 3 300.446 3.690 20 30 DHEDHN CC(=O)Oc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000823619043 1030342729 /nfs/dbraw/zinc/34/27/29/1030342729.db2.gz WWNDLINJSFVOAF-AWEZNQCLSA-N 0 3 308.381 3.677 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1c(F)cccc1F ZINC000823617755 1030343381 /nfs/dbraw/zinc/34/33/81/1030343381.db2.gz MFJVEABHPLEVEH-SJKOYZFVSA-N 0 3 316.351 3.563 20 30 DHEDHN C=CCCCN(C)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000533437378 1030354261 /nfs/dbraw/zinc/35/42/61/1030354261.db2.gz HCPIUQXMJKLEDC-KRWDZBQOSA-N 0 3 304.409 3.528 20 30 DHEDHN CC1(C)Cc2cc(CNCc3cccc(OCC#N)c3)ccc2O1 ZINC000113346885 1030384153 /nfs/dbraw/zinc/38/41/53/1030384153.db2.gz DZFNQTHDXANHSE-UHFFFAOYSA-N 0 3 322.408 3.592 20 30 DHEDHN C=CC[C@H](CO)CN[C@H](c1ccc(CC)cc1)c1cccnc1 ZINC000925699870 1030458806 /nfs/dbraw/zinc/45/88/06/1030458806.db2.gz XXWBPPLTGDOFPE-FXAWDEMLSA-N 0 3 310.441 3.508 20 30 DHEDHN COC(=O)C1(C#N)CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000824872619 1030667048 /nfs/dbraw/zinc/66/70/48/1030667048.db2.gz VDQVLXSSUMBVKP-UHFFFAOYSA-N 0 3 320.477 3.618 20 30 DHEDHN COC(=O)C1(C#N)CCN(CC[C@H](C)CCC=C(C)C)CC1 ZINC000824872027 1030667207 /nfs/dbraw/zinc/66/72/07/1030667207.db2.gz NKVNZDIOSHRRJI-MRXNPFEDSA-N 0 3 306.450 3.538 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccc(C#N)c(F)c1 ZINC000926918201 1030991464 /nfs/dbraw/zinc/99/14/64/1030991464.db2.gz HIEAGIBXTKBCJK-OLZOCXBDSA-N 0 3 310.372 3.872 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccc(C#N)c(F)c1 ZINC000926918203 1030992523 /nfs/dbraw/zinc/99/25/23/1030992523.db2.gz HIEAGIBXTKBCJK-QWHCGFSZSA-N 0 3 310.372 3.872 20 30 DHEDHN CC(=O)Nc1ccc([C@@H](C)NCc2ccc(C)c(C#N)c2)cc1 ZINC000926963067 1031020505 /nfs/dbraw/zinc/02/05/05/1031020505.db2.gz CIGZAGFKVAFNRK-CQSZACIVSA-N 0 3 307.397 3.676 20 30 DHEDHN Cc1nc(C(C)C)ccc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371886 1031074333 /nfs/dbraw/zinc/07/43/33/1031074333.db2.gz ROCRBJHAZGDUEY-FQEVSTJZSA-N 0 3 323.440 3.551 20 30 DHEDHN C=CCc1cc(OC)cc(CN2CCc3ccsc3C2)c1O ZINC000760286059 1031118834 /nfs/dbraw/zinc/11/88/34/1031118834.db2.gz PPTYWTWTJDHNAM-UHFFFAOYSA-N 0 3 315.438 3.749 20 30 DHEDHN C=CC[C@@H](C)[C@@H](C)NC1(c2ncc(Br)cn2)CCC1 ZINC000927146388 1031120268 /nfs/dbraw/zinc/12/02/68/1031120268.db2.gz WGGVOCQYTNMHBP-VXGBXAGGSA-N 0 3 324.266 3.809 20 30 DHEDHN C=CCCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000359787073 1031138626 /nfs/dbraw/zinc/13/86/26/1031138626.db2.gz CHMRIEBMLLYXJD-SJLPKXTDSA-N 0 3 312.457 3.512 20 30 DHEDHN Cc1nc(NC[C@@H](C)N2CCCC[C@@H]2C)c(Cl)cc1C#N ZINC000359907687 1031189927 /nfs/dbraw/zinc/18/99/27/1031189927.db2.gz XAKSAYOYKDJGTQ-NWDGAFQWSA-N 0 3 306.841 3.590 20 30 DHEDHN CC[C@H](Cc1cn(C)c2ccccc12)NC[C@H](C#N)CCC#N ZINC000871906724 1031379926 /nfs/dbraw/zinc/37/99/26/1031379926.db2.gz FXRMVUDRLOUVJF-DOTOQJQBSA-N 0 3 308.429 3.533 20 30 DHEDHN N#Cc1cccc(CN2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000360668571 1031512017 /nfs/dbraw/zinc/51/20/17/1031512017.db2.gz IBZZYABAQDXDBP-FQEVSTJZSA-N 0 3 304.393 3.580 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](CO)c1ccc(F)cc1 ZINC000360665440 1031512383 /nfs/dbraw/zinc/51/23/83/1031512383.db2.gz XMCVFMLITWWFGB-VQTJNVASSA-N 0 3 324.399 3.788 20 30 DHEDHN C=C[C@H](CC)CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000929472317 1031528756 /nfs/dbraw/zinc/52/87/56/1031528756.db2.gz DAQXKCDLYRGMNK-HUUCEWRRSA-N 0 3 306.475 3.604 20 30 DHEDHN C#C[C@H]1CC[C@H](N[C@@H](c2ccc(OC)cc2)c2ccccn2)CC1 ZINC000872139516 1031532906 /nfs/dbraw/zinc/53/29/06/1031532906.db2.gz KVLMSOHHYXJHII-MDKPJZGXSA-N 0 3 320.436 3.961 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)NC(C)(C)C(=O)c1ccccc1 ZINC001171176575 1031546932 /nfs/dbraw/zinc/54/69/32/1031546932.db2.gz TXCOVIROQYMCTA-OAHLLOKOSA-N 0 3 306.409 3.740 20 30 DHEDHN CC(C)CN(CCC#N)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000929688310 1031576423 /nfs/dbraw/zinc/57/64/23/1031576423.db2.gz NUDRDGNHPPTJFV-CVEARBPZSA-N 0 3 323.481 3.551 20 30 DHEDHN COc1ccc(F)c(F)c1CN[C@H](C)Cc1cccc(C#N)c1 ZINC001171183324 1031593777 /nfs/dbraw/zinc/59/37/77/1031593777.db2.gz DNBPXZDLKVMRRP-GFCCVEGCSA-N 0 3 316.351 3.566 20 30 DHEDHN C[C@@H]1C[C@H](CN2CCC[C@H]2[C@H](C#N)c2ccccc2)C[C@H](C)O1 ZINC000929758580 1031600762 /nfs/dbraw/zinc/60/07/62/1031600762.db2.gz ZKCVRQZCTGYVLQ-QQBOBMDFSA-N 0 3 312.457 3.962 20 30 DHEDHN COc1cccc(OC)c1[C@H](C)N[C@@H](C)Cc1cccc(C#N)c1 ZINC001171192091 1031644241 /nfs/dbraw/zinc/64/42/41/1031644241.db2.gz KGXLVNHEQKXYLG-GJZGRUSLSA-N 0 3 324.424 3.857 20 30 DHEDHN CCc1ncc(CN2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC000897589754 1031658077 /nfs/dbraw/zinc/65/80/77/1031658077.db2.gz WISBICLETDNKJT-UHFFFAOYSA-N 0 3 311.454 3.957 20 30 DHEDHN C#Cc1ccc(CN2CCC3(Cc4ccccc4O3)CC2)cc1 ZINC001144578344 1031718079 /nfs/dbraw/zinc/71/80/79/1031718079.db2.gz AZGCOACFUVUFGE-UHFFFAOYSA-N 0 3 303.405 3.638 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@@H](Sc3ccncc3)C2)cc1 ZINC001144573088 1031721648 /nfs/dbraw/zinc/72/16/48/1031721648.db2.gz APLZVWPZMJPNON-LJQANCHMSA-N 0 3 308.450 3.820 20 30 DHEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1csc(C)n1)C(C)C ZINC000361098662 1031726253 /nfs/dbraw/zinc/72/62/53/1031726253.db2.gz UEJKHYYXGNRRML-YOEHRIQHSA-N 0 3 307.507 3.801 20 30 DHEDHN CC([C@@H](OC(=O)CCCCCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000845877747 1031751812 /nfs/dbraw/zinc/75/18/12/1031751812.db2.gz GNJFGWCOZXEXSD-BLLLJJGKSA-N 0 3 322.336 3.549 20 30 DHEDHN Cc1cccnc1[C@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000897630090 1031754292 /nfs/dbraw/zinc/75/42/92/1031754292.db2.gz QRYLMSHEYATGGL-KBPBESRZSA-N 0 3 312.442 3.534 20 30 DHEDHN C=C(C)CN(C)Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC000930245097 1031754639 /nfs/dbraw/zinc/75/46/39/1031754639.db2.gz RBSWTXXVZABKMV-UHFFFAOYSA-N 0 3 300.377 3.904 20 30 DHEDHN CSc1ccc(CN(C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC000846007067 1031804800 /nfs/dbraw/zinc/80/48/00/1031804800.db2.gz MTXQHVYBJZRRCC-HNNXBMFYSA-N 0 3 318.467 3.507 20 30 DHEDHN Cc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cc1Cl ZINC000846006143 1031804935 /nfs/dbraw/zinc/80/49/35/1031804935.db2.gz GJIPHKYYEHUHMM-GOSISDBHSA-N 0 3 314.816 3.686 20 30 DHEDHN C=C1CCC(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000897730542 1031825470 /nfs/dbraw/zinc/82/54/70/1031825470.db2.gz OXBJPOOBMDMXMK-GDBMZVCRSA-N 0 3 304.434 3.571 20 30 DHEDHN COc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1F ZINC000125675492 1031851483 /nfs/dbraw/zinc/85/14/83/1031851483.db2.gz RLDPMZIJEBZUPO-UHFFFAOYSA-N 0 3 310.372 3.548 20 30 DHEDHN N#CC(C(=O)c1coc2cc(F)ccc21)c1nc2ccccc2[nH]1 ZINC000361655256 1032038215 /nfs/dbraw/zinc/03/82/15/1032038215.db2.gz OLAHMEISTMFDFS-LBPRGKRZSA-N 0 3 319.295 3.938 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1F)C[C@H]1CC=CCC1 ZINC000361677217 1032050893 /nfs/dbraw/zinc/05/08/93/1032050893.db2.gz FKTHYZIJFKRWII-HNNXBMFYSA-N 0 3 302.393 3.502 20 30 DHEDHN CC#CCN[C@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000539259378 1033311317 /nfs/dbraw/zinc/31/13/17/1033311317.db2.gz RGSOXAGBGQRVRN-GOSISDBHSA-N 0 3 309.409 3.601 20 30 DHEDHN CC(C)(C)OC1CC(CCNCc2cc(C#N)cnc2Cl)C1 ZINC000877478913 1033312920 /nfs/dbraw/zinc/31/29/20/1033312920.db2.gz RIVREINKZDVCSU-UHFFFAOYSA-N 0 3 321.852 3.680 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCC2CC(c3ccccc3)C2)c1 ZINC000877504159 1033326915 /nfs/dbraw/zinc/32/69/15/1033326915.db2.gz BFVPWYOLSGZQIW-UHFFFAOYSA-N 0 3 311.816 3.890 20 30 DHEDHN C[C@H](CCCc1cccnc1)NCc1cc(C#N)cnc1Cl ZINC000877583657 1033369465 /nfs/dbraw/zinc/36/94/65/1033369465.db2.gz KZTGGYRBCQLBGN-CYBMUJFWSA-N 0 3 314.820 3.503 20 30 DHEDHN CC(C)c1cc([C@@H]2CCCN(Cc3cc(C#N)cs3)C2)[nH]n1 ZINC000877783729 1033449598 /nfs/dbraw/zinc/44/95/98/1033449598.db2.gz DYVJUABPRDWZLT-CQSZACIVSA-N 0 3 314.458 3.846 20 30 DHEDHN CC(C)c1cc([C@@H]2CCCN(Cc3cc(C#N)cs3)C2)n[nH]1 ZINC000877783729 1033449605 /nfs/dbraw/zinc/44/96/05/1033449605.db2.gz DYVJUABPRDWZLT-CQSZACIVSA-N 0 3 314.458 3.846 20 30 DHEDHN C[NH+]1CCC(c2ccc(Nc3cc(C#N)ccc3[O-])cc2)CC1 ZINC001212690283 1033462005 /nfs/dbraw/zinc/46/20/05/1033462005.db2.gz CBSCHMGBTYJWPK-UHFFFAOYSA-N 0 3 307.397 3.817 20 30 DHEDHN CCCCN(CCC#N)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910878 1033485753 /nfs/dbraw/zinc/48/57/53/1033485753.db2.gz PRRUAKXBXGPAFO-KRWDZBQOSA-N 0 3 315.417 3.858 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN(CCC(C)C)C1CC1)c1ccccc1 ZINC000877966270 1033534248 /nfs/dbraw/zinc/53/42/48/1033534248.db2.gz FRMCDTDFXHRUAM-FQEVSTJZSA-N 0 3 312.457 3.938 20 30 DHEDHN CCC1(C)CCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878031323 1033558497 /nfs/dbraw/zinc/55/84/97/1033558497.db2.gz WHKMRYHVMOEHCF-HXUWFJFHSA-N 0 3 312.457 3.939 20 30 DHEDHN OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC000878277772 1033646430 /nfs/dbraw/zinc/64/64/30/1033646430.db2.gz ZNXJGUXXOHITIV-CBQGHPETSA-N 0 3 317.432 3.553 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1CC[C@@H](C)C(C)(C)C1)c1ccccc1 ZINC000878432828 1033704714 /nfs/dbraw/zinc/70/47/14/1033704714.db2.gz KEMMWHCDJZOELW-UZLBHIALSA-N 0 3 312.457 3.795 20 30 DHEDHN CC1(C#N)CCC(N2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC001173600348 1033788426 /nfs/dbraw/zinc/78/84/26/1033788426.db2.gz BIAVYHAQUIULTP-UHFFFAOYSA-N 0 3 318.424 3.932 20 30 DHEDHN C=CCCCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000479527550 1033791736 /nfs/dbraw/zinc/79/17/36/1033791736.db2.gz NHOBRWIOZZTOFZ-MRXNPFEDSA-N 0 3 320.502 3.994 20 30 DHEDHN C#CC[C@H]1CCCN(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000878761960 1033820499 /nfs/dbraw/zinc/82/04/99/1033820499.db2.gz UDWSOOFIAVUIPT-SOUVJXGZSA-N 0 3 315.379 3.660 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3Cl)C2)o1 ZINC000174446769 1033932450 /nfs/dbraw/zinc/93/24/50/1033932450.db2.gz VJUQHYSUGOBPEJ-CYBMUJFWSA-N 0 3 315.804 3.563 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3ccccc3Cl)CC2)C1 ZINC000339052348 1034007074 /nfs/dbraw/zinc/00/70/74/1034007074.db2.gz OFNBWKYSVYSTRJ-ZIAGYGMSSA-N 0 3 304.821 3.875 20 30 DHEDHN CC(C)Oc1cccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000842154020 1034177619 /nfs/dbraw/zinc/17/76/19/1034177619.db2.gz QMVLAEOUPCLYGI-HXUWFJFHSA-N 0 3 324.424 3.511 20 30 DHEDHN CCCCCCCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000794571055 1034222800 /nfs/dbraw/zinc/22/28/00/1034222800.db2.gz HPRZWUQCPAIQHO-GOSISDBHSA-N 0 3 318.461 3.552 20 30 DHEDHN N#Cc1cccc(CN2Cc3ccccc3N3CCC[C@H]3C2)c1 ZINC000880555485 1034361282 /nfs/dbraw/zinc/36/12/82/1034361282.db2.gz LORUYNNJYKWEBM-IBGZPJMESA-N 0 3 303.409 3.543 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000480712207 1034418071 /nfs/dbraw/zinc/41/80/71/1034418071.db2.gz INPSVSWDRLWEFA-KKXDTOCCSA-N 0 3 304.409 3.942 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000554946811 1034429115 /nfs/dbraw/zinc/42/91/15/1034429115.db2.gz NCZJWXGXEGMBOM-HXUWFJFHSA-N 0 3 304.393 3.528 20 30 DHEDHN CCCCCCCCN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000794742494 1034439087 /nfs/dbraw/zinc/43/90/87/1034439087.db2.gz AYOSLCCSJGOLSY-MRXNPFEDSA-N 0 3 303.512 3.636 20 30 DHEDHN COc1ccc(Nc2cccc3c2OCC[C@@H]3N(C)C)c(C#N)c1 ZINC001212785381 1034480088 /nfs/dbraw/zinc/48/00/88/1034480088.db2.gz QJQIYKFWYYWTMT-SFHVURJKSA-N 0 3 323.396 3.696 20 30 DHEDHN COCC#CCN(Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001174917274 1034680900 /nfs/dbraw/zinc/68/09/00/1034680900.db2.gz XVOYFSNCRBNFLA-UHFFFAOYSA-N 0 3 313.363 3.813 20 30 DHEDHN CC(CN1CCCCCC1)N=Nc1oc(C(C)(C)C)nc1C#N ZINC000777433411 1034705480 /nfs/dbraw/zinc/70/54/80/1034705480.db2.gz DEHXSHNVCOOTEE-UHFFFAOYSA-N 0 3 317.437 3.508 20 30 DHEDHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1Br ZINC000481376743 1034790666 /nfs/dbraw/zinc/79/06/66/1034790666.db2.gz XERHBAUKLKQOEY-NHYWBVRUSA-N 0 3 307.235 3.941 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2ccoc2C)cc1 ZINC000128604287 1034983324 /nfs/dbraw/zinc/98/33/24/1034983324.db2.gz NOTSHUQORGEUNW-KRWDZBQOSA-N 0 3 324.380 3.892 20 30 DHEDHN C=CCCCCCN1CCN(c2ccc(OC)cc2OC)CC1 ZINC001175524744 1035026691 /nfs/dbraw/zinc/02/66/91/1035026691.db2.gz XAWNVVUNSKQLTK-UHFFFAOYSA-N 0 3 318.461 3.572 20 30 DHEDHN C=CCC[C@H](NC(=O)N(CCN(C)C)C(C)C)c1ccccc1 ZINC000159801025 1035089448 /nfs/dbraw/zinc/08/94/48/1035089448.db2.gz MVFBQCTVBOEEBP-SFHVURJKSA-N 0 3 317.477 3.676 20 30 DHEDHN Cc1csc(C(C#N)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000160125029 1035138671 /nfs/dbraw/zinc/13/86/71/1035138671.db2.gz LHXQCYAKJCKWHJ-NSHDSACASA-N 0 3 305.790 3.659 20 30 DHEDHN C(#Cc1ccccc1)CN1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000484062678 1035318170 /nfs/dbraw/zinc/31/81/70/1035318170.db2.gz DEFDNIIUSRXJRO-LJQANCHMSA-N 0 3 315.420 3.552 20 30 DHEDHN COc1cccc2cc(CNCc3ccc(CC#N)cc3)oc21 ZINC001179024435 1035459391 /nfs/dbraw/zinc/45/93/91/1035459391.db2.gz KKROEPPUZYQMFV-UHFFFAOYSA-N 0 3 306.365 3.797 20 30 DHEDHN C[NH+](C)CC[C@H](/N=C\c1cc(Cl)ccc1[O-])c1cccnc1 ZINC000905003215 1035474207 /nfs/dbraw/zinc/47/42/07/1035474207.db2.gz PRMVCJAQKKJLJO-DEFALTHMSA-N 0 3 317.820 3.553 20 30 DHEDHN COC(=O)CC[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000925377077 1035693339 /nfs/dbraw/zinc/69/33/39/1035693339.db2.gz CUQPXTAOFBFOMR-GOEBONIOSA-N 0 3 302.418 3.599 20 30 DHEDHN COc1cc(CCNCc2cccc(F)c2C#N)ccc1Cl ZINC001181970166 1036074519 /nfs/dbraw/zinc/07/45/19/1036074519.db2.gz AJSMNJAFHKPCNL-UHFFFAOYSA-N 0 3 318.779 3.692 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000773975342 1036104498 /nfs/dbraw/zinc/10/44/98/1036104498.db2.gz KKWASMVJQZXQDA-DZGCQCFKSA-N 0 3 300.402 3.715 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000774134409 1036191992 /nfs/dbraw/zinc/19/19/92/1036191992.db2.gz ZIECDAUBIKAAFT-SFHVURJKSA-N 0 3 307.353 3.634 20 30 DHEDHN C#CC[C@@H]1CCCN(C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195464482 1036254194 /nfs/dbraw/zinc/25/41/94/1036254194.db2.gz VNAUSSPIWYXIIB-WBMJQRKESA-N 0 3 312.240 3.762 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775657091 1036258093 /nfs/dbraw/zinc/25/80/93/1036258093.db2.gz GDNYZMFEVXGQFL-QGZVFWFLSA-N 0 3 323.795 3.836 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H]3CCCC[C@@H]32)c(OC(F)F)c1 ZINC001195507751 1036277284 /nfs/dbraw/zinc/27/72/84/1036277284.db2.gz ARRVKLQFYKTQSY-ZFWWWQNUSA-N 0 3 306.356 3.924 20 30 DHEDHN CCOCCON=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000774418777 1036324561 /nfs/dbraw/zinc/32/45/61/1036324561.db2.gz ZHUWQSLELDUNGU-UHFFFAOYSA-N 0 3 304.434 3.844 20 30 DHEDHN C=CCOc1ccccc1CN[C@@H](COC)Cc1ccccc1 ZINC000541586428 1036376298 /nfs/dbraw/zinc/37/62/98/1036376298.db2.gz VUYUYASCAJDTOS-LJQANCHMSA-N 0 3 311.425 3.599 20 30 DHEDHN Cc1ccccc1CC1CN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC001182990832 1036495586 /nfs/dbraw/zinc/49/55/86/1036495586.db2.gz UNNSWJZETGSUSH-UHFFFAOYSA-N 0 3 319.452 3.607 20 30 DHEDHN CC(C)(C)OC(=O)c1cccc(CNCc2cccc(C#N)c2)c1 ZINC000271837680 1036564179 /nfs/dbraw/zinc/56/41/79/1036564179.db2.gz QELUCZLNMBJHQX-UHFFFAOYSA-N 0 3 322.408 3.803 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001197327138 1036758102 /nfs/dbraw/zinc/75/81/02/1036758102.db2.gz ZDGLCOCRVDPFTF-PMACEKPBSA-N 0 3 317.436 3.638 20 30 DHEDHN CC[C@@H]1[C@H](C)CCN1Cc1cc(C#N)ccc1Br ZINC000492844691 1037031865 /nfs/dbraw/zinc/03/18/65/1037031865.db2.gz DRYSKRDCHPTFCW-IAQYHMDHSA-N 0 3 307.235 3.941 20 30 DHEDHN N#CCc1ccc(CNCc2ccc(OCC(F)F)cc2)cc1 ZINC000570212126 1037101312 /nfs/dbraw/zinc/10/13/12/1037101312.db2.gz PIQSCMTUNWIAQG-UHFFFAOYSA-N 0 3 316.351 3.686 20 30 DHEDHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(C#N)cc2)cc1 ZINC000915682387 1037133213 /nfs/dbraw/zinc/13/32/13/1037133213.db2.gz YRAUMUJRWKPDDS-UHFFFAOYSA-N 0 3 302.381 3.547 20 30 DHEDHN CC1(C)CC(N=Nc2ccnc(F)c2)CN1Cc1ccccc1 ZINC000781125361 1037281582 /nfs/dbraw/zinc/28/15/82/1037281582.db2.gz XMZJHUJOAGNZHV-UHFFFAOYSA-N 0 3 312.392 3.673 20 30 DHEDHN COCC#CCN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776008661 1037302566 /nfs/dbraw/zinc/30/25/66/1037302566.db2.gz HMGXTZAHEJESNP-KRWDZBQOSA-N 0 3 309.409 3.605 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000912279958 1037331702 /nfs/dbraw/zinc/33/17/02/1037331702.db2.gz GKYTUXCIKAJFGM-GFCCVEGCSA-N 0 3 300.324 3.636 20 30 DHEDHN Cc1ccc(C2=CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000763231533 1037518394 /nfs/dbraw/zinc/51/83/94/1037518394.db2.gz CFIORWRKZRVVNZ-OAQYLSRUSA-N 0 3 318.420 3.689 20 30 DHEDHN Cc1ccc(C2=CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000763231530 1037519138 /nfs/dbraw/zinc/51/91/38/1037519138.db2.gz CFIORWRKZRVVNZ-NRFANRHFSA-N 0 3 318.420 3.689 20 30 DHEDHN C=C(Br)CN[C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000776173906 1037679413 /nfs/dbraw/zinc/67/94/13/1037679413.db2.gz OXDJBZBNRKOUOB-OAHLLOKOSA-N 0 3 323.278 3.538 20 30 DHEDHN Cc1noc(N=C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1C#N ZINC001201470018 1037689595 /nfs/dbraw/zinc/68/95/95/1037689595.db2.gz JAKYBYAOQGWYHG-SJORKVTESA-N 0 3 320.396 3.587 20 30 DHEDHN C=CCN(Cc1cc(-c2cnn(C)c2)no1)CC1CCCCC1 ZINC000185003397 1037769520 /nfs/dbraw/zinc/76/95/20/1037769520.db2.gz GGFMTPNXIRCPAO-UHFFFAOYSA-N 0 3 314.433 3.643 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000185035684 1037775452 /nfs/dbraw/zinc/77/54/52/1037775452.db2.gz PYGDIWHFFCURJC-SJLPKXTDSA-N 0 3 300.446 3.542 20 30 DHEDHN CCCCCCCCCCCN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001201630922 1037799986 /nfs/dbraw/zinc/79/99/86/1037799986.db2.gz HWZDPAVBSPKVGF-IPMKNSEASA-N 0 3 311.510 3.989 20 30 DHEDHN C#CCN(CC1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000763411203 1037828941 /nfs/dbraw/zinc/82/89/41/1037828941.db2.gz RJYFSJBWCSBBNJ-HNNXBMFYSA-N 0 3 320.230 3.618 20 30 DHEDHN C=CC[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000186081360 1037867104 /nfs/dbraw/zinc/86/71/04/1037867104.db2.gz CSWORMFQFOUUMO-WOJBJXKFSA-N 0 3 322.452 3.765 20 30 DHEDHN N#Cc1ccccc1N1CCCN(C/C=C\c2ccccc2)CC1 ZINC000491078261 1037895176 /nfs/dbraw/zinc/89/51/76/1037895176.db2.gz VGRZFGICBRWRLT-POHAHGRESA-N 0 3 317.436 3.784 20 30 DHEDHN CCCCCCCCCCN1Cc2ccnn2CC[C@@H]1CO ZINC001201875131 1037923355 /nfs/dbraw/zinc/92/33/55/1037923355.db2.gz QGZWRDDLZNJMQM-GOSISDBHSA-N 0 3 307.482 3.590 20 30 DHEDHN CCOC(=O)C1(C#N)CCN(CC[C@H](C)CCC=C(C)C)CC1 ZINC001201981702 1037942576 /nfs/dbraw/zinc/94/25/76/1037942576.db2.gz QUOYCHDANRRGPY-QGZVFWFLSA-N 0 3 320.477 3.928 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)OC(F)(F)O2)c1cccc(C#N)c1 ZINC000586768797 1037958433 /nfs/dbraw/zinc/95/84/33/1037958433.db2.gz OADILJSOZMKPSC-NSHDSACASA-N 0 3 316.307 3.731 20 30 DHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000916876118 1038021681 /nfs/dbraw/zinc/02/16/81/1038021681.db2.gz PGVHLDBHAXZJOJ-BZUAXINKSA-N 0 3 318.461 3.630 20 30 DHEDHN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)Nc2cccc(C)c2)C1(C)C ZINC000916896484 1038025603 /nfs/dbraw/zinc/02/56/03/1038025603.db2.gz INMZOXGEJJAFNT-BBWFWOEESA-N 0 3 324.424 3.881 20 30 DHEDHN CC(C)C(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000916908608 1038042230 /nfs/dbraw/zinc/04/22/30/1038042230.db2.gz NCQJWJCWYWILCG-OAHLLOKOSA-N 0 3 322.364 3.782 20 30 DHEDHN CC(C)(CCC#N)CN1CCN(Cc2ccccc2Cl)CC1 ZINC000127516440 1038192827 /nfs/dbraw/zinc/19/28/27/1038192827.db2.gz GJNUGBCZBJSAGP-UHFFFAOYSA-N 0 3 319.880 3.788 20 30 DHEDHN C#CCCCCCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC001190317282 1038291638 /nfs/dbraw/zinc/29/16/38/1038291638.db2.gz CWTREKYALFRAHY-UHFFFAOYSA-N 0 3 307.441 3.814 20 30 DHEDHN C#CCN(CCc1ccc(F)c(F)c1)Cc1ccc(F)cc1 ZINC001190707361 1038367802 /nfs/dbraw/zinc/36/78/02/1038367802.db2.gz HHRFBOVMUUVUBA-UHFFFAOYSA-N 0 3 303.327 3.782 20 30 DHEDHN N#CCOc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000775407596 1038374003 /nfs/dbraw/zinc/37/40/03/1038374003.db2.gz OTTFSJGUXTZCGE-FQEVSTJZSA-N 0 3 317.392 3.628 20 30 DHEDHN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1C#N ZINC000775414524 1038394245 /nfs/dbraw/zinc/39/42/45/1038394245.db2.gz NGULXNYPXRANAR-IBGZPJMESA-N 0 3 317.392 3.606 20 30 DHEDHN COc1ccc2c(c1F)CC[C@H]2N[C@@H]1CCc2cc(C#N)ccc21 ZINC000588958710 1038410325 /nfs/dbraw/zinc/41/03/25/1038410325.db2.gz JKAMWWUUTAVPLR-QZTJIDSGSA-N 0 3 322.383 3.970 20 30 DHEDHN C[C@@H](c1cccc(F)c1)N1CCCN(c2ccccc2C#N)CC1 ZINC000056284501 1038412320 /nfs/dbraw/zinc/41/23/20/1038412320.db2.gz DYZAPRDCJUDIMM-INIZCTEOSA-N 0 3 323.415 3.971 20 30 DHEDHN CCCCCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC001191082263 1038435382 /nfs/dbraw/zinc/43/53/82/1038435382.db2.gz ZJJIRPSTNXVPMG-UHFFFAOYSA-N 0 3 309.498 3.617 20 30 DHEDHN Cc1cc(C#N)ccc1CN[C@H](c1cccs1)C(C)(C)CO ZINC000589268727 1038456174 /nfs/dbraw/zinc/45/61/74/1038456174.db2.gz RAOJOODDJGPEAM-QGZVFWFLSA-N 0 3 314.454 3.778 20 30 DHEDHN CN(C)c1ccc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000590069184 1038583312 /nfs/dbraw/zinc/58/33/12/1038583312.db2.gz HPSJPJBGJFPCDY-SFHVURJKSA-N 0 3 308.429 3.672 20 30 DHEDHN C[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1cc(Cl)ccc1F ZINC001192575304 1038679593 /nfs/dbraw/zinc/67/95/93/1038679593.db2.gz RGDHUYYTLPZFOM-PIGZYNQJSA-N 0 3 318.779 3.735 20 30 DHEDHN Cc1cc(C)cc([C@@H](O)CN[C@H](CCC#N)c2ccccc2)c1 ZINC000775553087 1038713580 /nfs/dbraw/zinc/71/35/80/1038713580.db2.gz KWSJNRJIEGPMHB-UXHICEINSA-N 0 3 308.425 3.972 20 30 DHEDHN Cc1cc(C)cc([C@H](O)CN[C@@H](CCC#N)c2ccccc2)c1 ZINC000775553088 1038714778 /nfs/dbraw/zinc/71/47/78/1038714778.db2.gz KWSJNRJIEGPMHB-VQTJNVASSA-N 0 3 308.425 3.972 20 30 DHEDHN CCc1cc(CN2CCC(C#N)CC2)c(O)c(C(C)(C)C)c1 ZINC000057824137 1038750067 /nfs/dbraw/zinc/75/00/67/1038750067.db2.gz CGKLBFLQNPDAPP-UHFFFAOYSA-N 0 3 300.446 3.988 20 30 DHEDHN CC[C@@H](OCCNCc1cc(C#N)cs1)c1ccccc1 ZINC000593664167 1038995041 /nfs/dbraw/zinc/99/50/41/1038995041.db2.gz HDLASHFIEJPCJK-QGZVFWFLSA-N 0 3 300.427 3.877 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2SCC)CC1 ZINC000592076640 1039120582 /nfs/dbraw/zinc/12/05/82/1039120582.db2.gz SNENSMIILVFANY-UHFFFAOYSA-N 0 3 318.486 3.569 20 30 DHEDHN Cc1ccc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1C#N ZINC000599387494 1039147051 /nfs/dbraw/zinc/14/70/51/1039147051.db2.gz NPOIATHJHSPCKP-IBGZPJMESA-N 0 3 308.425 3.716 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2Cl)CC1 ZINC000592291723 1039163653 /nfs/dbraw/zinc/16/36/53/1039163653.db2.gz PNMATCNFVVXDBH-UHFFFAOYSA-N 0 3 307.825 3.502 20 30 DHEDHN C=CCN1CCC(NC(=O)/C=C(\C)c2ccccc2Cl)CC1 ZINC000171715264 1039598660 /nfs/dbraw/zinc/59/86/60/1039598660.db2.gz ZEWRMZDNKMESRM-BUHFOSPRSA-N 0 3 318.848 3.510 20 30 DHEDHN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccc(C2CC2)cc1 ZINC000574299986 1039601813 /nfs/dbraw/zinc/60/18/13/1039601813.db2.gz ZZOFHBOVIKANIN-AWEZNQCLSA-N 0 3 319.408 3.725 20 30 DHEDHN CC(C)[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000172020947 1039712258 /nfs/dbraw/zinc/71/22/58/1039712258.db2.gz ZQJFBPYRGSZPFH-BBRMVZONSA-N 0 3 308.381 3.779 20 30 DHEDHN CCCN(C(=O)[C@H](N)CCCCC#N)[C@@H](CC)c1ccccc1 ZINC000594426372 1039789680 /nfs/dbraw/zinc/78/96/80/1039789680.db2.gz CNNXKANRDVVYQA-MSOLQXFVSA-N 0 3 315.461 3.788 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000594427125 1039794755 /nfs/dbraw/zinc/79/47/55/1039794755.db2.gz HIDFFSFVXGWYGY-MSOLQXFVSA-N 0 3 313.445 3.542 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594499346 1039801086 /nfs/dbraw/zinc/80/10/86/1039801086.db2.gz GAPVONRWKKBXIW-QZTJIDSGSA-N 0 3 319.364 3.731 20 30 DHEDHN CCn1nc(C)c(CNCc2ccc(C(C)(C)C#N)cc2)c1C ZINC000594503273 1039803274 /nfs/dbraw/zinc/80/32/74/1039803274.db2.gz UDOPQDRMSTUHPJ-UHFFFAOYSA-N 0 3 310.445 3.611 20 30 DHEDHN N#CCCCCNCc1oc2ccccc2c1Br ZINC000594502479 1039804576 /nfs/dbraw/zinc/80/45/76/1039804576.db2.gz IRXHPGJCWMWLKD-UHFFFAOYSA-N 0 3 307.191 3.979 20 30 DHEDHN CCc1ccc([C@@H]2CCCN(Cc3ccc(C#N)cn3)C2)cc1 ZINC000593987398 1039897551 /nfs/dbraw/zinc/89/75/51/1039897551.db2.gz RQSFVCHLZWUEEY-LJQANCHMSA-N 0 3 305.425 3.895 20 30 DHEDHN C[C@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1cccc(C#N)c1 ZINC000594930354 1039932931 /nfs/dbraw/zinc/93/29/31/1039932931.db2.gz VIEKTOFRKCFDOG-YWZLYKJASA-N 0 3 322.408 3.577 20 30 DHEDHN C=CCCSCCNCc1c(F)cccc1N1CCCC1 ZINC000594959769 1039966194 /nfs/dbraw/zinc/96/61/94/1039966194.db2.gz CTSVSSJUWFDKNR-UHFFFAOYSA-N 0 3 308.466 3.825 20 30 DHEDHN Cc1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)cc1F ZINC000594982234 1040002254 /nfs/dbraw/zinc/00/22/54/1040002254.db2.gz AWUVCDPCGMVLLV-UHFFFAOYSA-N 0 3 324.399 3.801 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2ccc(O)cc21 ZINC000595093233 1040077751 /nfs/dbraw/zinc/07/77/51/1040077751.db2.gz YXORMTSPIMNKDF-VQTJNVASSA-N 0 3 304.393 3.918 20 30 DHEDHN CC(C)(CO)[C@H](NCCC1(C#N)CCCCC1)c1cccnc1 ZINC000595500099 1040154597 /nfs/dbraw/zinc/15/45/97/1040154597.db2.gz PYRLCHDREHETFD-QGZVFWFLSA-N 0 3 315.461 3.595 20 30 DHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C)CC1 ZINC000063308585 1040197754 /nfs/dbraw/zinc/19/77/54/1040197754.db2.gz XPXQNIXIJXERAC-CHWSQXEVSA-N 0 3 319.836 3.661 20 30 DHEDHN N#Cc1c(CN2CCC[C@H]([C@H]3CCCCO3)C2)cn2ccccc12 ZINC000595788344 1040256993 /nfs/dbraw/zinc/25/69/93/1040256993.db2.gz JKAPEWKSNJPZQK-OXJNMPFZSA-N 0 3 323.440 3.592 20 30 DHEDHN CC[C@](C)(NCCCOc1ccc(C#N)cc1)c1nccs1 ZINC000173505609 1040318222 /nfs/dbraw/zinc/31/82/22/1040318222.db2.gz GVMZBOLCBJYFLH-KRWDZBQOSA-N 0 3 315.442 3.699 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCCn2nccc21 ZINC000601321669 1040599814 /nfs/dbraw/zinc/59/98/14/1040599814.db2.gz TWMJJCFCBXEYLR-MSOLQXFVSA-N 0 3 306.413 3.647 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2nccnc2c1 ZINC000602020266 1040857218 /nfs/dbraw/zinc/85/72/18/1040857218.db2.gz OQZQWXTYZHMTTG-GOSISDBHSA-N 0 3 314.392 3.669 20 30 DHEDHN CCN(CC(=O)Nc1c(C)cccc1C)C[C@H](C)CCC#N ZINC000602475593 1041041540 /nfs/dbraw/zinc/04/15/40/1041041540.db2.gz LGCQIWDKKHITPA-CQSZACIVSA-N 0 3 301.434 3.504 20 30 DHEDHN COCCN(Cc1ccc(F)cc1Cl)C[C@@H](C)CCC#N ZINC000602477915 1041049541 /nfs/dbraw/zinc/04/95/41/1041049541.db2.gz YNFKILAVXRBOKA-ZDUSSCGKSA-N 0 3 312.816 3.867 20 30 DHEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC1CCSCC1 ZINC000602485086 1041051978 /nfs/dbraw/zinc/05/19/78/1041051978.db2.gz PRSUFANFEJXOQD-QZTJIDSGSA-N 0 3 300.471 3.901 20 30 DHEDHN Cc1c(CN2CCSCC2)cccc1NC[C@H](C)CCC#N ZINC000602490443 1041056672 /nfs/dbraw/zinc/05/66/72/1041056672.db2.gz JYBRHNLUNBRCMA-OAHLLOKOSA-N 0 3 317.502 3.896 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000602641545 1041127500 /nfs/dbraw/zinc/12/75/00/1041127500.db2.gz SRBDQADHHHFUDC-QZTJIDSGSA-N 0 3 321.428 3.575 20 30 DHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cc(C2CC2)ccc1F ZINC000602675085 1041142986 /nfs/dbraw/zinc/14/29/86/1041142986.db2.gz QQGVUPFFVLNYLR-CQSZACIVSA-N 0 3 316.420 3.892 20 30 DHEDHN N#CCC1(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000602830326 1041246763 /nfs/dbraw/zinc/24/67/63/1041246763.db2.gz CQKQJPXDNHJOCN-UHFFFAOYSA-N 0 3 310.319 3.858 20 30 DHEDHN N#CCC1(CNC2(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000602872787 1041278838 /nfs/dbraw/zinc/27/88/38/1041278838.db2.gz IOPDMRALLMYXAX-UHFFFAOYSA-N 0 3 310.319 3.858 20 30 DHEDHN COc1ccc(C)cc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602913456 1041312755 /nfs/dbraw/zinc/31/27/55/1041312755.db2.gz USMQPQAFBUJQOC-UHFFFAOYSA-N 0 3 321.424 3.650 20 30 DHEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cc(Cl)ccc1Cl ZINC000598602490 1041345670 /nfs/dbraw/zinc/34/56/70/1041345670.db2.gz PCSWWTZWHVEPJY-JQWIXIFHSA-N 0 3 315.244 3.945 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000078973614 185138273 /nfs/dbraw/zinc/13/82/73/185138273.db2.gz PYECMPXWSCUUKQ-UONOGXRCSA-N 0 3 308.381 3.741 20 30 DHEDHN C#Cc1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000284139346 335009894 /nfs/dbraw/zinc/00/98/94/335009894.db2.gz PYRUPAYCNIPOBY-UHFFFAOYSA-N 0 3 318.420 3.519 20 30 DHEDHN C#CCCOc1ccc(CN(C)C[C@H](C)c2nccs2)cc1 ZINC000183262823 335018529 /nfs/dbraw/zinc/01/85/29/335018529.db2.gz BLGQWNONGYBNQR-HNNXBMFYSA-N 0 3 314.454 3.781 20 30 DHEDHN N#Cc1cccc(CN2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000041841278 183221846 /nfs/dbraw/zinc/22/18/46/183221846.db2.gz GWUFTXAEKUOUIH-FQEVSTJZSA-N 0 3 306.409 3.504 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000289259350 335061107 /nfs/dbraw/zinc/06/11/07/335061107.db2.gz MOBWFLSXYRXZAR-UHFFFAOYSA-N 0 3 319.452 3.733 20 30 DHEDHN CCC(CC)[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000272244300 130011897 /nfs/dbraw/zinc/01/18/97/130011897.db2.gz HHUGHVJCQMLJRO-FUHWJXTLSA-N 0 3 304.409 3.771 20 30 DHEDHN CC(=O)c1ccc(C#N)c(NC2CCN(C3CCCC3)CC2)c1 ZINC000273324244 130106486 /nfs/dbraw/zinc/10/64/86/130106486.db2.gz PWHLQHAKAMVNBC-UHFFFAOYSA-N 0 3 311.429 3.580 20 30 DHEDHN COc1ccc([C@@H](C)NCc2cccc(C#N)c2)c(C)c1OC ZINC000285468865 131171597 /nfs/dbraw/zinc/17/15/97/131171597.db2.gz ASKQZIGJZSABFJ-CQSZACIVSA-N 0 3 310.397 3.735 20 30 DHEDHN C[C@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000287019468 131260137 /nfs/dbraw/zinc/26/01/37/131260137.db2.gz LBJUYMVISYRACE-LIRRHRJNSA-N 0 3 311.404 3.651 20 30 DHEDHN C[C@H](NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000290011793 131444411 /nfs/dbraw/zinc/44/44/11/131444411.db2.gz ZWONQCAENWIWQR-BOUXLOLZSA-N 0 3 324.399 3.514 20 30 DHEDHN Cc1sc(NC(=O)CN[C@@H]2CCCCC2(C)C)c(C#N)c1C ZINC000119964795 132138472 /nfs/dbraw/zinc/13/84/72/132138472.db2.gz YYRDAOPLBGGSLG-CQSZACIVSA-N 0 3 319.474 3.734 20 30 DHEDHN C=C[C@@H](CO)N[C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000289802894 335065702 /nfs/dbraw/zinc/06/57/02/335065702.db2.gz OBOZYZBCEVPSAC-LSDHHAIUSA-N 0 3 314.454 3.632 20 30 DHEDHN C=C(CN[C@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000292024299 335085403 /nfs/dbraw/zinc/08/54/03/335085403.db2.gz CQJIHFWXXQCDSC-MRXNPFEDSA-N 0 3 308.425 3.752 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000292181021 335086206 /nfs/dbraw/zinc/08/62/06/335086206.db2.gz HDTQUZVMSCEOMB-OAHLLOKOSA-N 0 3 320.502 3.679 20 30 DHEDHN C#CC[C@H](N[C@@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000292073415 335087734 /nfs/dbraw/zinc/08/77/34/335087734.db2.gz HPFJEQQERPHHMB-JXFKEZNVSA-N 0 3 320.436 3.804 20 30 DHEDHN CCOc1ccc(OCCN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000558737950 331940235 /nfs/dbraw/zinc/94/02/35/331940235.db2.gz PAQXXIRWOZTDKG-OAHLLOKOSA-N 0 3 310.397 3.687 20 30 DHEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000569423688 332080229 /nfs/dbraw/zinc/08/02/29/332080229.db2.gz RMKLNTMUSKFWGV-RBUKOAKNSA-N 0 3 311.425 3.620 20 30 DHEDHN COC[C@H](Cc1ccccc1)N[C@H](CCC#N)c1ccccc1 ZINC000090665502 332092318 /nfs/dbraw/zinc/09/23/18/332092318.db2.gz QWMZVERBIBLTFU-VQTJNVASSA-N 0 3 308.425 3.879 20 30 DHEDHN C=CCN1CC[C@@H](N2CCC[C@H]2c2cccc3ccccc32)C1=O ZINC000410343901 332113540 /nfs/dbraw/zinc/11/35/40/332113540.db2.gz TXUPGODXCNVJAJ-VQTJNVASSA-N 0 3 320.436 3.764 20 30 DHEDHN N#Cc1cccc(OCCCN2CCC(C(F)(F)F)CC2)c1 ZINC000132252214 332123746 /nfs/dbraw/zinc/12/37/46/332123746.db2.gz SPOAWHTVLUVBJO-UHFFFAOYSA-N 0 3 312.335 3.601 20 30 DHEDHN C=C1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000518678016 332125571 /nfs/dbraw/zinc/12/55/71/332125571.db2.gz GSVBDUAMNRELML-QGZVFWFLSA-N 0 3 320.436 3.807 20 30 DHEDHN CC1(C)CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093339804 332137686 /nfs/dbraw/zinc/13/76/86/332137686.db2.gz YGFBURFOKLNASZ-UHFFFAOYSA-N 0 3 308.429 3.696 20 30 DHEDHN C=CCC(C)(C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000410508308 332149447 /nfs/dbraw/zinc/14/94/47/332149447.db2.gz KHTIDOYMAOTOCS-QGZVFWFLSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CC[C@@H](C(=O)NCCN1CCCC[C@H]1CC)c1ccccc1 ZINC000426840740 332156846 /nfs/dbraw/zinc/15/68/46/332156846.db2.gz RDCJOQMIGJUBRT-RTBURBONSA-N 0 3 314.473 3.727 20 30 DHEDHN C#CCCCCNCc1cc(OC)ccc1OCc1ccccn1 ZINC000150733109 332194721 /nfs/dbraw/zinc/19/47/21/332194721.db2.gz SELHVMZAKLEYNP-UHFFFAOYSA-N 0 3 324.424 3.562 20 30 DHEDHN C[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000363691237 332223099 /nfs/dbraw/zinc/22/30/99/332223099.db2.gz RVULYYKALLTKOE-HNNXBMFYSA-N 0 3 316.408 3.810 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Nc2ccccn2)CC1 ZINC000536369029 332232858 /nfs/dbraw/zinc/23/28/58/332232858.db2.gz GASVZMHFEBEANP-HNNXBMFYSA-N 0 3 306.413 3.591 20 30 DHEDHN CCC(CC)CN(CCC#N)C(=O)c1ccc(CN(C)C)cc1 ZINC000104547406 332246545 /nfs/dbraw/zinc/24/65/45/332246545.db2.gz ACMRHLGAYQSGSA-UHFFFAOYSA-N 0 3 315.461 3.540 20 30 DHEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1ccc(C#N)o1 ZINC000367524646 332257275 /nfs/dbraw/zinc/25/72/75/332257275.db2.gz CKXQTADHVWYVLD-AYOQOUSVSA-N 0 3 310.397 3.592 20 30 DHEDHN N#CC1(c2ccccn2)CCN(Cc2cccc3ccoc32)CC1 ZINC000560145057 332314646 /nfs/dbraw/zinc/31/46/46/332314646.db2.gz LUISAPFXPCBEJR-UHFFFAOYSA-N 0 3 317.392 3.885 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc2[nH]cnc2c1 ZINC000560474235 332343521 /nfs/dbraw/zinc/34/35/21/332343521.db2.gz BCVDUMGHPAUIMC-UHFFFAOYSA-N 0 3 307.397 3.760 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccc2nc[nH]c2c1 ZINC000560474235 332343523 /nfs/dbraw/zinc/34/35/23/332343523.db2.gz BCVDUMGHPAUIMC-UHFFFAOYSA-N 0 3 307.397 3.760 20 30 DHEDHN C=CCOc1cccc(CN2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293768091 335113041 /nfs/dbraw/zinc/11/30/41/335113041.db2.gz YHEMHPNYYXCVCN-LJQANCHMSA-N 0 3 313.441 3.642 20 30 DHEDHN C[C@H](CN1CCCCC1)Nc1cccc(Br)c1C#N ZINC000168497436 332571567 /nfs/dbraw/zinc/57/15/67/332571567.db2.gz PXPUWPLKTNCONY-GFCCVEGCSA-N 0 3 322.250 3.607 20 30 DHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cccc([N+](=O)[O-])c1 ZINC000564418930 332637668 /nfs/dbraw/zinc/63/76/68/332637668.db2.gz ICNWSGHQXLUPEO-SGTLLEGYSA-N 0 3 307.353 3.805 20 30 DHEDHN CCN(CCCCCn1c(C)nc2ccccc21)C[C@@H](C)C#N ZINC000463078465 333157292 /nfs/dbraw/zinc/15/72/92/333157292.db2.gz SFPOJVAXTGTQOX-INIZCTEOSA-N 0 3 312.461 3.997 20 30 DHEDHN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(C(F)(F)F)c1 ZINC000185808248 333214621 /nfs/dbraw/zinc/21/46/21/333214621.db2.gz IWAMEGLUUANRJH-YPMHNXCESA-N 0 3 312.335 3.886 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(Br)c(F)c2)C1 ZINC000185815574 333214625 /nfs/dbraw/zinc/21/46/25/333214625.db2.gz ZJIGHFMMLAYVFL-CMPLNLGQSA-N 0 3 311.198 3.760 20 30 DHEDHN N#C[C@H]1CCC[C@H](NC[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC000185839802 333214753 /nfs/dbraw/zinc/21/47/53/333214753.db2.gz JTJCCNFHGOLBOL-MJVIPROJSA-N 0 3 313.228 3.699 20 30 DHEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000185878043 333215248 /nfs/dbraw/zinc/21/52/48/333215248.db2.gz MNUDXSPOTWBJLA-AADNMHCOSA-N 0 3 322.811 3.981 20 30 DHEDHN CC1(C)[C@@H](C(F)(F)F)CCN1CCOc1ccccc1C#N ZINC000318950897 333231634 /nfs/dbraw/zinc/23/16/34/333231634.db2.gz CWMKXILMKLCGHV-AWEZNQCLSA-N 0 3 312.335 3.600 20 30 DHEDHN N#Cc1c(Cl)cccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000393631327 333239831 /nfs/dbraw/zinc/23/98/31/333239831.db2.gz DVVGNLQIVIRDHS-OAHLLOKOSA-N 0 3 311.816 3.898 20 30 DHEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000294963698 335129427 /nfs/dbraw/zinc/12/94/27/335129427.db2.gz MUOBTQAWOJDIHJ-FUHWJXTLSA-N 0 3 314.473 3.710 20 30 DHEDHN CC(C)(CCC#N)CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000190026294 333266876 /nfs/dbraw/zinc/26/68/76/333266876.db2.gz JREZJVBZTALPKM-UHFFFAOYSA-N 0 3 322.399 3.578 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)CCC1 ZINC000364213432 333273523 /nfs/dbraw/zinc/27/35/23/333273523.db2.gz LKBQPBPOGADGLB-HOCLYGCPSA-N 0 3 318.486 3.604 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2cc(F)cc(Br)c2)C1 ZINC000192709629 333291795 /nfs/dbraw/zinc/29/17/95/333291795.db2.gz XPKXELMQKHQBLT-QMTHXVAHSA-N 0 3 311.198 3.760 20 30 DHEDHN COc1ccccc1[C@@H](CN[C@H]1CCC[C@H](C#N)C1)OC(C)C ZINC000193299239 333301290 /nfs/dbraw/zinc/30/12/90/333301290.db2.gz DXXBSLPFLRJLMD-TXPKVOOTSA-N 0 3 316.445 3.833 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000188418202 333366174 /nfs/dbraw/zinc/36/61/74/333366174.db2.gz CCKNEUNDVNQQGQ-JXFKEZNVSA-N 0 3 314.473 3.931 20 30 DHEDHN CC(C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(F)(F)F ZINC000525796430 333396687 /nfs/dbraw/zinc/39/66/87/333396687.db2.gz NXFUTKMMHUISGG-SFYZADRCSA-N 0 3 316.348 3.881 20 30 DHEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000319693126 333397467 /nfs/dbraw/zinc/39/74/67/333397467.db2.gz LJBVUZJINIDIPZ-WMZOPIPTSA-N 0 3 311.429 3.541 20 30 DHEDHN CC[C@@](C)(NCCCC1(C#N)CCOCC1)c1nc(C)cs1 ZINC000337187121 333443056 /nfs/dbraw/zinc/44/30/56/333443056.db2.gz PSNLQLHMXKUEGN-MRXNPFEDSA-N 0 3 321.490 3.767 20 30 DHEDHN CCCOc1ccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000339070609 333508039 /nfs/dbraw/zinc/50/80/39/333508039.db2.gz PJEAKJAPSQTCSJ-SQWLQELKSA-N 0 3 302.418 3.827 20 30 DHEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(F)cc1Br ZINC000320328505 333515910 /nfs/dbraw/zinc/51/59/10/333515910.db2.gz YODFRFYQXXVPPU-ZYHUDNBSSA-N 0 3 316.214 3.566 20 30 DHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(F)cc1Br ZINC000320328502 333515920 /nfs/dbraw/zinc/51/59/20/333515920.db2.gz YODFRFYQXXVPPU-JQWIXIFHSA-N 0 3 316.214 3.566 20 30 DHEDHN CCN(CC)[C@H](CNc1nc2c(cc1C#N)CCC2)c1ccco1 ZINC000343355722 335155061 /nfs/dbraw/zinc/15/50/61/335155061.db2.gz ZWMYXCHZEYNBRJ-QGZVFWFLSA-N 0 3 324.428 3.530 20 30 DHEDHN CC[C@H](C)CN(C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343446964 335165384 /nfs/dbraw/zinc/16/53/84/335165384.db2.gz HXTHPPXOPLANIR-RYUDHWBXSA-N 0 3 307.825 3.517 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@@H](C)[C@@H](OC)C2)ccc1OC ZINC000343445182 335165395 /nfs/dbraw/zinc/16/53/95/335165395.db2.gz PETHDYAHGDHCEB-BEFAXECRSA-N 0 3 319.445 3.507 20 30 DHEDHN C=CCC[C@H](NC[C@@H](CO)c1ccc(OC)cc1)c1ccco1 ZINC000414180288 333909355 /nfs/dbraw/zinc/90/93/55/333909355.db2.gz LUHFZJFUQOKBMS-WMZOPIPTSA-N 0 3 315.413 3.661 20 30 DHEDHN C[C@@H](NCc1ccccc1N(C)C)c1ccc(OCC#N)cc1 ZINC000264229778 333955208 /nfs/dbraw/zinc/95/52/08/333955208.db2.gz ABIOMOQJDDIBHX-OAHLLOKOSA-N 0 3 309.413 3.506 20 30 DHEDHN COc1ccc(CN2CC(C)(C)C[C@@H]2C)cc1OCCCC#N ZINC000414524139 334006796 /nfs/dbraw/zinc/00/67/96/334006796.db2.gz JKXNXVDFMMGAAJ-HNNXBMFYSA-N 0 3 316.445 3.998 20 30 DHEDHN COc1cccc(C2(N[C@H](C)c3ccc(OCC#N)cc3)CC2)c1 ZINC000272313080 334032816 /nfs/dbraw/zinc/03/28/16/334032816.db2.gz UGPQSBNTEFDDQE-OAHLLOKOSA-N 0 3 322.408 3.937 20 30 DHEDHN Cc1ccnc(NC[C@H](c2cccs2)N2CCCC2)c1C#N ZINC000343515063 335173783 /nfs/dbraw/zinc/17/37/83/335173783.db2.gz SYYNMDIIXPKJFM-OAHLLOKOSA-N 0 3 312.442 3.572 20 30 DHEDHN C[C@@H](NCCCC#N)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000273173999 334043845 /nfs/dbraw/zinc/04/38/45/334043845.db2.gz COUDGSDJRBKRQT-ZBFHGGJFSA-N 0 3 320.408 3.728 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2nnc(C)s2)c([O-])c1 ZINC000273453266 334046846 /nfs/dbraw/zinc/04/68/46/334046846.db2.gz DDIKRCIJCVGQJB-MUOOZZNISA-N 0 3 318.446 3.578 20 30 DHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000274574500 334063344 /nfs/dbraw/zinc/06/33/44/334063344.db2.gz BNCXTQFJAFNOLU-SCRDCRAPSA-N 0 3 312.335 3.971 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000274618389 334064086 /nfs/dbraw/zinc/06/40/86/334064086.db2.gz LSMOMBVYSWATQX-JTNHKYCSSA-N 0 3 321.218 3.555 20 30 DHEDHN Cn1c(CNCC(C)(C)CCC#N)nc2cc(Cl)ccc21 ZINC000275041642 334068903 /nfs/dbraw/zinc/06/89/03/334068903.db2.gz HBFSYUKMEAXPET-UHFFFAOYSA-N 0 3 304.825 3.646 20 30 DHEDHN CC(C)c1ccc([C@@H](N)CNC(=O)Nc2cccc(C#N)c2)cc1 ZINC000414688807 334069246 /nfs/dbraw/zinc/06/92/46/334069246.db2.gz FBUXSCDZJTZSAL-SFHVURJKSA-N 0 3 322.412 3.503 20 30 DHEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1F ZINC000275762672 334073038 /nfs/dbraw/zinc/07/30/38/334073038.db2.gz TYBLGLDHURPYCI-NHCYSSNCSA-N 0 3 311.198 3.931 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC[C@H](Oc2ncccc2F)C1 ZINC000278342481 334095401 /nfs/dbraw/zinc/09/54/01/334095401.db2.gz CFRJXWKYXFWHOQ-HNNXBMFYSA-N 0 3 319.424 3.784 20 30 DHEDHN CCC(CC)CN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279207712 334106427 /nfs/dbraw/zinc/10/64/27/334106427.db2.gz BKNAKDCGAQZSNX-SFHVURJKSA-N 0 3 311.429 3.525 20 30 DHEDHN CCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCC1 ZINC000279960357 334113108 /nfs/dbraw/zinc/11/31/08/334113108.db2.gz ICXLZINLBNLSBD-SFHVURJKSA-N 0 3 323.440 3.717 20 30 DHEDHN CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCCC1 ZINC000279989008 334113455 /nfs/dbraw/zinc/11/34/55/334113455.db2.gz IPHQJVZDYPQWJK-SFHVURJKSA-N 0 3 323.440 3.717 20 30 DHEDHN CCC1(CC)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280188602 334114891 /nfs/dbraw/zinc/11/48/91/334114891.db2.gz DQMREHACIVQXMU-GOSISDBHSA-N 0 3 323.440 3.669 20 30 DHEDHN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280445507 334117406 /nfs/dbraw/zinc/11/74/06/334117406.db2.gz NGIBGNLLBGAQLN-FHLIZLRMSA-N 0 3 323.440 3.572 20 30 DHEDHN C=CC[C@H](C)[C@@H](C)NCc1ccncc1OCC(F)(F)F ZINC000343609479 335176950 /nfs/dbraw/zinc/17/69/50/335176950.db2.gz PEZQIKVRNPPCJM-NWDGAFQWSA-N 0 3 302.340 3.713 20 30 DHEDHN C[C@@H](c1ccco1)N(CCCC1(C#N)CCOCC1)C1CC1 ZINC000282132357 334131793 /nfs/dbraw/zinc/13/17/93/334131793.db2.gz YXZWQLJYSDLCFI-HNNXBMFYSA-N 0 3 302.418 3.906 20 30 DHEDHN CC(C)(C#N)CCCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000282436759 334134757 /nfs/dbraw/zinc/13/47/57/334134757.db2.gz JISRXKYOADVUOF-GOSISDBHSA-N 0 3 323.440 3.509 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000284531178 334143792 /nfs/dbraw/zinc/14/37/92/334143792.db2.gz ZZSUIPRUTGOSJD-VCTAVGKDSA-N 0 3 320.234 3.577 20 30 DHEDHN Cn1cc([C@@H](NCCCCC#N)c2ccc(F)c(Cl)c2)cn1 ZINC000366640755 334147093 /nfs/dbraw/zinc/14/70/93/334147093.db2.gz LLBJJTJBUXJADK-INIZCTEOSA-N 0 3 320.799 3.585 20 30 DHEDHN CN(C)c1cc(Cl)cc(Cl)c1CNCCCCC#N ZINC000289403382 334164807 /nfs/dbraw/zinc/16/48/07/334164807.db2.gz AOSZDCMNEBQEGE-UHFFFAOYSA-N 0 3 300.233 3.843 20 30 DHEDHN N#CC1CCC(C[NH2+]Cc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000289837046 334168384 /nfs/dbraw/zinc/16/83/84/334168384.db2.gz MZYYPVTXBZBXIC-UHFFFAOYSA-N 0 3 312.335 3.831 20 30 DHEDHN N#CCCOCCN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000292666338 334190684 /nfs/dbraw/zinc/19/06/84/334190684.db2.gz AUTIELYPLBWZPF-FQEVSTJZSA-N 0 3 306.409 3.716 20 30 DHEDHN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CCOCCC#N ZINC000293482491 334198224 /nfs/dbraw/zinc/19/82/24/334198224.db2.gz MLZOXUDAORMQCT-LLVKDONJSA-N 0 3 301.217 3.916 20 30 DHEDHN C=CCC[C@H](NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000514094535 334272848 /nfs/dbraw/zinc/27/28/48/334272848.db2.gz NOTUQKXJSGWSAO-ZACQAIPSSA-N 0 3 320.477 3.764 20 30 DHEDHN CC[C@@H]1CCCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000295590673 334225551 /nfs/dbraw/zinc/22/55/51/334225551.db2.gz DGWZPCLKRZYIRW-GUDVDZBRSA-N 0 3 323.440 3.573 20 30 DHEDHN C=C(C)[C@H](NC[C@@H](O)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000187784855 334274632 /nfs/dbraw/zinc/27/46/32/334274632.db2.gz BCONYYLCXRSQPA-LPHOPBHVSA-N 0 3 317.379 3.775 20 30 DHEDHN C[C@@H](CCC#N)N(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000298554744 334249862 /nfs/dbraw/zinc/24/98/62/334249862.db2.gz OPRAMPKTZAQCMU-LBPRGKRZSA-N 0 3 300.324 3.752 20 30 DHEDHN C=CCOc1ccccc1CNCc1cccc2c1CCCN2 ZINC000415029294 334260149 /nfs/dbraw/zinc/26/01/49/334260149.db2.gz DPLOUFZFLZCWDT-UHFFFAOYSA-N 0 3 308.425 3.899 20 30 DHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2cnn(C)c2)cc1 ZINC000163947924 334266007 /nfs/dbraw/zinc/26/60/07/334266007.db2.gz KLEXLZUFRFYJKF-KBPBESRZSA-N 0 3 319.836 3.963 20 30 DHEDHN C=CCCN(Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000535014088 334355235 /nfs/dbraw/zinc/35/52/35/334355235.db2.gz LJYSJOSADBEZSI-UHFFFAOYSA-N 0 3 316.493 3.809 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](CC)c1ccc(C)cc1 ZINC000341035062 334403711 /nfs/dbraw/zinc/40/37/11/334403711.db2.gz IGYBCXVYBMIWCJ-SJLPKXTDSA-N 0 3 300.446 3.625 20 30 DHEDHN CC[C@@H](NCCOc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000341996679 334499242 /nfs/dbraw/zinc/49/92/42/334499242.db2.gz HRIJRPAEWFRERO-GOSISDBHSA-N 0 3 316.351 3.956 20 30 DHEDHN COCC1(C#N)CCN(Cc2csc3ccccc23)CC1 ZINC000341991657 334503920 /nfs/dbraw/zinc/50/39/20/334503920.db2.gz OKCUPVUZYHKJND-UHFFFAOYSA-N 0 3 300.427 3.653 20 30 DHEDHN N#Cc1ccc2ncc(CN[C@@H](c3ccccc3)C3CCC3)n2c1 ZINC000342728679 334569485 /nfs/dbraw/zinc/56/94/85/334569485.db2.gz NSCZSVBMOKSMMT-FQEVSTJZSA-N 0 3 316.408 3.837 20 30 DHEDHN C=C(CNC(=O)C[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000416231963 334655700 /nfs/dbraw/zinc/65/57/00/334655700.db2.gz DHKAWVAETBUZOQ-IBGZPJMESA-N 0 3 308.425 3.509 20 30 DHEDHN Cc1cc(CNCc2ccc(Br)s2)ccc1C#N ZINC000443954784 338464220 /nfs/dbraw/zinc/46/42/20/338464220.db2.gz AHWPOLUIQDQWBK-UHFFFAOYSA-N 0 3 321.243 3.981 20 30 DHEDHN Cc1cc(CNCCOc2cccc(Cl)c2)ccc1C#N ZINC000443961875 338464479 /nfs/dbraw/zinc/46/44/79/338464479.db2.gz FRFPWPPRJXVUNE-UHFFFAOYSA-N 0 3 300.789 3.689 20 30 DHEDHN Cc1cc(CNCc2ccccc2-c2cnn(C)c2)ccc1C#N ZINC000443983239 338465414 /nfs/dbraw/zinc/46/54/14/338465414.db2.gz DIEPCCSZPVLOPR-UHFFFAOYSA-N 0 3 316.408 3.557 20 30 DHEDHN COc1cc(C)cc(NC(=O)N[C@@H](C)CN2CCCCC2)c1C ZINC000331138801 334838912 /nfs/dbraw/zinc/83/89/12/334838912.db2.gz LLDCSNBAKFVMNO-AWEZNQCLSA-N 0 3 319.449 3.512 20 30 DHEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000344252197 335232761 /nfs/dbraw/zinc/23/27/61/335232761.db2.gz AYMMKSYLDQBULS-HOTGVXAUSA-N 0 3 323.506 3.785 20 30 DHEDHN N#Cc1ccccc1COc1cccc(CN[C@@H]2CCSC2)c1 ZINC000344758891 335272213 /nfs/dbraw/zinc/27/22/13/335272213.db2.gz LAEPTFXYQDSLEN-GOSISDBHSA-N 0 3 324.449 3.732 20 30 DHEDHN CO[C@@H](c1ccccc1F)[C@H](C)NCc1cc(C#N)cs1 ZINC000345690032 335342135 /nfs/dbraw/zinc/34/21/35/335342135.db2.gz GMLLZGQYOFGQRO-MEDUHNTESA-N 0 3 304.390 3.625 20 30 DHEDHN Cc1sc(CNC(=O)C(C)C#N)nc1-c1ccc(Cl)cc1 ZINC000345767210 335350061 /nfs/dbraw/zinc/35/00/61/335350061.db2.gz QLLMWPMFYXTOJM-SECBINFHSA-N 0 3 319.817 3.548 20 30 DHEDHN C[C@@H](NCc1cccc(-n2ccnc2)c1)c1ccc(C#N)c(F)c1 ZINC000346177226 335378103 /nfs/dbraw/zinc/37/81/03/335378103.db2.gz ILLSAPMHABRLCT-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN C[C@@H](NCc1ccccc1-n1cccn1)c1ccc(C#N)c(F)c1 ZINC000346183003 335378617 /nfs/dbraw/zinc/37/86/17/335378617.db2.gz MREHMCGPASEBSB-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN C[C@@H](NCCSCC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000346129652 335379300 /nfs/dbraw/zinc/37/93/00/335379300.db2.gz LDNJEBDGXSKOHA-SECBINFHSA-N 0 3 306.328 3.643 20 30 DHEDHN C[C@H](NCCSCC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000346129656 335379314 /nfs/dbraw/zinc/37/93/14/335379314.db2.gz LDNJEBDGXSKOHA-VIFPVBQESA-N 0 3 306.328 3.643 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCCCCC1 ZINC000346556075 335415273 /nfs/dbraw/zinc/41/52/73/335415273.db2.gz XNOPUOBGKLTQFU-HNNXBMFYSA-N 0 3 306.475 3.527 20 30 DHEDHN C=C(CN[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000346784083 335440609 /nfs/dbraw/zinc/44/06/09/335440609.db2.gz WMRMDAKGLGVRTC-MRXNPFEDSA-N 0 3 304.397 3.631 20 30 DHEDHN COc1cc([C@H](C)NCc2ccccc2C(C)(C)C#N)ccn1 ZINC000347635643 335512284 /nfs/dbraw/zinc/51/22/84/335512284.db2.gz XOQADPJKZOKHIX-AWEZNQCLSA-N 0 3 309.413 3.742 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(C=C)CC1 ZINC000348162649 335559172 /nfs/dbraw/zinc/55/91/72/335559172.db2.gz COYUYLKNRMPYRF-OAHLLOKOSA-N 0 3 318.486 3.549 20 30 DHEDHN C[C@@H](NCC(C)(C)CCC#N)c1ncc(Br)s1 ZINC000348249118 335567584 /nfs/dbraw/zinc/56/75/84/335567584.db2.gz XVULLMMGECPLKK-SECBINFHSA-N 0 3 316.268 3.886 20 30 DHEDHN Cc1ccc(CN2CCC(C#N)(c3ccccn3)CC2)c(C)c1 ZINC000367072085 335630632 /nfs/dbraw/zinc/63/06/32/335630632.db2.gz MNNZKHOLZXDMQP-UHFFFAOYSA-N 0 3 305.425 3.756 20 30 DHEDHN C=C(C)CN1CCC(Nc2ncc(Cl)cc2Cl)CC1 ZINC000583571403 335737123 /nfs/dbraw/zinc/73/71/23/335737123.db2.gz VAHHCSIVFMHMHZ-UHFFFAOYSA-N 0 3 300.233 3.841 20 30 DHEDHN C=CCC[C@H](NC(=O)NC[C@@H](N)c1ccccc1)c1ccccc1 ZINC000417919319 335854688 /nfs/dbraw/zinc/85/46/88/335854688.db2.gz ZBZIVZHIMZRHAQ-MOPGFXCFSA-N 0 3 323.440 3.693 20 30 DHEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000329813567 336085209 /nfs/dbraw/zinc/08/52/09/336085209.db2.gz CWMVTLMUUHAPHU-GUTXKFCHSA-N 0 3 315.417 3.591 20 30 DHEDHN Cc1nc2c(cccc2C(=O)N[C@H](C)CN2CCC[C@H](C)C2)o1 ZINC000329922322 336095668 /nfs/dbraw/zinc/09/56/68/336095668.db2.gz GFMIDENDMSDKNZ-QWHCGFSZSA-N 0 3 315.417 3.561 20 30 DHEDHN CC[C@H]1CCCCN1CCNC(=O)c1coc(C2CCCC2)n1 ZINC000329955101 336099525 /nfs/dbraw/zinc/09/95/25/336099525.db2.gz OVUNZSFKDWWYAB-HNNXBMFYSA-N 0 3 319.449 3.901 20 30 DHEDHN Cc1c(Cl)cccc1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000330218671 336125580 /nfs/dbraw/zinc/12/55/80/336125580.db2.gz JPCCGXLXFLKGLH-UVBJJODRSA-N 0 3 322.836 3.782 20 30 DHEDHN CC(C)(C)c1ccccc1NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000330257129 336130329 /nfs/dbraw/zinc/13/03/29/336130329.db2.gz LFEOEELVUGTSMW-AEFFLSMTSA-N 0 3 316.445 3.729 20 30 DHEDHN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330271779 336132156 /nfs/dbraw/zinc/13/21/56/336132156.db2.gz WNCHIASFGHIGTQ-ZZCKCESHSA-N 0 3 316.445 3.558 20 30 DHEDHN C[C@@H]1CCC[C@H](NCc2nnc(-c3cccc(C#N)c3)o2)[C@H]1C ZINC000332713722 336179768 /nfs/dbraw/zinc/17/97/68/336179768.db2.gz YQQCHJQBOVEULF-WWGRRREGSA-N 0 3 310.401 3.523 20 30 DHEDHN COC[C@@H](C)N(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000352303340 336211063 /nfs/dbraw/zinc/21/10/63/336211063.db2.gz RRDIKDBXKUMHBZ-MRXNPFEDSA-N 0 3 324.424 3.604 20 30 DHEDHN N#Cc1ccc(CNCCCCOc2ccc(F)cc2)c(F)c1 ZINC000532588072 336256590 /nfs/dbraw/zinc/25/65/90/336256590.db2.gz KVMUEBCSIWPVSW-UHFFFAOYSA-N 0 3 316.351 3.785 20 30 DHEDHN Cc1nc(CCNCc2ccc(C#N)cc2C(F)(F)F)c(C)o1 ZINC000352827476 336265959 /nfs/dbraw/zinc/26/59/59/336265959.db2.gz YQJVVFZDHJQYFF-UHFFFAOYSA-N 0 3 323.318 3.514 20 30 DHEDHN C=C(C)[C@@H](NCCC(C)(C)C(=O)OC)c1ccc(F)c(F)c1 ZINC000526984596 336277425 /nfs/dbraw/zinc/27/74/25/336277425.db2.gz MUQIANMEWXDQIF-OAHLLOKOSA-N 0 3 311.372 3.761 20 30 DHEDHN Cc1cccc(CCNCc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000352857676 336281613 /nfs/dbraw/zinc/28/16/13/336281613.db2.gz ZCNSOLKEFOGKHB-UHFFFAOYSA-N 0 3 319.330 3.613 20 30 DHEDHN CC1(C)SC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000352862962 336282797 /nfs/dbraw/zinc/28/27/97/336282797.db2.gz RGPFHAPWKXZVBT-GFCCVEGCSA-N 0 3 300.349 3.561 20 30 DHEDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(OCC#N)cc1 ZINC000192945865 336285686 /nfs/dbraw/zinc/28/56/86/336285686.db2.gz HLKYDPHXKIAGIA-OAHLLOKOSA-N 0 3 309.413 3.506 20 30 DHEDHN CCN(Cc1ccc(CN(C)C)cc1)c1cccc(F)c1C#N ZINC000301138236 336291790 /nfs/dbraw/zinc/29/17/90/336291790.db2.gz AMPUULZYKKGRIB-UHFFFAOYSA-N 0 3 311.404 3.785 20 30 DHEDHN C[C@H](CNc1ccc(Cl)c(C#N)n1)N(C)Cc1ccccc1 ZINC000301283940 336298586 /nfs/dbraw/zinc/29/85/86/336298586.db2.gz UUCVEYSQQDIVNX-CYBMUJFWSA-N 0 3 314.820 3.539 20 30 DHEDHN CN(C)[C@@H](CNc1c(C#N)cnc2ccccc21)c1cccs1 ZINC000301325024 336300702 /nfs/dbraw/zinc/30/07/02/336300702.db2.gz AGSAFOOWVALZFZ-INIZCTEOSA-N 0 3 322.437 3.883 20 30 DHEDHN N#Cc1ccc(C(F)(F)F)c(N2CCN(C3CCCC3)CC2)c1 ZINC000301734105 336326364 /nfs/dbraw/zinc/32/63/64/336326364.db2.gz UKRFDPNTOFNQLF-UHFFFAOYSA-N 0 3 323.362 3.642 20 30 DHEDHN N#Cc1cccc(C#N)c1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000302889743 336373439 /nfs/dbraw/zinc/37/34/39/336373439.db2.gz OZJJKHMEWMPOGX-IBGZPJMESA-N 0 3 316.408 3.506 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1ccc(OC)c(OCC)c1 ZINC000352935469 336378280 /nfs/dbraw/zinc/37/82/80/336378280.db2.gz ZFFXSSZDSIDLNU-UHFFFAOYSA-N 0 3 315.413 3.918 20 30 DHEDHN N#Cc1ccc(OC2CCN(CCc3ccccc3)CC2)c(F)c1 ZINC000353020455 336380370 /nfs/dbraw/zinc/38/03/70/336380370.db2.gz IILMDYCJGCWNOR-UHFFFAOYSA-N 0 3 324.399 3.783 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1ccc(N2CCCC2)nc1 ZINC000352975519 336380819 /nfs/dbraw/zinc/38/08/19/336380819.db2.gz FJQVOWATZLXPMW-UHFFFAOYSA-N 0 3 311.429 3.506 20 30 DHEDHN C[C@H](NCCC[C@@H]1CCCC[C@H]1O)c1ccc(C#N)cc1F ZINC000305815510 336397084 /nfs/dbraw/zinc/39/70/84/336397084.db2.gz LZUYNEUYIFBAAU-DHSIGJKJSA-N 0 3 304.409 3.679 20 30 DHEDHN COc1cc(CN[C@H]2CSCCc3ccccc32)ccc1C#N ZINC000353612008 336428685 /nfs/dbraw/zinc/42/86/85/336428685.db2.gz QAQMMBMRTMKPHZ-SFHVURJKSA-N 0 3 324.449 3.687 20 30 DHEDHN Cc1cccc2c1OCC[C@H]2N[C@H]1CCc2ccc(C#N)cc21 ZINC000353635936 336430702 /nfs/dbraw/zinc/43/07/02/336430702.db2.gz NZDQKNVDGOLTAH-RBUKOAKNSA-N 0 3 304.393 3.967 20 30 DHEDHN N#CCCC[C@@H](NCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000353916955 336448079 /nfs/dbraw/zinc/44/80/79/336448079.db2.gz SJMFZJYLVUCYMS-GOSISDBHSA-N 0 3 322.408 3.983 20 30 DHEDHN CN(C)Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc1 ZINC000354104019 336459306 /nfs/dbraw/zinc/45/93/06/336459306.db2.gz KUHCGMBMMYLMGD-GOSISDBHSA-N 0 3 321.424 3.774 20 30 DHEDHN C[C@H](NC[C@H](c1ccsc1)N(C)C)c1ccc(C#N)cc1F ZINC000358556575 336634417 /nfs/dbraw/zinc/63/44/17/336634417.db2.gz MMRWEJMBCSQOGB-YVEFUNNKSA-N 0 3 317.433 3.712 20 30 DHEDHN C[C@H](N[C@@H]1CCCC[C@H]1n1cccn1)c1ccc(C#N)cc1F ZINC000358565649 336634791 /nfs/dbraw/zinc/63/47/91/336634791.db2.gz ADTPWOXNOPLTHR-MORSLUCNSA-N 0 3 312.392 3.728 20 30 DHEDHN C[C@@H]1CC(C)(C)CC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000360274125 336706910 /nfs/dbraw/zinc/70/69/10/336706910.db2.gz KANSBUABQHTOGF-CZUORRHYSA-N 0 3 324.428 3.913 20 30 DHEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000360274124 336706970 /nfs/dbraw/zinc/70/69/70/336706970.db2.gz KANSBUABQHTOGF-CJNGLKHVSA-N 0 3 324.428 3.913 20 30 DHEDHN C=CCc1cc(CN[C@@H](C)CC(F)(F)F)cc(OC)c1O ZINC000361741787 336770759 /nfs/dbraw/zinc/77/07/59/336770759.db2.gz GGGRPQSYFNECPE-JTQLQIEISA-N 0 3 303.324 3.560 20 30 DHEDHN C=CCSc1ccccc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000362391517 336795437 /nfs/dbraw/zinc/79/54/37/336795437.db2.gz XIUYJZLHWXNDFR-OAHLLOKOSA-N 0 3 318.486 3.569 20 30 DHEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2NCc2c(F)cccc2Cl)O1 ZINC000369846444 336873039 /nfs/dbraw/zinc/87/30/39/336873039.db2.gz MXKXXMYXBMAYET-YLGOIMDESA-N 0 3 322.811 3.809 20 30 DHEDHN CSCCN[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370327617 336882505 /nfs/dbraw/zinc/88/25/05/336882505.db2.gz RUYPXTOFXVTZMT-NSHDSACASA-N 0 3 303.456 3.695 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](CC)c1ccc(OC)cc1 ZINC000119456420 336890238 /nfs/dbraw/zinc/89/02/38/336890238.db2.gz LMQQJAMWAUUNCP-QAPCUYQASA-N 0 3 318.461 3.549 20 30 DHEDHN CC(C)Cn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418146485 336896983 /nfs/dbraw/zinc/89/69/83/336896983.db2.gz PNLFOIAXRUCLFU-LJQANCHMSA-N 0 3 308.429 3.578 20 30 DHEDHN C#CC[C@@H](NCc1cccc(-c2cnn(C)c2)c1)c1ccccc1 ZINC000372836623 336940983 /nfs/dbraw/zinc/94/09/83/336940983.db2.gz KTDFGHDDEZUOCQ-OAQYLSRUSA-N 0 3 315.420 3.941 20 30 DHEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(-c2cncnc2)cc1 ZINC000373813061 336973622 /nfs/dbraw/zinc/97/36/22/336973622.db2.gz RDZHUXKDASTAHO-KRWDZBQOSA-N 0 3 313.404 3.846 20 30 DHEDHN N#CCCCOc1cccc(CN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000375317599 337007894 /nfs/dbraw/zinc/00/78/94/337007894.db2.gz GRSPHXPFJXEMNI-OALUTQOASA-N 0 3 314.429 3.513 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(F)(c2cccnc2)CC1 ZINC000375364256 337009246 /nfs/dbraw/zinc/00/92/46/337009246.db2.gz WUXHHRUWXZLBHB-OAHLLOKOSA-N 0 3 309.388 3.975 20 30 DHEDHN Cc1cc(C)nc(C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000375704052 337017168 /nfs/dbraw/zinc/01/71/68/337017168.db2.gz ZUWVJMCKCQXSGE-INIZCTEOSA-N 0 3 320.440 3.906 20 30 DHEDHN N#Cc1cccc(CCN[C@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000375837751 337020749 /nfs/dbraw/zinc/02/07/49/337020749.db2.gz HNBWWZQXTYCMNF-SFHVURJKSA-N 0 3 308.429 3.735 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC([C@H]2CCOC2)CC1 ZINC000376342137 337031773 /nfs/dbraw/zinc/03/17/73/337031773.db2.gz VOGKWTVDSLWGLU-SFHVURJKSA-N 0 3 312.457 3.736 20 30 DHEDHN CC[C@@H](NC[C@H]1OCCc2ccccc21)c1ccc(C#N)cc1 ZINC000376479945 337034415 /nfs/dbraw/zinc/03/44/15/337034415.db2.gz WDUQVXRWAYYTRS-WOJBJXKFSA-N 0 3 306.409 3.913 20 30 DHEDHN CC(C)CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCCc2cccnc21 ZINC000376651124 337039121 /nfs/dbraw/zinc/03/91/21/337039121.db2.gz JRNBMLQRKJWKHK-LJQANCHMSA-N 0 3 322.456 3.827 20 30 DHEDHN N#Cc1c(F)ccc(CN[C@H]2CCOC3(CCCC3)C2)c1Cl ZINC000377144284 337047572 /nfs/dbraw/zinc/04/75/72/337047572.db2.gz AAKABYNBSRGNFA-ZDUSSCGKSA-N 0 3 322.811 3.932 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN(C)[C@H]2CCCc3cccnc32)cc1 ZINC000377246815 337049354 /nfs/dbraw/zinc/04/93/54/337049354.db2.gz WRGKWHUGLLMNCT-BEFAXECRSA-N 0 3 321.424 3.882 20 30 DHEDHN CN1CC[C@@H](NCCC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377679599 337058163 /nfs/dbraw/zinc/05/81/63/337058163.db2.gz ZBLGWSDVFHPFFJ-HZPDHXFCSA-N 0 3 323.843 3.754 20 30 DHEDHN CC(C)c1nccn1C[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC000377726303 337059688 /nfs/dbraw/zinc/05/96/88/337059688.db2.gz XDXFHTVLJAIKSA-GOSISDBHSA-N 0 3 308.429 3.543 20 30 DHEDHN CN1CCC[C@H](CNc2cccnc2C#N)[C@@H]1c1cccs1 ZINC000378062138 337065717 /nfs/dbraw/zinc/06/57/17/337065717.db2.gz SLTFLNDTIHQORP-CXAGYDPISA-N 0 3 312.442 3.510 20 30 DHEDHN N#Cc1cccc(CN2CC=C(c3ccnc4[nH]ccc43)CC2)c1 ZINC000378440914 337072716 /nfs/dbraw/zinc/07/27/16/337072716.db2.gz FWZHENYPXWRYFZ-UHFFFAOYSA-N 0 3 314.392 3.724 20 30 DHEDHN COc1cc(C#N)ccc1OCCN(C)[C@H](C)c1ccccc1 ZINC000172647624 337129247 /nfs/dbraw/zinc/12/92/47/337129247.db2.gz SUSBTCFGCJFLIA-OAHLLOKOSA-N 0 3 310.397 3.639 20 30 DHEDHN CC(C)(C#N)CCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000174844958 337144889 /nfs/dbraw/zinc/14/48/89/337144889.db2.gz WUJFIXFDAIJJFA-OAHLLOKOSA-N 0 3 300.402 3.882 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN(C[C@H]2CCOC2)C2CC2)cc1 ZINC000177027945 337154100 /nfs/dbraw/zinc/15/41/00/337154100.db2.gz VWIRKYDVPSSPCJ-OAHLLOKOSA-N 0 3 323.358 3.558 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000582789823 337166812 /nfs/dbraw/zinc/16/68/12/337166812.db2.gz DKJFUVLLDRZTIX-MAUKXSAKSA-N 0 3 322.880 3.704 20 30 DHEDHN N#Cc1ccc(OCCCN2CCC[C@@H]2c2ccncc2)cc1 ZINC000179120170 337167914 /nfs/dbraw/zinc/16/79/14/337167914.db2.gz NNCPYGZBCPFZMX-LJQANCHMSA-N 0 3 307.397 3.559 20 30 DHEDHN C=CCC[C@@H](CO)NCc1cc(Cl)ccc1Br ZINC000321021971 337173110 /nfs/dbraw/zinc/17/31/10/337173110.db2.gz OKBCEIFNFTWWOY-LBPRGKRZSA-N 0 3 318.642 3.519 20 30 DHEDHN Cc1scc(C(=O)C(C#N)c2nc3ccccc3n2C)c1C ZINC000180731552 337177512 /nfs/dbraw/zinc/17/75/12/337177512.db2.gz CBQCTMVLSLRCGH-LBPRGKRZSA-N 0 3 309.394 3.742 20 30 DHEDHN C#CCN1CCC(C(=O)Nc2c(CC=C)cccc2C(C)C)CC1 ZINC000189905904 337283701 /nfs/dbraw/zinc/28/37/01/337283701.db2.gz YXQURSBNVPTBNJ-UHFFFAOYSA-N 0 3 324.468 3.822 20 30 DHEDHN C[C@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(C#N)cc1 ZINC000192940475 337308695 /nfs/dbraw/zinc/30/86/95/337308695.db2.gz CAVPALYSRYVJNH-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN Cc1cccc2c1OC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)C2 ZINC000583782623 337332579 /nfs/dbraw/zinc/33/25/79/337332579.db2.gz UQKBBDSMXMAGDW-CJNGLKHVSA-N 0 3 310.372 3.660 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCc3c2cccc3Br)C1 ZINC000584496648 337350111 /nfs/dbraw/zinc/35/01/11/337350111.db2.gz NKXGWJQKMBAZRV-HFAKWTLXSA-N 0 3 305.219 3.718 20 30 DHEDHN C=CCCCN(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000584652129 337381057 /nfs/dbraw/zinc/38/10/57/337381057.db2.gz JYCJNWGWRILOAG-UHFFFAOYSA-N 0 3 322.452 3.790 20 30 DHEDHN Cc1ccc(-c2nc(CCNCc3ccc(C#N)cc3)co2)cc1 ZINC000105427379 337386713 /nfs/dbraw/zinc/38/67/13/337386713.db2.gz GXTXNTXBQHTQOA-UHFFFAOYSA-N 0 3 317.392 3.854 20 30 DHEDHN N#Cc1ccc(CN2CCC(c3c[nH]c4ncccc34)CC2)s1 ZINC000119967709 337395217 /nfs/dbraw/zinc/39/52/17/337395217.db2.gz GRBTWGSWDYKWMN-UHFFFAOYSA-N 0 3 322.437 3.876 20 30 DHEDHN C=C1CCN(CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000265813722 337633647 /nfs/dbraw/zinc/63/36/47/337633647.db2.gz GAYBXOOYXGTIJQ-UHFFFAOYSA-N 0 3 303.793 3.585 20 30 DHEDHN C=C(Cl)COc1ccc([C@@H](C)NCCn2ccnc2C)cc1 ZINC000268776748 337635420 /nfs/dbraw/zinc/63/54/20/337635420.db2.gz ASOPPWHGDRUCOP-CQSZACIVSA-N 0 3 319.836 3.674 20 30 DHEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)Cn2ccnc2)cc1 ZINC000268859454 337635568 /nfs/dbraw/zinc/63/55/68/337635568.db2.gz YPAABHVJEGOHHQ-HUUCEWRRSA-N 0 3 319.836 3.754 20 30 DHEDHN Cc1c([C@@H](C)NCc2ccc(CC#N)cc2)cnn1C(C)(C)C ZINC000574988634 337670003 /nfs/dbraw/zinc/67/00/03/337670003.db2.gz IOHWJPPPCFTMAT-CQSZACIVSA-N 0 3 310.445 3.863 20 30 DHEDHN Cc1nc(CN)ccc1[C@H](C)Nc1cccc(OCCCC#N)c1 ZINC000423027748 337696205 /nfs/dbraw/zinc/69/62/05/337696205.db2.gz PRBAUQRBIUZQAG-AWEZNQCLSA-N 0 3 324.428 3.704 20 30 DHEDHN Cc1cccc(Oc2ccccc2NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424077057 337731245 /nfs/dbraw/zinc/73/12/45/337731245.db2.gz NFOLYUCSMGCJAD-INIZCTEOSA-N 0 3 323.396 3.747 20 30 DHEDHN N#CC1CCC(CNCc2ccsc2Br)CC1 ZINC000527704077 337757836 /nfs/dbraw/zinc/75/78/36/337757836.db2.gz UNUVFFURWYBAJS-UHFFFAOYSA-N 0 3 313.264 3.930 20 30 DHEDHN COc1ccc([C@H](N[C@@H](C)c2ccc(C#N)cc2)C2CC2)cn1 ZINC000528044170 337785783 /nfs/dbraw/zinc/78/57/83/337785783.db2.gz RTEASGVWNOROIA-ORAYPTAESA-N 0 3 307.397 3.764 20 30 DHEDHN COc1ccc([C@H](N[C@H](C)c2ccc(C#N)cc2)C2CC2)cn1 ZINC000528044168 337785855 /nfs/dbraw/zinc/78/58/55/337785855.db2.gz RTEASGVWNOROIA-BFUOFWGJSA-N 0 3 307.397 3.764 20 30 DHEDHN CCC(CC)(CNCc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000424185678 337801945 /nfs/dbraw/zinc/80/19/45/337801945.db2.gz HBDMNMUHCNCECT-UHFFFAOYSA-N 0 3 322.474 3.857 20 30 DHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000424316845 337819792 /nfs/dbraw/zinc/81/97/92/337819792.db2.gz BNCXTQFJAFNOLU-MBNYWOFBSA-N 0 3 312.335 3.971 20 30 DHEDHN COc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1OC(F)F ZINC000424336328 337822620 /nfs/dbraw/zinc/82/26/20/337822620.db2.gz XQLOTCDHHHBTBE-GMXVVIOVSA-N 0 3 310.344 3.639 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000216621119 337903189 /nfs/dbraw/zinc/90/31/89/337903189.db2.gz UUPCDVNOINFVBK-MRXNPFEDSA-N 0 3 310.441 3.915 20 30 DHEDHN C=CCOc1ccc(CNCCOCC2CCC2)cc1Cl ZINC000514786459 337970915 /nfs/dbraw/zinc/97/09/15/337970915.db2.gz JNPAGZPJILQBDB-UHFFFAOYSA-N 0 3 309.837 3.811 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000516301092 338010098 /nfs/dbraw/zinc/01/00/98/338010098.db2.gz JMLKVQDSMVYVJP-ZBFHGGJFSA-N 0 3 322.880 3.704 20 30 DHEDHN CC(C)c1nnc(CCN[C@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000426297859 338025201 /nfs/dbraw/zinc/02/52/01/338025201.db2.gz FHYHNTVKSHMHIT-LLVKDONJSA-N 0 3 318.421 3.566 20 30 DHEDHN C=CCN(C)Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000428367925 338049097 /nfs/dbraw/zinc/04/90/97/338049097.db2.gz AROIVPCHBWWUDT-UHFFFAOYSA-N 0 3 321.424 3.840 20 30 DHEDHN C=CCC[C@@H](N[C@H]1COc2cc(OC)ccc2C1)c1ccco1 ZINC000428466441 338053862 /nfs/dbraw/zinc/05/38/62/338053862.db2.gz VRZLVHOGSVCZDL-NVXWUHKLSA-N 0 3 313.397 3.889 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1ccc(Cl)c2cccnc12 ZINC000429706254 338087899 /nfs/dbraw/zinc/08/78/99/338087899.db2.gz CPEKTKBZFFKIKG-UHFFFAOYSA-N 0 3 317.864 3.828 20 30 DHEDHN Cc1cc(F)ccc1C1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000430108232 338097280 /nfs/dbraw/zinc/09/72/80/338097280.db2.gz ZOBYQTCJYGZLIR-UHFFFAOYSA-N 0 3 311.404 3.724 20 30 DHEDHN COc1cc([C@@H](C)NCC2(CC#N)CC2)ccc1OC(F)F ZINC000430727662 338112538 /nfs/dbraw/zinc/11/25/38/338112538.db2.gz ZDMGUWLMPAYNHA-LLVKDONJSA-N 0 3 310.344 3.641 20 30 DHEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000430751115 338113689 /nfs/dbraw/zinc/11/36/89/338113689.db2.gz SIXUGAIMXJMLNQ-LBPRGKRZSA-N 0 3 312.335 3.972 20 30 DHEDHN CN(C(=O)CN[C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433011718 338176138 /nfs/dbraw/zinc/17/61/38/338176138.db2.gz GWBQHJKGFKMEPD-LJQANCHMSA-N 0 3 321.424 3.674 20 30 DHEDHN Cc1ccc(CN(C)C(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433102750 338181869 /nfs/dbraw/zinc/18/18/69/338181869.db2.gz HHEVNZBMDFLVLO-LJQANCHMSA-N 0 3 306.409 3.726 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccccc1Cl ZINC000433107597 338182083 /nfs/dbraw/zinc/18/20/83/338182083.db2.gz ZLCQEJLMIWAPII-HNNXBMFYSA-N 0 3 312.800 3.729 20 30 DHEDHN CN(C)[C@H]1CCOc2c(NCc3cccc(C#N)c3)cccc21 ZINC000433204155 338185671 /nfs/dbraw/zinc/18/56/71/338185671.db2.gz FDOZIBXDGAKGAW-SFHVURJKSA-N 0 3 307.397 3.556 20 30 DHEDHN C=CCN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000433282554 338189179 /nfs/dbraw/zinc/18/91/79/338189179.db2.gz MRVLOFQRZDOEJF-UHFFFAOYSA-N 0 3 319.408 3.575 20 30 DHEDHN C[C@H](Cc1ccccc1F)NC(=O)C(C#N)CCc1ccccc1 ZINC000433306835 338190878 /nfs/dbraw/zinc/19/08/78/338190878.db2.gz SHQPBPMTSAFALZ-QAPCUYQASA-N 0 3 324.399 3.645 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NC1(c2ccccc2F)CC1 ZINC000433344158 338193400 /nfs/dbraw/zinc/19/34/00/338193400.db2.gz QMAMCNUIQRKQOQ-INIZCTEOSA-N 0 3 322.383 3.704 20 30 DHEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@H]1c1ccccc1 ZINC000433369833 338193922 /nfs/dbraw/zinc/19/39/22/338193922.db2.gz AGSCKNHBTOSEFV-NSISKUIASA-N 0 3 318.420 3.979 20 30 DHEDHN CCS[C@@H]1CCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000433371165 338194017 /nfs/dbraw/zinc/19/40/17/338194017.db2.gz CIYOARPDUSVUQU-GVDBMIGSSA-N 0 3 316.470 3.549 20 30 DHEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000434383276 338215494 /nfs/dbraw/zinc/21/54/94/338215494.db2.gz KZGZGXHRPMLECB-GJZGRUSLSA-N 0 3 308.381 3.602 20 30 DHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc2ccc(F)cc2s1 ZINC000435732959 338246807 /nfs/dbraw/zinc/24/68/07/338246807.db2.gz SMYOULSLRXCMBH-BDJLRTHQSA-N 0 3 306.406 3.506 20 30 DHEDHN C=CCN(C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000154772457 338252335 /nfs/dbraw/zinc/25/23/35/338252335.db2.gz OGMIXVGGHUOGPO-UHFFFAOYSA-N 0 3 304.397 3.552 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000436304717 338267944 /nfs/dbraw/zinc/26/79/44/338267944.db2.gz YZMABWDAPHZNGU-NHCYSSNCSA-N 0 3 320.380 3.794 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]2C2CCC2)c(OC(F)F)c1 ZINC000437141744 338302540 /nfs/dbraw/zinc/30/25/40/338302540.db2.gz LNHXQOVAHRKQKF-HNNXBMFYSA-N 0 3 306.356 3.924 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000438086742 338330692 /nfs/dbraw/zinc/33/06/92/338330692.db2.gz UZKNTWRWRTXPBV-KRWDZBQOSA-N 0 3 324.399 3.771 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C(C)C)C1 ZINC000438486382 338345866 /nfs/dbraw/zinc/34/58/66/338345866.db2.gz PELNVWNFNBPHIS-JKSUJKDBSA-N 0 3 320.502 3.629 20 30 DHEDHN FC(F)(F)Oc1ccc(C#CCN2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000438533254 338347165 /nfs/dbraw/zinc/34/71/65/338347165.db2.gz QISDXNVVFCNZQP-GASCZTMLSA-N 0 3 309.331 3.669 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@H](C)C1(C)CC1)C(C)C ZINC000439178456 338363354 /nfs/dbraw/zinc/36/33/54/338363354.db2.gz OYCZMILDJCKECD-SJORKVTESA-N 0 3 321.509 3.515 20 30 DHEDHN C=CCC[C@H](O)CN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439325776 338367224 /nfs/dbraw/zinc/36/72/24/338367224.db2.gz SNTUWHBDCXDKOE-INIZCTEOSA-N 0 3 311.828 3.928 20 30 DHEDHN N#C[C@H]1CC[C@H](NCCc2nc3cc(Cl)ccc3s2)C1 ZINC000442813240 338433193 /nfs/dbraw/zinc/43/31/93/338433193.db2.gz GKDZHDFFRVMRQG-JQWIXIFHSA-N 0 3 305.834 3.774 20 30 DHEDHN Cc1c([C@@H](C)NCC2CCC(C#N)CC2)nnn1-c1ccccc1 ZINC000442867734 338436251 /nfs/dbraw/zinc/43/62/51/338436251.db2.gz MGWWYXZGWHWMFU-ODIFPOPNSA-N 0 3 323.444 3.556 20 30 DHEDHN Cc1cc(CN2CCC(Oc3cccc(C#N)c3)CC2)cs1 ZINC000449014827 338583458 /nfs/dbraw/zinc/58/34/58/338583458.db2.gz JSSONVNQDMRIMJ-UHFFFAOYSA-N 0 3 312.438 3.972 20 30 DHEDHN N#CCC1(CNCc2cnc(-c3ccccc3F)s2)CC1 ZINC000449298192 338610686 /nfs/dbraw/zinc/61/06/86/338610686.db2.gz GQYXMPZJUZHEKF-UHFFFAOYSA-N 0 3 301.390 3.733 20 30 DHEDHN CC[C@@H](C)[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)OC ZINC000449400769 338620924 /nfs/dbraw/zinc/62/09/24/338620924.db2.gz CYRBNLZDOFJVCN-ABAIWWIYSA-N 0 3 314.351 3.728 20 30 DHEDHN C=CCOc1ccc(CNCc2cc(C)cs2)cc1OC ZINC000449480967 338629326 /nfs/dbraw/zinc/62/93/26/338629326.db2.gz QCISALHEBKDNFY-UHFFFAOYSA-N 0 3 303.427 3.920 20 30 DHEDHN C=CC(C)(C)CNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000449485178 338629737 /nfs/dbraw/zinc/62/97/37/338629737.db2.gz KTWRBZADWAKMSZ-UHFFFAOYSA-N 0 3 316.426 3.841 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccc(F)cc2C)o1 ZINC000449516780 338633890 /nfs/dbraw/zinc/63/38/90/338633890.db2.gz CDMHCJSMSWEOMT-SJORKVTESA-N 0 3 301.361 3.827 20 30 DHEDHN N#Cc1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000449766793 338651055 /nfs/dbraw/zinc/65/10/55/338651055.db2.gz OQRFPSVFUVORMH-KRWDZBQOSA-N 0 3 312.438 3.613 20 30 DHEDHN Clc1cccc(C#CCN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000450866690 338709394 /nfs/dbraw/zinc/70/93/94/338709394.db2.gz TYYSXWUAYVJSHK-RCCFBDPRSA-N 0 3 315.844 3.629 20 30 DHEDHN Clc1cccc(C#CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000450866685 338709408 /nfs/dbraw/zinc/70/94/08/338709408.db2.gz TYYSXWUAYVJSHK-KURKYZTESA-N 0 3 315.844 3.629 20 30 DHEDHN N#C[C@@H]1CCC[C@@H]1NCCCc1ccccc1Br ZINC000459482058 339031818 /nfs/dbraw/zinc/03/18/18/339031818.db2.gz QRMUMJBSRRILSC-ZFWWWQNUSA-N 0 3 307.235 3.664 20 30 DHEDHN C=C(C)CC[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459589985 339037411 /nfs/dbraw/zinc/03/74/11/339037411.db2.gz YRMJLXYBZBHCLD-UHFFFAOYSA-N 0 3 314.223 3.609 20 30 DHEDHN C[C@@H]1CCCC[C@@]1(C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000459620383 339038850 /nfs/dbraw/zinc/03/88/50/339038850.db2.gz WCSQTEUOJMABSY-FZKQIMNGSA-N 0 3 310.401 3.667 20 30 DHEDHN C[C@H]1CCCC[C@]1(C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000459620385 339038861 /nfs/dbraw/zinc/03/88/61/339038861.db2.gz WCSQTEUOJMABSY-UGSOOPFHSA-N 0 3 310.401 3.667 20 30 DHEDHN Cc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1Br ZINC000459667076 339041853 /nfs/dbraw/zinc/04/18/53/339041853.db2.gz RTEKKQVZRYCXTJ-OCCSQVGLSA-N 0 3 307.235 3.930 20 30 DHEDHN CCOc1cc(CNCC(C)(C)CC#N)cc(Cl)c1OC ZINC000459684463 339042994 /nfs/dbraw/zinc/04/29/94/339042994.db2.gz CZTYSBTYOOSFOW-UHFFFAOYSA-N 0 3 310.825 3.777 20 30 DHEDHN C=CCOc1ccc(CNC[C@H](C)Oc2ccccc2F)cc1 ZINC000462735293 339085753 /nfs/dbraw/zinc/08/57/53/339085753.db2.gz PPNDVLKVCXWJRB-HNNXBMFYSA-N 0 3 315.388 3.948 20 30 DHEDHN COc1ccc2c(c1)CCC[C@@H]2CNCc1ccc(C#N)cc1F ZINC000464083570 339133760 /nfs/dbraw/zinc/13/37/60/339133760.db2.gz DHZOOMMVDUPDEY-MRXNPFEDSA-N 0 3 324.399 3.916 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000464527755 339144308 /nfs/dbraw/zinc/14/43/08/339144308.db2.gz RQDXEPFWEHTHDD-APWZRJJASA-N 0 3 314.473 3.542 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466440835 339205144 /nfs/dbraw/zinc/20/51/44/339205144.db2.gz JGLLDZGIXDKGEY-IEBWSBKVSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCCN(C)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000467377987 339235392 /nfs/dbraw/zinc/23/53/92/339235392.db2.gz QKKDXTDTLSOUPF-INIZCTEOSA-N 0 3 309.837 3.906 20 30 DHEDHN COC[C@H](NCCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000467434700 339238367 /nfs/dbraw/zinc/23/83/67/339238367.db2.gz VYFSFRYMIOBZNH-SFHVURJKSA-N 0 3 314.816 3.731 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000467519124 339240953 /nfs/dbraw/zinc/24/09/53/339240953.db2.gz PRIRUWFAPRGBIL-QUCCMNQESA-N 0 3 314.473 3.542 20 30 DHEDHN CCCN(Cc1cc(F)ccc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000469279891 339284958 /nfs/dbraw/zinc/28/49/58/339284958.db2.gz XVPGIXWGDPLSID-KSZLIROESA-N 0 3 316.420 3.723 20 30 DHEDHN CCN(c1ccccc1)c1ccc(CNC(=O)C(C)C#N)cc1 ZINC000469623245 339294706 /nfs/dbraw/zinc/29/47/06/339294706.db2.gz UQKYJSFAZOROCO-HNNXBMFYSA-N 0 3 307.397 3.620 20 30 DHEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000470600184 339322963 /nfs/dbraw/zinc/32/29/63/339322963.db2.gz GZYNOIBTHUPAMY-FZMZJTMJSA-N 0 3 310.319 3.919 20 30 DHEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCC2CCCCC2)cc1 ZINC000470811137 339328731 /nfs/dbraw/zinc/32/87/31/339328731.db2.gz LWEVLNNDGWAKSL-IBGZPJMESA-N 0 3 323.440 3.717 20 30 DHEDHN CSc1ccccc1CN(C)CCOc1ccc(C#N)cc1 ZINC000471005878 339334243 /nfs/dbraw/zinc/33/42/43/339334243.db2.gz LZOASZHHJHICKQ-UHFFFAOYSA-N 0 3 312.438 3.791 20 30 DHEDHN C[C@H](N[C@H]1CCCC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000472609495 339375171 /nfs/dbraw/zinc/37/51/71/339375171.db2.gz JVQQMQDFMDXNGT-NHYWBVRUSA-N 0 3 319.836 3.707 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000483765974 339674315 /nfs/dbraw/zinc/67/43/15/339674315.db2.gz SDFIQUKMNHOABB-RDJZCZTQSA-N 0 3 321.509 3.541 20 30 DHEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000487988977 339767719 /nfs/dbraw/zinc/76/77/19/339767719.db2.gz OTACLBIKOMDQFS-CYBMUJFWSA-N 0 3 300.789 3.941 20 30 DHEDHN C[C@@H](NCCOc1ccccc1C#N)c1cccc(Cl)c1 ZINC000488056323 339769213 /nfs/dbraw/zinc/76/92/13/339769213.db2.gz UNYQDUOWQSSZIM-CYBMUJFWSA-N 0 3 300.789 3.941 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000495063631 339972163 /nfs/dbraw/zinc/97/21/63/339972163.db2.gz HEDGMVJVASEQTJ-JXFKEZNVSA-N 0 3 311.425 3.559 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C)cc1C)C(C)C ZINC000495964601 339995669 /nfs/dbraw/zinc/99/56/69/339995669.db2.gz DJHAGVPCJXBDJA-IBGZPJMESA-N 0 3 314.473 3.732 20 30 DHEDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCCCC(C)(C)C#N ZINC000496404734 340004715 /nfs/dbraw/zinc/00/47/15/340004715.db2.gz WEOKWJIEPSDDJB-GJZGRUSLSA-N 0 3 323.481 3.694 20 30 DHEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000499584180 340040014 /nfs/dbraw/zinc/04/00/14/340040014.db2.gz REZKMNWRMYCCNK-RTBURBONSA-N 0 3 312.457 3.734 20 30 DHEDHN C=CC[C@H](CC)N[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000500813122 340067635 /nfs/dbraw/zinc/06/76/35/340067635.db2.gz UOEDRYPUQCTUMV-VQTJNVASSA-N 0 3 322.452 3.988 20 30 DHEDHN COc1cc(C#N)ccc1CN(CCc1ccc(F)cc1)C1CC1 ZINC000501201050 340076125 /nfs/dbraw/zinc/07/61/25/340076125.db2.gz DYTWEAJQKDBUQP-UHFFFAOYSA-N 0 3 324.399 3.913 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cccc(C)c1)C(C)C ZINC000503443385 340128440 /nfs/dbraw/zinc/12/84/40/340128440.db2.gz WQLZRHJFEQYOEX-SFHVURJKSA-N 0 3 315.461 3.815 20 30 DHEDHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000504992768 340158140 /nfs/dbraw/zinc/15/81/40/340158140.db2.gz VPSRVUQYSYPFCB-WBVHZDCISA-N 0 3 302.462 3.705 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N(CCN(C)C)C(C)C ZINC000505004949 340158544 /nfs/dbraw/zinc/15/85/44/340158544.db2.gz HOMBSIKLBKFPAL-UHFFFAOYSA-N 0 3 303.450 3.609 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000507896387 340235419 /nfs/dbraw/zinc/23/54/19/340235419.db2.gz SDZLVFPRCLGHCY-CVEARBPZSA-N 0 3 324.424 3.820 20 30 DHEDHN C=CCN(Cc1ccc2c(c1)NC(=O)CO2)CC1CCCCC1 ZINC000508551264 340246292 /nfs/dbraw/zinc/24/62/92/340246292.db2.gz JRXBDTWOTNINJW-UHFFFAOYSA-N 0 3 314.429 3.586 20 30 DHEDHN C=CCCCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508891600 340255342 /nfs/dbraw/zinc/25/53/42/340255342.db2.gz HNBSCCLPIQTCJU-SJLPKXTDSA-N 0 3 317.477 3.594 20 30 DHEDHN C=C(C)CN(CC)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508902820 340255661 /nfs/dbraw/zinc/25/56/61/340255661.db2.gz XBECENMHXKTWGJ-WMZOPIPTSA-N 0 3 317.477 3.594 20 30 DHEDHN C=C(CC)CN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510616169 340304007 /nfs/dbraw/zinc/30/40/07/340304007.db2.gz FEZLLSHTXVXNOZ-IBGZPJMESA-N 0 3 314.473 3.556 20 30 DHEDHN C=C(C)CCN(CCOC)Cc1ccc(Br)s1 ZINC000510761213 340310125 /nfs/dbraw/zinc/31/01/25/340310125.db2.gz FXBYJTITEWEEGM-UHFFFAOYSA-N 0 3 318.280 3.925 20 30 DHEDHN C[C@@H](N[C@H]1CCc2ccccc2OC1)c1ccc(C#N)cc1F ZINC000511007642 340318076 /nfs/dbraw/zinc/31/80/76/340318076.db2.gz BSIHCCWLCVBFKQ-CJNGLKHVSA-N 0 3 310.372 3.742 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC000511141616 340322214 /nfs/dbraw/zinc/32/22/14/340322214.db2.gz CIKUWRXWZSNEMY-KRWDZBQOSA-N 0 3 306.494 3.750 20 30 DHEDHN C=CCOc1ccc(CN(C)C[C@@H]2CCCCO2)cc1Cl ZINC000511638980 340333503 /nfs/dbraw/zinc/33/35/03/340333503.db2.gz CTOIYJKDDWJSEX-HNNXBMFYSA-N 0 3 309.837 3.906 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H]2CCCC[C@H]2C)CC1 ZINC000512059482 340347142 /nfs/dbraw/zinc/34/71/42/340347142.db2.gz QOJIJBLZPPTXKO-IAGOWNOFSA-N 0 3 321.509 3.543 20 30 DHEDHN COc1ccccc1C[C@@H]1CCCN1Cc1cccc(C#N)c1F ZINC000512405353 340360706 /nfs/dbraw/zinc/36/07/06/340360706.db2.gz YTAKTVDRZOINQS-SFHVURJKSA-N 0 3 324.399 3.913 20 30 DHEDHN N#Cc1cccc(CNCCn2ccc3cc(Cl)ccc32)c1 ZINC000512501839 340364409 /nfs/dbraw/zinc/36/44/09/340364409.db2.gz QDESBDXGAOHHSD-UHFFFAOYSA-N 0 3 309.800 3.956 20 30 DHEDHN CCC1(CC)[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C[C@H]1OC ZINC000512620386 340369383 /nfs/dbraw/zinc/36/93/83/340369383.db2.gz QFBKXAJLTKNITI-JCURWCKSSA-N 0 3 304.409 3.942 20 30 DHEDHN C[C@@H](NCCN1c2ccccc2C[C@H]1C)c1ccc(C#N)cc1F ZINC000512640780 340370481 /nfs/dbraw/zinc/37/04/81/340370481.db2.gz ANLAIADUAJOJNH-HUUCEWRRSA-N 0 3 323.415 3.799 20 30 DHEDHN C[C@H](N[C@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000512640982 340370484 /nfs/dbraw/zinc/37/04/84/340370484.db2.gz CBYXSJRGIRZUHI-JDFRZJQESA-N 0 3 304.409 3.942 20 30 DHEDHN C[C@H](N[C@H]1CCOC2(CCCC2)C1)c1ccc(C#N)cc1F ZINC000512640935 340370488 /nfs/dbraw/zinc/37/04/88/340370488.db2.gz BNKIEAAGHNLCLM-ZFWWWQNUSA-N 0 3 302.393 3.840 20 30 DHEDHN C[C@H](NCCOc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512649945 340370970 /nfs/dbraw/zinc/37/09/70/340370970.db2.gz VTNHWCAXTUWRAH-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN C[C@@H](NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512652540 340371113 /nfs/dbraw/zinc/37/11/13/340371113.db2.gz AHCFNDJYMODLOL-WBVHZDCISA-N 0 3 323.415 3.874 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](COC(F)F)C1 ZINC000512826749 340379527 /nfs/dbraw/zinc/37/95/27/340379527.db2.gz GLOFEDRMHCOTDA-ZDUSSCGKSA-N 0 3 308.372 3.549 20 30 DHEDHN C=CCOc1ccc(CN[C@H](C)c2ccc3n[nH]cc3c2)cc1 ZINC000513021899 340389042 /nfs/dbraw/zinc/38/90/42/340389042.db2.gz LSXMABMEDQXRNA-CQSZACIVSA-N 0 3 307.397 3.979 20 30 DHEDHN CCC[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000193630900 340580540 /nfs/dbraw/zinc/58/05/40/340580540.db2.gz ICRKTFXFHIYWAB-OAHLLOKOSA-N 0 3 313.426 3.689 20 30 DHEDHN COCC(C)(C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905731 340851998 /nfs/dbraw/zinc/85/19/98/340851998.db2.gz PUHGQZIDHGKFSQ-UHFFFAOYSA-N 0 3 324.424 3.652 20 30 DHEDHN C=C(CC)CN[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000539313777 340880521 /nfs/dbraw/zinc/88/05/21/340880521.db2.gz IXOPRSPJOMWSGP-INIZCTEOSA-N 0 3 319.468 3.584 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000540405478 340930028 /nfs/dbraw/zinc/93/00/28/340930028.db2.gz DQKJQXQJQQCFRU-IAGOWNOFSA-N 0 3 300.446 3.543 20 30 DHEDHN C[C@H](NCCN1c2ccccc2C[C@H]1C)c1cccc(C#N)c1 ZINC000540597746 340937757 /nfs/dbraw/zinc/93/77/57/340937757.db2.gz WPMIRCUMLCFPRD-CVEARBPZSA-N 0 3 305.425 3.660 20 30 DHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000564253578 341000366 /nfs/dbraw/zinc/00/03/66/341000366.db2.gz UAKOCDRWEFMOCM-YLJYHZDGSA-N 0 3 311.425 3.954 20 30 DHEDHN C=CCN(Cc1cccs1)C[C@@H](O)CCc1ccccc1 ZINC000542519471 341011728 /nfs/dbraw/zinc/01/17/28/341011728.db2.gz URNDVZUIBBRDQY-KRWDZBQOSA-N 0 3 301.455 3.730 20 30 DHEDHN CCOc1ccc(CN2CCC(CC#N)CC2)cc1OCC ZINC000542853837 341023764 /nfs/dbraw/zinc/02/37/64/341023764.db2.gz KQNKNQGNMLJRGX-UHFFFAOYSA-N 0 3 302.418 3.610 20 30 DHEDHN CC(C)(C)OC(=O)c1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000542879840 341024880 /nfs/dbraw/zinc/02/48/80/341024880.db2.gz WSYFYDNGWLQUPL-UHFFFAOYSA-N 0 3 314.429 3.768 20 30 DHEDHN N#CCc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000544120016 341071008 /nfs/dbraw/zinc/07/10/08/341071008.db2.gz KGTYSTLAZLSLLS-PMACEKPBSA-N 0 3 306.409 3.620 20 30 DHEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H]1c1ccccc1 ZINC000544699190 341091401 /nfs/dbraw/zinc/09/14/01/341091401.db2.gz XWNCWZGDYCMIEE-UXHICEINSA-N 0 3 323.436 3.602 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000545232768 341115970 /nfs/dbraw/zinc/11/59/70/341115970.db2.gz AAYDAGOUNGQDBL-QGZVFWFLSA-N 0 3 300.446 3.718 20 30 DHEDHN C[C@H](CNCc1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000237536324 341215316 /nfs/dbraw/zinc/21/53/16/341215316.db2.gz PXZDSGUVVDHLHD-CYBMUJFWSA-N 0 3 300.789 3.769 20 30 DHEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@H](C)c1cccc(O)c1 ZINC000135127975 341231869 /nfs/dbraw/zinc/23/18/69/341231869.db2.gz IDRHOFMAKMZKEB-CQSZACIVSA-N 0 3 310.397 3.856 20 30 DHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCC(C)(C)C#N ZINC000547841208 341236951 /nfs/dbraw/zinc/23/69/51/341236951.db2.gz DYZKIFXYXLOAKZ-PMPSAXMXSA-N 0 3 320.477 3.901 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CCCN(c3ccccc3F)C2)c1 ZINC000136119564 341253063 /nfs/dbraw/zinc/25/30/63/341253063.db2.gz HLALVARNYSIORA-CQSZACIVSA-N 0 3 315.417 3.517 20 30 DHEDHN N#Cc1cccc(CN[C@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000080342037 341272998 /nfs/dbraw/zinc/27/29/98/341272998.db2.gz CROIWPAUISLZRE-KRWDZBQOSA-N 0 3 311.816 3.580 20 30 DHEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000549808031 341303636 /nfs/dbraw/zinc/30/36/36/341303636.db2.gz QCPANLWGJILQGM-LPHOPBHVSA-N 0 3 306.409 3.679 20 30 DHEDHN CC(C)(NCc1cnc2ccc(C#N)cn12)c1cccc(Cl)c1 ZINC000551553989 341345176 /nfs/dbraw/zinc/34/51/76/341345176.db2.gz CKTNMTBOFBUAMY-UHFFFAOYSA-N 0 3 324.815 3.884 20 30 DHEDHN N#Cc1cccc(C2(NCCCOCCc3ccccc3)CC2)c1 ZINC000551712968 341349792 /nfs/dbraw/zinc/34/97/92/341349792.db2.gz OMHWVTLGYBOFGZ-UHFFFAOYSA-N 0 3 320.436 3.786 20 30 DHEDHN N#Cc1cccc(C2(NCCCOc3ccc(F)cc3)CC2)c1 ZINC000551713420 341349825 /nfs/dbraw/zinc/34/98/25/341349825.db2.gz ZUYCJPYSLJLRIR-UHFFFAOYSA-N 0 3 310.372 3.745 20 30 DHEDHN Cn1cccc1CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000091068208 341421852 /nfs/dbraw/zinc/42/18/52/341421852.db2.gz DLJBMVKYAXHWPJ-UHFFFAOYSA-N 0 3 301.393 3.854 20 30 DHEDHN C=C(C)COc1cc(CN[C@H]2CSC2(C)C)ccc1OC ZINC000554939019 341469896 /nfs/dbraw/zinc/46/98/96/341469896.db2.gz ZIDFPFFGLRQBKY-INIZCTEOSA-N 0 3 307.459 3.634 20 30 DHEDHN Cc1ccc(OCCN[C@H]2CCc3ccc(C#N)cc32)c(C)c1 ZINC000564424304 341501495 /nfs/dbraw/zinc/50/14/95/341501495.db2.gz QTYSSRPJOAVMKI-IBGZPJMESA-N 0 3 306.409 3.831 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000567034051 341575997 /nfs/dbraw/zinc/57/59/97/341575997.db2.gz ODNIAJSQSUKMNC-DOTOQJQBSA-N 0 3 311.454 3.906 20 30 DHEDHN CCO[C@@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)C12CCCC2 ZINC000573030491 341714197 /nfs/dbraw/zinc/71/41/97/341714197.db2.gz VUSONWRUDIZGRC-ZWKOTPCHSA-N 0 3 310.441 3.875 20 30 DHEDHN CCc1ccc([C@@H](CNCc2ccc(C#N)s2)N(C)C)cc1 ZINC000176940619 341905625 /nfs/dbraw/zinc/90/56/25/341905625.db2.gz HYCZNLREEUXYPH-GOSISDBHSA-N 0 3 313.470 3.575 20 30 DHEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)C12CCCC2 ZINC000178792382 341965020 /nfs/dbraw/zinc/96/50/20/341965020.db2.gz HFOTZLZYNDRUBJ-IAGOWNOFSA-N 0 3 302.393 3.525 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000349429610 341974840 /nfs/dbraw/zinc/97/48/40/341974840.db2.gz RFCPXWYZWMMPBW-SCDSUCTJSA-N 0 3 321.218 3.555 20 30 DHEDHN CCN(CC)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000181542024 520911845 /nfs/dbraw/zinc/91/18/45/520911845.db2.gz GESMBFCNXSURSI-OAHLLOKOSA-N 0 3 308.429 3.650 20 30 DHEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1ccccc1 ZINC000157391968 522045173 /nfs/dbraw/zinc/04/51/73/522045173.db2.gz SIDYCIGTYYHOSG-SFHVURJKSA-N 0 3 322.408 3.783 20 30 DHEDHN CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000163219106 523223290 /nfs/dbraw/zinc/22/32/90/523223290.db2.gz UVJKSQRQQMASCE-GDBMZVCRSA-N 0 3 310.401 3.667 20 30 DHEDHN CO[C@@H](CNCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000267154075 523536948 /nfs/dbraw/zinc/53/69/48/523536948.db2.gz DAFOKWYIBWRQJB-HNNXBMFYSA-N 0 3 306.818 3.750 20 30 DHEDHN C[C@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000156607558 524290259 /nfs/dbraw/zinc/29/02/59/524290259.db2.gz XSROUTPCOCQAPT-WBAXXEDZSA-N 0 3 310.397 3.658 20 30 DHEDHN COc1ccccc1[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000157986013 524814006 /nfs/dbraw/zinc/81/40/06/524814006.db2.gz IJJDZTYOZMZYFK-HNNXBMFYSA-N 0 3 310.372 3.695 20 30 DHEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCc1ccc(C#N)o1 ZINC000237535330 524888017 /nfs/dbraw/zinc/88/80/17/524888017.db2.gz SDWJHSOXPLQMIR-NSHDSACASA-N 0 3 308.303 3.891 20 30 DHEDHN COc1ccc2c(c1)CCC[C@H]2NCc1ccc(OC)c(C#N)c1 ZINC000266227198 525524115 /nfs/dbraw/zinc/52/41/15/525524115.db2.gz SOLWXIZJCKVISY-LJQANCHMSA-N 0 3 322.408 3.743 20 30 DHEDHN C[C@H](N[C@@H]1c2ccccc2CC[C@H]1CO)c1cccc(C#N)c1 ZINC000365106017 525593618 /nfs/dbraw/zinc/59/36/18/525593618.db2.gz SIZUQIZAEWUUIF-DCPHZVHLSA-N 0 3 306.409 3.505 20 30 DHEDHN Cc1ccc([C@H](CN[C@@H](C)c2ccc(C#N)cc2)N2CCCC2)o1 ZINC000181648546 525958919 /nfs/dbraw/zinc/95/89/19/525958919.db2.gz XTOUNUVRNXMUMF-LPHOPBHVSA-N 0 3 323.440 3.947 20 30 DHEDHN Cc1cc(-n2ccnc2)ccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000338353299 526075117 /nfs/dbraw/zinc/07/51/17/526075117.db2.gz KKMGJDICWQGAND-INIZCTEOSA-N 0 3 316.408 3.903 20 30 DHEDHN N#Cc1cc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)ccc1F ZINC000181191846 526551920 /nfs/dbraw/zinc/55/19/20/526551920.db2.gz SGCWBHPDDYXFRB-OXQOHEQNSA-N 0 3 324.399 3.955 20 30 DHEDHN N#Cc1cccc(CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000267439528 526704285 /nfs/dbraw/zinc/70/42/85/526704285.db2.gz HMSQIIVYNCPYSC-IRXDYDNUSA-N 0 3 312.438 3.708 20 30 DHEDHN Cc1nc2c(s1)CCC[C@H]2CN(C)Cc1ccc(C#N)s1 ZINC000373593039 527105223 /nfs/dbraw/zinc/10/52/23/527105223.db2.gz LIKFSHLLPZGGCK-LBPRGKRZSA-N 0 3 317.483 3.937 20 30 DHEDHN Cn1cc(CN2CC[C@@H](CSc3ccccc3)C2)cc1C#N ZINC000191416530 527205639 /nfs/dbraw/zinc/20/56/39/527205639.db2.gz SVJYJLKFPMCFCT-OAHLLOKOSA-N 0 3 311.454 3.511 20 30 DHEDHN C=C(CC)CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001167130894 1013258545 /nfs/dbraw/zinc/25/85/45/1013258545.db2.gz JJPLBQKEPDSLBE-CABCVRRESA-N 0 3 300.229 3.850 20 30 DHEDHN C=C(CC)CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001167130897 1013258867 /nfs/dbraw/zinc/25/88/67/1013258867.db2.gz JJPLBQKEPDSLBE-GJZGRUSLSA-N 0 3 300.229 3.850 20 30 DHEDHN C=CCC[C@H](C(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000275316495 1013329417 /nfs/dbraw/zinc/32/94/17/1013329417.db2.gz KLVCHWNNYZBLMX-LPHOPBHVSA-N 0 3 312.457 3.503 20 30 DHEDHN C#CCOc1ccccc1CN[C@H](CC)c1ccc(OC)cc1 ZINC000319943112 1013388622 /nfs/dbraw/zinc/38/86/22/1013388622.db2.gz BOERYFOYNXPDHI-LJQANCHMSA-N 0 3 309.409 3.948 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc2c(c1)OCO2 ZINC000519578062 1013491988 /nfs/dbraw/zinc/49/19/88/1013491988.db2.gz XHXSORVILPJZCW-SFHVURJKSA-N 0 3 320.392 3.844 20 30 DHEDHN C=CCCCN(CC)C(=O)c1oc2ccccc2c1CN(C)C ZINC000890813483 1013513605 /nfs/dbraw/zinc/51/36/05/1013513605.db2.gz JBVLVDNTEQXIKX-UHFFFAOYSA-N 0 3 314.429 3.923 20 30 DHEDHN C#C[C@H](N[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1 ZINC000894870045 1013572204 /nfs/dbraw/zinc/57/22/04/1013572204.db2.gz HPHNGUMBTYUQJB-VZAMPYOESA-N 0 3 322.246 3.669 20 30 DHEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000683523779 1013588504 /nfs/dbraw/zinc/58/85/04/1013588504.db2.gz ASELDCDYANDXET-OXQOHEQNSA-N 0 3 311.425 3.853 20 30 DHEDHN CCOc1cncc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000598645897 1013594737 /nfs/dbraw/zinc/59/47/37/1013594737.db2.gz PRYAMBORWZLJJW-IBGZPJMESA-N 0 3 307.397 3.519 20 30 DHEDHN OCCN(CC#Cc1ccc(F)cc1)[C@@H]1CCCc2ccccc21 ZINC000440656718 1013603552 /nfs/dbraw/zinc/60/35/52/1013603552.db2.gz ZTFYIIDGNIQGQB-OAQYLSRUSA-N 0 3 323.411 3.549 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000120944993 1013607530 /nfs/dbraw/zinc/60/75/30/1013607530.db2.gz FRWUACDVLQOBSA-PMPSAXMXSA-N 0 3 315.376 3.553 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(CC)[C@@H](CC)c1ccccc1 ZINC000519909408 1013621872 /nfs/dbraw/zinc/62/18/72/1013621872.db2.gz WHOULRBYVBDJEO-SFHVURJKSA-N 0 3 302.462 3.884 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)s1)c1cccc(-n2cccn2)c1 ZINC000176980543 1013693161 /nfs/dbraw/zinc/69/31/61/1013693161.db2.gz KDEXNXUOSVFWKP-CYBMUJFWSA-N 0 3 308.410 3.656 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](CC)Cc1ccc(C)cc1 ZINC000441378302 1013730197 /nfs/dbraw/zinc/73/01/97/1013730197.db2.gz MTBFVYPCVNQART-LJQANCHMSA-N 0 3 316.489 3.673 20 30 DHEDHN C#CCN(Cc1cc(C)c(Br)cn1)C1CCCCC1 ZINC001204496303 1013730771 /nfs/dbraw/zinc/73/07/71/1013730771.db2.gz FIXBAANMQNMJGK-UHFFFAOYSA-N 0 3 321.262 3.920 20 30 DHEDHN C=CCCC(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000894983943 1013767154 /nfs/dbraw/zinc/76/71/54/1013767154.db2.gz VFULBKAKUJZSLL-UHFFFAOYSA-N 0 3 300.324 3.672 20 30 DHEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(-n2cccn2)cc1 ZINC000177708141 1014022003 /nfs/dbraw/zinc/02/20/03/1014022003.db2.gz CCJJCMJCBXHXCI-ZDUSSCGKSA-N 0 3 308.410 3.656 20 30 DHEDHN Cc1ncc(CN2CCC(Cc3ccc(C#N)cc3)CC2)s1 ZINC001207061476 1014036850 /nfs/dbraw/zinc/03/68/50/1014036850.db2.gz XQHDERBEGMAUSL-UHFFFAOYSA-N 0 3 311.454 3.778 20 30 DHEDHN COCCN(Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000160443417 1014071880 /nfs/dbraw/zinc/07/18/80/1014071880.db2.gz SRAALSWXYOLKBG-QGZVFWFLSA-N 0 3 324.424 3.626 20 30 DHEDHN COc1ccc(CN(C)Cc2ccc(OC)c(C#N)c2)cc1C ZINC000135038864 1014081151 /nfs/dbraw/zinc/08/11/51/1014081151.db2.gz LHMVNUCROAMKPW-UHFFFAOYSA-N 0 3 310.397 3.516 20 30 DHEDHN CCc1cncc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000684012374 1014273147 /nfs/dbraw/zinc/27/31/47/1014273147.db2.gz ZTAUPVIJEWXGCT-INIZCTEOSA-N 0 3 301.349 3.682 20 30 DHEDHN CC[C@H](C)CN(CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000177855434 1014435922 /nfs/dbraw/zinc/43/59/22/1014435922.db2.gz FTHLEWAZLDLCOY-LBPRGKRZSA-N 0 3 307.825 3.518 20 30 DHEDHN CCC1(CC)CN(Cc2ccc(C#N)c(OC)c2)CCS1 ZINC000442839564 1014746694 /nfs/dbraw/zinc/74/66/94/1014746694.db2.gz WVGGIXRDRDQAMY-UHFFFAOYSA-N 0 3 304.459 3.674 20 30 DHEDHN COc1ccc(CCN(CC(C)C)CC2(C#N)CC2)cc1OC ZINC000347497230 1014749503 /nfs/dbraw/zinc/74/95/03/1014749503.db2.gz YIEOFPPTERVXCC-UHFFFAOYSA-N 0 3 316.445 3.508 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000442851440 1014755948 /nfs/dbraw/zinc/75/59/48/1014755948.db2.gz DVMWTPGOINMNQC-IRUJWGPZSA-N 0 3 323.259 3.878 20 30 DHEDHN CC[C@H]1CCCCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167457756 1014767763 /nfs/dbraw/zinc/76/77/63/1014767763.db2.gz JZDVGQSXULPJJT-HNNXBMFYSA-N 0 3 319.836 3.805 20 30 DHEDHN CN(CCC#N)c1ccc(CNCc2ccc(Cl)cc2)cc1 ZINC000070982170 1014815750 /nfs/dbraw/zinc/81/57/50/1014815750.db2.gz CXAWGDSZPZQPCH-UHFFFAOYSA-N 0 3 313.832 3.980 20 30 DHEDHN C=CCC[C@H](NC[C@@H](O)c1ccc(OC)cc1)c1ccco1 ZINC000276387641 1015045928 /nfs/dbraw/zinc/04/59/28/1015045928.db2.gz AYMSNFFEUADAKS-DLBZAZTESA-N 0 3 301.386 3.619 20 30 DHEDHN COc1ccc(CN2CCC[C@H](CF)C2)cc1OCCCC#N ZINC000895545527 1015198578 /nfs/dbraw/zinc/19/85/78/1015198578.db2.gz GJHIXSGCFUIZOU-MRXNPFEDSA-N 0 3 320.408 3.559 20 30 DHEDHN C=CC[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2OC)C1 ZINC000668492751 1015213133 /nfs/dbraw/zinc/21/31/33/1015213133.db2.gz FOLWQABAOVXLHZ-CQSZACIVSA-N 0 3 305.418 3.501 20 30 DHEDHN N#Cc1cc(Cl)ccc1CN[C@H](CCO)C1CCCCC1 ZINC000187450883 1015460620 /nfs/dbraw/zinc/46/06/20/1015460620.db2.gz YMSGYMNVWKJRFS-QGZVFWFLSA-N 0 3 306.837 3.633 20 30 DHEDHN C=CCN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1O ZINC000891675515 1015514899 /nfs/dbraw/zinc/51/48/99/1015514899.db2.gz VMBDVTCFWQYNQQ-UHFFFAOYSA-N 0 3 313.397 3.598 20 30 DHEDHN CC1(C)[C@@H](NCc2ccc(C#N)o2)C[C@@H]1OCc1ccccc1 ZINC000185736621 1015679066 /nfs/dbraw/zinc/67/90/66/1015679066.db2.gz OPELOMIDXXGNFV-ROUUACIJSA-N 0 3 310.397 3.625 20 30 DHEDHN CCn1nc(C)c(CN[C@@H]2CCCc3cc(C#N)ccc32)c1C ZINC000341700008 1015680684 /nfs/dbraw/zinc/68/06/84/1015680684.db2.gz SKEROPMDKNQGDM-LJQANCHMSA-N 0 3 308.429 3.559 20 30 DHEDHN CN(CCCC(=O)c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000320217317 1015698492 /nfs/dbraw/zinc/69/84/92/1015698492.db2.gz YRTWBKURGYAVLS-UHFFFAOYSA-N 0 3 310.372 3.792 20 30 DHEDHN CCc1ccc2nccc(N3CCC4(CC3)CC(=O)C=CO4)c2c1 ZINC000896882851 1015797610 /nfs/dbraw/zinc/79/76/10/1015797610.db2.gz VKLLLVUDKIYISI-UHFFFAOYSA-N 0 3 322.408 3.639 20 30 DHEDHN CC[C@H](CSC)N(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878343588 1033663625 /nfs/dbraw/zinc/66/36/25/1033663625.db2.gz FTIITGRGUVLILH-QZTJIDSGSA-N 0 3 318.486 3.500 20 30 DHEDHN C=CCOc1cccc(CN(Cc2ccccc2)C[C@H](C)O)c1 ZINC000535799703 1015828546 /nfs/dbraw/zinc/82/85/46/1015828546.db2.gz GQNOSDAEKYEAMV-KRWDZBQOSA-N 0 3 311.425 3.634 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCC)C2CCCC2)CC1 ZINC000458313939 1015966755 /nfs/dbraw/zinc/96/67/55/1015966755.db2.gz DKPMRAXIBUINMG-SFHVURJKSA-N 0 3 321.509 3.685 20 30 DHEDHN COc1ccc(CN(Cc2ccnc(C#N)c2)[C@H](C)C2CC2)cc1 ZINC000610991522 1015992989 /nfs/dbraw/zinc/99/29/89/1015992989.db2.gz MIGYRRMORNCFOH-OAHLLOKOSA-N 0 3 321.424 3.763 20 30 DHEDHN CC[C@H]1CN(Cc2ccnc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000610993715 1015998596 /nfs/dbraw/zinc/99/85/96/1015998596.db2.gz DFNWSNRTWHVWBY-PXNSSMCTSA-N 0 3 305.425 3.969 20 30 DHEDHN N#Cc1ccc(OCCCN2CCC=C(c3ccccn3)C2)cc1 ZINC000846921220 1032136289 /nfs/dbraw/zinc/13/62/89/1032136289.db2.gz PXZMILWNZCUGAB-UHFFFAOYSA-N 0 3 319.408 3.511 20 30 DHEDHN CC1(C)CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000119792748 1016352431 /nfs/dbraw/zinc/35/24/31/1016352431.db2.gz MXKCBIOZTWJAKG-HNNXBMFYSA-N 0 3 310.401 3.667 20 30 DHEDHN C=CC[C@@H](C)N[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000342439378 1016454731 /nfs/dbraw/zinc/45/47/31/1016454731.db2.gz YUUUAEYEESKTQM-VQIMIIECSA-N 0 3 308.425 3.598 20 30 DHEDHN CCCCN(C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000346556155 1016455112 /nfs/dbraw/zinc/45/51/12/1016455112.db2.gz XYIBOVDUJHSVHX-KRWDZBQOSA-N 0 3 315.461 3.671 20 30 DHEDHN CC[C@@H](NCCCOc1cccc(C#N)c1)c1nccs1 ZINC000185067757 1016531441 /nfs/dbraw/zinc/53/14/41/1016531441.db2.gz AYUPJQDYUUQQEI-OAHLLOKOSA-N 0 3 301.415 3.525 20 30 DHEDHN C=CC[C@H](CC)N[C@@H](C)c1ncc(Br)cc1F ZINC000281567847 1016607405 /nfs/dbraw/zinc/60/74/05/1016607405.db2.gz KGDRFWQLYYLTBJ-ONGXEEELSA-N 0 3 301.203 3.989 20 30 DHEDHN COc1cc(CN[C@@H]2CCc3c2cccc3Cl)ccc1C#N ZINC000281609948 1016630154 /nfs/dbraw/zinc/63/01/54/1016630154.db2.gz GNLQQKKJYJEASJ-QGZVFWFLSA-N 0 3 312.800 3.997 20 30 DHEDHN COc1ccc2c(c1)CCC[C@H]2NCc1ccc(C#N)c(OC)c1 ZINC000281670915 1016658296 /nfs/dbraw/zinc/65/82/96/1016658296.db2.gz LLYLLUOKOVJSPH-LJQANCHMSA-N 0 3 322.408 3.743 20 30 DHEDHN N#Cc1cccc(OCCCN2CCC[C@@H]2c2cccnc2)c1 ZINC000346996815 1016678876 /nfs/dbraw/zinc/67/88/76/1016678876.db2.gz XQQSOXWQRUBQMD-LJQANCHMSA-N 0 3 307.397 3.559 20 30 DHEDHN C[C@H](NCC#CCN[C@@H](C)c1ccsc1)c1ccsc1 ZINC000671243944 1016739205 /nfs/dbraw/zinc/73/92/05/1016739205.db2.gz PKVRAXGURLONJC-KBPBESRZSA-N 0 3 304.484 3.814 20 30 DHEDHN C=CCCn1cc(CNCC2(Cc3ccccc3)CCCC2)nn1 ZINC000657431408 1016766331 /nfs/dbraw/zinc/76/63/31/1016766331.db2.gz WRHFFDMBRUEBNV-UHFFFAOYSA-N 0 3 324.472 3.747 20 30 DHEDHN Cc1csc(C(C)(C)NCCCOc2ccc(C#N)cc2)n1 ZINC000072663093 1016783391 /nfs/dbraw/zinc/78/33/91/1016783391.db2.gz TWLFVBXQVMAHAN-UHFFFAOYSA-N 0 3 315.442 3.617 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccoc1C1CC1 ZINC000342649283 1016920126 /nfs/dbraw/zinc/92/01/26/1016920126.db2.gz WPLPXIFTZAMDGE-ZDUSSCGKSA-N 0 3 305.337 3.534 20 30 DHEDHN CC(=O)Nc1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000611624387 1016949526 /nfs/dbraw/zinc/94/95/26/1016949526.db2.gz JETAACFZJIYEND-ZIAGYGMSSA-N 0 3 307.397 3.928 20 30 DHEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@H]2c2ccccc2)nn1 ZINC000657480513 1016994133 /nfs/dbraw/zinc/99/41/33/1016994133.db2.gz PYMXZMWSPNQKFX-HKUYNNGSSA-N 0 3 310.445 3.528 20 30 DHEDHN N#Cc1ccc(C2(NCc3ccc4c(c3)COC4)CCC2)cc1 ZINC000847060826 1032194054 /nfs/dbraw/zinc/19/40/54/1032194054.db2.gz SSQUWCPFTFJMSN-UHFFFAOYSA-N 0 3 304.393 3.757 20 30 DHEDHN CC(C)n1cc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000772960733 1032198931 /nfs/dbraw/zinc/19/89/31/1032198931.db2.gz VKBFODKFWPJUAL-HUUCEWRRSA-N 0 3 312.417 3.778 20 30 DHEDHN CO[C@H](CNC1CC(C#N)(c2ccccc2)C1)c1ccccc1 ZINC000126120692 1032199176 /nfs/dbraw/zinc/19/91/76/1032199176.db2.gz WCDOXVIMAWLMLI-IOJLRTSASA-N 0 3 306.409 3.588 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2CCC(C)C)CC1 ZINC000119732850 1032307716 /nfs/dbraw/zinc/30/77/16/1032307716.db2.gz BSTONEMUZRAZCA-GOSISDBHSA-N 0 3 321.509 3.637 20 30 DHEDHN C=CCOc1ccc(CN2CCC3(C2)CCOCC3)cc1Cl ZINC000537622684 1032324934 /nfs/dbraw/zinc/32/49/34/1032324934.db2.gz HOUOQAAHZAHAJA-UHFFFAOYSA-N 0 3 321.848 3.907 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cnccc2C)c1 ZINC000772983072 1032336322 /nfs/dbraw/zinc/33/63/22/1032336322.db2.gz JCMVTKURJJXEER-DOTOQJQBSA-N 0 3 309.413 3.922 20 30 DHEDHN C[C@@H]1SCCN(Cc2cccc(OCCCC#N)c2)[C@H]1C ZINC000093500310 1032541394 /nfs/dbraw/zinc/54/13/94/1032541394.db2.gz DEVUFLPVRYKPGN-GJZGRUSLSA-N 0 3 304.459 3.695 20 30 DHEDHN C=C[C@@H](CC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000122508651 1032551764 /nfs/dbraw/zinc/55/17/64/1032551764.db2.gz LGOGHYHFWISVDK-PXNSSMCTSA-N 0 3 322.452 3.765 20 30 DHEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2c2ccc(Cl)cc2)nn1 ZINC000424294361 1011961285 /nfs/dbraw/zinc/96/12/85/1011961285.db2.gz KTRISZYCLVXILX-DLBZAZTESA-N 0 3 316.836 3.543 20 30 DHEDHN C=CCc1cc(CN2CCC3(CC3(F)F)CC2)cc(OC)c1O ZINC000651953273 1012186391 /nfs/dbraw/zinc/18/63/91/1012186391.db2.gz APDWGYFISHHVGS-UHFFFAOYSA-N 0 3 323.383 3.751 20 30 DHEDHN N#Cc1ccccc1N1CCN(C[C@H]2CCCC(F)(F)C2)CC1 ZINC000513894142 1012218558 /nfs/dbraw/zinc/21/85/58/1012218558.db2.gz HRQATOLMHXJDLM-HNNXBMFYSA-N 0 3 319.399 3.506 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)ncn2C ZINC000425365090 1012492664 /nfs/dbraw/zinc/49/26/64/1012492664.db2.gz IRPCRKJHIIVLHY-CQSZACIVSA-N 0 3 304.397 3.638 20 30 DHEDHN N#CCCC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000515384714 1012615308 /nfs/dbraw/zinc/61/53/08/1012615308.db2.gz VZBCAQRBWHHAHE-UHFFFAOYSA-N 0 3 315.436 3.942 20 30 DHEDHN N#Cc1cccc(OCCN2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000515544070 1012655872 /nfs/dbraw/zinc/65/58/72/1012655872.db2.gz GRIQCZUSNOWFMH-UHFFFAOYSA-N 0 3 322.383 3.865 20 30 DHEDHN CC(=O)Nc1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425531234 1012733086 /nfs/dbraw/zinc/73/30/86/1012733086.db2.gz HAUWLVAQLVQNHS-CQSZACIVSA-N 0 3 307.397 3.710 20 30 DHEDHN COc1cccc2c1CC[C@H]2N[C@@H]1CCc2ccc(C#N)cc21 ZINC000517000001 1012887998 /nfs/dbraw/zinc/88/79/98/1012887998.db2.gz KFGIOPRLJDUDTG-RTBURBONSA-N 0 3 304.393 3.831 20 30 DHEDHN COC1(CNCc2ccc(C#N)o2)CCC(c2ccccc2)CC1 ZINC000517615742 1013026126 /nfs/dbraw/zinc/02/61/26/1013026126.db2.gz ACZQVLYWUQLFAS-UHFFFAOYSA-N 0 3 324.424 3.984 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc(C)c(F)c2)cc1OC ZINC000073052785 1017125173 /nfs/dbraw/zinc/12/51/73/1017125173.db2.gz QZAFDPZKSYQPNA-UHFFFAOYSA-N 0 3 315.388 3.997 20 30 DHEDHN CCN(Cc1ccc(CC#N)cc1)Cc1ccc(OC)c(OC)c1 ZINC000342764662 1017190134 /nfs/dbraw/zinc/19/01/34/1017190134.db2.gz JJCANXMYMCZCEZ-UHFFFAOYSA-N 0 3 324.424 3.792 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N1CCC[C@@H](C)C1)c1ccccc1 ZINC000180045111 1017360510 /nfs/dbraw/zinc/36/05/10/1017360510.db2.gz PXRVGJCUAHVFRT-SJLPKXTDSA-N 0 3 300.446 3.542 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC(c2ccccc2F)CC1 ZINC000609895419 1017370391 /nfs/dbraw/zinc/37/03/91/1017370391.db2.gz PSNVNVWPTFXZFK-UHFFFAOYSA-N 0 3 324.399 3.956 20 30 DHEDHN C=CC[C@@H](C)N[C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000180947205 1017518098 /nfs/dbraw/zinc/51/80/98/1017518098.db2.gz JRRLHVKJYNHNMZ-VXGBXAGGSA-N 0 3 304.825 3.844 20 30 DHEDHN COc1ccc(CN2CCC23CCC3)cc1OCCCC#N ZINC000353663557 1017614425 /nfs/dbraw/zinc/61/44/25/1017614425.db2.gz CUTNFDGVRRCCQY-UHFFFAOYSA-N 0 3 300.402 3.506 20 30 DHEDHN Fc1ccc(C#CCN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181194353 1017730361 /nfs/dbraw/zinc/73/03/61/1017730361.db2.gz UHHONSVODIIFKW-WIYYLYMNSA-N 0 3 323.411 3.935 20 30 DHEDHN Cc1ccc(CN(CCO)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000181988890 1017845341 /nfs/dbraw/zinc/84/53/41/1017845341.db2.gz YOUCEUNRQISNPL-UHFFFAOYSA-N 0 3 322.452 3.791 20 30 DHEDHN C#CC1CCN(CCCc2ccccc2Br)CC1 ZINC001171490902 1032732301 /nfs/dbraw/zinc/73/23/01/1032732301.db2.gz QSVKOHFQPZRPEX-UHFFFAOYSA-N 0 3 306.247 3.727 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@@H](CC2CCCCC2)C(C)C)CC1 ZINC000172217654 1018023896 /nfs/dbraw/zinc/02/38/96/1018023896.db2.gz QLXLBRVZVLHGEG-IBGZPJMESA-N 0 3 320.521 3.996 20 30 DHEDHN C=CCC1(C(=O)NC[C@H]2N(C)CCCC2(C)C)CCCCC1 ZINC001128744090 1018026886 /nfs/dbraw/zinc/02/68/86/1018026886.db2.gz FZOMAJXXQRVSQX-MRXNPFEDSA-N 0 3 306.494 3.750 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@H](Oc3ccc(C)cn3)C2)cc1 ZINC000858012284 1032742095 /nfs/dbraw/zinc/74/20/95/1032742095.db2.gz YPJHBFKPZPNYLD-LJQANCHMSA-N 0 3 324.424 3.608 20 30 DHEDHN N#CCCCN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000185089022 1018106794 /nfs/dbraw/zinc/10/67/94/1018106794.db2.gz VADYREFEVXPWLW-GOSISDBHSA-N 0 3 322.387 3.810 20 30 DHEDHN CC(=O)Nc1ccc(Nc2ccnc(C(C)(C)C)c2)cc1C#N ZINC001213166868 1018211753 /nfs/dbraw/zinc/21/17/53/1018211753.db2.gz WKYNZHYRGXOPSG-UHFFFAOYSA-N 0 3 308.385 3.953 20 30 DHEDHN CC[C@H](NCc1ccc(OCC2CC2)nc1)c1ccc(C#N)cc1 ZINC000278156452 1018227006 /nfs/dbraw/zinc/22/70/06/1018227006.db2.gz ANYULMDDLSCLSI-IBGZPJMESA-N 0 3 321.424 3.983 20 30 DHEDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCCCC(C)(C)C#N ZINC000383076016 1018361794 /nfs/dbraw/zinc/36/17/94/1018361794.db2.gz WZKRCVXNVHPOAT-GOSISDBHSA-N 0 3 313.489 3.913 20 30 DHEDHN C=CCCOCCNCc1ccc(-c2c(F)cccc2F)o1 ZINC000536005840 1018396696 /nfs/dbraw/zinc/39/66/96/1018396696.db2.gz OBTUEVZYCSOUAW-UHFFFAOYSA-N 0 3 307.340 3.907 20 30 DHEDHN N#CC1(CN[C@H]2CCc3cc(F)c(F)c(F)c3C2)CCCC1 ZINC001171509308 1032761423 /nfs/dbraw/zinc/76/14/23/1032761423.db2.gz UVQHQIIZRZQHGF-LBPRGKRZSA-N 0 3 308.347 3.635 20 30 DHEDHN N#Cc1ccccc1CN[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171506392 1032761665 /nfs/dbraw/zinc/76/16/65/1032761665.db2.gz WDRPPEDIKJOEAX-AWEZNQCLSA-N 0 3 316.326 3.623 20 30 DHEDHN Cc1cc(C)n(-c2ccccc2CNCc2ccc(C#N)s2)n1 ZINC000152293074 1018448741 /nfs/dbraw/zinc/44/87/41/1018448741.db2.gz HRKLDQLODBVGDW-UHFFFAOYSA-N 0 3 322.437 3.712 20 30 DHEDHN C=C(Cl)CN[C@H]1CCc2cc(Br)ccc2C1 ZINC000161728886 1018491940 /nfs/dbraw/zinc/49/19/40/1018491940.db2.gz HISCZWMJAFXEAT-ZDUSSCGKSA-N 0 3 300.627 3.649 20 30 DHEDHN COc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)c(C)c1 ZINC000765259532 1018733702 /nfs/dbraw/zinc/73/37/02/1018733702.db2.gz GDNXARUACJJBMA-OAHLLOKOSA-N 0 3 310.397 3.584 20 30 DHEDHN CSCC[C@H](C)NCc1cc(C#N)ccc1Br ZINC000921757227 1018768487 /nfs/dbraw/zinc/76/84/87/1018768487.db2.gz OCICOBLOVPVBDS-JTQLQIEISA-N 0 3 313.264 3.552 20 30 DHEDHN CO[C@@H](CNCc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000921782039 1018827177 /nfs/dbraw/zinc/82/71/77/1018827177.db2.gz CNUQACNFWLDGEX-HNNXBMFYSA-N 0 3 306.818 3.750 20 30 DHEDHN C[C@@H](NCc1csc(C#N)c1)[C@H](O)c1c(F)cccc1Cl ZINC000921806203 1018881943 /nfs/dbraw/zinc/88/19/43/1018881943.db2.gz JJUUPSSREUVQHL-PSLIRLAXSA-N 0 3 324.808 3.624 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@]2(C)CCOc3ccccc32)cc1 ZINC000923025359 1018990201 /nfs/dbraw/zinc/99/02/01/1018990201.db2.gz NYBLCYYVRPYCNG-MGPUTAFESA-N 0 3 322.408 3.765 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@]2(C)CCOc3ccccc32)cc1 ZINC000923025358 1018991287 /nfs/dbraw/zinc/99/12/87/1018991287.db2.gz NYBLCYYVRPYCNG-FOIQADDNSA-N 0 3 322.408 3.765 20 30 DHEDHN CO[C@H](CNCc1csc(C#N)c1)c1ccccc1Cl ZINC000921853411 1018993178 /nfs/dbraw/zinc/99/31/78/1018993178.db2.gz HKKKHXICUGOEFW-OAHLLOKOSA-N 0 3 306.818 3.750 20 30 DHEDHN C=C(C)CCNCc1cc(OC)c(OC)cc1Br ZINC000386911931 1019032070 /nfs/dbraw/zinc/03/20/70/1019032070.db2.gz QCLUZLXNOKWIFV-UHFFFAOYSA-N 0 3 314.223 3.522 20 30 DHEDHN N#Cc1cc(CN[C@@H]2CCN(c3ccc(Cl)cc3)C2)cs1 ZINC000921969635 1019234278 /nfs/dbraw/zinc/23/42/78/1019234278.db2.gz NDMOUAFPPZSMTG-CQSZACIVSA-N 0 3 317.845 3.642 20 30 DHEDHN C=C(C)[C@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccc(F)c(F)c1 ZINC001128248623 1019241949 /nfs/dbraw/zinc/24/19/49/1019241949.db2.gz FPJCADKFQRHNBL-IRXDYDNUSA-N 0 3 322.399 3.571 20 30 DHEDHN C=C(C)[C@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccc(F)c(F)c1 ZINC001128248625 1019242659 /nfs/dbraw/zinc/24/26/59/1019242659.db2.gz FPJCADKFQRHNBL-SJORKVTESA-N 0 3 322.399 3.571 20 30 DHEDHN CCOc1ccccc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000090106548 1019399068 /nfs/dbraw/zinc/39/90/68/1019399068.db2.gz DVGOWVKNKNWZAH-HNNXBMFYSA-N 0 3 310.397 3.687 20 30 DHEDHN CC(C)(COCc1ccccc1)NCc1csc(C#N)c1 ZINC000922095266 1019435637 /nfs/dbraw/zinc/43/56/37/1019435637.db2.gz 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/nfs/dbraw/zinc/83/50/92/1019835092.db2.gz RGYJUTFWMVHMCS-UHFFFAOYSA-N 0 3 310.397 3.598 20 30 DHEDHN C=C(C)CN1CCC(NC(=S)Nc2ccccc2Cl)CC1 ZINC000729942081 1019927063 /nfs/dbraw/zinc/92/70/63/1019927063.db2.gz IKEXOTAXILLFMM-UHFFFAOYSA-N 0 3 323.893 3.667 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000671764791 1020010093 /nfs/dbraw/zinc/01/00/93/1020010093.db2.gz QOKBPPNQIJGLRX-ZDUSSCGKSA-N 0 3 324.380 3.949 20 30 DHEDHN CSCc1ccc(CNCc2cccc(OCC#N)c2)cc1 ZINC001119613266 1020017275 /nfs/dbraw/zinc/01/72/75/1020017275.db2.gz GOWSEMMXLVSECC-UHFFFAOYSA-N 0 3 312.438 3.742 20 30 DHEDHN COc1ccc2c(c1)CCCN(Cc1ccc(OCC#N)cc1)C2 ZINC000731212747 1020082629 /nfs/dbraw/zinc/08/26/29/1020082629.db2.gz DYPRFNVBVFAQJI-UHFFFAOYSA-N 0 3 322.408 3.546 20 30 DHEDHN C=CCN1CCC(NC(=O)/C=C(/C)c2ccccc2Cl)CC1 ZINC000255634548 1020089027 /nfs/dbraw/zinc/08/90/27/1020089027.db2.gz ZEWRMZDNKMESRM-YPKPFQOOSA-N 0 3 318.848 3.510 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347723047 1020119978 /nfs/dbraw/zinc/11/99/78/1020119978.db2.gz FCLMLRTWJXUCCT-CJNGLKHVSA-N 0 3 319.836 3.680 20 30 DHEDHN N#Cc1csc(CN2CC[C@H](COCc3ccccc3)C2)c1 ZINC000093684244 1020166451 /nfs/dbraw/zinc/16/64/51/1020166451.db2.gz WLUCJBSEJBWHEF-INIZCTEOSA-N 0 3 312.438 3.658 20 30 DHEDHN COC[C@@H](C)Oc1ccc(CNCc2ccc(C)c(C#N)c2)cc1 ZINC000922760594 1020252882 /nfs/dbraw/zinc/25/28/82/1020252882.db2.gz WRJICGWFIVZXSI-MRXNPFEDSA-N 0 3 324.424 3.570 20 30 DHEDHN COCCCOc1cccc(CNCc2ccc(C)c(C#N)c2)c1 ZINC000922759027 1020253093 /nfs/dbraw/zinc/25/30/93/1020253093.db2.gz JOHQOYRHHUFRRV-UHFFFAOYSA-N 0 3 324.424 3.572 20 30 DHEDHN CCN(Cc1cccc(C(=O)OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000125770219 1020347164 /nfs/dbraw/zinc/34/71/64/1020347164.db2.gz IWSIVDQXIPCTEY-OAHLLOKOSA-N 0 3 322.408 3.928 20 30 DHEDHN C#CCOc1ccc(CNCc2ccccc2COC(C)C)cc1 ZINC000733322349 1020369862 /nfs/dbraw/zinc/36/98/62/1020369862.db2.gz IHTKNKJVWXRRSR-UHFFFAOYSA-N 0 3 323.436 3.913 20 30 DHEDHN C=CCN(CC=C)[C@@H](CN[C@H]1CCCc2oc(C)nc21)C(C)C ZINC000924641847 1032901587 /nfs/dbraw/zinc/90/15/87/1032901587.db2.gz DAQZNUCJOGOBCD-IRXDYDNUSA-N 0 3 317.477 3.649 20 30 DHEDHN CC[C@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171838370 1032902223 /nfs/dbraw/zinc/90/22/23/1032902223.db2.gz WRTICHOYEVLGFL-HUUCEWRRSA-N 0 3 321.465 3.590 20 30 DHEDHN C=CC[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccncc1 ZINC000766020124 1020461926 /nfs/dbraw/zinc/46/19/26/1020461926.db2.gz OXJOTPLSBKIMPZ-DNVCBOLYSA-N 0 3 319.412 3.630 20 30 DHEDHN C=CC[C@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccncc1 ZINC000766020898 1020468225 /nfs/dbraw/zinc/46/82/25/1020468225.db2.gz QQVFXFFMKHGKKT-KDOFPFPSSA-N 0 3 321.424 3.934 20 30 DHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925512 1020487165 /nfs/dbraw/zinc/48/71/65/1020487165.db2.gz FPPLFKKAUUPPOG-CQSZACIVSA-N 0 3 319.408 3.758 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccc(OCC#N)cc1 ZINC000921693091 1020499112 /nfs/dbraw/zinc/49/91/12/1020499112.db2.gz IAKZXBBGFSPFNS-HUUCEWRRSA-N 0 3 322.408 3.763 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cc(C)co1 ZINC000892495040 1020552569 /nfs/dbraw/zinc/55/25/69/1020552569.db2.gz LCXKKNZXRIKPAP-HNNXBMFYSA-N 0 3 324.380 3.674 20 30 DHEDHN CC[C@](C)(O)CN(Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000188580462 1020593570 /nfs/dbraw/zinc/59/35/70/1020593570.db2.gz ZCYKKQBCUSWQJL-SFHVURJKSA-N 0 3 314.454 3.783 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000921737328 1020594145 /nfs/dbraw/zinc/59/41/45/1020594145.db2.gz DXHDSUXQFFJCEI-AWEZNQCLSA-N 0 3 322.412 3.517 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCCc3nc(C)ncc32)cc1 ZINC000766046241 1020610077 /nfs/dbraw/zinc/61/00/77/1020610077.db2.gz WVHZYGPTQAJMPN-KUHUBIRLSA-N 0 3 321.424 3.525 20 30 DHEDHN CN(CCSc1ccccc1C#N)Cc1ccc(F)cc1 ZINC000612998846 1020770204 /nfs/dbraw/zinc/77/02/04/1020770204.db2.gz ZVDVBZURQAPQQB-UHFFFAOYSA-N 0 3 300.402 3.921 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)cccc2CC)CC1 ZINC000264428775 1032931821 /nfs/dbraw/zinc/93/18/21/1032931821.db2.gz WNKKQHLRQMNFCM-UHFFFAOYSA-N 0 3 315.461 3.719 20 30 DHEDHN CC[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000738252765 1020869609 /nfs/dbraw/zinc/86/96/09/1020869609.db2.gz AWSXASOLQWZTPE-MRXNPFEDSA-N 0 3 308.429 3.891 20 30 DHEDHN C=CCCCCCN(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000739883547 1020919202 /nfs/dbraw/zinc/91/92/02/1020919202.db2.gz BHZHXLWZSSJQAD-UHFFFAOYSA-N 0 3 302.378 3.580 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2cccc(N3CCCC3)c2)n1 ZINC000659010564 1021107661 /nfs/dbraw/zinc/10/76/61/1021107661.db2.gz PLQWBQUKHPQQHG-OAHLLOKOSA-N 0 3 311.410 3.542 20 30 DHEDHN C#CCCCNCc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000742385049 1021109919 /nfs/dbraw/zinc/10/99/19/1021109919.db2.gz GMFVHAOGGMRKFX-UHFFFAOYSA-N 0 3 322.239 3.991 20 30 DHEDHN CC[C@@H](c1ccccc1)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000742420024 1021119324 /nfs/dbraw/zinc/11/93/24/1021119324.db2.gz UQCZDJDWTXFTDT-IBGZPJMESA-N 0 3 323.415 3.971 20 30 DHEDHN N#CC(C(=O)c1ccc2c(c1)CCOC2)c1nc(C2CC2)cs1 ZINC000659115927 1021177308 /nfs/dbraw/zinc/17/73/08/1021177308.db2.gz KEMNYWUXHWTAOA-OAHLLOKOSA-N 0 3 324.405 3.583 20 30 DHEDHN Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1C#N ZINC000926962873 1032962177 /nfs/dbraw/zinc/96/21/77/1032962177.db2.gz AFBYWPPZKJHJTK-CQSZACIVSA-N 0 3 309.369 3.934 20 30 DHEDHN CC[C@@H](C#N)OC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000181578789 1021258861 /nfs/dbraw/zinc/25/88/61/1021258861.db2.gz PYDYBRNGMWNAHM-IBGZPJMESA-N 0 3 322.408 3.778 20 30 DHEDHN C=CCSc1nc2ccccc2n1CN1CCCSCC1 ZINC000917464370 1021274302 /nfs/dbraw/zinc/27/43/02/1021274302.db2.gz GKFSJQRAZVQTMQ-UHFFFAOYSA-N 0 3 319.499 3.711 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cccc(CO)c2)c1 ZINC000776311448 1021279772 /nfs/dbraw/zinc/27/97/72/1021279772.db2.gz ZAHJXCIVESZDGT-KXBFYZLASA-N 0 3 324.424 3.711 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(CO)c2)c1 ZINC000776311445 1021280280 /nfs/dbraw/zinc/28/02/80/1021280280.db2.gz ZAHJXCIVESZDGT-DNVCBOLYSA-N 0 3 324.424 3.711 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000154447549 1021306464 /nfs/dbraw/zinc/30/64/64/1021306464.db2.gz YTSMHUMKNIZCCC-UHFFFAOYSA-N 0 3 305.425 3.595 20 30 DHEDHN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)c2ccccc2n1 ZINC000181827855 1021360339 /nfs/dbraw/zinc/36/03/39/1021360339.db2.gz QOEJXEGVIGLYBO-AWEZNQCLSA-N 0 3 317.392 3.966 20 30 DHEDHN C=C(CC)CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000538016344 1032975153 /nfs/dbraw/zinc/97/51/53/1032975153.db2.gz BLACQIBLKXCGJH-UHFFFAOYSA-N 0 3 321.852 3.846 20 30 DHEDHN CC[C@@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000618571466 1021428490 /nfs/dbraw/zinc/42/84/90/1021428490.db2.gz SWYJOQJARWUSLD-OAHLLOKOSA-N 0 3 322.334 3.558 20 30 DHEDHN CCN(Cc1ccc2c(c1)OCO2)[C@H](C)c1cccc(C#N)c1 ZINC000189781880 1021440802 /nfs/dbraw/zinc/44/08/02/1021440802.db2.gz ZZJVOCAQHUQXFU-CQSZACIVSA-N 0 3 308.381 3.870 20 30 DHEDHN CC(C)(C)CN(CC(=O)Nc1sccc1C#N)CC(C)(C)C ZINC000182081817 1021468418 /nfs/dbraw/zinc/46/84/18/1021468418.db2.gz LPDDAEKZHMHRDC-UHFFFAOYSA-N 0 3 321.490 3.952 20 30 DHEDHN CCOCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000782949398 1021476867 /nfs/dbraw/zinc/47/68/67/1021476867.db2.gz FNODAIFVUQOMBL-OAHLLOKOSA-N 0 3 310.397 3.782 20 30 DHEDHN C=CCCC1(CNCc2ncc(C3OCCO3)s2)CCCC1 ZINC000850351772 1021483006 /nfs/dbraw/zinc/48/30/06/1021483006.db2.gz HIFPATJWOWYLCM-UHFFFAOYSA-N 0 3 322.474 3.805 20 30 DHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)COC2 ZINC000618805361 1021530695 /nfs/dbraw/zinc/53/06/95/1021530695.db2.gz NTJJRCJNUZGQQX-XCLFUZPHSA-N 0 3 304.393 3.927 20 30 DHEDHN Cc1c([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)cnn1C(C)C ZINC000618807428 1021533690 /nfs/dbraw/zinc/53/36/90/1021533690.db2.gz YSCSOCQHQLCRKH-DJJJIMSYSA-N 0 3 308.429 3.982 20 30 DHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1CC2(C1)CCCCC2 ZINC000850758512 1021641796 /nfs/dbraw/zinc/64/17/96/1021641796.db2.gz AHJXOCYLUKCXOT-INIZCTEOSA-N 0 3 310.397 3.694 20 30 DHEDHN COC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000613667778 1021674731 /nfs/dbraw/zinc/67/47/31/1021674731.db2.gz PUCMWELSUOSBCD-UGFHNGPFSA-N 0 3 312.335 3.675 20 30 DHEDHN COc1cccc(-c2csc(CNCCCCC#N)n2)c1 ZINC000892930033 1021688492 /nfs/dbraw/zinc/68/84/92/1021688492.db2.gz NQQCFXAJEDMUHB-UHFFFAOYSA-N 0 3 301.415 3.602 20 30 DHEDHN CC#CCN[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000538151673 1032997975 /nfs/dbraw/zinc/99/79/75/1032997975.db2.gz UTGLVRLWPGBDGN-MRXNPFEDSA-N 0 3 309.409 3.948 20 30 DHEDHN CC(C)[C@H](CO)N(Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000128335263 1021734236 /nfs/dbraw/zinc/73/42/36/1021734236.db2.gz SNGRVKITOJBSHW-SFHVURJKSA-N 0 3 314.454 3.639 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000556518070 1021751079 /nfs/dbraw/zinc/75/10/79/1021751079.db2.gz CTUBTUJYQWTION-IRXDYDNUSA-N 0 3 323.358 3.700 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2C[C@](C)(OC)C2(C)C)c([O-])c1 ZINC000745975749 1021816863 /nfs/dbraw/zinc/81/68/63/1021816863.db2.gz APMVYHBKKNHFIX-HUGLALDMSA-N 0 3 318.461 3.861 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(CO)c1 ZINC000619754634 1021861121 /nfs/dbraw/zinc/86/11/21/1021861121.db2.gz GJFWNZNFQWOWEV-GFCCVEGCSA-N 0 3 300.789 3.555 20 30 DHEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000619754503 1021864507 /nfs/dbraw/zinc/86/45/07/1021864507.db2.gz BOKPMIGEOMGODF-KRWDZBQOSA-N 0 3 312.800 3.997 20 30 DHEDHN N#Cc1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1Cl ZINC000619748769 1021885323 /nfs/dbraw/zinc/88/53/23/1021885323.db2.gz NZMSOKRBCNEJSX-UHFFFAOYSA-N 0 3 322.799 3.892 20 30 DHEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CCC1 ZINC000348450013 1033021586 /nfs/dbraw/zinc/02/15/86/1033021586.db2.gz BIRUHCZMJLSWGQ-DOTOQJQBSA-N 0 3 300.446 3.540 20 30 DHEDHN C=C[C@@H](N[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001168841264 1022150247 /nfs/dbraw/zinc/15/02/47/1022150247.db2.gz YIAKKHCYQXEACA-USXIJHARSA-N 0 3 316.445 3.901 20 30 DHEDHN COc1ccc(CN[C@@]2(c3ccccc3)CC2(C)C)cc1C#N ZINC000852772352 1022174699 /nfs/dbraw/zinc/17/46/99/1022174699.db2.gz LVEIDQHQEMLWNM-HXUWFJFHSA-N 0 3 306.409 3.982 20 30 DHEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000181593853 1022312257 /nfs/dbraw/zinc/31/22/57/1022312257.db2.gz ATIMOMXVCWVWRZ-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN C=CCOc1ccccc1[C@H](C)N[C@@H](C)CC(=O)N(CC)CC ZINC001169448682 1022407690 /nfs/dbraw/zinc/40/76/90/1022407690.db2.gz KYQCDPRTRPFLSP-HOTGVXAUSA-N 0 3 318.461 3.549 20 30 DHEDHN N#CC(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccccn1 ZINC000103329832 1022505861 /nfs/dbraw/zinc/50/58/61/1022505861.db2.gz ZUUVYJQRNUMYDS-KGLIPLIRSA-N 0 3 318.298 3.994 20 30 DHEDHN C=CCCCSc1nnc(CCN2CCCCC2)n1CC=C ZINC000156937445 1022508626 /nfs/dbraw/zinc/50/86/26/1022508626.db2.gz ZSPTXQYRCBFBTK-UHFFFAOYSA-N 0 3 320.506 3.551 20 30 DHEDHN CS[C@@H](C)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000103330754 1022508785 /nfs/dbraw/zinc/50/87/85/1022508785.db2.gz ALPRSMBAMIJAMA-CBAPKCEASA-N 0 3 310.831 3.877 20 30 DHEDHN C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2ncccc2[O-])cc1 ZINC001169736265 1022528442 /nfs/dbraw/zinc/52/84/42/1022528442.db2.gz FZQXYAVFGSWAOE-GOSISDBHSA-N 0 3 309.413 3.722 20 30 DHEDHN C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ncccc2[O-])cc1 ZINC001169736265 1022528455 /nfs/dbraw/zinc/52/84/55/1022528455.db2.gz FZQXYAVFGSWAOE-GOSISDBHSA-N 0 3 309.413 3.722 20 30 DHEDHN C=CCNC(=O)CN[C@H](c1ccc(Cl)c(Cl)c1)C(C)C ZINC000180028602 1022610400 /nfs/dbraw/zinc/61/04/00/1022610400.db2.gz HQSQYAKZJJUFHZ-HNNXBMFYSA-N 0 3 315.244 3.582 20 30 DHEDHN C#CCCOc1ccc(CNCc2cccc3cccnc32)cc1 ZINC000113330633 1022635922 /nfs/dbraw/zinc/63/59/22/1022635922.db2.gz FJTMPVYSYZWRRG-UHFFFAOYSA-N 0 3 316.404 3.927 20 30 DHEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccccc2C)ccc1OC ZINC000113347923 1022636258 /nfs/dbraw/zinc/63/62/58/1022636258.db2.gz NYXVUNWNGZVBBK-SFHVURJKSA-N 0 3 324.424 3.974 20 30 DHEDHN Cc1ccccc1N1CCN([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172309935 1033077762 /nfs/dbraw/zinc/07/77/62/1033077762.db2.gz YCNSDZODUGICLQ-GOSISDBHSA-N 0 3 319.452 3.620 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(OC)cc2)c1 ZINC000113961162 1022764860 /nfs/dbraw/zinc/76/48/60/1022764860.db2.gz HVJJIPDSRLIEBP-QGZVFWFLSA-N 0 3 310.397 3.666 20 30 DHEDHN CCCc1ccc(CNCc2ccc(OCC#N)cc2)s1 ZINC000856769136 1022860041 /nfs/dbraw/zinc/86/00/41/1022860041.db2.gz HZFQYNDQGKFDPE-UHFFFAOYSA-N 0 3 300.427 3.893 20 30 DHEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)oc1C ZINC000768168554 1022911475 /nfs/dbraw/zinc/91/14/75/1022911475.db2.gz UKUHOPZRYNLKTG-CYBMUJFWSA-N 0 3 316.744 3.511 20 30 DHEDHN COC(=O)c1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418144423 1022969575 /nfs/dbraw/zinc/96/95/75/1022969575.db2.gz KOXDHHILWLKGDQ-LJQANCHMSA-N 0 3 320.392 3.512 20 30 DHEDHN C[C@@H](N)c1nc2ccccc2n1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172290967 1033095179 /nfs/dbraw/zinc/09/51/79/1033095179.db2.gz UMDMGVWADJETJW-UONOGXRCSA-N 0 3 304.397 3.731 20 30 DHEDHN Cc1ccc(CN[C@H](C)c2ccc3c(c2)OCCCO3)cc1C#N ZINC000859229717 1033109389 /nfs/dbraw/zinc/10/93/89/1033109389.db2.gz OUYCBHXCMVQWBY-OAHLLOKOSA-N 0 3 322.408 3.879 20 30 DHEDHN Cc1ccc(O)c(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000769548197 1023177162 /nfs/dbraw/zinc/17/71/62/1023177162.db2.gz HZBQQEAONMBAFJ-RTBURBONSA-N 0 3 306.409 3.972 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(Cl)c1OC(C)C ZINC000876669802 1033116757 /nfs/dbraw/zinc/11/67/57/1033116757.db2.gz YPOMGVZZVYGVPN-LLVKDONJSA-N 0 3 317.216 3.536 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000876670190 1033117418 /nfs/dbraw/zinc/11/74/18/1033117418.db2.gz ACWRKMLNKBJHIV-MRXNPFEDSA-N 0 3 322.836 3.807 20 30 DHEDHN COc1cccc([O-])c1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000770381406 1023300273 /nfs/dbraw/zinc/30/02/73/1023300273.db2.gz QXPQSFOPYOUISE-UHFFFAOYSA-N 0 3 320.392 3.562 20 30 DHEDHN COc1cccc([O-])c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000770381406 1023300304 /nfs/dbraw/zinc/30/03/04/1023300304.db2.gz QXPQSFOPYOUISE-UHFFFAOYSA-N 0 3 320.392 3.562 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\CCc2cnc(C)s2)c([O-])c1 ZINC000771837904 1023474424 /nfs/dbraw/zinc/47/44/24/1023474424.db2.gz YSTJEZFOQOMJEG-WQRHYEAKSA-N 0 3 317.458 3.665 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000771938321 1023490930 /nfs/dbraw/zinc/49/09/30/1023490930.db2.gz JRMWCIUQIJQCFM-FQEVSTJZSA-N 0 3 305.425 3.983 20 30 DHEDHN CCc1ccc([C@@H]2CCCN(Cc3cc(C#N)ccn3)C2)cc1 ZINC001170038458 1023518014 /nfs/dbraw/zinc/51/80/14/1023518014.db2.gz FHASYPJVMUCMQH-LJQANCHMSA-N 0 3 305.425 3.895 20 30 DHEDHN C=CCc1cc(CN2CCC[C@H](OC(C)C)C2)cc(OC)c1O ZINC000651897727 1023622395 /nfs/dbraw/zinc/62/23/95/1023622395.db2.gz JEHSOUKHPLUBSC-KRWDZBQOSA-N 0 3 319.445 3.519 20 30 DHEDHN C[NH+](C)CCc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000786028254 1023649316 /nfs/dbraw/zinc/64/93/16/1023649316.db2.gz SVQPOMFEHWLRNJ-DEDYPNTBSA-N 0 3 316.832 3.769 20 30 DHEDHN C=CCN(CC(=O)N(C)[C@@H](C)c1ccccc1OC)C(C)(C)C ZINC000661756301 1023731412 /nfs/dbraw/zinc/73/14/12/1023731412.db2.gz JJELIDVTTJTLQD-HNNXBMFYSA-N 0 3 318.461 3.501 20 30 DHEDHN C=CCOC[C@@H]1c2c(ncn2C)CCN1[C@@H](C)CCCC(C)C ZINC001170083263 1023864653 /nfs/dbraw/zinc/86/46/53/1023864653.db2.gz OGOSLRHQZRRPNW-FUHWJXTLSA-N 0 3 319.493 3.737 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000662086477 1023895555 /nfs/dbraw/zinc/89/55/55/1023895555.db2.gz UBFFTBWYMLWPDT-HRCADAONSA-N 0 3 321.424 3.745 20 30 DHEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000268633905 1024135332 /nfs/dbraw/zinc/13/53/32/1024135332.db2.gz LARKJLINJFTOLU-DZGCQCFKSA-N 0 3 302.443 3.760 20 30 DHEDHN C[C@H](c1ccc(F)c(F)c1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268637195 1024136058 /nfs/dbraw/zinc/13/60/58/1024136058.db2.gz RKRHTBMVIFXOMM-KZULUSFZSA-N 0 3 316.351 3.563 20 30 DHEDHN COCc1c(C)cc(C)c(CNCc2cccc(C#N)c2)c1C ZINC000882887564 1024161379 /nfs/dbraw/zinc/16/13/79/1024161379.db2.gz YDROAVWSGBKANX-UHFFFAOYSA-N 0 3 308.425 3.920 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000883132356 1024254633 /nfs/dbraw/zinc/25/46/33/1024254633.db2.gz OQTVXWALLGBJQG-UHFFFAOYSA-N 0 3 304.393 3.640 20 30 DHEDHN N#Cc1ccc(C2(NCc3cccc(Cl)c3N)CCC2)cc1 ZINC000883162420 1024263441 /nfs/dbraw/zinc/26/34/41/1024263441.db2.gz SESYFQAPSORMTR-UHFFFAOYSA-N 0 3 311.816 3.963 20 30 DHEDHN C#Cc1ccc(CN[C@H]2CCCOc3c(OC)cccc32)cc1 ZINC000883330015 1024384496 /nfs/dbraw/zinc/38/44/96/1024384496.db2.gz WDTDVCDPRWYIJL-SFHVURJKSA-N 0 3 307.393 3.680 20 30 DHEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128732916 1024412348 /nfs/dbraw/zinc/41/23/48/1024412348.db2.gz YWJJYPMKILVADT-MRXNPFEDSA-N 0 3 318.332 3.702 20 30 DHEDHN CC[C@@H](COCC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000453258044 1024429684 /nfs/dbraw/zinc/42/96/84/1024429684.db2.gz NUOGKWJSQNBBQW-JQWIXIFHSA-N 0 3 318.314 3.705 20 30 DHEDHN N#CC[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000453285578 1024438862 /nfs/dbraw/zinc/43/88/62/1024438862.db2.gz BTXDFLRSWYABBR-FNHZYXHNSA-N 0 3 309.388 3.982 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccc1Br ZINC000453332895 1024465644 /nfs/dbraw/zinc/46/56/44/1024465644.db2.gz CRXXULJGLMLUQU-GLQYFDAESA-N 0 3 310.235 3.833 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCC[C@@H]2OC)c([O-])c1 ZINC000132365696 1024472156 /nfs/dbraw/zinc/47/21/56/1024472156.db2.gz QQGUSKLYJHMQKD-JFLZBYRCSA-N 0 3 304.434 3.615 20 30 DHEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(C#N)s1 ZINC000271476775 1024517341 /nfs/dbraw/zinc/51/73/41/1024517341.db2.gz LIJIEEBIDIMNQF-BZNIZROVSA-N 0 3 304.390 3.625 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2ccc(O)cc21 ZINC000585726464 1024576744 /nfs/dbraw/zinc/57/67/44/1024576744.db2.gz ASCCLGFDVMSXTE-PMACEKPBSA-N 0 3 304.393 3.918 20 30 DHEDHN N#Cc1ccc2ncc(CNC3(c4ccc(F)cc4)CCC3)n2c1 ZINC000585766863 1024605164 /nfs/dbraw/zinc/60/51/64/1024605164.db2.gz KTWLLCRKCOYWLQ-UHFFFAOYSA-N 0 3 320.371 3.514 20 30 DHEDHN CCCCCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000759956616 1024606454 /nfs/dbraw/zinc/60/64/54/1024606454.db2.gz KRXHTAXZROABFV-MJGOQNOKSA-N 0 3 302.462 3.909 20 30 DHEDHN COc1ccc(CN2CC(C3CCC3)C2)cc1OCCCC#N ZINC000348710832 1024606988 /nfs/dbraw/zinc/60/69/88/1024606988.db2.gz DSHBMNRWXAJCHR-UHFFFAOYSA-N 0 3 314.429 3.610 20 30 DHEDHN Cc1cc(C)cc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000107072131 1024608784 /nfs/dbraw/zinc/60/87/84/1024608784.db2.gz IPZVLLBMCRAYIS-HOTGVXAUSA-N 0 3 321.424 3.853 20 30 DHEDHN COC1(C(=O)C(C#N)c2nccc3ccccc32)CCCCC1 ZINC000792099206 1024623650 /nfs/dbraw/zinc/62/36/50/1024623650.db2.gz GPUPXDZIYXNWDI-INIZCTEOSA-N 0 3 308.381 3.760 20 30 DHEDHN N#CC(C(=O)CCC1CCOCC1)c1nccc2ccccc21 ZINC000792103291 1024625967 /nfs/dbraw/zinc/62/59/67/1024625967.db2.gz RLHSTLLCCGZSTA-QGZVFWFLSA-N 0 3 308.381 3.618 20 30 DHEDHN C=CCOc1ccc(CN2CCC=C(c3ccncc3)C2)cc1 ZINC000348838392 1024630577 /nfs/dbraw/zinc/63/05/77/1024630577.db2.gz OZKOYDKDDNKRTI-UHFFFAOYSA-N 0 3 306.409 3.936 20 30 DHEDHN C[C@H](CCCC#N)N1CCN(c2nsc3ccccc32)CC1 ZINC001172495248 1033227043 /nfs/dbraw/zinc/22/70/43/1033227043.db2.gz CMYLKNVPCDECOC-CQSZACIVSA-N 0 3 314.458 3.501 20 30 DHEDHN C[C@H](CCCC#N)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172499417 1033229012 /nfs/dbraw/zinc/22/90/12/1033229012.db2.gz XBQWHQVEPCALMF-OAGGEKHMSA-N 0 3 321.465 3.543 20 30 DHEDHN N#Cc1ccc(CNc2cc(CN3CCCCC3)ccn2)s1 ZINC001170199216 1024699130 /nfs/dbraw/zinc/69/91/30/1024699130.db2.gz LERYINHGHZPIKT-UHFFFAOYSA-N 0 3 312.442 3.613 20 30 DHEDHN C[C@@H](CCCC#N)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001172500386 1033229609 /nfs/dbraw/zinc/22/96/09/1033229609.db2.gz NCAQJZRDFFUFQP-VGWMRTNUSA-N 0 3 306.450 3.511 20 30 DHEDHN C[C@@H](CCCC#N)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001172500092 1033230190 /nfs/dbraw/zinc/23/01/90/1033230190.db2.gz JPPBFRZIHGBJDG-HNNXBMFYSA-N 0 3 305.853 3.540 20 30 DHEDHN CC(C)O[C@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C1(C)C ZINC001170399971 1024768316 /nfs/dbraw/zinc/76/83/16/1024768316.db2.gz OVGGFXZEFHHKAR-IRXDYDNUSA-N 0 3 305.849 3.873 20 30 DHEDHN COc1ccc([C@H]2CSCCN2[C@H](C)CCCC#N)cc1 ZINC001172506938 1033234692 /nfs/dbraw/zinc/23/46/92/1033234692.db2.gz MGOQRHGCUGWBGD-RHSMWYFYSA-N 0 3 304.459 3.867 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCCC1CC(F)(F)C1 ZINC001202682961 1024860984 /nfs/dbraw/zinc/86/09/84/1024860984.db2.gz IKPJYLQVOXENIT-UHFFFAOYSA-N 0 3 313.775 3.877 20 30 DHEDHN Fc1ccc(NCC#Cc2ccccc2)cc1CN1CCCC1 ZINC001170429183 1024981828 /nfs/dbraw/zinc/98/18/28/1024981828.db2.gz KLESMOVRBJNTBL-UHFFFAOYSA-N 0 3 308.400 3.885 20 30 DHEDHN Cc1ccc(CN[C@@H](C)CC(C)(C)C#N)c(O[C@@H]2CCOC2)c1 ZINC000925268460 1024982646 /nfs/dbraw/zinc/98/26/46/1024982646.db2.gz MFEYNERFWDZZMZ-DOTOQJQBSA-N 0 3 316.445 3.581 20 30 DHEDHN COCc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccc1F ZINC000353271488 1025008277 /nfs/dbraw/zinc/00/82/77/1025008277.db2.gz YSCHJPFNIDZNAA-LJQANCHMSA-N 0 3 310.372 3.621 20 30 DHEDHN C=CCCn1cc(CN[C@@H]2CCCC[C@H]2c2ccccc2)nn1 ZINC000653622528 1025059194 /nfs/dbraw/zinc/05/91/94/1025059194.db2.gz HMEMBCBWLHKQMD-RBUKOAKNSA-N 0 3 310.445 3.670 20 30 DHEDHN Cc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000353425041 1025062529 /nfs/dbraw/zinc/06/25/29/1025062529.db2.gz VZEQKDCAZSTOJZ-UHFFFAOYSA-N 0 3 312.438 3.972 20 30 DHEDHN CC(=NN[C@@H](C)COc1ccccc1)c1c(C)cc(N)cc1C ZINC000884469966 1025128778 /nfs/dbraw/zinc/12/87/78/1025128778.db2.gz AVWPBIKFKWWVHD-HNNXBMFYSA-N 0 3 311.429 3.667 20 30 DHEDHN CN(C)C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000353598930 1025146689 /nfs/dbraw/zinc/14/66/89/1025146689.db2.gz VIJMYASAKKDOMI-WOJBJXKFSA-N 0 3 323.415 3.577 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2n[nH]cc2c1 ZINC000353592427 1025146776 /nfs/dbraw/zinc/14/67/76/1025146776.db2.gz AVTFBSOPPCOYJH-CWTRNNRKSA-N 0 3 302.381 3.773 20 30 DHEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(N2CCCC2)n1 ZINC000353627567 1025161618 /nfs/dbraw/zinc/16/16/18/1025161618.db2.gz LELRZMGIYVSDDU-MRXNPFEDSA-N 0 3 320.440 3.713 20 30 DHEDHN COc1ccc2c(c1)[C@H](NCc1ccc(C#N)c(OC)c1)CCC2 ZINC000353663870 1025189050 /nfs/dbraw/zinc/18/90/50/1025189050.db2.gz VRQRJZHVNPNFKF-LJQANCHMSA-N 0 3 322.408 3.743 20 30 DHEDHN N#CCCC[C@H](NCc1cnc2ccccn12)c1ccccc1 ZINC000353910812 1025288127 /nfs/dbraw/zinc/28/81/27/1025288127.db2.gz ADZZJTCAFYYIHW-SFHVURJKSA-N 0 3 304.397 3.859 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000354127273 1025364850 /nfs/dbraw/zinc/36/48/50/1025364850.db2.gz NEESADWLQSXGTN-SNVBAGLBSA-N 0 3 321.302 3.528 20 30 DHEDHN C=CCC[C@H](O)CN1CC=C(c2ccccc2OCC)CC1 ZINC000124460733 1025431045 /nfs/dbraw/zinc/43/10/45/1025431045.db2.gz VYKFDXUDIDOROD-KRWDZBQOSA-N 0 3 301.430 3.502 20 30 DHEDHN CC[C@@H](C)N[C@@H](CNc1snc(Cl)c1C#N)c1ccco1 ZINC000804780876 1025481827 /nfs/dbraw/zinc/48/18/27/1025481827.db2.gz FEEAHLHITVUVAK-KOLCDFICSA-N 0 3 324.837 3.802 20 30 DHEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000125964684 1025497856 /nfs/dbraw/zinc/49/78/56/1025497856.db2.gz NYXCPVJBANPHQQ-HUUCEWRRSA-N 0 3 306.475 3.698 20 30 DHEDHN C=CCOc1ccccc1CN1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000355278024 1025664566 /nfs/dbraw/zinc/66/45/66/1025664566.db2.gz XOFMRZIUVGSPLH-FUHWJXTLSA-N 0 3 311.429 3.531 20 30 DHEDHN N#CC(C(=O)c1ccnc2ccncc21)c1nccc2ccccc21 ZINC000355405426 1025710161 /nfs/dbraw/zinc/71/01/61/1025710161.db2.gz XYRWSVZZWVDDRA-INIZCTEOSA-N 0 3 324.343 3.668 20 30 DHEDHN C#CCN(C(=O)c1ccc(C2CCCC2)cc1)C1CCN(C)CC1 ZINC000886576008 1025716628 /nfs/dbraw/zinc/71/66/28/1025716628.db2.gz SVACJNFBTPMVIV-UHFFFAOYSA-N 0 3 324.468 3.514 20 30 DHEDHN CC(C)Cc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cn1 ZINC000894101396 1025779084 /nfs/dbraw/zinc/77/90/84/1025779084.db2.gz GMLLCTBBJOUPKW-FQEVSTJZSA-N 0 3 305.425 3.929 20 30 DHEDHN Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)c2c(n1)CCCC2 ZINC000894102552 1025788020 /nfs/dbraw/zinc/78/80/20/1025788020.db2.gz OQBBIMPVGXWRKU-FQEVSTJZSA-N 0 3 317.436 3.918 20 30 DHEDHN C=CCC1(O)CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000886764039 1025883757 /nfs/dbraw/zinc/88/37/57/1025883757.db2.gz JYGMRUYYKYJZDY-UHFFFAOYSA-N 0 3 324.424 3.777 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886830547 1025952132 /nfs/dbraw/zinc/95/21/32/1025952132.db2.gz SYOBBPZKJMPFRV-WBVHZDCISA-N 0 3 323.358 3.558 20 30 DHEDHN C=C(C)CCN[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000419241172 1025980340 /nfs/dbraw/zinc/98/03/40/1025980340.db2.gz PYWHKACONPKMFO-LJQANCHMSA-N 0 3 324.424 3.931 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000084599907 1026004767 /nfs/dbraw/zinc/00/47/67/1026004767.db2.gz VUIXNPAEXKDLQJ-INIZCTEOSA-N 0 3 322.452 3.710 20 30 DHEDHN CC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CC1(C)C ZINC000419319387 1026152193 /nfs/dbraw/zinc/15/21/93/1026152193.db2.gz ORCDWDRRUDBSFW-GJZGRUSLSA-N 0 3 310.401 3.523 20 30 DHEDHN C[C@@H](NCC#Cc1ccccc1Cl)c1ccc2n[nH]cc2c1 ZINC000513177755 1026459431 /nfs/dbraw/zinc/45/94/31/1026459431.db2.gz IUHODXHWVIUMQP-CYBMUJFWSA-N 0 3 309.800 3.919 20 30 DHEDHN C#Cc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000809538262 1026546820 /nfs/dbraw/zinc/54/68/20/1026546820.db2.gz LSPHJUIVYDILAE-HXUWFJFHSA-N 0 3 321.420 3.555 20 30 DHEDHN C#Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000809538262 1026546824 /nfs/dbraw/zinc/54/68/24/1026546824.db2.gz LSPHJUIVYDILAE-HXUWFJFHSA-N 0 3 321.420 3.555 20 30 DHEDHN C#C[C@H](NCc1c(C)nn(-c2ccc(F)cc2)c1C)C(C)(C)C ZINC000809781741 1026622015 /nfs/dbraw/zinc/62/20/15/1026622015.db2.gz YZBOSYVZUKKNRP-SFHVURJKSA-N 0 3 313.420 3.766 20 30 DHEDHN Cn1nc(C(F)(F)F)c(CNCC(C)(C)CCC#N)c1Cl ZINC000809778197 1026622160 /nfs/dbraw/zinc/62/21/60/1026622160.db2.gz LYXPDENYURSCQX-UHFFFAOYSA-N 0 3 322.762 3.512 20 30 DHEDHN Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000183186589 1026685446 /nfs/dbraw/zinc/68/54/46/1026685446.db2.gz KDEXLQDXEUWRQN-UHFFFAOYSA-N 0 3 320.440 3.647 20 30 DHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(-c2ccsc2)n1 ZINC000280660826 1026687237 /nfs/dbraw/zinc/68/72/37/1026687237.db2.gz PBTWVQKWINDQKL-SWLSCSKDSA-N 0 3 320.483 3.942 20 30 DHEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000362268487 1027123765 /nfs/dbraw/zinc/12/37/65/1027123765.db2.gz CJVBYBSPBJBDPE-AWEZNQCLSA-N 0 3 310.445 3.863 20 30 DHEDHN C[C@H]1CN(CCCCC2(C#N)CCC2)CC[C@H](C(F)(F)F)O1 ZINC000931615397 1027189223 /nfs/dbraw/zinc/18/92/23/1027189223.db2.gz AOHPSXBLAWIRJD-UONOGXRCSA-N 0 3 318.383 3.892 20 30 DHEDHN Clc1ccccc1C#CCN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000573840352 1027332677 /nfs/dbraw/zinc/33/26/77/1027332677.db2.gz UZXKQJBZNIGSPP-FUHWJXTLSA-N 0 3 303.833 3.583 20 30 DHEDHN CC(C)(C#N)CCN[C@H]1CCOc2ccc(Br)cc21 ZINC000932205023 1027412943 /nfs/dbraw/zinc/41/29/43/1027412943.db2.gz CEFKQZLLYJTRBA-ZDUSSCGKSA-N 0 3 323.234 3.802 20 30 DHEDHN C#C[C@H](N[C@H](C)CCc1n[nH]c2ccccc12)c1ccc(F)cc1 ZINC000812795260 1027422014 /nfs/dbraw/zinc/42/20/14/1027422014.db2.gz PEGDOCDMBQSPCQ-KDOFPFPSSA-N 0 3 321.399 3.987 20 30 DHEDHN C#C[C@@H](N[C@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(F)cc1 ZINC000812792979 1027422346 /nfs/dbraw/zinc/42/23/46/1027422346.db2.gz KRXAYPLBAKTGHZ-CRAIPNDOSA-N 0 3 304.368 3.738 20 30 DHEDHN C#C[C@@H](N[C@@H]1CCc2ccc(OC)cc2C1)c1ccc(F)cc1 ZINC000812793960 1027422418 /nfs/dbraw/zinc/42/24/18/1027422418.db2.gz LHXWHYKVSVQBPA-UYAOXDASSA-N 0 3 309.384 3.656 20 30 DHEDHN C#C[C@H](N[C@H]1Cc2[nH]c3ccccc3c2C1)c1ccc(F)cc1 ZINC000812792981 1027422960 /nfs/dbraw/zinc/42/29/60/1027422960.db2.gz KRXAYPLBAKTGHZ-QAPCUYQASA-N 0 3 304.368 3.738 20 30 DHEDHN C=CCCCCNCc1c(F)ccc(C2OCCO2)c1Cl ZINC000812843541 1027440118 /nfs/dbraw/zinc/44/01/18/1027440118.db2.gz YZEDWCFFWOIZFL-UHFFFAOYSA-N 0 3 313.800 3.970 20 30 DHEDHN CCC#C[C@@H](C)N1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000812864116 1027458772 /nfs/dbraw/zinc/45/87/72/1027458772.db2.gz YBGBXCHMEGLCAF-OXQOHEQNSA-N 0 3 315.457 3.633 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000575851299 1027513798 /nfs/dbraw/zinc/51/37/98/1027513798.db2.gz IIICIWSVIKQSQK-DYVFJYSZSA-N 0 3 316.832 3.927 20 30 DHEDHN N#Cc1cccc(CN2CCC(c3nc4c(s3)CCC4)CC2)c1 ZINC000932620345 1027568764 /nfs/dbraw/zinc/56/87/64/1027568764.db2.gz DRNPAGYVNWVAAZ-UHFFFAOYSA-N 0 3 323.465 3.883 20 30 DHEDHN C=CCCCCCN1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000932656547 1027578844 /nfs/dbraw/zinc/57/88/44/1027578844.db2.gz VVVUMZVWQJDKEC-UHFFFAOYSA-N 0 3 321.383 3.940 20 30 DHEDHN CC(C)(C#N)CCCN1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000363306640 1027591165 /nfs/dbraw/zinc/59/11/65/1027591165.db2.gz JSZAIAKNFCACFU-GOSISDBHSA-N 0 3 308.429 3.618 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H](n3cnc4ccccc43)C2)cc1 ZINC000363483167 1027650965 /nfs/dbraw/zinc/65/09/65/1027650965.db2.gz FNJKLBLZPQDYRC-SFHVURJKSA-N 0 3 316.408 3.745 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1cc(=O)oc2cc(C)ccc12 ZINC000778995493 1027735719 /nfs/dbraw/zinc/73/57/19/1027735719.db2.gz AMXSCJCFJYPGNA-UHFFFAOYSA-N 0 3 323.392 3.925 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCC1(CCOCC)CC1 ZINC000778171193 1027737748 /nfs/dbraw/zinc/73/77/48/1027737748.db2.gz CJBASCKVWFCDCY-UHFFFAOYSA-N 0 3 321.848 3.648 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000778995938 1027747609 /nfs/dbraw/zinc/74/76/09/1027747609.db2.gz GGEDESDZNQCSTE-QGZVFWFLSA-N 0 3 305.805 3.697 20 30 DHEDHN N#CC1(C[C@H](O)CNCc2ccc(-c3ccccc3)cc2F)CC1 ZINC000600737188 1027808533 /nfs/dbraw/zinc/80/85/33/1027808533.db2.gz BZZZAQYKOWSEHZ-SFHVURJKSA-N 0 3 324.399 3.637 20 30 DHEDHN CC1(C)[C@H](NCc2ccc(F)c(C#N)c2Cl)[C@H]2CCCO[C@@H]21 ZINC000365244466 1027906805 /nfs/dbraw/zinc/90/68/05/1027906805.db2.gz JNKOVYVOBSZTLM-LYRGGWFBSA-N 0 3 322.811 3.644 20 30 DHEDHN CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000008003000 1027961362 /nfs/dbraw/zinc/96/13/62/1027961362.db2.gz UBVRLASRHPTIOJ-HNAYVOBHSA-N 0 3 321.424 3.872 20 30 DHEDHN CC(C)(CCC#N)CN1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000367467506 1028187343 /nfs/dbraw/zinc/18/73/43/1028187343.db2.gz PYEFLSKHDWHOOJ-GOSISDBHSA-N 0 3 308.429 3.618 20 30 DHEDHN C[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)c1cccs1 ZINC000367795006 1028238972 /nfs/dbraw/zinc/23/89/72/1028238972.db2.gz NJJVEJHJYYBIQX-CYBMUJFWSA-N 0 3 322.437 3.871 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@](O)(c3ccccc3)CC2)cc1F ZINC000368055990 1028290336 /nfs/dbraw/zinc/29/03/36/1028290336.db2.gz JQTDYPXBWQZWCZ-FQEVSTJZSA-N 0 3 324.399 3.571 20 30 DHEDHN CCOC(=O)C1(C#N)CCN([C@@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258073990 1028313790 /nfs/dbraw/zinc/31/37/90/1028313790.db2.gz HJIMDSFCZAMCRL-HOTGVXAUSA-N 0 3 308.466 3.616 20 30 DHEDHN CC(C)CN(Cc1ccc(C#N)cn1)[C@@H]1CCCc2cccnc21 ZINC000565155776 1028548795 /nfs/dbraw/zinc/54/87/95/1028548795.db2.gz GGRXXANNVDBVAP-LJQANCHMSA-N 0 3 320.440 3.884 20 30 DHEDHN CCCCCCCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000815590297 1028559565 /nfs/dbraw/zinc/55/95/65/1028559565.db2.gz QUFMEUUNHLZZBQ-MRXNPFEDSA-N 0 3 304.413 3.983 20 30 DHEDHN C=CCC[C@@H](O)CN(C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000370488775 1028608672 /nfs/dbraw/zinc/60/86/72/1028608672.db2.gz SKPZGMJPNQQWCW-UYAOXDASSA-N 0 3 310.441 3.738 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC2CCC1CC2 ZINC000815898304 1028649817 /nfs/dbraw/zinc/64/98/17/1028649817.db2.gz YSAOTCJSSZRGNU-PFSRBDOWSA-N 0 3 307.397 3.576 20 30 DHEDHN N#CCCN[C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000566130606 1028681020 /nfs/dbraw/zinc/68/10/20/1028681020.db2.gz CFEMFVLVIQGEHU-OAHLLOKOSA-N 0 3 307.235 3.664 20 30 DHEDHN COCC1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)CC1 ZINC000779194488 1028683716 /nfs/dbraw/zinc/68/37/16/1028683716.db2.gz MPGCIRXSSFSKNB-SNVBAGLBSA-N 0 3 320.801 3.553 20 30 DHEDHN N#CC(C(=O)C[C@@H]1C=CCC1)c1nc2ccccc2n1C(F)F ZINC000041558121 1028753033 /nfs/dbraw/zinc/75/30/33/1028753033.db2.gz FIJFCIUQSGGRMJ-VXGBXAGGSA-N 0 3 315.323 3.964 20 30 DHEDHN C=CCOc1ccc(CN2CCSC[C@H]2C2CC2)cc1OC ZINC000449528770 1028759977 /nfs/dbraw/zinc/75/99/77/1028759977.db2.gz RUYCTKBCEIEJEL-INIZCTEOSA-N 0 3 319.470 3.587 20 30 DHEDHN C=CC[C@H]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000628405798 1029043137 /nfs/dbraw/zinc/04/31/37/1029043137.db2.gz UXIPCBQPHGXEOU-LBPRGKRZSA-N 0 3 303.356 3.753 20 30 DHEDHN COc1cc(CN(C)CCC2(C#N)CCCCC2)ccc1O ZINC000411235921 1029073167 /nfs/dbraw/zinc/07/31/67/1029073167.db2.gz KDZCRAQPZJOLFZ-UHFFFAOYSA-N 0 3 302.418 3.697 20 30 DHEDHN C=CCCC[C@H](C)N(CC)CC(=O)Nc1cccc(OC)c1 ZINC000568979045 1029155169 /nfs/dbraw/zinc/15/51/69/1029155169.db2.gz KKKXDVWYDDVLAJ-HNNXBMFYSA-N 0 3 304.434 3.700 20 30 DHEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CCC1(C#N)CCCCC1 ZINC000411693970 1029186648 /nfs/dbraw/zinc/18/66/48/1029186648.db2.gz GPUBPGYFNZACCH-MSOLQXFVSA-N 0 3 324.472 3.904 20 30 DHEDHN C=CCCCN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000817583745 1029212342 /nfs/dbraw/zinc/21/23/42/1029212342.db2.gz IGEDMASYVMJZQX-LLVKDONJSA-N 0 3 301.253 3.913 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000374256894 1029262037 /nfs/dbraw/zinc/26/20/37/1029262037.db2.gz BLDFCPXGWFBNRA-JXFKEZNVSA-N 0 3 322.408 3.631 20 30 DHEDHN N#CCCCOc1cccc(CNCc2ccc(O)c(F)c2)c1 ZINC000120506472 1029264445 /nfs/dbraw/zinc/26/44/45/1029264445.db2.gz IJXAQWQUQBVGHB-UHFFFAOYSA-N 0 3 314.360 3.504 20 30 DHEDHN C[C@H](NN=C1CCCC[C@H]1N1CCCCC1)c1ccncc1 ZINC000819817085 1029614961 /nfs/dbraw/zinc/61/49/61/1029614961.db2.gz VILDMKOGJSVVRA-MAUKXSAKSA-N 0 3 300.450 3.517 20 30 DHEDHN N#Cc1ccc2c(c1)CCN([C@H]1CCc3cccc(F)c3C1)C2 ZINC001170983225 1029973716 /nfs/dbraw/zinc/97/37/16/1029973716.db2.gz CCEYNMAOBZVJSH-SFHVURJKSA-N 0 3 306.384 3.613 20 30 DHEDHN C=CC(C)(C)CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001136599923 1030067300 /nfs/dbraw/zinc/06/73/00/1030067300.db2.gz XZFZEBGCPJIFRB-GOSISDBHSA-N 0 3 314.473 3.932 20 30 DHEDHN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)C(C)C ZINC000533256434 1030227341 /nfs/dbraw/zinc/22/73/41/1030227341.db2.gz UYZNPEKUTHXKDL-LBPRGKRZSA-N 0 3 307.825 3.517 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(OCC#N)cc1 ZINC000823617301 1030343518 /nfs/dbraw/zinc/34/35/18/1030343518.db2.gz IBCBGPSSRQRKCQ-OAHLLOKOSA-N 0 3 305.381 3.654 20 30 DHEDHN CC[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000358175668 1030361840 /nfs/dbraw/zinc/36/18/40/1030361840.db2.gz MPGJIBSLCTVOKA-GOSISDBHSA-N 0 3 316.351 3.956 20 30 DHEDHN C[C@H](NC[C@@H]1c2ccccc2CN1C)c1ccc(C#N)cc1F ZINC000866563948 1030373449 /nfs/dbraw/zinc/37/34/49/1030373449.db2.gz QHDMPPGBAFJKCS-ORAYPTAESA-N 0 3 309.388 3.535 20 30 DHEDHN C=CC[C@@H](CO)CN[C@H](c1ccc(CC)cc1)c1cccnc1 ZINC000925699873 1030458465 /nfs/dbraw/zinc/45/84/65/1030458465.db2.gz XXWBPPLTGDOFPE-YLJYHZDGSA-N 0 3 310.441 3.508 20 30 DHEDHN N#CC(C(=O)CC/C=C/c1ccccc1)C(=O)NC1CCCCC1 ZINC000121673054 1030458978 /nfs/dbraw/zinc/45/89/78/1030458978.db2.gz WQSIIWHIRLPOQH-JGZYNSJSSA-N 0 3 324.424 3.638 20 30 DHEDHN C[C@H](N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358562509 1030536580 /nfs/dbraw/zinc/53/65/80/1030536580.db2.gz GXSOZIMIEZZAJY-YJBOKZPZSA-N 0 3 323.415 3.622 20 30 DHEDHN C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358562507 1030536944 /nfs/dbraw/zinc/53/69/44/1030536944.db2.gz GXSOZIMIEZZAJY-QAPCUYQASA-N 0 3 323.415 3.622 20 30 DHEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C12CCC2 ZINC000358580580 1030545138 /nfs/dbraw/zinc/54/51/38/1030545138.db2.gz YDIJZWTWUIGNHF-JCURWCKSSA-N 0 3 302.393 3.696 20 30 DHEDHN CC(C)(C#N)CNC1CC(c2ccc(Br)cc2)C1 ZINC000122315842 1030647164 /nfs/dbraw/zinc/64/71/64/1030647164.db2.gz HXKUDFQRBFRKFE-UHFFFAOYSA-N 0 3 307.235 3.834 20 30 DHEDHN CCOc1ccc2c(c1)[C@H](N[C@@H](C)CC(C)(C)C#N)CCO2 ZINC000926209674 1030657820 /nfs/dbraw/zinc/65/78/20/1030657820.db2.gz GTVXHRDBQQTAIU-XJKSGUPXSA-N 0 3 302.418 3.827 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000926368293 1030712900 /nfs/dbraw/zinc/71/29/00/1030712900.db2.gz VEHSPNJJWRBOJS-SJLPKXTDSA-N 0 3 323.440 3.508 20 30 DHEDHN CCO[C@H]1C[C@@H](NCc2cccc(C#N)c2F)C12CCCC2 ZINC000358996335 1030717465 /nfs/dbraw/zinc/71/74/65/1030717465.db2.gz DXCKCYKTKFFLAA-CVEARBPZSA-N 0 3 302.393 3.525 20 30 DHEDHN N#CC1(c2ccccc2)CCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC001137041073 1030818628 /nfs/dbraw/zinc/81/86/28/1030818628.db2.gz IYZGHNIXMDTLEK-UHFFFAOYSA-N 0 3 316.408 3.620 20 30 DHEDHN N#CC1(c2ccccc2)CCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC001137041073 1030818654 /nfs/dbraw/zinc/81/86/54/1030818654.db2.gz IYZGHNIXMDTLEK-UHFFFAOYSA-N 0 3 316.408 3.620 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cc(OC)cc(OC)c1 ZINC000536642816 1030896080 /nfs/dbraw/zinc/89/60/80/1030896080.db2.gz ASPCRTZOKFKPND-UHFFFAOYSA-N 0 3 324.424 3.988 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCc2ccccc2)c1 ZINC000127740548 1030904972 /nfs/dbraw/zinc/90/49/72/1030904972.db2.gz JMVGYWAYCRKGLM-GOSISDBHSA-N 0 3 320.392 3.665 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000926780652 1030921634 /nfs/dbraw/zinc/92/16/34/1030921634.db2.gz PWMBCUBCYWTVLW-NHYWBVRUSA-N 0 3 312.816 3.821 20 30 DHEDHN N#Cc1ccc2c(c1)C[C@H](N[C@@H]1COCc3cccc(Cl)c31)C2 ZINC000926812956 1030940099 /nfs/dbraw/zinc/94/00/99/1030940099.db2.gz PYGWCYSXKJKSQY-SJLPKXTDSA-N 0 3 324.811 3.540 20 30 DHEDHN N=C(N[C@H]1CCc2cc(Cl)ccc2C1)c1ccc(Cl)cn1 ZINC001171100022 1030945172 /nfs/dbraw/zinc/94/51/72/1030945172.db2.gz NKGIFHHDGVFXMC-AWEZNQCLSA-N 0 3 320.223 3.651 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000558941596 1030954705 /nfs/dbraw/zinc/95/47/05/1030954705.db2.gz UJCZXJMABLNJQF-CVEARBPZSA-N 0 3 323.868 3.597 20 30 DHEDHN COc1cccc2c1OCCC[C@H]2N[C@@H](C)CC(C)(C)C#N ZINC000926858988 1030956044 /nfs/dbraw/zinc/95/60/44/1030956044.db2.gz QTNQAJGMRVHBAI-DZGCQCFKSA-N 0 3 302.418 3.827 20 30 DHEDHN N#Cc1cccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000292563893 1031075996 /nfs/dbraw/zinc/07/59/96/1031075996.db2.gz BEBWDMBYOTTWMA-IBGZPJMESA-N 0 3 306.409 3.552 20 30 DHEDHN CC[C@H](CC#N)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805929138 1031090969 /nfs/dbraw/zinc/09/09/69/1031090969.db2.gz VIQZFRGBYWSURH-QGZVFWFLSA-N 0 3 314.429 3.524 20 30 DHEDHN C=CCCn1cc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)nn1 ZINC000653712468 1031170767 /nfs/dbraw/zinc/17/07/67/1031170767.db2.gz GLJVJJFQCFWMJV-JTDSTZFVSA-N 0 3 310.445 3.621 20 30 DHEDHN CC1(C)CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCC[C@H]21 ZINC000293048318 1031302507 /nfs/dbraw/zinc/30/25/07/1031302507.db2.gz MPABYXSVFPKKKA-HZPDHXFCSA-N 0 3 322.412 3.619 20 30 DHEDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2C#N)C1)c1ccccc1[O-] ZINC000360711033 1031532380 /nfs/dbraw/zinc/53/23/80/1031532380.db2.gz JCNMTPIGLLYGNE-DOTOQJQBSA-N 0 3 321.424 3.583 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1ccc(F)c(F)c1F ZINC001171179287 1031572831 /nfs/dbraw/zinc/57/28/31/1031572831.db2.gz QPGNPGBQKLCOSP-NSHDSACASA-N 0 3 304.315 3.696 20 30 DHEDHN Cc1nn(C)cc1[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360831453 1031578827 /nfs/dbraw/zinc/57/88/27/1031578827.db2.gz FJDOUHJMXVQAKE-DJJJIMSYSA-N 0 3 308.429 3.719 20 30 DHEDHN N#CC(C(=O)[C@@H]1CCc2ccccc2C1)c1nc2ccccc2[nH]1 ZINC000845436908 1031582974 /nfs/dbraw/zinc/58/29/74/1031582974.db2.gz ODUBCPYIZZDVID-CVEARBPZSA-N 0 3 315.376 3.544 20 30 DHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2CCOCC2)c(F)c1 ZINC000772922162 1031589398 /nfs/dbraw/zinc/58/93/98/1031589398.db2.gz XVXBTTSIFIBIJZ-HXUWFJFHSA-N 0 3 324.399 3.955 20 30 DHEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1csc(C)n1)C(C)C ZINC000361098559 1031726216 /nfs/dbraw/zinc/72/62/16/1031726216.db2.gz UEJKHYYXGNRRML-PBHICJAKSA-N 0 3 307.507 3.801 20 30 DHEDHN CCC[C@@H](NC[C@H](O)CC#N)c1ccc(Cl)c(Cl)c1 ZINC000930212022 1031735598 /nfs/dbraw/zinc/73/55/98/1031735598.db2.gz GYSZUIPSTPCDKA-BXUZGUMPSA-N 0 3 301.217 3.699 20 30 DHEDHN CC([C@@H](OC(=O)CCCCCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000845877749 1031752392 /nfs/dbraw/zinc/75/23/92/1031752392.db2.gz GNJFGWCOZXEXSD-MLGOLLRUSA-N 0 3 322.336 3.549 20 30 DHEDHN COCCCC[C@@H](NCc1cncc(C#N)c1)c1ccccc1 ZINC000930276738 1031764393 /nfs/dbraw/zinc/76/43/93/1031764393.db2.gz SCAFAORNPJUSSA-LJQANCHMSA-N 0 3 309.413 3.601 20 30 DHEDHN CCn1ccnc1[C@@H]1CCCCN1CC1CCC(C#N)CC1 ZINC000930308528 1031775785 /nfs/dbraw/zinc/77/57/85/1031775785.db2.gz QRUHKQNPIMKKGV-JCYILVPMSA-N 0 3 300.450 3.760 20 30 DHEDHN COc1ccc(CN(Cc2cncc(C#N)c2)C(C)(C)C)cc1 ZINC000930503797 1031847598 /nfs/dbraw/zinc/84/75/98/1031847598.db2.gz FJQRLGLIJMEAML-UHFFFAOYSA-N 0 3 309.413 3.763 20 30 DHEDHN N#Cc1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000930610302 1031887499 /nfs/dbraw/zinc/88/74/99/1031887499.db2.gz CNGVKNDFRXFUFF-KSZLIROESA-N 0 3 318.848 3.727 20 30 DHEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC(C)(C)C1 ZINC000361472310 1031940674 /nfs/dbraw/zinc/94/06/74/1031940674.db2.gz XAVISJYEGNBVNJ-OAHLLOKOSA-N 0 3 310.401 3.619 20 30 DHEDHN CCCN(Cc1cc(C#N)n(C)c1)[C@H](C)c1ccccc1OC ZINC000361510992 1031964238 /nfs/dbraw/zinc/96/42/38/1031964238.db2.gz NPFFJLAVYFTIFV-OAHLLOKOSA-N 0 3 311.429 3.879 20 30 DHEDHN CCCN(Cc1cc(C#N)n(C)c1)[C@H]1CCCc2cccnc21 ZINC000361584307 1032000416 /nfs/dbraw/zinc/00/04/16/1032000416.db2.gz DVKBHBBRFDBDGC-SFHVURJKSA-N 0 3 308.429 3.581 20 30 DHEDHN N#Cc1cc(Cl)cc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000931026549 1032013674 /nfs/dbraw/zinc/01/36/74/1032013674.db2.gz XLKBQNDJZCPARU-AEFFLSMTSA-N 0 3 318.848 3.993 20 30 DHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000931062704 1032022764 /nfs/dbraw/zinc/02/27/64/1032022764.db2.gz SOQRTHHSPYEQNA-WMLDXEAASA-N 0 3 315.461 3.753 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCCC[C@H]2CC2(Cl)Cl)c1 ZINC000877614150 1033383288 /nfs/dbraw/zinc/38/32/88/1033383288.db2.gz GNUNWFNFWOYNSL-NSHDSACASA-N 0 3 318.635 3.670 20 30 DHEDHN C=CCc1cc(C[NH2+][C@H](C)c2ccccc2[O-])cc(OC)c1O ZINC000877756313 1033434140 /nfs/dbraw/zinc/43/41/40/1033434140.db2.gz GODWEGDTIFKUQN-CYBMUJFWSA-N 0 3 313.397 3.686 20 30 DHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C(C)C)N(C)C ZINC000552633767 1033464728 /nfs/dbraw/zinc/46/47/28/1033464728.db2.gz IKTKAKUWMDIQEX-CQSZACIVSA-N 0 3 314.882 3.502 20 30 DHEDHN CC(=O)[C@](C#N)(CCN(CCC(C)C)C1CC1)c1ccccc1 ZINC000877966271 1033534958 /nfs/dbraw/zinc/53/49/58/1033534958.db2.gz FRMCDTDFXHRUAM-HXUWFJFHSA-N 0 3 312.457 3.938 20 30 DHEDHN C#CCCCCCN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000878119317 1033585876 /nfs/dbraw/zinc/58/58/76/1033585876.db2.gz NYZRFUGPZGWTIQ-IBGZPJMESA-N 0 3 313.420 3.774 20 30 DHEDHN CC[C@@]1(C)CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878147636 1033596781 /nfs/dbraw/zinc/59/67/81/1033596781.db2.gz HNBRAABEXOUIGW-PMACEKPBSA-N 0 3 312.457 3.939 20 30 DHEDHN C=CCOC1CCC(N2CCc3ccc(C(C)=O)cc3C2)CC1 ZINC001173326765 1033685332 /nfs/dbraw/zinc/68/53/32/1033685332.db2.gz PXKMGNQDEANZRH-UHFFFAOYSA-N 0 3 313.441 3.761 20 30 DHEDHN C=CCOC1CCC(N(C)Cc2cnc(Cl)s2)CC1 ZINC001173321758 1033686249 /nfs/dbraw/zinc/68/62/49/1033686249.db2.gz OPKMGTIOVKCJNX-UHFFFAOYSA-N 0 3 300.855 3.742 20 30 DHEDHN CCN1CC[C@@H](N(C2=CC(=O)CCC2)[C@H](C)c2ccccc2)C1 ZINC001173375510 1033719748 /nfs/dbraw/zinc/71/97/48/1033719748.db2.gz VUIWWLYYBBZPQO-VQIMIIECSA-N 0 3 312.457 3.781 20 30 DHEDHN COc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1C#N ZINC000174318739 1033921151 /nfs/dbraw/zinc/92/11/51/1033921151.db2.gz DLUBDAVHJUYUCA-QGZVFWFLSA-N 0 3 312.800 3.997 20 30 DHEDHN N#Cc1ccc(CNCCc2nc(C3CCCCC3)cs2)o1 ZINC000174413488 1033929473 /nfs/dbraw/zinc/92/94/73/1033929473.db2.gz VWUYDGHNDIWAJX-UHFFFAOYSA-N 0 3 315.442 3.988 20 30 DHEDHN CN(CCCCCCNC(=O)OC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000879308346 1033979540 /nfs/dbraw/zinc/97/95/40/1033979540.db2.gz AJBMGLFJDWBBSQ-HOTGVXAUSA-N 0 3 323.481 3.696 20 30 DHEDHN N#Cc1cccc(CN2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000554946222 1034427775 /nfs/dbraw/zinc/42/77/75/1034427775.db2.gz QDFAABMQCSBUAG-FQEVSTJZSA-N 0 3 304.393 3.528 20 30 DHEDHN C#CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794812367 1034530429 /nfs/dbraw/zinc/53/04/29/1034530429.db2.gz WFDHDRFXLGOKRV-SFHVURJKSA-N 0 3 309.409 3.954 20 30 DHEDHN Clc1ccc(C#CCN2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC001174924597 1034687840 /nfs/dbraw/zinc/68/78/40/1034687840.db2.gz KHDGAIHJORLGKU-KDURUIRLSA-N 0 3 315.844 3.584 20 30 DHEDHN COc1ccc(OC)c([C@H]2CCCN2CCC(C)(C)C#N)c1 ZINC000157450162 1034897058 /nfs/dbraw/zinc/89/70/58/1034897058.db2.gz KDTSRZCCFIZDSO-MRXNPFEDSA-N 0 3 302.418 3.781 20 30 DHEDHN CCCCC(=O)C(C#N)C(=O)Nc1ccc(CCCC)cc1 ZINC000128618504 1035010543 /nfs/dbraw/zinc/01/05/43/1035010543.db2.gz YFNQBJAOSXNHHE-MRXNPFEDSA-N 0 3 300.402 3.867 20 30 DHEDHN COc1cc(C#N)ccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175505884 1035015793 /nfs/dbraw/zinc/01/57/93/1035015793.db2.gz JNDLBVYCJKUORH-UHFFFAOYSA-N 0 3 319.408 3.769 20 30 DHEDHN N#Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)c(F)c1 ZINC001175505510 1035017732 /nfs/dbraw/zinc/01/77/32/1035017732.db2.gz GBLWNUGDWUTEQG-UHFFFAOYSA-N 0 3 307.372 3.899 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC)cc1 ZINC000128634281 1035078227 /nfs/dbraw/zinc/07/82/27/1035078227.db2.gz SRUYNCXYQJRBTB-CZUORRHYSA-N 0 3 300.402 3.723 20 30 DHEDHN C#Cc1ccc(Nc2ccc(N3CCN(CC)CC3)cc2)cc1F ZINC001175782045 1035119806 /nfs/dbraw/zinc/11/98/06/1035119806.db2.gz LKYMPZPEMSCFGU-UHFFFAOYSA-N 0 3 323.415 3.693 20 30 DHEDHN CCCO[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000160111564 1035138202 /nfs/dbraw/zinc/13/82/02/1035138202.db2.gz OZPRFMSKHAXNTQ-GOSISDBHSA-N 0 3 305.849 3.973 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H](CCCO)c2ccccc2)cc1 ZINC000160751422 1035230471 /nfs/dbraw/zinc/23/04/71/1035230471.db2.gz IMXQTPUKVIAXQD-UWJYYQICSA-N 0 3 323.436 3.863 20 30 DHEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](C(C)(C)C)C1 ZINC000483255658 1035248235 /nfs/dbraw/zinc/24/82/35/1035248235.db2.gz BLRXRBWFXHLUPL-HOCLYGCPSA-N 0 3 313.445 3.643 20 30 DHEDHN COc1ccc(C#N)cc1CN[C@@]1(C)CCCc2ccccc21 ZINC000483764682 1035298432 /nfs/dbraw/zinc/29/84/32/1035298432.db2.gz YRGGYXMWOYAHGZ-FQEVSTJZSA-N 0 3 306.409 3.908 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000483765973 1035298865 /nfs/dbraw/zinc/29/88/65/1035298865.db2.gz SDFIQUKMNHOABB-NVXWUHKLSA-N 0 3 321.509 3.541 20 30 DHEDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000484080348 1035317196 /nfs/dbraw/zinc/31/71/96/1035317196.db2.gz CSSGPIYFDPMYHM-YJYMSZOUSA-N 0 3 310.372 3.521 20 30 DHEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001176771344 1035330342 /nfs/dbraw/zinc/33/03/42/1035330342.db2.gz JZPFJQBIQIQSDL-CYBMUJFWSA-N 0 3 310.800 3.848 20 30 DHEDHN C#C[C@H]1CCCCN1Cc1ccc(OCc2ccncc2)cc1 ZINC001176833226 1035332202 /nfs/dbraw/zinc/33/22/02/1035332202.db2.gz TVVGMOOPTWIUON-IBGZPJMESA-N 0 3 306.409 3.648 20 30 DHEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC001176798546 1035333298 /nfs/dbraw/zinc/33/32/98/1035333298.db2.gz SIRSPDFTCOZAGY-HNNXBMFYSA-N 0 3 304.434 3.700 20 30 DHEDHN Cn1c(NC(=O)C(C#N)Cc2cccs2)cc2ccccc21 ZINC001177905364 1035397610 /nfs/dbraw/zinc/39/76/10/1035397610.db2.gz YQYHXSUPCQUBAQ-CYBMUJFWSA-N 0 3 309.394 3.561 20 30 DHEDHN CC[C@@H](CNCc1csc(C#N)c1)Oc1ccccc1F ZINC001177948016 1035402316 /nfs/dbraw/zinc/40/23/16/1035402316.db2.gz DFIFQOICHWSGJS-ZDUSSCGKSA-N 0 3 304.390 3.706 20 30 DHEDHN CS[C@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000773772914 1035451347 /nfs/dbraw/zinc/45/13/47/1035451347.db2.gz XSILKSBFZQLWPT-GHMZBOCLSA-N 0 3 324.833 3.519 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCS[C@H](C)C1 ZINC001179716163 1035494297 /nfs/dbraw/zinc/49/42/97/1035494297.db2.gz GOSKAAPURKWYPY-CHWSQXEVSA-N 0 3 309.862 3.726 20 30 DHEDHN C#C[C@H](N[C@H](C)c1ccc(OC)c2ccccc21)[C@@H]1CCCO1 ZINC000775574866 1035562589 /nfs/dbraw/zinc/56/25/89/1035562589.db2.gz STXJPJOLWUXYNI-WNYOCNMUSA-N 0 3 309.409 3.680 20 30 DHEDHN C#C[C@H](N[C@H](C)c1cccc(-c2ccncc2)c1)[C@@H]1CCCO1 ZINC000775572889 1035572694 /nfs/dbraw/zinc/57/26/94/1035572694.db2.gz UQYAGVQTMIWPTH-XPGWFJOJSA-N 0 3 306.409 3.580 20 30 DHEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(CCC2CCCC2)CC1 ZINC001193324841 1035604883 /nfs/dbraw/zinc/60/48/83/1035604883.db2.gz TWRNTVFWPDRNSH-IBGZPJMESA-N 0 3 315.436 3.588 20 30 DHEDHN CN(Cc1cc(C#N)ccc1Br)C(C1CC1)C1CC1 ZINC000191779297 1035732537 /nfs/dbraw/zinc/73/25/37/1035732537.db2.gz UKCFCRYBIFMKPP-UHFFFAOYSA-N 0 3 319.246 3.941 20 30 DHEDHN COCc1csc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000594940476 1035817989 /nfs/dbraw/zinc/81/79/89/1035817989.db2.gz JDDOREJOHITENF-UHFFFAOYSA-N 0 3 306.818 3.709 20 30 DHEDHN C=CCNC(=O)CN[C@@H](CC)c1ccc(Oc2ccccc2)cc1 ZINC000539678931 1035824179 /nfs/dbraw/zinc/82/41/79/1035824179.db2.gz DVXUEMYEQLQUTG-IBGZPJMESA-N 0 3 324.424 3.822 20 30 DHEDHN C=CCOc1ccc(CN(C)CC2=CCCOC2)cc1Cl ZINC000668569483 1036060971 /nfs/dbraw/zinc/06/09/71/1036060971.db2.gz ZPARRMBPDBIEEA-UHFFFAOYSA-N 0 3 307.821 3.683 20 30 DHEDHN CCCCN(CC)[C@@H](C(=O)NCCCCC#N)c1ccccc1 ZINC001182237055 1036138310 /nfs/dbraw/zinc/13/83/10/1036138310.db2.gz VNTFEWWPRJYJFZ-GOSISDBHSA-N 0 3 315.461 3.660 20 30 DHEDHN CCCCN(CC)[C@@H](C(=O)N[C@H](CC)CC#N)c1ccccc1 ZINC001182234295 1036139771 /nfs/dbraw/zinc/13/97/71/1036139771.db2.gz CWCJKECZWHUMDT-QZTJIDSGSA-N 0 3 315.461 3.658 20 30 DHEDHN C=CCCN(Cc1ccccc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204345424 1036383831 /nfs/dbraw/zinc/38/38/31/1036383831.db2.gz RVRDPFHASUFJLO-UHFFFAOYSA-N 0 3 313.397 3.685 20 30 DHEDHN N#Cc1cccc(CN2CCC3(CCc4ccccc4C3)CC2)n1 ZINC001182715421 1036434938 /nfs/dbraw/zinc/43/49/38/1036434938.db2.gz RJIBDBDYFFZMDH-UHFFFAOYSA-N 0 3 317.436 3.724 20 30 DHEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc2c(c1)CCCO2 ZINC001196315054 1036494170 /nfs/dbraw/zinc/49/41/70/1036494170.db2.gz YRYLCYBAJDXCCM-HNNXBMFYSA-N 0 3 309.384 3.853 20 30 DHEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000487143224 1036543419 /nfs/dbraw/zinc/54/34/19/1036543419.db2.gz VZYOJTBDXWGAQH-OAHLLOKOSA-N 0 3 318.486 3.567 20 30 DHEDHN Cc1cccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1O ZINC000775735821 1036589970 /nfs/dbraw/zinc/58/99/70/1036589970.db2.gz ZCIXVEUWWFQYOT-OALUTQOASA-N 0 3 306.409 3.972 20 30 DHEDHN Cc1cccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1O ZINC000775735820 1036591585 /nfs/dbraw/zinc/59/15/85/1036591585.db2.gz ZCIXVEUWWFQYOT-MOPGFXCFSA-N 0 3 306.409 3.972 20 30 DHEDHN CCCCCCCC[C@@H]1C[C@@H]1C(=O)N1CCC2(CN(C)C2)CC1 ZINC001273738291 1036699471 /nfs/dbraw/zinc/69/94/71/1036699471.db2.gz OBBABDCIMMHKBG-MSOLQXFVSA-N 0 3 320.521 3.927 20 30 DHEDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271947732 1036735533 /nfs/dbraw/zinc/73/55/33/1036735533.db2.gz NUCBIMCIVJXLGK-GFCCVEGCSA-N 0 3 315.367 3.753 20 30 DHEDHN Cc1cc(CN2CC[C@H](n3ncc4ccccc43)C2)ccc1C#N ZINC000488306463 1036963531 /nfs/dbraw/zinc/96/35/31/1036963531.db2.gz HGXCZJUBIBCOBB-IBGZPJMESA-N 0 3 316.408 3.663 20 30 DHEDHN C[C@H](NCCCOc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000774796884 1036973090 /nfs/dbraw/zinc/97/30/90/1036973090.db2.gz FFSOOHLXWYSRMY-ZDUSSCGKSA-N 0 3 316.351 3.956 20 30 DHEDHN C=CCN(CCCNC(=O)OC(C)(C)C)Cc1cccs1 ZINC000774820546 1037030361 /nfs/dbraw/zinc/03/03/61/1037030361.db2.gz AQNRDSVQUMILAC-UHFFFAOYSA-N 0 3 310.463 3.651 20 30 DHEDHN CCC[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000193630889 1037051646 /nfs/dbraw/zinc/05/16/46/1037051646.db2.gz ICRKTFXFHIYWAB-HNNXBMFYSA-N 0 3 313.426 3.689 20 30 DHEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000911883481 1037232409 /nfs/dbraw/zinc/23/24/09/1037232409.db2.gz QJQDLXZILYFPBO-LBPRGKRZSA-N 0 3 300.374 3.623 20 30 DHEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000912237151 1037319973 /nfs/dbraw/zinc/31/99/73/1037319973.db2.gz VXAATHLZXPTJFV-HIFRSBDPSA-N 0 3 300.402 3.636 20 30 DHEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000774992288 1037350260 /nfs/dbraw/zinc/35/02/60/1037350260.db2.gz OWDSRKHRBSFQLA-KXBFYZLASA-N 0 3 324.424 3.730 20 30 DHEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC000912467744 1037392036 /nfs/dbraw/zinc/39/20/36/1037392036.db2.gz WLJGHXMPSLAJAH-NVXWUHKLSA-N 0 3 321.465 3.724 20 30 DHEDHN C[C@H](C#N)c1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC001187293993 1037616004 /nfs/dbraw/zinc/61/60/04/1037616004.db2.gz WQWNBVIEWFJDQV-CQSZACIVSA-N 0 3 307.397 3.628 20 30 DHEDHN CCCCNN=C(C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000915966280 1037619953 /nfs/dbraw/zinc/61/99/53/1037619953.db2.gz OMYXSOYQOIBUCV-UHFFFAOYSA-N 0 3 317.477 3.795 20 30 DHEDHN Cc1nsc(NC[C@H]2CCN2C2CCCCCC2)c1C#N ZINC001187360765 1037620369 /nfs/dbraw/zinc/62/03/69/1037620369.db2.gz ATOBGDVKLWUNBW-CQSZACIVSA-N 0 3 304.463 3.532 20 30 DHEDHN N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC001201474422 1037736656 /nfs/dbraw/zinc/73/66/56/1037736656.db2.gz FZONPPVPSZCDOE-UXHICEINSA-N 0 3 316.408 3.686 20 30 DHEDHN CCCCCCCCCCCCN1CCN(C2COC2)CC1 ZINC001201631736 1037802258 /nfs/dbraw/zinc/80/22/58/1037802258.db2.gz ZQPRNEMSOQQKHT-UHFFFAOYSA-N 0 3 310.526 3.924 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000185728474 1037835527 /nfs/dbraw/zinc/83/55/27/1037835527.db2.gz OVIGNLJUPBLVOD-ZWKOTPCHSA-N 0 3 314.473 3.712 20 30 DHEDHN CCCCCCCCCN1CCN(CCc2ccncc2)CC1 ZINC001201847530 1037919822 /nfs/dbraw/zinc/91/98/22/1037919822.db2.gz WVBZFQKIYCQIPX-UHFFFAOYSA-N 0 3 317.521 3.992 20 30 DHEDHN CCCCCCCCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC001201875061 1037924470 /nfs/dbraw/zinc/92/44/70/1037924470.db2.gz OLGJPVJYEYOFET-IBGZPJMESA-N 0 3 310.526 3.924 20 30 DHEDHN O=C(Nc1ccc2ccccc2c1)N1CCC2SC(=O)C=C2C1 ZINC001188596258 1037941976 /nfs/dbraw/zinc/94/19/76/1037941976.db2.gz SFZHETLTGLEMMZ-MRXNPFEDSA-N 0 3 324.405 3.646 20 30 DHEDHN C=C(CN[C@@H](C)c1cc(C(=O)OC)cs1)c1ccccc1 ZINC000586789357 1037971124 /nfs/dbraw/zinc/97/11/24/1037971124.db2.gz RZTBHKQAKYRHJF-ZDUSSCGKSA-N 0 3 301.411 3.899 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCCCCCC2)CC1 ZINC000106340861 1037977597 /nfs/dbraw/zinc/97/75/97/1037977597.db2.gz NINYFCAMAHLJOM-UHFFFAOYSA-N 0 3 321.509 3.781 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=Cc2cc(C)c(C)cc2C)nc(C)n1 ZINC000916880485 1038018185 /nfs/dbraw/zinc/01/81/85/1038018185.db2.gz SWSZVKWHHSHZTD-MJRGOJFPSA-N 0 3 319.408 3.908 20 30 DHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000916876121 1038018640 /nfs/dbraw/zinc/01/86/40/1038018640.db2.gz PGVHLDBHAXZJOJ-PMPSAXMXSA-N 0 3 318.461 3.630 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc([C@@H]3C[C@@H]3C)o2)nc(C)n1 ZINC000916880154 1038020725 /nfs/dbraw/zinc/02/07/25/1038020725.db2.gz MIPCPJKNGDJDCA-UPSIEULVSA-N 0 3 321.380 3.700 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCC(C)C ZINC000916903710 1038029755 /nfs/dbraw/zinc/02/97/55/1038029755.db2.gz QVUJVUICDMIFAK-MRXNPFEDSA-N 0 3 314.429 3.895 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000126228671 1038049589 /nfs/dbraw/zinc/04/95/89/1038049589.db2.gz QPDHCNLAEMTGRX-KGLIPLIRSA-N 0 3 306.837 3.580 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000126228455 1038051981 /nfs/dbraw/zinc/05/19/81/1038051981.db2.gz QPDHCNLAEMTGRX-KBPBESRZSA-N 0 3 306.837 3.580 20 30 DHEDHN C=CCc1cc(CN(CC)Cc2ccccn2)c(O)c(OC)c1 ZINC000164472009 1038203070 /nfs/dbraw/zinc/20/30/70/1038203070.db2.gz SHCPIILYAVTCGK-UHFFFAOYSA-N 0 3 312.413 3.546 20 30 DHEDHN C=CCN(CCc1ccccc1)C[C@H]1COC2(CCCCC2)O1 ZINC001190708116 1038365869 /nfs/dbraw/zinc/36/58/69/1038365869.db2.gz QLQRRJOBXWALRL-IBGZPJMESA-N 0 3 315.457 3.793 20 30 DHEDHN C[C@H]1CCC[C@@H](CN2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001190742733 1038377097 /nfs/dbraw/zinc/37/70/97/1038377097.db2.gz LBIMSYQMIVYXOE-DOTOQJQBSA-N 0 3 315.436 3.646 20 30 DHEDHN C[C@H](c1cccc(F)c1)N1CCCN(c2ccccc2C#N)CC1 ZINC000056284502 1038412770 /nfs/dbraw/zinc/41/27/70/1038412770.db2.gz DYZAPRDCJUDIMM-MRXNPFEDSA-N 0 3 323.415 3.971 20 30 DHEDHN C=CC[C@H](C)N1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC001190994653 1038424156 /nfs/dbraw/zinc/42/41/56/1038424156.db2.gz JQIBWSLDPVCKSI-KSSFIOAISA-N 0 3 308.416 3.998 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(Cl)c1)CC2 ZINC000589344172 1038461389 /nfs/dbraw/zinc/46/13/89/1038461389.db2.gz DTOSXBHHYGHLSO-SFHVURJKSA-N 0 3 307.784 3.860 20 30 DHEDHN C[C@H](C#N)OCCN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC001192627694 1038687158 /nfs/dbraw/zinc/68/71/58/1038687158.db2.gz ZVXOGKDVXAATGA-ZJUUUORDSA-N 0 3 318.751 3.521 20 30 DHEDHN C[C@H](NCCCOc1ccc(C#N)cc1)c1cccc(F)c1F ZINC000775550942 1038708128 /nfs/dbraw/zinc/70/81/28/1038708128.db2.gz QTUUHNBWYBUPII-ZDUSSCGKSA-N 0 3 316.351 3.956 20 30 DHEDHN Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000591614006 1038943244 /nfs/dbraw/zinc/94/32/44/1038943244.db2.gz SPUKHRJJTGCOSD-KRWDZBQOSA-N 0 3 323.396 3.747 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000593674383 1039035396 /nfs/dbraw/zinc/03/53/96/1039035396.db2.gz RACPCCHDACKOAG-CQSZACIVSA-N 0 3 312.335 3.578 20 30 DHEDHN CCCN(Cc1ccncc1C#N)[C@H]1CCc2ccccc2C1 ZINC000592061828 1039107934 /nfs/dbraw/zinc/10/79/34/1039107934.db2.gz SLCSIXICXBPOHZ-FQEVSTJZSA-N 0 3 305.425 3.723 20 30 DHEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000599312764 1039116457 /nfs/dbraw/zinc/11/64/57/1039116457.db2.gz WOKSTIJZLQPNBE-ZYHUDNBSSA-N 0 3 313.228 3.699 20 30 DHEDHN COc1cc(CN(Cc2ccc(C)c(C#N)c2)C2CC2)ccc1O ZINC000599345638 1039125668 /nfs/dbraw/zinc/12/56/68/1039125668.db2.gz DSYOJHJSDIXLGF-UHFFFAOYSA-N 0 3 322.408 3.746 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C)c(C#N)c2)c1 ZINC000599348859 1039128081 /nfs/dbraw/zinc/12/80/81/1039128081.db2.gz NJKAUXOWDLOLPK-CQSZACIVSA-N 0 3 307.397 3.676 20 30 DHEDHN N#Cc1cccc(-c2nnc(CN3CCCC[C@H]3C3CCC3)o2)c1 ZINC000592197174 1039181651 /nfs/dbraw/zinc/18/16/51/1039181651.db2.gz BVTDGCVAZKCFEP-KRWDZBQOSA-N 0 3 322.412 3.763 20 30 DHEDHN COc1cccc(CN2CCC(Nc3ccccc3C#N)CC2)c1 ZINC000603870530 1039203523 /nfs/dbraw/zinc/20/35/23/1039203523.db2.gz UWXMFYJJKMIGNX-UHFFFAOYSA-N 0 3 321.424 3.643 20 30 DHEDHN CCCCc1oc2ccccc2c1CN1CC[C@@](O)(CC#N)C1 ZINC000592524216 1039224169 /nfs/dbraw/zinc/22/41/69/1039224169.db2.gz WJFYOPNUBNGVBV-IBGZPJMESA-N 0 3 312.413 3.626 20 30 DHEDHN COc1ccccc1C[C@H]1CCCN1Cc1ccccc1C#N ZINC000058525626 1039234882 /nfs/dbraw/zinc/23/48/82/1039234882.db2.gz PZVPRAJLZRIMEP-LJQANCHMSA-N 0 3 306.409 3.774 20 30 DHEDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC1(C#N)CCCC1 ZINC000593653069 1039580470 /nfs/dbraw/zinc/58/04/70/1039580470.db2.gz ATEUKKZTZSYJCI-AWEZNQCLSA-N 0 3 301.390 3.589 20 30 DHEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CCCC2)c(C)c1OC ZINC000593654727 1039580963 /nfs/dbraw/zinc/58/09/63/1039580963.db2.gz LNHIABLCDOMRPW-CQSZACIVSA-N 0 3 316.445 3.617 20 30 DHEDHN C=CC1CCN([C@@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000604998626 1039597492 /nfs/dbraw/zinc/59/74/92/1039597492.db2.gz KVBOOMSTNPRCAX-GOSISDBHSA-N 0 3 316.420 3.528 20 30 DHEDHN N#CC(C(=O)CCCOc1ccccc1)c1nc2ccccc2[nH]1 ZINC000046441105 1039638833 /nfs/dbraw/zinc/63/88/33/1039638833.db2.gz GZJYUZULKRCSLO-OAHLLOKOSA-N 0 3 319.364 3.598 20 30 DHEDHN C=CCCCN(C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000605738760 1039746108 /nfs/dbraw/zinc/74/61/08/1039746108.db2.gz MWPLSRKEJNIFBR-UHFFFAOYSA-N 0 3 314.473 3.513 20 30 DHEDHN CN(C(=O)[C@H](N)CCCCC#N)c1ccc(-c2ccccc2)cc1 ZINC000594433620 1039783922 /nfs/dbraw/zinc/78/39/22/1039783922.db2.gz PUIJIKBKHCGVPI-LJQANCHMSA-N 0 3 321.424 3.728 20 30 DHEDHN CCC1(CC)CN(C(=O)[C@H](N)CCCCC#N)c2ccccc21 ZINC000594436401 1039783961 /nfs/dbraw/zinc/78/39/61/1039783961.db2.gz HZGVCWNTAFEZOA-MRXNPFEDSA-N 0 3 313.445 3.502 20 30 DHEDHN CC(C)[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1Cl ZINC000594442976 1039784909 /nfs/dbraw/zinc/78/49/09/1039784909.db2.gz DUWHDGIJIBLTNL-HOTGVXAUSA-N 0 3 321.852 3.565 20 30 DHEDHN CCCCN(C(=O)[C@H](N)CCCCC#N)[C@H](C)c1ccccc1 ZINC000594447040 1039786020 /nfs/dbraw/zinc/78/60/20/1039786020.db2.gz SBKQRHTYKGUUBW-SJLPKXTDSA-N 0 3 315.461 3.788 20 30 DHEDHN CN(Cc1ccc(C#N)cn1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000593952246 1039795337 /nfs/dbraw/zinc/79/53/37/1039795337.db2.gz UIEBJOMFAHNNQM-QUCCMNQESA-N 0 3 321.424 3.553 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(C#N)c1 ZINC000594495472 1039798616 /nfs/dbraw/zinc/79/86/16/1039798616.db2.gz ACCDVAUWGKTSSV-SJKOYZFVSA-N 0 3 307.353 3.805 20 30 DHEDHN N#CCC[C@H](C#N)CNCCCc1c(Cl)cccc1Cl ZINC000594553803 1039809491 /nfs/dbraw/zinc/80/94/91/1039809491.db2.gz ZKQXLBYVOWELPP-GFCCVEGCSA-N 0 3 310.228 3.959 20 30 DHEDHN COc1cc(CNCc2ccc(C(C)(C)C#N)cc2)ccc1C#N ZINC000594515035 1039817634 /nfs/dbraw/zinc/81/76/34/1039817634.db2.gz DDFBFGHLCPTEEJ-UHFFFAOYSA-N 0 3 319.408 3.658 20 30 DHEDHN COC[C@@H](C)Oc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000594914444 1039923015 /nfs/dbraw/zinc/92/30/15/1039923015.db2.gz IMYVBFUBYABPCG-CVEARBPZSA-N 0 3 324.424 3.823 20 30 DHEDHN C[C@@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(C#N)cc1 ZINC000594915023 1039924686 /nfs/dbraw/zinc/92/46/86/1039924686.db2.gz OOKYRJGSDOPQFK-FOIQADDNSA-N 0 3 322.408 3.577 20 30 DHEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cccc(C#N)c1 ZINC000594930156 1039932188 /nfs/dbraw/zinc/93/21/88/1039932188.db2.gz SXUPYKHRNFJJIJ-HNNXBMFYSA-N 0 3 301.393 3.964 20 30 DHEDHN N#CCCC[C@@H](NCc1ccnn1CC1CC1)c1ccccc1 ZINC000594943458 1039956712 /nfs/dbraw/zinc/95/67/12/1039956712.db2.gz IXLXFSRFAXDPRM-LJQANCHMSA-N 0 3 308.429 3.818 20 30 DHEDHN N#Cc1cccc(C2(NCc3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000594948674 1039959822 /nfs/dbraw/zinc/95/98/22/1039959822.db2.gz BEQRREWWBSVIFG-UHFFFAOYSA-N 0 3 313.404 3.892 20 30 DHEDHN Cc1cccn2c(CNC(C)(C)c3cccc(C#N)c3)cnc12 ZINC000594966823 1039970556 /nfs/dbraw/zinc/97/05/56/1039970556.db2.gz AWHQRBQVBZIEHO-UHFFFAOYSA-N 0 3 304.397 3.539 20 30 DHEDHN COc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1C#N ZINC000172688191 1039998699 /nfs/dbraw/zinc/99/86/99/1039998699.db2.gz JEASQIVSRKSTMT-UHFFFAOYSA-N 0 3 320.314 3.875 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2ccc(O)cc21 ZINC000595093224 1040078840 /nfs/dbraw/zinc/07/88/40/1040078840.db2.gz YXORMTSPIMNKDF-PMACEKPBSA-N 0 3 304.393 3.918 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2ccc(O)cc21 ZINC000595093236 1040079774 /nfs/dbraw/zinc/07/97/74/1040079774.db2.gz YXORMTSPIMNKDF-WOJBJXKFSA-N 0 3 304.393 3.918 20 30 DHEDHN N#Cc1ccc(CCN2CC(c3nc4ccccc4s3)C2)cc1 ZINC000595403273 1040139517 /nfs/dbraw/zinc/13/95/17/1040139517.db2.gz JUPPAPIDWFHTJO-UHFFFAOYSA-N 0 3 319.433 3.810 20 30 DHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(C(=O)OCC)cs1 ZINC000595602170 1040201034 /nfs/dbraw/zinc/20/10/34/1040201034.db2.gz HFDFKQDKPYSQAD-QWHCGFSZSA-N 0 3 308.447 3.544 20 30 DHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(C(=O)OCC)cs1 ZINC000595602171 1040202562 /nfs/dbraw/zinc/20/25/62/1040202562.db2.gz HFDFKQDKPYSQAD-STQMWFEESA-N 0 3 308.447 3.544 20 30 DHEDHN C=CCC1(NCc2csc(CC(=O)OC(C)C)n2)CCCC1 ZINC000595780459 1040255906 /nfs/dbraw/zinc/25/59/06/1040255906.db2.gz SHIFEWHEBCQOJL-UHFFFAOYSA-N 0 3 322.474 3.616 20 30 DHEDHN COc1cc(CN[C@]2(c3ccccc3)CC2(C)C)ccc1C#N ZINC000596057195 1040292781 /nfs/dbraw/zinc/29/27/81/1040292781.db2.gz KDXFLGIXMDEUPV-FQEVSTJZSA-N 0 3 306.409 3.982 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cccc(N(C)C)c1 ZINC000608493055 1040522569 /nfs/dbraw/zinc/52/25/69/1040522569.db2.gz IITHLIBPAYQHJC-UHFFFAOYSA-N 0 3 310.441 3.949 20 30 DHEDHN CCn1cc(CN(Cc2ccc(C3(C#N)CC3)cc2)C(C)C)cn1 ZINC000597159374 1040669433 /nfs/dbraw/zinc/66/94/33/1040669433.db2.gz ZEINUTKJRXEUKN-UHFFFAOYSA-N 0 3 322.456 3.869 20 30 DHEDHN C=CCN(CCOc1ccccc1C#N)Cc1ccc(OC)cc1 ZINC000060479428 1040671731 /nfs/dbraw/zinc/67/17/31/1040671731.db2.gz YDVKQSJVTLPUJX-UHFFFAOYSA-N 0 3 322.408 3.634 20 30 DHEDHN Cc1ccc(CN2CCC[C@@H](CC#N)C2)c(-c2ccnn2C)c1 ZINC000597175440 1040675793 /nfs/dbraw/zinc/67/57/93/1040675793.db2.gz AZAYJHSUMFPWGI-INIZCTEOSA-N 0 3 308.429 3.521 20 30 DHEDHN CCOc1cc(CNC(C)(C)c2cccc(C#N)c2)ccc1O ZINC000597185560 1040683998 /nfs/dbraw/zinc/68/39/98/1040683998.db2.gz XPWVHSHNQIWZPH-UHFFFAOYSA-N 0 3 310.397 3.687 20 30 DHEDHN CC1(C)Cc2n[nH]cc2CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597258735 1040705195 /nfs/dbraw/zinc/70/51/95/1040705195.db2.gz RHBZHXMKNMSFRO-UHFFFAOYSA-N 0 3 320.440 3.549 20 30 DHEDHN Cc1cc(CN(C)C)cc(NC(=O)CC2(C#N)CCCCC2)c1 ZINC000597444809 1040774562 /nfs/dbraw/zinc/77/45/62/1040774562.db2.gz CVNZECIRBYEEMS-UHFFFAOYSA-N 0 3 313.445 3.859 20 30 DHEDHN Cc1cc(C)nc(N=NC2CN(Cc3ccccc3)C(C)(C)C2)n1 ZINC000761253268 1041044145 /nfs/dbraw/zinc/04/41/45/1041044145.db2.gz YDXDDPSYUOIDOI-UHFFFAOYSA-N 0 3 323.444 3.546 20 30 DHEDHN C[C@H](CCC#N)CNc1cccc(CN2CCSCC2)c1 ZINC000602492828 1041060579 /nfs/dbraw/zinc/06/05/79/1041060579.db2.gz YIXHMQLIDSYKRV-OAHLLOKOSA-N 0 3 303.475 3.587 20 30 DHEDHN CC(C)(C)OC(=O)CC[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000602848108 1041258456 /nfs/dbraw/zinc/25/84/56/1041258456.db2.gz YSHXSIVNGFDVRQ-OAHLLOKOSA-N 0 3 306.450 3.657 20 30 DHEDHN CN(CCCCC#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602891931 1041297804 /nfs/dbraw/zinc/29/78/04/1041297804.db2.gz DSEOGHXZLPVIOK-UHFFFAOYSA-N 0 3 310.323 3.707 20 30 DHEDHN C[C@H](c1cccnc1)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602893733 1041298334 /nfs/dbraw/zinc/29/83/34/1041298334.db2.gz FOSLKVPWUIOHBZ-OAHLLOKOSA-N 0 3 306.413 3.591 20 30 DHEDHN N#CCC1(CN[C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000602918075 1041319236 /nfs/dbraw/zinc/31/92/36/1041319236.db2.gz QLSLZKYDJZQRNM-CQSZACIVSA-N 0 3 313.228 3.700 20 30 DHEDHN CC(C)(C)c1ccc2c(c1)CN(C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598600916 1041345764 /nfs/dbraw/zinc/34/57/64/1041345764.db2.gz CBCZGMFNGSBGNS-SFHVURJKSA-N 0 3 314.473 3.643 20 30 DHEDHN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@H](O)CC(C)(C)C#N)C2CC2)o1 ZINC000598585164 1041348169 /nfs/dbraw/zinc/34/81/69/1041348169.db2.gz VKMJASXXIDRIPU-UNEWFSDZSA-N 0 3 316.445 3.668 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000281098554 334972818 /nfs/dbraw/zinc/97/28/18/334972818.db2.gz PUROAAMAMQIYTQ-CYBMUJFWSA-N 0 3 300.402 3.579 20 30 DHEDHN C=C(C)COc1cc(CN2CCC(COC)CC2)ccc1OC ZINC000093103847 334994240 /nfs/dbraw/zinc/99/42/40/334994240.db2.gz LSFXBIUONDEOGK-UHFFFAOYSA-N 0 3 319.445 3.509 20 30 DHEDHN O[C@@H](C[C@H]1CCCN1CC#Cc1ccccc1)c1cccs1 ZINC000192062360 335023112 /nfs/dbraw/zinc/02/31/12/335023112.db2.gz RBXCPJSMMTWPGD-MSOLQXFVSA-N 0 3 311.450 3.688 20 30 DHEDHN C=CCC[C@H](N[C@@H]1C[C@@H](OCC)[C@@]12CCCO2)c1ccco1 ZINC000286234852 335030718 /nfs/dbraw/zinc/03/07/18/335030718.db2.gz SYUKNIKQQXHXNA-DZOHQFGASA-N 0 3 305.418 3.603 20 30 DHEDHN C=CCC[C@H](N[C@@H]1C[C@H](OCC)[C@@]12CCCO2)c1ccco1 ZINC000286234871 335030834 /nfs/dbraw/zinc/03/08/34/335030834.db2.gz SYUKNIKQQXHXNA-XOYOTBSWSA-N 0 3 305.418 3.603 20 30 DHEDHN C=CCC[C@@H](NCCC(=O)N1CCCCCC1)c1ccco1 ZINC000286003619 335031784 /nfs/dbraw/zinc/03/17/84/335031784.db2.gz IUMRMISWDGYBJX-MRXNPFEDSA-N 0 3 304.434 3.669 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCc2cccnc2Oc2cccc(F)c2)C1 ZINC000442718380 335050040 /nfs/dbraw/zinc/05/00/40/335050040.db2.gz OQZHLXBURLPDGN-CJNGLKHVSA-N 0 3 311.360 3.795 20 30 DHEDHN C#Cc1ccc(CN[C@@H](CC)c2ccc(OC)c(OC)c2)cc1 ZINC000289346073 335058340 /nfs/dbraw/zinc/05/83/40/335058340.db2.gz IMYIKZZEVNTRMX-SFHVURJKSA-N 0 3 309.409 3.926 20 30 DHEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccncc1F ZINC000340201211 131147699 /nfs/dbraw/zinc/14/76/99/131147699.db2.gz XAPUHEGCWKVCCN-ZDUSSCGKSA-N 0 3 315.417 3.676 20 30 DHEDHN CCN(CC)[C@H](CNc1cc(C#N)ccn1)c1ccsc1 ZINC000286270967 131227514 /nfs/dbraw/zinc/22/75/14/131227514.db2.gz WMMYSUQDAWAOLY-OAHLLOKOSA-N 0 3 300.431 3.510 20 30 DHEDHN C[C@H](N[C@H](CCO)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000286893910 131254282 /nfs/dbraw/zinc/25/42/82/131254282.db2.gz DEEOLPWUWNJALW-SCLBCKFNSA-N 0 3 314.816 3.986 20 30 DHEDHN COCCOCc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000289511386 131392282 /nfs/dbraw/zinc/39/22/82/131392282.db2.gz APYRCXYAFXBQJU-MRXNPFEDSA-N 0 3 324.424 3.572 20 30 DHEDHN CC(C)OCCN1CCC(Nc2cccc(Cl)c2C#N)CC1 ZINC000297361237 132012018 /nfs/dbraw/zinc/01/20/18/132012018.db2.gz CDTHTWWSZDPPCK-UHFFFAOYSA-N 0 3 321.852 3.513 20 30 DHEDHN CC[C@H](COCC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1 ZINC000297433164 132015078 /nfs/dbraw/zinc/01/50/78/132015078.db2.gz VLZNYMSMIIMXBG-BXUZGUMPSA-N 0 3 300.324 3.566 20 30 DHEDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000299439478 132105770 /nfs/dbraw/zinc/10/57/70/132105770.db2.gz WMHYDZMDXLPILV-YOEHRIQHSA-N 0 3 307.397 3.626 20 30 DHEDHN C=C[C@@H](CO)N[C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000289802879 335065645 /nfs/dbraw/zinc/06/56/45/335065645.db2.gz OBOZYZBCEVPSAC-GJZGRUSLSA-N 0 3 314.454 3.632 20 30 DHEDHN CCCN(CC1(C#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000343319004 335075991 /nfs/dbraw/zinc/07/59/91/335075991.db2.gz HUNQXTYENGEMGP-LJQANCHMSA-N 0 3 311.473 3.667 20 30 DHEDHN Cc1nc(NC[C@@H](c2cccs2)N2CCCC2)ccc1C#N ZINC000487901697 429171614 /nfs/dbraw/zinc/17/16/14/429171614.db2.gz YICZRTXZCBEKBY-HNNXBMFYSA-N 0 3 312.442 3.572 20 30 DHEDHN C=C(C)CN1CCC(Nc2cnc(-c3ccccc3)cn2)CC1 ZINC000488068255 435634043 /nfs/dbraw/zinc/63/40/43/435634043.db2.gz RZWNLBJTAZRCIG-UHFFFAOYSA-N 0 3 308.429 3.596 20 30 DHEDHN CC(C)(COCc1ccccc1)NCc1ccc(OCC#N)cc1 ZINC000281371985 332781856 /nfs/dbraw/zinc/78/18/56/332781856.db2.gz LUQCMWZLWBHDMU-UHFFFAOYSA-N 0 3 324.424 3.674 20 30 DHEDHN C=CC[C@H](CO)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000186702641 331469365 /nfs/dbraw/zinc/46/93/65/331469365.db2.gz WPZOYKYMKGKWPQ-IAQYHMDHSA-N 0 3 320.433 3.845 20 30 DHEDHN N#CCc1ccc(CNCc2c(C3CC3)nc3sccn23)cc1 ZINC000517741360 331485349 /nfs/dbraw/zinc/48/53/49/331485349.db2.gz KUUBPMIXPONEBX-UHFFFAOYSA-N 0 3 322.437 3.629 20 30 DHEDHN COc1ccc(CNCc2ccc(C)cc2)cc1OCCCC#N ZINC000064613523 331832674 /nfs/dbraw/zinc/83/26/74/331832674.db2.gz BUWFATBGBZNWAD-UHFFFAOYSA-N 0 3 324.424 3.976 20 30 DHEDHN N#CCCC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000573325018 331962683 /nfs/dbraw/zinc/96/26/83/331962683.db2.gz AEMKDAAZWPHGHR-UHFFFAOYSA-N 0 3 300.431 3.654 20 30 DHEDHN C=CCN(CC=C)C(=O)CN1CCCCC[C@@H]1c1ccccc1 ZINC000520042977 332030223 /nfs/dbraw/zinc/03/02/23/332030223.db2.gz RSECHZYPPZKPTC-LJQANCHMSA-N 0 3 312.457 3.804 20 30 DHEDHN COc1ccc2c(c1OC)CCN(CCCCC(C)(C)C#N)C2 ZINC000409447949 332033368 /nfs/dbraw/zinc/03/33/68/332033368.db2.gz LVBWWWYSSINWIT-UHFFFAOYSA-N 0 3 316.445 3.782 20 30 DHEDHN COC[C@@H](Cc1ccccc1)N[C@@H](CCC#N)c1ccccc1 ZINC000090665499 332092454 /nfs/dbraw/zinc/09/24/54/332092454.db2.gz QWMZVERBIBLTFU-UXHICEINSA-N 0 3 308.425 3.879 20 30 DHEDHN COc1ccccc1C[C@H]1CCCN1Cc1cc(C#N)cs1 ZINC000092660917 332138438 /nfs/dbraw/zinc/13/84/38/332138438.db2.gz QPKUZAJNGIPPEM-MRXNPFEDSA-N 0 3 312.438 3.835 20 30 DHEDHN C=CCC(C)(C)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000410508306 332149312 /nfs/dbraw/zinc/14/93/12/332149312.db2.gz KHTIDOYMAOTOCS-KRWDZBQOSA-N 0 3 314.473 3.712 20 30 DHEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CN1C1CC1 ZINC000317753311 332170917 /nfs/dbraw/zinc/17/09/17/332170917.db2.gz ORCADJZRBFAAMB-ZWNOBZJWSA-N 0 3 309.335 3.614 20 30 DHEDHN C=C(C)COc1cc(CNC[C@@H](OC)C(C)(C)C)ccc1OC ZINC000237210422 332322194 /nfs/dbraw/zinc/32/21/94/332322194.db2.gz TXSHNUSGJBKTOQ-GOSISDBHSA-N 0 3 321.461 3.801 20 30 DHEDHN C=CCN(Cc1ccccc1)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000237579685 332375181 /nfs/dbraw/zinc/37/51/81/332375181.db2.gz UDXQSBTUSXFUHT-VQIMIIECSA-N 0 3 308.425 3.537 20 30 DHEDHN N#Cc1cccc(OCCN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000560673567 332375853 /nfs/dbraw/zinc/37/58/53/332375853.db2.gz BZIKVPUSQNJSLA-KRWDZBQOSA-N 0 3 310.372 3.566 20 30 DHEDHN CC(C)(C#N)CCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000119907791 332379892 /nfs/dbraw/zinc/37/98/92/332379892.db2.gz SEBGOPKMFJWWBY-OAHLLOKOSA-N 0 3 300.402 3.535 20 30 DHEDHN C=CCCC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000560972985 332397530 /nfs/dbraw/zinc/39/75/30/332397530.db2.gz KUIXAEBXVOQKKF-MRXNPFEDSA-N 0 3 308.853 3.805 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000150746543 332417841 /nfs/dbraw/zinc/41/78/41/332417841.db2.gz JKJHMRCUUFOZLI-FUHWJXTLSA-N 0 3 321.509 3.637 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC(n2ccnc2)CC1 ZINC000135214242 332616642 /nfs/dbraw/zinc/61/66/42/332616642.db2.gz RAWOATCCSSXWRV-UHFFFAOYSA-N 0 3 308.429 3.521 20 30 DHEDHN C=CCC1(C(=O)N2CCCN(C(C)(C)C)CC2)CCCCC1 ZINC000580280759 333054746 /nfs/dbraw/zinc/05/47/46/333054746.db2.gz OMQHSYNTCVZNBO-UHFFFAOYSA-N 0 3 306.494 3.846 20 30 DHEDHN Cc1noc([C@H]2CCCN(Cc3ccccc3C(C)(C)C#N)C2)n1 ZINC000178518045 333140238 /nfs/dbraw/zinc/14/02/38/333140238.db2.gz YUIMGKLONLGTOU-INIZCTEOSA-N 0 3 324.428 3.559 20 30 DHEDHN CCN(CCCCCn1c(C)nc2ccccc21)C[C@H](C)C#N ZINC000463078466 333157089 /nfs/dbraw/zinc/15/70/89/333157089.db2.gz SFPOJVAXTGTQOX-MRXNPFEDSA-N 0 3 312.461 3.997 20 30 DHEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(OCC#N)cc1)[C@@H](C)C2 ZINC000180848621 333165692 /nfs/dbraw/zinc/16/56/92/333165692.db2.gz YKLXNASTGSDUIQ-MGPUTAFESA-N 0 3 306.409 3.921 20 30 DHEDHN C[C@H](NCCO[C@H]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000182009265 333174348 /nfs/dbraw/zinc/17/43/48/333174348.db2.gz ZJQYLAKAPRFWSV-GJYPPUQNSA-N 0 3 316.445 3.835 20 30 DHEDHN C=CCOc1cccc(CN2CC[C@@H](O)c3ccccc3C2)c1 ZINC000363870254 333187202 /nfs/dbraw/zinc/18/72/02/333187202.db2.gz UPWSXRODNPNCQW-HXUWFJFHSA-N 0 3 309.409 3.691 20 30 DHEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@@H](CCC#N)c1ccccc1 ZINC000183915700 333189480 /nfs/dbraw/zinc/18/94/80/333189480.db2.gz XPSDVVMKBNOSTA-ZBFHGGJFSA-N 0 3 302.418 3.741 20 30 DHEDHN Cn1cc([C@@H](NCCCC(C)(C)C#N)c2ccc(F)cc2)cn1 ZINC000184602984 333198627 /nfs/dbraw/zinc/19/86/27/333198627.db2.gz CPCCZERKNPMDCL-KRWDZBQOSA-N 0 3 314.408 3.568 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000185769638 333213854 /nfs/dbraw/zinc/21/38/54/333213854.db2.gz QPVQXRHDDODQPM-WMLDXEAASA-N 0 3 311.429 3.597 20 30 DHEDHN CC(C)(C)c1ccc([C@@H](O)CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185831084 333214695 /nfs/dbraw/zinc/21/46/95/333214695.db2.gz DZTYBBWETNPCFB-WBAXXEDZSA-N 0 3 300.446 3.689 20 30 DHEDHN COCCCOc1cc(C)ccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185862111 333215216 /nfs/dbraw/zinc/21/52/16/333215216.db2.gz TXHSBFGANSWLKH-FUHWJXTLSA-N 0 3 316.445 3.582 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000185344961 335129172 /nfs/dbraw/zinc/12/91/72/335129172.db2.gz NETAYMVEMLOSNZ-CVEARBPZSA-N 0 3 320.502 3.679 20 30 DHEDHN C=CCC1(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)CCC1 ZINC000364213430 333273577 /nfs/dbraw/zinc/27/35/77/333273577.db2.gz LKBQPBPOGADGLB-GDBMZVCRSA-N 0 3 318.486 3.604 20 30 DHEDHN COc1cc(CN2CCC(CCC#N)CC2)ccc1SC ZINC000563068926 333281186 /nfs/dbraw/zinc/28/11/86/333281186.db2.gz RRVCIMDCANSLSJ-UHFFFAOYSA-N 0 3 304.459 3.933 20 30 DHEDHN C=CC[C@@H](C)NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000116927626 333282675 /nfs/dbraw/zinc/28/26/75/333282675.db2.gz RFEQXEABKOMHDT-LLVKDONJSA-N 0 3 320.234 3.893 20 30 DHEDHN C=CCN1CC[C@@H](N[C@H](c2ccc(Cl)cc2)C2CCC2)C1=O ZINC000499604396 333286787 /nfs/dbraw/zinc/28/67/87/333286787.db2.gz VTXBTJWVNIPING-SJORKVTESA-N 0 3 318.848 3.558 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000192879256 333294566 /nfs/dbraw/zinc/29/45/66/333294566.db2.gz RPHWOHQHUAIWIV-COLVAYQJSA-N 0 3 313.228 3.699 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000364427263 333313668 /nfs/dbraw/zinc/31/36/68/333313668.db2.gz HCWRLRPWISPBAO-WBVHZDCISA-N 0 3 318.486 3.626 20 30 DHEDHN CC[C@@H](C)CN(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000111253861 333328370 /nfs/dbraw/zinc/32/83/70/333328370.db2.gz DLQOMDMVKMMNGV-OAHLLOKOSA-N 0 3 315.461 3.528 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000188471554 333367616 /nfs/dbraw/zinc/36/76/16/333367616.db2.gz MJCPWTXLHDZCGS-PXNSSMCTSA-N 0 3 314.473 3.712 20 30 DHEDHN C[C@H](NCCOCCC#N)c1ccccc1OCc1ccccc1 ZINC000339070972 333508081 /nfs/dbraw/zinc/50/80/81/333508081.db2.gz PVQAEVBLYJUWEU-KRWDZBQOSA-N 0 3 324.424 3.846 20 30 DHEDHN C=CCOCCN[C@H](CC)c1cc(F)cc(Br)c1 ZINC000339089584 333508367 /nfs/dbraw/zinc/50/83/67/333508367.db2.gz CFMFVALYAMFMMV-CQSZACIVSA-N 0 3 316.214 3.832 20 30 DHEDHN C[C@@H](NCCc1ccc(F)cc1F)c1ccc(C#N)cc1F ZINC000571076862 333657695 /nfs/dbraw/zinc/65/76/95/333657695.db2.gz ZBPQOCCSDWZWRH-LLVKDONJSA-N 0 3 304.315 3.869 20 30 DHEDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000411631061 333699329 /nfs/dbraw/zinc/69/93/29/333699329.db2.gz LJLAVTXFVMYFFT-MGPUTAFESA-N 0 3 306.409 3.882 20 30 DHEDHN COc1cc(OC)cc(C2(F)CCN([C@H](C)CCC#N)CC2)c1 ZINC000411688899 333702065 /nfs/dbraw/zinc/70/20/65/333702065.db2.gz DIWYVROJUFIIMR-CQSZACIVSA-N 0 3 320.408 3.657 20 30 DHEDHN C=CCCCN(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412114009 333728271 /nfs/dbraw/zinc/72/82/71/333728271.db2.gz AAUOSONLKWQBCH-UHFFFAOYSA-N 0 3 300.446 3.711 20 30 DHEDHN COc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)c(C)c1 ZINC000414099291 333896119 /nfs/dbraw/zinc/89/61/19/333896119.db2.gz UFWHYSPKOCSPSJ-OAHLLOKOSA-N 0 3 310.397 3.605 20 30 DHEDHN COc1ccc([C@@H](Cc2ccncc2)NCC(C)(C)CC#N)cc1 ZINC000414169467 333907295 /nfs/dbraw/zinc/90/72/95/333907295.db2.gz RUTOLWUBOALSGK-LJQANCHMSA-N 0 3 323.440 3.903 20 30 DHEDHN COc1ccc(CN2CC(C)(C)C[C@H]2C)cc1OCCCC#N ZINC000414524143 334006809 /nfs/dbraw/zinc/00/68/09/334006809.db2.gz JKXNXVDFMMGAAJ-OAHLLOKOSA-N 0 3 316.445 3.998 20 30 DHEDHN C=C(C)COc1cc(CNC(C)(C)COC(C)C)ccc1OC ZINC000414533703 334009763 /nfs/dbraw/zinc/00/97/63/334009763.db2.gz CATDZOMJMRHBCB-UHFFFAOYSA-N 0 3 321.461 3.943 20 30 DHEDHN Cc1ccnc(NCC(C)(C)N2CCc3ccccc3C2)c1C#N ZINC000343522131 335174472 /nfs/dbraw/zinc/17/44/72/335174472.db2.gz WMFVOQKCGXVKGD-UHFFFAOYSA-N 0 3 320.440 3.511 20 30 DHEDHN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(OCC#N)cc1 ZINC000276254891 334075404 /nfs/dbraw/zinc/07/54/04/334075404.db2.gz NYKHOTKDGFSOGM-AWEZNQCLSA-N 0 3 312.335 3.752 20 30 DHEDHN CCC1CCC(N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279716597 334111429 /nfs/dbraw/zinc/11/14/29/334111429.db2.gz LVEYCBSPLRVUEI-ZCDLSOSASA-N 0 3 323.440 3.668 20 30 DHEDHN CCCCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280239423 334115527 /nfs/dbraw/zinc/11/55/27/334115527.db2.gz WPHSTUULXPXHHP-SFHVURJKSA-N 0 3 311.429 3.717 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000282198658 334132328 /nfs/dbraw/zinc/13/23/28/334132328.db2.gz GRMYRCNVYAYWAF-PDUOOLKUSA-N 0 3 308.784 3.591 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000282198653 334132346 /nfs/dbraw/zinc/13/23/46/334132346.db2.gz GRMYRCNVYAYWAF-DUUOMRMWSA-N 0 3 308.784 3.591 20 30 DHEDHN CC(C)(CCC#N)CNCc1c(F)cccc1N1CCCC1 ZINC000285677403 334149217 /nfs/dbraw/zinc/14/92/17/334149217.db2.gz UOLVWHZKXBWGNB-UHFFFAOYSA-N 0 3 303.425 3.845 20 30 DHEDHN CN(Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293522611 334198740 /nfs/dbraw/zinc/19/87/40/334198740.db2.gz IRKXFERAHAERQP-ZIAGYGMSSA-N 0 3 312.335 3.752 20 30 DHEDHN N#CCCOCCN[C@H](Cc1ccccc1)c1ccccc1F ZINC000293777996 334202131 /nfs/dbraw/zinc/20/21/31/334202131.db2.gz LNFVESGYYXVVLQ-LJQANCHMSA-N 0 3 312.388 3.629 20 30 DHEDHN COc1ccc(Br)c(CN[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000295123202 334219067 /nfs/dbraw/zinc/21/90/67/334219067.db2.gz WYPSZGRVEDTLAH-AAEUAGOBSA-N 0 3 323.234 3.630 20 30 DHEDHN CC[C@@H]1CCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000295590680 334225519 /nfs/dbraw/zinc/22/55/19/334225519.db2.gz DGWZPCLKRZYIRW-QYZOEREBSA-N 0 3 323.440 3.573 20 30 DHEDHN COc1ccc2c(c1)C[C@@H](N[C@@H](CCC#N)c1ccccc1)CO2 ZINC000296657388 334235858 /nfs/dbraw/zinc/23/58/58/334235858.db2.gz DWXNCVOHJSPHDP-MJGOQNOKSA-N 0 3 322.408 3.633 20 30 DHEDHN C=CCOc1ccc(CNCc2cccc3c2CCCN3)cc1 ZINC000415045845 334261186 /nfs/dbraw/zinc/26/11/86/334261186.db2.gz YSQMCVKNGQNWDU-UHFFFAOYSA-N 0 3 308.425 3.899 20 30 DHEDHN C=CC[C@@H](C(=O)NCc1ccc(CN(C)C)cc1)c1ccccc1 ZINC000187484790 334263636 /nfs/dbraw/zinc/26/36/36/334263636.db2.gz QVIIKVLACQOCPV-HXUWFJFHSA-N 0 3 322.452 3.724 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000187727912 334269884 /nfs/dbraw/zinc/26/98/84/334269884.db2.gz DKJJYWVGEZELEU-FOIQADDNSA-N 0 3 304.393 3.751 20 30 DHEDHN N#Cc1cccc(CNCCOc2cccc3ccccc32)c1 ZINC000048778260 334296438 /nfs/dbraw/zinc/29/64/38/334296438.db2.gz DWGGJNBFETYGCZ-UHFFFAOYSA-N 0 3 302.377 3.880 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc([N+](=O)[O-])c1 ZINC000341695671 334471089 /nfs/dbraw/zinc/47/10/89/334471089.db2.gz BXFFVEJBZNVFDR-GOSISDBHSA-N 0 3 307.353 3.634 20 30 DHEDHN COc1cc(CNCCSc2ccc(C)cc2)ccc1C#N ZINC000440810826 334633045 /nfs/dbraw/zinc/63/30/45/334633045.db2.gz WMYOHOZHDJJUIS-UHFFFAOYSA-N 0 3 312.438 3.757 20 30 DHEDHN CCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1OC ZINC000443967444 338464612 /nfs/dbraw/zinc/46/46/12/338464612.db2.gz MBKZGEHVFCRHLH-UHFFFAOYSA-N 0 3 310.397 3.564 20 30 DHEDHN CC(C)(O)CN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000343701374 335189097 /nfs/dbraw/zinc/18/90/97/335189097.db2.gz XBGINXSOXAKWJP-UHFFFAOYSA-N 0 3 308.425 3.526 20 30 DHEDHN COc1cccc(CNCC(C)(C)CCC#N)c1OC(F)F ZINC000344409367 335246770 /nfs/dbraw/zinc/24/67/70/335246770.db2.gz NAVDZCYICXNEPX-UHFFFAOYSA-N 0 3 312.360 3.716 20 30 DHEDHN CCO[C@@H](CCNCc1ccc(C#N)cc1F)C1CCCC1 ZINC000344610882 335263939 /nfs/dbraw/zinc/26/39/39/335263939.db2.gz ASKBNWZFNHYXTG-SFHVURJKSA-N 0 3 304.409 3.772 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2SCCc3ccccc32)s1 ZINC000344757254 335273623 /nfs/dbraw/zinc/27/36/23/335273623.db2.gz GQOQWKKQULWONZ-INIZCTEOSA-N 0 3 300.452 3.740 20 30 DHEDHN N#CCCCOc1cccc(CNCc2ccc3c(c2)COC3)c1 ZINC000344963288 335288385 /nfs/dbraw/zinc/28/83/85/335288385.db2.gz JDQYVTZQJCXULZ-UHFFFAOYSA-N 0 3 322.408 3.689 20 30 DHEDHN C=CCOc1ccc(CN(C)C[C@@H](C)c2nccs2)cc1 ZINC000346277267 335391513 /nfs/dbraw/zinc/39/15/13/335391513.db2.gz RVYGTSONZIYVDW-CQSZACIVSA-N 0 3 302.443 3.943 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Oc2ccccn2)CC1 ZINC000348505449 335591546 /nfs/dbraw/zinc/59/15/46/335591546.db2.gz BSYJGPCRLUDIGX-OAHLLOKOSA-N 0 3 307.397 3.558 20 30 DHEDHN C=C(C)COCCNCc1cc(Br)c(Cl)s1 ZINC000191696812 335830373 /nfs/dbraw/zinc/83/03/73/335830373.db2.gz JLOPODBCCRMBBT-UHFFFAOYSA-N 0 3 324.671 3.846 20 30 DHEDHN CCCCN(CCCC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000097132543 335842690 /nfs/dbraw/zinc/84/26/90/335842690.db2.gz YBXSDJJVXQIVKU-UHFFFAOYSA-N 0 3 305.422 3.609 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000351096828 336013426 /nfs/dbraw/zinc/01/34/26/336013426.db2.gz HRMBIGUNCURXMQ-LJQANCHMSA-N 0 3 312.457 3.708 20 30 DHEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1coc(C2CCCC2)n1 ZINC000329938408 336097436 /nfs/dbraw/zinc/09/74/36/336097436.db2.gz AHXDCWBYHZPKPS-ZIAGYGMSSA-N 0 3 319.449 3.757 20 30 DHEDHN N#Cc1ccc(C2(C(=O)NC[C@H]3CCCCN3C3CC3)CC2)cc1 ZINC000329962596 336100454 /nfs/dbraw/zinc/10/04/54/336100454.db2.gz SFAWWBQLCKBUAO-GOSISDBHSA-N 0 3 323.440 3.563 20 30 DHEDHN C[C@@H]1CCC[C@@H](NCC(=O)Nc2nc3c(s2)CCC3)[C@H]1C ZINC000330080233 336111877 /nfs/dbraw/zinc/11/18/77/336111877.db2.gz OVUKSCZYFLRSND-GRYCIOLGSA-N 0 3 307.463 3.634 20 30 DHEDHN C[C@H](C1CC1)n1cc(NC(=O)[C@H]2CCCN2C2CCCC2)cn1 ZINC000330324262 336158314 /nfs/dbraw/zinc/15/83/14/336158314.db2.gz UAVUDRDYHADVAQ-CXAGYDPISA-N 0 3 316.449 3.849 20 30 DHEDHN CC(C)[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332670486 336178339 /nfs/dbraw/zinc/17/83/39/336178339.db2.gz QKUXRQRSKQBXIT-IRXDYDNUSA-N 0 3 324.428 3.913 20 30 DHEDHN Cc1cccc(CN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000352329122 336212709 /nfs/dbraw/zinc/21/27/09/336212709.db2.gz KJBPCKDCTGMZCJ-UHFFFAOYSA-N 0 3 306.409 3.910 20 30 DHEDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccc(OCC#N)cc1 ZINC000192945849 336285675 /nfs/dbraw/zinc/28/56/75/336285675.db2.gz HLKYDPHXKIAGIA-HNNXBMFYSA-N 0 3 309.413 3.506 20 30 DHEDHN N#Cc1ccc(N[C@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000301352016 336302072 /nfs/dbraw/zinc/30/20/72/336302072.db2.gz NAGSBTRPTANKDL-LJQANCHMSA-N 0 3 309.388 3.946 20 30 DHEDHN N#Cc1cccc(CCNCc2cscc2C(F)(F)F)c1 ZINC000352882074 336317409 /nfs/dbraw/zinc/31/74/09/336317409.db2.gz CITQDUODYGXDAP-UHFFFAOYSA-N 0 3 310.344 3.971 20 30 DHEDHN CCCN(CCN1CCCC1)Cc1ccc(Cl)cc1C#N ZINC000352885579 336330884 /nfs/dbraw/zinc/33/08/84/336330884.db2.gz OBZIGCGOWLECOB-UHFFFAOYSA-N 0 3 305.853 3.519 20 30 DHEDHN C=CCN1CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000301833566 336333031 /nfs/dbraw/zinc/33/30/31/336333031.db2.gz UYDMHEOOKBHSIZ-UHFFFAOYSA-N 0 3 309.335 3.639 20 30 DHEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H](C)N(C)Cc1ccccc1 ZINC000302125937 336349804 /nfs/dbraw/zinc/34/98/04/336349804.db2.gz WFRAWTVAWFGXHJ-OAHLLOKOSA-N 0 3 321.424 3.693 20 30 DHEDHN CCc1ccc([C@H](CNc2c(C#N)cccc2C#N)N(C)C)cc1 ZINC000302412212 336358456 /nfs/dbraw/zinc/35/84/56/336358456.db2.gz HDDAUBNRFYISDM-IBGZPJMESA-N 0 3 318.424 3.707 20 30 DHEDHN N#Cc1cccc(C#N)c1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000302821512 336370561 /nfs/dbraw/zinc/37/05/61/336370561.db2.gz DMAVVEJFMJXDFJ-IBGZPJMESA-N 0 3 316.408 3.679 20 30 DHEDHN C=CCc1cc(CNCc2ccc(C#N)cc2)cc(OC)c1OC ZINC000105478118 336387712 /nfs/dbraw/zinc/38/77/12/336387712.db2.gz IHRNNNSYKMEUOA-UHFFFAOYSA-N 0 3 322.408 3.594 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(-n3ccnc3)c1)CC2 ZINC000353244938 336407936 /nfs/dbraw/zinc/40/79/36/336407936.db2.gz VYCMACXOVFIQGH-FQEVSTJZSA-N 0 3 314.392 3.521 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccccc1-n1ccnn1)c1ccc(C#N)cc1 ZINC000353389251 336414822 /nfs/dbraw/zinc/41/48/22/336414822.db2.gz UNRSTMQLEFUOHQ-GJZGRUSLSA-N 0 3 317.396 3.551 20 30 DHEDHN Cc1ccsc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000353425574 336417179 /nfs/dbraw/zinc/41/71/79/336417179.db2.gz YZCZKGOSFXANSQ-UHFFFAOYSA-N 0 3 312.438 3.972 20 30 DHEDHN COCC1(C)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000354746483 336480969 /nfs/dbraw/zinc/48/09/69/336480969.db2.gz HHFNDPTZEGCBJW-UHFFFAOYSA-N 0 3 316.445 3.618 20 30 DHEDHN Cc1nc2ccccc2n1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358552888 336634309 /nfs/dbraw/zinc/63/43/09/336634309.db2.gz HMVFROBEHWPEFG-CYBMUJFWSA-N 0 3 322.387 3.706 20 30 DHEDHN Cc1noc(C)c1[C@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358567901 336634901 /nfs/dbraw/zinc/63/49/01/336634901.db2.gz KOEBQMASPLSPJK-GHMZBOCLSA-N 0 3 301.365 3.757 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cccc(CO)c1 ZINC000360840421 336724062 /nfs/dbraw/zinc/72/40/62/336724062.db2.gz NQEXWKUVDJBSSC-HXUWFJFHSA-N 0 3 306.409 3.608 20 30 DHEDHN N#Cc1cccc(OC2CCN([C@@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000361285875 336748714 /nfs/dbraw/zinc/74/87/14/336748714.db2.gz FZSIAPMIMCPGEX-NHCUHLMSSA-N 0 3 318.420 3.958 20 30 DHEDHN C[C@H](N[C@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000368137526 336839292 /nfs/dbraw/zinc/83/92/92/336839292.db2.gz AQKCXJVAFKWSEE-YOEHRIQHSA-N 0 3 309.388 3.627 20 30 DHEDHN CC(C)c1ccc([C@H](C)N2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000370134238 336878185 /nfs/dbraw/zinc/87/81/85/336878185.db2.gz WCRYSVOVZVSRFZ-HNNXBMFYSA-N 0 3 323.444 3.671 20 30 DHEDHN C=CCCCC(=O)N(Cc1ccccc1F)C1CCN(C)CC1 ZINC000372715389 336938121 /nfs/dbraw/zinc/93/81/21/336938121.db2.gz JKNHPWBVVCGVDS-UHFFFAOYSA-N 0 3 318.436 3.605 20 30 DHEDHN N#Cc1ccc(CNC2CC(c3ccc(F)c(Cl)c3)C2)o1 ZINC000374199781 336983692 /nfs/dbraw/zinc/98/36/92/336983692.db2.gz QOPQLUSYBIZMBP-UHFFFAOYSA-N 0 3 304.752 3.980 20 30 DHEDHN Cc1cncc([C@@H](C)N[C@H]2CCCN(c3ccccc3C#N)C2)c1 ZINC000375115544 337003627 /nfs/dbraw/zinc/00/36/27/337003627.db2.gz RAOOWXNAYSKHGO-APWZRJJASA-N 0 3 320.440 3.581 20 30 DHEDHN N#CC1(CCCN2Cc3ccccc3C3(CC3)C2)CCOCC1 ZINC000375610146 337014485 /nfs/dbraw/zinc/01/44/85/337014485.db2.gz FDDMNJXTHXXETA-UHFFFAOYSA-N 0 3 310.441 3.634 20 30 DHEDHN CC[C@H](NC[C@H]1OCCc2ccccc21)c1ccc(C#N)cc1 ZINC000376479944 337034460 /nfs/dbraw/zinc/03/44/60/337034460.db2.gz WDUQVXRWAYYTRS-VQTJNVASSA-N 0 3 306.409 3.913 20 30 DHEDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000378447442 337073136 /nfs/dbraw/zinc/07/31/36/337073136.db2.gz AMJNOPXUHGBMFD-IFXJQAMLSA-N 0 3 319.408 3.707 20 30 DHEDHN C#CCOc1ccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000360053653 337084422 /nfs/dbraw/zinc/08/44/22/337084422.db2.gz DMOJGDIATYGKHF-PZJWPPBQSA-N 0 3 321.420 3.566 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Cc2cccnc2)CC1 ZINC000360060959 337084817 /nfs/dbraw/zinc/08/48/17/337084817.db2.gz RMMDOVMQZUQTMJ-MRXNPFEDSA-N 0 3 305.425 3.969 20 30 DHEDHN C=CCC[C@H](CO)NCc1ccc(Cl)c(Br)c1 ZINC000320976222 337085750 /nfs/dbraw/zinc/08/57/50/337085750.db2.gz HEGLWVVRHDMTFC-LLVKDONJSA-N 0 3 318.642 3.519 20 30 DHEDHN COC(=O)CCCN(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000172080683 337089724 /nfs/dbraw/zinc/08/97/24/337089724.db2.gz XFFVQQMDYGPTKR-UHFFFAOYSA-N 0 3 322.408 3.514 20 30 DHEDHN N#CCSCCCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000177721157 337158732 /nfs/dbraw/zinc/15/87/32/337158732.db2.gz RSQMIAAJMZDVIT-UHFFFAOYSA-N 0 3 312.438 3.952 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc([C@@H](C)O)cc2)cc1 ZINC000178548048 337163165 /nfs/dbraw/zinc/16/31/65/337163165.db2.gz YEXFSZPJGRYLBW-JKSUJKDBSA-N 0 3 309.409 3.603 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000179706072 337169077 /nfs/dbraw/zinc/16/90/77/337169077.db2.gz KWVMUEWWDRVWFV-DNVCBOLYSA-N 0 3 309.413 3.653 20 30 DHEDHN C=CCOc1cccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000180609722 337176648 /nfs/dbraw/zinc/17/66/48/337176648.db2.gz UJORQVZNALTVQS-LPHOPBHVSA-N 0 3 311.429 3.531 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000185660978 337249871 /nfs/dbraw/zinc/24/98/71/337249871.db2.gz BQMGYPCUYJNHBP-ZOBUZTSGSA-N 0 3 320.502 3.850 20 30 DHEDHN C=CCC1(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CCC1 ZINC000189282776 337278329 /nfs/dbraw/zinc/27/83/29/337278329.db2.gz QGWKXKSCHPEQOB-FUHWJXTLSA-N 0 3 312.457 3.512 20 30 DHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000190726547 337289156 /nfs/dbraw/zinc/28/91/56/337289156.db2.gz QFBTZNIPRDFHSF-NSHDSACASA-N 0 3 323.318 3.646 20 30 DHEDHN N#Cc1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1F ZINC000192160866 337303478 /nfs/dbraw/zinc/30/34/78/337303478.db2.gz DGKDUVZQBBWQPU-OXJNMPFZSA-N 0 3 324.399 3.955 20 30 DHEDHN Cc1cc(CNC2CC(OCc3ccccc3)C2)ccc1C#N ZINC000583301637 337311831 /nfs/dbraw/zinc/31/18/31/337311831.db2.gz CODTZIBDVYSCPO-UHFFFAOYSA-N 0 3 306.409 3.704 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCc3c2cccc3Br)C1 ZINC000584496651 337350122 /nfs/dbraw/zinc/35/01/22/337350122.db2.gz NKXGWJQKMBAZRV-ZETOZRRWSA-N 0 3 305.219 3.718 20 30 DHEDHN C=CCCCNCc1cc(OC)c(OC)cc1Br ZINC000310752036 337388741 /nfs/dbraw/zinc/38/87/41/337388741.db2.gz INTHCUPNBXDHME-UHFFFAOYSA-N 0 3 314.223 3.522 20 30 DHEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1cccc(C2CC2)c1 ZINC000580403047 337397048 /nfs/dbraw/zinc/39/70/48/337397048.db2.gz FVGWMTJQKABIES-CQSZACIVSA-N 0 3 319.408 3.725 20 30 DHEDHN C[C@H](Cn1cccn1)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000123556143 337399786 /nfs/dbraw/zinc/39/97/86/337399786.db2.gz WEUJOVDWXPUYNW-MRXNPFEDSA-N 0 3 316.408 3.600 20 30 DHEDHN C=CCOc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000047454074 337430047 /nfs/dbraw/zinc/43/00/47/337430047.db2.gz DUBNSESSZPBXMY-UHFFFAOYSA-N 0 3 310.397 3.565 20 30 DHEDHN C[C@@H](NCC1(CO)CC2(CCC2)C1)c1ccc(C#N)cc1Cl ZINC000564032396 337448108 /nfs/dbraw/zinc/44/81/08/337448108.db2.gz IMSQGKWNQQQOIQ-CYBMUJFWSA-N 0 3 318.848 3.805 20 30 DHEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C(=O)N(C)C)c1ccccc1 ZINC000419336174 337479980 /nfs/dbraw/zinc/47/99/80/337479980.db2.gz XASKUIWHYZUJFT-UXHICEINSA-N 0 3 322.452 3.593 20 30 DHEDHN C#CCCN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000273253722 337651059 /nfs/dbraw/zinc/65/10/59/337651059.db2.gz CQSFQKCOMQDFSN-LBPRGKRZSA-N 0 3 300.427 3.801 20 30 DHEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000424101843 337736701 /nfs/dbraw/zinc/73/67/01/337736701.db2.gz KLNPURQVBRZXMR-OALUTQOASA-N 0 3 321.424 3.524 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000424202281 337808838 /nfs/dbraw/zinc/80/88/38/337808838.db2.gz SPYXJKCLABBJCT-XHDPSFHLSA-N 0 3 300.793 3.512 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000424206375 337809456 /nfs/dbraw/zinc/80/94/56/337809456.db2.gz WYKCPPVTEQLVJS-GXSJLCMTSA-N 0 3 300.736 3.723 20 30 DHEDHN C=C(C)[C@@H](NC1CC(CC(=O)OC)C1)c1ccc(F)c(F)c1 ZINC000424285231 337815344 /nfs/dbraw/zinc/81/53/44/337815344.db2.gz USOBZVQBHJGBFP-FWXSHLFISA-N 0 3 309.356 3.513 20 30 DHEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2c2ccccc2Cl)nn1 ZINC000424292066 337816278 /nfs/dbraw/zinc/81/62/78/337816278.db2.gz GAFFBLHRWHSPJY-RDJZCZTQSA-N 0 3 316.836 3.543 20 30 DHEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2c2ccccc2Cl)nn1 ZINC000424292064 337816334 /nfs/dbraw/zinc/81/63/34/337816334.db2.gz GAFFBLHRWHSPJY-NVXWUHKLSA-N 0 3 316.836 3.543 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000106338883 337816647 /nfs/dbraw/zinc/81/66/47/337816647.db2.gz RAUTWDVDCSRUJV-QZTJIDSGSA-N 0 3 321.509 3.541 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000084599908 337845340 /nfs/dbraw/zinc/84/53/40/337845340.db2.gz VUIXNPAEXKDLQJ-MRXNPFEDSA-N 0 3 322.452 3.710 20 30 DHEDHN FC(F)(F)Oc1ccc(C#CCN2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426458364 338032834 /nfs/dbraw/zinc/03/28/34/338032834.db2.gz JHCJFHHASODFPF-HOCLYGCPSA-N 0 3 309.331 3.811 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]32)c(Br)c1 ZINC000426522516 338034018 /nfs/dbraw/zinc/03/40/18/338034018.db2.gz KHFNEPRYEUJXBO-SWLSCSKDSA-N 0 3 305.219 3.695 20 30 DHEDHN C=CCCCCCN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000428777090 338060913 /nfs/dbraw/zinc/06/09/13/338060913.db2.gz DCGIXVPXRQZUOD-UHFFFAOYSA-N 0 3 304.409 3.635 20 30 DHEDHN CCCCOc1cc(CNCC2(CC#N)CC2)ccc1OC ZINC000430037295 338094173 /nfs/dbraw/zinc/09/41/73/338094173.db2.gz RWVPHKVIPHULQZ-UHFFFAOYSA-N 0 3 302.418 3.658 20 30 DHEDHN C/C(=C/c1ccccc1)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430183336 338100105 /nfs/dbraw/zinc/10/01/05/338100105.db2.gz AKANXRMBVXRALA-JVCXIRSZSA-N 0 3 319.408 3.510 20 30 DHEDHN Cc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)n1C ZINC000430596212 338109580 /nfs/dbraw/zinc/10/95/80/338109580.db2.gz JBAUODLQSJOUGM-NSHDSACASA-N 0 3 301.415 3.578 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCc2occc21 ZINC000433225532 338186703 /nfs/dbraw/zinc/18/67/03/338186703.db2.gz IVXUHIJDFIYFGK-WBVHZDCISA-N 0 3 308.381 3.546 20 30 DHEDHN CS[C@@H]1CCC[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433340591 338193268 /nfs/dbraw/zinc/19/32/68/338193268.db2.gz FAHAMUYJERNYDN-IXDOHACOSA-N 0 3 316.470 3.549 20 30 DHEDHN CCN(C(=O)C(C#N)CCc1ccccc1)[C@@H](C)c1cccnc1 ZINC000433351177 338193718 /nfs/dbraw/zinc/19/37/18/338193718.db2.gz FECKKNUKEZSUTK-FUHWJXTLSA-N 0 3 321.424 3.764 20 30 DHEDHN CCCN(Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(C#N)cc1 ZINC000435138943 338233112 /nfs/dbraw/zinc/23/31/12/338233112.db2.gz VCDNGTUYGUBVDG-UHFFFAOYSA-N 0 3 320.396 3.954 20 30 DHEDHN C=CCSCCNCc1ccc(N(C)c2ccccc2)nc1 ZINC000435781258 338248845 /nfs/dbraw/zinc/24/88/45/338248845.db2.gz HYCUOTSRBIPFKU-UHFFFAOYSA-N 0 3 313.470 3.858 20 30 DHEDHN C=CCN(C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000154793470 338252795 /nfs/dbraw/zinc/25/27/95/338252795.db2.gz VORPFQPKNMGKFF-UHFFFAOYSA-N 0 3 313.445 3.932 20 30 DHEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2c(C#N)cccc2C#N)C1 ZINC000436317715 338268914 /nfs/dbraw/zinc/26/89/14/338268914.db2.gz NFHYXSKRFZUKBR-DNVCBOLYSA-N 0 3 316.408 3.677 20 30 DHEDHN CCS[C@H]1CCCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000437365404 338308023 /nfs/dbraw/zinc/30/80/23/338308023.db2.gz QQMLVUZENNLLAO-INIZCTEOSA-N 0 3 304.459 3.674 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@@H](Cc2ccccc2)C1 ZINC000438062559 338329487 /nfs/dbraw/zinc/32/94/87/338329487.db2.gz WTUVDDKWYCSZAR-SFHVURJKSA-N 0 3 306.409 3.631 20 30 DHEDHN C[C@H](Nc1ncc(C#N)cc1Cl)[C@H](c1ccccc1)N(C)C ZINC000439128376 338361808 /nfs/dbraw/zinc/36/18/08/338361808.db2.gz NGEDLGDNNNKSGB-BLLLJJGKSA-N 0 3 314.820 3.710 20 30 DHEDHN C[C@@H]1N(Cc2ccc(C#N)cc2Cl)CCC12CCOCC2 ZINC000439439771 338369427 /nfs/dbraw/zinc/36/94/27/338369427.db2.gz NJKYTSJCXFNPTM-ZDUSSCGKSA-N 0 3 304.821 3.603 20 30 DHEDHN C=CCOc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1 ZINC000439770964 338377626 /nfs/dbraw/zinc/37/76/26/338377626.db2.gz CBRVTZRQVFOCGQ-LJQANCHMSA-N 0 3 301.430 3.642 20 30 DHEDHN COc1cc(CNC[C@H](Nc2ccccc2)C(C)C)ccc1C#N ZINC000440836095 338398460 /nfs/dbraw/zinc/39/84/60/338398460.db2.gz YVUZTTDBHGTEBJ-IBGZPJMESA-N 0 3 323.440 3.793 20 30 DHEDHN C=CCCCN1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440912657 338399809 /nfs/dbraw/zinc/39/98/09/338399809.db2.gz IYZKZHUUIWIKHI-INIZCTEOSA-N 0 3 312.413 3.593 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000442839572 338434064 /nfs/dbraw/zinc/43/40/64/338434064.db2.gz WWOFXLIMWFOVBR-GXFFZTMASA-N 0 3 318.218 3.712 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(Oc3ccccc3F)c2)C1 ZINC000442858103 338435305 /nfs/dbraw/zinc/43/53/05/338435305.db2.gz OCWIQCKIEOSCBP-UKRRQHHQSA-N 0 3 311.360 3.795 20 30 DHEDHN COC[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(F)c(F)c1 ZINC000449207303 338602454 /nfs/dbraw/zinc/60/24/54/338602454.db2.gz QUXVVWLGRYGDOK-BLDCVEFLSA-N 0 3 308.372 3.714 20 30 DHEDHN CC1(C#N)CCC(NCc2c(F)cccc2N2CCCC2)CC1 ZINC000449318685 338612439 /nfs/dbraw/zinc/61/24/39/338612439.db2.gz XADNMBARUNLYGY-UHFFFAOYSA-N 0 3 315.436 3.988 20 30 DHEDHN Cc1cccnc1CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000449505417 338633031 /nfs/dbraw/zinc/63/30/31/338633031.db2.gz ZFDXMRAPNCSPFK-UHFFFAOYSA-N 0 3 319.330 3.613 20 30 DHEDHN COc1cc(F)cc(C[C@H](C)NCc2ccc(C#N)cc2F)c1 ZINC000449779754 338652222 /nfs/dbraw/zinc/65/22/22/338652222.db2.gz FACBXVXNTWVNIT-LBPRGKRZSA-N 0 3 316.351 3.566 20 30 DHEDHN Cc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000452080836 338753014 /nfs/dbraw/zinc/75/30/14/338753014.db2.gz PLPXCNUWOQQUKK-LSDHHAIUSA-N 0 3 307.397 3.545 20 30 DHEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(Br)c(F)c1 ZINC000453370610 338833262 /nfs/dbraw/zinc/83/32/62/338833262.db2.gz UJBLMEJYBMOGDH-PWSUYJOCSA-N 0 3 316.214 3.566 20 30 DHEDHN CCN(Cc1cc(=O)[nH]c(C2CC2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000459306066 339020485 /nfs/dbraw/zinc/02/04/85/339020485.db2.gz PTOLJDZCCIBRLA-ZDUSSCGKSA-N 0 3 322.412 3.514 20 30 DHEDHN N#C[C@@H]1CCC[C@H]1NCCCOc1cccc(C(F)(F)F)c1 ZINC000459467197 339030892 /nfs/dbraw/zinc/03/08/92/339030892.db2.gz PITWZFGVTSCQKL-SWLSCSKDSA-N 0 3 312.335 3.756 20 30 DHEDHN CC#CCCNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459491140 339032543 /nfs/dbraw/zinc/03/25/43/339032543.db2.gz ZQAWPYAHYAZMBW-UHFFFAOYSA-N 0 3 308.429 3.563 20 30 DHEDHN C[C@@H]1CCCC[C@@]1(C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000459614402 339038553 /nfs/dbraw/zinc/03/85/53/339038553.db2.gz OFZVITSXPDUULL-FZKQIMNGSA-N 0 3 310.401 3.667 20 30 DHEDHN C[C@H]1CCCC[C@@]1(C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000459620384 339038939 /nfs/dbraw/zinc/03/89/39/339038939.db2.gz WCSQTEUOJMABSY-SCLBCKFNSA-N 0 3 310.401 3.667 20 30 DHEDHN COc1ccc(CN2CC(C(C)(C)C)C2)cc1OCCCC#N ZINC000459639525 339039671 /nfs/dbraw/zinc/03/96/71/339039671.db2.gz OMSWDFWJAMHBEB-UHFFFAOYSA-N 0 3 316.445 3.856 20 30 DHEDHN CCCCOc1ccc(CNCC(C)(C)CC#N)cc1OC ZINC000459661213 339041292 /nfs/dbraw/zinc/04/12/92/339041292.db2.gz ASKYTWRVMPIUEX-UHFFFAOYSA-N 0 3 304.434 3.904 20 30 DHEDHN CCC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCC1 ZINC000459802437 339049355 /nfs/dbraw/zinc/04/93/55/339049355.db2.gz MKALAKDHQNVMTO-MRXNPFEDSA-N 0 3 310.401 3.667 20 30 DHEDHN CC[C@@H]1CN(c2ccccc2)CCN1Cc1ccc(C#N)cc1 ZINC000461367340 339062472 /nfs/dbraw/zinc/06/24/72/339062472.db2.gz BVRAUIDYDCMSHC-LJQANCHMSA-N 0 3 305.425 3.659 20 30 DHEDHN C=CCOc1ccccc1CNC[C@@H](C)Oc1cccc(F)c1 ZINC000462733940 339085411 /nfs/dbraw/zinc/08/54/11/339085411.db2.gz HTIFGKCHJYQZSB-OAHLLOKOSA-N 0 3 315.388 3.948 20 30 DHEDHN C=CCOc1ccc(CNC[C@@H](C)Oc2ccccc2F)cc1 ZINC000462735294 339085665 /nfs/dbraw/zinc/08/56/65/339085665.db2.gz PPNDVLKVCXWJRB-OAHLLOKOSA-N 0 3 315.388 3.948 20 30 DHEDHN N#Cc1ccc(OCCNCc2ccc(-c3ccccc3)o2)cc1 ZINC000462763826 339087493 /nfs/dbraw/zinc/08/74/93/339087493.db2.gz MLFHVTBUIAKNIG-UHFFFAOYSA-N 0 3 318.376 3.987 20 30 DHEDHN C=C(C)COc1cc(CNC[C@](C)(OC)C2CC2)ccc1OC ZINC000462912596 339097783 /nfs/dbraw/zinc/09/77/83/339097783.db2.gz JWTHPUAFGFWWMC-IBGZPJMESA-N 0 3 319.445 3.555 20 30 DHEDHN C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)CC12CCCCC2 ZINC000463054640 339103243 /nfs/dbraw/zinc/10/32/43/339103243.db2.gz MEEUDGXAEBGWJQ-MRXNPFEDSA-N 0 3 322.456 3.998 20 30 DHEDHN Cc1cc(Cl)ccc1CNCCOc1ccc(C#N)cc1 ZINC000463740769 339125306 /nfs/dbraw/zinc/12/53/06/339125306.db2.gz GCMWLHADVYNCJI-UHFFFAOYSA-N 0 3 300.789 3.689 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)CC[C@H]1C)C(C)C ZINC000465539344 339179073 /nfs/dbraw/zinc/17/90/73/339179073.db2.gz CVZHKYYFVGMHMS-KZNAEPCWSA-N 0 3 321.509 3.515 20 30 DHEDHN C=CC[C@H](CC)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000466382998 339201686 /nfs/dbraw/zinc/20/16/86/339201686.db2.gz JJFBFEHESYAIGC-ZDUSSCGKSA-N 0 3 316.426 3.983 20 30 DHEDHN C=CC[C@H](CC)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000466400902 339202596 /nfs/dbraw/zinc/20/25/96/339202596.db2.gz GCYXOZITUVIRGA-LBPRGKRZSA-N 0 3 308.788 3.504 20 30 DHEDHN COc1cccc(CNCCc2cccc(C#N)c2)c1OC(C)C ZINC000466425787 339204343 /nfs/dbraw/zinc/20/43/43/339204343.db2.gz PBTAERLZBCOMFT-UHFFFAOYSA-N 0 3 324.424 3.686 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000467329865 339231833 /nfs/dbraw/zinc/23/18/33/339231833.db2.gz DYWFYMRGDNOMHM-APWZRJJASA-N 0 3 312.457 3.707 20 30 DHEDHN C=CCCN(C)CC1=Cc2cc(Br)ccc2OC1 ZINC000467368913 339234552 /nfs/dbraw/zinc/23/45/52/339234552.db2.gz IQUHPSXYKGXVLD-UHFFFAOYSA-N 0 3 308.219 3.733 20 30 DHEDHN C[C@@H](NCCc1cccc(C#N)c1)c1cc(F)c(F)c(F)c1 ZINC000467437636 339238603 /nfs/dbraw/zinc/23/86/03/339238603.db2.gz IWRZFVLWXBOFRZ-LLVKDONJSA-N 0 3 304.315 3.869 20 30 DHEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OCCCC(C)C)c1 ZINC000467612527 339243443 /nfs/dbraw/zinc/24/34/43/339243443.db2.gz AHIFMKQNPXMTAZ-HNNXBMFYSA-N 0 3 302.418 3.586 20 30 DHEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OCCCC(C)C)c1 ZINC000467612528 339243455 /nfs/dbraw/zinc/24/34/55/339243455.db2.gz AHIFMKQNPXMTAZ-OAHLLOKOSA-N 0 3 302.418 3.586 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000467890160 339248734 /nfs/dbraw/zinc/24/87/34/339248734.db2.gz OOVCWDHWXSQEIK-UXHICEINSA-N 0 3 314.473 3.760 20 30 DHEDHN C=C[C@@H](CC(=O)NC[C@@H]1N(C)CCCC1(C)C)c1ccccc1 ZINC000468480248 339263702 /nfs/dbraw/zinc/26/37/02/339263702.db2.gz UCFLCIATPUUSAG-WMZOPIPTSA-N 0 3 314.473 3.583 20 30 DHEDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(C#N)c1 ZINC000468629657 339267466 /nfs/dbraw/zinc/26/74/66/339267466.db2.gz VFSBOWSIHLYEOL-ZSOIEALJSA-N 0 3 307.353 3.660 20 30 DHEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000469522148 339292464 /nfs/dbraw/zinc/29/24/64/339292464.db2.gz OIIPFKDFZGXMFK-AZUAARDMSA-N 0 3 318.420 3.905 20 30 DHEDHN CCc1cccc(CN(CCOC)Cc2ccc(C#N)cc2)c1 ZINC000469579027 339293635 /nfs/dbraw/zinc/29/36/35/339293635.db2.gz RHHFWESLMURJEI-UHFFFAOYSA-N 0 3 308.425 3.769 20 30 DHEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc(C(=O)NC)cc1 ZINC000470921675 339331204 /nfs/dbraw/zinc/33/12/04/339331204.db2.gz WUPMBAVOBTWJRI-UHFFFAOYSA-N 0 3 308.425 3.625 20 30 DHEDHN C=CCC[C@@H](O)CN(Cc1cccc(Br)c1)C1CC1 ZINC000472743336 339376711 /nfs/dbraw/zinc/37/67/11/339376711.db2.gz BAJOVKQTEAVRCQ-MRXNPFEDSA-N 0 3 324.262 3.741 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)c(Cl)c1 ZINC000494466918 339950372 /nfs/dbraw/zinc/95/03/72/339950372.db2.gz GLYFFQJYMRMOGV-MSOLQXFVSA-N 0 3 312.800 3.831 20 30 DHEDHN COc1cc(C#N)ccc1CN(C)[C@H]1CCc2ccccc2C1 ZINC000501207933 340076254 /nfs/dbraw/zinc/07/62/54/340076254.db2.gz VXTDPMJFXVNPDZ-IBGZPJMESA-N 0 3 306.409 3.556 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCC[C@H]1C ZINC000501927477 340090869 /nfs/dbraw/zinc/09/08/69/340090869.db2.gz HZTQSIIGHBWONY-ZIAGYGMSSA-N 0 3 304.459 3.681 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000505010118 340158557 /nfs/dbraw/zinc/15/85/57/340158557.db2.gz BRUGWHRDKYGNQQ-INIZCTEOSA-N 0 3 315.461 3.801 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N[C@H](C)CN1CCCCC1 ZINC000505010119 340158616 /nfs/dbraw/zinc/15/86/16/340158616.db2.gz BRUGWHRDKYGNQQ-MRXNPFEDSA-N 0 3 315.461 3.801 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)OC(F)(F)O2)c1ccc(C#N)cc1 ZINC000508969941 340256626 /nfs/dbraw/zinc/25/66/26/340256626.db2.gz ZQJJEKIVFDQCLN-LLVKDONJSA-N 0 3 316.307 3.731 20 30 DHEDHN C=C(C)CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000509006080 340257997 /nfs/dbraw/zinc/25/79/97/340257997.db2.gz GZXXHJIBWDEAAJ-UHFFFAOYSA-N 0 3 322.836 3.662 20 30 DHEDHN N#Cc1csc(CN2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000510415652 340298528 /nfs/dbraw/zinc/29/85/28/340298528.db2.gz RBPHWSYGBRDQEK-INIZCTEOSA-N 0 3 300.402 3.966 20 30 DHEDHN CC(C#N)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000510427408 340299145 /nfs/dbraw/zinc/29/91/45/340299145.db2.gz RFATUIJRKGAAAN-SJKOYZFVSA-N 0 3 314.335 3.524 20 30 DHEDHN CSc1ccccc1CN(C)CCOc1ccccc1C#N ZINC000511101331 340320805 /nfs/dbraw/zinc/32/08/05/340320805.db2.gz LVWMRBKSPFJDIG-UHFFFAOYSA-N 0 3 312.438 3.791 20 30 DHEDHN C=CCN(CC(=O)N[C@H](C)c1ccccc1)CC1CCCCC1 ZINC000303423951 340325083 /nfs/dbraw/zinc/32/50/83/340325083.db2.gz BKSTXCSCPJDADI-QGZVFWFLSA-N 0 3 314.473 3.932 20 30 DHEDHN C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCCCN1CC ZINC000303424985 340325120 /nfs/dbraw/zinc/32/51/20/340325120.db2.gz BNZWYCDDOKBFLO-SFHVURJKSA-N 0 3 321.509 3.639 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC[C@@H]2CCCC[C@H]2C)CC1 ZINC000512059484 340347159 /nfs/dbraw/zinc/34/71/59/340347159.db2.gz QOJIJBLZPPTXKO-SJORKVTESA-N 0 3 321.509 3.543 20 30 DHEDHN C=C(C)CN(CCc1ccccc1CC)Cc1ccc(CO)o1 ZINC000512153892 340350195 /nfs/dbraw/zinc/35/01/95/340350195.db2.gz WFPCCYFDWJLKED-UHFFFAOYSA-N 0 3 313.441 3.955 20 30 DHEDHN C=C(C)CN(CCCc1cccc(F)c1)Cc1ccc(CO)o1 ZINC000512487444 340363717 /nfs/dbraw/zinc/36/37/17/340363717.db2.gz UYGFFKPYNMRKAE-UHFFFAOYSA-N 0 3 317.404 3.922 20 30 DHEDHN C=CCOc1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1 ZINC000512512224 340364855 /nfs/dbraw/zinc/36/48/55/340364855.db2.gz RULWOWICDNXFQH-UHFFFAOYSA-N 0 3 319.408 3.931 20 30 DHEDHN C=CCOc1ccc(CN[C@H](C)CC(=O)Nc2ccccc2)cc1 ZINC000512566080 340367122 /nfs/dbraw/zinc/36/71/22/340367122.db2.gz UUGIGFNNMOVCEU-MRXNPFEDSA-N 0 3 324.424 3.758 20 30 DHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N(C)c1ccccc1 ZINC000512631943 340370013 /nfs/dbraw/zinc/37/00/13/340370013.db2.gz VAAASYWIQDLVIM-CABCVRRESA-N 0 3 311.404 3.873 20 30 DHEDHN C[C@H](NCCN1[C@@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512666196 340371845 /nfs/dbraw/zinc/37/18/45/340371845.db2.gz JFCKDTJZWSOXEA-KKUMJFAQSA-N 0 3 303.425 3.611 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc3n[nH]cc3c2)cc1 ZINC000513021898 340389063 /nfs/dbraw/zinc/38/90/63/340389063.db2.gz LSXMABMEDQXRNA-AWEZNQCLSA-N 0 3 307.397 3.979 20 30 DHEDHN CCN(CCOc1ccccc1C#N)[C@H](C)c1cccc(O)c1 ZINC000174619759 340393232 /nfs/dbraw/zinc/39/32/32/340393232.db2.gz XCRKIIOUXOUDTI-OAHLLOKOSA-N 0 3 310.397 3.726 20 30 DHEDHN N#CCC1(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000516640661 340453252 /nfs/dbraw/zinc/45/32/52/340453252.db2.gz IVGUCRNJCZNMKK-KRWDZBQOSA-N 0 3 306.413 3.533 20 30 DHEDHN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCc1ccc(C#N)o1 ZINC000185736661 340504643 /nfs/dbraw/zinc/50/46/43/340504643.db2.gz OPELOMIDXXGNFV-ZWKOTPCHSA-N 0 3 310.397 3.625 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000190511668 340545553 /nfs/dbraw/zinc/54/55/53/340545553.db2.gz ZEFKDVNOSRJAJR-NVXWUHKLSA-N 0 3 308.491 3.850 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCC2CCCCC2)CC1 ZINC000522444501 340601713 /nfs/dbraw/zinc/60/17/13/340601713.db2.gz UZTNJSNUNOPCRH-INIZCTEOSA-N 0 3 321.509 3.685 20 30 DHEDHN COc1ccc([C@@H](NCc2ccc(C#N)cc2C)C2CC2)cn1 ZINC000528854468 340736990 /nfs/dbraw/zinc/73/69/90/340736990.db2.gz VNJITQOFLCSCBL-IBGZPJMESA-N 0 3 307.397 3.511 20 30 DHEDHN N#Cc1ccc(OCCN[C@H]2CSCCc3ccccc32)cc1 ZINC000537983270 340795528 /nfs/dbraw/zinc/79/55/28/340795528.db2.gz DXSVMZYRMXBJJV-IBGZPJMESA-N 0 3 324.449 3.557 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000126871084 340838864 /nfs/dbraw/zinc/83/88/64/340838864.db2.gz YQLBJELCDCFCOX-MRXNPFEDSA-N 0 3 306.494 3.750 20 30 DHEDHN C[C@H]1Cc2ccc(F)cc2[C@H]1NCCOc1ccc(C#N)cc1 ZINC000540187997 340922224 /nfs/dbraw/zinc/92/22/24/340922224.db2.gz IKVMRZGUTCHZLR-DJJJIMSYSA-N 0 3 310.372 3.599 20 30 DHEDHN CC(C)(NCCOc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000540434967 340931228 /nfs/dbraw/zinc/93/12/28/340931228.db2.gz AVVMJKFHNOFFKX-UHFFFAOYSA-N 0 3 316.351 3.740 20 30 DHEDHN N#CCC1CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000543808403 341059992 /nfs/dbraw/zinc/05/99/92/341059992.db2.gz OEIQCYGXEOEFAG-UHFFFAOYSA-N 0 3 321.424 3.786 20 30 DHEDHN Cc1ccnc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1C#N ZINC000544063220 341068720 /nfs/dbraw/zinc/06/87/20/341068720.db2.gz SVNBEYDIQMZJLT-INIZCTEOSA-N 0 3 314.820 3.630 20 30 DHEDHN C=CCCCN(C)Cc1cnc2c(C)cc(Br)cn12 ZINC000544347939 341077290 /nfs/dbraw/zinc/07/72/90/341077290.db2.gz CMYUIPVBGCUEIB-UHFFFAOYSA-N 0 3 322.250 3.803 20 30 DHEDHN C[C@H](NCC#Cc1ccc(F)cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000544514542 341084704 /nfs/dbraw/zinc/08/47/04/341084704.db2.gz ZQUSMMULAHIFHA-SIFCLUCFSA-N 0 3 309.384 3.720 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000131936500 341113812 /nfs/dbraw/zinc/11/38/12/341113812.db2.gz BFGNABXAVOUDGN-MRXNPFEDSA-N 0 3 306.494 3.750 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000131937126 341113859 /nfs/dbraw/zinc/11/38/59/341113859.db2.gz LIHHWLNTGNRMBK-KZNAEPCWSA-N 0 3 318.505 3.750 20 30 DHEDHN CC[C@H](CCc1ccc(Br)cc1)NC[C@@H](C)C#N ZINC000133032699 341152392 /nfs/dbraw/zinc/15/23/92/341152392.db2.gz HMWUJJAJPXGJKR-SWLSCSKDSA-N 0 3 309.251 3.910 20 30 DHEDHN CCOc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000075755691 341182013 /nfs/dbraw/zinc/18/20/13/341182013.db2.gz WXJBFHNDTSZSNQ-AWEZNQCLSA-N 0 3 310.397 3.816 20 30 DHEDHN C=C[C@H](CC(=O)N(CCN(C)C)C1CCCC1)c1ccccc1 ZINC000134589004 341219071 /nfs/dbraw/zinc/21/90/71/341219071.db2.gz SDOFPXAKFIWWOS-QGZVFWFLSA-N 0 3 314.473 3.679 20 30 DHEDHN CC(C)(C#N)CCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135220252 341233445 /nfs/dbraw/zinc/23/34/45/341233445.db2.gz KFYFHONICXWTCZ-UHFFFAOYSA-N 0 3 301.390 3.889 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 ZINC000078624374 341245205 /nfs/dbraw/zinc/24/52/05/341245205.db2.gz IWMCRVPWEDAVMA-HUUCEWRRSA-N 0 3 306.475 3.698 20 30 DHEDHN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245415862 341292219 /nfs/dbraw/zinc/29/22/19/341292219.db2.gz DQOJNZAKIGAMKA-MGPUTAFESA-N 0 3 319.408 3.580 20 30 DHEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245415861 341292343 /nfs/dbraw/zinc/29/23/43/341292343.db2.gz DQOJNZAKIGAMKA-FOIQADDNSA-N 0 3 319.408 3.580 20 30 DHEDHN Cc1ccccc1C(NCCOCCC#N)c1ccccc1C ZINC000549552597 341297501 /nfs/dbraw/zinc/29/75/01/341297501.db2.gz DYTXPCMDEASNDU-UHFFFAOYSA-N 0 3 308.425 3.913 20 30 DHEDHN C[C@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000549808030 341303508 /nfs/dbraw/zinc/30/35/08/341303508.db2.gz QCPANLWGJILQGM-APWZRJJASA-N 0 3 306.409 3.679 20 30 DHEDHN COc1cc(CCNCc2ccc(C#N)cc2F)ccc1Cl ZINC000549928155 341307069 /nfs/dbraw/zinc/30/70/69/341307069.db2.gz XBTGVKAVSSJAMQ-UHFFFAOYSA-N 0 3 318.779 3.692 20 30 DHEDHN COC(=O)c1cccc(CN(CC(C)C)C2CCCC2)c1C#N ZINC000550316070 341315043 /nfs/dbraw/zinc/31/50/43/341315043.db2.gz QXWGURFJIBLLCJ-UHFFFAOYSA-N 0 3 314.429 3.745 20 30 DHEDHN C=C(C)[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248586482 341380624 /nfs/dbraw/zinc/38/06/24/341380624.db2.gz XVLHPZUKINKVHH-YEWDVWPNSA-N 0 3 306.400 3.797 20 30 DHEDHN COc1ccc(C[C@H]2CCCN(Cc3ccc(C#N)o3)C2)cc1 ZINC000552272372 341382674 /nfs/dbraw/zinc/38/26/74/341382674.db2.gz MKIQVYZFTVQBSK-MRXNPFEDSA-N 0 3 310.397 3.615 20 30 DHEDHN CC[C@H](C)C(=O)Nc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000248699515 341384500 /nfs/dbraw/zinc/38/45/00/341384500.db2.gz AATGNAZLZBXAGO-UXLLHSPISA-N 0 3 313.445 3.843 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000249056785 341392737 /nfs/dbraw/zinc/39/27/37/341392737.db2.gz YVIMKAQHDMTCBO-AZOIQLNYSA-N 0 3 312.413 3.581 20 30 DHEDHN COc1ccc(CN[C@@H]2CCSc3ccccc32)cc1C#N ZINC000266172225 341586606 /nfs/dbraw/zinc/58/66/06/341586606.db2.gz CTHOCHXIVXFADS-MRXNPFEDSA-N 0 3 310.422 3.894 20 30 DHEDHN CN(C)c1cc(CNCc2cc(C#N)cs2)c2ccccc2n1 ZINC000177708178 341924574 /nfs/dbraw/zinc/92/45/74/341924574.db2.gz WRIOZYQNULPMHW-UHFFFAOYSA-N 0 3 322.437 3.524 20 30 DHEDHN CC[C@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000163219232 523061220 /nfs/dbraw/zinc/06/12/20/523061220.db2.gz UVJKSQRQQMASCE-GOEBONIOSA-N 0 3 310.401 3.667 20 30 DHEDHN Cc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000364942883 524586131 /nfs/dbraw/zinc/58/61/31/524586131.db2.gz JBWFRUDRRITKJL-UHFFFAOYSA-N 0 3 322.437 3.619 20 30 DHEDHN C[C@H](NC[C@](C)(O)c1ccccc1Cl)c1cccc(C#N)c1 ZINC000157559683 525425520 /nfs/dbraw/zinc/42/55/20/525425520.db2.gz CSOTVZZNCVPZOS-UGSOOPFHSA-N 0 3 314.816 3.770 20 30 DHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000339424419 525451990 /nfs/dbraw/zinc/45/19/90/525451990.db2.gz ZCGAIPWMBDMYLR-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN Cc1ccc(-c2nc(CCNCc3cccc(C#N)c3)co2)cc1 ZINC000105427417 525808589 /nfs/dbraw/zinc/80/85/89/525808589.db2.gz HARVJRVIIDKHAU-UHFFFAOYSA-N 0 3 317.392 3.854 20 30 DHEDHN C[C@@H](c1ccncc1)N1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000119292280 526154097 /nfs/dbraw/zinc/15/40/97/526154097.db2.gz PTMZEXPNGWOOAZ-AWEZNQCLSA-N 0 3 324.403 3.730 20 30 DHEDHN Cn1cc(CN2CCC(C3CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000366333435 527197930 /nfs/dbraw/zinc/19/79/30/527197930.db2.gz QIUGTOKITITBQN-UHFFFAOYSA-N 0 3 320.440 3.581 20 30 DHEDHN C=CCC[C@@H]([NH2+]Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823893983 607910254 /nfs/dbraw/zinc/91/02/54/607910254.db2.gz CXQSJBGZBSCMEH-GOSISDBHSA-N 0 3 319.412 3.664 20 30 DHEDHN C=CCC[C@@H]([NH2+]Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823893983 607910255 /nfs/dbraw/zinc/91/02/55/607910255.db2.gz CXQSJBGZBSCMEH-GOSISDBHSA-N 0 3 319.412 3.664 20 30 DHEDHN N#Cc1ccccc1CN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000339907379 1013054731 /nfs/dbraw/zinc/05/47/31/1013054731.db2.gz BOCNNFAVBOWHBC-SFHVURJKSA-N 0 3 316.408 3.573 20 30 DHEDHN C=CC[N@@H+](CCCCCCC)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573342084 947537845 /nfs/dbraw/zinc/53/78/45/947537845.db2.gz SUFGGSFFZIISCU-UHFFFAOYSA-N 0 3 313.449 3.825 20 30 DHEDHN C=CC[N@H+](CCCCCCC)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573342084 947537853 /nfs/dbraw/zinc/53/78/53/947537853.db2.gz SUFGGSFFZIISCU-UHFFFAOYSA-N 0 3 313.449 3.825 20 30 DHEDHN C=CC[N@@H+](CCCCCCC)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573342084 947537869 /nfs/dbraw/zinc/53/78/69/947537869.db2.gz SUFGGSFFZIISCU-UHFFFAOYSA-N 0 3 313.449 3.825 20 30 DHEDHN C=CC[N@H+](CCCCCCC)Cc1cccc(-c2nn[n-]n2)c1 ZINC001573342084 947537879 /nfs/dbraw/zinc/53/78/79/947537879.db2.gz SUFGGSFFZIISCU-UHFFFAOYSA-N 0 3 313.449 3.825 20 30 DHEDHN C=CCN(C)CCN(CC)C(=O)c1cc2sccc2s1 ZINC001626750845 1013384009 /nfs/dbraw/zinc/38/40/09/1013384009.db2.gz JFPDCNPOIIRWRB-UHFFFAOYSA-N 0 3 308.472 3.543 20 30 DHEDHN N#CC1(c2ccccn2)CCN(CCCc2ccsc2)CC1 ZINC000520257284 1013687026 /nfs/dbraw/zinc/68/70/26/1013687026.db2.gz UYRHVCCLVOCKHL-UHFFFAOYSA-N 0 3 311.454 3.633 20 30 DHEDHN N#Cc1ccc(CN[C@@H](CN2CCCC2)c2ccccc2)s1 ZINC000176944277 1013688155 /nfs/dbraw/zinc/68/81/55/1013688155.db2.gz RIMRXJQVNFMGBO-SFHVURJKSA-N 0 3 311.454 3.546 20 30 DHEDHN C=CCN1CCC(NC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328740988 1013794634 /nfs/dbraw/zinc/79/46/34/1013794634.db2.gz MBOLXOFBAFNSSP-UHFFFAOYSA-N 0 3 317.433 3.677 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccccc1CO ZINC000578949168 1013831534 /nfs/dbraw/zinc/83/15/34/1013831534.db2.gz RAYWCOOGGAJUJM-HXUWFJFHSA-N 0 3 306.409 3.608 20 30 DHEDHN CC[C@@H](C)n1ncc(C(=O)NCCN2CCCC(C)(C)C2)c1C ZINC000330957426 1013849059 /nfs/dbraw/zinc/84/90/59/1013849059.db2.gz IFHRKOUFQWWUQB-CQSZACIVSA-N 0 3 320.481 3.589 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cnn([C@@H](C)CC)c2C)CC1 ZINC000331104334 1013857128 /nfs/dbraw/zinc/85/71/28/1013857128.db2.gz PYMPMGXXQSBRJO-AWEZNQCLSA-N 0 3 318.465 3.508 20 30 DHEDHN CC(C)n1ncc2cc(CN[C@@H](C)c3cccc(C#N)c3)cnc21 ZINC000610344667 1013954589 /nfs/dbraw/zinc/95/45/89/1013954589.db2.gz DEWLPMQXJHKXTJ-AWEZNQCLSA-N 0 3 319.412 3.735 20 30 DHEDHN C=CCCCCCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000580095522 1014028348 /nfs/dbraw/zinc/02/83/48/1014028348.db2.gz XJZRIUFQQIOEAA-GOSISDBHSA-N 0 3 301.409 3.985 20 30 DHEDHN Cc1cc(Nc2cccc3c2OCC[C@@H]3N(C)C)ccc1C#N ZINC001210807466 1014057645 /nfs/dbraw/zinc/05/76/45/1014057645.db2.gz BNVCDILBUDUMDN-SFHVURJKSA-N 0 3 307.397 3.996 20 30 DHEDHN C=CCC[C@@H](CO)NCc1cccc(Br)c1Cl ZINC000706559434 1014101296 /nfs/dbraw/zinc/10/12/96/1014101296.db2.gz KMOLIIDOPIBKMO-NSHDSACASA-N 0 3 318.642 3.519 20 30 DHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1 ZINC000049224295 1014276018 /nfs/dbraw/zinc/27/60/18/1014276018.db2.gz ULLKWNJIBXHFLS-DOTOQJQBSA-N 0 3 314.429 3.586 20 30 DHEDHN Cc1oc2ccccc2c1CNCc1ccc(OCC#N)cc1 ZINC000179005350 1014440603 /nfs/dbraw/zinc/44/06/03/1014440603.db2.gz DPAWYLNODSCXPO-UHFFFAOYSA-N 0 3 306.365 3.933 20 30 DHEDHN COc1ccc(CNCc2c(C)oc3ccccc32)cc1C#N ZINC000179011130 1014451118 /nfs/dbraw/zinc/45/11/18/1014451118.db2.gz ZXGDQXCLVOYCCU-UHFFFAOYSA-N 0 3 306.365 3.911 20 30 DHEDHN COCCN(Cc1ccc(C#N)c(OC)c1)[C@H](C)c1ccccc1 ZINC000442798663 1014736578 /nfs/dbraw/zinc/73/65/78/1014736578.db2.gz JRWQHANJXSCKTC-MRXNPFEDSA-N 0 3 324.424 3.776 20 30 DHEDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2OC)C1 ZINC000121091901 1014923843 /nfs/dbraw/zinc/92/38/43/1014923843.db2.gz WUNUCZVMFSQULC-CVEARBPZSA-N 0 3 304.459 3.673 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](C)c2ccncc2)c([O-])c1 ZINC000749844650 1015072291 /nfs/dbraw/zinc/07/22/91/1015072291.db2.gz LETPIZGSMPRKNC-HFITWMCCSA-N 0 3 311.429 3.856 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000075755679 1015080712 /nfs/dbraw/zinc/08/07/12/1015080712.db2.gz LYFQZBRWIOQVJS-HNNXBMFYSA-N 0 3 322.408 3.982 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000106034776 1015168255 /nfs/dbraw/zinc/16/82/55/1015168255.db2.gz BGNVIGSPFSHEBB-UHFFFAOYSA-N 0 3 312.413 3.512 20 30 DHEDHN CSc1ccc(CNC[C@@H]2CC2(Cl)Cl)cc1C#N ZINC000895777436 1015299094 /nfs/dbraw/zinc/29/90/94/1015299094.db2.gz TZILKPCGTBYLGQ-NSHDSACASA-N 0 3 301.242 3.564 20 30 DHEDHN C=CCCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000474685800 1015539786 /nfs/dbraw/zinc/53/97/86/1015539786.db2.gz HNTFCQJWAFTVPI-KRWDZBQOSA-N 0 3 318.436 3.510 20 30 DHEDHN C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)c1cccc(C#N)c1 ZINC000610658763 1015694401 /nfs/dbraw/zinc/69/44/01/1015694401.db2.gz YOWFIGSRRXVFMS-CQSZACIVSA-N 0 3 302.381 3.799 20 30 DHEDHN C=CCN(CCCOC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000610681368 1015708035 /nfs/dbraw/zinc/70/80/35/1015708035.db2.gz HNPYRIRJWPKHNI-UHFFFAOYSA-N 0 3 306.406 3.788 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000341817945 1015750868 /nfs/dbraw/zinc/75/08/68/1015750868.db2.gz VIZFRBRJNDDZCZ-GOSISDBHSA-N 0 3 307.353 3.634 20 30 DHEDHN Cc1[nH]c2c(cc(C)cc2CNCc2cc(C#N)n(C)c2)c1C ZINC000276981832 1015794458 /nfs/dbraw/zinc/79/44/58/1015794458.db2.gz SRFMITLPHVSYCD-UHFFFAOYSA-N 0 3 306.413 3.593 20 30 DHEDHN Cc1cc(CN(Cc2ccccc2)CC2(CO)CC2)ccc1C#N ZINC000341969673 1015859531 /nfs/dbraw/zinc/85/95/31/1015859531.db2.gz NPBDWBMQHAZZLX-UHFFFAOYSA-N 0 3 320.436 3.641 20 30 DHEDHN N#CCC1CCC(N[C@H]2CCOc3cc(F)cc(F)c32)CC1 ZINC001173328792 1033688761 /nfs/dbraw/zinc/68/87/61/1033688761.db2.gz NYSSFMFDHUAFKD-HGMXIMQMSA-N 0 3 306.356 3.850 20 30 DHEDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000121706006 1016142962 /nfs/dbraw/zinc/14/29/62/1016142962.db2.gz MPSDEGKTEOWXIM-PKOBYXMFSA-N 0 3 310.397 3.940 20 30 DHEDHN C=CCCn1cc(CNC2CCC(c3ccccc3)CC2)nn1 ZINC000657300627 1016246675 /nfs/dbraw/zinc/24/66/75/1016246675.db2.gz RMFDWTVDALIQND-UHFFFAOYSA-N 0 3 310.445 3.670 20 30 DHEDHN CN(CCN(CCC#N)Cc1ccccc1)Cc1ccccc1 ZINC000342370457 1016317279 /nfs/dbraw/zinc/31/72/79/1016317279.db2.gz DAGFNAXDMQAFHP-UHFFFAOYSA-N 0 3 307.441 3.534 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000349429607 1017201507 /nfs/dbraw/zinc/20/15/07/1017201507.db2.gz RFCPXWYZWMMPBW-MPKXVKKWSA-N 0 3 321.218 3.555 20 30 DHEDHN CCc1noc(C)c1C/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000840707748 1016463927 /nfs/dbraw/zinc/46/39/27/1016463927.db2.gz YEIGFDSMTDTDRD-YBFXNURJSA-N 0 3 315.417 3.716 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(O)(c2ccccc2)CC1 ZINC000187726446 1016514635 /nfs/dbraw/zinc/51/46/35/1016514635.db2.gz QANATWRCDPSHHS-INIZCTEOSA-N 0 3 306.409 3.603 20 30 DHEDHN C=CCSCCNCc1cccc(F)c1OCC(F)(F)F ZINC000598964819 1038957965 /nfs/dbraw/zinc/95/79/65/1038957965.db2.gz YULNJJKFOPVLHW-UHFFFAOYSA-N 0 3 323.355 3.776 20 30 DHEDHN CCN(CC)[C@H](CNc1nc(C)cc(C)c1C#N)c1ccco1 ZINC000346947997 1016651447 /nfs/dbraw/zinc/65/14/47/1016651447.db2.gz WDHOEBBARFTGHG-MRXNPFEDSA-N 0 3 312.417 3.658 20 30 DHEDHN COc1ccc(CN2CCC(C)CC2)cc1OCCCC#N ZINC000158865157 1016810365 /nfs/dbraw/zinc/81/03/65/1016810365.db2.gz LRJUELXNWAFHPY-UHFFFAOYSA-N 0 3 302.418 3.610 20 30 DHEDHN C=CCCn1cc(CNCC2(c3ccc(C)c(C)c3)CCC2)nn1 ZINC000657452054 1016883399 /nfs/dbraw/zinc/88/33/99/1016883399.db2.gz GZKANWFZNRVGET-UHFFFAOYSA-N 0 3 324.472 3.683 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(C#N)cc2C)c1 ZINC000186081840 1016989571 /nfs/dbraw/zinc/98/95/71/1016989571.db2.gz PNFWMRZVPZTZBQ-AWEZNQCLSA-N 0 3 307.397 3.676 20 30 DHEDHN C[C@H](NCC#Cc1cccc(Cl)c1)[C@@H]1COc2ccccc21 ZINC000185582586 1017023980 /nfs/dbraw/zinc/02/39/80/1017023980.db2.gz FBCMJTPNZMTQPQ-KSSFIOAISA-N 0 3 311.812 3.846 20 30 DHEDHN C=CCOc1c(Cl)cc(CNCc2ccn(C)c2)cc1OC ZINC000623439577 1017047720 /nfs/dbraw/zinc/04/77/20/1017047720.db2.gz PGRNHBAUOBJIKO-UHFFFAOYSA-N 0 3 320.820 3.542 20 30 DHEDHN CC[C@@H](CC#N)NCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846981320 1032165020 /nfs/dbraw/zinc/16/50/20/1032165020.db2.gz LEWVWCPELSNPLO-INIZCTEOSA-N 0 3 323.481 3.696 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2[C@H](C)CCC)CC1 ZINC000119733021 1032305465 /nfs/dbraw/zinc/30/54/65/1032305465.db2.gz KZFNSBDGHBKJRA-AEFFLSMTSA-N 0 3 321.509 3.637 20 30 DHEDHN N#CC1CCN(CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000057873022 1032316015 /nfs/dbraw/zinc/31/60/15/1032316015.db2.gz GWKITQBACLHBCH-UHFFFAOYSA-N 0 3 312.335 3.710 20 30 DHEDHN CC(C)(C)[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000537624541 1032326520 /nfs/dbraw/zinc/32/65/20/1032326520.db2.gz YEWBHPBHEXMCKX-INIZCTEOSA-N 0 3 310.445 3.854 20 30 DHEDHN C=CCOCCCN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000348169230 1032487877 /nfs/dbraw/zinc/48/78/77/1032487877.db2.gz HVKXEAREMKBNRF-GFCCVEGCSA-N 0 3 309.360 3.675 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1cccc(F)c1 ZINC000054272568 1017298179 /nfs/dbraw/zinc/29/81/79/1017298179.db2.gz YOGGYBXCYUDRTR-IBGZPJMESA-N 0 3 315.388 3.556 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccccc2N(C)C)cc1 ZINC000773003881 1032520928 /nfs/dbraw/zinc/52/09/28/1032520928.db2.gz HZDMFTVXDZHVJO-INIZCTEOSA-N 0 3 308.425 3.615 20 30 DHEDHN COc1ccc(CN[C@H]2CSCCc3ccccc32)cc1C#N ZINC000773083801 1032551946 /nfs/dbraw/zinc/55/19/46/1032551946.db2.gz ODLMQGKZYSFTKJ-SFHVURJKSA-N 0 3 324.449 3.687 20 30 DHEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2cn[nH]c2)cc1 ZINC000773104645 1032559265 /nfs/dbraw/zinc/55/92/65/1032559265.db2.gz FPPJMBNRMVXJLU-OLZOCXBDSA-N 0 3 305.809 3.953 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@@H](c2cccnc2)C2CC2)cc1 ZINC000773118370 1032564976 /nfs/dbraw/zinc/56/49/76/1032564976.db2.gz LQHYOWCOSAMXOQ-FOIQADDNSA-N 0 3 306.409 3.896 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1COC2(CCCCC2)O1 ZINC001171399276 1032582654 /nfs/dbraw/zinc/58/26/54/1032582654.db2.gz CQWVNTJFJHQVNU-YJBOKZPZSA-N 0 3 314.429 3.627 20 30 DHEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000424098525 1011902809 /nfs/dbraw/zinc/90/28/09/1011902809.db2.gz TWVAAAIDWLUVPV-MRXNPFEDSA-N 0 3 317.458 3.681 20 30 DHEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1SC1CCCC1 ZINC000424096469 1011903171 /nfs/dbraw/zinc/90/31/71/1011903171.db2.gz XXHFZUZNBJKMNZ-AWEZNQCLSA-N 0 3 317.458 3.681 20 30 DHEDHN CC(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424116095 1011909427 /nfs/dbraw/zinc/90/94/27/1011909427.db2.gz BHKMATWLYYILLJ-HZPDHXFCSA-N 0 3 321.852 3.565 20 30 DHEDHN C=CCn1cc(CN[C@H]2C[C@H](c3ccccc3)C[C@H](C)C2)nn1 ZINC000424173880 1011928462 /nfs/dbraw/zinc/92/84/62/1011928462.db2.gz QHTZUZOZQMKAQC-CGTJXYLNSA-N 0 3 310.445 3.526 20 30 DHEDHN CC[C@@H](C)N[C@H](CNc1ncc2c(c1C#N)CCC2)c1ccco1 ZINC000425257319 1012381067 /nfs/dbraw/zinc/38/10/67/1012381067.db2.gz TXZBUVAQAYWALM-CXAGYDPISA-N 0 3 324.428 3.576 20 30 DHEDHN C=C(C)CCC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC001269939920 1012466001 /nfs/dbraw/zinc/46/60/01/1012466001.db2.gz OFCLZNANKCXGDU-SFHVURJKSA-N 0 3 302.462 3.616 20 30 DHEDHN COc1cc(CN(C)[C@H](C)c2cccc(C#N)c2)ccc1C#N ZINC000425364122 1012493149 /nfs/dbraw/zinc/49/31/49/1012493149.db2.gz FJJSHXSTEJOTET-CQSZACIVSA-N 0 3 305.381 3.632 20 30 DHEDHN C=CC[C@H](C)C(=O)N1CC2(CCN2C[C@@H](CC)CCCC)C1 ZINC001269960085 1012521697 /nfs/dbraw/zinc/52/16/97/1012521697.db2.gz LVPKHWCVDVIIDC-IRXDYDNUSA-N 0 3 306.494 3.702 20 30 DHEDHN COc1ccc([C@H](C/N=C\c2ccccc2O)N2CCCC2)cc1 ZINC000255007257 1012748512 /nfs/dbraw/zinc/74/85/12/1012748512.db2.gz QHKVORRBGKUSPP-BJLUOBIUSA-N 0 3 324.424 3.657 20 30 DHEDHN C=CCC[C@H](NCC(=O)N1CCC(C)CC1)c1ccccc1 ZINC000180037377 1017355797 /nfs/dbraw/zinc/35/57/97/1017355797.db2.gz NNQDJEGBJBQRKW-SFHVURJKSA-N 0 3 300.446 3.542 20 30 DHEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000180044108 1017360433 /nfs/dbraw/zinc/36/04/33/1017360433.db2.gz BPYVECYJJJFPOI-LJQANCHMSA-N 0 3 319.408 3.794 20 30 DHEDHN N#Cc1cc(NC(=O)c2cccc(CN3CCCC3)c2)ccc1F ZINC000076880930 1017425537 /nfs/dbraw/zinc/42/55/37/1017425537.db2.gz CZNZKCAWGIGJNH-UHFFFAOYSA-N 0 3 323.371 3.545 20 30 DHEDHN CCOC(=O)C1(N(C)CCCCC(C)(C)C#N)CCCCC1 ZINC000444659421 1017610221 /nfs/dbraw/zinc/61/02/21/1017610221.db2.gz PMNFFECGAQLDPC-UHFFFAOYSA-N 0 3 308.466 3.904 20 30 DHEDHN C=CC[C@H]1N(Cc2nccc(OC)c2OC)CCCC1(C)C ZINC000444794876 1017682544 /nfs/dbraw/zinc/68/25/44/1017682544.db2.gz WVGUYSSCEMBMBH-MRXNPFEDSA-N 0 3 304.434 3.666 20 30 DHEDHN C#CC[C@H]1CCCN(Cc2cncc(OCc3ccccc3)c2)C1 ZINC001171490508 1032733609 /nfs/dbraw/zinc/73/36/09/1032733609.db2.gz PAWLWNASAQXESQ-SFHVURJKSA-N 0 3 320.436 3.896 20 30 DHEDHN C=C(C)COc1cc(CN2CCC(OCC)CC2)ccc1OC ZINC000091679784 1017984259 /nfs/dbraw/zinc/98/42/59/1017984259.db2.gz PECZZOMIPDAABW-UHFFFAOYSA-N 0 3 319.445 3.651 20 30 DHEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1-n1cccn1 ZINC000183142490 1017997257 /nfs/dbraw/zinc/99/72/57/1017997257.db2.gz IKKLQQMVEZBAIJ-MRXNPFEDSA-N 0 3 319.383 3.714 20 30 DHEDHN C=C[C@@H](CC)CC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001626102690 1018031816 /nfs/dbraw/zinc/03/18/16/1018031816.db2.gz QNOKIUAKJPRGSI-PKOBYXMFSA-N 0 3 314.473 3.850 20 30 DHEDHN COC(=O)c1cc(C#N)cc(Nc2ccnc(C(C)(C)C)c2)c1 ZINC001213168276 1018343474 /nfs/dbraw/zinc/34/34/74/1018343474.db2.gz CESQONIIYPDIHU-UHFFFAOYSA-N 0 3 309.369 3.781 20 30 DHEDHN CSc1ccc(OCCN(C)Cc2cccc(C#N)c2)cc1 ZINC000441240970 1018367103 /nfs/dbraw/zinc/36/71/03/1018367103.db2.gz CPQNQIHONFDMNX-UHFFFAOYSA-N 0 3 312.438 3.791 20 30 DHEDHN CCCN(CCC#N)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168661678 1018757468 /nfs/dbraw/zinc/75/74/68/1018757468.db2.gz LELAZNQDAVMTJZ-AEFFLSMTSA-N 0 3 302.418 3.541 20 30 DHEDHN CC1CCC(N(C)CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000072701716 1018772333 /nfs/dbraw/zinc/77/23/33/1018772333.db2.gz WLRKNZNTGHRYBV-UHFFFAOYSA-N 0 3 319.836 3.661 20 30 DHEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000672464222 1019237675 /nfs/dbraw/zinc/23/76/75/1019237675.db2.gz ZYKNOSVNXILFMJ-BBRMVZONSA-N 0 3 323.868 3.597 20 30 DHEDHN COc1ccc(NC(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000338624122 1019359059 /nfs/dbraw/zinc/35/90/59/1019359059.db2.gz DVSQCNVQPIGRBS-ZDUSSCGKSA-N 0 3 323.377 3.551 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2c3ccccc3CC23CCOCC3)s1 ZINC000289885547 1019396542 /nfs/dbraw/zinc/39/65/42/1019396542.db2.gz SHZXYKPLNWTWIL-GOSISDBHSA-N 0 3 324.449 3.804 20 30 DHEDHN CC(=O)Nc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390686 1019465967 /nfs/dbraw/zinc/46/59/67/1019465967.db2.gz OLOPTWBAGGLCEP-HXUWFJFHSA-N 0 3 319.408 3.684 20 30 DHEDHN C[C@@H](NCc1ccnc(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000611402477 1019471534 /nfs/dbraw/zinc/47/15/34/1019471534.db2.gz BHJYGXVJLDGYBV-OAHLLOKOSA-N 0 3 314.392 3.866 20 30 DHEDHN CC[C@@]1(CNCc2csc(C#N)c2)OCCc2ccccc21 ZINC000922135583 1019503064 /nfs/dbraw/zinc/50/30/64/1019503064.db2.gz RMOAVFHJEYBOBV-SFHVURJKSA-N 0 3 312.438 3.588 20 30 DHEDHN C[C@H](CCCC(C)(C)O)Nc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001168704331 1019616795 /nfs/dbraw/zinc/61/67/95/1019616795.db2.gz BYNXURFISABNQH-GNUZOCDUSA-N 0 3 316.449 3.521 20 30 DHEDHN N#Cc1ccc(CCNc2cc(CN3CCCCC3)ccn2)cc1 ZINC001167676701 1019713940 /nfs/dbraw/zinc/71/39/40/1019713940.db2.gz FJKQAQDQFLASLF-UHFFFAOYSA-N 0 3 320.440 3.594 20 30 DHEDHN C#CC[C@H](COC)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000858335505 1032851144 /nfs/dbraw/zinc/85/11/44/1032851144.db2.gz VVCGHQIKGFMJLZ-CQSZACIVSA-N 0 3 320.845 3.591 20 30 DHEDHN C=C(C)COc1cc(CN2CCC[C@H](OCC)C2)ccc1OC ZINC000155469192 1019819645 /nfs/dbraw/zinc/81/96/45/1019819645.db2.gz JNDSGODMKRMSNA-KRWDZBQOSA-N 0 3 319.445 3.651 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnn(CC2CCC2)c1 ZINC000922191821 1019820231 /nfs/dbraw/zinc/82/02/31/1019820231.db2.gz XIHMWHHRBOBGHU-HXUWFJFHSA-N 0 3 320.440 3.722 20 30 DHEDHN CC(C)(NCc1ccc2c(c1)CCCO2)c1cccc(C#N)c1 ZINC000922239698 1019914270 /nfs/dbraw/zinc/91/42/70/1019914270.db2.gz VYBUOKCKOWFYCC-UHFFFAOYSA-N 0 3 306.409 3.908 20 30 DHEDHN N#Cc1ccc(Br)c(CNCCCc2ccco2)c1 ZINC000922263539 1019943546 /nfs/dbraw/zinc/94/35/46/1019943546.db2.gz ZORKSGMBIFINRR-UHFFFAOYSA-N 0 3 319.202 3.636 20 30 DHEDHN C=CCN1CCC(NC(=O)NCCCCCCC(C)C)CC1 ZINC000730112123 1019949964 /nfs/dbraw/zinc/94/99/64/1019949964.db2.gz VSYZBTFXZWCXRM-UHFFFAOYSA-N 0 3 309.498 3.543 20 30 DHEDHN CN(Cc1cc(C#N)cs1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000093511388 1020157081 /nfs/dbraw/zinc/15/70/81/1020157081.db2.gz HMKLSIYIHCXWGD-QGZVFWFLSA-N 0 3 311.454 3.721 20 30 DHEDHN Cc1ccc(CCN(Cc2ccc(C#N)o2)C[C@@H]2CCCO2)cc1 ZINC000093668565 1020163598 /nfs/dbraw/zinc/16/35/98/1020163598.db2.gz YPYXGONTXBWASO-IBGZPJMESA-N 0 3 324.424 3.683 20 30 DHEDHN COc1ccc([C@H]2CCN(Cc3cc(C#N)ccc3F)C2)cc1 ZINC000155253950 1020206074 /nfs/dbraw/zinc/20/60/74/1020206074.db2.gz XEGLHGUCWWJJPA-INIZCTEOSA-N 0 3 310.372 3.695 20 30 DHEDHN C(#Cc1ccccc1)CNC[C@@H](c1cccs1)N1CCCC1 ZINC000892424603 1020206918 /nfs/dbraw/zinc/20/69/18/1020206918.db2.gz GBJLXECPPKVXOQ-SFHVURJKSA-N 0 3 310.466 3.526 20 30 DHEDHN N#CC(C(=O)c1ccc2c(c1)CCC2)c1nc(C2CC2)cs1 ZINC000647371905 1020218893 /nfs/dbraw/zinc/21/88/93/1020218893.db2.gz AEVPLHZQMJYSDB-HNNXBMFYSA-N 0 3 308.406 3.999 20 30 DHEDHN CCCCCCC[C@H](C)CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000732449143 1020240673 /nfs/dbraw/zinc/24/06/73/1020240673.db2.gz JAYPHEQGHRGGMD-WMZOPIPTSA-N 0 3 323.525 3.861 20 30 DHEDHN Cc1csc(C2(NCCCC3(C#N)CCOCC3)CCC2)n1 ZINC000619621174 1020251004 /nfs/dbraw/zinc/25/10/04/1020251004.db2.gz AHROYMUBBKKBIU-UHFFFAOYSA-N 0 3 319.474 3.521 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000179376228 1020331215 /nfs/dbraw/zinc/33/12/15/1020331215.db2.gz QTZACPFSDWQBKZ-KGLIPLIRSA-N 0 3 309.413 3.966 20 30 DHEDHN CC(C)[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1cnn(C)c1 ZINC000922891420 1020406858 /nfs/dbraw/zinc/40/68/58/1020406858.db2.gz VDVSVSWIKLUURU-SFHVURJKSA-N 0 3 310.445 3.708 20 30 DHEDHN CC[C@@](C)(O)CN(Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000188582748 1020599968 /nfs/dbraw/zinc/59/99/68/1020599968.db2.gz FNAYYWNLWZKFRE-GOSISDBHSA-N 0 3 314.454 3.783 20 30 DHEDHN CSCC[C@@H](C)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000736318439 1020806268 /nfs/dbraw/zinc/80/62/68/1020806268.db2.gz JEXMFBSLRAFMCM-GFCCVEGCSA-N 0 3 312.866 3.816 20 30 DHEDHN N#Cc1cccc(OCCCN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000173010619 1020895993 /nfs/dbraw/zinc/89/59/93/1020895993.db2.gz BKTFEUJYTGQWNM-AWEZNQCLSA-N 0 3 312.335 3.601 20 30 DHEDHN CC1(C)CC[C@@H](CC(=O)C(C#N)c2nc3ccccc3o2)OC1 ZINC000892553664 1020987695 /nfs/dbraw/zinc/98/76/95/1020987695.db2.gz RHUDAIUOJCDYDR-QWHCGFSZSA-N 0 3 312.369 3.599 20 30 DHEDHN Cc1sc(NC(=O)CN(C)[C@@H]2CCC[C@H](C)C2)c(C#N)c1C ZINC000177023674 1021192298 /nfs/dbraw/zinc/19/22/98/1021192298.db2.gz QNFKBZHLTPIKAL-SMDDNHRTSA-N 0 3 319.474 3.686 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743842588 1021369807 /nfs/dbraw/zinc/36/98/07/1021369807.db2.gz HRQIOXOWNFSQJJ-OAQYLSRUSA-N 0 3 320.436 3.897 20 30 DHEDHN N#CC1(c2ccc(CN[C@H](CCO)c3cccs3)cc2)CC1 ZINC000850154882 1021427740 /nfs/dbraw/zinc/42/77/40/1021427740.db2.gz GCEHHRNGLYZQBU-MRXNPFEDSA-N 0 3 312.438 3.517 20 30 DHEDHN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@H](C)S1 ZINC000092540617 1021442312 /nfs/dbraw/zinc/44/23/12/1021442312.db2.gz MELQRCJTIQRTOP-GASCZTMLSA-N 0 3 304.459 3.695 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3cccc(F)c3)nc21 ZINC000744161374 1021453824 /nfs/dbraw/zinc/45/38/24/1021453824.db2.gz TUKYODIXGQCBTG-DOMZBBRYSA-N 0 3 321.355 3.990 20 30 DHEDHN N#CC1(c2ccc(CN[C@@H]3C[C@H](O)c4ccccc43)cc2)CC1 ZINC000850372916 1021496281 /nfs/dbraw/zinc/49/62/81/1021496281.db2.gz BEQXKDOJGIMHMT-MOPGFXCFSA-N 0 3 304.393 3.510 20 30 DHEDHN CCOc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000618742706 1021501279 /nfs/dbraw/zinc/50/12/79/1021501279.db2.gz PURGPASDGBZVOP-GOSISDBHSA-N 0 3 322.408 3.743 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(-c2ccccc2)n[nH]1 ZINC000618741391 1021502357 /nfs/dbraw/zinc/50/23/57/1021502357.db2.gz FFLMMOAMHAUAOM-LJQANCHMSA-N 0 3 314.392 3.725 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cc2ccccc2[nH]c1=O ZINC000618742011 1021503714 /nfs/dbraw/zinc/50/37/14/1021503714.db2.gz OYWABDAKNFBQSR-LJQANCHMSA-N 0 3 315.376 3.589 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(-n2cccn2)cc1 ZINC000618743155 1021504512 /nfs/dbraw/zinc/50/45/12/1021504512.db2.gz YHZHZVNTDNATLM-HXUWFJFHSA-N 0 3 314.392 3.521 20 30 DHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(C(F)F)nc1 ZINC000850441932 1021535980 /nfs/dbraw/zinc/53/59/80/1021535980.db2.gz DXMPGPDNWFUUDS-GFCCVEGCSA-N 0 3 317.339 3.772 20 30 DHEDHN COc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1C ZINC000850577527 1021619116 /nfs/dbraw/zinc/61/91/16/1021619116.db2.gz FEXSEAFGYYJZFW-OAHLLOKOSA-N 0 3 310.397 3.757 20 30 DHEDHN N#CC(C(=O)CC[C@H]1CC1(Cl)Cl)c1nc2ccccc2[nH]1 ZINC000850738853 1021632194 /nfs/dbraw/zinc/63/21/94/1021632194.db2.gz QQQGZHLLKKYDJV-VHSXEESVSA-N 0 3 322.195 3.713 20 30 DHEDHN N#CC(C(=O)C1CC2(CC2(F)F)C1)c1ccc2ccccc2n1 ZINC000850741426 1021633552 /nfs/dbraw/zinc/63/35/52/1021633552.db2.gz KCHLDJSPLONAPY-UIORMTCPSA-N 0 3 312.319 3.846 20 30 DHEDHN Cc1ccc(CN2CCC(C)(C#N)CC2)c(-c2ccnn2C)c1 ZINC000338932265 1021771112 /nfs/dbraw/zinc/77/11/12/1021771112.db2.gz AKWYJTVTRBBHFO-UHFFFAOYSA-N 0 3 308.429 3.521 20 30 DHEDHN C=CCOc1ccc(CN2CCC(c3c[nH]nc3C)CC2)cc1 ZINC000556609426 1021793309 /nfs/dbraw/zinc/79/33/09/1021793309.db2.gz SRJCWZOHAGQKEB-UHFFFAOYSA-N 0 3 311.429 3.663 20 30 DHEDHN CCC(CC)CN(CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000338936071 1021854024 /nfs/dbraw/zinc/85/40/24/1021854024.db2.gz NKVNBBBXYGOBFA-UHFFFAOYSA-N 0 3 315.461 3.691 20 30 DHEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1cccc(CO)c1 ZINC000619754635 1021864335 /nfs/dbraw/zinc/86/43/35/1021864335.db2.gz GJFWNZNFQWOWEV-LBPRGKRZSA-N 0 3 300.789 3.555 20 30 DHEDHN CCOc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000728711832 1021881678 /nfs/dbraw/zinc/88/16/78/1021881678.db2.gz LZWPOIZJOKRUAY-OAHLLOKOSA-N 0 3 310.397 3.666 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2n[nH]cc2c1 ZINC000556919243 1021948116 /nfs/dbraw/zinc/94/81/16/1021948116.db2.gz DPLXOLMARQACPV-NEPJUHHUSA-N 0 3 308.360 3.985 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000153195128 1022005652 /nfs/dbraw/zinc/00/56/52/1022005652.db2.gz VLZCDSSIOFFYOY-APWZRJJASA-N 0 3 312.457 3.534 20 30 DHEDHN CCCCCCCCN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746472475 1022124157 /nfs/dbraw/zinc/12/41/57/1022124157.db2.gz QFVXNTXAIQOAMC-JKSUJKDBSA-N 0 3 303.512 3.635 20 30 DHEDHN COc1cccc(C2(NCc3ccc(OCC#N)cc3)CCC2)c1 ZINC000852694106 1022160519 /nfs/dbraw/zinc/16/05/19/1022160519.db2.gz OFKCYJYANLFPPI-UHFFFAOYSA-N 0 3 322.408 3.767 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\CCOc2ccccc2)c([O-])c1 ZINC000920944190 1022194255 /nfs/dbraw/zinc/19/42/55/1022194255.db2.gz JAKRTBTVUPURDV-HKWRFOASSA-N 0 3 312.413 3.736 20 30 DHEDHN C[C@]1(Br)C[C@@H]1CN[C@@H](CCC#N)c1ccccc1 ZINC000893195201 1022212959 /nfs/dbraw/zinc/21/29/59/1022212959.db2.gz VRMXMZCQNBLTOX-ILXRZTDVSA-N 0 3 307.235 3.795 20 30 DHEDHN CN(C)[C@H](CNCc1csc(C#N)c1)c1ccccc1Cl ZINC000921481409 1022265913 /nfs/dbraw/zinc/26/59/13/1022265913.db2.gz JDGXFVQYIMTZJR-MRXNPFEDSA-N 0 3 319.861 3.666 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000175054760 1022285925 /nfs/dbraw/zinc/28/59/25/1022285925.db2.gz LBWZSBAXBMLSKZ-HNNXBMFYSA-N 0 3 324.380 3.766 20 30 DHEDHN N#Cc1cccc(OCCN2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800995 1022354422 /nfs/dbraw/zinc/35/44/22/1022354422.db2.gz ZZCBXLYEZHLTAZ-IBGZPJMESA-N 0 3 324.449 3.727 20 30 DHEDHN C=CCCCN(C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000609916150 1022383817 /nfs/dbraw/zinc/38/38/17/1022383817.db2.gz DHAICNRXHNYNDP-LJQANCHMSA-N 0 3 320.285 3.999 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000237606387 1022459346 /nfs/dbraw/zinc/45/93/46/1022459346.db2.gz HYGKADIHCCEDSC-ZIAGYGMSSA-N 0 3 324.380 3.557 20 30 DHEDHN CCO[C@H]1C[C@H](NCc2cccc(C#N)c2F)C1(CC)CC ZINC001169582835 1022468739 /nfs/dbraw/zinc/46/87/39/1022468739.db2.gz UTFUVYOREAVONQ-HOTGVXAUSA-N 0 3 304.409 3.771 20 30 DHEDHN C#C[C@@H](C)N(C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001169845173 1022565331 /nfs/dbraw/zinc/56/53/31/1022565331.db2.gz SRVNMVGCWICDCQ-CQSZACIVSA-N 0 3 315.363 3.997 20 30 DHEDHN C=CCc1cc(CNCc2ccc(C)c(F)c2)cc(OC)c1O ZINC000113316498 1022626112 /nfs/dbraw/zinc/62/61/12/1022626112.db2.gz LWGFUGRPQQYDET-UHFFFAOYSA-N 0 3 315.388 3.867 20 30 DHEDHN CC[C@H](C#N)Oc1cc(CNCc2cccc(C)c2)ccc1OC ZINC000113348073 1022636472 /nfs/dbraw/zinc/63/64/72/1022636472.db2.gz FTXPZNTXBIAXRN-GOSISDBHSA-N 0 3 324.424 3.974 20 30 DHEDHN Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H](C)C(C)C)c1C ZINC000338975102 1022641977 /nfs/dbraw/zinc/64/19/77/1022641977.db2.gz YCKMMQYWIBDXCI-QGZVFWFLSA-N 0 3 315.461 3.526 20 30 DHEDHN COc1cc(F)c(CN[C@H](C)Cc2ccc(C#N)cc2)c(F)c1 ZINC001172303500 1033073947 /nfs/dbraw/zinc/07/39/47/1033073947.db2.gz YTVREKSOBPTHRM-GFCCVEGCSA-N 0 3 316.351 3.566 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(OC)cc2)c1 ZINC000113961159 1022765397 /nfs/dbraw/zinc/76/53/97/1022765397.db2.gz HVJJIPDSRLIEBP-KRWDZBQOSA-N 0 3 310.397 3.666 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000767689774 1022783352 /nfs/dbraw/zinc/78/33/52/1022783352.db2.gz OOJBELVCSVOIED-ZHTGWBIJSA-N 0 3 316.445 3.759 20 30 DHEDHN Cc1ccc([C@H](O)CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000767740679 1022796197 /nfs/dbraw/zinc/79/61/97/1022796197.db2.gz LQCTUXXZIZDRTC-OAQYLSRUSA-N 0 3 318.420 3.689 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(Br)s1 ZINC000695790051 1022865894 /nfs/dbraw/zinc/86/58/94/1022865894.db2.gz GFGSXZNOSKWLKY-SECBINFHSA-N 0 3 301.253 3.929 20 30 DHEDHN CN(C)c1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1F ZINC000768257602 1022932768 /nfs/dbraw/zinc/93/27/68/1022932768.db2.gz NTEGEJJUHSPVRX-UHFFFAOYSA-N 0 3 323.415 3.928 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000876571560 1033095778 /nfs/dbraw/zinc/09/57/78/1033095778.db2.gz MNZOVZNWQPILRL-ZIAGYGMSSA-N 0 3 315.244 3.623 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1c(F)cc(F)cc1F ZINC001172296555 1033101516 /nfs/dbraw/zinc/10/15/16/1033101516.db2.gz BCVRGKUYFLYJDY-LLVKDONJSA-N 0 3 304.315 3.696 20 30 DHEDHN C=CC[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000617785356 1023055163 /nfs/dbraw/zinc/05/51/63/1023055163.db2.gz JFWRATVLSCFMNK-KRWDZBQOSA-N 0 3 312.457 3.711 20 30 DHEDHN C#CCOc1ccccc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000769106390 1023085484 /nfs/dbraw/zinc/08/54/84/1023085484.db2.gz LKMGDGDDHLQAPS-IBGZPJMESA-N 0 3 307.393 3.741 20 30 DHEDHN N#Cc1ccc(CNCc2c[nH]nc2-c2c(F)cccc2F)cc1 ZINC000769384315 1023138167 /nfs/dbraw/zinc/13/81/67/1023138167.db2.gz KTRKIIPZKQNPQL-UHFFFAOYSA-N 0 3 324.334 3.516 20 30 DHEDHN C=C[C@@](C)(O)CN1CCC[C@H]1c1ccccc1Br ZINC001252541900 1033108564 /nfs/dbraw/zinc/10/85/64/1033108564.db2.gz VYPQBUSMYSXIOE-LSDHHAIUSA-N 0 3 310.235 3.523 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759864325 1023154904 /nfs/dbraw/zinc/15/49/04/1023154904.db2.gz HLMCHJZAXNYPRA-KRWDZBQOSA-N 0 3 323.795 3.836 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC000876671352 1033120480 /nfs/dbraw/zinc/12/04/80/1033120480.db2.gz MPCDOAIXLXIJAF-SJORKVTESA-N 0 3 320.864 3.909 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000876701786 1033124960 /nfs/dbraw/zinc/12/49/60/1033124960.db2.gz XVUBYWUMIJGPCH-LLVKDONJSA-N 0 3 320.742 3.590 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1C#N ZINC000093116400 1023449357 /nfs/dbraw/zinc/44/93/57/1023449357.db2.gz NQNWIPQNDVLZCK-GOSISDBHSA-N 0 3 310.372 3.873 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CCCc2ccccn2)c([O-])c1 ZINC000771837183 1023472901 /nfs/dbraw/zinc/47/29/01/1023472901.db2.gz UVMUQTXDWOEETO-HMMYKYKNSA-N 0 3 311.429 3.685 20 30 DHEDHN C=CCN(Cc1cc(Cl)cc2cccnc21)[C@@H](C)COC ZINC000661244881 1023539414 /nfs/dbraw/zinc/53/94/14/1023539414.db2.gz XCZPBMLGDQQKQK-ZDUSSCGKSA-N 0 3 304.821 3.911 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccco2)cc1 ZINC000772643754 1023580777 /nfs/dbraw/zinc/58/07/77/1023580777.db2.gz DZYQAALOJIGPPN-QGZVFWFLSA-N 0 3 324.380 3.512 20 30 DHEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000661379024 1023583420 /nfs/dbraw/zinc/58/34/20/1023583420.db2.gz QVXZCVTVVGZODK-DLBZAZTESA-N 0 3 300.446 3.919 20 30 DHEDHN C#CCCOc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000785613939 1023597987 /nfs/dbraw/zinc/59/79/87/1023597987.db2.gz GQFFEUKROUXZIN-NRFANRHFSA-N 0 3 316.404 3.737 20 30 DHEDHN C=CCC1(NCc2nc3cc(Cl)ccc3c(=O)[nH]2)CCCC1 ZINC000661865598 1023786550 /nfs/dbraw/zinc/78/65/50/1023786550.db2.gz RQVUQXYYWGKXJP-UHFFFAOYSA-N 0 3 317.820 3.967 20 30 DHEDHN Clc1ccc(C#CCN2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000661873198 1023791447 /nfs/dbraw/zinc/79/14/47/1023791447.db2.gz FNZOOKOLVVVAFJ-MJGOQNOKSA-N 0 3 317.860 3.973 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000662081305 1023887744 /nfs/dbraw/zinc/88/77/44/1023887744.db2.gz OHQAFSJGGRUTPY-CWRNSKLLSA-N 0 3 318.848 3.528 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000662081175 1023888100 /nfs/dbraw/zinc/88/81/00/1023888100.db2.gz UQJGECVHVXENPY-SOLBZPMBSA-N 0 3 314.429 3.595 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H](C)c1ccccc1Cl ZINC000662079782 1023890140 /nfs/dbraw/zinc/89/01/40/1023890140.db2.gz NCKREBGARHXTNG-KFWWJZLASA-N 0 3 318.848 3.700 20 30 DHEDHN C#CCn1ccc(CN(CC)c2c(C)cnc3c(C)cccc32)n1 ZINC000788565268 1023905672 /nfs/dbraw/zinc/90/56/72/1023905672.db2.gz HEPVTIJRQMHDNM-UHFFFAOYSA-N 0 3 318.424 3.708 20 30 DHEDHN N#Cc1ccc(CNc2ccncc2-c2ccccc2)cc1F ZINC001170095632 1023970413 /nfs/dbraw/zinc/97/04/13/1023970413.db2.gz KJMUQEBFMQOYIP-UHFFFAOYSA-N 0 3 303.340 3.793 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000268821382 1024168679 /nfs/dbraw/zinc/16/86/79/1024168679.db2.gz SCEMAXBCLKJFKC-DJEJFTSGSA-N 0 3 312.438 3.707 20 30 DHEDHN C=CCCC[C@@H](NCC1(S(=O)(=O)CC)CC1)c1ccccc1 ZINC000883237153 1024309911 /nfs/dbraw/zinc/30/99/11/1024309911.db2.gz TYTDVLANIJUPMW-QGZVFWFLSA-N 0 3 321.486 3.641 20 30 DHEDHN C=CCC[C@H](COc1ccccc1)N[C@@H](C)c1nccnc1C ZINC000883244700 1024314716 /nfs/dbraw/zinc/31/47/16/1024314716.db2.gz UPEMIPLWQJAWOA-DLBZAZTESA-N 0 3 311.429 3.849 20 30 DHEDHN C#CC[C@H](NCc1ccc(OCCOC)cc1)c1ccccc1 ZINC000270191105 1024364637 /nfs/dbraw/zinc/36/46/37/1024364637.db2.gz KYFHIDDDZWQKJE-FQEVSTJZSA-N 0 3 309.409 3.566 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC000131923456 1024442034 /nfs/dbraw/zinc/44/20/34/1024442034.db2.gz NUAIHXNEOWZVCL-AWEZNQCLSA-N 0 3 309.413 3.966 20 30 DHEDHN C=CCC1(C[NH2+][C@@H](c2cccs2)c2nnc[n-]2)CCCC1 ZINC000453382403 1024482408 /nfs/dbraw/zinc/48/24/08/1024482408.db2.gz RZSLVWUISWRQQF-AWEZNQCLSA-N 0 3 302.447 3.682 20 30 DHEDHN C=C(CN[C@H](C)c1cnc2cc(C)nn2c1C)c1ccccc1 ZINC000271627553 1024554400 /nfs/dbraw/zinc/55/44/00/1024554400.db2.gz ZMMKZNGQTIUTJQ-OAHLLOKOSA-N 0 3 306.413 3.710 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000274261982 1024566793 /nfs/dbraw/zinc/56/67/93/1024566793.db2.gz CHBMIJXONSLFMR-IEZWGBDMSA-N 0 3 312.457 3.732 20 30 DHEDHN Cc1nc(C)c([C@H](C)N(C)CCOc2cccc(C#N)c2)s1 ZINC000106875928 1024606031 /nfs/dbraw/zinc/60/60/31/1024606031.db2.gz FIDSBLMNLMGBGO-ZDUSSCGKSA-N 0 3 315.442 3.703 20 30 DHEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)c1nccc2ccccc21 ZINC000792106493 1024625938 /nfs/dbraw/zinc/62/59/38/1024625938.db2.gz RMYKVABLMPMKGV-RDJZCZTQSA-N 0 3 308.381 3.760 20 30 DHEDHN C=CCOc1ccccc1CN1CCC=C(c2ccncc2)C1 ZINC000348836607 1024628582 /nfs/dbraw/zinc/62/85/82/1024628582.db2.gz DTRLPBLUQIWZKP-UHFFFAOYSA-N 0 3 306.409 3.936 20 30 DHEDHN O[C@@H](c1ccccc1)[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000792246996 1024652891 /nfs/dbraw/zinc/65/28/91/1024652891.db2.gz UADJVUXKFZFQNX-RTWAWAEBSA-N 0 3 305.421 3.626 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)cc1F ZINC000792246432 1024653016 /nfs/dbraw/zinc/65/30/16/1024653016.db2.gz IIYWSGOOXDPKSI-VQTJNVASSA-N 0 3 324.399 3.785 20 30 DHEDHN N#Cc1c(Cl)cccc1CN(C1CCC1)C1CCOCC1 ZINC001139693185 1024762051 /nfs/dbraw/zinc/76/20/51/1024762051.db2.gz SIZUQHGCNZRBOL-UHFFFAOYSA-N 0 3 304.821 3.745 20 30 DHEDHN C[C@@H]1CCN(C2CCC(C#N)(c3ccccc3)CC2)CCC1=O ZINC001170378919 1024766237 /nfs/dbraw/zinc/76/62/37/1024766237.db2.gz NQVGFLLBXBTILO-PPDQVPDSSA-N 0 3 310.441 3.692 20 30 DHEDHN N#Cc1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000349970865 1024775182 /nfs/dbraw/zinc/77/51/82/1024775182.db2.gz JCFWNPXEQXUKLL-UHFFFAOYSA-N 0 3 314.392 3.724 20 30 DHEDHN C[C@H](CCCC#N)N1CCN(Cc2ccccc2Cl)CC1 ZINC001172506793 1033235580 /nfs/dbraw/zinc/23/55/80/1033235580.db2.gz JLXMHWKURCABFV-OAHLLOKOSA-N 0 3 305.853 3.540 20 30 DHEDHN C[C@H](CCCC#N)N1CCN(c2nc3ccccc3s2)CC1 ZINC001172507807 1033236972 /nfs/dbraw/zinc/23/69/72/1033236972.db2.gz YRGBCKZSJBODFX-CQSZACIVSA-N 0 3 314.458 3.501 20 30 DHEDHN CCCn1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000350661704 1024837701 /nfs/dbraw/zinc/83/77/01/1024837701.db2.gz SCXSUBVEAJTCJT-UHFFFAOYSA-N 0 3 310.445 3.823 20 30 DHEDHN C[C@@H](CCC#N)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000350733140 1024848346 /nfs/dbraw/zinc/84/83/46/1024848346.db2.gz XQVFZXONWRFXQD-HOCLYGCPSA-N 0 3 315.465 3.724 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccccc1-n1cccn1)CC2 ZINC000353266107 1025008083 /nfs/dbraw/zinc/00/80/83/1025008083.db2.gz JALAJLMPJYWGIU-LJQANCHMSA-N 0 3 314.392 3.521 20 30 DHEDHN CC[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1c(C)nn(C)c1C ZINC000353266983 1025008162 /nfs/dbraw/zinc/00/81/62/1025008162.db2.gz KHYIYTWRGQGVKX-MSOLQXFVSA-N 0 3 308.429 3.637 20 30 DHEDHN CCOCc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000353382596 1025047735 /nfs/dbraw/zinc/04/77/35/1025047735.db2.gz HYWVMRLHRVVVNC-FQEVSTJZSA-N 0 3 306.409 3.872 20 30 DHEDHN C#CCOc1ccccc1CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000793611828 1025129935 /nfs/dbraw/zinc/12/99/35/1025129935.db2.gz HKUTYBBNHJPKGK-JKSUJKDBSA-N 0 3 324.251 3.714 20 30 DHEDHN CC[C@@H](Cc1ccc2c(c1)OCO2)N(CCC#N)C1CCCC1 ZINC001170442247 1025220810 /nfs/dbraw/zinc/22/08/10/1025220810.db2.gz KLBWXMSARFQKEA-INIZCTEOSA-N 0 3 314.429 3.895 20 30 DHEDHN Cc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000032791702 1025363123 /nfs/dbraw/zinc/36/31/23/1025363123.db2.gz XYGJZBPOQGVNAB-CABCVRRESA-N 0 3 307.397 3.545 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(-n3cccc3)cc2)n1 ZINC000041518913 1025408865 /nfs/dbraw/zinc/40/88/65/1025408865.db2.gz HXVSZOAHTMEFSJ-HNNXBMFYSA-N 0 3 307.378 3.732 20 30 DHEDHN N#CC1(C[C@H](O)CN2CCC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000885937899 1025412704 /nfs/dbraw/zinc/41/27/04/1025412704.db2.gz MKDORPFJLCRKAZ-IRXDYDNUSA-N 0 3 318.848 3.922 20 30 DHEDHN C[C@H](c1ccccc1Cl)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000885960861 1025419839 /nfs/dbraw/zinc/41/98/39/1025419839.db2.gz QQCOVOIVBDCYGO-ZIAGYGMSSA-N 0 3 306.837 3.778 20 30 DHEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2ccccc2Cl)CCC1 ZINC000885961060 1025420130 /nfs/dbraw/zinc/42/01/30/1025420130.db2.gz TZJSAAGVXRRBRJ-RHSMWYFYSA-N 0 3 318.848 3.922 20 30 DHEDHN N#CC1(C[C@H](O)CN2CCCC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000886033536 1025445341 /nfs/dbraw/zinc/44/53/41/1025445341.db2.gz WOXKOIRBJMTXBF-ZWKOTPCHSA-N 0 3 316.420 3.798 20 30 DHEDHN CC(C)(NC[C@H](O)CC1(C#N)CCC1)c1cccc(Cl)c1F ZINC000886140536 1025526007 /nfs/dbraw/zinc/52/60/07/1025526007.db2.gz JQJPQDUSBHBXRW-GFCCVEGCSA-N 0 3 324.827 3.749 20 30 DHEDHN C#CC[C@H]1CCN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000886358464 1025602879 /nfs/dbraw/zinc/60/28/79/1025602879.db2.gz VFQZFJVJATUIIP-STQMWFEESA-N 0 3 315.804 3.796 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C)c2Cl)CC1 ZINC000072581725 1025755908 /nfs/dbraw/zinc/75/59/08/1025755908.db2.gz FFZHGPDFCKICRE-UHFFFAOYSA-N 0 3 321.852 3.810 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159966 1025779359 /nfs/dbraw/zinc/77/93/59/1025779359.db2.gz IETJZEMDNWZGED-UHFFFAOYSA-N 0 3 303.409 3.991 20 30 DHEDHN CSc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1C#N ZINC000886690441 1025794429 /nfs/dbraw/zinc/79/44/29/1025794429.db2.gz WKRKTXKGWIYGQG-GOSISDBHSA-N 0 3 319.433 3.929 20 30 DHEDHN C#CC[C@H](N[C@H](C)c1cccc(-n2ccnn2)c1)c1ccccc1 ZINC000806149655 1025807374 /nfs/dbraw/zinc/80/73/74/1025807374.db2.gz WATXUSHADOLAOJ-UZLBHIALSA-N 0 3 316.408 3.683 20 30 DHEDHN CC(C)(C)CC(C)(C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075712588 1025847484 /nfs/dbraw/zinc/84/74/84/1025847484.db2.gz OEWDVSZUHLPEFP-UHFFFAOYSA-N 0 3 312.417 3.913 20 30 DHEDHN C#CCN1CCC(C(=O)Nc2ccccc2-c2cccs2)CC1 ZINC000067144133 1025850839 /nfs/dbraw/zinc/85/08/39/1025850839.db2.gz SNQOWDQGBHVIBF-UHFFFAOYSA-N 0 3 324.449 3.699 20 30 DHEDHN C=CCCC1(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000356253658 1025996794 /nfs/dbraw/zinc/99/67/94/1025996794.db2.gz LFHGBWBUSBDOKL-NVXWUHKLSA-N 0 3 300.446 3.540 20 30 DHEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C(=O)N(C)C)c1ccccc1 ZINC000419336172 1026178754 /nfs/dbraw/zinc/17/87/54/1026178754.db2.gz XASKUIWHYZUJFT-PMACEKPBSA-N 0 3 322.452 3.593 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000533064452 1026200272 /nfs/dbraw/zinc/20/02/72/1026200272.db2.gz PIYNBDPIIAOWPE-FQEVSTJZSA-N 0 3 312.457 3.708 20 30 DHEDHN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)c(C)c1OC ZINC000808411425 1026282995 /nfs/dbraw/zinc/28/29/95/1026282995.db2.gz YPRFWJPUERFIRL-GOSISDBHSA-N 0 3 322.408 3.661 20 30 DHEDHN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000614397202 1026292534 /nfs/dbraw/zinc/29/25/34/1026292534.db2.gz AUWNYSDQSLUKTC-SFHVURJKSA-N 0 3 320.392 3.933 20 30 DHEDHN Cc1cc(C#N)ccc1CN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000614405931 1026299989 /nfs/dbraw/zinc/29/99/89/1026299989.db2.gz JIVGQDVQKSHRBX-IBGZPJMESA-N 0 3 310.372 3.659 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCCN(c2ccccc2F)CC1 ZINC000513371304 1026489890 /nfs/dbraw/zinc/48/98/90/1026489890.db2.gz NPOBURTYWVDJLZ-MRXNPFEDSA-N 0 3 323.415 3.971 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCCN(c2ccccc2F)CC1 ZINC000513401367 1026495217 /nfs/dbraw/zinc/49/52/17/1026495217.db2.gz LYTQAQMFJUJBHG-MRXNPFEDSA-N 0 3 323.415 3.971 20 30 DHEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)c1ccc2n[nH]cc2c1 ZINC000513405221 1026497685 /nfs/dbraw/zinc/49/76/85/1026497685.db2.gz FOAJUTIJQYUJIQ-CYBMUJFWSA-N 0 3 309.800 3.919 20 30 DHEDHN C#Cc1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000809559078 1026550866 /nfs/dbraw/zinc/55/08/66/1026550866.db2.gz YVHWEJPBYDPSRR-UHFFFAOYSA-N 0 3 309.384 3.850 20 30 DHEDHN C=CCOCCN[C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000679576949 1026683169 /nfs/dbraw/zinc/68/31/69/1026683169.db2.gz ZDOMDIVUIHWWBU-CYBMUJFWSA-N 0 3 316.228 3.999 20 30 DHEDHN Cc1nc2c(s1)[C@H](N[C@@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000810235712 1026716342 /nfs/dbraw/zinc/71/63/42/1026716342.db2.gz UKJSLYXVJDXKSO-NVXWUHKLSA-N 0 3 309.438 3.978 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(C#N)cc2)s1 ZINC000419842745 1026766825 /nfs/dbraw/zinc/76/68/25/1026766825.db2.gz WMRUQBDMTXIYLS-ZDUSSCGKSA-N 0 3 324.409 3.558 20 30 DHEDHN C=CCOc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000414488626 1026912882 /nfs/dbraw/zinc/91/28/82/1026912882.db2.gz RJBMTSTZMQQPIG-QUCCMNQESA-N 0 3 309.409 3.559 20 30 DHEDHN N#CCCCNCc1cc(Br)cc(C(F)(F)F)c1 ZINC000273026242 1027237248 /nfs/dbraw/zinc/23/72/48/1027237248.db2.gz FKGPWWTYBASQNL-UHFFFAOYSA-N 0 3 321.140 3.861 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cc3c(cccc3C)o2)CC1 ZINC000932142426 1027381910 /nfs/dbraw/zinc/38/19/10/1027381910.db2.gz CAPQDGACRPXYMA-UHFFFAOYSA-N 0 3 312.413 3.512 20 30 DHEDHN C#C[C@H](N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(F)cc1 ZINC000812792591 1027400514 /nfs/dbraw/zinc/40/05/14/1027400514.db2.gz DWOAUUIBVYDAEO-DQLDELGASA-N 0 3 322.427 3.925 20 30 DHEDHN C#C[C@H](N[C@@H]1CCN([C@H](C)c2ccccc2)C1)c1ccc(F)cc1 ZINC000812792594 1027401829 /nfs/dbraw/zinc/40/18/29/1027401829.db2.gz DWOAUUIBVYDAEO-HBGVWJBISA-N 0 3 322.427 3.925 20 30 DHEDHN CCN(Cc1cc(C#N)ccc1OC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849792 1027445936 /nfs/dbraw/zinc/44/59/36/1027445936.db2.gz JPHFFJRGEPYOOG-YWZLYKJASA-N 0 3 324.424 3.511 20 30 DHEDHN N#Cc1ccc(C2CCN(C[C@@H](O)c3cccc(F)c3)CC2)cc1 ZINC000933614076 1027778069 /nfs/dbraw/zinc/77/80/69/1027778069.db2.gz KLVSOOFMKRCEFL-HXUWFJFHSA-N 0 3 324.399 3.610 20 30 DHEDHN C=CCCC[C@H](C)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000778229866 1027937577 /nfs/dbraw/zinc/93/75/77/1027937577.db2.gz AHVCPSHINJYCOA-AWEZNQCLSA-N 0 3 309.400 3.993 20 30 DHEDHN COc1cc(CNCc2ccc(CC#N)cc2)ccc1OC(C)C ZINC000577952162 1028002983 /nfs/dbraw/zinc/00/29/83/1028002983.db2.gz UVDQDYVRJITLKQ-UHFFFAOYSA-N 0 3 324.424 3.838 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N(C)Cc1ccco1)c1ccccc1 ZINC000299054660 1028004587 /nfs/dbraw/zinc/00/45/87/1028004587.db2.gz SFRYQCUDXHWNNV-GOSISDBHSA-N 0 3 312.413 3.535 20 30 DHEDHN C=C(CNCc1ccc(OC)c(OC)c1OC)c1ccccc1 ZINC000299362285 1028042574 /nfs/dbraw/zinc/04/25/74/1028042574.db2.gz VVEYTDQQAJFZKT-UHFFFAOYSA-N 0 3 313.397 3.515 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCc2ncccc21 ZINC000601280922 1028058034 /nfs/dbraw/zinc/05/80/34/1028058034.db2.gz JOXNGDVUIWWMBQ-PMACEKPBSA-N 0 3 303.409 3.998 20 30 DHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2[nH]c(=O)oc2c1 ZINC000601305405 1028070522 /nfs/dbraw/zinc/07/05/22/1028070522.db2.gz VDQWABKYDPVVSV-MEDUHNTESA-N 0 3 319.364 3.743 20 30 DHEDHN C=CCCCNCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000578425798 1028148107 /nfs/dbraw/zinc/14/81/07/1028148107.db2.gz JVMBDTLTTBGEHD-UHFFFAOYSA-N 0 3 320.234 3.895 20 30 DHEDHN CC[C@H]1CC[C@@H](C)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000367579136 1028207666 /nfs/dbraw/zinc/20/76/66/1028207666.db2.gz XRZLJSRGHGERTO-KGLIPLIRSA-N 0 3 310.401 3.619 20 30 DHEDHN CC1(C#N)CCC(NCc2coc(-c3cccs3)n2)CC1 ZINC000449101099 1028350855 /nfs/dbraw/zinc/35/08/55/1028350855.db2.gz TZKILAIZMYXVOA-UHFFFAOYSA-N 0 3 301.415 3.965 20 30 DHEDHN C[C@H](NC[C@@H](O)c1cc2ccccc2o1)c1ccc(C#N)cc1 ZINC000815081517 1028354036 /nfs/dbraw/zinc/35/40/36/1028354036.db2.gz HEYFDKVMGWMBIG-SUMWQHHRSA-N 0 3 306.365 3.689 20 30 DHEDHN COc1cc(CN2CCC(CCC#N)CC2)ccc1OC(C)C ZINC000564990137 1028525402 /nfs/dbraw/zinc/52/54/02/1028525402.db2.gz DBMPUAGYAFLQRU-UHFFFAOYSA-N 0 3 316.445 3.998 20 30 DHEDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565046475 1028531880 /nfs/dbraw/zinc/53/18/80/1028531880.db2.gz LCONUJGXIOEFAK-LSDHHAIUSA-N 0 3 319.430 3.572 20 30 DHEDHN C=CCCCC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000370067525 1028560737 /nfs/dbraw/zinc/56/07/37/1028560737.db2.gz ZKEDGZOXXLUEIT-MAUKXSAKSA-N 0 3 320.864 3.805 20 30 DHEDHN CSCCN[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370327616 1028591809 /nfs/dbraw/zinc/59/18/09/1028591809.db2.gz RUYPXTOFXVTZMT-LLVKDONJSA-N 0 3 303.456 3.695 20 30 DHEDHN COc1cccc([C@@H]2CN(Cc3ccnc(C#N)c3)CC2(C)C)c1 ZINC000528626919 1028617863 /nfs/dbraw/zinc/61/78/63/1028617863.db2.gz SOSSBGXDIKXXBO-IBGZPJMESA-N 0 3 321.424 3.587 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC2CCC1CC2 ZINC000815898303 1028649685 /nfs/dbraw/zinc/64/96/85/1028649685.db2.gz YSAOTCJSSZRGNU-NEXFUWMNSA-N 0 3 307.397 3.576 20 30 DHEDHN Cn1cc(CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)cc1C#N ZINC000449449657 1028651083 /nfs/dbraw/zinc/65/10/83/1028651083.db2.gz MGJAHYWZFCKSSQ-QGZVFWFLSA-N 0 3 317.795 3.930 20 30 DHEDHN COCC1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)CC1 ZINC000779194487 1028685231 /nfs/dbraw/zinc/68/52/31/1028685231.db2.gz MPGCIRXSSFSKNB-JTQLQIEISA-N 0 3 320.801 3.553 20 30 DHEDHN N#CCCCOc1cccc(CN2CCSC[C@@H]2C2CC2)c1 ZINC000449529291 1028740852 /nfs/dbraw/zinc/74/08/52/1028740852.db2.gz WDCMOGOOJXWEHY-GOSISDBHSA-N 0 3 316.470 3.697 20 30 DHEDHN N#CC(C(=O)C[C@H]1C=CCC1)c1nc2ccccc2n1C(F)F ZINC000041558115 1028751802 /nfs/dbraw/zinc/75/18/02/1028751802.db2.gz FIJFCIUQSGGRMJ-RYUDHWBXSA-N 0 3 315.323 3.964 20 30 DHEDHN C[C@@H]1C[C@@H](c2ccsc2)CN1Cc1cnc2ccc(C#N)cn12 ZINC000372405885 1028851748 /nfs/dbraw/zinc/85/17/48/1028851748.db2.gz ZRLBPAXUSPXXOH-CZUORRHYSA-N 0 3 322.437 3.645 20 30 DHEDHN N#CC(C(=O)CC1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 ZINC000528906493 1028914728 /nfs/dbraw/zinc/91/47/28/1028914728.db2.gz CNCKUHMPTYESFJ-OAHLLOKOSA-N 0 3 315.376 3.861 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cocc2C)cc1 ZINC000528921352 1028931805 /nfs/dbraw/zinc/93/18/05/1028931805.db2.gz UGFIGAPHCXZPRA-INIZCTEOSA-N 0 3 324.380 3.892 20 30 DHEDHN CC[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)N(CC)CC ZINC000778600040 1028934832 /nfs/dbraw/zinc/93/48/32/1028934832.db2.gz WDHGOPWRTNVBFV-JSGCOSHPSA-N 0 3 315.442 3.593 20 30 DHEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000007018737 1029033639 /nfs/dbraw/zinc/03/36/39/1029033639.db2.gz ZSPJXYISTHOXMH-YWZLYKJASA-N 0 3 323.440 3.545 20 30 DHEDHN C=CCC[C@H](NCc1nnc(-c2ccncc2F)s1)C1CC1 ZINC000373561621 1029079576 /nfs/dbraw/zinc/07/95/76/1029079576.db2.gz NHZXYDMTXDLXQR-AWEZNQCLSA-N 0 3 318.421 3.574 20 30 DHEDHN C[C@H](CCC#N)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000411325140 1029102557 /nfs/dbraw/zinc/10/25/57/1029102557.db2.gz NQCFRMNWXMDLBK-ZIAGYGMSSA-N 0 3 303.475 3.894 20 30 DHEDHN COC[C@H](NCCC1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000411481085 1029140069 /nfs/dbraw/zinc/14/00/69/1029140069.db2.gz ZEMLGOQMGHLAKJ-KRWDZBQOSA-N 0 3 304.409 3.967 20 30 DHEDHN N#CCCCCN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000817578012 1029204555 /nfs/dbraw/zinc/20/45/55/1029204555.db2.gz QCTTUGINGQHNLW-LLVKDONJSA-N 0 3 314.252 3.640 20 30 DHEDHN C#CCN(Cc1cccc(SC(=O)N(C)C)c1)C1CCCC1 ZINC000155751271 1029294023 /nfs/dbraw/zinc/29/40/23/1029294023.db2.gz UIJYEFKOFOUHBU-UHFFFAOYSA-N 0 3 316.470 3.838 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450297995 1029333106 /nfs/dbraw/zinc/33/31/06/1029333106.db2.gz KXIORZUNGGHQMG-UTKZUKDTSA-N 0 3 320.436 3.711 20 30 DHEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)Cc1ccccc1 ZINC000450718373 1029618395 /nfs/dbraw/zinc/61/83/95/1029618395.db2.gz NHBAKTSGRMZJCB-PBHICJAKSA-N 0 3 312.388 3.606 20 30 DHEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2Cl)C12CCC2 ZINC000451481521 1029880483 /nfs/dbraw/zinc/88/04/83/1029880483.db2.gz RKEXGLYICPWVEJ-HZPDHXFCSA-N 0 3 304.821 3.649 20 30 DHEDHN CCOc1cc(F)cc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000865546478 1029911435 /nfs/dbraw/zinc/91/14/35/1029911435.db2.gz VIUKFIAOVMIGKS-LJQANCHMSA-N 0 3 310.372 3.873 20 30 DHEDHN CCN(CC)[C@H](CNc1ncc(C#N)cc1F)c1ccsc1 ZINC000413057536 1029920844 /nfs/dbraw/zinc/92/08/44/1029920844.db2.gz YCZBSZPJCOBXJF-OAHLLOKOSA-N 0 3 318.421 3.649 20 30 DHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](C)CC1 ZINC000357393817 1030029912 /nfs/dbraw/zinc/02/99/12/1030029912.db2.gz XPXQNIXIJXERAC-STQMWFEESA-N 0 3 319.836 3.661 20 30 DHEDHN CN1CCC[C@@H](NCc2ccc(C#N)c(F)c2)c2ccccc21 ZINC000451864057 1030032244 /nfs/dbraw/zinc/03/22/44/1030032244.db2.gz GRCGZAGDDFYOOQ-GOSISDBHSA-N 0 3 309.388 3.758 20 30 DHEDHN C[C@@H](NCc1cccc2c1CCOC2)c1ccc(OCC#N)cc1 ZINC000866478664 1030314101 /nfs/dbraw/zinc/31/41/01/1030314101.db2.gz KAVKNQQODFENJQ-OAHLLOKOSA-N 0 3 322.408 3.512 20 30 DHEDHN CC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cccc(OC)c1OC ZINC000866509455 1030332490 /nfs/dbraw/zinc/33/24/90/1030332490.db2.gz YQNBTIFFIFSZEJ-YCPHGPKFSA-N 0 3 302.418 3.827 20 30 DHEDHN CCC[N@H+](Cc1ccccc1[O-])Cc1ccc(C#N)cc1OC ZINC000121093438 1030335498 /nfs/dbraw/zinc/33/54/98/1030335498.db2.gz TZARNKVXJDCARP-UHFFFAOYSA-N 0 3 310.397 3.685 20 30 DHEDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1ccc(C#N)cc1OC ZINC000121093438 1030335513 /nfs/dbraw/zinc/33/55/13/1030335513.db2.gz TZARNKVXJDCARP-UHFFFAOYSA-N 0 3 310.397 3.685 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)c1c(F)cccc1F ZINC000823617754 1030341660 /nfs/dbraw/zinc/34/16/60/1030341660.db2.gz MFJVEABHPLEVEH-SJCJKPOMSA-N 0 3 316.351 3.563 20 30 DHEDHN C[C@@H](CN(CC#Cc1ccccc1)[C@@H](C)CO)c1ccccc1 ZINC000558146768 1030437619 /nfs/dbraw/zinc/43/76/19/1030437619.db2.gz UBUOPTGDITXVEL-OALUTQOASA-N 0 3 307.437 3.525 20 30 DHEDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(OCC#N)cc3)cccc21 ZINC001212611254 1030556364 /nfs/dbraw/zinc/55/63/64/1030556364.db2.gz NJSBOFXLTNXPAV-GOSISDBHSA-N 0 3 323.396 3.718 20 30 DHEDHN C=CCCCCN[C@@H](C)c1nc(Br)ccc1F ZINC000788753348 1030622454 /nfs/dbraw/zinc/62/24/54/1030622454.db2.gz JHICMKDNNALGPW-JTQLQIEISA-N 0 3 301.203 3.990 20 30 DHEDHN Cc1noc(C[C@H](N[C@@H](C)CC(C)(C)C#N)c2ccccc2)n1 ZINC000926285776 1030687811 /nfs/dbraw/zinc/68/78/11/1030687811.db2.gz VMPXMQVEDCDFNO-BBRMVZONSA-N 0 3 312.417 3.580 20 30 DHEDHN C#Cc1cccc(CNCc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000825227105 1030751680 /nfs/dbraw/zinc/75/16/80/1030751680.db2.gz QFXSWRZDYJHNML-NRFANRHFSA-N 0 3 321.420 3.516 20 30 DHEDHN C#Cc1cccc(CNCc2ccc(OCCC)c(OC)c2)c1 ZINC000825225769 1030752383 /nfs/dbraw/zinc/75/23/83/1030752383.db2.gz AAWFBECRGNRSRQ-UHFFFAOYSA-N 0 3 309.409 3.755 20 30 DHEDHN C#Cc1cccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000825227632 1030765333 /nfs/dbraw/zinc/76/53/33/1030765333.db2.gz VWSAECGCBGEEAT-INIZCTEOSA-N 0 3 318.420 3.646 20 30 DHEDHN C#Cc1cccc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)c1 ZINC000825227710 1030765558 /nfs/dbraw/zinc/76/55/58/1030765558.db2.gz YUCIRXZGCYTGDD-HNNXBMFYSA-N 0 3 307.393 3.680 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NCc1c(Cl)cccc1-n1ccnc1 ZINC000926496414 1030767042 /nfs/dbraw/zinc/76/70/42/1030767042.db2.gz CQQHROTZEUTERZ-CYBMUJFWSA-N 0 3 316.836 3.944 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000926611631 1030822910 /nfs/dbraw/zinc/82/29/10/1030822910.db2.gz OIOFFAXNYJIFJF-YSIASYRMSA-N 0 3 308.425 3.660 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000926781424 1030921138 /nfs/dbraw/zinc/92/11/38/1030921138.db2.gz WFLCIFAQIUTXHN-FZMZJTMJSA-N 0 3 314.351 3.657 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000926780650 1030921350 /nfs/dbraw/zinc/92/13/50/1030921350.db2.gz PWMBCUBCYWTVLW-ABAIWWIYSA-N 0 3 312.816 3.821 20 30 DHEDHN C[C@H]1Cc2cc(CN[C@@H]3CCc4ccc(C#N)cc43)ccc2O1 ZINC000926917969 1030991553 /nfs/dbraw/zinc/99/15/53/1030991553.db2.gz FYLHDTMCUQBHFW-ORAYPTAESA-N 0 3 304.393 3.659 20 30 DHEDHN C=CCC[C@H](NCc1cc(C2CC2)n(C)n1)[C@@]1(C)CCCCO1 ZINC000927107988 1031093080 /nfs/dbraw/zinc/09/30/80/1031093080.db2.gz JYOVPTZFPGQERR-RBUKOAKNSA-N 0 3 317.477 3.681 20 30 DHEDHN CC(C)(C#N)CCN1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844377062 1031106170 /nfs/dbraw/zinc/10/61/70/1031106170.db2.gz VIDBGSLUPSXZTE-QGZVFWFLSA-N 0 3 306.837 3.563 20 30 DHEDHN C=CC[C@@H](C)[C@H](C)NC1(c2ncc(Br)cn2)CCC1 ZINC000927146382 1031120290 /nfs/dbraw/zinc/12/02/90/1031120290.db2.gz WGGVOCQYTNMHBP-NEPJUHHUSA-N 0 3 324.266 3.809 20 30 DHEDHN COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080449270 1031364404 /nfs/dbraw/zinc/36/44/04/1031364404.db2.gz GHGPNNLFYMGYSF-ZDUSSCGKSA-N 0 3 300.383 3.765 20 30 DHEDHN C=CCCOCCN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872052734 1031441254 /nfs/dbraw/zinc/44/12/54/1031441254.db2.gz SWEGVSSCUBCKKA-GFCCVEGCSA-N 0 3 310.419 3.560 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cc(F)c(F)cc1F ZINC001171178894 1031571063 /nfs/dbraw/zinc/57/10/63/1031571063.db2.gz LNNXGHTXGRLOHE-NSHDSACASA-N 0 3 304.315 3.696 20 30 DHEDHN COCc1ccc(NC(=N)c2ccc3cc(O)ccc3c2)cc1 ZINC001171182748 1031593861 /nfs/dbraw/zinc/59/38/61/1031593861.db2.gz RZMMWOVVQBCITK-UHFFFAOYSA-N 0 3 306.365 3.729 20 30 DHEDHN C#CCSCCNCc1cc(Br)ccc1Cl ZINC000124311772 1031675736 /nfs/dbraw/zinc/67/57/36/1031675736.db2.gz SWHYTYQLXOJYCH-UHFFFAOYSA-N 0 3 318.667 3.559 20 30 DHEDHN CC[C@H](NC(=O)C(C#N)C(=O)C1CCC=CCC1)c1ccccc1 ZINC000873523104 1031858328 /nfs/dbraw/zinc/85/83/28/1031858328.db2.gz NAOIGFZDZBVSJB-MSOLQXFVSA-N 0 3 324.424 3.709 20 30 DHEDHN C=CCc1cc(CN2CCC[C@]3(CC3(F)F)C2)cc(OC)c1O ZINC000846109700 1031861574 /nfs/dbraw/zinc/86/15/74/1031861574.db2.gz UXGCUQBWSXRRRM-KRWDZBQOSA-N 0 3 323.383 3.751 20 30 DHEDHN C[C@@]1(Cc2cccc(F)c2)CCCN1Cc1cncc(C#N)c1 ZINC000930812906 1031956333 /nfs/dbraw/zinc/95/63/33/1031956333.db2.gz VRNPMHNDMVTIEI-IBGZPJMESA-N 0 3 309.388 3.690 20 30 DHEDHN CCCN(Cc1cc(C#N)n(C)c1)[C@@H]1CCCc2cccnc21 ZINC000361584306 1032001315 /nfs/dbraw/zinc/00/13/15/1032001315.db2.gz DVKBHBBRFDBDGC-GOSISDBHSA-N 0 3 308.429 3.581 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc2[nH]ccc2s1 ZINC000361657319 1032042461 /nfs/dbraw/zinc/04/24/61/1032042461.db2.gz VMTWJKFIIPDGMA-JTQLQIEISA-N 0 3 320.377 3.606 20 30 DHEDHN CCN(Cc1ccc(OCC#N)cc1)Cc1cccc(OC)c1 ZINC001137120586 1033313471 /nfs/dbraw/zinc/31/34/71/1033313471.db2.gz VHVPJZRLGZFPAO-UHFFFAOYSA-N 0 3 310.397 3.620 20 30 DHEDHN N#Cc1ccc2c(c1)CCN([C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172720029 1033328007 /nfs/dbraw/zinc/32/80/07/1033328007.db2.gz UYZSMWPXOHARIC-IBGZPJMESA-N 0 3 308.812 3.737 20 30 DHEDHN Cc1nn(C(C)(C)C)c(C)c1CN(C)CCc1cccc(C#N)c1 ZINC000877704331 1033416906 /nfs/dbraw/zinc/41/69/06/1033416906.db2.gz MGOXBYICBBMJOO-UHFFFAOYSA-N 0 3 324.472 3.801 20 30 DHEDHN C=CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1OC ZINC000877756556 1033435297 /nfs/dbraw/zinc/43/52/97/1033435297.db2.gz ROTZXTLEFAYGIM-AWEZNQCLSA-N 0 3 313.397 3.816 20 30 DHEDHN C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1[O-] ZINC000877756584 1033436063 /nfs/dbraw/zinc/43/60/63/1033436063.db2.gz VSGKNNUELSSDOS-OAHLLOKOSA-N 0 3 310.397 3.926 20 30 DHEDHN CC(C)c1cc([C@H]2CCCN(Cc3cc(C#N)cs3)C2)[nH]n1 ZINC000877783728 1033451633 /nfs/dbraw/zinc/45/16/33/1033451633.db2.gz DYVJUABPRDWZLT-AWEZNQCLSA-N 0 3 314.458 3.846 20 30 DHEDHN CC(C)c1cc([C@H]2CCCN(Cc3cc(C#N)cs3)C2)n[nH]1 ZINC000877783728 1033451642 /nfs/dbraw/zinc/45/16/42/1033451642.db2.gz DYVJUABPRDWZLT-AWEZNQCLSA-N 0 3 314.458 3.846 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Oc2ccccn2)CC1 ZINC000348505447 1033452294 /nfs/dbraw/zinc/45/22/94/1033452294.db2.gz BSYJGPCRLUDIGX-HNNXBMFYSA-N 0 3 307.397 3.558 20 30 DHEDHN CCCCN(CCC#N)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910879 1033484962 /nfs/dbraw/zinc/48/49/62/1033484962.db2.gz PRRUAKXBXGPAFO-QGZVFWFLSA-N 0 3 315.417 3.858 20 30 DHEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173080518 1033535196 /nfs/dbraw/zinc/53/51/96/1033535196.db2.gz UHISTFGUPYFBAH-AAEUAGOBSA-N 0 3 300.324 3.798 20 30 DHEDHN C=CCN(Cc1ccccc1)[C@H]1COc2cccc(OC)c2C1 ZINC001173165508 1033563568 /nfs/dbraw/zinc/56/35/68/1033563568.db2.gz MWSFFWPBMFEUTP-QGZVFWFLSA-N 0 3 309.409 3.687 20 30 DHEDHN CCC[C@@H]1CCCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878186200 1033615236 /nfs/dbraw/zinc/61/52/36/1033615236.db2.gz HBBALHGZPCBTSL-UYAOXDASSA-N 0 3 312.457 3.939 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@H]3CC4(CCC4)CO3)CC2)cc1 ZINC000878334236 1033661685 /nfs/dbraw/zinc/66/16/85/1033661685.db2.gz RYKAKVNUFQFPPR-LJQANCHMSA-N 0 3 308.425 3.607 20 30 DHEDHN COC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCC(C)CC1 ZINC000479469167 1033776468 /nfs/dbraw/zinc/77/64/68/1033776468.db2.gz GBEZRXSMVFHIHY-FVRSWCFKSA-N 0 3 304.409 3.943 20 30 DHEDHN CCCN(CCC#N)C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173682887 1033818772 /nfs/dbraw/zinc/81/87/72/1033818772.db2.gz LFHHGQDYTRNUFY-HUUCEWRRSA-N 0 3 323.481 3.789 20 30 DHEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C12CCCCC2 ZINC000553777196 1033831449 /nfs/dbraw/zinc/83/14/49/1033831449.db2.gz MCCLTCXTETWRLI-QZTJIDSGSA-N 0 3 316.420 3.915 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2cc(Cl)c(OCC=C)c(OC)c2)C1 ZINC000862447795 1033860530 /nfs/dbraw/zinc/86/05/30/1033860530.db2.gz RAXDJHSXXIBYNO-CQSZACIVSA-N 0 3 319.832 3.759 20 30 DHEDHN C=CCC1(NCc2csc(-c3ccn(C)n3)n2)CCCC1 ZINC000878954662 1033879953 /nfs/dbraw/zinc/87/99/53/1033879953.db2.gz ZMKGSGVWCXJUJX-UHFFFAOYSA-N 0 3 302.447 3.522 20 30 DHEDHN C#CCN(Cc1ccc(NC(C)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000127536035 1033933161 /nfs/dbraw/zinc/93/31/61/1033933161.db2.gz ULSOWHHRQWOFII-OAQYLSRUSA-N 0 3 318.420 3.768 20 30 DHEDHN Nc1ccc2c(c1)CCCC2=NNCCCOCc1ccccc1 ZINC000863177425 1034014328 /nfs/dbraw/zinc/01/43/28/1034014328.db2.gz LUFXSGIBCKGQMN-UHFFFAOYSA-N 0 3 323.440 3.506 20 30 DHEDHN CN(CCc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cn1 ZINC000879433036 1034014582 /nfs/dbraw/zinc/01/45/82/1034014582.db2.gz NIAAMJJXGDJPPL-UHFFFAOYSA-N 0 3 319.330 3.647 20 30 DHEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)CC[C@H](C(F)(F)F)O1 ZINC000880066523 1034200116 /nfs/dbraw/zinc/20/01/16/1034200116.db2.gz HUXMVTNNHZWNOS-CHWSQXEVSA-N 0 3 306.372 3.748 20 30 DHEDHN COc1cc2c(cc1OC)[C@H](C)N(CCCC(C)(C)C#N)CC2 ZINC000880091521 1034206733 /nfs/dbraw/zinc/20/67/33/1034206733.db2.gz YNPVGKBFCTZZQZ-AWEZNQCLSA-N 0 3 316.445 3.953 20 30 DHEDHN C=CCC[C@@H](CC)NC1(c2ncc(Br)cn2)CCC1 ZINC000927145146 1034213020 /nfs/dbraw/zinc/21/30/20/1034213020.db2.gz OQISGLOTVBRAFV-CYBMUJFWSA-N 0 3 324.266 3.953 20 30 DHEDHN C=CCCC[C@@H](NCc1cccc(C(N)=O)c1)c1ccccc1 ZINC000880388233 1034321468 /nfs/dbraw/zinc/32/14/68/1034321468.db2.gz KLFILWHRPODAIO-LJQANCHMSA-N 0 3 308.425 3.973 20 30 DHEDHN Cc1csc(CN2CCC[C@H](Oc3ccccc3C#N)C2)c1 ZINC001137158522 1034402735 /nfs/dbraw/zinc/40/27/35/1034402735.db2.gz WMSZQGJYQVEAEX-INIZCTEOSA-N 0 3 312.438 3.972 20 30 DHEDHN Cc1cnccc1Nc1cc(Cl)c(Br)cc1C#N ZINC001174538627 1034454087 /nfs/dbraw/zinc/45/40/87/1034454087.db2.gz NQUZPKKDSDYHMT-UHFFFAOYSA-N 0 3 322.593 3.843 20 30 DHEDHN C#CCOc1ccccc1C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794812365 1034528923 /nfs/dbraw/zinc/52/89/23/1034528923.db2.gz WFDHDRFXLGOKRV-GOSISDBHSA-N 0 3 309.409 3.954 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc2[nH]ccc2c1 ZINC000600106894 1034734622 /nfs/dbraw/zinc/73/46/22/1034734622.db2.gz JAQSPGMONNSZMD-UHFFFAOYSA-N 0 3 319.408 3.688 20 30 DHEDHN C[C@@H](OC(=O)c1cccc(CN2CCCCC2)c1)C(C)(C)C#N ZINC000842324872 1034861348 /nfs/dbraw/zinc/86/13/48/1034861348.db2.gz IHDQISYUOVCILU-OAHLLOKOSA-N 0 3 314.429 3.768 20 30 DHEDHN COc1ccc(OC)c([C@@H]2CCCN2CCC(C)(C)C#N)c1 ZINC000157450319 1034896528 /nfs/dbraw/zinc/89/65/28/1034896528.db2.gz KDTSRZCCFIZDSO-INIZCTEOSA-N 0 3 302.418 3.781 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000481757112 1034967321 /nfs/dbraw/zinc/96/73/21/1034967321.db2.gz PNOFUHIFAJRNNT-MSOLQXFVSA-N 0 3 305.849 3.875 20 30 DHEDHN N#CCC[C@@H](C#N)CNCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000600613777 1035009576 /nfs/dbraw/zinc/00/95/76/1035009576.db2.gz CIETVXMFDKVOGJ-NSHDSACASA-N 0 3 318.783 3.536 20 30 DHEDHN C#Cc1ccc(Nc2ccc(N3CCN(CC)CC3)cc2)cc1 ZINC001175781057 1035119193 /nfs/dbraw/zinc/11/91/93/1035119193.db2.gz AZBSYHYBGLNWON-UHFFFAOYSA-N 0 3 305.425 3.553 20 30 DHEDHN CCN1CCN(c2ccc(Nc3c(C)cccc3C#N)cc2)CC1 ZINC001175782274 1035119945 /nfs/dbraw/zinc/11/99/45/1035119945.db2.gz RMEZHLAXZPSLGN-UHFFFAOYSA-N 0 3 320.440 3.752 20 30 DHEDHN COc1cccc([C@@H]2CCN(Cc3cc(C#N)ccn3)C2(C)C)c1 ZINC001175820627 1035135463 /nfs/dbraw/zinc/13/54/63/1035135463.db2.gz FDQQOURGCCKZDM-IBGZPJMESA-N 0 3 321.424 3.730 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@H](CCCO)c2ccccc2)cc1 ZINC000160751696 1035227589 /nfs/dbraw/zinc/22/75/89/1035227589.db2.gz IMXQTPUKVIAXQD-DYESRHJHSA-N 0 3 323.436 3.863 20 30 DHEDHN COc1ccccc1C[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000483602169 1035282557 /nfs/dbraw/zinc/28/25/57/1035282557.db2.gz QIKFWVQKIWMHRO-FQEVSTJZSA-N 0 3 305.421 3.754 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000483765975 1035298312 /nfs/dbraw/zinc/29/83/12/1035298312.db2.gz SDFIQUKMNHOABB-WBVHZDCISA-N 0 3 321.509 3.541 20 30 DHEDHN CC(C)[C@H](CO)N(CC#Cc1ccccc1)Cc1ccccc1 ZINC000483952082 1035310303 /nfs/dbraw/zinc/31/03/03/1035310303.db2.gz GYUOMHDVKVDOOG-NRFANRHFSA-N 0 3 307.437 3.557 20 30 DHEDHN CC(C)c1ccc2c(c1)CCN(C[C@@H](O)CC1(C#N)CCC1)C2 ZINC001177027491 1035344627 /nfs/dbraw/zinc/34/46/27/1035344627.db2.gz LTZCFUFBHJVMBS-IBGZPJMESA-N 0 3 312.457 3.613 20 30 DHEDHN CN1CCN(CCCCC2(C#N)CCC2)[C@H](c2ccccc2)C1 ZINC001193023008 1035541547 /nfs/dbraw/zinc/54/15/47/1035541547.db2.gz YLVGVZPVRVBBLX-IBGZPJMESA-N 0 3 311.473 3.839 20 30 DHEDHN CN1CCN(CCCCC2(C#N)CCC2)[C@@H](c2ccccc2)C1 ZINC001193023012 1035542142 /nfs/dbraw/zinc/54/21/42/1035542142.db2.gz YLVGVZPVRVBBLX-LJQANCHMSA-N 0 3 311.473 3.839 20 30 DHEDHN C#CCN(Cc1ccc(N(C)C)cc1C(F)(F)F)CC1CC1 ZINC001180116807 1035600524 /nfs/dbraw/zinc/60/05/24/1035600524.db2.gz LTLIOYGROWEDTL-UHFFFAOYSA-N 0 3 310.363 3.617 20 30 DHEDHN C#Cc1cccc(NC(=O)CN(C)C[C@H]2CCCC[C@H]2CC)c1 ZINC001180161604 1035614354 /nfs/dbraw/zinc/61/43/54/1035614354.db2.gz IZQYBDZFKNOIFP-QZTJIDSGSA-N 0 3 312.457 3.755 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(OCC#N)cc1 ZINC000784267100 1035781990 /nfs/dbraw/zinc/78/19/90/1035781990.db2.gz WOOQKTHWZACJLW-OAHLLOKOSA-N 0 3 305.381 3.506 20 30 DHEDHN C=CCNC(=O)CN[C@H](CC)c1ccc(Oc2ccccc2)cc1 ZINC000539678933 1035826807 /nfs/dbraw/zinc/82/68/07/1035826807.db2.gz DVXUEMYEQLQUTG-LJQANCHMSA-N 0 3 324.424 3.822 20 30 DHEDHN CCO[C@H]1C[C@@H](NCc2cccc(C#N)c2F)C12CCCCC2 ZINC001194090538 1035840629 /nfs/dbraw/zinc/84/06/29/1035840629.db2.gz JHWBVTBTFGCHNV-SJORKVTESA-N 0 3 316.420 3.915 20 30 DHEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2F)C12CCCCC2 ZINC001194090535 1035840992 /nfs/dbraw/zinc/84/09/92/1035840992.db2.gz JHWBVTBTFGCHNV-DLBZAZTESA-N 0 3 316.420 3.915 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)C(CC)(CC)c1ccccc1 ZINC001181159516 1035852450 /nfs/dbraw/zinc/85/24/50/1035852450.db2.gz VQVPIYTVAXWLHE-SFHVURJKSA-N 0 3 314.473 3.511 20 30 DHEDHN N#CCC1(CN(Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC001194281089 1035884468 /nfs/dbraw/zinc/88/44/68/1035884468.db2.gz ZCXUWCMBEKAHBJ-HXUWFJFHSA-N 0 3 320.436 3.916 20 30 DHEDHN CCC#C[C@H](C)N[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000670092001 1035894349 /nfs/dbraw/zinc/89/43/49/1035894349.db2.gz BJQHYBYNMOHLQT-BJOOFOGMSA-N 0 3 324.390 3.631 20 30 DHEDHN CN(C)Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000195472258 1035902238 /nfs/dbraw/zinc/90/22/38/1035902238.db2.gz SHBXYNSHSPNIIN-UHFFFAOYSA-N 0 3 321.424 3.802 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3ccccc3)nc21 ZINC000774100243 1036163156 /nfs/dbraw/zinc/16/31/56/1036163156.db2.gz AWYVGPLMBHOTMA-ZFWWWQNUSA-N 0 3 303.365 3.851 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3ccccc3)nc21 ZINC000774100241 1036165434 /nfs/dbraw/zinc/16/54/34/1036165434.db2.gz AWYVGPLMBHOTMA-HIFRSBDPSA-N 0 3 303.365 3.851 20 30 DHEDHN C=CCCCCCN(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001195660488 1036312984 /nfs/dbraw/zinc/31/29/84/1036312984.db2.gz YRVQFFWQYYEYEK-UHFFFAOYSA-N 0 3 308.466 3.817 20 30 DHEDHN COc1cc(C#N)ccc1CN1CCc2ccc(F)cc2[C@H](C)C1 ZINC001195695465 1036320466 /nfs/dbraw/zinc/32/04/66/1036320466.db2.gz XJBTVMHOKUTVTP-CQSZACIVSA-N 0 3 324.399 3.868 20 30 DHEDHN N#Cc1ccc(CN(Cc2ccc3[nH]cnc3c2)C2CC2)cc1 ZINC000541555287 1036363756 /nfs/dbraw/zinc/36/37/56/1036363756.db2.gz VCTHBDCXDZOROB-UHFFFAOYSA-N 0 3 302.381 3.599 20 30 DHEDHN N#Cc1ccc(CN(Cc2ccc3nc[nH]c3c2)C2CC2)cc1 ZINC000541555287 1036363776 /nfs/dbraw/zinc/36/37/76/1036363776.db2.gz VCTHBDCXDZOROB-UHFFFAOYSA-N 0 3 302.381 3.599 20 30 DHEDHN Cc1cc(C=NNc2cnn(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000761860677 1036364659 /nfs/dbraw/zinc/36/46/59/1036364659.db2.gz NRFMLNCGTQRCHA-UHFFFAOYSA-N 0 3 307.401 3.582 20 30 DHEDHN C=CCOc1ccccc1CN[C@H](COC)Cc1ccccc1 ZINC000541586427 1036375384 /nfs/dbraw/zinc/37/53/84/1036375384.db2.gz VUYUYASCAJDTOS-IBGZPJMESA-N 0 3 311.425 3.599 20 30 DHEDHN C=CC(C)(C)CC(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000888272536 1036426903 /nfs/dbraw/zinc/42/69/03/1036426903.db2.gz NTJHRISBCKCKIT-UHFFFAOYSA-N 0 3 300.446 3.716 20 30 DHEDHN C=CCN(C[C@@H]1CCC[C@@H](c2ccccc2)O1)[C@@H](C)COC ZINC001196048500 1036430790 /nfs/dbraw/zinc/43/07/90/1036430790.db2.gz WOTIQNKILWTQJC-WDSOQIARSA-N 0 3 303.446 3.820 20 30 DHEDHN COc1cc(CN2CC[C@](C)(c3cccc(F)c3)C2)ccc1C#N ZINC001182753023 1036435869 /nfs/dbraw/zinc/43/58/69/1036435869.db2.gz DJFHWILZMPPLDS-FQEVSTJZSA-N 0 3 324.399 3.870 20 30 DHEDHN N#CCC1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000541952877 1036470580 /nfs/dbraw/zinc/47/05/80/1036470580.db2.gz XPHZQMNJGBNUJE-UHFFFAOYSA-N 0 3 313.228 3.998 20 30 DHEDHN CC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000271830103 1036552161 /nfs/dbraw/zinc/55/21/61/1036552161.db2.gz UFCKPBZWUBBTRZ-QZTJIDSGSA-N 0 3 316.351 3.611 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccc(C#N)c(F)c1 ZINC000271936638 1036718931 /nfs/dbraw/zinc/71/89/31/1036718931.db2.gz KHWAOPAYIBBUMH-CQSZACIVSA-N 0 3 323.415 3.931 20 30 DHEDHN C=C(CC)CN1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001197646079 1036824224 /nfs/dbraw/zinc/82/42/24/1036824224.db2.gz AKIHGRQLAULGTL-UHFFFAOYSA-N 0 3 314.351 3.910 20 30 DHEDHN C=CC[C@@H](C(=O)NCCN(C)Cc1ccccc1)c1ccccc1 ZINC000488685397 1037106464 /nfs/dbraw/zinc/10/64/64/1037106464.db2.gz AHKRNNBLFVQOOT-HXUWFJFHSA-N 0 3 322.452 3.595 20 30 DHEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000912103381 1037291693 /nfs/dbraw/zinc/29/16/93/1037291693.db2.gz SWPIREMJNVWVJL-AWEZNQCLSA-N 0 3 322.499 3.787 20 30 DHEDHN C#CCOc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776016217 1037312557 /nfs/dbraw/zinc/31/25/57/1037312557.db2.gz ZNWZNQVZCAZUPQ-XJKSGUPXSA-N 0 3 311.347 3.861 20 30 DHEDHN CC[C@H](C)N[C@@H](CNc1cc(F)ccc1C#N)c1ccco1 ZINC001186404810 1037389309 /nfs/dbraw/zinc/38/93/09/1037389309.db2.gz HZJDERIFVZGVJI-LRDDRELGSA-N 0 3 301.365 3.832 20 30 DHEDHN C[C@H](NCc1ccccc1-n1cccn1)c1ccc(C#N)cc1 ZINC000194373883 1037469038 /nfs/dbraw/zinc/46/90/38/1037469038.db2.gz AGZCSMMKZZSBDD-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN N#Cc1ccc([C@@H](O)CNCc2ccc(Cl)cc2Cl)cc1 ZINC000763227039 1037520463 /nfs/dbraw/zinc/52/04/63/1037520463.db2.gz SKSWVFOZYCBFKT-INIZCTEOSA-N 0 3 321.207 3.688 20 30 DHEDHN C=CCN(C)CCN(CC)c1cc(C(C)C)nc(C(C)C)n1 ZINC001186854630 1037520702 /nfs/dbraw/zinc/52/07/02/1037520702.db2.gz NEZHNYPBZNDBAS-UHFFFAOYSA-N 0 3 304.482 3.668 20 30 DHEDHN CCCN1CCN(c2ccccc2C=[NH+][N-]c2ccccc2)CC1 ZINC000915932912 1037617632 /nfs/dbraw/zinc/61/76/32/1037617632.db2.gz FDUXHMRNJDPCFE-UHFFFAOYSA-N 0 3 322.456 3.665 20 30 DHEDHN CC(=NNCc1cccc2cccnc21)c1ccc(N(C)C)cc1 ZINC000915963434 1037634456 /nfs/dbraw/zinc/63/44/56/1037634456.db2.gz XKPRHQHYNLKKSC-UHFFFAOYSA-N 0 3 318.424 3.815 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000775135549 1037686344 /nfs/dbraw/zinc/68/63/44/1037686344.db2.gz GVMLGXSHYDLTSK-JSGCOSHPSA-N 0 3 312.335 3.752 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1OCCc2ccccc21 ZINC000490363107 1037689691 /nfs/dbraw/zinc/68/96/91/1037689691.db2.gz GBBXUGAFKTUONA-FOIQADDNSA-N 0 3 306.409 3.865 20 30 DHEDHN CCCCCCCCN1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001201814828 1037902308 /nfs/dbraw/zinc/90/23/08/1037902308.db2.gz SOGZSOHBYODQCY-QGZVFWFLSA-N 0 3 307.482 3.809 20 30 DHEDHN Cc1cc(CN(C)CCOCc2ccc(C#N)cc2)ccc1F ZINC000570885603 1037935642 /nfs/dbraw/zinc/93/56/42/1037935642.db2.gz IDGWGGKGWZEDLX-UHFFFAOYSA-N 0 3 312.388 3.654 20 30 DHEDHN CN(C)[C@H](C/N=C\c1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000054893278 1038000370 /nfs/dbraw/zinc/00/03/70/1038000370.db2.gz BZJSAPXVCTVSGT-HSGPEQJXSA-N 0 3 320.795 3.907 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc([C@@H]3C[C@H]3C)o2)nc(C)n1 ZINC000916880155 1038016489 /nfs/dbraw/zinc/01/64/89/1038016489.db2.gz MIPCPJKNGDJDCA-VFHZUOIBSA-N 0 3 321.380 3.700 20 30 DHEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000156816098 1038325185 /nfs/dbraw/zinc/32/51/85/1038325185.db2.gz FQTNZJPSFPEBIU-DGCLKSJQSA-N 0 3 317.439 3.523 20 30 DHEDHN Cc1ncc2c(n1)CCC[C@H]2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000775396392 1038341332 /nfs/dbraw/zinc/34/13/32/1038341332.db2.gz WLWZTYQGPLOLCN-UYAOXDASSA-N 0 3 318.424 3.701 20 30 DHEDHN C#CCN(Cc1ccc(-c2ccccn2)nc1)C1CCCCC1 ZINC001190708935 1038367024 /nfs/dbraw/zinc/36/70/24/1038367024.db2.gz ZFKZJYZSOSEPGR-UHFFFAOYSA-N 0 3 305.425 3.912 20 30 DHEDHN C=CC[C@H](C)N1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC001190994650 1038424481 /nfs/dbraw/zinc/42/44/81/1038424481.db2.gz JQIBWSLDPVCKSI-KBXCAEBGSA-N 0 3 308.416 3.998 20 30 DHEDHN CCCCCCCCNC(=O)N(C(C)C)C1CCN(C)CC1 ZINC001191069002 1038427374 /nfs/dbraw/zinc/42/73/74/1038427374.db2.gz YRLSLPJFZXJGLC-UHFFFAOYSA-N 0 3 311.514 3.861 20 30 DHEDHN CCCCCCCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC001191112744 1038441945 /nfs/dbraw/zinc/44/19/45/1038441945.db2.gz JLJNRFKMBHWJOI-QGZVFWFLSA-N 0 3 305.466 3.559 20 30 DHEDHN N#Cc1cccc(OCCCNC2(c3ccccc3F)CC2)c1 ZINC000775452079 1038489634 /nfs/dbraw/zinc/48/96/34/1038489634.db2.gz SNWABPGUUYUCBI-UHFFFAOYSA-N 0 3 310.372 3.745 20 30 DHEDHN N#Cc1c(F)cccc1CN[C@@H](CN1CCCC1)c1ccccc1 ZINC000589990503 1038566736 /nfs/dbraw/zinc/56/67/36/1038566736.db2.gz QQHXBRNEWOCLJC-FQEVSTJZSA-N 0 3 323.415 3.624 20 30 DHEDHN C=C(CNCc1cc(OC)cc2c1O[C@@H](C)C2)c1ccccc1 ZINC000590075639 1038576093 /nfs/dbraw/zinc/57/60/93/1038576093.db2.gz UVXQMRJQBRVMAU-HNNXBMFYSA-N 0 3 309.409 3.822 20 30 DHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccccc1Cl ZINC000057596466 1038686736 /nfs/dbraw/zinc/68/67/36/1038686736.db2.gz QBYNQPSZFNZXSG-CYBMUJFWSA-N 0 3 300.789 3.941 20 30 DHEDHN C[C@H](NC[C@H](O)[C@@H](C)c1ccccc1)c1ccc(C#N)cc1F ZINC000590715640 1038694389 /nfs/dbraw/zinc/69/43/89/1038694389.db2.gz AEVYHJXCARQBSE-NJSLBKSFSA-N 0 3 312.388 3.513 20 30 DHEDHN C[C@@H](NCCCOc1ccc(C#N)cc1)c1cccc(F)c1F ZINC000775550941 1038707789 /nfs/dbraw/zinc/70/77/89/1038707789.db2.gz QTUUHNBWYBUPII-CYBMUJFWSA-N 0 3 316.351 3.956 20 30 DHEDHN Cc1cc(C)cc([C@H](O)CN[C@H](CCC#N)c2ccccc2)c1 ZINC000775553090 1038714268 /nfs/dbraw/zinc/71/42/68/1038714268.db2.gz KWSJNRJIEGPMHB-WOJBJXKFSA-N 0 3 308.425 3.972 20 30 DHEDHN Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@H](N)CCCC#N ZINC000591614007 1038941957 /nfs/dbraw/zinc/94/19/57/1038941957.db2.gz SPUKHRJJTGCOSD-QGZVFWFLSA-N 0 3 323.396 3.747 20 30 DHEDHN CC[C@H](OCCNCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000593664418 1038997586 /nfs/dbraw/zinc/99/75/86/1038997586.db2.gz MOPMMJDKBRGBPS-IBGZPJMESA-N 0 3 324.424 3.824 20 30 DHEDHN CC[C@H](OCCNCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000593664674 1038998753 /nfs/dbraw/zinc/99/87/53/1038998753.db2.gz SQBKPCLWORSITB-IBGZPJMESA-N 0 3 312.388 3.955 20 30 DHEDHN N#Cc1cnccc1CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000592123666 1039123780 /nfs/dbraw/zinc/12/37/80/1039123780.db2.gz XUTBDLZSLYVXCM-ZCNNSNEGSA-N 0 3 303.409 3.721 20 30 DHEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cc(Cl)ccc1Cl ZINC000599350520 1039128594 /nfs/dbraw/zinc/12/85/94/1039128594.db2.gz SYBQJVFLLGATDV-CMPLNLGQSA-N 0 3 313.228 3.699 20 30 DHEDHN C[C@@]1(Cc2cccc(F)c2)CCCN1Cc1ccnc(C#N)c1 ZINC000592138444 1039130700 /nfs/dbraw/zinc/13/07/00/1039130700.db2.gz NBRBUUHFPUUFEB-IBGZPJMESA-N 0 3 309.388 3.690 20 30 DHEDHN COc1ccc(C2CCN(Cc3ccc(C)c(C#N)c3)CC2)nc1 ZINC000599451097 1039157107 /nfs/dbraw/zinc/15/71/07/1039157107.db2.gz ALLUIACWYILTGJ-UHFFFAOYSA-N 0 3 321.424 3.650 20 30 DHEDHN N#CCc1cccc2c1CCN(CCc1ccc(F)c(F)c1)C2 ZINC000599676460 1039254770 /nfs/dbraw/zinc/25/47/70/1039254770.db2.gz DFSXCQZNVSCHOD-UHFFFAOYSA-N 0 3 312.363 3.632 20 30 DHEDHN N#CCc1cccc2c1CCN(C[C@H]1CCC3(CCCC3)O1)C2 ZINC000599676959 1039255032 /nfs/dbraw/zinc/25/50/32/1039255032.db2.gz CVPAGYGQIVHSLK-GOSISDBHSA-N 0 3 310.441 3.603 20 30 DHEDHN COc1ccc([C@@H](NCc2ccc(C)c(C#N)c2)C2CC2)cn1 ZINC000599703399 1039266038 /nfs/dbraw/zinc/26/60/38/1039266038.db2.gz NXNSVIVVYKRDOZ-IBGZPJMESA-N 0 3 307.397 3.511 20 30 DHEDHN N#Cc1cc(CN2CCC3(CCc4ccccc4C3)CC2)ccn1 ZINC000593037703 1039364749 /nfs/dbraw/zinc/36/47/49/1039364749.db2.gz UHPBTMJMRYSBRE-UHFFFAOYSA-N 0 3 317.436 3.724 20 30 DHEDHN CC[C@H](c1ccccc1)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000604508617 1039488799 /nfs/dbraw/zinc/48/87/99/1039488799.db2.gz JCLGUOGLEZEBMU-OAQYLSRUSA-N 0 3 319.452 3.827 20 30 DHEDHN Cc1nn(-c2cccc(C)c2)cc1CN1CCC(CC#N)CC1 ZINC000593612560 1039570007 /nfs/dbraw/zinc/57/00/07/1039570007.db2.gz BYVSJGIFMPNZPO-UHFFFAOYSA-N 0 3 308.429 3.615 20 30 DHEDHN N#CC(C(=O)CCC(=O)c1ccc(Cl)cc1)c1ccccn1 ZINC000046439787 1039637935 /nfs/dbraw/zinc/63/79/35/1039637935.db2.gz JUMCJZPIERJPLN-AWEZNQCLSA-N 0 3 312.756 3.574 20 30 DHEDHN CCCCOc1ccc(NC(=O)[C@H](N)CCCCC#N)c(C)c1 ZINC000594428453 1039779528 /nfs/dbraw/zinc/77/95/28/1039779528.db2.gz LQZPXVOXUCBYNI-MRXNPFEDSA-N 0 3 317.433 3.524 20 30 DHEDHN CC(C)Sc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594446225 1039783524 /nfs/dbraw/zinc/78/35/24/1039783524.db2.gz RIPGQILWDRHJMM-ZDUSSCGKSA-N 0 3 305.447 3.537 20 30 DHEDHN CCC(CC)[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594426273 1039791133 /nfs/dbraw/zinc/79/11/33/1039791133.db2.gz DSSMHKHCFUEMBV-MSOLQXFVSA-N 0 3 315.461 3.691 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000594427130 1039792857 /nfs/dbraw/zinc/79/28/57/1039792857.db2.gz HIDFFSFVXGWYGY-QZTJIDSGSA-N 0 3 313.445 3.542 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000594427932 1039794810 /nfs/dbraw/zinc/79/48/10/1039794810.db2.gz YEYVZORAQQCVRJ-GOSISDBHSA-N 0 3 321.424 3.627 20 30 DHEDHN COc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000594915390 1039922602 /nfs/dbraw/zinc/92/26/02/1039922602.db2.gz SRZLJBCSLFTYQP-UHFFFAOYSA-N 0 3 310.372 3.679 20 30 DHEDHN N#CC1(c2ccc(CNCc3ccc4c(c3)COC4)cc2)CC1 ZINC000594930436 1039932762 /nfs/dbraw/zinc/93/27/62/1039932762.db2.gz FVPYYKHKVSEQHJ-UHFFFAOYSA-N 0 3 304.393 3.562 20 30 DHEDHN N#CCCC[C@H](NCc1ccnn1CC1CC1)c1ccccc1 ZINC000594943457 1039957496 /nfs/dbraw/zinc/95/74/96/1039957496.db2.gz IXLXFSRFAXDPRM-IBGZPJMESA-N 0 3 308.429 3.818 20 30 DHEDHN N#CCCCNCc1ccccc1OCc1ccc(F)cc1F ZINC000594943768 1039958460 /nfs/dbraw/zinc/95/84/60/1039958460.db2.gz POCHXHMMZZXLIY-UHFFFAOYSA-N 0 3 316.351 3.937 20 30 DHEDHN Cc1ccc(C(C)(C)NCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594944495 1039958508 /nfs/dbraw/zinc/95/85/08/1039958508.db2.gz JCHYBOYHIMWOQQ-UHFFFAOYSA-N 0 3 305.425 3.970 20 30 DHEDHN C[C@H](NCCc1ccc(C#N)cc1)c1nc2c(s1)CCCC2 ZINC000595055235 1040020273 /nfs/dbraw/zinc/02/02/73/1040020273.db2.gz BOBPWSCETVCSBG-ZDUSSCGKSA-N 0 3 311.454 3.787 20 30 DHEDHN CC(C)[C@H](O)[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000595095180 1040081650 /nfs/dbraw/zinc/08/16/50/1040081650.db2.gz GDHQOYXCOMIBRP-YSSFQJQWSA-N 0 3 308.425 3.967 20 30 DHEDHN N#Cc1ccc(OCCCN2CCC(C(F)(F)F)CC2)cc1 ZINC000173010683 1040133726 /nfs/dbraw/zinc/13/37/26/1040133726.db2.gz UWFYPKFIRGQIPB-UHFFFAOYSA-N 0 3 312.335 3.601 20 30 DHEDHN N#Cc1sccc1N1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000595629687 1040195102 /nfs/dbraw/zinc/19/51/02/1040195102.db2.gz INYQLGZZSFUIFU-IRXDYDNUSA-N 0 3 323.465 3.545 20 30 DHEDHN CC[C@@H](NCCCCC(C)(C)C#N)c1nnc2n1CCCCC2 ZINC000595800311 1040243410 /nfs/dbraw/zinc/24/34/10/1040243410.db2.gz RILSQFRDLSHWDI-OAHLLOKOSA-N 0 3 317.481 3.765 20 30 DHEDHN COC[C@H](C)Oc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000596979379 1040615279 /nfs/dbraw/zinc/61/52/79/1040615279.db2.gz LAWOLYAYOGBSCF-INIZCTEOSA-N 0 3 324.424 3.604 20 30 DHEDHN CN(CCOCc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597028430 1040629620 /nfs/dbraw/zinc/62/96/20/1040629620.db2.gz YPLIESJHADOCEL-UHFFFAOYSA-N 0 3 320.436 3.890 20 30 DHEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000597132877 1040659859 /nfs/dbraw/zinc/65/98/59/1040659859.db2.gz MSROCIVYBWUZLL-QZTJIDSGSA-N 0 3 310.441 3.631 20 30 DHEDHN C=CCCSCCNCc1nc(C(C)C)n2ccccc12 ZINC000597185185 1040683561 /nfs/dbraw/zinc/68/35/61/1040683561.db2.gz TVGGMXRQILDEMD-UHFFFAOYSA-N 0 3 303.475 3.857 20 30 DHEDHN N#CC1(c2ccc(CN3CCOC(C4CC4)(C4CC4)C3)cc2)CC1 ZINC000597226521 1040704341 /nfs/dbraw/zinc/70/43/41/1040704341.db2.gz LTTGDGYFFFXTGH-UHFFFAOYSA-N 0 3 322.452 3.633 20 30 DHEDHN CCC(CC)[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602015531 1040849728 /nfs/dbraw/zinc/84/97/28/1040849728.db2.gz LHTHJXJEDBUPPF-YJBOKZPZSA-N 0 3 304.409 3.771 20 30 DHEDHN COc1cc(CN[C@H]2CCc3cc(C)cc(C)c32)ccc1C#N ZINC000594525284 1040887591 /nfs/dbraw/zinc/88/75/91/1040887591.db2.gz UXTGHZNTQPLBPE-SFHVURJKSA-N 0 3 306.409 3.961 20 30 DHEDHN C[C@H](CCC#N)CN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000602461243 1041043909 /nfs/dbraw/zinc/04/39/09/1041043909.db2.gz DXGSVHUHYBANHG-CABCVRRESA-N 0 3 321.415 3.583 20 30 DHEDHN C[C@@H](CCC#N)CN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000602467456 1041046198 /nfs/dbraw/zinc/04/61/98/1041046198.db2.gz XMUQGKVXBAFPBI-KBXCAEBGSA-N 0 3 314.408 3.520 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000602578191 1041110682 /nfs/dbraw/zinc/11/06/82/1041110682.db2.gz KYAYFXXONLRASL-CYBMUJFWSA-N 0 3 320.462 3.541 20 30 DHEDHN C[C@H](NC1CCC(C#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000602641098 1041127417 /nfs/dbraw/zinc/12/74/17/1041127417.db2.gz QLTLTXYCHKMDLY-IDKOKCKLSA-N 0 3 303.353 3.895 20 30 DHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cc(C2CC2)ccc1F ZINC000602675083 1041142249 /nfs/dbraw/zinc/14/22/49/1041142249.db2.gz QQGVUPFFVLNYLR-AWEZNQCLSA-N 0 3 316.420 3.892 20 30 DHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(C2CC2)cc1F ZINC000602670190 1041150073 /nfs/dbraw/zinc/15/00/73/1041150073.db2.gz BUEYNNIJEHYHBV-AWEZNQCLSA-N 0 3 316.420 3.892 20 30 DHEDHN CC[C@](C)(NCc1cnc2ccc(C#N)cn12)c1ccc(F)cc1 ZINC000602728782 1041183423 /nfs/dbraw/zinc/18/34/23/1041183423.db2.gz OQAZRSCZMWVOTR-IBGZPJMESA-N 0 3 322.387 3.760 20 30 DHEDHN Cc1ccc(CN2CCC(c3ccc(C#N)cn3)CC2)cc1F ZINC000602905492 1041302453 /nfs/dbraw/zinc/30/24/53/1041302453.db2.gz FODFDZXJRYUWPN-UHFFFAOYSA-N 0 3 309.388 3.780 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1ccccc1Cl ZINC000598586207 1041347291 /nfs/dbraw/zinc/34/72/91/1041347291.db2.gz QGABJMOVEINLAD-XJKSGUPXSA-N 0 3 306.837 3.778 20 30 DHEDHN CCc1ccc([C@@H]2CCCCN2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598593001 1041351131 /nfs/dbraw/zinc/35/11/31/1041351131.db2.gz POFYNLMOXHXBBT-ZBFHGGJFSA-N 0 3 304.434 3.670 20 30 DHEDHN CCc1ccc([C@@H]2CCCCN2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598593000 1041352544 /nfs/dbraw/zinc/35/25/44/1041352544.db2.gz POFYNLMOXHXBBT-HOCLYGCPSA-N 0 3 304.434 3.670 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CN1CCC(=Cc2ccccc2F)CC1 ZINC000598593891 1041355084 /nfs/dbraw/zinc/35/50/84/1041355084.db2.gz XYAKMVUSGJRIPV-KRWDZBQOSA-N 0 3 316.420 3.606 20 30 DHEDHN C=CCCCC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000180441262 334950079 /nfs/dbraw/zinc/95/00/79/334950079.db2.gz ITPLUDFAXRNEGO-UHFFFAOYSA-N 0 3 315.461 3.503 20 30 DHEDHN C(#Cc1ccccc1)CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285892329 335027715 /nfs/dbraw/zinc/02/77/15/335027715.db2.gz JZZOHYRUHXAZEQ-BHIFYINESA-N 0 3 317.432 3.543 20 30 DHEDHN C=C(C)CN1CCC(N[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000286321348 335033067 /nfs/dbraw/zinc/03/30/67/335033067.db2.gz XOVZZRPXWLLEGP-SFHVURJKSA-N 0 3 316.493 3.661 20 30 DHEDHN CN(Cc1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000042267238 183248400 /nfs/dbraw/zinc/24/84/00/183248400.db2.gz DSAPZVKCNRQFOX-UHFFFAOYSA-N 0 3 315.214 3.953 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285379918 131162455 /nfs/dbraw/zinc/16/24/55/131162455.db2.gz ROTHINXDZUEEOZ-CQSZACIVSA-N 0 3 309.369 3.702 20 30 DHEDHN CC[C@H](COCC(F)(F)F)N[C@@H](C)c1cccc(C#N)c1 ZINC000297473710 132017582 /nfs/dbraw/zinc/01/75/82/132017582.db2.gz YTZPGADGSVHGOF-SMDDNHRTSA-N 0 3 300.324 3.566 20 30 DHEDHN CCN(CC)[C@@H](CNc1ccc(C#N)cn1)c1ccsc1 ZINC000298466496 132064431 /nfs/dbraw/zinc/06/44/31/132064431.db2.gz NRPLWWSBDDRRDL-HNNXBMFYSA-N 0 3 300.431 3.510 20 30 DHEDHN N#Cc1ccccc1NC(=O)CCNC1(c2ccccc2)CCC1 ZINC000298606068 132069888 /nfs/dbraw/zinc/06/98/88/132069888.db2.gz LUDIKBMWQFNZPV-UHFFFAOYSA-N 0 3 319.408 3.556 20 30 DHEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000186696763 331466431 /nfs/dbraw/zinc/46/64/31/331466431.db2.gz OXOUHUTZKUDCEZ-PWSUYJOCSA-N 0 3 317.401 3.598 20 30 DHEDHN C=CCC[C@H](NCC(=O)N(C)Cc1ccco1)c1ccccc1 ZINC000299054662 331677607 /nfs/dbraw/zinc/67/76/07/331677607.db2.gz SFRYQCUDXHWNNV-SFHVURJKSA-N 0 3 312.413 3.535 20 30 DHEDHN N#CCCCN(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000088604603 332054992 /nfs/dbraw/zinc/05/49/92/332054992.db2.gz IJPUHHRKQDPBGK-MRXNPFEDSA-N 0 3 300.427 3.587 20 30 DHEDHN CN(Cc1ccccc1)CC(C)(C)NCc1cc(C#N)cs1 ZINC000159398527 332088003 /nfs/dbraw/zinc/08/80/03/332088003.db2.gz BNRVPHGUVBEMDK-UHFFFAOYSA-N 0 3 313.470 3.620 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1CC)C(C)C ZINC000410126228 332090265 /nfs/dbraw/zinc/09/02/65/332090265.db2.gz WWCLVZMVRBRHCP-ZWKOTPCHSA-N 0 3 321.509 3.659 20 30 DHEDHN C=CCN1CC[C@@H](N2CCCC[C@H]2c2cccc(C)c2C)C1=O ZINC000410387396 332122674 /nfs/dbraw/zinc/12/26/74/332122674.db2.gz NGCFEQCCDJZDNG-RBUKOAKNSA-N 0 3 312.457 3.617 20 30 DHEDHN C=CCN1CC[C@H](N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000410390792 332123142 /nfs/dbraw/zinc/12/31/42/332123142.db2.gz RRWZXPZOVNLSOD-CPUCHLNUSA-N 0 3 320.864 3.551 20 30 DHEDHN COc1ccc(CN2CCC(C)(C)C2)cc1OCCCC#N ZINC000093339936 332137698 /nfs/dbraw/zinc/13/76/98/332137698.db2.gz OYGVBADWVJFPMN-UHFFFAOYSA-N 0 3 302.418 3.610 20 30 DHEDHN C=CCNC(=O)Nc1ccc(SCCN2CCCCC2)cc1 ZINC000564940151 332141939 /nfs/dbraw/zinc/14/19/39/332141939.db2.gz RUUKNYVUSMZVOL-UHFFFAOYSA-N 0 3 319.474 3.572 20 30 DHEDHN C=CCN1CCC(NCc2ccc(Oc3ccccc3)o2)CC1 ZINC000180904299 332144877 /nfs/dbraw/zinc/14/48/77/332144877.db2.gz PWMZCOQPCOTXMF-UHFFFAOYSA-N 0 3 312.413 3.812 20 30 DHEDHN C=CCCCN[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000448025522 332192093 /nfs/dbraw/zinc/19/20/93/332192093.db2.gz DOOHXPDDRRYUBX-LBPRGKRZSA-N 0 3 304.825 3.846 20 30 DHEDHN CC1(C)CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCC[C@@H]21 ZINC000559427739 332257941 /nfs/dbraw/zinc/25/79/41/332257941.db2.gz VSEBLBDJSSZGIB-JKSUJKDBSA-N 0 3 322.412 3.619 20 30 DHEDHN C=C(C)CNCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000119655683 332260138 /nfs/dbraw/zinc/26/01/38/332260138.db2.gz ZSFZVQWBLMCMHT-UHFFFAOYSA-N 0 3 318.424 3.659 20 30 DHEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000292908154 335097927 /nfs/dbraw/zinc/09/79/27/335097927.db2.gz VLDZYWGNKSTGNW-SJLPKXTDSA-N 0 3 314.473 3.758 20 30 DHEDHN Cc1cccc([C@@H](C)NCc2cnc3ccc(C#N)cn23)c1C ZINC000560255165 332323665 /nfs/dbraw/zinc/32/36/65/332323665.db2.gz ICMUUZKFPDBHOS-OAHLLOKOSA-N 0 3 304.397 3.674 20 30 DHEDHN N#Cc1ccc2ncc(CN3CCC[C@@H](c4ccccc4)C3)n2c1 ZINC000560542461 332355701 /nfs/dbraw/zinc/35/57/01/332355701.db2.gz SQZCNHGLCSLPIU-GOSISDBHSA-N 0 3 316.408 3.586 20 30 DHEDHN C[C@H]1Cc2ccccc2N1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000562095710 332545755 /nfs/dbraw/zinc/54/57/55/332545755.db2.gz JUSOVXLNQXFIQZ-YWZLYKJASA-N 0 3 317.436 3.586 20 30 DHEDHN C=CCOCCN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000293783824 335117399 /nfs/dbraw/zinc/11/73/99/335117399.db2.gz LZBDHFIAVLMAQD-MRXNPFEDSA-N 0 3 312.413 3.514 20 30 DHEDHN CCN(CC#Cc1cccc(Cl)c1)[C@H]1CCOC(C)(C)C1 ZINC000580248994 333040854 /nfs/dbraw/zinc/04/08/54/333040854.db2.gz YKHPWOSCSFQQDK-KRWDZBQOSA-N 0 3 305.849 3.971 20 30 DHEDHN COC[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000172123261 333058936 /nfs/dbraw/zinc/05/89/36/333058936.db2.gz CPBRZDUMILWCOA-FQEVSTJZSA-N 0 3 323.440 3.514 20 30 DHEDHN CCOc1ccccc1N1CCN(CCCC(C)(C)C#N)CC1 ZINC000174807665 333091116 /nfs/dbraw/zinc/09/11/16/333091116.db2.gz JMBGZDQPSLQNSI-UHFFFAOYSA-N 0 3 315.461 3.537 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C(C)(C)C)c2)CC1 ZINC000582130474 333133191 /nfs/dbraw/zinc/13/31/91/333133191.db2.gz FKCQMBLZAWOHJJ-UHFFFAOYSA-N 0 3 314.473 3.754 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000187950036 333154426 /nfs/dbraw/zinc/15/44/26/333154426.db2.gz HXMAGGVZAKCJTF-FXAWDEMLSA-N 0 3 314.473 3.712 20 30 DHEDHN CC1(C)Cc2occc2[C@@H](NCc2ccc(OCC#N)cc2)C1 ZINC000180556929 333163194 /nfs/dbraw/zinc/16/31/94/333163194.db2.gz LCAOCBYAUJVISX-KRWDZBQOSA-N 0 3 310.397 3.985 20 30 DHEDHN N#CC1CCC(CN[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367620828 333183376 /nfs/dbraw/zinc/18/33/76/333183376.db2.gz YMVXTWCYTJHAHF-VMBOVVBDSA-N 0 3 300.450 3.951 20 30 DHEDHN CC[C@H](CC#N)NC1CCN(Cc2ccccc2Cl)CC1 ZINC000184085595 333191804 /nfs/dbraw/zinc/19/18/04/333191804.db2.gz HRCXBYPVICNPOH-OAHLLOKOSA-N 0 3 305.853 3.586 20 30 DHEDHN C=CC(C)(C)CN[C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000497172373 333201774 /nfs/dbraw/zinc/20/17/74/333201774.db2.gz LTYXHIUCEIIMHL-CYBMUJFWSA-N 0 3 319.449 3.713 20 30 DHEDHN CC(C)CC(=O)Nc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185801478 333214350 /nfs/dbraw/zinc/21/43/50/333214350.db2.gz IRVYTOAINRVVST-WBVHZDCISA-N 0 3 313.445 3.843 20 30 DHEDHN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(C(F)(F)F)c1 ZINC000185808210 333214523 /nfs/dbraw/zinc/21/45/23/333214523.db2.gz IWAMEGLUUANRJH-AAEUAGOBSA-N 0 3 312.335 3.886 20 30 DHEDHN CCN(C[C@H](C)C#N)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000497255278 333227963 /nfs/dbraw/zinc/22/79/63/333227963.db2.gz WZJXTOVCSBINNJ-PMPSAXMXSA-N 0 3 323.481 3.504 20 30 DHEDHN CN(CCCCC#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364108202 333239580 /nfs/dbraw/zinc/23/95/80/333239580.db2.gz AFHBGJWMAXCORV-CQSZACIVSA-N 0 3 323.234 3.898 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](c1ccccc1)C(C)C ZINC000497424313 333249629 /nfs/dbraw/zinc/24/96/29/333249629.db2.gz BROBJSVYEXVJLZ-LJQANCHMSA-N 0 3 302.462 3.740 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000497496169 333256657 /nfs/dbraw/zinc/25/66/57/333256657.db2.gz UFSYPEUIYBAJFJ-LJQANCHMSA-N 0 3 324.399 3.783 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@H](OC)C(C)(C)C2)cc1OC ZINC000294919257 335130494 /nfs/dbraw/zinc/13/04/94/335130494.db2.gz FLWUKGRETPEQNW-GOSISDBHSA-N 0 3 319.445 3.507 20 30 DHEDHN C=CCC[C@H](O)CN1CC=C(c2cncc3ccccc32)CC1 ZINC000364277619 333281752 /nfs/dbraw/zinc/28/17/52/333281752.db2.gz CUVDZFGKDJKGNM-SFHVURJKSA-N 0 3 308.425 3.651 20 30 DHEDHN CCN1CCN(c2cccc(NCC(C)(C)CCC#N)c2)CC1 ZINC000191885223 333283294 /nfs/dbraw/zinc/28/32/94/333283294.db2.gz JDSUHESGWCESRM-UHFFFAOYSA-N 0 3 314.477 3.570 20 30 DHEDHN CC(C)c1ccccc1NC(=O)C[C@@H](C)NCC1(CC#N)CC1 ZINC000430739740 335131558 /nfs/dbraw/zinc/13/15/58/335131558.db2.gz FBKXIZPEOXGWGV-OAHLLOKOSA-N 0 3 313.445 3.811 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2cc(F)cc(Br)c2)C1 ZINC000192709617 333291814 /nfs/dbraw/zinc/29/18/14/333291814.db2.gz XPKXELMQKHQBLT-HZMBPMFUSA-N 0 3 311.198 3.760 20 30 DHEDHN C=CCN1CCC([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000185383925 335132326 /nfs/dbraw/zinc/13/23/26/335132326.db2.gz IFHSNRILMWJYDF-OAHLLOKOSA-N 0 3 314.473 3.572 20 30 DHEDHN COc1cccc(C2CCN(CCCSCC#N)CC2)c1F ZINC000364434412 333314471 /nfs/dbraw/zinc/31/44/71/333314471.db2.gz MSTANKQJFWWHOL-UHFFFAOYSA-N 0 3 322.449 3.661 20 30 DHEDHN CC(C)N(CCOc1cccc(C#N)c1)Cc1cccc(F)c1 ZINC000514091201 333323415 /nfs/dbraw/zinc/32/34/15/333323415.db2.gz YDRBGLWVMFNNBH-UHFFFAOYSA-N 0 3 312.388 3.987 20 30 DHEDHN C=CCN(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000110106817 333326461 /nfs/dbraw/zinc/32/64/61/333326461.db2.gz IYHBFQUOWPYJDW-UHFFFAOYSA-N 0 3 304.393 3.716 20 30 DHEDHN C=CC1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000111257977 333328189 /nfs/dbraw/zinc/32/81/89/333328189.db2.gz GXEDAUFINYTRNN-UHFFFAOYSA-N 0 3 324.424 3.608 20 30 DHEDHN C[C@H](NCCOc1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000540707780 333340237 /nfs/dbraw/zinc/34/02/37/333340237.db2.gz NKDXIZPRPXFYCQ-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)nc1 ZINC000390838059 333398466 /nfs/dbraw/zinc/39/84/66/333398466.db2.gz BAORNAWOCPTNBJ-LJQANCHMSA-N 0 3 320.440 3.666 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC(c2noc(C3CC3)n2)CC1 ZINC000365230085 333399591 /nfs/dbraw/zinc/39/95/91/333399591.db2.gz XGZMDQYBWIEWSM-UHFFFAOYSA-N 0 3 316.449 3.846 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000296439134 335144585 /nfs/dbraw/zinc/14/45/85/335144585.db2.gz MFXBCQSOFDJCBO-OAHLLOKOSA-N 0 3 322.408 3.508 20 30 DHEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3ccccc3Cl)CC2)C1 ZINC000339052347 333507336 /nfs/dbraw/zinc/50/73/36/333507336.db2.gz OFNBWKYSVYSTRJ-UONOGXRCSA-N 0 3 304.821 3.875 20 30 DHEDHN C=CCN(CC=C)[C@H](CNc1ccc(Cl)c(C#N)n1)C(C)C ZINC000110085400 333556659 /nfs/dbraw/zinc/55/66/59/333556659.db2.gz FIWDFPQBVVHIHY-MRXNPFEDSA-N 0 3 318.852 3.717 20 30 DHEDHN C[C@@H](CCC#N)N[C@H]1CCOc2c(Br)cccc21 ZINC000411689567 333701977 /nfs/dbraw/zinc/70/19/77/333701977.db2.gz DAECQYRXDSFUHE-GWCFXTLKSA-N 0 3 309.207 3.555 20 30 DHEDHN COc1cc(OC)c([C@@H](C)NCC(C)(C)CC#N)cc1Cl ZINC000414167990 333916847 /nfs/dbraw/zinc/91/68/47/333916847.db2.gz QARGCGVDCXOZFM-LLVKDONJSA-N 0 3 310.825 3.948 20 30 DHEDHN N#CCc1ccc(CN(CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000343419566 335163336 /nfs/dbraw/zinc/16/33/36/335163336.db2.gz LVPGKFDMXRHEQG-NRFANRHFSA-N 0 3 320.436 3.625 20 30 DHEDHN CCOc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000264382601 333956719 /nfs/dbraw/zinc/95/67/19/333956719.db2.gz OZOFDYUXHKHHEL-OAHLLOKOSA-N 0 3 310.397 3.838 20 30 DHEDHN N#CCSCCCN1CCC(=Cc2ccccc2F)CC1 ZINC000268313640 333990467 /nfs/dbraw/zinc/99/04/67/333990467.db2.gz IRONEACKBHPQLD-UHFFFAOYSA-N 0 3 304.434 3.952 20 30 DHEDHN C=CC[C@@H](Cc1ccccc1)NCc1ncc(COC)s1 ZINC000414541041 334013418 /nfs/dbraw/zinc/01/34/18/334013418.db2.gz VRDQYOAZAPBJGU-HNNXBMFYSA-N 0 3 302.443 3.567 20 30 DHEDHN C[C@H](Cc1cn(C)c2ccc(F)cc12)NCc1ccc(C#N)o1 ZINC000414563883 334020945 /nfs/dbraw/zinc/02/09/45/334020945.db2.gz DFMHMERXJRYYGZ-GFCCVEGCSA-N 0 3 311.360 3.503 20 30 DHEDHN C[C@H](NCCCSCC#N)c1ccccc1OC(F)F ZINC000271751420 334026224 /nfs/dbraw/zinc/02/62/24/334026224.db2.gz KPAGSEWWIWFKCZ-NSHDSACASA-N 0 3 300.374 3.585 20 30 DHEDHN C[C@H](NCc1cccc(N(C)C)c1)c1ccc(OCC#N)cc1 ZINC000271869545 334027700 /nfs/dbraw/zinc/02/77/00/334027700.db2.gz VXWCKMZPEOPXJC-HNNXBMFYSA-N 0 3 309.413 3.506 20 30 DHEDHN C=C(C)COc1cc(CN[C@@H]2C[C@H]2c2ccco2)ccc1OC ZINC000414595505 334032858 /nfs/dbraw/zinc/03/28/58/334032858.db2.gz TUOOCPDLNZHZSQ-HZPDHXFCSA-N 0 3 313.397 3.889 20 30 DHEDHN COc1cc(CNCCCC#N)ccc1OCc1cccs1 ZINC000273121854 334043425 /nfs/dbraw/zinc/04/34/25/334043425.db2.gz ZNRQLKVKQZQVQU-UHFFFAOYSA-N 0 3 316.426 3.729 20 30 DHEDHN CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000273449380 334046914 /nfs/dbraw/zinc/04/69/14/334046914.db2.gz OJKOPLQQZWNJRR-QGZVFWFLSA-N 0 3 319.449 3.658 20 30 DHEDHN CN(Cc1ccc(C#N)o1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273467558 334047477 /nfs/dbraw/zinc/04/74/77/334047477.db2.gz INVWRMVQTBTLNT-QAPCUYQASA-N 0 3 314.360 3.642 20 30 DHEDHN COC(=O)c1ccc(-c2ccc(CNCCCCC#N)o2)cc1 ZINC000274842977 334066947 /nfs/dbraw/zinc/06/69/47/334066947.db2.gz MTOQLGPYXKCTBT-UHFFFAOYSA-N 0 3 312.369 3.517 20 30 DHEDHN CCOc1cc(CN(C)[C@@H](C)CCC#N)ccc1OC(F)F ZINC000276314686 334075547 /nfs/dbraw/zinc/07/55/47/334075547.db2.gz NDCWSQRZBJDARS-LBPRGKRZSA-N 0 3 312.360 3.811 20 30 DHEDHN Cc1c(Cl)cnc(NC[C@H](c2ccccc2)N(C)C)c1C#N ZINC000343504905 335172164 /nfs/dbraw/zinc/17/21/64/335172164.db2.gz CQIKESWTKQQELC-MRXNPFEDSA-N 0 3 314.820 3.630 20 30 DHEDHN CN(CCCCC(C)(C)C#N)C[C@H]1OCCc2ccccc21 ZINC000277873508 334091539 /nfs/dbraw/zinc/09/15/39/334091539.db2.gz YRZQZEZSHPYWAT-GOSISDBHSA-N 0 3 300.446 3.952 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278342484 334095468 /nfs/dbraw/zinc/09/54/68/334095468.db2.gz CFRJXWKYXFWHOQ-OAHLLOKOSA-N 0 3 319.424 3.784 20 30 DHEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2=CCCCCC2)cc1 ZINC000280065734 334113987 /nfs/dbraw/zinc/11/39/87/334113987.db2.gz PYFNAEWBMVSCOA-LJQANCHMSA-N 0 3 321.424 3.637 20 30 DHEDHN CC(C)[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280434567 334117379 /nfs/dbraw/zinc/11/73/79/334117379.db2.gz MPBYMWKGPRQBNH-MOPGFXCFSA-N 0 3 323.440 3.525 20 30 DHEDHN COc1ccc(F)cc1[C@H](C)NCCCC1(C#N)CCOCC1 ZINC000281151178 334123646 /nfs/dbraw/zinc/12/36/46/334123646.db2.gz BICIQBHGDQBVEB-AWEZNQCLSA-N 0 3 320.408 3.585 20 30 DHEDHN CC[N@H+](CCCC1(C#N)CCOCC1)[C@H](C)c1cccc([O-])c1 ZINC000282112556 334131434 /nfs/dbraw/zinc/13/14/34/334131434.db2.gz XCDSGOGCSHXYBT-MRXNPFEDSA-N 0 3 316.445 3.876 20 30 DHEDHN CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H](C)c1cccc([O-])c1 ZINC000282112556 334131435 /nfs/dbraw/zinc/13/14/35/334131435.db2.gz XCDSGOGCSHXYBT-MRXNPFEDSA-N 0 3 316.445 3.876 20 30 DHEDHN CN(C)C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000283453219 334140411 /nfs/dbraw/zinc/14/04/11/334140411.db2.gz URLBSUHJZAPXEC-JQFCIGGWSA-N 0 3 305.853 3.615 20 30 DHEDHN CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000287743526 334158478 /nfs/dbraw/zinc/15/84/78/334158478.db2.gz YVMGUPSNWWKRPR-BPUTZDHNSA-N 0 3 302.418 3.827 20 30 DHEDHN C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)CCOCCC#N ZINC000293508214 334198520 /nfs/dbraw/zinc/19/85/20/334198520.db2.gz OELLSSNPCRWUBE-LBPRGKRZSA-N 0 3 300.324 3.628 20 30 DHEDHN C=CCOc1ccccc1CNCc1ccc2c(c1)CCCN2 ZINC000414973791 334220974 /nfs/dbraw/zinc/22/09/74/334220974.db2.gz JANYHEHYCJGSEA-UHFFFAOYSA-N 0 3 308.425 3.899 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCCN(c3ccccc3Cl)CC2)C1 ZINC000296123389 334230104 /nfs/dbraw/zinc/23/01/04/334230104.db2.gz YOQFNJXSLBHVKC-CABCVRRESA-N 0 3 303.837 3.544 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000297933670 334244969 /nfs/dbraw/zinc/24/49/69/334244969.db2.gz RJFSFICBQSEJIM-SJLPKXTDSA-N 0 3 317.864 3.540 20 30 DHEDHN COc1cccc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)c1 ZINC000298703766 334250692 /nfs/dbraw/zinc/25/06/92/334250692.db2.gz QMONIHUABMMKKO-MRXNPFEDSA-N 0 3 323.440 3.896 20 30 DHEDHN N#CC(C(=O)c1ccc(Cl)s1)c1nc2ccccc2[nH]1 ZINC000048520490 334287262 /nfs/dbraw/zinc/28/72/62/334287262.db2.gz SEPZKGSCNBJRGU-MRVPVSSYSA-N 0 3 301.758 3.768 20 30 DHEDHN CN(CCOc1ccccc1C#N)Cc1ccc(Cl)cc1 ZINC000048554155 334289785 /nfs/dbraw/zinc/28/97/85/334289785.db2.gz DTIPHORBGJIVIS-UHFFFAOYSA-N 0 3 300.789 3.722 20 30 DHEDHN CC(C)N(CCOc1cccc(C#N)c1)Cc1cccs1 ZINC000049028814 334309373 /nfs/dbraw/zinc/30/93/73/334309373.db2.gz PPYCQBMSVFASLU-UHFFFAOYSA-N 0 3 300.427 3.909 20 30 DHEDHN N#Cc1cccc(CN2CC[C@H](Oc3cccc(Cl)c3)C2)c1 ZINC000534654931 334313402 /nfs/dbraw/zinc/31/34/02/334313402.db2.gz XBPVDYDZXOIVTJ-SFHVURJKSA-N 0 3 312.800 3.865 20 30 DHEDHN COc1ccc(CN2CCSC3(CCCCC3)C2)cc1C#N ZINC000534660135 334315838 /nfs/dbraw/zinc/31/58/38/334315838.db2.gz UDZNWKBWFVVWFG-UHFFFAOYSA-N 0 3 316.470 3.819 20 30 DHEDHN CC[C@H](C)[C@H](C)N(Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000535206705 334380297 /nfs/dbraw/zinc/38/02/97/334380297.db2.gz OVDQTMYSBKMTDJ-KBPBESRZSA-N 0 3 314.429 3.744 20 30 DHEDHN Cc1nsc(SCCN(C)Cc2ccccc2)c1C#N ZINC000340932961 334394720 /nfs/dbraw/zinc/39/47/20/334394720.db2.gz UBZNVMDFAQKIPV-UHFFFAOYSA-N 0 3 303.456 3.547 20 30 DHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415582098 334615541 /nfs/dbraw/zinc/61/55/41/334615541.db2.gz OLFRUOVXQLGUTH-CABCVRRESA-N 0 3 315.461 3.753 20 30 DHEDHN C=C(CNC(=O)C[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000416231964 334655724 /nfs/dbraw/zinc/65/57/24/334655724.db2.gz DHKAWVAETBUZOQ-LJQANCHMSA-N 0 3 308.425 3.509 20 30 DHEDHN C[C@@H](CN1CCCCC1)NC(=O)c1coc(C2CCCCC2)n1 ZINC000328752226 334752031 /nfs/dbraw/zinc/75/20/31/334752031.db2.gz RJVZTEFGEKEXCE-AWEZNQCLSA-N 0 3 319.449 3.901 20 30 DHEDHN C[C@@H](N[C@@H](CO)CC1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000417369863 334764804 /nfs/dbraw/zinc/76/48/04/334764804.db2.gz RTVCAAKJOGDSCH-CXAGYDPISA-N 0 3 304.409 3.679 20 30 DHEDHN Cc1cc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)ccc1C#N ZINC000443964118 338464505 /nfs/dbraw/zinc/46/45/05/338464505.db2.gz IVZGMRZHCYNKEY-UXHICEINSA-N 0 3 306.409 3.877 20 30 DHEDHN C=C(C)COc1cc(CN(C)CCCSC)ccc1OC ZINC000343684685 335188092 /nfs/dbraw/zinc/18/80/92/335188092.db2.gz SXFHUKUYFCJWOA-UHFFFAOYSA-N 0 3 309.475 3.835 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2cccc3ccsc32)nc(C)n1 ZINC000343923357 335202196 /nfs/dbraw/zinc/20/21/96/335202196.db2.gz JGXLCJRLUPEMAJ-AWEZNQCLSA-N 0 3 307.378 3.798 20 30 DHEDHN CC[C@@H](N[C@H]1COc2ccc(F)cc2C1)c1ccc(C#N)cc1 ZINC000343924286 335202457 /nfs/dbraw/zinc/20/24/57/335202457.db2.gz HLJSRRJHRKVREW-QZTJIDSGSA-N 0 3 310.372 3.742 20 30 DHEDHN CC1(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)COC1 ZINC000345939590 335362624 /nfs/dbraw/zinc/36/26/24/335362624.db2.gz UKDFZJBQYGZUII-UHFFFAOYSA-N 0 3 324.399 3.736 20 30 DHEDHN C[C@@H](NCc1ccccc1-n1ccnc1)c1ccc(C#N)c(F)c1 ZINC000346137731 335379866 /nfs/dbraw/zinc/37/98/66/335379866.db2.gz MEVSEVSTYANIAR-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN C[C@H](N[C@H]1CCCC[C@@H]1n1cccn1)c1ccc(C#N)c(F)c1 ZINC000346149329 335382172 /nfs/dbraw/zinc/38/21/72/335382172.db2.gz DFISKSCEFIKJEA-KKXDTOCCSA-N 0 3 312.392 3.728 20 30 DHEDHN COc1cc(C#N)ccc1CN1CCC(n2c(C)ccc2C)CC1 ZINC000347226606 335481514 /nfs/dbraw/zinc/48/15/14/335481514.db2.gz GQRPQTWWJBVLLL-UHFFFAOYSA-N 0 3 323.440 3.822 20 30 DHEDHN CNC(=O)C1CCC(N[C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000329151467 335946380 /nfs/dbraw/zinc/94/63/80/335946380.db2.gz SIRLGOTVXHCJSY-HIFPTAJRSA-N 0 3 321.490 3.818 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H]2CCCC)CC1 ZINC000520693695 336021114 /nfs/dbraw/zinc/02/11/14/336021114.db2.gz MOOGVFFQNVWMFQ-AEFFLSMTSA-N 0 3 321.509 3.685 20 30 DHEDHN CCN(Cc1cnc2n[nH]c(C)c2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000351607500 336049757 /nfs/dbraw/zinc/04/97/57/336049757.db2.gz KRALYECNSPPSDY-AWEZNQCLSA-N 0 3 319.412 3.721 20 30 DHEDHN C[C@@H](NC(=O)c1coc(C2CCCCC2)n1)C1=CCN(C)CC1 ZINC000330178819 336120974 /nfs/dbraw/zinc/12/09/74/336120974.db2.gz LXSAIUKOVPGHBE-CYBMUJFWSA-N 0 3 317.433 3.677 20 30 DHEDHN Cc1cccc(NC(=O)[C@@H](C)NC[C@H]2CCO[C@@H]2C(C)C)c1 ZINC000330295367 336136704 /nfs/dbraw/zinc/13/67/04/336136704.db2.gz JGNYAFKZFCMBJX-BFYDXBDKSA-N 0 3 304.434 3.622 20 30 DHEDHN CC(C)c1nc([C@H]2CCCN(Cc3ccc(CC#N)cc3)C2)no1 ZINC000332318718 336168125 /nfs/dbraw/zinc/16/81/25/336168125.db2.gz NFZWONOPLLHZBC-KRWDZBQOSA-N 0 3 324.428 3.639 20 30 DHEDHN C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(CN(C)C)c1 ZINC000352197355 336200942 /nfs/dbraw/zinc/20/09/42/336200942.db2.gz QNPIHHUCJMRLQH-UHFFFAOYSA-N 0 3 322.452 3.967 20 30 DHEDHN N#Cc1csc(CN[C@H]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000352804300 336240888 /nfs/dbraw/zinc/24/08/88/336240888.db2.gz WJIIHKQNERFPOK-HNNXBMFYSA-N 0 3 313.401 3.880 20 30 DHEDHN C=CCCCCCN(C)CC(=O)NCc1ccc(Cl)s1 ZINC000532414052 336245650 /nfs/dbraw/zinc/24/56/50/336245650.db2.gz GGFNTUDRYNSBEZ-UHFFFAOYSA-N 0 3 314.882 3.696 20 30 DHEDHN CC(C)(CNCc1ccc(C#N)cc1F)c1ccccc1F ZINC000532588105 336256712 /nfs/dbraw/zinc/25/67/12/336256712.db2.gz PAZHFWQSOGTBAR-UHFFFAOYSA-N 0 3 300.352 3.904 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000192750052 336260367 /nfs/dbraw/zinc/26/03/67/336260367.db2.gz HPXJLXPRYIHMPA-DOTOQJQBSA-N 0 3 323.396 3.704 20 30 DHEDHN N#Cc1ccc(CNC[C@H]2CCCS2)c(C(F)(F)F)c1 ZINC000352829454 336267570 /nfs/dbraw/zinc/26/75/70/336267570.db2.gz BKLFYHLOZWPAKH-GFCCVEGCSA-N 0 3 300.349 3.562 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000532764108 336269900 /nfs/dbraw/zinc/26/99/00/336269900.db2.gz UPBVHPPKKNZING-CQSZACIVSA-N 0 3 308.381 3.522 20 30 DHEDHN N#Cc1ccc(CNCCOc2ccccc2Cl)c(F)c1 ZINC000532784290 336271057 /nfs/dbraw/zinc/27/10/57/336271057.db2.gz GHUXEOUEVVFFPT-UHFFFAOYSA-N 0 3 304.752 3.519 20 30 DHEDHN CN(C)[C@@H](CNc1cc(Cl)ccc1C#N)c1cccs1 ZINC000301215193 336295293 /nfs/dbraw/zinc/29/52/93/336295293.db2.gz ZFNIRCNMIHTPBI-AWEZNQCLSA-N 0 3 305.834 3.988 20 30 DHEDHN CN(CCNc1c(F)cc(C#N)cc1F)Cc1ccc(F)cc1 ZINC000301526645 336312526 /nfs/dbraw/zinc/31/25/26/336312526.db2.gz JIQPEYYNKDOLSZ-UHFFFAOYSA-N 0 3 319.330 3.519 20 30 DHEDHN CN1CCC[C@H](CNc2ccc(C#N)nc2)[C@@H]1c1cccs1 ZINC000301584336 336316504 /nfs/dbraw/zinc/31/65/04/336316504.db2.gz VPXPSYLXLODORG-CXAGYDPISA-N 0 3 312.442 3.510 20 30 DHEDHN CN(CCC1CCN(c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000301983925 336341304 /nfs/dbraw/zinc/34/13/04/336341304.db2.gz SBZNCZJZPRIVSM-UHFFFAOYSA-N 0 3 320.440 3.696 20 30 DHEDHN C=C(C)CN1CCC(Nc2ccnc3c(OC)cccc23)CC1 ZINC000302519699 336360770 /nfs/dbraw/zinc/36/07/70/336360770.db2.gz IJXPXXLQGZHPOM-UHFFFAOYSA-N 0 3 311.429 3.696 20 30 DHEDHN Cc1ccc(N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)nc1C#N ZINC000302610364 336362530 /nfs/dbraw/zinc/36/25/30/336362530.db2.gz DUIKRAHXMOZCEN-AEFFLSMTSA-N 0 3 320.440 3.727 20 30 DHEDHN C=CCc1cc(CNCc2cccs2)cc(OC)c1OC ZINC000105478260 336387676 /nfs/dbraw/zinc/38/76/76/336387676.db2.gz ZRLOCXVQLWLCOY-UHFFFAOYSA-N 0 3 303.427 3.784 20 30 DHEDHN C=CCOc1cccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000353188579 336405950 /nfs/dbraw/zinc/40/59/50/336405950.db2.gz HNFRWENTUTYBJB-LEWJYISDSA-N 0 3 323.436 3.507 20 30 DHEDHN Cc1cccc2c1OCC[C@@H]2N[C@H]1CCc2ccc(C#N)cc21 ZINC000353635935 336430709 /nfs/dbraw/zinc/43/07/09/336430709.db2.gz NZDQKNVDGOLTAH-OALUTQOASA-N 0 3 304.393 3.967 20 30 DHEDHN C=C(C)COCCN[C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000358302455 336622735 /nfs/dbraw/zinc/62/27/35/336622735.db2.gz QZDJCSBWTGYMAO-GOSISDBHSA-N 0 3 301.430 3.571 20 30 DHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000358319211 336623824 /nfs/dbraw/zinc/62/38/24/336623824.db2.gz NUPDYHAVMYGPTB-KGLIPLIRSA-N 0 3 307.459 3.628 20 30 DHEDHN C[C@@H](NC[C@H](c1ccsc1)N(C)C)c1ccc(C#N)cc1F ZINC000358556572 336634414 /nfs/dbraw/zinc/63/44/14/336634414.db2.gz MMRWEJMBCSQOGB-SJKOYZFVSA-N 0 3 317.433 3.712 20 30 DHEDHN C[C@H](NCc1cccc(CN(C)C)c1)c1ccc(C#N)cc1F ZINC000358566993 336634928 /nfs/dbraw/zinc/63/49/28/336634928.db2.gz IQAVHEXAVFHGCF-AWEZNQCLSA-N 0 3 311.404 3.610 20 30 DHEDHN C=CCCC1(C(=O)NC[C@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000359534740 336676546 /nfs/dbraw/zinc/67/65/46/336676546.db2.gz BXQPMUJGPBDEFW-GJZGRUSLSA-N 0 3 304.434 3.571 20 30 DHEDHN C=C(CNC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000360211107 336704640 /nfs/dbraw/zinc/70/46/40/336704640.db2.gz BHHKAIWSYQUMPJ-UHFFFAOYSA-N 0 3 320.436 3.726 20 30 DHEDHN C[C@H]1CC(C)(C)CC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000360274126 336706967 /nfs/dbraw/zinc/70/69/67/336706967.db2.gz KANSBUABQHTOGF-XJKSGUPXSA-N 0 3 324.428 3.913 20 30 DHEDHN N#Cc1cccc(OCCN2CCC(c3ccsc3)CC2)c1 ZINC000362656555 336808278 /nfs/dbraw/zinc/80/82/78/336808278.db2.gz LZPVCNRIAKXBCY-UHFFFAOYSA-N 0 3 312.438 3.878 20 30 DHEDHN CCN(CC)Cc1cccc(NC(=O)c2ccc(C#N)s2)c1 ZINC000362965217 336816609 /nfs/dbraw/zinc/81/66/09/336816609.db2.gz ANIBRKCYRKCLNN-UHFFFAOYSA-N 0 3 313.426 3.714 20 30 DHEDHN Cc1ccccc1C1(O)CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000369810709 336872095 /nfs/dbraw/zinc/87/20/95/336872095.db2.gz MFISYDSZTKBTDD-QGZVFWFLSA-N 0 3 320.436 3.911 20 30 DHEDHN CC(C)Cn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418146482 336896902 /nfs/dbraw/zinc/89/69/02/336896902.db2.gz PNLFOIAXRUCLFU-IBGZPJMESA-N 0 3 308.429 3.578 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC(c2cn[nH]c2)CC1 ZINC000372018567 336919109 /nfs/dbraw/zinc/91/91/09/336919109.db2.gz IBYUHCDOELVTJA-UHFFFAOYSA-N 0 3 308.429 3.590 20 30 DHEDHN C=CCCCN[C@@H](c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000372487185 336932763 /nfs/dbraw/zinc/93/27/63/336932763.db2.gz ZVAKDCMEUIZOOQ-MRXNPFEDSA-N 0 3 307.800 3.858 20 30 DHEDHN N#CCSCCCN1CCC(c2cccc(F)c2F)CC1 ZINC000376066691 337026164 /nfs/dbraw/zinc/02/61/64/337026164.db2.gz JBWKDKCRKMZMLF-UHFFFAOYSA-N 0 3 310.413 3.791 20 30 DHEDHN N#CCCCCN1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000376557840 337036815 /nfs/dbraw/zinc/03/68/15/337036815.db2.gz LJVRPWSQBZQPEL-KRWDZBQOSA-N 0 3 321.465 3.594 20 30 DHEDHN CC(C)CSCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000376596477 337037518 /nfs/dbraw/zinc/03/75/18/337037518.db2.gz VNVSETJGHKWCDZ-UHFFFAOYSA-N 0 3 317.502 3.718 20 30 DHEDHN N#CC1(c2ccccn2)CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000376739583 337040215 /nfs/dbraw/zinc/04/02/15/337040215.db2.gz KAROBAKOXBIRIM-UHFFFAOYSA-N 0 3 316.408 3.620 20 30 DHEDHN CN1CC[C@H](NCCC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377679602 337058165 /nfs/dbraw/zinc/05/81/65/337058165.db2.gz ZBLGWSDVFHPFFJ-JKSUJKDBSA-N 0 3 323.843 3.754 20 30 DHEDHN N#Cc1ccc(CN2CC=C(c3ccnc4[nH]ccc43)CC2)cc1 ZINC000378444675 337073004 /nfs/dbraw/zinc/07/30/04/337073004.db2.gz XVHOKTRAIJNDGM-UHFFFAOYSA-N 0 3 314.392 3.724 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](n2cc3ccccc3n2)C1 ZINC000378574141 337075898 /nfs/dbraw/zinc/07/58/98/337075898.db2.gz GGTDEUIDTBYLDB-BEFAXECRSA-N 0 3 316.408 3.916 20 30 DHEDHN C=CCC[C@H](O)CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360037901 337084119 /nfs/dbraw/zinc/08/41/19/337084119.db2.gz SLDWHHVJMYGRIT-GOEBONIOSA-N 0 3 300.402 3.682 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000583700419 337086128 /nfs/dbraw/zinc/08/61/28/337086128.db2.gz AWNRGNYOADPYJZ-SNVBAGLBSA-N 0 3 300.324 3.705 20 30 DHEDHN C=CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175731939 337147224 /nfs/dbraw/zinc/14/72/24/337147224.db2.gz SKVMTBAFCJNUAE-IEBWSBKVSA-N 0 3 314.473 3.854 20 30 DHEDHN C=CCCCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000175779421 337149178 /nfs/dbraw/zinc/14/91/78/337149178.db2.gz MLFSBICGTMXCQN-WMLDXEAASA-N 0 3 306.475 3.604 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc([C@H](C)O)cc2)cc1 ZINC000178548065 337163293 /nfs/dbraw/zinc/16/32/93/337163293.db2.gz YEXFSZPJGRYLBW-HOTGVXAUSA-N 0 3 309.409 3.603 20 30 DHEDHN C=CCC[C@@H](CO)NCc1ccc(Br)c(Cl)c1 ZINC000321058564 337190570 /nfs/dbraw/zinc/19/05/70/337190570.db2.gz XSXLTNMQRMFBDP-NSHDSACASA-N 0 3 318.642 3.519 20 30 DHEDHN COc1ccc(CN(Cc2cc(C#N)n(C)c2)[C@@H](C)C2CC2)cc1 ZINC000191190101 337294023 /nfs/dbraw/zinc/29/40/23/337294023.db2.gz GPDYVQFLWAVQAS-HNNXBMFYSA-N 0 3 323.440 3.706 20 30 DHEDHN C=CCOc1ccc(CN2CCSCC[C@@H]2C)cc1OC ZINC000191815712 337300332 /nfs/dbraw/zinc/30/03/32/337300332.db2.gz HESKOTUTDKSCDP-AWEZNQCLSA-N 0 3 307.459 3.587 20 30 DHEDHN C=CCC1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC1 ZINC000191825585 337301615 /nfs/dbraw/zinc/30/16/15/337301615.db2.gz WDVAIQGAFAXDIM-GOSISDBHSA-N 0 3 312.457 3.514 20 30 DHEDHN N#Cc1ccc(CN(CCCO)[C@H]2CCc3ccccc32)cc1F ZINC000192059104 337302294 /nfs/dbraw/zinc/30/22/94/337302294.db2.gz VQDYTUCJTBIQKF-FQEVSTJZSA-N 0 3 324.399 3.569 20 30 DHEDHN N#Cc1ccc(CN(CCc2ccccc2)[C@H]2CCOC2)cc1F ZINC000192064977 337302400 /nfs/dbraw/zinc/30/24/00/337302400.db2.gz QCJGNKWXRODTGB-IBGZPJMESA-N 0 3 324.399 3.531 20 30 DHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(-n2ccnc2)c1 ZINC000192172473 337303616 /nfs/dbraw/zinc/30/36/16/337303616.db2.gz JLIJYZOHWKVQGC-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418487069 337385537 /nfs/dbraw/zinc/38/55/37/337385537.db2.gz KOHSNNXZKUVHJS-RTBURBONSA-N 0 3 323.440 3.590 20 30 DHEDHN N#Cc1ccccc1CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118838018 337394173 /nfs/dbraw/zinc/39/41/73/337394173.db2.gz USXSTHKJSLZTHF-UHFFFAOYSA-N 0 3 316.408 3.814 20 30 DHEDHN CC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CC1(C)C ZINC000419318627 337479182 /nfs/dbraw/zinc/47/91/82/337479182.db2.gz NXBGXNPBOCTTCV-CABCVRRESA-N 0 3 310.401 3.523 20 30 DHEDHN CC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CC1(C)C ZINC000419327099 337479414 /nfs/dbraw/zinc/47/94/14/337479414.db2.gz ZBWAXQIFASDSSL-KBPBESRZSA-N 0 3 319.474 3.589 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2OCc2ccccc2)cc1F ZINC000421344848 337527685 /nfs/dbraw/zinc/52/76/85/337527685.db2.gz VEHWKCPWINERRE-VQTJNVASSA-N 0 3 324.399 3.925 20 30 DHEDHN Cc1ccc(Oc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)cc1 ZINC000424075292 337731187 /nfs/dbraw/zinc/73/11/87/337731187.db2.gz JFBSEBLKQRCPAM-GOSISDBHSA-N 0 3 323.396 3.747 20 30 DHEDHN Cc1cc(C)cc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527808420 337765485 /nfs/dbraw/zinc/76/54/85/337765485.db2.gz ACYOKTIXPPYLPH-UHFFFAOYSA-N 0 3 320.436 3.971 20 30 DHEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000537263676 337929485 /nfs/dbraw/zinc/92/94/85/337929485.db2.gz KHLVKSPJSFQAIG-KRWDZBQOSA-N 0 3 317.477 3.505 20 30 DHEDHN CC[C@H](CNCc1ccc(C#N)o1)Oc1cccc(Cl)c1 ZINC000537312946 337930536 /nfs/dbraw/zinc/93/05/36/337930536.db2.gz ZCKSNGDXHGSBDC-CYBMUJFWSA-N 0 3 304.777 3.752 20 30 DHEDHN CCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1F ZINC000515256701 337983746 /nfs/dbraw/zinc/98/37/46/337983746.db2.gz DYIHMZYXGHXLRM-SFHVURJKSA-N 0 3 310.372 3.873 20 30 DHEDHN C=CCOc1cccc(CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000428390468 338033517 /nfs/dbraw/zinc/03/35/17/338033517.db2.gz CFAWNBMQCYMBJD-IBGZPJMESA-N 0 3 301.430 3.642 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]32)c(Br)c1 ZINC000426522518 338034043 /nfs/dbraw/zinc/03/40/43/338034043.db2.gz KHFNEPRYEUJXBO-WFASDCNBSA-N 0 3 305.219 3.695 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1csc(C2CCCC2)n1 ZINC000429710353 338088152 /nfs/dbraw/zinc/08/81/52/338088152.db2.gz VZENRMQDDRLAIS-UHFFFAOYSA-N 0 3 307.507 3.740 20 30 DHEDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCC1(CC#N)CC1 ZINC000430019932 338093698 /nfs/dbraw/zinc/09/36/98/338093698.db2.gz OEODBUBEPNDDFH-UHFFFAOYSA-N 0 3 322.456 3.640 20 30 DHEDHN N#CCC1(CNCc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000430025492 338093891 /nfs/dbraw/zinc/09/38/91/338093891.db2.gz XBAZLFOPLOBQPU-UHFFFAOYSA-N 0 3 300.793 3.514 20 30 DHEDHN CC(C)(C)c1nn(-c2ccccc2)cc1CNCC1(CC#N)CC1 ZINC000430042600 338094374 /nfs/dbraw/zinc/09/43/74/338094374.db2.gz QSYQQGJAAIWINE-UHFFFAOYSA-N 0 3 322.456 3.953 20 30 DHEDHN C=CCc1cc(CN2CCC[C@@H](CSC)C2)cc(OC)c1O ZINC000430190639 338100354 /nfs/dbraw/zinc/10/03/54/338100354.db2.gz GSFQQQWBFACNOP-CQSZACIVSA-N 0 3 321.486 3.704 20 30 DHEDHN COc1cc([C@H](C)NCC2(CC#N)CC2)ccc1OC(F)F ZINC000430727663 338112554 /nfs/dbraw/zinc/11/25/54/338112554.db2.gz ZDMGUWLMPAYNHA-NSHDSACASA-N 0 3 310.344 3.641 20 30 DHEDHN C=CCN1CCC(NCc2csc(Cl)c2Cl)CC1 ZINC000432241018 338150040 /nfs/dbraw/zinc/15/00/40/338150040.db2.gz NINBQQOWIDGPFW-UHFFFAOYSA-N 0 3 305.274 3.795 20 30 DHEDHN CCN(C(=O)C(C#N)CCc1ccccc1)[C@H](C)c1cccnc1 ZINC000433351175 338193656 /nfs/dbraw/zinc/19/36/56/338193656.db2.gz FECKKNUKEZSUTK-AEFFLSMTSA-N 0 3 321.424 3.764 20 30 DHEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000433369831 338193843 /nfs/dbraw/zinc/19/38/43/338193843.db2.gz AGSCKNHBTOSEFV-AHRSYUTCSA-N 0 3 318.420 3.979 20 30 DHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccccc1Br ZINC000435723802 338246249 /nfs/dbraw/zinc/24/62/49/338246249.db2.gz ABBJGSTUKFYFCD-UKRRQHHQSA-N 0 3 310.235 3.520 20 30 DHEDHN CN(c1ccccc1)c1ccc(CNCC2(CC#N)CC2)cn1 ZINC000435781549 338248928 /nfs/dbraw/zinc/24/89/28/338248928.db2.gz LAYXOGILTLVJJK-UHFFFAOYSA-N 0 3 306.413 3.633 20 30 DHEDHN Cc1cc([C@@H]2CCCN2C(=O)C(C)C#N)ccc1Br ZINC000435973792 338254686 /nfs/dbraw/zinc/25/46/86/338254686.db2.gz GKRMTCASQQKVMD-RISCZKNCSA-N 0 3 321.218 3.581 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000436304721 338267899 /nfs/dbraw/zinc/26/78/99/338267899.db2.gz YZMABWDAPHZNGU-UMNHJUIQSA-N 0 3 320.380 3.794 20 30 DHEDHN CC(C#N)C(=O)N1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000438173866 338334803 /nfs/dbraw/zinc/33/48/03/338334803.db2.gz DCAUDSBOWPJDPI-JTNHKYCSSA-N 0 3 310.319 3.775 20 30 DHEDHN CCOC(=O)C[C@@](C)(NCc1ccc(C#N)cc1Cl)C(C)C ZINC000439442247 338369587 /nfs/dbraw/zinc/36/95/87/338369587.db2.gz SCWWPMJCXPZJGI-QGZVFWFLSA-N 0 3 322.836 3.669 20 30 DHEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(I)cc1 ZINC000157284515 338419441 /nfs/dbraw/zinc/41/94/41/338419441.db2.gz SBPRNQHECXXVSP-ZJUUUORDSA-N 0 3 301.171 3.516 20 30 DHEDHN N#C[C@H]1CC[C@H](NCc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000442792146 338431751 /nfs/dbraw/zinc/43/17/51/338431751.db2.gz LQCDIPDKODBKCR-ZFWWWQNUSA-N 0 3 311.360 3.795 20 30 DHEDHN COc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1OC1CCCC1 ZINC000442791587 338431761 /nfs/dbraw/zinc/43/17/61/338431761.db2.gz OBVDAFSNAMLUSF-HOCLYGCPSA-N 0 3 314.429 3.798 20 30 DHEDHN C=CCC[C@H](CCC)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446833666 338537455 /nfs/dbraw/zinc/53/74/55/338537455.db2.gz IATCMFQRSNXDSC-LBPRGKRZSA-N 0 3 302.378 3.696 20 30 DHEDHN N#Cc1ccc2ncc(CN[C@@H]3CCCc4c(F)cccc43)n2c1 ZINC000449353004 338616920 /nfs/dbraw/zinc/61/69/20/338616920.db2.gz XPPBBUITYWNEFY-GOSISDBHSA-N 0 3 320.371 3.512 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NC/C(C)=C/c1ccccc1OC(F)F ZINC000449517517 338633888 /nfs/dbraw/zinc/63/38/88/338633888.db2.gz GGICJEVBBIPOEP-KATLRKPDSA-N 0 3 309.356 3.624 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(OCCCC)c1 ZINC000449549464 338636882 /nfs/dbraw/zinc/63/68/82/338636882.db2.gz YEYGAIAGHRNSCC-SJORKVTESA-N 0 3 319.445 3.697 20 30 DHEDHN CC(C)(C#N)CCN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451304716 338728909 /nfs/dbraw/zinc/72/89/09/338728909.db2.gz JDTKJSNDGUBISP-AWEZNQCLSA-N 0 3 314.351 3.658 20 30 DHEDHN CCC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000451439837 338734806 /nfs/dbraw/zinc/73/48/06/338734806.db2.gz OTEASQSPRBSVCE-OAHLLOKOSA-N 0 3 312.417 3.913 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCC23CCCC3)c(OC(F)F)c1 ZINC000451460016 338735383 /nfs/dbraw/zinc/73/53/83/338735383.db2.gz RBPUOBCUMYHKEI-HNNXBMFYSA-N 0 3 306.356 3.972 20 30 DHEDHN COCC[C@@H](NCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000451697259 338742264 /nfs/dbraw/zinc/74/22/64/338742264.db2.gz VUBBVADXPWRHHN-CQSZACIVSA-N 0 3 300.324 3.676 20 30 DHEDHN Cc1cccc([C@@H](C)NCCC(=O)Nc2sccc2C#N)c1 ZINC000452087650 338753284 /nfs/dbraw/zinc/75/32/84/338753284.db2.gz YZMJEZYTLXBFFS-CYBMUJFWSA-N 0 3 313.426 3.608 20 30 DHEDHN Cc1cc(C)c(NC(=O)CCCN[C@@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000459458660 339030266 /nfs/dbraw/zinc/03/02/66/339030266.db2.gz FQHQZTKNUIGDCW-IAGOWNOFSA-N 0 3 313.445 3.612 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1ccc(O)c(OCC)c1 ZINC000459477272 339031514 /nfs/dbraw/zinc/03/15/14/339031514.db2.gz GZKITSHIGNAPHT-UHFFFAOYSA-N 0 3 301.386 3.615 20 30 DHEDHN Cc1nc2ccccc2n1CCCCCN[C@@H]1CCC[C@H]1C#N ZINC000459479408 339031625 /nfs/dbraw/zinc/03/16/25/339031625.db2.gz OATDJZPTMVNRCM-DLBZAZTESA-N 0 3 310.445 3.797 20 30 DHEDHN C=CCCC[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459508039 339033232 /nfs/dbraw/zinc/03/32/32/339033232.db2.gz SFXSPYXNJFIBMX-UHFFFAOYSA-N 0 3 314.223 3.609 20 30 DHEDHN C=CCc1cc(CN2CCCC[C@@H]2COCC)cc(OC)c1O ZINC000459672359 339042166 /nfs/dbraw/zinc/04/21/66/339042166.db2.gz HZAQEWPFMICLPV-QGZVFWFLSA-N 0 3 319.445 3.520 20 30 DHEDHN CC#CCCN(CCCO)C(c1ccccc1)c1ccccc1 ZINC000462329508 339075858 /nfs/dbraw/zinc/07/58/58/339075858.db2.gz ZUYJXCSKHNWTAG-UHFFFAOYSA-N 0 3 307.437 3.874 20 30 DHEDHN N#Cc1ccccc1N1CCCN([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463080209 339104973 /nfs/dbraw/zinc/10/49/73/339104973.db2.gz UDKCCYVDXHUMRG-PZJWPPBQSA-N 0 3 317.436 3.626 20 30 DHEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000464503092 339143870 /nfs/dbraw/zinc/14/38/70/339143870.db2.gz WEPRUUKLADUDMQ-OAHLLOKOSA-N 0 3 321.424 3.671 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000464652490 339147846 /nfs/dbraw/zinc/14/78/46/339147846.db2.gz WVZACDGUVFDWMC-SFHVURJKSA-N 0 3 316.489 3.612 20 30 DHEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000467294575 339230084 /nfs/dbraw/zinc/23/00/84/339230084.db2.gz AISMUUKFNNPINU-HZPDHXFCSA-N 0 3 310.441 3.913 20 30 DHEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000467294540 339230125 /nfs/dbraw/zinc/23/01/25/339230125.db2.gz ADYUEPNJOBOLDG-HOTGVXAUSA-N 0 3 310.441 3.913 20 30 DHEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000467294541 339230146 /nfs/dbraw/zinc/23/01/46/339230146.db2.gz ADYUEPNJOBOLDG-HZPDHXFCSA-N 0 3 310.441 3.913 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000467890161 339248721 /nfs/dbraw/zinc/24/87/21/339248721.db2.gz OOVCWDHWXSQEIK-VQTJNVASSA-N 0 3 314.473 3.760 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469456285 339290050 /nfs/dbraw/zinc/29/00/50/339290050.db2.gz FEVZAZNOSAOBMF-MRXNPFEDSA-N 0 3 307.384 3.771 20 30 DHEDHN CCCN(C(=O)C(C)C#N)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000469701751 339295769 /nfs/dbraw/zinc/29/57/69/339295769.db2.gz NUJRSESTOJSKNV-OAGGEKHMSA-N 0 3 306.450 3.513 20 30 DHEDHN C=CCOCCCN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000470760596 339326941 /nfs/dbraw/zinc/32/69/41/339326941.db2.gz QWFBMOLPQARSQR-UHFFFAOYSA-N 0 3 314.404 3.989 20 30 DHEDHN C=CCOCCCN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000470761122 339327057 /nfs/dbraw/zinc/32/70/57/339327057.db2.gz VFBINWFJTDVKPY-BBWFWOEESA-N 0 3 323.477 3.554 20 30 DHEDHN C=CCOCCCN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000470761127 339327153 /nfs/dbraw/zinc/32/71/53/339327153.db2.gz VFBINWFJTDVKPY-ZACQAIPSSA-N 0 3 323.477 3.554 20 30 DHEDHN CC(C)(C)CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470904442 339330678 /nfs/dbraw/zinc/33/06/78/339330678.db2.gz VZONNTLLDAIUSI-KRWDZBQOSA-N 0 3 311.429 3.573 20 30 DHEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000470918429 339331293 /nfs/dbraw/zinc/33/12/93/339331293.db2.gz JGAKHQHBMVXBKF-IBGZPJMESA-N 0 3 311.425 3.505 20 30 DHEDHN C[C@@H]1CCCC[C@H]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470962805 339333212 /nfs/dbraw/zinc/33/32/12/339333212.db2.gz YAOKJHJTJGYSGN-MNEFBYGVSA-N 0 3 323.440 3.573 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccc(C)c1F)C(C)C ZINC000472069410 339362158 /nfs/dbraw/zinc/36/21/58/339362158.db2.gz JHSFSKXLRAMINW-QGZVFWFLSA-N 0 3 318.436 3.563 20 30 DHEDHN CC1(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000472505862 339372919 /nfs/dbraw/zinc/37/29/19/339372919.db2.gz WFWLMUZYXLNKIY-QGZVFWFLSA-N 0 3 323.440 3.525 20 30 DHEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1ccc(Br)cc1 ZINC000472581111 339374254 /nfs/dbraw/zinc/37/42/54/339374254.db2.gz MEAGTRNLVJTDOQ-HOTGVXAUSA-N 0 3 324.262 3.913 20 30 DHEDHN CN1CC[C@H](CSc2nc(-c3ccccc3)ccc2C#N)C1 ZINC000473784743 339391995 /nfs/dbraw/zinc/39/19/95/339391995.db2.gz OLXYIRAIYCZEBL-AWEZNQCLSA-N 0 3 309.438 3.664 20 30 DHEDHN CC(C)(C#N)CCCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000485114906 339698854 /nfs/dbraw/zinc/69/88/54/339698854.db2.gz ULKSTEQMPPIBLJ-UHFFFAOYSA-N 0 3 322.456 3.687 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(C#N)c(C)c2)c1 ZINC000488153004 339772049 /nfs/dbraw/zinc/77/20/49/339772049.db2.gz RIISAZJJJWAWKK-AWEZNQCLSA-N 0 3 307.397 3.676 20 30 DHEDHN C=CCCCCCN1CCN(Cc2csc(CC)n2)CC1 ZINC000488181837 339772708 /nfs/dbraw/zinc/77/27/08/339772708.db2.gz GDTRKQZIXDKISW-UHFFFAOYSA-N 0 3 307.507 3.570 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1sccc1CC)C(C)C ZINC000495983519 339995986 /nfs/dbraw/zinc/99/59/86/339995986.db2.gz VWWVGRHEESYDFE-MRXNPFEDSA-N 0 3 320.502 3.739 20 30 DHEDHN CC(C)(C)OC(=O)N(CCN1CCC(CC#N)CC1)C(C)(C)C ZINC000496344158 340003522 /nfs/dbraw/zinc/00/35/22/340003522.db2.gz LWDUBCXCADGCTE-UHFFFAOYSA-N 0 3 323.481 3.648 20 30 DHEDHN CC(C)(C)OC(=O)NC[C@H]1CCCN1CCCCC(C)(C)C#N ZINC000497025886 340018580 /nfs/dbraw/zinc/01/85/80/340018580.db2.gz BUZCJEJOYCSXMA-OAHLLOKOSA-N 0 3 323.481 3.696 20 30 DHEDHN COc1ccc([C@H]2C[C@H](NCc3cc(C#N)cs3)C2)cc1F ZINC000500486178 340060397 /nfs/dbraw/zinc/06/03/97/340060397.db2.gz LBXUSDLVNPNBQM-HDJSIYSDSA-N 0 3 316.401 3.803 20 30 DHEDHN C=CCCC[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000501562808 340083748 /nfs/dbraw/zinc/08/37/48/340083748.db2.gz BZKOGSBTOJQWAH-BQFCYCMXSA-N 0 3 317.477 3.722 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C)[C@@H](C)C1 ZINC000501779630 340088524 /nfs/dbraw/zinc/08/85/24/340088524.db2.gz XKQDMINVVCEUKB-JYJNAYRXSA-N 0 3 320.502 3.629 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccc(F)cc1)C(C)C ZINC000502561869 340107912 /nfs/dbraw/zinc/10/79/12/340107912.db2.gz WYBRRVDNAUGDSH-SFHVURJKSA-N 0 3 306.425 3.537 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](c2ccccc2C)C1 ZINC000507206438 340213234 /nfs/dbraw/zinc/21/32/34/340213234.db2.gz OEFMPCAMDCIBKF-ZWKOTPCHSA-N 0 3 314.473 3.597 20 30 DHEDHN C[C@H](CCc1ccccc1)N1CCN(c2ccccc2C#N)CC1 ZINC000507278623 340216389 /nfs/dbraw/zinc/21/63/89/340216389.db2.gz MYPIGFPILRPBLX-GOSISDBHSA-N 0 3 319.452 3.702 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(Cc1ccccc1)[C@H](C)CC ZINC000507693119 340228572 /nfs/dbraw/zinc/22/85/72/340228572.db2.gz JMZUDTYPGBEIBY-QGZVFWFLSA-N 0 3 302.462 3.712 20 30 DHEDHN N#C[C@@H](c1ccccc1)N1CCN(CCC2=CCCCC2)CC1 ZINC000508586025 340246983 /nfs/dbraw/zinc/24/69/83/340246983.db2.gz DOINEZVLDMBKIE-FQEVSTJZSA-N 0 3 309.457 3.759 20 30 DHEDHN Cc1cc(CN2CCCN(c3ccccc3C#N)CC2)ccc1F ZINC000509099676 340261357 /nfs/dbraw/zinc/26/13/57/340261357.db2.gz OLIYZFUQRSDJAG-UHFFFAOYSA-N 0 3 323.415 3.718 20 30 DHEDHN C[C@@H](O)C[C@@H]1CCCCCN1CC#Cc1cccc(Cl)c1 ZINC000512464337 340362830 /nfs/dbraw/zinc/36/28/30/340362830.db2.gz WNHMMWGFYFRHJH-QAPCUYQASA-N 0 3 305.849 3.707 20 30 DHEDHN C=CCOc1ccc(CNCc2c(C)cc(OC)nc2C)cc1 ZINC000512562431 340367064 /nfs/dbraw/zinc/36/70/64/340367064.db2.gz VTYFPSKWONBKIE-UHFFFAOYSA-N 0 3 312.413 3.562 20 30 DHEDHN CCC1(CC)[C@H](N[C@H](C)c2ccc(C#N)cc2F)C[C@@H]1OC ZINC000512620387 340369451 /nfs/dbraw/zinc/36/94/51/340369451.db2.gz QFBKXAJLTKNITI-JLZZUVOBSA-N 0 3 304.409 3.942 20 30 DHEDHN C[C@@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccc(C#N)cc1F ZINC000512640934 340370522 /nfs/dbraw/zinc/37/05/22/340370522.db2.gz BNKIEAAGHNLCLM-UKRRQHHQSA-N 0 3 302.393 3.840 20 30 DHEDHN C[C@@H](N[C@H]1CCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512655076 340371218 /nfs/dbraw/zinc/37/12/18/340371218.db2.gz RJBRIBGMCJBUIJ-ZBFHGGJFSA-N 0 3 309.388 3.627 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1COc2ccccc21 ZINC000512654125 340371304 /nfs/dbraw/zinc/37/13/04/340371304.db2.gz JKFHRTZHLLKLMZ-AHIWAGSCSA-N 0 3 310.372 3.913 20 30 DHEDHN CCS[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1OC ZINC000190048865 340542286 /nfs/dbraw/zinc/54/22/86/340542286.db2.gz ALKAKOMHQWIUNC-RDJZCZTQSA-N 0 3 304.459 3.721 20 30 DHEDHN N#CCCNCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000307492140 340652805 /nfs/dbraw/zinc/65/28/05/340652805.db2.gz YXPGSHLPADVYRA-UHFFFAOYSA-N 0 3 307.441 3.582 20 30 DHEDHN N#Cc1ccc(CNCCOc2ccccc2C(F)(F)F)cc1 ZINC000237809920 340674064 /nfs/dbraw/zinc/67/40/64/340674064.db2.gz IGFWCPPAFNVOKQ-UHFFFAOYSA-N 0 3 320.314 3.746 20 30 DHEDHN C=C(CC)CN1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528576784 340724599 /nfs/dbraw/zinc/72/45/99/340724599.db2.gz BGOXGPUXNYUIEG-UHFFFAOYSA-N 0 3 303.450 3.948 20 30 DHEDHN CC#CCN[C@@H](Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000539259381 340878710 /nfs/dbraw/zinc/87/87/10/340878710.db2.gz RGSOXAGBGQRVRN-SFHVURJKSA-N 0 3 309.409 3.601 20 30 DHEDHN C=CCN[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000130704321 341039698 /nfs/dbraw/zinc/03/96/98/341039698.db2.gz XWQFAMRRIIZBIH-MRXNPFEDSA-N 0 3 317.230 3.904 20 30 DHEDHN N#CCC1CCN(CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000543806681 341059880 /nfs/dbraw/zinc/05/98/80/341059880.db2.gz HFRNTIZVCMMPEX-UHFFFAOYSA-N 0 3 312.335 3.753 20 30 DHEDHN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(CC#N)cc1 ZINC000544068359 341069128 /nfs/dbraw/zinc/06/91/28/341069128.db2.gz JUBTZTOPGURPID-YWZLYKJASA-N 0 3 306.409 3.577 20 30 DHEDHN CCc1ccc([C@@H](CNc2nccc(C)c2C#N)N(C)C)cc1 ZINC000544150629 341072341 /nfs/dbraw/zinc/07/23/41/341072341.db2.gz SMHWSPSQCCJDIX-GOSISDBHSA-N 0 3 308.429 3.539 20 30 DHEDHN COc1ccccc1C1(CNCc2ccc(C#N)cc2F)CCC1 ZINC000546061173 341153086 /nfs/dbraw/zinc/15/30/86/341153086.db2.gz QVACZPWIBZTIPH-UHFFFAOYSA-N 0 3 324.399 3.917 20 30 DHEDHN Cc1cccc(C)c1[C@@H](C)NCCC(=O)Nc1cccc(C#N)c1 ZINC000546225373 341157857 /nfs/dbraw/zinc/15/78/57/341157857.db2.gz HMACELSPXBJCSD-MRXNPFEDSA-N 0 3 321.424 3.855 20 30 DHEDHN C=CC[C@H](CO)NCc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000547375383 341209740 /nfs/dbraw/zinc/20/97/40/341209740.db2.gz SJDRVADXDLZGCO-MRXNPFEDSA-N 0 3 319.351 3.784 20 30 DHEDHN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(F)c(C#N)c1 ZINC000134245332 341210627 /nfs/dbraw/zinc/21/06/27/341210627.db2.gz RSNKAQKKWYAGOQ-DJJJIMSYSA-N 0 3 310.372 3.521 20 30 DHEDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1ccc(F)c(C#N)c1 ZINC000134245355 341210673 /nfs/dbraw/zinc/21/06/73/341210673.db2.gz RSNKAQKKWYAGOQ-YJYMSZOUSA-N 0 3 310.372 3.521 20 30 DHEDHN COc1cc(CN(C)CCOCc2ccc(C#N)cc2)ccc1C ZINC000564323189 341218632 /nfs/dbraw/zinc/21/86/32/341218632.db2.gz DZVUEUKRUYQXSK-UHFFFAOYSA-N 0 3 324.424 3.524 20 30 DHEDHN C=CCOCCN1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000549916704 341306479 /nfs/dbraw/zinc/30/64/79/341306479.db2.gz YTOCMTJDGIMDQM-UHFFFAOYSA-N 0 3 311.347 3.997 20 30 DHEDHN Cc1cc(C)c(C#N)c(S[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000550002091 341308508 /nfs/dbraw/zinc/30/85/08/341308508.db2.gz FBBXOSBJKFXYRB-KRWDZBQOSA-N 0 3 323.465 3.937 20 30 DHEDHN Cc1sc(NC(=O)CN(C)[C@@H]2CCC[C@@H](C)C2)c(C#N)c1C ZINC000246400078 341347401 /nfs/dbraw/zinc/34/74/01/341347401.db2.gz QNFKBZHLTPIKAL-BXUZGUMPSA-N 0 3 319.474 3.686 20 30 DHEDHN C=CCC[C@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1ccco1 ZINC000552046745 341364822 /nfs/dbraw/zinc/36/48/22/341364822.db2.gz QFGXRAYLRSCKKU-WMZOPIPTSA-N 0 3 317.404 3.867 20 30 DHEDHN N#Cc1ccc(OCCN2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000552197917 341377789 /nfs/dbraw/zinc/37/77/89/341377789.db2.gz CBYLXNUXPNUTRM-KRWDZBQOSA-N 0 3 310.372 3.566 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000249056782 341392721 /nfs/dbraw/zinc/39/27/21/341392721.db2.gz YVIMKAQHDMTCBO-ACWOFJMJSA-N 0 3 312.413 3.581 20 30 DHEDHN C=CCCOCCN[C@H](C)c1ccccc1OC(F)(F)F ZINC000090883867 341420111 /nfs/dbraw/zinc/42/01/11/341420111.db2.gz PCXMPXDFHPAVTB-GFCCVEGCSA-N 0 3 303.324 3.829 20 30 DHEDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000565488473 341528994 /nfs/dbraw/zinc/52/89/94/341528994.db2.gz MCGCIZNZSHINQT-AZUAARDMSA-N 0 3 321.424 3.742 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1c2ccccc2C[C@H]1O ZINC000572574724 341549686 /nfs/dbraw/zinc/54/96/86/341549686.db2.gz JVROVAXWWZDWBD-HBMCJLEFSA-N 0 3 318.420 3.574 20 30 DHEDHN C=CCCCCN1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000566955189 341572717 /nfs/dbraw/zinc/57/27/17/341572717.db2.gz SOALBWJWFZELEI-UHFFFAOYSA-N 0 3 301.430 3.946 20 30 DHEDHN C[C@@H](NCc1cc(C#N)cs1)c1cccc(-n2cccn2)c1 ZINC000177708298 341924640 /nfs/dbraw/zinc/92/46/40/341924640.db2.gz NOIFHYUJNYZPBG-CYBMUJFWSA-N 0 3 308.410 3.656 20 30 DHEDHN CCCC[C@H](NCc1cc(C#N)n(C)c1)c1ccc(OC)cc1 ZINC000190947889 521239771 /nfs/dbraw/zinc/23/97/71/521239771.db2.gz SOLHLCSZOWMMLC-IBGZPJMESA-N 0 3 311.429 3.926 20 30 DHEDHN CC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000126952724 522629465 /nfs/dbraw/zinc/62/94/65/522629465.db2.gz MMPPEDJLJCJRBH-ROUUACIJSA-N 0 3 314.816 3.986 20 30 DHEDHN C[C@H](NCc1ccc(F)c(CN(C)C)c1)c1cccc(C#N)c1 ZINC000181755641 525442537 /nfs/dbraw/zinc/44/25/37/525442537.db2.gz DTZSKDUYFUKZMS-AWEZNQCLSA-N 0 3 311.404 3.610 20 30 DHEDHN Cc1cccnc1[C@@H](NCCOc1ccccc1C#N)C(C)C ZINC000265531601 525549804 /nfs/dbraw/zinc/54/98/04/525549804.db2.gz VIUJMAAJLISPMA-SFHVURJKSA-N 0 3 309.413 3.627 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000338333009 526036754 /nfs/dbraw/zinc/03/67/54/526036754.db2.gz OKXNYPSSZYIVHL-UWJYYQICSA-N 0 3 320.436 3.645 20 30 DHEDHN N#Cc1ccc(CNCCCc2cccc(C(F)(F)F)c2)o1 ZINC000266211419 526622862 /nfs/dbraw/zinc/62/28/62/526622862.db2.gz OLFIRMAJRFDMOP-UHFFFAOYSA-N 0 3 308.303 3.892 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000161996876 526625439 /nfs/dbraw/zinc/62/54/39/526625439.db2.gz GIJXWXDFVCFARW-QWHCGFSZSA-N 0 3 300.299 3.908 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000181026105 526626679 /nfs/dbraw/zinc/62/66/79/526626679.db2.gz FRSXRYYJIMZNSP-ZDUSSCGKSA-N 0 3 317.845 3.642 20 30 DHEDHN CCS[C@H]1CCCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000340196139 535724867 /nfs/dbraw/zinc/72/48/67/535724867.db2.gz WOYDPWXWRTYNDZ-INIZCTEOSA-N 0 3 304.459 3.674 20 30 DHEDHN CC[C@@H](NCc1cccc(NC(=O)OC)c1)c1ccc(C#N)cc1 ZINC000287464211 535806135 /nfs/dbraw/zinc/80/61/35/535806135.db2.gz MAVGGMYFNZGPJC-GOSISDBHSA-N 0 3 323.396 3.977 20 30 DHEDHN Oc1ccccc1/C=N\C[C@@H](c1cccs1)N1CCCC1 ZINC000255047303 1013119128 /nfs/dbraw/zinc/11/91/28/1013119128.db2.gz PENYXQJXQRHDOT-BRYHAGSVSA-N 0 3 300.427 3.710 20 30 DHEDHN C=CCCCCCCCN1CCN(Cc2ccncc2)CC1 ZINC001209439467 1013286161 /nfs/dbraw/zinc/28/61/61/1013286161.db2.gz QUWILDHIYZCWBV-UHFFFAOYSA-N 0 3 301.478 3.726 20 30 DHEDHN C=C[C@H](C)NCc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000153702517 1013312964 /nfs/dbraw/zinc/31/29/64/1013312964.db2.gz SGFLHPARMNTIRD-AWEZNQCLSA-N 0 3 310.397 3.612 20 30 DHEDHN C#CCN(CCOc1cccc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001167179120 1013362567 /nfs/dbraw/zinc/36/25/67/1013362567.db2.gz WFBQFAOFIAXJBB-OAQYLSRUSA-N 0 3 321.420 3.697 20 30 DHEDHN C#C[C@H](N[C@H](C)[C@H]1CCCOC1)c1ccc(Br)cc1 ZINC000894870056 1013570680 /nfs/dbraw/zinc/57/06/80/1013570680.db2.gz HSMZBMBMILZPRJ-INWMFGNUSA-N 0 3 322.246 3.528 20 30 DHEDHN C#C[C@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000894870198 1013572777 /nfs/dbraw/zinc/57/27/77/1013572777.db2.gz JGEGAXWMOLDYSR-CABCVRRESA-N 0 3 322.246 3.671 20 30 DHEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000683523778 1013589714 /nfs/dbraw/zinc/58/97/14/1013589714.db2.gz ASELDCDYANDXET-OXJNMPFZSA-N 0 3 311.425 3.853 20 30 DHEDHN N#Cc1ccc(CNCCOc2ccc3ccccc3c2)s1 ZINC000176945291 1013688706 /nfs/dbraw/zinc/68/87/06/1013688706.db2.gz WDHLPWMHVWQHHP-UHFFFAOYSA-N 0 3 308.406 3.942 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN(CC)CC1CC1 ZINC000112983005 1013770435 /nfs/dbraw/zinc/77/04/35/1013770435.db2.gz PTKAZXRLFWZYOT-UHFFFAOYSA-N 0 3 304.459 3.635 20 30 DHEDHN Cc1noc(C(C)C)c1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000330393537 1013814519 /nfs/dbraw/zinc/81/45/19/1013814519.db2.gz KQFRYZHKZXURNQ-OLZOCXBDSA-N 0 3 307.438 3.531 20 30 DHEDHN C[C@@H](CC(F)(F)F)NCc1cccc(OCCCC#N)c1 ZINC000361741490 1032075735 /nfs/dbraw/zinc/07/57/35/1032075735.db2.gz WPSFHFJQBYVDPO-LBPRGKRZSA-N 0 3 300.324 3.800 20 30 DHEDHN C[C@H](CC(C)(C)O)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331337455 1013874473 /nfs/dbraw/zinc/87/44/73/1013874473.db2.gz JCWRWNDYXMZUIG-OAHLLOKOSA-N 0 3 318.461 3.527 20 30 DHEDHN C=CCCCCN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001167386213 1014104588 /nfs/dbraw/zinc/10/45/88/1014104588.db2.gz BMCKHKSVSAHZKK-MRXNPFEDSA-N 0 3 306.837 3.733 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(F)cc2)n1 ZINC000155761988 1014172463 /nfs/dbraw/zinc/17/24/63/1014172463.db2.gz PODQKAGIRVEQSJ-LBPRGKRZSA-N 0 3 303.362 3.651 20 30 DHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)CC(C)(C)C)cc1 ZINC000726971226 1014231688 /nfs/dbraw/zinc/23/16/88/1014231688.db2.gz CLYFMGOQCFGKIT-MRXNPFEDSA-N 0 3 315.461 3.608 20 30 DHEDHN C=CCC[C@H](N[C@H]1CCCN(C(C)C)C1=O)c1ccccc1 ZINC000684095247 1014403634 /nfs/dbraw/zinc/40/36/34/1014403634.db2.gz SMFALUUOHSJDSC-ROUUACIJSA-N 0 3 300.446 3.683 20 30 DHEDHN CCN(Cc1ccc2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000126082709 1014469478 /nfs/dbraw/zinc/46/94/78/1014469478.db2.gz CBGGZJGXBLCQTQ-OAHLLOKOSA-N 0 3 322.408 3.913 20 30 DHEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000156816240 1014561858 /nfs/dbraw/zinc/56/18/58/1014561858.db2.gz FQTNZJPSFPEBIU-AAEUAGOBSA-N 0 3 317.439 3.523 20 30 DHEDHN N#C[C@H]1CC[C@H](NCc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000520955909 1014621359 /nfs/dbraw/zinc/62/13/59/1014621359.db2.gz OGQOTDLMIMPQTK-YOEHRIQHSA-N 0 3 311.429 3.597 20 30 DHEDHN COc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1OC1CCCC1 ZINC000442794291 1014735463 /nfs/dbraw/zinc/73/54/63/1014735463.db2.gz SUNMRFYLDPBMMN-GDBMZVCRSA-N 0 3 314.429 3.798 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000521590530 1014742267 /nfs/dbraw/zinc/74/22/67/1014742267.db2.gz QCYPEBPCPYYDMK-UHFFFAOYSA-N 0 3 321.852 3.810 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CC(C)(C)OC(C)(C)C1 ZINC000442869082 1014754160 /nfs/dbraw/zinc/75/41/60/1014754160.db2.gz AKZZXXAMRJZSNH-UHFFFAOYSA-N 0 3 300.446 3.877 20 30 DHEDHN CC[C@H](C)CN(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000341020106 1014819601 /nfs/dbraw/zinc/81/96/01/1014819601.db2.gz UYKJAXQGMLCBGV-HNNXBMFYSA-N 0 3 315.461 3.528 20 30 DHEDHN CN(C)[C@@H](C/N=C\c1cc(Cl)ccc1O)c1cccs1 ZINC000255316223 1014939837 /nfs/dbraw/zinc/93/98/37/1014939837.db2.gz VFWYJWICIKKSCB-OLWAXZHHSA-N 0 3 308.834 3.829 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1sccc1Br ZINC000581590166 1015021942 /nfs/dbraw/zinc/02/19/42/1015021942.db2.gz ILFGCZJNBKSCMJ-JLLWLGSASA-N 0 3 316.264 3.895 20 30 DHEDHN C#CCN1CCC(C(=O)Nc2ccc(CCCCC)cc2)CC1 ZINC000108711784 1015175142 /nfs/dbraw/zinc/17/51/42/1015175142.db2.gz NSOZEJUBCXVRFX-UHFFFAOYSA-N 0 3 312.457 3.703 20 30 DHEDHN CCOc1ccc(O)c(/C=N\C[C@H](c2ccccc2)N(C)C)c1 ZINC000255357670 1015188122 /nfs/dbraw/zinc/18/81/22/1015188122.db2.gz CATAHIUYIYPXRI-RXWSAZGZSA-N 0 3 312.413 3.513 20 30 DHEDHN C=CCC[C@@H](NC[C@H](O)c1cccc(OC)c1)c1ccco1 ZINC000276511288 1015241310 /nfs/dbraw/zinc/24/13/10/1015241310.db2.gz ZIMAWMSDWFRTRZ-SJORKVTESA-N 0 3 301.386 3.619 20 30 DHEDHN Cc1nc(C(C#N)C(=O)Nc2ccccc2Cl)sc1C ZINC000155649848 1015295490 /nfs/dbraw/zinc/29/54/90/1015295490.db2.gz OFFKGEDXXYNMNR-JTQLQIEISA-N 0 3 305.790 3.659 20 30 DHEDHN N#CCC[C@H](C#N)CNCCCO[C@H]1CCCc2ccccc21 ZINC000581880041 1015413168 /nfs/dbraw/zinc/41/31/68/1015413168.db2.gz MZXQXBIGDSUYRH-APWZRJJASA-N 0 3 311.429 3.504 20 30 DHEDHN CCN(CCC#N)C(=O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000341592882 1015567040 /nfs/dbraw/zinc/56/70/40/1015567040.db2.gz LHHWIYVPTLWXJJ-KRWDZBQOSA-N 0 3 315.461 3.516 20 30 DHEDHN CC(=O)NC1CCC(N[C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000329143781 1015647387 /nfs/dbraw/zinc/64/73/87/1015647387.db2.gz MJSPMCDNTQSTRF-LMWSTFAQSA-N 0 3 321.490 3.960 20 30 DHEDHN C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329529265 1015728900 /nfs/dbraw/zinc/72/89/00/1015728900.db2.gz VBUPYVGQJCHSED-KBPBESRZSA-N 0 3 321.465 3.519 20 30 DHEDHN CC(C)CC[C@@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000535813577 1015833806 /nfs/dbraw/zinc/83/38/06/1015833806.db2.gz XZLUQAKTAWNPFQ-KRWDZBQOSA-N 0 3 310.445 3.997 20 30 DHEDHN C=CCC[C@H](NCC(=O)N1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000341950891 1015857125 /nfs/dbraw/zinc/85/71/25/1015857125.db2.gz YVVLGKVVNFVRAZ-SCTDSRPQSA-N 0 3 314.473 3.788 20 30 DHEDHN Cc1ccc(C)c(CON=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000255426961 1015958216 /nfs/dbraw/zinc/95/82/16/1015958216.db2.gz JJWXKLCOAJNOLS-UHFFFAOYSA-N 0 3 324.424 3.691 20 30 DHEDHN COc1ccc([C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC000119475835 1016096892 /nfs/dbraw/zinc/09/68/92/1016096892.db2.gz ITODLIKKCKPXCP-INIZCTEOSA-N 0 3 310.372 3.695 20 30 DHEDHN C[C@@H]1CN(CCCCNc2cccc(Cl)c2C#N)C[C@H](C)O1 ZINC000450380251 1016172811 /nfs/dbraw/zinc/17/28/11/1016172811.db2.gz REROUGHBHUTJEK-OKILXGFUSA-N 0 3 321.852 3.513 20 30 DHEDHN COc1ccc([C@H](C)NCc2cc(C#N)cs2)c(C)c1OC ZINC000342271370 1016213793 /nfs/dbraw/zinc/21/37/93/1016213793.db2.gz CHHSMXVFEKNUSG-LBPRGKRZSA-N 0 3 316.426 3.796 20 30 DHEDHN COc1ccc(CN2CCC(c3ccc(O)cc3)CC2)cc1C#N ZINC000134950646 1016325137 /nfs/dbraw/zinc/32/51/37/1016325137.db2.gz FSBCLGIYLUINQL-UHFFFAOYSA-N 0 3 322.408 3.652 20 30 DHEDHN CCCN(CC(=O)N(CC)CCC#N)[C@@H](CC)c1ccccc1 ZINC000346595998 1016459879 /nfs/dbraw/zinc/45/98/79/1016459879.db2.gz SMTQLTYBEQKBQP-SFHVURJKSA-N 0 3 315.461 3.612 20 30 DHEDHN CCCN(CC(=O)N(CC)CCC#N)[C@H](CC)c1ccccc1 ZINC000346595996 1016460044 /nfs/dbraw/zinc/46/00/44/1016460044.db2.gz SMTQLTYBEQKBQP-GOSISDBHSA-N 0 3 315.461 3.612 20 30 DHEDHN C=CCCn1cc(CNC2CCC(C)(c3ccccc3)CC2)nn1 ZINC000657401631 1016633894 /nfs/dbraw/zinc/63/38/94/1016633894.db2.gz DWEDHBIRPOFHTR-UHFFFAOYSA-N 0 3 324.472 3.844 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc(OC)cc1 ZINC000281791987 1016735044 /nfs/dbraw/zinc/73/50/44/1016735044.db2.gz UPMAVFIXDLQLAE-SFHVURJKSA-N 0 3 310.397 3.816 20 30 DHEDHN C=CCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000132918393 1016955972 /nfs/dbraw/zinc/95/59/72/1016955972.db2.gz YTARHZYTESBTBM-UHFFFAOYSA-N 0 3 314.351 3.930 20 30 DHEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)[C@H]1COc2ccccc21 ZINC000185582643 1017024441 /nfs/dbraw/zinc/02/44/41/1017024441.db2.gz FBCMJTPNZMTQPQ-RDTXWAMCSA-N 0 3 311.812 3.846 20 30 DHEDHN C=C(C)CNCc1cn(-c2ccccc2Br)nc1C ZINC000655770310 1032171386 /nfs/dbraw/zinc/17/13/86/1032171386.db2.gz GPALWJVEZPDJQE-UHFFFAOYSA-N 0 3 320.234 3.609 20 30 DHEDHN N#CC(C(=O)c1cccc(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000362127833 1032243906 /nfs/dbraw/zinc/24/39/06/1032243906.db2.gz BMHSJXRCOKWQSI-LBPRGKRZSA-N 0 3 308.234 3.730 20 30 DHEDHN CCCCCCC[C@@H](C)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000877677682 1033407861 /nfs/dbraw/zinc/40/78/61/1033407861.db2.gz YMGLBZJDMCGMSX-CQSZACIVSA-N 0 3 308.470 3.537 20 30 DHEDHN CCN(C)c1ccc([C@H](C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000773086128 1032555133 /nfs/dbraw/zinc/55/51/33/1032555133.db2.gz ZBIKFBMPGMQKGT-HNNXBMFYSA-N 0 3 323.440 3.874 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1COC2(CCCCC2)O1 ZINC001171399272 1032583358 /nfs/dbraw/zinc/58/33/58/1032583358.db2.gz CQWVNTJFJHQVNU-CRAIPNDOSA-N 0 3 314.429 3.627 20 30 DHEDHN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](N)CCCC#N ZINC000424080701 1011894782 /nfs/dbraw/zinc/89/47/82/1011894782.db2.gz TZLIJLPOHPGTPT-INIZCTEOSA-N 0 3 301.434 3.893 20 30 DHEDHN CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)[C@H](N)CCCC#N ZINC000424115992 1011908791 /nfs/dbraw/zinc/90/87/91/1011908791.db2.gz BBYRYAPHEQLZOJ-HZPDHXFCSA-N 0 3 307.482 3.509 20 30 DHEDHN C=CCn1cc(CN[C@@H]2CCCC[C@@H](c3ccccc3)C2)nn1 ZINC000424171006 1011934980 /nfs/dbraw/zinc/93/49/80/1011934980.db2.gz KZXLSTIQAJCEET-QZTJIDSGSA-N 0 3 310.445 3.670 20 30 DHEDHN Cc1cc([C@@H](C)NCc2cnc3ccc(C#N)cn23)c(C)s1 ZINC000342727289 1017104100 /nfs/dbraw/zinc/10/41/00/1017104100.db2.gz KYKRWTQCXHKTHE-GFCCVEGCSA-N 0 3 310.426 3.735 20 30 DHEDHN CN(C)[C@H](C/N=C/c1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000126919298 1012475999 /nfs/dbraw/zinc/47/59/99/1012475999.db2.gz BZJSAPXVCTVSGT-OVEPSTSESA-N 0 3 320.795 3.907 20 30 DHEDHN COCCOc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425365579 1012492347 /nfs/dbraw/zinc/49/23/47/1012492347.db2.gz LXWQDEWRBJOKCT-INIZCTEOSA-N 0 3 324.424 3.776 20 30 DHEDHN C=CC[C@H](C)C(=O)N1CC2(CCN2C[C@H](CC)CCCC)C1 ZINC001269960081 1012522230 /nfs/dbraw/zinc/52/22/30/1012522230.db2.gz LVPKHWCVDVIIDC-DLBZAZTESA-N 0 3 306.494 3.702 20 30 DHEDHN C=CC[C@@H](C)C(=O)N1CC2(CCN2C[C@@H](CC)CCCC)C1 ZINC001269960086 1012522555 /nfs/dbraw/zinc/52/25/55/1012522555.db2.gz LVPKHWCVDVIIDC-SJORKVTESA-N 0 3 306.494 3.702 20 30 DHEDHN COc1ccc(C(=O)CCN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425530358 1012727381 /nfs/dbraw/zinc/72/73/81/1012727381.db2.gz DYQMHUHYDUXIKI-OAHLLOKOSA-N 0 3 322.408 3.833 20 30 DHEDHN CC(C)c1nccc(C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000366668905 1012866044 /nfs/dbraw/zinc/86/60/44/1012866044.db2.gz LYRYKGINTNUCND-UHFFFAOYSA-N 0 3 320.440 3.851 20 30 DHEDHN Cc1cc(CN(C)C)cc(NC(=O)c2c(C)cc(C#N)cc2C)c1 ZINC000897231326 1017180990 /nfs/dbraw/zinc/18/09/90/1017180990.db2.gz CQLCRCHULQCJPY-UHFFFAOYSA-N 0 3 321.424 3.797 20 30 DHEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000180032665 1017352655 /nfs/dbraw/zinc/35/26/55/1017352655.db2.gz DMIOTQBTVVVABW-LBPRGKRZSA-N 0 3 318.417 3.507 20 30 DHEDHN C=CCC[C@H](NCC(=O)NCc1cccs1)c1ccccc1 ZINC000180043063 1017355862 /nfs/dbraw/zinc/35/58/62/1017355862.db2.gz NLVFXKABHOCKBF-KRWDZBQOSA-N 0 3 314.454 3.661 20 30 DHEDHN C=CCCNCc1cc(OC(F)F)ccc1Br ZINC000657583359 1017495400 /nfs/dbraw/zinc/49/54/00/1017495400.db2.gz JYNJQGRJFZXITE-UHFFFAOYSA-N 0 3 306.150 3.716 20 30 DHEDHN C=CCOCCCNCc1csc(-c2ccc(F)cc2)n1 ZINC000657658462 1017684269 /nfs/dbraw/zinc/68/42/69/1017684269.db2.gz ZCSWLPRSRVKUBV-UHFFFAOYSA-N 0 3 306.406 3.632 20 30 DHEDHN N#Cc1ccccc1CNc1cc(CN2CCCCC2)ccn1 ZINC001167633346 1017794052 /nfs/dbraw/zinc/79/40/52/1017794052.db2.gz KYELMTNBWKLUMC-UHFFFAOYSA-N 0 3 306.413 3.551 20 30 DHEDHN CC(C)CCN(CCC#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181730379 1017796280 /nfs/dbraw/zinc/79/62/80/1017796280.db2.gz DKCJXVZRFZZDQQ-UHFFFAOYSA-N 0 3 321.509 3.533 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)CCc1ccccc1 ZINC000182274741 1017888844 /nfs/dbraw/zinc/88/88/44/1017888844.db2.gz BEKUATKZZMTUKP-NRFANRHFSA-N 0 3 320.436 3.540 20 30 DHEDHN C=CCCCN(C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000524755350 1018083928 /nfs/dbraw/zinc/08/39/28/1018083928.db2.gz XSTCMNUDOOERHL-UHFFFAOYSA-N 0 3 320.452 3.851 20 30 DHEDHN CCC(CC)N(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000524757843 1018085465 /nfs/dbraw/zinc/08/54/65/1018085465.db2.gz LNWWBKMDPDHMSQ-UHFFFAOYSA-N 0 3 310.401 3.761 20 30 DHEDHN CCCCCN(Cc1cccc(C(=O)OC)c1C#N)C(C)C ZINC000535979640 1018255917 /nfs/dbraw/zinc/25/59/17/1018255917.db2.gz AHSURGOQEOSTBL-UHFFFAOYSA-N 0 3 302.418 3.745 20 30 DHEDHN CC(C)(C#N)CCN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858028339 1032752483 /nfs/dbraw/zinc/75/24/83/1032752483.db2.gz GFSUWOINJRJHBY-KRWDZBQOSA-N 0 3 313.445 3.742 20 30 DHEDHN C=CC[C@@H]1N(Cc2ccc([S@](C)=O)cc2)CCCC1(C)C ZINC000446827469 1018262097 /nfs/dbraw/zinc/26/20/97/1018262097.db2.gz ONBHKXHRSCEQPN-UWJYYQICSA-N 0 3 305.487 3.991 20 30 DHEDHN C[C@@H](NCc1ccc(Cn2cccn2)cc1)c1ccc(C#N)cc1 ZINC000173883266 1018369378 /nfs/dbraw/zinc/36/93/78/1018369378.db2.gz FNUFJDZKUSZWMY-MRXNPFEDSA-N 0 3 316.408 3.654 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)cc1 ZINC000173938729 1018375426 /nfs/dbraw/zinc/37/54/26/1018375426.db2.gz MZIYCRLAJLBNMF-ZIAGYGMSSA-N 0 3 319.408 3.855 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000174436276 1018429732 /nfs/dbraw/zinc/42/97/32/1018429732.db2.gz PZMYULAJHQDPQV-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN CCN(CC)Cc1ccc(C(=O)Oc2ccc(C#N)c(C)c2)o1 ZINC000765094614 1018473444 /nfs/dbraw/zinc/47/34/44/1018473444.db2.gz NARFPHGYBGPIKM-UHFFFAOYSA-N 0 3 312.369 3.521 20 30 DHEDHN N#CCC1(N[C@H]2CCc3cc(F)c(F)c(F)c3C2)CCCC1 ZINC001171527326 1032770475 /nfs/dbraw/zinc/77/04/75/1032770475.db2.gz BNFLSVHSGWGKHH-LBPRGKRZSA-N 0 3 308.347 3.777 20 30 DHEDHN CCCOc1ccc(CN[C@H](CC)c2ccc(C#N)cc2)cn1 ZINC000278383227 1018639426 /nfs/dbraw/zinc/63/94/26/1018639426.db2.gz DGPUVWORJCCWKM-GOSISDBHSA-N 0 3 309.413 3.983 20 30 DHEDHN COc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c(C)c1 ZINC000765259531 1018734195 /nfs/dbraw/zinc/73/41/95/1018734195.db2.gz GDNXARUACJJBMA-HNNXBMFYSA-N 0 3 310.397 3.584 20 30 DHEDHN C[C@@H](NCc1csc(C#N)c1)[C@@H](O)c1c(F)cccc1Cl ZINC000921806205 1018882800 /nfs/dbraw/zinc/88/28/00/1018882800.db2.gz JJUUPSSREUVQHL-RFAUZJTJSA-N 0 3 324.808 3.624 20 30 DHEDHN CC[C@@H](C)[C@@H](C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000584056091 1018907209 /nfs/dbraw/zinc/90/72/09/1018907209.db2.gz DVBLCULINIPATD-CHWSQXEVSA-N 0 3 301.390 3.865 20 30 DHEDHN C[C@H]1CCC[C@H](C)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075767268 1019047123 /nfs/dbraw/zinc/04/71/23/1019047123.db2.gz ZRORHCMIKWQIPN-KBPBESRZSA-N 0 3 310.401 3.619 20 30 DHEDHN CCN(CC)c1ccc(CNCc2c(C)cc(C#N)cc2C)cn1 ZINC000921558146 1019089972 /nfs/dbraw/zinc/08/99/72/1019089972.db2.gz OQEIRVWEQVOHRO-UHFFFAOYSA-N 0 3 322.456 3.706 20 30 DHEDHN C=CCN1CC[C@@H](N(Cc2cccs2)C(C)(C)CCC)C1=O ZINC000565129879 1019118924 /nfs/dbraw/zinc/11/89/24/1019118924.db2.gz PATPVPNVVAVAKA-MRXNPFEDSA-N 0 3 320.502 3.916 20 30 DHEDHN N#Cc1cc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cs1 ZINC000921926717 1019126959 /nfs/dbraw/zinc/12/69/59/1019126959.db2.gz CIWWLTKCESPSIO-KSSFIOAISA-N 0 3 312.438 3.877 20 30 DHEDHN CCN(Cc1ccc(N(C)C)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000611256430 1019423784 /nfs/dbraw/zinc/42/37/84/1019423784.db2.gz OFTNRLBMQXAFLF-OAHLLOKOSA-N 0 3 308.429 3.602 20 30 DHEDHN Cc1ccsc1[C@@H](CO)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394668 1019471599 /nfs/dbraw/zinc/47/15/99/1019471599.db2.gz WAZRZZJFJAZJLE-IAGOWNOFSA-N 0 3 312.438 3.629 20 30 DHEDHN COC[C@@H](NCCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000611462956 1019489788 /nfs/dbraw/zinc/48/97/88/1019489788.db2.gz QVZFLNGPKDZHTR-CQSZACIVSA-N 0 3 314.351 3.922 20 30 DHEDHN CC(C)SCCNCc1cc(C#N)ccc1Br ZINC000922128040 1019491371 /nfs/dbraw/zinc/49/13/71/1019491371.db2.gz UYLXMDZKGWBLBY-UHFFFAOYSA-N 0 3 313.264 3.552 20 30 DHEDHN CC[C@]1(CNCc2csc(C#N)c2)OCCc2ccccc21 ZINC000922135582 1019502311 /nfs/dbraw/zinc/50/23/11/1019502311.db2.gz RMOAVFHJEYBOBV-GOSISDBHSA-N 0 3 312.438 3.588 20 30 DHEDHN N#Cc1cc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)ccn1 ZINC000611503165 1019504494 /nfs/dbraw/zinc/50/44/94/1019504494.db2.gz HJOFMVAIUDSEDS-MRXNPFEDSA-N 0 3 309.388 3.862 20 30 DHEDHN Cn1cccc1C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000078735556 1019581621 /nfs/dbraw/zinc/58/16/21/1019581621.db2.gz SHKIMGOITAXTQV-ZDUSSCGKSA-N 0 3 307.378 3.639 20 30 DHEDHN C=C(C)COc1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1 ZINC000066727087 1019602289 /nfs/dbraw/zinc/60/22/89/1019602289.db2.gz UUGKMYJPRAPGIS-UHFFFAOYSA-N 0 3 324.424 3.955 20 30 DHEDHN CCOc1ccc(CNCc2cccc(C#N)c2)cc1OCC ZINC000066971935 1019656795 /nfs/dbraw/zinc/65/67/95/1019656795.db2.gz WYTPWDGURUNYSX-UHFFFAOYSA-N 0 3 310.397 3.645 20 30 DHEDHN C#CC[C@@H](COC)NCc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000858334023 1032849152 /nfs/dbraw/zinc/84/91/52/1032849152.db2.gz GEIDCWNXPPDWFW-INIZCTEOSA-N 0 3 314.454 3.555 20 30 DHEDHN CN(Cc1cn2ccccc2c1C#N)C1CCC(F)(F)CC1 ZINC000347615768 1019794966 /nfs/dbraw/zinc/79/49/66/1019794966.db2.gz KUBQNQMTSYBERA-UHFFFAOYSA-N 0 3 303.356 3.821 20 30 DHEDHN C=CCC[C@@H](N[C@H]1COc2c(cccc2OC)C1)c1ccco1 ZINC000671745863 1019908646 /nfs/dbraw/zinc/90/86/46/1019908646.db2.gz QIWIZTPTWJDGGB-HZPDHXFCSA-N 0 3 313.397 3.889 20 30 DHEDHN C=CCN1CCC(NC(=S)Nc2ccc(C(C)C)cc2)CC1 ZINC000729943106 1019927081 /nfs/dbraw/zinc/92/70/81/1019927081.db2.gz ZCYAUDPBXRIQRV-UHFFFAOYSA-N 0 3 317.502 3.747 20 30 DHEDHN C=C(C)CN1CCC(NC(=S)Nc2cccc(C)c2C)CC1 ZINC000729942308 1019927125 /nfs/dbraw/zinc/92/71/25/1019927125.db2.gz JGKZMSHMBJDBTA-UHFFFAOYSA-N 0 3 317.502 3.630 20 30 DHEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(C)c(C)c2)CC1 ZINC000729942816 1019927141 /nfs/dbraw/zinc/92/71/41/1019927141.db2.gz SXRTUZPIQGPGNK-UHFFFAOYSA-N 0 3 317.502 3.630 20 30 DHEDHN C=CCCC[C@@H](NCc1cnc2n1CCOC2)c1ccccc1 ZINC000922335928 1020013269 /nfs/dbraw/zinc/01/32/69/1020013269.db2.gz WDNIRCQFAFJTHC-GOSISDBHSA-N 0 3 311.429 3.601 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000318125785 1020027904 /nfs/dbraw/zinc/02/79/04/1020027904.db2.gz MQKWEVKPQPNTJR-NXHRZFHOSA-N 0 3 318.848 3.727 20 30 DHEDHN CCS[C@H]1CC[C@@H](N(C)Cc2cc(C#N)ccc2OC)C1 ZINC000154153931 1020076389 /nfs/dbraw/zinc/07/63/89/1020076389.db2.gz SNBIYJSJHMAHIR-CVEARBPZSA-N 0 3 304.459 3.673 20 30 DHEDHN COc1ccc([C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)cc1 ZINC000155254086 1020206258 /nfs/dbraw/zinc/20/62/58/1020206258.db2.gz UCZLRMNBDVHINB-MRXNPFEDSA-N 0 3 310.372 3.695 20 30 DHEDHN CC[C@@H](C)CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000732206169 1020209708 /nfs/dbraw/zinc/20/97/08/1020209708.db2.gz RMSXKMWMZORPQT-WBVHZDCISA-N 0 3 315.461 3.608 20 30 DHEDHN COC(=O)[C@H](C)[C@@H](NCc1ccc(C#N)cc1C)c1ccccc1 ZINC000186304297 1020226287 /nfs/dbraw/zinc/22/62/87/1020226287.db2.gz SNDUJPBPYNESFF-DNVCBOLYSA-N 0 3 322.408 3.507 20 30 DHEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)c1ccc2ccccc2n1 ZINC000732494365 1020243391 /nfs/dbraw/zinc/24/33/91/1020243391.db2.gz MXQSKZQMABUPHD-JKSUJKDBSA-N 0 3 308.381 3.760 20 30 DHEDHN Cc1ccc(CNCc2ccc(OCC(F)F)cc2)cc1C#N ZINC000922758641 1020252901 /nfs/dbraw/zinc/25/29/01/1020252901.db2.gz FSZXSNGPFQGGHD-UHFFFAOYSA-N 0 3 316.351 3.800 20 30 DHEDHN CCCOc1ccc(CNCc2ccc(C)c(C#N)c2)cc1OC ZINC000922762972 1020255554 /nfs/dbraw/zinc/25/55/54/1020255554.db2.gz QMIMHHHBJGZRKT-UHFFFAOYSA-N 0 3 324.424 3.954 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC)cc1 ZINC000131566694 1020289795 /nfs/dbraw/zinc/28/97/95/1020289795.db2.gz PEODGIJLMAHURF-WWGRRREGSA-N 0 3 300.402 3.894 20 30 DHEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cn2ccccc2c1C#N ZINC000125338306 1020291493 /nfs/dbraw/zinc/29/14/93/1020291493.db2.gz IJYFPJDBAAPBSY-HNNXBMFYSA-N 0 3 319.408 3.580 20 30 DHEDHN N#Cc1ccc(F)c(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000280917628 1020315556 /nfs/dbraw/zinc/31/55/56/1020315556.db2.gz GBNJRQSDYUSBOE-QXAKKESOSA-N 0 3 316.420 3.603 20 30 DHEDHN C(=NOC/C=C\c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000255717419 1020331341 /nfs/dbraw/zinc/33/13/41/1020331341.db2.gz UBIUIRHKQBEBJQ-FIEGPKMKSA-N 0 3 322.408 3.587 20 30 DHEDHN CC(C)(COCc1ccccc1)NCc1ccc(C#N)s1 ZINC000282141535 1020360768 /nfs/dbraw/zinc/36/07/68/1020360768.db2.gz HAARVCRKHPKHPV-UHFFFAOYSA-N 0 3 300.427 3.705 20 30 DHEDHN CN(C)C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000282596969 1020473723 /nfs/dbraw/zinc/47/37/23/1020473723.db2.gz CQHRTMUXBRXSLC-GOSISDBHSA-N 0 3 313.832 3.604 20 30 DHEDHN C[C@H]1CCC[C@H](N(C)Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075637867 1020501747 /nfs/dbraw/zinc/50/17/47/1020501747.db2.gz IXGDIKLLLNUCAD-BBRMVZONSA-N 0 3 310.401 3.619 20 30 DHEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000892489309 1020524718 /nfs/dbraw/zinc/52/47/18/1020524718.db2.gz HPONSHBOSMZHEB-LLVKDONJSA-N 0 3 304.777 3.590 20 30 DHEDHN CC(C)c1nccn1C[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC000359865321 1020573385 /nfs/dbraw/zinc/57/33/85/1020573385.db2.gz DJQZDJGYNFSXAC-CQSZACIVSA-N 0 3 314.458 3.604 20 30 DHEDHN CN(CCc1cccc(F)c1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756681 1020674390 /nfs/dbraw/zinc/67/43/90/1020674390.db2.gz PNJHNJZSWOOGTO-UHFFFAOYSA-N 0 3 304.315 3.650 20 30 DHEDHN C=CCN(Cc1cc(Br)ccc1C)[C@H](C)COC ZINC001171917563 1032919937 /nfs/dbraw/zinc/91/99/37/1032919937.db2.gz ZUHBDBDKZUOTDN-CYBMUJFWSA-N 0 3 312.251 3.780 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3ccccc3F)nc21 ZINC000735792586 1020767742 /nfs/dbraw/zinc/76/77/42/1020767742.db2.gz MRIGSTKTSPRBPZ-JSGCOSHPSA-N 0 3 321.355 3.990 20 30 DHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H](C)c3ccccc3F)[nH]c21 ZINC000735792586 1020767755 /nfs/dbraw/zinc/76/77/55/1020767755.db2.gz MRIGSTKTSPRBPZ-JSGCOSHPSA-N 0 3 321.355 3.990 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3ccsc3)nc21 ZINC000739189833 1020900033 /nfs/dbraw/zinc/90/00/33/1020900033.db2.gz GZWMAOFNSLKRDG-YPMHNXCESA-N 0 3 309.394 3.913 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3cccs3)nc21 ZINC000739192766 1020900065 /nfs/dbraw/zinc/90/00/65/1020900065.db2.gz PJGPUTLJKOEPLQ-RYUDHWBXSA-N 0 3 309.394 3.913 20 30 DHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H](C)c3cccs3)[nH]c21 ZINC000739192766 1020900070 /nfs/dbraw/zinc/90/00/70/1020900070.db2.gz PJGPUTLJKOEPLQ-RYUDHWBXSA-N 0 3 309.394 3.913 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3cccs3)nc21 ZINC000739192770 1020900733 /nfs/dbraw/zinc/90/07/33/1020900733.db2.gz PJGPUTLJKOEPLQ-VXGBXAGGSA-N 0 3 309.394 3.913 20 30 DHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H](C)c3cccs3)[nH]c21 ZINC000739192770 1020900739 /nfs/dbraw/zinc/90/07/39/1020900739.db2.gz PJGPUTLJKOEPLQ-VXGBXAGGSA-N 0 3 309.394 3.913 20 30 DHEDHN N#CC(C(=O)c1cnccc1Oc1ccccc1)c1ccccn1 ZINC000337325910 1032942154 /nfs/dbraw/zinc/94/21/54/1032942154.db2.gz AZBSBQRBCCOPLE-OAHLLOKOSA-N 0 3 315.332 3.759 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1c1ccccc1C ZINC000613492069 1020998652 /nfs/dbraw/zinc/99/86/52/1020998652.db2.gz FKXWIDQFFXUGLU-GOSISDBHSA-N 0 3 300.446 3.557 20 30 DHEDHN N#CC(C(=O)c1ccc2c(c1)CCOC2)c1nc(C2CC2)cs1 ZINC000659115926 1021176974 /nfs/dbraw/zinc/17/69/74/1021176974.db2.gz KEMNYWUXHWTAOA-HNNXBMFYSA-N 0 3 324.405 3.583 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC[C@@H](SC)C2)c([O-])c1 ZINC000743043044 1021207412 /nfs/dbraw/zinc/20/74/12/1021207412.db2.gz PZCJMJTTXBSKBP-NDTRWUQDSA-N 0 3 306.475 3.941 20 30 DHEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)CCC(C)C)cc1 ZINC000917170597 1021208145 /nfs/dbraw/zinc/20/81/45/1021208145.db2.gz OZCAGYKHLJQHSL-QGZVFWFLSA-N 0 3 315.461 3.608 20 30 DHEDHN C=CCCOCCN[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000090883526 1021253042 /nfs/dbraw/zinc/25/30/42/1021253042.db2.gz HEODZHLZPOWZKA-GFCCVEGCSA-N 0 3 313.825 3.601 20 30 DHEDHN CCN(CCOCCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000338921515 1021328121 /nfs/dbraw/zinc/32/81/21/1021328121.db2.gz TXNZEPVXGOTLJG-UHFFFAOYSA-N 0 3 301.217 3.746 20 30 DHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(COC)CCC1 ZINC000361377397 1021357519 /nfs/dbraw/zinc/35/75/19/1021357519.db2.gz OQMPIBYAIZUQRH-UHFFFAOYSA-N 0 3 305.466 3.659 20 30 DHEDHN CC(C)COc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000069784892 1021359417 /nfs/dbraw/zinc/35/94/17/1021359417.db2.gz HRUJHYZNOWUDNT-UHFFFAOYSA-N 0 3 324.424 3.914 20 30 DHEDHN C=CCCC1(CNC(=O)C[C@@H](N)c2ccccc2)CCCC1 ZINC000659334509 1021379015 /nfs/dbraw/zinc/37/90/15/1021379015.db2.gz LQVALVOTSLMKOE-QGZVFWFLSA-N 0 3 300.446 3.719 20 30 DHEDHN CC[C@@H](CC#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172092930 1032984153 /nfs/dbraw/zinc/98/41/53/1032984153.db2.gz CHGBSMPFHDHTSP-YHUYYLMFSA-N 0 3 321.465 3.589 20 30 DHEDHN C#CCCOc1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1 ZINC000850386964 1021503669 /nfs/dbraw/zinc/50/36/69/1021503669.db2.gz NKVGJVQEVJOMEW-FQEVSTJZSA-N 0 3 307.393 3.571 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1 ZINC000850394738 1021508537 /nfs/dbraw/zinc/50/85/37/1021508537.db2.gz BGRHMJJGKJJNDH-SFTDATJTSA-N 0 3 323.436 3.546 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CCC4(CCC4)O3)nc21 ZINC000892706985 1021517500 /nfs/dbraw/zinc/51/75/00/1021517500.db2.gz XYMLCROGIIDRSO-KGLIPLIRSA-N 0 3 323.396 3.539 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CCC4(CCC4)O3)nc21 ZINC000892706996 1021521306 /nfs/dbraw/zinc/52/13/06/1021521306.db2.gz XYMLCROGIIDRSO-ZIAGYGMSSA-N 0 3 323.396 3.539 20 30 DHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000618806223 1021533939 /nfs/dbraw/zinc/53/39/39/1021533939.db2.gz OXKLRHYDMAFBLN-XIKOKIGWSA-N 0 3 307.353 3.805 20 30 DHEDHN COc1cccc(C[C@@H]2CCCN2Cc2cccc(C#N)c2F)c1 ZINC000538140135 1032994398 /nfs/dbraw/zinc/99/43/98/1032994398.db2.gz RCQRISKLHOAXKX-SFHVURJKSA-N 0 3 324.399 3.913 20 30 DHEDHN CCCC[C@@](C)(F)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000850739212 1021635188 /nfs/dbraw/zinc/63/51/88/1021635188.db2.gz UGYOEGTZARMFBO-SJKOYZFVSA-N 0 3 301.365 3.668 20 30 DHEDHN CCCCCCCCCN(C)Cc1cc(=O)n2ccsc2n1 ZINC000918741690 1021639249 /nfs/dbraw/zinc/63/92/49/1021639249.db2.gz MHOHOOAXELJFLN-UHFFFAOYSA-N 0 3 321.490 3.938 20 30 DHEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)C1CC2(CC2)C1 ZINC000850759595 1021641702 /nfs/dbraw/zinc/64/17/02/1021641702.db2.gz KUQQZDGJWKGNET-MRXNPFEDSA-N 0 3 318.376 3.677 20 30 DHEDHN COC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000613667777 1021675250 /nfs/dbraw/zinc/67/52/50/1021675250.db2.gz PUCMWELSUOSBCD-DFBGVHRSSA-N 0 3 312.335 3.675 20 30 DHEDHN COc1cccc2c1CC[C@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000619754504 1021864312 /nfs/dbraw/zinc/86/43/12/1021864312.db2.gz BOKPMIGEOMGODF-QGZVFWFLSA-N 0 3 312.800 3.997 20 30 DHEDHN CCc1ccc(C(C)(C)NCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000538260136 1033019398 /nfs/dbraw/zinc/01/93/98/1033019398.db2.gz YFMZRJKAJXRTBO-UHFFFAOYSA-N 0 3 321.424 3.584 20 30 DHEDHN N#Cc1cccc(C2(NCc3ccc(-n4ccnc4)cc3)CC2)c1 ZINC000341241825 1022062598 /nfs/dbraw/zinc/06/25/98/1022062598.db2.gz ZXBUGHGWGDEBDS-UHFFFAOYSA-N 0 3 314.392 3.523 20 30 DHEDHN CC(=O)Oc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000852353620 1022112422 /nfs/dbraw/zinc/11/24/22/1022112422.db2.gz CDDAQKBWJASODI-UHFFFAOYSA-N 0 3 308.381 3.508 20 30 DHEDHN Cc1cccc(C2(O)CCN(CCC(C)(C)C#N)CC2)c1C ZINC000776589723 1022115390 /nfs/dbraw/zinc/11/53/90/1022115390.db2.gz WAKRNVYNBKBBFD-UHFFFAOYSA-N 0 3 300.446 3.527 20 30 DHEDHN C=CC[N@@H+](Cc1cc(=O)oc2c(C)c([O-])ccc12)C(C)(C)C ZINC000852554429 1022140406 /nfs/dbraw/zinc/14/04/06/1022140406.db2.gz MIIGZVQLMNZOKW-UHFFFAOYSA-N 0 3 301.386 3.594 20 30 DHEDHN C=CC[N@H+](Cc1cc(=O)oc2c(C)c([O-])ccc12)C(C)(C)C ZINC000852554429 1022140411 /nfs/dbraw/zinc/14/04/11/1022140411.db2.gz MIIGZVQLMNZOKW-UHFFFAOYSA-N 0 3 301.386 3.594 20 30 DHEDHN C[C@]1(Br)C[C@@H]1CN[C@H](CCC#N)c1ccccc1 ZINC000893195202 1022212539 /nfs/dbraw/zinc/21/25/39/1022212539.db2.gz VRMXMZCQNBLTOX-KFWWJZLASA-N 0 3 307.235 3.795 20 30 DHEDHN Cc1ncc(CN=Nc2cc(C)c3ccc(C)c(C)c3n2)n1C ZINC000853281335 1022249193 /nfs/dbraw/zinc/24/91/93/1022249193.db2.gz YYJKNWYWVUAROE-UHFFFAOYSA-N 0 3 307.401 3.648 20 30 DHEDHN COc1cc(CN2CCC[C@@H](CC#N)C2)c(O)c(C(C)(C)C)c1 ZINC000853524996 1022285773 /nfs/dbraw/zinc/28/57/73/1022285773.db2.gz AYABCDBWQZRSGR-AWEZNQCLSA-N 0 3 316.445 3.824 20 30 DHEDHN CN(C)/C=N/c1ccc(N[C@H]2CCCC(F)(F)C2)cc1C#N ZINC001169220537 1022308057 /nfs/dbraw/zinc/30/80/57/1022308057.db2.gz VZNUVUABEFDEOX-HXJASHHUSA-N 0 3 306.360 3.769 20 30 DHEDHN C[C@H](CN1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC000609739439 1022342562 /nfs/dbraw/zinc/34/25/62/1022342562.db2.gz LVFSKQUKNNLNTP-MRXNPFEDSA-N 0 3 323.415 3.623 20 30 DHEDHN C=CCN(C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001169494214 1022425037 /nfs/dbraw/zinc/42/50/37/1022425037.db2.gz FUVCZQYJGDPFGD-UHFFFAOYSA-N 0 3 316.445 3.598 20 30 DHEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2F)C1(CC)CC ZINC001169582836 1022468947 /nfs/dbraw/zinc/46/89/47/1022468947.db2.gz UTFUVYOREAVONQ-HZPDHXFCSA-N 0 3 304.409 3.771 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2Cc3ccccc3C[C@H]2C)cc1 ZINC000179909727 1022578349 /nfs/dbraw/zinc/57/83/49/1022578349.db2.gz CEIKFXNBJGZQJV-CVEARBPZSA-N 0 3 306.409 3.924 20 30 DHEDHN CC(=O)c1ccc2c(c1)CN([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172309620 1033078345 /nfs/dbraw/zinc/07/83/45/1033078345.db2.gz AJFSCMGOIAXQFB-HNNXBMFYSA-N 0 3 318.420 3.750 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000767692670 1022771962 /nfs/dbraw/zinc/77/19/62/1022771962.db2.gz XHFYIGDOZKZIFE-LJQANCHMSA-N 0 3 319.408 3.837 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000767689772 1022782617 /nfs/dbraw/zinc/78/26/17/1022782617.db2.gz OOJBELVCSVOIED-RZKQZQCBSA-N 0 3 316.445 3.759 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000876556864 1033093428 /nfs/dbraw/zinc/09/34/28/1033093428.db2.gz WSECRVOONKZXKF-UFBFGSQYSA-N 0 3 321.635 3.641 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)ccc1OCCC ZINC000876591638 1033099189 /nfs/dbraw/zinc/09/91/89/1033099189.db2.gz APOQJXRLKYYZNC-NSHDSACASA-N 0 3 317.216 3.537 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000876571558 1033095901 /nfs/dbraw/zinc/09/59/01/1033095901.db2.gz MNZOVZNWQPILRL-KGLIPLIRSA-N 0 3 315.244 3.623 20 30 DHEDHN Cc1cccc(C2=CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000092821906 1023123340 /nfs/dbraw/zinc/12/33/40/1023123340.db2.gz SARPWZJXOCVHAO-NRFANRHFSA-N 0 3 318.420 3.689 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCCc3sccc3C2)cc1 ZINC000769380814 1023136101 /nfs/dbraw/zinc/13/61/01/1023136101.db2.gz JVHSCLWFKLPEGB-CQSZACIVSA-N 0 3 312.438 3.987 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000876650297 1033113952 /nfs/dbraw/zinc/11/39/52/1033113952.db2.gz ANHCXKQGNPLQMG-PWSUYJOCSA-N 0 3 308.834 3.548 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2cnc(C)s2)c([O-])c1 ZINC000771837902 1023473980 /nfs/dbraw/zinc/47/39/80/1023473980.db2.gz YSTJEZFOQOMJEG-WOJGMQOQSA-N 0 3 317.458 3.665 20 30 DHEDHN CC1(C)CN(Cc2ccc(OCC#N)cc2)CC2(CCCC2)O1 ZINC000785538490 1023589103 /nfs/dbraw/zinc/58/91/03/1023589103.db2.gz JTMZATHMKMQGIK-UHFFFAOYSA-N 0 3 314.429 3.513 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000785617639 1023599234 /nfs/dbraw/zinc/59/92/34/1023599234.db2.gz QZTXMWDEKAOZHA-XOBRGWDASA-N 0 3 317.392 3.626 20 30 DHEDHN C=CCC(CC=C)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000772690911 1023732230 /nfs/dbraw/zinc/73/22/30/1023732230.db2.gz QUHKUTHYXYUYOP-UHFFFAOYSA-N 0 3 317.429 3.803 20 30 DHEDHN C=CCOC[C@H]1c2c(ncn2C)CCN1[C@H](C)CCCC(C)C ZINC001170083261 1023864727 /nfs/dbraw/zinc/86/47/27/1023864727.db2.gz OGOSLRHQZRRPNW-AEFFLSMTSA-N 0 3 319.493 3.737 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000876899111 1033177758 /nfs/dbraw/zinc/17/77/58/1033177758.db2.gz GNJBCGDLYHTGOK-HZPDHXFCSA-N 0 3 306.837 3.504 20 30 DHEDHN CC(C)N(Cc1ccccc1F)C[C@H](O)c1ccc(C#N)cc1 ZINC000268667034 1024139634 /nfs/dbraw/zinc/13/96/34/1024139634.db2.gz JMCSQDPGJUTCRX-IBGZPJMESA-N 0 3 312.388 3.641 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000268821383 1024169555 /nfs/dbraw/zinc/16/95/55/1024169555.db2.gz SCEMAXBCLKJFKC-FBJOKTGGSA-N 0 3 312.438 3.707 20 30 DHEDHN COc1ccc(-c2nc(CN[C@H](C)CCCC#N)cs2)cc1 ZINC001172483218 1033195109 /nfs/dbraw/zinc/19/51/09/1033195109.db2.gz NODPLXSONBRQAZ-CYBMUJFWSA-N 0 3 315.442 3.991 20 30 DHEDHN COc1ccc(Oc2ccc(CN=Nc3nccn3C)cc2)cc1 ZINC000790300976 1024276424 /nfs/dbraw/zinc/27/64/24/1024276424.db2.gz AGFMNMFWTWGXHD-UHFFFAOYSA-N 0 3 322.368 3.667 20 30 DHEDHN C=CCC[C@H](NC[C@H]1CCC2(CCOCC2)CO1)c1ccco1 ZINC000883263348 1024336745 /nfs/dbraw/zinc/33/67/45/1024336745.db2.gz QDHXIMRXTMPXLP-SJORKVTESA-N 0 3 319.445 3.852 20 30 DHEDHN C#CCN(Cc1cc(=O)oc2cc(C)c(C)cc12)C1CCCC1 ZINC000756912481 1024381358 /nfs/dbraw/zinc/38/13/58/1024381358.db2.gz WEOGCXFHMCGFJF-UHFFFAOYSA-N 0 3 309.409 3.788 20 30 DHEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)c1ccc(F)cc1 ZINC000877020370 1033208597 /nfs/dbraw/zinc/20/85/97/1033208597.db2.gz QPSSSVHDVCTOMY-LLVKDONJSA-N 0 3 303.768 3.639 20 30 DHEDHN C=C[C@@H](COC)N[C@H](CC)c1cc(F)cc(Br)c1 ZINC001320427933 1024452310 /nfs/dbraw/zinc/45/23/10/1024452310.db2.gz NVDZLSWZYNWWCG-UONOGXRCSA-N 0 3 316.214 3.830 20 30 DHEDHN CO[C@](C)(CN[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000453323327 1024463122 /nfs/dbraw/zinc/46/31/22/1024463122.db2.gz PMHUMZOYNUCQMJ-AUUYWEPGSA-N 0 3 312.388 3.910 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000453345639 1024472170 /nfs/dbraw/zinc/47/21/70/1024472170.db2.gz GDOAYNUDASDWHM-BIMULSAOSA-N 0 3 317.763 3.936 20 30 DHEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453346499 1024474451 /nfs/dbraw/zinc/47/44/51/1024474451.db2.gz IGHYXQDZLVJUAQ-CVEARBPZSA-N 0 3 312.413 3.852 20 30 DHEDHN N#Cc1ccc(CN[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000075943882 1024520187 /nfs/dbraw/zinc/52/01/87/1024520187.db2.gz AFSYJTHBGPZIQZ-NRFANRHFSA-N 0 3 319.452 3.875 20 30 DHEDHN CCOCCOc1cc(C)ccc1CN[C@@H](C)CC(C)(C)C#N ZINC000925251391 1024521622 /nfs/dbraw/zinc/52/16/22/1024521622.db2.gz WVLLBOKCDJUYLH-INIZCTEOSA-N 0 3 318.461 3.828 20 30 DHEDHN C[C@H](CCCC#N)NCc1c(F)cc(Br)cc1F ZINC001172489385 1033222618 /nfs/dbraw/zinc/22/26/18/1033222618.db2.gz REKPBHDNYOAGGI-SECBINFHSA-N 0 3 317.177 3.899 20 30 DHEDHN C[C@@H](CCCC#N)N1CCN(c2nsc3ccccc32)CC1 ZINC001172495247 1033225430 /nfs/dbraw/zinc/22/54/30/1033225430.db2.gz CMYLKNVPCDECOC-AWEZNQCLSA-N 0 3 314.458 3.501 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1F ZINC000792246430 1024652471 /nfs/dbraw/zinc/65/24/71/1024652471.db2.gz IIYWSGOOXDPKSI-PMACEKPBSA-N 0 3 324.399 3.785 20 30 DHEDHN C[C@@H](CCCC#N)NCc1c(F)cc(Br)cc1F ZINC001172489387 1033223711 /nfs/dbraw/zinc/22/37/11/1033223711.db2.gz REKPBHDNYOAGGI-VIFPVBQESA-N 0 3 317.177 3.899 20 30 DHEDHN CN1CCCC[C@@H]1c1ccc(NCc2ccc(C#N)s2)nc1 ZINC001170200084 1024699693 /nfs/dbraw/zinc/69/96/93/1024699693.db2.gz VLJHQVARTXDSRF-MRXNPFEDSA-N 0 3 312.442 3.784 20 30 DHEDHN C[C@@H](CCCC#N)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001172507508 1033234190 /nfs/dbraw/zinc/23/41/90/1033234190.db2.gz VLMOPTLZQFRHEK-HNNXBMFYSA-N 0 3 305.853 3.540 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N2Cc3ccncc3C2)CC1 ZINC001170388702 1024762079 /nfs/dbraw/zinc/76/20/79/1024762079.db2.gz AFBUSGQRKCUDET-UHFFFAOYSA-N 0 3 303.409 3.801 20 30 DHEDHN CC(C)[C@@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC001170394793 1024762350 /nfs/dbraw/zinc/76/23/50/1024762350.db2.gz AOYGURYOKKYZET-GPJFCIFZSA-N 0 3 312.457 3.747 20 30 DHEDHN CC(C)O[C@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C1(C)C ZINC001170399972 1024767902 /nfs/dbraw/zinc/76/79/02/1024767902.db2.gz OVGGFXZEFHHKAR-SJORKVTESA-N 0 3 305.849 3.873 20 30 DHEDHN CCCCCCC[C@@H](CCC)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001172511250 1033238518 /nfs/dbraw/zinc/23/85/18/1033238518.db2.gz PFQFWBSQTUHDNM-HZPDHXFCSA-N 0 3 303.512 3.635 20 30 DHEDHN N#Cc1csc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000182117398 1024908177 /nfs/dbraw/zinc/90/81/77/1024908177.db2.gz VPMKNXJYSAWGTQ-JKSUJKDBSA-N 0 3 318.829 3.893 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(-n3cccn3)cc1)CC2 ZINC000353271112 1025010359 /nfs/dbraw/zinc/01/03/59/1025010359.db2.gz YABDVWLTPCHDAP-HXUWFJFHSA-N 0 3 314.392 3.521 20 30 DHEDHN C[C@H]1CC(C)(C)CC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120762227 1025055132 /nfs/dbraw/zinc/05/51/32/1025055132.db2.gz KPDVJPZWYWGAGV-XJKSGUPXSA-N 0 3 324.428 3.913 20 30 DHEDHN CCCCN(CCC#N)[C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170443675 1025238152 /nfs/dbraw/zinc/23/81/52/1025238152.db2.gz RAJGSOACJVFGOV-INIZCTEOSA-N 0 3 302.418 3.752 20 30 DHEDHN C[C@@H](c1ccccc1Cl)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000885960859 1025419821 /nfs/dbraw/zinc/41/98/21/1025419821.db2.gz QQCOVOIVBDCYGO-UONOGXRCSA-N 0 3 306.837 3.778 20 30 DHEDHN C=CCC[C@@H](O)CN1CC=C(c2ccccc2OCC)CC1 ZINC000124460549 1025430527 /nfs/dbraw/zinc/43/05/27/1025430527.db2.gz VYKFDXUDIDOROD-QGZVFWFLSA-N 0 3 301.430 3.502 20 30 DHEDHN CCC[C@H](NC[C@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886111383 1025510670 /nfs/dbraw/zinc/51/06/70/1025510670.db2.gz AIXFHXYGPHZUPP-PBHICJAKSA-N 0 3 322.399 3.840 20 30 DHEDHN CCC[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886111386 1025511228 /nfs/dbraw/zinc/51/12/28/1025511228.db2.gz AIXFHXYGPHZUPP-YOEHRIQHSA-N 0 3 322.399 3.840 20 30 DHEDHN C=C(C)[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccc(F)c(F)c1 ZINC000886140160 1025525201 /nfs/dbraw/zinc/52/52/01/1025525201.db2.gz AYNGPFHFYUKWOQ-WMLDXEAASA-N 0 3 320.383 3.616 20 30 DHEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000886355437 1025601733 /nfs/dbraw/zinc/60/17/33/1025601733.db2.gz IQZNACRBLLOARO-IAGOWNOFSA-N 0 3 312.457 3.791 20 30 DHEDHN C=CCCC[C@H](C)N(CC)CC(=O)Nc1c(F)cccc1F ZINC000539196699 1033294360 /nfs/dbraw/zinc/29/43/60/1033294360.db2.gz GUPPNURCXVFBSV-ZDUSSCGKSA-N 0 3 310.388 3.970 20 30 DHEDHN C=CCOc1ccccc1CN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000355278028 1025663525 /nfs/dbraw/zinc/66/35/25/1025663525.db2.gz XOFMRZIUVGSPLH-SJLPKXTDSA-N 0 3 311.429 3.531 20 30 DHEDHN N#CCCCCCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000805901667 1025705392 /nfs/dbraw/zinc/70/53/92/1025705392.db2.gz TUHIHUZMYCEODM-UHFFFAOYSA-N 0 3 318.417 3.509 20 30 DHEDHN C[C@H]1CC[C@@H](N(C)Cc2ccc(Br)cc2C#N)C1 ZINC000573395555 1025707825 /nfs/dbraw/zinc/70/78/25/1025707825.db2.gz QWQVVTPALIVTAQ-XHDPSFHLSA-N 0 3 307.235 3.941 20 30 DHEDHN COc1c(Cl)cccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000897479767 1025738071 /nfs/dbraw/zinc/73/80/71/1025738071.db2.gz HTEZJQXUFSMGDD-ZDUSSCGKSA-N 0 3 322.836 3.537 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1cnc2n1CCCC2 ZINC000573748368 1025747435 /nfs/dbraw/zinc/74/74/35/1025747435.db2.gz OITKVHZAVAIYNO-LJQANCHMSA-N 0 3 320.440 3.648 20 30 DHEDHN Cc1csc(C[C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC000886692453 1025798425 /nfs/dbraw/zinc/79/84/25/1025798425.db2.gz ZCNSDFXKDTYTDW-KRWDZBQOSA-N 0 3 311.454 3.778 20 30 DHEDHN CC(C)OC(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000886732524 1025848537 /nfs/dbraw/zinc/84/85/37/1025848537.db2.gz INKVYGUEBRHDGJ-UHFFFAOYSA-N 0 3 306.450 3.514 20 30 DHEDHN C=CCC[C@H](NC[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1ccco1 ZINC000886771670 1025890848 /nfs/dbraw/zinc/89/08/48/1025890848.db2.gz LTWRNEGXVRRTFD-CNMWIUBYSA-N 0 3 319.445 3.849 20 30 DHEDHN CCOCc1ccccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000236990323 1026001411 /nfs/dbraw/zinc/00/14/11/1026001411.db2.gz OOEACOYDVLUSFK-INIZCTEOSA-N 0 3 324.424 3.804 20 30 DHEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000532968080 1026153663 /nfs/dbraw/zinc/15/36/63/1026153663.db2.gz ROHUGCXTBFIDKY-OAHLLOKOSA-N 0 3 304.434 3.700 20 30 DHEDHN CC(=NN[C@@H]1CCSC1)c1ccc(N2CCCCCC2)cc1 ZINC000808004199 1026175600 /nfs/dbraw/zinc/17/56/00/1026175600.db2.gz IGBJATHFVLTYTF-QGZVFWFLSA-N 0 3 317.502 3.886 20 30 DHEDHN CCN(Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1C ZINC000614397730 1026290933 /nfs/dbraw/zinc/29/09/33/1026290933.db2.gz YNGNPGGGZNKXFA-UHFFFAOYSA-N 0 3 308.381 3.618 20 30 DHEDHN C=CC(C)(C)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000628316423 1026329618 /nfs/dbraw/zinc/32/96/18/1026329618.db2.gz UEAHZASXYKWUGN-UHFFFAOYSA-N 0 3 314.429 3.827 20 30 DHEDHN C#Cc1ccc(CNCc2cc(Br)cs2)cc1 ZINC000809606858 1026561771 /nfs/dbraw/zinc/56/17/71/1026561771.db2.gz HQQKVAZOVBIVOZ-UHFFFAOYSA-N 0 3 306.228 3.782 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000809601532 1026571669 /nfs/dbraw/zinc/57/16/69/1026571669.db2.gz FIPCNDFFMFBTLW-UHFFFAOYSA-N 0 3 317.335 3.568 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cc(C)c(O)c(C)c2)c1 ZINC000809621083 1026572950 /nfs/dbraw/zinc/57/29/50/1026572950.db2.gz UOLIRAPJLJRSFB-GOSISDBHSA-N 0 3 324.424 3.980 20 30 DHEDHN C#Cc1ccc(CN[C@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000809663862 1026590153 /nfs/dbraw/zinc/59/01/53/1026590153.db2.gz WBGDQUZHXQLDOF-LJQANCHMSA-N 0 3 312.844 3.714 20 30 DHEDHN C#C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000809683507 1026591282 /nfs/dbraw/zinc/59/12/82/1026591282.db2.gz FOIVURISPXFLHQ-HNNXBMFYSA-N 0 3 319.383 3.790 20 30 DHEDHN C#C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000809684055 1026591386 /nfs/dbraw/zinc/59/13/86/1026591386.db2.gz ZNQOHVVCZHQTHW-QGZVFWFLSA-N 0 3 315.420 3.959 20 30 DHEDHN C#C[C@@H](C)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000809683476 1026591824 /nfs/dbraw/zinc/59/18/24/1026591824.db2.gz CRLRCLNBJXZXCG-QGZVFWFLSA-N 0 3 315.420 3.710 20 30 DHEDHN C#C[C@H](NCc1c(C)nn(-c2ccc(F)cc2F)c1C)C(C)C ZINC000809685112 1026592533 /nfs/dbraw/zinc/59/25/33/1026592533.db2.gz AEEWUCHBHYGLEH-KRWDZBQOSA-N 0 3 317.383 3.515 20 30 DHEDHN C#C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000809683745 1026593061 /nfs/dbraw/zinc/59/30/61/1026593061.db2.gz MPOAJFYVFKIVFK-AWEZNQCLSA-N 0 3 307.422 3.712 20 30 DHEDHN C#C[C@H](NCc1ccc(OCC(F)(F)F)c(F)c1)C(C)C ZINC000809685264 1026593986 /nfs/dbraw/zinc/59/39/86/1026593986.db2.gz KPZNAMUHRSEUNR-ZDUSSCGKSA-N 0 3 303.299 3.514 20 30 DHEDHN C#C[C@H](NCc1cc(Cl)c(OCC)c(OC)c1)C(C)(C)C ZINC000809781351 1026622880 /nfs/dbraw/zinc/62/28/80/1026622880.db2.gz PGCQVSRHHDITQX-HNNXBMFYSA-N 0 3 309.837 3.885 20 30 DHEDHN COc1ccc(CNCc2ccc(SC)s2)cc1C#N ZINC000810151292 1026695482 /nfs/dbraw/zinc/69/54/82/1026695482.db2.gz WWYHRCRMKKDSIU-UHFFFAOYSA-N 0 3 304.440 3.640 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000419844639 1026767501 /nfs/dbraw/zinc/76/75/01/1026767501.db2.gz ZWIGLQCRRNCZFC-ZDUSSCGKSA-N 0 3 313.426 3.995 20 30 DHEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@@]23CCOC3)cc1 ZINC000421019893 1026919782 /nfs/dbraw/zinc/91/97/82/1026919782.db2.gz MXYCEDXCCFHRIL-FQEVSTJZSA-N 0 3 304.393 3.590 20 30 DHEDHN CCCOCc1ccccc1CNCc1ccc(C#N)c(F)c1 ZINC000421334659 1026961181 /nfs/dbraw/zinc/96/11/81/1026961181.db2.gz QOQRZWAJGLXAEM-UHFFFAOYSA-N 0 3 312.388 3.914 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)s1 ZINC000362388593 1027179024 /nfs/dbraw/zinc/17/90/24/1027179024.db2.gz HBESCZQFYKRYJC-ROUUACIJSA-N 0 3 312.438 3.708 20 30 DHEDHN C[C@H]1CN(CCCCC2(C#N)CCC2)CC[C@@H](C(F)(F)F)O1 ZINC000931615395 1027189344 /nfs/dbraw/zinc/18/93/44/1027189344.db2.gz AOHPSXBLAWIRJD-KBPBESRZSA-N 0 3 318.383 3.892 20 30 DHEDHN CC(=NOCCOC(C)C)c1ccc(N2CCCCC2)cc1 ZINC000812238758 1027221414 /nfs/dbraw/zinc/22/14/14/1027221414.db2.gz FJSRMVSYKAXCIH-UHFFFAOYSA-N 0 3 304.434 3.843 20 30 DHEDHN N#CCc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000572841497 1027236364 /nfs/dbraw/zinc/23/63/64/1027236364.db2.gz XUACIVIIBNRNPR-IBGZPJMESA-N 0 3 321.380 3.828 20 30 DHEDHN Cc1ccc(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1C#N ZINC000931908742 1027295574 /nfs/dbraw/zinc/29/55/74/1027295574.db2.gz BNBSRQRXMNXWCQ-CQSZACIVSA-N 0 3 312.310 3.733 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913898 1027305290 /nfs/dbraw/zinc/30/52/90/1027305290.db2.gz QCARXDMMJNKBPR-RISCZKNCSA-N 0 3 312.310 3.986 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN2CC3(CCC3)[C@H]2c2ccccc2)cc1 ZINC000295823249 1027445915 /nfs/dbraw/zinc/44/59/15/1027445915.db2.gz CEKAWCSXVGFWLJ-VQTJNVASSA-N 0 3 318.420 3.819 20 30 DHEDHN CCN(CC#Cc1ccc(F)cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849605 1027446570 /nfs/dbraw/zinc/44/65/70/1027446570.db2.gz OSCRPMFIEHLUKA-JXFKEZNVSA-N 0 3 311.400 3.621 20 30 DHEDHN Cc1cc(CN2CC=C(c3ccc(O)cc3)CC2)ccc1C#N ZINC000362956543 1027463579 /nfs/dbraw/zinc/46/35/79/1027463579.db2.gz AEGKRPIXEGPJGL-UHFFFAOYSA-N 0 3 304.393 3.862 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCC#N)cc1 ZINC000813060274 1027509313 /nfs/dbraw/zinc/50/93/13/1027509313.db2.gz UCKOZBFOZPKKOS-XJKSGUPXSA-N 0 3 311.385 3.541 20 30 DHEDHN N#CCC1(CN2CCC(Cc3nc4c(s3)CCC4)CC2)CC1 ZINC000932622628 1027567241 /nfs/dbraw/zinc/56/72/41/1027567241.db2.gz IUNAJJILMLGUNG-UHFFFAOYSA-N 0 3 315.486 3.580 20 30 DHEDHN C#CCC1(NCC(=O)Nc2ccccc2-c2ccccc2)CCC1 ZINC000933299758 1027713535 /nfs/dbraw/zinc/71/35/35/1027713535.db2.gz JJEWCPMNFSHWOZ-UHFFFAOYSA-N 0 3 318.420 3.828 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CC[C@H](SC)C1 ZINC000778172339 1027740878 /nfs/dbraw/zinc/74/08/78/1027740878.db2.gz HTHMDOGGEKQLIL-STQMWFEESA-N 0 3 309.862 3.726 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCC1(CCOC)CCC1 ZINC000778174855 1027743355 /nfs/dbraw/zinc/74/33/55/1027743355.db2.gz ZOIPCHWHGOYJOF-UHFFFAOYSA-N 0 3 321.848 3.648 20 30 DHEDHN COc1cccc(C[C@@H]2CCCN2CC#Cc2ccccc2)c1 ZINC000577454302 1027775251 /nfs/dbraw/zinc/77/52/51/1027775251.db2.gz LOIJZJNIYJNIDT-FQEVSTJZSA-N 0 3 305.421 3.754 20 30 DHEDHN N#Cc1ccc(C2CCN(C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000933614765 1027776979 /nfs/dbraw/zinc/77/69/79/1027776979.db2.gz SZEIFJWNBQIEGD-HNNXBMFYSA-N 0 3 309.240 3.931 20 30 DHEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)cs1 ZINC000527813250 1027897620 /nfs/dbraw/zinc/89/76/20/1027897620.db2.gz WUVQYOOXMHTOCW-UHFFFAOYSA-N 0 3 312.438 3.724 20 30 DHEDHN CC(C)[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000008003002 1027961164 /nfs/dbraw/zinc/96/11/64/1027961164.db2.gz UBVRLASRHPTIOJ-BEFAXECRSA-N 0 3 321.424 3.872 20 30 DHEDHN CC(C)[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000008002970 1027962534 /nfs/dbraw/zinc/96/25/34/1027962534.db2.gz HCCUVPUJDGUHKA-HNAYVOBHSA-N 0 3 321.424 3.872 20 30 DHEDHN C#C[C@H]1CCCCN1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000934513748 1028026950 /nfs/dbraw/zinc/02/69/50/1028026950.db2.gz CJAVAPHNLRWHPJ-ZDUSSCGKSA-N 0 3 324.346 3.522 20 30 DHEDHN CCOCc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000299468730 1028057850 /nfs/dbraw/zinc/05/78/50/1028057850.db2.gz NGGXCWMBVNFKNT-OAHLLOKOSA-N 0 3 324.424 3.954 20 30 DHEDHN C[C@@H](NCC[C@@](C)(O)c1ccccc1)c1ccc(C#N)cc1F ZINC000779088416 1028224913 /nfs/dbraw/zinc/22/49/13/1028224913.db2.gz WAQOAWCCEBLOFC-AUUYWEPGSA-N 0 3 312.388 3.646 20 30 DHEDHN C[C@@H](NCC[C@](C)(O)c1ccccc1)c1ccc(C#N)cc1F ZINC000779088421 1028225606 /nfs/dbraw/zinc/22/56/06/1028225606.db2.gz WAQOAWCCEBLOFC-KUHUBIRLSA-N 0 3 312.388 3.646 20 30 DHEDHN C=CCN(CCc1ncc(C)cc1C)Cc1cccc(C#N)c1 ZINC000579116076 1028327159 /nfs/dbraw/zinc/32/71/59/1028327159.db2.gz FBNCDTMLQWXNGR-UHFFFAOYSA-N 0 3 305.425 3.801 20 30 DHEDHN CC(C)c1nccn1[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000369032904 1028436331 /nfs/dbraw/zinc/43/63/31/1028436331.db2.gz SZEKWWYKXLDWCI-SFHVURJKSA-N 0 3 308.429 3.715 20 30 DHEDHN CCCCCNC(=O)C(C#N)C(=O)CC[C@@H](C)c1ccccc1 ZINC000160121756 1028458632 /nfs/dbraw/zinc/45/86/32/1028458632.db2.gz QLBOSJWRIQGKBG-NVXWUHKLSA-N 0 3 314.429 3.586 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccc(F)cc3)CC2)nc1 ZINC000565312204 1028571173 /nfs/dbraw/zinc/57/11/73/1028571173.db2.gz PDNKRPDHCQVOFN-MRXNPFEDSA-N 0 3 309.388 3.862 20 30 DHEDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cn1 ZINC000565488476 1028594540 /nfs/dbraw/zinc/59/45/40/1028594540.db2.gz MCGCIZNZSHINQT-UYAOXDASSA-N 0 3 321.424 3.742 20 30 DHEDHN Cc1cccc(CCC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000041542561 1028745613 /nfs/dbraw/zinc/74/56/13/1028745613.db2.gz RUNCCVYVKDWLMU-HNNXBMFYSA-N 0 3 304.349 3.945 20 30 DHEDHN Cc1ccc(C[C@H]2CCCN(Cc3ccc(C#N)cn3)C2)cc1 ZINC000567286200 1028866849 /nfs/dbraw/zinc/86/68/49/1028866849.db2.gz DQIQXGXGVKRULI-GOSISDBHSA-N 0 3 305.425 3.716 20 30 DHEDHN C[C@@H]1[C@H](OC(=O)CC(C)(C)C#N)CCCN1Cc1ccccc1 ZINC000816472108 1028903223 /nfs/dbraw/zinc/90/32/23/1028903223.db2.gz VAECWTOVMCITNE-NVXWUHKLSA-N 0 3 314.429 3.523 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528909760 1028918391 /nfs/dbraw/zinc/91/83/91/1028918391.db2.gz OKFGULLEYDBCMA-MJBXVCDLSA-N 0 3 321.405 3.615 20 30 DHEDHN C#CCN(Cc1ccccc1)Cc1ccccc1-c1ccnn1C ZINC000816610108 1028961405 /nfs/dbraw/zinc/96/14/05/1028961405.db2.gz YDIVHCKKTWARGA-UHFFFAOYSA-N 0 3 315.420 3.723 20 30 DHEDHN C[C@H]1CN(Cc2cccc(OCc3ccccc3C#N)c2)[C@H]1C ZINC000816647780 1028975476 /nfs/dbraw/zinc/97/54/76/1028975476.db2.gz YAYDEQNEWCLTFL-HOTGVXAUSA-N 0 3 306.409 3.977 20 30 DHEDHN COc1cccc(C2(CNC[C@H](C#N)CCC#N)CCCC2)c1 ZINC000568785149 1029125186 /nfs/dbraw/zinc/12/51/86/1029125186.db2.gz RPZIBQNWBBXKLM-INIZCTEOSA-N 0 3 311.429 3.540 20 30 DHEDHN C=CCCCCN1CCN(c2nccc3sccc32)CC1 ZINC001170869667 1029173262 /nfs/dbraw/zinc/17/32/62/1029173262.db2.gz AOILZDYOKJXAGR-UHFFFAOYSA-N 0 3 301.459 3.775 20 30 DHEDHN Cc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1C ZINC000190926846 1029215333 /nfs/dbraw/zinc/21/53/33/1029215333.db2.gz SZNIPKMBABOBBZ-HNNXBMFYSA-N 0 3 301.349 3.737 20 30 DHEDHN CC[C@@H]1C[C@@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])CCO1 ZINC000817708485 1029231605 /nfs/dbraw/zinc/23/16/05/1029231605.db2.gz YTAQWGGMBJPUON-MMEUWEMUSA-N 0 3 304.434 3.615 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000374256897 1029261521 /nfs/dbraw/zinc/26/15/21/1029261521.db2.gz BLDFCPXGWFBNRA-OXQOHEQNSA-N 0 3 322.408 3.631 20 30 DHEDHN Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@H](N)CCCC#N ZINC000818108130 1029336600 /nfs/dbraw/zinc/33/66/00/1029336600.db2.gz HSAJXPJSQRLANY-CQSZACIVSA-N 0 3 319.474 3.845 20 30 DHEDHN C[C@H]1CN(CCCCC#N)C2(CCCC2)CN1CCCCC#N ZINC000451348896 1029853856 /nfs/dbraw/zinc/85/38/56/1029853856.db2.gz XZOYKIXVXVYHEQ-SFHVURJKSA-N 0 3 316.493 3.693 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](C)CC1 ZINC000357393771 1030030735 /nfs/dbraw/zinc/03/07/35/1030030735.db2.gz XGJZNXZJDWNJLV-HZPDHXFCSA-N 0 3 320.502 3.773 20 30 DHEDHN CC(C)C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000357423771 1030048138 /nfs/dbraw/zinc/04/81/38/1030048138.db2.gz WMKDKIRVHCWCTP-IBGZPJMESA-N 0 3 321.424 3.874 20 30 DHEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000924698724 1030162087 /nfs/dbraw/zinc/16/20/87/1030162087.db2.gz GFDATTFGOAPHAE-LSDHHAIUSA-N 0 3 315.461 3.633 20 30 DHEDHN C=CCCCCCN(C)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000533290218 1030249010 /nfs/dbraw/zinc/24/90/10/1030249010.db2.gz UMTHBAOIUWUKBW-OAHLLOKOSA-N 0 3 306.425 3.509 20 30 DHEDHN CC1(C)[C@H](N)c2ccccc2N1C(=O)CC1(C#N)CCCCC1 ZINC000867987491 1030512304 /nfs/dbraw/zinc/51/23/04/1030512304.db2.gz MBTIWZSEWYOQLT-QGZVFWFLSA-N 0 3 311.429 3.676 20 30 DHEDHN COc1cc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)ccn1 ZINC000558275724 1030512781 /nfs/dbraw/zinc/51/27/81/1030512781.db2.gz MJUXJVLIAYDKFO-UGSOOPFHSA-N 0 3 307.397 3.690 20 30 DHEDHN O=C1C=C2CN(Cc3cc4c(cccc4Cl)[nH]3)CCC2S1 ZINC001136858691 1030528013 /nfs/dbraw/zinc/52/80/13/1030528013.db2.gz WDAVDFSQOFGBIL-OAHLLOKOSA-N 0 3 318.829 3.595 20 30 DHEDHN C[C@@H]1CCCN(C(C)(C)CNc2ncc(C#N)cc2Cl)C1 ZINC000358868404 1030657663 /nfs/dbraw/zinc/65/76/63/1030657663.db2.gz BNNLLKCSUBTOAQ-GFCCVEGCSA-N 0 3 306.841 3.529 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000926368291 1030714541 /nfs/dbraw/zinc/71/45/41/1030714541.db2.gz VEHSPNJJWRBOJS-FUHWJXTLSA-N 0 3 323.440 3.508 20 30 DHEDHN C#Cc1cccc(CN[C@H](C)c2ccc3c(c2)OCCCO3)c1 ZINC000825227711 1030764680 /nfs/dbraw/zinc/76/46/80/1030764680.db2.gz YUCIRXZGCYTGDD-OAHLLOKOSA-N 0 3 307.393 3.680 20 30 DHEDHN Cc1noc(C)c1[C@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000179225203 1030879464 /nfs/dbraw/zinc/87/94/64/1030879464.db2.gz KHTNZHQAGUHJFF-ZWNOBZJWSA-N 0 3 323.352 3.803 20 30 DHEDHN COc1cccc2c1OCCC[C@@H]2N[C@H](C)CC(C)(C)C#N ZINC000926858989 1030956788 /nfs/dbraw/zinc/95/67/88/1030956788.db2.gz QTNQAJGMRVHBAI-HIFRSBDPSA-N 0 3 302.418 3.827 20 30 DHEDHN CC(=O)Nc1ccc([C@H](C)NCc2ccc(C)c(C#N)c2)cc1 ZINC000926963066 1031018462 /nfs/dbraw/zinc/01/84/62/1031018462.db2.gz CIGZAGFKVAFNRK-AWEZNQCLSA-N 0 3 307.397 3.676 20 30 DHEDHN C[C@H](NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cc(C#N)ccn1 ZINC000926975702 1031024869 /nfs/dbraw/zinc/02/48/69/1031024869.db2.gz FCDARDRDOCRYLY-XGWLTEMNSA-N 0 3 313.351 3.653 20 30 DHEDHN C=CCC[C@@H](NC[C@@H]1CCC2(CCOCC2)O1)c1ccco1 ZINC000927016453 1031035688 /nfs/dbraw/zinc/03/56/88/1031035688.db2.gz TZRRMOLYURWJQK-JKSUJKDBSA-N 0 3 305.418 3.605 20 30 DHEDHN CN(CCSC1CCCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370856 1031072340 /nfs/dbraw/zinc/07/23/40/1031072340.db2.gz KHXPJHKHZWPMGI-GOSISDBHSA-N 0 3 318.486 3.589 20 30 DHEDHN CN(Cc1cccc(C(F)F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370794 1031073658 /nfs/dbraw/zinc/07/36/58/1031073658.db2.gz JLQUOTQSPHPFEF-KRWDZBQOSA-N 0 3 316.351 3.661 20 30 DHEDHN N#Cc1ccccc1-c1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844453204 1031132701 /nfs/dbraw/zinc/13/27/01/1031132701.db2.gz FSNPBNMSNQMITA-HDICACEKSA-N 0 3 310.347 3.922 20 30 DHEDHN Cc1c(O)cccc1CN1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001144118352 1031255068 /nfs/dbraw/zinc/25/50/68/1031255068.db2.gz UODQFDJOVSSXNS-SFHVURJKSA-N 0 3 322.408 3.616 20 30 DHEDHN N#Cc1ccc(NC[C@H]2CSCCN2Cc2ccccc2)cc1 ZINC000428655819 1031299759 /nfs/dbraw/zinc/29/97/59/1031299759.db2.gz FLYVHOQQZGSQNA-IBGZPJMESA-N 0 3 323.465 3.588 20 30 DHEDHN C=C(C)COCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872049950 1031439043 /nfs/dbraw/zinc/43/90/43/1031439043.db2.gz XKAOPLLZRVRGRT-LBPRGKRZSA-N 0 3 310.419 3.560 20 30 DHEDHN C[C@H](NCC1CCC(C#N)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872067699 1031462835 /nfs/dbraw/zinc/46/28/35/1031462835.db2.gz BNIXDZFFSRTQHY-HIFPTAJRSA-N 0 3 305.353 3.714 20 30 DHEDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000872082130 1031478635 /nfs/dbraw/zinc/47/86/35/1031478635.db2.gz PVZUAQRDARJQMU-GRYCIOLGSA-N 0 3 305.403 3.660 20 30 DHEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000537263678 1031554303 /nfs/dbraw/zinc/55/43/03/1031554303.db2.gz KHLVKSPJSFQAIG-QGZVFWFLSA-N 0 3 317.477 3.505 20 30 DHEDHN C=CCCC[C@H](C)N[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000537319122 1031572709 /nfs/dbraw/zinc/57/27/09/1031572709.db2.gz VFYBLDXQANNYSQ-WMZOPIPTSA-N 0 3 302.462 3.931 20 30 DHEDHN N#Cc1cc(CN2CCC[C@@H](OC3CCC3)CC2)ccc1F ZINC000872281812 1031574311 /nfs/dbraw/zinc/57/43/11/1031574311.db2.gz WDEYDNNJHAMNBK-QGZVFWFLSA-N 0 3 302.393 3.621 20 30 DHEDHN C[C@@H]1CN(CC(C)(C)CCC#N)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000124149670 1031627576 /nfs/dbraw/zinc/62/75/76/1031627576.db2.gz RDILOTCJYFUIRY-HUUCEWRRSA-N 0 3 323.481 3.646 20 30 DHEDHN COc1ccc2ccc(O)c(CN(C)[C@H]3CCC[C@@H]3C#N)c2c1 ZINC000872681056 1031643397 /nfs/dbraw/zinc/64/33/97/1031643397.db2.gz DOOCVCUJOUGNBD-KDOFPFPSSA-N 0 3 310.397 3.678 20 30 DHEDHN CCCOc1ccc(CNCc2ccc(OCC#N)cc2)cc1C ZINC000873045564 1031699077 /nfs/dbraw/zinc/69/90/77/1031699077.db2.gz JNHFEBFYXDJEGU-UHFFFAOYSA-N 0 3 324.424 3.976 20 30 DHEDHN C#Cc1ccc(CN(CCC(=O)OCC)Cc2ccccc2)cc1 ZINC001144569146 1031721498 /nfs/dbraw/zinc/72/14/98/1031721498.db2.gz LMSQEINTZKMKOJ-UHFFFAOYSA-N 0 3 321.420 3.623 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)NCc2c(C)cc(C#N)cc2C)c1 ZINC000930192065 1031727649 /nfs/dbraw/zinc/72/76/49/1031727649.db2.gz VBNHLPKGBKVHDI-HNNXBMFYSA-N 0 3 321.424 3.984 20 30 DHEDHN N#Cc1cc(Cl)cc(CN[C@H](CCCO)c2ccccc2)c1 ZINC000930226849 1031744785 /nfs/dbraw/zinc/74/47/85/1031744785.db2.gz NFZGETUNDLOXCR-GOSISDBHSA-N 0 3 314.816 3.815 20 30 DHEDHN C#CCCCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845880681 1031752162 /nfs/dbraw/zinc/75/21/62/1031752162.db2.gz XSZNPAZDXLLMOR-SUMWQHHRSA-N 0 3 321.348 3.659 20 30 DHEDHN C[C@@H](NCc1nc(C#N)cs1)[C@H](C)c1ccc(Cl)cc1 ZINC000897628749 1031756649 /nfs/dbraw/zinc/75/66/49/1031756649.db2.gz BEXSHVSKHKQQNI-WDEREUQCSA-N 0 3 305.834 3.950 20 30 DHEDHN CC(C)c1ncc(CN(C)CCCCC2(C#N)CCC2)cn1 ZINC000930321267 1031782182 /nfs/dbraw/zinc/78/21/82/1031782182.db2.gz ISYIOTVPHDENPF-UHFFFAOYSA-N 0 3 300.450 3.896 20 30 DHEDHN CC[C@H](C)n1ncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000361195356 1031783156 /nfs/dbraw/zinc/78/31/56/1031783156.db2.gz ZTKGMXCZFAXSKL-WCQYABFASA-N 0 3 321.384 3.529 20 30 DHEDHN C=CCc1cc(CN2CCC[C@@]3(CC3(F)F)C2)cc(OC)c1O ZINC000846109702 1031858460 /nfs/dbraw/zinc/85/84/60/1031858460.db2.gz UXGCUQBWSXRRRM-QGZVFWFLSA-N 0 3 323.383 3.751 20 30 DHEDHN C#CC1CCN(Cc2cncc(-c3cc(F)ccc3OC)c2)CC1 ZINC000930822576 1031961224 /nfs/dbraw/zinc/96/12/24/1031961224.db2.gz ZEZVSWABYGOHFS-UHFFFAOYSA-N 0 3 324.399 3.742 20 30 DHEDHN CCOc1ccc(CN(Cc2cc(C#N)n(C)c2)C(C)C)cc1 ZINC000361509737 1031964175 /nfs/dbraw/zinc/96/41/75/1031964175.db2.gz DTBHWRUWHVHKNW-UHFFFAOYSA-N 0 3 311.429 3.706 20 30 DHEDHN C#C[C@H]1CCCN(Cc2cncc(-c3cc(F)ccc3OC)c2)C1 ZINC000930885108 1031972891 /nfs/dbraw/zinc/97/28/91/1031972891.db2.gz JTXZXTACHYFMPR-HNNXBMFYSA-N 0 3 324.399 3.742 20 30 DHEDHN N#CC(C(=O)c1ccc(C2CC2)cn1)c1nccc2ccccc21 ZINC000361538383 1031976161 /nfs/dbraw/zinc/97/61/61/1031976161.db2.gz BWVNUEQTSDJBIU-QGZVFWFLSA-N 0 3 313.360 3.997 20 30 DHEDHN N#Cc1cc(Cl)cc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000931026551 1032012433 /nfs/dbraw/zinc/01/24/33/1032012433.db2.gz XLKBQNDJZCPARU-SJLPKXTDSA-N 0 3 318.848 3.993 20 30 DHEDHN N#CC(C(=O)c1coc2cc(F)ccc21)c1nc2ccccc2[nH]1 ZINC000361655185 1032039306 /nfs/dbraw/zinc/03/93/06/1032039306.db2.gz OLAHMEISTMFDFS-GFCCVEGCSA-N 0 3 319.295 3.938 20 30 DHEDHN N#CC(C(=O)c1cc2[nH]ccc2s1)c1nc2ccccc2[nH]1 ZINC000361657356 1032042178 /nfs/dbraw/zinc/04/21/78/1032042178.db2.gz VTVRHDYRYWSWDH-VIFPVBQESA-N 0 3 306.350 3.596 20 30 DHEDHN CC(C)c1ncc2c(n1)CCN(CCCCC1(C#N)CCC1)C2 ZINC000931164186 1032055590 /nfs/dbraw/zinc/05/55/90/1032055590.db2.gz NFYFKBVNJIQJKX-UHFFFAOYSA-N 0 3 312.461 3.822 20 30 DHEDHN C=CCCC[C@@H](C)N(CC)CC(=O)Nc1c(F)cccc1F ZINC000539196698 1033295456 /nfs/dbraw/zinc/29/54/56/1033295456.db2.gz GUPPNURCXVFBSV-CYBMUJFWSA-N 0 3 310.388 3.970 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000539294800 1033318156 /nfs/dbraw/zinc/31/81/56/1033318156.db2.gz IDMQYERCGQNVEQ-UWVGGRQHSA-N 0 3 306.208 3.968 20 30 DHEDHN CSc1ccc(CCNCc2cc(C#N)cnc2Cl)cc1 ZINC000877495930 1033322239 /nfs/dbraw/zinc/32/22/39/1033322239.db2.gz KAYIURHFZQBRNI-UHFFFAOYSA-N 0 3 317.845 3.661 20 30 DHEDHN COc1ccccc1[C@@H]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000877769229 1033442967 /nfs/dbraw/zinc/44/29/67/1033442967.db2.gz BOIGQIONBGYIHM-OAHLLOKOSA-N 0 3 310.397 3.930 20 30 DHEDHN C=CC[C@H](C)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000860898993 1033530266 /nfs/dbraw/zinc/53/02/66/1033530266.db2.gz RAZBMWXHYRYKLE-INIZCTEOSA-N 0 3 301.430 3.797 20 30 DHEDHN C#CCCCCCN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000878119318 1033587451 /nfs/dbraw/zinc/58/74/51/1033587451.db2.gz NYZRFUGPZGWTIQ-LJQANCHMSA-N 0 3 313.420 3.774 20 30 DHEDHN N#CCC1(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000878178365 1033614562 /nfs/dbraw/zinc/61/45/62/1033614562.db2.gz LJSUDBWCAQGRAW-QGZVFWFLSA-N 0 3 310.397 3.509 20 30 DHEDHN COC(=O)c1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1C ZINC000878356241 1033670935 /nfs/dbraw/zinc/67/09/35/1033670935.db2.gz SHSTYWZQVJPXBP-AWEZNQCLSA-N 0 3 308.381 3.504 20 30 DHEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000878384257 1033684134 /nfs/dbraw/zinc/68/41/34/1033684134.db2.gz AVSLCISGLGMDGI-DOTOQJQBSA-N 0 3 300.446 3.540 20 30 DHEDHN COc1cc(C[NH2+]C2CCC(C)(C#N)CC2)cc(Cl)c1[O-] ZINC001173590484 1033778480 /nfs/dbraw/zinc/77/84/80/1033778480.db2.gz KNRUMJYDUCIDJN-UHFFFAOYSA-N 0 3 308.809 3.616 20 30 DHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2O)o1 ZINC000878885602 1033855795 /nfs/dbraw/zinc/85/57/95/1033855795.db2.gz LFDBRHLPYUPDHN-UKRRQHHQSA-N 0 3 313.401 3.667 20 30 DHEDHN COc1ccc([C@H](NCc2ccc(OC)c(C#N)c2)C2CC2)cc1 ZINC000174252213 1033917047 /nfs/dbraw/zinc/91/70/47/1033917047.db2.gz BSVBLJAOCAYORO-HXUWFJFHSA-N 0 3 322.408 3.816 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cnn3ccccc23)c([O-])c1 ZINC000794676086 1034335129 /nfs/dbraw/zinc/33/51/29/1034335129.db2.gz JHHHFEFSGPVVLU-NDENLUEZSA-N 0 3 322.412 3.505 20 30 DHEDHN Cc1csc(CN2CCC(Oc3ccccc3C#N)CC2)c1 ZINC001137158416 1034402355 /nfs/dbraw/zinc/40/23/55/1034402355.db2.gz RJBYJQCNUZDMGD-UHFFFAOYSA-N 0 3 312.438 3.972 20 30 DHEDHN C=CCN(CC(=O)NCCc1c(C)cc(C)cc1C)C(C)(C)C ZINC001174641245 1034523793 /nfs/dbraw/zinc/52/37/93/1034523793.db2.gz GXFLFRWOXDPFFE-UHFFFAOYSA-N 0 3 316.489 3.557 20 30 DHEDHN N#C[C@H](c1ccccc1)N1CCN(CCC2CCCCC2)CC1 ZINC001204146509 1034582206 /nfs/dbraw/zinc/58/22/06/1034582206.db2.gz VSOPRTIHSYDTRZ-HXUWFJFHSA-N 0 3 311.473 3.839 20 30 DHEDHN CCc1cnccc1[C@@H](C)NCc1ccc(N(C)CCC#N)cc1 ZINC000773426768 1034684977 /nfs/dbraw/zinc/68/49/77/1034684977.db2.gz HAJIVQSUABVTKE-MRXNPFEDSA-N 0 3 322.456 3.845 20 30 DHEDHN C#CCCOc1ccc(CN[C@H](C)c2ccncc2CC)cc1 ZINC000773428544 1034712722 /nfs/dbraw/zinc/71/27/22/1034712722.db2.gz QCWPBSPHMDBZTO-MRXNPFEDSA-N 0 3 308.425 3.897 20 30 DHEDHN CCC#C[C@H](C)N1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001175267743 1034914607 /nfs/dbraw/zinc/91/46/07/1034914607.db2.gz KDZGFYCYAYRVSV-HOTGVXAUSA-N 0 3 308.466 3.558 20 30 DHEDHN Cc1ccccc1[C@H](C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC001175443187 1034988134 /nfs/dbraw/zinc/98/81/34/1034988134.db2.gz CTUFJDOEQQSMPO-KRWDZBQOSA-N 0 3 305.425 3.750 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC)cc1 ZINC000128634036 1035079061 /nfs/dbraw/zinc/07/90/61/1035079061.db2.gz SRUYNCXYQJRBTB-CJNGLKHVSA-N 0 3 300.402 3.723 20 30 DHEDHN CN(Cc1ncc(-c2ccc(C#N)cc2)o1)C(C1CC1)C1CC1 ZINC000159868465 1035106530 /nfs/dbraw/zinc/10/65/30/1035106530.db2.gz NPBNJBLLKOTTJN-UHFFFAOYSA-N 0 3 307.397 3.834 20 30 DHEDHN CCN1CCN(c2ccc(Nc3ccc(F)c(C#N)c3)cc2)CC1 ZINC001175780302 1035119171 /nfs/dbraw/zinc/11/91/71/1035119171.db2.gz CCMAZVNLVLPDSC-UHFFFAOYSA-N 0 3 324.403 3.583 20 30 DHEDHN CCN1CCN(c2ccc(Nc3cccc(C)c3C#N)cc2)CC1 ZINC001175780394 1035119621 /nfs/dbraw/zinc/11/96/21/1035119621.db2.gz FUPUIPHMWXJBPO-UHFFFAOYSA-N 0 3 320.440 3.752 20 30 DHEDHN Cc1ccccc1NC(=O)C(C#N)c1nc2ccccc2s1 ZINC000160085383 1035133566 /nfs/dbraw/zinc/13/35/66/1035133566.db2.gz MMZHTRDRJMPXLK-GFCCVEGCSA-N 0 3 307.378 3.851 20 30 DHEDHN COCCCCN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000483528234 1035275693 /nfs/dbraw/zinc/27/56/93/1035275693.db2.gz MUMRLSNNXBJBIM-UHFFFAOYSA-N 0 3 307.437 3.967 20 30 DHEDHN C(#Cc1ccccc1)CN1CC[C@H](COCc2ccccc2)C1 ZINC000483935410 1035309556 /nfs/dbraw/zinc/30/95/56/1035309556.db2.gz UIDZANMCNKSEGM-NRFANRHFSA-N 0 3 305.421 3.577 20 30 DHEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(C2CCCC2)no1 ZINC001177903714 1035398017 /nfs/dbraw/zinc/39/80/17/1035398017.db2.gz KIYSPEBRXYPHPW-GFCCVEGCSA-N 0 3 315.398 3.715 20 30 DHEDHN C#CCOc1ccccc1CNCc1cccc2ncccc12 ZINC001177880527 1035399499 /nfs/dbraw/zinc/39/94/99/1035399499.db2.gz PHAVGVAPRDMRSX-UHFFFAOYSA-N 0 3 302.377 3.537 20 30 DHEDHN C[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1cccc(C#N)c1 ZINC000192941879 1035404454 /nfs/dbraw/zinc/40/44/54/1035404454.db2.gz QDTACQDCBFTDHL-OAHLLOKOSA-N 0 3 319.408 3.536 20 30 DHEDHN N#Cc1ccc(CNCCOc2ccc(F)c(Cl)c2)c(F)c1 ZINC001178758714 1035446147 /nfs/dbraw/zinc/44/61/47/1035446147.db2.gz GBUNWXPNRKVZIB-UHFFFAOYSA-N 0 3 322.742 3.658 20 30 DHEDHN CC(C)CCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905082460 1035478341 /nfs/dbraw/zinc/47/83/41/1035478341.db2.gz WPMZMJMJJGIIIB-YDRQLGOLSA-N 0 3 311.385 3.544 20 30 DHEDHN C#C[C@H](N[C@H](C)c1ccc2cc(OC)ccc2c1)[C@H]1CCCO1 ZINC000775575341 1035560908 /nfs/dbraw/zinc/56/09/08/1035560908.db2.gz VXMXPWCKAMSCDA-VOBQZIQPSA-N 0 3 309.409 3.680 20 30 DHEDHN C=CC[C@H]1CCCN(Cc2ccc(OC)c(OC)c2OC)C1 ZINC000668492749 1035669946 /nfs/dbraw/zinc/66/99/46/1035669946.db2.gz FOLWQABAOVXLHZ-AWEZNQCLSA-N 0 3 305.418 3.501 20 30 DHEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000191564331 1035698591 /nfs/dbraw/zinc/69/85/91/1035698591.db2.gz XJEGUAMPAZJSAQ-MJBXVCDLSA-N 0 3 315.417 3.997 20 30 DHEDHN CCCC[C@H](CC)COC(=O)N1CCC2SC(=O)C=C2C1 ZINC001193952635 1035770740 /nfs/dbraw/zinc/77/07/40/1035770740.db2.gz FJJHKDNJKKCWPK-JSGCOSHPSA-N 0 3 311.447 3.614 20 30 DHEDHN CCCCCCCOC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC001194012234 1035797463 /nfs/dbraw/zinc/79/74/63/1035797463.db2.gz HBXYBSWJFVURGE-KRWDZBQOSA-N 0 3 306.450 3.986 20 30 DHEDHN CC(C)C[C@@]1(CO)CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC001194020634 1035804032 /nfs/dbraw/zinc/80/40/32/1035804032.db2.gz MDADTHXJJKNOAM-QGZVFWFLSA-N 0 3 306.837 3.585 20 30 DHEDHN C=CCCC[C@@H](C)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000540297930 1036031376 /nfs/dbraw/zinc/03/13/76/1036031376.db2.gz SVBCVYKANLPKOQ-RHSMWYFYSA-N 0 3 304.409 3.608 20 30 DHEDHN Cc1ccc(NC(=O)c2cc(C)c(C#N)c(C)c2)c(CN(C)C)c1 ZINC000906694481 1036055926 /nfs/dbraw/zinc/05/59/26/1036055926.db2.gz BAKKLKITRSVSOM-UHFFFAOYSA-N 0 3 321.424 3.797 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C)cc1 ZINC000773979769 1036109841 /nfs/dbraw/zinc/10/98/41/1036109841.db2.gz KXGLYXLORJIQEA-CJNGLKHVSA-N 0 3 314.429 3.969 20 30 DHEDHN CC[C@@H](N[C@H]1CCCc2nc(C)ncc21)c1ccc(C#N)cc1 ZINC000774199822 1036219525 /nfs/dbraw/zinc/21/95/25/1036219525.db2.gz BFWTVCHCUFXXMY-MJGOQNOKSA-N 0 3 306.413 3.775 20 30 DHEDHN CCCN(CCC)c1ccc(C=NOC2CCOCC2)cc1 ZINC000774443833 1036334463 /nfs/dbraw/zinc/33/44/63/1036334463.db2.gz FYPBSQWXAVKBLD-UHFFFAOYSA-N 0 3 304.434 3.843 20 30 DHEDHN Cc1cc(CN(C)C[C@@H]2OCCc3ccccc32)ccc1C#N ZINC000487864258 1036359999 /nfs/dbraw/zinc/35/99/99/1036359999.db2.gz BCPKSBKLJKMODK-FQEVSTJZSA-N 0 3 306.409 3.613 20 30 DHEDHN COc1cccc([C@]2(C)CCN(Cc3ccc(C#N)s3)C2)c1 ZINC000595762895 1036408250 /nfs/dbraw/zinc/40/82/50/1036408250.db2.gz BHKCWPSUMKANJY-GOSISDBHSA-N 0 3 312.438 3.792 20 30 DHEDHN C=CCN(C[C@@H]1CCC[C@H](c2ccccc2)O1)[C@@H](C)COC ZINC001196048501 1036430201 /nfs/dbraw/zinc/43/02/01/1036430201.db2.gz WOTIQNKILWTQJC-YTQUADARSA-N 0 3 303.446 3.820 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](CCc1ccccc1)C(=O)OCC ZINC001196328458 1036506375 /nfs/dbraw/zinc/50/63/75/1036506375.db2.gz AGFLKOKAGFWOCG-OTWHNJEPSA-N 0 3 313.441 3.734 20 30 DHEDHN C=CCSc1ccccc1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000487143223 1036544107 /nfs/dbraw/zinc/54/41/07/1036544107.db2.gz VZYOJTBDXWGAQH-HNNXBMFYSA-N 0 3 318.486 3.567 20 30 DHEDHN C#C[C@H](N[C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000491508193 1036592592 /nfs/dbraw/zinc/59/25/92/1036592592.db2.gz YVIZPQRLINOSOE-HZSPNIEDSA-N 0 3 317.738 3.714 20 30 DHEDHN C#Cc1ccc(CN[C@H](c2ccccc2)C(C)(C)C(=O)OC)cc1 ZINC001183729218 1036661496 /nfs/dbraw/zinc/66/14/96/1036661496.db2.gz XWSNEJMSQAEIJZ-LJQANCHMSA-N 0 3 321.420 3.698 20 30 DHEDHN Cc1ccc(CN(C)C)cc1NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000492050076 1036723636 /nfs/dbraw/zinc/72/36/36/1036723636.db2.gz OZDGGXWLBLNRNS-ZHACJKMWSA-N 0 3 319.408 3.580 20 30 DHEDHN N#CC1(CNCC(c2ccccc2)c2ccccc2)CCOCC1 ZINC001184278155 1036798596 /nfs/dbraw/zinc/79/85/96/1036798596.db2.gz OXMRAHYKYSZSSZ-UHFFFAOYSA-N 0 3 320.436 3.728 20 30 DHEDHN CO[C@H](c1ccccc1F)[C@H](C)NCc1ccc(C#N)s1 ZINC000272072793 1036963010 /nfs/dbraw/zinc/96/30/10/1036963010.db2.gz PRAPMRDHEGMESN-ZBEGNZNMSA-N 0 3 304.390 3.625 20 30 DHEDHN N#Cc1cc(Cl)cc(CN2CCCSC[C@H]2C2CC2)c1 ZINC001198279163 1036988996 /nfs/dbraw/zinc/98/89/96/1036988996.db2.gz PHBDDMKBSDIEFA-INIZCTEOSA-N 0 3 306.862 3.929 20 30 DHEDHN C=CCC[C@H]1CCCN1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC001198414416 1037014268 /nfs/dbraw/zinc/01/42/68/1037014268.db2.gz RBDNSQBCQQIYRV-ICSRJNTNSA-N 0 3 312.457 3.685 20 30 DHEDHN N#Cc1ccc(CN2CCC(Sc3ccncc3)CC2)cc1 ZINC001203905437 1037019254 /nfs/dbraw/zinc/01/92/54/1037019254.db2.gz MWAJWFMZMSHGCE-UHFFFAOYSA-N 0 3 309.438 3.710 20 30 DHEDHN Cc1cc(CN2CCC([C@@H](O)c3ccccc3)CC2)ccc1C#N ZINC000774827606 1037020375 /nfs/dbraw/zinc/02/03/75/1037020375.db2.gz QIMHZHWYDIMHIY-NRFANRHFSA-N 0 3 320.436 3.812 20 30 DHEDHN C=CCc1cc(CN(C)Cc2ccc(F)cc2)c(O)c(OC)c1 ZINC000915826214 1037242724 /nfs/dbraw/zinc/24/27/24/1037242724.db2.gz WWWQKYYERIYEPG-UHFFFAOYSA-N 0 3 315.388 3.900 20 30 DHEDHN C=CCOc1ccc(CN(Cc2cnn(C)c2)C(C)(C)C)cc1 ZINC000177847755 1037275487 /nfs/dbraw/zinc/27/54/87/1037275487.db2.gz GRWAZUNOJVIBRB-UHFFFAOYSA-N 0 3 313.445 3.786 20 30 DHEDHN C#CCOc1ccc(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776016216 1037311259 /nfs/dbraw/zinc/31/12/59/1037311259.db2.gz ZNWZNQVZCAZUPQ-CZUORRHYSA-N 0 3 311.347 3.861 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCCc1ccccc1C ZINC001200978035 1037480930 /nfs/dbraw/zinc/48/09/30/1037480930.db2.gz CHVYIRUPQOAHCF-UHFFFAOYSA-N 0 3 313.828 3.993 20 30 DHEDHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1CCCC#N ZINC000493975635 1037604327 /nfs/dbraw/zinc/60/43/27/1037604327.db2.gz UPKXTRMYBBWXDS-JKSUJKDBSA-N 0 3 321.465 3.544 20 30 DHEDHN C[C@@H](NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000776165285 1037658726 /nfs/dbraw/zinc/65/87/26/1037658726.db2.gz PEZPFMSPRJMFAK-BDJLRTHQSA-N 0 3 318.779 3.735 20 30 DHEDHN C[C@H](N[C@@H](c1cccnc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000776169115 1037671210 /nfs/dbraw/zinc/67/12/10/1037671210.db2.gz DSTZEQZFQCMHCY-IFXJQAMLSA-N 0 3 307.397 3.786 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1OCCc2ccccc21 ZINC000490363123 1037689096 /nfs/dbraw/zinc/68/90/96/1037689096.db2.gz GBBXUGAFKTUONA-QRWLVFNGSA-N 0 3 306.409 3.865 20 30 DHEDHN CCCCCCCCCCCN1Cc2ccnn2CC[C@@H]1CO ZINC001201631739 1037799662 /nfs/dbraw/zinc/79/96/62/1037799662.db2.gz ZRGNWTUETDKTOA-LJQANCHMSA-N 0 3 321.509 3.981 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2c(C)oc3ccccc32)CC1 ZINC000185488254 1037809227 /nfs/dbraw/zinc/80/92/27/1037809227.db2.gz NQNGJNHECUAWDM-UHFFFAOYSA-N 0 3 312.413 3.512 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000185649539 1037824993 /nfs/dbraw/zinc/82/49/93/1037824993.db2.gz FOWVKFIJUUMWFN-ZWKOTPCHSA-N 0 3 314.473 3.712 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(OC3CCCCC3)c2)C1 ZINC000185805877 1037844931 /nfs/dbraw/zinc/84/49/31/1037844931.db2.gz FNXSMSNSTZKMTB-DOTOQJQBSA-N 0 3 313.445 3.965 20 30 DHEDHN CCCCCCCCCN1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001201839620 1037918423 /nfs/dbraw/zinc/91/84/23/1037918423.db2.gz OLBMAKTZSIVABZ-QGZVFWFLSA-N 0 3 307.482 3.716 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CC)(CC)CC2)CC1 ZINC000186870159 1037932766 /nfs/dbraw/zinc/93/27/66/1037932766.db2.gz WMLOWPONXPKMGE-UHFFFAOYSA-N 0 3 321.509 3.639 20 30 DHEDHN CCCCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000916903523 1038028278 /nfs/dbraw/zinc/02/82/78/1038028278.db2.gz OZAGWVNXGKHZDM-HNNXBMFYSA-N 0 3 300.402 3.649 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccc(C)o1 ZINC000916904292 1038042971 /nfs/dbraw/zinc/04/29/71/1038042971.db2.gz ZSBWGJBRVDDTID-OAHLLOKOSA-N 0 3 324.380 3.674 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000106478514 1038102924 /nfs/dbraw/zinc/10/29/24/1038102924.db2.gz VHYJJFBYNPCQGL-DJJJIMSYSA-N 0 3 310.372 3.894 20 30 DHEDHN CCC[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917104730 1038208528 /nfs/dbraw/zinc/20/85/28/1038208528.db2.gz TZCKORZQPDYNJC-OLZOCXBDSA-N 0 3 315.442 3.593 20 30 DHEDHN C#CCOc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000775409046 1038375838 /nfs/dbraw/zinc/37/58/38/1038375838.db2.gz MFOMIIHFGOSOLL-FQEVSTJZSA-N 0 3 316.404 3.737 20 30 DHEDHN COc1ccc2c(c1F)CC[C@@H]2N[C@H]1CCc2cc(C#N)ccc21 ZINC000588958712 1038411426 /nfs/dbraw/zinc/41/14/26/1038411426.db2.gz JKAMWWUUTAVPLR-ROUUACIJSA-N 0 3 322.383 3.970 20 30 DHEDHN Cc1cc(C#N)ccc1CN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000590123882 1038586695 /nfs/dbraw/zinc/58/66/95/1038586695.db2.gz OCBTWWVYRNAFSY-HXUWFJFHSA-N 0 3 320.436 3.860 20 30 DHEDHN C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1cc(Cl)ccc1F ZINC001192575303 1038679524 /nfs/dbraw/zinc/67/95/24/1038679524.db2.gz RGDHUYYTLPZFOM-DIFFPNOSSA-N 0 3 318.779 3.735 20 30 DHEDHN CO[C@H](CN[C@H](CCC#N)c1ccccc1)Cc1ccccc1 ZINC000590713007 1038694596 /nfs/dbraw/zinc/69/45/96/1038694596.db2.gz VFENHXVAGKJITO-VQTJNVASSA-N 0 3 308.425 3.879 20 30 DHEDHN CO[C@H](CN[C@@H](CCC#N)c1ccccc1)Cc1ccccc1 ZINC000590713005 1038694671 /nfs/dbraw/zinc/69/46/71/1038694671.db2.gz VFENHXVAGKJITO-PMACEKPBSA-N 0 3 308.425 3.879 20 30 DHEDHN CC(C)(C)OC(=O)c1ccc(CNCC(C)(C)CC#N)s1 ZINC000598982001 1038977023 /nfs/dbraw/zinc/97/70/23/1038977023.db2.gz UVWXCZQVLFPTLG-UHFFFAOYSA-N 0 3 308.447 3.733 20 30 DHEDHN COc1ccc(COCCN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000591853698 1039034340 /nfs/dbraw/zinc/03/43/40/1039034340.db2.gz YTLKPLPHXOGNCQ-MRXNPFEDSA-N 0 3 324.424 3.776 20 30 DHEDHN Cc1c([C@@H](C)NCc2ccc(CC#N)cc2)cccc1[N+](=O)[O-] ZINC000592391594 1039188010 /nfs/dbraw/zinc/18/80/10/1039188010.db2.gz FBVTUIOQIYJFHI-CQSZACIVSA-N 0 3 309.369 3.820 20 30 DHEDHN N#Cc1ccccc1N1CCCN(C/C=C/c2ccccc2)CC1 ZINC000058580566 1039294910 /nfs/dbraw/zinc/29/49/10/1039294910.db2.gz VGRZFGICBRWRLT-UXBLZVDNSA-N 0 3 317.436 3.784 20 30 DHEDHN COc1ccc(C2CCN(Cc3ccc(C#N)c(C)c3)CC2)nc1 ZINC000593041449 1039368966 /nfs/dbraw/zinc/36/89/66/1039368966.db2.gz PHOYMSYYZYIMEI-UHFFFAOYSA-N 0 3 321.424 3.650 20 30 DHEDHN CC(C)O[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000593659358 1039583463 /nfs/dbraw/zinc/58/34/63/1039583463.db2.gz LBVFKXVXBGNVTL-LJQANCHMSA-N 0 3 316.445 3.759 20 30 DHEDHN CCC(CC)[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cccs1 ZINC000594431743 1039783707 /nfs/dbraw/zinc/78/37/07/1039783707.db2.gz QRMYZNAKYNLSQF-GOEBONIOSA-N 0 3 321.490 3.753 20 30 DHEDHN Cc1cccc([C@@H](NC(=O)[C@H](N)CCCCC#N)C(C)(C)C)c1 ZINC000594433328 1039783773 /nfs/dbraw/zinc/78/37/73/1039783773.db2.gz NQOBPOAILPPVPK-IAGOWNOFSA-N 0 3 315.461 3.610 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000594444770 1039784535 /nfs/dbraw/zinc/78/45/35/1039784535.db2.gz CLKIANIEBUFODW-QZTJIDSGSA-N 0 3 319.493 3.749 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000594444773 1039785474 /nfs/dbraw/zinc/78/54/74/1039785474.db2.gz CLKIANIEBUFODW-ZWKOTPCHSA-N 0 3 319.493 3.749 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1Nc1ccccc1 ZINC000594435710 1039785673 /nfs/dbraw/zinc/78/56/73/1039785673.db2.gz IPPDRNPZNDKAAX-MRXNPFEDSA-N 0 3 322.412 3.780 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1-c1cccs1 ZINC000594426907 1039791351 /nfs/dbraw/zinc/79/13/51/1039791351.db2.gz RSJVEOHBRWKVJA-CQSZACIVSA-N 0 3 313.426 3.765 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000594427113 1039793876 /nfs/dbraw/zinc/79/38/76/1039793876.db2.gz SUIWVINCKUHIAG-INIZCTEOSA-N 0 3 323.396 3.829 20 30 DHEDHN CN(Cc1ccc(C#N)cn1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000593952245 1039795819 /nfs/dbraw/zinc/79/58/19/1039795819.db2.gz UIEBJOMFAHNNQM-ICSRJNTNSA-N 0 3 321.424 3.553 20 30 DHEDHN CC(C)(C#N)c1ccc(CNCc2ccc(C#N)c(F)c2)cc1 ZINC000594508286 1039813959 /nfs/dbraw/zinc/81/39/59/1039813959.db2.gz SYZDTVCYEFZBDJ-UHFFFAOYSA-N 0 3 307.372 3.788 20 30 DHEDHN Cn1cnc2cc(CNC3(c4ccc(C#N)cc4)CCC3)ccc21 ZINC000594517958 1039822842 /nfs/dbraw/zinc/82/28/42/1039822842.db2.gz FEMBZWLPHODPPN-UHFFFAOYSA-N 0 3 316.408 3.614 20 30 DHEDHN Cc1ccc2ncc(CNC3(c4ccc(C#N)cc4)CCC3)n2c1 ZINC000594519347 1039828762 /nfs/dbraw/zinc/82/87/62/1039828762.db2.gz JWKGUVICHMFSGT-UHFFFAOYSA-N 0 3 316.408 3.683 20 30 DHEDHN Cc1nn(-c2ccc(C)cc2)cc1CN1CCC(CC#N)CC1 ZINC000594605970 1039871207 /nfs/dbraw/zinc/87/12/07/1039871207.db2.gz OXTTYKSAHUNUJK-UHFFFAOYSA-N 0 3 308.429 3.615 20 30 DHEDHN CCOc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594917974 1039926109 /nfs/dbraw/zinc/92/61/09/1039926109.db2.gz NRRUCNBZGPIGRF-UHFFFAOYSA-N 0 3 306.409 3.930 20 30 DHEDHN CCOc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594926566 1039930318 /nfs/dbraw/zinc/93/03/18/1039930318.db2.gz TYLWSTLHZIOEBU-UHFFFAOYSA-N 0 3 306.409 3.930 20 30 DHEDHN N#Cc1ccc(CN2CCC3(CCc4ccccc4C3)CC2)nc1 ZINC000594016573 1039944440 /nfs/dbraw/zinc/94/44/40/1039944440.db2.gz ZPLKDZZZCRJKGP-UHFFFAOYSA-N 0 3 317.436 3.724 20 30 DHEDHN CC(C)(NCc1ccc(N2CCCC2)nc1)c1cccc(C#N)c1 ZINC000594970576 1039949375 /nfs/dbraw/zinc/94/93/75/1039949375.db2.gz YRXYVTOKONKRPF-UHFFFAOYSA-N 0 3 320.440 3.578 20 30 DHEDHN COC(=O)c1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594032364 1039957857 /nfs/dbraw/zinc/95/78/57/1039957857.db2.gz FEWUTVQPDTWSQJ-UHFFFAOYSA-N 0 3 320.392 3.514 20 30 DHEDHN Cc1cc(C#N)ccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033407 1039964124 /nfs/dbraw/zinc/96/41/24/1039964124.db2.gz PDGIUQXBVYRDPK-UHFFFAOYSA-N 0 3 301.393 3.907 20 30 DHEDHN C=CCCSCCNCc1sccc1Br ZINC000594960209 1039965751 /nfs/dbraw/zinc/96/57/51/1039965751.db2.gz NGUMGHBCXWWKGJ-UHFFFAOYSA-N 0 3 306.294 3.910 20 30 DHEDHN Cc1cccc2ncc(CNC(C)(C)c3cccc(C#N)c3)n21 ZINC000594967570 1039970727 /nfs/dbraw/zinc/97/07/27/1039970727.db2.gz FFMHRUSEORFWMO-UHFFFAOYSA-N 0 3 304.397 3.539 20 30 DHEDHN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1OC ZINC000594964943 1039970825 /nfs/dbraw/zinc/97/08/25/1039970825.db2.gz GTQLILDOMJQECV-UHFFFAOYSA-N 0 3 310.397 3.600 20 30 DHEDHN C=CCCSCCN[C@@H](C)c1ccc(Br)cn1 ZINC000595061247 1040026886 /nfs/dbraw/zinc/02/68/86/1040026886.db2.gz ZGSXGKZIZYLJNP-NSHDSACASA-N 0 3 315.280 3.804 20 30 DHEDHN Cn1ncc(C2CC2)c1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000595075362 1040071058 /nfs/dbraw/zinc/07/10/58/1040071058.db2.gz ADQAMAARSSHOHA-LJQANCHMSA-N 0 3 320.440 3.726 20 30 DHEDHN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CCCSCC#N ZINC000595514162 1040157959 /nfs/dbraw/zinc/15/79/59/1040157959.db2.gz BARLZMATTGOVSZ-NSHDSACASA-N 0 3 322.865 3.856 20 30 DHEDHN CC(C)(C)OC(=O)c1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595621884 1040196021 /nfs/dbraw/zinc/19/60/21/1040196021.db2.gz ZDKOJYNHNAVJIR-HNNXBMFYSA-N 0 3 314.429 3.768 20 30 DHEDHN N#CC1(CCCN2CC[C@@H]2c2ccc(F)cc2)CCOCC1 ZINC000595700600 1040224122 /nfs/dbraw/zinc/22/41/22/1040224122.db2.gz CFHPPAQSWIXLMZ-QGZVFWFLSA-N 0 3 302.393 3.673 20 30 DHEDHN CC[C@@H]1CCC[C@H](C)N1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595868398 1040278355 /nfs/dbraw/zinc/27/83/55/1040278355.db2.gz VXLJCZHBLGECOG-XJKSGUPXSA-N 0 3 310.401 3.761 20 30 DHEDHN CC(C)CN(Cc1cnn(C)c1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597145942 1040664391 /nfs/dbraw/zinc/66/43/91/1040664391.db2.gz LKFSKISGFBNPMY-UHFFFAOYSA-N 0 3 322.456 3.633 20 30 DHEDHN N#CCC[C@H](C#N)CNC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC000601938153 1040836735 /nfs/dbraw/zinc/83/67/35/1040836735.db2.gz XLRSSQQJDSPGNB-UXHICEINSA-N 0 3 307.441 3.989 20 30 DHEDHN N#Cc1cccc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000602444340 1041036079 /nfs/dbraw/zinc/03/60/79/1041036079.db2.gz GZOOPFQARWEOIN-MRXNPFEDSA-N 0 3 316.408 3.814 20 30 DHEDHN C[C@@H](CCC#N)CN1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000602461245 1041042972 /nfs/dbraw/zinc/04/29/72/1041042972.db2.gz DXGSVHUHYBANHG-GJZGRUSLSA-N 0 3 321.415 3.583 20 30 DHEDHN Cc1c(CN2CCSCC2)cccc1NC[C@@H](C)CCC#N ZINC000602490441 1041057752 /nfs/dbraw/zinc/05/77/52/1041057752.db2.gz JYBRHNLUNBRCMA-HNNXBMFYSA-N 0 3 317.502 3.896 20 30 DHEDHN Cc1ccn(C)c1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000682234850 1041068649 /nfs/dbraw/zinc/06/86/49/1041068649.db2.gz NMMFTIPOBRUFTE-NSHDSACASA-N 0 3 313.357 3.572 20 30 DHEDHN CC[C@@H](CNCc1cccc(C#N)n1)Oc1ccccc1Cl ZINC000602565196 1041098995 /nfs/dbraw/zinc/09/89/95/1041098995.db2.gz DFCDRUGKEQGJKJ-HNNXBMFYSA-N 0 3 315.804 3.554 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000602578192 1041110188 /nfs/dbraw/zinc/11/01/88/1041110188.db2.gz KYAYFXXONLRASL-ZDUSSCGKSA-N 0 3 320.462 3.541 20 30 DHEDHN CC(C)(N[C@@H](c1nnc[nH]1)C1CCCCC1)c1cccc(C#N)c1 ZINC000602704561 1041168022 /nfs/dbraw/zinc/16/80/22/1041168022.db2.gz AMVYBQOILHNESR-QGZVFWFLSA-N 0 3 323.444 3.823 20 30 DHEDHN N#CC1CCC(N[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000602717930 1041174699 /nfs/dbraw/zinc/17/46/99/1041174699.db2.gz KXKIUKCQFZAUNN-MGULZYLOSA-N 0 3 313.228 3.699 20 30 DHEDHN C=CCOc1ccc(CN2CCC(SC)CC2)cc1OC ZINC000602727628 1041183305 /nfs/dbraw/zinc/18/33/05/1041183305.db2.gz FJZKDZUGWIMRSS-UHFFFAOYSA-N 0 3 307.459 3.587 20 30 DHEDHN N#CCC1(CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000602834710 1041249129 /nfs/dbraw/zinc/24/91/29/1041249129.db2.gz ZTKDESOGFWGXHB-CQSZACIVSA-N 0 3 313.228 3.700 20 30 DHEDHN N#CCC1(CN[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000602827942 1041246553 /nfs/dbraw/zinc/24/65/53/1041246553.db2.gz PKDPRVCOHIRCPT-CQSZACIVSA-N 0 3 320.234 3.579 20 30 DHEDHN CN(Cc1ccc(OCC(F)(F)F)cc1)CC1(CC#N)CC1 ZINC000602833615 1041247618 /nfs/dbraw/zinc/24/76/18/1041247618.db2.gz YBSGDSKKEWBWJG-UHFFFAOYSA-N 0 3 312.335 3.753 20 30 DHEDHN N#CCC1(CN[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000602827940 1041249418 /nfs/dbraw/zinc/24/94/18/1041249418.db2.gz PKDPRVCOHIRCPT-AWEZNQCLSA-N 0 3 320.234 3.579 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000598587122 1041346891 /nfs/dbraw/zinc/34/68/91/1041346891.db2.gz NCNJTPHBPZIINH-JKSUJKDBSA-N 0 3 306.837 3.778 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000598598473 1041359888 /nfs/dbraw/zinc/35/98/88/1041359888.db2.gz SACXAFHBPBIOGE-SFHVURJKSA-N 0 3 316.420 3.606 20 30 DHEDHN C=CCCOCCN[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000090883880 334950907 /nfs/dbraw/zinc/95/09/07/334950907.db2.gz ULHQGVZQUCYPHL-CYBMUJFWSA-N 0 3 317.458 3.757 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nc2c(s1)CCCC2 ZINC000280807490 334971134 /nfs/dbraw/zinc/97/11/34/334971134.db2.gz LNCUXHSJBBBCLM-WWGRRREGSA-N 0 3 306.475 3.654 20 30 DHEDHN C=CCC[C@H](NCc1ccnn1CCCOC)c1ccccc1 ZINC000282646900 334996852 /nfs/dbraw/zinc/99/68/52/334996852.db2.gz LQROJEOCSFAWJZ-IBGZPJMESA-N 0 3 313.445 3.717 20 30 DHEDHN CCN(C[C@H]1COc2ccccc2O1)[C@@H](C)c1cccc(C#N)c1 ZINC000442674694 335008564 /nfs/dbraw/zinc/00/85/64/335008564.db2.gz XAVCPMSUHMCZDR-YJBOKZPZSA-N 0 3 322.408 3.781 20 30 DHEDHN Clc1cccc(C#CCN2CCC3(CCOCC3)CC2)c1 ZINC000284654262 335016058 /nfs/dbraw/zinc/01/60/58/335016058.db2.gz FLEXVWDWMWHFJV-UHFFFAOYSA-N 0 3 303.833 3.584 20 30 DHEDHN COc1ccc(Oc2cc(CN[C@H]3CC[C@@H](C#N)C3)ccn2)cc1 ZINC000442705843 335030461 /nfs/dbraw/zinc/03/04/61/335030461.db2.gz BXBAXOBKMNNENV-ZBFHGGJFSA-N 0 3 323.396 3.664 20 30 DHEDHN C[C@H]1CCN(Cc2cccc(OCCCC#N)c2)CCS1 ZINC000190690538 335047205 /nfs/dbraw/zinc/04/72/05/335047205.db2.gz JNPNXNOQGVNGMT-HNNXBMFYSA-N 0 3 304.459 3.697 20 30 DHEDHN COc1ccc([C@H](C)NCc2cccc(C#N)c2)c(C)c1OC ZINC000285468859 131171273 /nfs/dbraw/zinc/17/12/73/131171273.db2.gz ASKQZIGJZSABFJ-AWEZNQCLSA-N 0 3 310.397 3.735 20 30 DHEDHN CCN(CC)[C@H](CNc1ccc(C#N)cn1)c1ccsc1 ZINC000298466500 132064319 /nfs/dbraw/zinc/06/43/19/132064319.db2.gz NRPLWWSBDDRRDL-OAHLLOKOSA-N 0 3 300.431 3.510 20 30 DHEDHN Cc1nc2ccccc2n1CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000120649820 132150299 /nfs/dbraw/zinc/15/02/99/132150299.db2.gz SGNDRXZZEXBRRL-AWEZNQCLSA-N 0 3 304.397 3.567 20 30 DHEDHN C=C[C@H](CO)N[C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000289802872 335065793 /nfs/dbraw/zinc/06/57/93/335065793.db2.gz OBOZYZBCEVPSAC-CABCVRRESA-N 0 3 314.454 3.632 20 30 DHEDHN Cc1nc(NC[C@@H](c2ccccc2)N2CCCC2)ccc1C#N ZINC000487895380 429171975 /nfs/dbraw/zinc/17/19/75/429171975.db2.gz INGIGHCPUGPQDS-SFHVURJKSA-N 0 3 306.413 3.511 20 30 DHEDHN CC[C@@H](C)N[C@H](CNc1ccc(Cl)c(C#N)n1)c1ccco1 ZINC000517981687 435621974 /nfs/dbraw/zinc/62/19/74/435621974.db2.gz INIRQKPKVPZBQS-BXUZGUMPSA-N 0 3 318.808 3.741 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNc1cc(C(C)C)ncn1)C(C)C ZINC000517639324 435603890 /nfs/dbraw/zinc/60/38/90/435603890.db2.gz MEZBFEIPCTYPIH-KRWDZBQOSA-N 0 3 302.466 3.711 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187190829 331505231 /nfs/dbraw/zinc/50/52/31/331505231.db2.gz GKEDUCYIFGPSNK-QAPCUYQASA-N 0 3 300.446 3.562 20 30 DHEDHN CN(CCCCNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000533448870 331533499 /nfs/dbraw/zinc/53/34/99/331533499.db2.gz KRKMJTCRZVYPCB-UHFFFAOYSA-N 0 3 311.404 3.704 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000533505180 331552329 /nfs/dbraw/zinc/55/23/29/331552329.db2.gz BSVZPWGOYPFPLU-VQIMIIECSA-N 0 3 312.457 3.707 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000188401878 331608551 /nfs/dbraw/zinc/60/85/51/331608551.db2.gz APIJDHKKNRMNOP-HXUWFJFHSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCN[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000538123684 331663631 /nfs/dbraw/zinc/66/36/31/331663631.db2.gz ZDZNEHOHCKFJLY-CQSZACIVSA-N 0 3 312.388 3.844 20 30 DHEDHN Cc1ccc(C)c(OCCNC2(c3cccc(C#N)c3)CC2)c1 ZINC000556510712 331711457 /nfs/dbraw/zinc/71/14/57/331711457.db2.gz OJIJOERDALHFSI-UHFFFAOYSA-N 0 3 306.409 3.833 20 30 DHEDHN N#CCc1cccc(NC2CCN(Cc3ccccc3)CC2)c1 ZINC000313473102 331959304 /nfs/dbraw/zinc/95/93/04/331959304.db2.gz FQDVHTKYRMMCRH-UHFFFAOYSA-N 0 3 305.425 3.829 20 30 DHEDHN C=CCOc1ccc(CNCc2ccccc2-n2cccn2)cc1 ZINC000128920508 332015790 /nfs/dbraw/zinc/01/57/90/332015790.db2.gz UNAMPCAOAIWWQR-UHFFFAOYSA-N 0 3 319.408 3.727 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1cc(Br)ccc1F ZINC000090883661 332053727 /nfs/dbraw/zinc/05/37/27/332053727.db2.gz SZAHOWACPXKROL-NSHDSACASA-N 0 3 316.214 3.832 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000410138459 332093010 /nfs/dbraw/zinc/09/30/10/332093010.db2.gz RKOZYXSWTWZADP-FUHWJXTLSA-N 0 3 318.436 3.509 20 30 DHEDHN C=CCN1CC[C@H](N(CCC)[C@H](CC)c2ccccc2)C1=O ZINC000410337357 332113971 /nfs/dbraw/zinc/11/39/71/332113971.db2.gz AMVVVWTWVPTIDE-MSOLQXFVSA-N 0 3 300.446 3.637 20 30 DHEDHN CN(CCCCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000091955732 332115998 /nfs/dbraw/zinc/11/59/98/332115998.db2.gz KGNINEWKKBJKGV-UHFFFAOYSA-N 0 3 318.424 3.661 20 30 DHEDHN C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093315919 332137412 /nfs/dbraw/zinc/13/74/12/332137412.db2.gz NGEGQRSHRKVLSL-INIZCTEOSA-N 0 3 323.440 3.935 20 30 DHEDHN Clc1ccccc1C#CCN1CCC[C@H]1[C@H]1CCCOC1 ZINC000573840356 332282346 /nfs/dbraw/zinc/28/23/46/332282346.db2.gz UZXKQJBZNIGSPP-WMZOPIPTSA-N 0 3 303.833 3.583 20 30 DHEDHN C=CCCC(=O)CS[C@H]1CCCN(Cc2ccccc2)C1 ZINC000574277729 332339861 /nfs/dbraw/zinc/33/98/61/332339861.db2.gz ZVAUDFVZSXROLH-SFHVURJKSA-N 0 3 303.471 3.920 20 30 DHEDHN C=CCOc1ccc(CN2CCC(C3CCOCC3)CC2)cc1 ZINC000560587343 332365936 /nfs/dbraw/zinc/36/59/36/332365936.db2.gz QPSIRGIFOVMNOC-UHFFFAOYSA-N 0 3 315.457 3.890 20 30 DHEDHN N#CCCCCNCc1ccc(Cl)cc1Br ZINC000124689603 332438733 /nfs/dbraw/zinc/43/87/33/332438733.db2.gz ARXVPEDHXNRFBM-UHFFFAOYSA-N 0 3 301.615 3.886 20 30 DHEDHN N#CCc1cccc(NC2CCN(CCC(F)(F)F)CC2)c1 ZINC000449693149 332487498 /nfs/dbraw/zinc/48/74/98/332487498.db2.gz DDBHZJNSPGGURM-UHFFFAOYSA-N 0 3 311.351 3.581 20 30 DHEDHN CC[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccncc1 ZINC000174435697 333086151 /nfs/dbraw/zinc/08/61/51/333086151.db2.gz WCPWZJAWKXEDNU-IBGZPJMESA-N 0 3 308.429 3.672 20 30 DHEDHN CC[C@H](C)CN(CC)CC(=O)Nc1ccccc1SCC#N ZINC000177853564 333132688 /nfs/dbraw/zinc/13/26/88/333132688.db2.gz NFNDJFWCEUJLIU-AWEZNQCLSA-N 0 3 319.474 3.609 20 30 DHEDHN Cc1ccc(OCCN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181996432 333174329 /nfs/dbraw/zinc/17/43/29/333174329.db2.gz STVORNYXKGLFIB-INIZCTEOSA-N 0 3 310.397 3.627 20 30 DHEDHN N#CCCC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000580328919 333198334 /nfs/dbraw/zinc/19/83/34/333198334.db2.gz MBYZJSKTOKWTBP-UHFFFAOYSA-N 0 3 300.431 3.654 20 30 DHEDHN CN(C)CCOc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1Cl ZINC000185741606 333213114 /nfs/dbraw/zinc/21/31/14/333213114.db2.gz RXYGOJIQKZUWDP-KGLIPLIRSA-N 0 3 321.852 3.775 20 30 DHEDHN CN(C)CCOc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1Cl ZINC000185741552 333213183 /nfs/dbraw/zinc/21/31/83/333213183.db2.gz RXYGOJIQKZUWDP-UONOGXRCSA-N 0 3 321.852 3.775 20 30 DHEDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185762354 333213744 /nfs/dbraw/zinc/21/37/44/333213744.db2.gz XBQBEKPAAJVLOR-RTBURBONSA-N 0 3 322.456 3.720 20 30 DHEDHN CC(C)CC(=O)Nc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185801443 333214237 /nfs/dbraw/zinc/21/42/37/333214237.db2.gz IRVYTOAINRVVST-RDJZCZTQSA-N 0 3 313.445 3.843 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185886737 333215424 /nfs/dbraw/zinc/21/54/24/333215424.db2.gz DIXSEWGYWFIPEB-GOEBONIOSA-N 0 3 306.331 3.729 20 30 DHEDHN C=CCC[C@@H](O)CN1CC=C(c2cncc3ccccc32)CC1 ZINC000364277618 333281836 /nfs/dbraw/zinc/28/18/36/333281836.db2.gz CUVDZFGKDJKGNM-GOSISDBHSA-N 0 3 308.425 3.651 20 30 DHEDHN N#CCCCN1CCC(Oc2ccccc2C(F)(F)F)CC1 ZINC000364327562 333288925 /nfs/dbraw/zinc/28/89/25/333288925.db2.gz ZFWPZHCQOSMPGF-UHFFFAOYSA-N 0 3 312.335 3.852 20 30 DHEDHN N#CCOc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1 ZINC000192981909 333296573 /nfs/dbraw/zinc/29/65/73/333296573.db2.gz ZNAQOVMFLYJBPO-LJQANCHMSA-N 0 3 307.397 3.626 20 30 DHEDHN COc1ccccc1[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)OC(C)C ZINC000193299213 333301350 /nfs/dbraw/zinc/30/13/50/333301350.db2.gz DXXBSLPFLRJLMD-FRQCXROJSA-N 0 3 316.445 3.833 20 30 DHEDHN CC1(C)[C@H](C(F)(F)F)CCN1CCOc1cccc(C#N)c1 ZINC000319489597 333308520 /nfs/dbraw/zinc/30/85/20/333308520.db2.gz HGGHECJULWPPEL-CQSZACIVSA-N 0 3 312.335 3.600 20 30 DHEDHN CCCCCCCN1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 ZINC000364883326 333332794 /nfs/dbraw/zinc/33/27/94/333332794.db2.gz URTUAHIRCGKTRN-HNNXBMFYSA-N 0 3 306.454 3.518 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000188418180 333366070 /nfs/dbraw/zinc/36/60/70/333366070.db2.gz CCKNEUNDVNQQGQ-OXJNMPFZSA-N 0 3 314.473 3.931 20 30 DHEDHN N#Cc1ccc(CNCC2(c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000186508406 333374003 /nfs/dbraw/zinc/37/40/03/333374003.db2.gz FYYAQKMWDGSEBD-UHFFFAOYSA-N 0 3 320.314 3.991 20 30 DHEDHN CC(C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(F)(F)F ZINC000525796428 333396653 /nfs/dbraw/zinc/39/66/53/333396653.db2.gz NXFUTKMMHUISGG-HTQZYQBOSA-N 0 3 316.348 3.881 20 30 DHEDHN C[C@@H](Nc1cccc(OCCN(C)C)c1)c1ccc(C#N)cc1 ZINC000320108796 333425461 /nfs/dbraw/zinc/42/54/61/333425461.db2.gz RAWWCYKQTXYTJX-OAHLLOKOSA-N 0 3 309.413 3.672 20 30 DHEDHN C=CCCCC[C@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000570973990 333471886 /nfs/dbraw/zinc/47/18/86/333471886.db2.gz FXKWQQXHYQHDEK-DLBZAZTESA-N 0 3 323.502 3.882 20 30 DHEDHN COCCSc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000339076043 333508173 /nfs/dbraw/zinc/50/81/73/333508173.db2.gz RJRIFHYVWYDSQH-DZKIICNBSA-N 0 3 304.459 3.768 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc2cccnc2o1 ZINC000563592426 333632558 /nfs/dbraw/zinc/63/25/58/333632558.db2.gz JYZONZRCLPEXMH-SFHVURJKSA-N 0 3 303.365 3.867 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000411179974 333641594 /nfs/dbraw/zinc/64/15/94/333641594.db2.gz LZIIZRPTXOWFPL-KFWWJZLASA-N 0 3 306.475 3.524 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000411179975 333641665 /nfs/dbraw/zinc/64/16/65/333641665.db2.gz LZIIZRPTXOWFPL-KKUMJFAQSA-N 0 3 306.475 3.524 20 30 DHEDHN C[C@H](NCCC1(C#N)CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000411476956 333679159 /nfs/dbraw/zinc/67/91/59/333679159.db2.gz CEGTZLONZBKMPX-OYHNWAKOSA-N 0 3 318.486 3.939 20 30 DHEDHN C=C(C)CN1CCC(N[C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186326259 335157111 /nfs/dbraw/zinc/15/71/11/335157111.db2.gz QGKAUFQXRVQGSQ-CQSZACIVSA-N 0 3 307.507 3.958 20 30 DHEDHN Cc1ccc([C@@H](CNc2nc(C)cc(C)c2C#N)N(C)C)cc1 ZINC000343361197 335159402 /nfs/dbraw/zinc/15/94/02/335159402.db2.gz OAAYUCWIXOICQI-GOSISDBHSA-N 0 3 308.429 3.593 20 30 DHEDHN C=CC[C@@H](C)[C@H](C)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186637564 335162357 /nfs/dbraw/zinc/16/23/57/335162357.db2.gz BYJCDAFXWWNZDM-GLJUWKHASA-N 0 3 301.409 3.839 20 30 DHEDHN CC(C)(CC#N)CN[C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000414166864 333916608 /nfs/dbraw/zinc/91/66/08/333916608.db2.gz OIUSEHODGBZOEY-IRXDYDNUSA-N 0 3 320.864 3.960 20 30 DHEDHN N#CCOc1ccc(CN2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000264567145 333957906 /nfs/dbraw/zinc/95/79/06/333957906.db2.gz PYYSQFZAXUCHQY-UHFFFAOYSA-N 0 3 322.408 3.674 20 30 DHEDHN C=CCCN(C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000343500953 335169853 /nfs/dbraw/zinc/16/98/53/335169853.db2.gz WYOMOCWWXBIGFQ-UHFFFAOYSA-N 0 3 318.424 3.942 20 30 DHEDHN C=CCOc1ccc(CNC(C)(C)COC(C)C)cc1OC ZINC000414548119 334015336 /nfs/dbraw/zinc/01/53/36/334015336.db2.gz JLRHTDFZAMZAPV-UHFFFAOYSA-N 0 3 307.434 3.553 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(OCc3ccccc3)c2)C1 ZINC000274206437 334057137 /nfs/dbraw/zinc/05/71/37/334057137.db2.gz MLTHSZJXGSCQCX-MJGOQNOKSA-N 0 3 321.424 3.833 20 30 DHEDHN CCc1ccc([C@@H](O)CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000276426631 334077988 /nfs/dbraw/zinc/07/79/88/334077988.db2.gz OUCBVUJBJUGYOJ-QRWLVFNGSA-N 0 3 324.424 3.536 20 30 DHEDHN CCCC1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279206542 334106412 /nfs/dbraw/zinc/10/64/12/334106412.db2.gz BILWYQMUXSYBML-ZCDLSOSASA-N 0 3 323.440 3.716 20 30 DHEDHN CC(C)N1CC[C@H](NCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279335487 334108038 /nfs/dbraw/zinc/10/80/38/334108038.db2.gz UJTVMJZIUYMDSR-DLBZAZTESA-N 0 3 323.843 3.896 20 30 DHEDHN Cc1ccnc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1C#N ZINC000343512815 335173269 /nfs/dbraw/zinc/17/32/69/335173269.db2.gz OLULSAKCGUKDCJ-WBVHZDCISA-N 0 3 306.413 3.509 20 30 DHEDHN C[C@H](CC1CCCCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279897432 334112645 /nfs/dbraw/zinc/11/26/45/334112645.db2.gz DLEZDBZEKQVDPN-DNVCBOLYSA-N 0 3 323.440 3.716 20 30 DHEDHN CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCCC1 ZINC000279989003 334113351 /nfs/dbraw/zinc/11/33/51/334113351.db2.gz IPHQJVZDYPQWJK-GOSISDBHSA-N 0 3 323.440 3.717 20 30 DHEDHN CCCCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280239419 334115685 /nfs/dbraw/zinc/11/56/85/334115685.db2.gz WPHSTUULXPXHHP-GOSISDBHSA-N 0 3 311.429 3.717 20 30 DHEDHN FC(F)(F)Oc1ccc(C#CCN2CCC3(CCC3)C2)cc1 ZINC000438534886 334126703 /nfs/dbraw/zinc/12/67/03/334126703.db2.gz LPEFTCMWYCZADK-UHFFFAOYSA-N 0 3 309.331 3.813 20 30 DHEDHN C=CCc1cc(CN[C@H](c2cccnc2)C2CC2)cc(OC)c1O ZINC000340107877 334127627 /nfs/dbraw/zinc/12/76/27/334127627.db2.gz ZUPNEVCBRAUCFM-IBGZPJMESA-N 0 3 324.424 3.765 20 30 DHEDHN N#CC1CCC(CNCc2csc(-c3ccccn3)n2)CC1 ZINC000281653788 334127666 /nfs/dbraw/zinc/12/76/66/334127666.db2.gz KELWNZMBCOVSJZ-UHFFFAOYSA-N 0 3 312.442 3.625 20 30 DHEDHN COc1ccc([C@H](NCc2ccc(C#N)c(OC)c2)C2CC2)cc1 ZINC000281689178 334127786 /nfs/dbraw/zinc/12/77/86/334127786.db2.gz MXOVTVYENUORSI-HXUWFJFHSA-N 0 3 322.408 3.816 20 30 DHEDHN CC(C)(C#N)CCN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282490198 334135033 /nfs/dbraw/zinc/13/50/33/334135033.db2.gz HRMSKAHCKAOKLO-QGZVFWFLSA-N 0 3 306.837 3.571 20 30 DHEDHN CC(C)(C#N)CCN[C@H](c1cncc(Br)c1)C1CC1 ZINC000284804615 334144464 /nfs/dbraw/zinc/14/44/64/334144464.db2.gz OWQZVLHMPQEPCT-AWEZNQCLSA-N 0 3 322.250 3.825 20 30 DHEDHN CC(C)(C#N)CCN(Cc1ccc(F)cc1)C1CCOCC1 ZINC000287604668 334158154 /nfs/dbraw/zinc/15/81/54/334158154.db2.gz DJLUPLYDYFZOHU-UHFFFAOYSA-N 0 3 304.409 3.747 20 30 DHEDHN CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000287743529 334158501 /nfs/dbraw/zinc/15/85/01/334158501.db2.gz YVMGUPSNWWKRPR-IMJJTQAJSA-N 0 3 302.418 3.827 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289372201 334164595 /nfs/dbraw/zinc/16/45/95/334164595.db2.gz AXTJROVBUGEUGF-ROUUACIJSA-N 0 3 312.457 3.877 20 30 DHEDHN Cc1cnccc1OC1CCN(CCCCC(C)(C)C#N)CC1 ZINC000289396478 334164803 /nfs/dbraw/zinc/16/48/03/334164803.db2.gz NGNAUCXCIUWCEP-UHFFFAOYSA-N 0 3 315.461 3.953 20 30 DHEDHN C#C[C@@H](NCc1ccc(OC)c(OCCCC#N)c1)C(C)(C)C ZINC000290234173 334171796 /nfs/dbraw/zinc/17/17/96/334171796.db2.gz TYIBOZJKPUIFGM-GOSISDBHSA-N 0 3 314.429 3.515 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC000290528388 334173371 /nfs/dbraw/zinc/17/33/71/334173371.db2.gz ZHHWVODZYPHETA-XFWGSAIBSA-N 0 3 306.409 3.743 20 30 DHEDHN N#CCC1(CN[C@H]2CCc3sc(Br)cc32)CC1 ZINC000340373995 334177351 /nfs/dbraw/zinc/17/73/51/334177351.db2.gz BHHZETVRVDVHPU-JTQLQIEISA-N 0 3 311.248 3.781 20 30 DHEDHN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)CCOCCC#N ZINC000293508213 334198455 /nfs/dbraw/zinc/19/84/55/334198455.db2.gz OELLSSNPCRWUBE-GFCCVEGCSA-N 0 3 300.324 3.628 20 30 DHEDHN CN(CCc1cccc(Br)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000293576413 334199096 /nfs/dbraw/zinc/19/90/96/334199096.db2.gz NJOQLHWJQJMKKJ-DZGCQCFKSA-N 0 3 307.235 3.616 20 30 DHEDHN CC(C)CCOc1ccc([C@@H](C)NCCOCCC#N)cc1 ZINC000293739545 334201742 /nfs/dbraw/zinc/20/17/42/334201742.db2.gz HLTRJSNXTHLRFN-MRXNPFEDSA-N 0 3 304.434 3.692 20 30 DHEDHN N#CCCOCCN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000294553243 334210862 /nfs/dbraw/zinc/21/08/62/334210862.db2.gz KXZGQKCKQPPKGF-OAHLLOKOSA-N 0 3 312.335 3.676 20 30 DHEDHN COc1ccc2c(c1)C[C@H](N[C@H](CCC#N)c1ccccc1)CO2 ZINC000296657390 334235820 /nfs/dbraw/zinc/23/58/20/334235820.db2.gz DWXNCVOHJSPHDP-PKOBYXMFSA-N 0 3 322.408 3.633 20 30 DHEDHN C=CCCCN(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000163861431 334263722 /nfs/dbraw/zinc/26/37/22/334263722.db2.gz JNGLRYAZNZESIH-UHFFFAOYSA-N 0 3 314.473 3.713 20 30 DHEDHN CC[C@@H](CC#N)N[C@@H]1CCc2cc(Br)ccc2C1 ZINC000110823126 334291386 /nfs/dbraw/zinc/29/13/86/334291386.db2.gz WPIQWRCZHRRCHS-LSDHHAIUSA-N 0 3 307.235 3.588 20 30 DHEDHN C=C[C@H](CC(=O)NCCN1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000534679539 334323966 /nfs/dbraw/zinc/32/39/66/334323966.db2.gz DFQSYHBIMOUSHL-KZNAEPCWSA-N 0 3 314.473 3.725 20 30 DHEDHN CC(=O)Nc1ccccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000341651574 334469046 /nfs/dbraw/zinc/46/90/46/334469046.db2.gz BMHMRNYFEGTHGU-FQEVSTJZSA-N 0 3 319.408 3.684 20 30 DHEDHN CCC[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342730030 334569610 /nfs/dbraw/zinc/56/96/10/334569610.db2.gz PFVBODJHPPIZHL-SFHVURJKSA-N 0 3 304.397 3.837 20 30 DHEDHN N#Cc1ccc2ncc(CN[C@H]3CCc4c3cccc4Cl)n2c1 ZINC000342735068 334570157 /nfs/dbraw/zinc/57/01/57/334570157.db2.gz WDLNJRZIYKGCDN-KRWDZBQOSA-N 0 3 322.799 3.636 20 30 DHEDHN CNCc1ccccc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000415912252 334627760 /nfs/dbraw/zinc/62/77/60/334627760.db2.gz KZWCQRKTCQIOTE-QGZVFWFLSA-N 0 3 322.412 3.573 20 30 DHEDHN C=CCOc1ccccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000535510667 334737547 /nfs/dbraw/zinc/73/75/47/334737547.db2.gz JZDKIRWWWSXBOT-QXAKKESOSA-N 0 3 313.441 3.689 20 30 DHEDHN Cc1oc([N-]C(=O)[C@@H](C)[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c(C#N)c1C ZINC000331340515 334854823 /nfs/dbraw/zinc/85/48/23/334854823.db2.gz KBRQSHXUWHRWGB-WNCDQNTKSA-N 0 3 317.433 3.509 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccccc1-n1cccn1 ZINC000343702094 335189158 /nfs/dbraw/zinc/18/91/58/335189158.db2.gz YEKOZDDKIVLYAM-MRXNPFEDSA-N 0 3 316.408 3.789 20 30 DHEDHN C[C@@H](CCO)N(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000343770613 335191782 /nfs/dbraw/zinc/19/17/82/335191782.db2.gz QPVCTRKKOVZMGK-KRWDZBQOSA-N 0 3 308.425 3.526 20 30 DHEDHN COc1ccccc1[C@@H](CN[C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000344092734 335217276 /nfs/dbraw/zinc/21/72/76/335217276.db2.gz QWRIHCICUDRXQZ-DNVCBOLYSA-N 0 3 323.440 3.520 20 30 DHEDHN C[C@@H](NCc1cccc(-n2ccnc2)c1)c1cccc(C#N)c1 ZINC000344105848 335223688 /nfs/dbraw/zinc/22/36/88/335223688.db2.gz QKWDNZJZGRXZDH-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN C[C@H](c1ccccc1)N1CC[C@H](NCc2cc(C#N)cs2)C1 ZINC000344222272 335229516 /nfs/dbraw/zinc/22/95/16/335229516.db2.gz WSFWWRZUZHHKSR-PBHICJAKSA-N 0 3 311.454 3.545 20 30 DHEDHN CC[C@H](CC#N)N[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000344684284 335266405 /nfs/dbraw/zinc/26/64/05/335266405.db2.gz CBYNDBXXPPVUNW-CMPLNLGQSA-N 0 3 313.214 3.801 20 30 DHEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000344684294 335266566 /nfs/dbraw/zinc/26/65/66/335266566.db2.gz CBYNDBXXPPVUNW-JQWIXIFHSA-N 0 3 313.214 3.801 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2cc(F)c3ccccc3c2)nc(C)n1 ZINC000344731670 335272024 /nfs/dbraw/zinc/27/20/24/335272024.db2.gz PJHOSKXTBHAQTI-INIZCTEOSA-N 0 3 319.339 3.876 20 30 DHEDHN N#Cc1ccc(CN2CCC(Cc3ccccc3CO)CC2)cc1 ZINC000347651057 335517617 /nfs/dbraw/zinc/51/76/17/335517617.db2.gz QUBSEZXVWUEWRN-UHFFFAOYSA-N 0 3 320.436 3.505 20 30 DHEDHN CCO[C@@H]1C[C@H](NCc2ccc(F)c(C#N)c2)C12CCCC2 ZINC000347705905 335523061 /nfs/dbraw/zinc/52/30/61/335523061.db2.gz NHULSSDJGKVANJ-DLBZAZTESA-N 0 3 302.393 3.525 20 30 DHEDHN COc1cc(F)c([C@H](C)NCC(C)(C)CCC#N)cc1OC ZINC000348196861 335564626 /nfs/dbraw/zinc/56/46/26/335564626.db2.gz ISRYMKDPBORJCC-LBPRGKRZSA-N 0 3 308.397 3.823 20 30 DHEDHN N#CCC1(CN[C@@H]2CCc3c2cccc3Br)CC1 ZINC000348353668 335579982 /nfs/dbraw/zinc/57/99/82/335579982.db2.gz HWCDIONMOKVSCT-CQSZACIVSA-N 0 3 305.219 3.720 20 30 DHEDHN C=CCC[C@H](O)CN[C@@H](CC(F)(F)F)c1ccccc1C ZINC000444784096 338488625 /nfs/dbraw/zinc/48/86/25/338488625.db2.gz URALZIQBOKBGBU-ZFWWWQNUSA-N 0 3 301.352 3.905 20 30 DHEDHN CNC(=O)C1CCC(N[C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000329151468 335946358 /nfs/dbraw/zinc/94/63/58/335946358.db2.gz SIRLGOTVXHCJSY-PNESKVBLSA-N 0 3 321.490 3.818 20 30 DHEDHN Cc1cccc2c1OC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)C2 ZINC000520667023 336004268 /nfs/dbraw/zinc/00/42/68/336004268.db2.gz ZBHFJSGEJXQDIL-CXAGYDPISA-N 0 3 310.372 3.660 20 30 DHEDHN COc1ccc(CN2CCC(CCC#N)CC2)c(C)c1OC ZINC000583631540 336007731 /nfs/dbraw/zinc/00/77/31/336007731.db2.gz FDAWIQDZJKMMDP-UHFFFAOYSA-N 0 3 302.418 3.528 20 30 DHEDHN C=CCN(Cc1ccccc1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000351581082 336047072 /nfs/dbraw/zinc/04/70/72/336047072.db2.gz GFELVJWJNSLPRB-UHFFFAOYSA-N 0 3 318.424 3.764 20 30 DHEDHN CC(C)[C@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332670491 336178372 /nfs/dbraw/zinc/17/83/72/336178372.db2.gz QKUXRQRSKQBXIT-SJORKVTESA-N 0 3 324.428 3.913 20 30 DHEDHN CC1(C)C[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)CO1 ZINC000417962771 336213757 /nfs/dbraw/zinc/21/37/57/336213757.db2.gz CPNRLBTVEOLWHT-GOSISDBHSA-N 0 3 306.409 3.882 20 30 DHEDHN CC1(C)C[C@H](NCc2ccc(-c3ccccc3C#N)cc2)CO1 ZINC000417962774 336213827 /nfs/dbraw/zinc/21/38/27/336213827.db2.gz CPNRLBTVEOLWHT-SFHVURJKSA-N 0 3 306.409 3.882 20 30 DHEDHN CCN(Cc1ccc(C#N)o1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000352681723 336230167 /nfs/dbraw/zinc/23/01/67/336230167.db2.gz NEYCYKBLSXCBFV-AEFFLSMTSA-N 0 3 323.440 3.809 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000352812297 336245998 /nfs/dbraw/zinc/24/59/98/336245998.db2.gz XMXXZSCTIYOIOK-LBPRGKRZSA-N 0 3 300.349 3.562 20 30 DHEDHN COc1ccc(CN2CC[C@@](C)(c3ccccc3)C2)cc1C#N ZINC000532745087 336269144 /nfs/dbraw/zinc/26/91/44/336269144.db2.gz HTMXBSBNTPVUFF-HXUWFJFHSA-N 0 3 306.409 3.730 20 30 DHEDHN C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1cccc(C#N)c1 ZINC000192935638 336285355 /nfs/dbraw/zinc/28/53/55/336285355.db2.gz GMHGSSBMQWILJK-CRAIPNDOSA-N 0 3 309.413 3.639 20 30 DHEDHN N#Cc1cc(F)ccc1NCCCN1CCc2ccccc2C1 ZINC000301354347 336302168 /nfs/dbraw/zinc/30/21/68/336302168.db2.gz JZRZSGXYIIZLON-UHFFFAOYSA-N 0 3 309.388 3.558 20 30 DHEDHN C=C(C)CN1CCC(Nc2cc(C#N)nc3ccccc32)CC1 ZINC000301409598 336304850 /nfs/dbraw/zinc/30/48/50/336304850.db2.gz XGMPXASTRGXKTH-UHFFFAOYSA-N 0 3 306.413 3.559 20 30 DHEDHN C[C@@H]1CN(CCCCNc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000301710418 336324864 /nfs/dbraw/zinc/32/48/64/336324864.db2.gz HSECTMDZLKMJKB-OKILXGFUSA-N 0 3 321.852 3.513 20 30 DHEDHN C=CCN1CCC(Nc2cc(C(C)C)nc(C(C)C)n2)CC1 ZINC000301826440 336332578 /nfs/dbraw/zinc/33/25/78/336332578.db2.gz OZGJJCDLTMAEHH-UHFFFAOYSA-N 0 3 302.466 3.786 20 30 DHEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1ccc(Cl)c(C#N)n1 ZINC000302050189 336345572 /nfs/dbraw/zinc/34/55/72/336345572.db2.gz ZZJBWVGUYWYPJZ-ZDUSSCGKSA-N 0 3 314.820 3.539 20 30 DHEDHN Cc1ccc(NC[C@@H](c2cccs2)N2CCCC2)nc1C#N ZINC000302715208 336366242 /nfs/dbraw/zinc/36/62/42/336366242.db2.gz MTLMEFNCNVUIRY-HNNXBMFYSA-N 0 3 312.442 3.572 20 30 DHEDHN CCN(CC)[C@H](CNc1c(C#N)cccc1C#N)c1ccco1 ZINC000302905681 336373999 /nfs/dbraw/zinc/37/39/99/336373999.db2.gz WARAVSZDKGWPQE-MRXNPFEDSA-N 0 3 308.385 3.518 20 30 DHEDHN N#Cc1ccc(CNCCC2(F)CCC2)c(C(F)(F)F)c1 ZINC000352933339 336377983 /nfs/dbraw/zinc/37/79/83/336377983.db2.gz GDLKUUXRUVCBRG-UHFFFAOYSA-N 0 3 300.299 3.949 20 30 DHEDHN N#CCCCOc1cccc(CNCC2(C(F)(F)F)CC2)c1 ZINC000353050603 336391565 /nfs/dbraw/zinc/39/15/65/336391565.db2.gz FUEHJOUZOIZYLC-UHFFFAOYSA-N 0 3 312.335 3.801 20 30 DHEDHN CCOc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccc1OC ZINC000353236343 336407608 /nfs/dbraw/zinc/40/76/08/336407608.db2.gz CRRTXYNSPZDWDN-SFHVURJKSA-N 0 3 322.408 3.743 20 30 DHEDHN C=CCCC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000353344648 336412923 /nfs/dbraw/zinc/41/29/23/336412923.db2.gz LWPMFBMWZOWREK-UHFFFAOYSA-N 0 3 312.457 3.514 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc(C#N)cc1 ZINC000353649405 336431511 /nfs/dbraw/zinc/43/15/11/336431511.db2.gz NYUAKEBUCBKUFT-GOSISDBHSA-N 0 3 305.381 3.679 20 30 DHEDHN N#CCCCNCc1ccc(Br)cc1C(F)(F)F ZINC000354628677 336476937 /nfs/dbraw/zinc/47/69/37/336476937.db2.gz BDAOZINWGSZSSB-UHFFFAOYSA-N 0 3 321.140 3.861 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000356106401 336535811 /nfs/dbraw/zinc/53/58/11/336535811.db2.gz KCQIVGPPXTVRRU-HUUCEWRRSA-N 0 3 312.335 3.624 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](CO)c1ccccc1 ZINC000360645280 336717086 /nfs/dbraw/zinc/71/70/86/336717086.db2.gz CTNMSZBZKBFAQT-WOJBJXKFSA-N 0 3 306.409 3.649 20 30 DHEDHN C=CCC[C@H](NCc1cccc(-n2cncn2)c1)c1ccco1 ZINC000367595267 336826115 /nfs/dbraw/zinc/82/61/15/336826115.db2.gz AXPNTNLVQUKZNH-KRWDZBQOSA-N 0 3 308.385 3.657 20 30 DHEDHN C[C@@H](NC[C@]1(C)OCCc2sccc21)c1ccc(C#N)cc1 ZINC000368095776 336837971 /nfs/dbraw/zinc/83/79/71/336837971.db2.gz SFCINJQMOIDKLM-ACJLOTCBSA-N 0 3 312.438 3.758 20 30 DHEDHN C=CCN1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000370169694 336879068 /nfs/dbraw/zinc/87/90/68/336879068.db2.gz RILSLONAZUJZLY-UHFFFAOYSA-N 0 3 303.356 3.720 20 30 DHEDHN COC(=O)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000418144422 336896785 /nfs/dbraw/zinc/89/67/85/336896785.db2.gz KOXDHHILWLKGDQ-IBGZPJMESA-N 0 3 320.392 3.512 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(Cc2ccccn2)CC1 ZINC000372602776 336935829 /nfs/dbraw/zinc/93/58/29/336935829.db2.gz RVJFCPDUUBQLGS-INIZCTEOSA-N 0 3 305.425 3.969 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@]3(CCCCO3)C2)cc1 ZINC000376116939 337027480 /nfs/dbraw/zinc/02/74/80/337027480.db2.gz RIDOMXCWXHZPIM-APWZRJJASA-N 0 3 314.429 3.513 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN[C@@H](c2ccccn2)C2CCCC2)cc1 ZINC000376162317 337028622 /nfs/dbraw/zinc/02/86/22/337028622.db2.gz LUFQZASAZKZPKK-VQTJNVASSA-N 0 3 321.424 3.508 20 30 DHEDHN C=CCC[C@H](O)CN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000122968562 337031202 /nfs/dbraw/zinc/03/12/02/337031202.db2.gz ATGNGZFLVJKTOJ-INIZCTEOSA-N 0 3 314.404 3.723 20 30 DHEDHN CN1CCC[C@H](CNc2cc(C#N)ccn2)[C@H]1c1cccs1 ZINC000376449691 337033743 /nfs/dbraw/zinc/03/37/43/337033743.db2.gz QINAIQZVJRFNJA-PBHICJAKSA-N 0 3 312.442 3.510 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)c1ccncc1-c1cccnc1 ZINC000377060914 337046241 /nfs/dbraw/zinc/04/62/41/337046241.db2.gz ISRWLGCYWKGAJE-UHFFFAOYSA-N 0 3 300.365 3.652 20 30 DHEDHN C[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc(C#N)cc1Cl ZINC000378152831 337067283 /nfs/dbraw/zinc/06/72/83/337067283.db2.gz UJFJXDQTEYHYNQ-NBHSMZAVSA-N 0 3 312.800 3.521 20 30 DHEDHN C[C@@H](NCc1ccccc1-c1cnn(C)c1)c1cccc(C#N)c1 ZINC000378459348 337073343 /nfs/dbraw/zinc/07/33/43/337073343.db2.gz ZIKZKKAQZAZEPL-OAHLLOKOSA-N 0 3 316.408 3.810 20 30 DHEDHN N#CCCCN[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000360023095 337084040 /nfs/dbraw/zinc/08/40/40/337084040.db2.gz RFCXMUDHQVGKHV-IAQYHMDHSA-N 0 3 313.228 3.964 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000171548348 337087485 /nfs/dbraw/zinc/08/74/85/337087485.db2.gz PCIFFBGLZJEXAX-UHFFFAOYSA-N 0 3 307.825 3.502 20 30 DHEDHN C=CCCCC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000176249026 337149690 /nfs/dbraw/zinc/14/96/90/337149690.db2.gz FNDVFKKOWJQLCT-LJQANCHMSA-N 0 3 314.473 3.713 20 30 DHEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000176129468 337150391 /nfs/dbraw/zinc/15/03/91/337150391.db2.gz DGHOPYOZSOBINT-SJLPKXTDSA-N 0 3 300.446 3.512 20 30 DHEDHN C=CCC[C@H](O)CN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000178078131 337159613 /nfs/dbraw/zinc/15/96/13/337159613.db2.gz WHXKSZGLWLBDMA-KRWDZBQOSA-N 0 3 321.848 3.562 20 30 DHEDHN C=CCOc1cccc(CN(CC)CCc2nccs2)c1 ZINC000180026990 337173180 /nfs/dbraw/zinc/17/31/80/337173180.db2.gz PZXPSURLSDZWRU-UHFFFAOYSA-N 0 3 302.443 3.773 20 30 DHEDHN Cc1cccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180041766 337173414 /nfs/dbraw/zinc/17/34/14/337173414.db2.gz BBTUTRHWMVCSPX-UHFFFAOYSA-N 0 3 316.408 3.557 20 30 DHEDHN C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000182942035 337190763 /nfs/dbraw/zinc/19/07/63/337190763.db2.gz ZDAGTQXXOKXNGU-CYBMUJFWSA-N 0 3 310.401 3.667 20 30 DHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000216661461 337223921 /nfs/dbraw/zinc/22/39/21/337223921.db2.gz UUVHHUVNOWBQFD-ZDUSSCGKSA-N 0 3 300.789 3.941 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000185586126 337249305 /nfs/dbraw/zinc/24/93/05/337249305.db2.gz LCWYCEVELXKPEI-DLBZAZTESA-N 0 3 314.473 3.931 20 30 DHEDHN C=CC[C@H](CC)NCc1cc2c(cc1Br)OCO2 ZINC000393757282 337258791 /nfs/dbraw/zinc/25/87/91/337258791.db2.gz SZMXGRCKUSQJAW-NSHDSACASA-N 0 3 312.207 3.622 20 30 DHEDHN C=CCC[C@H](O)CN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189815030 337283347 /nfs/dbraw/zinc/28/33/47/337283347.db2.gz YEHVFNBZWSXKOK-INIZCTEOSA-N 0 3 314.429 3.643 20 30 DHEDHN Cn1cc(CN(C2CC2)[C@H]2CCCc3ccccc32)cc1C#N ZINC000191241436 337295165 /nfs/dbraw/zinc/29/51/65/337295165.db2.gz FGCSFNKXXHJVMB-FQEVSTJZSA-N 0 3 305.425 3.939 20 30 DHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(-c2ccncc2)cc1 ZINC000191263025 337295259 /nfs/dbraw/zinc/29/52/59/337295259.db2.gz CTCVIVBYTASKJN-HNNXBMFYSA-N 0 3 316.408 3.810 20 30 DHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(-c2ccncc2)cc1 ZINC000191263044 337295265 /nfs/dbraw/zinc/29/52/65/337295265.db2.gz CTCVIVBYTASKJN-OAHLLOKOSA-N 0 3 316.408 3.810 20 30 DHEDHN C=CCOc1ccc(CN2CCSCC[C@H]2C)cc1OC ZINC000191815698 337300364 /nfs/dbraw/zinc/30/03/64/337300364.db2.gz HESKOTUTDKSCDP-CQSZACIVSA-N 0 3 307.459 3.587 20 30 DHEDHN Cc1cc(-n2ccnc2)ccc1CN(C)Cc1cccc(C#N)c1 ZINC000191889558 337300903 /nfs/dbraw/zinc/30/09/03/337300903.db2.gz VMISXDACNGHIRV-UHFFFAOYSA-N 0 3 316.408 3.684 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC1 ZINC000191825574 337301685 /nfs/dbraw/zinc/30/16/85/337301685.db2.gz WDVAIQGAFAXDIM-SFHVURJKSA-N 0 3 312.457 3.514 20 30 DHEDHN CC[C@H](NCC#Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000192152938 337303262 /nfs/dbraw/zinc/30/32/62/337303262.db2.gz SREMPNKSGRAOIW-SFHVURJKSA-N 0 3 307.393 3.550 20 30 DHEDHN CC(C)[C@H](CN(C)Cc1ccccc1)Nc1cccnc1C#N ZINC000398006682 337303635 /nfs/dbraw/zinc/30/36/35/337303635.db2.gz BGAGRPSHQOELPF-IBGZPJMESA-N 0 3 308.429 3.522 20 30 DHEDHN CC(C)CN(CC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000532922967 337326629 /nfs/dbraw/zinc/32/66/29/337326629.db2.gz TZJDXGSHGIUXHE-UHFFFAOYSA-N 0 3 307.825 3.517 20 30 DHEDHN N#Cc1cnn2cc(CN3CCCC4(C3)CCCCCC4)cnc12 ZINC000583872484 337365189 /nfs/dbraw/zinc/36/51/89/337365189.db2.gz LTIRTEJWOPWFCD-UHFFFAOYSA-N 0 3 323.444 3.537 20 30 DHEDHN CC(C)(C)OC1CC(CCNCc2ccc(C#N)cc2F)C1 ZINC000432239987 337535761 /nfs/dbraw/zinc/53/57/61/337535761.db2.gz HZAFNGPIOLSDMM-UHFFFAOYSA-N 0 3 304.409 3.771 20 30 DHEDHN C[C@@H]1CC[C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000248588472 337566002 /nfs/dbraw/zinc/56/60/02/337566002.db2.gz YNNPBOKGUUXWOT-WWGRRREGSA-N 0 3 310.401 3.523 20 30 DHEDHN C=C[C@@H](CC(=O)NC[C@H](N)c1ccccc1CC)c1ccccc1 ZINC000571804787 337577504 /nfs/dbraw/zinc/57/75/04/337577504.db2.gz ZOHSXDWBVVDXIH-PXNSSMCTSA-N 0 3 322.452 3.725 20 30 DHEDHN C#CCCN[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271836104 337645553 /nfs/dbraw/zinc/64/55/53/337645553.db2.gz XSQSDWPIBLQFIR-HNNXBMFYSA-N 0 3 324.399 3.681 20 30 DHEDHN C=CCCCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000274598334 337660232 /nfs/dbraw/zinc/66/02/32/337660232.db2.gz HCKQHKKVJWVKPS-UHFFFAOYSA-N 0 3 300.402 3.581 20 30 DHEDHN C=CCC[C@@H](NC[C@@H](O)c1ccc(OC)cc1)c1ccco1 ZINC000276387643 337664598 /nfs/dbraw/zinc/66/45/98/337664598.db2.gz AYMSNFFEUADAKS-IAGOWNOFSA-N 0 3 301.386 3.619 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000279034332 337668560 /nfs/dbraw/zinc/66/85/60/337668560.db2.gz WXIMPOLSLQTXJA-UHFFFAOYSA-N 0 3 313.445 3.726 20 30 DHEDHN CCOc1cc(CNCC2CCC(C#N)CC2)c(F)cc1OC ZINC000527704480 337757895 /nfs/dbraw/zinc/75/78/95/337757895.db2.gz WCTBRTTXMHIUGY-UHFFFAOYSA-N 0 3 320.408 3.653 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(Sc2ccccn2)o1 ZINC000424166557 337789663 /nfs/dbraw/zinc/78/96/63/337789663.db2.gz CPWCGSFNXORLEO-ZFWWWQNUSA-N 0 3 316.426 3.507 20 30 DHEDHN C=CCn1cc(CN[C@@H]2C[C@H](C)C[C@H](c3ccccc3)C2)nn1 ZINC000424173877 337794209 /nfs/dbraw/zinc/79/42/09/337794209.db2.gz QHTZUZOZQMKAQC-BPQIPLTHSA-N 0 3 310.445 3.526 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000106338879 337816636 /nfs/dbraw/zinc/81/66/36/337816636.db2.gz RAUTWDVDCSRUJV-MSOLQXFVSA-N 0 3 321.509 3.541 20 30 DHEDHN COc1cc(OC)c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000424337597 337823011 /nfs/dbraw/zinc/82/30/11/337823011.db2.gz ZPQOWNOIVYJMBN-SDDRHHMPSA-N 0 3 308.809 3.700 20 30 DHEDHN C=C(C)C(C)(C)c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000424352455 337824901 /nfs/dbraw/zinc/82/49/01/337824901.db2.gz YHMOMKBNSAWPOW-UHFFFAOYSA-N 0 3 315.417 3.531 20 30 DHEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000090451143 337880991 /nfs/dbraw/zinc/88/09/91/337880991.db2.gz YIZVIUFGSLHHGL-LBPRGKRZSA-N 0 3 315.360 3.540 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000424659353 337944330 /nfs/dbraw/zinc/94/43/30/337944330.db2.gz BBNQPTWFAXGLSJ-UHFFFAOYSA-N 0 3 314.473 3.712 20 30 DHEDHN COc1cccc2c1CCC[C@H]2NCc1ccc(C#N)c(F)c1 ZINC000515777320 337997811 /nfs/dbraw/zinc/99/78/11/337997811.db2.gz RZKVECCUSJGLRC-GOSISDBHSA-N 0 3 310.372 3.873 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCN(c3ccccc3F)C1)CC2 ZINC000426301546 338025559 /nfs/dbraw/zinc/02/55/59/338025559.db2.gz NMRCCTWYVDSEFO-VQIMIIECSA-N 0 3 321.399 3.553 20 30 DHEDHN C=CCC(C)(C)c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000426423354 338031831 /nfs/dbraw/zinc/03/18/31/338031831.db2.gz YNANNRBBGZGCRX-UHFFFAOYSA-N 0 3 315.417 3.531 20 30 DHEDHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CC1(C)C ZINC000426542251 338034505 /nfs/dbraw/zinc/03/45/05/338034505.db2.gz DOFWNKBGFOVKPO-QGZVFWFLSA-N 0 3 308.429 3.694 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000428393927 338050004 /nfs/dbraw/zinc/05/00/04/338050004.db2.gz QPHRRJXNNDYUQW-IBGZPJMESA-N 0 3 301.430 3.642 20 30 DHEDHN C=CCC[C@H](N[C@@H]1COc2cc(OC)ccc2C1)c1ccco1 ZINC000428466442 338053857 /nfs/dbraw/zinc/05/38/57/338053857.db2.gz VRZLVHOGSVCZDL-RDJZCZTQSA-N 0 3 313.397 3.889 20 30 DHEDHN COc1cc(C#N)ccc1OCCN(C)Cc1cccc(C)c1C ZINC000428724517 338059573 /nfs/dbraw/zinc/05/95/73/338059573.db2.gz WPDANAFWVLBQJD-UHFFFAOYSA-N 0 3 324.424 3.695 20 30 DHEDHN COc1cc(C#N)ccc1OCCN(C)Cc1cc(C)ccc1C ZINC000429301225 338077237 /nfs/dbraw/zinc/07/72/37/338077237.db2.gz KVMVLESDMORKJJ-UHFFFAOYSA-N 0 3 324.424 3.695 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(C)(F)F)cc2)nc(C)n1 ZINC000429681302 338087103 /nfs/dbraw/zinc/08/71/03/338087103.db2.gz VQCOBFNPMVFNCK-AWEZNQCLSA-N 0 3 315.323 3.695 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1csc(-c2cccs2)n1 ZINC000429708692 338087932 /nfs/dbraw/zinc/08/79/32/338087932.db2.gz KXPRWZABFSMGBQ-UHFFFAOYSA-N 0 3 321.515 3.811 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000429865203 338091310 /nfs/dbraw/zinc/09/13/10/338091310.db2.gz GTGDIBBTEOKQHN-HNNXBMFYSA-N 0 3 308.491 3.850 20 30 DHEDHN N#CCC1(CNCc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000430024538 338093938 /nfs/dbraw/zinc/09/39/38/338093938.db2.gz STYJYMBTHIKHMR-UHFFFAOYSA-N 0 3 300.736 3.725 20 30 DHEDHN N#CCC1(CNCc2ccc(Cl)c(Br)c2)CC1 ZINC000430068809 338094798 /nfs/dbraw/zinc/09/47/98/338094798.db2.gz TZQJFGYRGQDTQU-UHFFFAOYSA-N 0 3 313.626 3.886 20 30 DHEDHN Cc1cccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)c1 ZINC000433028040 338177265 /nfs/dbraw/zinc/17/72/65/338177265.db2.gz XRLQKJPGOYXGNB-IBGZPJMESA-N 0 3 321.424 3.958 20 30 DHEDHN Cc1ccc(CN(C)C(=O)C(C#N)CCc2ccccc2)cc1 ZINC000433102749 338181950 /nfs/dbraw/zinc/18/19/50/338181950.db2.gz HHEVNZBMDFLVLO-IBGZPJMESA-N 0 3 306.409 3.726 20 30 DHEDHN CN(Cc1cccc(F)c1)C(=O)C(C#N)CCc1ccccc1 ZINC000433113210 338182271 /nfs/dbraw/zinc/18/22/71/338182271.db2.gz BQHJPGIIXRWAEK-KRWDZBQOSA-N 0 3 310.372 3.557 20 30 DHEDHN Cc1cc(CNc2cccc3c2OCC[C@@H]3N(C)C)ccc1C#N ZINC000433193520 338185089 /nfs/dbraw/zinc/18/50/89/338185089.db2.gz KJFDFUBRILCCGS-IBGZPJMESA-N 0 3 321.424 3.864 20 30 DHEDHN N#CCc1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000433301352 338190457 /nfs/dbraw/zinc/19/04/57/338190457.db2.gz VGFFFTIIRNYEAT-HXUWFJFHSA-N 0 3 320.436 3.746 20 30 DHEDHN CN(Cc1ccccc1F)C(=O)C(C#N)CCc1ccccc1 ZINC000433310370 338191080 /nfs/dbraw/zinc/19/10/80/338191080.db2.gz HKUXKWLVMCCBKV-INIZCTEOSA-N 0 3 310.372 3.557 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000433314447 338191729 /nfs/dbraw/zinc/19/17/29/338191729.db2.gz AORCTTPTZZGICZ-QFBILLFUSA-N 0 3 322.383 3.702 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2ccc(F)cc2s1 ZINC000435732962 338246845 /nfs/dbraw/zinc/24/68/45/338246845.db2.gz SMYOULSLRXCMBH-ZBEGNZNMSA-N 0 3 306.406 3.506 20 30 DHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1sccc1Br ZINC000435732810 338246863 /nfs/dbraw/zinc/24/68/63/338246863.db2.gz QVJQDCDTXINKIU-GXFFZTMASA-N 0 3 316.264 3.581 20 30 DHEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2c(C#N)cccc2C#N)C1 ZINC000436317717 338268892 /nfs/dbraw/zinc/26/88/92/338268892.db2.gz NFHYXSKRFZUKBR-KXBFYZLASA-N 0 3 316.408 3.677 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C(C)C)C1 ZINC000438486378 338345790 /nfs/dbraw/zinc/34/57/90/338345790.db2.gz PELNVWNFNBPHIS-HOTGVXAUSA-N 0 3 320.502 3.629 20 30 DHEDHN CC(C)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000438485499 338345906 /nfs/dbraw/zinc/34/59/06/338345906.db2.gz LQVGONXTQKIQIX-GXTWGEPZSA-N 0 3 319.836 3.517 20 30 DHEDHN C=C(C)[C@@H](NCC1(CC(=O)OC)CC1)c1ccc(F)c(F)c1 ZINC000440500918 338388755 /nfs/dbraw/zinc/38/87/55/338388755.db2.gz CNQOMFDKEWWPEN-MRXNPFEDSA-N 0 3 309.356 3.515 20 30 DHEDHN COc1cc(CNCC2(Sc3ccccc3)CC2)ccc1C#N ZINC000440825426 338398328 /nfs/dbraw/zinc/39/83/28/338398328.db2.gz KQJKGUSBRSKILI-UHFFFAOYSA-N 0 3 324.449 3.981 20 30 DHEDHN C=C(C)COc1cc(CN[C@H]2CCCC[C@@H]2OC)ccc1OC ZINC000441237982 338406230 /nfs/dbraw/zinc/40/62/30/338406230.db2.gz SVIGPPAJRSQJKE-IRXDYDNUSA-N 0 3 319.445 3.697 20 30 DHEDHN COc1cccc(Oc2ncccc2CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442779403 338430757 /nfs/dbraw/zinc/43/07/57/338430757.db2.gz MFXDAAUIJUAXFK-GDBMZVCRSA-N 0 3 323.396 3.664 20 30 DHEDHN CCNC(=O)c1ccc(CN[C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000447564808 338557187 /nfs/dbraw/zinc/55/71/87/338557187.db2.gz ZEZAGHUDIJYOTO-LJQANCHMSA-N 0 3 321.424 3.549 20 30 DHEDHN CC[C@@H](NCCOc1ncccc1Cl)c1ccc(C#N)cc1 ZINC000447582898 338559144 /nfs/dbraw/zinc/55/91/44/338559144.db2.gz ADUKBXMNMSOOOJ-MRXNPFEDSA-N 0 3 315.804 3.726 20 30 DHEDHN CC[C@@H](N[C@H](C)CC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000447589692 338560150 /nfs/dbraw/zinc/56/01/50/338560150.db2.gz YQOMZAUSLOUAST-CZUORRHYSA-N 0 3 302.418 3.719 20 30 DHEDHN Clc1ccccc1C#CCN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450857914 338708895 /nfs/dbraw/zinc/70/88/95/338708895.db2.gz KECHUGGDFSXOFQ-KBAYOESNSA-N 0 3 315.844 3.629 20 30 DHEDHN N#CCCOCCN1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000451532459 338738002 /nfs/dbraw/zinc/73/80/02/338738002.db2.gz TXWIONMCQKAOBX-UHFFFAOYSA-N 0 3 324.827 3.617 20 30 DHEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)c(C#N)c1C ZINC000452076718 338752793 /nfs/dbraw/zinc/75/27/93/338752793.db2.gz ZHSHRGULHXKCAC-WHOFXGATSA-N 0 3 317.433 3.511 20 30 DHEDHN C=C(C)COCCN[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000459453542 339029990 /nfs/dbraw/zinc/02/99/90/339029990.db2.gz XNYHZSKCIWUDEN-RCCFBDPRSA-N 0 3 321.486 3.507 20 30 DHEDHN C=CC[C@@H](CO)NCc1cc(-c2ccccc2C)ccc1OC ZINC000459473306 339031370 /nfs/dbraw/zinc/03/13/70/339031370.db2.gz BUAQVWICBHTSSU-SFHVURJKSA-N 0 3 311.425 3.697 20 30 DHEDHN C[C@H]1CCCC[C@]1(C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000459614406 339038633 /nfs/dbraw/zinc/03/86/33/339038633.db2.gz OFZVITSXPDUULL-UGSOOPFHSA-N 0 3 310.401 3.667 20 30 DHEDHN C[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000459787371 339048570 /nfs/dbraw/zinc/04/85/70/339048570.db2.gz BYSANFLMBMFITI-KGLIPLIRSA-N 0 3 302.418 3.529 20 30 DHEDHN C=CCOc1cccc(CNC[C@H](C)Oc2ccccc2F)c1 ZINC000462737434 339085913 /nfs/dbraw/zinc/08/59/13/339085913.db2.gz WHUIZQPSDDWVPP-HNNXBMFYSA-N 0 3 315.388 3.948 20 30 DHEDHN N#Cc1cccc(Cl)c1N[C@@H]1CCN(CC2CCCC2)C1 ZINC000462953797 339098967 /nfs/dbraw/zinc/09/89/67/339098967.db2.gz YVNUPUXPYKWUIG-OAHLLOKOSA-N 0 3 303.837 3.888 20 30 DHEDHN Cc1ccc([C@H](Cn2ccnc2)N[C@@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000463247223 339111858 /nfs/dbraw/zinc/11/18/58/339111858.db2.gz VACFDHGCROVXFP-NSHGMRRFSA-N 0 3 322.456 3.913 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H](C(C)C)CC2)CC1 ZINC000469409208 339288180 /nfs/dbraw/zinc/28/81/80/339288180.db2.gz BOGYWFAIPCAAHF-IRXDYDNUSA-N 0 3 321.509 3.541 20 30 DHEDHN C=CCC[C@H](O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469456284 339290029 /nfs/dbraw/zinc/29/00/29/339290029.db2.gz FEVZAZNOSAOBMF-INIZCTEOSA-N 0 3 307.384 3.771 20 30 DHEDHN CC(C)(NC(=O)C(C#N)CCc1ccccc1)c1cccc(F)c1 ZINC000469703115 339295885 /nfs/dbraw/zinc/29/58/85/339295885.db2.gz UJSQQEPTNUHWGC-INIZCTEOSA-N 0 3 324.399 3.950 20 30 DHEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000470600185 339322983 /nfs/dbraw/zinc/32/29/83/339322983.db2.gz GZYNOIBTHUPAMY-RISCZKNCSA-N 0 3 310.319 3.919 20 30 DHEDHN C=CCCCCN[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000471593166 339348532 /nfs/dbraw/zinc/34/85/32/339348532.db2.gz JGDMYJKZHAQVEZ-CYBMUJFWSA-N 0 3 302.397 3.722 20 30 DHEDHN C=CCC[C@H](CCC)NCc1nc2cc(OC)ccc2n1C ZINC000471609607 339349414 /nfs/dbraw/zinc/34/94/14/339349414.db2.gz CEDAIJLIOBFYIB-AWEZNQCLSA-N 0 3 301.434 3.806 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1cccc(Br)c1 ZINC000472776230 339377441 /nfs/dbraw/zinc/37/74/41/339377441.db2.gz USPDQWJFEOJCTB-CVEARBPZSA-N 0 3 324.262 3.913 20 30 DHEDHN C=CCOc1ccc(CNCCOC(F)(F)F)cc1Cl ZINC000473995674 339396700 /nfs/dbraw/zinc/39/67/00/339396700.db2.gz TYKVBOKKGDWZGZ-UHFFFAOYSA-N 0 3 309.715 3.531 20 30 DHEDHN C=CCNC(=O)[C@H](C)N1CCC(c2cccc3ccccc32)CC1 ZINC000476290739 339473510 /nfs/dbraw/zinc/47/35/10/339473510.db2.gz MJLDRQUQXBYHKR-INIZCTEOSA-N 0 3 322.452 3.710 20 30 DHEDHN C=CCOc1ccc(CNCc2cscc2C)cc1OC ZINC000487152565 339744587 /nfs/dbraw/zinc/74/45/87/339744587.db2.gz FFRHHESPJMXVBN-UHFFFAOYSA-N 0 3 303.427 3.920 20 30 DHEDHN FC(F)(F)c1ccc(C#CCNC/C=C/c2ccncc2)cc1 ZINC000487304116 339750261 /nfs/dbraw/zinc/75/02/61/339750261.db2.gz BUZBENBVPGDJCB-DUXPYHPUSA-N 0 3 316.326 3.755 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)cc1F)C(C)C ZINC000487632918 339759724 /nfs/dbraw/zinc/75/97/24/339759724.db2.gz BQYMWDHJUCIMLI-GOSISDBHSA-N 0 3 318.436 3.563 20 30 DHEDHN Cc1cc(CN[C@H](C)[C@@H]2OCCc3sccc32)ccc1C#N ZINC000492104577 339891581 /nfs/dbraw/zinc/89/15/81/339891581.db2.gz LQPNTOFWBHIQEO-ACJLOTCBSA-N 0 3 312.438 3.720 20 30 DHEDHN CC1(C)CCC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000492934844 339912789 /nfs/dbraw/zinc/91/27/89/339912789.db2.gz BSIZBUVDPNIQDC-AWEZNQCLSA-N 0 3 307.235 3.989 20 30 DHEDHN CC(C)C[C@@H](CN1CCC(CC#N)CC1)NC(=O)OC(C)(C)C ZINC000496787423 340012971 /nfs/dbraw/zinc/01/29/71/340012971.db2.gz UJOJMLBHSUBJAJ-INIZCTEOSA-N 0 3 323.481 3.551 20 30 DHEDHN N#Cc1ccc(OCCN(Cc2cccc(O)c2)CC2CC2)cc1 ZINC000498900192 340025356 /nfs/dbraw/zinc/02/53/56/340025356.db2.gz VWUNPSPPJYKCOB-UHFFFAOYSA-N 0 3 322.408 3.555 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(c2ccccc2)CC1 ZINC000502004594 340092604 /nfs/dbraw/zinc/09/26/04/340092604.db2.gz GADHEDJAJWDDNT-QGZVFWFLSA-N 0 3 314.473 3.679 20 30 DHEDHN C[C@@H](c1ccccc1)N1CCCN(c2ccccc2C#N)CC1 ZINC000502070051 340094688 /nfs/dbraw/zinc/09/46/88/340094688.db2.gz IJQJMXIDCZKRGC-KRWDZBQOSA-N 0 3 305.425 3.832 20 30 DHEDHN C=CCCCCCN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503247548 340123837 /nfs/dbraw/zinc/12/38/37/340123837.db2.gz XAKXHLOUMFLIGV-QGZVFWFLSA-N 0 3 302.462 3.884 20 30 DHEDHN C=CCCC[C@@H](C)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503268800 340124482 /nfs/dbraw/zinc/12/44/82/340124482.db2.gz KVEVGYARZPZWIV-IAGOWNOFSA-N 0 3 302.462 3.883 20 30 DHEDHN C=CCCc1ccccc1NC(=O)NCCN(C)CCCC ZINC000505060227 340160308 /nfs/dbraw/zinc/16/03/08/340160308.db2.gz DRMOXRWRMFTYCX-UHFFFAOYSA-N 0 3 303.450 3.659 20 30 DHEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCC1CCCCC1 ZINC000507588556 340225560 /nfs/dbraw/zinc/22/55/60/340225560.db2.gz UZFNKDLKOVOWAS-MRXNPFEDSA-N 0 3 319.493 3.620 20 30 DHEDHN CC(C)CN(Cc1cnc2ccccn12)Cc1ccc(C#N)cc1 ZINC000507734180 340229829 /nfs/dbraw/zinc/22/98/29/340229829.db2.gz UDDVCQJNKVUSRC-UHFFFAOYSA-N 0 3 318.424 3.864 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000507896392 340235388 /nfs/dbraw/zinc/23/53/88/340235388.db2.gz SDZLVFPRCLGHCY-JKSUJKDBSA-N 0 3 324.424 3.820 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000510316593 340295758 /nfs/dbraw/zinc/29/57/58/340295758.db2.gz XVGMNGXQPMEJCE-YTQUADARSA-N 0 3 318.505 3.750 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)C2CCCCC2)CC1 ZINC000511438722 340327378 /nfs/dbraw/zinc/32/73/78/340327378.db2.gz KFSQDNVHDPONIW-MRXNPFEDSA-N 0 3 321.509 3.637 20 30 DHEDHN N#Cc1csc(CN2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000511480076 340328057 /nfs/dbraw/zinc/32/80/57/340328057.db2.gz SUMNFBOBBDAJOR-INIZCTEOSA-N 0 3 300.402 3.966 20 30 DHEDHN C=C(C)CN(CCc1ccccc1F)Cc1ccc(CO)o1 ZINC000512179710 340351093 /nfs/dbraw/zinc/35/10/93/340351093.db2.gz MPDRSTNKFCXQHX-UHFFFAOYSA-N 0 3 303.377 3.532 20 30 DHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCCC[C@@H]1C ZINC000512621557 340369563 /nfs/dbraw/zinc/36/95/63/340369563.db2.gz ZGWWLJLOGRTABJ-ZNMIVQPWSA-N 0 3 303.425 3.611 20 30 DHEDHN COc1ccc(CCCN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512629177 340369815 /nfs/dbraw/zinc/36/98/15/340369815.db2.gz HSHDCANQELAXNJ-AWEZNQCLSA-N 0 3 312.388 3.989 20 30 DHEDHN C[C@H](COc1cccc(F)c1)N[C@H](C)c1ccc(C#N)cc1F ZINC000512634817 340370234 /nfs/dbraw/zinc/37/02/34/340370234.db2.gz FADHQRZTEBJJDJ-CHWSQXEVSA-N 0 3 316.351 3.955 20 30 DHEDHN C[C@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccc(C#N)cc1F ZINC000512640932 340370424 /nfs/dbraw/zinc/37/04/24/340370424.db2.gz BNKIEAAGHNLCLM-DZGCQCFKSA-N 0 3 302.393 3.840 20 30 DHEDHN C[C@@H](NCCc1c(F)cccc1F)c1ccc(C#N)cc1F ZINC000512642701 340370545 /nfs/dbraw/zinc/37/05/45/340370545.db2.gz RTYSUWKCDRPLAC-LLVKDONJSA-N 0 3 304.315 3.869 20 30 DHEDHN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)c1ccc(C#N)cc1F ZINC000512654127 340371232 /nfs/dbraw/zinc/37/12/32/340371232.db2.gz JKFHRTZHLLKLMZ-GDZNZVCISA-N 0 3 310.372 3.913 20 30 DHEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)Oc1ccc(F)cc1 ZINC000512662531 340371704 /nfs/dbraw/zinc/37/17/04/340371704.db2.gz YCYVFWMGSUSGRE-CHWSQXEVSA-N 0 3 316.351 3.955 20 30 DHEDHN C[C@@H](NCC1(CCO)CCCCC1)c1ccc(C#N)cc1F ZINC000305810806 340389621 /nfs/dbraw/zinc/38/96/21/340389621.db2.gz JAQZAHSVOSLXPD-CQSZACIVSA-N 0 3 304.409 3.681 20 30 DHEDHN CC(C)(C#N)CCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000174809988 340396512 /nfs/dbraw/zinc/39/65/12/340396512.db2.gz OIFAVYJHNXNMRF-UHFFFAOYSA-N 0 3 319.880 3.788 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CCC)CCCC)CC1 ZINC000175739899 340418603 /nfs/dbraw/zinc/41/86/03/340418603.db2.gz FWAQLHFINIHXED-MRXNPFEDSA-N 0 3 309.498 3.685 20 30 DHEDHN Cc1cc(C)cc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000538206082 340813131 /nfs/dbraw/zinc/81/31/31/340813131.db2.gz CTFUTHWTZHCYKL-HOTGVXAUSA-N 0 3 321.424 3.853 20 30 DHEDHN C=C(C)COCCN[C@@H](C)c1ccc(Br)c(F)c1 ZINC000539059409 340869148 /nfs/dbraw/zinc/86/91/48/340869148.db2.gz XGJUJUYHXFITGV-NSHDSACASA-N 0 3 316.214 3.832 20 30 DHEDHN Clc1ccc(C#CCN[C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000128574262 340898331 /nfs/dbraw/zinc/89/83/31/340898331.db2.gz AGLYOIFCFSXQLF-ZWKOTPCHSA-N 0 3 313.832 3.662 20 30 DHEDHN CN(C)[C@@H](CNCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000540624655 340939467 /nfs/dbraw/zinc/93/94/67/340939467.db2.gz LQRANTQTJWNQQO-INIZCTEOSA-N 0 3 319.861 3.666 20 30 DHEDHN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540705511 340942282 /nfs/dbraw/zinc/94/22/82/340942282.db2.gz LSFWFCPFSHLJMN-PNHOKKKMSA-N 0 3 323.415 3.793 20 30 DHEDHN C[C@@H](NCCOc1cccc(F)c1)c1ccc(C#N)c(F)c1 ZINC000540711029 340942729 /nfs/dbraw/zinc/94/27/29/340942729.db2.gz SCBRXHIHGOVHFB-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN Cc1nn(-c2ccccc2)c(C)c1CN1CCC(CC#N)CC1 ZINC000540994980 340954927 /nfs/dbraw/zinc/95/49/27/340954927.db2.gz MEXUQOPJKTXBDQ-UHFFFAOYSA-N 0 3 308.429 3.615 20 30 DHEDHN CCc1ccc([C@@H](CO)NCc2ccccc2C(C)(C)C#N)cc1 ZINC000541980514 340992099 /nfs/dbraw/zinc/99/20/99/340992099.db2.gz IBAZBSSQNYCDRQ-HXUWFJFHSA-N 0 3 322.452 3.873 20 30 DHEDHN Cc1ccccc1[C@H](CO)NCc1ccccc1C(C)(C)C#N ZINC000542910129 341025988 /nfs/dbraw/zinc/02/59/88/341025988.db2.gz DGXLGPOAGVHENV-IBGZPJMESA-N 0 3 308.425 3.619 20 30 DHEDHN C=C(C)CN(CC)Cc1cnc2c(C)cc(Br)cn12 ZINC000543397578 341042079 /nfs/dbraw/zinc/04/20/79/341042079.db2.gz VROJURSSRBFZAB-UHFFFAOYSA-N 0 3 322.250 3.803 20 30 DHEDHN N#CCC1CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000543780031 341058407 /nfs/dbraw/zinc/05/84/07/341058407.db2.gz LTWVUIIWITZGEV-UHFFFAOYSA-N 0 3 321.424 3.786 20 30 DHEDHN COc1ccc2oc(CN(C)Cc3ccc(C#N)cc3)cc2c1 ZINC000131208105 341065274 /nfs/dbraw/zinc/06/52/74/341065274.db2.gz ZZJJYJWGJOIWEN-UHFFFAOYSA-N 0 3 306.365 3.945 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2ccc(C)cc2)C1 ZINC000544191243 341073950 /nfs/dbraw/zinc/07/39/50/341073950.db2.gz XITQJNAWGRENEF-SFHVURJKSA-N 0 3 306.409 3.865 20 30 DHEDHN Cn1cc(CN2CCC(CC#N)CC2)c(C2CCCCC2)n1 ZINC000544370773 341078722 /nfs/dbraw/zinc/07/87/22/341078722.db2.gz LCKFFIPYEMZZEM-UHFFFAOYSA-N 0 3 300.450 3.593 20 30 DHEDHN C[C@H](NCC#Cc1ccc(F)cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000544514541 341084658 /nfs/dbraw/zinc/08/46/58/341084658.db2.gz ZQUSMMULAHIFHA-QEEYODRMSA-N 0 3 309.384 3.720 20 30 DHEDHN C[C@H](NCc1cccc(C#N)c1F)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000544515339 341084662 /nfs/dbraw/zinc/08/46/62/341084662.db2.gz WOSMHCSBPFRBAI-WTOJCKNJSA-N 0 3 310.372 3.740 20 30 DHEDHN CO[C@H](CNCc1cccc(OCCCC#N)c1)C(C)(C)C ZINC000072925185 341110895 /nfs/dbraw/zinc/11/08/95/341110895.db2.gz NLDRZUQMODJWKC-QGZVFWFLSA-N 0 3 304.434 3.520 20 30 DHEDHN N#Cc1cccc(CNCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000073458067 341116917 /nfs/dbraw/zinc/11/69/17/341116917.db2.gz HZJFKRZOMUZNBI-UHFFFAOYSA-N 0 3 320.314 3.789 20 30 DHEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000073618347 341119315 /nfs/dbraw/zinc/11/93/15/341119315.db2.gz HLKXUKNLBLKAFF-DOMZBBRYSA-N 0 3 319.836 3.661 20 30 DHEDHN Cc1c(Br)cccc1C(=O)C(C#N)c1ccccn1 ZINC000076824733 341214531 /nfs/dbraw/zinc/21/45/31/341214531.db2.gz ACFZZXUOLJWNLT-GFCCVEGCSA-N 0 3 315.170 3.643 20 30 DHEDHN C[C@H](CNCc1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000237536357 341215247 /nfs/dbraw/zinc/21/52/47/341215247.db2.gz JKWYOKTWYFPWQJ-CYBMUJFWSA-N 0 3 300.789 3.769 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCC(C)(C)C)CC1 ZINC000077663080 341228292 /nfs/dbraw/zinc/22/82/92/341228292.db2.gz VJWKYMLTXREPPD-OAHLLOKOSA-N 0 3 309.498 3.541 20 30 DHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCC(C)(C)C#N ZINC000547841206 341236910 /nfs/dbraw/zinc/23/69/10/341236910.db2.gz DYZKIFXYXLOAKZ-JYJNAYRXSA-N 0 3 320.477 3.901 20 30 DHEDHN C=CCN(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000564355388 341270797 /nfs/dbraw/zinc/27/07/97/341270797.db2.gz JUDAUEGAFVJXSD-OAQYLSRUSA-N 0 3 306.453 3.949 20 30 DHEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000081014684 341278005 /nfs/dbraw/zinc/27/80/05/341278005.db2.gz DZCAJTXOFFMNBE-FQEVSTJZSA-N 0 3 305.425 3.659 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550010374 341308737 /nfs/dbraw/zinc/30/87/37/341308737.db2.gz RUBWBVJHQLDDCE-GOSISDBHSA-N 0 3 312.800 3.865 20 30 DHEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC#Cc1ccccc1 ZINC000552057430 341365753 /nfs/dbraw/zinc/36/57/53/341365753.db2.gz ULUBVVCGZGVSRK-BHDDXSALSA-N 0 3 319.448 3.979 20 30 DHEDHN C=CCC[C@@H](NC[C@@H](CC(C)C)N1CCOCC1)c1ccco1 ZINC000552224238 341379329 /nfs/dbraw/zinc/37/93/29/341379329.db2.gz OVIFGATVYMMTDV-QZTJIDSGSA-N 0 3 320.477 3.623 20 30 DHEDHN N#CCCCCN[C@H]1CCc2c1c(Br)ccc2F ZINC000089701372 341407308 /nfs/dbraw/zinc/40/73/08/341407308.db2.gz CXQOEUMMFJWRBU-ZDUSSCGKSA-N 0 3 311.198 3.859 20 30 DHEDHN CC(C)C[C@@H](NCCOc1ccc(C#N)cc1)c1ccccn1 ZINC000090107275 341413525 /nfs/dbraw/zinc/41/35/25/341413525.db2.gz YSUDPLFGKIAGCG-LJQANCHMSA-N 0 3 309.413 3.709 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000555975988 341492084 /nfs/dbraw/zinc/49/20/84/341492084.db2.gz LIJIHGJGSJAUQN-HNNXBMFYSA-N 0 3 320.399 3.732 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](c1ccccc1)[C@H]1CCOC1)CC2 ZINC000564759550 341508650 /nfs/dbraw/zinc/50/86/50/341508650.db2.gz BFNJGSVZIBODLS-CEWLAPEOSA-N 0 3 318.420 3.913 20 30 DHEDHN CC[C@@](C)(COc1ncccc1Cl)NCc1ccc(C#N)o1 ZINC000158701722 523646357 /nfs/dbraw/zinc/64/63/57/523646357.db2.gz UESRGCYOBMDBTD-INIZCTEOSA-N 0 3 319.792 3.537 20 30 DHEDHN COc1ccccc1[C@H](CC(C)C)NCc1cc(C#N)n(C)c1 ZINC000191265149 524787823 /nfs/dbraw/zinc/78/78/23/524787823.db2.gz SONGEUJNNPTRTQ-SFHVURJKSA-N 0 3 311.429 3.782 20 30 DHEDHN Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000237731097 525268860 /nfs/dbraw/zinc/26/88/60/525268860.db2.gz BFWLXVDBJQBIDC-UHFFFAOYSA-N 0 3 305.425 3.943 20 30 DHEDHN C[C@@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000181867924 525417446 /nfs/dbraw/zinc/41/74/46/525417446.db2.gz SVUPEGSLKVTOQC-CYBMUJFWSA-N 0 3 317.433 3.512 20 30 DHEDHN COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(OC)c(C#N)c1 ZINC000266227196 525518336 /nfs/dbraw/zinc/51/83/36/525518336.db2.gz SOLWXIZJCKVISY-IBGZPJMESA-N 0 3 322.408 3.743 20 30 DHEDHN C[C@@H](NCc1cccc(-n2cccn2)c1)c1ccc(C#N)cc1 ZINC000338352156 525530162 /nfs/dbraw/zinc/53/01/62/525530162.db2.gz HIMUOUDYTUALGJ-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN C[C@H](N[C@@H]1c2ccccc2CC[C@H]1CO)c1ccc(C#N)cc1 ZINC000365104297 525594399 /nfs/dbraw/zinc/59/43/99/525594399.db2.gz HSOSXNYQSPLTBH-DCPHZVHLSA-N 0 3 306.409 3.505 20 30 DHEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000173480270 526584474 /nfs/dbraw/zinc/58/44/74/526584474.db2.gz YSDHMOOFQIOGON-RDJZCZTQSA-N 0 3 322.412 3.763 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H](COCc3ccccc3)C2)s1 ZINC000131186838 526615253 /nfs/dbraw/zinc/61/52/53/526615253.db2.gz XHBVLBQZORKJAQ-MRXNPFEDSA-N 0 3 312.438 3.658 20 30 DHEDHN C=CCC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734875 607390398 /nfs/dbraw/zinc/39/03/98/607390398.db2.gz WEIKJDQINBMMLN-SFHVURJKSA-N 0 3 319.412 3.664 20 30 DHEDHN C=CCC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734875 607390400 /nfs/dbraw/zinc/39/04/00/607390400.db2.gz WEIKJDQINBMMLN-SFHVURJKSA-N 0 3 319.412 3.664 20 30 DHEDHN C=CCOc1cccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)c1 ZINC000517824376 1013080762 /nfs/dbraw/zinc/08/07/62/1013080762.db2.gz SEZDRSWBXHRWAE-GOSISDBHSA-N 0 3 316.445 3.700 20 30 DHEDHN C#CCCCN1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001209266461 1013140765 /nfs/dbraw/zinc/14/07/65/1013140765.db2.gz ZRTVCHUANQDRPC-UHFFFAOYSA-N 0 3 311.256 3.524 20 30 DHEDHN C=CCCCCCCCCN1CCN(c2cncnc2)CC1 ZINC001209446415 1013295398 /nfs/dbraw/zinc/29/53/98/1013295398.db2.gz YHDDOBLTCFNVIG-UHFFFAOYSA-N 0 3 302.466 3.515 20 30 DHEDHN C[C@H](NCc1cc(C#N)cs1)[C@@H](O)c1c(F)cccc1Cl ZINC000748099026 1013310131 /nfs/dbraw/zinc/31/01/31/1013310131.db2.gz BQZCCBDNOHHDKD-BJOHPYRUSA-N 0 3 324.808 3.624 20 30 DHEDHN C=CCC[C@@H](C(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000275316505 1013330013 /nfs/dbraw/zinc/33/00/13/1013330013.db2.gz KLVCHWNNYZBLMX-QFBILLFUSA-N 0 3 312.457 3.503 20 30 DHEDHN C=CCCCN(CC)C(=O)c1cccc(CN2CCCC2)c1 ZINC000890814844 1013513461 /nfs/dbraw/zinc/51/34/61/1013513461.db2.gz JQEHIAPSPJPKJT-UHFFFAOYSA-N 0 3 300.446 3.711 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1C[C@@]1(C)Br ZINC000895018932 1013778038 /nfs/dbraw/zinc/77/80/38/1013778038.db2.gz VJZIAAKYJZTPSZ-KCPJHIHWSA-N 0 3 307.235 3.725 20 30 DHEDHN O=C(NC1CCN(C2CC2)CC1)c1coc(C2CCCCC2)n1 ZINC000328750183 1013795506 /nfs/dbraw/zinc/79/55/06/1013795506.db2.gz QKZMDFRQYBUJOY-UHFFFAOYSA-N 0 3 317.433 3.654 20 30 DHEDHN CCN1CCC[C@@H]1CNC(=O)c1coc(C2CCCCC2)n1 ZINC000328728922 1013797190 /nfs/dbraw/zinc/79/71/90/1013797190.db2.gz FETMGESDYXVKMG-CQSZACIVSA-N 0 3 305.422 3.511 20 30 DHEDHN CC[C@H](C)n1ncc(C(=O)NCCN2CCCC(C)(C)C2)c1C ZINC000330957424 1013849160 /nfs/dbraw/zinc/84/91/60/1013849160.db2.gz IFHRKOUFQWWUQB-AWEZNQCLSA-N 0 3 320.481 3.589 20 30 DHEDHN CC(C)[C@@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000610369638 1013998460 /nfs/dbraw/zinc/99/84/60/1013998460.db2.gz KSMCZYYXANOLQQ-MRXNPFEDSA-N 0 3 324.428 3.866 20 30 DHEDHN [O-]c1ccccc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177715803 1014040821 /nfs/dbraw/zinc/04/08/21/1014040821.db2.gz BEPGWBDNYWKRHL-UHFFFAOYSA-N 0 3 305.299 3.552 20 30 DHEDHN COc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000155756344 1014160953 /nfs/dbraw/zinc/16/09/53/1014160953.db2.gz ITSUUWXCBJYCEX-ZDUSSCGKSA-N 0 3 315.398 3.521 20 30 DHEDHN N#CC1(CCCCN2CCc3nc(C4CC4)ncc3C2)CCC1 ZINC000931259689 1032085328 /nfs/dbraw/zinc/08/53/28/1032085328.db2.gz PWSSYNPSZOHXAU-UHFFFAOYSA-N 0 3 310.445 3.576 20 30 DHEDHN CCc1cncc(C(=O)C(C#N)c2ccc3ccccc3n2)c1 ZINC000684012375 1014274394 /nfs/dbraw/zinc/27/43/94/1014274394.db2.gz ZTAUPVIJEWXGCT-MRXNPFEDSA-N 0 3 301.349 3.682 20 30 DHEDHN C=CCC[C@@H](N[C@H]1CCCN(C(C)C)C1=O)c1ccccc1 ZINC000684095245 1014402646 /nfs/dbraw/zinc/40/26/46/1014402646.db2.gz SMFALUUOHSJDSC-MSOLQXFVSA-N 0 3 300.446 3.683 20 30 DHEDHN C=CCOc1ccc(CN(C)Cc2ccc(O)cc2)cc1OC ZINC000349354885 1014406197 /nfs/dbraw/zinc/40/61/97/1014406197.db2.gz UPFZQKXAJFIRAL-UHFFFAOYSA-N 0 3 313.397 3.598 20 30 DHEDHN COc1ccc(CN(Cc2cccc(O)c2)CC2CC2)cc1C#N ZINC000135076775 1014481349 /nfs/dbraw/zinc/48/13/49/1014481349.db2.gz FVEQSOBVKYFVJN-UHFFFAOYSA-N 0 3 322.408 3.685 20 30 DHEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000156816377 1014560525 /nfs/dbraw/zinc/56/05/25/1014560525.db2.gz FQTNZJPSFPEBIU-WCQYABFASA-N 0 3 317.439 3.523 20 30 DHEDHN COc1ccccc1C1(CNC[C@@H](C#N)CCC#N)CCCC1 ZINC000521083818 1014639681 /nfs/dbraw/zinc/63/96/81/1014639681.db2.gz XEHCOPWLWFPDBG-MRXNPFEDSA-N 0 3 311.429 3.540 20 30 DHEDHN Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(OCC(F)(F)F)c1 ZINC000442795388 1014737652 /nfs/dbraw/zinc/73/76/52/1014737652.db2.gz UDJJAWRZNRKJIT-OCCSQVGLSA-N 0 3 312.335 3.718 20 30 DHEDHN CCc1nn(-c2ccccc2)c(CC)c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442864424 1014752021 /nfs/dbraw/zinc/75/20/21/1014752021.db2.gz ZJCQQWXNBGAIFS-HZPDHXFCSA-N 0 3 322.456 3.779 20 30 DHEDHN COc1ccc(CN(C)Cc2ccc(C#N)c(OC)c2)cc1C ZINC000442884223 1014760158 /nfs/dbraw/zinc/76/01/58/1014760158.db2.gz JRKDHDPHFIBTNI-UHFFFAOYSA-N 0 3 310.397 3.516 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(C)c(OC)c2)cc1 ZINC000177986198 1014770728 /nfs/dbraw/zinc/77/07/28/1014770728.db2.gz DVUYCQBWFFZGOV-INIZCTEOSA-N 0 3 309.409 3.866 20 30 DHEDHN C=CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000522083666 1014885892 /nfs/dbraw/zinc/88/58/92/1014885892.db2.gz JMKXYHAOPPFSJG-CVEARBPZSA-N 0 3 314.473 3.713 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](CC)c1ccc(Cl)cc1 ZINC000341208951 1015007025 /nfs/dbraw/zinc/00/70/25/1015007025.db2.gz FYWASSYOIWOTIK-RHSMWYFYSA-N 0 3 320.864 3.970 20 30 DHEDHN Cc1c(CNCc2cccc(C#N)c2)sc2nc(C)nc(C)c12 ZINC000727466359 1015078303 /nfs/dbraw/zinc/07/83/03/1015078303.db2.gz LBAYIHNVPXZLIS-UHFFFAOYSA-N 0 3 322.437 3.778 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\C2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000255362927 1015226024 /nfs/dbraw/zinc/22/60/24/1015226024.db2.gz ZDAWFNNGGBTFLD-UDKVOUEMSA-N 0 3 304.434 3.613 20 30 DHEDHN C=CCC1(O)CCN(Cc2ccc3nc(C)sc3c2)CC1 ZINC000895834006 1015327070 /nfs/dbraw/zinc/32/70/70/1015327070.db2.gz HBJUDYMTJVKLLY-UHFFFAOYSA-N 0 3 302.443 3.508 20 30 DHEDHN Cc1ccc(C2=NO[C@H](CN[C@@H](C)CC(C)(C)C#N)C2)cc1C ZINC000895976620 1015385707 /nfs/dbraw/zinc/38/57/07/1015385707.db2.gz IPNXHYVCIISJQH-RDJZCZTQSA-N 0 3 313.445 3.714 20 30 DHEDHN N#CCC[C@H](C#N)CNCCCO[C@@H]1CCCc2ccccc21 ZINC000581880044 1015414270 /nfs/dbraw/zinc/41/42/70/1015414270.db2.gz MZXQXBIGDSUYRH-VQIMIIECSA-N 0 3 311.429 3.504 20 30 DHEDHN COc1cc(F)cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341876453 1015784279 /nfs/dbraw/zinc/78/42/79/1015784279.db2.gz JVHZMPGEKQYOFH-LJQANCHMSA-N 0 3 310.372 3.873 20 30 DHEDHN C=CC[C@H](CC)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000281098556 1015831255 /nfs/dbraw/zinc/83/12/55/1015831255.db2.gz PUROAAMAMQIYTQ-ZDUSSCGKSA-N 0 3 300.402 3.579 20 30 DHEDHN CC(C)N(C)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000277017994 1015855697 /nfs/dbraw/zinc/85/56/97/1015855697.db2.gz JBWUDNJYWUABBP-HNNXBMFYSA-N 0 3 308.429 3.649 20 30 DHEDHN CC[C@@H]1CN(Cc2ccnc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000610993717 1015999214 /nfs/dbraw/zinc/99/92/14/1015999214.db2.gz DFNWSNRTWHVWBY-YLJYHZDGSA-N 0 3 305.425 3.969 20 30 DHEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000878384258 1033683876 /nfs/dbraw/zinc/68/38/76/1033683876.db2.gz AVSLCISGLGMDGI-NVXWUHKLSA-N 0 3 300.446 3.540 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC(C)(C)C)cc1 ZINC000121706677 1016141188 /nfs/dbraw/zinc/14/11/88/1016141188.db2.gz RFUOZHCOCITAMD-HNNXBMFYSA-N 0 3 300.402 3.723 20 30 DHEDHN COc1cccc([C@H](O)CN(CCCC#N)Cc2ccccc2)c1 ZINC000157898099 1016344105 /nfs/dbraw/zinc/34/41/05/1016344105.db2.gz SOYVGZJKLGBEDZ-HXUWFJFHSA-N 0 3 324.424 3.535 20 30 DHEDHN C=CCCn1cc(CNCC(C)(C)c2cccc(Cl)c2)nn1 ZINC000657337205 1016364534 /nfs/dbraw/zinc/36/45/34/1016364534.db2.gz MGQKANBHHYBRAY-UHFFFAOYSA-N 0 3 318.852 3.575 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000192599151 1016970020 /nfs/dbraw/zinc/97/00/20/1016970020.db2.gz AEZCIIOZZLTUPE-YJBOKZPZSA-N 0 3 300.446 3.540 20 30 DHEDHN Cc1cc(C#N)ccc1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000186162391 1017020440 /nfs/dbraw/zinc/02/04/40/1017020440.db2.gz CRPHVTCJLSLXKL-UHFFFAOYSA-N 0 3 304.393 3.862 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000523008297 1017055016 /nfs/dbraw/zinc/05/50/16/1017055016.db2.gz OHJSKHRTEPDKSX-INIZCTEOSA-N 0 3 308.853 3.805 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000523008298 1017052984 /nfs/dbraw/zinc/05/29/84/1017052984.db2.gz OHJSKHRTEPDKSX-MRXNPFEDSA-N 0 3 308.853 3.805 20 30 DHEDHN C#CCN(Cc1cc(Br)cc2cccnc21)C1CC1 ZINC000763955282 1017068471 /nfs/dbraw/zinc/06/84/71/1017068471.db2.gz LLPGYMANRFKEPP-UHFFFAOYSA-N 0 3 315.214 3.595 20 30 DHEDHN CCCN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)C ZINC000847025961 1032182040 /nfs/dbraw/zinc/18/20/40/1032182040.db2.gz KOYYFLBWOPOHJE-CYBMUJFWSA-N 0 3 315.442 3.593 20 30 DHEDHN C=CCCC1(CNC(=O)[C@H](C)N2CCCCCC2)CCCC1 ZINC001147172643 1032288361 /nfs/dbraw/zinc/28/83/61/1032288361.db2.gz UVCFSKQCZZYTGX-KRWDZBQOSA-N 0 3 306.494 3.894 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2csc3ccccc32)nc(C)n1 ZINC000075440581 1017303787 /nfs/dbraw/zinc/30/37/87/1017303787.db2.gz UVWWOFKUKNOOPP-ZDUSSCGKSA-N 0 3 307.378 3.798 20 30 DHEDHN C[C@@H]1[C@H](C)SCCN1Cc1cccc(OCCCC#N)c1 ZINC000093500300 1032540983 /nfs/dbraw/zinc/54/09/83/1032540983.db2.gz DEVUFLPVRYKPGN-CABCVRRESA-N 0 3 304.459 3.695 20 30 DHEDHN CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424119659 1011910547 /nfs/dbraw/zinc/91/05/47/1011910547.db2.gz GANALTHWXRIBNY-JKSUJKDBSA-N 0 3 321.852 3.517 20 30 DHEDHN CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@H](N)CCCC#N ZINC000424119658 1011912044 /nfs/dbraw/zinc/91/20/44/1011912044.db2.gz GANALTHWXRIBNY-HZPDHXFCSA-N 0 3 321.852 3.517 20 30 DHEDHN COC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000424329707 1011981902 /nfs/dbraw/zinc/98/19/02/1011981902.db2.gz PUCMWELSUOSBCD-GLQYFDAESA-N 0 3 312.335 3.675 20 30 DHEDHN N#CCC[C@@H](C#N)CNCCn1c2ccccc2c2ccccc21 ZINC000579767105 1012056155 /nfs/dbraw/zinc/05/61/55/1012056155.db2.gz BZIBXYPGOBCOQI-INIZCTEOSA-N 0 3 316.408 3.828 20 30 DHEDHN C=CCC1(NC(=O)Nc2cccc(CN(C)C)c2)CCCC1 ZINC000664404374 1012171755 /nfs/dbraw/zinc/17/17/55/1012171755.db2.gz VPPFZAYAXOQKOW-UHFFFAOYSA-N 0 3 301.434 3.759 20 30 DHEDHN N#Cc1ccccc1N1CCN(C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000513894143 1012217259 /nfs/dbraw/zinc/21/72/59/1012217259.db2.gz HRQATOLMHXJDLM-OAHLLOKOSA-N 0 3 319.399 3.506 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(F)F)cc2F)nc(C)n1 ZINC000654969952 1012219129 /nfs/dbraw/zinc/21/91/29/1012219129.db2.gz QJNUBIXAKITYDD-LBPRGKRZSA-N 0 3 319.286 3.660 20 30 DHEDHN CS[C@H](C)CCN1CCC(C#N)(c2ccccc2F)CC1 ZINC001208151063 1012252080 /nfs/dbraw/zinc/25/20/80/1012252080.db2.gz ITCHURQYTLTGNJ-CQSZACIVSA-N 0 3 306.450 3.824 20 30 DHEDHN CC(C)n1cc(CN2CCC(Cc3ccc(C#N)cc3)CC2)cn1 ZINC001137079426 1032628880 /nfs/dbraw/zinc/62/88/80/1032628880.db2.gz ITRNKTHXQHJCLQ-UHFFFAOYSA-N 0 3 322.456 3.790 20 30 DHEDHN C[C@H](CCC#N)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425506736 1012710967 /nfs/dbraw/zinc/71/09/67/1012710967.db2.gz LPBNACHLKZHZQV-CYBMUJFWSA-N 0 3 303.475 3.894 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOCCOc1ccccc1 ZINC000425536116 1012733921 /nfs/dbraw/zinc/73/39/21/1012733921.db2.gz OGTDBCCJGRBHNK-KRWDZBQOSA-N 0 3 324.424 3.647 20 30 DHEDHN C=C(C)[C@@H](NC[C@H](O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187791977 1012741142 /nfs/dbraw/zinc/74/11/42/1012741142.db2.gz GIUPIRVHQLUSKY-ZWKOTPCHSA-N 0 3 303.352 3.905 20 30 DHEDHN C#CCCCN[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000274883187 1012800998 /nfs/dbraw/zinc/80/09/98/1012800998.db2.gz NTLNKLJZDKLRFY-LJQANCHMSA-N 0 3 303.409 3.666 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2ccc3occ(C)c3c2)CC1 ZINC000187938006 1012809545 /nfs/dbraw/zinc/80/95/45/1012809545.db2.gz QSNRLIFDTQABQW-UHFFFAOYSA-N 0 3 313.401 3.513 20 30 DHEDHN CC[C@H](CC#N)NCC1(COc2cccc(COC)c2)CCC1 ZINC000516875930 1012850265 /nfs/dbraw/zinc/85/02/65/1012850265.db2.gz HRONLOTUDHHOOO-QGZVFWFLSA-N 0 3 316.445 3.664 20 30 DHEDHN N#Cc1ccc2ncc(CN[C@@H]3CCc4c3cccc4Cl)n2c1 ZINC000342735069 1017125260 /nfs/dbraw/zinc/12/52/60/1017125260.db2.gz WDLNJRZIYKGCDN-QGZVFWFLSA-N 0 3 322.799 3.636 20 30 DHEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000180038468 1017356945 /nfs/dbraw/zinc/35/69/45/1017356945.db2.gz WIHZPCUVJPDFRO-LJQANCHMSA-N 0 3 324.424 3.931 20 30 DHEDHN COc1ccccc1[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000121387280 1017409730 /nfs/dbraw/zinc/40/97/30/1017409730.db2.gz BORCYJAZUJFPPC-HNNXBMFYSA-N 0 3 310.372 3.695 20 30 DHEDHN CC(C)c1cccc(NC(=[NH2+])NCc2ccc([O-])c(F)c2)c1 ZINC000304749019 1017492577 /nfs/dbraw/zinc/49/25/77/1017492577.db2.gz HJFJDYKCZCAKDS-UHFFFAOYSA-N 0 3 301.365 3.582 20 30 DHEDHN CSc1ccc([C@@H](C)NCc2cnc3ccc(C#N)cn23)cc1 ZINC000342845354 1017564713 /nfs/dbraw/zinc/56/47/13/1017564713.db2.gz ISWQFIJWPYPSEA-CYBMUJFWSA-N 0 3 322.437 3.779 20 30 DHEDHN CCC[C@]1(C(=O)OCC)CCCN1CCCCC(C)(C)C#N ZINC000444774674 1017672298 /nfs/dbraw/zinc/67/22/98/1017672298.db2.gz KCXYOLJPZPRLKY-GOSISDBHSA-N 0 3 308.466 3.904 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000268790269 1017735551 /nfs/dbraw/zinc/73/55/51/1017735551.db2.gz ULNVBUJNYSOJKC-QGZVFWFLSA-N 0 3 310.397 3.816 20 30 DHEDHN N#CCCN(C1CCCC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171488428 1032728414 /nfs/dbraw/zinc/72/84/14/1032728414.db2.gz NKZDUSRKGQFYOE-INIZCTEOSA-N 0 3 304.384 3.980 20 30 DHEDHN CC(C)[C@H](C(=O)Nc1ccc2[nH]cnc2c1)N1CCCCC1 ZINC000329118186 1017952532 /nfs/dbraw/zinc/95/25/32/1017952532.db2.gz UVZKJBWKZGVHGS-MRXNPFEDSA-N 0 3 300.406 3.661 20 30 DHEDHN C=CC(C)(C)CC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC001128716585 1017980566 /nfs/dbraw/zinc/98/05/66/1017980566.db2.gz LRHMIGYMQZXZIA-WMZOPIPTSA-N 0 3 312.457 3.732 20 30 DHEDHN C[C@H](NCC#Cc1ccc(F)cc1)c1cccc(-n2cccn2)c1 ZINC000183572754 1018030262 /nfs/dbraw/zinc/03/02/62/1018030262.db2.gz NRYWRLLZBWSSCG-INIZCTEOSA-N 0 3 319.383 3.714 20 30 DHEDHN N#Cc1ccc2c(c1)CN([C@@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171476707 1032746113 /nfs/dbraw/zinc/74/61/13/1032746113.db2.gz ORORSZHHUMQOHJ-GOSISDBHSA-N 0 3 324.374 3.752 20 30 DHEDHN CC[C@@H](NCc1ccc(OCC2CC2)nc1)c1ccc(C#N)cc1 ZINC000278156455 1018227431 /nfs/dbraw/zinc/22/74/31/1018227431.db2.gz ANYULMDDLSCLSI-LJQANCHMSA-N 0 3 321.424 3.983 20 30 DHEDHN COCC1(C#N)CCN(c2c(C)cnc3c(C)cccc32)CC1 ZINC000343139912 1018245892 /nfs/dbraw/zinc/24/58/92/1018245892.db2.gz HVLRAMXRITVQSL-UHFFFAOYSA-N 0 3 309.413 3.608 20 30 DHEDHN C=CCCOCCN[C@@H]1CCc2sc(Br)cc21 ZINC000383326851 1018387758 /nfs/dbraw/zinc/38/77/58/1018387758.db2.gz UNOJNGXPZXPTHU-LLVKDONJSA-N 0 3 316.264 3.680 20 30 DHEDHN CCc1ccc([C@H](CO)N[C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000447574656 1018422189 /nfs/dbraw/zinc/42/21/89/1018422189.db2.gz OCVJFKWCRZRGSU-UXHICEINSA-N 0 3 308.425 3.895 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000765014018 1018447377 /nfs/dbraw/zinc/44/73/77/1018447377.db2.gz VMBOVSAFAMWGCM-CYBMUJFWSA-N 0 3 319.408 3.639 20 30 DHEDHN C[C@@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171593402 1032772755 /nfs/dbraw/zinc/77/27/55/1032772755.db2.gz MUKRKNHRCIXKEC-RRFJBIMHSA-N 0 3 323.481 3.692 20 30 DHEDHN COc1ccc([C@H]2CCCN2CCC(C)(C)C#N)c(OC)c1 ZINC000157461221 1018640143 /nfs/dbraw/zinc/64/01/43/1018640143.db2.gz UJCXIOPVCBLVRM-MRXNPFEDSA-N 0 3 302.418 3.781 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(C2CC2)C2CCCCC2)CC1 ZINC000675979823 1018641745 /nfs/dbraw/zinc/64/17/45/1018641745.db2.gz HVDIAEUBPFMJCI-UHFFFAOYSA-N 0 3 319.493 3.534 20 30 DHEDHN CN(C)Cc1ccccc1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000575039368 1018814340 /nfs/dbraw/zinc/81/43/40/1018814340.db2.gz BRTUABRYORVMPH-QGZVFWFLSA-N 0 3 321.424 3.774 20 30 DHEDHN N#CCCCCN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000338727852 1018866930 /nfs/dbraw/zinc/86/69/30/1018866930.db2.gz DPWAXBWSTQLABH-GOSISDBHSA-N 0 3 307.397 3.650 20 30 DHEDHN CC(C)(C)OC(=O)CC1(NCc2ccc(C#N)o2)CCCCC1 ZINC001171572911 1032791880 /nfs/dbraw/zinc/79/18/80/1032791880.db2.gz MXVGSCAHDJQSMT-UHFFFAOYSA-N 0 3 318.417 3.676 20 30 DHEDHN C[C@H](NCc1csc(C#N)c1)[C@@H](O)c1c(F)cccc1Cl ZINC000921806199 1018881817 /nfs/dbraw/zinc/88/18/17/1018881817.db2.gz JJUUPSSREUVQHL-BJOHPYRUSA-N 0 3 324.808 3.624 20 30 DHEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611804869 1018929045 /nfs/dbraw/zinc/92/90/45/1018929045.db2.gz GHZJGNGRCQLCJB-MGPUTAFESA-N 0 3 306.409 3.813 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(OC(C)C)nc1 ZINC000921540080 1018966806 /nfs/dbraw/zinc/96/68/06/1018966806.db2.gz JHLWECANMOOAJE-UHFFFAOYSA-N 0 3 309.413 3.647 20 30 DHEDHN CCCN(Cc1nc(C#N)cs1)[C@H]1CCc2ccccc2C1 ZINC000584144871 1018981011 /nfs/dbraw/zinc/98/10/11/1018981011.db2.gz RZZRRFIRBWNSKQ-KRWDZBQOSA-N 0 3 311.454 3.784 20 30 DHEDHN CCNC(=O)c1cccc(CN[C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000278741269 1019155112 /nfs/dbraw/zinc/15/51/12/1019155112.db2.gz NHXOCHXLMPPTCF-IBGZPJMESA-N 0 3 321.424 3.549 20 30 DHEDHN C=CCCN(CCOC)Cc1cc(Br)cs1 ZINC000338543778 1019169802 /nfs/dbraw/zinc/16/98/02/1019169802.db2.gz SCCQASGBQWPXCR-UHFFFAOYSA-N 0 3 304.253 3.535 20 30 DHEDHN N#Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)o1 ZINC000611252802 1019422165 /nfs/dbraw/zinc/42/21/65/1019422165.db2.gz UQVULUOGZDNWOI-UHFFFAOYSA-N 0 3 324.380 3.825 20 30 DHEDHN CN(Cc1ccc(C#N)o1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611266810 1019428363 /nfs/dbraw/zinc/42/83/63/1019428363.db2.gz PKJCIYNSLYLIDM-APWZRJJASA-N 0 3 310.397 3.751 20 30 DHEDHN N#CC(C(=O)CCCOc1ccc2c(c1)CCC2)c1ccccn1 ZINC000132202343 1019449105 /nfs/dbraw/zinc/44/91/05/1019449105.db2.gz LWIRSTVYXWOONV-GOSISDBHSA-N 0 3 320.392 3.606 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](CCO)c1ccccc1 ZINC000611393527 1019469017 /nfs/dbraw/zinc/46/90/17/1019469017.db2.gz VPSOHLWPPBFGGS-WOJBJXKFSA-N 0 3 306.409 3.649 20 30 DHEDHN N#Cc1cccc(NC(=O)CN[C@@H](CC2CC2)c2ccccc2)c1 ZINC000611395653 1019470862 /nfs/dbraw/zinc/47/08/62/1019470862.db2.gz MZGAVSCAMFBCRK-IBGZPJMESA-N 0 3 319.408 3.628 20 30 DHEDHN CN1Cc2ccccc2[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611394694 1019472024 /nfs/dbraw/zinc/47/20/24/1019472024.db2.gz WPZQDBQGRBBCAV-SFTDATJTSA-N 0 3 317.436 3.712 20 30 DHEDHN N#Cc1cc(CN[C@H]2c3ccccc3CC23CCOCC3)cs1 ZINC000922139658 1019508249 /nfs/dbraw/zinc/50/82/49/1019508249.db2.gz QEYXRRFNXNTAOW-SFHVURJKSA-N 0 3 324.449 3.804 20 30 DHEDHN CC1(C)CN(Cc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000078516765 1019521399 /nfs/dbraw/zinc/52/13/99/1019521399.db2.gz INRIFAOOPNAZBC-UHFFFAOYSA-N 0 3 319.452 3.655 20 30 DHEDHN N#CCCNC1CCC(c2ccc(Br)cc2)CC1 ZINC001171644696 1032838928 /nfs/dbraw/zinc/83/89/28/1032838928.db2.gz KLJNFVCGLLFCJN-UHFFFAOYSA-N 0 3 307.235 3.979 20 30 DHEDHN CCC[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000727830616 1019818234 /nfs/dbraw/zinc/81/82/34/1019818234.db2.gz DKRLALLZXDVLTH-UHFFFAOYSA-N 0 3 310.397 3.555 20 30 DHEDHN CCC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000727830616 1019818251 /nfs/dbraw/zinc/81/82/51/1019818251.db2.gz DKRLALLZXDVLTH-UHFFFAOYSA-N 0 3 310.397 3.555 20 30 DHEDHN N#CCOc1ccc(CN(Cc2cccc(F)c2)C2CC2)cc1 ZINC000731211256 1020080432 /nfs/dbraw/zinc/08/04/32/1020080432.db2.gz DBVJYSYWVFROSA-UHFFFAOYSA-N 0 3 310.372 3.893 20 30 DHEDHN C=CCOc1ccccc1CNCc1c(C)cc(CO)cc1C ZINC000922561355 1020125128 /nfs/dbraw/zinc/12/51/28/1020125128.db2.gz QWCAHKPDAMNWFG-UHFFFAOYSA-N 0 3 311.425 3.650 20 30 DHEDHN Cc1cc(C#N)ccc1CNC1(c2ccc(F)cc2)CCOCC1 ZINC000186290792 1020209214 /nfs/dbraw/zinc/20/92/14/1020209214.db2.gz JDIVGKZYIZLCLW-UHFFFAOYSA-N 0 3 324.399 3.801 20 30 DHEDHN COC(=O)[C@@H](C)[C@@H](NCc1ccc(C#N)cc1C)c1ccccc1 ZINC000186304333 1020225809 /nfs/dbraw/zinc/22/58/09/1020225809.db2.gz SNDUJPBPYNESFF-HNAYVOBHSA-N 0 3 322.408 3.507 20 30 DHEDHN CCOCc1cc(CNCc2ccc(C)c(C#N)c2)ccc1OC ZINC000922759373 1020252805 /nfs/dbraw/zinc/25/28/05/1020252805.db2.gz PLRMGHLMQSYERD-UHFFFAOYSA-N 0 3 324.424 3.702 20 30 DHEDHN Cc1nc2ccc(Nc3cccc(C#CC(C)(C)O)c3)cc2[nH]1 ZINC001213076054 1032886791 /nfs/dbraw/zinc/88/67/91/1032886791.db2.gz CIVKQSAOMDPCET-UHFFFAOYSA-N 0 3 305.381 3.737 20 30 DHEDHN N#CC1(c2ccccc2)CCN([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171791875 1032888676 /nfs/dbraw/zinc/88/86/76/1032888676.db2.gz CUSXUOZWNCNJNM-SFHVURJKSA-N 0 3 320.411 3.850 20 30 DHEDHN N#Cc1cccc(CN2CCC(OCc3ccccc3)CC2)c1 ZINC000280868106 1020313589 /nfs/dbraw/zinc/31/35/89/1020313589.db2.gz NNIARDWXIVDRAN-UHFFFAOYSA-N 0 3 306.409 3.739 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(C(C)(C)O)cc2)cc1 ZINC000186612386 1020342993 /nfs/dbraw/zinc/34/29/93/1020342993.db2.gz SABICDOBXPZKEW-INIZCTEOSA-N 0 3 323.436 3.777 20 30 DHEDHN C#Cc1cccc(NC(=S)Nc2ccc(C)cc2CN(C)C)c1 ZINC000733750814 1020438776 /nfs/dbraw/zinc/43/87/76/1020438776.db2.gz BGIVAWZQZBCMBY-UHFFFAOYSA-N 0 3 323.465 3.847 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccccc2N(C)C)c1 ZINC000733801102 1020446078 /nfs/dbraw/zinc/44/60/78/1020446078.db2.gz SDNJDISSQCOUMD-GOSISDBHSA-N 0 3 323.440 3.723 20 30 DHEDHN CC[C@@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171838369 1032902393 /nfs/dbraw/zinc/90/23/93/1032902393.db2.gz WRTICHOYEVLGFL-GJZGRUSLSA-N 0 3 321.465 3.590 20 30 DHEDHN C=CCOCCCN(C)Cc1cc(Br)cs1 ZINC000347962090 1020466727 /nfs/dbraw/zinc/46/67/27/1020466727.db2.gz HXCRPHLSXBOERT-UHFFFAOYSA-N 0 3 304.253 3.535 20 30 DHEDHN CN(C)C[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000282596973 1020474122 /nfs/dbraw/zinc/47/41/22/1020474122.db2.gz CQHRTMUXBRXSLC-SFHVURJKSA-N 0 3 313.832 3.604 20 30 DHEDHN CN(C)[C@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000255850779 1020478778 /nfs/dbraw/zinc/47/87/78/1020478778.db2.gz VGLKDRHXCNCRFH-UOIFGXKSSA-N 0 3 319.408 3.662 20 30 DHEDHN C=CCOCCCN1CCC[C@H]1c1nc2ccccc2n1CC ZINC000348057885 1020499025 /nfs/dbraw/zinc/49/90/25/1020499025.db2.gz UPYVKDYOUIXWKB-SFHVURJKSA-N 0 3 313.445 3.786 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccc(OCC#N)cc1 ZINC000921693088 1020499228 /nfs/dbraw/zinc/49/92/28/1020499228.db2.gz IAKZXBBGFSPFNS-GJZGRUSLSA-N 0 3 322.408 3.763 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccc(OCC#N)cc1 ZINC000921693081 1020499471 /nfs/dbraw/zinc/49/94/71/1020499471.db2.gz IAKZXBBGFSPFNS-CABCVRRESA-N 0 3 322.408 3.763 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C)co2)cc1 ZINC000892490241 1020525169 /nfs/dbraw/zinc/52/51/69/1020525169.db2.gz RAQBKSUCAYAQAP-INIZCTEOSA-N 0 3 324.380 3.892 20 30 DHEDHN CCC(C)(C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000733996514 1020542270 /nfs/dbraw/zinc/54/22/70/1020542270.db2.gz LBWUYMWCKDURFK-LBPRGKRZSA-N 0 3 315.442 3.593 20 30 DHEDHN CCCCCCC[C@@H](C)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000734269351 1020578723 /nfs/dbraw/zinc/57/87/23/1020578723.db2.gz IBNVLDTVKSWUCG-CVEARBPZSA-N 0 3 309.498 3.519 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@H](CCCCC)C(C)(C)C)CC1 ZINC000734669181 1020645638 /nfs/dbraw/zinc/64/56/38/1020645638.db2.gz NKVLNLDWPAKGOQ-QGZVFWFLSA-N 0 3 323.525 3.931 20 30 DHEDHN CCn1nc(C)c(C(=O)C(C#N)c2ccc3ccccc3n2)c1C ZINC000589019092 1020759718 /nfs/dbraw/zinc/75/97/18/1020759718.db2.gz KDSIRJZXQBOGFL-OAHLLOKOSA-N 0 3 318.380 3.558 20 30 DHEDHN COc1ccc(F)cc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000613292770 1020892479 /nfs/dbraw/zinc/89/24/79/1020892479.db2.gz WNYKJBBVSRPTOV-HNNXBMFYSA-N 0 3 320.323 3.873 20 30 DHEDHN C[C@]1(c2ccccc2)C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000892552666 1020984244 /nfs/dbraw/zinc/98/42/44/1020984244.db2.gz CFKMGDXKHLQGKU-AUSJPIAWSA-N 0 3 316.360 3.982 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC[C@H](SC)C2)c([O-])c1 ZINC000743043045 1021208239 /nfs/dbraw/zinc/20/82/39/1021208239.db2.gz PZCJMJTTXBSKBP-RPFWMUAPSA-N 0 3 306.475 3.941 20 30 DHEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)CCC(C)C)cc1 ZINC000917170596 1021208806 /nfs/dbraw/zinc/20/88/06/1021208806.db2.gz OZCAGYKHLJQHSL-KRWDZBQOSA-N 0 3 315.461 3.608 20 30 DHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C1(N)CC2(CCC2)C1 ZINC000659249766 1021289668 /nfs/dbraw/zinc/28/96/68/1021289668.db2.gz LMDHGNFDUSUSNP-UHFFFAOYSA-N 0 3 324.877 3.578 20 30 DHEDHN O=[N+]([O-])c1ccc(NN=Cc2ccc(N3CCCCC3)o2)cc1 ZINC000917564098 1021297910 /nfs/dbraw/zinc/29/79/10/1021297910.db2.gz VNZNTNGMUDIVCR-UHFFFAOYSA-N 0 3 314.345 3.624 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000743497395 1021307083 /nfs/dbraw/zinc/30/70/83/1021307083.db2.gz YCZAAQCRLUYQNS-GJZGRUSLSA-N 0 3 305.381 3.700 20 30 DHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000189585546 1021378043 /nfs/dbraw/zinc/37/80/43/1021378043.db2.gz MSOCGVMXLNWBTM-LLVKDONJSA-N 0 3 307.319 3.766 20 30 DHEDHN C#Cc1cccc(NC(=O)CN(C)[C@H](C)CCc2ccccc2)c1 ZINC000917829850 1021378682 /nfs/dbraw/zinc/37/86/82/1021378682.db2.gz BILYQOXNCGSEHZ-QGZVFWFLSA-N 0 3 320.436 3.560 20 30 DHEDHN CCOc1ccc(CNCc2ccc(OCC#N)cc2)c(C)c1 ZINC000850121832 1021423913 /nfs/dbraw/zinc/42/39/13/1021423913.db2.gz YWBFKPCJGKJRIZ-UHFFFAOYSA-N 0 3 310.397 3.586 20 30 DHEDHN C#CC[C@H](NCc1ccc(O[C@@H](C)COC)cc1)c1ccccc1 ZINC000850225959 1021444778 /nfs/dbraw/zinc/44/47/78/1021444778.db2.gz IRFZRCIQXXKWTC-UWJYYQICSA-N 0 3 323.436 3.955 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618801673 1021519836 /nfs/dbraw/zinc/51/98/36/1021519836.db2.gz BNQIZQVEUOKGRG-RNODOKPDSA-N 0 3 319.408 3.855 20 30 DHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)COC2 ZINC000618805345 1021532085 /nfs/dbraw/zinc/53/20/85/1021532085.db2.gz NTJJRCJNUZGQQX-RBZFPXEDSA-N 0 3 304.393 3.927 20 30 DHEDHN Cc1nn(C(C)(C)C)c(C)c1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618831325 1021538501 /nfs/dbraw/zinc/53/85/01/1021538501.db2.gz KFHBWPQIRZHXNW-IBGZPJMESA-N 0 3 322.456 3.904 20 30 DHEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@]1(C)CCCO1 ZINC000556119045 1021542519 /nfs/dbraw/zinc/54/25/19/1021542519.db2.gz ZMPZCBRSUBZNPV-BBRMVZONSA-N 0 3 311.347 3.604 20 30 DHEDHN C[C@H](N[C@H]1CCc2ccc(O)cc21)c1ccc(OCC#N)cc1 ZINC000850543251 1021594953 /nfs/dbraw/zinc/59/49/53/1021594953.db2.gz GVFYTKBPIZTWNW-DJJJIMSYSA-N 0 3 308.381 3.633 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2cccc(OC)c2C)cc1 ZINC000850578522 1021618615 /nfs/dbraw/zinc/61/86/15/1021618615.db2.gz MPRXYYYSWWXDHQ-INIZCTEOSA-N 0 3 309.409 3.866 20 30 DHEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1CC2(C1)CCCCC2 ZINC000850758513 1021642379 /nfs/dbraw/zinc/64/23/79/1021642379.db2.gz AHJXOCYLUKCXOT-MRXNPFEDSA-N 0 3 310.397 3.694 20 30 DHEDHN CCCCCCC[C@H](C)CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000745704555 1021769888 /nfs/dbraw/zinc/76/98/88/1021769888.db2.gz KOCKNDRDIVNOKY-ZWKOTPCHSA-N 0 3 321.509 3.639 20 30 DHEDHN COc1cc2c(cc1F)CC[C@H]2N[C@@H]1CCc2cc(C#N)ccc21 ZINC000619611441 1021807923 /nfs/dbraw/zinc/80/79/23/1021807923.db2.gz WDSNOFLQPLQBOQ-RTBURBONSA-N 0 3 322.383 3.970 20 30 DHEDHN C[C@H]1c2c(F)cccc2CCN1CCCC1(C#N)CCOCC1 ZINC000619620395 1021812799 /nfs/dbraw/zinc/81/27/99/1021812799.db2.gz DIIURSWLBRGIQW-HNNXBMFYSA-N 0 3 316.420 3.845 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1 ZINC000745975751 1021815893 /nfs/dbraw/zinc/81/58/93/1021815893.db2.gz APMVYHBKKNHFIX-LJBWOGQWSA-N 0 3 318.461 3.861 20 30 DHEDHN C[C@H](NCc1ccc(-c2cnn(C)c2)s1)c1cccc(C#N)c1 ZINC000619747694 1021882427 /nfs/dbraw/zinc/88/24/27/1021882427.db2.gz VLYFOZHKZOBPTL-ZDUSSCGKSA-N 0 3 322.437 3.871 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000153195237 1022010106 /nfs/dbraw/zinc/01/01/06/1022010106.db2.gz VLZCDSSIOFFYOY-LPHOPBHVSA-N 0 3 312.457 3.534 20 30 DHEDHN N#CCOc1ccc(CN[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000183210254 1022036216 /nfs/dbraw/zinc/03/62/16/1022036216.db2.gz IIBMTGJNNVQMFD-LJQANCHMSA-N 0 3 310.372 3.895 20 30 DHEDHN CC[C@H](/[NH+]=C/c1ccc(N(CC)CC)cc1[O-])C1CCOCC1 ZINC000746393878 1022058979 /nfs/dbraw/zinc/05/89/79/1022058979.db2.gz LXFMRSYRUATEDW-OFBHVFLISA-N 0 3 318.461 3.863 20 30 DHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cn(Cc2ccccc2)nn1 ZINC000852303476 1022102961 /nfs/dbraw/zinc/10/29/61/1022102961.db2.gz QIKFYOQDXZSBHX-HKUYNNGSSA-N 0 3 310.445 3.551 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc2ccccc2c1CN(C)C ZINC000620310226 1022119703 /nfs/dbraw/zinc/11/97/03/1022119703.db2.gz JLRZUOCAZDYEJF-GASCZTMLSA-N 0 3 324.424 3.818 20 30 DHEDHN CC[C@H](C#N)OC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000181578806 1022226468 /nfs/dbraw/zinc/22/64/68/1022226468.db2.gz PYDYBRNGMWNAHM-LJQANCHMSA-N 0 3 322.408 3.778 20 30 DHEDHN COc1ccc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000609822901 1022360291 /nfs/dbraw/zinc/36/02/91/1022360291.db2.gz QJAGGJKWBIGKAF-AWEZNQCLSA-N 0 3 310.397 3.768 20 30 DHEDHN N#Cc1ccc(F)c(CN2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000609916553 1022381926 /nfs/dbraw/zinc/38/19/26/1022381926.db2.gz XPDFYGRKSKBWSA-INIZCTEOSA-N 0 3 312.363 3.901 20 30 DHEDHN Cc1csc(C(C#N)C(=O)Nc2cccc3ccccc32)n1 ZINC000155399581 1022398005 /nfs/dbraw/zinc/39/80/05/1022398005.db2.gz XOSIFJUXRVEYTP-AWEZNQCLSA-N 0 3 307.378 3.851 20 30 DHEDHN C=CCOc1ccccc1[C@@H](C)N[C@@H](C)CC(=O)N(CC)CC ZINC001169448686 1022410861 /nfs/dbraw/zinc/41/08/61/1022410861.db2.gz KYQCDPRTRPFLSP-JKSUJKDBSA-N 0 3 318.461 3.549 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001169540646 1022444267 /nfs/dbraw/zinc/44/42/67/1022444267.db2.gz NPRBDHBBXMFLRT-ILZDJORESA-N 0 3 314.473 3.616 20 30 DHEDHN CCN(Cc1cccc2nccn21)[C@H](C)c1ccc(C#N)cc1 ZINC000179722559 1022514020 /nfs/dbraw/zinc/51/40/20/1022514020.db2.gz VWEIKCZADZCTNE-OAHLLOKOSA-N 0 3 304.397 3.789 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(OC(C)C)cc2)cc1 ZINC000113320075 1022628908 /nfs/dbraw/zinc/62/89/08/1022628908.db2.gz XCUFWDLNWZKKLL-UHFFFAOYSA-N 0 3 309.409 3.776 20 30 DHEDHN C#CCOc1ccc(CNC(C)(C)c2ccccc2OC)cc1 ZINC000113335096 1022636566 /nfs/dbraw/zinc/63/65/66/1022636566.db2.gz WGADHPWWDQXOIC-UHFFFAOYSA-N 0 3 309.409 3.732 20 30 DHEDHN C=C[C@@H](CC(=O)NCCN(C)Cc1ccccc1)c1ccccc1 ZINC000158970188 1022678910 /nfs/dbraw/zinc/67/89/10/1022678910.db2.gz LZNCOOSBNVPPBF-IBGZPJMESA-N 0 3 322.452 3.595 20 30 DHEDHN Cc1ccc(N2CCN([C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172307573 1033077099 /nfs/dbraw/zinc/07/70/99/1033077099.db2.gz GDSVCALEKXXZLC-GOSISDBHSA-N 0 3 319.452 3.620 20 30 DHEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cn2)C12CCCCC2 ZINC000584756941 1022710961 /nfs/dbraw/zinc/71/09/61/1022710961.db2.gz DVKYPZNFWCIXKS-ROUUACIJSA-N 0 3 313.445 3.513 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001172313181 1033081748 /nfs/dbraw/zinc/08/17/48/1033081748.db2.gz QXGQZRYMFKCDHO-XGHQBKJUSA-N 0 3 320.436 3.951 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)N1CCC(=O)[C@@H](C)C12CCCC2 ZINC001172317794 1033084633 /nfs/dbraw/zinc/08/46/33/1033084633.db2.gz UQDOQNHUMYAPQG-JKSUJKDBSA-N 0 3 310.441 3.713 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000925644006 1022935239 /nfs/dbraw/zinc/93/52/39/1022935239.db2.gz LKVXSQSNVBIULU-RISCZKNCSA-N 0 3 314.351 3.657 20 30 DHEDHN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccc1C#N ZINC000418150088 1022979211 /nfs/dbraw/zinc/97/92/11/1022979211.db2.gz VWTUZBRYEKJNAO-HXUWFJFHSA-N 0 3 301.393 3.906 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000876585615 1033098316 /nfs/dbraw/zinc/09/83/16/1033098316.db2.gz PTXOLQRWLNWGFP-GFCCVEGCSA-N 0 3 317.216 3.536 20 30 DHEDHN CC(C)(C#N)CCCN1CCN(Cc2ccccc2Cl)CC1 ZINC000165793374 1022996532 /nfs/dbraw/zinc/99/65/32/1022996532.db2.gz HIWKUZZNOMTAOO-UHFFFAOYSA-N 0 3 319.880 3.788 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000876595065 1033101334 /nfs/dbraw/zinc/10/13/34/1033101334.db2.gz ZMMDHQAUNYUHMQ-CQSZACIVSA-N 0 3 315.244 3.547 20 30 DHEDHN C#CCN(Cc1cnc(-c2ccncc2)s1)C1CCCCC1 ZINC000769146062 1023089357 /nfs/dbraw/zinc/08/93/57/1023089357.db2.gz MYYKEPMLIDBTIL-UHFFFAOYSA-N 0 3 311.454 3.973 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1cccs1)C(CC)CC ZINC000876614801 1033107268 /nfs/dbraw/zinc/10/72/68/1033107268.db2.gz PFGCOEVBSUXSDF-OCCSQVGLSA-N 0 3 314.882 3.812 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000876650295 1033115948 /nfs/dbraw/zinc/11/59/48/1033115948.db2.gz ANHCXKQGNPLQMG-CMPLNLGQSA-N 0 3 308.834 3.548 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000876672473 1033119396 /nfs/dbraw/zinc/11/93/96/1033119396.db2.gz DJDGFQJUIKIBKE-XOKHGSTOSA-N 0 3 320.864 3.765 20 30 DHEDHN CCCCCCC[C@H](CC)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172362155 1033140872 /nfs/dbraw/zinc/14/08/72/1033140872.db2.gz SSSCEZFJDHUBFV-JKSUJKDBSA-N 0 3 303.512 3.635 20 30 DHEDHN C=CCc1cc(OC)cc(CN2CC(C)(C)OC(C)(C)C2)c1O ZINC000785512303 1023586012 /nfs/dbraw/zinc/58/60/12/1023586012.db2.gz CTZPASDGFAETFO-UHFFFAOYSA-N 0 3 319.445 3.519 20 30 DHEDHN N#CCC1CCN(Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000893489195 1023692785 /nfs/dbraw/zinc/69/27/85/1023692785.db2.gz YTTLWFVAMGAOSF-UHFFFAOYSA-N 0 3 307.397 4.000 20 30 DHEDHN CCCC(C)(C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000786511344 1023706310 /nfs/dbraw/zinc/70/63/10/1023706310.db2.gz BXXCTWDIZFMVLI-INIZCTEOSA-N 0 3 314.429 3.570 20 30 DHEDHN C=CCN(CC(=O)N(C)Cc1ccc(Cl)s1)C(C)(C)C ZINC000661754719 1023729292 /nfs/dbraw/zinc/72/92/92/1023729292.db2.gz BWBHBAPIEBBJDX-UHFFFAOYSA-N 0 3 314.882 3.646 20 30 DHEDHN N#Cc1ccc(CNc2cc(CN3CCCCC3)ccn2)cc1F ZINC001170089034 1023927633 /nfs/dbraw/zinc/92/76/33/1023927633.db2.gz CLGDIPATLREASN-UHFFFAOYSA-N 0 3 324.403 3.690 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(Cl)nc2)cc1 ZINC000788973043 1023956989 /nfs/dbraw/zinc/95/69/89/1023956989.db2.gz LRQGSZPVKNPTJV-CYBMUJFWSA-N 0 3 300.789 3.598 20 30 DHEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CCCCC1 ZINC000452119852 1023971055 /nfs/dbraw/zinc/97/10/55/1023971055.db2.gz HTEIFLCDNFBNPB-FGTMMUONSA-N 0 3 318.505 3.702 20 30 DHEDHN Cn1cccc1[C@@H]1CCCCN1Cc1ccc(OCC#N)cc1 ZINC000266930432 1024046607 /nfs/dbraw/zinc/04/66/07/1024046607.db2.gz LYMQFQIAVUGQKG-IBGZPJMESA-N 0 3 309.413 3.655 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCC2(c3ccccc3)CCC2)c1 ZINC000876919272 1033184682 /nfs/dbraw/zinc/18/46/82/1033184682.db2.gz RYSLGIAWGQRTFD-UHFFFAOYSA-N 0 3 311.816 3.818 20 30 DHEDHN CCc1ccc([C@H](O)CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000789372303 1024065637 /nfs/dbraw/zinc/06/56/37/1024065637.db2.gz WQUXFBCUJTYWAT-BFUOFWGJSA-N 0 3 312.388 3.644 20 30 DHEDHN CCc1ccc(-c2noc([C@@H](C)NC[C@H](C)CCC#N)n2)cc1 ZINC000602643012 1024162341 /nfs/dbraw/zinc/16/23/41/1024162341.db2.gz KPTKGXWHGWICAJ-ZIAGYGMSSA-N 0 3 312.417 3.889 20 30 DHEDHN C=CCN(CC1CCCCC1)C(=O)c1cc2c(s1)CCNC2 ZINC000662457785 1024190944 /nfs/dbraw/zinc/19/09/44/1024190944.db2.gz RKVRWGXWNAQTAE-UHFFFAOYSA-N 0 3 318.486 3.602 20 30 DHEDHN C=CCc1cc(CNC2(c3ccccc3)CC2)cc(OC)c1O ZINC000264936437 1033200047 /nfs/dbraw/zinc/20/00/47/1033200047.db2.gz DGJVGVJVNYVTRM-UHFFFAOYSA-N 0 3 309.409 3.908 20 30 DHEDHN C=CCC[C@@H](COc1ccccc1)N[C@@H](C)c1nccnc1C ZINC000883244702 1024316662 /nfs/dbraw/zinc/31/66/62/1024316662.db2.gz UPEMIPLWQJAWOA-IRXDYDNUSA-N 0 3 311.429 3.849 20 30 DHEDHN CC1(c2ccccc2)CC(NCc2cc(C#N)cnc2Cl)C1 ZINC000877008833 1033205436 /nfs/dbraw/zinc/20/54/36/1033205436.db2.gz AKICAWRSUBMKJC-UHFFFAOYSA-N 0 3 311.816 3.817 20 30 DHEDHN C[C@H](NCc1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000314996345 1024422250 /nfs/dbraw/zinc/42/22/50/1024422250.db2.gz QXXXKVJYBDISTI-LBPRGKRZSA-N 0 3 302.324 3.718 20 30 DHEDHN CCn1cc([C@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000453353500 1024478540 /nfs/dbraw/zinc/47/85/40/1024478540.db2.gz ICVRSANWKSZQSP-IFXJQAMLSA-N 0 3 308.429 3.893 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000106324738 1024601214 /nfs/dbraw/zinc/60/12/14/1024601214.db2.gz WCBYKNQXYIGYBK-UHFFFAOYSA-N 0 3 323.387 3.786 20 30 DHEDHN C[C@H](CCCC#N)N[C@@H](CO)c1ccc(Cl)cc1Cl ZINC001172489895 1033222793 /nfs/dbraw/zinc/22/27/93/1033222793.db2.gz SBGXJECHABARCK-YGRLFVJLSA-N 0 3 301.217 3.699 20 30 DHEDHN Cc1ccc(CC[C@H](C)NCc2cc(C#N)cnc2Cl)o1 ZINC000877067144 1033225181 /nfs/dbraw/zinc/22/51/81/1033225181.db2.gz YVVFBSPMNZKEIM-NSHDSACASA-N 0 3 303.793 3.619 20 30 DHEDHN C[C@@H](CCCC#N)N1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001172498338 1033229843 /nfs/dbraw/zinc/22/98/43/1033229843.db2.gz LTLHCXOLNSANSV-SOUVJXGZSA-N 0 3 306.413 3.599 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N2CCN3CCCC[C@@H]3C2)CC1 ZINC001170387661 1024761447 /nfs/dbraw/zinc/76/14/47/1024761447.db2.gz ZFZODEDTCBERIB-NYLDSWQDSA-N 0 3 323.484 3.561 20 30 DHEDHN COc1cccc([C@@H]2CSCCN2[C@H](C)CCCC#N)c1 ZINC001172509657 1033238887 /nfs/dbraw/zinc/23/88/87/1033238887.db2.gz NJJIPURCQSMHEU-PBHICJAKSA-N 0 3 304.459 3.867 20 30 DHEDHN C[C@H](CCC#N)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000350733141 1024846192 /nfs/dbraw/zinc/84/61/92/1024846192.db2.gz XQVFZXONWRFXQD-ZBFHGGJFSA-N 0 3 315.465 3.724 20 30 DHEDHN C[C@@H]1CC[C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000119222011 1024954134 /nfs/dbraw/zinc/95/41/34/1024954134.db2.gz YNNPBOKGUUXWOT-IOASZLSFSA-N 0 3 310.401 3.523 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccccc1NC(C)=O ZINC000119274407 1024963510 /nfs/dbraw/zinc/96/35/10/1024963510.db2.gz LAIXOCHZEDTACT-UHFFFAOYSA-N 0 3 321.424 3.929 20 30 DHEDHN CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1c(C)nn(C)c1C ZINC000353266984 1025008827 /nfs/dbraw/zinc/00/88/27/1025008827.db2.gz KHYIYTWRGQGVKX-QZTJIDSGSA-N 0 3 308.429 3.637 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H](CCCO)c1ccccc1)CC2 ZINC000353265507 1025009409 /nfs/dbraw/zinc/00/94/09/1025009409.db2.gz YOMATVLAAOUEEL-PMACEKPBSA-N 0 3 306.409 3.649 20 30 DHEDHN CC[C@@H](Cc1ccc2c(c1)OCO2)NC1(CC#N)CCCC1 ZINC001170432610 1025060831 /nfs/dbraw/zinc/06/08/31/1025060831.db2.gz UEPSSWDQMAYGOR-HNNXBMFYSA-N 0 3 300.402 3.552 20 30 DHEDHN CCC[C@@H](NCc1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000279574419 1025077504 /nfs/dbraw/zinc/07/75/04/1025077504.db2.gz AXNCGBMBFSBGNG-RTBURBONSA-N 0 3 312.388 3.689 20 30 DHEDHN CCCCN(CCC#N)[C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170443676 1025238613 /nfs/dbraw/zinc/23/86/13/1025238613.db2.gz RAJGSOACJVFGOV-MRXNPFEDSA-N 0 3 302.418 3.752 20 30 DHEDHN COc1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1O ZINC000353913733 1025287481 /nfs/dbraw/zinc/28/74/81/1025287481.db2.gz IYVCMIZSFYNXOP-KRWDZBQOSA-N 0 3 310.397 3.926 20 30 DHEDHN N#CCCC[C@H](NCc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000353915929 1025290519 /nfs/dbraw/zinc/29/05/19/1025290519.db2.gz OQHXSKGVOOMGOM-AWEZNQCLSA-N 0 3 322.334 3.953 20 30 DHEDHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C[C@H](O)CC1(C#N)CCC1 ZINC001168234048 1025359927 /nfs/dbraw/zinc/35/99/27/1025359927.db2.gz JSUFHLDJUONOJJ-CKEIUWERSA-N 0 3 316.420 3.578 20 30 DHEDHN C[C@H](c1ccccc1Cl)N(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885960858 1025420190 /nfs/dbraw/zinc/42/01/90/1025420190.db2.gz QQCOVOIVBDCYGO-KGLIPLIRSA-N 0 3 306.837 3.778 20 30 DHEDHN CCOc1cc2c(cc1OCC)CN(CCCCC#N)CC2 ZINC000057623593 1025561762 /nfs/dbraw/zinc/56/17/62/1025561762.db2.gz YQNZNWNKUKZCJY-UHFFFAOYSA-N 0 3 302.418 3.536 20 30 DHEDHN CC[C@H](SC)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000747233169 1025562231 /nfs/dbraw/zinc/56/22/31/1025562231.db2.gz HZYQQYLBVXSGJI-ONGXEEELSA-N 0 3 308.403 3.753 20 30 DHEDHN CCN(Cc1ccc2oc(=O)oc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000893950828 1025622095 /nfs/dbraw/zinc/62/20/95/1025622095.db2.gz BZAYXOMHLYGURA-ZDUSSCGKSA-N 0 3 322.364 3.841 20 30 DHEDHN Cc1csc(C(C#N)C(=O)CSc2cccc(C)c2)n1 ZINC000067008737 1025634894 /nfs/dbraw/zinc/63/48/94/1025634894.db2.gz QNHTUJFFIGZHQA-CYBMUJFWSA-N 0 3 302.424 3.729 20 30 DHEDHN CC(C)(C)CCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000805854551 1025691421 /nfs/dbraw/zinc/69/14/21/1025691421.db2.gz XBRVBHRIEMIAOD-INIZCTEOSA-N 0 3 314.429 3.618 20 30 DHEDHN C#CCCCCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805911261 1025706680 /nfs/dbraw/zinc/70/66/80/1025706680.db2.gz DPFTYTBUVAAANM-UHFFFAOYSA-N 0 3 313.441 3.635 20 30 DHEDHN COc1ccc(CN(Cc2ccc(C#N)cn2)C(C)(C)C)cc1 ZINC000573694924 1025741461 /nfs/dbraw/zinc/74/14/61/1025741461.db2.gz HWFZVYPFTPIIPU-UHFFFAOYSA-N 0 3 309.413 3.763 20 30 DHEDHN CCc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000236923326 1025743992 /nfs/dbraw/zinc/74/39/92/1025743992.db2.gz OJXMYHJOKHJVKV-ZDUSSCGKSA-N 0 3 300.427 3.891 20 30 DHEDHN CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000075636791 1025848440 /nfs/dbraw/zinc/84/84/40/1025848440.db2.gz XRLJXDKHAHUFBM-UHFFFAOYSA-N 0 3 310.401 3.763 20 30 DHEDHN CC(C)CN(Cc1ccnc(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000614217129 1025921782 /nfs/dbraw/zinc/92/17/82/1025921782.db2.gz IHTVHMKXEAIUOK-LJQANCHMSA-N 0 3 320.440 3.884 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H]([C@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000886816214 1025938231 /nfs/dbraw/zinc/93/82/31/1025938231.db2.gz PIOJQKTTYNDKNM-GDBMZVCRSA-N 0 3 324.346 3.578 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000729685510 1025952473 /nfs/dbraw/zinc/95/24/73/1025952473.db2.gz FKNKXOGIEFSACU-AWEZNQCLSA-N 0 3 310.372 3.895 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000128937547 1026133431 /nfs/dbraw/zinc/13/34/31/1026133431.db2.gz BEOOLXGYOHUMCK-YLJYHZDGSA-N 0 3 322.452 3.641 20 30 DHEDHN CC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CC1(C)C ZINC000419318644 1026147841 /nfs/dbraw/zinc/14/78/41/1026147841.db2.gz NXBGXNPBOCTTCV-LSDHHAIUSA-N 0 3 310.401 3.523 20 30 DHEDHN CC(=NN[C@H]1CCSC1)c1ccc(N2CCCCCC2)cc1 ZINC000808004198 1026174427 /nfs/dbraw/zinc/17/44/27/1026174427.db2.gz IGBJATHFVLTYTF-KRWDZBQOSA-N 0 3 317.502 3.886 20 30 DHEDHN N#Cc1ccc(-c2ccn(CN3CCC[C@@H](C4CC4)C3)n2)cc1 ZINC000808230523 1026237607 /nfs/dbraw/zinc/23/76/07/1026237607.db2.gz JUIXMWLZDYMTBM-GOSISDBHSA-N 0 3 306.413 3.501 20 30 DHEDHN C#CC[C@@H](NCc1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000808400647 1026281005 /nfs/dbraw/zinc/28/10/05/1026281005.db2.gz SXPDWZHSBNPMTH-GOSISDBHSA-N 0 3 309.409 3.866 20 30 DHEDHN C#C[C@H](CC)NCc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000809685757 1026593283 /nfs/dbraw/zinc/59/32/83/1026593283.db2.gz PTCCXYGAFMFPEP-CYBMUJFWSA-N 0 3 315.335 3.528 20 30 DHEDHN CCN(Cc1ccc(O[C@H](C)C#N)cc1)[C@H](C)c1cccnc1 ZINC000809763995 1026621365 /nfs/dbraw/zinc/62/13/65/1026621365.db2.gz BWUPJGBKLWCWPF-HZPDHXFCSA-N 0 3 309.413 3.956 20 30 DHEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000809779922 1026622451 /nfs/dbraw/zinc/62/24/51/1026622451.db2.gz FCPDBTFNFONGHV-HNNXBMFYSA-N 0 3 309.409 3.844 20 30 DHEDHN C#C[C@H](NCc1c[nH]nc1-c1cccc(Cl)c1)C(C)(C)C ZINC000809781263 1026622702 /nfs/dbraw/zinc/62/27/02/1026622702.db2.gz MJYCUQMJNQUERX-HNNXBMFYSA-N 0 3 301.821 3.868 20 30 DHEDHN CC#CCN[C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000810133535 1026685310 /nfs/dbraw/zinc/68/53/10/1026685310.db2.gz IXJPDRZVFCCSQX-QGZVFWFLSA-N 0 3 316.445 3.646 20 30 DHEDHN C=CCCCCCCCNCc1c(Br)cnn1C ZINC000810160759 1026697762 /nfs/dbraw/zinc/69/77/62/1026697762.db2.gz SEPKOLVMKNMZBA-UHFFFAOYSA-N 0 3 314.271 3.799 20 30 DHEDHN C=CCSc1ccccc1C(=O)NC[C@@H]1CCCCN1CC ZINC000362390425 1027182746 /nfs/dbraw/zinc/18/27/46/1027182746.db2.gz SMXPMSCFMBJPNU-HNNXBMFYSA-N 0 3 318.486 3.569 20 30 DHEDHN C=C(C)c1ccc(-n2c(-c3ccccc3)cnc2[C@H](C)N)nc1 ZINC001170680956 1027324795 /nfs/dbraw/zinc/32/47/95/1027324795.db2.gz JOPQEUORWYQFJY-AWEZNQCLSA-N 0 3 304.397 3.987 20 30 DHEDHN C#C[C@H](N[C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(F)cc1 ZINC000812792595 1027400803 /nfs/dbraw/zinc/40/08/03/1027400803.db2.gz DWOAUUIBVYDAEO-NDXORKPFSA-N 0 3 322.427 3.925 20 30 DHEDHN N#CCC1(CN[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000932205698 1027413760 /nfs/dbraw/zinc/41/37/60/1027413760.db2.gz PZUOPWCOILNIGJ-ZDUSSCGKSA-N 0 3 321.218 3.556 20 30 DHEDHN CCN(CC#Cc1ccc(F)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849606 1027445918 /nfs/dbraw/zinc/44/59/18/1027445918.db2.gz OSCRPMFIEHLUKA-OXJNMPFZSA-N 0 3 311.400 3.621 20 30 DHEDHN CCN(Cc1ccc(C#N)c(C)c1)Cc1ccc(OC)c(OC)c1 ZINC000362956776 1027463057 /nfs/dbraw/zinc/46/30/57/1027463057.db2.gz CZEKNZXWOLOEFQ-UHFFFAOYSA-N 0 3 324.424 3.906 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCCC[C@@H]1CCCCO1 ZINC000778176452 1027752202 /nfs/dbraw/zinc/75/22/02/1027752202.db2.gz GBDXLYUWXSDTPF-HNNXBMFYSA-N 0 3 321.848 3.791 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](C)c1ccncc1 ZINC000778176370 1027774759 /nfs/dbraw/zinc/77/47/59/1027774759.db2.gz IPMMHYZWHXBLGH-CQSZACIVSA-N 0 3 314.816 3.640 20 30 DHEDHN C=CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000600683166 1027782666 /nfs/dbraw/zinc/78/26/66/1027782666.db2.gz OFRWAZKUGPCJFD-KGLIPLIRSA-N 0 3 320.864 3.804 20 30 DHEDHN Cn1cc([C@H]2CSCCCN2CCCCC(C)(C)C#N)cn1 ZINC000933977510 1027874499 /nfs/dbraw/zinc/87/44/99/1027874499.db2.gz FKUMFNBNTCCIKL-MRXNPFEDSA-N 0 3 320.506 3.620 20 30 DHEDHN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(C#N)c(Cl)c1 ZINC000601280620 1028057516 /nfs/dbraw/zinc/05/75/16/1028057516.db2.gz QLZFWDMNFVVVLK-SFHVURJKSA-N 0 3 312.800 3.997 20 30 DHEDHN COc1ccc([C@@H](N[C@@H](C)c2cccc(C#N)c2)C2CC2)cn1 ZINC000528042228 1028058825 /nfs/dbraw/zinc/05/88/25/1028058825.db2.gz DSBYNOQYLGXPEO-DJJJIMSYSA-N 0 3 307.397 3.764 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc2cccnc2o1 ZINC000563592425 1028113865 /nfs/dbraw/zinc/11/38/65/1028113865.db2.gz JYZONZRCLPEXMH-GOSISDBHSA-N 0 3 303.365 3.867 20 30 DHEDHN CC(C)(C#N)CCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000563726504 1028181176 /nfs/dbraw/zinc/18/11/76/1028181176.db2.gz PDVQPHQOSRSGDU-UHFFFAOYSA-N 0 3 307.825 3.518 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)c1ccccc1C ZINC000159750795 1028206117 /nfs/dbraw/zinc/20/61/17/1028206117.db2.gz JRKKRJBTYJILGR-FQEVSTJZSA-N 0 3 306.409 3.588 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000187721448 1028474960 /nfs/dbraw/zinc/47/49/60/1028474960.db2.gz WXXWTASOGSRQOV-KUHUBIRLSA-N 0 3 310.372 3.912 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cccc([C@@H](C)CC)c2)CC1 ZINC000626649429 1028631395 /nfs/dbraw/zinc/63/13/95/1028631395.db2.gz BAVVBWWAGOVWHZ-HNNXBMFYSA-N 0 3 315.461 3.972 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)cc1 ZINC000815909923 1028646337 /nfs/dbraw/zinc/64/63/37/1028646337.db2.gz LBGSKBJLHKTRCG-CJNGLKHVSA-N 0 3 323.396 3.541 20 30 DHEDHN C[C@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)C(C)(F)F ZINC000815922478 1028651827 /nfs/dbraw/zinc/65/18/27/1028651827.db2.gz PUAWMOWDHDVVDH-KOLCDFICSA-N 0 3 321.352 3.673 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000565965190 1028658390 /nfs/dbraw/zinc/65/83/90/1028658390.db2.gz RJVRCXXEZFUGSY-CZUORRHYSA-N 0 3 308.853 3.661 20 30 DHEDHN C[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C(C)(F)F ZINC000815941592 1028659769 /nfs/dbraw/zinc/65/97/69/1028659769.db2.gz HQJPUURIBOFOEX-CBAPKCEASA-N 0 3 312.316 3.903 20 30 DHEDHN COc1cc2c(cc1OC)[C@H](C)N(CCCC#N)C[C@@H](C)C2 ZINC000371361410 1028695274 /nfs/dbraw/zinc/69/52/74/1028695274.db2.gz RLODBWXZRZMAFD-KBPBESRZSA-N 0 3 302.418 3.563 20 30 DHEDHN COc1cccc(CCC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000041542578 1028745756 /nfs/dbraw/zinc/74/57/56/1028745756.db2.gz OCMRNDQBBJUMCK-HNNXBMFYSA-N 0 3 320.348 3.645 20 30 DHEDHN N#CC(C(=O)C[C@@H]1C=CCC1)c1nc2ccccc2n1C(F)F ZINC000041558119 1028752952 /nfs/dbraw/zinc/75/29/52/1028752952.db2.gz FIJFCIUQSGGRMJ-NEPJUHHUSA-N 0 3 315.323 3.964 20 30 DHEDHN N#CCC[C@@H](C#N)CNCC1(c2ccc(Cl)cc2)CCC1 ZINC000566909354 1028801062 /nfs/dbraw/zinc/80/10/62/1028801062.db2.gz BXRGUMJWBHHWQN-AWEZNQCLSA-N 0 3 301.821 3.795 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@H](O)CC(C)(C)C2)cc1Cl ZINC000449619740 1028855104 /nfs/dbraw/zinc/85/51/04/1028855104.db2.gz QOCGZISCOXANHQ-HNNXBMFYSA-N 0 3 323.864 3.888 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](CC)c1ccc(OC)cc1 ZINC000119456175 1028923115 /nfs/dbraw/zinc/92/31/15/1028923115.db2.gz LMQQJAMWAUUNCP-YJBOKZPZSA-N 0 3 318.461 3.549 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3c3ccsc3)nc21 ZINC000528953531 1028964217 /nfs/dbraw/zinc/96/42/17/1028964217.db2.gz LFAFWWCFBSIAEZ-BFHYXJOUSA-N 0 3 321.405 3.913 20 30 DHEDHN C=CC[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000628493929 1029080699 /nfs/dbraw/zinc/08/06/99/1029080699.db2.gz ZWPHYJCVHMLQFV-QGZVFWFLSA-N 0 3 312.457 3.711 20 30 DHEDHN C=C(C)CN1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000373982407 1029179440 /nfs/dbraw/zinc/17/94/40/1029179440.db2.gz XOTUDWRJZCTDQL-INIZCTEOSA-N 0 3 304.821 3.664 20 30 DHEDHN C=CCCCCN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000570277701 1029341544 /nfs/dbraw/zinc/34/15/44/1029341544.db2.gz UEBUOCKZGAQQOI-AWEZNQCLSA-N 0 3 324.350 3.859 20 30 DHEDHN C=CCC1(C(=O)Nc2ccc(CN(C)C)cc2F)CCCC1 ZINC000412570808 1029472621 /nfs/dbraw/zinc/47/26/21/1029472621.db2.gz IXFOQWHAAMADPG-UHFFFAOYSA-N 0 3 304.409 3.962 20 30 DHEDHN N#Cc1cc(Cl)ccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450862283 1029712006 /nfs/dbraw/zinc/71/20/06/1029712006.db2.gz OZDRFYYDHYGSTG-BRWVUGGUSA-N 0 3 316.832 3.649 20 30 DHEDHN N#CCCOCCN1CCc2ccc(-c3ccccc3)cc2C1 ZINC000451158384 1029805734 /nfs/dbraw/zinc/80/57/34/1029805734.db2.gz KLFYDTROMCPVAQ-UHFFFAOYSA-N 0 3 306.409 3.642 20 30 DHEDHN Cc1ccnc(CNCC2CCC(C#N)CC2)c1Br ZINC000865551810 1029914237 /nfs/dbraw/zinc/91/42/37/1029914237.db2.gz JGCJQDARGAWDCG-UHFFFAOYSA-N 0 3 322.250 3.572 20 30 DHEDHN Cc1ccnc(CNCC(C)(C)CCC#N)c1Br ZINC000865571765 1029920878 /nfs/dbraw/zinc/92/08/78/1029920878.db2.gz VPLYZLQBOFFLCU-UHFFFAOYSA-N 0 3 310.239 3.572 20 30 DHEDHN Cc1scc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1C ZINC000865680249 1029973995 /nfs/dbraw/zinc/97/39/95/1029973995.db2.gz USBNBXCXTFUUNY-LBPRGKRZSA-N 0 3 300.427 3.946 20 30 DHEDHN Cc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1[N+](=O)[O-] ZINC000865787909 1030025472 /nfs/dbraw/zinc/02/54/72/1030025472.db2.gz VGSNMODWIMJDEI-UHFFFAOYSA-N 0 3 323.396 3.994 20 30 DHEDHN C=CC[C@@H]1CC[C@@H](NCc2ncc(Br)s2)C1 ZINC000865850073 1030058504 /nfs/dbraw/zinc/05/85/04/1030058504.db2.gz UFLCHUQGODVVJW-NXEZZACHSA-N 0 3 301.253 3.740 20 30 DHEDHN CCC(C)(C)N(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000357755760 1030175159 /nfs/dbraw/zinc/17/51/59/1030175159.db2.gz KHIPXYVPDCADCR-UHFFFAOYSA-N 0 3 315.461 3.671 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000924847884 1030202684 /nfs/dbraw/zinc/20/26/84/1030202684.db2.gz FXGYVHMPOOQHPB-XYPHTWIQSA-N 0 3 304.409 3.964 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN(C)[C@H](C)C(C)C ZINC000533247396 1030221791 /nfs/dbraw/zinc/22/17/91/1030221791.db2.gz BRQQRAQKHZQAPZ-CQSZACIVSA-N 0 3 306.475 3.880 20 30 DHEDHN C#Cc1cccc(CN[C@@H]2CCCOc3c(OC)cccc32)c1 ZINC000866370471 1030262167 /nfs/dbraw/zinc/26/21/67/1030262167.db2.gz WVGWFFRWGDJABQ-GOSISDBHSA-N 0 3 307.393 3.680 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000533436714 1030354186 /nfs/dbraw/zinc/35/41/86/1030354186.db2.gz OFRHMAIHGDCVLF-CYBMUJFWSA-N 0 3 324.852 3.882 20 30 DHEDHN Cc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1[N+](=O)[O-] ZINC000866540870 1030363286 /nfs/dbraw/zinc/36/32/86/1030363286.db2.gz SJLYOLODQXFOIZ-KRWDZBQOSA-N 0 3 307.353 3.552 20 30 DHEDHN CC[C@@H](CNCc1ccc(C#N)cc1F)Oc1cccc(C)c1 ZINC000533446171 1030367041 /nfs/dbraw/zinc/36/70/41/1030367041.db2.gz NOWXFRATCJVRTN-KRWDZBQOSA-N 0 3 312.388 3.953 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(Br)cn1 ZINC000926336728 1030704372 /nfs/dbraw/zinc/70/43/72/1030704372.db2.gz HHDOVHCWCHSFMI-MNOVXSKESA-N 0 3 310.239 3.823 20 30 DHEDHN Cc1noc(C)c1[C@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000179225228 1030879882 /nfs/dbraw/zinc/87/98/82/1030879882.db2.gz KHTNZHQAGUHJFF-MFKMUULPSA-N 0 3 323.352 3.803 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(OC(F)F)cc1F ZINC000926802778 1030937498 /nfs/dbraw/zinc/93/74/98/1030937498.db2.gz YOMXNDFKBSCRGL-SNVBAGLBSA-N 0 3 300.324 3.845 20 30 DHEDHN CN(Cc1cccc(C(F)F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370795 1031071292 /nfs/dbraw/zinc/07/12/92/1031071292.db2.gz JLQUOTQSPHPFEF-QGZVFWFLSA-N 0 3 316.351 3.661 20 30 DHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000292635657 1031108961 /nfs/dbraw/zinc/10/89/61/1031108961.db2.gz HBSSMFPOJQVZOZ-LJQANCHMSA-N 0 3 306.409 3.552 20 30 DHEDHN C=CCCn1cc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)nn1 ZINC000653712467 1031169395 /nfs/dbraw/zinc/16/93/95/1031169395.db2.gz GLJVJJFQCFWMJV-GPMSIDNRSA-N 0 3 310.445 3.621 20 30 DHEDHN C[C@@H]1OC2(CCN(Cc3cncc(C#N)c3)CC2)c2ccccc21 ZINC001144086587 1031221013 /nfs/dbraw/zinc/22/10/13/1031221013.db2.gz VHPBWIGFQYDQNM-HNNXBMFYSA-N 0 3 319.408 3.536 20 30 DHEDHN C=CCc1cc(CN2CC[C@H]2Cc2ccccc2)cc(OC)c1O ZINC000536663920 1031372098 /nfs/dbraw/zinc/37/20/98/1031372098.db2.gz WTLATJRWZIDVJD-IBGZPJMESA-N 0 3 323.436 3.946 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872076470 1031471886 /nfs/dbraw/zinc/47/18/86/1031471886.db2.gz LUFQHOIIOFVVJF-DFBGVHRSSA-N 0 3 322.430 3.701 20 30 DHEDHN C=CC(C)(C)CCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000872100056 1031492808 /nfs/dbraw/zinc/49/28/08/1031492808.db2.gz GQMHNSIZBPKTLS-OAHLLOKOSA-N 0 3 302.397 3.615 20 30 DHEDHN COc1ccc([C@H](NCC#Cc2ccc(F)cc2)C2CC2)cc1 ZINC000537289654 1031553127 /nfs/dbraw/zinc/55/31/27/1031553127.db2.gz JKESGWHALUIWQL-HXUWFJFHSA-N 0 3 309.384 3.927 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CNCc1cc(Cl)cc(Cl)c1F ZINC000872234874 1031558411 /nfs/dbraw/zinc/55/84/11/1031558411.db2.gz IZJUKZAHTPZCOI-LLVKDONJSA-N 0 3 319.207 3.523 20 30 DHEDHN CCC(CC)(NC[C@H](O)CC#N)c1ccc(Cl)c(Cl)c1 ZINC000929969276 1031663176 /nfs/dbraw/zinc/66/31/76/1031663176.db2.gz KOAPKQOXCDACNR-GFCCVEGCSA-N 0 3 315.244 3.873 20 30 DHEDHN N#Cc1ccc(CNC[C@@H](O)c2ccc3ccccc3c2)c(F)c1 ZINC000772930520 1031695581 /nfs/dbraw/zinc/69/55/81/1031695581.db2.gz XVYKTMYGZQFFQD-HXUWFJFHSA-N 0 3 320.367 3.674 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001144580506 1031717910 /nfs/dbraw/zinc/71/79/10/1031717910.db2.gz FCNLNCFDRLFRNB-OAQYLSRUSA-N 0 3 316.404 3.583 20 30 DHEDHN C#Cc1ccc(CN2CC=C(c3ccc(OC)cc3)CC2)cc1 ZINC001144578324 1031718273 /nfs/dbraw/zinc/71/82/73/1031718273.db2.gz AJSHGLCDZBPBKO-UHFFFAOYSA-N 0 3 303.405 3.966 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873990 1031747149 /nfs/dbraw/zinc/74/71/49/1031747149.db2.gz FSFSYVIVKMXNPU-ZOWXZIJZSA-N 0 3 309.337 3.678 20 30 DHEDHN Cc1cccnc1[C@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000897630092 1031756889 /nfs/dbraw/zinc/75/68/89/1031756889.db2.gz QRYLMSHEYATGGL-UONOGXRCSA-N 0 3 312.442 3.534 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001171210943 1031857048 /nfs/dbraw/zinc/85/70/48/1031857048.db2.gz XTEZTQHAFLKTEL-IUODEOHRSA-N 0 3 314.326 3.713 20 30 DHEDHN CC[C@](O)(CN[C@@H](CCCC#N)c1ccccc1)C(F)(F)F ZINC000930571920 1031872359 /nfs/dbraw/zinc/87/23/59/1031872359.db2.gz ZUZWTCGTCPLQLE-GJZGRUSLSA-N 0 3 314.351 3.715 20 30 DHEDHN C#C[C@](C)(CC)NCc1cncc(-c2cc(F)ccc2OC)c1 ZINC000930599631 1031884340 /nfs/dbraw/zinc/88/43/40/1031884340.db2.gz BWOOJBBLOQMYIE-LJQANCHMSA-N 0 3 312.388 3.788 20 30 DHEDHN N#CC(C(=O)c1cccc2cnccc21)c1cnc2ccccc2n1 ZINC000361529643 1031972364 /nfs/dbraw/zinc/97/23/64/1031972364.db2.gz GCHHRNQTHJYDEL-MRXNPFEDSA-N 0 3 324.343 3.668 20 30 DHEDHN C=CCCCN(CC)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000898244995 1031999343 /nfs/dbraw/zinc/99/93/43/1031999343.db2.gz UCHPWWQLGMFDDA-UHFFFAOYSA-N 0 3 320.437 3.612 20 30 DHEDHN CCOC(=O)C1(C#N)CCN(C2CCC3(CCCC3)CC2)CC1 ZINC001172730710 1033333164 /nfs/dbraw/zinc/33/31/64/1033333164.db2.gz OMPSOXIUAGUECL-UHFFFAOYSA-N 0 3 318.461 3.658 20 30 DHEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CSc3ccccc32)c1 ZINC000877558113 1033356921 /nfs/dbraw/zinc/35/69/21/1033356921.db2.gz XAVSDMQTRYIBOM-ZDUSSCGKSA-N 0 3 315.829 3.586 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1CCC(C(C)C)CC1)c1ccccc1 ZINC000878134092 1033591282 /nfs/dbraw/zinc/59/12/82/1033591282.db2.gz PADKGHDFLMZKSL-HXUWFJFHSA-N 0 3 312.457 3.795 20 30 DHEDHN N#CCC1CCC(N(Cc2cccnc2)Cc2cccnc2)CC1 ZINC001173335666 1033692177 /nfs/dbraw/zinc/69/21/77/1033692177.db2.gz UPIWPYVCXWUNMZ-UHFFFAOYSA-N 0 3 320.440 3.951 20 30 DHEDHN C=CCC1(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CCC1 ZINC000479628798 1033838371 /nfs/dbraw/zinc/83/83/71/1033838371.db2.gz YMYHVEXWADPBJR-SJLPKXTDSA-N 0 3 312.457 3.685 20 30 DHEDHN CCN(CCC#N)C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173789501 1033867689 /nfs/dbraw/zinc/86/76/89/1033867689.db2.gz JMBJYGAEMBMNIZ-UHFFFAOYSA-N 0 3 314.429 3.874 20 30 DHEDHN CCCOCc1ccccc1CNCc1ccc(OC)c(C#N)c1 ZINC000174278848 1033919352 /nfs/dbraw/zinc/91/93/52/1033919352.db2.gz DWTDKCNENNTZHF-UHFFFAOYSA-N 0 3 324.424 3.783 20 30 DHEDHN FC(F)(F)c1cc(N=NC2CCCN3CCCC[C@H]23)ccn1 ZINC000863178749 1034014068 /nfs/dbraw/zinc/01/40/68/1034014068.db2.gz DICSYOCPPBSBJI-CYBMUJFWSA-N 0 3 312.339 3.517 20 30 DHEDHN C[C@H]1CN(CCCCC(C)(C)C#N)CC[C@@H](C(F)(F)F)O1 ZINC000880066526 1034200663 /nfs/dbraw/zinc/20/06/63/1034200663.db2.gz HUXMVTNNHZWNOS-STQMWFEESA-N 0 3 306.372 3.748 20 30 DHEDHN N#CCc1ccc(NC2=CCCN(Cc3ccccc3)C2)cc1 ZINC001174397068 1034326948 /nfs/dbraw/zinc/32/69/48/1034326948.db2.gz MCNSYVWDMMGIQQ-UHFFFAOYSA-N 0 3 303.409 3.954 20 30 DHEDHN C[C@@H](NCCOCCC#N)c1ccccc1OCc1ccccc1 ZINC000339070973 1034438892 /nfs/dbraw/zinc/43/88/92/1034438892.db2.gz PVQAEVBLYJUWEU-QGZVFWFLSA-N 0 3 324.424 3.846 20 30 DHEDHN CC[C@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1Br ZINC000481116939 1034590697 /nfs/dbraw/zinc/59/06/97/1034590697.db2.gz MXJKVPDELXQQCW-FZMZJTMJSA-N 0 3 307.235 3.941 20 30 DHEDHN C=CCOCCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000555380803 1034667162 /nfs/dbraw/zinc/66/71/62/1034667162.db2.gz KWWLJKQHEVHQQM-CYBMUJFWSA-N 0 3 316.228 3.649 20 30 DHEDHN N#CC(C(=O)C[C@@H]1CCC(F)(F)C1)c1nc2ccccc2[nH]1 ZINC000797939320 1034757971 /nfs/dbraw/zinc/75/79/71/1034757971.db2.gz WEHBGFFTEYRDGG-WDEREUQCSA-N 0 3 303.312 3.565 20 30 DHEDHN N#Cc1ccc(F)cc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175505851 1035015046 /nfs/dbraw/zinc/01/50/46/1035015046.db2.gz IVIONCCOJUUTOH-UHFFFAOYSA-N 0 3 307.372 3.899 20 30 DHEDHN N#Cc1ccc(F)c(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175506111 1035017198 /nfs/dbraw/zinc/01/71/98/1035017198.db2.gz PEJURCOJKNQDHR-UHFFFAOYSA-N 0 3 307.372 3.899 20 30 DHEDHN COc1cc(NC2=CCN(Cc3ccccc3)CC2)ccc1C#N ZINC001175506794 1035020047 /nfs/dbraw/zinc/02/00/47/1035020047.db2.gz NIJJYPCXUDSGBX-UHFFFAOYSA-N 0 3 319.408 3.769 20 30 DHEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)cc3C)cc2)CC1 ZINC001175780526 1035118871 /nfs/dbraw/zinc/11/88/71/1035118871.db2.gz HCYUUGPXPQFSKR-UHFFFAOYSA-N 0 3 320.440 3.752 20 30 DHEDHN C[C@@H]1CN(Cc2ccnc(C#N)c2)CCc2ccc(Cl)cc21 ZINC000593066581 1035146231 /nfs/dbraw/zinc/14/62/31/1035146231.db2.gz NZCKAHUNZOYQON-CYBMUJFWSA-N 0 3 311.816 3.768 20 30 DHEDHN CC(C)CCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128713011 1035157406 /nfs/dbraw/zinc/15/74/06/1035157406.db2.gz QOCHJTMUXGGQEK-INIZCTEOSA-N 0 3 308.381 3.923 20 30 DHEDHN C#CCN(C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176452372 1035271905 /nfs/dbraw/zinc/27/19/05/1035271905.db2.gz KDVNRQAOVZLFMF-TYPHKJRUSA-N 0 3 309.453 3.957 20 30 DHEDHN C[C@H](C#N)OCCN1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176665868 1035309972 /nfs/dbraw/zinc/30/99/72/1035309972.db2.gz ZOTLFIYRMMACQE-IUODEOHRSA-N 0 3 312.866 3.727 20 30 DHEDHN N#CCc1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1 ZINC001179028584 1035463001 /nfs/dbraw/zinc/46/30/01/1035463001.db2.gz VVBNXYUUGJPWIU-UHFFFAOYSA-N 0 3 320.314 3.941 20 30 DHEDHN C=CC(C)(C)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC001179759317 1035500580 /nfs/dbraw/zinc/50/05/80/1035500580.db2.gz ZJDPDMUVVCBNQC-UHFFFAOYSA-N 0 3 316.357 3.918 20 30 DHEDHN C#C[C@H](N[C@H](C)c1ccc(OC)c2ccccc21)[C@H]1CCCO1 ZINC000775574865 1035562976 /nfs/dbraw/zinc/56/29/76/1035562976.db2.gz STXJPJOLWUXYNI-HEFCMCLBSA-N 0 3 309.409 3.680 20 30 DHEDHN C#C[C@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000775575522 1035564490 /nfs/dbraw/zinc/56/44/90/1035564490.db2.gz YGTLMNFMCBIOSP-UXPWSPDFSA-N 0 3 312.457 3.508 20 30 DHEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000192150520 1035770419 /nfs/dbraw/zinc/77/04/19/1035770419.db2.gz GBNAFHHITIIHGJ-AWEZNQCLSA-N 0 3 301.336 3.990 20 30 DHEDHN C[C@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccc(C#N)cc1 ZINC000594915026 1035811497 /nfs/dbraw/zinc/81/14/97/1035811497.db2.gz OOKYRJGSDOPQFK-YWZLYKJASA-N 0 3 322.408 3.577 20 30 DHEDHN N#Cc1ccc(C2=CCN(Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC000539923707 1035935481 /nfs/dbraw/zinc/93/54/81/1035935481.db2.gz GHNVRZGDTWYEHH-UHFFFAOYSA-N 0 3 314.392 3.724 20 30 DHEDHN CCO[C@H]1C[C@@H](NCC#Cc2ccccc2Cl)C12CCC2 ZINC001194446190 1035940678 /nfs/dbraw/zinc/94/06/78/1035940678.db2.gz NWEJUBDMMAOAQF-SJORKVTESA-N 0 3 303.833 3.629 20 30 DHEDHN CC(C)P(CCNC(=O)Cc1ccccc1C#N)C(C)C ZINC001181805906 1035994832 /nfs/dbraw/zinc/99/48/32/1035994832.db2.gz REAZZCBHTADFAD-UHFFFAOYSA-N 0 3 304.374 3.516 20 30 DHEDHN C=CCCC[C@H](C)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000540297931 1036032624 /nfs/dbraw/zinc/03/26/24/1036032624.db2.gz SVBCVYKANLPKOQ-WMLDXEAASA-N 0 3 304.409 3.608 20 30 DHEDHN C=CCNC(=O)CN[C@H](CCC(C)C)c1ccc(Cl)cc1 ZINC000540366080 1036053032 /nfs/dbraw/zinc/05/30/32/1036053032.db2.gz QZHLZSRQZWKOFQ-MRXNPFEDSA-N 0 3 308.853 3.709 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@@H](C2CC2)C1 ZINC001182185173 1036117971 /nfs/dbraw/zinc/11/79/71/1036117971.db2.gz ZHWOJSGIWRKPAJ-OAHLLOKOSA-N 0 3 303.833 3.974 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@H](C2CC2)C1 ZINC001182185172 1036118673 /nfs/dbraw/zinc/11/86/73/1036118673.db2.gz ZHWOJSGIWRKPAJ-HNNXBMFYSA-N 0 3 303.833 3.974 20 30 DHEDHN CCCCN(CC)[C@H](C(=O)NCCCCC#N)c1ccccc1 ZINC001182237057 1036140267 /nfs/dbraw/zinc/14/02/67/1036140267.db2.gz VNTFEWWPRJYJFZ-SFHVURJKSA-N 0 3 315.461 3.660 20 30 DHEDHN C=CCCCNC(=O)[C@H](c1ccccc1)N(CC)CCCC ZINC001182237761 1036154084 /nfs/dbraw/zinc/15/40/84/1036154084.db2.gz RUEUAYXDUKDMQD-SFHVURJKSA-N 0 3 302.462 3.932 20 30 DHEDHN CC(C)[C@H](NCc1ccc(C#N)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000774395526 1036316575 /nfs/dbraw/zinc/31/65/75/1036316575.db2.gz RMIZHSCXBLUMEL-SFHVURJKSA-N 0 3 321.380 3.892 20 30 DHEDHN C=CCN(Cc1cccc(OC(F)(F)F)c1)[C@H](C)COC ZINC001196048703 1036431135 /nfs/dbraw/zinc/43/11/35/1036431135.db2.gz YRBVOUXJQXSHMF-GFCCVEGCSA-N 0 3 303.324 3.608 20 30 DHEDHN C#CCCN(CCOC)Cc1cccc(SC(F)(F)F)c1 ZINC001196393672 1036520272 /nfs/dbraw/zinc/52/02/72/1036520272.db2.gz PTNRWLDHGBRMCW-UHFFFAOYSA-N 0 3 317.376 3.770 20 30 DHEDHN Cc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1C#N ZINC001196575408 1036574224 /nfs/dbraw/zinc/57/42/24/1036574224.db2.gz UABUKOBUWYMIJQ-LBPRGKRZSA-N 0 3 307.353 3.564 20 30 DHEDHN COc1cc(CNCc2ccc3c(c2)CCCC3)ccc1C#N ZINC000491591895 1036608711 /nfs/dbraw/zinc/60/87/11/1036608711.db2.gz PJVWPWNQJDGVGK-UHFFFAOYSA-N 0 3 306.409 3.735 20 30 DHEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(O[C@H](C)C#N)cc1 ZINC000151908870 1036719152 /nfs/dbraw/zinc/71/91/52/1036719152.db2.gz UNNKWLJJSIFPJF-KUHUBIRLSA-N 0 3 322.408 3.763 20 30 DHEDHN CCSc1cccc(CNCc2cnc3ccc(C#N)cn23)c1 ZINC000492126965 1036757062 /nfs/dbraw/zinc/75/70/62/1036757062.db2.gz FHSUXMZCYVBYLP-UHFFFAOYSA-N 0 3 322.437 3.608 20 30 DHEDHN C=CCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184407629 1036836111 /nfs/dbraw/zinc/83/61/11/1036836111.db2.gz SZIGRBAMCNTWMW-INIZCTEOSA-N 0 3 320.864 3.634 20 30 DHEDHN N#Cc1ccc(Br)c(CN(CC2CC2)CC2CC2)c1 ZINC000492506788 1036902156 /nfs/dbraw/zinc/90/21/56/1036902156.db2.gz CSBHMEAIEUNJBD-UHFFFAOYSA-N 0 3 319.246 3.943 20 30 DHEDHN CC(C)[C@H]1CCCN1Cc1cc(C#N)ccc1Br ZINC000492532562 1036907773 /nfs/dbraw/zinc/90/77/73/1036907773.db2.gz HOAXYWYFDBAPRZ-OAHLLOKOSA-N 0 3 307.235 3.941 20 30 DHEDHN Cc1cc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)ccc1C#N ZINC000443964116 1036919119 /nfs/dbraw/zinc/91/91/19/1036919119.db2.gz IVZGMRZHCYNKEY-PMACEKPBSA-N 0 3 306.409 3.877 20 30 DHEDHN CCc1nc(C)c(CN2CCC(Cc3ccc(C#N)cc3)CC2)[nH]1 ZINC001203243163 1036933195 /nfs/dbraw/zinc/93/31/95/1036933195.db2.gz ISIOYBMAGVZMES-UHFFFAOYSA-N 0 3 322.456 3.607 20 30 DHEDHN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCc1ccc(C#N)cc1 ZINC001198174738 1036967468 /nfs/dbraw/zinc/96/74/68/1036967468.db2.gz WVSBCEFDZQVNFT-CBGDNZLLSA-N 0 3 320.436 3.951 20 30 DHEDHN CCCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1OC ZINC000443989024 1036972132 /nfs/dbraw/zinc/97/21/32/1036972132.db2.gz QGGIGZJMMABSKK-UHFFFAOYSA-N 0 3 324.424 3.954 20 30 DHEDHN C=CCC[C@H]1CCCN1Cc1nc(-c2ccccc2F)no1 ZINC001198406097 1037014561 /nfs/dbraw/zinc/01/45/61/1037014561.db2.gz GGSLIBAXNNSLBR-ZDUSSCGKSA-N 0 3 301.365 3.806 20 30 DHEDHN C=CCCCN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC001198457628 1037023586 /nfs/dbraw/zinc/02/35/86/1037023586.db2.gz FMYHTPATTUAFGJ-KRWDZBQOSA-N 0 3 313.445 3.610 20 30 DHEDHN COc1cccc([C@@H](C)C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000193619854 1037036647 /nfs/dbraw/zinc/03/66/47/1037036647.db2.gz IKDSLJOLHLRZRR-DOMZBBRYSA-N 0 3 320.348 3.816 20 30 DHEDHN Oc1ccc(C[C@H]2CCCCN2CC#Cc2ccc(F)cc2)cc1 ZINC001198604297 1037078151 /nfs/dbraw/zinc/07/81/51/1037078151.db2.gz KYTHTEXTQNAPMY-HXUWFJFHSA-N 0 3 323.411 3.980 20 30 DHEDHN C[C@@H]1CC[C@](CO)(NCc2ccc(CC#N)cc2)c2ccccc21 ZINC001198696836 1037099513 /nfs/dbraw/zinc/09/95/13/1037099513.db2.gz XFRIUBUEXMBGGT-IIBYNOLFSA-N 0 3 320.436 3.627 20 30 DHEDHN C[C@H]1CC[C@@](CO)(NCc2ccc(CC#N)cc2)c2ccccc21 ZINC001198696838 1037099855 /nfs/dbraw/zinc/09/98/55/1037099855.db2.gz XFRIUBUEXMBGGT-KKSFZXQISA-N 0 3 320.436 3.627 20 30 DHEDHN C[C@H]1CN(c2c(Cl)cccc2C#N)CCN(C2CCC2)C1 ZINC000488749762 1037129356 /nfs/dbraw/zinc/12/93/56/1037129356.db2.gz JOSQRQULNTVKEC-CYBMUJFWSA-N 0 3 303.837 3.522 20 30 DHEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1SC(F)F ZINC000912056939 1037277964 /nfs/dbraw/zinc/27/79/64/1037277964.db2.gz CFHVCTMDHLRNPK-JTQLQIEISA-N 0 3 300.374 3.623 20 30 DHEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000774992285 1037349719 /nfs/dbraw/zinc/34/97/19/1037349719.db2.gz OWDSRKHRBSFQLA-DNVCBOLYSA-N 0 3 324.424 3.730 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000912396270 1037372603 /nfs/dbraw/zinc/37/26/03/1037372603.db2.gz WRIFNPCTSRZAGR-CVEARBPZSA-N 0 3 306.837 3.687 20 30 DHEDHN CC[C@@H](C)N[C@H](CNc1cc(F)ccc1C#N)c1ccco1 ZINC001186404813 1037388433 /nfs/dbraw/zinc/38/84/33/1037388433.db2.gz HZJDERIFVZGVJI-MLGOLLRUSA-N 0 3 301.365 3.832 20 30 DHEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]1c1cc(C)on1 ZINC000912467745 1037393955 /nfs/dbraw/zinc/39/39/55/1037393955.db2.gz WLJGHXMPSLAJAH-RDJZCZTQSA-N 0 3 321.465 3.724 20 30 DHEDHN N#Cc1ccc([C@H](O)CNCc2ccc(Cl)cc2Cl)cc1 ZINC000763227041 1037517990 /nfs/dbraw/zinc/51/79/90/1037517990.db2.gz SKSWVFOZYCBFKT-MRXNPFEDSA-N 0 3 321.207 3.688 20 30 DHEDHN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1CCCC#N ZINC000493975632 1037604411 /nfs/dbraw/zinc/60/44/11/1037604411.db2.gz UPKXTRMYBBWXDS-CVEARBPZSA-N 0 3 321.465 3.544 20 30 DHEDHN C=CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccncc1 ZINC000776155838 1037606757 /nfs/dbraw/zinc/60/67/57/1037606757.db2.gz IZTIKWJVWIWUJN-KXBFYZLASA-N 0 3 307.397 3.952 20 30 DHEDHN CCCCCCCN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001201762671 1037886401 /nfs/dbraw/zinc/88/64/01/1037886401.db2.gz QRJDUDWNSNGUHP-SFHVURJKSA-N 0 3 319.493 3.712 20 30 DHEDHN CCCCCCCCN1Cc2cnn(CC)c2[C@H](COC)C1 ZINC001201814826 1037901227 /nfs/dbraw/zinc/90/12/27/1037901227.db2.gz SOGZSOHBYODQCY-KRWDZBQOSA-N 0 3 307.482 3.809 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc(C#N)c1 ZINC000586790314 1037970801 /nfs/dbraw/zinc/97/08/01/1037970801.db2.gz PZDBZYUFPOMXGJ-NEPJUHHUSA-N 0 3 307.353 3.817 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OCCC)nc2)cc1 ZINC000156670121 1038178386 /nfs/dbraw/zinc/17/83/86/1038178386.db2.gz BTKBVGJAPAUWCU-INIZCTEOSA-N 0 3 324.424 3.733 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1n[nH]c2ccccc12 ZINC000591357572 1038277015 /nfs/dbraw/zinc/27/70/15/1038277015.db2.gz PWZXSUJDFKDLMB-KRWDZBQOSA-N 0 3 302.381 3.602 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1[nH]nc2ccccc21 ZINC000591357572 1038277022 /nfs/dbraw/zinc/27/70/22/1038277022.db2.gz PWZXSUJDFKDLMB-KRWDZBQOSA-N 0 3 302.381 3.602 20 30 DHEDHN N#Cc1ccccc1-c1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000572389339 1038363581 /nfs/dbraw/zinc/36/35/81/1038363581.db2.gz MBDGTWIAADQTHS-UHFFFAOYSA-N 0 3 317.436 3.505 20 30 DHEDHN C=CCN(CCc1ccccc1)C[C@@H]1COC2(CCCCC2)O1 ZINC001190708117 1038367105 /nfs/dbraw/zinc/36/71/05/1038367105.db2.gz QLQRRJOBXWALRL-LJQANCHMSA-N 0 3 315.457 3.793 20 30 DHEDHN C[C@H]1CCC[C@H](CN2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001190742752 1038377456 /nfs/dbraw/zinc/37/74/56/1038377456.db2.gz LBIMSYQMIVYXOE-RDJZCZTQSA-N 0 3 315.436 3.646 20 30 DHEDHN CN1CCC(N(C(=O)CCCCCC#N)c2ccccc2)CC1 ZINC000588879782 1038398478 /nfs/dbraw/zinc/39/84/78/1038398478.db2.gz UXLLCLHSOPUXKS-UHFFFAOYSA-N 0 3 313.445 3.588 20 30 DHEDHN CN(C/C=C\c1ccccc1)CCOCc1ccc(C#N)cc1 ZINC000588978999 1038414833 /nfs/dbraw/zinc/41/48/33/1038414833.db2.gz MCGWEQHIIDHWCY-YVMONPNESA-N 0 3 306.409 3.720 20 30 DHEDHN C=CCN1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000589111246 1038434270 /nfs/dbraw/zinc/43/42/70/1038434270.db2.gz HDBXGHMAONDTFL-UHFFFAOYSA-N 0 3 311.332 3.595 20 30 DHEDHN C#CCCCCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001192823008 1038703457 /nfs/dbraw/zinc/70/34/57/1038703457.db2.gz BWNLDRFIBCEPMH-IAGOWNOFSA-N 0 3 322.493 3.900 20 30 DHEDHN C#CCCCCCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001192823009 1038704577 /nfs/dbraw/zinc/70/45/77/1038704577.db2.gz BWNLDRFIBCEPMH-IRXDYDNUSA-N 0 3 322.493 3.900 20 30 DHEDHN N#CCC[C@@H](NC[C@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000775552116 1038709688 /nfs/dbraw/zinc/70/96/88/1038709688.db2.gz FDGHBOFQCIRMTG-MSOLQXFVSA-N 0 3 316.351 3.633 20 30 DHEDHN N#CCC[C@@H](NC[C@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000775554017 1038713465 /nfs/dbraw/zinc/71/34/65/1038713465.db2.gz VCFWGMKDSGJXFZ-MSOLQXFVSA-N 0 3 316.351 3.633 20 30 DHEDHN CN(C(=O)CCN[C@H](CCC#N)c1ccccc1)c1ccccc1 ZINC000591024859 1038750104 /nfs/dbraw/zinc/75/01/04/1038750104.db2.gz AJKVYDJKOJHLSB-LJQANCHMSA-N 0 3 321.424 3.674 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1F ZINC000170684946 1038868257 /nfs/dbraw/zinc/86/82/57/1038868257.db2.gz BKERJACCCDWICN-CYBMUJFWSA-N 0 3 314.360 3.587 20 30 DHEDHN COc1cc2c(cc1CN1CCC(CCC#N)CC1)O[C@H](C)C2 ZINC000573251010 1038887288 /nfs/dbraw/zinc/88/72/88/1038887288.db2.gz PDTWRKYDQBKOBL-CQSZACIVSA-N 0 3 314.429 3.534 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc2cnccc2o1 ZINC000593632690 1038908687 /nfs/dbraw/zinc/90/86/87/1038908687.db2.gz HHDKYZRRHWHXAM-GOSISDBHSA-N 0 3 303.365 3.867 20 30 DHEDHN COc1cc(CN[C@H]2CCc3cc(C#N)ccc32)ccc1Cl ZINC000598975938 1038970598 /nfs/dbraw/zinc/97/05/98/1038970598.db2.gz RXXJCURPUOKQII-KRWDZBQOSA-N 0 3 312.800 3.997 20 30 DHEDHN C[C@@H](NCc1ccncc1C#N)C1(c2ccccc2)CCCC1 ZINC000592107760 1039115730 /nfs/dbraw/zinc/11/57/30/1039115730.db2.gz NTHGBGDQEDAGMA-MRXNPFEDSA-N 0 3 305.425 3.943 20 30 DHEDHN Cc1ccc(CN(Cc2ccc(C#N)c(C)c2)CC2CC2)cn1 ZINC000592145991 1039144183 /nfs/dbraw/zinc/14/41/83/1039144183.db2.gz IFKHGSQPINIOOS-UHFFFAOYSA-N 0 3 305.425 3.982 20 30 DHEDHN N#Cc1ccccc1CN1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000592168621 1039163054 /nfs/dbraw/zinc/16/30/54/1039163054.db2.gz SWIGOUTVJXYKOQ-RTWAWAEBSA-N 0 3 320.436 3.516 20 30 DHEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(CC#N)cc1)CCCO2 ZINC000592391601 1039186313 /nfs/dbraw/zinc/18/63/13/1039186313.db2.gz GWCRTCMPKMNJEN-IBGZPJMESA-N 0 3 322.408 3.765 20 30 DHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cnn(C2CCCC2)c1 ZINC000592391442 1039188249 /nfs/dbraw/zinc/18/82/49/1039188249.db2.gz PSQSPGYTYQWFKB-HNNXBMFYSA-N 0 3 308.429 3.915 20 30 DHEDHN Cc1cc(C)cc(-c2ccc(CN3CC[C@@](O)(CC#N)C3)cc2)c1 ZINC000592522024 1039224669 /nfs/dbraw/zinc/22/46/69/1039224669.db2.gz GSFNSRRQOWTAGW-NRFANRHFSA-N 0 3 320.436 3.821 20 30 DHEDHN COc1ccccc1C[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000058525704 1039235267 /nfs/dbraw/zinc/23/52/67/1039235267.db2.gz MHCLWGYCAMCAGC-SFHVURJKSA-N 0 3 324.399 3.913 20 30 DHEDHN CCC(CC)Nc1ccncc1NC(=O)CCCCCC#N ZINC000594361543 1039756544 /nfs/dbraw/zinc/75/65/44/1039756544.db2.gz BOYYFXYJILHTHK-UHFFFAOYSA-N 0 3 302.422 3.517 20 30 DHEDHN CCC(CC)[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cccs1 ZINC000594431744 1039784078 /nfs/dbraw/zinc/78/40/78/1039784078.db2.gz QRMYZNAKYNLSQF-HOCLYGCPSA-N 0 3 321.490 3.753 20 30 DHEDHN CCC(CC)[C@H](NC(=O)[C@H](N)CCCCC#N)c1cccs1 ZINC000594431745 1039785085 /nfs/dbraw/zinc/78/50/85/1039785085.db2.gz QRMYZNAKYNLSQF-ZBFHGGJFSA-N 0 3 321.490 3.753 20 30 DHEDHN CC(C)(C)[C@@H]1CN(C(=O)[C@@H](N)CCCCC#N)c2ccccc21 ZINC000594455668 1039788494 /nfs/dbraw/zinc/78/84/94/1039788494.db2.gz BDMSJCSBFWNYDS-CVEARBPZSA-N 0 3 313.445 3.574 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000594425211 1039789156 /nfs/dbraw/zinc/78/91/56/1039789156.db2.gz GJRGIRFMIBCHPW-IBGZPJMESA-N 0 3 319.408 3.608 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1-c1ccccc1 ZINC000594426373 1039790400 /nfs/dbraw/zinc/79/04/00/1039790400.db2.gz OQRPTLONGVHYQY-QGZVFWFLSA-N 0 3 307.397 3.703 20 30 DHEDHN CCCCCc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594425478 1039790696 /nfs/dbraw/zinc/79/06/96/1039790696.db2.gz KAGLLYVZKONDDX-KRWDZBQOSA-N 0 3 301.434 3.769 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000594424443 1039791724 /nfs/dbraw/zinc/79/17/24/1039791724.db2.gz DRPMCPOTWDQQHZ-GOSISDBHSA-N 0 3 323.396 3.829 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000594427114 1039793746 /nfs/dbraw/zinc/79/37/46/1039793746.db2.gz SUIWVINCKUHIAG-MRXNPFEDSA-N 0 3 323.396 3.829 20 30 DHEDHN CC(C)Oc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000594494950 1039796436 /nfs/dbraw/zinc/79/64/36/1039796436.db2.gz MDZUELISFJMABF-UHFFFAOYSA-N 0 3 323.440 3.960 20 30 DHEDHN CC(C)(C#N)c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000594496202 1039800932 /nfs/dbraw/zinc/80/09/32/1039800932.db2.gz WJGASNUHMJNOOJ-UHFFFAOYSA-N 0 3 309.369 3.686 20 30 DHEDHN COc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594519473 1039822573 /nfs/dbraw/zinc/82/25/73/1039822573.db2.gz LBPLIKWRZDOQFF-UHFFFAOYSA-N 0 3 322.408 3.744 20 30 DHEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc(C#N)cc1 ZINC000594914132 1039922780 /nfs/dbraw/zinc/92/27/80/1039922780.db2.gz DEMGRNNTMBIWNI-HNNXBMFYSA-N 0 3 301.393 3.964 20 30 DHEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1cccc(C#N)c1 ZINC000594930157 1039932620 /nfs/dbraw/zinc/93/26/20/1039932620.db2.gz SXUPYKHRNFJJIJ-OAHLLOKOSA-N 0 3 301.393 3.964 20 30 DHEDHN CC(C)(NCC1=Cc2ccccc2OC1)c1cccc(C#N)c1 ZINC000594970577 1039947734 /nfs/dbraw/zinc/94/77/34/1039947734.db2.gz YTHYONNSZZGTAL-UHFFFAOYSA-N 0 3 304.393 3.859 20 30 DHEDHN N#CCc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594951170 1039959569 /nfs/dbraw/zinc/95/95/69/1039959569.db2.gz SEVGNZCDTOABPT-UHFFFAOYSA-N 0 3 301.393 3.598 20 30 DHEDHN COc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1F ZINC000594032963 1039968914 /nfs/dbraw/zinc/96/89/14/1039968914.db2.gz SWSUSFYJPYCSTM-UHFFFAOYSA-N 0 3 310.372 3.875 20 30 DHEDHN COCc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594035448 1039988846 /nfs/dbraw/zinc/98/88/46/1039988846.db2.gz NNLVIXGUVLQMNH-UHFFFAOYSA-N 0 3 306.409 3.874 20 30 DHEDHN Cc1ccc(F)cc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594983240 1040001009 /nfs/dbraw/zinc/00/10/09/1040001009.db2.gz JBRUINGCPYJCKF-UHFFFAOYSA-N 0 3 324.399 3.801 20 30 DHEDHN COc1cccc(C2(NCc3ccc(C#N)c(OC)c3)CCC2)c1 ZINC000594998664 1040010258 /nfs/dbraw/zinc/01/02/58/1040010258.db2.gz YHDMRKGXPPLUAF-UHFFFAOYSA-N 0 3 322.408 3.744 20 30 DHEDHN CC(C)C[C@H](CNCc1ccc(C#N)o1)CC(=O)OC(C)(C)C ZINC000594999696 1040013039 /nfs/dbraw/zinc/01/30/39/1040013039.db2.gz GTPZTXWUIQUGOP-AWEZNQCLSA-N 0 3 320.433 3.635 20 30 DHEDHN C[C@@H](O)[C@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000595005674 1040017176 /nfs/dbraw/zinc/01/71/76/1040017176.db2.gz CNQRACQVEMRYDK-UZLBHIALSA-N 0 3 324.424 3.581 20 30 DHEDHN CC[C@@H](NCc1c(C2CCC2)cnn1C)c1ccc(C#N)cc1 ZINC000595096569 1040081963 /nfs/dbraw/zinc/08/19/63/1040081963.db2.gz BQYJIFGCANYTFI-GOSISDBHSA-N 0 3 308.429 3.800 20 30 DHEDHN CC(C)(C)CN(CCC#N)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595329544 1040100142 /nfs/dbraw/zinc/10/01/42/1040100142.db2.gz UKCQQHDOGBRQCX-MRXNPFEDSA-N 0 3 321.509 3.533 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c(Cl)c1 ZINC000595789297 1040252027 /nfs/dbraw/zinc/25/20/27/1040252027.db2.gz QNCHROWQCHKICE-WMZOPIPTSA-N 0 3 318.848 3.993 20 30 DHEDHN CC[C@@H]1CC[C@@H](C)N(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000595782953 1040253732 /nfs/dbraw/zinc/25/37/32/1040253732.db2.gz KSFCTQKNGXOPGF-ZIAGYGMSSA-N 0 3 310.401 3.619 20 30 DHEDHN CC[C@@H](Cc1ccc(Br)cc1)NCC(C)(C)C#N ZINC000597082437 1040648299 /nfs/dbraw/zinc/64/82/99/1040648299.db2.gz JXSABAVKCFKEEW-AWEZNQCLSA-N 0 3 309.251 3.910 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456346941 1040784770 /nfs/dbraw/zinc/78/47/70/1040784770.db2.gz UGVLJCSVDTZKQA-MSOLQXFVSA-N 0 3 314.473 3.569 20 30 DHEDHN C[C@H](CCC#N)CN1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000602448309 1041035749 /nfs/dbraw/zinc/03/57/49/1041035749.db2.gz DWEDTACSIFCAEQ-GMTAPVOTSA-N 0 3 316.289 3.989 20 30 DHEDHN C[C@@H](N[C@@H](c1nnc[nH]1)C1CCCCC1)c1ccc(C#N)cc1 ZINC000602511468 1041078150 /nfs/dbraw/zinc/07/81/50/1041078150.db2.gz SHNOZVUILOKUBV-CXAGYDPISA-N 0 3 309.417 3.649 20 30 DHEDHN COc1ccc([C@H]2CCCN2CC2(CC#N)CC2)cc1OC ZINC000602758956 1041192680 /nfs/dbraw/zinc/19/26/80/1041192680.db2.gz KGFFHOUQYXTIOC-OAHLLOKOSA-N 0 3 300.402 3.535 20 30 DHEDHN CCC[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)cc1F ZINC000598600866 1041345790 /nfs/dbraw/zinc/34/57/90/1041345790.db2.gz HERRILXQQKHORX-CJNGLKHVSA-N 0 3 310.388 3.696 20 30 DHEDHN CCN(Cc1ccc(Cl)s1)C[C@H](O)CC(C)(C)C#N ZINC000598584673 1041348828 /nfs/dbraw/zinc/34/88/28/1041348828.db2.gz RHUVSEAOFNGAMI-LLVKDONJSA-N 0 3 300.855 3.524 20 30 DHEDHN CC[C@@H](CSC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356415908 522612090 /nfs/dbraw/zinc/61/20/90/522612090.db2.gz PETWLSUUGLRWJF-LBPRGKRZSA-N 0 3 302.365 3.808 20 30 DHEDHN C=CCOc1cccc(CN2CCC3(CCOCC3)CC2)c1 ZINC000285018471 335018468 /nfs/dbraw/zinc/01/84/68/335018468.db2.gz JYNYRQOZFHCVNA-UHFFFAOYSA-N 0 3 301.430 3.644 20 30 DHEDHN C=C(C)[C@@H](NCCc1cnn(CC)c1)c1ccc(F)c(F)c1 ZINC000285177440 335021750 /nfs/dbraw/zinc/02/17/50/335021750.db2.gz VILMXXIAXNJEEF-QGZVFWFLSA-N 0 3 305.372 3.631 20 30 DHEDHN Cc1ccccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555401 183202255 /nfs/dbraw/zinc/20/22/55/183202255.db2.gz NEEMZMVGWIEXOO-ZDUSSCGKSA-N 0 3 304.271 3.899 20 30 DHEDHN N#Cc1ccc(CNC2CCC(O)(c3ccccc3)CC2)c(F)c1 ZINC000273898202 130184320 /nfs/dbraw/zinc/18/43/20/130184320.db2.gz ZTAPEQWIMHDZMW-UHFFFAOYSA-N 0 3 324.399 3.617 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)cc2)c(C)c1OC ZINC000285511051 131175751 /nfs/dbraw/zinc/17/57/51/131175751.db2.gz DIANPHHQQSVQMB-AWEZNQCLSA-N 0 3 310.397 3.735 20 30 DHEDHN N#Cc1ccc(OC2CCN([C@@H]3C=CCCC3)CC2)c(F)c1 ZINC000285563832 131181073 /nfs/dbraw/zinc/18/10/73/131181073.db2.gz STWOLAOPKFHBGO-OAHLLOKOSA-N 0 3 300.377 3.649 20 30 DHEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2Cc2ccccc2C#N)C1 ZINC000340213345 131198808 /nfs/dbraw/zinc/19/88/08/131198808.db2.gz WNXFNPOFADSROP-NMLACTOBSA-N 0 3 312.457 3.710 20 30 DHEDHN C[C@@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000286851042 131252244 /nfs/dbraw/zinc/25/22/44/131252244.db2.gz ALKVTRBNINXSNQ-KUHUBIRLSA-N 0 3 311.404 3.651 20 30 DHEDHN CC1(C)CN(C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000287122850 131264964 /nfs/dbraw/zinc/26/49/64/131264964.db2.gz ZINMNTMZYFYULJ-DOTOQJQBSA-N 0 3 312.438 3.736 20 30 DHEDHN CC1(C)CN(C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000287122858 131265312 /nfs/dbraw/zinc/26/53/12/131265312.db2.gz ZINMNTMZYFYULJ-WBVHZDCISA-N 0 3 312.438 3.736 20 30 DHEDHN CC[C@@H](COCC(F)(F)F)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000297376912 132012583 /nfs/dbraw/zinc/01/25/83/132012583.db2.gz QUBKQRCFJVILJJ-MFKMUULPSA-N 0 3 318.314 3.705 20 30 DHEDHN CCN(CC)Cc1cccc(NC(=O)c2cccc(C#N)c2)c1 ZINC000298314846 132055969 /nfs/dbraw/zinc/05/59/69/132055969.db2.gz KEFHFARGIBJBGK-UHFFFAOYSA-N 0 3 307.397 3.652 20 30 DHEDHN CCN(C[C@@H](O)c1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000299092949 132088690 /nfs/dbraw/zinc/08/86/90/132088690.db2.gz UNFORIFAEVOHRP-IFXJQAMLSA-N 0 3 312.388 3.814 20 30 DHEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000120888816 132147072 /nfs/dbraw/zinc/14/70/72/132147072.db2.gz HHKNUEXGYAWEKM-ZBFHGGJFSA-N 0 3 317.433 3.607 20 30 DHEDHN Cc1oc(NC(=O)[C@H](C)N(C)CC2CCCCC2)c(C#N)c1C ZINC000044715151 132160205 /nfs/dbraw/zinc/16/02/05/132160205.db2.gz UYYQLFHKNUGINK-ZDUSSCGKSA-N 0 3 317.433 3.607 20 30 DHEDHN C(#Cc1ccccc1)CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290077888 335068215 /nfs/dbraw/zinc/06/82/15/335068215.db2.gz GTFIGQKIRVRJJM-OAQYLSRUSA-N 0 3 317.432 3.722 20 30 DHEDHN C=CCN(CC=C)[C@H](CNc1cc(C(C)C)ncn1)C(C)C ZINC000517639325 435604544 /nfs/dbraw/zinc/60/45/44/435604544.db2.gz MEZBFEIPCTYPIH-QGZVFWFLSA-N 0 3 302.466 3.711 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](COC)c1cccc(Cl)c1 ZINC000570933983 332844458 /nfs/dbraw/zinc/84/44/58/332844458.db2.gz UDKJDZASBGWCIH-OIISXLGYSA-N 0 3 309.837 3.598 20 30 DHEDHN CC(C)c1ccccc1OCCNCc1ccc(C#N)cc1F ZINC000533445883 331532182 /nfs/dbraw/zinc/53/21/82/331532182.db2.gz LRSUVFMVSZXXRV-UHFFFAOYSA-N 0 3 312.388 3.989 20 30 DHEDHN Cc1ccc(OCCCCNCc2ccc(C#N)cc2F)cc1 ZINC000533448873 331533439 /nfs/dbraw/zinc/53/34/39/331533439.db2.gz LGDRDZDDBFMEFQ-UHFFFAOYSA-N 0 3 312.388 3.955 20 30 DHEDHN C=CCC(C)(C)CNC(=O)Nc1ccccc1CCN(C)C ZINC000297892474 331609840 /nfs/dbraw/zinc/60/98/40/331609840.db2.gz RVCOUZSXNVNLOV-UHFFFAOYSA-N 0 3 303.450 3.515 20 30 DHEDHN C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(C2CC2)cc1 ZINC000557201414 331776305 /nfs/dbraw/zinc/77/63/05/331776305.db2.gz RJYWCVNHPUUZQS-AWEZNQCLSA-N 0 3 316.408 3.934 20 30 DHEDHN CC1(C#N)CCC(NCc2c(F)cccc2OC(F)F)CC1 ZINC000449177346 331923556 /nfs/dbraw/zinc/92/35/56/331923556.db2.gz SJIHTRKICLVIHP-UHFFFAOYSA-N 0 3 312.335 3.989 20 30 DHEDHN N#Cc1cccc(OCCN2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000520042049 332030812 /nfs/dbraw/zinc/03/08/12/332030812.db2.gz FGLYKHNNSXRBSS-LJQANCHMSA-N 0 3 324.399 3.783 20 30 DHEDHN CCCN(CCOc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000521196687 332065480 /nfs/dbraw/zinc/06/54/80/332065480.db2.gz UKROQFKPSMRVIG-UHFFFAOYSA-N 0 3 312.388 3.988 20 30 DHEDHN C=CCC[C@H](CO)NCc1ccc(Cl)cc1Br ZINC000320226587 333457480 /nfs/dbraw/zinc/45/74/80/333457480.db2.gz ASHXGLIMAUWKCK-GFCCVEGCSA-N 0 3 318.642 3.519 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000569491347 332102037 /nfs/dbraw/zinc/10/20/37/332102037.db2.gz IAYIZQRBBHNFIP-HNNXBMFYSA-N 0 3 322.880 3.704 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1cnc2nc(C)cc(C)n12 ZINC000092505670 332132166 /nfs/dbraw/zinc/13/21/66/332132166.db2.gz IOEIDIQTYKMEOR-UHFFFAOYSA-N 0 3 320.440 3.577 20 30 DHEDHN COCCOCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363712337 332227206 /nfs/dbraw/zinc/22/72/06/332227206.db2.gz LFXVKOFIYPITSM-MRXNPFEDSA-N 0 3 324.424 3.539 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000569615681 332313031 /nfs/dbraw/zinc/31/30/31/332313031.db2.gz UNPAUAAYIWNZHT-INIZCTEOSA-N 0 3 320.502 3.730 20 30 DHEDHN CSc1ccc(OCCNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000560175177 332316615 /nfs/dbraw/zinc/31/66/15/332316615.db2.gz OAAIBLSPMRVZLP-UHFFFAOYSA-N 0 3 324.449 3.938 20 30 DHEDHN C=CCCCCN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000560218080 332319967 /nfs/dbraw/zinc/31/99/67/332319967.db2.gz DRNROAOKMIECGL-SFHVURJKSA-N 0 3 301.409 3.937 20 30 DHEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000237401379 332346567 /nfs/dbraw/zinc/34/65/67/332346567.db2.gz UDXQSBTUSXFUHT-QFBILLFUSA-N 0 3 308.425 3.537 20 30 DHEDHN C=CCN(CCc1ccccc1)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000237580029 332377141 /nfs/dbraw/zinc/37/71/41/332377141.db2.gz XQDCJZXMNNTZTE-YLJYHZDGSA-N 0 3 322.452 3.580 20 30 DHEDHN Cc1cc(CN[C@@H](c2cccs2)C(C)(C)CO)ccc1C#N ZINC000583409846 332391906 /nfs/dbraw/zinc/39/19/06/332391906.db2.gz GRMODAHVDDVGOW-KRWDZBQOSA-N 0 3 314.454 3.778 20 30 DHEDHN C=CCN(CC1CCCCC1)C(=O)C[C@H](N)c1ccccc1 ZINC000237868554 332395552 /nfs/dbraw/zinc/39/55/52/332395552.db2.gz KTROQGHRSUXBKN-SFHVURJKSA-N 0 3 300.446 3.671 20 30 DHEDHN CC(C)OCc1ccccc1CNCc1ccc(C#N)c(F)c1 ZINC000569833361 332684798 /nfs/dbraw/zinc/68/47/98/332684798.db2.gz YANQXDQCRHTNLD-UHFFFAOYSA-N 0 3 312.388 3.912 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)OCCCCO2)c1ccc(C#N)cc1 ZINC000580281159 333054976 /nfs/dbraw/zinc/05/49/76/333054976.db2.gz YGARJAMFNBUPQG-HNNXBMFYSA-N 0 3 322.408 3.960 20 30 DHEDHN C=CCN(CCCO[C@H]1CCCCO1)Cc1ccc(OC)cc1 ZINC000460380191 333075405 /nfs/dbraw/zinc/07/54/05/333075405.db2.gz LYSVMBMCTICEIL-IBGZPJMESA-N 0 3 319.445 3.617 20 30 DHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1N(C)C ZINC000180548399 333162824 /nfs/dbraw/zinc/16/28/24/333162824.db2.gz OHYLXDCUXBUJQP-OAHLLOKOSA-N 0 3 309.413 3.506 20 30 DHEDHN COc1ccc2c(c1)CCC[C@H]2NCc1ccc(OCC#N)cc1 ZINC000180550524 333163186 /nfs/dbraw/zinc/16/31/86/333163186.db2.gz PVXJJSZGGOMRDS-HXUWFJFHSA-N 0 3 322.408 3.765 20 30 DHEDHN Cc1ccc([C@H](C)NCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000182332439 333177657 /nfs/dbraw/zinc/17/76/57/333177657.db2.gz KCNAVBXGEUPWTL-KRWDZBQOSA-N 0 3 321.424 3.593 20 30 DHEDHN C=CCOc1ccccc1CN[C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000442795610 335123311 /nfs/dbraw/zinc/12/33/11/335123311.db2.gz UUWGDFHXIGJDCH-INIZCTEOSA-N 0 3 318.420 3.990 20 30 DHEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(N2CCCC2=O)c1 ZINC000185798774 333214367 /nfs/dbraw/zinc/21/43/67/333214367.db2.gz SWVUGPIVGGTSHR-VYDXJSESSA-N 0 3 311.429 3.546 20 30 DHEDHN CN(c1ccc(C#N)cc1F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388176965 333217002 /nfs/dbraw/zinc/21/70/02/333217002.db2.gz LUVMKJXBSAWDTH-SFHVURJKSA-N 0 3 323.415 3.798 20 30 DHEDHN CCN(C[C@H](C)C#N)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000497255276 333227871 /nfs/dbraw/zinc/22/78/71/333227871.db2.gz WZJXTOVCSBINNJ-OAGGEKHMSA-N 0 3 323.481 3.504 20 30 DHEDHN CCN(C[C@H](C)C#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000497255277 333227945 /nfs/dbraw/zinc/22/79/45/333227945.db2.gz WZJXTOVCSBINNJ-OWCLPIDISA-N 0 3 323.481 3.504 20 30 DHEDHN CCCC1(CNC[C@H](C)C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000497292566 333232064 /nfs/dbraw/zinc/23/20/64/333232064.db2.gz JFGACZMYLKEAGA-OAHLLOKOSA-N 0 3 323.481 3.553 20 30 DHEDHN CCN(CCC#N)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000497292559 333232085 /nfs/dbraw/zinc/23/20/85/333232085.db2.gz JDLIPLHCOGHZBW-WKILWMFISA-N 0 3 323.481 3.553 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(/C=C/C)cc2)CC1 ZINC000497342863 333238509 /nfs/dbraw/zinc/23/85/09/333238509.db2.gz QMWVKQNWBQWXFQ-SNAWJCMRSA-N 0 3 313.445 3.882 20 30 DHEDHN COc1ccc(CCCN(C)Cc2cc(C#N)ccc2F)cc1 ZINC000497478119 333255181 /nfs/dbraw/zinc/25/51/81/333255181.db2.gz XNLVNOUNVPSSLA-UHFFFAOYSA-N 0 3 312.388 3.771 20 30 DHEDHN CCCN(CC(=O)Nc1ccc(C#N)cc1)CC1CCCCC1 ZINC000497749528 333287046 /nfs/dbraw/zinc/28/70/46/333287046.db2.gz YJHGDZAEQAORFO-UHFFFAOYSA-N 0 3 313.445 3.789 20 30 DHEDHN CC1(C)[C@@H](C(F)(F)F)CCN1CCOc1cccc(C#N)c1 ZINC000319489596 333308450 /nfs/dbraw/zinc/30/84/50/333308450.db2.gz HGGHECJULWPPEL-AWEZNQCLSA-N 0 3 312.335 3.600 20 30 DHEDHN N#Cc1cccc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1F ZINC000391946098 335136461 /nfs/dbraw/zinc/13/64/61/335136461.db2.gz WIVAQLZRJVBPMT-RCCFBDPRSA-N 0 3 316.420 3.603 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)CC(=C)C ZINC000125966364 333372035 /nfs/dbraw/zinc/37/20/35/333372035.db2.gz HXVGTTUEYDOKJT-HNNXBMFYSA-N 0 3 306.475 3.549 20 30 DHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(Br)ccc1F ZINC000320211372 333452609 /nfs/dbraw/zinc/45/26/09/333452609.db2.gz FIUTYHLIIFTLCF-JQWIXIFHSA-N 0 3 316.214 3.566 20 30 DHEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(Br)cc1F ZINC000320214105 333454183 /nfs/dbraw/zinc/45/41/83/333454183.db2.gz FWASXNGRUCCXDA-ZYHUDNBSSA-N 0 3 316.214 3.566 20 30 DHEDHN C[C@H](Nc1c(F)cc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000571054548 333496385 /nfs/dbraw/zinc/49/63/85/333496385.db2.gz SNDDNZGCVJUFCI-SGTLLEGYSA-N 0 3 315.367 3.940 20 30 DHEDHN C[C@@H](NCc1ccc(-c2cc[nH]n2)cc1)c1cccc(C#N)c1 ZINC000320287949 333497828 /nfs/dbraw/zinc/49/78/28/333497828.db2.gz XYQCFHGQGIEUIA-CQSZACIVSA-N 0 3 302.381 3.799 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)COC3)cc1 ZINC000296378446 335144050 /nfs/dbraw/zinc/14/40/50/335144050.db2.gz JMRUFCFEGAXLLD-HNNXBMFYSA-N 0 3 307.393 3.580 20 30 DHEDHN Cc1c([C@H](C)N[C@H]2CC[C@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000339067192 333507898 /nfs/dbraw/zinc/50/78/98/333507898.db2.gz HQGGEZCLSQAVLW-NOLJZWGESA-N 0 3 312.392 3.663 20 30 DHEDHN COc1ccc(Cl)cc1[C@H](CC(C)C)NCCOCCC#N ZINC000339070930 333508084 /nfs/dbraw/zinc/50/80/84/333508084.db2.gz LMZXKOQLGRWQER-INIZCTEOSA-N 0 3 324.852 3.956 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000565442088 333521702 /nfs/dbraw/zinc/52/17/02/333521702.db2.gz ASANCBJDJWLGTM-WMLDXEAASA-N 0 3 320.502 3.730 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000185793213 335151172 /nfs/dbraw/zinc/15/11/72/335151172.db2.gz QUBDETYXZLAKHH-LNLFQRSKSA-N 0 3 314.473 3.758 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000185793177 335151240 /nfs/dbraw/zinc/15/12/40/335151240.db2.gz QUBDETYXZLAKHH-JENIJYKNSA-N 0 3 314.473 3.758 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000185793195 335151328 /nfs/dbraw/zinc/15/13/28/335151328.db2.gz QUBDETYXZLAKHH-SCTDSRPQSA-N 0 3 314.473 3.758 20 30 DHEDHN C[C@H](NCCC1(C#N)CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000411476955 333679197 /nfs/dbraw/zinc/67/91/97/333679197.db2.gz CEGTZLONZBKMPX-NYHFZMIOSA-N 0 3 318.486 3.939 20 30 DHEDHN CC[C@H](NCCC(=O)Nc1ccccc1C#N)c1cccs1 ZINC000411511536 333686001 /nfs/dbraw/zinc/68/60/01/333686001.db2.gz JLBWOASMVZENIN-AWEZNQCLSA-N 0 3 313.426 3.689 20 30 DHEDHN CC[C@H](NCc1cccc(N2CCC2=O)c1)c1ccc(C#N)cc1 ZINC000442827076 335156353 /nfs/dbraw/zinc/15/63/53/335156353.db2.gz YJKQTEBYTUBBDF-IBGZPJMESA-N 0 3 319.408 3.536 20 30 DHEDHN C=C(C)[C@H](NC1CCC2(CC1)OCCO2)c1ccc(F)c(F)c1 ZINC000186446493 335158056 /nfs/dbraw/zinc/15/80/56/335158056.db2.gz JVRNFYOPBYIUQS-KRWDZBQOSA-N 0 3 323.383 3.857 20 30 DHEDHN C=CC[C@H](C)[C@H](C)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186637548 335162335 /nfs/dbraw/zinc/16/23/35/335162335.db2.gz BYJCDAFXWWNZDM-DEYYWGMASA-N 0 3 301.409 3.839 20 30 DHEDHN CCOC(=O)c1oc2c(c1C)[C@H](NCC(C)(C)CC#N)CCC2 ZINC000414169027 333907072 /nfs/dbraw/zinc/90/70/72/333907072.db2.gz RIEHHIOAMFJFCG-CYBMUJFWSA-N 0 3 318.417 3.672 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NCc2cc(Cl)cc(Br)c2)C1 ZINC000414243498 333919168 /nfs/dbraw/zinc/91/91/68/333919168.db2.gz OYCVTKOQPVDDDT-NOZJJQNGSA-N 0 3 313.626 3.884 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC(c2ncc[nH]2)CC1 ZINC000268977598 333996969 /nfs/dbraw/zinc/99/69/69/333996969.db2.gz NZAUNWWMNVXBID-UHFFFAOYSA-N 0 3 308.429 3.590 20 30 DHEDHN C=CC[C@H](Cc1ccccc1)NCc1nccn1CC(F)(F)F ZINC000414538025 334012515 /nfs/dbraw/zinc/01/25/15/334012515.db2.gz PXIYLKSDOKYRTE-OAHLLOKOSA-N 0 3 323.362 3.722 20 30 DHEDHN C=CC[C@H](Cc1ccccc1)NCc1ncc(COC)s1 ZINC000414541042 334013424 /nfs/dbraw/zinc/01/34/24/334013424.db2.gz VRDQYOAZAPBJGU-OAHLLOKOSA-N 0 3 302.443 3.567 20 30 DHEDHN N#Cc1cccc(CCN[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000343513861 335173632 /nfs/dbraw/zinc/17/36/32/335173632.db2.gz OJYKHNMZYDGOLW-SFHVURJKSA-N 0 3 310.372 3.743 20 30 DHEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(OCC#N)cc1 ZINC000272300283 334032942 /nfs/dbraw/zinc/03/29/42/334032942.db2.gz RBWZZBDQGMCDIC-OAHLLOKOSA-N 0 3 317.392 3.801 20 30 DHEDHN Cc1cc(C)n(-c2ccc(CN3CCC(C)(C#N)CC3)cc2)n1 ZINC000272505274 334036012 /nfs/dbraw/zinc/03/60/12/334036012.db2.gz FFKDLCUAHLZQJF-UHFFFAOYSA-N 0 3 308.429 3.615 20 30 DHEDHN CN(Cc1ccc(C#N)o1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273467555 334047522 /nfs/dbraw/zinc/04/75/22/334047522.db2.gz INVWRMVQTBTLNT-CRAIPNDOSA-N 0 3 314.360 3.642 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N[C@@H](CCO)c2ccco2)CC1 ZINC000274616217 334063888 /nfs/dbraw/zinc/06/38/88/334063888.db2.gz DRKZKPAXXYXQJE-FDYSRKEFSA-N 0 3 324.424 3.697 20 30 DHEDHN CCc1ccc([C@H](O)CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000276426622 334077972 /nfs/dbraw/zinc/07/79/72/334077972.db2.gz OUCBVUJBJUGYOJ-FOIQADDNSA-N 0 3 324.424 3.536 20 30 DHEDHN N#Cc1cccc(OCCCN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278889570 334103028 /nfs/dbraw/zinc/10/30/28/334103028.db2.gz UMIJABGXXGWXFK-AWEZNQCLSA-N 0 3 312.335 3.601 20 30 DHEDHN C[C@@H](NCCc1cccc(C#N)c1)c1nc2c(s1)CCCC2 ZINC000343509015 335172940 /nfs/dbraw/zinc/17/29/40/335172940.db2.gz JDDJPSHQHPGWGK-CYBMUJFWSA-N 0 3 311.454 3.787 20 30 DHEDHN CCCC[C@H](CC)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279144870 334106131 /nfs/dbraw/zinc/10/61/31/334106131.db2.gz AAVYGXXUMUVBAF-YJBOKZPZSA-N 0 3 311.429 3.573 20 30 DHEDHN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280445524 334117485 /nfs/dbraw/zinc/11/74/85/334117485.db2.gz NGIBGNLLBGAQLN-ZTFGCOKTSA-N 0 3 323.440 3.572 20 30 DHEDHN CCCC[C@@H](CCC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280632806 334118855 /nfs/dbraw/zinc/11/88/55/334118855.db2.gz YYLKPJQORHQISP-ZWKOTPCHSA-N 0 3 311.429 3.716 20 30 DHEDHN CCCCCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280872313 334120829 /nfs/dbraw/zinc/12/08/29/334120829.db2.gz RHLZPUSYVGWFJX-CRAIPNDOSA-N 0 3 311.429 3.716 20 30 DHEDHN COC[C@H](NCC1CCC(C#N)CC1)c1ccc(F)c(F)c1 ZINC000282110991 334131365 /nfs/dbraw/zinc/13/13/65/334131365.db2.gz AEUUIHMDNLPOCM-FVKWTLKZSA-N 0 3 308.372 3.572 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000282198655 334132335 /nfs/dbraw/zinc/13/23/35/334132335.db2.gz GRMYRCNVYAYWAF-LPGAHRBXSA-N 0 3 308.784 3.591 20 30 DHEDHN Cc1ccc(CN2CCC(C)(C#N)CC2)c(-c2cnn(C)c2)c1 ZINC000282742485 334136777 /nfs/dbraw/zinc/13/67/77/334136777.db2.gz FWXNVBBGGJJSAS-UHFFFAOYSA-N 0 3 308.429 3.521 20 30 DHEDHN CC[C@](C)(C#N)c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000285316049 334146890 /nfs/dbraw/zinc/14/68/90/334146890.db2.gz KMVXHBZYJHGKGP-LJQANCHMSA-N 0 3 324.428 3.914 20 30 DHEDHN COc1ccccc1O[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000286524748 334153593 /nfs/dbraw/zinc/15/35/93/334153593.db2.gz QXLQISDYAVRDJA-MRXNPFEDSA-N 0 3 316.445 3.868 20 30 DHEDHN COc1ccc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)c(C)c1OC ZINC000287053975 334156224 /nfs/dbraw/zinc/15/62/24/334156224.db2.gz NCLNMALIHFZDDV-ZNMIVQPWSA-N 0 3 302.418 3.745 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2ccncc2OCc2ccccc2)C1 ZINC000287656980 334158392 /nfs/dbraw/zinc/15/83/92/334158392.db2.gz VFDURAABFHVHQV-PKOBYXMFSA-N 0 3 321.424 3.833 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289372197 334164636 /nfs/dbraw/zinc/16/46/36/334164636.db2.gz AXTJROVBUGEUGF-MSOLQXFVSA-N 0 3 312.457 3.877 20 30 DHEDHN CCN(CC(C)C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343591587 335180028 /nfs/dbraw/zinc/18/00/28/335180028.db2.gz CVKRKBWZMKWOLI-GFCCVEGCSA-N 0 3 307.825 3.517 20 30 DHEDHN C=CC[C@@H](CC)NCc1cc(O)c(OC)cc1Br ZINC000343595505 335180652 /nfs/dbraw/zinc/18/06/52/335180652.db2.gz BNZFJMJSXOUDOQ-LLVKDONJSA-N 0 3 314.223 3.608 20 30 DHEDHN N#CCCOCCN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000292666344 334190680 /nfs/dbraw/zinc/19/06/80/334190680.db2.gz AUTIELYPLBWZPF-HXUWFJFHSA-N 0 3 306.409 3.716 20 30 DHEDHN COc1ccc2[nH]cc(C3=CCN([C@@H]4CC[C@H](C#N)C4)CC3)c2c1 ZINC000292787609 334192370 /nfs/dbraw/zinc/19/23/70/334192370.db2.gz LDNNEYRGTVFDGB-GOEBONIOSA-N 0 3 321.424 3.958 20 30 DHEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC000293477735 334198228 /nfs/dbraw/zinc/19/82/28/334198228.db2.gz MECJAPVNUUKLGH-GXTWGEPZSA-N 0 3 306.356 3.500 20 30 DHEDHN CCOc1ccc([C@H](O)C2CCN([C@@H](C)CCC#N)CC2)cc1 ZINC000298037762 334245807 /nfs/dbraw/zinc/24/58/07/334245807.db2.gz CWXAASOMNHLKIW-KXBFYZLASA-N 0 3 316.445 3.523 20 30 DHEDHN C[C@@H](CCC#N)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000298448533 334248848 /nfs/dbraw/zinc/24/88/48/334248848.db2.gz HHURHQGQTXMFTO-LBPRGKRZSA-N 0 3 301.365 3.839 20 30 DHEDHN CC[C@H](CC#N)N[C@H]1CCc2cc(Br)ccc2C1 ZINC000110823134 334291330 /nfs/dbraw/zinc/29/13/30/334291330.db2.gz WPIQWRCZHRRCHS-CABCVRRESA-N 0 3 307.235 3.588 20 30 DHEDHN N#Cc1ccc(CNCCOc2cccc3ccccc32)cc1 ZINC000048778269 334296407 /nfs/dbraw/zinc/29/64/07/334296407.db2.gz ITFVDVLOBFGTOI-UHFFFAOYSA-N 0 3 302.377 3.880 20 30 DHEDHN COc1ccc(C[C@H](NCCCC#N)c2ccccc2)cc1OC ZINC000341633424 334467022 /nfs/dbraw/zinc/46/70/22/334467022.db2.gz FJVVNVDGXVUNJA-SFHVURJKSA-N 0 3 324.424 3.881 20 30 DHEDHN COCC1(C#N)CCN(Cc2ccc(CC(C)C)cc2)CC1 ZINC000341995965 334499039 /nfs/dbraw/zinc/49/90/39/334499039.db2.gz RFFFCQZEEKSRBS-UHFFFAOYSA-N 0 3 300.446 3.637 20 30 DHEDHN C=CCC[C@@H](NCCn1cncn1)c1ccc(C(F)(F)F)cc1 ZINC000342229696 334523320 /nfs/dbraw/zinc/52/33/20/334523320.db2.gz UNOKOKVYHVRYJM-OAHLLOKOSA-N 0 3 324.350 3.594 20 30 DHEDHN C[C@H](N[C@H](CO)CC1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000417369865 334764724 /nfs/dbraw/zinc/76/47/24/334764724.db2.gz RTVCAAKJOGDSCH-GUYCJALGSA-N 0 3 304.409 3.679 20 30 DHEDHN Cc1cc(CNCc2ccc(NC(=O)C(C)C)cc2)ccc1C#N ZINC000443962574 338464481 /nfs/dbraw/zinc/46/44/81/338464481.db2.gz GKSRRORMTNTLIE-UHFFFAOYSA-N 0 3 321.424 3.751 20 30 DHEDHN N#CCc1ccc(CN2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000343699803 335189139 /nfs/dbraw/zinc/18/91/39/335189139.db2.gz VNLRDCASFFMWBK-IBGZPJMESA-N 0 3 316.408 3.549 20 30 DHEDHN N#Cc1ccc(CNCCc2c[nH]c3cc(F)ccc23)c(F)c1 ZINC000343906365 335201278 /nfs/dbraw/zinc/20/12/78/335201278.db2.gz ATSXYNFLJNYSOR-UHFFFAOYSA-N 0 3 311.335 3.650 20 30 DHEDHN CC[C@@H](CC#N)N[C@H](C)Cc1ccc(Br)c(F)c1 ZINC000344684297 335266513 /nfs/dbraw/zinc/26/65/13/335266513.db2.gz CBYNDBXXPPVUNW-PWSUYJOCSA-N 0 3 313.214 3.801 20 30 DHEDHN N#Cc1cccc(OC2CCN(CCc3ccccc3F)CC2)c1 ZINC000345225602 335310046 /nfs/dbraw/zinc/31/00/46/335310046.db2.gz DKKFWGBIITXLSX-UHFFFAOYSA-N 0 3 324.399 3.783 20 30 DHEDHN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1cc(C#N)cs1 ZINC000345690030 335342027 /nfs/dbraw/zinc/34/20/27/335342027.db2.gz GMLLZGQYOFGQRO-BDJLRTHQSA-N 0 3 304.390 3.625 20 30 DHEDHN CCC[C@@H](NCCCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000444675723 338481430 /nfs/dbraw/zinc/48/14/30/338481430.db2.gz OJUXCGDKKLRZDK-OAHLLOKOSA-N 0 3 313.449 3.880 20 30 DHEDHN COCC[C@H](Cc1ccco1)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346839447 335445006 /nfs/dbraw/zinc/44/50/06/335445006.db2.gz SYKATQQSVJSYAZ-CZUORRHYSA-N 0 3 316.376 3.589 20 30 DHEDHN COCC[C@H](Cc1ccco1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346839448 335445011 /nfs/dbraw/zinc/44/50/11/335445011.db2.gz SYKATQQSVJSYAZ-XJKSGUPXSA-N 0 3 316.376 3.589 20 30 DHEDHN N#Cc1cccc(OCCN2CCC(c3ccc(O)cc3)CC2)c1 ZINC000052468074 335792400 /nfs/dbraw/zinc/79/24/00/335792400.db2.gz TWLKJEVBZARWRN-UHFFFAOYSA-N 0 3 322.408 3.522 20 30 DHEDHN CC[C@H](NCC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCCO1 ZINC000329403333 335972270 /nfs/dbraw/zinc/97/22/70/335972270.db2.gz CDLFATPALLHFNC-KSZLIROESA-N 0 3 316.445 3.568 20 30 DHEDHN C[C@H](CN1CCCCC1)NC(=O)c1coc(C2CCCC2)n1 ZINC000329954408 336099455 /nfs/dbraw/zinc/09/94/55/336099455.db2.gz KCCHMGXKLKPFQR-CYBMUJFWSA-N 0 3 305.422 3.511 20 30 DHEDHN Cc1c[nH]c(-c2ccccc2NC(=O)CN2[C@H](C)CC[C@@H]2C)n1 ZINC000330245225 336129239 /nfs/dbraw/zinc/12/92/39/336129239.db2.gz XPOSYFUUHADYMQ-OKILXGFUSA-N 0 3 312.417 3.846 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC(NC(=O)CC3CCCC3)CC2)C1 ZINC000330255227 336130480 /nfs/dbraw/zinc/13/04/80/336130480.db2.gz PNVFWODWYUEFNX-WBVHZDCISA-N 0 3 303.450 3.680 20 30 DHEDHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330258444 336130606 /nfs/dbraw/zinc/13/06/06/336130606.db2.gz MKGPUBTYFYTGLP-PEYYIBSZSA-N 0 3 322.836 3.782 20 30 DHEDHN CN(C)[C@H](CNc1ccc(Cl)cc1C#N)c1ccsc1 ZINC000352633476 336227972 /nfs/dbraw/zinc/22/79/72/336227972.db2.gz OOYOFPXCINVDEP-OAHLLOKOSA-N 0 3 305.834 3.988 20 30 DHEDHN CN(Cc1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000042268118 336238269 /nfs/dbraw/zinc/23/82/69/336238269.db2.gz NAQQIDZEVBVEGS-UHFFFAOYSA-N 0 3 315.214 3.953 20 30 DHEDHN C[C@@H](N[C@@H]1CCOc2ccccc21)c1ccc(OCC#N)cc1 ZINC000193002618 336286946 /nfs/dbraw/zinc/28/69/46/336286946.db2.gz NWRNMOYYEDBJJZ-RDTXWAMCSA-N 0 3 308.381 3.763 20 30 DHEDHN CN(C)[C@H](CNc1ccc(Cl)cc1C#N)c1cccs1 ZINC000301180640 336293687 /nfs/dbraw/zinc/29/36/87/336293687.db2.gz HOUUAYLMGNXHHN-CQSZACIVSA-N 0 3 305.834 3.988 20 30 DHEDHN N#Cc1ccc(N[C@@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000301352015 336302118 /nfs/dbraw/zinc/30/21/18/336302118.db2.gz NAGSBTRPTANKDL-IBGZPJMESA-N 0 3 309.388 3.946 20 30 DHEDHN CN(C)[C@@H](CNc1c(C#N)cnc2ccccc21)c1ccccc1 ZINC000301379415 336303522 /nfs/dbraw/zinc/30/35/22/336303522.db2.gz ZMPQHEBGELWJEP-IBGZPJMESA-N 0 3 316.408 3.821 20 30 DHEDHN CN(C)[C@H](CNc1c(C#N)cnc2ccccc21)c1ccccc1 ZINC000301379416 336303545 /nfs/dbraw/zinc/30/35/45/336303545.db2.gz ZMPQHEBGELWJEP-LJQANCHMSA-N 0 3 316.408 3.821 20 30 DHEDHN N#Cc1cccc(CC[NH2+]Cc2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000352888559 336342259 /nfs/dbraw/zinc/34/22/59/336342259.db2.gz HZZGFHUDNHSHDA-UHFFFAOYSA-N 0 3 320.314 3.615 20 30 DHEDHN CC(=O)c1ccc(C#N)c(NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000302077170 336347253 /nfs/dbraw/zinc/34/72/53/336347253.db2.gz AGPOUHUYVOWBSU-HNNXBMFYSA-N 0 3 321.424 3.693 20 30 DHEDHN CC(=O)c1ccc(C#N)c(NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000302095380 336348149 /nfs/dbraw/zinc/34/81/49/336348149.db2.gz IUTGVWKVPUISJS-HXUWFJFHSA-N 0 3 321.424 3.784 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000352891545 336356968 /nfs/dbraw/zinc/35/69/68/336356968.db2.gz KGAPSDZOTIHZRC-TZMCWYRMSA-N 0 3 301.390 3.580 20 30 DHEDHN CCCN(CCN1CCCC1)Cc1ccc(C#N)cc1Cl ZINC000352893895 336365429 /nfs/dbraw/zinc/36/54/29/336365429.db2.gz PUACOCKTPYBCHZ-UHFFFAOYSA-N 0 3 305.853 3.519 20 30 DHEDHN C[C@H]1C[C@@H](Nc2c(C#N)cccc2C#N)CN1Cc1ccccc1 ZINC000302898412 336373764 /nfs/dbraw/zinc/37/37/64/336373764.db2.gz RTCGRLZDLMZRRC-HNAYVOBHSA-N 0 3 316.408 3.505 20 30 DHEDHN C=C(C)CN(CCN1CCC(C)CC1)Cc1cnn(C(C)C)c1 ZINC000352903838 336375629 /nfs/dbraw/zinc/37/56/29/336375629.db2.gz SCJJTIFWLYNDHS-UHFFFAOYSA-N 0 3 318.509 3.574 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1cc(OC)cc(OC)c1 ZINC000352930248 336377847 /nfs/dbraw/zinc/37/78/47/336377847.db2.gz JLQXLQVPCZJNHU-UHFFFAOYSA-N 0 3 301.386 3.528 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1ccc(OC)c(OC)c1 ZINC000352998520 336381616 /nfs/dbraw/zinc/38/16/16/336381616.db2.gz PPPQCJXUSZAWGK-UHFFFAOYSA-N 0 3 301.386 3.528 20 30 DHEDHN CC[C@@H](NCc1cc(C#N)cs1)c1ccc(OC)c(OC)c1 ZINC000353043743 336389223 /nfs/dbraw/zinc/38/92/23/336389223.db2.gz CQPBDRLPPXUWIM-OAHLLOKOSA-N 0 3 316.426 3.878 20 30 DHEDHN CC[C@@H](CC#N)NCCCC(=O)Nc1c(C)cc(C)cc1C ZINC000582249152 336394161 /nfs/dbraw/zinc/39/41/61/336394161.db2.gz GTUIAPXWPQLWHK-INIZCTEOSA-N 0 3 301.434 3.612 20 30 DHEDHN CN(C)[C@H](CNc1c(F)cc(C#N)cc1F)c1cccc(F)c1 ZINC000111220989 336397701 /nfs/dbraw/zinc/39/77/01/336397701.db2.gz XWPJAJZVPYLIHP-MRXNPFEDSA-N 0 3 319.330 3.690 20 30 DHEDHN C=C(CN[C@@H](C)c1ccccc1-n1ccnn1)c1ccccc1 ZINC000353504582 336421143 /nfs/dbraw/zinc/42/11/43/336421143.db2.gz SALLWGLWWHVBBR-INIZCTEOSA-N 0 3 304.397 3.631 20 30 DHEDHN Cc1c(CN[C@H]2CCc3ccc(C#N)cc32)cccc1[N+](=O)[O-] ZINC000353597679 336427626 /nfs/dbraw/zinc/42/76/26/336427626.db2.gz QUCDBEIPKDZYHM-KRWDZBQOSA-N 0 3 307.353 3.552 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000354019381 336454499 /nfs/dbraw/zinc/45/44/99/336454499.db2.gz XUJDHZAINPAGSY-IXPVHAAZSA-N 0 3 313.228 3.699 20 30 DHEDHN C=CCC1(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CCC1 ZINC000359546561 336677051 /nfs/dbraw/zinc/67/70/51/336677051.db2.gz QJTKOCBALFGTOY-CABCVRRESA-N 0 3 304.434 3.571 20 30 DHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1C(F)(F)F ZINC000359738579 336685977 /nfs/dbraw/zinc/68/59/77/336685977.db2.gz YZCMPSASOGFWDW-LLVKDONJSA-N 0 3 307.319 3.766 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(OCc3ccccn3)cc2)C1 ZINC000361462640 336757570 /nfs/dbraw/zinc/75/75/70/336757570.db2.gz APAQAGCYHSFUIU-ZWKOTPCHSA-N 0 3 321.424 3.833 20 30 DHEDHN C#Cc1ccc(CN[C@@H](c2ccccc2)C2CCOCC2)cc1 ZINC000368030690 336835962 /nfs/dbraw/zinc/83/59/62/336835962.db2.gz OVKIRGGOZAPUJJ-NRFANRHFSA-N 0 3 305.421 3.925 20 30 DHEDHN C#Cc1ccc(CNC[C@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000370674832 336890743 /nfs/dbraw/zinc/89/07/43/336890743.db2.gz YSAGCXLEBCZYBZ-HNNXBMFYSA-N 0 3 317.392 3.611 20 30 DHEDHN C[C@H](NC[C@@H]1OCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000371541625 336907551 /nfs/dbraw/zinc/90/75/51/336907551.db2.gz CYQDQRQTUFTKSL-YWZLYKJASA-N 0 3 322.408 3.554 20 30 DHEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2/C=C/c2cccs2)cc1 ZINC000375150917 337004523 /nfs/dbraw/zinc/00/45/23/337004523.db2.gz HSRDPWXRIUPQGL-BBSZANLASA-N 0 3 324.449 3.831 20 30 DHEDHN Cc1csc2c1CN(CCCC1(C#N)CCOCC1)CC2 ZINC000375610915 337014479 /nfs/dbraw/zinc/01/44/79/337014479.db2.gz HOQJQHQCAHVNBQ-UHFFFAOYSA-N 0 3 304.459 3.515 20 30 DHEDHN C=CCC[C@@H](CCC)N[C@@H](c1nc(C)no1)C1CCOCC1 ZINC000375889229 337022153 /nfs/dbraw/zinc/02/21/53/337022153.db2.gz HKPDHKGXANTDOM-HZPDHXFCSA-N 0 3 307.438 3.570 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@]3(CCCCO3)C2)cc1 ZINC000376116947 337027576 /nfs/dbraw/zinc/02/75/76/337027576.db2.gz RIDOMXCWXHZPIM-QFBILLFUSA-N 0 3 314.429 3.513 20 30 DHEDHN C[C@H](c1ccccc1)N1CCC(Nc2cc(C#N)ccn2)CC1 ZINC000376205208 337029391 /nfs/dbraw/zinc/02/93/91/337029391.db2.gz NCQFYYSERJKVSW-OAHLLOKOSA-N 0 3 306.413 3.591 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(CCC2)C1 ZINC000123098787 337035476 /nfs/dbraw/zinc/03/54/76/337035476.db2.gz OWISVNBTQLTCKW-HNNXBMFYSA-N 0 3 318.486 3.527 20 30 DHEDHN N#Cc1ccc(CNC2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000376940783 337043873 /nfs/dbraw/zinc/04/38/73/337043873.db2.gz JVVLFIRKKUOQPJ-UHFFFAOYSA-N 0 3 315.804 3.563 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000377688776 337058547 /nfs/dbraw/zinc/05/85/47/337058547.db2.gz CYNPWBQUPHCKGN-DNVCBOLYSA-N 0 3 307.397 3.710 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000360053652 337084294 /nfs/dbraw/zinc/08/42/94/337084294.db2.gz DMOJGDIATYGKHF-FPOVZHCZSA-N 0 3 321.420 3.566 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000583700418 337086054 /nfs/dbraw/zinc/08/60/54/337086054.db2.gz AWNRGNYOADPYJZ-JTQLQIEISA-N 0 3 300.324 3.705 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@@H](c2ccccc2)[C@H](C)CC)CC1 ZINC000172291501 337091119 /nfs/dbraw/zinc/09/11/19/337091119.db2.gz XARHDFLLHJHIDM-VQIMIIECSA-N 0 3 314.473 3.583 20 30 DHEDHN N#Cc1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)c(F)c1 ZINC000173836083 337138529 /nfs/dbraw/zinc/13/85/29/337138529.db2.gz RTXFIELRFUXZJV-KRWDZBQOSA-N 0 3 302.393 3.621 20 30 DHEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000176129497 337150298 /nfs/dbraw/zinc/15/02/98/337150298.db2.gz DGHOPYOZSOBINT-AEFFLSMTSA-N 0 3 300.446 3.512 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OC)c(F)c2)cc1 ZINC000178530047 337163163 /nfs/dbraw/zinc/16/31/63/337163163.db2.gz GRQTZQYBHLQXOB-CQSZACIVSA-N 0 3 313.372 3.697 20 30 DHEDHN C=CCN1CCC(NC(=O)/C(C)=C/c2ccccc2Cl)CC1 ZINC000178887457 337165238 /nfs/dbraw/zinc/16/52/38/337165238.db2.gz GMEAJVINWDBYKU-BUHFOSPRSA-N 0 3 318.848 3.510 20 30 DHEDHN C=CCOc1cccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000180609701 337176706 /nfs/dbraw/zinc/17/67/06/337176706.db2.gz UJORQVZNALTVQS-APWZRJJASA-N 0 3 311.429 3.531 20 30 DHEDHN C=C(C)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000181043396 337179444 /nfs/dbraw/zinc/17/94/44/337179444.db2.gz APRPCNBVEJIHBP-UHFFFAOYSA-N 0 3 318.424 3.942 20 30 DHEDHN CSC1(CNCC#Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC000582877192 337209089 /nfs/dbraw/zinc/20/90/89/337209089.db2.gz JVYJFXKHENXRFU-UHFFFAOYSA-N 0 3 313.388 3.932 20 30 DHEDHN CC(C)n1cccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000190958584 337291797 /nfs/dbraw/zinc/29/17/97/337291797.db2.gz WQMIWDOPESEKSZ-CYBMUJFWSA-N 0 3 304.353 3.502 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(-n2cccn2)cc1 ZINC000192160363 337303390 /nfs/dbraw/zinc/30/33/90/337303390.db2.gz VWYJPCZPLQGDHT-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000583720356 337317660 /nfs/dbraw/zinc/31/76/60/337317660.db2.gz FIXRIGLWFDROCI-GOSISDBHSA-N 0 3 311.429 3.928 20 30 DHEDHN Cc1cc(F)ccc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000584553507 337360609 /nfs/dbraw/zinc/36/06/09/337360609.db2.gz UYBDVFKPCRIYGA-UHFFFAOYSA-N 0 3 312.388 3.654 20 30 DHEDHN N#Cc1cccc(CNCc2c[nH]nc2-c2c(F)cccc2F)c1 ZINC000130587768 337433587 /nfs/dbraw/zinc/43/35/87/337433587.db2.gz GPZXEYJOINJZES-UHFFFAOYSA-N 0 3 324.334 3.516 20 30 DHEDHN CC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CC1(C)C ZINC000419327111 337479454 /nfs/dbraw/zinc/47/94/54/337479454.db2.gz ZBWAXQIFASDSSL-ZIAGYGMSSA-N 0 3 319.474 3.589 20 30 DHEDHN CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000421339226 337527279 /nfs/dbraw/zinc/52/72/79/337527279.db2.gz FVBBMKYWMZOTEM-KPZWWZAWSA-N 0 3 316.351 3.702 20 30 DHEDHN CCOc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)CCO2 ZINC000248999638 337569171 /nfs/dbraw/zinc/56/91/71/337569171.db2.gz QCRDKTKKDNTOTE-CKEIUWERSA-N 0 3 300.402 3.581 20 30 DHEDHN C=CCOc1cccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000264526495 337632722 /nfs/dbraw/zinc/63/27/22/337632722.db2.gz FESSRCDVTPNGOY-KRWDZBQOSA-N 0 3 310.397 3.519 20 30 DHEDHN C[C@H](NC[C@H]1CC12CCSCC2)c1ccc(C#N)cc1F ZINC000421868963 337656871 /nfs/dbraw/zinc/65/68/71/337656871.db2.gz DGIHMOOWYWZWAL-GXTWGEPZSA-N 0 3 304.434 3.881 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cc2ccccc2s1 ZINC000527485127 337744443 /nfs/dbraw/zinc/74/44/43/337744443.db2.gz UBYOTILOFIIVFO-AWEZNQCLSA-N 0 3 316.470 3.977 20 30 DHEDHN C=CCn1cc(CN[C@H]2CCC[C@@H](c3ccccc3)CC2)nn1 ZINC000527718684 337758772 /nfs/dbraw/zinc/75/87/72/337758772.db2.gz FKDHYFONDXFTRZ-MSOLQXFVSA-N 0 3 310.445 3.670 20 30 DHEDHN CC(C)Cc1ccccc1CNCc1cnc2ccc(C#N)cn12 ZINC000527732251 337759437 /nfs/dbraw/zinc/75/94/37/337759437.db2.gz AGNTYVSBTCAAEN-UHFFFAOYSA-N 0 3 318.424 3.694 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccccc1Br ZINC000424139561 337759801 /nfs/dbraw/zinc/75/98/01/337759801.db2.gz NOQCOCQGUCMROQ-HUBLWGQQSA-N 0 3 310.235 3.691 20 30 DHEDHN CC(C)(C)OC(=O)C(C)(C)CCNCc1ccc(C#N)c(F)c1 ZINC000424193474 337805642 /nfs/dbraw/zinc/80/56/42/337805642.db2.gz VVYITHBWCIFNFX-UHFFFAOYSA-N 0 3 320.408 3.545 20 30 DHEDHN C[C@@H](COc1ccc(F)cc1F)NCc1ccc(C#N)cc1F ZINC000533311386 337840828 /nfs/dbraw/zinc/84/08/28/337840828.db2.gz RZTSVYBUFDSTIB-NSHDSACASA-N 0 3 320.314 3.533 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCCC)C2CCC2)CC1 ZINC000119947575 337868108 /nfs/dbraw/zinc/86/81/08/337868108.db2.gz SXPLKTOHJWFCLY-SFHVURJKSA-N 0 3 321.509 3.685 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000424650089 337942924 /nfs/dbraw/zinc/94/29/24/337942924.db2.gz UCUSYJPPFKRTOE-OAHLLOKOSA-N 0 3 302.462 3.834 20 30 DHEDHN C=CCOc1ccccc1CNCCc1cc(F)cc(F)c1 ZINC000315275309 337983748 /nfs/dbraw/zinc/98/37/48/337983748.db2.gz BFZVUHBFQAWUNR-UHFFFAOYSA-N 0 3 303.352 3.862 20 30 DHEDHN N#Cc1ccc(OCCN(CCC(F)(F)F)CC2CC2)cc1 ZINC000084137587 338000282 /nfs/dbraw/zinc/00/02/82/338000282.db2.gz HTXRPNSNKKLWOC-UHFFFAOYSA-N 0 3 312.335 3.601 20 30 DHEDHN CCCc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428786781 338060972 /nfs/dbraw/zinc/06/09/72/338060972.db2.gz WZHRYDBCZVEDCM-IBGZPJMESA-N 0 3 321.424 3.559 20 30 DHEDHN C=CCN(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000428789250 338061097 /nfs/dbraw/zinc/06/10/97/338061097.db2.gz YGJNDUBRXOODBO-OAQYLSRUSA-N 0 3 321.468 3.734 20 30 DHEDHN CC(C)c1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428787394 338061117 /nfs/dbraw/zinc/06/11/17/338061117.db2.gz YKMXXGRBAFINCS-LJQANCHMSA-N 0 3 321.424 3.730 20 30 DHEDHN CCCc1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430185367 338100017 /nfs/dbraw/zinc/10/00/17/338100017.db2.gz HFRVDYKLQDURRJ-IBGZPJMESA-N 0 3 321.424 3.559 20 30 DHEDHN C/C(=C\c1ccccc1)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430183337 338100076 /nfs/dbraw/zinc/10/00/76/338100076.db2.gz AKANXRMBVXRALA-KZIRBZLESA-N 0 3 319.408 3.510 20 30 DHEDHN Cc1ccc(SC2(CNC(=O)C(C)C#N)CCCC2)cc1 ZINC000431419632 338130268 /nfs/dbraw/zinc/13/02/68/338130268.db2.gz PVQFILJAWJQTJK-AWEZNQCLSA-N 0 3 302.443 3.676 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(Cl)s1 ZINC000433229287 338186725 /nfs/dbraw/zinc/18/67/25/338186725.db2.gz BUVSNKNUXUYDMD-ZDUSSCGKSA-N 0 3 318.829 3.790 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000433299448 338190374 /nfs/dbraw/zinc/19/03/74/338190374.db2.gz BTVBTWKODIRVTE-VQTJNVASSA-N 0 3 318.420 3.775 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000433315053 338191825 /nfs/dbraw/zinc/19/18/25/338191825.db2.gz XBASKMGTDGWICO-MOPGFXCFSA-N 0 3 310.441 3.940 20 30 DHEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000434307213 338214209 /nfs/dbraw/zinc/21/42/09/338214209.db2.gz KZGZGXHRPMLECB-LSDHHAIUSA-N 0 3 308.381 3.602 20 30 DHEDHN CN(CCOc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000154732902 338251142 /nfs/dbraw/zinc/25/11/42/338251142.db2.gz LKCMBSQUMCVWCK-UHFFFAOYSA-N 0 3 324.424 3.880 20 30 DHEDHN C=CCN(C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000154791986 338252789 /nfs/dbraw/zinc/25/27/89/338252789.db2.gz LGNPDNYZSDWUSR-UHFFFAOYSA-N 0 3 303.427 3.954 20 30 DHEDHN C[C@@H](Cc1cccs1)NC(=O)C(C#N)CCc1ccccc1 ZINC000435929760 338253002 /nfs/dbraw/zinc/25/30/02/338253002.db2.gz UEMLXIXGCCYODR-HOCLYGCPSA-N 0 3 312.438 3.568 20 30 DHEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2c(C#N)cccc2C#N)C1 ZINC000436317714 338268957 /nfs/dbraw/zinc/26/89/57/338268957.db2.gz NFHYXSKRFZUKBR-BEFAXECRSA-N 0 3 316.408 3.677 20 30 DHEDHN CN(CC#Cc1ccc(F)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000437571058 338313805 /nfs/dbraw/zinc/31/38/05/338313805.db2.gz RWOAXOBKRMSKEE-OAQYLSRUSA-N 0 3 322.427 3.778 20 30 DHEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000437577344 338314089 /nfs/dbraw/zinc/31/40/89/338314089.db2.gz JVBFYVOTFVFFQN-UHFFFAOYSA-N 0 3 309.413 3.620 20 30 DHEDHN COc1ccc(C#N)cc1CN1C[C@H](c2ccccc2)C[C@H]1C ZINC000437849363 338323260 /nfs/dbraw/zinc/32/32/60/338323260.db2.gz GCVOFULZAPKVRI-CRAIPNDOSA-N 0 3 306.409 3.945 20 30 DHEDHN Fc1ccc(C#CCN(C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000438188330 338335784 /nfs/dbraw/zinc/33/57/84/338335784.db2.gz JBKGZEFQTJEJJI-LJQANCHMSA-N 0 3 301.405 3.601 20 30 DHEDHN Cc1oc(NC(=O)CN(CC(C)C)CC(C)(C)C)c(C#N)c1C ZINC000438589829 338349291 /nfs/dbraw/zinc/34/92/91/338349291.db2.gz QTGQRFHLFNITJE-UHFFFAOYSA-N 0 3 319.449 3.711 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439325777 338367343 /nfs/dbraw/zinc/36/73/43/338367343.db2.gz SNTUWHBDCXDKOE-MRXNPFEDSA-N 0 3 311.828 3.928 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2n2cccn2)c(Cl)c1 ZINC000439442262 338369644 /nfs/dbraw/zinc/36/96/44/338369644.db2.gz SDUUDKYXTRUMCN-SJORKVTESA-N 0 3 314.820 3.682 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1Cl)[C@H]1COc2ccccc21 ZINC000439441363 338369684 /nfs/dbraw/zinc/36/96/84/338369684.db2.gz JLDRMTQJKQNWQA-BLLLJJGKSA-N 0 3 312.800 3.866 20 30 DHEDHN CN(CC#Cc1ccc(F)cc1)CCCOCc1ccccc1 ZINC000439482660 338371205 /nfs/dbraw/zinc/37/12/05/338371205.db2.gz XMBAUYOWLOKVHO-UHFFFAOYSA-N 0 3 311.400 3.716 20 30 DHEDHN N#C[C@H]1CC[C@H](NCc2ccnc(Oc3ccccc3F)c2)C1 ZINC000442858104 338435366 /nfs/dbraw/zinc/43/53/66/338435366.db2.gz OCWIQCKIEOSCBP-ZFWWWQNUSA-N 0 3 311.360 3.795 20 30 DHEDHN Cc1cc(CN2CCSCC2)ccc1N[C@H]1CC[C@H](C#N)C1 ZINC000442859903 338435450 /nfs/dbraw/zinc/43/54/50/338435450.db2.gz VVBPSIPHUWVSEY-RDJZCZTQSA-N 0 3 315.486 3.648 20 30 DHEDHN C=CCCC[C@@H](C)NC(=O)Nc1ccccc1CCN(C)C ZINC000446586708 338530914 /nfs/dbraw/zinc/53/09/14/338530914.db2.gz PCBPRJCJSAVJBI-OAHLLOKOSA-N 0 3 303.450 3.657 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(Cl)c1 ZINC000450862208 338709126 /nfs/dbraw/zinc/70/91/26/338709126.db2.gz OOUKFHARPRXXDT-DJIMGWMZSA-N 0 3 316.832 3.649 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CCCC1 ZINC000451678870 338741823 /nfs/dbraw/zinc/74/18/23/338741823.db2.gz XNGOBPLVLLODRH-HZPDHXFCSA-N 0 3 318.461 3.962 20 30 DHEDHN C=CCC[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccco1 ZINC000453213111 338808792 /nfs/dbraw/zinc/80/87/92/338808792.db2.gz BQXJWVFZEBHDSK-DLBZAZTESA-N 0 3 303.377 3.619 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(C)ccc1OC(F)F ZINC000453340571 338827407 /nfs/dbraw/zinc/82/74/07/338827407.db2.gz HOVSMSUVNSZKSX-YUELXQCFSA-N 0 3 311.372 3.981 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccc(OCC)c(OCC)c1 ZINC000453351281 338829693 /nfs/dbraw/zinc/82/96/93/338829693.db2.gz JJWOJPXEGNCBCW-BBWFWOEESA-N 0 3 319.445 3.868 20 30 DHEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000453379570 338834988 /nfs/dbraw/zinc/83/49/88/338834988.db2.gz YWXZWFVODBSTPP-DZGCQCFKSA-N 0 3 303.402 3.809 20 30 DHEDHN N#Cc1cccc(CN2CCC3(CC2)OCCc2ccccc23)c1 ZINC000453572777 338848544 /nfs/dbraw/zinc/84/85/44/338848544.db2.gz HUCKSNRQVFQYCS-UHFFFAOYSA-N 0 3 318.420 3.622 20 30 DHEDHN N#CCCC[C@H](NCc1cnc(C2CC2)nc1)c1ccccc1 ZINC000459598463 339038093 /nfs/dbraw/zinc/03/80/93/339038093.db2.gz WNYCAIBEEFTQSG-SFHVURJKSA-N 0 3 306.413 3.879 20 30 DHEDHN COc1ccc(C)cc1[C@@H](C)NCCOc1cccc(C#N)c1 ZINC000459668426 339041865 /nfs/dbraw/zinc/04/18/65/339041865.db2.gz QELBTXFUYPDEDZ-OAHLLOKOSA-N 0 3 310.397 3.605 20 30 DHEDHN CCOC[C@H]1CCCCN1Cc1cccc(OCCCC#N)c1 ZINC000459681454 339042881 /nfs/dbraw/zinc/04/28/81/339042881.db2.gz XCZMVWHFGAWTQM-GOSISDBHSA-N 0 3 316.445 3.760 20 30 DHEDHN CC(C)(CC#N)CN[C@H]1CCc2c1cccc2Br ZINC000459730141 339044791 /nfs/dbraw/zinc/04/47/91/339044791.db2.gz LNMMVDLQOPCXSQ-AWEZNQCLSA-N 0 3 307.235 3.966 20 30 DHEDHN CCC[C@@H]([NH2+][C@@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N)C1CCC1 ZINC000459807973 339049440 /nfs/dbraw/zinc/04/94/40/339049440.db2.gz RSGMZZZOSGJNTP-BLLLJJGKSA-N 0 3 317.433 3.654 20 30 DHEDHN CC(C)O[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000462847413 339094093 /nfs/dbraw/zinc/09/40/93/339094093.db2.gz XDFFLBQDOHQXLQ-CSMYWGQOSA-N 0 3 304.409 3.940 20 30 DHEDHN C=CCC[C@H](CCC)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462855601 339094463 /nfs/dbraw/zinc/09/44/63/339094463.db2.gz NZSUXPWOXRREFR-HKUYNNGSSA-N 0 3 302.462 3.800 20 30 DHEDHN C=CCOc1ccc(CNC[C@](C)(OC)C2CC2)cc1Cl ZINC000462909547 339097511 /nfs/dbraw/zinc/09/75/11/339097511.db2.gz IJCLWRJQRFZBDR-KRWDZBQOSA-N 0 3 309.837 3.810 20 30 DHEDHN C=CC[C@@H](CO)NCc1ccc(Oc2cccc(F)c2)cc1 ZINC000466389629 339202043 /nfs/dbraw/zinc/20/20/43/339202043.db2.gz RJIWKMDHQINOKU-INIZCTEOSA-N 0 3 301.361 3.645 20 30 DHEDHN CC/C=C\CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000466824595 339218266 /nfs/dbraw/zinc/21/82/66/339218266.db2.gz SMYHOVHBPMNTRI-ARJAWSKDSA-N 0 3 320.440 3.585 20 30 DHEDHN C=C(C)COc1cc(CN2CCCO[C@H](CC)C2)ccc1OC ZINC000467568628 339243126 /nfs/dbraw/zinc/24/31/26/339243126.db2.gz VRFHSKRHKXFXJX-QGZVFWFLSA-N 0 3 319.445 3.651 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000468104028 339254125 /nfs/dbraw/zinc/25/41/25/339254125.db2.gz NRHROQUHGQKIMK-FQEVSTJZSA-N 0 3 314.473 3.542 20 30 DHEDHN CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000468269755 339258233 /nfs/dbraw/zinc/25/82/33/339258233.db2.gz HMIWWYVXGOMUAZ-LJQANCHMSA-N 0 3 323.415 3.798 20 30 DHEDHN COc1ccccc1C[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000468280390 339258728 /nfs/dbraw/zinc/25/87/28/339258728.db2.gz HAGDJABCUCOTDI-GOSISDBHSA-N 0 3 324.399 3.913 20 30 DHEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000468589914 339266880 /nfs/dbraw/zinc/26/68/80/339266880.db2.gz VSWCHNBLSCDYDQ-MEDUHNTESA-N 0 3 316.763 3.844 20 30 DHEDHN CC(C#N)C(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000468713984 339269240 /nfs/dbraw/zinc/26/92/40/339269240.db2.gz KQSSUXQVYJSEJT-KBPBESRZSA-N 0 3 312.438 3.842 20 30 DHEDHN C[C@@H]1CCCC[C@@H]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470962802 339333196 /nfs/dbraw/zinc/33/31/96/339333196.db2.gz YAOKJHJTJGYSGN-ATZDWAIDSA-N 0 3 323.440 3.573 20 30 DHEDHN C[C@@H]1CCCC[C@@H]1CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470962804 339333278 /nfs/dbraw/zinc/33/32/78/339333278.db2.gz YAOKJHJTJGYSGN-LZQZEXGQSA-N 0 3 323.440 3.573 20 30 DHEDHN C=CCCCCN[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000471888427 339356820 /nfs/dbraw/zinc/35/68/20/339356820.db2.gz QJSLAXMLLFKINY-GOSISDBHSA-N 0 3 300.446 3.686 20 30 DHEDHN Cc1ccc2[nH]c(CNCCOc3ccc(C#N)cc3)cc2c1C ZINC000472058247 339361427 /nfs/dbraw/zinc/36/14/27/339361427.db2.gz FGVRLTTWTFALPS-UHFFFAOYSA-N 0 3 319.408 3.825 20 30 DHEDHN C=CCCCCNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000472078249 339362821 /nfs/dbraw/zinc/36/28/21/339362821.db2.gz NASXEDLSWQVQSB-UHFFFAOYSA-N 0 3 308.788 3.506 20 30 DHEDHN CN(CCOc1ccc(C#N)cc1)Cc1cc2ccccc2o1 ZINC000472283206 339368776 /nfs/dbraw/zinc/36/87/76/339368776.db2.gz IHAJRUBXKFTHGS-UHFFFAOYSA-N 0 3 306.365 3.815 20 30 DHEDHN C=CCCCCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000473919708 339395145 /nfs/dbraw/zinc/39/51/45/339395145.db2.gz PDAQTFLVOCMQFE-MRXNPFEDSA-N 0 3 317.477 3.771 20 30 DHEDHN C=CCN1CCC(NC(=O)CC(C)(C)C2CCCCC2)CC1 ZINC000475638245 339457998 /nfs/dbraw/zinc/45/79/98/339457998.db2.gz NISCRTIUTSDNIL-UHFFFAOYSA-N 0 3 306.494 3.750 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000480712206 339584421 /nfs/dbraw/zinc/58/44/21/339584421.db2.gz INPSVSWDRLWEFA-BVGQSLNGSA-N 0 3 304.409 3.942 20 30 DHEDHN C#C[C@@H](CC)NCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000491296512 339856946 /nfs/dbraw/zinc/85/69/46/339856946.db2.gz MIZCSKJQIKAALZ-INIZCTEOSA-N 0 3 308.429 3.562 20 30 DHEDHN C[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000491809982 339883483 /nfs/dbraw/zinc/88/34/83/339883483.db2.gz JMJGAGSOKYGISI-ABAIWWIYSA-N 0 3 307.235 3.989 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000500236937 340053674 /nfs/dbraw/zinc/05/36/74/340053674.db2.gz INWNAOTUAVDLSM-LSDHHAIUSA-N 0 3 320.502 3.872 20 30 DHEDHN C=CCCC[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000501562810 340083716 /nfs/dbraw/zinc/08/37/16/340083716.db2.gz BZKOGSBTOJQWAH-LZLYRXPVSA-N 0 3 317.477 3.722 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000501604506 340084790 /nfs/dbraw/zinc/08/47/90/340084790.db2.gz HYYXITNWROWIOL-FQEVSTJZSA-N 0 3 314.473 3.760 20 30 DHEDHN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CCCC(C)(C)C#N ZINC000501778895 340088450 /nfs/dbraw/zinc/08/84/50/340088450.db2.gz VYVIBORJNYUOBF-QZTJIDSGSA-N 0 3 313.489 3.911 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](CC)C1)C(C)C ZINC000503414633 340127706 /nfs/dbraw/zinc/12/77/06/340127706.db2.gz YHHNZXPFAPMHGG-QZTJIDSGSA-N 0 3 321.509 3.517 20 30 DHEDHN C=CC[C@H](CC)NC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000504088684 340140618 /nfs/dbraw/zinc/14/06/18/340140618.db2.gz CVGPJOAYUVNNCU-SOLBZPMBSA-N 0 3 317.477 3.640 20 30 DHEDHN C=CCCc1ccccc1NC(=O)NCCN1CCC(C)CC1 ZINC000505016466 340158817 /nfs/dbraw/zinc/15/88/17/340158817.db2.gz HRMJUZKXCBGMBV-UHFFFAOYSA-N 0 3 315.461 3.659 20 30 DHEDHN C=CCCc1ccccc1NC(=O)NCCN1CCCC[C@@H]1C ZINC000505023548 340159114 /nfs/dbraw/zinc/15/91/14/340159114.db2.gz MRARMIHEJZLNDB-INIZCTEOSA-N 0 3 315.461 3.801 20 30 DHEDHN CN(Cc1cccc(C#N)c1)Cc1ccccc1-c1ccnn1C ZINC000507187433 340211863 /nfs/dbraw/zinc/21/18/63/340211863.db2.gz KBTMXEZXDUCLTB-UHFFFAOYSA-N 0 3 316.408 3.591 20 30 DHEDHN CC(C#N)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000509544919 340272948 /nfs/dbraw/zinc/27/29/48/340272948.db2.gz XOMCUTCXUAXJEJ-NSHDSACASA-N 0 3 310.319 3.751 20 30 DHEDHN C=CC[C@H](C)N[C@H](C)c1ccccc1I ZINC000309013061 340297980 /nfs/dbraw/zinc/29/79/80/340297980.db2.gz SOHSKRLAMQTCOO-WDEREUQCSA-N 0 3 315.198 3.906 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510555934 340302565 /nfs/dbraw/zinc/30/25/65/340302565.db2.gz WOMCWJQUMRJKSZ-HHXXYDBFSA-N 0 3 302.462 3.705 20 30 DHEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1c(F)cc(C#N)cc1F ZINC000303444013 340325828 /nfs/dbraw/zinc/32/58/28/340325828.db2.gz IISSFVKAAXWVRU-JHJVBQTASA-N 0 3 307.388 3.615 20 30 DHEDHN CCC[C@@]1(NCC#Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000512259797 340354413 /nfs/dbraw/zinc/35/44/13/340354413.db2.gz LDJWMWBNBNTHBA-MRXNPFEDSA-N 0 3 311.347 3.606 20 30 DHEDHN CC(C)C[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000512287700 340355485 /nfs/dbraw/zinc/35/54/85/340355485.db2.gz JXHUYJPSKUCFPZ-FVQBIDKESA-N 0 3 304.409 3.942 20 30 DHEDHN C[C@H](O)C[C@@H]1CCCCCN1CC#Cc1ccc(Cl)cc1 ZINC000512440042 340361888 /nfs/dbraw/zinc/36/18/88/340361888.db2.gz ZMUNSMQBJMPRAY-YJBOKZPZSA-N 0 3 305.849 3.707 20 30 DHEDHN C[C@H](O)C[C@@H]1CCCCCN1CC#Cc1cccc(Cl)c1 ZINC000512464338 340362800 /nfs/dbraw/zinc/36/28/00/340362800.db2.gz WNHMMWGFYFRHJH-YJBOKZPZSA-N 0 3 305.849 3.707 20 30 DHEDHN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512610540 340369019 /nfs/dbraw/zinc/36/90/19/340369019.db2.gz CBDSAEGQAVOHKY-GKCIPKSASA-N 0 3 323.415 3.793 20 30 DHEDHN CCC1(CC)[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C[C@@H]1OC ZINC000512620388 340369332 /nfs/dbraw/zinc/36/93/32/340369332.db2.gz QFBKXAJLTKNITI-VUCTXSBTSA-N 0 3 304.409 3.942 20 30 DHEDHN CC(C)[C@H]1OCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512636053 340370382 /nfs/dbraw/zinc/37/03/82/340370382.db2.gz JOVUPMICKHJDNH-DHSIGJKJSA-N 0 3 304.409 3.799 20 30 DHEDHN C[C@H](NCCc1c(F)cccc1F)c1ccc(C#N)cc1F ZINC000512642702 340370569 /nfs/dbraw/zinc/37/05/69/340370569.db2.gz RTYSUWKCDRPLAC-NSHDSACASA-N 0 3 304.315 3.869 20 30 DHEDHN C[C@@H](NCCOc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000512649944 340370988 /nfs/dbraw/zinc/37/09/88/340370988.db2.gz VTNHWCAXTUWRAH-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN CC(C)(COCc1ccccc1)NCc1ccc(C#N)c(F)c1 ZINC000403984704 340371690 /nfs/dbraw/zinc/37/16/90/340371690.db2.gz BWEFCQILRQGFIT-UHFFFAOYSA-N 0 3 312.388 3.782 20 30 DHEDHN COC[C@@H](Cc1ccccc1)N[C@H](C)c1ccc(C#N)cc1F ZINC000512672228 340372279 /nfs/dbraw/zinc/37/22/79/340372279.db2.gz JIVVKUQHEZBZOC-RHSMWYFYSA-N 0 3 312.388 3.606 20 30 DHEDHN COc1ccccc1C[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000512677416 340372572 /nfs/dbraw/zinc/37/25/72/340372572.db2.gz IVULFLTVLOCBLU-GOSISDBHSA-N 0 3 324.399 3.913 20 30 DHEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccc2n[nH]cc2c1 ZINC000513411168 340406223 /nfs/dbraw/zinc/40/62/23/340406223.db2.gz KNSYBYFFWTVJAH-CYBMUJFWSA-N 0 3 309.800 3.919 20 30 DHEDHN Cn1cc(CNCc2cccc(Oc3ccccc3)c2)cc1C#N ZINC000190763997 340547047 /nfs/dbraw/zinc/54/70/47/340547047.db2.gz FQODMDNKWGAQMJ-UHFFFAOYSA-N 0 3 317.392 3.979 20 30 DHEDHN CC(C)(C)[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000195608027 340582784 /nfs/dbraw/zinc/58/27/84/340582784.db2.gz SEMMAPHUCJMRQZ-LJQANCHMSA-N 0 3 321.424 3.874 20 30 DHEDHN Cc1ccc(C#N)cc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000064070762 340801916 /nfs/dbraw/zinc/80/19/16/340801916.db2.gz LILURBYDNOYTHI-UHFFFAOYSA-N 0 3 319.408 3.715 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccccc1C)C(C)C ZINC000539260030 340878883 /nfs/dbraw/zinc/87/88/83/340878883.db2.gz OIWLHYRSWBCDEF-IBGZPJMESA-N 0 3 302.462 3.706 20 30 DHEDHN Clc1ccc(C#CCN[C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000128574904 340898463 /nfs/dbraw/zinc/89/84/63/340898463.db2.gz AGLYOIFCFSXQLF-MSOLQXFVSA-N 0 3 313.832 3.662 20 30 DHEDHN Clc1cccc(C#CCN[C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000128598310 340899490 /nfs/dbraw/zinc/89/94/90/340899490.db2.gz TUBRJZBOANNASF-QZTJIDSGSA-N 0 3 313.832 3.662 20 30 DHEDHN C[C@]1(NCC#Cc2ccc(C(F)(F)F)cc2)CCO[C@@H]1C1CC1 ZINC000542312770 341004128 /nfs/dbraw/zinc/00/41/28/341004128.db2.gz CXXXKDBNHPIOHH-SJORKVTESA-N 0 3 323.358 3.604 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2ccc(C)cc2)C1 ZINC000542317994 341004434 /nfs/dbraw/zinc/00/44/34/341004434.db2.gz PKNMMZSUICZTQF-SFHVURJKSA-N 0 3 306.409 3.865 20 30 DHEDHN N#CCC1CCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000542854717 341023743 /nfs/dbraw/zinc/02/37/43/341023743.db2.gz ULHREFSIELOLSU-UHFFFAOYSA-N 0 3 321.424 3.786 20 30 DHEDHN CCN(CC(=O)Nc1ccccc1SCC#N)[C@H](C)C(C)C ZINC000072635933 341094678 /nfs/dbraw/zinc/09/46/78/341094678.db2.gz LBZXMXSKDKFMHU-CQSZACIVSA-N 0 3 319.474 3.607 20 30 DHEDHN CCC(CC)CN(CCC#N)C(=O)c1cccc(CN(C)C)c1 ZINC000073428664 341116571 /nfs/dbraw/zinc/11/65/71/341116571.db2.gz KDSKUUVAHKLAOT-UHFFFAOYSA-N 0 3 315.461 3.540 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@](C)(CCC)C2)CC1 ZINC000074129958 341129473 /nfs/dbraw/zinc/12/94/73/341129473.db2.gz MSRAJNLYMCYAAI-IBGZPJMESA-N 0 3 321.509 3.639 20 30 DHEDHN C=C(C)COCCNCc1ccc(Oc2cccnc2)c(C)c1 ZINC000134509158 341216761 /nfs/dbraw/zinc/21/67/61/341216761.db2.gz VODIDJNLDUWODZ-UHFFFAOYSA-N 0 3 312.413 3.865 20 30 DHEDHN C[C@H](Cc1ccsc1)N1CCC(C#N)(c2ccccn2)CC1 ZINC000548792619 341275925 /nfs/dbraw/zinc/27/59/25/341275925.db2.gz JVLLWSQPAAKEJW-OAHLLOKOSA-N 0 3 311.454 3.631 20 30 DHEDHN CCN(CCOc1ccc(C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000080931190 341276822 /nfs/dbraw/zinc/27/68/22/341276822.db2.gz NVXJYRQLFPMSAE-HNNXBMFYSA-N 0 3 310.397 3.726 20 30 DHEDHN C=CCCN[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549039913 341284513 /nfs/dbraw/zinc/28/45/13/341284513.db2.gz KSZQTGYHQWETJL-NVXWUHKLSA-N 0 3 324.827 3.695 20 30 DHEDHN CCc1nc2cc(CN[C@H]3CC[C@H](C#N)C3)ccc2n1C1CC1 ZINC000549610288 341298873 /nfs/dbraw/zinc/29/88/73/341298873.db2.gz JYDVXFSWJNRAPV-ZFWWWQNUSA-N 0 3 308.429 3.715 20 30 DHEDHN C[C@@H](CNC(=O)C(C#N)CCc1ccccc1)c1ccccc1 ZINC000549808032 341303613 /nfs/dbraw/zinc/30/36/13/341303613.db2.gz QCPANLWGJILQGM-QFBILLFUSA-N 0 3 306.409 3.679 20 30 DHEDHN C=CCOCCN[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000549928294 341306984 /nfs/dbraw/zinc/30/69/84/341306984.db2.gz NCQSAUWLDBJVNZ-OAHLLOKOSA-N 0 3 319.445 3.870 20 30 DHEDHN Cc1cc(CNCc2ccc(OC(F)F)c(F)c2)ccc1C#N ZINC000550275025 341314195 /nfs/dbraw/zinc/31/41/95/341314195.db2.gz NLHLOTVJXDSOCX-UHFFFAOYSA-N 0 3 320.314 3.897 20 30 DHEDHN CC[C@H](CNCc1cc(C#N)cs1)Oc1cccc(F)c1 ZINC000084674779 341361561 /nfs/dbraw/zinc/36/15/61/341361561.db2.gz IQSQPMPHTUJMAW-CQSZACIVSA-N 0 3 304.390 3.706 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000565442087 341527606 /nfs/dbraw/zinc/52/76/06/341527606.db2.gz ASANCBJDJWLGTM-RHSMWYFYSA-N 0 3 320.502 3.730 20 30 DHEDHN CC1(C)CCCc2cc(C#N)c(NC3CCN(C4CC4)CC3)nc21 ZINC000565869274 341540944 /nfs/dbraw/zinc/54/09/44/341540944.db2.gz AORAWDZSVORGGA-UHFFFAOYSA-N 0 3 324.472 3.606 20 30 DHEDHN Cc1cccc(O[C@@H]2CCCC[C@H]2NCc2ccc(C#N)cn2)c1 ZINC000566415288 341557137 /nfs/dbraw/zinc/55/71/37/341557137.db2.gz AMQSRULQZUGEOC-WOJBJXKFSA-N 0 3 321.424 3.742 20 30 DHEDHN Cc1ccc([C@H](Cn2ccnc2)N[C@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000567317029 341594685 /nfs/dbraw/zinc/59/46/85/341594685.db2.gz MZZQMOBPUBBNNV-AOIWGVFYSA-N 0 3 308.429 3.523 20 30 DHEDHN Cc1cccc(O[C@H]2CCCC[C@@H]2NCc2ccc(C#N)o2)c1 ZINC000158773677 341664237 /nfs/dbraw/zinc/66/42/37/341664237.db2.gz HSSCHBPNRQFNIY-OALUTQOASA-N 0 3 310.397 3.940 20 30 DHEDHN N#C[C@H]1CC[C@@H](N2CCC(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000575851301 341810330 /nfs/dbraw/zinc/81/03/30/341810330.db2.gz IIICIWSVIKQSQK-SUMWQHHRSA-N 0 3 316.832 3.927 20 30 DHEDHN C[C@H](CNCc1ccc(C#N)s1)Oc1cccc(Cl)c1 ZINC000176978025 341909096 /nfs/dbraw/zinc/90/90/96/341909096.db2.gz SQSMYLGVHVDSKW-LLVKDONJSA-N 0 3 306.818 3.830 20 30 DHEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000577707618 341930443 /nfs/dbraw/zinc/93/04/43/341930443.db2.gz RFAJWMBERBEEQU-NSHDSACASA-N 0 3 307.825 3.511 20 30 DHEDHN CN(C)C[C@@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000338475809 521826127 /nfs/dbraw/zinc/82/61/27/521826127.db2.gz XTTKQTGBPWEYQN-MRXNPFEDSA-N 0 3 319.861 3.666 20 30 DHEDHN C[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000156607436 524506658 /nfs/dbraw/zinc/50/66/58/524506658.db2.gz XSROUTPCOCQAPT-JLSDUUJJSA-N 0 3 310.397 3.658 20 30 DHEDHN C[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@H]12 ZINC000182477646 524651059 /nfs/dbraw/zinc/65/10/59/524651059.db2.gz LSRKWEHFTWTSTQ-XKQJLSEDSA-N 0 3 322.412 3.619 20 30 DHEDHN C[C@H](Cc1cccc(Br)c1)NCc1ccc(C#N)o1 ZINC000237538414 524705911 /nfs/dbraw/zinc/70/59/11/524705911.db2.gz PRSSOENGPJREFJ-LLVKDONJSA-N 0 3 319.202 3.635 20 30 DHEDHN C[C@H](NCCSCc1ccccc1C#N)c1cncc(F)c1 ZINC000177822739 525359725 /nfs/dbraw/zinc/35/97/25/525359725.db2.gz LBMQZFGKUXRSMT-ZDUSSCGKSA-N 0 3 315.417 3.676 20 30 DHEDHN Cc1ccc([C@@H](CN[C@@H](C)c2ccc(C#N)cc2)N2CCCC2)o1 ZINC000181648526 525766776 /nfs/dbraw/zinc/76/67/76/525766776.db2.gz XTOUNUVRNXMUMF-QFBILLFUSA-N 0 3 323.440 3.947 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@H]1OCCc2ccccc21 ZINC000265231595 526042248 /nfs/dbraw/zinc/04/22/48/526042248.db2.gz QSXRCVMMHATBPV-FOIQADDNSA-N 0 3 306.409 3.865 20 30 DHEDHN C[C@H](c1ccncc1)N1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000119292376 526159829 /nfs/dbraw/zinc/15/98/29/526159829.db2.gz PTMZEXPNGWOOAZ-CQSZACIVSA-N 0 3 324.403 3.730 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)s1 ZINC000180507058 526612456 /nfs/dbraw/zinc/61/24/56/526612456.db2.gz WHXWZHNANGROGG-IUODEOHRSA-N 0 3 318.467 3.769 20 30 DHEDHN N#Cc1cccc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000182111416 526709536 /nfs/dbraw/zinc/70/95/36/526709536.db2.gz IRLGZKPJVDRLAV-QZTJIDSGSA-N 0 3 312.800 3.831 20 30 DHEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c(C#N)c1C ZINC000248543575 526778249 /nfs/dbraw/zinc/77/82/49/526778249.db2.gz DARLEKKONRLFGR-KTSGXFQWSA-N 0 3 317.433 3.509 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2CCC)CC1 ZINC000519282727 1013300702 /nfs/dbraw/zinc/30/07/02/1013300702.db2.gz MUWSQKPWICJEGC-SJLPKXTDSA-N 0 3 321.509 3.685 20 30 DHEDHN COCCN(Cc1ccc(OC)c(C#N)c1)[C@H](C)c1ccccc1 ZINC000340142655 1013350548 /nfs/dbraw/zinc/35/05/48/1013350548.db2.gz HYYOVHITTYFMLF-MRXNPFEDSA-N 0 3 324.424 3.776 20 30 DHEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(C)cc1 ZINC000340155010 1013368948 /nfs/dbraw/zinc/36/89/48/1013368948.db2.gz NUKYXRKGNZVLKJ-HNAYVOBHSA-N 0 3 321.424 3.935 20 30 DHEDHN C=CCN(C)CCN(CC)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC001626750902 1013384881 /nfs/dbraw/zinc/38/48/81/1013384881.db2.gz LITXVQKYQYGOPQ-UHFFFAOYSA-N 0 3 322.880 3.584 20 30 DHEDHN CC(C)N(Cc1ccccc1F)C[C@H](O)c1cccc(C#N)c1 ZINC001167248397 1013443617 /nfs/dbraw/zinc/44/36/17/1013443617.db2.gz PSIDVNPQOIANEY-IBGZPJMESA-N 0 3 312.388 3.641 20 30 DHEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000683523780 1013589214 /nfs/dbraw/zinc/58/92/14/1013589214.db2.gz ASELDCDYANDXET-UZLBHIALSA-N 0 3 311.425 3.853 20 30 DHEDHN C=CCC[C@@H](NCCn1ccc(C(F)(F)F)n1)c1ccco1 ZINC000634686225 1013659256 /nfs/dbraw/zinc/65/92/56/1013659256.db2.gz GJWCMVFFXKUKFU-GFCCVEGCSA-N 0 3 313.323 3.792 20 30 DHEDHN C=CCC[C@H](NCCn1ccc(C(F)(F)F)n1)c1ccco1 ZINC000634686226 1013659503 /nfs/dbraw/zinc/65/95/03/1013659503.db2.gz GJWCMVFFXKUKFU-LBPRGKRZSA-N 0 3 313.323 3.792 20 30 DHEDHN N#Cc1ccc(CN[C@H](CN2CCCC2)c2ccccc2)s1 ZINC000176944259 1013688506 /nfs/dbraw/zinc/68/85/06/1013688506.db2.gz RIMRXJQVNFMGBO-GOSISDBHSA-N 0 3 311.454 3.546 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000655778840 1013707194 /nfs/dbraw/zinc/70/71/94/1013707194.db2.gz UUCGUHBYYQZFMT-SJORKVTESA-N 0 3 314.454 3.860 20 30 DHEDHN C#CCOc1ccccc1CNCc1cccc2cccnc21 ZINC000068840185 1013717917 /nfs/dbraw/zinc/71/79/17/1013717917.db2.gz OOAUTNFFUBLMHX-UHFFFAOYSA-N 0 3 302.377 3.537 20 30 DHEDHN Cc1ccc(CN(C)C)cc1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000177333939 1013720519 /nfs/dbraw/zinc/72/05/19/1013720519.db2.gz OPAKMDWRUZTQTB-MDZDMXLPSA-N 0 3 319.408 3.580 20 30 DHEDHN Cc1ncc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000417361078 1013775919 /nfs/dbraw/zinc/77/59/19/1013775919.db2.gz IJLMTYMDEXPXCC-YJYMSZOUSA-N 0 3 306.413 3.693 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccccc1CO ZINC000578949167 1013832627 /nfs/dbraw/zinc/83/26/27/1013832627.db2.gz RAYWCOOGGAJUJM-FQEVSTJZSA-N 0 3 306.409 3.608 20 30 DHEDHN N#Cc1cccc(-c2nnc(CN(C3CC3)C3CCCCC3)o2)c1 ZINC000610367667 1013997045 /nfs/dbraw/zinc/99/70/45/1013997045.db2.gz WQSLJYKEQWUDFJ-UHFFFAOYSA-N 0 3 322.412 3.905 20 30 DHEDHN N#Cc1csc(CNC2(c3cccc(F)c3)CCOCC2)c1 ZINC000177707812 1014019468 /nfs/dbraw/zinc/01/94/68/1014019468.db2.gz NVGJVAZXIOWHTP-UHFFFAOYSA-N 0 3 316.401 3.554 20 30 DHEDHN CO[C@H](CNCc1cc(C#N)cs1)c1cccc(Cl)c1 ZINC000177707734 1014019619 /nfs/dbraw/zinc/01/96/19/1014019619.db2.gz YSQOKRSTJOLSDT-OAHLLOKOSA-N 0 3 306.818 3.750 20 30 DHEDHN C=CCCCCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC001167361016 1014046276 /nfs/dbraw/zinc/04/62/76/1014046276.db2.gz XVAUZHKSDWULTL-QGZVFWFLSA-N 0 3 302.462 3.730 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000106339089 1032080417 /nfs/dbraw/zinc/08/04/17/1032080417.db2.gz HWJWYGMZFZUUAC-SJLPKXTDSA-N 0 3 321.509 3.541 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2cc(F)cc(F)c2)n1 ZINC000155761633 1014170611 /nfs/dbraw/zinc/17/06/11/1014170611.db2.gz AEBAYTRLQMKBBV-GFCCVEGCSA-N 0 3 321.352 3.791 20 30 DHEDHN C#CCCCCCCN1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167412528 1014176629 /nfs/dbraw/zinc/17/66/29/1014176629.db2.gz MLJCDKPECIEJDV-IRXDYDNUSA-N 0 3 322.493 3.900 20 30 DHEDHN C=CCN(CC=C)C(=O)CN(CC)[C@H](CC)c1ccccc1 ZINC000521823861 1014811058 /nfs/dbraw/zinc/81/10/58/1014811058.db2.gz RDODIRXIWWQSRV-GOSISDBHSA-N 0 3 300.446 3.660 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000341208962 1015005923 /nfs/dbraw/zinc/00/59/23/1015005923.db2.gz FYWASSYOIWOTIK-YOEHRIQHSA-N 0 3 320.864 3.970 20 30 DHEDHN C=CCC[C@H](O)CN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443643730 1015063358 /nfs/dbraw/zinc/06/33/58/1015063358.db2.gz WFYIQDVKOVYZCU-LSDHHAIUSA-N 0 3 309.837 3.510 20 30 DHEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1cccc(F)c1C#N ZINC000896633092 1015688185 /nfs/dbraw/zinc/68/81/85/1015688185.db2.gz PAIIPYNIZAZADN-UHFFFAOYSA-N 0 3 307.372 3.680 20 30 DHEDHN C[C@H](CC(=O)N[C@H](C)C1=CCN(C)CC1)NC(=O)C1CCCC1 ZINC000329361357 1015691355 /nfs/dbraw/zinc/69/13/55/1015691355.db2.gz YLMVDZTWIVMSDW-ZIAGYGMSSA-N 0 3 321.465 3.519 20 30 DHEDHN CC[C@H](NCCOc1cccc(C#N)c1)c1cc(F)ccc1F ZINC000341996680 1015865164 /nfs/dbraw/zinc/86/51/64/1015865164.db2.gz HRIJRPAEWFRERO-SFHVURJKSA-N 0 3 316.351 3.956 20 30 DHEDHN N#Cc1cc(CN(C2CC2)[C@@H]2CCCc3ccccc32)ccn1 ZINC000610993118 1016005965 /nfs/dbraw/zinc/00/59/65/1016005965.db2.gz DBAUPPNSMAPARN-HXUWFJFHSA-N 0 3 303.409 3.995 20 30 DHEDHN C=CCN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065533765 1016215827 /nfs/dbraw/zinc/21/58/27/1016215827.db2.gz ARYXGDFXRICBGP-UHFFFAOYSA-N 0 3 312.369 3.662 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2CC[C@H](c3ccccc3)O2)c(F)c1 ZINC000342415695 1016370726 /nfs/dbraw/zinc/37/07/26/1016370726.db2.gz KORKTZBWWOLNJC-PKOBYXMFSA-N 0 3 310.372 3.707 20 30 DHEDHN Cc1ccc(NC(=O)[C@H](NCCCCC#N)c2ccccc2)cc1 ZINC000171715262 1016592131 /nfs/dbraw/zinc/59/21/31/1016592131.db2.gz QHFRSWWBZRYRLO-LJQANCHMSA-N 0 3 321.424 3.958 20 30 DHEDHN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000611587642 1016610401 /nfs/dbraw/zinc/61/04/01/1016610401.db2.gz KPINZIPIDNWFTC-BIENJYKASA-N 0 3 312.388 3.513 20 30 DHEDHN Cc1c([C@H](C)NCCC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000346968305 1016661529 /nfs/dbraw/zinc/66/15/29/1016661529.db2.gz PRVLTIGNGMZNMK-ZDUSSCGKSA-N 0 3 314.408 3.910 20 30 DHEDHN C=CCCOCCNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657419079 1016704058 /nfs/dbraw/zinc/70/40/58/1016704058.db2.gz NXHXRSRMNIDBRE-UHFFFAOYSA-N 0 3 316.376 3.695 20 30 DHEDHN CCC#C[C@@H](C)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000671249264 1016741228 /nfs/dbraw/zinc/74/12/28/1016741228.db2.gz ZUFHUTFXLZGJOX-IAQYHMDHSA-N 0 3 307.235 3.687 20 30 DHEDHN Cc1ccc(CNCc2cccc(C#N)c2)cc1Br ZINC000127865139 1016930530 /nfs/dbraw/zinc/93/05/30/1016930530.db2.gz GWLZWVOEDCMXCI-UHFFFAOYSA-N 0 3 315.214 3.919 20 30 DHEDHN CC[C@H](C)Oc1cc(CN2CCC(CC#N)CC2)ccc1OC ZINC000611622770 1016946122 /nfs/dbraw/zinc/94/61/22/1016946122.db2.gz DBQGRCQIGCHPNG-HNNXBMFYSA-N 0 3 316.445 3.998 20 30 DHEDHN CC[C@@H](C)Oc1cc(CN2CCC(CC#N)CC2)ccc1OC ZINC000611622771 1016946711 /nfs/dbraw/zinc/94/67/11/1016946711.db2.gz DBQGRCQIGCHPNG-OAHLLOKOSA-N 0 3 316.445 3.998 20 30 DHEDHN N#CC(C(=O)C1Cc2ccccc2C1)c1ccc2ccccc2n1 ZINC000763927112 1017022351 /nfs/dbraw/zinc/02/23/51/1017022351.db2.gz KWQFDPKZLYGUCL-GOSISDBHSA-N 0 3 312.372 3.826 20 30 DHEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)[C@H]1COc2ccccc21 ZINC000185592458 1017032226 /nfs/dbraw/zinc/03/22/26/1017032226.db2.gz JHPFMLSTFQGGEI-KBXCAEBGSA-N 0 3 311.812 3.846 20 30 DHEDHN C#CCN(CCC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000763949611 1017042038 /nfs/dbraw/zinc/04/20/38/1017042038.db2.gz FQKBEEPQNFOGDV-UHFFFAOYSA-N 0 3 318.420 3.780 20 30 DHEDHN N#Cc1ccc(C2(NCc3cccc4nsnc43)CCC2)cc1 ZINC000847055138 1032192510 /nfs/dbraw/zinc/19/25/10/1032192510.db2.gz YHPMLKXQIAAKKZ-UHFFFAOYSA-N 0 3 320.421 3.732 20 30 DHEDHN CO[C@@H](CNC1CC(C#N)(c2ccccc2)C1)c1ccccc1 ZINC000126120497 1032199803 /nfs/dbraw/zinc/19/98/03/1032199803.db2.gz WCDOXVIMAWLMLI-GPJFCIFZSA-N 0 3 306.409 3.588 20 30 DHEDHN C=CCOc1c(Cl)cc(CNC2CC(F)(F)C2)cc1OC ZINC000623507372 1017073816 /nfs/dbraw/zinc/07/38/16/1017073816.db2.gz GGPXHFCVBZLMHU-UHFFFAOYSA-N 0 3 317.763 3.801 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2[C@@H](C)CCC)CC1 ZINC000119733142 1032305688 /nfs/dbraw/zinc/30/56/88/1032305688.db2.gz KZFNSBDGHBKJRA-WMZOPIPTSA-N 0 3 321.509 3.637 20 30 DHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCC(C)(C)C)c1 ZINC000103638326 1032409286 /nfs/dbraw/zinc/40/92/86/1032409286.db2.gz LCMMRJACZJWEBX-HNNXBMFYSA-N 0 3 316.401 3.559 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@H]2C[C@H](C)O)cc1Cl ZINC000093482106 1032540633 /nfs/dbraw/zinc/54/06/33/1032540633.db2.gz QNPDKXYSUVCKBP-ZFWWWQNUSA-N 0 3 309.837 3.640 20 30 DHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)c2cn[nH]c2)cc1 ZINC000773104649 1032559692 /nfs/dbraw/zinc/55/96/92/1032559692.db2.gz FPPJMBNRMVXJLU-STQMWFEESA-N 0 3 305.809 3.953 20 30 DHEDHN C[C@H](CCC(=O)C(C#N)C(=O)Nc1ccccc1)c1ccccc1 ZINC000160159990 1011905746 /nfs/dbraw/zinc/90/57/46/1011905746.db2.gz LRVORJWBHZSFKM-CRAIPNDOSA-N 0 3 320.392 3.918 20 30 DHEDHN C=CCn1cc(CN[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)nn1 ZINC000424297123 1011964222 /nfs/dbraw/zinc/96/42/22/1011964222.db2.gz PXOWWWOWADFPSN-GOEBONIOSA-N 0 3 316.836 3.543 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000424868770 1012163095 /nfs/dbraw/zinc/16/30/95/1012163095.db2.gz IWCFWJWIPLIOAS-KRWDZBQOSA-N 0 3 314.473 3.569 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1 ZINC000274749085 1012288137 /nfs/dbraw/zinc/28/81/37/1012288137.db2.gz DYHUJPYMTACNJJ-UHFFFAOYSA-N 0 3 311.425 3.769 20 30 DHEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000425246613 1012372597 /nfs/dbraw/zinc/37/25/97/1012372597.db2.gz YFSXSYQALVFPNM-AWEZNQCLSA-N 0 3 324.403 3.730 20 30 DHEDHN C=CC[C@H]1CCN(Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC001206799283 1012679343 /nfs/dbraw/zinc/67/93/43/1012679343.db2.gz DBIKQGKLJUGDHH-ZDUSSCGKSA-N 0 3 301.459 3.980 20 30 DHEDHN N#Cc1ccc2ncc(CNCc3ccc(C4CCC4)cc3)n2c1 ZINC000516527001 1012798988 /nfs/dbraw/zinc/79/89/88/1012798988.db2.gz VJMQHODOHMETBD-UHFFFAOYSA-N 0 3 316.408 3.763 20 30 DHEDHN N#Cc1ccc(F)c(CNC2CC(OCc3ccccc3)C2)c1 ZINC000716273693 1032693448 /nfs/dbraw/zinc/69/34/48/1032693448.db2.gz MGTORXMDOLRBJO-UHFFFAOYSA-N 0 3 310.372 3.535 20 30 DHEDHN C=CCOCCCNCc1cc(Cl)c(OC)cc1Cl ZINC000657657939 1017684055 /nfs/dbraw/zinc/68/40/55/1017684055.db2.gz GJOKSEJXCHVZGZ-UHFFFAOYSA-N 0 3 304.217 3.684 20 30 DHEDHN C=C[C@H](C)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000153653672 1017873057 /nfs/dbraw/zinc/87/30/57/1017873057.db2.gz MUUPXICCKDXLIS-NSHDSACASA-N 0 3 302.330 3.528 20 30 DHEDHN C#CC[C@H]1CCCN(Cc2cccc(C)c2Br)C1 ZINC001171491003 1032732410 /nfs/dbraw/zinc/73/24/10/1032732410.db2.gz RNMKSWZCUPNROO-AWEZNQCLSA-N 0 3 306.247 3.993 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000171710129 1017975836 /nfs/dbraw/zinc/97/58/36/1017975836.db2.gz KOCOGPYLTOIRMF-SJORKVTESA-N 0 3 321.509 3.541 20 30 DHEDHN C=CCN1CCC(NC(=O)C2CCC(CCCC)CC2)CC1 ZINC000171720456 1017978528 /nfs/dbraw/zinc/97/85/28/1017978528.db2.gz FJBKVKDVJFZCAO-UHFFFAOYSA-N 0 3 306.494 3.750 20 30 DHEDHN C=CCOc1ccccc1CN1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858011461 1032742917 /nfs/dbraw/zinc/74/29/17/1032742917.db2.gz OORCVEITDVNGLZ-GOSISDBHSA-N 0 3 324.424 3.608 20 30 DHEDHN C=CCOc1ccccc1CN1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858011463 1032740492 /nfs/dbraw/zinc/74/04/92/1032740492.db2.gz OORCVEITDVNGLZ-SFHVURJKSA-N 0 3 324.424 3.608 20 30 DHEDHN CCN(C)c1ccc(CN(CC)[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000248821151 1018075430 /nfs/dbraw/zinc/07/54/30/1018075430.db2.gz FTGBBQVUBIOTGK-MRXNPFEDSA-N 0 3 322.456 3.992 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000154326424 1018148628 /nfs/dbraw/zinc/14/86/28/1018148628.db2.gz JPEOZOZXZHTVHN-HZPDHXFCSA-N 0 3 304.393 3.982 20 30 DHEDHN N#Cc1ccc2c(c1)CCN([C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171476483 1032746463 /nfs/dbraw/zinc/74/64/63/1032746463.db2.gz MGDDDAIJVDYICC-SFHVURJKSA-N 0 3 324.374 3.752 20 30 DHEDHN CC[C@H](NCc1ccc(OC(C)C)nc1)c1ccc(C#N)cc1 ZINC000278159196 1018239418 /nfs/dbraw/zinc/23/94/18/1018239418.db2.gz BCOJAAUGIZDVEY-SFHVURJKSA-N 0 3 309.413 3.981 20 30 DHEDHN CN(CCOc1ccc(C(F)(F)F)cc1)CCC(C)(C)C#N ZINC000527299433 1018544525 /nfs/dbraw/zinc/54/45/25/1018544525.db2.gz RWZPEZLYFJUUFD-UHFFFAOYSA-N 0 3 314.351 3.956 20 30 DHEDHN Cc1cc(C)n(-c2ccccc2CNCc2ccc(C#N)cc2)n1 ZINC000152294362 1018564498 /nfs/dbraw/zinc/56/44/98/1018564498.db2.gz XTBBKOHTYMKNAQ-UHFFFAOYSA-N 0 3 316.408 3.651 20 30 DHEDHN Cc1cccc(C)c1[C@@H](C)NCc1cnc2ccc(C#N)cn12 ZINC000583579919 1018569658 /nfs/dbraw/zinc/56/96/58/1018569658.db2.gz OHTRNXWCZMCCAK-OAHLLOKOSA-N 0 3 304.397 3.674 20 30 DHEDHN C=CCCCCNCc1ccccc1I ZINC000380017829 1032773276 /nfs/dbraw/zinc/77/32/76/1032773276.db2.gz UYHOOVHUOMXRGJ-UHFFFAOYSA-N 0 3 315.198 3.737 20 30 DHEDHN C[C@H](Cc1ccco1)NCc1cc(C#N)ccc1Br ZINC000921513627 1018805499 /nfs/dbraw/zinc/80/54/99/1018805499.db2.gz CBZQQGMIMQHUPU-LLVKDONJSA-N 0 3 319.202 3.635 20 30 DHEDHN N#Cc1cc2ccccc2nc1N1CCN(C2CCCCC2)CC1 ZINC000765575791 1018948416 /nfs/dbraw/zinc/94/84/16/1018948416.db2.gz MKPFVYGRSRPTQU-UHFFFAOYSA-N 0 3 320.440 3.561 20 30 DHEDHN CC[C@H](N[C@@H](CCO)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000278639349 1018974028 /nfs/dbraw/zinc/97/40/28/1018974028.db2.gz HKWTVSHXLNFOQK-PMACEKPBSA-N 0 3 324.424 3.731 20 30 DHEDHN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1csc(C#N)c1 ZINC000921969688 1019234491 /nfs/dbraw/zinc/23/44/91/1019234491.db2.gz OWNADQUHVAXYGA-BDJLRTHQSA-N 0 3 304.390 3.625 20 30 DHEDHN COc1ccc([C@@H]2C[C@H](NCC3(C#N)CCCC3)CCO2)cc1 ZINC001168577249 1019430315 /nfs/dbraw/zinc/43/03/15/1019430315.db2.gz OPUHAUFFZGRMJW-AEFFLSMTSA-N 0 3 314.429 3.589 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCc2c1cccc2O ZINC000611392025 1019465251 /nfs/dbraw/zinc/46/52/51/1019465251.db2.gz IQBSXIIGYFFSJN-RTBURBONSA-N 0 3 304.393 3.918 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC001128353477 1019478958 /nfs/dbraw/zinc/47/89/58/1019478958.db2.gz VBOLSZJJTIPNAD-AZUAARDMSA-N 0 3 316.489 3.862 20 30 DHEDHN Cc1cc(C#N)ccc1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000186184670 1019607645 /nfs/dbraw/zinc/60/76/45/1019607645.db2.gz YLXYIVHJBUWTCM-UHFFFAOYSA-N 0 3 301.393 3.903 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000487521088 1032843995 /nfs/dbraw/zinc/84/39/95/1032843995.db2.gz UYGZUKCOXNJATG-CQSZACIVSA-N 0 3 308.381 3.522 20 30 DHEDHN CCN(C)c1ccccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000730109596 1019948337 /nfs/dbraw/zinc/94/83/37/1019948337.db2.gz UDXJJRRSZKDXKH-INIZCTEOSA-N 0 3 323.440 3.723 20 30 DHEDHN N#Cc1ccc2c(c1)CCN([C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168721672 1019974456 /nfs/dbraw/zinc/97/44/56/1019974456.db2.gz QSLDBDSCZCXLCQ-KRWDZBQOSA-N 0 3 308.812 3.737 20 30 DHEDHN CSc1ccc(CNCc2ccc3c(c2)CCCO3)cc1C#N ZINC000922336711 1020016061 /nfs/dbraw/zinc/01/60/61/1020016061.db2.gz AFBCZVSAFYBHNP-UHFFFAOYSA-N 0 3 324.449 3.895 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000318125782 1020028129 /nfs/dbraw/zinc/02/81/29/1020028129.db2.gz MQKWEVKPQPNTJR-JQHSSLGASA-N 0 3 318.848 3.727 20 30 DHEDHN Cn1cnc2cc(CNCc3ccc(C(C)(C)C#N)cc3)ccc21 ZINC000922480960 1020088655 /nfs/dbraw/zinc/08/86/55/1020088655.db2.gz KEZOBNFEAVEJBV-UHFFFAOYSA-N 0 3 318.424 3.664 20 30 DHEDHN N#CC(C(=O)[C@@H]1CCOC2(CCC2)C1)c1ccc2ccccc2n1 ZINC000892425319 1020211488 /nfs/dbraw/zinc/21/14/88/1020211488.db2.gz ABYOEPUONZEVPT-HZPDHXFCSA-N 0 3 320.392 3.760 20 30 DHEDHN CCOc1ccc(C(=O)C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647371727 1020214970 /nfs/dbraw/zinc/21/49/70/1020214970.db2.gz XOEKBXMOCNZRGP-AWEZNQCLSA-N 0 3 312.394 3.909 20 30 DHEDHN N#CC(C(=O)CC[C@H]1CCCCO1)c1ccc2ccccc2n1 ZINC000732494364 1020242466 /nfs/dbraw/zinc/24/24/66/1020242466.db2.gz MXQSKZQMABUPHD-HZPDHXFCSA-N 0 3 308.381 3.760 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc(C)c(C#N)c2)cc1OC ZINC000922761469 1020251325 /nfs/dbraw/zinc/25/13/25/1020251325.db2.gz HYBFNLSGNCRHOP-UHFFFAOYSA-N 0 3 322.408 3.730 20 30 DHEDHN CN(C)[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000255850778 1020479651 /nfs/dbraw/zinc/47/96/51/1020479651.db2.gz VGLKDRHXCNCRFH-IAFWPLRWSA-N 0 3 319.408 3.662 20 30 DHEDHN COc1ccc2c(c1)[C@H](NCc1ccc(C#N)c(F)c1)CCC2 ZINC000404570612 1020591471 /nfs/dbraw/zinc/59/14/71/1020591471.db2.gz IBTUCTYPTAIGNN-LJQANCHMSA-N 0 3 310.372 3.873 20 30 DHEDHN C=CCN(Cc1cccc(Br)c1C)[C@H](C)COC ZINC001171915337 1032915127 /nfs/dbraw/zinc/91/51/27/1032915127.db2.gz CRQVRMCOCHHSFJ-GFCCVEGCSA-N 0 3 312.251 3.780 20 30 DHEDHN C=CC[C@H](C)NCc1c(C)nn(Cc2ccccc2)c1Cl ZINC000735085444 1020690297 /nfs/dbraw/zinc/69/02/97/1020690297.db2.gz ALYXJTLCLMZYRS-ZDUSSCGKSA-N 0 3 303.837 3.947 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000264398784 1032923037 /nfs/dbraw/zinc/92/30/37/1032923037.db2.gz OLULPVGRPPCKBT-UHFFFAOYSA-N 0 3 321.852 3.810 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc(Cl)c3)nc21 ZINC000735787735 1020767095 /nfs/dbraw/zinc/76/70/95/1020767095.db2.gz FBQZUNWUYFRYLR-AWEZNQCLSA-N 0 3 323.783 3.944 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000177790981 1020804018 /nfs/dbraw/zinc/80/40/18/1020804018.db2.gz IJPNACUFKXGBAQ-GJZGRUSLSA-N 0 3 323.392 3.839 20 30 DHEDHN CSCC[C@H](C)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000736318441 1020807661 /nfs/dbraw/zinc/80/76/61/1020807661.db2.gz JEXMFBSLRAFMCM-LBPRGKRZSA-N 0 3 312.866 3.816 20 30 DHEDHN CC1(C)CC[C@H](CC(=O)C(C#N)c2nc3ccccc3o2)OC1 ZINC000892553663 1020987752 /nfs/dbraw/zinc/98/77/52/1020987752.db2.gz RHUDAIUOJCDYDR-OLZOCXBDSA-N 0 3 312.369 3.599 20 30 DHEDHN CCC[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1[O-] ZINC000264520642 1032950795 /nfs/dbraw/zinc/95/07/95/1032950795.db2.gz AEPANJHUQUVJLV-UHFFFAOYSA-N 0 3 310.397 3.707 20 30 DHEDHN CCC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1[O-] ZINC000264520642 1032950808 /nfs/dbraw/zinc/95/08/08/1032950808.db2.gz AEPANJHUQUVJLV-UHFFFAOYSA-N 0 3 310.397 3.707 20 30 DHEDHN COc1ccc(CNCc2ccccc2COC(C)C)cc1C#N ZINC000742366868 1021107796 /nfs/dbraw/zinc/10/77/96/1021107796.db2.gz YLLUBCOARJJQAB-UHFFFAOYSA-N 0 3 324.424 3.782 20 30 DHEDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)CCC3)cc1C#N ZINC000742367603 1021107867 /nfs/dbraw/zinc/10/78/67/1021107867.db2.gz COCUGNUQTDTGFK-CQSZACIVSA-N 0 3 306.409 3.906 20 30 DHEDHN C#CCCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000743495687 1021312455 /nfs/dbraw/zinc/31/24/55/1021312455.db2.gz HSRQWWAPKLDSOE-MRXNPFEDSA-N 0 3 304.393 3.811 20 30 DHEDHN C=CCCC1(CNC(=O)C[C@@H]2NCc3ccccc32)CCCC1 ZINC000659334869 1021378239 /nfs/dbraw/zinc/37/82/39/1021378239.db2.gz RGDABWDQWRGDSF-SFHVURJKSA-N 0 3 312.457 3.864 20 30 DHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000189585527 1021379137 /nfs/dbraw/zinc/37/91/37/1021379137.db2.gz MSOCGVMXLNWBTM-NSHDSACASA-N 0 3 307.319 3.766 20 30 DHEDHN COCc1csc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000850120939 1021423142 /nfs/dbraw/zinc/42/31/42/1021423142.db2.gz KIUVIHBVGMWYSG-ZDUSSCGKSA-N 0 3 316.426 3.648 20 30 DHEDHN C=CC[C@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccncc1 ZINC000850137886 1021426135 /nfs/dbraw/zinc/42/61/35/1021426135.db2.gz UZRSHQOQQSNPDA-PMACEKPBSA-N 0 3 324.424 3.656 20 30 DHEDHN C[C@@H](C(=O)C(C#N)c1nc(-c2ccncc2)cs1)c1ccco1 ZINC000744064460 1021427360 /nfs/dbraw/zinc/42/73/60/1021427360.db2.gz WUYQZRLVXGIKMZ-DGCLKSJQSA-N 0 3 323.377 3.778 20 30 DHEDHN COc1cc(C)c(CN[C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618742151 1021501610 /nfs/dbraw/zinc/50/16/10/1021501610.db2.gz RWQUDRJWSMDYFT-SFHVURJKSA-N 0 3 322.408 3.661 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](c2ccccc2)[C@H](O)C(C)C)cc1 ZINC000850394735 1021508029 /nfs/dbraw/zinc/50/80/29/1021508029.db2.gz BGRHMJJGKJJNDH-LEWJYISDSA-N 0 3 323.436 3.546 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618801676 1021521202 /nfs/dbraw/zinc/52/12/02/1021521202.db2.gz BNQIZQVEUOKGRG-XCLFUZPHSA-N 0 3 319.408 3.855 20 30 DHEDHN C#CCCOc1ccc(CNCc2cccc(OC)c2C)cc1 ZINC000850416928 1021522666 /nfs/dbraw/zinc/52/26/66/1021522666.db2.gz SYNPDKRAHFXVOI-UHFFFAOYSA-N 0 3 309.409 3.696 20 30 DHEDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CCc3cc(C#N)ccc31)CC2 ZINC000618804211 1021530650 /nfs/dbraw/zinc/53/06/50/1021530650.db2.gz KJSIFXGCZAYBLR-UXHICEINSA-N 0 3 304.393 3.831 20 30 DHEDHN COc1ccc2c(c1)[C@H](N[C@H]1CCc3cc(C#N)ccc31)CC2 ZINC000618804212 1021531204 /nfs/dbraw/zinc/53/12/04/1021531204.db2.gz KJSIFXGCZAYBLR-VQTJNVASSA-N 0 3 304.393 3.831 20 30 DHEDHN Cc1nc2c(s1)[C@H](N[C@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618806210 1021531627 /nfs/dbraw/zinc/53/16/27/1021531627.db2.gz QALYSZUNHZJLKG-DOTOQJQBSA-N 0 3 309.438 3.978 20 30 DHEDHN COc1cccc2c1CC[C@H]2N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618803389 1021532281 /nfs/dbraw/zinc/53/22/81/1021532281.db2.gz WAKUNANHNITUNL-RTBURBONSA-N 0 3 304.393 3.831 20 30 DHEDHN C=CCN[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000538123683 1032987932 /nfs/dbraw/zinc/98/79/32/1032987932.db2.gz ZDZNEHOHCKFJLY-AWEZNQCLSA-N 0 3 312.388 3.844 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(C(F)F)nc2)cc1 ZINC000850472678 1021553484 /nfs/dbraw/zinc/55/34/84/1021553484.db2.gz LVYMCCXEVPZYRX-CYBMUJFWSA-N 0 3 316.351 3.882 20 30 DHEDHN C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCC1(C#N)CCCCC1 ZINC000850552440 1021600430 /nfs/dbraw/zinc/60/04/30/1021600430.db2.gz ZHCNFXNBZGZZTA-HUUCEWRRSA-N 0 3 323.481 3.742 20 30 DHEDHN N#CCC1(CN[C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000619535249 1021787682 /nfs/dbraw/zinc/78/76/82/1021787682.db2.gz LPDVBLDOFRARJA-CYBMUJFWSA-N 0 3 321.218 3.556 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000644659203 1021797857 /nfs/dbraw/zinc/79/78/57/1021797857.db2.gz XGJZUJKBPUXQGJ-QGZVFWFLSA-N 0 3 314.473 3.712 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2C[C@](C)(OC)C2(C)C)c([O-])c1 ZINC000745975747 1021817836 /nfs/dbraw/zinc/81/78/36/1021817836.db2.gz APMVYHBKKNHFIX-DITKOHGZSA-N 0 3 318.461 3.861 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000728711853 1021879186 /nfs/dbraw/zinc/87/91/86/1021879186.db2.gz NKGRGTRATLVAQY-BFUOFWGJSA-N 0 3 310.372 3.894 20 30 DHEDHN CN(C)Cc1cccc(C(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000153479765 1022069293 /nfs/dbraw/zinc/06/92/93/1022069293.db2.gz MUJHZCALKZXDJH-LJQANCHMSA-N 0 3 321.424 3.523 20 30 DHEDHN C#C[C@@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000852098904 1022071515 /nfs/dbraw/zinc/07/15/15/1022071515.db2.gz ZBEGDUDYYUNYFG-FQEVSTJZSA-N 0 3 306.409 3.830 20 30 DHEDHN CCCCCCCC[C@H](C)C(=O)Nc1nn(C)c(C)c1CN ZINC000852898965 1022185929 /nfs/dbraw/zinc/18/59/29/1022185929.db2.gz CLEBMCNHAKFQRL-ZDUSSCGKSA-N 0 3 308.470 3.512 20 30 DHEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(-n2cccn2)c1 ZINC000183571575 1022186473 /nfs/dbraw/zinc/18/64/73/1022186473.db2.gz YWRACUDAOCELNU-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN N#Cc1cc(CNC[C@H](c2ccco2)N2CCCCC2)cs1 ZINC000921478610 1022267107 /nfs/dbraw/zinc/26/71/07/1022267107.db2.gz NXIJFEVBWJYQTQ-MRXNPFEDSA-N 0 3 315.442 3.530 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000853598141 1022297462 /nfs/dbraw/zinc/29/74/62/1022297462.db2.gz LXUHKGMQXNBMCO-HDICACEKSA-N 0 3 304.397 3.562 20 30 DHEDHN CN(C)/C=N/c1ccc(N[C@@H]2CCCC(F)(F)C2)cc1C#N ZINC001169220539 1022306179 /nfs/dbraw/zinc/30/61/79/1022306179.db2.gz VZNUVUABEFDEOX-XLTHYULKSA-N 0 3 306.360 3.769 20 30 DHEDHN C[C@H](NCCOc1ccccc1C#N)c1ccc(F)cc1F ZINC000181594095 1022311827 /nfs/dbraw/zinc/31/18/27/1022311827.db2.gz WUYPZEAADSMWAD-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN CN(C)/C=N/c1ccc(N[C@H](C2CCC2)C(F)(F)F)cc1C#N ZINC001169284540 1022337422 /nfs/dbraw/zinc/33/74/22/1022337422.db2.gz KLOUBMKDCWJCPU-SBUZPKSBSA-N 0 3 324.350 3.923 20 30 DHEDHN C=CCNC(=O)CN[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C ZINC000180028619 1022609975 /nfs/dbraw/zinc/60/99/75/1022609975.db2.gz HQSQYAKZJJUFHZ-OAHLLOKOSA-N 0 3 315.244 3.582 20 30 DHEDHN C=C[C@H](CC(=O)NCCN(C)Cc1ccccc1)c1ccccc1 ZINC000158970040 1022678672 /nfs/dbraw/zinc/67/86/72/1022678672.db2.gz LZNCOOSBNVPPBF-LJQANCHMSA-N 0 3 322.452 3.595 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)NCc1cc(-c2ccccc2)on1 ZINC001172301575 1033073431 /nfs/dbraw/zinc/07/34/31/1033073431.db2.gz RLSZIKOLKGYMPA-OAHLLOKOSA-N 0 3 317.392 3.934 20 30 DHEDHN COc1ccc(F)c(F)c1CN[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302454 1033073500 /nfs/dbraw/zinc/07/35/00/1033073500.db2.gz JXTQHANGVAVVPS-LBPRGKRZSA-N 0 3 316.351 3.566 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cc(-c2ccccc2)on1 ZINC001172301574 1033074169 /nfs/dbraw/zinc/07/41/69/1033074169.db2.gz RLSZIKOLKGYMPA-HNNXBMFYSA-N 0 3 317.392 3.934 20 30 DHEDHN CN1CCN(CC#Cc2cccc(Cl)c2)CC12CCCCC2 ZINC000584787982 1022742829 /nfs/dbraw/zinc/74/28/29/1022742829.db2.gz IHKKFDSUUQMLHF-UHFFFAOYSA-N 0 3 316.876 3.642 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000767689771 1022782225 /nfs/dbraw/zinc/78/22/25/1022782225.db2.gz OOJBELVCSVOIED-IEOAWGNMSA-N 0 3 316.445 3.759 20 30 DHEDHN Cc1ccn2cc(CN(C)[C@@H](C)Cc3ccc(C#N)cc3)nc2c1 ZINC001172315045 1033082506 /nfs/dbraw/zinc/08/25/06/1033082506.db2.gz IYMRDHDRMXFHTR-INIZCTEOSA-N 0 3 318.424 3.577 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC(=O)[C@H](C)C12CCCC2 ZINC001172317791 1033085050 /nfs/dbraw/zinc/08/50/50/1033085050.db2.gz UQDOQNHUMYAPQG-CVEARBPZSA-N 0 3 310.441 3.713 20 30 DHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1C ZINC000116591990 1033087033 /nfs/dbraw/zinc/08/70/33/1033087033.db2.gz GEORYRQPFNDAKL-WBVHZDCISA-N 0 3 314.429 3.504 20 30 DHEDHN CCCCCCCOc1cccc(CN2CCC(O)CC2)c1 ZINC000768183941 1022918327 /nfs/dbraw/zinc/91/83/27/1022918327.db2.gz REWMDCYICJBJGP-UHFFFAOYSA-N 0 3 305.462 3.993 20 30 DHEDHN Cc1nc2ccccn2c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418141865 1022976603 /nfs/dbraw/zinc/97/66/03/1022976603.db2.gz GKMOTWRYMCJQQB-SFHVURJKSA-N 0 3 316.408 3.682 20 30 DHEDHN C=CCc1cc(CN[C@H](C)c2ccncc2)cc(OC)c1OC ZINC000743475038 1022983840 /nfs/dbraw/zinc/98/38/40/1022983840.db2.gz XEJJYYAKQFTBFP-CQSZACIVSA-N 0 3 312.413 3.678 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)NC(C)(C)C(=O)c1ccccc1 ZINC001172289378 1033094843 /nfs/dbraw/zinc/09/48/43/1033094843.db2.gz CRMBMQPAQCWTCG-HNNXBMFYSA-N 0 3 306.409 3.740 20 30 DHEDHN CC(C)N(Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccccn1 ZINC000768926903 1023058721 /nfs/dbraw/zinc/05/87/21/1023058721.db2.gz SDLJHOBDYLGSQY-INIZCTEOSA-N 0 3 309.413 3.783 20 30 DHEDHN C=CCc1cc(CNCc2cccc(CC)c2)cc(OC)c1O ZINC000652033069 1023079531 /nfs/dbraw/zinc/07/95/31/1023079531.db2.gz ZBFWPYSFOHRQIU-UHFFFAOYSA-N 0 3 311.425 3.982 20 30 DHEDHN C[C@H](NCc1ccccc1Cn1cccn1)c1cccc(C#N)c1 ZINC000181424902 1023089885 /nfs/dbraw/zinc/08/98/85/1023089885.db2.gz FCURPIFJLQJPSJ-INIZCTEOSA-N 0 3 316.408 3.654 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000876606549 1033104466 /nfs/dbraw/zinc/10/44/66/1033104466.db2.gz BUVNZAGGRKVLDW-CVEARBPZSA-N 0 3 306.837 3.600 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@H](c1ncccc1F)C1CC1 ZINC001172298843 1033104527 /nfs/dbraw/zinc/10/45/27/1033104527.db2.gz BJNYNHIFXDMZEW-UGSOOPFHSA-N 0 3 309.388 3.764 20 30 DHEDHN C=C[C@@](C)(O)CN1CCC[C@@H]1c1ccccc1Br ZINC001252541899 1033108873 /nfs/dbraw/zinc/10/88/73/1033108873.db2.gz VYPQBUSMYSXIOE-HUUCEWRRSA-N 0 3 310.235 3.523 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000876672470 1033120056 /nfs/dbraw/zinc/12/00/56/1033120056.db2.gz DJDGFQJUIKIBKE-COXVUDFISA-N 0 3 320.864 3.765 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC000876671349 1033120214 /nfs/dbraw/zinc/12/02/14/1033120214.db2.gz MPCDOAIXLXIJAF-IRXDYDNUSA-N 0 3 320.864 3.909 20 30 DHEDHN C#CCCOc1ccc(CN(C)CCOCc2ccccc2)cc1 ZINC000770304470 1023294461 /nfs/dbraw/zinc/29/44/61/1023294461.db2.gz FUVLBJZQQUFARK-UHFFFAOYSA-N 0 3 323.436 3.737 20 30 DHEDHN C#CCOc1ccc(CN(CCC(F)(F)F)CC2CC2)cc1 ZINC000770306145 1023294855 /nfs/dbraw/zinc/29/48/55/1023294855.db2.gz WUODBTKNPRULKH-UHFFFAOYSA-N 0 3 311.347 3.863 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000876670883 1033120501 /nfs/dbraw/zinc/12/05/01/1033120501.db2.gz HCYZRYZBWYOSSW-LDYMZIIASA-N 0 3 321.635 3.641 20 30 DHEDHN CCN1CCN(c2ccc(NCC(C)(C)CCC#N)cc2)CC1 ZINC000770484904 1023319818 /nfs/dbraw/zinc/31/98/18/1023319818.db2.gz JDKXWJBPYACPAO-UHFFFAOYSA-N 0 3 314.477 3.570 20 30 DHEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](CC)c2nnc3n2CCCCC3)C1 ZINC000651695015 1023470639 /nfs/dbraw/zinc/47/06/39/1023470639.db2.gz YONOXQCCELYXFY-OAGGEKHMSA-N 0 3 302.466 3.790 20 30 DHEDHN CCOc1ccc(CN[C@H](CCC#N)c2ccccc2)c(O)c1 ZINC000747929713 1023555427 /nfs/dbraw/zinc/55/54/27/1023555427.db2.gz UERLQAZMKWTISE-GOSISDBHSA-N 0 3 310.397 3.926 20 30 DHEDHN CCOc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)c([O-])c1 ZINC000747929713 1023555438 /nfs/dbraw/zinc/55/54/38/1023555438.db2.gz UERLQAZMKWTISE-GOSISDBHSA-N 0 3 310.397 3.926 20 30 DHEDHN CSC1(C(=O)C(C#N)c2nc3ccccc3s2)CCC1 ZINC000786279524 1023675433 /nfs/dbraw/zinc/67/54/33/1023675433.db2.gz TZMCNLLUHUTMFA-JTQLQIEISA-N 0 3 302.424 3.758 20 30 DHEDHN C=CCN(CC(=O)N[C@@H](c1ccccc1)C1CC1)C(C)(C)C ZINC000661760453 1023736253 /nfs/dbraw/zinc/73/62/53/1023736253.db2.gz UBCORXZDELAJJG-SFHVURJKSA-N 0 3 300.446 3.540 20 30 DHEDHN C=CCCCCN[C@H](C)c1nc(Br)ccc1F ZINC000788753349 1023929027 /nfs/dbraw/zinc/92/90/27/1023929027.db2.gz JHICMKDNNALGPW-SNVBAGLBSA-N 0 3 301.203 3.990 20 30 DHEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NNCCc1ccncc1 ZINC000789094229 1023996342 /nfs/dbraw/zinc/99/63/42/1023996342.db2.gz OMZVZVZFNXYXAK-UOAUAMEWSA-N 0 3 320.440 3.511 20 30 DHEDHN C[C@@H](NCc1ccc(-c2cnn(C)c2)s1)c1ccc(C#N)cc1 ZINC000337781773 1033175675 /nfs/dbraw/zinc/17/56/75/1033175675.db2.gz BOGRPZMTBQGOLZ-CYBMUJFWSA-N 0 3 322.437 3.871 20 30 DHEDHN CCc1ccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000789372322 1024065514 /nfs/dbraw/zinc/06/55/14/1024065514.db2.gz WQUXFBCUJTYWAT-DJJJIMSYSA-N 0 3 312.388 3.644 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000268821384 1024169839 /nfs/dbraw/zinc/16/98/39/1024169839.db2.gz SCEMAXBCLKJFKC-OKHZJLECSA-N 0 3 312.438 3.707 20 30 DHEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@H](CO)c1ccccc1 ZINC000269048441 1024229522 /nfs/dbraw/zinc/22/95/22/1024229522.db2.gz ZJENIKRERBJKQI-LJQANCHMSA-N 0 3 308.425 3.653 20 30 DHEDHN COc1cc(C)c(CN(C)Cc2ccc(C#N)cc2)cc1OC ZINC000024743595 1024232971 /nfs/dbraw/zinc/23/29/71/1024232971.db2.gz TUIJXZTXAJPYAC-UHFFFAOYSA-N 0 3 310.397 3.516 20 30 DHEDHN C#CCCOc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1 ZINC000131186756 1024276199 /nfs/dbraw/zinc/27/61/99/1024276199.db2.gz CGWSHFQTUNGYTE-UHFFFAOYSA-N 0 3 304.393 3.592 20 30 DHEDHN C=CCC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)[C@H]1Cc2ccccc2O1 ZINC000883226938 1024300975 /nfs/dbraw/zinc/30/09/75/1024300975.db2.gz IIJKQDJUAOYXAQ-ITQYTPKQSA-N 0 3 323.440 3.817 20 30 DHEDHN CCSc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000883235685 1024308345 /nfs/dbraw/zinc/30/83/45/1024308345.db2.gz IWRVJQMXHWDTCJ-UHFFFAOYSA-N 0 3 312.438 3.969 20 30 DHEDHN C=CCC[C@@H](NC[C@H]1CCC2(CCOCC2)CO1)c1ccco1 ZINC000883263346 1024336316 /nfs/dbraw/zinc/33/63/16/1024336316.db2.gz QDHXIMRXTMPXLP-IAGOWNOFSA-N 0 3 319.445 3.852 20 30 DHEDHN C=CC[C@@H](NCc1ccc(N(C)C(C)C)nc1)c1ccncc1 ZINC000790964869 1024406877 /nfs/dbraw/zinc/40/68/77/1024406877.db2.gz PMQKWFGZFHCJGA-GOSISDBHSA-N 0 3 310.445 3.728 20 30 DHEDHN C=CC[C@H](NCc1ccc(N(C)C(C)C)nc1)c1ccncc1 ZINC000790964870 1024406967 /nfs/dbraw/zinc/40/69/67/1024406967.db2.gz PMQKWFGZFHCJGA-SFHVURJKSA-N 0 3 310.445 3.728 20 30 DHEDHN C[C@@H](NCc1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000314996343 1024420934 /nfs/dbraw/zinc/42/09/34/1024420934.db2.gz QXXXKVJYBDISTI-GFCCVEGCSA-N 0 3 302.324 3.718 20 30 DHEDHN COc1ccccc1C[C@H](C)N(C)Cc1ccc(C#N)s1 ZINC000271153906 1024463858 /nfs/dbraw/zinc/46/38/58/1024463858.db2.gz GUZBDLKJYZALAO-ZDUSSCGKSA-N 0 3 300.427 3.691 20 30 DHEDHN CCn1cc([C@@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000453353494 1024478521 /nfs/dbraw/zinc/47/85/21/1024478521.db2.gz ICVRSANWKSZQSP-AUUYWEPGSA-N 0 3 308.429 3.893 20 30 DHEDHN Cc1cc(C)cc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000107072133 1024608890 /nfs/dbraw/zinc/60/88/90/1024608890.db2.gz IPZVLLBMCRAYIS-HZPDHXFCSA-N 0 3 321.424 3.853 20 30 DHEDHN CC(C)[C@@H]1CN([C@@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172497168 1033225327 /nfs/dbraw/zinc/22/53/27/1033225327.db2.gz ZBDGOWZREVIGDY-HOTGVXAUSA-N 0 3 323.481 3.646 20 30 DHEDHN CN(C)c1ccc(CN(Cc2ccc(C#N)c(F)c2)C2CC2)cc1 ZINC000792205966 1024648817 /nfs/dbraw/zinc/64/88/17/1024648817.db2.gz DKWROIXJEFMFMT-UHFFFAOYSA-N 0 3 323.415 3.928 20 30 DHEDHN C[C@H](CCCC#N)NCc1cn(Cc2ccccc2Cl)cn1 ZINC001172491758 1033223729 /nfs/dbraw/zinc/22/37/29/1033223729.db2.gz IXSTUBAUPUQLNC-CQSZACIVSA-N 0 3 316.836 3.757 20 30 DHEDHN CC(C)[C@H]1CCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000350112750 1024792540 /nfs/dbraw/zinc/79/25/40/1024792540.db2.gz FWWDYXAVWUJEKT-GOSISDBHSA-N 0 3 323.440 3.858 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000113317530 1024797322 /nfs/dbraw/zinc/79/73/22/1024797322.db2.gz FOTCXMSCIFPINL-HNNXBMFYSA-N 0 3 322.408 3.508 20 30 DHEDHN CCCCCCCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001275111248 1024917045 /nfs/dbraw/zinc/91/70/45/1024917045.db2.gz JNQZFNHKFWSTID-LJQANCHMSA-N 0 3 319.493 3.718 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCCC2Cc3ccccc3C2)c1 ZINC000877125114 1033245623 /nfs/dbraw/zinc/24/56/23/1033245623.db2.gz YCPUDFCSUIQSCT-UHFFFAOYSA-N 0 3 311.816 3.501 20 30 DHEDHN Cc1ccc(CN[C@H](C)CC(C)(C)C#N)c(O[C@H]2CCOC2)c1 ZINC000925268480 1024973721 /nfs/dbraw/zinc/97/37/21/1024973721.db2.gz MFEYNERFWDZZMZ-WBVHZDCISA-N 0 3 316.445 3.581 20 30 DHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc([S@](C)=O)cc1 ZINC000353264397 1025006904 /nfs/dbraw/zinc/00/69/04/1025006904.db2.gz HBRMHTRLWQZHKV-NOQKTNJKSA-N 0 3 324.449 3.634 20 30 DHEDHN Cc1cccc(-c2n[nH]cc2CNCc2cccc(C#N)c2)c1 ZINC000103341949 1025026843 /nfs/dbraw/zinc/02/68/43/1025026843.db2.gz PECZNWNTIYZMIX-UHFFFAOYSA-N 0 3 302.381 3.547 20 30 DHEDHN CN(C)C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000353598924 1025146104 /nfs/dbraw/zinc/14/61/04/1025146104.db2.gz VIJMYASAKKDOMI-PMACEKPBSA-N 0 3 323.415 3.577 20 30 DHEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)o2)C12CCCCC2 ZINC000353668687 1025190172 /nfs/dbraw/zinc/19/01/72/1025190172.db2.gz ZHYKQBUCOYWHOR-DLBZAZTESA-N 0 3 302.418 3.711 20 30 DHEDHN Cc1cc(CN[C@H](c2ccccc2)C2(CO)CCC2)ccc1C#N ZINC000354008010 1025319363 /nfs/dbraw/zinc/31/93/63/1025319363.db2.gz HBNNCZZOTKRPHU-HXUWFJFHSA-N 0 3 320.436 3.860 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC(F)F)cc2)n1 ZINC000041521793 1025407929 /nfs/dbraw/zinc/40/79/29/1025407929.db2.gz LQDFRSYZBOSOQR-NSHDSACASA-N 0 3 308.309 3.543 20 30 DHEDHN N#CC(C(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccncn1 ZINC000354472357 1025437534 /nfs/dbraw/zinc/43/75/34/1025437534.db2.gz OTXZBZHGCYJKMS-SFHVURJKSA-N 0 3 311.344 3.538 20 30 DHEDHN N#CC(C(=O)c1cccc(Oc2ccccc2)c1)c1ccncn1 ZINC000354466977 1025438460 /nfs/dbraw/zinc/43/84/60/1025438460.db2.gz KPHHJLPIOUXLFH-KRWDZBQOSA-N 0 3 315.332 3.759 20 30 DHEDHN N#CC1(C[C@@H](O)CN2CCCC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000886033534 1025445870 /nfs/dbraw/zinc/44/58/70/1025445870.db2.gz WOXKOIRBJMTXBF-QZTJIDSGSA-N 0 3 316.420 3.798 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@H]3CC[C@H](C4CC4)O3)CC2)cc1 ZINC000886100281 1025505064 /nfs/dbraw/zinc/50/50/64/1025505064.db2.gz JWRJKUMUTAWGPZ-WOJBJXKFSA-N 0 3 308.425 3.605 20 30 DHEDHN C[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1ccc(F)cc1Cl ZINC000886111590 1025511819 /nfs/dbraw/zinc/51/18/19/1025511819.db2.gz FEZBVQBRJWDEJS-AAEUAGOBSA-N 0 3 310.800 3.575 20 30 DHEDHN Cc1nn(-c2ccccc2C)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000886149787 1025531690 /nfs/dbraw/zinc/53/16/90/1025531690.db2.gz YMYSIVZQFHCZIY-DLBZAZTESA-N 0 3 308.429 3.579 20 30 DHEDHN C#CC[C@H]1CCN(Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000886366102 1025605720 /nfs/dbraw/zinc/60/57/20/1025605720.db2.gz XCMMBAYDVXZZJK-HNNXBMFYSA-N 0 3 317.392 3.735 20 30 DHEDHN Cc1ccccc1[C@@H](CO)N(C)Cc1ccccc1C(C)(C)C#N ZINC000886433773 1025625649 /nfs/dbraw/zinc/62/56/49/1025625649.db2.gz UGIPVBWYRIAGJQ-HXUWFJFHSA-N 0 3 322.452 3.962 20 30 DHEDHN C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573493643 1025721322 /nfs/dbraw/zinc/72/13/22/1025721322.db2.gz FCYPUCBPJDXEFO-KSSFIOAISA-N 0 3 321.380 3.844 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cnc2n1CCCC2 ZINC000573748362 1025747339 /nfs/dbraw/zinc/74/73/39/1025747339.db2.gz OITKVHZAVAIYNO-IBGZPJMESA-N 0 3 320.440 3.648 20 30 DHEDHN N#CCSCCCN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133285582 1025772596 /nfs/dbraw/zinc/77/25/96/1025772596.db2.gz XTBFZBZNJUNQSM-AWEZNQCLSA-N 0 3 324.877 3.830 20 30 DHEDHN CSc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1C#N ZINC000886690442 1025793547 /nfs/dbraw/zinc/79/35/47/1025793547.db2.gz WKRKTXKGWIYGQG-SFHVURJKSA-N 0 3 319.433 3.929 20 30 DHEDHN C#CC[C@H](N[C@@H](C)c1cccc(-n2ccnn2)c1)c1ccccc1 ZINC000806149652 1025807086 /nfs/dbraw/zinc/80/70/86/1025807086.db2.gz WATXUSHADOLAOJ-JXFKEZNVSA-N 0 3 316.408 3.683 20 30 DHEDHN C=CCC1(O)CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000886764227 1025884446 /nfs/dbraw/zinc/88/44/46/1025884446.db2.gz NWZIFWHDXQIMGD-UHFFFAOYSA-N 0 3 316.832 3.791 20 30 DHEDHN CCCN(Cc1cnc2ccc(C#N)cn12)Cc1ccc(C)cc1 ZINC000536631055 1025899714 /nfs/dbraw/zinc/89/97/14/1025899714.db2.gz FAOFRSKCTYUFSZ-UHFFFAOYSA-N 0 3 318.424 3.927 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886830545 1025952272 /nfs/dbraw/zinc/95/22/72/1025952272.db2.gz SYOBBPZKJMPFRV-NVXWUHKLSA-N 0 3 323.358 3.558 20 30 DHEDHN N#CCSCCCN(Cc1ccco1)Cc1ccccc1 ZINC000080626835 1025975789 /nfs/dbraw/zinc/97/57/89/1025975789.db2.gz VUFSWHZYNUYTJV-UHFFFAOYSA-N 0 3 300.427 3.929 20 30 DHEDHN C=CCCC1(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000356386929 1026039731 /nfs/dbraw/zinc/03/97/31/1026039731.db2.gz WSDOJUGHVOBWES-FUHWJXTLSA-N 0 3 312.457 3.512 20 30 DHEDHN C=CCOc1ccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000356526674 1026077286 /nfs/dbraw/zinc/07/72/86/1026077286.db2.gz ONJMRTQAPFHFOF-RTBURBONSA-N 0 3 313.441 3.785 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000090883621 1026087859 /nfs/dbraw/zinc/08/78/59/1026087859.db2.gz RVICIPHLMDSYMB-AWEZNQCLSA-N 0 3 317.408 3.563 20 30 DHEDHN CN(CCC#N)c1ccc(CNC2(c3ccc(F)cc3)CC2)cc1 ZINC000729685663 1026118547 /nfs/dbraw/zinc/11/85/47/1026118547.db2.gz INAHTOSVQLVGJM-UHFFFAOYSA-N 0 3 323.415 3.954 20 30 DHEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000614405933 1026299858 /nfs/dbraw/zinc/29/98/58/1026299858.db2.gz JIVGQDVQKSHRBX-LJQANCHMSA-N 0 3 310.372 3.659 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCCN(c2ccccc2F)CC1 ZINC000513371302 1026489398 /nfs/dbraw/zinc/48/93/98/1026489398.db2.gz NPOBURTYWVDJLZ-INIZCTEOSA-N 0 3 323.415 3.971 20 30 DHEDHN N#Cc1ccc(OCCCN2CCC=C(c3cccnc3)C2)cc1 ZINC000809568787 1026553414 /nfs/dbraw/zinc/55/34/14/1026553414.db2.gz XHZNNKPWVZZVOC-UHFFFAOYSA-N 0 3 319.408 3.511 20 30 DHEDHN C#C[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000809685292 1026592989 /nfs/dbraw/zinc/59/29/89/1026592989.db2.gz LWOBGHAAJLQYEC-NRFANRHFSA-N 0 3 318.420 3.885 20 30 DHEDHN CCN(Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)c1cccnc1 ZINC000809763993 1026620433 /nfs/dbraw/zinc/62/04/33/1026620433.db2.gz BWUPJGBKLWCWPF-CVEARBPZSA-N 0 3 309.413 3.956 20 30 DHEDHN C#C[C@@H](NCc1ccc(OC(F)F)c(OCC)c1)C(C)(C)C ZINC000809782562 1026624166 /nfs/dbraw/zinc/62/41/66/1026624166.db2.gz YNJGLFLXOYCPOQ-OAHLLOKOSA-N 0 3 311.372 3.824 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2cccc(C#N)c2)s1 ZINC000419838470 1026767759 /nfs/dbraw/zinc/76/77/59/1026767759.db2.gz OSYVVHAPHKKJSO-CYBMUJFWSA-N 0 3 324.409 3.558 20 30 DHEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@]23CCOC3)cc1 ZINC000421019898 1026918246 /nfs/dbraw/zinc/91/82/46/1026918246.db2.gz MXYCEDXCCFHRIL-HXUWFJFHSA-N 0 3 304.393 3.590 20 30 DHEDHN C=C(C)CNN=C(C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000811651694 1027050736 /nfs/dbraw/zinc/05/07/36/1027050736.db2.gz KIWRFPDOUHKKIX-UHFFFAOYSA-N 0 3 315.461 3.571 20 30 DHEDHN COCCN(Cc1cccc(C#N)c1F)C[C@@H]1CC=CCC1 ZINC000362258425 1027117180 /nfs/dbraw/zinc/11/71/80/1027117180.db2.gz AZASYFYSZLVQTJ-OAHLLOKOSA-N 0 3 302.393 3.502 20 30 DHEDHN N#CCCC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000571443583 1027128535 /nfs/dbraw/zinc/12/85/35/1027128535.db2.gz GYKIQEYXTYWIOV-UHFFFAOYSA-N 0 3 312.392 3.527 20 30 DHEDHN CCN(Cc1cccc(C#N)c1F)[C@H](C)[C@H](O)c1ccccc1 ZINC000812848243 1027445641 /nfs/dbraw/zinc/44/56/41/1027445641.db2.gz IMCQINDTHUXJFY-KUHUBIRLSA-N 0 3 312.388 3.641 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1F)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812854723 1027452738 /nfs/dbraw/zinc/45/27/38/1027452738.db2.gz VYRDQSKZZBPDCX-LIRRHRJNSA-N 0 3 312.388 3.641 20 30 DHEDHN N#CC(C(=O)C=Cc1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000813215955 1027564682 /nfs/dbraw/zinc/56/46/82/1027564682.db2.gz DBDGTWNNUONNIS-LMVHVUTASA-N 0 3 316.282 3.990 20 30 DHEDHN N#CCC1(CN2CCC(c3nc4c(s3)CCC4)CC2)CC1 ZINC000932620376 1027567356 /nfs/dbraw/zinc/56/73/56/1027567356.db2.gz GFLGRRXWTAMNOH-UHFFFAOYSA-N 0 3 301.459 3.505 20 30 DHEDHN Cc1cccc(O[C@H]2CCCC[C@H]2NCc2ccc(C#N)o2)c1 ZINC000158773974 1027634885 /nfs/dbraw/zinc/63/48/85/1027634885.db2.gz HSSCHBPNRQFNIY-MOPGFXCFSA-N 0 3 310.397 3.940 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cc2ccccc2s1 ZINC000527485128 1027717772 /nfs/dbraw/zinc/71/77/72/1027717772.db2.gz UBYOTILOFIIVFO-CQSZACIVSA-N 0 3 316.470 3.977 20 30 DHEDHN C=CC[C@@H](N[C@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccncc1 ZINC000813856898 1027734338 /nfs/dbraw/zinc/73/43/38/1027734338.db2.gz DLQUIMPESTYLAF-DNVCBOLYSA-N 0 3 323.440 3.751 20 30 DHEDHN N#Cc1ccc(C2CCN(C[C@H](O)c3ccccc3F)CC2)cc1 ZINC000933613686 1027776342 /nfs/dbraw/zinc/77/63/42/1027776342.db2.gz FGDAWTUIPSMXGB-FQEVSTJZSA-N 0 3 324.399 3.610 20 30 DHEDHN CC[C@H]1CCCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000577580432 1027829860 /nfs/dbraw/zinc/82/98/60/1027829860.db2.gz QCBCEHOPOHUUJL-INIZCTEOSA-N 0 3 310.401 3.763 20 30 DHEDHN COc1ccc([C@H]2CCCN2CCCCC(C)(C)C#N)nc1 ZINC000934343469 1027973996 /nfs/dbraw/zinc/97/39/96/1027973996.db2.gz LIABPQDGSACROK-QGZVFWFLSA-N 0 3 301.434 3.947 20 30 DHEDHN C=CCc1cc(OC)cc(CN2CCc3ccccc3C2)c1O ZINC000008052639 1027993614 /nfs/dbraw/zinc/99/36/14/1027993614.db2.gz NVKPVAOWZQREIU-UHFFFAOYSA-N 0 3 309.409 3.688 20 30 DHEDHN C[C@@H](N[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000601286175 1028061640 /nfs/dbraw/zinc/06/16/40/1028061640.db2.gz XJHINNBCZZYIQJ-ZNOIYHFQSA-N 0 3 310.372 3.878 20 30 DHEDHN COc1ccc([C@@H](N[C@H](C)c2ccc(C#N)cc2)C2CC2)cn1 ZINC000528044173 1028072799 /nfs/dbraw/zinc/07/27/99/1028072799.db2.gz RTEASGVWNOROIA-YJYMSZOUSA-N 0 3 307.397 3.764 20 30 DHEDHN CC(=O)c1ccc(C#N)c(NC[C@H]2CCN2C2CCCCC2)c1 ZINC000528118910 1028115541 /nfs/dbraw/zinc/11/55/41/1028115541.db2.gz SLRKNILOCIYHPL-GOSISDBHSA-N 0 3 311.429 3.580 20 30 DHEDHN CC(C)c1nccn1[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000369032377 1028436037 /nfs/dbraw/zinc/43/60/37/1028436037.db2.gz JIXAYFDTCNJBPE-GOSISDBHSA-N 0 3 308.429 3.715 20 30 DHEDHN CC1(C#N)CCC(NCc2c(F)cc(F)c(F)c2F)CC1 ZINC000449292470 1028530610 /nfs/dbraw/zinc/53/06/10/1028530610.db2.gz QQYMBBTWSHKUIT-UHFFFAOYSA-N 0 3 300.299 3.805 20 30 DHEDHN C=CC[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000815580884 1028554842 /nfs/dbraw/zinc/55/48/42/1028554842.db2.gz SKJRCLIRRVCDNA-WBMJQRKESA-N 0 3 312.373 3.540 20 30 DHEDHN Cc1ccccc1O[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000565488474 1028594606 /nfs/dbraw/zinc/59/46/06/1028594606.db2.gz MCGCIZNZSHINQT-ICSRJNTNSA-N 0 3 321.424 3.742 20 30 DHEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000076826082 1028734711 /nfs/dbraw/zinc/73/47/11/1028734711.db2.gz GWXCLAKZOKBNCD-WBVHZDCISA-N 0 3 314.429 3.618 20 30 DHEDHN N#CC(C(=O)CCCc1c[nH]c2ccccc12)c1ccccn1 ZINC000041493628 1028736491 /nfs/dbraw/zinc/73/64/91/1028736491.db2.gz GTYZJPBZZHXDBU-INIZCTEOSA-N 0 3 303.365 3.762 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2cc(Cl)c(Cl)n2C)n1 ZINC000041515756 1028742600 /nfs/dbraw/zinc/74/26/00/1028742600.db2.gz OBYJONLJPFGJRB-ZETCQYMHSA-N 0 3 314.197 3.587 20 30 DHEDHN N#Cc1ccc(-c2cnc(CN3CCC[C@@H]4CCC[C@H]43)o2)cc1 ZINC000371786408 1028758723 /nfs/dbraw/zinc/75/87/23/1028758723.db2.gz IKZMCXAUJICPLY-DOTOQJQBSA-N 0 3 307.397 3.978 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1 ZINC000011364979 1028763217 /nfs/dbraw/zinc/76/32/17/1028763217.db2.gz GDGKBYNLQGEEKR-UHFFFAOYSA-N 0 3 310.397 3.598 20 30 DHEDHN N#Cc1csc(CN[C@H]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000567034053 1028821096 /nfs/dbraw/zinc/82/10/96/1028821096.db2.gz ODNIAJSQSUKMNC-RDJZCZTQSA-N 0 3 311.454 3.906 20 30 DHEDHN N#Cc1csc(CN[C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000449768675 1028984267 /nfs/dbraw/zinc/98/42/67/1028984267.db2.gz SSTUIVQREJEPBT-OAHLLOKOSA-N 0 3 318.467 3.675 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000411179977 1029058011 /nfs/dbraw/zinc/05/80/11/1029058011.db2.gz LZIIZRPTXOWFPL-ZNMIVQPWSA-N 0 3 306.475 3.524 20 30 DHEDHN CC[C@@H](CC#N)N[C@H]1CCc2ccc(Br)cc2C1 ZINC001170856510 1029097951 /nfs/dbraw/zinc/09/79/51/1029097951.db2.gz MXXMTVLZSVITIW-GJZGRUSLSA-N 0 3 307.235 3.588 20 30 DHEDHN C[C@H](CCC#N)N[C@H]1CCOc2c(Br)cccc21 ZINC000411689569 1029186610 /nfs/dbraw/zinc/18/66/10/1029186610.db2.gz DAECQYRXDSFUHE-MFKMUULPSA-N 0 3 309.207 3.555 20 30 DHEDHN COCCC[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000282026889 1029257495 /nfs/dbraw/zinc/25/74/95/1029257495.db2.gz SSTFWRKOBBVUQH-LJQANCHMSA-N 0 3 312.388 3.955 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCCCC1(F)F ZINC000450316986 1029368492 /nfs/dbraw/zinc/36/84/92/1029368492.db2.gz RVWFPWBXADVMNO-QGZVFWFLSA-N 0 3 322.399 3.832 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000121076873 1029492549 /nfs/dbraw/zinc/49/25/49/1029492549.db2.gz IALQEKXKALHTGY-CABCVRRESA-N 0 3 306.475 3.698 20 30 DHEDHN CCc1ccc2nccc(N3CCC(C#N)(COC)CC3)c2c1 ZINC000450511877 1029522385 /nfs/dbraw/zinc/52/23/85/1029522385.db2.gz BYMQXKODMBPZMD-UHFFFAOYSA-N 0 3 309.413 3.554 20 30 DHEDHN C=C(C)COc1cc(CN2CCCSCC2)ccc1OC ZINC000357213090 1029949042 /nfs/dbraw/zinc/94/90/42/1029949042.db2.gz LKEWZHGHAXAUAA-UHFFFAOYSA-N 0 3 307.459 3.589 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@]3(CCOC3)C2)cc1 ZINC000451902498 1030052971 /nfs/dbraw/zinc/05/29/71/1030052971.db2.gz OMVDJDNFHXLEDC-KRWDZBQOSA-N 0 3 323.358 3.559 20 30 DHEDHN CC(C)(C)c1cnc(CN[C@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000865848673 1030058964 /nfs/dbraw/zinc/05/89/64/1030058964.db2.gz VDRAFUDZAJLYJP-HNNXBMFYSA-N 0 3 311.454 3.569 20 30 DHEDHN CC(C)(C)c1cnc(CN[C@@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000865848677 1030059224 /nfs/dbraw/zinc/05/92/24/1030059224.db2.gz VDRAFUDZAJLYJP-OAHLLOKOSA-N 0 3 311.454 3.569 20 30 DHEDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)CC(C)(C)C#N ZINC000924585854 1030131540 /nfs/dbraw/zinc/13/15/40/1030131540.db2.gz DLFPADFDOGVULR-OAHLLOKOSA-N 0 3 324.472 3.966 20 30 DHEDHN C=C(C)CN(CC[C@@H]1CC1(Cl)Cl)Cc1ccc(CO)o1 ZINC000823116250 1030213832 /nfs/dbraw/zinc/21/38/32/1030213832.db2.gz SPMOOOLRIHMSHK-GFCCVEGCSA-N 0 3 318.244 3.734 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cnc(C)s2)cc1 ZINC000866454095 1030306083 /nfs/dbraw/zinc/30/60/83/1030306083.db2.gz FAKHHLQCDACEQL-STQMWFEESA-N 0 3 300.427 3.875 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(OCC#N)cc1 ZINC000823617291 1030343856 /nfs/dbraw/zinc/34/38/56/1030343856.db2.gz IBCBGPSSRQRKCQ-HNNXBMFYSA-N 0 3 305.381 3.654 20 30 DHEDHN Cc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1[N+](=O)[O-] ZINC000866540876 1030362228 /nfs/dbraw/zinc/36/22/28/1030362228.db2.gz SJLYOLODQXFOIZ-QGZVFWFLSA-N 0 3 307.353 3.552 20 30 DHEDHN C=CCC[C@@H](C)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000866560244 1030368567 /nfs/dbraw/zinc/36/85/67/1030368567.db2.gz QMIHRLJZODXNTO-LLVKDONJSA-N 0 3 301.356 3.683 20 30 DHEDHN COC(=O)CC1(NCC#Cc2ccc(Cl)cc2)CCCCC1 ZINC000533527054 1030406813 /nfs/dbraw/zinc/40/68/13/1030406813.db2.gz OIPVNCMRSMCRQE-UHFFFAOYSA-N 0 3 319.832 3.547 20 30 DHEDHN CC[C@H](NCc1cc2c([nH]c1=O)CCCC2)c1ccc(C#N)cc1 ZINC000866642503 1030417738 /nfs/dbraw/zinc/41/77/38/1030417738.db2.gz MYBULSZOTITTBS-SFHVURJKSA-N 0 3 321.424 3.779 20 30 DHEDHN C[C@@H]1CN(c2cccc3cnccc32)CCN1CCC(C)(C)C#N ZINC000558118938 1030429850 /nfs/dbraw/zinc/42/98/50/1030429850.db2.gz SSAFYCOEGJARDC-MRXNPFEDSA-N 0 3 322.456 3.685 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc(-n3cccn3)cc2)cc1 ZINC000067693125 1030529156 /nfs/dbraw/zinc/52/91/56/1030529156.db2.gz PNQAVAFKMVYFJZ-UHFFFAOYSA-N 0 3 319.408 3.727 20 30 DHEDHN C[C@H]1CCCN(C(C)(C)CNc2ncc(C#N)cc2Cl)C1 ZINC000358868405 1030658313 /nfs/dbraw/zinc/65/83/13/1030658313.db2.gz BNNLLKCSUBTOAQ-LBPRGKRZSA-N 0 3 306.841 3.529 20 30 DHEDHN Cc1noc(C[C@@H](N[C@@H](C)CC(C)(C)C#N)c2ccccc2)n1 ZINC000926285779 1030687387 /nfs/dbraw/zinc/68/73/87/1030687387.db2.gz VMPXMQVEDCDFNO-XJKSGUPXSA-N 0 3 312.417 3.580 20 30 DHEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2F)C12CCCC2 ZINC000358996338 1030717539 /nfs/dbraw/zinc/71/75/39/1030717539.db2.gz DXCKCYKTKFFLAA-JKSUJKDBSA-N 0 3 302.393 3.525 20 30 DHEDHN C#Cc1cccc(CNCc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000825227107 1030754033 /nfs/dbraw/zinc/75/40/33/1030754033.db2.gz QFXSWRZDYJHNML-OAQYLSRUSA-N 0 3 321.420 3.516 20 30 DHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCCC#N ZINC000249475287 1030797227 /nfs/dbraw/zinc/79/72/27/1030797227.db2.gz VIFLXGGSXLEZRP-XHSDSOJGSA-N 0 3 306.450 3.655 20 30 DHEDHN N#Cc1ccc2c(c1)C[C@H](N[C@H]1COCc3cccc(Cl)c31)C2 ZINC000926812954 1030939693 /nfs/dbraw/zinc/93/96/93/1030939693.db2.gz PYGWCYSXKJKSQY-AEFFLSMTSA-N 0 3 324.811 3.540 20 30 DHEDHN CCN(CC)[C@@H](CNc1c(F)cc(C#N)cc1F)c1ccco1 ZINC000078613091 1031009858 /nfs/dbraw/zinc/00/98/58/1031009858.db2.gz FGSRZCACISDQKU-HNNXBMFYSA-N 0 3 319.355 3.924 20 30 DHEDHN N#Cc1cc(CN[C@@H](c2ccccc2)C2(CO)CCC2)ccc1F ZINC000292555253 1031073462 /nfs/dbraw/zinc/07/34/62/1031073462.db2.gz ANSDRSGGQASOJU-IBGZPJMESA-N 0 3 324.399 3.691 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CC2)c(Br)c1 ZINC000611500863 1031096705 /nfs/dbraw/zinc/09/67/05/1031096705.db2.gz WJUASKDWDGSIIA-OAHLLOKOSA-N 0 3 305.219 3.695 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC000273080051 1031279208 /nfs/dbraw/zinc/27/92/08/1031279208.db2.gz AUTWCWVUYJPEEZ-UHFFFAOYSA-N 0 3 324.424 3.717 20 30 DHEDHN C=CCc1cc(CN2CCS[C@H](C(C)C)C2)cc(OC)c1O ZINC000536672541 1031379694 /nfs/dbraw/zinc/37/96/94/1031379694.db2.gz SIPQYXIGWMTCHC-KRWDZBQOSA-N 0 3 321.486 3.703 20 30 DHEDHN CC[C@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000360336239 1031382420 /nfs/dbraw/zinc/38/24/20/1031382420.db2.gz JPUFJMKQKSTUBI-GOEBONIOSA-N 0 3 310.401 3.667 20 30 DHEDHN C=CCNC(=O)CN[C@@H](CC1CCCCC1)c1ccccc1 ZINC000537054035 1031496506 /nfs/dbraw/zinc/49/65/06/1031496506.db2.gz MZWSGGUXXQTAJM-SFHVURJKSA-N 0 3 300.446 3.590 20 30 DHEDHN C[C@H]([NH2+][C@H]1CCCN(c2ccccc2C#N)C1)c1ccccc1[O-] ZINC000360711035 1031530805 /nfs/dbraw/zinc/53/08/05/1031530805.db2.gz JCNMTPIGLLYGNE-RDJZCZTQSA-N 0 3 321.424 3.583 20 30 DHEDHN N#CC1(CCCCN2CCC[C@H](OCC(F)(F)F)C2)CCC1 ZINC000929679700 1031578304 /nfs/dbraw/zinc/57/83/04/1031578304.db2.gz PUDUUSOZPZJQNV-AWEZNQCLSA-N 0 3 318.383 3.894 20 30 DHEDHN Cc1oc2ccccc2c1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897602466 1031700394 /nfs/dbraw/zinc/70/03/94/1031700394.db2.gz QJHHHFJUYXKJDR-UHFFFAOYSA-N 0 3 311.381 3.579 20 30 DHEDHN COc1ccc(CN[C@@H](C)c2ccc[nH]2)cc1OCCCC#N ZINC000760444716 1031718476 /nfs/dbraw/zinc/71/84/76/1031718476.db2.gz FSPUPZSECNITKP-AWEZNQCLSA-N 0 3 313.401 3.557 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@H](Oc3ccccc3OC)C2)cc1 ZINC001144573426 1031721163 /nfs/dbraw/zinc/72/11/63/1031721163.db2.gz JLDKISWSKWFAOK-IBGZPJMESA-N 0 3 321.420 3.720 20 30 DHEDHN COc1ccc(C2(NCc3c(C)cc(C#N)cc3C)CC2)cc1 ZINC000930221870 1031741074 /nfs/dbraw/zinc/74/10/74/1031741074.db2.gz NOZKTHNQLLKOBY-UHFFFAOYSA-N 0 3 306.409 3.963 20 30 DHEDHN C[C@@H](CCc1c[nH]c2ccccc12)NCc1nc(C#N)cs1 ZINC000897625868 1031748637 /nfs/dbraw/zinc/74/86/37/1031748637.db2.gz JBQVKAHZMBDBRI-LBPRGKRZSA-N 0 3 310.426 3.607 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873986 1031749222 /nfs/dbraw/zinc/74/92/22/1031749222.db2.gz FSFSYVIVKMXNPU-SLEUVZQESA-N 0 3 309.337 3.678 20 30 DHEDHN COc1ccccc1C[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000476210482 1031763827 /nfs/dbraw/zinc/76/38/27/1031763827.db2.gz MHCLWGYCAMCAGC-GOSISDBHSA-N 0 3 324.399 3.913 20 30 DHEDHN Cc1cccc(N2CCN([C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171204239 1031803795 /nfs/dbraw/zinc/80/37/95/1031803795.db2.gz UWASWWCDFRPFLQ-GOSISDBHSA-N 0 3 319.452 3.620 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC3(CC3(F)F)CC2)cc1 ZINC000846054279 1031849529 /nfs/dbraw/zinc/84/95/29/1031849529.db2.gz KGINUMILQVKHAO-ZDUSSCGKSA-N 0 3 306.356 3.599 20 30 DHEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC(C)(C)C1 ZINC000361472309 1031940963 /nfs/dbraw/zinc/94/09/63/1031940963.db2.gz XAVISJYEGNBVNJ-HNNXBMFYSA-N 0 3 310.401 3.619 20 30 DHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000931062698 1032020611 /nfs/dbraw/zinc/02/06/11/1032020611.db2.gz SOQRTHHSPYEQNA-PBHICJAKSA-N 0 3 315.461 3.753 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@H](c2ccncc2)C2CC2)cc1 ZINC000898324158 1032022740 /nfs/dbraw/zinc/02/27/40/1032022740.db2.gz CHXJLEBISHFQKT-LIRRHRJNSA-N 0 3 307.397 3.613 20 30 DHEDHN C[C@@H](CN(C)CCC1(C#N)CCCCC1)NC(=O)OC(C)(C)C ZINC000860101252 1033298427 /nfs/dbraw/zinc/29/84/27/1033298427.db2.gz UZBIVKXPHTWWQW-HNNXBMFYSA-N 0 3 323.481 3.696 20 30 DHEDHN Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1-c1ccsc1 ZINC000877454596 1033304608 /nfs/dbraw/zinc/30/46/08/1033304608.db2.gz BHYYXARAXPEZCS-INIZCTEOSA-N 0 3 313.426 3.683 20 30 DHEDHN C[C@@H](CCC#N)CN[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000877471465 1033309930 /nfs/dbraw/zinc/30/99/30/1033309930.db2.gz XIQZTSLLPAROKL-RYUDHWBXSA-N 0 3 318.808 3.980 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc(Cl)c1N ZINC000877594808 1033373114 /nfs/dbraw/zinc/37/31/14/1033373114.db2.gz ZTNLVMWNSWINRB-KRWDZBQOSA-N 0 3 311.816 3.961 20 30 DHEDHN C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccc1[O-] ZINC000877756480 1033435386 /nfs/dbraw/zinc/43/53/86/1033435386.db2.gz LJRUKEXMANBQLR-HNNXBMFYSA-N 0 3 309.413 3.593 20 30 DHEDHN C=CC(C)(C)CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000877943493 1033525682 /nfs/dbraw/zinc/52/56/82/1033525682.db2.gz JGEKXCRWMSGMMA-AWEZNQCLSA-N 0 3 306.475 3.604 20 30 DHEDHN C=C[C@@](C)(O)CN1CCC[C@H]1c1cccc(Br)c1 ZINC001252558774 1033601444 /nfs/dbraw/zinc/60/14/44/1033601444.db2.gz IVWVUAOBQVBUSU-LSDHHAIUSA-N 0 3 310.235 3.523 20 30 DHEDHN C=CCOC1CCC(n2nc(-c3ccccc3)cc2CN)CC1 ZINC001173313434 1033665496 /nfs/dbraw/zinc/66/54/96/1033665496.db2.gz XDIYTMKTMUBJON-UHFFFAOYSA-N 0 3 311.429 3.695 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1C[C@@H](C)CC(C)(C)C1)c1ccccc1 ZINC000878403628 1033691388 /nfs/dbraw/zinc/69/13/88/1033691388.db2.gz DERXJIUFHIDBHJ-OXJNMPFZSA-N 0 3 312.457 3.795 20 30 DHEDHN CC(C)(C)SCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000878558059 1033750341 /nfs/dbraw/zinc/75/03/41/1033750341.db2.gz RBRSBGXOGJMPNH-UHFFFAOYSA-N 0 3 317.502 3.861 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1CCC(C)(C2CC2)CC1)c1ccccc1 ZINC000878629734 1033773527 /nfs/dbraw/zinc/77/35/27/1033773527.db2.gz IYDFAQFCWNWEOB-OAQYLSRUSA-N 0 3 324.468 3.939 20 30 DHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(O)c2)o1 ZINC000878885473 1033852908 /nfs/dbraw/zinc/85/29/08/1033852908.db2.gz IAEGGZZPGPPLPR-BBRMVZONSA-N 0 3 313.401 3.667 20 30 DHEDHN C#CC[C@H]1CCN(Cc2cc(Cl)c(OCC)c(OC)c2)C1 ZINC000862443200 1033854924 /nfs/dbraw/zinc/85/49/24/1033854924.db2.gz LQHDHKRIHVDMRG-ZDUSSCGKSA-N 0 3 307.821 3.593 20 30 DHEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2O)o1 ZINC000878885601 1033856638 /nfs/dbraw/zinc/85/66/38/1033856638.db2.gz LFDBRHLPYUPDHN-HIFRSBDPSA-N 0 3 313.401 3.667 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2cc(Cl)c(OC)c(OCC)c2)C1 ZINC000862443847 1033857228 /nfs/dbraw/zinc/85/72/28/1033857228.db2.gz VRGYULKPBAXOGB-CYBMUJFWSA-N 0 3 307.821 3.593 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878991853 1033885742 /nfs/dbraw/zinc/88/57/42/1033885742.db2.gz PFQDJVCXMJGKJF-HSALFYBXSA-N 0 3 308.425 3.610 20 30 DHEDHN CO[C@H](CNCc1ccc(C#N)s1)c1cccc(Cl)c1 ZINC000176978941 1034125617 /nfs/dbraw/zinc/12/56/17/1034125617.db2.gz IXXSKUOMXQPDSQ-OAHLLOKOSA-N 0 3 306.818 3.750 20 30 DHEDHN COC(=O)c1ccc2c(c1)CCN(CCCCC(C)(C)C#N)C2 ZINC000880351454 1034303474 /nfs/dbraw/zinc/30/34/74/1034303474.db2.gz UOOKHHWCYTVTIG-UHFFFAOYSA-N 0 3 314.429 3.551 20 30 DHEDHN CCN(Cc1cnn2ccccc12)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464061 1034311620 /nfs/dbraw/zinc/31/16/20/1034311620.db2.gz MBMQXBLVGWHBQR-HNNXBMFYSA-N 0 3 304.397 3.789 20 30 DHEDHN COc1ccc(NC2=CCCN(Cc3ccccc3)C2)cc1C#N ZINC001174397060 1034325762 /nfs/dbraw/zinc/32/57/62/1034325762.db2.gz LWVWGOMVQANNCY-UHFFFAOYSA-N 0 3 319.408 3.769 20 30 DHEDHN CC(C)[C@@H]1CCCN1Cc1ccc(C#N)cc1Br ZINC000480654738 1034374464 /nfs/dbraw/zinc/37/44/64/1034374464.db2.gz RJFBQBMWCOSKCN-HNNXBMFYSA-N 0 3 307.235 3.941 20 30 DHEDHN CCCCCCCCN1CCCC[C@H]1CCS(C)(=O)=O ZINC000794742493 1034439113 /nfs/dbraw/zinc/43/91/13/1034439113.db2.gz AYOSLCCSJGOLSY-INIZCTEOSA-N 0 3 303.512 3.636 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCC(C)(C)O2)c([O-])c1 ZINC000777402991 1034443370 /nfs/dbraw/zinc/44/33/70/1034443370.db2.gz VEKUBDYXMKDSBN-JJBLJPBOSA-N 0 3 304.434 3.615 20 30 DHEDHN C[C@@H](O)CN(Cc1ccc(Cl)cc1C#N)C1CCCCC1 ZINC000480773265 1034443917 /nfs/dbraw/zinc/44/39/17/1034443917.db2.gz WICFNOODMHJIFO-CYBMUJFWSA-N 0 3 306.837 3.727 20 30 DHEDHN C#CCCCCC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000773429575 1034689946 /nfs/dbraw/zinc/68/99/46/1034689946.db2.gz NFZUSQOMSQFGTO-UHFFFAOYSA-N 0 3 318.505 3.539 20 30 DHEDHN C=CCCC[C@H](C)NCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865522351 1034690405 /nfs/dbraw/zinc/69/04/05/1034690405.db2.gz OVHSFCWOYUZMFH-ZDUSSCGKSA-N 0 3 320.437 3.658 20 30 DHEDHN COc1cccc(C2(F)CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000555503955 1034768295 /nfs/dbraw/zinc/76/82/95/1034768295.db2.gz ZKDDSGITBNRFIT-GOEBONIOSA-N 0 3 302.393 3.648 20 30 DHEDHN CCN1CCN(c2ccc(Nc3ccsc3C#N)cc2)CC1 ZINC001175783250 1035121310 /nfs/dbraw/zinc/12/13/10/1035121310.db2.gz HVAIWKJOTBDLKY-UHFFFAOYSA-N 0 3 312.442 3.505 20 30 DHEDHN C[C@@H](Cc1ccc(O)cc1)N(C)CC#Cc1ccc(Cl)cc1 ZINC000483610590 1035283393 /nfs/dbraw/zinc/28/33/93/1035283393.db2.gz CLDBTJQROSLLPO-HNNXBMFYSA-N 0 3 313.828 3.960 20 30 DHEDHN Cc1cc(C)c(CN2CCc3c(C#N)c(N)sc3C2)c(C)c1 ZINC001176771655 1035330160 /nfs/dbraw/zinc/33/01/60/1035330160.db2.gz QGKKCWCRBJYFGR-UHFFFAOYSA-N 0 3 311.454 3.686 20 30 DHEDHN C#CCN(Cc1ccc(C#N)cc1C(F)(F)F)C1CCCC1 ZINC000811466312 1035330361 /nfs/dbraw/zinc/33/03/61/1035330361.db2.gz UYSXQPDFSNSUSV-UHFFFAOYSA-N 0 3 306.331 3.955 20 30 DHEDHN C=CC[C@@H](NCc1ccc(OCCOC)cc1)c1ccncc1 ZINC001177885733 1035396880 /nfs/dbraw/zinc/39/68/80/1035396880.db2.gz SKSZTIOTRSZOGP-LJQANCHMSA-N 0 3 312.413 3.514 20 30 DHEDHN N#CC(Cc1cccs1)C(=O)Nc1cc(C2CCCC2)no1 ZINC001177903716 1035397780 /nfs/dbraw/zinc/39/77/80/1035397780.db2.gz KIYSPEBRXYPHPW-LBPRGKRZSA-N 0 3 315.398 3.715 20 30 DHEDHN N#CC(Cc1cccs1)C(=O)Nc1nc2ccccc2s1 ZINC001177903697 1035398043 /nfs/dbraw/zinc/39/80/43/1035398043.db2.gz FEHJHQMNOUTSHM-SNVBAGLBSA-N 0 3 313.407 3.679 20 30 DHEDHN C=CCSCCNCc1cc(Br)ccc1F ZINC000163898609 1035419830 /nfs/dbraw/zinc/41/98/30/1035419830.db2.gz MZAUSCPAMPCDIE-UHFFFAOYSA-N 0 3 304.228 3.597 20 30 DHEDHN CS[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000773764311 1035443115 /nfs/dbraw/zinc/44/31/15/1035443115.db2.gz PFSSPVOJJCZPAK-GXFFZTMASA-N 0 3 324.833 3.519 20 30 DHEDHN C=C[C@H](CO)NCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC001179222832 1035469377 /nfs/dbraw/zinc/46/93/77/1035469377.db2.gz SUFPGWLEAOINNC-QGZVFWFLSA-N 0 3 317.816 3.556 20 30 DHEDHN C[NH+](C)CC[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1cccnc1 ZINC000905003214 1035474429 /nfs/dbraw/zinc/47/44/29/1035474429.db2.gz PRMVCJAQKKJLJO-DDLUMYACSA-N 0 3 317.820 3.553 20 30 DHEDHN CC(C)(C)CN(CC(=O)Nc1cccc(C#N)c1)CC(C)(C)C ZINC001192977685 1035534570 /nfs/dbraw/zinc/53/45/70/1035534570.db2.gz ZDOLBURPMDEVCZ-UHFFFAOYSA-N 0 3 315.461 3.891 20 30 DHEDHN C=C[C@@H](C)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494585885 1035572018 /nfs/dbraw/zinc/57/20/18/1035572018.db2.gz ZWNQWVFLYXMXAY-GFCCVEGCSA-N 0 3 309.335 3.614 20 30 DHEDHN CN(CCOc1ccccc1C#N)Cc1ccc(F)c(Cl)c1 ZINC001193392972 1035627151 /nfs/dbraw/zinc/62/71/51/1035627151.db2.gz QPBVOCMTQBERCN-UHFFFAOYSA-N 0 3 318.779 3.862 20 30 DHEDHN C=CCN(Cc1cnc2nc(C)cc(C)n12)CC1CCCCC1 ZINC001180293143 1035647843 /nfs/dbraw/zinc/64/78/43/1035647843.db2.gz VVLQHXYRIUJAOY-UHFFFAOYSA-N 0 3 312.461 3.914 20 30 DHEDHN N#CC1(C[C@@H](O)CN2CC3(CCC3)[C@@H]2c2ccccc2)CCC1 ZINC000905956540 1035714816 /nfs/dbraw/zinc/71/48/16/1035714816.db2.gz KSEXCNLQFAVMKU-MSOLQXFVSA-N 0 3 310.441 3.658 20 30 DHEDHN CC(C)C[C@@H](C)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001193987147 1035791267 /nfs/dbraw/zinc/79/12/67/1035791267.db2.gz AUHWWUMVVAJANG-QAPCUYQASA-N 0 3 319.880 3.957 20 30 DHEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2F)C12CCCCC2 ZINC001194090536 1035841639 /nfs/dbraw/zinc/84/16/39/1035841639.db2.gz JHWBVTBTFGCHNV-IAGOWNOFSA-N 0 3 316.420 3.915 20 30 DHEDHN CCCCO[C@H]1C[C@@H](NCc2cc(C#N)ccc2OC)C1(C)C ZINC001194190993 1035868367 /nfs/dbraw/zinc/86/83/67/1035868367.db2.gz MWOKRKFUOWOHDD-MSOLQXFVSA-N 0 3 316.445 3.640 20 30 DHEDHN CCO[C@H]1C[C@H](NCC#Cc2ccccc2Cl)C12CCC2 ZINC001194446188 1035940096 /nfs/dbraw/zinc/94/00/96/1035940096.db2.gz NWEJUBDMMAOAQF-IRXDYDNUSA-N 0 3 303.833 3.629 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000540405479 1036058828 /nfs/dbraw/zinc/05/88/28/1036058828.db2.gz DQKJQXQJQQCFRU-IRXDYDNUSA-N 0 3 300.446 3.543 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C)cc1 ZINC000773979768 1036109323 /nfs/dbraw/zinc/10/93/23/1036109323.db2.gz KXGLYXLORJIQEA-BBRMVZONSA-N 0 3 314.429 3.969 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC000914701327 1036250370 /nfs/dbraw/zinc/25/03/70/1036250370.db2.gz GGQJAAPZNRHRGE-LZAZYHHXSA-N 0 3 324.424 3.661 20 30 DHEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000541687408 1036401150 /nfs/dbraw/zinc/40/11/50/1036401150.db2.gz SNFVNYCFFVRPGX-WTOJCKNJSA-N 0 3 310.372 3.740 20 30 DHEDHN C=CCN(C[C@@H]1CCC[C@H](c2ccccc2)O1)[C@H](C)COC ZINC001196048499 1036431176 /nfs/dbraw/zinc/43/11/76/1036431176.db2.gz WOTIQNKILWTQJC-NZSAHSFTSA-N 0 3 303.446 3.820 20 30 DHEDHN COc1cc(CN2CCC(CC#N)CC2)ccc1OC(C)C ZINC000541921468 1036461718 /nfs/dbraw/zinc/46/17/18/1036461718.db2.gz IQMWSDNOCVSJBQ-UHFFFAOYSA-N 0 3 302.418 3.608 20 30 DHEDHN C[C@H]1CC2(CCC2)CN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000762142297 1036557353 /nfs/dbraw/zinc/55/73/53/1036557353.db2.gz NCYQZGKXPVKKKW-HNNXBMFYSA-N 0 3 306.413 3.644 20 30 DHEDHN Cc1cccc([C@H](NCC(=O)Nc2ccc(C#N)cc2)C(C)C)c1 ZINC001196782092 1036621619 /nfs/dbraw/zinc/62/16/19/1036621619.db2.gz MCACKFHUOMNQLN-HXUWFJFHSA-N 0 3 321.424 3.792 20 30 DHEDHN CN(CCc1cccc(C#N)c1)Cc1ccccc1OC(F)F ZINC001197105055 1036689143 /nfs/dbraw/zinc/68/91/43/1036689143.db2.gz PAIHVYBXDZEPPV-UHFFFAOYSA-N 0 3 316.351 3.834 20 30 DHEDHN C=CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC001184407630 1036836518 /nfs/dbraw/zinc/83/65/18/1036836518.db2.gz SZIGRBAMCNTWMW-MRXNPFEDSA-N 0 3 320.864 3.634 20 30 DHEDHN N#Cc1ccc(Br)c(CN2CC[C@H](C3CC3)C2)c1 ZINC000492584051 1036934348 /nfs/dbraw/zinc/93/43/48/1036934348.db2.gz SOUASLSGHMGJCG-ZDUSSCGKSA-N 0 3 305.219 3.553 20 30 DHEDHN C#CCC1(NCc2ccn(CCc3ccccc3)n2)CCCCC1 ZINC001198084425 1036941957 /nfs/dbraw/zinc/94/19/57/1036941957.db2.gz IAUIOLKOORJOJK-UHFFFAOYSA-N 0 3 321.468 3.942 20 30 DHEDHN C#CCN(C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H]1CCCc2ccccc21 ZINC001198104882 1036955978 /nfs/dbraw/zinc/95/59/78/1036955978.db2.gz VEAPCSXHLSBXAL-MMKMLUHNSA-N 0 3 309.453 3.957 20 30 DHEDHN N#Cc1ccc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001198211422 1036968659 /nfs/dbraw/zinc/96/86/59/1036968659.db2.gz UZJNUGSJYPAREL-UHFFFAOYSA-N 0 3 321.380 3.846 20 30 DHEDHN CN(CCCC(=O)OC(C)(C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001198442150 1037034071 /nfs/dbraw/zinc/03/40/71/1037034071.db2.gz XQZUHIAQJXPFNU-UHFFFAOYSA-N 0 3 322.836 3.765 20 30 DHEDHN C[C@@H]1CN(c2c(Cl)cccc2C#N)CCN(C2CCC2)C1 ZINC000488749764 1037130551 /nfs/dbraw/zinc/13/05/51/1037130551.db2.gz JOSQRQULNTVKEC-ZDUSSCGKSA-N 0 3 303.837 3.522 20 30 DHEDHN C=CCC[C@@H](C(=O)N(CCC)CCN(C)C)c1ccccc1 ZINC000489028546 1037233528 /nfs/dbraw/zinc/23/35/28/1037233528.db2.gz QPGRLSOVSVGKRF-GOSISDBHSA-N 0 3 302.462 3.537 20 30 DHEDHN C=CCC[C@H](C(=O)N(CCC)CCN(C)C)c1ccccc1 ZINC000489028552 1037233681 /nfs/dbraw/zinc/23/36/81/1037233681.db2.gz QPGRLSOVSVGKRF-SFHVURJKSA-N 0 3 302.462 3.537 20 30 DHEDHN CCCCCCCC[C@H](N)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000911918220 1037236879 /nfs/dbraw/zinc/23/68/79/1037236879.db2.gz UMEOAVIKMVFTMM-KRWDZBQOSA-N 0 3 319.449 3.661 20 30 DHEDHN Cc1nsc(NCCN2CCC3(CCCCC3)CC2)c1C#N ZINC001186247739 1037343574 /nfs/dbraw/zinc/34/35/74/1037343574.db2.gz FFRITZZJBUCJCL-UHFFFAOYSA-N 0 3 318.490 3.781 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C)c(OC)c2)c1 ZINC000774992094 1037351269 /nfs/dbraw/zinc/35/12/69/1037351269.db2.gz LPZNLJWBAHJZFA-SFHVURJKSA-N 0 3 324.424 3.974 20 30 DHEDHN COCCN(Cc1ccc(Cl)cc1C#N)[C@@H]1CCC[C@H]1C ZINC000488061552 1037609865 /nfs/dbraw/zinc/60/98/65/1037609865.db2.gz KXQJYTJMZYHEHJ-CXAGYDPISA-N 0 3 306.837 3.849 20 30 DHEDHN N#Cc1cccc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC001201470204 1037704795 /nfs/dbraw/zinc/70/47/95/1037704795.db2.gz MYEGEKBSPDAAFE-MOPGFXCFSA-N 0 3 316.408 3.686 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2OCC(F)(F)F)C1 ZINC000185792776 1037839558 /nfs/dbraw/zinc/83/95/58/1037839558.db2.gz FLKDWQNIAUTOCW-GXTWGEPZSA-N 0 3 312.335 3.800 20 30 DHEDHN CCCCCCCCN1CCCn2nc(C(=O)OCC)cc2C1 ZINC001201804878 1037899673 /nfs/dbraw/zinc/89/96/73/1037899673.db2.gz WDAOVBVZQSDYOB-UHFFFAOYSA-N 0 3 321.465 3.626 20 30 DHEDHN CCCCCCCN1Cc2cn(CC)nc2[C@@H](COCC)C1 ZINC001201776337 1037904135 /nfs/dbraw/zinc/90/41/35/1037904135.db2.gz BVKMDFOJCCIDNL-QGZVFWFLSA-N 0 3 307.482 3.809 20 30 DHEDHN COc1ccc(C[C@@H](C)CN(CCC#N)CC2CC2)cc1F ZINC000186690169 1037924478 /nfs/dbraw/zinc/92/44/78/1037924478.db2.gz PPPFTRKZWQFDBR-CQSZACIVSA-N 0 3 304.409 3.639 20 30 DHEDHN CCCCCCCCCCN(C)C1CCS(=O)(=O)CC1 ZINC001201875427 1037927250 /nfs/dbraw/zinc/92/72/50/1037927250.db2.gz ZRGFRCNXAMMROC-UHFFFAOYSA-N 0 3 303.512 3.636 20 30 DHEDHN CCCCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000916903525 1038030780 /nfs/dbraw/zinc/03/07/80/1038030780.db2.gz OZAGWVNXGKHZDM-OAHLLOKOSA-N 0 3 300.402 3.649 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCC(C)(C)CC2)CC1 ZINC000126127601 1038032528 /nfs/dbraw/zinc/03/25/28/1038032528.db2.gz TXHCCPXZSHBZJL-UHFFFAOYSA-N 0 3 321.509 3.637 20 30 DHEDHN CC(C)C(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000916908606 1038041224 /nfs/dbraw/zinc/04/12/24/1038041224.db2.gz NCQJWJCWYWILCG-HNNXBMFYSA-N 0 3 322.364 3.782 20 30 DHEDHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000571689508 1038181487 /nfs/dbraw/zinc/18/14/87/1038181487.db2.gz UHHVJUZRRRCGGH-GDBMZVCRSA-N 0 3 310.445 3.853 20 30 DHEDHN CN(Cc1cc(C#N)n(C)c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000589205882 1038449770 /nfs/dbraw/zinc/44/97/70/1038449770.db2.gz UCXIPBBRQYZCEU-RBUKOAKNSA-N 0 3 323.440 3.575 20 30 DHEDHN C=C(C)COc1cccc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000589701120 1038533141 /nfs/dbraw/zinc/53/31/41/1038533141.db2.gz GLWYJVNOOCNTFJ-OWCLPIDISA-N 0 3 316.445 3.841 20 30 DHEDHN C=C(C)COc1cccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000589701121 1038534162 /nfs/dbraw/zinc/53/41/62/1038534162.db2.gz GLWYJVNOOCNTFJ-XHSDSOJGSA-N 0 3 316.445 3.841 20 30 DHEDHN COc1cc(CNCc2cc(C)cc(Cl)c2)ccc1C#N ZINC000590191761 1038602276 /nfs/dbraw/zinc/60/22/76/1038602276.db2.gz IEOPJFPEUVZQQG-UHFFFAOYSA-N 0 3 300.789 3.819 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000057620409 1038691204 /nfs/dbraw/zinc/69/12/04/1038691204.db2.gz PUGASJVPHSEZEJ-GOSISDBHSA-N 0 3 318.848 3.581 20 30 DHEDHN C=C1CCC(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC001626116524 1038692501 /nfs/dbraw/zinc/69/25/01/1038692501.db2.gz UPUUFEHXZMCOCL-QGZVFWFLSA-N 0 3 320.864 3.805 20 30 DHEDHN N#Cc1cnc(N[C@H](CN2CCCCC2)c2ccccc2)c(F)c1 ZINC000591147492 1038764016 /nfs/dbraw/zinc/76/40/16/1038764016.db2.gz JQKSMJQZWLYXNY-GOSISDBHSA-N 0 3 324.403 3.731 20 30 DHEDHN CCCCCCCC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000760823017 1038822821 /nfs/dbraw/zinc/82/28/21/1038822821.db2.gz PLRAIKIAGLRJND-INIZCTEOSA-N 0 3 318.461 3.703 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2cccnc21 ZINC000591348978 1038837492 /nfs/dbraw/zinc/83/74/92/1038837492.db2.gz VJGPXBXMBVFUQU-RBUKOAKNSA-N 0 3 303.409 3.998 20 30 DHEDHN N#CCC[C@H](C#N)CNCC[C@H](c1ccccc1)C(F)(F)F ZINC000591374646 1038842287 /nfs/dbraw/zinc/84/22/87/1038842287.db2.gz QLMVCQZEWQEVPI-UKRRQHHQSA-N 0 3 309.335 3.756 20 30 DHEDHN N#CCC[C@H](C#N)CNCC[C@@H](c1ccccc1)C(F)(F)F ZINC000591374645 1038843274 /nfs/dbraw/zinc/84/32/74/1038843274.db2.gz QLMVCQZEWQEVPI-HIFRSBDPSA-N 0 3 309.335 3.756 20 30 DHEDHN N#CCOc1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000170686207 1038869338 /nfs/dbraw/zinc/86/93/38/1038869338.db2.gz OBFUQHXAUOVNBW-UHFFFAOYSA-N 0 3 320.314 3.898 20 30 DHEDHN CC[C@H](OCCNCc1cc(C#N)cs1)c1ccccc1 ZINC000593664166 1038993736 /nfs/dbraw/zinc/99/37/36/1038993736.db2.gz HDLASHFIEJPCJK-KRWDZBQOSA-N 0 3 300.427 3.877 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000599094075 1039041057 /nfs/dbraw/zinc/04/10/57/1039041057.db2.gz ZDJVITCHWRAZPE-VCTAVGKDSA-N 0 3 313.228 3.699 20 30 DHEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCC(C)(C)C ZINC000592144817 1039125873 /nfs/dbraw/zinc/12/58/73/1039125873.db2.gz IYEMZEHNSLHFKS-MRXNPFEDSA-N 0 3 315.461 3.690 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(C)c(C#N)c2)c1 ZINC000599348858 1039127127 /nfs/dbraw/zinc/12/71/27/1039127127.db2.gz NJKAUXOWDLOLPK-AWEZNQCLSA-N 0 3 307.397 3.676 20 30 DHEDHN CC[C@@H](NCc1ccc(C)c(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000599350389 1039128152 /nfs/dbraw/zinc/12/81/52/1039128152.db2.gz WWIYKVPCAAQFLM-GOSISDBHSA-N 0 3 322.408 3.879 20 30 DHEDHN Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCC2)cc1C#N ZINC000599426806 1039150126 /nfs/dbraw/zinc/15/01/26/1039150126.db2.gz QYDJQBQCTSNUEO-HXUWFJFHSA-N 0 3 320.436 3.860 20 30 DHEDHN N#Cc1ccccc1CN1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000592168622 1039162427 /nfs/dbraw/zinc/16/24/27/1039162427.db2.gz SWIGOUTVJXYKOQ-SFTDATJTSA-N 0 3 320.436 3.516 20 30 DHEDHN N#Cc1cccc(OCCN2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000603868489 1039203782 /nfs/dbraw/zinc/20/37/82/1039203782.db2.gz PBLKVGSEDASGJA-LJQANCHMSA-N 0 3 310.372 3.913 20 30 DHEDHN N#CCSCCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593126459 1039451289 /nfs/dbraw/zinc/45/12/89/1039451289.db2.gz VOTVBIZWYUSRIT-BZSNNMDCSA-N 0 3 316.470 3.628 20 30 DHEDHN CCCN(CC(=O)Nc1cc(Cl)ccc1C#N)CC(C)C ZINC000604492883 1039485777 /nfs/dbraw/zinc/48/57/77/1039485777.db2.gz PNRKLMBZKBYTFN-UHFFFAOYSA-N 0 3 307.825 3.518 20 30 DHEDHN COc1ccc(C[C@H](C)CNCC2(C#N)CCCC2)cc1F ZINC000593653266 1039579175 /nfs/dbraw/zinc/57/91/75/1039579175.db2.gz HEWYYQHMIXQDNB-AWEZNQCLSA-N 0 3 304.409 3.686 20 30 DHEDHN CC(C)O[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000593659357 1039584078 /nfs/dbraw/zinc/58/40/78/1039584078.db2.gz LBVFKXVXBGNVTL-IBGZPJMESA-N 0 3 316.445 3.759 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000046477130 1039681280 /nfs/dbraw/zinc/68/12/80/1039681280.db2.gz LLWSBMXACXIUFM-UHFFFAOYSA-N 0 3 324.424 3.899 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000605738762 1039744101 /nfs/dbraw/zinc/74/41/01/1039744101.db2.gz NCQFVANECQHSKH-SFHVURJKSA-N 0 3 302.462 3.788 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000172116916 1039746592 /nfs/dbraw/zinc/74/65/92/1039746592.db2.gz BKZONHINIYPZJE-SFTDATJTSA-N 0 3 321.420 3.709 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000594444762 1039783266 /nfs/dbraw/zinc/78/32/66/1039783266.db2.gz CLKIANIEBUFODW-MSOLQXFVSA-N 0 3 319.493 3.749 20 30 DHEDHN CC(C)[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1Cl ZINC000594442974 1039783678 /nfs/dbraw/zinc/78/36/78/1039783678.db2.gz DUWHDGIJIBLTNL-CVEARBPZSA-N 0 3 321.852 3.565 20 30 DHEDHN CC(C)CCc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594431727 1039783896 /nfs/dbraw/zinc/78/38/96/1039783896.db2.gz QKCXTTVGKKQVJF-MRXNPFEDSA-N 0 3 301.434 3.625 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000594425619 1039789322 /nfs/dbraw/zinc/78/93/22/1039789322.db2.gz LOZDBNIJPWLDDY-GOSISDBHSA-N 0 3 323.396 3.829 20 30 DHEDHN CC(C)(C#N)c1ccc(CN[C@H](CCO)c2ccccc2)cc1 ZINC000594512304 1039818248 /nfs/dbraw/zinc/81/82/48/1039818248.db2.gz JTHPIUNIBCCUFC-LJQANCHMSA-N 0 3 308.425 3.701 20 30 DHEDHN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1cccc(CO)c1 ZINC000594517197 1039824276 /nfs/dbraw/zinc/82/42/76/1039824276.db2.gz HTOUABUKTVMHIA-HNNXBMFYSA-N 0 3 306.409 3.781 20 30 DHEDHN CS[C@@H](C(=O)C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000172544512 1039929514 /nfs/dbraw/zinc/92/95/14/1039929514.db2.gz JTAVOOIYBRNTDH-GXTWGEPZSA-N 0 3 302.424 3.732 20 30 DHEDHN CS[C@H](C(=O)C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000172544521 1039930826 /nfs/dbraw/zinc/93/08/26/1039930826.db2.gz JTAVOOIYBRNTDH-JSGCOSHPSA-N 0 3 302.424 3.732 20 30 DHEDHN CC(=O)Nc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000594968854 1039945930 /nfs/dbraw/zinc/94/59/30/1039945930.db2.gz UCXIPKULDRNZID-UHFFFAOYSA-N 0 3 307.397 3.542 20 30 DHEDHN COC(=O)c1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594033003 1039969355 /nfs/dbraw/zinc/96/93/55/1039969355.db2.gz VFKQZOGLFRNUNA-UHFFFAOYSA-N 0 3 320.392 3.514 20 30 DHEDHN C[C@H](O)[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595101958 1040067458 /nfs/dbraw/zinc/06/74/58/1040067458.db2.gz GQJKHOBLLYUKIM-GKCIPKSASA-N 0 3 306.409 3.647 20 30 DHEDHN COCC[C@H](Cc1cccc(F)c1)NCC1(C#N)CCCCC1 ZINC000595090044 1040076918 /nfs/dbraw/zinc/07/69/18/1040076918.db2.gz BWJMQWOFQNWTIY-GOSISDBHSA-N 0 3 318.436 3.837 20 30 DHEDHN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)CCCSCC#N ZINC000595514161 1040157393 /nfs/dbraw/zinc/15/73/93/1040157393.db2.gz BARLZMATTGOVSZ-LLVKDONJSA-N 0 3 322.865 3.856 20 30 DHEDHN N#CC[C@@H]1CCCN(CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000595616640 1040191899 /nfs/dbraw/zinc/19/18/99/1040191899.db2.gz VGSGFBPXEIJIEQ-ZDUSSCGKSA-N 0 3 312.335 3.710 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCOC(C2CC2)(C2CC2)C1 ZINC000595822305 1040249089 /nfs/dbraw/zinc/24/90/89/1040249089.db2.gz PZYHTTQGSKMNRA-UHFFFAOYSA-N 0 3 324.468 3.879 20 30 DHEDHN C[C@@H](C#N)c1ccc(-c2ccccc2CN2CCN(C)CC2)cc1 ZINC000596638776 1040534787 /nfs/dbraw/zinc/53/47/87/1040534787.db2.gz CLTSYNBDBUKAJO-KRWDZBQOSA-N 0 3 319.452 3.728 20 30 DHEDHN C#CCCCN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000174274313 1040610370 /nfs/dbraw/zinc/61/03/70/1040610370.db2.gz ZOHMQSVOGKEVTC-GOSISDBHSA-N 0 3 310.372 3.509 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979769 1040614344 /nfs/dbraw/zinc/61/43/44/1040614344.db2.gz NZMPHRMGPGWIFO-UHFFFAOYSA-N 0 3 301.393 3.745 20 30 DHEDHN CC[C@@H](Cc1ccc(Br)cc1)NCC1(C#N)CC1 ZINC000597121139 1040656833 /nfs/dbraw/zinc/65/68/33/1040656833.db2.gz MZEQUMIYCLSPQP-AWEZNQCLSA-N 0 3 307.235 3.664 20 30 DHEDHN C[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC2(CCCC2)O1 ZINC000597156223 1040669622 /nfs/dbraw/zinc/66/96/22/1040669622.db2.gz LNSFPEBIPYJUFG-INIZCTEOSA-N 0 3 310.441 3.775 20 30 DHEDHN COCc1csc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000597157122 1040671029 /nfs/dbraw/zinc/67/10/29/1040671029.db2.gz FBGUTOKODUWRJO-ZDUSSCGKSA-N 0 3 300.427 3.959 20 30 DHEDHN Cc1ccc(CN2CCC[C@H](CC#N)C2)c(-c2ccnn2C)c1 ZINC000597175442 1040675574 /nfs/dbraw/zinc/67/55/74/1040675574.db2.gz AZAYJHSUMFPWGI-MRXNPFEDSA-N 0 3 308.429 3.521 20 30 DHEDHN Cc1cc(CN[C@@H](CCO)c2ccc(Cl)cc2)ccc1C#N ZINC000347422402 1040714953 /nfs/dbraw/zinc/71/49/53/1040714953.db2.gz FVOBTRGMEZOMSO-SFHVURJKSA-N 0 3 314.816 3.733 20 30 DHEDHN N#Cc1c(F)cccc1CN[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000602017845 1040865365 /nfs/dbraw/zinc/86/53/65/1040865365.db2.gz SDBJBFPQVPYZCD-QFBILLFUSA-N 0 3 310.372 3.707 20 30 DHEDHN N#C[C@@H](c1ccccc1)[C@H]1CCCN1CC1CCSCC1 ZINC000602485088 1041053641 /nfs/dbraw/zinc/05/36/41/1041053641.db2.gz PRSUFANFEJXOQD-ZWKOTPCHSA-N 0 3 300.471 3.901 20 30 DHEDHN COc1ccc(Cl)cc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602527356 1041089133 /nfs/dbraw/zinc/08/91/33/1041089133.db2.gz KVIWNLKDZMMMLJ-CYBMUJFWSA-N 0 3 322.836 3.537 20 30 DHEDHN CC(C)(NC(=O)[C@@H](N)CCCCC#N)c1ccc2ccccc2c1 ZINC000602572449 1041102677 /nfs/dbraw/zinc/10/26/77/1041102677.db2.gz ZRSPLCQJPHFMKP-SFHVURJKSA-N 0 3 323.440 3.602 20 30 DHEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000602679196 1041162427 /nfs/dbraw/zinc/16/24/27/1041162427.db2.gz PLHKANYYRUUVND-BFYDXBDKSA-N 0 3 314.429 3.587 20 30 DHEDHN Cc1cc(CN2CC[C@H](O)C[C@H]2c2ccccc2)ccc1C#N ZINC000602732233 1041185021 /nfs/dbraw/zinc/18/50/21/1041185021.db2.gz QXIDRZLUFXBNQM-PMACEKPBSA-N 0 3 306.409 3.565 20 30 DHEDHN N#Cc1ccc(C2(NCc3cccc4c3CCOC4)CCC2)cc1 ZINC000602872963 1041283648 /nfs/dbraw/zinc/28/36/48/1041283648.db2.gz FGBRLGUBVZCAGK-UHFFFAOYSA-N 0 3 318.420 3.800 20 30 DHEDHN Cc1ccc(Br)cc1CNCc1ccc(C#N)cc1 ZINC000190295346 334927610 /nfs/dbraw/zinc/92/76/10/334927610.db2.gz LADCYKLJTKRLRL-UHFFFAOYSA-N 0 3 315.214 3.919 20 30 DHEDHN C=CCC1(C(=O)N(CC)Cc2ccc(CN(C)C)cc2)CCC1 ZINC000191115582 334971431 /nfs/dbraw/zinc/97/14/31/334971431.db2.gz BXVOEMXSVZGNIV-UHFFFAOYSA-N 0 3 314.473 3.843 20 30 DHEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1ccccc1C ZINC000285120747 335023616 /nfs/dbraw/zinc/02/36/16/335023616.db2.gz NDEHFRLHCPNMHA-MJGOQNOKSA-N 0 3 320.436 3.546 20 30 DHEDHN C=CCN(CCCOCC(F)(F)F)Cc1cccc(C#N)c1 ZINC000063388166 335049613 /nfs/dbraw/zinc/04/96/13/335049613.db2.gz ZQCWBJLWLRRLPS-UHFFFAOYSA-N 0 3 312.335 3.515 20 30 DHEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000289650217 335062356 /nfs/dbraw/zinc/06/23/56/335062356.db2.gz GGFGFOKWZKGABV-JQWIXIFHSA-N 0 3 305.365 3.539 20 30 DHEDHN CCc1cccnc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000272240471 130011629 /nfs/dbraw/zinc/01/16/29/130011629.db2.gz JKSZTJPFXPDEBR-UHFFFAOYSA-N 0 3 320.440 3.592 20 30 DHEDHN C[C@@H](NCC[C@](C)(O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000275125698 130293895 /nfs/dbraw/zinc/29/38/95/130293895.db2.gz MIJKQSOSODROOV-KUHUBIRLSA-N 0 3 312.388 3.646 20 30 DHEDHN COc1ccc([C@H](CN(C)C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000284363322 131074238 /nfs/dbraw/zinc/07/42/38/131074238.db2.gz NFFQAUSENFKIET-QRWLVFNGSA-N 0 3 323.440 3.520 20 30 DHEDHN CC[C@@H](NCc1ccnc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000284438742 131080881 /nfs/dbraw/zinc/08/08/81/131080881.db2.gz SOFHIBSMDWWTBQ-OAHLLOKOSA-N 0 3 317.339 3.796 20 30 DHEDHN COc1ccc([C@@H](CN(C)C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000284454513 131082186 /nfs/dbraw/zinc/08/21/86/131082186.db2.gz UPSOBKNLBVXQKX-FOIQADDNSA-N 0 3 323.440 3.520 20 30 DHEDHN CCN(CC)[C@@H](CNc1cc(C#N)ccn1)c1ccsc1 ZINC000286270954 131227370 /nfs/dbraw/zinc/22/73/70/131227370.db2.gz WMMYSUQDAWAOLY-HNNXBMFYSA-N 0 3 300.431 3.510 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)s2)c(C)c1OC ZINC000288369765 131322247 /nfs/dbraw/zinc/32/22/47/131322247.db2.gz DXXOAXCNVZTHCS-LBPRGKRZSA-N 0 3 316.426 3.796 20 30 DHEDHN CC[C@@H](COCC(F)(F)F)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000297376905 132012910 /nfs/dbraw/zinc/01/29/10/132012910.db2.gz QUBKQRCFJVILJJ-GWCFXTLKSA-N 0 3 318.314 3.705 20 30 DHEDHN Cc1nc(N[C@@H](CN2CCCC2)c2ccccc2)ccc1C#N ZINC000487927532 429175432 /nfs/dbraw/zinc/17/54/32/429175432.db2.gz SZODZJIHRUWELN-SFHVURJKSA-N 0 3 306.413 3.511 20 30 DHEDHN N#Cc1ccc(N[C@H](CN2CCCCC2)c2ccccc2)nc1 ZINC000610279291 435354532 /nfs/dbraw/zinc/35/45/32/435354532.db2.gz VEOMBCIGBSMAOF-GOSISDBHSA-N 0 3 306.413 3.592 20 30 DHEDHN C=CCN1CCC(Nc2ccc3ccc(Cl)cc3n2)CC1 ZINC000480046968 435362500 /nfs/dbraw/zinc/36/25/00/435362500.db2.gz XPXBJLOAJRZSLP-UHFFFAOYSA-N 0 3 301.821 3.951 20 30 DHEDHN CC[C@H](C)N[C@@H](CNc1ccc(Cl)c(C#N)n1)c1ccco1 ZINC000517981688 435621541 /nfs/dbraw/zinc/62/15/41/435621541.db2.gz INIRQKPKVPZBQS-FZMZJTMJSA-N 0 3 318.808 3.741 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000186978745 331500710 /nfs/dbraw/zinc/50/07/10/331500710.db2.gz FCSJYJVOHMTFBX-UHFFFAOYSA-N 0 3 323.387 3.570 20 30 DHEDHN C=CCOc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000323074906 331677021 /nfs/dbraw/zinc/67/70/21/331677021.db2.gz RDZAEPLPMBWXGP-UHFFFAOYSA-N 0 3 312.369 3.758 20 30 DHEDHN CC1(C)CCC[C@@H]1NCc1ccc(Br)cc1C#N ZINC000311233732 331835702 /nfs/dbraw/zinc/83/57/02/331835702.db2.gz YAXQNMGDWJBLPJ-AWEZNQCLSA-N 0 3 307.235 3.989 20 30 DHEDHN Cc1ccc(C)c(OC2CCN(CCCSCC#N)CC2)c1 ZINC000074989086 331946509 /nfs/dbraw/zinc/94/65/09/331946509.db2.gz JPZCQEVRVZYHSC-UHFFFAOYSA-N 0 3 318.486 3.794 20 30 DHEDHN C=CCOCCN1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000559049124 331968336 /nfs/dbraw/zinc/96/83/36/331968336.db2.gz BWAFYKREXVTTHW-UHFFFAOYSA-N 0 3 303.446 3.856 20 30 DHEDHN C[C@@H](CN1CCCCC1)Nc1ccc(Br)cc1C#N ZINC000130428093 332024326 /nfs/dbraw/zinc/02/43/26/332024326.db2.gz NNZONSSBIYXNFI-LBPRGKRZSA-N 0 3 322.250 3.607 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C3CCC3)c2)CC1 ZINC000409649828 332043774 /nfs/dbraw/zinc/04/37/74/332043774.db2.gz AHYKNOKAGPACRM-UHFFFAOYSA-N 0 3 312.457 3.724 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](NCCOc1ccc(Cl)cc1)CC2 ZINC000569413402 332077321 /nfs/dbraw/zinc/07/73/21/332077321.db2.gz DOGBMTBBXDAQJY-GOSISDBHSA-N 0 3 312.800 3.868 20 30 DHEDHN C=CC[C@H](CC)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000410138461 332093179 /nfs/dbraw/zinc/09/31/79/332093179.db2.gz RKOZYXSWTWZADP-WMZOPIPTSA-N 0 3 318.436 3.509 20 30 DHEDHN C=CCN1CC[C@@H](N(CCC)[C@H](CC)c2ccccc2)C1=O ZINC000410337358 332114016 /nfs/dbraw/zinc/11/40/16/332114016.db2.gz AMVVVWTWVPTIDE-QZTJIDSGSA-N 0 3 300.446 3.637 20 30 DHEDHN COCCN(CCCc1ccccc1)Cc1cc(C#N)cs1 ZINC000092541837 332133066 /nfs/dbraw/zinc/13/30/66/332133066.db2.gz PWIQHXVNEVUQBS-UHFFFAOYSA-N 0 3 314.454 3.701 20 30 DHEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CN1C1CC1 ZINC000317815574 332200415 /nfs/dbraw/zinc/20/04/15/332200415.db2.gz YGIZZFJPZVTPJJ-CMPLNLGQSA-N 0 3 309.335 3.614 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NC/C=C/c2ccc(Br)cc2)C1 ZINC000449450374 332203626 /nfs/dbraw/zinc/20/36/26/332203626.db2.gz BGXYCLMYHURMDA-FDQNRYPESA-N 0 3 305.219 3.744 20 30 DHEDHN CO[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000363684221 332220617 /nfs/dbraw/zinc/22/06/17/332220617.db2.gz GDWXNCQHNAINHU-MRXNPFEDSA-N 0 3 311.347 3.558 20 30 DHEDHN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCCCC#N ZINC000102397937 332225476 /nfs/dbraw/zinc/22/54/76/332225476.db2.gz QIVXFMCOAKTISI-UHFFFAOYSA-N 0 3 310.445 3.923 20 30 DHEDHN CCc1ccc(CNCc2ccc(N(C)CCC#N)cc2)s1 ZINC000109068339 332276524 /nfs/dbraw/zinc/27/65/24/332276524.db2.gz WVCCKLSPMFZOJS-UHFFFAOYSA-N 0 3 313.470 3.950 20 30 DHEDHN C=CCCCCCN(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000153292404 332359589 /nfs/dbraw/zinc/35/95/89/332359589.db2.gz JMCOEJKFMIXMQG-UHFFFAOYSA-N 0 3 303.450 3.958 20 30 DHEDHN Cc1cnn(C2CCN(Cc3ccccc3C(C)(C)C#N)CC2)c1 ZINC000363538578 332644392 /nfs/dbraw/zinc/64/43/92/332644392.db2.gz WGOPIVNEZUNVBC-UHFFFAOYSA-N 0 3 322.456 3.830 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 ZINC000159826361 332711850 /nfs/dbraw/zinc/71/18/50/332711850.db2.gz QDLBHQUZDRZMTI-LSDHHAIUSA-N 0 3 317.396 3.551 20 30 DHEDHN C=CCC[C@@H](NCc1ccc2c(c1)NC(=O)CO2)c1ccccc1 ZINC000293671545 335114878 /nfs/dbraw/zinc/11/48/78/335114878.db2.gz QOQUYTUDNAMQDL-QGZVFWFLSA-N 0 3 322.408 3.815 20 30 DHEDHN Cc1c(C#N)cccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000178768685 333019593 /nfs/dbraw/zinc/01/95/93/333019593.db2.gz YNSCVURSWABCDN-UHFFFAOYSA-N 0 3 319.408 3.715 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424994171 335116509 /nfs/dbraw/zinc/11/65/09/335116509.db2.gz HVLUQWKSGIQJAL-ILZDJORESA-N 0 3 322.383 3.512 20 30 DHEDHN C=CCCCCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294018034 335116694 /nfs/dbraw/zinc/11/66/94/335116694.db2.gz DRJNOPRKFIWLMA-INIZCTEOSA-N 0 3 302.397 3.759 20 30 DHEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCCC(C)(C)C#N ZINC000175399242 333098513 /nfs/dbraw/zinc/09/85/13/333098513.db2.gz BHOKVFRZTPOMBE-SZNDQCEHSA-N 0 3 306.475 3.747 20 30 DHEDHN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(OCC#N)cc1 ZINC000180555958 333163110 /nfs/dbraw/zinc/16/31/10/333163110.db2.gz BUVRNISLSXPSBQ-LJQANCHMSA-N 0 3 322.408 3.901 20 30 DHEDHN COc1cc(C)cc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182058749 333175343 /nfs/dbraw/zinc/17/53/43/333175343.db2.gz SKQAWZKUDVSQJX-HNNXBMFYSA-N 0 3 310.397 3.757 20 30 DHEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000185768892 333213720 /nfs/dbraw/zinc/21/37/20/333213720.db2.gz KUMOHNRLMWXEAI-QWQRMKEZSA-N 0 3 311.429 3.768 20 30 DHEDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185762312 333213919 /nfs/dbraw/zinc/21/39/19/333213919.db2.gz XBQBEKPAAJVLOR-RBUKOAKNSA-N 0 3 322.456 3.720 20 30 DHEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(N2CCCC2=O)c1 ZINC000185798728 333214299 /nfs/dbraw/zinc/21/42/99/333214299.db2.gz SWVUGPIVGGTSHR-HLLBOEOZSA-N 0 3 311.429 3.546 20 30 DHEDHN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1Br ZINC000185807922 333214608 /nfs/dbraw/zinc/21/46/08/333214608.db2.gz MYCDQPIVPUNFDQ-AAEUAGOBSA-N 0 3 323.234 3.630 20 30 DHEDHN Cc1cc(C)n(-c2ccccc2CN[C@@H]2CCC[C@H](C#N)C2)n1 ZINC000185856054 333214908 /nfs/dbraw/zinc/21/49/08/333214908.db2.gz RAYTWHYFDCCSPG-FUHWJXTLSA-N 0 3 308.429 3.661 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185886754 333215511 /nfs/dbraw/zinc/21/55/11/333215511.db2.gz DIXSEWGYWFIPEB-HOCLYGCPSA-N 0 3 306.331 3.729 20 30 DHEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1cc(C)ccn1)C(C)C ZINC000517046498 333215953 /nfs/dbraw/zinc/21/59/53/333215953.db2.gz ZRLSXTGKDAFFQP-PKOBYXMFSA-N 0 3 301.478 3.739 20 30 DHEDHN C=C(C)CN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000497202125 333220595 /nfs/dbraw/zinc/22/05/95/333220595.db2.gz YKUWQFWIJPDIHO-UHFFFAOYSA-N 0 3 316.357 3.871 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](c1ccccc1)C(C)C ZINC000497424311 333249730 /nfs/dbraw/zinc/24/97/30/333249730.db2.gz BROBJSVYEXVJLZ-IBGZPJMESA-N 0 3 302.462 3.740 20 30 DHEDHN COc1cc(F)c([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000192864145 333294344 /nfs/dbraw/zinc/29/43/44/333294344.db2.gz QRRGQNLFTVOVOF-AGIUHOORSA-N 0 3 306.381 3.576 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000185436237 335133502 /nfs/dbraw/zinc/13/35/02/335133502.db2.gz UULSMGAOJIUVBX-MRXNPFEDSA-N 0 3 302.462 3.699 20 30 DHEDHN C[C@@H](NCCOc1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000540707776 333340223 /nfs/dbraw/zinc/34/02/23/333340223.db2.gz NKDXIZPRPXFYCQ-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN C=CCC1(C(=O)NC2CCN(Cc3cccs3)CC2)CCC1 ZINC000365062771 333354562 /nfs/dbraw/zinc/35/45/62/333354562.db2.gz BQHRGCSLZGTZQA-UHFFFAOYSA-N 0 3 318.486 3.575 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000188448594 333367170 /nfs/dbraw/zinc/36/71/70/333367170.db2.gz LINANXOFZYVTBS-UWWQBHOKSA-N 0 3 320.502 3.850 20 30 DHEDHN CC(C)c1nc(C2CCN(CCCC(C)(C)C#N)CC2)no1 ZINC000365725742 333450829 /nfs/dbraw/zinc/45/08/29/333450829.db2.gz UQQCUMVEVOSYOQ-UHFFFAOYSA-N 0 3 304.438 3.702 20 30 DHEDHN Cc1c2ccccc2oc1[C@@H](NCCOCCC#N)C(C)C ZINC000339067385 333507862 /nfs/dbraw/zinc/50/78/62/333507862.db2.gz MCXOKCWKSWZITH-KRWDZBQOSA-N 0 3 300.402 3.958 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)cc(Br)c1 ZINC000411798926 333706922 /nfs/dbraw/zinc/70/69/22/333706922.db2.gz XVCKHHONCQEVJC-OLZOCXBDSA-N 0 3 316.626 3.536 20 30 DHEDHN COc1ccc(C[C@H](C)N[C@H](CCC#N)c2ccccc2)cn1 ZINC000414104201 333896920 /nfs/dbraw/zinc/89/69/20/333896920.db2.gz OEZBVAPCSHEWGJ-MAUKXSAKSA-N 0 3 309.413 3.656 20 30 DHEDHN C[C@@H](N[C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(C#N)c1 ZINC000414349694 333946114 /nfs/dbraw/zinc/94/61/14/333946114.db2.gz PRZLSVSMJJJLED-KDOFPFPSSA-N 0 3 309.388 3.627 20 30 DHEDHN C[C@H](N[C@H]1CCc2c1cccc2O)c1ccc(OCC#N)cc1 ZINC000271900541 334028580 /nfs/dbraw/zinc/02/85/80/334028580.db2.gz VMIRZHLDRXDMFU-UGSOOPFHSA-N 0 3 308.381 3.633 20 30 DHEDHN CC(C)(C#N)CCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000272072515 334030415 /nfs/dbraw/zinc/03/04/15/334030415.db2.gz ZNMNDTJMKKIODT-UHFFFAOYSA-N 0 3 323.444 3.591 20 30 DHEDHN COc1ccc(C[C@H](C)CN2CCC(C)(C#N)CC2)cc1F ZINC000274436391 334061261 /nfs/dbraw/zinc/06/12/61/334061261.db2.gz PDXBWFAPDDKITF-AWEZNQCLSA-N 0 3 304.409 3.639 20 30 DHEDHN C[C@@H](NCCCSCC#N)c1nc2ccccc2n1C(F)F ZINC000275497158 334071340 /nfs/dbraw/zinc/07/13/40/334071340.db2.gz UKRYTZRFZPPKQB-LLVKDONJSA-N 0 3 324.400 3.729 20 30 DHEDHN N#CCCCNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278288040 334094620 /nfs/dbraw/zinc/09/46/20/334094620.db2.gz KUJMRTZLGMMBRQ-UHFFFAOYSA-N 0 3 312.335 3.604 20 30 DHEDHN CCn1nccc1C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000278891349 334103256 /nfs/dbraw/zinc/10/32/56/334103256.db2.gz OEVVLUNZLKBIFF-OAHLLOKOSA-N 0 3 308.429 3.715 20 30 DHEDHN CCCC[C@H](CC)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279144868 334106015 /nfs/dbraw/zinc/10/60/15/334106015.db2.gz AAVYGXXUMUVBAF-MAUKXSAKSA-N 0 3 311.429 3.573 20 30 DHEDHN CCCC[C@@H](CC)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279144867 334106066 /nfs/dbraw/zinc/10/60/66/334106066.db2.gz AAVYGXXUMUVBAF-CRAIPNDOSA-N 0 3 311.429 3.573 20 30 DHEDHN Cc1ccnc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1C#N ZINC000343512812 335173105 /nfs/dbraw/zinc/17/31/05/335173105.db2.gz OLULSAKCGUKDCJ-NVXWUHKLSA-N 0 3 306.413 3.509 20 30 DHEDHN CCC1CCC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279252307 334107031 /nfs/dbraw/zinc/10/70/31/334107031.db2.gz HFDWSKSYCOYKQR-XUJQIHCRSA-N 0 3 323.440 3.573 20 30 DHEDHN CC1(C)CCC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280107269 334114254 /nfs/dbraw/zinc/11/42/54/334114254.db2.gz PHXJFYBEJVNXKR-GOSISDBHSA-N 0 3 323.440 3.573 20 30 DHEDHN CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(C)cc1[O-] ZINC000280241406 334115681 /nfs/dbraw/zinc/11/56/81/334115681.db2.gz WAOPFNAGQOJGMD-GOSISDBHSA-N 0 3 310.397 3.844 20 30 DHEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCCC2CCCC2)cc1 ZINC000280513826 334117965 /nfs/dbraw/zinc/11/79/65/334117965.db2.gz RMEGQQMBRRBKFH-IBGZPJMESA-N 0 3 323.440 3.717 20 30 DHEDHN C=CCOc1ccc(CN[C@H](c2cccnc2)C2CC2)cc1OC ZINC000340103904 334127427 /nfs/dbraw/zinc/12/74/27/334127427.db2.gz GFTFLLDNPAWHBR-FQEVSTJZSA-N 0 3 324.424 3.896 20 30 DHEDHN C=CCc1cc(CN[C@@H](c2cccnc2)C2CC2)cc(OC)c1O ZINC000340107878 334127614 /nfs/dbraw/zinc/12/76/14/334127614.db2.gz ZUPNEVCBRAUCFM-LJQANCHMSA-N 0 3 324.424 3.765 20 30 DHEDHN N#C[C@H]1CC[C@@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC000290528383 334173338 /nfs/dbraw/zinc/17/33/38/334173338.db2.gz ZHHWVODZYPHETA-JOCLIGHLSA-N 0 3 306.409 3.743 20 30 DHEDHN N#CC[C@@H]1CC[C@H](NCc2c(F)cccc2N2CCCC2)C1 ZINC000295085055 334218155 /nfs/dbraw/zinc/21/81/55/334218155.db2.gz QWTNXYWNSOEWAO-GJZGRUSLSA-N 0 3 301.409 3.598 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@](C)(COC)C2)ccc1OC ZINC000295186366 334220309 /nfs/dbraw/zinc/22/03/09/334220309.db2.gz WRCJAWJEFOSHRA-IBGZPJMESA-N 0 3 319.445 3.509 20 30 DHEDHN C=C(C)[C@@H](NC[C@@H](O)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000187784875 334274742 /nfs/dbraw/zinc/27/47/42/334274742.db2.gz BCONYYLCXRSQPA-QFBILLFUSA-N 0 3 317.379 3.775 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298189790 334247078 /nfs/dbraw/zinc/24/70/78/334247078.db2.gz BDHXVWDFEWQQLB-DOTOQJQBSA-N 0 3 304.384 3.965 20 30 DHEDHN C=CCN1CC[C@@H](N(C)[C@@H](C)c2cccc3ccccc32)C1=O ZINC000531949941 334303836 /nfs/dbraw/zinc/30/38/36/334303836.db2.gz VVTCTXAHLBWEMW-HNAYVOBHSA-N 0 3 308.425 3.620 20 30 DHEDHN CC1CCN(CCNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000111217781 334307252 /nfs/dbraw/zinc/30/72/52/334307252.db2.gz ZFOMZNGMFIEZJQ-UHFFFAOYSA-N 0 3 311.351 3.721 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000121108173 334340897 /nfs/dbraw/zinc/34/08/97/334340897.db2.gz NOVXLROJSARBRK-INIZCTEOSA-N 0 3 315.461 3.512 20 30 DHEDHN CC[C@H](C)[C@@H](C)N(Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000535206711 334380084 /nfs/dbraw/zinc/38/00/84/334380084.db2.gz OVDQTMYSBKMTDJ-UONOGXRCSA-N 0 3 314.429 3.744 20 30 DHEDHN COc1ccccc1[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000340868379 334391747 /nfs/dbraw/zinc/39/17/47/334391747.db2.gz AUPMBZSEEVXBHD-OAHLLOKOSA-N 0 3 310.372 3.695 20 30 DHEDHN CC[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000341220835 334419215 /nfs/dbraw/zinc/41/92/15/334419215.db2.gz SPNZZVZTHNMGQU-RDTXWAMCSA-N 0 3 307.397 3.626 20 30 DHEDHN CCN(CC)[C@@H](CNc1snc(C)c1C#N)c1ccsc1 ZINC000341528431 334454425 /nfs/dbraw/zinc/45/44/25/334454425.db2.gz RRGWFUKCQOONPR-AWEZNQCLSA-N 0 3 320.487 3.880 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cccc([N+](=O)[O-])c1 ZINC000341695672 334471213 /nfs/dbraw/zinc/47/12/13/334471213.db2.gz BXFFVEJBZNVFDR-SFHVURJKSA-N 0 3 307.353 3.634 20 30 DHEDHN C=CCC1(NC(=O)Nc2ccccc2CNC)CCCCC1 ZINC000415903788 334626738 /nfs/dbraw/zinc/62/67/38/334626738.db2.gz QPFGUVGRYKENQN-UHFFFAOYSA-N 0 3 301.434 3.807 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(COC)cc2)cc1 ZINC000124403058 334755359 /nfs/dbraw/zinc/75/53/59/334755359.db2.gz BJUGWMICXMRYFI-MRXNPFEDSA-N 0 3 309.409 3.696 20 30 DHEDHN COC(=O)c1ccccc1-c1ccc(CN[C@@H]2CC[C@H](C#N)C2)o1 ZINC000425354065 334836315 /nfs/dbraw/zinc/83/63/15/334836315.db2.gz MEFQKHYTRBCRFJ-UONOGXRCSA-N 0 3 324.380 3.515 20 30 DHEDHN CC[C@H](C)N[C@H](CNc1c(C#N)cccc1C#N)c1ccco1 ZINC000343272997 334896918 /nfs/dbraw/zinc/89/69/18/334896918.db2.gz QMNRVBFDPNSHBT-XJKSGUPXSA-N 0 3 308.385 3.564 20 30 DHEDHN CN(CCCOCc1ccccc1)Cc1cc(C#N)cs1 ZINC000343658756 335185801 /nfs/dbraw/zinc/18/58/01/335185801.db2.gz NIPKGHGYVQHGLO-UHFFFAOYSA-N 0 3 300.427 3.658 20 30 DHEDHN CC[C@H](N[C@@H]1COc2ccc(F)cc2C1)c1ccc(C#N)cc1 ZINC000343924289 335202471 /nfs/dbraw/zinc/20/24/71/335202471.db2.gz HLJSRRJHRKVREW-ROUUACIJSA-N 0 3 310.372 3.742 20 30 DHEDHN C[C@H](NCc1cccc(-n2ccnc2)c1)c1cccc(C#N)c1 ZINC000344105846 335223647 /nfs/dbraw/zinc/22/36/47/335223647.db2.gz QKWDNZJZGRXZDH-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)C12CCCC2 ZINC000344277083 335235568 /nfs/dbraw/zinc/23/55/68/335235568.db2.gz CCNKEQCJDRYPDA-DLBZAZTESA-N 0 3 302.393 3.525 20 30 DHEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C12CCCC2 ZINC000344277092 335235671 /nfs/dbraw/zinc/23/56/71/335235671.db2.gz CCNKEQCJDRYPDA-SJORKVTESA-N 0 3 302.393 3.525 20 30 DHEDHN CCCCCOc1ccc([C@H](C)NC(=O)C(C)C#N)cc1OC ZINC000345853718 335355711 /nfs/dbraw/zinc/35/57/11/335355711.db2.gz VIGDNMZNYXEKCI-KGLIPLIRSA-N 0 3 318.417 3.601 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000346019175 335365931 /nfs/dbraw/zinc/36/59/31/335365931.db2.gz VBDPUFRPOBRBME-HUUCEWRRSA-N 0 3 321.490 3.539 20 30 DHEDHN CCC[C@H](NCCCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000444675722 338481192 /nfs/dbraw/zinc/48/11/92/338481192.db2.gz OJUXCGDKKLRZDK-HNNXBMFYSA-N 0 3 313.449 3.880 20 30 DHEDHN CCO[C@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)C12CCCC2 ZINC000347705912 335522825 /nfs/dbraw/zinc/52/28/25/335522825.db2.gz NHULSSDJGKVANJ-SJORKVTESA-N 0 3 302.393 3.525 20 30 DHEDHN N#CCC1(CN[C@H]2CCc3c2cccc3Br)CC1 ZINC000348353660 335579971 /nfs/dbraw/zinc/57/99/71/335579971.db2.gz HWCDIONMOKVSCT-AWEZNQCLSA-N 0 3 305.219 3.720 20 30 DHEDHN C=C(C)C(C)(C)c1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000583559186 335727601 /nfs/dbraw/zinc/72/76/01/335727601.db2.gz JSKISYLFWAUYOV-UHFFFAOYSA-N 0 3 315.417 3.531 20 30 DHEDHN CC(C)OC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000535796772 335776659 /nfs/dbraw/zinc/77/66/59/335776659.db2.gz LAGZTYTYUCBDLV-UHFFFAOYSA-N 0 3 316.445 3.759 20 30 DHEDHN C[C@H](CNC(=O)c1coc(C2CCCC2)n1)N1CCC[C@@H](C)C1 ZINC000329956953 336099599 /nfs/dbraw/zinc/09/95/99/336099599.db2.gz LOOOJVBVTHXKMV-ZIAGYGMSSA-N 0 3 319.449 3.757 20 30 DHEDHN Cc1[nH]nc(-c2ccccc2)c1NC(=O)C1CCN(C2CC2)CC1 ZINC000330171443 336120619 /nfs/dbraw/zinc/12/06/19/336120619.db2.gz FKOYFTCAYMOYHP-UHFFFAOYSA-N 0 3 324.428 3.848 20 30 DHEDHN CC(C)(C)c1ccccc1NC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000330257130 336130546 /nfs/dbraw/zinc/13/05/46/336130546.db2.gz LFEOEELVUGTSMW-FUHWJXTLSA-N 0 3 316.445 3.729 20 30 DHEDHN COc1cc(C#N)ccc1CN[C@H](CC(F)(F)F)C(C)C ZINC000445902251 338514949 /nfs/dbraw/zinc/51/49/49/338514949.db2.gz CYHIGYTWNBORBE-CYBMUJFWSA-N 0 3 300.324 3.633 20 30 DHEDHN C[C@@H]1CCCC[C@@H]1N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332622444 336176780 /nfs/dbraw/zinc/17/67/80/336176780.db2.gz COXKZNUZJIMOLJ-CJNGLKHVSA-N 0 3 310.401 3.619 20 30 DHEDHN C[C@@H]1CC[C@H](NCc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000332713863 336179937 /nfs/dbraw/zinc/17/99/37/336179937.db2.gz YVLBGTQTWCILPI-IOASZLSFSA-N 0 3 310.401 3.523 20 30 DHEDHN CC(C#N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000352138330 336196301 /nfs/dbraw/zinc/19/63/01/336196301.db2.gz XZZMTGUYGYVDMT-QKCSRTOESA-N 0 3 310.319 3.617 20 30 DHEDHN C[C@H](N(C)CC(=O)Nc1ccccc1SCC#N)C(C)(C)C ZINC000532489698 336250284 /nfs/dbraw/zinc/25/02/84/336250284.db2.gz PEBPUSFOAQEHDK-ZDUSSCGKSA-N 0 3 319.474 3.607 20 30 DHEDHN C[C@H](CNCc1ccc(C#N)cc1F)Sc1ccccc1 ZINC000532568229 336255882 /nfs/dbraw/zinc/25/58/82/336255882.db2.gz KAOURSNAWDFBRJ-CYBMUJFWSA-N 0 3 300.402 3.968 20 30 DHEDHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000192755589 336260553 /nfs/dbraw/zinc/26/05/53/336260553.db2.gz YDPPVAQZSCQTJK-ZIAGYGMSSA-N 0 3 310.397 3.987 20 30 DHEDHN CC1CCN([C@H](CNc2ccc(C#N)cn2)c2ccccc2)CC1 ZINC000301097536 336289936 /nfs/dbraw/zinc/28/99/36/336289936.db2.gz PXUXVGTXZUBQBM-LJQANCHMSA-N 0 3 320.440 3.838 20 30 DHEDHN CN(C)[C@@H](CNc1c(F)cc(C#N)cc1F)c1ccc(F)cc1 ZINC000301131812 336291639 /nfs/dbraw/zinc/29/16/39/336291639.db2.gz ZNALDDXFAQMFML-INIZCTEOSA-N 0 3 319.330 3.690 20 30 DHEDHN C[C@@H](CNc1ccc(C#N)cc1F)N1CCc2ccccc2C1 ZINC000301163522 336292708 /nfs/dbraw/zinc/29/27/08/336292708.db2.gz UUEQRFSEVZPEEH-AWEZNQCLSA-N 0 3 309.388 3.556 20 30 DHEDHN CCN(CC)[C@H](CNc1cccc(F)c1C#N)c1ccco1 ZINC000301176338 336293467 /nfs/dbraw/zinc/29/34/67/336293467.db2.gz ZBEVQFBDFGJGFB-MRXNPFEDSA-N 0 3 301.365 3.785 20 30 DHEDHN C=C(C)CN1CCC(Nc2ncnc3c4ccccc4oc32)CC1 ZINC000301181536 336293726 /nfs/dbraw/zinc/29/37/26/336293726.db2.gz PAFVFOHMZAXBJG-UHFFFAOYSA-N 0 3 322.412 3.828 20 30 DHEDHN N#Cc1cnc2ccc(Cl)cc2c1NCCN1CCCCC1 ZINC000301382771 336303667 /nfs/dbraw/zinc/30/36/67/336303667.db2.gz VINYCIGWNBZTEE-UHFFFAOYSA-N 0 3 314.820 3.658 20 30 DHEDHN CC(C)OCCN1CCC(Nc2c(Cl)cccc2C#N)CC1 ZINC000301459193 336308057 /nfs/dbraw/zinc/30/80/57/336308057.db2.gz DBGZSJZYHXFDJS-UHFFFAOYSA-N 0 3 321.852 3.513 20 30 DHEDHN N#Cc1cccc(CN(C[C@@H]2CCCO2)C2CCCC2)c1F ZINC000352885736 336330825 /nfs/dbraw/zinc/33/08/25/336330825.db2.gz DCKSVLVAIIHAMG-KRWDZBQOSA-N 0 3 302.393 3.621 20 30 DHEDHN CC(=O)c1ccc(C#N)cc1NC1CCN(C2CCCC2)CC1 ZINC000302130143 336349938 /nfs/dbraw/zinc/34/99/38/336349938.db2.gz XUNDQXNZCUXWPM-UHFFFAOYSA-N 0 3 311.429 3.580 20 30 DHEDHN CC[C@@H](CC#N)N[C@H]1CCc2cccc(Br)c2C1 ZINC000352916001 336376840 /nfs/dbraw/zinc/37/68/40/336376840.db2.gz QXQCOYZQMQLZND-STQMWFEESA-N 0 3 307.235 3.588 20 30 DHEDHN CO[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)CC(C)C ZINC000418091515 336399118 /nfs/dbraw/zinc/39/91/18/336399118.db2.gz GOLSGXIKFWQPMO-CQSZACIVSA-N 0 3 314.351 3.728 20 30 DHEDHN C=C[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000358319210 336623851 /nfs/dbraw/zinc/62/38/51/336623851.db2.gz NUPDYHAVMYGPTB-KBPBESRZSA-N 0 3 307.459 3.628 20 30 DHEDHN CC[C@@H](C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)N(CC)CC ZINC000359292438 336666065 /nfs/dbraw/zinc/66/60/65/336666065.db2.gz OQDRBISAFMRSDF-YJBOKZPZSA-N 0 3 315.461 3.588 20 30 DHEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000359465251 336674076 /nfs/dbraw/zinc/67/40/76/336674076.db2.gz IJSKNEUYABYFPW-UMVBOHGHSA-N 0 3 319.399 3.678 20 30 DHEDHN C=CCCC1(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000359534743 336676450 /nfs/dbraw/zinc/67/64/50/336676450.db2.gz BXQPMUJGPBDEFW-LSDHHAIUSA-N 0 3 304.434 3.571 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](CO)c1ccccc1 ZINC000360645277 336717131 /nfs/dbraw/zinc/71/71/31/336717131.db2.gz CTNMSZBZKBFAQT-PMACEKPBSA-N 0 3 306.409 3.649 20 30 DHEDHN CC(C)c1csc(CN[C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)n1 ZINC000362038247 336783027 /nfs/dbraw/zinc/78/30/27/336783027.db2.gz KMWKAEZOAUNRBU-CTASWTNQSA-N 0 3 319.474 3.596 20 30 DHEDHN Cc1cncc([C@H](C)N[C@H]2CCCN(c3ccccc3C#N)C2)c1 ZINC000375115549 337003641 /nfs/dbraw/zinc/00/36/41/337003641.db2.gz RAOOWXNAYSKHGO-LPHOPBHVSA-N 0 3 320.440 3.581 20 30 DHEDHN Cc1csc(NC2CCN(CC(C)(C)CCC#N)CC2)n1 ZINC000375218416 337005962 /nfs/dbraw/zinc/00/59/62/337005962.db2.gz QNMAFXVWDBDWAT-UHFFFAOYSA-N 0 3 306.479 3.658 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN[C@@H](CCO)c1ccccc1 ZINC000305778219 337036432 /nfs/dbraw/zinc/03/64/32/337036432.db2.gz QLISLHCIUAPXIW-IBGZPJMESA-N 0 3 308.425 3.701 20 30 DHEDHN N#Cc1cc(CN2CCC[C@@](O)(c3ccccc3)CC2)ccc1F ZINC000377557216 337055248 /nfs/dbraw/zinc/05/52/48/337055248.db2.gz STFYKOVQDQLPOZ-FQEVSTJZSA-N 0 3 324.399 3.571 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3Cl)C2)s1 ZINC000378011290 337065104 /nfs/dbraw/zinc/06/51/04/337065104.db2.gz UHENOHOOMGLQMH-GFCCVEGCSA-N 0 3 317.845 3.642 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000171736965 337088657 /nfs/dbraw/zinc/08/86/57/337088657.db2.gz RPOHZOPNZNPUIR-UHFFFAOYSA-N 0 3 315.461 3.890 20 30 DHEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000176129482 337150295 /nfs/dbraw/zinc/15/02/95/337150295.db2.gz DGHOPYOZSOBINT-FUHWJXTLSA-N 0 3 300.446 3.512 20 30 DHEDHN C=CCC[C@H](CO)NCc1cc(Br)ccc1Cl ZINC000321010294 337164713 /nfs/dbraw/zinc/16/47/13/337164713.db2.gz MILNLBBLVFJTRD-GFCCVEGCSA-N 0 3 318.642 3.519 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cc(C)sc1C ZINC000179370356 337167425 /nfs/dbraw/zinc/16/74/25/337167425.db2.gz WROFIJZTFALZBJ-KGLIPLIRSA-N 0 3 308.491 3.829 20 30 DHEDHN CCN(CC)CCSc1nc(C)cc(C(F)(F)F)c1C#N ZINC000181311810 337181230 /nfs/dbraw/zinc/18/12/30/337181230.db2.gz ZSTGWZXLJQKPCK-UHFFFAOYSA-N 0 3 317.380 3.714 20 30 DHEDHN COc1cc(CNCc2cc3c(ccc(C)c3C)[nH]2)ccc1C#N ZINC000582934170 337215972 /nfs/dbraw/zinc/21/59/72/337215972.db2.gz DMYGARUJENPKIN-UHFFFAOYSA-N 0 3 319.408 3.955 20 30 DHEDHN COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(CC#N)cc1 ZINC000583203826 337269740 /nfs/dbraw/zinc/26/97/40/337269740.db2.gz VPSGMGWYLSHKIL-FQEVSTJZSA-N 0 3 306.409 3.928 20 30 DHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000190726564 337289170 /nfs/dbraw/zinc/28/91/70/337289170.db2.gz QFBTZNIPRDFHSF-LLVKDONJSA-N 0 3 323.318 3.646 20 30 DHEDHN CCn1c(C)cc(C(=O)C(C#N)c2cnc3ccccc3n2)c1C ZINC000190966307 337291827 /nfs/dbraw/zinc/29/18/27/337291827.db2.gz FPPCKUOSUJPVPB-HNNXBMFYSA-N 0 3 318.380 3.558 20 30 DHEDHN N#CCSCCCN1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191687376 337300467 /nfs/dbraw/zinc/30/04/67/337300467.db2.gz ARBHQSHSMHPIMK-CYBMUJFWSA-N 0 3 310.413 3.791 20 30 DHEDHN N#Cc1ccc(CN(Cc2cccc(O)c2)CC2CC2)cc1F ZINC000192024238 337302045 /nfs/dbraw/zinc/30/20/45/337302045.db2.gz JBIRSXJZNCBQTH-UHFFFAOYSA-N 0 3 310.372 3.815 20 30 DHEDHN CC[C@@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)OC ZINC000583722298 337318179 /nfs/dbraw/zinc/31/81/79/337318179.db2.gz QAHZDAZRONUYHQ-IBGZPJMESA-N 0 3 324.424 3.652 20 30 DHEDHN CC(C)CCN(CC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000532932120 337393741 /nfs/dbraw/zinc/39/37/41/337393741.db2.gz DQIWASGMIVJZRA-UHFFFAOYSA-N 0 3 319.474 3.849 20 30 DHEDHN C#CCCCCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000119862464 337395089 /nfs/dbraw/zinc/39/50/89/337395089.db2.gz BUHFJDFBYAPVJM-QGZVFWFLSA-N 0 3 312.457 3.522 20 30 DHEDHN N#Cc1cccc(CNCc2cccc(Br)c2)c1 ZINC000037501717 337395647 /nfs/dbraw/zinc/39/56/47/337395647.db2.gz PUHRWZZEIXDZJK-UHFFFAOYSA-N 0 3 301.187 3.611 20 30 DHEDHN CCOc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1OC ZINC000048710045 337435125 /nfs/dbraw/zinc/43/51/25/337435125.db2.gz VEGSQYMFNDIEIN-AWEZNQCLSA-N 0 3 310.397 3.816 20 30 DHEDHN N#Cc1ccc(CNC[C@H]2SCCc3ccccc32)cc1F ZINC000421363684 337532250 /nfs/dbraw/zinc/53/22/50/337532250.db2.gz LXIBRYDNWJXMFP-GOSISDBHSA-N 0 3 312.413 3.818 20 30 DHEDHN C#CCCN[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271836108 337645551 /nfs/dbraw/zinc/64/55/51/337645551.db2.gz XSQSDWPIBLQFIR-OAHLLOKOSA-N 0 3 324.399 3.681 20 30 DHEDHN C=CCC[C@@H](NC[C@@H](O)c1cccc(OC)c1)c1ccco1 ZINC000276511277 337665299 /nfs/dbraw/zinc/66/52/99/337665299.db2.gz ZIMAWMSDWFRTRZ-IAGOWNOFSA-N 0 3 301.386 3.619 20 30 DHEDHN CC[C@H](NCc1cccc(OCCOC)c1)c1ccc(C#N)cc1 ZINC000572468722 337666363 /nfs/dbraw/zinc/66/63/63/337666363.db2.gz YHXDSKGXBBEFEL-FQEVSTJZSA-N 0 3 324.424 3.824 20 30 DHEDHN C=CCOc1cccc(NC(=O)C(C)(C)[C@@H](N)c2ccccc2)c1 ZINC000423082979 337698649 /nfs/dbraw/zinc/69/86/49/337698649.db2.gz XXDDCNAZIVUCSG-SFHVURJKSA-N 0 3 324.424 3.916 20 30 DHEDHN C=CCCCCCN(C)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423200230 337703564 /nfs/dbraw/zinc/70/35/64/337703564.db2.gz FAJWWDPUVASJGI-KRWDZBQOSA-N 0 3 302.462 3.917 20 30 DHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3ccc(Br)cc32)C1 ZINC000424322245 337820501 /nfs/dbraw/zinc/82/05/01/337820501.db2.gz IFKXWPZDVCFWHG-ZBINZKHDSA-N 0 3 305.219 3.718 20 30 DHEDHN COc1ccc(CCNCc2ccc(C#N)cc2F)c(Cl)c1 ZINC000533309769 337840617 /nfs/dbraw/zinc/84/06/17/337840617.db2.gz NZUXNKPMZAQOQP-UHFFFAOYSA-N 0 3 318.779 3.692 20 30 DHEDHN C=C(C)COCCN[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000090451245 337880932 /nfs/dbraw/zinc/88/09/32/337880932.db2.gz JEIRLNMGYZUNDU-CYBMUJFWSA-N 0 3 317.458 3.757 20 30 DHEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1cccc(F)c1F ZINC000537127458 337894056 /nfs/dbraw/zinc/89/40/56/337894056.db2.gz QTLFGXRNLSCLOY-ZDUSSCGKSA-N 0 3 316.351 3.956 20 30 DHEDHN CCCOc1ccc(OCCN2CCC(CCC#N)CC2)cc1 ZINC000514725064 337969380 /nfs/dbraw/zinc/96/93/80/337969380.db2.gz MKCXTRPJPFQOLE-UHFFFAOYSA-N 0 3 316.445 3.870 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000516071192 338003536 /nfs/dbraw/zinc/00/35/36/338003536.db2.gz FWXLXTFQVMUFDB-GOEBONIOSA-N 0 3 320.502 3.850 20 30 DHEDHN CC(C)(C)CCN1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000426385367 338029947 /nfs/dbraw/zinc/02/99/47/338029947.db2.gz NHJAORWWRNKUQW-UHFFFAOYSA-N 0 3 318.892 3.745 20 30 DHEDHN C=Cc1ccc(CCNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000428282419 338045391 /nfs/dbraw/zinc/04/53/91/338045391.db2.gz DRHVZHMWYNNRKE-FQEVSTJZSA-N 0 3 318.420 3.761 20 30 DHEDHN CC(C)c1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428787393 338061070 /nfs/dbraw/zinc/06/10/70/338061070.db2.gz YKMXXGRBAFINCS-IBGZPJMESA-N 0 3 321.424 3.730 20 30 DHEDHN CC1(C)Cc2ccc(Br)cc2[C@@H]1NCCCC#N ZINC000429278721 338075729 /nfs/dbraw/zinc/07/57/29/338075729.db2.gz RMYYLFDYRBQFJW-AWEZNQCLSA-N 0 3 307.235 3.966 20 30 DHEDHN C[C@H](NCc1ccc(CC#N)cc1)[C@@H]1OCCc2sccc21 ZINC000429129008 338071478 /nfs/dbraw/zinc/07/14/78/338071478.db2.gz CVDBEZUPGSGIHK-UGSOOPFHSA-N 0 3 312.438 3.606 20 30 DHEDHN C=CCn1cccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430613232 338109791 /nfs/dbraw/zinc/10/97/91/338109791.db2.gz UTMWBGXKBLJOCA-LBPRGKRZSA-N 0 3 313.426 3.918 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc(N(C)C)c2)n1 ZINC000430665810 338110875 /nfs/dbraw/zinc/11/08/75/338110875.db2.gz BTNLXHDNXIDEOJ-AWEZNQCLSA-N 0 3 313.426 3.823 20 30 DHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000430751114 338113667 /nfs/dbraw/zinc/11/36/67/338113667.db2.gz SIXUGAIMXJMLNQ-GFCCVEGCSA-N 0 3 312.335 3.972 20 30 DHEDHN COc1ccc(CN2CC(C)=C[C@@H](C)C2)cc1OCCCC#N ZINC000430866583 338117491 /nfs/dbraw/zinc/11/74/91/338117491.db2.gz HGKPDEUOOAQFOJ-OAHLLOKOSA-N 0 3 314.429 3.776 20 30 DHEDHN C=CCOc1cccc(NC(=O)C[C@@H](c2ccccc2)N(C)C)c1 ZINC000431749435 338138023 /nfs/dbraw/zinc/13/80/23/338138023.db2.gz CINAMNJGIXPIPK-IBGZPJMESA-N 0 3 324.424 3.883 20 30 DHEDHN C=C(C)CN1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432322593 338153015 /nfs/dbraw/zinc/15/30/15/338153015.db2.gz MDTHLVYIBZKRBR-UHFFFAOYSA-N 0 3 309.797 3.701 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000433101259 338181839 /nfs/dbraw/zinc/18/18/39/338181839.db2.gz DLCRBKVYARCVEF-MRXNPFEDSA-N 0 3 312.800 3.729 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCC1(c2ccccc2)CC1 ZINC000433217940 338186175 /nfs/dbraw/zinc/18/61/75/338186175.db2.gz BZXQXVMBGUMXBZ-GOSISDBHSA-N 0 3 318.420 3.607 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N(Cc1ccccc1)C1CC1 ZINC000433225107 338186456 /nfs/dbraw/zinc/18/64/56/338186456.db2.gz GJMVICMRHCRFKO-IBGZPJMESA-N 0 3 318.420 3.950 20 30 DHEDHN CCc1ccc(CNC(=O)C(C#N)CCc2ccccc2)s1 ZINC000433226453 338186666 /nfs/dbraw/zinc/18/66/66/338186666.db2.gz GQUKNMJBMDRMGV-HNNXBMFYSA-N 0 3 312.438 3.699 20 30 DHEDHN C=CCN(Cc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433232388 338186950 /nfs/dbraw/zinc/18/69/50/338186950.db2.gz LQXHCFQMZOPSQK-FQEVSTJZSA-N 0 3 318.420 3.974 20 30 DHEDHN C[C@H](Cc1ccccc1F)NC(=O)C(C#N)CCc1ccccc1 ZINC000433306827 338190780 /nfs/dbraw/zinc/19/07/80/338190780.db2.gz SHQPBPMTSAFALZ-CRAIPNDOSA-N 0 3 324.399 3.645 20 30 DHEDHN CCN(CCc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433321984 338192362 /nfs/dbraw/zinc/19/23/62/338192362.db2.gz YUSPPHWTEPZURZ-FQEVSTJZSA-N 0 3 320.436 3.850 20 30 DHEDHN CCSCC[C@H](C)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433375239 338194121 /nfs/dbraw/zinc/19/41/21/338194121.db2.gz XMOAETQKIXIWIN-RDJZCZTQSA-N 0 3 318.486 3.749 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC(F)(c2ccccc2)CC1 ZINC000434496795 338218461 /nfs/dbraw/zinc/21/84/61/338218461.db2.gz AEIRMGQXBGEIGK-UHFFFAOYSA-N 0 3 324.399 3.898 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccccc1Br ZINC000435723803 338246321 /nfs/dbraw/zinc/24/63/21/338246321.db2.gz ABBJGSTUKFYFCD-ZFWWWQNUSA-N 0 3 310.235 3.520 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@H]2C(C)(C)O)cc1Cl ZINC000154445343 338243488 /nfs/dbraw/zinc/24/34/88/338243488.db2.gz OXBFMWZICPJAFT-MRXNPFEDSA-N 0 3 309.837 3.640 20 30 DHEDHN Cc1ccc2c(CCNCc3ccc(C#N)cc3F)cn(C)c2c1 ZINC000436415289 338271865 /nfs/dbraw/zinc/27/18/65/338271865.db2.gz XDYZHLWWZAANKQ-UHFFFAOYSA-N 0 3 321.399 3.830 20 30 DHEDHN C=CCCOCCN[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000155624229 338297623 /nfs/dbraw/zinc/29/76/23/338297623.db2.gz GVSGTIWOMFBMMA-GFCCVEGCSA-N 0 3 303.324 3.829 20 30 DHEDHN C=CCCOCCN[C@@H]1CCc2c1cccc2Br ZINC000155653042 338299838 /nfs/dbraw/zinc/29/98/38/338299838.db2.gz BKFDZIVRSLVWIZ-OAHLLOKOSA-N 0 3 310.235 3.619 20 30 DHEDHN COc1ccc(C#N)cc1CN1C[C@@H](c2ccccc2)C[C@H]1C ZINC000437849367 338323281 /nfs/dbraw/zinc/32/32/81/338323281.db2.gz GCVOFULZAPKVRI-QAPCUYQASA-N 0 3 306.409 3.945 20 30 DHEDHN C=CCC1(C(=O)NCc2ccc(CN(C)C)cc2)CCCCC1 ZINC000448593549 338324683 /nfs/dbraw/zinc/32/46/83/338324683.db2.gz BNMQLIDERWARDF-UHFFFAOYSA-N 0 3 314.473 3.891 20 30 DHEDHN C[C@@](CO)(NCC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000438061907 338329386 /nfs/dbraw/zinc/32/93/86/338329386.db2.gz VEVPVNUPMUCSPF-SFHVURJKSA-N 0 3 305.849 3.612 20 30 DHEDHN C[C@H](Cc1ccc(O)cc1)N(C)CC#Cc1cccc(Cl)c1 ZINC000438607264 338349891 /nfs/dbraw/zinc/34/98/91/338349891.db2.gz KOIBQDBFTGYWEX-OAHLLOKOSA-N 0 3 313.828 3.960 20 30 DHEDHN C=CCC[C@H](NCc1cccnc1OCC(F)(F)F)C1CC1 ZINC000439080064 338360488 /nfs/dbraw/zinc/36/04/88/338360488.db2.gz TYLNZWBHJHYUOX-AWEZNQCLSA-N 0 3 314.351 3.857 20 30 DHEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000439108900 338361248 /nfs/dbraw/zinc/36/12/48/338361248.db2.gz NQWGASPVSJBBAE-OAHLLOKOSA-N 0 3 306.413 3.591 20 30 DHEDHN C[C@H](Nc1ncc(C#N)cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000439128377 338361828 /nfs/dbraw/zinc/36/18/28/338361828.db2.gz NGEDLGDNNNKSGB-LRDDRELGSA-N 0 3 314.820 3.710 20 30 DHEDHN CC[C@](C)(O)CN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000439263933 338365354 /nfs/dbraw/zinc/36/53/54/338365354.db2.gz SWXMCOSEWDFNPE-NRFANRHFSA-N 0 3 322.452 3.916 20 30 DHEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000439439690 338369450 /nfs/dbraw/zinc/36/94/50/338369450.db2.gz MUFOSCVAEFHPQL-IAGOWNOFSA-N 0 3 306.837 3.895 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(N3CCCCCC3)c2)C1 ZINC000446762719 338535486 /nfs/dbraw/zinc/53/54/86/338535486.db2.gz VKZYZHCWDRSKRT-AEFFLSMTSA-N 0 3 312.461 3.634 20 30 DHEDHN C=CCCCC[C@H](C)[NH2+][C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000449290686 338609889 /nfs/dbraw/zinc/60/98/89/338609889.db2.gz HDHDWGFCBNXHQH-LSDHHAIUSA-N 0 3 313.449 3.961 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Br)cc1Cl ZINC000449517475 338633874 /nfs/dbraw/zinc/63/38/74/338633874.db2.gz FZVFOIWOCKUTOK-OLZOCXBDSA-N 0 3 316.626 3.536 20 30 DHEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)Cc1ccccc1 ZINC000450718375 338700865 /nfs/dbraw/zinc/70/08/65/338700865.db2.gz NHBAKTSGRMZJCB-WMLDXEAASA-N 0 3 312.388 3.606 20 30 DHEDHN Clc1ccccc1C#CCN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450857915 338708865 /nfs/dbraw/zinc/70/88/65/338708865.db2.gz KECHUGGDFSXOFQ-NXHRZFHOSA-N 0 3 315.844 3.629 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(Cl)c1 ZINC000450862209 338709119 /nfs/dbraw/zinc/70/91/19/338709119.db2.gz OOUKFHARPRXXDT-OIISXLGYSA-N 0 3 316.832 3.649 20 30 DHEDHN N#Cc1c(F)cccc1CNC1(Cc2ccccc2)CCOCC1 ZINC000451942222 338748537 /nfs/dbraw/zinc/74/85/37/338748537.db2.gz CSGMPKAFZHPXOM-UHFFFAOYSA-N 0 3 324.399 3.579 20 30 DHEDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1(c2cccc(C#N)c2)CC1 ZINC000453176216 338803050 /nfs/dbraw/zinc/80/30/50/338803050.db2.gz PZBZKNYYCDAWIO-AWEZNQCLSA-N 0 3 321.380 3.676 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453340635 338827715 /nfs/dbraw/zinc/82/77/15/338827715.db2.gz HVQYTJCUMNFHFJ-IKGGRYGDSA-N 0 3 316.401 3.640 20 30 DHEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000453343200 338827971 /nfs/dbraw/zinc/82/79/71/338827971.db2.gz GKOSESANZFHUKE-CMPLNLGQSA-N 0 3 319.779 3.919 20 30 DHEDHN CCCOc1c(CNCC(C)(C)CC#N)cccc1OCC ZINC000459683709 339042968 /nfs/dbraw/zinc/04/29/68/339042968.db2.gz CNSDNXOODRXSGN-UHFFFAOYSA-N 0 3 304.434 3.904 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000459742754 339045566 /nfs/dbraw/zinc/04/55/66/339045566.db2.gz BVLOINZTAJUHSU-VQTJNVASSA-N 0 3 315.457 3.624 20 30 DHEDHN Cc1ccc([C@H](Cn2ccnc2)N[C@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000463247222 339111799 /nfs/dbraw/zinc/11/17/99/339111799.db2.gz VACFDHGCROVXFP-HBFSDRIKSA-N 0 3 322.456 3.913 20 30 DHEDHN C=CCN(CCCC1CCOCC1)Cc1ccc(OC)cc1 ZINC000463291086 339113613 /nfs/dbraw/zinc/11/36/13/339113613.db2.gz VSFHXIJWEFFJPL-UHFFFAOYSA-N 0 3 303.446 3.890 20 30 DHEDHN C=CC[C@H](CO)NCc1ccc(Oc2cccc(F)c2)cc1 ZINC000466389630 339202006 /nfs/dbraw/zinc/20/20/06/339202006.db2.gz RJIWKMDHQINOKU-MRXNPFEDSA-N 0 3 301.361 3.645 20 30 DHEDHN COCC[C@H]1CCCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000467272520 339229501 /nfs/dbraw/zinc/22/95/01/339229501.db2.gz DLSZQUQGFPIKRL-QGZVFWFLSA-N 0 3 305.849 3.830 20 30 DHEDHN COC[C@@H](NCCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000467434699 339238288 /nfs/dbraw/zinc/23/82/88/339238288.db2.gz VYFSFRYMIOBZNH-GOSISDBHSA-N 0 3 314.816 3.731 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000467840977 339247387 /nfs/dbraw/zinc/24/73/87/339247387.db2.gz KKWKSZVUZFUUAC-UYAOXDASSA-N 0 3 314.473 3.850 20 30 DHEDHN N#Cc1cc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)ccc1F ZINC000468273007 339258438 /nfs/dbraw/zinc/25/84/38/339258438.db2.gz ZSNCFANDHCRZNM-INIZCTEOSA-N 0 3 312.363 3.901 20 30 DHEDHN C=C[C@@H](CC(=O)NC[C@H]1N(C)CCCC1(C)C)c1ccccc1 ZINC000468480246 339263683 /nfs/dbraw/zinc/26/36/83/339263683.db2.gz UCFLCIATPUUSAG-FUHWJXTLSA-N 0 3 314.473 3.583 20 30 DHEDHN CCCN(Cc1cc(F)ccc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000469279990 339285025 /nfs/dbraw/zinc/28/50/25/339285025.db2.gz XVPGIXWGDPLSID-KURKYZTESA-N 0 3 316.420 3.723 20 30 DHEDHN CCN(c1ccccc1)c1ccc(CNC(=O)C(C)C#N)cc1 ZINC000469623249 339294765 /nfs/dbraw/zinc/29/47/65/339294765.db2.gz UQKYJSFAZOROCO-OAHLLOKOSA-N 0 3 307.397 3.620 20 30 DHEDHN C=C[C@@H](CC(=O)NCCN1CCCC(C)(C)C1)c1ccccc1 ZINC000470299195 339316607 /nfs/dbraw/zinc/31/66/07/339316607.db2.gz VGUOWFFDYWCVJC-KRWDZBQOSA-N 0 3 314.473 3.585 20 30 DHEDHN C=CCOCCCN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000470726814 339326392 /nfs/dbraw/zinc/32/63/92/339326392.db2.gz OUOPBZSNQCLUJQ-UHFFFAOYSA-N 0 3 303.324 3.610 20 30 DHEDHN C=CCOCCCN1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000470761124 339327103 /nfs/dbraw/zinc/32/71/03/339327103.db2.gz VFBINWFJTDVKPY-IKGGRYGDSA-N 0 3 323.477 3.554 20 30 DHEDHN C=CCOCCCN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000470776456 339327595 /nfs/dbraw/zinc/32/75/95/339327595.db2.gz IGDIDXSHUALUJI-MRXNPFEDSA-N 0 3 322.880 3.611 20 30 DHEDHN C=CCOc1ccccc1CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000473119945 339381370 /nfs/dbraw/zinc/38/13/70/339381370.db2.gz RJJFQQREJFCION-NRFANRHFSA-N 0 3 321.420 3.883 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000481693318 339609910 /nfs/dbraw/zinc/60/99/10/339609910.db2.gz QSZDRHRJBUIYFG-HZPDHXFCSA-N 0 3 321.509 3.541 20 30 DHEDHN CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)CC(C)(C)C#N ZINC000496623583 340009108 /nfs/dbraw/zinc/00/91/08/340009108.db2.gz MSDTVFXZWIKSEE-UHFFFAOYSA-N 0 3 323.481 3.505 20 30 DHEDHN CC(C)N(CCC#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496730029 340011460 /nfs/dbraw/zinc/01/14/60/340011460.db2.gz IEDZOPGETJPVCP-HZPDHXFCSA-N 0 3 323.481 3.646 20 30 DHEDHN CC(C)C[C@H](CN1CCC(CC#N)CC1)NC(=O)OC(C)(C)C ZINC000496787424 340012998 /nfs/dbraw/zinc/01/29/98/340012998.db2.gz UJOJMLBHSUBJAJ-MRXNPFEDSA-N 0 3 323.481 3.551 20 30 DHEDHN CCC[C@@H](NC(C)C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000498644538 340021385 /nfs/dbraw/zinc/02/13/85/340021385.db2.gz SGNQVJAHSPOPGC-MRXNPFEDSA-N 0 3 301.434 3.593 20 30 DHEDHN CCC[C@H](NC(C)C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000498644537 340021421 /nfs/dbraw/zinc/02/14/21/340021421.db2.gz SGNQVJAHSPOPGC-INIZCTEOSA-N 0 3 301.434 3.593 20 30 DHEDHN C=CCN1CC[C@H](N[C@H](c2ccc(Cl)cc2)[C@@H](C)CC)C1=O ZINC000499608216 340040702 /nfs/dbraw/zinc/04/07/02/340040702.db2.gz UQGGSWAVSAQZAB-JQFCIGGWSA-N 0 3 320.864 3.804 20 30 DHEDHN C=CCOCCCN1CCC(F)(c2cccc(OC)c2)CC1 ZINC000500161865 340051625 /nfs/dbraw/zinc/05/16/25/340051625.db2.gz PKXSCEFBSBFULJ-UHFFFAOYSA-N 0 3 307.409 3.549 20 30 DHEDHN COc1cc(C#N)ccc1CN1C[C@H](c2ccccc2)C[C@H]1C ZINC000501199529 340076106 /nfs/dbraw/zinc/07/61/06/340076106.db2.gz AQXDLNWAUOMCEL-DNVCBOLYSA-N 0 3 306.409 3.945 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)c(Cl)c1 ZINC000502525575 340106977 /nfs/dbraw/zinc/10/69/77/340106977.db2.gz VMGYEWFYWOTSAH-ZIAGYGMSSA-N 0 3 314.763 3.852 20 30 DHEDHN CN(C)c1ccccc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502535034 340107092 /nfs/dbraw/zinc/10/70/92/340107092.db2.gz UUEZLVZKSIWDRZ-UHFFFAOYSA-N 0 3 317.436 3.914 20 30 DHEDHN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1ccc(C#N)cc1F ZINC000503949632 340138229 /nfs/dbraw/zinc/13/82/29/340138229.db2.gz RSVUQTCCZMMSNG-COLVAYQJSA-N 0 3 312.335 3.898 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000505010555 340158607 /nfs/dbraw/zinc/15/86/07/340158607.db2.gz IKDZDTXFVMUKDP-SJORKVTESA-N 0 3 313.445 3.506 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000505059698 340160337 /nfs/dbraw/zinc/16/03/37/340160337.db2.gz AOEAINUZEBLRSI-NVXWUHKLSA-N 0 3 315.461 3.752 20 30 DHEDHN Cc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000505760729 340176867 /nfs/dbraw/zinc/17/68/67/340176867.db2.gz XCNOAMGTTIBHBR-UHFFFAOYSA-N 0 3 305.425 3.579 20 30 DHEDHN C=CCCC1(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000510546527 340302345 /nfs/dbraw/zinc/30/23/45/340302345.db2.gz IUHJDOCNTJENRH-AEFFLSMTSA-N 0 3 314.473 3.849 20 30 DHEDHN C=CCC1(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)CCC1 ZINC000510544630 340302385 /nfs/dbraw/zinc/30/23/85/340302385.db2.gz DZGOVAWGOYSPBA-WMZOPIPTSA-N 0 3 314.473 3.849 20 30 DHEDHN N#Cc1ccc(OCCNC/C=C/c2ccc(F)c(F)c2)cc1 ZINC000512068008 340347531 /nfs/dbraw/zinc/34/75/31/340347531.db2.gz OMNDVNYJSPMVMN-OWOJBTEDSA-N 0 3 314.335 3.518 20 30 DHEDHN C=C(C)CN(CCc1ccc(CC)cc1)Cc1ccc(CO)o1 ZINC000512227388 340353226 /nfs/dbraw/zinc/35/32/26/340353226.db2.gz LMOQJZXRPDFOIW-UHFFFAOYSA-N 0 3 313.441 3.955 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000512532679 340365829 /nfs/dbraw/zinc/36/58/29/340365829.db2.gz UCGXYNGXKIHIEQ-UHFFFAOYSA-N 0 3 312.369 3.758 20 30 DHEDHN C[C@H](NCCCN1CCc2ccccc21)c1ccc(C#N)cc1F ZINC000512614515 340369070 /nfs/dbraw/zinc/36/90/70/340369070.db2.gz WDLOBNQPTNVHGP-HNNXBMFYSA-N 0 3 323.415 3.801 20 30 DHEDHN COc1ccc(CCCN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512629179 340369851 /nfs/dbraw/zinc/36/98/51/340369851.db2.gz HSHDCANQELAXNJ-CQSZACIVSA-N 0 3 312.388 3.989 20 30 DHEDHN C[C@H](NCCCOc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512635440 340370378 /nfs/dbraw/zinc/37/03/78/340370378.db2.gz HDIVFVRSZIFJTA-ZDUSSCGKSA-N 0 3 316.351 3.956 20 30 DHEDHN C[C@@H](NCCCN(C)c1ccccc1)c1ccc(C#N)cc1F ZINC000512643049 340370577 /nfs/dbraw/zinc/37/05/77/340370577.db2.gz VCHURQSXMKSBCP-OAHLLOKOSA-N 0 3 311.404 3.874 20 30 DHEDHN C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)c1ccc(C#N)cc1F ZINC000512654126 340371377 /nfs/dbraw/zinc/37/13/77/340371377.db2.gz JKFHRTZHLLKLMZ-DCGLDWPTSA-N 0 3 310.372 3.913 20 30 DHEDHN CCOc1cccc(CCN[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512661206 340371737 /nfs/dbraw/zinc/37/17/37/340371737.db2.gz QJJCYQLMJQXMDD-AWEZNQCLSA-N 0 3 312.388 3.989 20 30 DHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1ccc(F)cc1 ZINC000512662534 340371793 /nfs/dbraw/zinc/37/17/93/340371793.db2.gz YCYVFWMGSUSGRE-STQMWFEESA-N 0 3 316.351 3.955 20 30 DHEDHN COc1cccc(CCCN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512672262 340372295 /nfs/dbraw/zinc/37/22/95/340372295.db2.gz JSEHVABSXAWTQF-CQSZACIVSA-N 0 3 312.388 3.989 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CCCCCC1)C(C)C ZINC000522170337 340581274 /nfs/dbraw/zinc/58/12/74/340581274.db2.gz GIHRLUDMHVZUDD-SFHVURJKSA-N 0 3 306.494 3.772 20 30 DHEDHN C=CC[C@@H](CO)CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000539226323 340877359 /nfs/dbraw/zinc/87/73/59/340877359.db2.gz JKAWCNUPLCPQRT-CYBMUJFWSA-N 0 3 305.805 3.874 20 30 DHEDHN C=CCC[C@H](NCc1ccn(-c2ccc(OC)cc2)n1)C1CC1 ZINC000540174757 340920552 /nfs/dbraw/zinc/92/05/52/340920552.db2.gz XZNAZUNWQSQBBN-IBGZPJMESA-N 0 3 311.429 3.715 20 30 DHEDHN C=CCOc1ccc(CN[C@@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000542315936 341004200 /nfs/dbraw/zinc/00/42/00/341004200.db2.gz XSSHSLJVJFVYNF-MSOLQXFVSA-N 0 3 321.848 3.952 20 30 DHEDHN CN(Cc1ccc(OCC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000130753517 341040844 /nfs/dbraw/zinc/04/08/44/341040844.db2.gz XCXBPWJWPRGHTM-UHFFFAOYSA-N 0 3 316.351 3.834 20 30 DHEDHN Cc1ccc([C@H](NCCOc2ccc(C#N)cc2)C2CCC2)o1 ZINC000543598978 341050395 /nfs/dbraw/zinc/05/03/95/341050395.db2.gz KBJVVXXRFZYICU-LJQANCHMSA-N 0 3 310.397 3.970 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c(C)c2Cl)CC1 ZINC000543993744 341065432 /nfs/dbraw/zinc/06/54/32/341065432.db2.gz AYXIQZYXEMKOQP-UHFFFAOYSA-N 0 3 320.864 3.727 20 30 DHEDHN CC[C@H](CCc1ccc(Br)cc1)NC[C@H](C)C#N ZINC000133033103 341152419 /nfs/dbraw/zinc/15/24/19/341152419.db2.gz HMWUJJAJPXGJKR-IUODEOHRSA-N 0 3 309.251 3.910 20 30 DHEDHN C=C(C)CN1CCC(Oc2cccc(Br)c2)CC1 ZINC000546102604 341154008 /nfs/dbraw/zinc/15/40/08/341154008.db2.gz CWUIIXVPRZYRBK-UHFFFAOYSA-N 0 3 310.235 3.868 20 30 DHEDHN N#Cc1cccc(CN2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000075864180 341186555 /nfs/dbraw/zinc/18/65/55/341186555.db2.gz DIXYSXSPGVAVAF-HXUWFJFHSA-N 0 3 306.409 3.597 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000076737365 341213383 /nfs/dbraw/zinc/21/33/83/341213383.db2.gz ZQLAYOFRCUZHBB-GFCCVEGCSA-N 0 3 312.360 3.513 20 30 DHEDHN C=C(C)COCCNCc1cnc(-c2ccc(C)cc2)s1 ZINC000134503817 341216631 /nfs/dbraw/zinc/21/66/31/341216631.db2.gz BEEXPTRFEXCZAF-UHFFFAOYSA-N 0 3 302.443 3.801 20 30 DHEDHN N#Cc1ccc(OCCNCc2ccc3ccccc3c2)cc1 ZINC000237845263 341221810 /nfs/dbraw/zinc/22/18/10/341221810.db2.gz BUXPWPRKBIAPIT-UHFFFAOYSA-N 0 3 302.377 3.880 20 30 DHEDHN CN(CCC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000135287351 341235595 /nfs/dbraw/zinc/23/55/95/341235595.db2.gz XWSTVJSCOGMITL-UHFFFAOYSA-N 0 3 316.445 3.651 20 30 DHEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000548317983 341255832 /nfs/dbraw/zinc/25/58/32/341255832.db2.gz PEKGZHOGWURXCN-UHFFFAOYSA-N 0 3 313.788 3.526 20 30 DHEDHN CCN(CCOc1cccc(C#N)c1)[C@H](C)c1cccc(O)c1 ZINC000080932733 341276926 /nfs/dbraw/zinc/27/69/26/341276926.db2.gz DMEOTYXZMLXIRR-OAHLLOKOSA-N 0 3 310.397 3.726 20 30 DHEDHN C=CCOCCN(Cc1ccc(OC)cc1OC)C(C)(C)C ZINC000549866150 341305493 /nfs/dbraw/zinc/30/54/93/341305493.db2.gz PDHOAAKPLWURBB-UHFFFAOYSA-N 0 3 307.434 3.507 20 30 DHEDHN N#Cc1ccc(Br)c(CN2CC[C@H](CC3CC3)C2)c1 ZINC000550041201 341309011 /nfs/dbraw/zinc/30/90/11/341309011.db2.gz XAMOPZZUVUKLSD-CQSZACIVSA-N 0 3 319.246 3.943 20 30 DHEDHN C=CCOCCN1CCC(c2cccc(Br)c2)CC1 ZINC000550057739 341309258 /nfs/dbraw/zinc/30/92/58/341309258.db2.gz MBGRRAIYRVWEDV-UHFFFAOYSA-N 0 3 324.262 3.831 20 30 DHEDHN C[C@@H](NC[C@H](CO)C1CCCCC1)c1ccc(C#N)cc1F ZINC000550898120 341326222 /nfs/dbraw/zinc/32/62/22/341326222.db2.gz SBQBVLHDXZMVQJ-CZUORRHYSA-N 0 3 304.409 3.537 20 30 DHEDHN COc1ccc(CN2CCC[C@@H](c3ccccc3)C2)cc1C#N ZINC000552274200 341383034 /nfs/dbraw/zinc/38/30/34/341383034.db2.gz GAYOHMYDLYLLQN-GOSISDBHSA-N 0 3 306.409 3.946 20 30 DHEDHN CC[C@H](C)C(=O)Nc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000248699519 341384609 /nfs/dbraw/zinc/38/46/09/341384609.db2.gz AATGNAZLZBXAGO-ZMSDIMECSA-N 0 3 313.445 3.843 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000249056789 341392800 /nfs/dbraw/zinc/39/28/00/341392800.db2.gz YVIMKAQHDMTCBO-NRXGSXMXSA-N 0 3 312.413 3.581 20 30 DHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cc(F)cc(F)c1 ZINC000090107515 341413566 /nfs/dbraw/zinc/41/35/66/341413566.db2.gz MJJFJDCXBIGCFS-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN C=CCCOCCN[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000090883849 341419995 /nfs/dbraw/zinc/41/99/95/341419995.db2.gz ZDSVVEWCAHLVPA-GFCCVEGCSA-N 0 3 303.324 3.829 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000555975989 341492073 /nfs/dbraw/zinc/49/20/73/341492073.db2.gz LIJIHGJGSJAUQN-OAHLLOKOSA-N 0 3 320.399 3.732 20 30 DHEDHN C=CCCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000565343335 341524517 /nfs/dbraw/zinc/52/45/17/341524517.db2.gz YKPNWJNNWHQRNY-UHFFFAOYSA-N 0 3 320.234 3.895 20 30 DHEDHN C[C@@]1(CN[C@@H]2CCc3ccc(C#N)cc32)OCCc2sccc21 ZINC000565334546 341524229 /nfs/dbraw/zinc/52/42/29/341524229.db2.gz NSNCGLMPQCEFSO-MJGOQNOKSA-N 0 3 324.449 3.685 20 30 DHEDHN Cc1cccc(O[C@H]2CCCC[C@H]2NCc2ccc(C#N)cn2)c1 ZINC000566415286 341557094 /nfs/dbraw/zinc/55/70/94/341557094.db2.gz AMQSRULQZUGEOC-UXHICEINSA-N 0 3 321.424 3.742 20 30 DHEDHN COc1cccc(C2(CNC[C@@H](C#N)CCC#N)CCCC2)c1 ZINC000568785150 341681626 /nfs/dbraw/zinc/68/16/26/341681626.db2.gz RPZIBQNWBBXKLM-MRXNPFEDSA-N 0 3 311.429 3.540 20 30 DHEDHN N#Cc1ccc(CNCCCO[C@H]2CCCc3ccccc32)o1 ZINC000174393627 341826430 /nfs/dbraw/zinc/82/64/30/341826430.db2.gz MRZZSDSKQAFDHJ-IBGZPJMESA-N 0 3 310.397 3.725 20 30 DHEDHN COc1ccc([C@H](CCC#N)N[C@@H](C)C[C@H]2CCCO2)cc1 ZINC000576662189 341857618 /nfs/dbraw/zinc/85/76/18/341857618.db2.gz IPYVBOBSBGRALR-QGTPRVQTSA-N 0 3 302.418 3.587 20 30 DHEDHN Cc1ccc(-c2nc(CCNCc3cc(C#N)cs3)co2)cc1 ZINC000177694228 341924104 /nfs/dbraw/zinc/92/41/04/341924104.db2.gz NSQGNHHMDHXPRJ-UHFFFAOYSA-N 0 3 323.421 3.916 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000190511689 517341196 /nfs/dbraw/zinc/34/11/96/517341196.db2.gz ZEFKDVNOSRJAJR-WBVHZDCISA-N 0 3 308.491 3.850 20 30 DHEDHN C[S@](=O)C[C@@H](NCCC1(C#N)CCCCC1)c1ccccc1 ZINC000411468774 518185655 /nfs/dbraw/zinc/18/56/55/518185655.db2.gz CVJKEQVIDWOVQN-VGSWGCGISA-N 0 3 318.486 3.560 20 30 DHEDHN Cc1cc(F)ccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528779283 518187352 /nfs/dbraw/zinc/18/73/52/518187352.db2.gz UPZZTEKHQUFBNP-UHFFFAOYSA-N 0 3 324.399 3.801 20 30 DHEDHN CC[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000163218864 523198178 /nfs/dbraw/zinc/19/81/78/523198178.db2.gz UVJKSQRQQMASCE-ZBFHGGJFSA-N 0 3 310.401 3.667 20 30 DHEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCSC1 ZINC000356089601 523213339 /nfs/dbraw/zinc/21/33/39/523213339.db2.gz QMMVDHCRQNSMDX-LBPRGKRZSA-N 0 3 300.349 3.514 20 30 DHEDHN COc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000157816324 524758282 /nfs/dbraw/zinc/75/82/82/524758282.db2.gz PVQAMHPUFVBBIW-OAHLLOKOSA-N 0 3 310.372 3.695 20 30 DHEDHN C[C@@H](Cc1cccc(Br)c1)NCc1ccc(C#N)o1 ZINC000237337567 524899184 /nfs/dbraw/zinc/89/91/84/524899184.db2.gz PRSSOENGPJREFJ-NSHDSACASA-N 0 3 319.202 3.635 20 30 DHEDHN COc1ccc([C@@H](NCc2ccc(F)c(C#N)c2)C2CC2)cc1 ZINC000160607758 525203410 /nfs/dbraw/zinc/20/34/10/525203410.db2.gz MKUMOVYXMLUBGQ-IBGZPJMESA-N 0 3 310.372 3.947 20 30 DHEDHN C[C@H](N[C@@H]1c2ccccc2CC[C@H]1CO)c1ccc(C#N)s1 ZINC000365092874 525592843 /nfs/dbraw/zinc/59/28/43/525592843.db2.gz JEBPKWVFPBGQJQ-YEWDVWPNSA-N 0 3 312.438 3.566 20 30 DHEDHN C[C@@H]1[C@@H](C)CCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000162941572 525647499 /nfs/dbraw/zinc/64/74/99/525647499.db2.gz JNTPVYMLFVZVTD-ZENOOKHLSA-N 0 3 310.401 3.523 20 30 DHEDHN Cc1ccc(C#N)c(NC[C@H](c2cccs2)N2CCCC2)n1 ZINC000160323413 525993138 /nfs/dbraw/zinc/99/31/38/525993138.db2.gz CMLPWXUYDUAVEK-OAHLLOKOSA-N 0 3 312.442 3.572 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000181026128 526624396 /nfs/dbraw/zinc/62/43/96/526624396.db2.gz FRSXRYYJIMZNSP-CYBMUJFWSA-N 0 3 317.845 3.642 20 30 DHEDHN N#Cc1ccc(F)c(CN[C@@H](c2ccccc2)C2CCOCC2)c1 ZINC000367733139 526639709 /nfs/dbraw/zinc/63/97/09/526639709.db2.gz ZTOGQJKROOUEHI-FQEVSTJZSA-N 0 3 324.399 3.955 20 30 DHEDHN CC[C@H](NCc1cccc(NC(=O)OC)c1)c1ccc(C#N)cc1 ZINC000287464213 535919259 /nfs/dbraw/zinc/91/92/59/535919259.db2.gz MAVGGMYFNZGPJC-SFHVURJKSA-N 0 3 323.396 3.977 20 30 DHEDHN CC1(C)CN(c2ccc(F)cc2C#N)CCN1Cc1ccccc1 ZINC000383110437 1013194102 /nfs/dbraw/zinc/19/41/02/1013194102.db2.gz NVRGKBAOLBRMCL-UHFFFAOYSA-N 0 3 323.415 3.798 20 30 DHEDHN C#C[C@H](N[C@@H](C)C[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000894870745 1013572569 /nfs/dbraw/zinc/57/25/69/1013572569.db2.gz OFUFSTCEGPITDX-XEZPLFJOSA-N 0 3 322.246 3.528 20 30 DHEDHN C#C[C@H](N[C@H](C)C[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000894870744 1013572261 /nfs/dbraw/zinc/57/22/61/1013572261.db2.gz OFUFSTCEGPITDX-WWGRRREGSA-N 0 3 322.246 3.528 20 30 DHEDHN CC(C)(CCN1CCN(c2ccc(C#N)cc2F)CC1)C1CC1 ZINC001167286419 1013586234 /nfs/dbraw/zinc/58/62/34/1013586234.db2.gz HYMQQMVDAJSMIU-UHFFFAOYSA-N 0 3 315.436 3.646 20 30 DHEDHN Cc1cccc(C)c1NC(=O)CN[C@H]1CCC(=O)NC12CCC2 ZINC000328707762 1013794443 /nfs/dbraw/zinc/79/44/43/1013794443.db2.gz QECDBDZSDZEFIY-AWEZNQCLSA-N 0 3 315.417 3.523 20 30 DHEDHN CCCN(Cc1ccc(F)cc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000580136902 1014040808 /nfs/dbraw/zinc/04/08/08/1014040808.db2.gz SSJFYFONXOEVQD-RCCFBDPRSA-N 0 3 316.420 3.723 20 30 DHEDHN CC(C)CN(Cc1ccc(Br)cc1C#N)C1CC1 ZINC000310850778 1014085220 /nfs/dbraw/zinc/08/52/20/1014085220.db2.gz APYIUXLEHFNPHQ-UHFFFAOYSA-N 0 3 307.235 3.941 20 30 DHEDHN C#Cc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000891313919 1014300848 /nfs/dbraw/zinc/30/08/48/1014300848.db2.gz CQZDWEGZUBADOD-UHFFFAOYSA-N 0 3 304.393 3.516 20 30 DHEDHN Cc1ccsc1[C@@H](CO)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614577918 1014317548 /nfs/dbraw/zinc/31/75/48/1014317548.db2.gz QJABFHZQPPQWHJ-MRXNPFEDSA-N 0 3 314.454 3.681 20 30 DHEDHN CCC[C@H](C)N(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000048071092 1014369118 /nfs/dbraw/zinc/36/91/18/1014369118.db2.gz YCNNWWQKJYALSX-KRWDZBQOSA-N 0 3 315.461 3.671 20 30 DHEDHN Cc1ccc(CN(C)C)cc1NC(=O)/C=C\c1ccccc1C#N ZINC000255291644 1014721161 /nfs/dbraw/zinc/72/11/61/1014721161.db2.gz PZGBLONMZQCCIH-KHPPLWFESA-N 0 3 319.408 3.580 20 30 DHEDHN CC(C)C[C@H](C)Oc1cc(CN[C@H]2CC[C@H](C#N)C2)ccn1 ZINC000442783626 1014732007 /nfs/dbraw/zinc/73/20/07/1014732007.db2.gz RQYAXAFLKAFERN-ZOBUZTSGSA-N 0 3 301.434 3.677 20 30 DHEDHN COc1ccc([C@H](NCc2c(C)cc(C#N)cc2C)C2CC2)cn1 ZINC000931338241 1032103390 /nfs/dbraw/zinc/10/33/90/1032103390.db2.gz PGWRPHBNCIOWJO-HXUWFJFHSA-N 0 3 321.424 3.820 20 30 DHEDHN C=CCCN[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000656680915 1015061353 /nfs/dbraw/zinc/06/13/53/1015061353.db2.gz XMZMPLSQTBVQCX-IBGZPJMESA-N 0 3 324.424 3.849 20 30 DHEDHN C=CCCN[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000656679463 1015057243 /nfs/dbraw/zinc/05/72/43/1015057243.db2.gz IYKHUEDRWDYGLZ-LJQANCHMSA-N 0 3 324.424 3.931 20 30 DHEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccc(CCC)cc1)C(C)C ZINC000783531810 1015438683 /nfs/dbraw/zinc/43/86/83/1015438683.db2.gz MGTRSBSWSQSBNV-GOSISDBHSA-N 0 3 323.502 3.527 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(Cl)nc2)cc1 ZINC000178247658 1015519704 /nfs/dbraw/zinc/51/97/04/1015519704.db2.gz SIAPGBVKJXGXCU-CYBMUJFWSA-N 0 3 300.789 3.598 20 30 DHEDHN CC(C)(C#N)CCCN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610604769 1015664064 /nfs/dbraw/zinc/66/40/64/1015664064.db2.gz KXLPSWAEQBYSJE-AOOOYVTPSA-N 0 3 316.289 3.989 20 30 DHEDHN CC1(C)[C@H](NCc2ccc(C#N)o2)C[C@@H]1OCc1ccccc1 ZINC000185736598 1015678724 /nfs/dbraw/zinc/67/87/24/1015678724.db2.gz OPELOMIDXXGNFV-MSOLQXFVSA-N 0 3 310.397 3.625 20 30 DHEDHN CSc1nc(CN2CC[C@H](c3ccccc3)C2)ccc1C#N ZINC001141929436 1015770447 /nfs/dbraw/zinc/77/04/47/1015770447.db2.gz VUYVWEOKAXVUON-INIZCTEOSA-N 0 3 309.438 3.665 20 30 DHEDHN N#Cc1ccc(C2CCN(c3cc(N)ncc3Cl)CC2)cc1 ZINC000896862447 1015788025 /nfs/dbraw/zinc/78/80/25/1015788025.db2.gz DXVZKYYZJWPMSU-UHFFFAOYSA-N 0 3 312.804 3.573 20 30 DHEDHN COC(=O)C(C)(C)[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000610908794 1015938917 /nfs/dbraw/zinc/93/89/17/1015938917.db2.gz HVZKFEXIDXDSDF-SFHVURJKSA-N 0 3 322.408 3.588 20 30 DHEDHN C[C@H](NCc1ccc(-c2cc[nH]n2)cc1)c1cccc(C#N)c1 ZINC000320287948 1016076109 /nfs/dbraw/zinc/07/61/09/1016076109.db2.gz XYQCFHGQGIEUIA-AWEZNQCLSA-N 0 3 302.381 3.799 20 30 DHEDHN CCOc1ccc([C@H](COC)N[C@H](C)CC(C)(C)C#N)cc1 ZINC000926382658 1016558422 /nfs/dbraw/zinc/55/84/22/1016558422.db2.gz NUVZGSYPAYYGGP-PBHICJAKSA-N 0 3 304.434 3.691 20 30 DHEDHN C=CC[C@H](CC)N[C@H](C)c1ncc(Br)cc1F ZINC000281567840 1016607307 /nfs/dbraw/zinc/60/73/07/1016607307.db2.gz KGDRFWQLYYLTBJ-KOLCDFICSA-N 0 3 301.203 3.989 20 30 DHEDHN C=CC[C@@H](CC)N[C@@H](C)c1ncc(Br)cc1F ZINC000281567837 1016607323 /nfs/dbraw/zinc/60/73/23/1016607323.db2.gz KGDRFWQLYYLTBJ-GXSJLCMTSA-N 0 3 301.203 3.989 20 30 DHEDHN CCCNc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000281598890 1016611818 /nfs/dbraw/zinc/61/18/18/1016611818.db2.gz FRUIAQCMWQLIGL-UHFFFAOYSA-N 0 3 309.413 3.679 20 30 DHEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H](c3ccccc3)C2)nn1 ZINC000657446812 1016854643 /nfs/dbraw/zinc/85/46/43/1016854643.db2.gz MBISJGVBFGDHHK-QZTJIDSGSA-N 0 3 310.445 3.670 20 30 DHEDHN C[C@H](NCC#Cc1cccc(Cl)c1)[C@H]1COc2ccccc21 ZINC000185582625 1017024601 /nfs/dbraw/zinc/02/46/01/1017024601.db2.gz FBCMJTPNZMTQPQ-KBXCAEBGSA-N 0 3 311.812 3.846 20 30 DHEDHN COc1ccc(Cl)c2c1C[C@@H](N1CCC[C@@H](C#N)CC1)CC2 ZINC001171321991 1032366312 /nfs/dbraw/zinc/36/63/12/1032366312.db2.gz QGKRYMPHWRHDIP-KGLIPLIRSA-N 0 3 318.848 3.832 20 30 DHEDHN COc1ccc(Cl)c2c1C[C@H](N1CCC[C@H](C#N)CC1)CC2 ZINC001171321992 1032366875 /nfs/dbraw/zinc/36/68/75/1032366875.db2.gz QGKRYMPHWRHDIP-UONOGXRCSA-N 0 3 318.848 3.832 20 30 DHEDHN N#CCCN(C1CCCC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171379278 1032549887 /nfs/dbraw/zinc/54/98/87/1032549887.db2.gz CGDYLTIEXNLUKU-MRXNPFEDSA-N 0 3 304.384 3.980 20 30 DHEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)c2cn[nH]c2)cc1 ZINC000773104644 1032559639 /nfs/dbraw/zinc/55/96/39/1032559639.db2.gz FPPJMBNRMVXJLU-CHWSQXEVSA-N 0 3 305.809 3.953 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000773105510 1032561070 /nfs/dbraw/zinc/56/10/70/1032561070.db2.gz HMVXZKPQPQNWRL-IIBYNOLFSA-N 0 3 320.436 3.536 20 30 DHEDHN CC(C)[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CCS1 ZINC000093869171 1032562568 /nfs/dbraw/zinc/56/25/68/1032562568.db2.gz DVRQNKZUCDRBHX-SFHVURJKSA-N 0 3 318.486 3.943 20 30 DHEDHN C[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000049508667 1011957764 /nfs/dbraw/zinc/95/77/64/1011957764.db2.gz WKDAZPQGYSXYQN-PXAZEXFGSA-N 0 3 300.789 3.596 20 30 DHEDHN CCCCCCC/C=C/CN1CCN(CCCCOC)CC1 ZINC001208124688 1012132438 /nfs/dbraw/zinc/13/24/38/1012132438.db2.gz XVRNJJNAXXWEPG-MDZDMXLPSA-N 0 3 310.526 3.947 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc2c(c1)ncn2C ZINC000425365088 1012491787 /nfs/dbraw/zinc/49/17/87/1012491787.db2.gz IRPCRKJHIIVLHY-AWEZNQCLSA-N 0 3 304.397 3.638 20 30 DHEDHN COC(=O)c1cccc(CN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425367778 1012496261 /nfs/dbraw/zinc/49/62/61/1012496261.db2.gz UOAGIQSGEHLDIW-CQSZACIVSA-N 0 3 308.381 3.538 20 30 DHEDHN COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1C#N ZINC000425368621 1012499670 /nfs/dbraw/zinc/49/96/70/1012499670.db2.gz XENXRWBAOVFJSL-AWEZNQCLSA-N 0 3 305.381 3.632 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000425523740 1012723774 /nfs/dbraw/zinc/72/37/74/1012723774.db2.gz ZTDRNJZJADXKBP-KRWDZBQOSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCC[C@@H](NCC(=O)NCc1ccccc1)c1ccccc1 ZINC000178758092 1017189372 /nfs/dbraw/zinc/18/93/72/1017189372.db2.gz GHWDBCYIRQJNIS-LJQANCHMSA-N 0 3 308.425 3.600 20 30 DHEDHN C=C(C)[C@@H](N[C@@H]1CCCc2cn[nH]c21)c1ccc(F)c(F)c1 ZINC000857865611 1032697984 /nfs/dbraw/zinc/69/79/84/1032697984.db2.gz OLUVUJNBOXOQJV-HZPDHXFCSA-N 0 3 303.356 3.972 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C#N)cc2C)c1 ZINC000186081856 1017690134 /nfs/dbraw/zinc/69/01/34/1017690134.db2.gz PNFWMRZVPZTZBQ-CQSZACIVSA-N 0 3 307.397 3.676 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H](C)CC)CC1 ZINC000523433330 1017690728 /nfs/dbraw/zinc/69/07/28/1017690728.db2.gz NEFWYJDDSXVINW-FUHWJXTLSA-N 0 3 321.509 3.637 20 30 DHEDHN N#Cc1ccc(CNCCSCc2ccccc2)c(F)c1 ZINC000178781721 1018068198 /nfs/dbraw/zinc/06/81/98/1018068198.db2.gz VLUJDJDHAFASGT-UHFFFAOYSA-N 0 3 300.402 3.720 20 30 DHEDHN CN(C)Cc1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000172614866 1018072357 /nfs/dbraw/zinc/07/23/57/1018072357.db2.gz URDLHBXZWGNUPH-UHFFFAOYSA-N 0 3 321.424 3.802 20 30 DHEDHN N#Cc1cccc(OCCCN2CCc3ccc(F)cc3C2)c1 ZINC000441048714 1018165786 /nfs/dbraw/zinc/16/57/86/1018165786.db2.gz SONVAKBQQVZZSJ-UHFFFAOYSA-N 0 3 310.372 3.525 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000525121855 1018175233 /nfs/dbraw/zinc/17/52/33/1018175233.db2.gz HOMHNKYYQSUJBG-PKOBYXMFSA-N 0 3 314.473 3.537 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@H](CC(C)C)c2ccccc2)CC1 ZINC000525369511 1018265870 /nfs/dbraw/zinc/26/58/70/1018265870.db2.gz QEWUZYXUSWWXBI-LJQANCHMSA-N 0 3 314.473 3.583 20 30 DHEDHN CSc1ccc(OCCN(C)Cc2ccc(C#N)cc2)cc1 ZINC000441248701 1018378920 /nfs/dbraw/zinc/37/89/20/1018378920.db2.gz WFWYQPYMUDLDAQ-UHFFFAOYSA-N 0 3 312.438 3.791 20 30 DHEDHN CC[C@@H](C)N[C@@H](CNc1ncc(C#N)cc1Cl)c1ccco1 ZINC000343269760 1018527855 /nfs/dbraw/zinc/52/78/55/1018527855.db2.gz ZDKSQHHBTISDCD-RISCZKNCSA-N 0 3 318.808 3.741 20 30 DHEDHN COc1ccc([C@@H]2CCCN2CCC(C)(C)C#N)c(OC)c1 ZINC000157461386 1018636834 /nfs/dbraw/zinc/63/68/34/1018636834.db2.gz UJCXIOPVCBLVRM-INIZCTEOSA-N 0 3 302.418 3.781 20 30 DHEDHN CCCN(CCC#N)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168661679 1018756701 /nfs/dbraw/zinc/75/67/01/1018756701.db2.gz LELAZNQDAVMTJZ-FUHWJXTLSA-N 0 3 302.418 3.541 20 30 DHEDHN C#CCC1(NCc2cnc(NC(=O)OC(C)(C)C)s2)CCC1 ZINC000922998823 1018973010 /nfs/dbraw/zinc/97/30/10/1018973010.db2.gz ZEKSPFUAWITLSI-UHFFFAOYSA-N 0 3 321.446 3.526 20 30 DHEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCC(F)(F)C2)c1 ZINC000921853436 1018994182 /nfs/dbraw/zinc/99/41/82/1018994182.db2.gz ICVWCIFSQODNJE-LLVKDONJSA-N 0 3 315.161 3.598 20 30 DHEDHN CCSc1cc(CNCc2c(C)cc(C#N)cc2C)ccn1 ZINC000922017131 1019319637 /nfs/dbraw/zinc/31/96/37/1019319637.db2.gz FALLZZUGGQGIAZ-UHFFFAOYSA-N 0 3 311.454 3.972 20 30 DHEDHN N#CC(C(=O)Nc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000338623719 1019357508 /nfs/dbraw/zinc/35/75/08/1019357508.db2.gz CBXUGSMLVVMGEO-LBPRGKRZSA-N 0 3 311.341 3.681 20 30 DHEDHN CC[C@H]1CN(C)c2ccccc2CN1Cc1cc(C#N)cs1 ZINC000611285843 1019434276 /nfs/dbraw/zinc/43/42/76/1019434276.db2.gz BRCUIWXKCIXICK-INIZCTEOSA-N 0 3 311.454 3.850 20 30 DHEDHN C[C@@H]1Cc2cc(CNCc3ccc(C#N)c(Cl)c3)ccc2O1 ZINC000922108125 1019458091 /nfs/dbraw/zinc/45/80/91/1019458091.db2.gz CNDPMFOAHINONN-GFCCVEGCSA-N 0 3 312.800 3.825 20 30 DHEDHN C#CCCCCCCN(C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001171641433 1032838553 /nfs/dbraw/zinc/83/85/53/1032838553.db2.gz KBGAJSCRLLYJSS-UHFFFAOYSA-N 0 3 320.477 3.654 20 30 DHEDHN N#CCOc1ccc(Cl)cc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000750063316 1019631988 /nfs/dbraw/zinc/63/19/88/1019631988.db2.gz TWVAMZDGJRSNNE-ZIAGYGMSSA-N 0 3 304.821 3.864 20 30 DHEDHN C[C@@H]1CN(Cc2cncc(C#N)c2)CCc2ccc(Cl)cc21 ZINC001171719356 1032844810 /nfs/dbraw/zinc/84/48/10/1032844810.db2.gz RGNNJCNQBQTTOD-CYBMUJFWSA-N 0 3 311.816 3.768 20 30 DHEDHN CCN(C[C@H]1COc2ccccc2O1)[C@H](C)c1ccc(C#N)cc1 ZINC000255958279 1019678755 /nfs/dbraw/zinc/67/87/55/1019678755.db2.gz DOKPTRXWXMTEIU-QAPCUYQASA-N 0 3 322.408 3.781 20 30 DHEDHN N#Cc1ccccc1OCCN(Cc1cccc(F)c1)C1CC1 ZINC000060478793 1032866422 /nfs/dbraw/zinc/86/64/22/1032866422.db2.gz PCPDEJRVHOEPAA-UHFFFAOYSA-N 0 3 310.372 3.741 20 30 DHEDHN CN1CCCC[C@H]1c1ccc(NCCc2ccc(C#N)cc2)nc1 ZINC001167678595 1019955097 /nfs/dbraw/zinc/95/50/97/1019955097.db2.gz QAGRXNNYMIOTMH-IBGZPJMESA-N 0 3 320.440 3.765 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(F)(c2ccccn2)CC1 ZINC000347708333 1019996043 /nfs/dbraw/zinc/99/60/43/1019996043.db2.gz PKDJOURJKFCAMJ-HNNXBMFYSA-N 0 3 309.388 3.975 20 30 DHEDHN COc1c(C)cc(CN(C)Cc2ccc(OCC#N)cc2)cc1C ZINC000731212283 1020081563 /nfs/dbraw/zinc/08/15/63/1020081563.db2.gz CSUHGNWQGJAGBH-UHFFFAOYSA-N 0 3 324.424 3.846 20 30 DHEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000922538647 1020117988 /nfs/dbraw/zinc/11/79/88/1020117988.db2.gz UXCORXVYUFAHAJ-OAHLLOKOSA-N 0 3 324.380 3.848 20 30 DHEDHN CC(C)[C@@H](CO)N(Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000093530008 1020156592 /nfs/dbraw/zinc/15/65/92/1020156592.db2.gz ZLZBZMJBZHHMEF-GOSISDBHSA-N 0 3 314.454 3.639 20 30 DHEDHN CC(C)[C@H](CO)N(Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000093530009 1020157625 /nfs/dbraw/zinc/15/76/25/1020157625.db2.gz ZLZBZMJBZHHMEF-SFHVURJKSA-N 0 3 314.454 3.639 20 30 DHEDHN N#Cc1ccc(CCNc2ccc(F)c(CN3CCCC3)c2)cc1 ZINC001167682916 1020225906 /nfs/dbraw/zinc/22/59/06/1020225906.db2.gz ZGEDVRQTGYEGMH-UHFFFAOYSA-N 0 3 323.415 3.948 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000922702288 1020227018 /nfs/dbraw/zinc/22/70/18/1020227018.db2.gz JQRKFBPGDFYQCE-GJZGRUSLSA-N 0 3 322.408 3.591 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)cc1C)c1ccc2c(c1)OCCO2 ZINC000186320484 1020236052 /nfs/dbraw/zinc/23/60/52/1020236052.db2.gz FBFOMMZWEVOFGY-GOSISDBHSA-N 0 3 322.408 3.879 20 30 DHEDHN CCCCCCC[C@@H](C)CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000732449142 1020241604 /nfs/dbraw/zinc/24/16/04/1020241604.db2.gz JAYPHEQGHRGGMD-SJLPKXTDSA-N 0 3 323.525 3.861 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000330906021 1020247255 /nfs/dbraw/zinc/24/72/55/1020247255.db2.gz BFZHHCVIOJXWSV-WMLDXEAASA-N 0 3 314.429 3.673 20 30 DHEDHN Cc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1C#N ZINC000922762583 1020255486 /nfs/dbraw/zinc/25/54/86/1020255486.db2.gz ORIIOWCWNGRGLS-UHFFFAOYSA-N 0 3 318.424 3.506 20 30 DHEDHN CC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000131567377 1020289121 /nfs/dbraw/zinc/28/91/21/1020289121.db2.gz PEODGIJLMAHURF-HEHGZKQESA-N 0 3 300.402 3.894 20 30 DHEDHN N#CCOc1ccc(CN2CCC[C@@H](Oc3ccccc3)C2)cc1 ZINC000733313395 1020364151 /nfs/dbraw/zinc/36/41/51/1020364151.db2.gz QOWCGLRIQOIOGH-HXUWFJFHSA-N 0 3 322.408 3.632 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2cscc2C(F)F)nc(C)n1 ZINC000892475545 1020428307 /nfs/dbraw/zinc/42/83/07/1020428307.db2.gz KDYCQIZCJRUUHM-SECBINFHSA-N 0 3 307.325 3.583 20 30 DHEDHN N#Cc1ccc([C@H](O)CNC2(c3cccc(Cl)c3)CC2)cc1 ZINC000179679509 1020429349 /nfs/dbraw/zinc/42/93/49/1020429349.db2.gz GZLAEBQORQTQRD-QGZVFWFLSA-N 0 3 312.800 3.524 20 30 DHEDHN COc1cc(CN(CCC(F)(F)F)CC2CC2)ccc1C#N ZINC000282290759 1020435436 /nfs/dbraw/zinc/43/54/36/1020435436.db2.gz LRNBLPFOULASEL-UHFFFAOYSA-N 0 3 312.335 3.731 20 30 DHEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000892489310 1020524637 /nfs/dbraw/zinc/52/46/37/1020524637.db2.gz HPONSHBOSMZHEB-NSHDSACASA-N 0 3 304.777 3.590 20 30 DHEDHN C#CCOc1ccccc1CNC/C=C\c1ccccc1OC ZINC000734159289 1020570046 /nfs/dbraw/zinc/57/00/46/1020570046.db2.gz KXPJNSDNUWKWKF-FLIBITNWSA-N 0 3 307.393 3.510 20 30 DHEDHN CC(C)c1nccn1C[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC000359865320 1020574209 /nfs/dbraw/zinc/57/42/09/1020574209.db2.gz DJQZDJGYNFSXAC-AWEZNQCLSA-N 0 3 314.458 3.604 20 30 DHEDHN CCCCCCC[C@H](C)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000734269354 1020579924 /nfs/dbraw/zinc/57/99/24/1020579924.db2.gz IBNVLDTVKSWUCG-JKSUJKDBSA-N 0 3 309.498 3.519 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000337213875 1032920458 /nfs/dbraw/zinc/92/04/58/1032920458.db2.gz DOKGTOFHHFSFBH-GJZGRUSLSA-N 0 3 318.486 3.648 20 30 DHEDHN COC(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1C ZINC000892521196 1020800057 /nfs/dbraw/zinc/80/00/57/1020800057.db2.gz MIKHEJSBZPWUPI-AWEZNQCLSA-N 0 3 308.381 3.504 20 30 DHEDHN COc1ccc2cc(CNCC#Cc3ccccc3)ccc2c1 ZINC000736355698 1020810388 /nfs/dbraw/zinc/81/03/88/1020810388.db2.gz UGACGLMUJAJNRS-UHFFFAOYSA-N 0 3 301.389 3.990 20 30 DHEDHN COCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCCC1 ZINC000177852143 1020823430 /nfs/dbraw/zinc/82/34/30/1020823430.db2.gz SEKPVTQLMJIWAM-ZDUSSCGKSA-N 0 3 312.369 3.601 20 30 DHEDHN CC[C@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000738252763 1020870520 /nfs/dbraw/zinc/87/05/20/1020870520.db2.gz AWSXASOLQWZTPE-INIZCTEOSA-N 0 3 308.429 3.891 20 30 DHEDHN N#Cc1ccc(-c2cccc(CNCc3cccnc3)c2)s1 ZINC000740011617 1020921895 /nfs/dbraw/zinc/92/18/95/1020921895.db2.gz ORABIIJSCYPJPC-UHFFFAOYSA-N 0 3 305.406 3.972 20 30 DHEDHN C=C[C@@H](COC)N[C@H](C)c1cc(C)c(Br)s1 ZINC000309414878 1020990850 /nfs/dbraw/zinc/99/08/50/1020990850.db2.gz CJMUOPBZJFVDQB-ZJUUUORDSA-N 0 3 304.253 3.671 20 30 DHEDHN C[C@H]1Cc2cc(C(=O)C(C#N)c3nc(C4CC4)cs3)ccc2O1 ZINC000659116534 1021178371 /nfs/dbraw/zinc/17/83/71/1021178371.db2.gz ZZMUBIWOTHIGOC-HZMBPMFUSA-N 0 3 324.405 3.834 20 30 DHEDHN CCN(CC)c1ccc(C=NNCc2ccc(OC)cc2)cc1 ZINC000917547646 1021291659 /nfs/dbraw/zinc/29/16/59/1021291659.db2.gz WZIJGWYRBFFSRB-UHFFFAOYSA-N 0 3 311.429 3.665 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000743495686 1021310836 /nfs/dbraw/zinc/31/08/36/1021310836.db2.gz HSRQWWAPKLDSOE-INIZCTEOSA-N 0 3 304.393 3.811 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1 ZINC001202475052 1021352356 /nfs/dbraw/zinc/35/23/56/1021352356.db2.gz NXSFBTMKLKQMFJ-UHFFFAOYSA-N 0 3 305.299 3.856 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)c2ccc(C)o2)cc1 ZINC000744028139 1021405817 /nfs/dbraw/zinc/40/58/17/1021405817.db2.gz HGILXHACUSMWDJ-CJNGLKHVSA-N 0 3 324.380 3.602 20 30 DHEDHN C=CCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589344218 1021423234 /nfs/dbraw/zinc/42/32/34/1021423234.db2.gz OAMXRMPTRHYMPK-FQEVSTJZSA-N 0 3 304.393 3.900 20 30 DHEDHN CCN(C)c1ccccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000850127785 1021423484 /nfs/dbraw/zinc/42/34/84/1021423484.db2.gz ZPJGQHIYDJAZKU-UHFFFAOYSA-N 0 3 319.452 3.988 20 30 DHEDHN CC[C@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000618571465 1021427995 /nfs/dbraw/zinc/42/79/95/1021427995.db2.gz SWYJOQJARWUSLD-HNNXBMFYSA-N 0 3 322.334 3.558 20 30 DHEDHN COCCN(Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccccc1 ZINC000264568752 1032981264 /nfs/dbraw/zinc/98/12/64/1032981264.db2.gz QOSUYJIMVFSENS-KRWDZBQOSA-N 0 3 324.424 3.799 20 30 DHEDHN C=CCN(CCc1ccccc1)C[C@@H](O)c1cc(F)ccc1F ZINC000744211490 1021469670 /nfs/dbraw/zinc/46/96/70/1021469670.db2.gz SZNUMINWSWDNNT-LJQANCHMSA-N 0 3 317.379 3.729 20 30 DHEDHN COc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1C ZINC000850417298 1021521147 /nfs/dbraw/zinc/52/11/47/1021521147.db2.gz ZOOMJIWUKGHHLX-CQSZACIVSA-N 0 3 310.397 3.584 20 30 DHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000618806208 1021530792 /nfs/dbraw/zinc/53/07/92/1021530792.db2.gz OXKLRHYDMAFBLN-SGTLLEGYSA-N 0 3 307.353 3.805 20 30 DHEDHN COc1cccc2c1CC[C@@H]2N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618803376 1021530888 /nfs/dbraw/zinc/53/08/88/1021530888.db2.gz WAKUNANHNITUNL-MOPGFXCFSA-N 0 3 304.393 3.831 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000618801922 1021532465 /nfs/dbraw/zinc/53/24/65/1021532465.db2.gz BSINAKJTFGUXTL-FZKQIMNGSA-N 0 3 320.392 3.668 20 30 DHEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@]1(C)CCCO1 ZINC000556119046 1021543107 /nfs/dbraw/zinc/54/31/07/1021543107.db2.gz ZMPZCBRSUBZNPV-CJNGLKHVSA-N 0 3 311.347 3.604 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCc3ccc(O)cc32)cc1 ZINC000850544067 1021595474 /nfs/dbraw/zinc/59/54/74/1021595474.db2.gz SWZQVQZZJPETCK-VBKZILBWSA-N 0 3 307.393 3.742 20 30 DHEDHN C[C@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(OCC#N)cc1 ZINC000850543253 1021596195 /nfs/dbraw/zinc/59/61/95/1021596195.db2.gz GVFYTKBPIZTWNW-ORAYPTAESA-N 0 3 308.381 3.633 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC2(CC2)CC1 ZINC000850738011 1021632623 /nfs/dbraw/zinc/63/26/23/1021632623.db2.gz BDPPRCWLOBPTQQ-AWEZNQCLSA-N 0 3 307.397 3.720 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@H](COCC)C2)cc1Cl ZINC000093838648 1021686248 /nfs/dbraw/zinc/68/62/48/1021686248.db2.gz QWIWDQKEBVXNGC-OAHLLOKOSA-N 0 3 309.837 3.763 20 30 DHEDHN C[C@@H]1CCCC[C@@H]1N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173190480 1021752140 /nfs/dbraw/zinc/75/21/40/1021752140.db2.gz BCWFBIQWDTYGQV-CJNGLKHVSA-N 0 3 310.401 3.619 20 30 DHEDHN CCCCCCC[C@@H](C)CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000745704549 1021769458 /nfs/dbraw/zinc/76/94/58/1021769458.db2.gz KOCKNDRDIVNOKY-QZTJIDSGSA-N 0 3 321.509 3.639 20 30 DHEDHN N#CCCOCCN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000339014970 1033010714 /nfs/dbraw/zinc/01/07/14/1033010714.db2.gz OBHIEQHUYYJGDI-UHFFFAOYSA-N 0 3 308.372 3.640 20 30 DHEDHN COc1cccc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000728712070 1021865936 /nfs/dbraw/zinc/86/59/36/1021865936.db2.gz XPVFTHWWBPOOIL-CABCVRRESA-N 0 3 310.397 3.837 20 30 DHEDHN COc1cccc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000728712074 1021866235 /nfs/dbraw/zinc/86/62/35/1021866235.db2.gz XPVFTHWWBPOOIL-HUUCEWRRSA-N 0 3 310.397 3.837 20 30 DHEDHN C[C@@H](NCc1ccc(-c2cnn(C)c2)s1)c1cccc(C#N)c1 ZINC000619747693 1021881981 /nfs/dbraw/zinc/88/19/81/1021881981.db2.gz VLYFOZHKZOBPTL-CYBMUJFWSA-N 0 3 322.437 3.871 20 30 DHEDHN CCOc1cccc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748263 1021886300 /nfs/dbraw/zinc/88/63/00/1021886300.db2.gz FHFGCMADVKPFKE-UHFFFAOYSA-N 0 3 300.789 3.900 20 30 DHEDHN N#CCCOCCN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000338939319 1021936916 /nfs/dbraw/zinc/93/69/16/1021936916.db2.gz SHNKFSWNCBBTLD-UHFFFAOYSA-N 0 3 312.388 3.758 20 30 DHEDHN C=CCOc1ccc(OC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000746326791 1021979408 /nfs/dbraw/zinc/97/94/08/1021979408.db2.gz YXISNGWGRFUCQK-UHFFFAOYSA-N 0 3 311.381 3.532 20 30 DHEDHN C=CCC[C@@H](NCC(=O)NCCC(C)(C)C)c1ccccc1 ZINC000538259334 1033020700 /nfs/dbraw/zinc/02/07/00/1033020700.db2.gz FKPJINIJMVZHHE-QGZVFWFLSA-N 0 3 302.462 3.836 20 30 DHEDHN CC[C@@H](/[NH+]=C\c1ccc(N(CC)CC)cc1[O-])C1CCOCC1 ZINC000746393882 1022058666 /nfs/dbraw/zinc/05/86/66/1022058666.db2.gz LXFMRSYRUATEDW-WRDGEJPTSA-N 0 3 318.461 3.863 20 30 DHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cnn(C2CCCC2)c1 ZINC000337491657 1033026809 /nfs/dbraw/zinc/02/68/09/1033026809.db2.gz WPBVDKNYYHFZKF-HNNXBMFYSA-N 0 3 324.428 3.599 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000766349818 1022062490 /nfs/dbraw/zinc/06/24/90/1022062490.db2.gz IMAFYHPIIGQCNB-JKSUJKDBSA-N 0 3 304.393 3.982 20 30 DHEDHN C=CC[C@H]1CCCC[C@H]1NCc1cn(Cc2ccccc2)nn1 ZINC000852303479 1022102539 /nfs/dbraw/zinc/10/25/39/1022102539.db2.gz QIKFYOQDXZSBHX-PKOBYXMFSA-N 0 3 310.445 3.551 20 30 DHEDHN C=CCN(Cc1cc(Cl)nc2ccccc12)[C@@H](C)COC ZINC000852357271 1022113148 /nfs/dbraw/zinc/11/31/48/1022113148.db2.gz ZLSMLRVSADNGSH-ZDUSSCGKSA-N 0 3 304.821 3.911 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1ccccc1Br ZINC000852685934 1022159725 /nfs/dbraw/zinc/15/97/25/1022159725.db2.gz MYNZTZPCLBLZKH-ZENOOKHLSA-N 0 3 322.246 3.666 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccccc2OC)c([O-])c1 ZINC000920943325 1022192260 /nfs/dbraw/zinc/19/22/60/1022192260.db2.gz VDIGAMCORKGSPF-MOSHPQCFSA-N 0 3 312.413 3.866 20 30 DHEDHN C=CCC1(NC(=O)c2cccc(CN3CCCC3)c2)CCCC1 ZINC000619104140 1022252216 /nfs/dbraw/zinc/25/22/16/1022252216.db2.gz JMDZTBKLXHHRNW-UHFFFAOYSA-N 0 3 312.457 3.901 20 30 DHEDHN N#Cc1cc(CNC[C@@H](c2ccco2)N2CCCCC2)cs1 ZINC000921478609 1022267248 /nfs/dbraw/zinc/26/72/48/1022267248.db2.gz NXIJFEVBWJYQTQ-INIZCTEOSA-N 0 3 315.442 3.530 20 30 DHEDHN CC(C)c1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000538370388 1033042627 /nfs/dbraw/zinc/04/26/27/1033042627.db2.gz OXSFBYSWAUSTIL-UHFFFAOYSA-N 0 3 304.397 3.619 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](C)CC ZINC000154475563 1022299271 /nfs/dbraw/zinc/29/92/71/1022299271.db2.gz HISUTOWHRWMTOS-OAHLLOKOSA-N 0 3 322.522 3.631 20 30 DHEDHN N#CCCCN1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854107032 1022406045 /nfs/dbraw/zinc/40/60/45/1022406045.db2.gz SOJANXUUUXOKBH-UHFFFAOYSA-N 0 3 324.403 3.766 20 30 DHEDHN C=C(Cl)CN(CCCOc1ccccc1)C1CCOCC1 ZINC000766929530 1022610227 /nfs/dbraw/zinc/61/02/27/1022610227.db2.gz FIDKWCXEBZZSGT-UHFFFAOYSA-N 0 3 309.837 3.689 20 30 DHEDHN CC[C@H](C#N)Oc1cc(CNCc2ccccc2C)ccc1OC ZINC000113347924 1022636142 /nfs/dbraw/zinc/63/61/42/1022636142.db2.gz NYXVUNWNGZVBBK-GOSISDBHSA-N 0 3 324.424 3.974 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(OCC)c2)cc1 ZINC000113330652 1022636217 /nfs/dbraw/zinc/63/62/17/1022636217.db2.gz GYFQUYJBLJQUMX-INIZCTEOSA-N 0 3 309.409 3.948 20 30 DHEDHN Cc1cc(CNCc2ccc3c(c2)CCCN3C)ccc1C#N ZINC000767693995 1022771782 /nfs/dbraw/zinc/77/17/82/1022771782.db2.gz SSJWWISGUBNVTL-UHFFFAOYSA-N 0 3 305.425 3.539 20 30 DHEDHN C=CCSc1ccccc1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617008905 1022807664 /nfs/dbraw/zinc/80/76/64/1022807664.db2.gz OFDJEBMVEUYFFW-AWEZNQCLSA-N 0 3 318.486 3.567 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000768003583 1022857963 /nfs/dbraw/zinc/85/79/63/1022857963.db2.gz PWRYDRGQXMSVIS-HNNXBMFYSA-N 0 3 305.418 3.637 20 30 DHEDHN Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1C#N ZINC000859164212 1033088483 /nfs/dbraw/zinc/08/84/83/1033088483.db2.gz WJINFHPKGPWMNM-ZWKOTPCHSA-N 0 3 310.397 3.548 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000925644005 1022935549 /nfs/dbraw/zinc/93/55/49/1022935549.db2.gz LKVXSQSNVBIULU-FZMZJTMJSA-N 0 3 314.351 3.657 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CC(C)(c3ccccc3)C2)cc1 ZINC000857058579 1022938271 /nfs/dbraw/zinc/93/82/71/1022938271.db2.gz QSISPZMNDYQEES-UHFFFAOYSA-N 0 3 319.452 3.810 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000876571559 1033094066 /nfs/dbraw/zinc/09/40/66/1033094066.db2.gz MNZOVZNWQPILRL-UONOGXRCSA-N 0 3 315.244 3.623 20 30 DHEDHN N#CC1(CNC2CCN(Cc3ccccc3Cl)CC2)CCC1 ZINC000418144021 1022974014 /nfs/dbraw/zinc/97/40/14/1022974014.db2.gz RZSKYCZJGYRNQM-UHFFFAOYSA-N 0 3 317.864 3.588 20 30 DHEDHN C=CCN(Cc1cnn(Cc2ccccc2Cl)c1)C(C)C ZINC000768547799 1022993032 /nfs/dbraw/zinc/99/30/32/1022993032.db2.gz PLPUJLAFECXCQZ-UHFFFAOYSA-N 0 3 303.837 3.981 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)NC(C)(C)C(=O)c1ccccc1 ZINC001172289383 1033095882 /nfs/dbraw/zinc/09/58/82/1033095882.db2.gz CRMBMQPAQCWTCG-OAHLLOKOSA-N 0 3 306.409 3.740 20 30 DHEDHN CN(Cc1cccc(C#N)c1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000025477608 1023048430 /nfs/dbraw/zinc/04/84/30/1023048430.db2.gz WAUBKPCBADAKOF-UHFFFAOYSA-N 0 3 324.424 3.899 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1c(F)cc(F)cc1F ZINC001172296556 1033101144 /nfs/dbraw/zinc/10/11/44/1033101144.db2.gz BCVRGKUYFLYJDY-NSHDSACASA-N 0 3 304.315 3.696 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@H](c1ncccc1F)C1CC1 ZINC001172298828 1033104367 /nfs/dbraw/zinc/10/43/67/1033104367.db2.gz BJNYNHIFXDMZEW-ACJLOTCBSA-N 0 3 309.388 3.764 20 30 DHEDHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C[C@@H](O)c1ccc(C#N)cc1 ZINC000769953040 1023244720 /nfs/dbraw/zinc/24/47/20/1023244720.db2.gz JJFVCKOJRZFFBZ-ARGWCVDVSA-N 0 3 324.399 3.739 20 30 DHEDHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C[C@H](O)c1ccc(C#N)cc1 ZINC000769953047 1023245057 /nfs/dbraw/zinc/24/50/57/1023245057.db2.gz JJFVCKOJRZFFBZ-JZKQVHKSSA-N 0 3 324.399 3.739 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C ZINC000876686353 1033122725 /nfs/dbraw/zinc/12/27/25/1033122725.db2.gz VOTFQHVNPMEVII-DLBZAZTESA-N 0 3 320.864 3.827 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000876698310 1033125829 /nfs/dbraw/zinc/12/58/29/1033125829.db2.gz OFFPIDHTWAQCBX-CVEARBPZSA-N 0 3 324.827 3.643 20 30 DHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C2CC2)n1C1CC1 ZINC000661115171 1023483720 /nfs/dbraw/zinc/48/37/20/1023483720.db2.gz PYYZHFDXWTWMLW-XJKSGUPXSA-N 0 3 300.450 3.715 20 30 DHEDHN COc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000594494413 1023590077 /nfs/dbraw/zinc/59/00/77/1023590077.db2.gz FTZNZROWHRHNFE-UHFFFAOYSA-N 0 3 312.388 3.925 20 30 DHEDHN C=CCCCCCN1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000785722570 1023610018 /nfs/dbraw/zinc/61/00/18/1023610018.db2.gz WFFQRMMPTOLMTR-SFHVURJKSA-N 0 3 316.445 3.845 20 30 DHEDHN C=CCCN(C)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000786447160 1023696427 /nfs/dbraw/zinc/69/64/27/1023696427.db2.gz UAGHSCAECJNHNH-MRXNPFEDSA-N 0 3 315.461 3.512 20 30 DHEDHN CN(C)c1ccccc1CN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597133527 1023766170 /nfs/dbraw/zinc/76/61/70/1023766170.db2.gz VFMWTZXMDYPCPG-UHFFFAOYSA-N 0 3 319.452 3.940 20 30 DHEDHN Clc1cccc(C#CCN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000661874103 1023791720 /nfs/dbraw/zinc/79/17/20/1023791720.db2.gz IFZFMIGZQXEBPN-IEBWSBKVSA-N 0 3 317.860 3.973 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000662086479 1023895996 /nfs/dbraw/zinc/89/59/96/1023895996.db2.gz UBFFTBWYMLWPDT-OAGGEKHMSA-N 0 3 321.424 3.745 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)ccc1NCCC ZINC000876874314 1033173718 /nfs/dbraw/zinc/17/37/18/1033173718.db2.gz DOGQANSUENRVNY-NSHDSACASA-N 0 3 316.232 3.570 20 30 DHEDHN C#CCN1CCC(C(=O)N[C@H](CCCC=C)c2ccccc2)CC1 ZINC000882234868 1024003267 /nfs/dbraw/zinc/00/32/67/1024003267.db2.gz ZKZJQWVYTOTXGF-HXUWFJFHSA-N 0 3 324.468 3.545 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CC)c(C)c2)CC1 ZINC000538772716 1033179838 /nfs/dbraw/zinc/17/98/38/1033179838.db2.gz JTDFIMYQJLCLSL-UHFFFAOYSA-N 0 3 315.461 3.719 20 30 DHEDHN Cn1cccc1[C@H]1CCCCN1Cc1ccc(OCC#N)cc1 ZINC000266930435 1024046418 /nfs/dbraw/zinc/04/64/18/1024046418.db2.gz LYMQFQIAVUGQKG-LJQANCHMSA-N 0 3 309.413 3.655 20 30 DHEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268637197 1024134238 /nfs/dbraw/zinc/13/42/38/1024134238.db2.gz RKRHTBMVIFXOMM-SGTLLEGYSA-N 0 3 316.351 3.563 20 30 DHEDHN C#CCC1(O)CCN(c2ccnc3ccc(CCC)cc32)CC1 ZINC000882968591 1024189018 /nfs/dbraw/zinc/18/90/18/1024189018.db2.gz SMIOZTIQQCCTCT-UHFFFAOYSA-N 0 3 308.425 3.542 20 30 DHEDHN N#Cc1ccc(CNCc2cccc3c2CCOC3)cc1Cl ZINC000883112486 1024244872 /nfs/dbraw/zinc/24/48/72/1024244872.db2.gz NNKAXURXRXWIMP-UHFFFAOYSA-N 0 3 312.800 3.574 20 30 DHEDHN C=CCC[C@@H](COc1ccccc1)NCc1c(C)noc1C ZINC000883177194 1024271789 /nfs/dbraw/zinc/27/17/89/1024271789.db2.gz VNBBCVFYTXZPIN-INIZCTEOSA-N 0 3 300.402 3.795 20 30 DHEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)c1cccc(F)c1 ZINC000876988330 1033198887 /nfs/dbraw/zinc/19/88/87/1033198887.db2.gz ZAAXHNQSADKZJK-NSHDSACASA-N 0 3 303.768 3.639 20 30 DHEDHN C=CCCC[C@H](NCc1ccc(C)n(C)c1=O)c1ccccc1 ZINC000883219702 1024297605 /nfs/dbraw/zinc/29/76/05/1024297605.db2.gz YANFEFCVAYWIPI-IBGZPJMESA-N 0 3 310.441 3.881 20 30 DHEDHN C=CCC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)[C@@H]1Cc2ccccc2O1 ZINC000883226940 1024303226 /nfs/dbraw/zinc/30/32/26/1024303226.db2.gz IIJKQDJUAOYXAQ-RMRDIRSESA-N 0 3 323.440 3.817 20 30 DHEDHN C=CCCC[C@H](NCc1cnc2cnccn12)c1ccccc1 ZINC000883325061 1024379059 /nfs/dbraw/zinc/37/90/59/1024379059.db2.gz NLQRVRACZMCRAQ-SFHVURJKSA-N 0 3 306.413 3.917 20 30 DHEDHN C[C@@H](CC(=O)Nc1ccccc1)NC1(c2cccc(C#N)c2)CC1 ZINC000271293018 1024482833 /nfs/dbraw/zinc/48/28/33/1024482833.db2.gz NCGWLGSBJXHCCS-HNNXBMFYSA-N 0 3 319.408 3.554 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1F)N1CCC[C@@]2(CCSC2)C1 ZINC000453378225 1024497546 /nfs/dbraw/zinc/49/75/46/1024497546.db2.gz VVQOQNKVHOWHPY-CXAGYDPISA-N 0 3 304.434 3.977 20 30 DHEDHN C[C@H](NCC(C)(C)CCC#N)c1ncc(Br)s1 ZINC000348249125 1024568035 /nfs/dbraw/zinc/56/80/35/1024568035.db2.gz XVULLMMGECPLKK-VIFPVBQESA-N 0 3 316.268 3.886 20 30 DHEDHN CN(Cc1ccc(Br)c(F)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000339126667 1024569645 /nfs/dbraw/zinc/56/96/45/1024569645.db2.gz SVVGVJHLGDYZQQ-CMPLNLGQSA-N 0 3 311.198 3.712 20 30 DHEDHN CCCCCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000759956613 1024607889 /nfs/dbraw/zinc/60/78/89/1024607889.db2.gz KRXHTAXZROABFV-IEBWSBKVSA-N 0 3 302.462 3.909 20 30 DHEDHN COCc1cccc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000194166802 1024613705 /nfs/dbraw/zinc/61/37/05/1024613705.db2.gz KBFQAYYKBXKUTQ-OAHLLOKOSA-N 0 3 310.397 3.586 20 30 DHEDHN N#CC(C(=O)CCCc1ccccn1)c1nccc2ccccc21 ZINC000792093268 1024629642 /nfs/dbraw/zinc/62/96/42/1024629642.db2.gz WHOCFVYXODZXOE-GOSISDBHSA-N 0 3 315.376 3.829 20 30 DHEDHN N#CC(C(=O)CC1CCSCC1)c1nccc2ccccc21 ZINC000792098517 1024630916 /nfs/dbraw/zinc/63/09/16/1024630916.db2.gz BYKASSUPAOQBKP-MRXNPFEDSA-N 0 3 310.422 3.944 20 30 DHEDHN CCN(Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)c(F)c1 ZINC000792201261 1024648692 /nfs/dbraw/zinc/64/86/92/1024648692.db2.gz AEOCCGFZVKSMEH-UHFFFAOYSA-N 0 3 311.404 3.785 20 30 DHEDHN O[C@H](c1ccccc1)[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000792246995 1024653405 /nfs/dbraw/zinc/65/34/05/1024653405.db2.gz UADJVUXKFZFQNX-NHCUHLMSSA-N 0 3 305.421 3.626 20 30 DHEDHN C[C@H](Cc1ccc(Cl)cc1)NC(=N)c1ccc(Cl)cn1 ZINC001168156901 1024707904 /nfs/dbraw/zinc/70/79/04/1024707904.db2.gz WOZAPCMAIXFHCH-SNVBAGLBSA-N 0 3 308.212 3.725 20 30 DHEDHN CCOc1cc2c(cc1OCC)CN([C@@H](C)CCCC#N)CC2 ZINC001172498100 1033229996 /nfs/dbraw/zinc/22/99/96/1033229996.db2.gz IUPVFLLVZARBBK-HNNXBMFYSA-N 0 3 316.445 3.924 20 30 DHEDHN CCS[C@@H]1CCC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877082747 1033233345 /nfs/dbraw/zinc/23/33/45/1033233345.db2.gz BONOGZDZZVMCOV-ZIAGYGMSSA-N 0 3 309.866 3.761 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N2CCOC[C@@H]2C2CC2)CC1 ZINC001170395480 1024762797 /nfs/dbraw/zinc/76/27/97/1024762797.db2.gz MFYTWYCTWXIJCL-IOJLRTSASA-N 0 3 310.441 3.501 20 30 DHEDHN COc1cccc([C@H]2CSCCN2[C@@H](C)CCCC#N)c1 ZINC001172509659 1033238568 /nfs/dbraw/zinc/23/85/68/1033238568.db2.gz NJJIPURCQSMHEU-WMLDXEAASA-N 0 3 304.459 3.867 20 30 DHEDHN Cc1ccc(-c2ccccc2NC(=O)[C@H](N)CCCC#N)s1 ZINC000877134087 1033252083 /nfs/dbraw/zinc/25/20/83/1033252083.db2.gz MJXXHBGGFINXMZ-CQSZACIVSA-N 0 3 313.426 3.683 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc3nccc(C)c3c2)n1 ZINC000353415423 1025059567 /nfs/dbraw/zinc/05/95/67/1025059567.db2.gz ICUPKTQYXPLUNY-CQSZACIVSA-N 0 3 307.378 3.798 20 30 DHEDHN COc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000121021961 1025068474 /nfs/dbraw/zinc/06/84/74/1025068474.db2.gz NPBCLZMZUMPLLG-MRXNPFEDSA-N 0 3 322.408 3.565 20 30 DHEDHN N#Cc1ccccc1CN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134786229 1025131465 /nfs/dbraw/zinc/13/14/65/1025131465.db2.gz MWWXIDDRBLMSCP-UXHICEINSA-N 0 3 324.399 3.785 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1cccc(OC)c1 ZINC000353632791 1025167613 /nfs/dbraw/zinc/16/76/13/1025167613.db2.gz UWDJQGNYZDPCGI-SFHVURJKSA-N 0 3 310.397 3.816 20 30 DHEDHN C[C@@H](c1ccccc1Cl)N(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885960856 1025420166 /nfs/dbraw/zinc/42/01/66/1025420166.db2.gz QQCOVOIVBDCYGO-KBPBESRZSA-N 0 3 306.837 3.778 20 30 DHEDHN N#CC(C(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccncn1 ZINC000354472352 1025437958 /nfs/dbraw/zinc/43/79/58/1025437958.db2.gz OTXZBZHGCYJKMS-GOSISDBHSA-N 0 3 311.344 3.538 20 30 DHEDHN C=C(CNC(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000348511771 1025473720 /nfs/dbraw/zinc/47/37/20/1025473720.db2.gz KMTLJDNADOQLMU-UHFFFAOYSA-N 0 3 309.413 3.583 20 30 DHEDHN C=C(CCC(=O)N1CC2(C1)CN(C1CCCC1)C2)c1ccccc1 ZINC001275351872 1025482520 /nfs/dbraw/zinc/48/25/20/1025482520.db2.gz YOSUALFZHPIALO-UHFFFAOYSA-N 0 3 324.468 3.567 20 30 DHEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000125964396 1025497381 /nfs/dbraw/zinc/49/73/81/1025497381.db2.gz NYXCPVJBANPHQQ-LSDHHAIUSA-N 0 3 306.475 3.698 20 30 DHEDHN CCC[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1ccc(F)cc1F ZINC000886111384 1025511074 /nfs/dbraw/zinc/51/10/74/1025511074.db2.gz AIXFHXYGPHZUPP-RHSMWYFYSA-N 0 3 322.399 3.840 20 30 DHEDHN C#CC[C@H]1CCN([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000886355854 1025603884 /nfs/dbraw/zinc/60/38/84/1025603884.db2.gz OTKFJXDKIHVLLI-KBPBESRZSA-N 0 3 313.376 3.590 20 30 DHEDHN C#CC[C@@H]1CCN([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000886359326 1025603949 /nfs/dbraw/zinc/60/39/49/1025603949.db2.gz ARFQHAPSQQDMJK-JKSUJKDBSA-N 0 3 309.413 3.760 20 30 DHEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000886355438 1025603992 /nfs/dbraw/zinc/60/39/92/1025603992.db2.gz IQZNACRBLLOARO-IRXDYDNUSA-N 0 3 312.457 3.791 20 30 DHEDHN N#CC(C(=O)c1ccnc2ccncc21)c1nccc2ccccc21 ZINC000355405427 1025711800 /nfs/dbraw/zinc/71/18/00/1025711800.db2.gz XYRWSVZZWVDDRA-MRXNPFEDSA-N 0 3 324.343 3.668 20 30 DHEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573493645 1025719941 /nfs/dbraw/zinc/71/99/41/1025719941.db2.gz FCYPUCBPJDXEFO-RDTXWAMCSA-N 0 3 321.380 3.844 20 30 DHEDHN Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)c2c(n1)CCCC2 ZINC000894102553 1025789320 /nfs/dbraw/zinc/78/93/20/1025789320.db2.gz OQBBIMPVGXWRKU-HXUWFJFHSA-N 0 3 317.436 3.918 20 30 DHEDHN CSc1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)cc1C#N ZINC000886692472 1025798407 /nfs/dbraw/zinc/79/84/07/1025798407.db2.gz ZKUDJMOVSIYVMK-QGZVFWFLSA-N 0 3 314.458 3.501 20 30 DHEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCCc2c1cnn2C ZINC000135605846 1025849971 /nfs/dbraw/zinc/84/99/71/1025849971.db2.gz DHDNUYKVVYZXTD-SFHVURJKSA-N 0 3 322.456 3.731 20 30 DHEDHN C=CCC[C@H](NCCC(=O)NCc1ccccc1)c1ccco1 ZINC000356072143 1025939135 /nfs/dbraw/zinc/93/91/35/1025939135.db2.gz ZXGIYLPLQBSNNM-KRWDZBQOSA-N 0 3 312.413 3.583 20 30 DHEDHN N#Cc1ccc(CNCc2ccc(F)c(Br)c2)cc1 ZINC000037505857 1025947662 /nfs/dbraw/zinc/94/76/62/1025947662.db2.gz CCRLUWROJDJVGW-UHFFFAOYSA-N 0 3 319.177 3.750 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000356108368 1025948748 /nfs/dbraw/zinc/94/87/48/1025948748.db2.gz IOGZLHHESOYJMV-HOCLYGCPSA-N 0 3 324.346 3.578 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000356108371 1025948909 /nfs/dbraw/zinc/94/89/09/1025948909.db2.gz IOGZLHHESOYJMV-ZBFHGGJFSA-N 0 3 324.346 3.578 20 30 DHEDHN C[C@H]1CN(Cc2cccc(OCCCC#N)c2)CCC1(F)F ZINC000356257221 1025995826 /nfs/dbraw/zinc/99/58/26/1025995826.db2.gz KFFBNJYEFLHNGJ-AWEZNQCLSA-N 0 3 308.372 3.846 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000237608204 1026017361 /nfs/dbraw/zinc/01/73/61/1026017361.db2.gz CDMJUBHLGWPAQB-BEFAXECRSA-N 0 3 322.408 3.981 20 30 DHEDHN CCN(Cc1cn2ccccc2c1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000289640069 1026111645 /nfs/dbraw/zinc/11/16/45/1026111645.db2.gz CYBFGVHNAIIHHN-MRXNPFEDSA-N 0 3 311.429 3.590 20 30 DHEDHN CCN(Cc1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1C ZINC000614396077 1026290099 /nfs/dbraw/zinc/29/00/99/1026290099.db2.gz UYGFGPWMXZFCAL-UHFFFAOYSA-N 0 3 324.424 3.906 20 30 DHEDHN CN(CCC#N)c1ccc(C=NNCCCc2ccccc2)cc1 ZINC000729146352 1026381860 /nfs/dbraw/zinc/38/18/60/1026381860.db2.gz TTWYDVXPHXJOFA-UHFFFAOYSA-N 0 3 320.440 3.593 20 30 DHEDHN C#Cc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1 ZINC000809634403 1026579332 /nfs/dbraw/zinc/57/93/32/1026579332.db2.gz BEMSDBMUBQOLTH-UHFFFAOYSA-N 0 3 323.461 3.793 20 30 DHEDHN C#C[C@@H](C)NCc1cc(Br)cc(C(F)(F)F)c1 ZINC000809682861 1026590854 /nfs/dbraw/zinc/59/08/54/1026590854.db2.gz GNGRKLRLKZTFJV-MRVPVSSYSA-N 0 3 306.125 3.579 20 30 DHEDHN C#C[C@H](C)NCc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000809682732 1026590885 /nfs/dbraw/zinc/59/08/85/1026590885.db2.gz AAZHGHKDZRGLRS-HNNXBMFYSA-N 0 3 321.449 3.771 20 30 DHEDHN C#C[C@@H](NCc1cn(C)nc1-c1cc2ccccc2o1)C(C)(C)C ZINC000809781010 1026624046 /nfs/dbraw/zinc/62/40/46/1026624046.db2.gz FBEMOJLIWLOWPB-GOSISDBHSA-N 0 3 321.424 3.971 20 30 DHEDHN N#Cc1ccc(C[NH2+]Cc2ccccc2[O-])c(C(F)(F)F)c1 ZINC000810141618 1026688648 /nfs/dbraw/zinc/68/86/48/1026688648.db2.gz DRAUZPWFMRKKHY-UHFFFAOYSA-N 0 3 306.287 3.572 20 30 DHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc([S@](C)=O)cc1 ZINC000618804500 1026824690 /nfs/dbraw/zinc/82/46/90/1026824690.db2.gz ASSSBAFFHUZCOZ-DPOVEGGPSA-N 0 3 324.449 3.634 20 30 DHEDHN CC1(C)[C@@H](c2ccccc2F)CCN1Cc1cncc(C#N)c1 ZINC000931553014 1027165824 /nfs/dbraw/zinc/16/58/24/1027165824.db2.gz APBSOFQTAALBNV-QGZVFWFLSA-N 0 3 309.388 3.860 20 30 DHEDHN C=CCSc1ccccc1C(=O)NC[C@H]1CCCCN1CC ZINC000362390426 1027182205 /nfs/dbraw/zinc/18/22/05/1027182205.db2.gz SMXPMSCFMBJPNU-OAHLLOKOSA-N 0 3 318.486 3.569 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000931648382 1027202591 /nfs/dbraw/zinc/20/25/91/1027202591.db2.gz NHAIGVHFBABAKH-YSSFQJQWSA-N 0 3 303.409 3.582 20 30 DHEDHN N#CC1CCC(CN2CCc3nc[nH]c3[C@@H]2c2ccccc2)CC1 ZINC000931796127 1027259424 /nfs/dbraw/zinc/25/94/24/1027259424.db2.gz CJIYLOHHNDTFKK-PMTKGXAQSA-N 0 3 320.440 3.687 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931916827 1027304224 /nfs/dbraw/zinc/30/42/24/1027304224.db2.gz WSRIKQDJMAWALO-BXUZGUMPSA-N 0 3 312.310 3.986 20 30 DHEDHN Cc1nccn1CCCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000362722540 1027358349 /nfs/dbraw/zinc/35/83/49/1027358349.db2.gz FEYVNZXZBCGLAI-UXHICEINSA-N 0 3 322.456 3.744 20 30 DHEDHN C#C[C@@H](N[C@H]1CCc2ccc(OC)cc2C1)c1ccc(F)cc1 ZINC000812793957 1027422892 /nfs/dbraw/zinc/42/28/92/1027422892.db2.gz LHXWHYKVSVQBPA-AZUAARDMSA-N 0 3 309.384 3.656 20 30 DHEDHN CCN(Cc1cc(C#N)ccc1OC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849787 1027444850 /nfs/dbraw/zinc/44/48/50/1027444850.db2.gz JPHFFJRGEPYOOG-MGPUTAFESA-N 0 3 324.424 3.511 20 30 DHEDHN CCN(Cc1cccc(C#N)c1F)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848245 1027446986 /nfs/dbraw/zinc/44/69/86/1027446986.db2.gz IMCQINDTHUXJFY-LIRRHRJNSA-N 0 3 312.388 3.641 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CC[C@@H](SC)C1 ZINC000778172337 1027739725 /nfs/dbraw/zinc/73/97/25/1027739725.db2.gz HTHMDOGGEKQLIL-QWHCGFSZSA-N 0 3 309.862 3.726 20 30 DHEDHN C=CCOc1cccc(CNCc2ccnc(N3CCCC3)c2)c1 ZINC000298378114 1027901409 /nfs/dbraw/zinc/90/14/09/1027901409.db2.gz CFTPPQRIHALLMU-UHFFFAOYSA-N 0 3 323.440 3.536 20 30 DHEDHN C=CCOc1ccc(CN[C@H](c2ccc(OC)nc2)C2CC2)cc1 ZINC000527840803 1027916788 /nfs/dbraw/zinc/91/67/88/1027916788.db2.gz TXLYULVSAPTUQV-FQEVSTJZSA-N 0 3 324.424 3.896 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000563215732 1027936241 /nfs/dbraw/zinc/93/62/41/1027936241.db2.gz PDGSATWCKMZTHR-SFHVURJKSA-N 0 3 321.380 3.674 20 30 DHEDHN COc1ccc([C@H](N[C@@H]2CCc3ccc(C#N)cc32)C2CC2)cn1 ZINC000528043358 1028052008 /nfs/dbraw/zinc/05/20/08/1028052008.db2.gz NTAGWSXLXRYOJK-UYAOXDASSA-N 0 3 319.408 3.690 20 30 DHEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2[nH]c(=O)oc2c1 ZINC000601305404 1028072474 /nfs/dbraw/zinc/07/24/74/1028072474.db2.gz VDQWABKYDPVVSV-BZNIZROVSA-N 0 3 319.364 3.743 20 30 DHEDHN CC(C)(CN1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000367243182 1028153537 /nfs/dbraw/zinc/15/35/37/1028153537.db2.gz IICQEFAPBBEBOD-UHFFFAOYSA-N 0 3 319.452 3.917 20 30 DHEDHN Cc1nc(C=NNc2ccc(F)c(F)c2F)c2ccccn12 ZINC000814945927 1028301487 /nfs/dbraw/zinc/30/14/87/1028301487.db2.gz XDXLJROYKARQFU-UHFFFAOYSA-N 0 3 304.275 3.506 20 30 DHEDHN N#CCC1(CNCc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000368461147 1028358773 /nfs/dbraw/zinc/35/87/73/1028358773.db2.gz HHSYJOIQYOHWOQ-UHFFFAOYSA-N 0 3 306.369 3.606 20 30 DHEDHN N#Cc1ccc(OCCCN2CC=C(c3cccnc3)CC2)cc1 ZINC000369263920 1028465173 /nfs/dbraw/zinc/46/51/73/1028465173.db2.gz GOHAAKMVOFDYLB-UHFFFAOYSA-N 0 3 319.408 3.511 20 30 DHEDHN C=CCCCC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000370067523 1028561947 /nfs/dbraw/zinc/56/19/47/1028561947.db2.gz ZKEDGZOXXLUEIT-CRAIPNDOSA-N 0 3 320.864 3.805 20 30 DHEDHN CC1(C#N)CCC(N[C@@H]2CCOc3c(F)ccc(F)c32)CC1 ZINC000449337968 1028572921 /nfs/dbraw/zinc/57/29/21/1028572921.db2.gz UAFJTPJOORJQPX-CHHLVHLRSA-N 0 3 306.356 3.850 20 30 DHEDHN C#CCOc1ccc(CNCc2cccc(CSC)c2)cc1 ZINC000189492197 1028592637 /nfs/dbraw/zinc/59/26/37/1028592637.db2.gz TYCGQWAJKFHPJR-UHFFFAOYSA-N 0 3 311.450 3.851 20 30 DHEDHN C=CCOc1ccc(CN2CC(C)(C)[C@H]2C2CC2)cc1OC ZINC000565512563 1028597470 /nfs/dbraw/zinc/59/74/70/1028597470.db2.gz AQUUGEOSRGOOJH-GOSISDBHSA-N 0 3 301.430 3.880 20 30 DHEDHN N#CCCN[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000566130605 1028680520 /nfs/dbraw/zinc/68/05/20/1028680520.db2.gz CFEMFVLVIQGEHU-HNNXBMFYSA-N 0 3 307.235 3.664 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@H](OCC)[C@H](C)C2)cc1OC ZINC000449489754 1028698899 /nfs/dbraw/zinc/69/88/99/1028698899.db2.gz AXVDQJLNNNNHIN-WBVHZDCISA-N 0 3 319.445 3.507 20 30 DHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccc(F)c1 ZINC000076842970 1028740042 /nfs/dbraw/zinc/74/00/42/1028740042.db2.gz WJVNMTXIXCTFKX-RISCZKNCSA-N 0 3 308.312 3.947 20 30 DHEDHN C=CCCCN[C@H](c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000372487184 1028864388 /nfs/dbraw/zinc/86/43/88/1028864388.db2.gz ZVAKDCMEUIZOOQ-INIZCTEOSA-N 0 3 307.800 3.858 20 30 DHEDHN COc1ccc([C@H](NCc2ccc(C#N)cc2C)C2CC2)cn1 ZINC000528854469 1028883559 /nfs/dbraw/zinc/88/35/59/1028883559.db2.gz VNJITQOFLCSCBL-LJQANCHMSA-N 0 3 307.397 3.511 20 30 DHEDHN C[C@H]1[C@@H](OC(=O)CC(C)(C)C#N)CCCN1Cc1ccccc1 ZINC000816472109 1028902168 /nfs/dbraw/zinc/90/21/68/1028902168.db2.gz VAECWTOVMCITNE-RDJZCZTQSA-N 0 3 314.429 3.523 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](CC)c1ccc(OC)cc1 ZINC000119456538 1028923149 /nfs/dbraw/zinc/92/31/49/1028923149.db2.gz LMQQJAMWAUUNCP-CRAIPNDOSA-N 0 3 318.461 3.549 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1cocc1C ZINC000528920771 1028931740 /nfs/dbraw/zinc/93/17/40/1028931740.db2.gz ROCTXOUYKGXHEO-HNNXBMFYSA-N 0 3 324.380 3.674 20 30 DHEDHN C=C(CC)CNCc1cc(OC)ccc1OCc1ccccn1 ZINC000449732045 1028939639 /nfs/dbraw/zinc/93/96/39/1028939639.db2.gz KPELBJPHBJKZDC-UHFFFAOYSA-N 0 3 312.413 3.725 20 30 DHEDHN CC[C@H](CC#N)N[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170856511 1029097013 /nfs/dbraw/zinc/09/70/13/1029097013.db2.gz MXXMTVLZSVITIW-HUUCEWRRSA-N 0 3 307.235 3.588 20 30 DHEDHN N#CC1(CCN2CC[C@@]3(C2)OCc2ccccc23)CCCCC1 ZINC000411547342 1029153985 /nfs/dbraw/zinc/15/39/85/1029153985.db2.gz VUPOECPMINWDLX-FQEVSTJZSA-N 0 3 310.441 3.982 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1Cl ZINC000373895633 1029162940 /nfs/dbraw/zinc/16/29/40/1029162940.db2.gz AUQLHBLNLGRYOZ-GOEBONIOSA-N 0 3 307.821 3.516 20 30 DHEDHN C[C@@H](CCC#N)N[C@@H]1CCOc2c(Br)cccc21 ZINC000411689568 1029185575 /nfs/dbraw/zinc/18/55/75/1029185575.db2.gz DAECQYRXDSFUHE-GXFFZTMASA-N 0 3 309.207 3.555 20 30 DHEDHN C#CCOc1ccc(CN2C[C@@H](C)C[C@H]2c2cccnc2)cc1 ZINC000190962303 1029227896 /nfs/dbraw/zinc/22/78/96/1029227896.db2.gz PYVZCSGOQGUSIX-JXFKEZNVSA-N 0 3 306.409 3.677 20 30 DHEDHN N#Cc1ccc(C2=CCN(Cc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000374283033 1029271189 /nfs/dbraw/zinc/27/11/89/1029271189.db2.gz IPBWLDCHVSKIQR-UHFFFAOYSA-N 0 3 314.392 3.724 20 30 DHEDHN C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(CN(C)C)c1 ZINC000412811110 1029530388 /nfs/dbraw/zinc/53/03/88/1029530388.db2.gz BQNUYIXXBJHFPB-HXUWFJFHSA-N 0 3 322.452 3.665 20 30 DHEDHN N#Cc1ccc(CN2CCC3(CCC(O)CC3)CC2)c(Cl)c1 ZINC000451151532 1029803903 /nfs/dbraw/zinc/80/39/03/1029803903.db2.gz BIJCKOMVKOLDEY-UHFFFAOYSA-N 0 3 318.848 3.729 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(C)C ZINC000412988486 1029903595 /nfs/dbraw/zinc/90/35/95/1029903595.db2.gz MAYUYQQBNYLMDU-HNNXBMFYSA-N 0 3 322.522 3.629 20 30 DHEDHN CCCNc1ccc(CNCc2cc(C#N)ccc2N(C)C)cc1 ZINC000865544643 1029908964 /nfs/dbraw/zinc/90/89/64/1029908964.db2.gz ZSGSGUSNHVIALD-UHFFFAOYSA-N 0 3 322.456 3.736 20 30 DHEDHN CCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000822526806 1030044927 /nfs/dbraw/zinc/04/49/27/1030044927.db2.gz YEEWELXNPPEJIK-CQSZACIVSA-N 0 3 310.397 3.856 20 30 DHEDHN CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000822526806 1030044931 /nfs/dbraw/zinc/04/49/31/1030044931.db2.gz YEEWELXNPPEJIK-CQSZACIVSA-N 0 3 310.397 3.856 20 30 DHEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1cc2cnccc2o1 ZINC000865855087 1030060677 /nfs/dbraw/zinc/06/06/77/1030060677.db2.gz VBVPWEFOASRYHU-UONOGXRCSA-N 0 3 321.380 3.969 20 30 DHEDHN CC(C)[C@H](C)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000357482481 1030072477 /nfs/dbraw/zinc/07/24/77/1030072477.db2.gz KSTCTEYFVVMDCY-AWEZNQCLSA-N 0 3 321.852 3.563 20 30 DHEDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000924698717 1030163625 /nfs/dbraw/zinc/16/36/25/1030163625.db2.gz GFDATTFGOAPHAE-CABCVRRESA-N 0 3 315.461 3.633 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000924799271 1030193661 /nfs/dbraw/zinc/19/36/61/1030193661.db2.gz MIJOAYVPTANJIE-HUUCEWRRSA-N 0 3 313.445 3.792 20 30 DHEDHN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)C(C)C ZINC000533256433 1030227616 /nfs/dbraw/zinc/22/76/16/1030227616.db2.gz UYZNPEKUTHXKDL-GFCCVEGCSA-N 0 3 307.825 3.517 20 30 DHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000533290242 1030247429 /nfs/dbraw/zinc/24/74/29/1030247429.db2.gz VREDBSZLCVSJMZ-HNNXBMFYSA-N 0 3 306.425 3.509 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1ccc(F)cc1F ZINC000823616832 1030342233 /nfs/dbraw/zinc/34/22/33/1030342233.db2.gz CDMHICNHLOEUJP-KPZWWZAWSA-N 0 3 316.351 3.563 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000533437245 1030356310 /nfs/dbraw/zinc/35/63/10/1030356310.db2.gz UCQAQYSGJIVHJQ-LBPRGKRZSA-N 0 3 314.351 3.930 20 30 DHEDHN C=CCC[C@H](NCc1ncc(Br)s1)C1CC1 ZINC000866615965 1030404287 /nfs/dbraw/zinc/40/42/87/1030404287.db2.gz KCUIQRKUOOARAS-JTQLQIEISA-N 0 3 301.253 3.740 20 30 DHEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1nc2c(s1)CCCC2 ZINC000866617928 1030407615 /nfs/dbraw/zinc/40/76/15/1030407615.db2.gz RKIPSOGXGQPWQH-MLGOLLRUSA-N 0 3 323.465 3.712 20 30 DHEDHN COc1ccc(CN2CCC(c3ccccc3)CC2)cc1C#N ZINC000533538676 1030417708 /nfs/dbraw/zinc/41/77/08/1030417708.db2.gz DUJWUBYYKRMOBG-UHFFFAOYSA-N 0 3 306.409 3.946 20 30 DHEDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C12CCC2 ZINC000358580577 1030544949 /nfs/dbraw/zinc/54/49/49/1030544949.db2.gz YDIJZWTWUIGNHF-CSMYWGQOSA-N 0 3 302.393 3.696 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2ccccc2nc1Cl ZINC000824955253 1030680327 /nfs/dbraw/zinc/68/03/27/1030680327.db2.gz WHWROVNXTJHIPC-CVEARBPZSA-N 0 3 302.805 3.711 20 30 DHEDHN CCO[C@H]1C[C@H](NCc2cccc(C#N)c2F)C12CCCC2 ZINC000358996336 1030716859 /nfs/dbraw/zinc/71/68/59/1030716859.db2.gz DXCKCYKTKFFLAA-HOTGVXAUSA-N 0 3 302.393 3.525 20 30 DHEDHN C#Cc1cccc(CNCc2ccc3c(c2)OCCCCO3)c1 ZINC000825227134 1030752676 /nfs/dbraw/zinc/75/26/76/1030752676.db2.gz QPPSVMXSACVYAS-UHFFFAOYSA-N 0 3 307.393 3.509 20 30 DHEDHN C#Cc1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000825311115 1030783272 /nfs/dbraw/zinc/78/32/72/1030783272.db2.gz GSLMIRWIOXXBNB-SFHVURJKSA-N 0 3 311.450 3.723 20 30 DHEDHN C#CCN1CCC(C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000067706478 1030902364 /nfs/dbraw/zinc/90/23/64/1030902364.db2.gz CKGYCYXSVKANNK-UHFFFAOYSA-N 0 3 318.420 3.637 20 30 DHEDHN C=C(C)CN(CC)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143693480 1030907825 /nfs/dbraw/zinc/90/78/25/1030907825.db2.gz PMSMUPPAYIBXPN-UHFFFAOYSA-N 0 3 305.422 3.827 20 30 DHEDHN Clc1ccc(C#CCN2CCC[C@]3(CCSC3)C2)cc1 ZINC001171098239 1030927940 /nfs/dbraw/zinc/92/79/40/1030927940.db2.gz JGJASBKSWJNLFS-KRWDZBQOSA-N 0 3 305.874 3.911 20 30 DHEDHN C[C@@H]1Cc2cc(CN[C@H]3CCc4ccc(C#N)cc43)ccc2O1 ZINC000926917970 1030991206 /nfs/dbraw/zinc/99/12/06/1030991206.db2.gz FYLHDTMCUQBHFW-YJYMSZOUSA-N 0 3 304.393 3.659 20 30 DHEDHN C[C@@H]([C@H](OC(=O)c1coc(C#N)c1)c1ccccc1)N1CCCC1 ZINC000870468327 1031013528 /nfs/dbraw/zinc/01/35/28/1031013528.db2.gz ROKCJNWGVKECGQ-KSSFIOAISA-N 0 3 324.380 3.534 20 30 DHEDHN C=CCCn1cc(CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)nn1 ZINC000653712469 1031170010 /nfs/dbraw/zinc/17/00/10/1031170010.db2.gz GLJVJJFQCFWMJV-MDZRGWNJSA-N 0 3 310.445 3.621 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1 ZINC001144163578 1031282869 /nfs/dbraw/zinc/28/28/69/1031282869.db2.gz LEKKJZVWLDOISE-INIZCTEOSA-N 0 3 309.388 3.547 20 30 DHEDHN N#Cc1ccc(CN(C[C@@H]2CC[C@@H](C(F)(F)F)O2)C2CC2)cc1 ZINC000929368010 1031503922 /nfs/dbraw/zinc/50/39/22/1031503922.db2.gz UGZJTUCIZOXEML-HOTGVXAUSA-N 0 3 324.346 3.633 20 30 DHEDHN Cc1cc(NC(=N)c2ccc3cc(O)ccc3c2)ccc1CC#N ZINC001171182359 1031591021 /nfs/dbraw/zinc/59/10/21/1031591021.db2.gz KIVVMKHNNVYYFY-UHFFFAOYSA-N 0 3 315.376 3.957 20 30 DHEDHN COc1cc(F)c(CN[C@H](C)Cc2cccc(C#N)c2)c(F)c1 ZINC001171185678 1031609361 /nfs/dbraw/zinc/60/93/61/1031609361.db2.gz RICRMGNKSZMZMY-GFCCVEGCSA-N 0 3 316.351 3.566 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1c(F)cc(F)cc1F ZINC001171186121 1031611720 /nfs/dbraw/zinc/61/17/20/1031611720.db2.gz UEOHTNBOIZXZML-LLVKDONJSA-N 0 3 304.315 3.696 20 30 DHEDHN N#CC[C@@H](O)CN[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000929863290 1031629330 /nfs/dbraw/zinc/62/93/30/1031629330.db2.gz QYUDIHGPWVEHRR-UXHICEINSA-N 0 3 308.425 3.615 20 30 DHEDHN N#Cc1cncc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000929882458 1031635104 /nfs/dbraw/zinc/63/51/04/1031635104.db2.gz NAFHKXRLDFAJOO-SFHVURJKSA-N 0 3 316.408 3.814 20 30 DHEDHN N#Cc1csc(CN2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000897588883 1031662899 /nfs/dbraw/zinc/66/28/99/1031662899.db2.gz ACAGPUADJCGTHW-UHFFFAOYSA-N 0 3 307.422 3.871 20 30 DHEDHN CCN(CCc1nccs1)Cc1cc(Cl)cc(C#N)c1 ZINC000930087354 1031696176 /nfs/dbraw/zinc/69/61/76/1031696176.db2.gz MXGVSPBCZOYTMV-UHFFFAOYSA-N 0 3 305.834 3.733 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@H](OCc3ccccc3)C2)cc1 ZINC001144576890 1031724866 /nfs/dbraw/zinc/72/48/66/1031724866.db2.gz VIGGNSBQUWSRIU-NRFANRHFSA-N 0 3 305.421 3.849 20 30 DHEDHN CC[C@@H](C)n1ncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000361195357 1031782065 /nfs/dbraw/zinc/78/20/65/1031782065.db2.gz ZTKGMXCZFAXSKL-YPMHNXCESA-N 0 3 321.384 3.529 20 30 DHEDHN N#Cc1cncc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000930352611 1031789290 /nfs/dbraw/zinc/78/92/90/1031789290.db2.gz AQXOBBMSNDMGCJ-ACDBMABISA-N 0 3 303.409 3.864 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cc(N)cc(F)c1 ZINC000873288473 1031790895 /nfs/dbraw/zinc/79/08/95/1031790895.db2.gz GPIJEVLFUZWMNI-IBGZPJMESA-N 0 3 309.388 3.837 20 30 DHEDHN N#CCCCOc1cccc(CN2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846109266 1031861096 /nfs/dbraw/zinc/86/10/96/1031861096.db2.gz UDZKVJNVBUXKQD-QGZVFWFLSA-N 0 3 320.383 3.990 20 30 DHEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cnn(Cc2ccccc2)c1 ZINC000361436444 1031924127 /nfs/dbraw/zinc/92/41/27/1031924127.db2.gz WHKZRUWRZYILML-KVSKMBFKSA-N 0 3 308.429 3.664 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCCC2CCC(F)(F)CC2)c1 ZINC000898032262 1031926421 /nfs/dbraw/zinc/92/64/21/1031926421.db2.gz XXVZAGDYYIGTFJ-UHFFFAOYSA-N 0 3 313.779 3.912 20 30 DHEDHN CCCC[C@H]1C[C@@H](N[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C ZINC001172636666 1033300187 /nfs/dbraw/zinc/30/01/87/1033300187.db2.gz PBMFVKODUGLMLL-JYJNAYRXSA-N 0 3 323.481 3.836 20 30 DHEDHN C=C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccccc1 ZINC001172667250 1033319005 /nfs/dbraw/zinc/31/90/05/1033319005.db2.gz DMYWJTSZBYNXSA-WOJBJXKFSA-N 0 3 320.436 3.695 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)C23CC(C2)C3)cc1 ZINC000860472351 1033391176 /nfs/dbraw/zinc/39/11/76/1033391176.db2.gz IGVZRTLBHMXRND-LSXQSPAISA-N 0 3 310.397 3.648 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)C23CC(C2)C3)cc1 ZINC000860472353 1033391560 /nfs/dbraw/zinc/39/15/60/1033391560.db2.gz IGVZRTLBHMXRND-QBKMQWGPSA-N 0 3 310.397 3.648 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@](C)(C(F)(F)F)C2)cc1 ZINC000877812155 1033464416 /nfs/dbraw/zinc/46/44/16/1033464416.db2.gz IGZUYCPZCXUXKU-IUODEOHRSA-N 0 3 312.335 3.752 20 30 DHEDHN COC(=O)c1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1C ZINC000878361152 1033672960 /nfs/dbraw/zinc/67/29/60/1033672960.db2.gz NQCAKQGCUVUHHW-CQSZACIVSA-N 0 3 308.381 3.504 20 30 DHEDHN C=CCOC1CCC(N[C@H](c2ccccc2)c2cccnn2)CC1 ZINC001173319666 1033712898 /nfs/dbraw/zinc/71/28/98/1033712898.db2.gz QYIFKAZIIKIIPX-AFMYVXGZSA-N 0 3 323.440 3.669 20 30 DHEDHN C=C(C)CN(CC[C@H]1CCCC1(F)F)Cc1ccc(CO)o1 ZINC000878606950 1033767838 /nfs/dbraw/zinc/76/78/38/1033767838.db2.gz QUJLNIYXGANYHU-CQSZACIVSA-N 0 3 313.388 3.976 20 30 DHEDHN N=C(NC1CCC2(CCc3ccccc32)CC1)c1ccc(F)cn1 ZINC001173689779 1033833049 /nfs/dbraw/zinc/83/30/49/1033833049.db2.gz TUTBEIXAVIJKTM-UHFFFAOYSA-N 0 3 323.415 3.753 20 30 DHEDHN C#CC[C@H]1CCN(Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000862447358 1033860291 /nfs/dbraw/zinc/86/02/91/1033860291.db2.gz MEJVHVSPRNJRNH-LBPRGKRZSA-N 0 3 315.310 3.612 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1CCC(C2CCC2)CC1)c1ccccc1 ZINC000878915425 1033865294 /nfs/dbraw/zinc/86/52/94/1033865294.db2.gz UNTQQZJFCNYRGH-NRFANRHFSA-N 0 3 324.468 3.939 20 30 DHEDHN CC(=NNc1ccnc(C)c1)c1sc(C(C)(C)C)nc1C ZINC000863158804 1034009050 /nfs/dbraw/zinc/00/90/50/1034009050.db2.gz RQEVIUSQUGYYQJ-UHFFFAOYSA-N 0 3 302.447 3.710 20 30 DHEDHN C=CCCOCCNCc1ccc(-c2cccc(F)c2F)o1 ZINC000480283619 1034173741 /nfs/dbraw/zinc/17/37/41/1034173741.db2.gz OPOWGMLRYJZWIA-UHFFFAOYSA-N 0 3 307.340 3.907 20 30 DHEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)CC[C@@H](C(F)(F)F)O1 ZINC000880066524 1034200061 /nfs/dbraw/zinc/20/00/61/1034200061.db2.gz HUXMVTNNHZWNOS-OLZOCXBDSA-N 0 3 306.372 3.748 20 30 DHEDHN COc1ccc(CNC/C=C/c2ccc(F)cc2F)cc1C#N ZINC000757857070 1034282666 /nfs/dbraw/zinc/28/26/66/1034282666.db2.gz MDXWMVSJMHPDMY-NSCUHMNNSA-N 0 3 314.335 3.648 20 30 DHEDHN CC(C)[C@H](NCc1cc(C#N)ccc1F)[C@H](O)c1ccccc1 ZINC000794606785 1034307148 /nfs/dbraw/zinc/30/71/48/1034307148.db2.gz RPFXYLFCYVDLJN-RBUKOAKNSA-N 0 3 312.388 3.545 20 30 DHEDHN CC(C)[C@@H](NCc1ccc(F)cc1C#N)[C@@H](O)c1ccccc1 ZINC000794615134 1034314420 /nfs/dbraw/zinc/31/44/20/1034314420.db2.gz VMMSTKNIGGMWAU-MOPGFXCFSA-N 0 3 312.388 3.545 20 30 DHEDHN CC(C)[C@@H](NCc1cccc(C#N)c1F)[C@H](O)c1ccccc1 ZINC000794614595 1034316582 /nfs/dbraw/zinc/31/65/82/1034316582.db2.gz RWTHPLQQVBVYSO-RTBURBONSA-N 0 3 312.388 3.545 20 30 DHEDHN C=CCCC[C@H](NCc1cc(=O)c(OC)co1)c1ccccc1 ZINC000880388205 1034320389 /nfs/dbraw/zinc/32/03/89/1034320389.db2.gz JYWUEINDEGHQED-KRWDZBQOSA-N 0 3 313.397 3.836 20 30 DHEDHN C=CCC[C@H](O)CN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180570978 1034343701 /nfs/dbraw/zinc/34/37/01/1034343701.db2.gz SHFAMWKVJNRVLD-UONOGXRCSA-N 0 3 305.315 3.736 20 30 DHEDHN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(CC)cc2)o1 ZINC000128732523 1034500537 /nfs/dbraw/zinc/50/05/37/1034500537.db2.gz RKJSNDAHHWVEJR-MRXNPFEDSA-N 0 3 324.380 3.674 20 30 DHEDHN CCC[C@@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185858105 1034579452 /nfs/dbraw/zinc/57/94/52/1034579452.db2.gz MGAXYIVGZOPKCD-MRXNPFEDSA-N 0 3 310.401 3.763 20 30 DHEDHN CCc1cnccc1[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000773430553 1034691686 /nfs/dbraw/zinc/69/16/86/1034691686.db2.gz ZVGKYXJBSWBSQQ-GJZGRUSLSA-N 0 3 309.413 3.786 20 30 DHEDHN Cc1ccccc1[C@@H](C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC001175443188 1034987916 /nfs/dbraw/zinc/98/79/16/1034987916.db2.gz CTUFJDOEQQSMPO-QGZVFWFLSA-N 0 3 305.425 3.750 20 30 DHEDHN COc1ccc(NC2=CCN(Cc3ccccc3)CC2)c(C#N)c1 ZINC001175506080 1035016645 /nfs/dbraw/zinc/01/66/45/1035016645.db2.gz NGSMZFNOYGFMSF-UHFFFAOYSA-N 0 3 319.408 3.769 20 30 DHEDHN CC(C)N(CCc1nccs1)Cc1ccc(C#N)cc1F ZINC000159792158 1035090427 /nfs/dbraw/zinc/09/04/27/1035090427.db2.gz GBZKMMSZVGSHHP-UHFFFAOYSA-N 0 3 303.406 3.607 20 30 DHEDHN CCN1CCN(c2ccc(Nc3ccc(C)cc3C#N)cc2)CC1 ZINC001175780509 1035119451 /nfs/dbraw/zinc/11/94/51/1035119451.db2.gz GQBJJEMYIMNQTG-UHFFFAOYSA-N 0 3 320.440 3.752 20 30 DHEDHN Cc1cccc([C@H]2CCCN2CCCOc2cccc(C#N)c2)n1 ZINC000160044849 1035128389 /nfs/dbraw/zinc/12/83/89/1035128389.db2.gz WRXPJNRMDAEMJH-HXUWFJFHSA-N 0 3 321.424 3.868 20 30 DHEDHN CC(C)(CCC#N)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000160209936 1035150908 /nfs/dbraw/zinc/15/09/08/1035150908.db2.gz TVYVJMSGIAPGPD-QGZVFWFLSA-N 0 3 316.445 3.703 20 30 DHEDHN CC(C)(CCC#N)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000160209936 1035150912 /nfs/dbraw/zinc/15/09/12/1035150912.db2.gz TVYVJMSGIAPGPD-QGZVFWFLSA-N 0 3 316.445 3.703 20 30 DHEDHN Cc1ccoc1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128792757 1035231461 /nfs/dbraw/zinc/23/14/61/1035231461.db2.gz GAKYNRCQICSHOH-HNNXBMFYSA-N 0 3 318.332 3.702 20 30 DHEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C(C)(C)C)C1 ZINC000483255656 1035247787 /nfs/dbraw/zinc/24/77/87/1035247787.db2.gz BLRXRBWFXHLUPL-GDBMZVCRSA-N 0 3 313.445 3.643 20 30 DHEDHN C=CCN(CCOC)Cc1ccc(-c2ccccc2OC)cc1 ZINC000483423293 1035268339 /nfs/dbraw/zinc/26/83/39/1035268339.db2.gz STYOKLDYBFNNIJ-UHFFFAOYSA-N 0 3 311.425 3.997 20 30 DHEDHN C=CCN(CC(=O)N[C@H](C)c1cccs1)CC1CCCCC1 ZINC000484485659 1035339224 /nfs/dbraw/zinc/33/92/24/1035339224.db2.gz JFEUKNGRTUFZKR-OAHLLOKOSA-N 0 3 320.502 3.994 20 30 DHEDHN FC(F)(F)c1ccc(C#CCNC2([C@H]3CCCO3)CCC2)cc1 ZINC001176941106 1035339306 /nfs/dbraw/zinc/33/93/06/1035339306.db2.gz XUORREWCAJVIID-MRXNPFEDSA-N 0 3 323.358 3.748 20 30 DHEDHN C=CCN(CC(=O)NCc1sccc1C)CC1CCCCC1 ZINC000484544701 1035359651 /nfs/dbraw/zinc/35/96/51/1035359651.db2.gz SFFHTMDWRHWNOF-UHFFFAOYSA-N 0 3 320.502 3.741 20 30 DHEDHN C=CCN(CC[S@](=O)c1ccccc1)CC1CCCCC1 ZINC000484661761 1035383101 /nfs/dbraw/zinc/38/31/01/1035383101.db2.gz DTDUPDICERULDE-NRFANRHFSA-N 0 3 305.487 3.863 20 30 DHEDHN C=C(CNCc1cncc(Br)c1C)c1ccccc1 ZINC001177688489 1035388591 /nfs/dbraw/zinc/38/85/91/1035388591.db2.gz XJNOXZQTFKAADU-UHFFFAOYSA-N 0 3 317.230 3.956 20 30 DHEDHN CN(C)Cc1ccc(-c2noc(-c3sccc3CC#N)n2)cc1 ZINC000904626370 1035437263 /nfs/dbraw/zinc/43/72/63/1035437263.db2.gz WFQPQAYGHZFLLW-UHFFFAOYSA-N 0 3 324.409 3.593 20 30 DHEDHN C=CCNCc1cc(-c2cnn([C@H]3CCCCO3)c2)ccc1F ZINC000904808998 1035455165 /nfs/dbraw/zinc/45/51/65/1035455165.db2.gz DMFLYANZINVHPV-GOSISDBHSA-N 0 3 315.392 3.664 20 30 DHEDHN C#CCN(CC)C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001180280882 1035644315 /nfs/dbraw/zinc/64/43/15/1035644315.db2.gz OZRSPXZPKADTFW-HNNXBMFYSA-N 0 3 310.482 3.661 20 30 DHEDHN C=CC[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2OC)C1 ZINC000668493674 1035669117 /nfs/dbraw/zinc/66/91/17/1035669117.db2.gz QGTWYMCLBMPBGR-CQSZACIVSA-N 0 3 305.418 3.501 20 30 DHEDHN COc1ccccc1C[C@@H](C)N(C)Cc1cc(C#N)ccc1OC ZINC000325425426 1035718480 /nfs/dbraw/zinc/71/84/80/1035718480.db2.gz XYJKQQSTBFJNDA-OAHLLOKOSA-N 0 3 324.424 3.638 20 30 DHEDHN CC(C)(C)[C@H](COc1ccccc1F)NCc1ccc(C#N)o1 ZINC000539501625 1035752830 /nfs/dbraw/zinc/75/28/30/1035752830.db2.gz YQZLLUXZHZEPHK-KRWDZBQOSA-N 0 3 316.376 3.874 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1csc(-c2ccc(C)o2)n1 ZINC001193913054 1035768331 /nfs/dbraw/zinc/76/83/31/1035768331.db2.gz CSQJZCCMXRBNCQ-UHFFFAOYSA-N 0 3 319.474 3.651 20 30 DHEDHN CC1(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCC1 ZINC001193987276 1035791195 /nfs/dbraw/zinc/79/11/95/1035791195.db2.gz BWVJYCKOWOUGPA-KRWDZBQOSA-N 0 3 317.864 3.712 20 30 DHEDHN CCO[C@@H]1C[C@@H](NCC#Cc2ccccc2Cl)C12CCC2 ZINC001194446187 1035940411 /nfs/dbraw/zinc/94/04/11/1035940411.db2.gz NWEJUBDMMAOAQF-IAGOWNOFSA-N 0 3 303.833 3.629 20 30 DHEDHN C[NH+](C)Cc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000914702118 1036252565 /nfs/dbraw/zinc/25/25/65/1036252565.db2.gz WYJSOUJHRJQCBE-YBFXNURJSA-N 0 3 302.805 3.726 20 30 DHEDHN C#CC[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001195464486 1036255055 /nfs/dbraw/zinc/25/50/55/1036255055.db2.gz VSALEFIYKGGLDW-GOSISDBHSA-N 0 3 320.436 3.896 20 30 DHEDHN N#Cc1csc(CNCc2ccc(Br)cc2)c1 ZINC000093492549 1036349100 /nfs/dbraw/zinc/34/91/00/1036349100.db2.gz HMLHHVSXFPBIGQ-UHFFFAOYSA-N 0 3 307.216 3.672 20 30 DHEDHN C#CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001182542768 1036384909 /nfs/dbraw/zinc/38/49/09/1036384909.db2.gz FYMAYIDRALQPAW-CYBMUJFWSA-N 0 3 322.246 3.698 20 30 DHEDHN C#CC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001182542768 1036384929 /nfs/dbraw/zinc/38/49/29/1036384929.db2.gz FYMAYIDRALQPAW-CYBMUJFWSA-N 0 3 322.246 3.698 20 30 DHEDHN C[C@H](NCC#Cc1ccccc1Cl)[C@H]1COc2ccccc21 ZINC000541698507 1036405119 /nfs/dbraw/zinc/40/51/19/1036405119.db2.gz YUBUUHURKXOMSF-WMLDXEAASA-N 0 3 311.812 3.846 20 30 DHEDHN CC1(C)CCC[C@@H](CN2CCN(c3ccsc3C#N)CC2)C1 ZINC001182865140 1036471461 /nfs/dbraw/zinc/47/14/61/1036471461.db2.gz SFZOMJOTJHLNIM-OAHLLOKOSA-N 0 3 317.502 3.958 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(CC)c2)CC1 ZINC000486961364 1036490764 /nfs/dbraw/zinc/49/07/64/1036490764.db2.gz DRMCRTLPBMQRNJ-UHFFFAOYSA-N 0 3 319.424 3.550 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC001196323799 1036502879 /nfs/dbraw/zinc/50/28/79/1036502879.db2.gz XPTXFDADJUUWTN-CAKACJFASA-N 0 3 316.489 3.739 20 30 DHEDHN COc1cc2c(c(CN3CCC(CCC#N)CC3)c1)O[C@H](C)C2 ZINC000569694847 1036527028 /nfs/dbraw/zinc/52/70/28/1036527028.db2.gz WDKXLLLQSWQGNW-CQSZACIVSA-N 0 3 314.429 3.534 20 30 DHEDHN CCCCCCCC[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001273739097 1036709570 /nfs/dbraw/zinc/70/95/70/1036709570.db2.gz XHWAJOYUIDNZSI-XMTFNYHQSA-N 0 3 306.494 3.536 20 30 DHEDHN Cc1cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1C#N ZINC000488130155 1036863312 /nfs/dbraw/zinc/86/33/12/1036863312.db2.gz VMWATQVPSZLORV-AWEZNQCLSA-N 0 3 309.369 3.934 20 30 DHEDHN COc1ccc(C#N)cc1CN[C@H](C)COCC1CCCCC1 ZINC001198000749 1036923930 /nfs/dbraw/zinc/92/39/30/1036923930.db2.gz JIYWQSKLWIXKHD-OAHLLOKOSA-N 0 3 316.445 3.642 20 30 DHEDHN Cc1cc(C)nc(CN2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001198210746 1036969612 /nfs/dbraw/zinc/96/96/12/1036969612.db2.gz LGRHVAQQTREGMJ-UHFFFAOYSA-N 0 3 305.425 3.950 20 30 DHEDHN CC(=O)Nc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000193613619 1037022453 /nfs/dbraw/zinc/02/24/53/1037022453.db2.gz REOCDUYOZQPKDH-UHFFFAOYSA-N 0 3 319.408 3.681 20 30 DHEDHN Clc1ccccc1C#CCN1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001198563138 1037058870 /nfs/dbraw/zinc/05/88/70/1037058870.db2.gz IIFQLHCYXDNVKL-ZWKOTPCHSA-N 0 3 317.860 3.830 20 30 DHEDHN C=CCC[C@@H](NCCNC(=O)CC1CCCCC1)c1ccco1 ZINC000513697152 1037083426 /nfs/dbraw/zinc/08/34/26/1037083426.db2.gz KCJQQLMRZPDNNC-QGZVFWFLSA-N 0 3 318.461 3.963 20 30 DHEDHN C[C@@H]1CC[C@@](CO)(NCc2ccc(CC#N)cc2)c2ccccc21 ZINC001198696835 1037100307 /nfs/dbraw/zinc/10/03/07/1037100307.db2.gz XFRIUBUEXMBGGT-IERDGZPVSA-N 0 3 320.436 3.627 20 30 DHEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000911644165 1037162433 /nfs/dbraw/zinc/16/24/33/1037162433.db2.gz ZVGVJLDIPAUNNT-CVEARBPZSA-N 0 3 321.465 3.724 20 30 DHEDHN COCc1cc([C@@H](C)NCc2cccc(C#N)c2)ccc1OC ZINC000193871864 1037299900 /nfs/dbraw/zinc/29/99/00/1037299900.db2.gz ZNHJDPMSLPITMG-CQSZACIVSA-N 0 3 310.397 3.564 20 30 DHEDHN CC[C@H](NCC(=O)Nc1sccc1C#N)c1ccc(C)cc1 ZINC000194014438 1037331547 /nfs/dbraw/zinc/33/15/47/1037331547.db2.gz QBPBGGRZHYJOET-HNNXBMFYSA-N 0 3 313.426 3.608 20 30 DHEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000774992284 1037351472 /nfs/dbraw/zinc/35/14/72/1037351472.db2.gz OWDSRKHRBSFQLA-BEFAXECRSA-N 0 3 324.424 3.730 20 30 DHEDHN CC[C@@H](C)N[C@@H](CNc1cc(F)ccc1C#N)c1ccco1 ZINC001186404815 1037389952 /nfs/dbraw/zinc/38/99/52/1037389952.db2.gz HZJDERIFVZGVJI-WBMJQRKESA-N 0 3 301.365 3.832 20 30 DHEDHN C[C@H]1C[C@H](CN(C)CC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000496136080 1037426126 /nfs/dbraw/zinc/42/61/26/1037426126.db2.gz YEAZTGODWAYOCF-LSDHHAIUSA-N 0 3 323.481 3.504 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3ccccc3F)CC2)cc1 ZINC000763241447 1037525485 /nfs/dbraw/zinc/52/54/85/1037525485.db2.gz LSKAFQGKUSGXKB-FQEVSTJZSA-N 0 3 324.399 3.610 20 30 DHEDHN C[C@@H](NC[C@@H](O)c1c(F)cccc1Cl)c1cccc(C#N)c1 ZINC000776164542 1037641280 /nfs/dbraw/zinc/64/12/80/1037641280.db2.gz JASSYEBJGUZNNL-BDJLRTHQSA-N 0 3 318.779 3.735 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000184924350 1037767359 /nfs/dbraw/zinc/76/73/59/1037767359.db2.gz WRNKANKNEYOJHZ-OLZOCXBDSA-N 0 3 316.832 3.835 20 30 DHEDHN N#Cc1cccc(CNC[C@@H](O)c2cc3ccccc3s2)c1 ZINC000151371604 1037875141 /nfs/dbraw/zinc/87/51/41/1037875141.db2.gz YZZZKFYZACIAOK-MRXNPFEDSA-N 0 3 308.406 3.596 20 30 DHEDHN CCCCCCCN1CCN(c2nccc3occc32)CC1 ZINC001201788116 1037907406 /nfs/dbraw/zinc/90/74/06/1037907406.db2.gz XOKBONNQEQQNPJ-UHFFFAOYSA-N 0 3 301.434 3.920 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)CC(=C)C ZINC000125966515 1037994596 /nfs/dbraw/zinc/99/45/96/1037994596.db2.gz HXVGTTUEYDOKJT-OAHLLOKOSA-N 0 3 306.475 3.549 20 30 DHEDHN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2)C1(C)C ZINC000916900217 1038024077 /nfs/dbraw/zinc/02/40/77/1038024077.db2.gz VHYJYRRTYUZSHF-ARFHVFGLSA-N 0 3 310.397 3.572 20 30 DHEDHN Cc1ccc(CC(=O)C(C#N)c2nc3cc(F)ccc3s2)o1 ZINC000775241394 1038138165 /nfs/dbraw/zinc/13/81/65/1038138165.db2.gz YJJUWCHTSCCUQW-LBPRGKRZSA-N 0 3 314.341 3.756 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1c(CC)cccc1CC ZINC001189788344 1038218209 /nfs/dbraw/zinc/21/82/09/1038218209.db2.gz SLJIVVRABLRZNX-KRWDZBQOSA-N 0 3 315.461 3.583 20 30 DHEDHN CN(C)c1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000775383261 1038311140 /nfs/dbraw/zinc/31/11/40/1038311140.db2.gz VSRSSZOIWATBBD-IBGZPJMESA-N 0 3 323.415 3.931 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001190458126 1038324507 /nfs/dbraw/zinc/32/45/07/1038324507.db2.gz XEMOKZYTXIFRMB-NZSAHSFTSA-N 0 3 301.430 3.641 20 30 DHEDHN CN(C)C[C@H](NC(=O)CCCCCC#N)c1ccc(Cl)cc1 ZINC000588731071 1038334133 /nfs/dbraw/zinc/33/41/33/1038334133.db2.gz VXRKBZHVADJYQO-INIZCTEOSA-N 0 3 321.852 3.533 20 30 DHEDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000775396390 1038339489 /nfs/dbraw/zinc/33/94/89/1038339489.db2.gz WLWZTYQGPLOLCN-QUCCMNQESA-N 0 3 318.424 3.701 20 30 DHEDHN C=CCCCCCN1CCN(Cc2ccccc2OC)CC1 ZINC001190802590 1038386227 /nfs/dbraw/zinc/38/62/27/1038386227.db2.gz VLKFTGCFRFJSCT-UHFFFAOYSA-N 0 3 302.462 3.559 20 30 DHEDHN C#CCSCCNCc1cc(Cl)ccc1Br ZINC000164949991 1038387372 /nfs/dbraw/zinc/38/73/72/1038387372.db2.gz WKUPONVFYNAUEK-UHFFFAOYSA-N 0 3 318.667 3.559 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000589272789 1038456478 /nfs/dbraw/zinc/45/64/78/1038456478.db2.gz WREADEGWAYTRJJ-ROUUACIJSA-N 0 3 312.457 3.877 20 30 DHEDHN C=CCC[C@H](NCC(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC000775463366 1038517318 /nfs/dbraw/zinc/51/73/18/1038517318.db2.gz KXCNFXHGLQPMMJ-SFHVURJKSA-N 0 3 310.397 3.628 20 30 DHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000589945415 1038561435 /nfs/dbraw/zinc/56/14/35/1038561435.db2.gz CNDULHVCTUIUIH-CABCVRRESA-N 0 3 321.424 3.672 20 30 DHEDHN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccc(C2CC2)c1 ZINC000590745426 1038698257 /nfs/dbraw/zinc/69/82/57/1038698257.db2.gz NWJCYQMHPPZPTC-AWEZNQCLSA-N 0 3 319.408 3.725 20 30 DHEDHN Cc1cc(C#N)ccc1CN1CCC(F)(c2ccccn2)CC1 ZINC000590738751 1038701138 /nfs/dbraw/zinc/70/11/38/1038701138.db2.gz VNZFEXWLXGLTJU-UHFFFAOYSA-N 0 3 309.388 3.723 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCc2cccnc21 ZINC000591348977 1038838412 /nfs/dbraw/zinc/83/84/12/1038838412.db2.gz VJGPXBXMBVFUQU-OALUTQOASA-N 0 3 303.409 3.998 20 30 DHEDHN CC(C)c1ncc2c(n1)CCN(CCCCC(C)(C)C#N)C2 ZINC000598936767 1038948619 /nfs/dbraw/zinc/94/86/19/1038948619.db2.gz KDYDSAVIEPRVGO-UHFFFAOYSA-N 0 3 300.450 3.678 20 30 DHEDHN N#Cc1cnccc1S[C@H]1CCCN(Cc2ccccc2)C1 ZINC000591827423 1039013266 /nfs/dbraw/zinc/01/32/66/1039013266.db2.gz CSTKQCZISIJFAV-KRWDZBQOSA-N 0 3 309.438 3.710 20 30 DHEDHN N#C[C@H]1CCC[C@H](N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000599066288 1039021085 /nfs/dbraw/zinc/02/10/85/1039021085.db2.gz TXENJLFYXRGHAY-YYWXWVFPSA-N 0 3 324.346 3.593 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCOC1 ZINC000593674382 1039034488 /nfs/dbraw/zinc/03/44/88/1039034488.db2.gz RACPCCHDACKOAG-AWEZNQCLSA-N 0 3 312.335 3.578 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@H](CCO)c2cc(Cl)cc(Cl)c2)C1 ZINC000599094076 1039040520 /nfs/dbraw/zinc/04/05/20/1039040520.db2.gz ZDJVITCHWRAZPE-WKPIXPDZSA-N 0 3 313.228 3.699 20 30 DHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)cc1 ZINC000592174878 1039141886 /nfs/dbraw/zinc/14/18/86/1039141886.db2.gz HNALBBLVWBOINF-HXUWFJFHSA-N 0 3 318.420 3.718 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000592322918 1039159021 /nfs/dbraw/zinc/15/90/21/1039159021.db2.gz UVQFIYPFRPKWSK-UHFFFAOYSA-N 0 3 315.461 3.972 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)C2CCCCC2)CC1 ZINC000592297497 1039162353 /nfs/dbraw/zinc/16/23/53/1039162353.db2.gz UTMCNVLKGNTORX-GOSISDBHSA-N 0 3 321.509 3.685 20 30 DHEDHN COc1ccc2c(c1)[C@H](NCc1ccc(CC#N)cc1)CCCO2 ZINC000592391602 1039187019 /nfs/dbraw/zinc/18/70/19/1039187019.db2.gz GWCRTCMPKMNJEN-LJQANCHMSA-N 0 3 322.408 3.765 20 30 DHEDHN C=CC[C@H]1CCN(Cc2ccc(C#N)cc2Br)C1 ZINC000599529546 1039201345 /nfs/dbraw/zinc/20/13/45/1039201345.db2.gz NSHKVANSEOJYGU-LBPRGKRZSA-N 0 3 305.219 3.719 20 30 DHEDHN COCCN(Cc1cccc(C#N)c1)Cc1ccc(C)cc1C ZINC000603895372 1039205519 /nfs/dbraw/zinc/20/55/19/1039205519.db2.gz RNPYVQMVJLNTLR-UHFFFAOYSA-N 0 3 308.425 3.824 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000592524131 1039219898 /nfs/dbraw/zinc/21/98/98/1039219898.db2.gz CCWIZQJTIDEGTG-UHFFFAOYSA-N 0 3 321.852 3.729 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N1CCC(c2cccc3ccccc32)CC1 ZINC000058525098 1039234780 /nfs/dbraw/zinc/23/47/80/1039234780.db2.gz MJLDRQUQXBYHKR-MRXNPFEDSA-N 0 3 322.452 3.710 20 30 DHEDHN C=CCc1cc(CN2CC3(CCC3)[C@H]2C2CC2)cc(OC)c1O ZINC000574127938 1039413182 /nfs/dbraw/zinc/41/31/82/1039413182.db2.gz VMDRYVCSDNAZEL-LJQANCHMSA-N 0 3 313.441 3.894 20 30 DHEDHN C=CCCCN(C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000605738769 1039747051 /nfs/dbraw/zinc/74/70/51/1039747051.db2.gz RKWACBSQQJOVBP-QGZVFWFLSA-N 0 3 314.473 3.712 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000594428214 1039784369 /nfs/dbraw/zinc/78/43/69/1039784369.db2.gz XGLVJHBFRBZERS-IBGZPJMESA-N 0 3 321.424 3.631 20 30 DHEDHN CCCCCc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594425479 1039789426 /nfs/dbraw/zinc/78/94/26/1039789426.db2.gz KAGLLYVZKONDDX-QGZVFWFLSA-N 0 3 301.434 3.769 20 30 DHEDHN CCC(C)(C)C1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594425168 1039789830 /nfs/dbraw/zinc/78/98/30/1039789830.db2.gz GCILDYQVTSQSAU-UYSNPLJNSA-N 0 3 307.482 3.509 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000594424444 1039791230 /nfs/dbraw/zinc/79/12/30/1039791230.db2.gz DRPMCPOTWDQQHZ-SFHVURJKSA-N 0 3 323.396 3.829 20 30 DHEDHN CN(C)c1ccccc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594516105 1039821793 /nfs/dbraw/zinc/82/17/93/1039821793.db2.gz WHKWNARZOZDJJP-UHFFFAOYSA-N 0 3 307.441 3.844 20 30 DHEDHN COc1cc(CNC2(c3ccc(C#N)cc3)CCC2)cc(OC)c1 ZINC000594517300 1039824115 /nfs/dbraw/zinc/82/41/15/1039824115.db2.gz APESRFHOZFBJSV-UHFFFAOYSA-N 0 3 322.408 3.744 20 30 DHEDHN Cc1nn(-c2ccccc2Cl)cc1CNCC1(CC#N)CC1 ZINC000594522529 1039831313 /nfs/dbraw/zinc/83/13/13/1039831313.db2.gz LQYCHAQTJXTHPR-UHFFFAOYSA-N 0 3 314.820 3.618 20 30 DHEDHN C[C@@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1cccc(C#N)c1 ZINC000594930353 1039932552 /nfs/dbraw/zinc/93/25/52/1039932552.db2.gz VIEKTOFRKCFDOG-QRWLVFNGSA-N 0 3 322.408 3.577 20 30 DHEDHN COC[C@H](C)Oc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000594930198 1039932741 /nfs/dbraw/zinc/93/27/41/1039932741.db2.gz UEBOUXRCEOUDRM-HOTGVXAUSA-N 0 3 324.424 3.823 20 30 DHEDHN Cc1cc([N+](=O)[O-])ccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594970554 1039946013 /nfs/dbraw/zinc/94/60/13/1039946013.db2.gz XROPOMSLXNHJGW-UHFFFAOYSA-N 0 3 309.369 3.800 20 30 DHEDHN CCCCCN(CC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000059385049 1039967931 /nfs/dbraw/zinc/96/79/31/1039967931.db2.gz PJPZLHQRFYNMRX-UHFFFAOYSA-N 0 3 315.461 3.834 20 30 DHEDHN C=CCCSCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595057726 1040022518 /nfs/dbraw/zinc/02/25/18/1040022518.db2.gz DDKUJVRYAORAPN-LBPRGKRZSA-N 0 3 310.419 3.563 20 30 DHEDHN C[C@H](O)[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595101960 1040067606 /nfs/dbraw/zinc/06/76/06/1040067606.db2.gz GQJKHOBLLYUKIM-PNHOKKKMSA-N 0 3 306.409 3.647 20 30 DHEDHN Cn1ncc2c1CC(C)(C)CN(CCC1(C#N)CCCCC1)C2 ZINC000596597736 1040507546 /nfs/dbraw/zinc/50/75/46/1040507546.db2.gz DZPDCLYYGQEEGG-UHFFFAOYSA-N 0 3 314.477 3.669 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000076737878 1040576911 /nfs/dbraw/zinc/57/69/11/1040576911.db2.gz PHCQFDUJFAWSLM-QGZVFWFLSA-N 0 3 313.445 3.528 20 30 DHEDHN CC[C@H](Cc1ccc(Br)cc1)NCC1(C#N)CC1 ZINC000597121140 1040657017 /nfs/dbraw/zinc/65/70/17/1040657017.db2.gz MZEQUMIYCLSPQP-CQSZACIVSA-N 0 3 307.235 3.664 20 30 DHEDHN N#CC1(c2ccc(CN3CCOCC34CCCCC4)cc2)CC1 ZINC000597143355 1040663758 /nfs/dbraw/zinc/66/37/58/1040663758.db2.gz GQBMYAGIBZRKIC-UHFFFAOYSA-N 0 3 310.441 3.777 20 30 DHEDHN CC(C)(CCC#N)CN1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000597218272 1040690013 /nfs/dbraw/zinc/69/00/13/1040690013.db2.gz ONQYECOOVVKTJE-MRXNPFEDSA-N 0 3 302.418 3.763 20 30 DHEDHN N#Cc1cc(CN2C[C@@H]3CCCC[C@@H]3C2)ccc1Br ZINC001232894348 1040705456 /nfs/dbraw/zinc/70/54/56/1040705456.db2.gz YKPFORTWDJDVNJ-OKILXGFUSA-N 0 3 319.246 3.943 20 30 DHEDHN CCC(CC)[C@@H]1C[C@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602015530 1040850978 /nfs/dbraw/zinc/85/09/78/1040850978.db2.gz LHTHJXJEDBUPPF-QAPCUYQASA-N 0 3 304.409 3.771 20 30 DHEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000602002971 1040853849 /nfs/dbraw/zinc/85/38/49/1040853849.db2.gz CJFHZNGHGTVTPD-PXNSSMCTSA-N 0 3 324.399 3.955 20 30 DHEDHN Cc1cc(C#N)cc(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000456963543 1040977634 /nfs/dbraw/zinc/97/76/34/1040977634.db2.gz KULMXOZWPKPDLP-UHFFFAOYSA-N 0 3 319.408 3.715 20 30 DHEDHN Cc1ncc([C@@H](C)N(Cc2ccc(C#N)cc2)C(C)C)c(C)n1 ZINC000602440270 1041034499 /nfs/dbraw/zinc/03/44/99/1041034499.db2.gz PMWQAMMTPAJMFH-OAHLLOKOSA-N 0 3 308.429 3.937 20 30 DHEDHN C[C@H](CCC#N)CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000602448310 1041035957 /nfs/dbraw/zinc/03/59/57/1041035957.db2.gz DWEDTACSIFCAEQ-MXWKQRLJSA-N 0 3 316.289 3.989 20 30 DHEDHN Cc1cc(CN2CCSCC2)ccc1NC[C@@H](C)CCC#N ZINC000602489601 1041057531 /nfs/dbraw/zinc/05/75/31/1041057531.db2.gz AREXPDZWSMCJPG-HNNXBMFYSA-N 0 3 317.502 3.896 20 30 DHEDHN C[C@H](CCC#N)CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000602488025 1041058191 /nfs/dbraw/zinc/05/81/91/1041058191.db2.gz YNCMYQDGCYTSEQ-BBBLOLIVSA-N 0 3 302.262 3.599 20 30 DHEDHN Cc1cc(-c2noc([C@@H](C)NC[C@H](C)CCC#N)n2)ccc1F ZINC000602641566 1041126515 /nfs/dbraw/zinc/12/65/15/1041126515.db2.gz GEKZICKAOIXVDG-DGCLKSJQSA-N 0 3 316.380 3.775 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000602641544 1041127098 /nfs/dbraw/zinc/12/70/98/1041127098.db2.gz SRBDQADHHHFUDC-MSOLQXFVSA-N 0 3 321.428 3.575 20 30 DHEDHN Cn1c(CN[C@@H]2CCc3cc(C#N)ccc32)cc2ccccc21 ZINC000602641931 1041128786 /nfs/dbraw/zinc/12/87/86/1041128786.db2.gz VTLOORNLUXXDCU-LJQANCHMSA-N 0 3 301.393 3.827 20 30 DHEDHN C[C@@H](CCC#N)CNCc1cc(F)c(F)cc1Br ZINC000602657542 1041144361 /nfs/dbraw/zinc/14/43/61/1041144361.db2.gz ZSSYZTYXTHNKTR-VIFPVBQESA-N 0 3 317.177 3.757 20 30 DHEDHN Cc1cc(CN2CC[C@@H](O)C[C@H]2c2ccccc2)ccc1C#N ZINC000602732234 1041185051 /nfs/dbraw/zinc/18/50/51/1041185051.db2.gz QXIDRZLUFXBNQM-UXHICEINSA-N 0 3 306.409 3.565 20 30 DHEDHN COc1cc(CN2CCC3(CCSCC3)CC2)ccc1C#N ZINC000602737063 1041190573 /nfs/dbraw/zinc/19/05/73/1041190573.db2.gz SQLVILYCLDSTBB-UHFFFAOYSA-N 0 3 316.470 3.676 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907099 1041295130 /nfs/dbraw/zinc/29/51/30/1041295130.db2.gz LEWCKEXWHYQEFJ-HNNXBMFYSA-N 0 3 316.408 3.766 20 30 DHEDHN N#Cc1ccc(C2CCN(C/C=C\c3ccccc3)CC2)nc1 ZINC000602910064 1041295695 /nfs/dbraw/zinc/29/56/95/1041295695.db2.gz CYVDRELOXXMQGD-DAXSKMNVSA-N 0 3 303.409 3.846 20 30 DHEDHN C[C@@H]1C[C@H]1c1ccc(CN(C[C@@H](O)CC(C)(C)C#N)C2CC2)o1 ZINC000598585163 1041347472 /nfs/dbraw/zinc/34/74/72/1041347472.db2.gz VKMJASXXIDRIPU-UKPHBRMFSA-N 0 3 316.445 3.668 20 30 DHEDHN C[C@@H](NCCOc1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000563734321 334973877 /nfs/dbraw/zinc/97/38/77/334973877.db2.gz ZFZAPNCXGJOUAX-LLVKDONJSA-N 0 3 320.314 3.705 20 30 DHEDHN C=CC[C@H](CC)N[C@H](C)c1cc(Br)ncc1F ZINC000281685032 334987271 /nfs/dbraw/zinc/98/72/71/334987271.db2.gz RTHGVBZXVKQSCQ-ZJUUUORDSA-N 0 3 301.203 3.989 20 30 DHEDHN C[C@@H]1CCC[C@@H](C)C1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000182957505 335005223 /nfs/dbraw/zinc/00/52/23/335005223.db2.gz YBAPVOWCEGRAED-CHWSQXEVSA-N 0 3 310.401 3.523 20 30 DHEDHN C=CCC[C@@H](NC1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC000285505073 335026697 /nfs/dbraw/zinc/02/66/97/335026697.db2.gz CVYVTTOEDJAXBN-MRXNPFEDSA-N 0 3 304.434 3.524 20 30 DHEDHN C=CCC[C@H](N[C@@H]1C[C@H](OCC)[C@]12CCCO2)c1ccco1 ZINC000286234863 335030906 /nfs/dbraw/zinc/03/09/06/335030906.db2.gz SYUKNIKQQXHXNA-RANZSIQMSA-N 0 3 305.418 3.603 20 30 DHEDHN C=CCC[C@@H](NC[C@@H](O)c1ccccc1OC)c1ccco1 ZINC000285980818 335031345 /nfs/dbraw/zinc/03/13/45/335031345.db2.gz HPFBXMUTMDEFOE-HZPDHXFCSA-N 0 3 301.386 3.619 20 30 DHEDHN C=CCCCCCN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000193515860 335051326 /nfs/dbraw/zinc/05/13/26/335051326.db2.gz DZPQGSGAXGSDKP-ZDUSSCGKSA-N 0 3 313.438 3.626 20 30 DHEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000184063188 335055159 /nfs/dbraw/zinc/05/51/59/335055159.db2.gz AAOLXJOPHQERAQ-ZIAGYGMSSA-N 0 3 319.474 3.520 20 30 DHEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCO2 ZINC000272257951 130013632 /nfs/dbraw/zinc/01/36/32/130013632.db2.gz LJXBAAAMPWKMNQ-CQSZACIVSA-N 0 3 304.393 3.833 20 30 DHEDHN C[C@H](Nc1nc(Cl)c(C#N)s1)[C@H](c1ccccc1)N(C)C ZINC000287932023 131306783 /nfs/dbraw/zinc/30/67/83/131306783.db2.gz XHMWJKHPLWNOMI-GXFFZTMASA-N 0 3 320.849 3.771 20 30 DHEDHN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000299438242 132105776 /nfs/dbraw/zinc/10/57/76/132105776.db2.gz WMHYDZMDXLPILV-PBHICJAKSA-N 0 3 307.397 3.626 20 30 DHEDHN C=C(C)COCCN[C@@H](C)c1cc(Br)cs1 ZINC000194113871 337081570 /nfs/dbraw/zinc/08/15/70/337081570.db2.gz IUUGACNNPHWPML-JTQLQIEISA-N 0 3 304.253 3.754 20 30 DHEDHN N#Cc1ccc(N[C@@H](CN2CCCCC2)c2ccccc2)nc1 ZINC000610279292 435354757 /nfs/dbraw/zinc/35/47/57/435354757.db2.gz VEOMBCIGBSMAOF-SFHVURJKSA-N 0 3 306.413 3.592 20 30 DHEDHN Cc1nc(NC2CCN([C@@H](C)c3ccccc3)CC2)ccc1C#N ZINC000488049491 435633805 /nfs/dbraw/zinc/63/38/05/435633805.db2.gz MAFHYCSZBTXJFT-INIZCTEOSA-N 0 3 320.440 3.899 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000188401905 331608254 /nfs/dbraw/zinc/60/82/54/331608254.db2.gz APIJDHKKNRMNOP-FQEVSTJZSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CC[C@H](C)[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000298249768 331643400 /nfs/dbraw/zinc/64/34/00/331643400.db2.gz DFXDOEBAYWQPSA-JTQLQIEISA-N 0 3 314.223 3.608 20 30 DHEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000528436998 331644677 /nfs/dbraw/zinc/64/46/77/331644677.db2.gz LCIXVEIBKSLHDQ-LIRRHRJNSA-N 0 3 312.388 3.606 20 30 DHEDHN CCOc1ccccc1OCCN[C@H](C)c1ccc(C#N)cc1 ZINC000132239299 332114207 /nfs/dbraw/zinc/11/42/07/332114207.db2.gz NLAUWEPOTPTOBI-OAHLLOKOSA-N 0 3 310.397 3.687 20 30 DHEDHN C=CCC[C@H](C(=O)NC[C@@H]1CCCCN1CC)c1ccccc1 ZINC000427013940 332164759 /nfs/dbraw/zinc/16/47/59/332164759.db2.gz YGCUSELKXAMHHH-OALUTQOASA-N 0 3 314.473 3.727 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC(OCC2CC2)CC1 ZINC000363759881 332242066 /nfs/dbraw/zinc/24/20/66/332242066.db2.gz QAODVIVCURJPCS-UHFFFAOYSA-N 0 3 312.457 3.879 20 30 DHEDHN C=C(C)CNCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000119620694 332258188 /nfs/dbraw/zinc/25/81/88/332258188.db2.gz FCOVRRNTZUXOOQ-UHFFFAOYSA-N 0 3 304.397 3.600 20 30 DHEDHN CN(C)[C@@H](CNCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000531094434 332258532 /nfs/dbraw/zinc/25/85/32/332258532.db2.gz VYFRFGBHRJXPJX-SFHVURJKSA-N 0 3 313.832 3.604 20 30 DHEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000292908148 335097493 /nfs/dbraw/zinc/09/74/93/335097493.db2.gz VLDZYWGNKSTGNW-AEFFLSMTSA-N 0 3 314.473 3.758 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2c(C)noc2C)c([O-])c1 ZINC000107066527 332263242 /nfs/dbraw/zinc/26/32/42/332263242.db2.gz UGTLHRZAUAOLRL-XDHOZWIPSA-N 0 3 315.417 3.505 20 30 DHEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000292908157 335097551 /nfs/dbraw/zinc/09/75/51/335097551.db2.gz VLDZYWGNKSTGNW-WMZOPIPTSA-N 0 3 314.473 3.758 20 30 DHEDHN CC(C)(C#N)CCN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000119901619 332321533 /nfs/dbraw/zinc/32/15/33/332321533.db2.gz DKAIAXKDPUVPEX-UHFFFAOYSA-N 0 3 308.372 3.748 20 30 DHEDHN CO[C@H](CNCc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000237211931 332323721 /nfs/dbraw/zinc/32/37/21/332323721.db2.gz FZSRABFYXCKOEZ-HXUWFJFHSA-N 0 3 324.424 3.846 20 30 DHEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000237401839 332346941 /nfs/dbraw/zinc/34/69/41/332346941.db2.gz XQDCJZXMNNTZTE-FXAWDEMLSA-N 0 3 322.452 3.580 20 30 DHEDHN CN(CCC#N)c1ccc(CNCc2cc3ccccc3[nH]2)cc1 ZINC000119731307 332377144 /nfs/dbraw/zinc/37/71/44/332377144.db2.gz JXRZOIBWQIBVAT-UHFFFAOYSA-N 0 3 318.424 3.808 20 30 DHEDHN C=CCN(Cc1ccccc1)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000237690860 332384723 /nfs/dbraw/zinc/38/47/23/332384723.db2.gz UDXQSBTUSXFUHT-APWZRJJASA-N 0 3 308.425 3.537 20 30 DHEDHN Cc1ccccc1[C@@H](C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000121312748 332394885 /nfs/dbraw/zinc/39/48/85/332394885.db2.gz XAYQXQQGTKWGQF-QGZVFWFLSA-N 0 3 321.424 3.593 20 30 DHEDHN Cn1c2ccccc2nc1[C@H](NCCCCC#N)c1ccccc1 ZINC000125947466 332453369 /nfs/dbraw/zinc/45/33/69/332453369.db2.gz PEPQRFLTWVCXOJ-LJQANCHMSA-N 0 3 318.424 3.946 20 30 DHEDHN C#CCCOc1ccc(CNc2cccc(CN(C)C)c2)cc1 ZINC000156532058 332472646 /nfs/dbraw/zinc/47/26/46/332472646.db2.gz YOPZLFPTZJPJFD-UHFFFAOYSA-N 0 3 308.425 3.762 20 30 DHEDHN C=C(C)COc1cc(CNCc2ccc(O)cc2)ccc1OC ZINC000101600169 332660046 /nfs/dbraw/zinc/66/00/46/332660046.db2.gz ONBSMFSDWIIYBM-UHFFFAOYSA-N 0 3 313.397 3.646 20 30 DHEDHN CCS[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569813231 332682200 /nfs/dbraw/zinc/68/22/00/332682200.db2.gz AUJDTQPYTTUERN-ZBFHGGJFSA-N 0 3 319.430 3.620 20 30 DHEDHN CN(CCCCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000171031917 333044486 /nfs/dbraw/zinc/04/44/86/333044486.db2.gz LBMZZMPULSZDQT-LSDHHAIUSA-N 0 3 313.228 3.577 20 30 DHEDHN COc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000171768495 333054337 /nfs/dbraw/zinc/05/43/37/333054337.db2.gz SWLXYHHMPICROS-ZDUSSCGKSA-N 0 3 314.360 3.587 20 30 DHEDHN CCN(CCCC(C)(C)C#N)CC(=O)Nc1c(C)cccc1C ZINC000174876025 333092072 /nfs/dbraw/zinc/09/20/72/333092072.db2.gz XDIHNZPARWVOPX-UHFFFAOYSA-N 0 3 315.461 3.894 20 30 DHEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1ccc2c(c1)CCO2 ZINC000180549073 333162923 /nfs/dbraw/zinc/16/29/23/333162923.db2.gz FTIZURLHNSQJHU-LJQANCHMSA-N 0 3 322.408 3.765 20 30 DHEDHN Cc1nc2c(s1)[C@@H](NCc1ccc(OCC#N)cc1)CCC2 ZINC000180552094 333163238 /nfs/dbraw/zinc/16/32/38/333163238.db2.gz FQNGSPCIXJXINB-HNNXBMFYSA-N 0 3 313.426 3.521 20 30 DHEDHN CO[C@@H](CN[C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000181551620 333170239 /nfs/dbraw/zinc/17/02/39/333170239.db2.gz MSYAJGCWKLYWCE-BEFAXECRSA-N 0 3 310.397 3.627 20 30 DHEDHN Cc1ccccc1OCCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000181607055 333170709 /nfs/dbraw/zinc/17/07/09/333170709.db2.gz QTGITVLBRPDVTQ-INIZCTEOSA-N 0 3 310.397 3.627 20 30 DHEDHN COc1cc(F)cc(CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182104686 333175725 /nfs/dbraw/zinc/17/57/25/333175725.db2.gz LZLGZUOBCAFBIM-CYBMUJFWSA-N 0 3 314.360 3.587 20 30 DHEDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185759498 333213654 /nfs/dbraw/zinc/21/36/54/333213654.db2.gz WGTYSFGGGZOHCS-IRXDYDNUSA-N 0 3 308.429 3.661 20 30 DHEDHN COc1ccc(Br)cc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185860122 333215131 /nfs/dbraw/zinc/21/51/31/333215131.db2.gz DGYZMTPNZAIBBQ-FZMZJTMJSA-N 0 3 323.234 3.630 20 30 DHEDHN CCOCCOc1cc(C)ccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185861999 333215303 /nfs/dbraw/zinc/21/53/03/333215303.db2.gz FFWQPMPGEFIXDE-AEFFLSMTSA-N 0 3 316.445 3.582 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@H](OC)C(C)(C)C2)cc1OC ZINC000294919261 335130443 /nfs/dbraw/zinc/13/04/43/335130443.db2.gz FLWUKGRETPEQNW-SFHVURJKSA-N 0 3 319.445 3.507 20 30 DHEDHN Cc1c([C@H](C)NCc2ccc(OCC#N)cc2)cnn1C(C)C ZINC000191355542 333279587 /nfs/dbraw/zinc/27/95/87/333279587.db2.gz JQSJRRUVXOEFMN-AWEZNQCLSA-N 0 3 312.417 3.526 20 30 DHEDHN C[C@@H](O)CCN(C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191512475 333280421 /nfs/dbraw/zinc/28/04/21/333280421.db2.gz AQSQLCQFHPFJFA-GOSISDBHSA-N 0 3 322.452 3.589 20 30 DHEDHN COc1cc(C)c([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000192671004 333291150 /nfs/dbraw/zinc/29/11/50/333291150.db2.gz ATCXHMSIWHAPQK-KKUMJFAQSA-N 0 3 302.418 3.745 20 30 DHEDHN C=CCOc1cccc(CN[C@H]2C[C@@H](CO)c3ccccc32)c1 ZINC000364426277 333313385 /nfs/dbraw/zinc/31/33/85/333313385.db2.gz AURFJJUBQNCNKF-JXFKEZNVSA-N 0 3 309.409 3.562 20 30 DHEDHN C=CCOc1cccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000531206903 333331014 /nfs/dbraw/zinc/33/10/14/333331014.db2.gz HQVIIDNMGYKLPO-SFHVURJKSA-N 0 3 313.445 3.862 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)C1 ZINC000463290191 333370449 /nfs/dbraw/zinc/37/04/49/333370449.db2.gz UXPPGXZRAJBTRB-XFKAJCMBSA-N 0 3 302.393 3.718 20 30 DHEDHN N#Cc1ccc(OCCN2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000521424413 333380080 /nfs/dbraw/zinc/38/00/80/333380080.db2.gz ANKYULFDMKOVPE-LJQANCHMSA-N 0 3 324.399 3.783 20 30 DHEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(SC(C)C)cc2)C1=O ZINC000337188805 333443112 /nfs/dbraw/zinc/44/31/12/333443112.db2.gz RAXBEFYMORYTSE-RHSMWYFYSA-N 0 3 318.486 3.625 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCc2cccc(COCc3ccco3)c2)C1 ZINC000572804300 333473565 /nfs/dbraw/zinc/47/35/65/333473565.db2.gz GDUAWXFWSSYWDN-QAPCUYQASA-N 0 3 310.397 3.778 20 30 DHEDHN Cc1c([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000339067191 333507875 /nfs/dbraw/zinc/50/78/75/333507875.db2.gz HQGGEZCLSQAVLW-JGGQBBKZSA-N 0 3 312.392 3.663 20 30 DHEDHN C=CC[C@H](CC)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412319669 333746891 /nfs/dbraw/zinc/74/68/91/333746891.db2.gz UFWFAMVEWPCYSO-SFHVURJKSA-N 0 3 300.446 3.757 20 30 DHEDHN CC(C)NC(=O)Nc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1 ZINC000414166035 333916290 /nfs/dbraw/zinc/91/62/90/333916290.db2.gz MWPLXVAVYKAUCQ-CQSZACIVSA-N 0 3 316.449 3.807 20 30 DHEDHN CC(C)(CC#N)CN[C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000414166865 333916612 /nfs/dbraw/zinc/91/66/12/333916612.db2.gz OIUSEHODGBZOEY-SJORKVTESA-N 0 3 320.864 3.960 20 30 DHEDHN C=CCC[C@H](NC[C@@H](CO)c1ccc(F)cc1)c1ccco1 ZINC000414287021 333933931 /nfs/dbraw/zinc/93/39/31/333933931.db2.gz JQZVAZKHOYAYHV-RDJZCZTQSA-N 0 3 303.377 3.792 20 30 DHEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cc(C(=O)OC)co1 ZINC000414312219 333937549 /nfs/dbraw/zinc/93/75/49/333937549.db2.gz ZIUULNZVAQXLCT-RHSMWYFYSA-N 0 3 313.397 3.904 20 30 DHEDHN N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000271059402 334017958 /nfs/dbraw/zinc/01/79/58/334017958.db2.gz FNRRDLXNENYHNI-UHFFFAOYSA-N 0 3 306.409 3.886 20 30 DHEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCCCC#N)c2ccccc21 ZINC000273177113 334044003 /nfs/dbraw/zinc/04/40/03/334044003.db2.gz NNSOYSRAKKBWRV-HZPDHXFCSA-N 0 3 315.417 3.591 20 30 DHEDHN Cc1ccnc(N[C@@H](CN2CCCC2)c2ccccc2)c1C#N ZINC000343520622 335174306 /nfs/dbraw/zinc/17/43/06/335174306.db2.gz VAKGZNUJHLPOLS-SFHVURJKSA-N 0 3 306.413 3.511 20 30 DHEDHN N#CCCCN[C@@H]1CCCOc2c(Br)cccc21 ZINC000273323093 334045428 /nfs/dbraw/zinc/04/54/28/334045428.db2.gz ZSMSOEUSFUREOQ-CYBMUJFWSA-N 0 3 309.207 3.556 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2nnc(C)s2)c([O-])c1 ZINC000273453263 334047044 /nfs/dbraw/zinc/04/70/44/334047044.db2.gz DDIKRCIJCVGQJB-JDAJCMJVSA-N 0 3 318.446 3.578 20 30 DHEDHN N#CCc1ccc(CN(Cc2cccc(O)c2)CC2CC2)cc1 ZINC000343532664 335175501 /nfs/dbraw/zinc/17/55/01/335175501.db2.gz FCXNZKMFUFYHGQ-UHFFFAOYSA-N 0 3 306.409 3.870 20 30 DHEDHN CN(CCCCC(C)(C)C#N)C[C@@H]1OCCc2ccccc21 ZINC000277873513 334091524 /nfs/dbraw/zinc/09/15/24/334091524.db2.gz YRZQZEZSHPYWAT-SFHVURJKSA-N 0 3 300.446 3.952 20 30 DHEDHN CCCC1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279206537 334106474 /nfs/dbraw/zinc/10/64/74/334106474.db2.gz BILWYQMUXSYBML-OBONGRFPSA-N 0 3 323.440 3.716 20 30 DHEDHN CCC(CC)CN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279207711 334106534 /nfs/dbraw/zinc/10/65/34/334106534.db2.gz BKNAKDCGAQZSNX-GOSISDBHSA-N 0 3 311.429 3.525 20 30 DHEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2=CCCCCC2)cc1 ZINC000280065730 334114063 /nfs/dbraw/zinc/11/40/63/334114063.db2.gz PYFNAEWBMVSCOA-IBGZPJMESA-N 0 3 321.424 3.637 20 30 DHEDHN N#CC1CCC(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000281460628 334126439 /nfs/dbraw/zinc/12/64/39/334126439.db2.gz AWVYHDSOGRWLBX-UHFFFAOYSA-N 0 3 307.781 3.668 20 30 DHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(OCC2CC2)c(F)c1 ZINC000282244008 334132730 /nfs/dbraw/zinc/13/27/30/334132730.db2.gz JERUVDHTBJLBSP-JGGQBBKZSA-N 0 3 302.393 3.957 20 30 DHEDHN CC(C)c1nn(C)c(Cl)c1CNCC1CCC(C#N)CC1 ZINC000282462028 334134957 /nfs/dbraw/zinc/13/49/57/334134957.db2.gz TZYWJISGJJPGDX-UHFFFAOYSA-N 0 3 308.857 3.616 20 30 DHEDHN CC(C)OC(=O)C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000290388992 334172599 /nfs/dbraw/zinc/17/25/99/334172599.db2.gz IPYZYIPIHDJVHB-SZMVWBNQSA-N 0 3 314.429 3.741 20 30 DHEDHN C[C@H](N[C@@H](C)[C@@H]1OCCc2sccc21)c1cccc(C#N)c1 ZINC000291863734 334182467 /nfs/dbraw/zinc/18/24/67/334182467.db2.gz HSTDEPDELHEEJK-LXIYXOSZSA-N 0 3 312.438 3.973 20 30 DHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000291863736 334182564 /nfs/dbraw/zinc/18/25/64/334182564.db2.gz HSTDEPDELHEEJK-VEVIJQCQSA-N 0 3 312.438 3.973 20 30 DHEDHN CC(C)[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000293208454 334196447 /nfs/dbraw/zinc/19/64/47/334196447.db2.gz ZPZYFRLCXBDXDZ-SFHVURJKSA-N 0 3 300.446 3.735 20 30 DHEDHN Cn1cc2c(n1)CCC[C@H]2N[C@H](CCCC#N)c1ccccc1 ZINC000340444122 334202966 /nfs/dbraw/zinc/20/29/66/334202966.db2.gz CDVKJJKNZJISCX-QZTJIDSGSA-N 0 3 308.429 3.822 20 30 DHEDHN N#CC[C@@H]1CC[C@H](NCc2cc(Br)ccc2F)C1 ZINC000294973649 334214943 /nfs/dbraw/zinc/21/49/43/334214943.db2.gz FYMDPLCYDGNWTR-GWCFXTLKSA-N 0 3 311.198 3.760 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCCN(c3ccccc3Cl)CC2)C1 ZINC000296123393 334230085 /nfs/dbraw/zinc/23/00/85/334230085.db2.gz YOQFNJXSLBHVKC-HUUCEWRRSA-N 0 3 303.837 3.544 20 30 DHEDHN CCOc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc(Cl)c1[O-] ZINC000297527122 334242246 /nfs/dbraw/zinc/24/22/46/334242246.db2.gz XLSALSCAECRIDW-AAEUAGOBSA-N 0 3 308.809 3.616 20 30 DHEDHN CCOc1ccc([C@@H](O)C2CCN([C@@H](C)CCC#N)CC2)cc1 ZINC000298037756 334245745 /nfs/dbraw/zinc/24/57/45/334245745.db2.gz CWXAASOMNHLKIW-HNAYVOBHSA-N 0 3 316.445 3.523 20 30 DHEDHN C=C[C@H](CC(=O)NCCN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000534679540 334323950 /nfs/dbraw/zinc/32/39/50/334323950.db2.gz DFQSYHBIMOUSHL-OKZBNKHCSA-N 0 3 314.473 3.725 20 30 DHEDHN C=C[C@@H](CC(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000534679538 334324066 /nfs/dbraw/zinc/32/40/66/334324066.db2.gz DFQSYHBIMOUSHL-KSZLIROESA-N 0 3 314.473 3.725 20 30 DHEDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000341220834 334419181 /nfs/dbraw/zinc/41/91/81/334419181.db2.gz SPNZZVZTHNMGQU-KSSFIOAISA-N 0 3 307.397 3.626 20 30 DHEDHN Cc1nsc(NC[C@@H](c2ccccc2)N2CCCC2)c1C#N ZINC000341390650 334438252 /nfs/dbraw/zinc/43/82/52/334438252.db2.gz VBIKRVBINSVUHV-INIZCTEOSA-N 0 3 312.442 3.572 20 30 DHEDHN N#Cc1cccc(CCNCc2coc(-c3ccccc3)n2)c1 ZINC000341472092 334451568 /nfs/dbraw/zinc/45/15/68/334451568.db2.gz VFKKDLISBGOTBS-UHFFFAOYSA-N 0 3 303.365 3.546 20 30 DHEDHN C=CC[C@@H](CO)CN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000341890935 334490110 /nfs/dbraw/zinc/49/01/10/334490110.db2.gz UKWUYSGVCXHYJP-ZIAGYGMSSA-N 0 3 302.443 3.645 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N(C)Cc1ccccc1)c1ccccc1 ZINC000341931496 334495911 /nfs/dbraw/zinc/49/59/11/334495911.db2.gz PIXYFLFCAXIPNM-HXUWFJFHSA-N 0 3 322.452 3.942 20 30 DHEDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343708754 335189534 /nfs/dbraw/zinc/18/95/34/335189534.db2.gz LIKBFSFESXDMMD-IRXDYDNUSA-N 0 3 315.461 3.690 20 30 DHEDHN Cc1ccnc(N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)c1C#N ZINC000343805682 335194255 /nfs/dbraw/zinc/19/42/55/335194255.db2.gz ISWQWKHFNNJUKW-YJBOKZPZSA-N 0 3 308.429 3.673 20 30 DHEDHN C[C@H](NCc1cc(-n2ccnc2)cs1)c1ccc(C#N)cc1 ZINC000344137739 335221062 /nfs/dbraw/zinc/22/10/62/335221062.db2.gz WRHXJPRLRPFXAJ-ZDUSSCGKSA-N 0 3 308.410 3.656 20 30 DHEDHN C[C@H](c1ccccc1)N1CC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000344222273 335229928 /nfs/dbraw/zinc/22/99/28/335229928.db2.gz WSFWWRZUZHHKSR-RHSMWYFYSA-N 0 3 311.454 3.545 20 30 DHEDHN CCO[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C12CCCC2 ZINC000344277089 335235544 /nfs/dbraw/zinc/23/55/44/335235544.db2.gz CCNKEQCJDRYPDA-IRXDYDNUSA-N 0 3 302.393 3.525 20 30 DHEDHN Cc1cc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1C#N ZINC000349310278 335661815 /nfs/dbraw/zinc/66/18/15/335661815.db2.gz APMMMLRYVBHYGU-CQSZACIVSA-N 0 3 319.408 3.602 20 30 DHEDHN C=CCC[C@H](C)N[C@H](CCO)c1ccccc1Br ZINC000349724054 335694424 /nfs/dbraw/zinc/69/44/24/335694424.db2.gz SRCUIPZJZRJMSS-SWLSCSKDSA-N 0 3 312.251 3.817 20 30 DHEDHN Cc1cnc([C@H](C)CN[C@H](C)c2ccc(C#N)cc2F)s1 ZINC000349837576 335705189 /nfs/dbraw/zinc/70/51/89/335705189.db2.gz VQYBCRMQPYCXRG-ZYHUDNBSSA-N 0 3 303.406 3.917 20 30 DHEDHN Cc1nc(C2CC2)oc1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000329795331 336082853 /nfs/dbraw/zinc/08/28/53/336082853.db2.gz WHQXFOWOLCXGOD-JHJVBQTASA-N 0 3 319.449 3.531 20 30 DHEDHN Cc1nc2c(cccc2C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)o1 ZINC000329922321 336095464 /nfs/dbraw/zinc/09/54/64/336095464.db2.gz GFMIDENDMSDKNZ-CHWSQXEVSA-N 0 3 315.417 3.561 20 30 DHEDHN COc1ccc(C#N)cc1CN[C@H](CC(F)(F)F)C(C)C ZINC000445904503 338514959 /nfs/dbraw/zinc/51/49/59/338514959.db2.gz QVGKSWVFZWUWGY-CYBMUJFWSA-N 0 3 300.324 3.633 20 30 DHEDHN Cc1ccc(C)c(NC(=O)[C@@H](C)NC[C@H]2CCO[C@@H]2C(C)C)c1 ZINC000330295904 336136769 /nfs/dbraw/zinc/13/67/69/336136769.db2.gz JRBYBCCWXYLFCI-JFIYKMOQSA-N 0 3 318.461 3.931 20 30 DHEDHN C[C@@H]1CC[C@H](NCc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)C1 ZINC000332713865 336179944 /nfs/dbraw/zinc/17/99/44/336179944.db2.gz YVLBGTQTWCILPI-WWGRRREGSA-N 0 3 310.401 3.523 20 30 DHEDHN CC(C)(CO)[C@H](NCc1ccc(CC#N)cc1)c1cccs1 ZINC000351984579 336185901 /nfs/dbraw/zinc/18/59/01/336185901.db2.gz YIXUETNDFPEGAZ-QGZVFWFLSA-N 0 3 314.454 3.664 20 30 DHEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000352138331 336196328 /nfs/dbraw/zinc/19/63/28/336196328.db2.gz XZZMTGUYGYVDMT-SCDSUCTJSA-N 0 3 310.319 3.617 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000352812296 336246060 /nfs/dbraw/zinc/24/60/60/336246060.db2.gz XMXXZSCTIYOIOK-GFCCVEGCSA-N 0 3 300.349 3.562 20 30 DHEDHN COc1ccccc1CC(C)(C)NCc1ccc(C#N)cc1F ZINC000532570034 336256048 /nfs/dbraw/zinc/25/60/48/336256048.db2.gz XZJZCODVYBVUBB-UHFFFAOYSA-N 0 3 312.388 3.817 20 30 DHEDHN CC(C)N(CC(=O)c1cn(CCC#N)c2ccccc12)CC1CC1 ZINC000532666557 336266564 /nfs/dbraw/zinc/26/65/64/336266564.db2.gz HQFHSHLQXNHYEB-UHFFFAOYSA-N 0 3 323.440 3.858 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000532764107 336269949 /nfs/dbraw/zinc/26/99/49/336269949.db2.gz UPBVHPPKKNZING-AWEZNQCLSA-N 0 3 308.381 3.522 20 30 DHEDHN N#Cc1csc(CNCC(c2ccccc2)c2ccccc2)n1 ZINC000352835129 336271831 /nfs/dbraw/zinc/27/18/31/336271831.db2.gz NRPJDOFXMFBNPJ-UHFFFAOYSA-N 0 3 319.433 3.936 20 30 DHEDHN CC(C)SCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352868961 336283929 /nfs/dbraw/zinc/28/39/29/336283929.db2.gz FKNLOLMHDYHQDD-UHFFFAOYSA-N 0 3 302.365 3.808 20 30 DHEDHN C[C@H](NC[C@H](c1ccco1)N1CCCC1)c1cccc(C#N)c1 ZINC000192935624 336285207 /nfs/dbraw/zinc/28/52/07/336285207.db2.gz GMHGSSBMQWILJK-MAUKXSAKSA-N 0 3 309.413 3.639 20 30 DHEDHN Cc1ccc(C2(CNCc3nc(C#N)cs3)CCC2)cc1C ZINC000352871471 336286171 /nfs/dbraw/zinc/28/61/71/336286171.db2.gz OKXKJTFYGLEVTD-UHFFFAOYSA-N 0 3 311.454 3.843 20 30 DHEDHN CCCCN1CCCC[C@H]1CNc1snc(Cl)c1C#N ZINC000301251911 336296890 /nfs/dbraw/zinc/29/68/90/336296890.db2.gz SBDJMCBFYAJPFP-NSHDSACASA-N 0 3 312.870 3.735 20 30 DHEDHN C[C@@H](CNc1ccc(F)cc1C#N)N1CCc2ccccc2C1 ZINC000301343128 336301660 /nfs/dbraw/zinc/30/16/60/336301660.db2.gz GGMBZJSSADXEBC-AWEZNQCLSA-N 0 3 309.388 3.556 20 30 DHEDHN CN(C)[C@@H](CNc1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000301369871 336302976 /nfs/dbraw/zinc/30/29/76/336302976.db2.gz PDYATKCIHGNICQ-KRWDZBQOSA-N 0 3 301.340 3.551 20 30 DHEDHN CN1CCC[C@@H](CNc2ccc(C#N)nc2)[C@H]1c1cccs1 ZINC000301584339 336316567 /nfs/dbraw/zinc/31/65/67/336316567.db2.gz VPXPSYLXLODORG-GUYCJALGSA-N 0 3 312.442 3.510 20 30 DHEDHN CC(=O)c1ccc(C#N)c(NC[C@H](C2CCCCC2)N(C)C)c1 ZINC000302008870 336342764 /nfs/dbraw/zinc/34/27/64/336342764.db2.gz BOBFEFYIGFFEHR-LJQANCHMSA-N 0 3 313.445 3.683 20 30 DHEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ccc(Cl)c(C#N)n1 ZINC000302050188 336345583 /nfs/dbraw/zinc/34/55/83/336345583.db2.gz ZZJBWVGUYWYPJZ-CYBMUJFWSA-N 0 3 314.820 3.539 20 30 DHEDHN CC(=O)c1ccc(C#N)c(N[C@H](C)CN(C)Cc2ccccc2)c1 ZINC000302159143 336351527 /nfs/dbraw/zinc/35/15/27/336351527.db2.gz XPLSORXXTQXNDO-OAHLLOKOSA-N 0 3 321.424 3.693 20 30 DHEDHN Cc1ccc(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nc1C#N ZINC000302610370 336362565 /nfs/dbraw/zinc/36/25/65/336362565.db2.gz DUIKRAHXMOZCEN-WMZOPIPTSA-N 0 3 320.440 3.727 20 30 DHEDHN CCN(CC)[C@@H](CNc1c(C#N)cccc1C#N)c1ccco1 ZINC000302905680 336374049 /nfs/dbraw/zinc/37/40/49/336374049.db2.gz WARAVSZDKGWPQE-INIZCTEOSA-N 0 3 308.385 3.518 20 30 DHEDHN CC[C@H](CC#N)N[C@H]1CCc2cccc(Br)c2C1 ZINC000352915999 336376933 /nfs/dbraw/zinc/37/69/33/336376933.db2.gz QXQCOYZQMQLZND-OLZOCXBDSA-N 0 3 307.235 3.588 20 30 DHEDHN COCCCOc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000352914792 336376704 /nfs/dbraw/zinc/37/67/04/336376704.db2.gz MFTHPWSAKQZBID-UHFFFAOYSA-N 0 3 324.424 3.572 20 30 DHEDHN CCOc1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000353262719 336408839 /nfs/dbraw/zinc/40/88/39/336408839.db2.gz IPMSDWYUPPEXNO-SFHVURJKSA-N 0 3 322.408 3.743 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000356427228 336549468 /nfs/dbraw/zinc/54/94/68/336549468.db2.gz OULKPVOWWQTSHL-XHDPSFHLSA-N 0 3 312.335 3.624 20 30 DHEDHN Cc1c([C@@H](C)N[C@@H]2CCCCc3cc(C#N)ccc32)cnn1C ZINC000360839683 336724056 /nfs/dbraw/zinc/72/40/56/336724056.db2.gz YPYQWWORLJAVHI-BFUOFWGJSA-N 0 3 308.429 3.719 20 30 DHEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cnn(Cc2ccccc2)c1 ZINC000361436443 336756662 /nfs/dbraw/zinc/75/66/62/336756662.db2.gz WHKZRUWRZYILML-IEZWGBDMSA-N 0 3 308.429 3.664 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OCc3ccccn3)cc2)C1 ZINC000361462637 336757568 /nfs/dbraw/zinc/75/75/68/336757568.db2.gz APAQAGCYHSFUIU-MSOLQXFVSA-N 0 3 321.424 3.833 20 30 DHEDHN N#CC1(CN[C@@H]2CCc3cccc(Br)c3C2)CCC1 ZINC000418144965 336896793 /nfs/dbraw/zinc/89/67/93/336896793.db2.gz WCDLUXJFPUIAMZ-CYBMUJFWSA-N 0 3 319.246 3.590 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2/C=C/c2cccs2)cc1 ZINC000375150927 337004546 /nfs/dbraw/zinc/00/45/46/337004546.db2.gz HSRDPWXRIUPQGL-OYEZICKXSA-N 0 3 324.449 3.831 20 30 DHEDHN C[C@H]1N(CC#Cc2cccc(Cl)c2)CCC12CCOCC2 ZINC000375240919 337006451 /nfs/dbraw/zinc/00/64/51/337006451.db2.gz JNULGQFWRIPHDX-OAHLLOKOSA-N 0 3 303.833 3.583 20 30 DHEDHN C[C@H]1N(CC#Cc2ccc(Cl)cc2)CCC12CCOCC2 ZINC000375242996 337006503 /nfs/dbraw/zinc/00/65/03/337006503.db2.gz SNYJDLVBKCJQMH-OAHLLOKOSA-N 0 3 303.833 3.583 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(F)(c2cccnc2)CC1 ZINC000375338855 337008294 /nfs/dbraw/zinc/00/82/94/337008294.db2.gz TYDQTXXMNCGPAB-HNNXBMFYSA-N 0 3 309.388 3.975 20 30 DHEDHN N#Cc1ccc([C@H](O)CN2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000305086456 337013135 /nfs/dbraw/zinc/01/31/35/337013135.db2.gz UMXUAGASFJADID-HXUWFJFHSA-N 0 3 324.399 3.610 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC2(CCC2)C1 ZINC000123098995 337035454 /nfs/dbraw/zinc/03/54/54/337035454.db2.gz OWISVNBTQLTCKW-OAHLLOKOSA-N 0 3 318.486 3.527 20 30 DHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCOCC2)s1 ZINC000378007144 337065017 /nfs/dbraw/zinc/06/50/17/337065017.db2.gz VRUOCMJJPJISFD-SFHVURJKSA-N 0 3 312.438 3.877 20 30 DHEDHN C=CCOc1cccc(CN2CCC[C@@H]2c2cnn(C)c2C)c1 ZINC000378370068 337071050 /nfs/dbraw/zinc/07/10/50/337071050.db2.gz KQGSMANWXHOOKJ-LJQANCHMSA-N 0 3 311.429 3.630 20 30 DHEDHN Cn1cc(CN2C[C@@H]3CCCCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000378501880 337074499 /nfs/dbraw/zinc/07/44/99/337074499.db2.gz ZVIWCGZAAKKGSW-HKUYNNGSSA-N 0 3 320.440 3.723 20 30 DHEDHN C=CCC[C@@H](O)CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360037903 337084249 /nfs/dbraw/zinc/08/42/49/337084249.db2.gz SLDWHHVJMYGRIT-ZBFHGGJFSA-N 0 3 300.402 3.682 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000171740143 337088597 /nfs/dbraw/zinc/08/85/97/337088597.db2.gz WMFHBNJFNVHZQE-UHFFFAOYSA-N 0 3 301.434 3.582 20 30 DHEDHN Cc1sc(NC(=O)CN(C(C)C)C2CCCC2)c(C#N)c1C ZINC000177275866 337156627 /nfs/dbraw/zinc/15/66/27/337156627.db2.gz ACMFUYZWOKUEDH-UHFFFAOYSA-N 0 3 319.474 3.828 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC)c(F)c2)cc1 ZINC000178530039 337163283 /nfs/dbraw/zinc/16/32/83/337163283.db2.gz GRQTZQYBHLQXOB-AWEZNQCLSA-N 0 3 313.372 3.697 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000582789825 337166686 /nfs/dbraw/zinc/16/66/86/337166686.db2.gz DKJFUVLLDRZTIX-YJBOKZPZSA-N 0 3 322.880 3.704 20 30 DHEDHN COc1ccccc1C[C@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000321013641 337170422 /nfs/dbraw/zinc/17/04/22/337170422.db2.gz ABBAFAWBXRKMKT-AWEZNQCLSA-N 0 3 312.388 3.769 20 30 DHEDHN C[C@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(C#N)cc1 ZINC000181035109 337179265 /nfs/dbraw/zinc/17/92/65/337179265.db2.gz WROPKMRDRZUSOE-HNNXBMFYSA-N 0 3 316.408 3.810 20 30 DHEDHN C[C@H](NCc1ccccc1-n1ccnc1)c1cccc(C#N)c1 ZINC000181568986 337183042 /nfs/dbraw/zinc/18/30/42/337183042.db2.gz UJXUMNLDAOBSJS-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN N#CC(C(=O)c1ccc2c(c1)CCC2)c1cnc2ccccc2n1 ZINC000190941452 337291664 /nfs/dbraw/zinc/29/16/64/337291664.db2.gz IYGCUOCLXGGKTB-MRXNPFEDSA-N 0 3 313.360 3.609 20 30 DHEDHN N#CC(C(=O)c1cccc2c1CCC2)c1cnc2ccccc2n1 ZINC000190978608 337291905 /nfs/dbraw/zinc/29/19/05/337291905.db2.gz AODNGGPSLJISQO-INIZCTEOSA-N 0 3 313.360 3.609 20 30 DHEDHN N#Cc1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)cc1F ZINC000192042441 337302258 /nfs/dbraw/zinc/30/22/58/337302258.db2.gz OOEOLQNONALWOG-KRWDZBQOSA-N 0 3 302.393 3.621 20 30 DHEDHN N#Cc1ccc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1F ZINC000192160877 337303424 /nfs/dbraw/zinc/30/34/24/337303424.db2.gz DGKDUVZQBBWQPU-OXQOHEQNSA-N 0 3 324.399 3.955 20 30 DHEDHN CN(CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000583310376 337313535 /nfs/dbraw/zinc/31/35/35/337313535.db2.gz PJPPRWMEZDEUAO-TZMCWYRMSA-N 0 3 312.335 3.708 20 30 DHEDHN CC[C@H](CNCc1cccc(OCc2cccc(C#N)c2)c1)OC ZINC000583722299 337318113 /nfs/dbraw/zinc/31/81/13/337318113.db2.gz QAHZDAZRONUYHQ-LJQANCHMSA-N 0 3 324.424 3.652 20 30 DHEDHN C=C[C@H]1CCCCN1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418487068 337385545 /nfs/dbraw/zinc/38/55/45/337385545.db2.gz KOHSNNXZKUVHJS-RBUKOAKNSA-N 0 3 323.440 3.590 20 30 DHEDHN CCOc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1OC ZINC000047609907 337430692 /nfs/dbraw/zinc/43/06/92/337430692.db2.gz WRYUEPHCQXVXSW-AWEZNQCLSA-N 0 3 310.397 3.816 20 30 DHEDHN N#Cc1ccc(CNCC2(c3ccc(F)cc3F)CC2)cc1F ZINC000421344278 337527652 /nfs/dbraw/zinc/52/76/52/337527652.db2.gz SISIBILHMZQWIA-UHFFFAOYSA-N 0 3 316.326 3.797 20 30 DHEDHN N#Cc1csc(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000527749373 337761237 /nfs/dbraw/zinc/76/12/37/337761237.db2.gz JNIMDBWTFKYVIE-OWCLPIDISA-N 0 3 300.814 3.701 20 30 DHEDHN CCCCN(C(=O)[C@H](N)CCCC#N)[C@@H](CC)c1ccccc1 ZINC000424145295 337770424 /nfs/dbraw/zinc/77/04/24/337770424.db2.gz UUBIMSOXTGSWAQ-MSOLQXFVSA-N 0 3 315.461 3.788 20 30 DHEDHN COc1ccc([C@H](N[C@H]2CCc3ccc(C#N)cc32)C2CC2)cn1 ZINC000528043355 337785594 /nfs/dbraw/zinc/78/55/94/337785594.db2.gz NTAGWSXLXRYOJK-AZUAARDMSA-N 0 3 319.408 3.690 20 30 DHEDHN COc1ccc([C@@H](N[C@@H](C)c2ccc(C#N)cc2)C2CC2)cn1 ZINC000528044169 337785779 /nfs/dbraw/zinc/78/57/79/337785779.db2.gz RTEASGVWNOROIA-DJJJIMSYSA-N 0 3 307.397 3.764 20 30 DHEDHN CC(C)(C)OC(=O)C(C)(C)CCNCc1ccc(C#N)cc1F ZINC000424193039 337805613 /nfs/dbraw/zinc/80/56/13/337805613.db2.gz UUXCFEANLQXXLU-UHFFFAOYSA-N 0 3 320.408 3.545 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000424193634 337805749 /nfs/dbraw/zinc/80/57/49/337805749.db2.gz KKROJDVUGCDJSQ-QWHCGFSZSA-N 0 3 311.341 3.637 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000106339090 337816651 /nfs/dbraw/zinc/81/66/51/337816651.db2.gz HWJWYGMZFZUUAC-FUHWJXTLSA-N 0 3 321.509 3.541 20 30 DHEDHN COc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCCS2 ZINC000424321212 337820282 /nfs/dbraw/zinc/82/02/82/337820282.db2.gz HESRVZZNJANWNG-WOSRLPQWSA-N 0 3 302.443 3.904 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000533309104 337840582 /nfs/dbraw/zinc/84/05/82/337840582.db2.gz BADQSPNDWXPKEJ-WTOJCKNJSA-N 0 3 310.372 3.740 20 30 DHEDHN N#Cc1ccc(CNCCSCc2ccccc2F)c(F)c1 ZINC000533311402 337840738 /nfs/dbraw/zinc/84/07/38/337840738.db2.gz VOXBBNAYGZYEKW-UHFFFAOYSA-N 0 3 318.392 3.859 20 30 DHEDHN C=C[C@H](CC(=O)NC[C@@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000122508252 337920114 /nfs/dbraw/zinc/92/01/14/337920114.db2.gz LGOGHYHFWISVDK-XLIONFOSSA-N 0 3 322.452 3.765 20 30 DHEDHN N#CCCC1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000515174299 337981560 /nfs/dbraw/zinc/98/15/60/337981560.db2.gz JYMZWXQJPYBRFB-UHFFFAOYSA-N 0 3 312.442 3.721 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000516071191 338003581 /nfs/dbraw/zinc/00/35/81/338003581.db2.gz FWXLXTFQVMUFDB-GDBMZVCRSA-N 0 3 320.502 3.850 20 30 DHEDHN C=CCOc1ccccc1CNCCc1ccc(F)cc1F ZINC000516329928 338010895 /nfs/dbraw/zinc/01/08/95/338010895.db2.gz RXWRDPJCXGRQMH-UHFFFAOYSA-N 0 3 303.352 3.862 20 30 DHEDHN COc1ccc(CN(C)[C@H]2CC2(C)C)cc1OCCCC#N ZINC000426578335 338035002 /nfs/dbraw/zinc/03/50/02/338035002.db2.gz HNQMRFSBVSPOMK-KRWDZBQOSA-N 0 3 302.418 3.608 20 30 DHEDHN C=Cc1ccc(CCNC(=O)C(C#N)CCc2ccccc2)cc1 ZINC000428282420 338045482 /nfs/dbraw/zinc/04/54/82/338045482.db2.gz DRHVZHMWYNNRKE-HXUWFJFHSA-N 0 3 318.420 3.761 20 30 DHEDHN C=CCC[C@@H](NCCCNC(=O)c1cccs1)c1ccco1 ZINC000428470055 338054032 /nfs/dbraw/zinc/05/40/32/338054032.db2.gz YJMARSPJUVUSSG-CQSZACIVSA-N 0 3 318.442 3.758 20 30 DHEDHN CC[C@@H](c1ccccc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428785187 338061077 /nfs/dbraw/zinc/06/10/77/338061077.db2.gz QFNZKODPQORDJW-MSOLQXFVSA-N 0 3 307.397 3.558 20 30 DHEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)c1ccccc1 ZINC000428851561 338062372 /nfs/dbraw/zinc/06/23/72/338062372.db2.gz RXUDLVLIWRZOTC-QFBILLFUSA-N 0 3 315.461 3.512 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)[C@H]1OCCc2sccc21 ZINC000429129004 338071428 /nfs/dbraw/zinc/07/14/28/338071428.db2.gz CVDBEZUPGSGIHK-FZKQIMNGSA-N 0 3 312.438 3.606 20 30 DHEDHN Cc1ccc2c(CN(C)Cc3cccc(C#N)c3)ccc(O)c2n1 ZINC000429705625 338087914 /nfs/dbraw/zinc/08/79/14/338087914.db2.gz DBWPFEJDTMXWJA-UHFFFAOYSA-N 0 3 317.392 3.753 20 30 DHEDHN CCCOc1ccc(CNCC2(CC#N)CC2)cc1OCC ZINC000430022312 338093718 /nfs/dbraw/zinc/09/37/18/338093718.db2.gz LNFAQKSPNSJMGP-UHFFFAOYSA-N 0 3 302.418 3.658 20 30 DHEDHN CCOC1(C)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000430097434 338096354 /nfs/dbraw/zinc/09/63/54/338096354.db2.gz QXAJZYHADFZOPK-UHFFFAOYSA-N 0 3 316.445 3.760 20 30 DHEDHN C=CCn1cccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430613231 338109816 /nfs/dbraw/zinc/10/98/16/338109816.db2.gz UTMWBGXKBLJOCA-GFCCVEGCSA-N 0 3 313.426 3.918 20 30 DHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(F)c(Br)c1 ZINC000430751048 338113714 /nfs/dbraw/zinc/11/37/14/338113714.db2.gz RTCATJZSPNZKAY-SNVBAGLBSA-N 0 3 311.198 3.933 20 30 DHEDHN CC(C)N(C(=O)CN[C@@H](CCCC#N)c1ccccc1)C(C)C ZINC000433021693 338176808 /nfs/dbraw/zinc/17/68/08/338176808.db2.gz RVPJKLVRKJZKJG-SFHVURJKSA-N 0 3 315.461 3.657 20 30 DHEDHN C[C@H](CCc1ccccc1)NC(=O)C(C#N)CCc1ccccc1 ZINC000433128155 338182684 /nfs/dbraw/zinc/18/26/84/338182684.db2.gz VWFHWCMZXDTNIB-YLJYHZDGSA-N 0 3 320.436 3.896 20 30 DHEDHN Cc1cnc(C2CCN(Cc3ccc(CC#N)cc3)CC2)s1 ZINC000433161859 338183620 /nfs/dbraw/zinc/18/36/20/338183620.db2.gz YPIQUYLMKPLORF-UHFFFAOYSA-N 0 3 311.454 3.897 20 30 DHEDHN C=CCOc1ccccc1CN1CCC(n2ccc(C)n2)CC1 ZINC000435047916 338230879 /nfs/dbraw/zinc/23/08/79/338230879.db2.gz FEPVAZZHBOTIQM-UHFFFAOYSA-N 0 3 311.429 3.593 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435134229 338232955 /nfs/dbraw/zinc/23/29/55/338232955.db2.gz GNASSZXQBKFZLQ-UHFFFAOYSA-N 0 3 307.397 3.900 20 30 DHEDHN Cc1cccc(C)c1OC[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000435466300 338240964 /nfs/dbraw/zinc/24/09/64/338240964.db2.gz UJTVIGPZQRTIBQ-SJLPKXTDSA-N 0 3 322.408 3.699 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C(F)(F)F)ccc1F ZINC000435729470 338246471 /nfs/dbraw/zinc/24/64/71/338246471.db2.gz ASWOJMQFSRXPLB-ABAIWWIYSA-N 0 3 317.326 3.915 20 30 DHEDHN N#Cc1csc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1 ZINC000435730445 338246631 /nfs/dbraw/zinc/24/66/31/338246631.db2.gz GZFSYSSOTHZNJR-NNUKFRKNSA-N 0 3 304.365 3.934 20 30 DHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(-c2ccccc2)n1 ZINC000435732940 338246854 /nfs/dbraw/zinc/24/68/54/338246854.db2.gz SKHOHVUUCSKBTG-DOTOQJQBSA-N 0 3 314.454 3.881 20 30 DHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(C)cc1Br ZINC000435744637 338247591 /nfs/dbraw/zinc/24/75/91/338247591.db2.gz YGWJGAWNPUISIQ-GOEBONIOSA-N 0 3 324.262 3.828 20 30 DHEDHN CCN(C(=O)C(C)C#N)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000435949378 338253899 /nfs/dbraw/zinc/25/38/99/338253899.db2.gz RJHWZRXTOGRKAS-NWDGAFQWSA-N 0 3 312.335 3.645 20 30 DHEDHN Cc1cc([C@H]2CCCN2C(=O)C(C)C#N)ccc1Br ZINC000435973793 338254726 /nfs/dbraw/zinc/25/47/26/338254726.db2.gz GKRMTCASQQKVMD-SMDDNHRTSA-N 0 3 321.218 3.581 20 30 DHEDHN CC(C#N)C(=O)N1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000438173870 338334843 /nfs/dbraw/zinc/33/48/43/338334843.db2.gz DCAUDSBOWPJDPI-WDMOLILDSA-N 0 3 310.319 3.775 20 30 DHEDHN COc1ccccc1C[C@@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000438181250 338335274 /nfs/dbraw/zinc/33/52/74/338335274.db2.gz UNYVFXYCDXQDHG-MRXNPFEDSA-N 0 3 311.400 3.749 20 30 DHEDHN C[C@@H](Nc1ncc(C#N)cc1Cl)[C@@H](c1ccccc1)N(C)C ZINC000439128379 338361893 /nfs/dbraw/zinc/36/18/93/338361893.db2.gz NGEDLGDNNNKSGB-WBMJQRKESA-N 0 3 314.820 3.710 20 30 DHEDHN CCOC(=O)C[C@](C)(NCc1ccc(C#N)cc1Cl)C(C)C ZINC000439442245 338369616 /nfs/dbraw/zinc/36/96/16/338369616.db2.gz SCWWPMJCXPZJGI-KRWDZBQOSA-N 0 3 322.836 3.669 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)cc1Cl)[C@H]1COc2ccccc21 ZINC000439441371 338369658 /nfs/dbraw/zinc/36/96/58/338369658.db2.gz JLDRMTQJKQNWQA-MLGOLLRUSA-N 0 3 312.800 3.866 20 30 DHEDHN C=CCOc1cccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000440122931 338383692 /nfs/dbraw/zinc/38/36/92/338383692.db2.gz ZEHMPYMPRCUHJL-SFHVURJKSA-N 0 3 314.429 3.597 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccc(C)s1)C(C)C ZINC000440771644 338396940 /nfs/dbraw/zinc/39/69/40/338396940.db2.gz CWUJKOKZGQNHHH-OAHLLOKOSA-N 0 3 321.490 3.877 20 30 DHEDHN COc1cccc(Oc2ccc(CN[C@H]3CC[C@@H](C#N)C3)cn2)c1 ZINC000442713450 338428851 /nfs/dbraw/zinc/42/88/51/338428851.db2.gz WQROXCGYEKODSC-ZBFHGGJFSA-N 0 3 323.396 3.664 20 30 DHEDHN CC[C@H](NCc1ccccc1OCCOC)c1ccc(C#N)cc1 ZINC000447541406 338555494 /nfs/dbraw/zinc/55/54/94/338555494.db2.gz GHOCRZUGSZQKEN-IBGZPJMESA-N 0 3 324.424 3.824 20 30 DHEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000449539811 338635746 /nfs/dbraw/zinc/63/57/46/338635746.db2.gz WYDGDSIPCUAHDA-UYAOXDASSA-N 0 3 324.424 3.656 20 30 DHEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2Cl)[C@H]2CCCO[C@H]21 ZINC000451476995 338736137 /nfs/dbraw/zinc/73/61/37/338736137.db2.gz HCWPNOCNISHUCG-FVQBIDKESA-N 0 3 304.821 3.505 20 30 DHEDHN N#CC[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000453285579 338818775 /nfs/dbraw/zinc/81/87/75/338818775.db2.gz BTXDFLRSWYABBR-UCLAIMLFSA-N 0 3 309.388 3.982 20 30 DHEDHN CO[C@@](C)(CN[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000453323317 338824815 /nfs/dbraw/zinc/82/48/15/338824815.db2.gz PLEUGQNGPIYFIA-UXHICEINSA-N 0 3 306.409 3.697 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453336898 338827045 /nfs/dbraw/zinc/82/70/45/338827045.db2.gz GCQXTXBYMCJPGZ-RLLQIKCJSA-N 0 3 323.440 3.573 20 30 DHEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000453343208 338828064 /nfs/dbraw/zinc/82/80/64/338828064.db2.gz GKOSESANZFHUKE-ZYHUDNBSSA-N 0 3 319.779 3.919 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459595586 339038032 /nfs/dbraw/zinc/03/80/32/339038032.db2.gz XDQXQVZURONVAK-AUUYWEPGSA-N 0 3 314.429 3.673 20 30 DHEDHN COc1cc(CC2CN(CC(C)(C)CCC#N)C2)cc(OC)c1 ZINC000459603220 339038153 /nfs/dbraw/zinc/03/81/53/339038153.db2.gz HFDSAWAEPZCLHK-UHFFFAOYSA-N 0 3 316.445 3.508 20 30 DHEDHN CC(C)(CC#N)CNCc1cccc(OCc2ccccn2)c1 ZINC000459687525 339043101 /nfs/dbraw/zinc/04/31/01/339043101.db2.gz GTJMHZDEAXNSAO-UHFFFAOYSA-N 0 3 309.413 3.690 20 30 DHEDHN N#Cc1ccccc1-c1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000459792204 339048797 /nfs/dbraw/zinc/04/87/97/339048797.db2.gz JETXILNSCFJDPD-ROUUACIJSA-N 0 3 306.434 3.915 20 30 DHEDHN CCN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCOC1 ZINC000463447783 339118202 /nfs/dbraw/zinc/11/82/02/339118202.db2.gz ZSNIHMVMZNXOLI-IBGZPJMESA-N 0 3 306.409 3.836 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000464647876 339147719 /nfs/dbraw/zinc/14/77/19/339147719.db2.gz CCYJGHQTEKUVNX-OAHLLOKOSA-N 0 3 322.880 3.833 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)CC[C@@H]1C)C(C)C ZINC000465539343 339179037 /nfs/dbraw/zinc/17/90/37/339179037.db2.gz CVZHKYYFVGMHMS-FGTMMUONSA-N 0 3 321.509 3.515 20 30 DHEDHN C=CC[C@H](CC)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000466385527 339201769 /nfs/dbraw/zinc/20/17/69/339201769.db2.gz GNYXMLYJKPDKPF-NSHDSACASA-N 0 3 308.788 3.504 20 30 DHEDHN C=CCOc1ccccc1CNC[C@@H](CO)CC1CCCC1 ZINC000466416431 339203565 /nfs/dbraw/zinc/20/35/65/339203565.db2.gz JYDNSWOHZORKIR-KRWDZBQOSA-N 0 3 303.446 3.530 20 30 DHEDHN CC/C=C/CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000466824596 339218294 /nfs/dbraw/zinc/21/82/94/339218294.db2.gz SMYHOVHBPMNTRI-ONEGZZNKSA-N 0 3 320.440 3.585 20 30 DHEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000467294574 339230088 /nfs/dbraw/zinc/23/00/88/339230088.db2.gz AISMUUKFNNPINU-HOTGVXAUSA-N 0 3 310.441 3.913 20 30 DHEDHN COCCN(Cc1ccc(F)c(C#N)c1)[C@@H](C)c1ccccc1 ZINC000468268899 339258258 /nfs/dbraw/zinc/25/82/58/339258258.db2.gz CXSNOMFRLYSDMT-HNNXBMFYSA-N 0 3 312.388 3.907 20 30 DHEDHN C[C@@H](N[C@H]1CCCC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000472609488 339375004 /nfs/dbraw/zinc/37/50/04/339375004.db2.gz JVQQMQDFMDXNGT-ABAIWWIYSA-N 0 3 319.836 3.707 20 30 DHEDHN C=CCC[C@H](CC)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000475573363 339456143 /nfs/dbraw/zinc/45/61/43/339456143.db2.gz HVWDGVQQBZPTBK-GXTWGEPZSA-N 0 3 317.351 3.953 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCCCC3)O2)c(F)c1 ZINC000480462770 339573813 /nfs/dbraw/zinc/57/38/13/339573813.db2.gz DFIFBZHWVHWLJL-INIZCTEOSA-N 0 3 302.393 3.669 20 30 DHEDHN CC(C)(C)CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000496950610 340016842 /nfs/dbraw/zinc/01/68/42/340016842.db2.gz KQJNDLZMHQJMOC-UHFFFAOYSA-N 0 3 322.456 3.665 20 30 DHEDHN C=CCN1CC[C@@H](N[C@@H](c2cccs2)C(CC)CC)C1=O ZINC000499602095 340040648 /nfs/dbraw/zinc/04/06/48/340040648.db2.gz JIFMQEGGPHNOIK-GDBMZVCRSA-N 0 3 306.475 3.602 20 30 DHEDHN C=CCOc1ccccc1CNCCN1CCCC[C@H]1CC ZINC000500885524 340069180 /nfs/dbraw/zinc/06/91/80/340069180.db2.gz DLUPMJAYEGMVOQ-GOSISDBHSA-N 0 3 302.462 3.606 20 30 DHEDHN COc1cc(C#N)ccc1CN1CCC(c2ccccc2)CC1 ZINC000501251451 340077258 /nfs/dbraw/zinc/07/72/58/340077258.db2.gz CWAPIEKWPOYNQQ-UHFFFAOYSA-N 0 3 306.409 3.946 20 30 DHEDHN N#Cc1ccc(OCCN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000506202257 340188564 /nfs/dbraw/zinc/18/85/64/340188564.db2.gz GESBVMASVPKKJU-SFHVURJKSA-N 0 3 312.800 3.868 20 30 DHEDHN C=CCCN(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000516600188 340191882 /nfs/dbraw/zinc/19/18/82/340191882.db2.gz UETPKEFBCAYCFV-CQSZACIVSA-N 0 3 321.770 3.684 20 30 DHEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)N1CCCCCC1 ZINC000510401556 340298216 /nfs/dbraw/zinc/29/82/16/340298216.db2.gz IBSGHRVFRNWHAC-MRXNPFEDSA-N 0 3 318.436 3.605 20 30 DHEDHN C=CCCC1(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000510546532 340302285 /nfs/dbraw/zinc/30/22/85/340302285.db2.gz IUHJDOCNTJENRH-WMZOPIPTSA-N 0 3 314.473 3.849 20 30 DHEDHN Cc1c(C#N)cccc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000511261569 340324591 /nfs/dbraw/zinc/32/45/91/340324591.db2.gz YVJYRLJNNYKNKN-UHFFFAOYSA-N 0 3 318.380 3.645 20 30 DHEDHN CC(C)C[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000512287768 340355512 /nfs/dbraw/zinc/35/55/12/340355512.db2.gz JXHUYJPSKUCFPZ-VNQPRFMTSA-N 0 3 304.409 3.942 20 30 DHEDHN CC(C)C[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000512287701 340355521 /nfs/dbraw/zinc/35/55/21/340355521.db2.gz JXHUYJPSKUCFPZ-NUEKZKHPSA-N 0 3 304.409 3.942 20 30 DHEDHN C=CCOc1ccc(CNCC2=Cc3ccccc3OC2)cc1 ZINC000512579815 340367815 /nfs/dbraw/zinc/36/78/15/340367815.db2.gz XFCIICXOJIQJSQ-UHFFFAOYSA-N 0 3 307.393 3.817 20 30 DHEDHN C[C@H](NC[C@@H]1CCOc2ccccc21)c1ccc(C#N)cc1F ZINC000512621204 340369438 /nfs/dbraw/zinc/36/94/38/340369438.db2.gz VIYIVRBPVPZZOH-ZFWWWQNUSA-N 0 3 310.372 3.914 20 30 DHEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512621563 340369461 /nfs/dbraw/zinc/36/94/61/340369461.db2.gz ZIJRXUQIHWJDRO-KZULUSFZSA-N 0 3 316.351 3.875 20 30 DHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000512659594 340371654 /nfs/dbraw/zinc/37/16/54/340371654.db2.gz IJACOLIXSLCKJP-STQMWFEESA-N 0 3 316.351 3.955 20 30 DHEDHN C[C@H](NC[C@@H](CCO)c1ccccc1)c1ccc(C#N)cc1F ZINC000512666124 340372124 /nfs/dbraw/zinc/37/21/24/340372124.db2.gz IYDQSJHMXJKHEP-WMLDXEAASA-N 0 3 312.388 3.514 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N([C@@H](C)[C@H](C)CC)C2CC2)CC1 ZINC000175474415 340413962 /nfs/dbraw/zinc/41/39/62/340413962.db2.gz PQVKWBSAMVBNAB-CVEARBPZSA-N 0 3 321.509 3.636 20 30 DHEDHN C=CCSCCNCc1cccc(F)c1Br ZINC000231944302 340627874 /nfs/dbraw/zinc/62/78/74/340627874.db2.gz UVDXTZWCKNGSIT-UHFFFAOYSA-N 0 3 304.228 3.597 20 30 DHEDHN CC(C)C1CCC(N2CCN(CCC(C)(C)C#N)CC2)CC1 ZINC000540687795 340941613 /nfs/dbraw/zinc/94/16/13/340941613.db2.gz QTNVIJXDAWOGBZ-UHFFFAOYSA-N 0 3 305.510 3.759 20 30 DHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)Oc1cccc(F)c1 ZINC000540706421 340942302 /nfs/dbraw/zinc/94/23/02/340942302.db2.gz AJMOJKAFEIOHRD-OLZOCXBDSA-N 0 3 316.351 3.955 20 30 DHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000541688586 340980451 /nfs/dbraw/zinc/98/04/51/340980451.db2.gz SDYKCNRALHETJO-WTOJCKNJSA-N 0 3 310.372 3.740 20 30 DHEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CC=CCC1 ZINC000542248643 341001858 /nfs/dbraw/zinc/00/18/58/341001858.db2.gz UQKQJUUKDWJXHJ-ZDUSSCGKSA-N 0 3 306.356 3.948 20 30 DHEDHN C=CCN(Cc1ccc(OCC(F)(F)F)c(F)c1)C1CC1 ZINC000543620745 341051385 /nfs/dbraw/zinc/05/13/85/341051385.db2.gz KNCCMELEAYXMKV-UHFFFAOYSA-N 0 3 303.299 3.917 20 30 DHEDHN CCOC(=O)CCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543873234 341062185 /nfs/dbraw/zinc/06/21/85/341062185.db2.gz QJIMOOLKOPDQKA-OAHLLOKOSA-N 0 3 322.408 3.829 20 30 DHEDHN COC(=O)CCCN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870958 341062230 /nfs/dbraw/zinc/06/22/30/341062230.db2.gz JQEGTRRESOZIJK-OAHLLOKOSA-N 0 3 322.408 3.829 20 30 DHEDHN Cc1ccnc(NC[C@H](c2ccc(Cl)cc2)N(C)C)c1C#N ZINC000544063221 341068724 /nfs/dbraw/zinc/06/87/24/341068724.db2.gz SVNBEYDIQMZJLT-MRXNPFEDSA-N 0 3 314.820 3.630 20 30 DHEDHN N#CCc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000544142878 341071935 /nfs/dbraw/zinc/07/19/35/341071935.db2.gz DFRRGZYIVBJCAH-GOSISDBHSA-N 0 3 320.392 3.818 20 30 DHEDHN CCc1ccc([C@H](CNc2nccc(C)c2C#N)N(C)C)cc1 ZINC000544150634 341072265 /nfs/dbraw/zinc/07/22/65/341072265.db2.gz SMHWSPSQCCJDIX-SFHVURJKSA-N 0 3 308.429 3.539 20 30 DHEDHN C=CCC[C@H](C)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000544605527 341088401 /nfs/dbraw/zinc/08/84/01/341088401.db2.gz ANTNPLSBENWMQT-QGTPRVQTSA-N 0 3 322.880 3.656 20 30 DHEDHN N#CC(C(=O)c1ccccc1OC1CCCCC1)c1ccncn1 ZINC000544816334 341094753 /nfs/dbraw/zinc/09/47/53/341094753.db2.gz NINDXTASLVOHSL-MRXNPFEDSA-N 0 3 321.380 3.678 20 30 DHEDHN OCC[C@@H](NCC#Cc1ccccc1Cl)C1CCCCC1 ZINC000544894557 341097643 /nfs/dbraw/zinc/09/76/43/341097643.db2.gz YWCSEJRSJJJTII-GOSISDBHSA-N 0 3 305.849 3.612 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000072925113 341110875 /nfs/dbraw/zinc/11/08/75/341110875.db2.gz HXSFXHXJSSMOGD-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN CO[C@@H](CNCc1cccc(OCCCC#N)c1)C(C)(C)C ZINC000072925186 341110995 /nfs/dbraw/zinc/11/09/95/341110995.db2.gz NLDRZUQMODJWKC-KRWDZBQOSA-N 0 3 304.434 3.520 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1c(C)cccc1C ZINC000546935183 341187469 /nfs/dbraw/zinc/18/74/69/341187469.db2.gz DTDZUCUYWFGLHC-IAGOWNOFSA-N 0 3 302.462 3.767 20 30 DHEDHN C=C(C)COCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000134505193 341216539 /nfs/dbraw/zinc/21/65/39/341216539.db2.gz URPRSVTWFKRMQM-UHFFFAOYSA-N 0 3 316.357 3.537 20 30 DHEDHN C=C(C)COCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000134505218 341216629 /nfs/dbraw/zinc/21/66/29/341216629.db2.gz WMNLLCVNZZWQMU-UHFFFAOYSA-N 0 3 316.357 3.537 20 30 DHEDHN COc1ccc(CN(Cc2ccc(OC)c(C#N)c2)C2CC2)cc1 ZINC000134955228 341227233 /nfs/dbraw/zinc/22/72/33/341227233.db2.gz CAMTWBGXHMYENI-UHFFFAOYSA-N 0 3 322.408 3.740 20 30 DHEDHN CCCCN1CCCC[C@H]1CNc1ncc(C#N)cc1Cl ZINC000078650296 341245648 /nfs/dbraw/zinc/24/56/48/341245648.db2.gz TWPMTVQLXQVUBP-AWEZNQCLSA-N 0 3 306.841 3.673 20 30 DHEDHN N#Cc1cccc(CN2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000079502716 341260315 /nfs/dbraw/zinc/26/03/15/341260315.db2.gz RKKYVZPWMMEYEM-OAQYLSRUSA-N 0 3 320.436 3.782 20 30 DHEDHN COC[C@@H](CC(C)C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000548523172 341265723 /nfs/dbraw/zinc/26/57/23/341265723.db2.gz XSQWKLLPYOEQAO-MRXNPFEDSA-N 0 3 313.363 3.708 20 30 DHEDHN N#Cc1cccc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000080342036 341273097 /nfs/dbraw/zinc/27/30/97/341273097.db2.gz CROIWPAUISLZRE-QGZVFWFLSA-N 0 3 311.816 3.580 20 30 DHEDHN N#Cc1ccc(CNCC[C@H](c2ccccc2)C(F)(F)F)o1 ZINC000550226475 341313043 /nfs/dbraw/zinc/31/30/43/341313043.db2.gz AZEPHGRACTVZON-OAHLLOKOSA-N 0 3 308.303 3.977 20 30 DHEDHN COc1cc(C)c([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000248744379 341385585 /nfs/dbraw/zinc/38/55/85/341385585.db2.gz ATCXHMSIWHAPQK-RRFJBIMHSA-N 0 3 302.418 3.745 20 30 DHEDHN C=CCOCCN[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000555525136 341484065 /nfs/dbraw/zinc/48/40/65/341484065.db2.gz WULLMSDTTAFINV-OAHLLOKOSA-N 0 3 315.335 3.829 20 30 DHEDHN C=CCN(Cc1ccccc1)C(=O)Nc1cccc2c1CCNC2 ZINC000565763364 341537601 /nfs/dbraw/zinc/53/76/01/341537601.db2.gz SFLYKVCIJMSHBQ-UHFFFAOYSA-N 0 3 321.424 3.552 20 30 DHEDHN CN(CCOCc1ccc(C#N)cc1)c1ccnc2ccccc21 ZINC000566995817 341573607 /nfs/dbraw/zinc/57/36/07/341573607.db2.gz XORMIGYWKYPUDK-UHFFFAOYSA-N 0 3 317.392 3.759 20 30 DHEDHN CC[C@@H](CNCc1ccc(C#N)o1)Oc1ccccc1Cl ZINC000176991108 341909740 /nfs/dbraw/zinc/90/97/40/341909740.db2.gz WTEKORLBBGOUIS-LBPRGKRZSA-N 0 3 304.777 3.752 20 30 DHEDHN CN(C)[C@@H](CNCc1cc(C#N)cs1)c1ccccc1Cl ZINC000177680844 341923531 /nfs/dbraw/zinc/92/35/31/341923531.db2.gz YAGLHOGGLKQKBG-INIZCTEOSA-N 0 3 319.861 3.666 20 30 DHEDHN N#Cc1csc(CNC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000177680642 341923618 /nfs/dbraw/zinc/92/36/18/341923618.db2.gz NHLMNXZCVGXLJT-MRXNPFEDSA-N 0 3 315.442 3.530 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](NCCOc1ccccc1Cl)CC2 ZINC000577905379 341947769 /nfs/dbraw/zinc/94/77/69/341947769.db2.gz WHRLDTMDSHGSCY-QGZVFWFLSA-N 0 3 312.800 3.868 20 30 DHEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)C1(C#N)CCCC1 ZINC000163402642 518188796 /nfs/dbraw/zinc/18/87/96/518188796.db2.gz JLBYJLJUBFDKNY-UHFFFAOYSA-N 0 3 311.429 3.613 20 30 DHEDHN N#Cc1ccc(OCCN[C@H]2CCc3c2cccc3Cl)cc1 ZINC000537988031 518196658 /nfs/dbraw/zinc/19/66/58/518196658.db2.gz PZQLYDVSOXHTFW-SFHVURJKSA-N 0 3 312.800 3.868 20 30 DHEDHN CC(C)COc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000191317977 519763868 /nfs/dbraw/zinc/76/38/68/519763868.db2.gz VIHRTKLHMSUUDX-HNNXBMFYSA-N 0 3 311.429 3.782 20 30 DHEDHN CCN(CC)Cc1cccc(NC(=O)c2cccc(C#N)c2C)c1 ZINC000337973688 520758644 /nfs/dbraw/zinc/75/86/44/520758644.db2.gz DQRPUWIENGFNRC-UHFFFAOYSA-N 0 3 321.424 3.961 20 30 DHEDHN CC(C)(C)C1=CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000340191362 534541019 /nfs/dbraw/zinc/54/10/19/534541019.db2.gz LYCCSOGKFCJPNV-UHFFFAOYSA-N 0 3 311.429 3.565 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)CCCN2C)c1cccc(C#N)c1 ZINC000181628525 525530648 /nfs/dbraw/zinc/53/06/48/525530648.db2.gz KZHOXRFVUDWWPV-OAHLLOKOSA-N 0 3 305.425 3.791 20 30 DHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000339424421 525533797 /nfs/dbraw/zinc/53/37/97/525533797.db2.gz ZCGAIPWMBDMYLR-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN COc1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CCS2 ZINC000191493730 525588314 /nfs/dbraw/zinc/58/83/14/525588314.db2.gz BVZFIAMFSKPOEG-QGZVFWFLSA-N 0 3 310.422 3.894 20 30 DHEDHN N#Cc1ccc(-c2cnc(CN3C[C@@H]4CCCC[C@H]4C3)o2)cc1 ZINC000364227901 526583150 /nfs/dbraw/zinc/58/31/50/526583150.db2.gz BROAEOHIQIUNDO-IRXDYDNUSA-N 0 3 307.397 3.835 20 30 DHEDHN N#Cc1ccc(CN2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000237853232 526609956 /nfs/dbraw/zinc/60/99/56/526609956.db2.gz NDLQXXUSCKMLPL-UHFFFAOYSA-N 0 3 309.388 3.774 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)s1 ZINC000182698413 526626145 /nfs/dbraw/zinc/62/61/45/526626145.db2.gz NWHWXNYNKACWRI-HOTGVXAUSA-N 0 3 320.364 3.518 20 30 DHEDHN N#Cc1cccc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000267439526 526704169 /nfs/dbraw/zinc/70/41/69/526704169.db2.gz HMSQIIVYNCPYSC-DLBZAZTESA-N 0 3 312.438 3.708 20 30 DHEDHN COCCCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000285175683 536618896 /nfs/dbraw/zinc/61/88/96/536618896.db2.gz RBJGBRRMTOLKGI-MRXNPFEDSA-N 0 3 324.424 3.824 20 30 DHEDHN C=CCCCCN1Cc2cn(CC3CC3)nc2[C@@H](COCC)C1 ZINC001209200054 1013080953 /nfs/dbraw/zinc/08/09/53/1013080953.db2.gz FTISKXGGIHIBCD-GOSISDBHSA-N 0 3 317.477 3.585 20 30 DHEDHN CC(C)(CCC#N)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000127797362 1013450207 /nfs/dbraw/zinc/45/02/07/1013450207.db2.gz XGIMSYUDMNABBA-UHFFFAOYSA-N 0 3 305.853 3.792 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@]3(CCCc4ccccc43)C2)nc1 ZINC000519769157 1013600459 /nfs/dbraw/zinc/60/04/59/1013600459.db2.gz YPZLEBDJWJOPPF-OAQYLSRUSA-N 0 3 317.436 3.823 20 30 DHEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1nc2ccccc2[nH]1 ZINC000120957378 1013612821 /nfs/dbraw/zinc/61/28/21/1013612821.db2.gz FEQOGVOIVKPBBJ-RRFJBIMHSA-N 0 3 301.349 3.543 20 30 DHEDHN CCN(CCc1cccs1)Cc1cn2ccccc2c1C#N ZINC000519906044 1013619916 /nfs/dbraw/zinc/61/99/16/1013619916.db2.gz CYTGYKOOANCPSP-UHFFFAOYSA-N 0 3 309.438 3.937 20 30 DHEDHN Cc1noc2ncc(CN[C@H]3CCCc4cc(C#N)ccc43)cc12 ZINC000895026610 1013780805 /nfs/dbraw/zinc/78/08/05/1013780805.db2.gz XEVVGXNKHUHDGX-SFHVURJKSA-N 0 3 318.380 3.570 20 30 DHEDHN CCN1CCCC[C@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC000328770497 1013796763 /nfs/dbraw/zinc/79/67/63/1013796763.db2.gz RBOFJBCSDMYNCZ-AWEZNQCLSA-N 0 3 305.422 3.511 20 30 DHEDHN CC(C)[C@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000610369637 1013999200 /nfs/dbraw/zinc/99/92/00/1013999200.db2.gz KSMCZYYXANOLQQ-INIZCTEOSA-N 0 3 324.428 3.866 20 30 DHEDHN C=C(C)CN(CC)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000056267412 1014267693 /nfs/dbraw/zinc/26/76/93/1014267693.db2.gz VQPLDGCPGGHREQ-UHFFFAOYSA-N 0 3 300.446 3.711 20 30 DHEDHN C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])C(C)C ZINC000783499140 1014542271 /nfs/dbraw/zinc/54/22/71/1014542271.db2.gz LTJHDCWNQLNECP-FUHWJXTLSA-N 0 3 302.462 3.741 20 30 DHEDHN N#CC(C(=O)c1ccncc1Oc1ccccc1)c1ccccn1 ZINC000442097783 1014629321 /nfs/dbraw/zinc/62/93/21/1014629321.db2.gz XVIBBYXGESSZAU-MRXNPFEDSA-N 0 3 315.332 3.759 20 30 DHEDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2OC)C1 ZINC000121091428 1014925244 /nfs/dbraw/zinc/92/52/44/1014925244.db2.gz WUNUCZVMFSQULC-JKSUJKDBSA-N 0 3 304.459 3.673 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000073012171 1014950215 /nfs/dbraw/zinc/95/02/15/1014950215.db2.gz UFNBGBMMOGUMPG-GOSISDBHSA-N 0 3 305.381 3.529 20 30 DHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CCC1 ZINC000933301024 1014974339 /nfs/dbraw/zinc/97/43/39/1014974339.db2.gz IQWMSUGSQMDGJV-AWEZNQCLSA-N 0 3 318.848 3.819 20 30 DHEDHN C=CCOCCCNCc1nc(-c2cccc(OC)c2)cs1 ZINC000895379312 1015113038 /nfs/dbraw/zinc/11/30/38/1015113038.db2.gz VKMJPWWTUXCNRY-UHFFFAOYSA-N 0 3 318.442 3.501 20 30 DHEDHN N#Cc1ccc(OCCN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025360094 1015250081 /nfs/dbraw/zinc/25/00/81/1015250081.db2.gz ROKTWGJGCARWGX-LJQANCHMSA-N 0 3 310.372 3.913 20 30 DHEDHN C[C@@]1(CNCc2cccc(F)c2C#N)CCOC2(CCC2)C1 ZINC000895823008 1015316947 /nfs/dbraw/zinc/31/69/47/1015316947.db2.gz QJTZWAIVMWMMCV-QGZVFWFLSA-N 0 3 302.393 3.526 20 30 DHEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H](C4CCCC4)C3)o2)cc1 ZINC000562933685 1015645067 /nfs/dbraw/zinc/64/50/67/1015645067.db2.gz PRCNRKLHIJZJLX-QGZVFWFLSA-N 0 3 322.412 3.620 20 30 DHEDHN COC[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000341659734 1015645759 /nfs/dbraw/zinc/64/57/59/1015645759.db2.gz QHYIAGZITNRJBB-WOJBJXKFSA-N 0 3 306.409 3.913 20 30 DHEDHN CC(C)(C#N)CCCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610604770 1015664003 /nfs/dbraw/zinc/66/40/03/1015664003.db2.gz KXLPSWAEQBYSJE-NXEZZACHSA-N 0 3 316.289 3.989 20 30 DHEDHN Cn1cc(CNC(C)(C)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000276971470 1015782926 /nfs/dbraw/zinc/78/29/26/1015782926.db2.gz POEXDPLYISGRJF-UHFFFAOYSA-N 0 3 321.346 3.940 20 30 DHEDHN C=CCC[C@H](NCC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000341937045 1015852795 /nfs/dbraw/zinc/85/27/95/1015852795.db2.gz BDLFXZMIBDEJFS-IBGZPJMESA-N 0 3 308.425 3.947 20 30 DHEDHN COC(=O)C(C)(C)[C@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000610908904 1015938452 /nfs/dbraw/zinc/93/84/52/1015938452.db2.gz YILHNUJBNBTYGM-GOSISDBHSA-N 0 3 322.408 3.588 20 30 DHEDHN N#CCC1(CN[C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000926343169 1016177812 /nfs/dbraw/zinc/17/78/12/1016177812.db2.gz DLJFTDIOMRIJIB-AWEZNQCLSA-N 0 3 320.234 3.505 20 30 DHEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CC[C@@H]1CCCO1 ZINC000342568696 1016779402 /nfs/dbraw/zinc/77/94/02/1016779402.db2.gz MGXXHTQLGCYVAB-INIZCTEOSA-N 0 3 311.347 3.558 20 30 DHEDHN N#Cc1csc(CNCCOCc2ccc(Cl)cc2)c1 ZINC000158520108 1016931922 /nfs/dbraw/zinc/93/19/22/1016931922.db2.gz VJZSSDJCUPQEKF-UHFFFAOYSA-N 0 3 306.818 3.580 20 30 DHEDHN C=C(C)CNCc1cn(-c2cccc(Br)c2)nc1C ZINC000655770406 1032171805 /nfs/dbraw/zinc/17/18/05/1032171805.db2.gz JPUTVKZWNVOTML-UHFFFAOYSA-N 0 3 320.234 3.609 20 30 DHEDHN CC(C)n1cc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000772960731 1032199571 /nfs/dbraw/zinc/19/95/71/1032199571.db2.gz VKBFODKFWPJUAL-CABCVRRESA-N 0 3 312.417 3.778 20 30 DHEDHN C=CCn1c(C)cc(C(=O)CN(C)C(C2CC2)C2CC2)c1C ZINC000362229302 1032280016 /nfs/dbraw/zinc/28/00/16/1032280016.db2.gz QJQUWBWOKHYWID-UHFFFAOYSA-N 0 3 300.446 3.594 20 30 DHEDHN C#CCOc1ccccc1CN[C@@H]1CCCc2ccc(OC)cc21 ZINC000772990017 1032392390 /nfs/dbraw/zinc/39/23/90/1032392390.db2.gz ZTPXRLFCDVLCDT-HXUWFJFHSA-N 0 3 321.420 3.874 20 30 DHEDHN C#CC[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000773117898 1032563828 /nfs/dbraw/zinc/56/38/28/1032563828.db2.gz YESCJATZVNGAQF-OXJNMPFZSA-N 0 3 316.408 3.683 20 30 DHEDHN N#CC(C(=O)CCSc1ccccc1F)c1ccccn1 ZINC000049457249 1011920005 /nfs/dbraw/zinc/92/00/05/1011920005.db2.gz USQXNEOKPFXFDQ-LBPRGKRZSA-N 0 3 300.358 3.579 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000424607313 1012060201 /nfs/dbraw/zinc/06/02/01/1012060201.db2.gz KQMFNKBIHKSDHD-WBVHZDCISA-N 0 3 300.446 3.540 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000424705098 1012110119 /nfs/dbraw/zinc/11/01/19/1012110119.db2.gz XYAXLBLTDXMAKZ-KRWDZBQOSA-N 0 3 314.473 3.712 20 30 DHEDHN C#CCC1(C(=O)N(CCC)CCN2CCCCC2)CCCCC1 ZINC001627302825 1012423697 /nfs/dbraw/zinc/42/36/97/1012423697.db2.gz FGYXEGZFMFSVSF-UHFFFAOYSA-N 0 3 318.505 3.685 20 30 DHEDHN COc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)ccc1C#N ZINC000425364121 1012493745 /nfs/dbraw/zinc/49/37/45/1012493745.db2.gz FJJSHXSTEJOTET-AWEZNQCLSA-N 0 3 305.381 3.632 20 30 DHEDHN C=CC[C@@H](C)C(=O)N1CC2(CCN2C[C@H](CC)CCCC)C1 ZINC001269960083 1012520505 /nfs/dbraw/zinc/52/05/05/1012520505.db2.gz LVPKHWCVDVIIDC-IAGOWNOFSA-N 0 3 306.494 3.702 20 30 DHEDHN CC(=O)Nc1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425531233 1012733021 /nfs/dbraw/zinc/73/30/21/1012733021.db2.gz HAUWLVAQLVQNHS-AWEZNQCLSA-N 0 3 307.397 3.710 20 30 DHEDHN CCC(CC)N(CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000579878491 1012880905 /nfs/dbraw/zinc/88/09/05/1012880905.db2.gz IGHRBQKZHQTPQE-UHFFFAOYSA-N 0 3 307.825 3.661 20 30 DHEDHN C=CCCCCCNCc1ncc(Br)cc1F ZINC000623560755 1017111141 /nfs/dbraw/zinc/11/11/41/1017111141.db2.gz QUENEXLWSAMVQE-UHFFFAOYSA-N 0 3 301.203 3.819 20 30 DHEDHN CC[C@@H](N[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(C)cc1 ZINC000340155008 1017114863 /nfs/dbraw/zinc/11/48/63/1017114863.db2.gz NUKYXRKGNZVLKJ-DNVCBOLYSA-N 0 3 321.424 3.935 20 30 DHEDHN N#CC(C(=O)CCCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000048813210 1017131235 /nfs/dbraw/zinc/13/12/35/1017131235.db2.gz ATJLFGPEJCMNKY-OAHLLOKOSA-N 0 3 303.365 3.762 20 30 DHEDHN C=CC[C@@H](C)N[C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000180951405 1017520130 /nfs/dbraw/zinc/52/01/30/1017520130.db2.gz SKMNUZKSPRGOFZ-VXGBXAGGSA-N 0 3 304.825 3.844 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC000897330091 1017678311 /nfs/dbraw/zinc/67/83/11/1017678311.db2.gz FOHXXNGSVSBYOU-RISCZKNCSA-N 0 3 314.351 3.657 20 30 DHEDHN COc1ccccc1C[C@H](C)N(C)Cc1cccc(C#N)c1F ZINC000324302240 1018001842 /nfs/dbraw/zinc/00/18/42/1018001842.db2.gz POXKYDFNHDVTJZ-AWEZNQCLSA-N 0 3 312.388 3.769 20 30 DHEDHN C=C[C@H](CC)CC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001626102689 1018032022 /nfs/dbraw/zinc/03/20/22/1018032022.db2.gz QNOKIUAKJPRGSI-MJGOQNOKSA-N 0 3 314.473 3.850 20 30 DHEDHN C#CCN(Cc1cc(C)c(OCc2ccccn2)c(C)c1)C1CC1 ZINC000764675766 1018345909 /nfs/dbraw/zinc/34/59/09/1018345909.db2.gz AAMUBEITNWFYNM-UHFFFAOYSA-N 0 3 320.436 3.875 20 30 DHEDHN N#CC(C(=O)CCC(F)F)c1nc2ccccc2n1C(F)F ZINC000796649543 1018383420 /nfs/dbraw/zinc/38/34/20/1018383420.db2.gz IJZCMDRZIDVGBO-QMMMGPOBSA-N 0 3 313.254 3.653 20 30 DHEDHN Cc1cccc([C@@H]2CCCN2Cc2ccc(OCC#N)cc2)n1 ZINC000766135663 1018476896 /nfs/dbraw/zinc/47/68/96/1018476896.db2.gz NBMYBAIKZRBOHW-IBGZPJMESA-N 0 3 307.397 3.630 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccccc1Br ZINC000675502491 1018514288 /nfs/dbraw/zinc/51/42/88/1018514288.db2.gz RPYDDUVTKHGZGR-CZUORRHYSA-N 0 3 324.262 3.913 20 30 DHEDHN CC#CCCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000156784098 1018525834 /nfs/dbraw/zinc/52/58/34/1018525834.db2.gz BBGCWAYDFTVECK-NSHDSACASA-N 0 3 302.365 3.755 20 30 DHEDHN CN(C)[C@@H](CNc1cccc(F)c1C#N)c1ccc(F)cc1 ZINC000052486056 1018606662 /nfs/dbraw/zinc/60/66/62/1018606662.db2.gz PUVPSSGBFQBWSZ-KRWDZBQOSA-N 0 3 301.340 3.551 20 30 DHEDHN CN(C)[C@@H](CNc1snc(Cl)c1C#N)c1ccc(F)cc1 ZINC000052486120 1018609058 /nfs/dbraw/zinc/60/90/58/1018609058.db2.gz IAAHUGBYTBHEGS-LBPRGKRZSA-N 0 3 324.812 3.522 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OCC)cc2)cc1 ZINC000765332632 1018760116 /nfs/dbraw/zinc/76/01/16/1018760116.db2.gz RTUSRYUGLWRUIP-INIZCTEOSA-N 0 3 309.409 3.948 20 30 DHEDHN CCCN(CCC#N)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168661683 1018760157 /nfs/dbraw/zinc/76/01/57/1018760157.db2.gz LELAZNQDAVMTJZ-WMZOPIPTSA-N 0 3 302.418 3.541 20 30 DHEDHN CSCC[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000921757228 1018770124 /nfs/dbraw/zinc/77/01/24/1018770124.db2.gz OCICOBLOVPVBDS-SNVBAGLBSA-N 0 3 313.264 3.552 20 30 DHEDHN CSCCCCNCc1cc(C#N)ccc1Br ZINC000921757698 1018771847 /nfs/dbraw/zinc/77/18/47/1018771847.db2.gz SFZZJUCVTMCTHY-UHFFFAOYSA-N 0 3 313.264 3.554 20 30 DHEDHN COc1ccc2c(c1)nccc2N(C)Cc1ccc(C#N)cc1 ZINC000765465192 1018802385 /nfs/dbraw/zinc/80/23/85/1018802385.db2.gz QFCILMGRRTYFCR-UHFFFAOYSA-N 0 3 303.365 3.751 20 30 DHEDHN CSC(C)(C)CNCc1cc(C#N)ccc1Br ZINC000921807874 1018890334 /nfs/dbraw/zinc/89/03/34/1018890334.db2.gz UZVNVPURCNSLCS-UHFFFAOYSA-N 0 3 313.264 3.552 20 30 DHEDHN Cc1cnccc1OC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000278593515 1018896825 /nfs/dbraw/zinc/89/68/25/1018896825.db2.gz LHWMBFMOCVTPBF-MRXNPFEDSA-N 0 3 321.424 3.866 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cnn(C(C)C)c2)cc1 ZINC000765945599 1018952134 /nfs/dbraw/zinc/95/21/34/1018952134.db2.gz KDHHWSHSHDXAHR-HZPDHXFCSA-N 0 3 311.429 3.888 20 30 DHEDHN C[C@@H]1CCC[C@@H](C)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075767269 1019047935 /nfs/dbraw/zinc/04/79/35/1019047935.db2.gz ZRORHCMIKWQIPN-ZIAGYGMSSA-N 0 3 310.401 3.619 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000248610077 1019062464 /nfs/dbraw/zinc/06/24/64/1019062464.db2.gz FOWVKFIJUUMWFN-MSOLQXFVSA-N 0 3 314.473 3.712 20 30 DHEDHN CCCCCCCCCNC(=S)N1CCN[C@@H](CCC)C1 ZINC001239447511 1019166459 /nfs/dbraw/zinc/16/64/59/1019166459.db2.gz LJLPDCDWONTFHL-INIZCTEOSA-N 0 3 313.555 3.685 20 30 DHEDHN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1csc(C#N)c1 ZINC000921957337 1019210305 /nfs/dbraw/zinc/21/03/05/1019210305.db2.gz BDXDKXQKPPFYTI-BDJLRTHQSA-N 0 3 304.390 3.625 20 30 DHEDHN CO[C@@H](c1ccccc1F)[C@H](C)NCc1csc(C#N)c1 ZINC000921969690 1019233655 /nfs/dbraw/zinc/23/36/55/1019233655.db2.gz OWNADQUHVAXYGA-MEDUHNTESA-N 0 3 304.390 3.625 20 30 DHEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@@H]2CC(C)C)CC1 ZINC000077823473 1019386766 /nfs/dbraw/zinc/38/67/66/1019386766.db2.gz SQARDUZPANCLFZ-GOSISDBHSA-N 0 3 321.509 3.637 20 30 DHEDHN CC(C)(CCC#N)CN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611276664 1019432544 /nfs/dbraw/zinc/43/25/44/1019432544.db2.gz RGOHBLBEJZXCEU-NXEZZACHSA-N 0 3 316.289 3.989 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC001128353479 1019478374 /nfs/dbraw/zinc/47/83/74/1019478374.db2.gz VBOLSZJJTIPNAD-ICSRJNTNSA-N 0 3 316.489 3.862 20 30 DHEDHN CC(C)(C)OC(=O)c1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000611443221 1019487658 /nfs/dbraw/zinc/48/76/58/1019487658.db2.gz VQKSECICQSRSBI-UHFFFAOYSA-N 0 3 322.408 3.803 20 30 DHEDHN N#Cc1cccc(COc2cccc(CN3CC=CCC3)c2)c1 ZINC000611521156 1019507952 /nfs/dbraw/zinc/50/79/52/1019507952.db2.gz JIWWQXRGMDFGBG-UHFFFAOYSA-N 0 3 304.393 3.899 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc2c1OCC2 ZINC000922191001 1019818135 /nfs/dbraw/zinc/81/81/35/1019818135.db2.gz QFKQVFMRIWVEBT-LJQANCHMSA-N 0 3 304.393 3.660 20 30 DHEDHN C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccccc1C#N ZINC000012673873 1019979690 /nfs/dbraw/zinc/97/96/90/1019979690.db2.gz HQYKFTPNVPKVOE-LIRRHRJNSA-N 0 3 319.408 3.626 20 30 DHEDHN C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccccc1C#N ZINC000012673888 1019980807 /nfs/dbraw/zinc/98/08/07/1019980807.db2.gz HQYKFTPNVPKVOE-IFXJQAMLSA-N 0 3 319.408 3.626 20 30 DHEDHN CC(C)SCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420465 1019985651 /nfs/dbraw/zinc/98/56/51/1019985651.db2.gz DWDAKGZVRPNHGA-JTQLQIEISA-N 0 3 308.403 3.753 20 30 DHEDHN C=C(Cl)CN[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC001171763682 1032868962 /nfs/dbraw/zinc/86/89/62/1032868962.db2.gz DPWAMESEJKMKHG-ZDUSSCGKSA-N 0 3 314.857 3.651 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@@H]3OCC[C@@H]32)c([O-])c1 ZINC000255623195 1020037661 /nfs/dbraw/zinc/03/76/61/1020037661.db2.gz RXKGCCLTKJBMJD-AOMAFKISSA-N 0 3 316.445 3.615 20 30 DHEDHN N#CCOc1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000731213238 1020082237 /nfs/dbraw/zinc/08/22/37/1020082237.db2.gz YFONRUAKEJIUHW-FQEVSTJZSA-N 0 3 322.408 3.553 20 30 DHEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cn2ccccc2c1C#N ZINC000125338539 1020291988 /nfs/dbraw/zinc/29/19/88/1020291988.db2.gz IJYFPJDBAAPBSY-OAHLLOKOSA-N 0 3 319.408 3.580 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1cnn(CC(F)(F)F)c1 ZINC000352755085 1020320173 /nfs/dbraw/zinc/32/01/73/1020320173.db2.gz KUQARKGCRCYUJT-UHFFFAOYSA-N 0 3 323.362 3.676 20 30 DHEDHN C(=NOC/C=C/c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000255717415 1020332175 /nfs/dbraw/zinc/33/21/75/1020332175.db2.gz UBIUIRHKQBEBJQ-AGJQRXTKSA-N 0 3 322.408 3.587 20 30 DHEDHN C=CCCc1ccccc1NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000667029383 1032893095 /nfs/dbraw/zinc/89/30/95/1032893095.db2.gz ZIAMSUZVOIUYMY-MRXNPFEDSA-N 0 3 315.461 3.800 20 30 DHEDHN CCN(Cc1ccc(C(=O)OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000125760108 1020344811 /nfs/dbraw/zinc/34/48/11/1020344811.db2.gz DXMSWSVWKJWCLL-OAHLLOKOSA-N 0 3 322.408 3.928 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(C)CCC2CCCCC2)CC1 ZINC000106275481 1020402192 /nfs/dbraw/zinc/40/21/92/1020402192.db2.gz LLIFLQGTVHVVMG-UHFFFAOYSA-N 0 3 321.509 3.639 20 30 DHEDHN N#CCCCN[C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000612416964 1020553196 /nfs/dbraw/zinc/55/31/96/1020553196.db2.gz QDENCYSSLWAPQP-HUUCEWRRSA-N 0 3 323.234 3.563 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCCc3nc(C)ncc32)cc1 ZINC000766046239 1020611384 /nfs/dbraw/zinc/61/13/84/1020611384.db2.gz WVHZYGPTQAJMPN-AUUYWEPGSA-N 0 3 321.424 3.525 20 30 DHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(C(C)(C)O)cc1 ZINC000925367912 1020647839 /nfs/dbraw/zinc/64/78/39/1020647839.db2.gz OEUGIFXTEYUHPA-HNNXBMFYSA-N 0 3 324.424 3.667 20 30 DHEDHN CC[C@H](NCc1ccc(N(C)C(C)=O)cc1)c1ccc(C#N)cc1 ZINC000858498314 1032924463 /nfs/dbraw/zinc/92/44/63/1032924463.db2.gz OGNRUZJKNCCXRI-FQEVSTJZSA-N 0 3 321.424 3.782 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000177791016 1020804254 /nfs/dbraw/zinc/80/42/54/1020804254.db2.gz IJPNACUFKXGBAQ-HUUCEWRRSA-N 0 3 323.392 3.839 20 30 DHEDHN CCCCCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001267544385 1020835194 /nfs/dbraw/zinc/83/51/94/1020835194.db2.gz XRQIFDHYDHNNBL-HKUYNNGSSA-N 0 3 316.489 3.984 20 30 DHEDHN COc1cc(C#N)ccc1OCCN1Cc2ccccc2[C@@H](C)C1 ZINC000740873965 1020958467 /nfs/dbraw/zinc/95/84/67/1020958467.db2.gz QXSOPXKRIKMHEX-HNNXBMFYSA-N 0 3 322.408 3.565 20 30 DHEDHN C[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1ccc(C#N)cc1 ZINC000181479685 1021200254 /nfs/dbraw/zinc/20/02/54/1021200254.db2.gz XWTHZAGKERSABZ-MRXNPFEDSA-N 0 3 316.408 3.654 20 30 DHEDHN C=C(C)COCCN[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000090450857 1021225820 /nfs/dbraw/zinc/22/58/20/1021225820.db2.gz ZPAHLQCUEBTWGD-LBPRGKRZSA-N 0 3 313.825 3.601 20 30 DHEDHN CN(CCc1ccccn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356406909 1021261130 /nfs/dbraw/zinc/26/11/30/1021261130.db2.gz GAXBJGCZHWWRLI-UHFFFAOYSA-N 0 3 319.330 3.647 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(F)c(OC)c2)cc1 ZINC000154486594 1021344856 /nfs/dbraw/zinc/34/48/56/1021344856.db2.gz ZHHTWSHDTZJICV-CQSZACIVSA-N 0 3 313.372 3.697 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1Cc1ccccc1 ZINC000589190493 1021401429 /nfs/dbraw/zinc/40/14/29/1021401429.db2.gz VROGGOSXQYCBEQ-LJQANCHMSA-N 0 3 314.473 3.508 20 30 DHEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000744028483 1021405654 /nfs/dbraw/zinc/40/56/54/1021405654.db2.gz IBGHTMDHMMLCGX-XJKSGUPXSA-N 0 3 314.429 3.895 20 30 DHEDHN N#CC(C(=O)CCC1CCOCC1)c1ccc2ccccc2n1 ZINC000744015740 1021407156 /nfs/dbraw/zinc/40/71/56/1021407156.db2.gz CBUXNLOMSCHMPG-INIZCTEOSA-N 0 3 308.381 3.618 20 30 DHEDHN C=CC[C@@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccncc1 ZINC000850137889 1021425145 /nfs/dbraw/zinc/42/51/45/1021425145.db2.gz UZRSHQOQQSNPDA-VQTJNVASSA-N 0 3 324.424 3.656 20 30 DHEDHN Cc1ncc2c(n1)CCC[C@H]2NCc1ccc(C2(C#N)CC2)cc1 ZINC000850139727 1021425865 /nfs/dbraw/zinc/42/58/65/1021425865.db2.gz RHRVSCUYMFHEGH-GOSISDBHSA-N 0 3 318.424 3.507 20 30 DHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-n2ccnn2)cc1 ZINC000182076502 1021468672 /nfs/dbraw/zinc/46/86/72/1021468672.db2.gz XCJGNPSZPGWVBT-CABCVRRESA-N 0 3 317.396 3.551 20 30 DHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCO2 ZINC000618803878 1021531405 /nfs/dbraw/zinc/53/14/05/1021531405.db2.gz JADOSMFBVFUQPC-SJCJKPOMSA-N 0 3 306.365 3.625 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000618806193 1021531699 /nfs/dbraw/zinc/53/16/99/1021531699.db2.gz OXKLRHYDMAFBLN-KZULUSFZSA-N 0 3 307.353 3.805 20 30 DHEDHN Cc1nc2c(s1)[C@@H](N[C@@H]1CCc3cc(C#N)ccc31)CCC2 ZINC000618806214 1021534124 /nfs/dbraw/zinc/53/41/24/1021534124.db2.gz QALYSZUNHZJLKG-WBVHZDCISA-N 0 3 309.438 3.978 20 30 DHEDHN Cc1c([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cnn1C(C)C ZINC000618807430 1021534485 /nfs/dbraw/zinc/53/44/85/1021534485.db2.gz YSCSOCQHQLCRKH-YJYMSZOUSA-N 0 3 308.429 3.982 20 30 DHEDHN CC(C)C[C@@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744437228 1021535935 /nfs/dbraw/zinc/53/59/35/1021535935.db2.gz LSWLNBTURMAJLX-KRWDZBQOSA-N 0 3 308.429 3.747 20 30 DHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc2c(c1)CCCO2 ZINC000850444116 1021536852 /nfs/dbraw/zinc/53/68/52/1021536852.db2.gz VFFGRFJSDHUJRP-HNNXBMFYSA-N 0 3 322.408 3.765 20 30 DHEDHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)cc1C#N ZINC000850447107 1021540031 /nfs/dbraw/zinc/54/00/31/1021540031.db2.gz GZXSIXYONMKAKZ-AWEZNQCLSA-N 0 3 322.408 3.743 20 30 DHEDHN COc1ccc(CN(C)Cc2ccc(OCC#N)cc2)cc1C ZINC000264582355 1032988369 /nfs/dbraw/zinc/98/83/69/1032988369.db2.gz VWQRQLQNHLLIHB-UHFFFAOYSA-N 0 3 310.397 3.538 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCc3ccc(O)cc32)cc1 ZINC000850544064 1021594906 /nfs/dbraw/zinc/59/49/06/1021594906.db2.gz SWZQVQZZJPETCK-JLTOFOAXSA-N 0 3 307.393 3.742 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2ccc(O)cc21)c1ccc(OCC#N)cc1 ZINC000850543250 1021595706 /nfs/dbraw/zinc/59/57/06/1021595706.db2.gz GVFYTKBPIZTWNW-BFUOFWGJSA-N 0 3 308.381 3.633 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1(C#N)CCCCC1 ZINC000850738643 1021631499 /nfs/dbraw/zinc/63/14/99/1021631499.db2.gz OMDKUFGDPQUCPW-AWEZNQCLSA-N 0 3 320.396 3.614 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]2Cn2cnc3ccccc32)s1 ZINC000290289171 1021695110 /nfs/dbraw/zinc/69/51/10/1021695110.db2.gz AEQUJZLZKLOXRI-AWEZNQCLSA-N 0 3 322.437 3.634 20 30 DHEDHN C=CC[C@@H](NCc1ccc(C(=O)OC)c(C)c1)c1ccncc1 ZINC000892973360 1021755345 /nfs/dbraw/zinc/75/53/45/1021755345.db2.gz PTZAOHXMXIVHJO-GOSISDBHSA-N 0 3 310.397 3.584 20 30 DHEDHN C[C@H](CC(C)(C)C#N)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000851204118 1021777702 /nfs/dbraw/zinc/77/77/02/1021777702.db2.gz JYJMKRJHVHUQQC-OAHLLOKOSA-N 0 3 314.429 3.768 20 30 DHEDHN N#Cc1cccc(C2(NCc3ccc(-n4cccn4)cc3)CC2)c1 ZINC000341236746 1022063456 /nfs/dbraw/zinc/06/34/56/1022063456.db2.gz JTBMTRJKHOEUOP-UHFFFAOYSA-N 0 3 314.392 3.523 20 30 DHEDHN CC[C@H](C)N(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852291230 1022101276 /nfs/dbraw/zinc/10/12/76/1022101276.db2.gz RUELMCACWWPIGK-QWHCGFSZSA-N 0 3 315.442 3.593 20 30 DHEDHN C[C@H]1CCCN(CCC(C)(C)C#N)[C@@H]1CNC(=O)OC(C)(C)C ZINC000776588634 1022115829 /nfs/dbraw/zinc/11/58/29/1022115829.db2.gz ADONTEUAAPOTGB-LSDHHAIUSA-N 0 3 323.481 3.551 20 30 DHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000852782813 1022176102 /nfs/dbraw/zinc/17/61/02/1022176102.db2.gz UDOHPAMMMIBIJV-ZDUSSCGKSA-N 0 3 310.372 3.873 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350570 1022279809 /nfs/dbraw/zinc/27/98/09/1022279809.db2.gz SICFYKATXIJULG-UHFFFAOYSA-N 0 3 309.369 3.877 20 30 DHEDHN Cc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)s1 ZINC000155771231 1022419987 /nfs/dbraw/zinc/41/99/87/1022419987.db2.gz KTRGWEPJULPZAH-SNVBAGLBSA-N 0 3 305.428 3.882 20 30 DHEDHN Cc1nccc([C@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000615438243 1022476316 /nfs/dbraw/zinc/47/63/16/1022476316.db2.gz SGNSOITVESMUFP-KDOFPFPSSA-N 0 3 306.413 3.597 20 30 DHEDHN N#CC(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccccn1 ZINC000103329830 1022506320 /nfs/dbraw/zinc/50/63/20/1022506320.db2.gz ZUUVYJQRNUMYDS-KBPBESRZSA-N 0 3 318.298 3.994 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1cc(Cl)ccc1Cl ZINC001169834664 1022560649 /nfs/dbraw/zinc/56/06/49/1022560649.db2.gz YBYPFLHGHZZSPH-UHFFFAOYSA-N 0 3 301.261 3.933 20 30 DHEDHN C[C@@H](N[C@H](CCC#N)c1ccccc1)C1(Br)CC1 ZINC000925602947 1022732990 /nfs/dbraw/zinc/73/29/90/1022732990.db2.gz YFQYRTDEGKBITB-TZMCWYRMSA-N 0 3 307.235 3.937 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)N(C)Cc1ccc(F)cc1F ZINC001172311084 1033079431 /nfs/dbraw/zinc/07/94/31/1033079431.db2.gz OGPZNYJCJKCZBW-ZDUSSCGKSA-N 0 3 300.352 3.899 20 30 DHEDHN C[C@@H](CNC[C@H](C#N)CCC#N)c1ccc(Br)cc1 ZINC000901643197 1022818366 /nfs/dbraw/zinc/81/83/66/1022818366.db2.gz PVZJYFIBYXIHGC-STQMWFEESA-N 0 3 320.234 3.586 20 30 DHEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000617039514 1022833713 /nfs/dbraw/zinc/83/37/13/1022833713.db2.gz ILDCIOTWSYMGNV-AEFFLSMTSA-N 0 3 300.446 3.613 20 30 DHEDHN CCCCCCCCN[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000856789015 1022868496 /nfs/dbraw/zinc/86/84/96/1022868496.db2.gz YNVSKEVXPSAAOC-KRWDZBQOSA-N 0 3 309.475 3.606 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CC2CCCC2)c1 ZINC000114617948 1022874728 /nfs/dbraw/zinc/87/47/28/1022874728.db2.gz GCIYRBZBKRDWIS-RHSMWYFYSA-N 0 3 312.413 3.859 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cncc(C)c2)c1 ZINC000768233355 1022931254 /nfs/dbraw/zinc/93/12/54/1022931254.db2.gz WSWXGSYEAYNZLW-CRAIPNDOSA-N 0 3 309.413 3.922 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000925644007 1022933672 /nfs/dbraw/zinc/93/36/72/1022933672.db2.gz LKVXSQSNVBIULU-SMDDNHRTSA-N 0 3 314.351 3.657 20 30 DHEDHN C[C@H]1CCCN(C(C)(C)CNc2snc(Cl)c2C#N)C1 ZINC000092642355 1022935085 /nfs/dbraw/zinc/93/50/85/1022935085.db2.gz HITXPJYVFHRERS-JTQLQIEISA-N 0 3 312.870 3.591 20 30 DHEDHN C#CC[C@H](N[C@@H]1CCN(C(C)=O)c2ccccc21)c1ccccc1 ZINC000857075902 1022944686 /nfs/dbraw/zinc/94/46/86/1022944686.db2.gz KREASRSMRMVETE-VQTJNVASSA-N 0 3 318.420 3.839 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000768360209 1022951545 /nfs/dbraw/zinc/95/15/45/1022951545.db2.gz KRNHQYQBZODTOO-HXUWFJFHSA-N 0 3 320.440 3.769 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000768353935 1022952533 /nfs/dbraw/zinc/95/25/33/1022952533.db2.gz CMFFNZRQVKEKRT-HNAYVOBHSA-N 0 3 307.397 3.710 20 30 DHEDHN COc1cccc(F)c1[C@H](C)N[C@H](C)Cc1ccc(C#N)cc1 ZINC001172295671 1033102223 /nfs/dbraw/zinc/10/22/23/1033102223.db2.gz CWRTZPXPSBTPQM-KGLIPLIRSA-N 0 3 312.388 3.988 20 30 DHEDHN C[C@@H](NCc1ccc(Cn2cccn2)cc1)c1cccc(C#N)c1 ZINC000181431084 1023090426 /nfs/dbraw/zinc/09/04/26/1023090426.db2.gz ZUZPQCVVIAJTAZ-MRXNPFEDSA-N 0 3 316.408 3.654 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000876599004 1033104577 /nfs/dbraw/zinc/10/45/77/1033104577.db2.gz UAAFDACYRGFGAB-LLVKDONJSA-N 0 3 321.808 3.534 20 30 DHEDHN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)cc1C#N ZINC000859229716 1033107874 /nfs/dbraw/zinc/10/78/74/1033107874.db2.gz OUYCBHXCMVQWBY-HNNXBMFYSA-N 0 3 322.408 3.879 20 30 DHEDHN Cc1cccc([O-])c1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000876618709 1033109445 /nfs/dbraw/zinc/10/94/45/1033109445.db2.gz CTJCLMHBXJRLDM-UHFFFAOYSA-N 0 3 322.408 3.616 20 30 DHEDHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@H](O)c1ccc(C#N)cc1 ZINC000769953044 1023245397 /nfs/dbraw/zinc/24/53/97/1023245397.db2.gz JJFVCKOJRZFFBZ-CKNLXJGOSA-N 0 3 324.399 3.739 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000876667621 1033117869 /nfs/dbraw/zinc/11/78/69/1033117869.db2.gz JFALZLFYKWEECW-KGLIPLIRSA-N 0 3 315.244 3.623 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000876674837 1033120253 /nfs/dbraw/zinc/12/02/53/1033120253.db2.gz URYBNBPRKIDBCM-HNNXBMFYSA-N 0 3 310.825 3.520 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1c1cccc(C)c1C ZINC000876686356 1033123184 /nfs/dbraw/zinc/12/31/84/1033123184.db2.gz VOTFQHVNPMEVII-SJORKVTESA-N 0 3 320.864 3.827 20 30 DHEDHN CCCCCCC[C@@H](CC)n1cnc(CN)c1C(=O)OCC ZINC001172345594 1033129346 /nfs/dbraw/zinc/12/93/46/1033129346.db2.gz AFYSRLITSGMCKM-CQSZACIVSA-N 0 3 309.454 3.830 20 30 DHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C2CC2)n1C1CC1 ZINC000661115169 1023482958 /nfs/dbraw/zinc/48/29/58/1023482958.db2.gz PYYZHFDXWTWMLW-CZUORRHYSA-N 0 3 300.450 3.715 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000785617637 1023599041 /nfs/dbraw/zinc/59/90/41/1023599041.db2.gz QZTXMWDEKAOZHA-VBKZILBWSA-N 0 3 317.392 3.626 20 30 DHEDHN CSC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCC1 ZINC000786402735 1023689097 /nfs/dbraw/zinc/68/90/97/1023689097.db2.gz RKBWKGAARWUMKK-JTQLQIEISA-N 0 3 320.414 3.897 20 30 DHEDHN CCCCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533080 1023700913 /nfs/dbraw/zinc/70/09/13/1023700913.db2.gz DGHYUHPCJIUIPG-HNNXBMFYSA-N 0 3 320.820 3.635 20 30 DHEDHN CC(C)(C#N)CCCCOC(=O)[C@H]1CCCN1C1CCCC1 ZINC000786877078 1023733622 /nfs/dbraw/zinc/73/36/22/1023733622.db2.gz COQUQAANOLAKJF-MRXNPFEDSA-N 0 3 306.450 3.657 20 30 DHEDHN Cc1ccccc1OCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000746651391 1023769162 /nfs/dbraw/zinc/76/91/62/1023769162.db2.gz SPJAYMDRNWIOGL-UHFFFAOYSA-N 0 3 306.409 3.910 20 30 DHEDHN COc1ccc(CNCc2ccc(F)c3cccnc23)cc1C#N ZINC000746739815 1023868699 /nfs/dbraw/zinc/86/86/99/1023868699.db2.gz AGZIHEYOBXNASP-UHFFFAOYSA-N 0 3 321.355 3.544 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000662081633 1023887169 /nfs/dbraw/zinc/88/71/69/1023887169.db2.gz PTVCCWGKZMDLMY-JCGIZDLHSA-N 0 3 316.420 3.528 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000662081636 1023887993 /nfs/dbraw/zinc/88/79/93/1023887993.db2.gz PTVCCWGKZMDLMY-OLMNPRSZSA-N 0 3 316.420 3.528 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1-n1cncn1 ZINC000662091534 1023901532 /nfs/dbraw/zinc/90/15/32/1023901532.db2.gz ZOTUHENGJPWWQW-IYBDPMFKSA-N 0 3 314.820 3.604 20 30 DHEDHN COc1ccc(Br)cc1CN(C)CCCCC#N ZINC000268254223 1024091546 /nfs/dbraw/zinc/09/15/46/1024091546.db2.gz PGLZHILPVARINN-UHFFFAOYSA-N 0 3 311.223 3.583 20 30 DHEDHN CC(C)c1cccc2c1CCN(C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000789555176 1024111998 /nfs/dbraw/zinc/11/19/98/1024111998.db2.gz UDTXDQWOAPMRGD-NRFANRHFSA-N 0 3 320.436 3.773 20 30 DHEDHN C#CCn1ccc(CN(CC)[C@@H]2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000789759219 1024159195 /nfs/dbraw/zinc/15/91/95/1024159195.db2.gz QGXQQLSNNZWPNU-NHCUHLMSSA-N 0 3 321.468 3.849 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCc2ccccc2[C@@H]1CO ZINC000269009767 1024221735 /nfs/dbraw/zinc/22/17/35/1024221735.db2.gz UINKFUNUERQRBC-FQEVSTJZSA-N 0 3 320.436 3.579 20 30 DHEDHN N#Cc1cccc(C2(NCC3=Cc4ccccc4OC3)CC2)c1 ZINC000269642768 1024299150 /nfs/dbraw/zinc/29/91/50/1024299150.db2.gz YACPPPOZSYFXKV-UHFFFAOYSA-N 0 3 302.377 3.613 20 30 DHEDHN C=CCCC[C@H](NCc1cnc(N(C)C)n1C)c1ccccc1 ZINC000883324969 1024377747 /nfs/dbraw/zinc/37/77/47/1024377747.db2.gz KNCPOLSBVNKSNR-SFHVURJKSA-N 0 3 312.461 3.673 20 30 DHEDHN C=CCCC[C@H](NCc1cnc(N(C)C)nc1)c1ccccc1 ZINC000883324933 1024378794 /nfs/dbraw/zinc/37/87/94/1024378794.db2.gz JKCIJEYGYANGSD-SFHVURJKSA-N 0 3 310.445 3.730 20 30 DHEDHN COc1cccc2c1OCCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000883331204 1024384933 /nfs/dbraw/zinc/38/49/33/1024384933.db2.gz UDOYKTNVRHTRTJ-LZWOXQAQSA-N 0 3 300.402 3.581 20 30 DHEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000883393276 1024424786 /nfs/dbraw/zinc/42/47/86/1024424786.db2.gz ZCJPEEWPAQSAOC-HOTGVXAUSA-N 0 3 312.413 3.852 20 30 DHEDHN N#C[C@H]1CC[C@H](NC2(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000453256471 1024428760 /nfs/dbraw/zinc/42/87/60/1024428760.db2.gz JPKQIMVDCICVEI-AAEUAGOBSA-N 0 3 310.319 3.856 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1F)N1CCC[C@]2(CCSC2)C1 ZINC000453378227 1024498093 /nfs/dbraw/zinc/49/80/93/1024498093.db2.gz VVQOQNKVHOWHPY-GUYCJALGSA-N 0 3 304.434 3.977 20 30 DHEDHN C#Cc1cccc(N(C)C(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000103102092 1024551865 /nfs/dbraw/zinc/55/18/65/1024551865.db2.gz YEMXUDKQDCRFHC-UHFFFAOYSA-N 0 3 318.420 3.540 20 30 DHEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000532125027 1024559025 /nfs/dbraw/zinc/55/90/25/1024559025.db2.gz RDCRAEOAKZMZPS-KRWDZBQOSA-N 0 3 314.429 3.502 20 30 DHEDHN C=C(C)CN(CCC1(OC)CCC1)Cc1cnn(C(C)C)c1 ZINC000339193984 1024579488 /nfs/dbraw/zinc/57/94/88/1024579488.db2.gz PCCNRTBIDJRKIW-UHFFFAOYSA-N 0 3 305.466 3.801 20 30 DHEDHN Cc1ccc(CC[C@@H](C)NCc2cc(C#N)cnc2Cl)o1 ZINC000877067143 1033224867 /nfs/dbraw/zinc/22/48/67/1033224867.db2.gz YVVFBSPMNZKEIM-LLVKDONJSA-N 0 3 303.793 3.619 20 30 DHEDHN N#CC(C(=O)C=C(C1CC1)C1CC1)c1cnc2ccccc2n1 ZINC000792113412 1024627161 /nfs/dbraw/zinc/62/71/61/1024627161.db2.gz HNPHVDSEQXPDJN-HNNXBMFYSA-N 0 3 303.365 3.552 20 30 DHEDHN N#CC(C(=O)CCCc1ccccn1)c1nccc2ccccc21 ZINC000792093271 1024629518 /nfs/dbraw/zinc/62/95/18/1024629518.db2.gz WHOCFVYXODZXOE-SFHVURJKSA-N 0 3 315.376 3.829 20 30 DHEDHN C[C@H](CCCC#N)NCc1cn(Cc2cccc(Cl)c2)cn1 ZINC001172494230 1033225365 /nfs/dbraw/zinc/22/53/65/1033225365.db2.gz XZAJTFRYANLATC-CQSZACIVSA-N 0 3 316.836 3.757 20 30 DHEDHN N#CC(C(=O)CCc1cscn1)c1nccc2ccccc21 ZINC000792094971 1024631984 /nfs/dbraw/zinc/63/19/84/1024631984.db2.gz REAWZMJWBWJDGE-OAHLLOKOSA-N 0 3 307.378 3.500 20 30 DHEDHN C[C@@H](CCCC#N)N1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001172497175 1033225585 /nfs/dbraw/zinc/22/55/85/1033225585.db2.gz ZGMHUESGAFMEKN-GDAAHCPNSA-N 0 3 320.477 3.507 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1F ZINC000792246433 1024652668 /nfs/dbraw/zinc/65/26/68/1024652668.db2.gz IIYWSGOOXDPKSI-WOJBJXKFSA-N 0 3 324.399 3.785 20 30 DHEDHN CCC[C@H]1CN([C@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172499075 1033228122 /nfs/dbraw/zinc/22/81/22/1033228122.db2.gz UWNGZJXHMWRSJE-CVEARBPZSA-N 0 3 323.481 3.790 20 30 DHEDHN COc1ccc(CNCc2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000102429291 1024686199 /nfs/dbraw/zinc/68/61/99/1024686199.db2.gz BCGGYKJDNOSTDJ-UHFFFAOYSA-N 0 3 320.314 3.875 20 30 DHEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc(OC)cc2)cc1 ZINC000264998026 1033228886 /nfs/dbraw/zinc/22/88/86/1033228886.db2.gz YUATVTKSFWJHGX-MRXNPFEDSA-N 0 3 309.409 3.948 20 30 DHEDHN COc1cc(N2CCN([C@H](C)CCCC#N)CC2)ccc1Cl ZINC001172497388 1033230579 /nfs/dbraw/zinc/23/05/79/1033230579.db2.gz BKBBXJUSOVMNOI-CQSZACIVSA-N 0 3 321.852 3.553 20 30 DHEDHN CN(Cc1ccc(O)cc1)Cc1cccc(OCCCC#N)c1 ZINC000349405474 1024717843 /nfs/dbraw/zinc/71/78/43/1024717843.db2.gz JHGCORMNWSZSFP-UHFFFAOYSA-N 0 3 310.397 3.707 20 30 DHEDHN C[C@@H](Cc1ccccc1Cl)NC(=N)c1ccc(Cl)cn1 ZINC001170254531 1024723895 /nfs/dbraw/zinc/72/38/95/1024723895.db2.gz ICTSWJKRFCJMMY-JTQLQIEISA-N 0 3 308.212 3.725 20 30 DHEDHN CCS[C@H]1CCCC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877079457 1033232740 /nfs/dbraw/zinc/23/27/40/1033232740.db2.gz ZCZBISSPNRSDMS-KBPBESRZSA-N 0 3 309.866 3.761 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N2CCOC[C@H]2C2CC2)CC1 ZINC001170395479 1024763425 /nfs/dbraw/zinc/76/34/25/1024763425.db2.gz MFYTWYCTWXIJCL-GPJFCIFZSA-N 0 3 310.441 3.501 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1ccc2ccccc2c1 ZINC000877093399 1033238757 /nfs/dbraw/zinc/23/87/57/1033238757.db2.gz SCDFTQRLVIHMNU-INIZCTEOSA-N 0 3 316.832 3.661 20 30 DHEDHN C[C@H](CCCC#N)N1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001172504770 1033235531 /nfs/dbraw/zinc/23/55/31/1033235531.db2.gz IQSKMNWYUCXYTA-HZPDHXFCSA-N 0 3 303.425 3.587 20 30 DHEDHN C[C@]12CCN(Cc3ccc(CC#N)cc3)C[C@H]1C2(Cl)Cl ZINC000792895992 1024826907 /nfs/dbraw/zinc/82/69/07/1024826907.db2.gz BZWXSIPPYCVPRW-CABCVRRESA-N 0 3 309.240 3.768 20 30 DHEDHN C=CC[C@@H](C)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000116926913 1024876368 /nfs/dbraw/zinc/87/63/68/1024876368.db2.gz FCBURIACZOHJRZ-LLVKDONJSA-N 0 3 302.399 3.593 20 30 DHEDHN CN1CCCC[C@H]1c1ccc(NCC#Cc2ccccc2)nc1 ZINC001170425920 1024901669 /nfs/dbraw/zinc/90/16/69/1024901669.db2.gz KCGPMRKUNHURHL-IBGZPJMESA-N 0 3 305.425 3.702 20 30 DHEDHN CN1CCN(Cc2cc(Cl)cc(C#N)c2)CC12CCCCC2 ZINC001170425978 1024902004 /nfs/dbraw/zinc/90/20/04/1024902004.db2.gz WKKYCNWORNDYNC-UHFFFAOYSA-N 0 3 317.864 3.662 20 30 DHEDHN COc1cc(CNCc2ccc3[nH]c(C)cc3c2)ccc1C#N ZINC000353125988 1024959680 /nfs/dbraw/zinc/95/96/80/1024959680.db2.gz MGUJMJCFQIQEMM-UHFFFAOYSA-N 0 3 305.381 3.646 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000877129740 1033248440 /nfs/dbraw/zinc/24/84/40/1033248440.db2.gz OPLVVWOSPWPVAK-LLVKDONJSA-N 0 3 313.854 3.599 20 30 DHEDHN Cc1nccn1CCCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000163197504 1024986062 /nfs/dbraw/zinc/98/60/62/1024986062.db2.gz FEYVNZXZBCGLAI-PMACEKPBSA-N 0 3 322.456 3.744 20 30 DHEDHN CCN(Cc1ccc(OC)c(O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000119861030 1025001303 /nfs/dbraw/zinc/00/13/03/1025001303.db2.gz DSQPMPOSEBNTKK-CQSZACIVSA-N 0 3 310.397 3.856 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)OCCO2 ZINC000353260105 1025004106 /nfs/dbraw/zinc/00/41/06/1025004106.db2.gz SSUYHOGSZAHWSZ-FZKQIMNGSA-N 0 3 320.392 3.668 20 30 DHEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)[C@@H](C)CN1Cc1ccccc1 ZINC001168193574 1025172752 /nfs/dbraw/zinc/17/27/52/1025172752.db2.gz RQYWSOOQNDDDNN-MSOLQXFVSA-N 0 3 319.452 3.653 20 30 DHEDHN CCC(CC)[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877166890 1033264328 /nfs/dbraw/zinc/26/43/28/1033264328.db2.gz HJRZWZSTHIANMV-CVEARBPZSA-N 0 3 321.852 3.680 20 30 DHEDHN Cn1cc(CN[C@@H](CCCC#N)c2ccccc2)c(C(F)F)n1 ZINC000353915889 1025292028 /nfs/dbraw/zinc/29/20/28/1025292028.db2.gz NYXXNTRKPOMTKM-HNNXBMFYSA-N 0 3 318.371 3.882 20 30 DHEDHN N#CC1(C[C@@H](O)CN2CCC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000885937900 1025412443 /nfs/dbraw/zinc/41/24/43/1025412443.db2.gz MKDORPFJLCRKAZ-SJORKVTESA-N 0 3 318.848 3.922 20 30 DHEDHN CN(C)Cc1cccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 ZINC000354385387 1025419212 /nfs/dbraw/zinc/41/92/12/1025419212.db2.gz MEAHUJJZWUEWJI-GOSISDBHSA-N 0 3 321.424 3.774 20 30 DHEDHN Cc1cccc(C2=CCN(C[C@H](O)CC3(C#N)CCC3)CC2)c1 ZINC000886102356 1025506857 /nfs/dbraw/zinc/50/68/57/1025506857.db2.gz FOLJCGGAOPJXCJ-LJQANCHMSA-N 0 3 310.441 3.529 20 30 DHEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3ccccc3)c2)CC1 ZINC000805267211 1025569161 /nfs/dbraw/zinc/56/91/61/1025569161.db2.gz NALUDIQEMACZOB-UHFFFAOYSA-N 0 3 318.420 3.637 20 30 DHEDHN COCc1ccc(CNCc2ccc(SC)c(C#N)c2)cc1 ZINC000886276918 1025576061 /nfs/dbraw/zinc/57/60/61/1025576061.db2.gz AADPAOLPEOWQLO-UHFFFAOYSA-N 0 3 312.438 3.716 20 30 DHEDHN C#CC[C@@H]1CCN([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000886358461 1025603574 /nfs/dbraw/zinc/60/35/74/1025603574.db2.gz VFQZFJVJATUIIP-CHWSQXEVSA-N 0 3 315.804 3.796 20 30 DHEDHN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCCC1 ZINC000075593859 1025847267 /nfs/dbraw/zinc/84/72/67/1025847267.db2.gz VFDZBCVQNFEAEI-UHFFFAOYSA-N 0 3 310.401 3.763 20 30 DHEDHN CC(C)[C@H]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075744919 1025853739 /nfs/dbraw/zinc/85/37/39/1025853739.db2.gz OVQMQLICDCEXBB-INIZCTEOSA-N 0 3 324.428 3.866 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2CC2(O)CCCCC2)o1 ZINC000887034446 1026023200 /nfs/dbraw/zinc/02/32/00/1026023200.db2.gz VQOPXCBUXREWQS-OAHLLOKOSA-N 0 3 302.418 3.591 20 30 DHEDHN C=CCCC1(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000356386930 1026039990 /nfs/dbraw/zinc/03/99/90/1026039990.db2.gz WSDOJUGHVOBWES-SJLPKXTDSA-N 0 3 312.457 3.512 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000454458907 1026100186 /nfs/dbraw/zinc/10/01/86/1026100186.db2.gz GDMNOYURXMSYKA-IXDOHACOSA-N 0 3 321.509 3.541 20 30 DHEDHN CC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CC1(C)C ZINC000419319388 1026150283 /nfs/dbraw/zinc/15/02/83/1026150283.db2.gz ORCDWDRRUDBSFW-HUUCEWRRSA-N 0 3 310.401 3.523 20 30 DHEDHN N#Cc1ccc(CNCCOc2cccc(Cl)c2)c(F)c1 ZINC000532990401 1026175212 /nfs/dbraw/zinc/17/52/12/1026175212.db2.gz ZXEAJOYPNVMILW-UHFFFAOYSA-N 0 3 304.752 3.519 20 30 DHEDHN N#Cc1ccc(-c2ccn(CN3CCC[C@H](C4CC4)C3)n2)cc1 ZINC000808230524 1026237499 /nfs/dbraw/zinc/23/74/99/1026237499.db2.gz JUIXMWLZDYMTBM-SFHVURJKSA-N 0 3 306.413 3.501 20 30 DHEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc2c(c1)oc(=O)n2C ZINC000513343619 1026483420 /nfs/dbraw/zinc/48/34/20/1026483420.db2.gz POKQSFXZRZTPIM-UHFFFAOYSA-N 0 3 322.408 3.710 20 30 DHEDHN C=CCOc1ccccc1CNCCO[C@H]1CCCC[C@@H]1C ZINC000513643455 1026553255 /nfs/dbraw/zinc/55/32/55/1026553255.db2.gz OVORJVYRMHFEKA-WMZOPIPTSA-N 0 3 303.446 3.936 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000809605589 1026573067 /nfs/dbraw/zinc/57/30/67/1026573067.db2.gz FWWPUMYXAOVVMN-UHFFFAOYSA-N 0 3 319.326 3.899 20 30 DHEDHN C#C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000809684054 1026590978 /nfs/dbraw/zinc/59/09/78/1026590978.db2.gz ZNQOHVVCZHQTHW-KRWDZBQOSA-N 0 3 315.420 3.959 20 30 DHEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000809686820 1026593149 /nfs/dbraw/zinc/59/31/49/1026593149.db2.gz LRVRCYFQRIYUJN-CQSZACIVSA-N 0 3 307.319 3.597 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000809728505 1026595671 /nfs/dbraw/zinc/59/56/71/1026595671.db2.gz ADTRIPNMTRUWSC-HXUWFJFHSA-N 0 3 320.440 3.769 20 30 DHEDHN C#Cc1ccc(CN2CCCN(c3ccccc3F)CC2)cc1 ZINC000809712566 1026602138 /nfs/dbraw/zinc/60/21/38/1026602138.db2.gz QPLDOZDBPJNNSN-UHFFFAOYSA-N 0 3 308.400 3.519 20 30 DHEDHN C#C[C@@H](NCc1cc(-c2ccncc2)ccc1OC)C(C)(C)C ZINC000809780977 1026624114 /nfs/dbraw/zinc/62/41/14/1026624114.db2.gz CVKVUESDFREOHH-LJQANCHMSA-N 0 3 308.425 3.895 20 30 DHEDHN C=CCC[C@H](NCCNC(=O)CC1CCCCC1)c1ccco1 ZINC000513697151 1026666306 /nfs/dbraw/zinc/66/63/06/1026666306.db2.gz KCJQQLMRZPDNNC-KRWDZBQOSA-N 0 3 318.461 3.963 20 30 DHEDHN C#CCCCNCc1cc(C(F)(F)F)ccc1Br ZINC000810146090 1026689801 /nfs/dbraw/zinc/68/98/01/1026689801.db2.gz NEIIKKGMOIPYDX-UHFFFAOYSA-N 0 3 320.152 3.971 20 30 DHEDHN C=CCC[C@H](NCCNC(=O)c1ccc(C)cc1)c1ccco1 ZINC000513707715 1026755300 /nfs/dbraw/zinc/75/53/00/1026755300.db2.gz HZBDEPZLOCUMRO-KRWDZBQOSA-N 0 3 312.413 3.615 20 30 DHEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)CC[C@@H](C(F)(F)F)O1 ZINC000931615396 1027189711 /nfs/dbraw/zinc/18/97/11/1027189711.db2.gz AOHPSXBLAWIRJD-KGLIPLIRSA-N 0 3 318.383 3.892 20 30 DHEDHN CO[C@]1(C(F)(F)F)CCN(CCCCC2(C#N)CCC2)C1 ZINC000931687478 1027219344 /nfs/dbraw/zinc/21/93/44/1027219344.db2.gz XRBKFFVHQGCZIJ-CQSZACIVSA-N 0 3 304.356 3.504 20 30 DHEDHN CC1(C#N)CCC(NCc2nccn2CCc2ccccc2)CC1 ZINC000573416022 1027291289 /nfs/dbraw/zinc/29/12/89/1027291289.db2.gz JMCBXAPYJKOEMX-UHFFFAOYSA-N 0 3 322.456 3.688 20 30 DHEDHN N#CCC1(CN[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000932210114 1027413520 /nfs/dbraw/zinc/41/35/20/1027413520.db2.gz PZUOPWCOILNIGJ-CYBMUJFWSA-N 0 3 321.218 3.556 20 30 DHEDHN CC(C)(C#N)CCN[C@@H]1CCOc2ccc(Br)cc21 ZINC000932209604 1027414190 /nfs/dbraw/zinc/41/41/90/1027414190.db2.gz CEFKQZLLYJTRBA-CYBMUJFWSA-N 0 3 323.234 3.802 20 30 DHEDHN C#C[C@@H](N[C@H]1CCc2c(cccc2OC)C1)c1ccc(F)cc1 ZINC000812792210 1027419512 /nfs/dbraw/zinc/41/95/12/1027419512.db2.gz PSPMVKIJHFNLOS-PKOBYXMFSA-N 0 3 309.384 3.656 20 30 DHEDHN CCN(CC#Cc1ccc(F)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849608 1027447006 /nfs/dbraw/zinc/44/70/06/1027447006.db2.gz OSCRPMFIEHLUKA-OXQOHEQNSA-N 0 3 311.400 3.621 20 30 DHEDHN COc1ccc(CN(Cc2ccccn2)CC(C)C)cc1C#N ZINC000932445355 1027500097 /nfs/dbraw/zinc/50/00/97/1027500097.db2.gz DNOOBWFNRGWUKV-UHFFFAOYSA-N 0 3 309.413 3.620 20 30 DHEDHN N#C[C@H]1CC[C@@H](N2CCC(c3nc4c(s3)CCC4)CC2)C1 ZINC000932619465 1027568729 /nfs/dbraw/zinc/56/87/29/1027568729.db2.gz MNFXYEATHDELGC-GXTWGEPZSA-N 0 3 301.459 3.503 20 30 DHEDHN C=CCCCCN1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000932651008 1027576880 /nfs/dbraw/zinc/57/68/80/1027576880.db2.gz VOCBZCVCNVWZLD-UHFFFAOYSA-N 0 3 307.356 3.550 20 30 DHEDHN COc1cc(CN2CCC(CCC#N)CC2)ccc1OC(F)F ZINC000576819187 1027666058 /nfs/dbraw/zinc/66/60/58/1027666058.db2.gz DHFVLQSLIUGPIY-UHFFFAOYSA-N 0 3 324.371 3.812 20 30 DHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2c(C)cccc2Cl)CCC1 ZINC000933294003 1027711559 /nfs/dbraw/zinc/71/15/59/1027711559.db2.gz OARODOAUYTVKEG-ZDUSSCGKSA-N 0 3 304.821 3.511 20 30 DHEDHN CN(C)Cc1ccccc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000577303705 1027743974 /nfs/dbraw/zinc/74/39/74/1027743974.db2.gz BIKJBWMYWWQRFP-UHFFFAOYSA-N 0 3 313.788 3.526 20 30 DHEDHN N#Cc1ccc(C2CCN(C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC000933613687 1027777206 /nfs/dbraw/zinc/77/72/06/1027777206.db2.gz FGDAWTUIPSMXGB-HXUWFJFHSA-N 0 3 324.399 3.610 20 30 DHEDHN C=CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000600683171 1027784098 /nfs/dbraw/zinc/78/40/98/1027784098.db2.gz OFRWAZKUGPCJFD-ZIAGYGMSSA-N 0 3 320.864 3.804 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCc2ncccc21 ZINC000601280924 1028059250 /nfs/dbraw/zinc/05/92/50/1028059250.db2.gz JOXNGDVUIWWMBQ-VQTJNVASSA-N 0 3 303.409 3.998 20 30 DHEDHN C=CCC[C@@H](NCc1cccc(-n2cncn2)c1)c1ccco1 ZINC000367595268 1028211058 /nfs/dbraw/zinc/21/10/58/1028211058.db2.gz AXPNTNLVQUKZNH-QGZVFWFLSA-N 0 3 308.385 3.657 20 30 DHEDHN CN(CC#Cc1ccccc1)C1CCN(c2ccccc2)CC1 ZINC000367982992 1028269216 /nfs/dbraw/zinc/26/92/16/1028269216.db2.gz MDFDTXQUUYGUOI-UHFFFAOYSA-N 0 3 304.437 3.639 20 30 DHEDHN CN(C)c1ccccc1CNN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814925400 1028286007 /nfs/dbraw/zinc/28/60/07/1028286007.db2.gz AKCZVHFPWCLTOS-OAHLLOKOSA-N 0 3 320.440 3.549 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815086093 1028357057 /nfs/dbraw/zinc/35/70/57/1028357057.db2.gz KEAKNZNNUBXFNH-QGZVFWFLSA-N 0 3 311.381 3.790 20 30 DHEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(-c3cncnc3)cc2)cc1 ZINC000368586673 1028381170 /nfs/dbraw/zinc/38/11/70/1028381170.db2.gz YNBDCXIMUZDEJR-INIZCTEOSA-N 0 3 313.404 3.976 20 30 DHEDHN C=C(C)COCCNCc1cnc(-c2c(F)cccc2F)s1 ZINC000449193149 1028430182 /nfs/dbraw/zinc/43/01/82/1028430182.db2.gz VKFOCXZUQSKNLF-UHFFFAOYSA-N 0 3 324.396 3.771 20 30 DHEDHN CC(C)c1nccn1[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000369032378 1028437979 /nfs/dbraw/zinc/43/79/79/1028437979.db2.gz JIXAYFDTCNJBPE-SFHVURJKSA-N 0 3 308.429 3.715 20 30 DHEDHN N#CCCNCCCCSc1ccccc1Br ZINC000564854795 1028508984 /nfs/dbraw/zinc/50/89/84/1028508984.db2.gz BHTBTSUIUUEVHB-UHFFFAOYSA-N 0 3 313.264 3.825 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN1CCCC[C@H](COC)C1 ZINC000779170627 1028601996 /nfs/dbraw/zinc/60/19/96/1028601996.db2.gz DOKFJWINOBAGPG-HNNXBMFYSA-N 0 3 321.848 3.601 20 30 DHEDHN CN1CCCc2cc(CN=Nc3ncnc4sccc43)ccc21 ZINC000748034639 1028639309 /nfs/dbraw/zinc/63/93/09/1028639309.db2.gz UDSGGKLRVZEUEN-UHFFFAOYSA-N 0 3 323.425 3.520 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000565965188 1028659816 /nfs/dbraw/zinc/65/98/16/1028659816.db2.gz RJVRCXXEZFUGSY-CJNGLKHVSA-N 0 3 308.853 3.661 20 30 DHEDHN N#Cc1cc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)ccc1F ZINC000371554470 1028732331 /nfs/dbraw/zinc/73/23/31/1028732331.db2.gz QDPDUDLBTQOWMC-LPHOPBHVSA-N 0 3 310.372 3.565 20 30 DHEDHN C=CCOc1ccc(CN2CCSC[C@@H]2C2CC2)cc1OC ZINC000449528771 1028757864 /nfs/dbraw/zinc/75/78/64/1028757864.db2.gz RUYCTKBCEIEJEL-MRXNPFEDSA-N 0 3 319.470 3.587 20 30 DHEDHN Cc1ccnc(C2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000371821720 1028765780 /nfs/dbraw/zinc/76/57/80/1028765780.db2.gz CKRZIDCLYJZBBU-HNNXBMFYSA-N 0 3 306.413 3.597 20 30 DHEDHN COc1cc(CNC/C=C\c2ccc(F)c(F)c2)ccc1C#N ZINC000566827528 1028789278 /nfs/dbraw/zinc/78/92/78/1028789278.db2.gz YZQVIDOQKOXWEJ-IHWYPQMZSA-N 0 3 314.335 3.648 20 30 DHEDHN C[C@H]1[C@H](OC(=O)CC(C)(C)C#N)CCCN1Cc1ccccc1 ZINC000816472107 1028901132 /nfs/dbraw/zinc/90/11/32/1028901132.db2.gz VAECWTOVMCITNE-DOTOQJQBSA-N 0 3 314.429 3.523 20 30 DHEDHN N#Cc1cccc(NC(=O)c2cccc(CN3CCCCC3)c2)c1 ZINC000411227916 1029075652 /nfs/dbraw/zinc/07/56/52/1029075652.db2.gz PVRFDJPHCDXRCF-UHFFFAOYSA-N 0 3 319.408 3.796 20 30 DHEDHN COc1ccc([C@@H](CCO)NCCC2(C#N)CCCCC2)cc1 ZINC000411460985 1029134052 /nfs/dbraw/zinc/13/40/52/1029134052.db2.gz PJYDFHXBNARYIA-GOSISDBHSA-N 0 3 316.445 3.572 20 30 DHEDHN N#CCCCCN[C@H](c1nc(Br)cs1)C1CC1 ZINC000817578016 1029205321 /nfs/dbraw/zinc/20/53/21/1029205321.db2.gz QCTTUGINGQHNLW-NSHDSACASA-N 0 3 314.252 3.640 20 30 DHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(Cl)cc1 ZINC000569269681 1029207033 /nfs/dbraw/zinc/20/70/33/1029207033.db2.gz WGNJXIODZHPFPL-UHFFFAOYSA-N 0 3 314.816 3.860 20 30 DHEDHN C#CCOc1ccc(CN2C[C@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000190962251 1029228128 /nfs/dbraw/zinc/22/81/28/1029228128.db2.gz PYVZCSGOQGUSIX-OXQOHEQNSA-N 0 3 306.409 3.677 20 30 DHEDHN CN(CCCC(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000450226725 1029265660 /nfs/dbraw/zinc/26/56/60/1029265660.db2.gz MPAKLFZIVSWIGQ-UHFFFAOYSA-N 0 3 310.372 3.792 20 30 DHEDHN CCS[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569813230 1029270542 /nfs/dbraw/zinc/27/05/42/1029270542.db2.gz AUJDTQPYTTUERN-HOCLYGCPSA-N 0 3 319.430 3.620 20 30 DHEDHN C=CC(C)(C)CC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC001136215530 1029553006 /nfs/dbraw/zinc/55/30/06/1029553006.db2.gz JWARYAAEFSPPOC-OAHLLOKOSA-N 0 3 308.491 3.850 20 30 DHEDHN C=C(CN1CCCC1)c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001206094511 1029830016 /nfs/dbraw/zinc/83/00/16/1029830016.db2.gz NZUZJYDHIXRAIO-UHFFFAOYSA-N 0 3 307.756 3.638 20 30 DHEDHN CN(Cc1ccc(CC#N)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451338646 1029851841 /nfs/dbraw/zinc/85/18/41/1029851841.db2.gz ZBMMVJIWEDHPTL-SFHVURJKSA-N 0 3 314.816 3.571 20 30 DHEDHN Cc1cc2cc(CNCc3cc(C#N)ccc3N(C)C)ccc2[nH]1 ZINC000865567508 1029918087 /nfs/dbraw/zinc/91/80/87/1029918087.db2.gz NTDLYOBQZSGSRT-UHFFFAOYSA-N 0 3 318.424 3.704 20 30 DHEDHN C#CC[C@@H](N[C@H](C)c1cccc(-n2ccnn2)c1)c1ccccc1 ZINC000806149654 1029963549 /nfs/dbraw/zinc/96/35/49/1029963549.db2.gz WATXUSHADOLAOJ-OXQOHEQNSA-N 0 3 316.408 3.683 20 30 DHEDHN N#Cc1ccc2c(c1)CN([C@@H]1CCc3cccc(F)c3C1)CC2 ZINC001170986432 1030021232 /nfs/dbraw/zinc/02/12/32/1030021232.db2.gz UDHDPUUDWZBJBL-GOSISDBHSA-N 0 3 306.384 3.613 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](C)CC1 ZINC000357393768 1030030392 /nfs/dbraw/zinc/03/03/92/1030030392.db2.gz XGJZNXZJDWNJLV-CVEARBPZSA-N 0 3 320.502 3.773 20 30 DHEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccnc(Cl)c1Cl)C2 ZINC000865847244 1030057664 /nfs/dbraw/zinc/05/76/64/1030057664.db2.gz JFUMKIGQPKOVAL-CQSZACIVSA-N 0 3 318.207 3.517 20 30 DHEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2occc2c1 ZINC001275548127 1030080252 /nfs/dbraw/zinc/08/02/52/1030080252.db2.gz BRULRFQBZASVTR-QZTJIDSGSA-N 0 3 324.424 3.574 20 30 DHEDHN C[C@H](NCCCOc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000557542853 1030185561 /nfs/dbraw/zinc/18/55/61/1030185561.db2.gz JACHWUMXFAQARH-ZDUSSCGKSA-N 0 3 316.351 3.956 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](CC)C1 ZINC000533224679 1030204436 /nfs/dbraw/zinc/20/44/36/1030204436.db2.gz WPTVHKKFBMGFOI-HOTGVXAUSA-N 0 3 320.502 3.773 20 30 DHEDHN N#CCOc1ccc(CN[C@@H]2CCCc3c(F)cccc32)cc1 ZINC000866295353 1030210812 /nfs/dbraw/zinc/21/08/12/1030210812.db2.gz ZOXJOPRTQKIIJD-LJQANCHMSA-N 0 3 310.372 3.895 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cnc(C)s2)cc1 ZINC000866454092 1030305759 /nfs/dbraw/zinc/30/57/59/1030305759.db2.gz FAKHHLQCDACEQL-CHWSQXEVSA-N 0 3 300.427 3.875 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000533436715 1030355664 /nfs/dbraw/zinc/35/56/64/1030355664.db2.gz OFRHMAIHGDCVLF-ZDUSSCGKSA-N 0 3 324.852 3.882 20 30 DHEDHN Cc1cccc(C)c1OC[C@@H](C)NCc1ccc(C#N)cc1F ZINC000533449111 1030356396 /nfs/dbraw/zinc/35/63/96/1030356396.db2.gz LXYDSTLFCOPLCS-OAHLLOKOSA-N 0 3 312.388 3.871 20 30 DHEDHN C=CCN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000558108671 1030425187 /nfs/dbraw/zinc/42/51/87/1030425187.db2.gz YLKCFOLQSSXXMU-INIZCTEOSA-N 0 3 323.868 3.550 20 30 DHEDHN Cc1ccc(NC(=N)c2ccc3ccccc3n2)c(CN(C)C)c1 ZINC001171052189 1030524597 /nfs/dbraw/zinc/52/45/97/1030524597.db2.gz WPRJEFVLLZFGSR-UHFFFAOYSA-N 0 3 318.424 3.642 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246919000 1030662249 /nfs/dbraw/zinc/66/22/49/1030662249.db2.gz WEPIUCYRCQHFDB-DOTOQJQBSA-N 0 3 323.358 3.558 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000926368289 1030713547 /nfs/dbraw/zinc/71/35/47/1030713547.db2.gz VEHSPNJJWRBOJS-AEFFLSMTSA-N 0 3 323.440 3.508 20 30 DHEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc2ccccc2o1 ZINC001275641058 1030836155 /nfs/dbraw/zinc/83/61/55/1030836155.db2.gz BQOBFZARWOTJPF-QZTJIDSGSA-N 0 3 324.424 3.574 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000926688477 1030863633 /nfs/dbraw/zinc/86/36/33/1030863633.db2.gz DIZHVDZALYIAMY-AAEUAGOBSA-N 0 3 306.372 3.794 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000926780653 1030920748 /nfs/dbraw/zinc/92/07/48/1030920748.db2.gz PWMBCUBCYWTVLW-XHDPSFHLSA-N 0 3 312.816 3.821 20 30 DHEDHN N#Cc1ccc2c(c1)C[C@@H](N[C@H]1COCc3cccc(Cl)c31)C2 ZINC000926812957 1030939015 /nfs/dbraw/zinc/93/90/15/1030939015.db2.gz PYGWCYSXKJKSQY-WMZOPIPTSA-N 0 3 324.811 3.540 20 30 DHEDHN C=CCC[C@@H](NCc1nc2c(s1)CCCC2)[C@H]1CCCO1 ZINC000926921109 1030998228 /nfs/dbraw/zinc/99/82/28/1030998228.db2.gz YZISLWZWUWZFAI-UKRRQHHQSA-N 0 3 306.475 3.625 20 30 DHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000292635656 1031107246 /nfs/dbraw/zinc/10/72/46/1031107246.db2.gz HBSSMFPOJQVZOZ-IBGZPJMESA-N 0 3 306.409 3.552 20 30 DHEDHN COc1ccc(CN(Cc2cncc(C#N)c2)[C@H](C)C2CC2)cc1 ZINC000929332481 1031495727 /nfs/dbraw/zinc/49/57/27/1031495727.db2.gz QAXTVHOKHPAAFF-OAHLLOKOSA-N 0 3 321.424 3.763 20 30 DHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCCC[C@H](C)C1 ZINC000360627742 1031496779 /nfs/dbraw/zinc/49/67/79/1031496779.db2.gz COTDLNPENVVURL-STQMWFEESA-N 0 3 319.836 3.661 20 30 DHEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000872131754 1031524672 /nfs/dbraw/zinc/52/46/72/1031524672.db2.gz ANLZUOXAYRNFPL-FASAQXTFSA-N 0 3 312.388 3.860 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)NCC(=O)c1ccc(Cl)cc1 ZINC001171178116 1031556194 /nfs/dbraw/zinc/55/61/94/1031556194.db2.gz CNBOTRRHAVMVLX-CYBMUJFWSA-N 0 3 312.800 3.615 20 30 DHEDHN COc1ccccc1-c1ccc([C@@H](C)N(C)C[C@H](O)CC#N)cc1 ZINC000929710392 1031585719 /nfs/dbraw/zinc/58/57/19/1031585719.db2.gz PXENSODLDHWGDL-CRAIPNDOSA-N 0 3 324.424 3.630 20 30 DHEDHN CC(C)n1cc(CN2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC000897589716 1031658262 /nfs/dbraw/zinc/65/82/62/1031658262.db2.gz UTGGMIJWQGPWFP-UHFFFAOYSA-N 0 3 308.429 3.715 20 30 DHEDHN CCC[C@H](NC[C@H](O)CC#N)c1ccc(Cl)c(Cl)c1 ZINC000930212024 1031736988 /nfs/dbraw/zinc/73/69/88/1031736988.db2.gz GYSZUIPSTPCDKA-RISCZKNCSA-N 0 3 301.217 3.699 20 30 DHEDHN COCCCC[C@H](NCc1cncc(C#N)c1)c1ccccc1 ZINC000930276737 1031765105 /nfs/dbraw/zinc/76/51/05/1031765105.db2.gz SCAFAORNPJUSSA-IBGZPJMESA-N 0 3 309.413 3.601 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC3(CC3(F)F)CC2)cc1 ZINC000846054278 1031847730 /nfs/dbraw/zinc/84/77/30/1031847730.db2.gz KGINUMILQVKHAO-CYBMUJFWSA-N 0 3 306.356 3.599 20 30 DHEDHN CC1=Nc2ccccc2C12CCN(Cc1cncc(C#N)c1)CC2 ZINC000930842997 1031963015 /nfs/dbraw/zinc/96/30/15/1031963015.db2.gz MTESSVSBNMICKE-UHFFFAOYSA-N 0 3 316.408 3.593 20 30 DHEDHN CCCN(Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccccc1OC ZINC000361510991 1031963645 /nfs/dbraw/zinc/96/36/45/1031963645.db2.gz NPFFJLAVYFTIFV-HNNXBMFYSA-N 0 3 311.429 3.879 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1ccc(N(C)C(C)C)nc1 ZINC000361593237 1032004977 /nfs/dbraw/zinc/00/49/77/1032004977.db2.gz HAWYTHYGKBZIOQ-UHFFFAOYSA-N 0 3 313.445 3.750 20 30 DHEDHN Cc1nc2ccccn2c1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000898271485 1032012282 /nfs/dbraw/zinc/01/22/82/1032012282.db2.gz APDCBROJISGHLM-UHFFFAOYSA-N 0 3 318.424 3.734 20 30 DHEDHN Cc1ccn2cc(CN(C)[C@@H](C)Cc3cccc(C#N)c3)nc2c1 ZINC001171234189 1032014095 /nfs/dbraw/zinc/01/40/95/1032014095.db2.gz NDQOPCPLZWZQRI-INIZCTEOSA-N 0 3 318.424 3.577 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OCC(C)C)cc2)n1 ZINC000338189222 1033297520 /nfs/dbraw/zinc/29/75/20/1033297520.db2.gz IBIOAWWCSVQJMA-HNNXBMFYSA-N 0 3 314.410 3.976 20 30 DHEDHN C#C[C@H](N[C@@H](C)CC[P@](C)(=O)OCC)c1ccc(F)cc1 ZINC000877544310 1033346199 /nfs/dbraw/zinc/34/61/99/1033346199.db2.gz OCOJSCDUGCZMOP-UYTHQXMGSA-N 0 3 311.337 3.813 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000237502430 1033485122 /nfs/dbraw/zinc/48/51/22/1033485122.db2.gz LXZXDMHTUKQWPG-ORAYPTAESA-N 0 3 310.372 3.894 20 30 DHEDHN C#CCCCCCN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000877909415 1033510537 /nfs/dbraw/zinc/51/05/37/1033510537.db2.gz JBBFRVDIQNDMIP-UHFFFAOYSA-N 0 3 311.429 3.572 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1C2CCCC1CCC2)c1ccccc1 ZINC000878133037 1033591674 /nfs/dbraw/zinc/59/16/74/1033591674.db2.gz FTBWJKQOQSMUQU-MHJFOBGBSA-N 0 3 310.441 3.834 20 30 DHEDHN N#CCC1(CN(Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000878178357 1033614433 /nfs/dbraw/zinc/61/44/33/1033614433.db2.gz LJSUDBWCAQGRAW-KRWDZBQOSA-N 0 3 310.397 3.509 20 30 DHEDHN C=CCC[C@H](NCC(=O)Nc1ncccc1C)c1ccccc1 ZINC000878369976 1033679047 /nfs/dbraw/zinc/67/90/47/1033679047.db2.gz VQWWLCFPYKCKJP-KRWDZBQOSA-N 0 3 309.413 3.626 20 30 DHEDHN C=CCOC1CCC(NCc2c(F)cc(OC)cc2F)CC1 ZINC001173315358 1033707038 /nfs/dbraw/zinc/70/70/38/1033707038.db2.gz LDOUQFXRKWSGLS-UHFFFAOYSA-N 0 3 311.372 3.577 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1CCC(C2CC2)CC1)c1ccccc1 ZINC000878640894 1033777655 /nfs/dbraw/zinc/77/76/55/1033777655.db2.gz NJASGZSCEXWMLK-HXUWFJFHSA-N 0 3 310.441 3.549 20 30 DHEDHN CC1(C#N)CCC(NCC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001173588674 1033778040 /nfs/dbraw/zinc/77/80/40/1033778040.db2.gz IYYKMXXTEYEGHR-UHFFFAOYSA-N 0 3 324.346 3.950 20 30 DHEDHN CC1(C#N)CCC(N[C@H]2CCOc3cc(F)cc(F)c32)CC1 ZINC001173591310 1033780781 /nfs/dbraw/zinc/78/07/81/1033780781.db2.gz YFBJCKQJDACEBX-TVIZTDCDSA-N 0 3 306.356 3.850 20 30 DHEDHN CC1(C#N)CCC(N2CCC[C@H]2C(=O)Nc2ccccc2)CC1 ZINC001173600349 1033787426 /nfs/dbraw/zinc/78/74/26/1033787426.db2.gz BOIJXUXOGZSBTQ-HFCFLWKCSA-N 0 3 311.429 3.562 20 30 DHEDHN CCCN(C)c1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000118911918 1033833014 /nfs/dbraw/zinc/83/30/14/1033833014.db2.gz LTWAXJFSDLTSHP-OAHLLOKOSA-N 0 3 313.426 3.788 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1CCC(C2CCC2)CC1)c1ccccc1 ZINC000878915426 1033864670 /nfs/dbraw/zinc/86/46/70/1033864670.db2.gz UNTQQZJFCNYRGH-OAQYLSRUSA-N 0 3 324.468 3.939 20 30 DHEDHN C#CC[C@H](CCOC)N[C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000862548423 1033885419 /nfs/dbraw/zinc/88/54/19/1033885419.db2.gz FTLBWIHXILQFFZ-VQIMIIECSA-N 0 3 308.425 3.828 20 30 DHEDHN CC(=NNc1ccnc(C)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000863158796 1034009780 /nfs/dbraw/zinc/00/97/80/1034009780.db2.gz RCSZKAKREQIICA-UHFFFAOYSA-N 0 3 323.318 3.589 20 30 DHEDHN C#Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000898506481 1034065217 /nfs/dbraw/zinc/06/52/17/1034065217.db2.gz VSUHOTHVZNAXHB-UHFFFAOYSA-N 0 3 315.420 3.616 20 30 DHEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCCCC3)O2)c(F)c1 ZINC000480462773 1034261191 /nfs/dbraw/zinc/26/11/91/1034261191.db2.gz DFIFBZHWVHWLJL-MRXNPFEDSA-N 0 3 302.393 3.669 20 30 DHEDHN CC(C)[C@@H](NCc1ccc(F)cc1C#N)[C@H](O)c1ccccc1 ZINC000794615137 1034315101 /nfs/dbraw/zinc/31/51/01/1034315101.db2.gz VMMSTKNIGGMWAU-RTBURBONSA-N 0 3 312.388 3.545 20 30 DHEDHN C=CCCC[C@H](NCc1cccc(C(N)=O)c1)c1ccccc1 ZINC000880388231 1034318437 /nfs/dbraw/zinc/31/84/37/1034318437.db2.gz KLFILWHRPODAIO-IBGZPJMESA-N 0 3 308.425 3.973 20 30 DHEDHN N#Cc1ccc(CN(CC2CC2)CC2CC2)c(Br)c1 ZINC000481069168 1034577053 /nfs/dbraw/zinc/57/70/53/1034577053.db2.gz DXERDJYKIZFDRA-UHFFFAOYSA-N 0 3 319.246 3.943 20 30 DHEDHN C[C@H](C1CCC1)N(C)Cc1ccc(C#N)cc1Br ZINC000481259433 1034691619 /nfs/dbraw/zinc/69/16/19/1034691619.db2.gz QIWXEZNWGVZPNP-LLVKDONJSA-N 0 3 307.235 3.941 20 30 DHEDHN COc1cccc(C2(F)CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000555503938 1034768852 /nfs/dbraw/zinc/76/88/52/1034768852.db2.gz ZKDDSGITBNRFIT-GDBMZVCRSA-N 0 3 302.393 3.648 20 30 DHEDHN Cc1cccc([C@@H](C)N2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001175443173 1034988269 /nfs/dbraw/zinc/98/82/69/1034988269.db2.gz CKCJCNQJFGDJFN-QGZVFWFLSA-N 0 3 305.425 3.750 20 30 DHEDHN Cc1cc(N2CCN(C)CC2)ccc1Nc1cc(F)cc(C#N)c1 ZINC001175685063 1035085158 /nfs/dbraw/zinc/08/51/58/1035085158.db2.gz RKPKIRQSTPKNNM-UHFFFAOYSA-N 0 3 324.403 3.501 20 30 DHEDHN CN(C)[C@@H]1CCOc2c(Nc3cc(F)cc(C#N)c3)cccc21 ZINC001175689266 1035085234 /nfs/dbraw/zinc/08/52/34/1035085234.db2.gz JGRSEURXCHRVPE-QGZVFWFLSA-N 0 3 311.360 3.826 20 30 DHEDHN CCN1CCN(c2ccc(Nc3cc(C)cc(C#N)c3)cc2)CC1 ZINC001175781604 1035118925 /nfs/dbraw/zinc/11/89/25/1035118925.db2.gz JEZKUOYNPLFDPS-UHFFFAOYSA-N 0 3 320.440 3.752 20 30 DHEDHN C#CCCN1CCC[C@@]1(C)Cc1cccc(Br)c1 ZINC001176253388 1035237280 /nfs/dbraw/zinc/23/72/80/1035237280.db2.gz PQXZLGZGNOAZMA-INIZCTEOSA-N 0 3 306.247 3.869 20 30 DHEDHN Cc1cc(N2CCN(C)CC2)ccc1Nc1ccc(F)c(C#N)c1 ZINC001176618311 1035302130 /nfs/dbraw/zinc/30/21/30/1035302130.db2.gz ZPCRCDNPVROJSA-UHFFFAOYSA-N 0 3 324.403 3.501 20 30 DHEDHN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(C#N)c(F)c1 ZINC000484080346 1035316819 /nfs/dbraw/zinc/31/68/19/1035316819.db2.gz CSSGPIYFDPMYHM-ORAYPTAESA-N 0 3 310.372 3.521 20 30 DHEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(SC)cc1 ZINC001176771802 1035329940 /nfs/dbraw/zinc/32/99/40/1035329940.db2.gz VZEKHHYBFUUBHP-OAHLLOKOSA-N 0 3 304.459 3.778 20 30 DHEDHN C=CCOc1cccc(CNCc2ccc(OC)c(F)c2)c1 ZINC001177161869 1035354744 /nfs/dbraw/zinc/35/47/44/1035354744.db2.gz FKAHWDQGAPYVTQ-UHFFFAOYSA-N 0 3 301.361 3.689 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc2scnc2c1 ZINC001178620291 1035440288 /nfs/dbraw/zinc/44/02/88/1035440288.db2.gz KXNHDJLKRPZHQA-MRXNPFEDSA-N 0 3 305.406 3.945 20 30 DHEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1c(F)cccc1Cl)C2 ZINC001179419644 1035479074 /nfs/dbraw/zinc/47/90/74/1035479074.db2.gz PWPRZYATVWRPJJ-AWEZNQCLSA-N 0 3 300.764 3.608 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000189924394 1035581581 /nfs/dbraw/zinc/58/15/81/1035581581.db2.gz VYEPURWJFPBDRV-MJGOQNOKSA-N 0 3 300.446 3.542 20 30 DHEDHN N#CCC1(CN(Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC001194281088 1035886646 /nfs/dbraw/zinc/88/66/46/1035886646.db2.gz ZCXUWCMBEKAHBJ-FQEVSTJZSA-N 0 3 320.436 3.916 20 30 DHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccccc1CF ZINC001194792783 1036021970 /nfs/dbraw/zinc/02/19/70/1036021970.db2.gz XISBJBLJNZBRHA-UHFFFAOYSA-N 0 3 312.388 3.676 20 30 DHEDHN C#CCN(Cc1ccc(N(C)Cc2cccs2)cc1)C1CC1 ZINC001181880282 1036029386 /nfs/dbraw/zinc/02/93/86/1036029386.db2.gz RIMBJBWYTUAZCI-UHFFFAOYSA-N 0 3 310.466 3.982 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000540431880 1036071087 /nfs/dbraw/zinc/07/10/87/1036071087.db2.gz IEWWGCKCUNXWFQ-SFHVURJKSA-N 0 3 318.436 3.703 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C)cc1 ZINC000773979771 1036109158 /nfs/dbraw/zinc/10/91/58/1036109158.db2.gz KXGLYXLORJIQEA-XJKSGUPXSA-N 0 3 314.429 3.969 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C)cc1 ZINC000773979770 1036109908 /nfs/dbraw/zinc/10/99/08/1036109908.db2.gz KXGLYXLORJIQEA-CZUORRHYSA-N 0 3 314.429 3.969 20 30 DHEDHN CC(C)(C#N)c1ccc(CN[C@@H](CCO)c2cccs2)cc1 ZINC000775667443 1036291306 /nfs/dbraw/zinc/29/13/06/1036291306.db2.gz RJBXCGPONTZFKR-INIZCTEOSA-N 0 3 314.454 3.763 20 30 DHEDHN COC(=O)c1cccc(CN[C@@H](C)[C@H](C)c2ccccc2)c1C#N ZINC000541611114 1036382535 /nfs/dbraw/zinc/38/25/35/1036382535.db2.gz HDDANHWACGFNTH-GJZGRUSLSA-N 0 3 322.408 3.627 20 30 DHEDHN COc1cc(CN2CC[C@@](C)(c3cccc(F)c3)C2)ccc1C#N ZINC001182753026 1036435093 /nfs/dbraw/zinc/43/50/93/1036435093.db2.gz DJFHWILZMPPLDS-HXUWFJFHSA-N 0 3 324.399 3.870 20 30 DHEDHN C#CCOCCN[C@H](COc1c(C)cccc1C)c1ccccc1 ZINC001168485509 1036478941 /nfs/dbraw/zinc/47/89/41/1036478941.db2.gz GGCCLSBPXRTLPP-HXUWFJFHSA-N 0 3 323.436 3.663 20 30 DHEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccccc1Cl ZINC000487909777 1036638279 /nfs/dbraw/zinc/63/82/79/1036638279.db2.gz CFLXLRGAZOTNCH-CYBMUJFWSA-N 0 3 300.789 3.941 20 30 DHEDHN Cc1cc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1C#N ZINC000487911874 1036645118 /nfs/dbraw/zinc/64/51/18/1036645118.db2.gz GFKWDFFRWCBNDQ-SFHVURJKSA-N 0 3 320.392 3.933 20 30 DHEDHN Cc1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1C#N ZINC000487911873 1036645604 /nfs/dbraw/zinc/64/56/04/1036645604.db2.gz GFKWDFFRWCBNDQ-GOSISDBHSA-N 0 3 320.392 3.933 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2ccc(C)o2)c([O-])c1 ZINC000915115160 1036648604 /nfs/dbraw/zinc/64/86/04/1036648604.db2.gz ZVCHFGILDNZYNK-CPNJWEJPSA-N 0 3 300.402 3.801 20 30 DHEDHN CCCCCCCC[C@H]1C[C@@H]1C(=O)N1CCC2(CN(C)C2)CC1 ZINC001273738295 1036698490 /nfs/dbraw/zinc/69/84/90/1036698490.db2.gz OBBABDCIMMHKBG-ROUUACIJSA-N 0 3 320.521 3.927 20 30 DHEDHN COc1cccc([C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000193619809 1037035715 /nfs/dbraw/zinc/03/57/15/1037035715.db2.gz IKDSLJOLHLRZRR-SWLSCSKDSA-N 0 3 320.348 3.816 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N([C@H](C)[C@@H](C)CC)C2CC2)CC1 ZINC000175474394 1037049855 /nfs/dbraw/zinc/04/98/55/1037049855.db2.gz PQVKWBSAMVBNAB-JKSUJKDBSA-N 0 3 321.509 3.636 20 30 DHEDHN CCCCCCCC[C@H](N)C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000911644192 1037162335 /nfs/dbraw/zinc/16/23/35/1037162335.db2.gz ZVGVJLDIPAUNNT-HOTGVXAUSA-N 0 3 321.465 3.724 20 30 DHEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2CCC(C)C)CC1 ZINC000178172501 1037298960 /nfs/dbraw/zinc/29/89/60/1037298960.db2.gz HPNVTWGOTUEHAP-GOSISDBHSA-N 0 3 321.509 3.637 20 30 DHEDHN CC[C@@H](NCC(=O)Nc1sccc1C#N)c1ccc(C)cc1 ZINC000194014453 1037334695 /nfs/dbraw/zinc/33/46/95/1037334695.db2.gz QBPBGGRZHYJOET-OAHLLOKOSA-N 0 3 313.426 3.608 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000912275578 1037343250 /nfs/dbraw/zinc/34/32/50/1037343250.db2.gz BDQQOTFHDGZEFW-GOSISDBHSA-N 0 3 324.424 3.984 20 30 DHEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000912394356 1037372330 /nfs/dbraw/zinc/37/23/30/1037372330.db2.gz MSVOYLRIJMMZCN-HOTGVXAUSA-N 0 3 306.837 3.687 20 30 DHEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000912396272 1037373267 /nfs/dbraw/zinc/37/32/67/1037373267.db2.gz WRIFNPCTSRZAGR-HOTGVXAUSA-N 0 3 306.837 3.687 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC000489889081 1037551409 /nfs/dbraw/zinc/55/14/09/1037551409.db2.gz PSJFWFSYHOQJLK-INIZCTEOSA-N 0 3 310.372 3.695 20 30 DHEDHN N#CCOc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000776164967 1037638181 /nfs/dbraw/zinc/63/81/81/1037638181.db2.gz YAHQOAWLYHNHSG-LJQANCHMSA-N 0 3 310.372 3.895 20 30 DHEDHN C=C(C)CN[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494206204 1037666322 /nfs/dbraw/zinc/66/63/22/1037666322.db2.gz VUVTWLSEPUIXOQ-DOTOQJQBSA-N 0 3 324.827 3.695 20 30 DHEDHN Cc1cc(CN2CCC[C@]3(C2)OCc2ccccc23)ccc1C#N ZINC000488082495 1037684225 /nfs/dbraw/zinc/68/42/25/1037684225.db2.gz YALRITVSYDCISL-OAQYLSRUSA-N 0 3 318.420 3.888 20 30 DHEDHN CCC[N@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000763414217 1037833645 /nfs/dbraw/zinc/83/36/45/1037833645.db2.gz RVGRVEPMOQXUIJ-UHFFFAOYSA-N 0 3 324.424 3.945 20 30 DHEDHN CCC[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000763414217 1037833661 /nfs/dbraw/zinc/83/36/61/1037833661.db2.gz RVGRVEPMOQXUIJ-UHFFFAOYSA-N 0 3 324.424 3.945 20 30 DHEDHN CCCCCCCN1Cc2cnn(CC)c2[C@@H](COCC)C1 ZINC001201762184 1037885566 /nfs/dbraw/zinc/88/55/66/1037885566.db2.gz ATPPNKATLCWXAJ-QGZVFWFLSA-N 0 3 307.482 3.809 20 30 DHEDHN C#C[C@@H](C)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000775183599 1037945188 /nfs/dbraw/zinc/94/51/88/1037945188.db2.gz PROXLGMDNRMTHX-MRXNPFEDSA-N 0 3 304.393 3.591 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccccc1-n1ccnn1)c1cccc(C#N)c1 ZINC000586790251 1037971228 /nfs/dbraw/zinc/97/12/28/1037971228.db2.gz BZLTZGQBDQITAI-GJZGRUSLSA-N 0 3 317.396 3.551 20 30 DHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000586793831 1037973688 /nfs/dbraw/zinc/97/36/88/1037973688.db2.gz DROLYFXSPZDBTO-MEDUHNTESA-N 0 3 319.364 3.743 20 30 DHEDHN C=CCOc1ccc(CN(C)Cc2ccc(O)c(OC)c2)cc1 ZINC000125941745 1037987971 /nfs/dbraw/zinc/98/79/71/1037987971.db2.gz XZEXTWGGNJXGPV-UHFFFAOYSA-N 0 3 313.397 3.598 20 30 DHEDHN CN(C)[C@@H](C/N=C\c1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000054893275 1038000906 /nfs/dbraw/zinc/00/09/06/1038000906.db2.gz BZJSAPXVCTVSGT-OBLBUWMUSA-N 0 3 320.795 3.907 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000106478513 1038102828 /nfs/dbraw/zinc/10/28/28/1038102828.db2.gz VHYJJFBYNPCQGL-BFUOFWGJSA-N 0 3 310.372 3.894 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cc(C)cc(C)c1O ZINC000164222236 1038104165 /nfs/dbraw/zinc/10/41/65/1038104165.db2.gz HMIWSGDDBHJOMM-UHFFFAOYSA-N 0 3 324.424 3.529 20 30 DHEDHN C[C@H]1CN(CCCOc2ccc(C#N)cc2)Cc2ccccc21 ZINC000917039366 1038123876 /nfs/dbraw/zinc/12/38/76/1038123876.db2.gz AQQCYOYVMFELGZ-INIZCTEOSA-N 0 3 306.409 3.946 20 30 DHEDHN COc1cc(C)cc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000127278434 1038163513 /nfs/dbraw/zinc/16/35/13/1038163513.db2.gz HIKMVZVMWOLDDJ-UHFFFAOYSA-N 0 3 324.424 3.976 20 30 DHEDHN CCC[C@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917104732 1038211149 /nfs/dbraw/zinc/21/11/49/1038211149.db2.gz TZCKORZQPDYNJC-STQMWFEESA-N 0 3 315.442 3.593 20 30 DHEDHN C=C(C)Cc1ccc(C(=O)NCCc2cnc3cc[nH]cc2-3)cc1 ZINC001190232963 1038279556 /nfs/dbraw/zinc/27/95/56/1038279556.db2.gz KCKNNDVMSBARIK-UHFFFAOYSA-N 0 3 319.408 3.654 20 30 DHEDHN C=C(C)Cc1ccc(C(=O)NCCc2c[nH]c3ccncc23)cc1 ZINC001190232963 1038279560 /nfs/dbraw/zinc/27/95/60/1038279560.db2.gz KCKNNDVMSBARIK-UHFFFAOYSA-N 0 3 319.408 3.654 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000192998848 1038296871 /nfs/dbraw/zinc/29/68/71/1038296871.db2.gz RIGWDSPEGZALLO-ZIAGYGMSSA-N 0 3 308.381 3.741 20 30 DHEDHN C[C@H](c1ccccc1)[C@@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000590712990 1038694405 /nfs/dbraw/zinc/69/44/05/1038694405.db2.gz KZEDMWCKNIFWPZ-AHRSYUTCSA-N 0 3 308.425 3.786 20 30 DHEDHN N#Cc1cccc(CN2CCC[C@@H](Sc3ccncc3)C2)c1 ZINC001203762739 1038696608 /nfs/dbraw/zinc/69/66/08/1038696608.db2.gz PXYWRPCKWWLCRH-GOSISDBHSA-N 0 3 309.438 3.710 20 30 DHEDHN Cc1cc(F)ccc1[C@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000775550893 1038708165 /nfs/dbraw/zinc/70/81/65/1038708165.db2.gz OTWGPMRIURVBGC-RTBURBONSA-N 0 3 312.388 3.802 20 30 DHEDHN CCCCCCC[C@H](C)NC(=O)N(CC)C1CCN(C)CC1 ZINC001192927770 1038721904 /nfs/dbraw/zinc/72/19/04/1038721904.db2.gz YEBIDRQEEMGZOE-INIZCTEOSA-N 0 3 311.514 3.861 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCc2cccnc21 ZINC000591348976 1038835737 /nfs/dbraw/zinc/83/57/37/1038835737.db2.gz VJGPXBXMBVFUQU-MOPGFXCFSA-N 0 3 303.409 3.998 20 30 DHEDHN N#CCC1(CNCc2cc3cc(Br)ccc3o2)CC1 ZINC000573267349 1038891859 /nfs/dbraw/zinc/89/18/59/1038891859.db2.gz FQLACGBRCKAEMO-UHFFFAOYSA-N 0 3 319.202 3.979 20 30 DHEDHN CCN(CC)[C@@H](CNCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000591728460 1038970917 /nfs/dbraw/zinc/97/09/17/1038970917.db2.gz ICFGCELGACBXEJ-HNNXBMFYSA-N 0 3 313.367 3.592 20 30 DHEDHN COc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)ccc1Cl ZINC000598975956 1038970800 /nfs/dbraw/zinc/97/08/00/1038970800.db2.gz RXXJCURPUOKQII-QGZVFWFLSA-N 0 3 312.800 3.997 20 30 DHEDHN CC[C@@H](OCCNCc1ccc(C#N)s1)c1ccccc1 ZINC000593664122 1038995099 /nfs/dbraw/zinc/99/50/99/1038995099.db2.gz GBRDFNZKRCXUQI-QGZVFWFLSA-N 0 3 300.427 3.877 20 30 DHEDHN N#Cc1ccc(CNCC2(C(F)(F)F)CCCC2)c(F)c1 ZINC000599014704 1038998916 /nfs/dbraw/zinc/99/89/16/1038998916.db2.gz USMFQMXFJKNENM-UHFFFAOYSA-N 0 3 300.299 3.910 20 30 DHEDHN N#CCc1cccc2c1CCN(CCC1(C#N)CCCCC1)C2 ZINC000599676963 1039255136 /nfs/dbraw/zinc/25/51/36/1039255136.db2.gz CVXIWRATXNTAJA-UHFFFAOYSA-N 0 3 307.441 3.975 20 30 DHEDHN CC(C)(C#N)CCN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599675348 1039255635 /nfs/dbraw/zinc/25/56/35/1039255635.db2.gz BYXKSDHBACZWOG-AWEZNQCLSA-N 0 3 315.244 3.946 20 30 DHEDHN N#CCc1cccc2c1CCN(CCCOc1ccccc1)C2 ZINC000599685560 1039268813 /nfs/dbraw/zinc/26/88/13/1039268813.db2.gz GMRDIUMQXAJXDP-UHFFFAOYSA-N 0 3 306.409 3.580 20 30 DHEDHN CCOc1cc(CN2CCC(CC#N)CC2)ccc1OC(F)F ZINC000574306794 1039603291 /nfs/dbraw/zinc/60/32/91/1039603291.db2.gz HQQFNDGGBSKYHR-UHFFFAOYSA-N 0 3 324.371 3.812 20 30 DHEDHN CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594443787 1039785360 /nfs/dbraw/zinc/78/53/60/1039785360.db2.gz UVLYATSYUOZXIV-BZUAXINKSA-N 0 3 307.482 3.509 20 30 DHEDHN Cc1cccc([C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)C)c1 ZINC000594433329 1039785515 /nfs/dbraw/zinc/78/55/15/1039785515.db2.gz NQOBPOAILPPVPK-IRXDYDNUSA-N 0 3 315.461 3.610 20 30 DHEDHN Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](N)CCCCC#N ZINC000594433150 1039785632 /nfs/dbraw/zinc/78/56/32/1039785632.db2.gz CLHRXSUSIBSOBT-QZTJIDSGSA-N 0 3 315.461 3.610 20 30 DHEDHN CCC(CC)[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594426279 1039791102 /nfs/dbraw/zinc/79/11/02/1039791102.db2.gz DSSMHKHCFUEMBV-QZTJIDSGSA-N 0 3 315.461 3.691 20 30 DHEDHN CC(C)(C#N)c1ccc(CNCc2ccc3c(c2)OCCO3)cc1 ZINC000594493291 1039796158 /nfs/dbraw/zinc/79/61/58/1039796158.db2.gz KYTQLGCZENOKAO-UHFFFAOYSA-N 0 3 322.408 3.549 20 30 DHEDHN Cc1nn(-c2ccccc2Cl)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000594511812 1039812535 /nfs/dbraw/zinc/81/25/35/1039812535.db2.gz QFGMCLSKHYHNQF-DZGCQCFKSA-N 0 3 314.820 3.616 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1c2ccccc2C[C@@H]1O ZINC000594514622 1039821610 /nfs/dbraw/zinc/82/16/10/1039821610.db2.gz JVROVAXWWZDWBD-HKBOAZHASA-N 0 3 318.420 3.574 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NC2(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000594519213 1039826509 /nfs/dbraw/zinc/82/65/09/1039826509.db2.gz VODAALYIUPWCLY-DGCLKSJQSA-N 0 3 310.319 3.856 20 30 DHEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000594915695 1039922491 /nfs/dbraw/zinc/92/24/91/1039922491.db2.gz VXYHIRACDKUPAQ-CQSZACIVSA-N 0 3 320.392 3.821 20 30 DHEDHN C[C@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(C#N)cc1 ZINC000594915024 1039924201 /nfs/dbraw/zinc/92/42/01/1039924201.db2.gz OOKYRJGSDOPQFK-MGPUTAFESA-N 0 3 322.408 3.577 20 30 DHEDHN COCc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594914703 1039924741 /nfs/dbraw/zinc/92/47/41/1039924741.db2.gz JNCXERXQXQOHTK-UHFFFAOYSA-N 0 3 306.409 3.678 20 30 DHEDHN COC[C@H](C)Oc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000594930200 1039931360 /nfs/dbraw/zinc/93/13/60/1039931360.db2.gz UEBOUXRCEOUDRM-JKSUJKDBSA-N 0 3 324.424 3.823 20 30 DHEDHN CCOc1cc(CNC(C)(C)c2cccc(C#N)c2)ccc1OC ZINC000594970120 1039948788 /nfs/dbraw/zinc/94/87/88/1039948788.db2.gz YWFRGOZUYSXVTL-UHFFFAOYSA-N 0 3 324.424 3.990 20 30 DHEDHN CCCn1c2ccccc2nc1CNCCc1ccc(C#N)cc1 ZINC000594955052 1039963604 /nfs/dbraw/zinc/96/36/04/1039963604.db2.gz MBMDLIYGONVMGI-UHFFFAOYSA-N 0 3 318.424 3.650 20 30 DHEDHN C=CCCSCCNCc1conc1Cc1ccccc1 ZINC000594960540 1039965163 /nfs/dbraw/zinc/96/51/63/1039965163.db2.gz SBRVXYHLXRQTSM-UHFFFAOYSA-N 0 3 302.443 3.664 20 30 DHEDHN COc1cc(CNC(C)(C)c2cccc(C#N)c2)cc(OC)c1 ZINC000594966121 1039971152 /nfs/dbraw/zinc/97/11/52/1039971152.db2.gz LQWBDGQERZZLSZ-UHFFFAOYSA-N 0 3 310.397 3.600 20 30 DHEDHN C[C@@H](O)[C@@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000595005673 1040016574 /nfs/dbraw/zinc/01/65/74/1040016574.db2.gz CNQRACQVEMRYDK-OXQOHEQNSA-N 0 3 324.424 3.581 20 30 DHEDHN CC[C@H](CC(F)F)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000595473618 1040150584 /nfs/dbraw/zinc/15/05/84/1040150584.db2.gz YGFOWWYPTALGDR-CQSZACIVSA-N 0 3 307.388 3.620 20 30 DHEDHN C[C@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593091234 1040194955 /nfs/dbraw/zinc/19/49/55/1040194955.db2.gz LMRASJGQFOOBOK-AWEZNQCLSA-N 0 3 321.380 3.628 20 30 DHEDHN N#CC[C@H]1CCCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000595623951 1040195248 /nfs/dbraw/zinc/19/52/48/1040195248.db2.gz ZMIZLDNOWVDABT-QGZVFWFLSA-N 0 3 321.424 3.786 20 30 DHEDHN COc1ccc(C[C@H]2CCCCN2Cc2ccnc(C#N)c2)cc1 ZINC000593084232 1040196399 /nfs/dbraw/zinc/19/63/99/1040196399.db2.gz PSWSQMGLBRKSPI-LJQANCHMSA-N 0 3 321.424 3.559 20 30 DHEDHN Cc1c(CNC(C)(C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000595637317 1040199542 /nfs/dbraw/zinc/19/95/42/1040199542.db2.gz WZRHJVNMFHRUKF-UHFFFAOYSA-N 0 3 309.369 3.800 20 30 DHEDHN N#Cc1c(CN2CCC[C@@H]([C@H]3CCCCO3)C2)cn2ccccc12 ZINC000595788345 1040253113 /nfs/dbraw/zinc/25/31/13/1040253113.db2.gz JKAPEWKSNJPZQK-OXQOHEQNSA-N 0 3 323.440 3.592 20 30 DHEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966559 1040472413 /nfs/dbraw/zinc/47/24/13/1040472413.db2.gz CNGJJRAIUUGMLY-GDBMZVCRSA-N 0 3 300.402 3.940 20 30 DHEDHN N#CC1(c2ccc(CN3CCC[C@H]3c3ccccn3)cc2)CC1 ZINC000596981213 1040615022 /nfs/dbraw/zinc/61/50/22/1040615022.db2.gz KNQMMUHATHQROZ-IBGZPJMESA-N 0 3 303.409 3.974 20 30 DHEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000597132879 1040659130 /nfs/dbraw/zinc/65/91/30/1040659130.db2.gz MSROCIVYBWUZLL-ZWKOTPCHSA-N 0 3 310.441 3.631 20 30 DHEDHN C#CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])c1ccccc1 ZINC000761216800 1040683312 /nfs/dbraw/zinc/68/33/12/1040683312.db2.gz XSPXTTBXOZBOAE-MRXNPFEDSA-N 0 3 315.800 3.908 20 30 DHEDHN CCC(CC)[C@H]1C[C@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602015528 1040849486 /nfs/dbraw/zinc/84/94/86/1040849486.db2.gz LHTHJXJEDBUPPF-CRAIPNDOSA-N 0 3 304.409 3.771 20 30 DHEDHN N#Cc1c(F)cccc1CNC1CCN(c2cccs2)CC1 ZINC000602014691 1040850629 /nfs/dbraw/zinc/85/06/29/1040850629.db2.gz VQYWCJABSFUUKX-UHFFFAOYSA-N 0 3 315.417 3.517 20 30 DHEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000602002955 1040852108 /nfs/dbraw/zinc/85/21/08/1040852108.db2.gz CJFHZNGHGTVTPD-FXAWDEMLSA-N 0 3 324.399 3.955 20 30 DHEDHN N=C(N[C@@H]1CCc2cc(F)ccc2C1)c1ccc2ccccc2n1 ZINC001168412575 1041026685 /nfs/dbraw/zinc/02/66/85/1041026685.db2.gz QTYHDNLWNXMGLV-QGZVFWFLSA-N 0 3 319.383 3.637 20 30 DHEDHN COc1cc2c(cc1OC)[C@@H](N(C)Cc1ccc(C#N)cc1)CC2 ZINC000602438415 1041031926 /nfs/dbraw/zinc/03/19/26/1041031926.db2.gz IUPFNTFOSYUIEE-SFHVURJKSA-N 0 3 322.408 3.695 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1cnc(C)nc1C ZINC000602445144 1041035602 /nfs/dbraw/zinc/03/56/02/1041035602.db2.gz SVEKDICVMNVUFN-OAHLLOKOSA-N 0 3 308.429 3.938 20 30 DHEDHN C[C@H](N[C@@H](c1nnc[nH]1)C1CCCCC1)c1ccc(C#N)cc1 ZINC000602511471 1041077992 /nfs/dbraw/zinc/07/79/92/1041077992.db2.gz SHNOZVUILOKUBV-SUMWQHHRSA-N 0 3 309.417 3.649 20 30 DHEDHN C[C@H](CCC#N)CNCc1csc(CCc2ccccc2)n1 ZINC000602591311 1041105846 /nfs/dbraw/zinc/10/58/46/1041105846.db2.gz YXWGOTDUUBNCQQ-OAHLLOKOSA-N 0 3 313.470 3.958 20 30 DHEDHN N#CCOc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000060817688 1041116232 /nfs/dbraw/zinc/11/62/32/1041116232.db2.gz HJGQLGBINZUHNP-UHFFFAOYSA-N 0 3 320.314 3.898 20 30 DHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(C2CC2)cc1F ZINC000602670191 1041150395 /nfs/dbraw/zinc/15/03/95/1041150395.db2.gz BUEYNNIJEHYHBV-CQSZACIVSA-N 0 3 316.420 3.892 20 30 DHEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cnccc1C(C)(C)C ZINC000602688259 1041152410 /nfs/dbraw/zinc/15/24/10/1041152410.db2.gz ABSRXUDHLGZBDE-HNNXBMFYSA-N 0 3 315.461 3.568 20 30 DHEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000602679197 1041161461 /nfs/dbraw/zinc/16/14/61/1041161461.db2.gz PLHKANYYRUUVND-ZMSDIMECSA-N 0 3 314.429 3.587 20 30 DHEDHN C[C@H](CCC#N)CN(C)Cc1ccc(Br)cc1F ZINC000602727585 1041180381 /nfs/dbraw/zinc/18/03/81/1041180381.db2.gz DHUKVVFIWNTMDL-LLVKDONJSA-N 0 3 313.214 3.960 20 30 DHEDHN Cn1cc(C2=CCCN(Cc3ccccc3C(C)(C)C#N)C2)cn1 ZINC000602888799 1041291422 /nfs/dbraw/zinc/29/14/22/1041291422.db2.gz RMKUMCCVIWGHBL-UHFFFAOYSA-N 0 3 320.440 3.511 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CN(Cc1ccccc1Cl)CC1CC1 ZINC000598616575 1041362657 /nfs/dbraw/zinc/36/26/57/1041362657.db2.gz MDNYVFRYAGYOAF-INIZCTEOSA-N 0 3 320.864 3.853 20 30 DHEDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000081580682 192296128 /nfs/dbraw/zinc/29/61/28/192296128.db2.gz YSIYJBBWHAPHJB-QRWLVFNGSA-N 0 3 319.408 3.580 20 30 DHEDHN C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000081580684 192295832 /nfs/dbraw/zinc/29/58/32/192295832.db2.gz YSIYJBBWHAPHJB-YWZLYKJASA-N 0 3 319.408 3.580 20 30 DHEDHN C=CC[C@@H](CC)N[C@H](C)c1cc(Br)ncc1F ZINC000281685022 334987399 /nfs/dbraw/zinc/98/73/99/334987399.db2.gz RTHGVBZXVKQSCQ-NXEZZACHSA-N 0 3 301.203 3.989 20 30 DHEDHN C(#Cc1ccccc1)CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000192160780 335027049 /nfs/dbraw/zinc/02/70/49/335027049.db2.gz UTDCXOQJSDGXMR-TZIWHRDSSA-N 0 3 305.421 3.796 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000442718332 335049047 /nfs/dbraw/zinc/04/90/47/335049047.db2.gz LLECBTPBZLEVQF-QAPCUYQASA-N 0 3 319.408 3.721 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(NC(=O)[C@@H](C)CC)c2)cc1 ZINC000289319246 335061470 /nfs/dbraw/zinc/06/14/70/335061470.db2.gz SVDOYMBKTRLHFF-INIZCTEOSA-N 0 3 320.436 3.942 20 30 DHEDHN CN1CCC(Oc2ccc(CNc3ccc(C#N)cc3)cc2)CC1 ZINC000286129245 131220822 /nfs/dbraw/zinc/22/08/22/131220822.db2.gz AJJZQAYQSYIIDT-UHFFFAOYSA-N 0 3 321.424 3.643 20 30 DHEDHN Cc1cnccc1OC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000289392170 131381449 /nfs/dbraw/zinc/38/14/49/131381449.db2.gz MPZNFIHXBSDSDT-INIZCTEOSA-N 0 3 321.424 3.866 20 30 DHEDHN CCOc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccc1O ZINC000297895838 132039408 /nfs/dbraw/zinc/03/94/08/132039408.db2.gz RHPONLDYIBOANR-UHFFFAOYSA-N 0 3 322.408 3.827 20 30 DHEDHN CCN(CC)[C@@H](CNc1ncccc1C#N)c1ccsc1 ZINC000298470972 132064072 /nfs/dbraw/zinc/06/40/72/132064072.db2.gz PNGZIDALJCIORN-HNNXBMFYSA-N 0 3 300.431 3.510 20 30 DHEDHN CCN(CC)[C@H](CNc1ncccc1C#N)c1ccsc1 ZINC000298470976 132064339 /nfs/dbraw/zinc/06/43/39/132064339.db2.gz PNGZIDALJCIORN-OAHLLOKOSA-N 0 3 300.431 3.510 20 30 DHEDHN C=CCOc1cccc(CN2CCC3(CC(OCC)C3)C2)c1 ZINC000289805887 335065689 /nfs/dbraw/zinc/06/56/89/335065689.db2.gz SOIQQGJSDJAPON-UHFFFAOYSA-N 0 3 301.430 3.642 20 30 DHEDHN C#Cc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000290193528 335070060 /nfs/dbraw/zinc/07/00/60/335070060.db2.gz CJXHCLWRBWOFSL-UHFFFAOYSA-N 0 3 309.384 3.603 20 30 DHEDHN C#Cc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1 ZINC000290298448 335070854 /nfs/dbraw/zinc/07/08/54/335070854.db2.gz HOWGFCWWGYHPDT-UHFFFAOYSA-N 0 3 309.384 3.603 20 30 DHEDHN C#Cc1ccc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000290468991 335071726 /nfs/dbraw/zinc/07/17/26/335071726.db2.gz UPSPQSZHZQFUMG-CTNGQTDRSA-N 0 3 305.421 3.925 20 30 DHEDHN C=CCCCCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290367939 335072818 /nfs/dbraw/zinc/07/28/18/335072818.db2.gz AHSBCGNOTLCNRH-IRXDYDNUSA-N 0 3 315.413 3.544 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNc1ccnc(C(C)C)n1)C(C)C ZINC000521239355 434876769 /nfs/dbraw/zinc/87/67/69/434876769.db2.gz IMOBSEMPLADULU-INIZCTEOSA-N 0 3 302.466 3.711 20 30 DHEDHN C[C@@H](NCCNc1ccc2ccccc2n1)c1ccc(C#N)cc1 ZINC000611438707 435357321 /nfs/dbraw/zinc/35/73/21/435357321.db2.gz PJFXNCPRGJZKJA-OAHLLOKOSA-N 0 3 316.408 3.869 20 30 DHEDHN N#Cc1ccccc1CSCCNCc1ccccc1F ZINC000170670703 332864208 /nfs/dbraw/zinc/86/42/08/332864208.db2.gz CWVZWUUFMZIULN-UHFFFAOYSA-N 0 3 300.402 3.720 20 30 DHEDHN C=CC[C@@H](CO)N[C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000186709154 331469726 /nfs/dbraw/zinc/46/97/26/331469726.db2.gz HULSIKPTDVTZLP-YPMHNXCESA-N 0 3 320.433 3.845 20 30 DHEDHN Cc1cc(C#N)ccc1-c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000533496777 331548722 /nfs/dbraw/zinc/54/87/22/331548722.db2.gz GZXWTOIPHZWMLR-UHFFFAOYSA-N 0 3 318.380 3.645 20 30 DHEDHN CC(C)[C@@H]1C[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000558189566 331882308 /nfs/dbraw/zinc/88/23/08/331882308.db2.gz IVKLJOYYMHICOQ-YEWWUXTCSA-N 0 3 304.409 3.799 20 30 DHEDHN CC(C)(C)OC(=O)c1cccc(CN2CCC(CC#N)CC2)c1 ZINC000558607623 331926357 /nfs/dbraw/zinc/92/63/57/331926357.db2.gz RSUKOAWWBDUVHD-UHFFFAOYSA-N 0 3 314.429 3.768 20 30 DHEDHN COc1ccc([C@@H](Cc2ccncc2)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000518167178 331994391 /nfs/dbraw/zinc/99/43/91/331994391.db2.gz QWZFNZJDORHRCE-ILZDJORESA-N 0 3 321.424 3.656 20 30 DHEDHN N#CCCCCN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000103492983 332940112 /nfs/dbraw/zinc/94/01/12/332940112.db2.gz MPXGGJDGJHFGHX-UHFFFAOYSA-N 0 3 310.401 3.610 20 30 DHEDHN N#CCC1(CN[C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449301398 332015827 /nfs/dbraw/zinc/01/58/27/332015827.db2.gz RIRPCTJSBOYOKS-CYBMUJFWSA-N 0 3 323.209 3.859 20 30 DHEDHN C=C(C)COc1cc(CN2CCS[C@@H](C)CC2)ccc1OC ZINC000426389109 332107236 /nfs/dbraw/zinc/10/72/36/332107236.db2.gz CSKKNLOGQDETIO-HNNXBMFYSA-N 0 3 321.486 3.978 20 30 DHEDHN C=CCN1CC[C@H](N(CCC)[C@@H](CC)c2ccccc2)C1=O ZINC000410337359 332113774 /nfs/dbraw/zinc/11/37/74/332113774.db2.gz AMVVVWTWVPTIDE-ROUUACIJSA-N 0 3 300.446 3.637 20 30 DHEDHN C=CCN1CC[C@H](N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)C1=O ZINC000410380680 332121359 /nfs/dbraw/zinc/12/13/59/332121359.db2.gz HRMHKCGAGGKXEU-YTQUADARSA-N 0 3 312.457 3.555 20 30 DHEDHN C[C@H]1C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CN1C1CC1 ZINC000317815575 332200392 /nfs/dbraw/zinc/20/03/92/332200392.db2.gz YGIZZFJPZVTPJJ-JQWIXIFHSA-N 0 3 309.335 3.614 20 30 DHEDHN N#C[C@@H]1CC[C@H](NC/C=C\c2ccc(Br)cc2)C1 ZINC000449450372 332203634 /nfs/dbraw/zinc/20/36/34/332203634.db2.gz BGXYCLMYHURMDA-CYDCXJKDSA-N 0 3 305.219 3.744 20 30 DHEDHN COc1ccc2[nH]cc(C3=CCN(CCCCC#N)CC3)c2c1 ZINC000102397551 332225401 /nfs/dbraw/zinc/22/54/01/332225401.db2.gz SOKFEIJTYDIMTF-UHFFFAOYSA-N 0 3 309.413 3.959 20 30 DHEDHN CC1(C)CN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCC[C@@H]21 ZINC000559427737 332257890 /nfs/dbraw/zinc/25/78/90/332257890.db2.gz VSEBLBDJSSZGIB-HOTGVXAUSA-N 0 3 322.412 3.619 20 30 DHEDHN C=CC(C)(C)CNCc1nc2cc(C(F)(F)F)ccc2n1C ZINC000449483789 332283046 /nfs/dbraw/zinc/28/30/46/332283046.db2.gz CFTZTDFRDWMHSE-UHFFFAOYSA-N 0 3 311.351 3.894 20 30 DHEDHN COc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000237243856 332329116 /nfs/dbraw/zinc/32/91/16/332329116.db2.gz PDJQMNQGXZCLAI-UHFFFAOYSA-N 0 3 310.397 3.668 20 30 DHEDHN C=CCCC(=O)CS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000574277718 332339883 /nfs/dbraw/zinc/33/98/83/332339883.db2.gz ZVAUDFVZSXROLH-GOSISDBHSA-N 0 3 303.471 3.920 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000237401465 332346912 /nfs/dbraw/zinc/34/69/12/332346912.db2.gz LRKDMCGFJNDCCH-WMLDXEAASA-N 0 3 314.454 3.599 20 30 DHEDHN Cc1ccc(OCCNCc2cccc(OCCCC#N)c2)cc1 ZINC000237722426 332387130 /nfs/dbraw/zinc/38/71/30/332387130.db2.gz NSWNDDBCXNNQEJ-UHFFFAOYSA-N 0 3 324.424 3.846 20 30 DHEDHN C=CCC(C)(C)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000293753598 335112711 /nfs/dbraw/zinc/11/27/11/335112711.db2.gz KRMMFHBGRCSBMN-UHFFFAOYSA-N 0 3 314.429 3.827 20 30 DHEDHN N#CC1(c2ccccn2)CCN(CC2CCC(F)(F)CC2)CC1 ZINC000562683752 332616153 /nfs/dbraw/zinc/61/61/53/332616153.db2.gz LKSDIBAXRCCMDM-UHFFFAOYSA-N 0 3 319.399 3.764 20 30 DHEDHN Cc1cc(CNCCOc2ccc(Cl)cc2)ccc1C#N ZINC000443979431 332647309 /nfs/dbraw/zinc/64/73/09/332647309.db2.gz NXBPHIADTIDCQS-UHFFFAOYSA-N 0 3 300.789 3.689 20 30 DHEDHN N#CCc1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000569971332 332697916 /nfs/dbraw/zinc/69/79/16/332697916.db2.gz SJVUNPMLLBFHQB-IBGZPJMESA-N 0 3 308.450 3.873 20 30 DHEDHN Cc1cc(C)cc(OCCN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000570369313 332745348 /nfs/dbraw/zinc/74/53/48/332745348.db2.gz NMWBCFZLSRIPSE-HXUWFJFHSA-N 0 3 306.409 3.831 20 30 DHEDHN CN(CCCCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000171031920 333044618 /nfs/dbraw/zinc/04/46/18/333044618.db2.gz LBMZZMPULSZDQT-GJZGRUSLSA-N 0 3 313.228 3.577 20 30 DHEDHN C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000171247645 333046563 /nfs/dbraw/zinc/04/65/63/333046563.db2.gz QDOUFLWLKAKOHM-KFWWJZLASA-N 0 3 313.445 3.688 20 30 DHEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1nccc(C#N)c1Cl ZINC000309714775 333191379 /nfs/dbraw/zinc/19/13/79/333191379.db2.gz KKEGAJWHAOBIMX-ZDUSSCGKSA-N 0 3 314.820 3.539 20 30 DHEDHN Cn1cc([C@H](NCCCC(C)(C)C#N)c2ccc(F)cc2)cn1 ZINC000184603002 333198531 /nfs/dbraw/zinc/19/85/31/333198531.db2.gz CPCCZERKNPMDCL-QGZVFWFLSA-N 0 3 314.408 3.568 20 30 DHEDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185759538 333213579 /nfs/dbraw/zinc/21/35/79/333213579.db2.gz WGTYSFGGGZOHCS-SJORKVTESA-N 0 3 308.429 3.661 20 30 DHEDHN CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000185792315 333213994 /nfs/dbraw/zinc/21/39/94/333213994.db2.gz JAYLUWIXJDLIAP-IMJJTQAJSA-N 0 3 300.402 3.581 20 30 DHEDHN CCOCCOc1cc(C)ccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185861962 333215155 /nfs/dbraw/zinc/21/51/55/333215155.db2.gz FFWQPMPGEFIXDE-WMZOPIPTSA-N 0 3 316.445 3.582 20 30 DHEDHN CCOc1ccccc1OC1CCN(CCCCC#N)CC1 ZINC000364042814 333225028 /nfs/dbraw/zinc/22/50/28/333225028.db2.gz ROURHEIGWXFOND-UHFFFAOYSA-N 0 3 302.418 3.622 20 30 DHEDHN CCN(CCOc1cccc(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497591210 333266451 /nfs/dbraw/zinc/26/64/51/333266451.db2.gz WCEUDVKJNHQOLE-INIZCTEOSA-N 0 3 319.408 3.892 20 30 DHEDHN COc1ccc([C@H](NCc2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000191900300 333283548 /nfs/dbraw/zinc/28/35/48/333283548.db2.gz ZGZFAUFPQPBWGS-HXUWFJFHSA-N 0 3 322.408 3.838 20 30 DHEDHN C=CCOc1ccccc1CNC[C@H](C)N(C)Cc1ccccc1 ZINC000390575494 333302821 /nfs/dbraw/zinc/30/28/21/333302821.db2.gz DCEVRDMKCYRXMB-SFHVURJKSA-N 0 3 324.468 3.862 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000120674808 333305389 /nfs/dbraw/zinc/30/53/89/333305389.db2.gz CBTCFQQWXRTDDG-ZIAGYGMSSA-N 0 3 307.397 3.928 20 30 DHEDHN CC(C)c1nccn1C[C@H]1CCCN1CC#Cc1ccccc1 ZINC000365235815 333399528 /nfs/dbraw/zinc/39/95/28/333399528.db2.gz YZBXVDSJNRVEKY-LJQANCHMSA-N 0 3 307.441 3.523 20 30 DHEDHN C=C(C)COc1cc(CNCc2cccc(C#N)c2)ccc1OC ZINC000066971939 335143896 /nfs/dbraw/zinc/14/38/96/335143896.db2.gz HDXJKANJPUENAI-UHFFFAOYSA-N 0 3 322.408 3.812 20 30 DHEDHN N#CCCCOc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000066971899 335144038 /nfs/dbraw/zinc/14/40/38/335144038.db2.gz JMVGTSWFBZOHMN-UHFFFAOYSA-N 0 3 305.381 3.531 20 30 DHEDHN CC#CCCN1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296392361 335144253 /nfs/dbraw/zinc/14/42/53/335144253.db2.gz SQCIRULNIYOEDH-UHFFFAOYSA-N 0 3 302.365 3.755 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3ccccc3Cl)CC2)C1 ZINC000339052346 333507398 /nfs/dbraw/zinc/50/73/98/333507398.db2.gz OFNBWKYSVYSTRJ-KGLIPLIRSA-N 0 3 304.821 3.875 20 30 DHEDHN C=C(C)COCCNCc1ccccc1OCc1ccccc1 ZINC000531629857 333539122 /nfs/dbraw/zinc/53/91/22/333539122.db2.gz RNTDRHDJSUALSO-UHFFFAOYSA-N 0 3 311.425 3.948 20 30 DHEDHN CCN(CC)[C@@H](CNc1nc2c(cc1C#N)CCC2)c1ccco1 ZINC000343355721 335155000 /nfs/dbraw/zinc/15/50/00/335155000.db2.gz ZWMYXCHZEYNBRJ-KRWDZBQOSA-N 0 3 324.428 3.530 20 30 DHEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000411476953 333679263 /nfs/dbraw/zinc/67/92/63/333679263.db2.gz CEGTZLONZBKMPX-IVZQSRNASA-N 0 3 318.486 3.939 20 30 DHEDHN C=CCC[C@H](NCC(=O)N1CCCC[C@@H]1C)c1ccccc1 ZINC000411479131 333679459 /nfs/dbraw/zinc/67/94/59/333679459.db2.gz YXDVIPSZMGSQJI-WMZOPIPTSA-N 0 3 300.446 3.685 20 30 DHEDHN CC[C@@H](NCCC(=O)Nc1ccccc1C#N)c1cccs1 ZINC000411511537 333685924 /nfs/dbraw/zinc/68/59/24/333685924.db2.gz JLBWOASMVZENIN-CQSZACIVSA-N 0 3 313.426 3.689 20 30 DHEDHN C=CCOc1ccccc1CNC[C@H](CO)C1CCCCC1 ZINC000571505062 333806992 /nfs/dbraw/zinc/80/69/92/333806992.db2.gz KZLVYVWKPPCMGS-GOSISDBHSA-N 0 3 303.446 3.530 20 30 DHEDHN C=C(C)COc1cc(CN(C)CC[C@@H]2CCCO2)ccc1OC ZINC000343477598 335168401 /nfs/dbraw/zinc/16/84/01/335168401.db2.gz WPUSUZUKELHASP-KRWDZBQOSA-N 0 3 319.445 3.651 20 30 DHEDHN C=C(C)COc1cc(CN[C@@H]2CS[C@@H](C)C2)ccc1OC ZINC000414506858 334001017 /nfs/dbraw/zinc/00/10/17/334001017.db2.gz XOZTURRZBPFYBJ-ZFWWWQNUSA-N 0 3 307.459 3.634 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000571646245 334001898 /nfs/dbraw/zinc/00/18/98/334001898.db2.gz OYJBJXGMNYZBBQ-GOSISDBHSA-N 0 3 311.385 3.789 20 30 DHEDHN C=CC[C@H](Cc1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000414540328 334013108 /nfs/dbraw/zinc/01/31/08/334013108.db2.gz ULJSYZUIIBZJHC-OAHLLOKOSA-N 0 3 302.399 3.933 20 30 DHEDHN C[C@@H](NCc1cccc(N(C)C)c1)c1ccc(OCC#N)cc1 ZINC000271869547 334027735 /nfs/dbraw/zinc/02/77/35/334027735.db2.gz VXWCKMZPEOPXJC-OAHLLOKOSA-N 0 3 309.413 3.506 20 30 DHEDHN CC(C)(C#N)CCNC1(c2ccc(Br)cc2)CC1 ZINC000272070956 334030442 /nfs/dbraw/zinc/03/04/42/334030442.db2.gz YWCKWASYPAUTRW-UHFFFAOYSA-N 0 3 307.235 3.968 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCOc3c(Br)cccc32)C1 ZINC000274618391 334064072 /nfs/dbraw/zinc/06/40/72/334064072.db2.gz LSMOMBVYSWATQX-UHIISALHSA-N 0 3 321.218 3.555 20 30 DHEDHN C[C@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cn2)CC1 ZINC000571654736 334071957 /nfs/dbraw/zinc/07/19/57/334071957.db2.gz VHZWOSQXRGQQFU-FQEVSTJZSA-N 0 3 305.425 3.897 20 30 DHEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1F ZINC000275762666 334073118 /nfs/dbraw/zinc/07/31/18/334073118.db2.gz TYBLGLDHURPYCI-HOSYDEDBSA-N 0 3 311.198 3.931 20 30 DHEDHN C[C@H](CCC#N)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000276330289 334075782 /nfs/dbraw/zinc/07/57/82/334075782.db2.gz QYYXWAUDROTVML-DYVFJYSZSA-N 0 3 306.837 3.778 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC(Oc2ncccc2F)CC1 ZINC000278285187 334094653 /nfs/dbraw/zinc/09/46/53/334094653.db2.gz KKFBNJFWSSHOLF-UHFFFAOYSA-N 0 3 319.424 3.784 20 30 DHEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1ccc(C#N)cc1 ZINC000278735619 334100437 /nfs/dbraw/zinc/10/04/37/334100437.db2.gz NBGLOESHLCGHAD-IBGZPJMESA-N 0 3 305.381 3.702 20 30 DHEDHN CC(C)CCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279564356 334110248 /nfs/dbraw/zinc/11/02/48/334110248.db2.gz XYMGPWMIFWWRPV-MAUKXSAKSA-N 0 3 311.429 3.572 20 30 DHEDHN C[C@@H](CCC(C)(C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280380755 334116941 /nfs/dbraw/zinc/11/69/41/334116941.db2.gz JVPSYCADKIWRPT-WMLDXEAASA-N 0 3 311.429 3.572 20 30 DHEDHN C[C@@H]1c2ccsc2CCN1CCCC1(C#N)CCOCC1 ZINC000281959884 334130022 /nfs/dbraw/zinc/13/00/22/334130022.db2.gz KIANNYUSVIILID-CQSZACIVSA-N 0 3 304.459 3.768 20 30 DHEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1cccc(F)c1F ZINC000282144763 334132035 /nfs/dbraw/zinc/13/20/35/334132035.db2.gz ZUHKPWGIAYKWPA-CYBMUJFWSA-N 0 3 308.372 3.716 20 30 DHEDHN N#CC1CCC(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000282284034 334133147 /nfs/dbraw/zinc/13/31/47/334133147.db2.gz ILAOAYNGHLIQFP-UHFFFAOYSA-N 0 3 307.781 3.668 20 30 DHEDHN CN1CCN(CCCCC(C)(C)C#N)C[C@@H]1Cc1ccccc1 ZINC000284780653 334144496 /nfs/dbraw/zinc/14/44/96/334144496.db2.gz NXHUYRNNWCWEDF-IBGZPJMESA-N 0 3 313.489 3.565 20 30 DHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1F ZINC000290406317 334172711 /nfs/dbraw/zinc/17/27/11/334172711.db2.gz TYBLGLDHURPYCI-JFGNBEQYSA-N 0 3 311.198 3.931 20 30 DHEDHN C[C@H](N[C@@H](C)[C@H]1OCCc2sccc21)c1cccc(C#N)c1 ZINC000291863738 334182576 /nfs/dbraw/zinc/18/25/76/334182576.db2.gz HSTDEPDELHEEJK-ZJNRKIDTSA-N 0 3 312.438 3.973 20 30 DHEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000293026443 334195334 /nfs/dbraw/zinc/19/53/34/334195334.db2.gz RFDFOTFVZQQHFK-CYBMUJFWSA-N 0 3 300.381 3.602 20 30 DHEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@@H](O)Cc1ccccc1 ZINC000293477817 334198179 /nfs/dbraw/zinc/19/81/79/334198179.db2.gz XXLFIACTAILRTE-IBGZPJMESA-N 0 3 322.452 3.523 20 30 DHEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@H](O)Cc1ccccc1 ZINC000293477825 334198331 /nfs/dbraw/zinc/19/83/31/334198331.db2.gz XXLFIACTAILRTE-LJQANCHMSA-N 0 3 322.452 3.523 20 30 DHEDHN C[C@H](c1cccc(C(F)(F)F)c1)N(C)CCOCCC#N ZINC000293548250 334199013 /nfs/dbraw/zinc/19/90/13/334199013.db2.gz RABCKTMBPKPMOC-GFCCVEGCSA-N 0 3 300.324 3.628 20 30 DHEDHN N#C[C@H]1CC[C@H](N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC000293893797 334203127 /nfs/dbraw/zinc/20/31/27/334203127.db2.gz ZHHWVODZYPHETA-QLIIJSOBSA-N 0 3 306.409 3.743 20 30 DHEDHN N#CC[C@@H]1CC[C@H](NCc2cc(F)ccc2Br)C1 ZINC000294927373 334214318 /nfs/dbraw/zinc/21/43/18/334214318.db2.gz BJDMKKYLMSGYKP-GWCFXTLKSA-N 0 3 311.198 3.760 20 30 DHEDHN COc1ccc(CN[C@H]2CC[C@@H](CC#N)C2)c(Br)c1 ZINC000294998786 334215192 /nfs/dbraw/zinc/21/51/92/334215192.db2.gz IDYJOXGFLVTZGO-AAEUAGOBSA-N 0 3 323.234 3.630 20 30 DHEDHN COc1ccc(CNCCC(C)(F)F)cc1OCCCC#N ZINC000296057568 334229560 /nfs/dbraw/zinc/22/95/60/334229560.db2.gz PCKHELSXFKCRBQ-UHFFFAOYSA-N 0 3 312.360 3.513 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000299309354 334254581 /nfs/dbraw/zinc/25/45/81/334254581.db2.gz DJRIEQHEEVGISI-FQEVSTJZSA-N 0 3 323.415 3.953 20 30 DHEDHN COc1ccc([C@H](C)N[C@H](C)CCC#N)cc1Br ZINC000299714783 334257561 /nfs/dbraw/zinc/25/75/61/334257561.db2.gz RCRTTWCJZSNYBH-MNOVXSKESA-N 0 3 311.223 3.801 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1c1cccc(C)c1C ZINC000303858681 334338872 /nfs/dbraw/zinc/33/88/72/334338872.db2.gz GAUFOVZZZWEWJL-LJQANCHMSA-N 0 3 314.473 3.865 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1c1cccc(C)c1C ZINC000303858680 334338877 /nfs/dbraw/zinc/33/88/77/334338877.db2.gz GAUFOVZZZWEWJL-IBGZPJMESA-N 0 3 314.473 3.865 20 30 DHEDHN C[C@@H]1[C@@H](Nc2c(C#N)cccc2C#N)CCN1Cc1ccccc1 ZINC000340813729 334387339 /nfs/dbraw/zinc/38/73/39/334387339.db2.gz DUMULOFHKBSULB-BEFAXECRSA-N 0 3 316.408 3.505 20 30 DHEDHN CC1CCN([C@H](CNc2cc(C#N)ccn2)c2ccccc2)CC1 ZINC000341602769 334460951 /nfs/dbraw/zinc/46/09/51/334460951.db2.gz XYXVLPLAJDRPEC-LJQANCHMSA-N 0 3 320.440 3.838 20 30 DHEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341705377 334472328 /nfs/dbraw/zinc/47/23/28/334472328.db2.gz NUUNKPVOWPFWDT-CXAGYDPISA-N 0 3 314.429 3.646 20 30 DHEDHN CCOc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)ccc1O ZINC000341708715 334472653 /nfs/dbraw/zinc/47/26/53/334472653.db2.gz UIPWUCSYUKAQCK-GOSISDBHSA-N 0 3 322.408 3.830 20 30 DHEDHN CCOc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)ccc1O ZINC000341708728 334472699 /nfs/dbraw/zinc/47/26/99/334472699.db2.gz UIPWUCSYUKAQCK-SFHVURJKSA-N 0 3 322.408 3.830 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2CCO[C@@H]2c2ccccc2)c(F)c1 ZINC000343220378 334688293 /nfs/dbraw/zinc/68/82/93/334688293.db2.gz FZSNWGVQDCQENK-PKOBYXMFSA-N 0 3 310.372 3.565 20 30 DHEDHN COCCCOc1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000444002521 338466615 /nfs/dbraw/zinc/46/66/15/338466615.db2.gz OKXPCGGTENSGFQ-UHFFFAOYSA-N 0 3 324.424 3.572 20 30 DHEDHN CC[C@@H](C)N[C@H](CNc1ncc(C#N)cc1Cl)c1ccco1 ZINC000343269756 334890382 /nfs/dbraw/zinc/89/03/82/334890382.db2.gz ZDKSQHHBTISDCD-BXUZGUMPSA-N 0 3 318.808 3.741 20 30 DHEDHN COc1ccccc1[C@H](CN[C@H](C)c1cccc(C#N)c1)N(C)C ZINC000344105332 335223707 /nfs/dbraw/zinc/22/37/07/335223707.db2.gz WMHQSARCUZTTMG-BEFAXECRSA-N 0 3 323.440 3.520 20 30 DHEDHN COc1cc(CNCCCC#N)c(-c2ccccc2)cc1OC ZINC000344340878 335242677 /nfs/dbraw/zinc/24/26/77/335242677.db2.gz ZXNIGZLXDOHYTJ-UHFFFAOYSA-N 0 3 310.397 3.764 20 30 DHEDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C12CCC2 ZINC000346203847 335390202 /nfs/dbraw/zinc/39/02/02/335390202.db2.gz RVEZNXRJTAVKPC-CSMYWGQOSA-N 0 3 302.393 3.696 20 30 DHEDHN Cc1cc(CN[C@H](CCO)c2ccc(Cl)cc2)ccc1C#N ZINC000347422401 335495279 /nfs/dbraw/zinc/49/52/79/335495279.db2.gz FVOBTRGMEZOMSO-GOSISDBHSA-N 0 3 314.816 3.733 20 30 DHEDHN CCCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000349827603 335704066 /nfs/dbraw/zinc/70/40/66/335704066.db2.gz JRLPWSUOAPCYGS-GOEBONIOSA-N 0 3 302.418 3.656 20 30 DHEDHN N#Cc1csc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000350249595 335738661 /nfs/dbraw/zinc/73/86/61/335738661.db2.gz MGUQHQQYUFBAIQ-UHFFFAOYSA-N 0 3 321.789 3.514 20 30 DHEDHN Cc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C2 ZINC000520667025 336004444 /nfs/dbraw/zinc/00/44/44/336004444.db2.gz ZBHFJSGEJXQDIL-GUYCJALGSA-N 0 3 310.372 3.660 20 30 DHEDHN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@@H](C2CC2)C1 ZINC000329628345 336016203 /nfs/dbraw/zinc/01/62/03/336016203.db2.gz HGBBGRJBZXRWTN-GXTWGEPZSA-N 0 3 316.401 3.514 20 30 DHEDHN CC(C)c1ccccc1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330205626 336124397 /nfs/dbraw/zinc/12/43/97/336124397.db2.gz CPYSRPVXTVYQOA-VHSSKADRSA-N 0 3 316.445 3.944 20 30 DHEDHN COc1ccc(C#N)cc1CN[C@@H](CC(F)(F)F)C(C)C ZINC000445904504 338514995 /nfs/dbraw/zinc/51/49/95/338514995.db2.gz QVGKSWVFZWUWGY-ZDUSSCGKSA-N 0 3 300.324 3.633 20 30 DHEDHN C[C@@H](C1CC1)n1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)cn1 ZINC000330324265 336158367 /nfs/dbraw/zinc/15/83/67/336158367.db2.gz UAVUDRDYHADVAQ-GUYCJALGSA-N 0 3 316.449 3.849 20 30 DHEDHN C=CCC(C)(C)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000352469620 336220784 /nfs/dbraw/zinc/22/07/84/336220784.db2.gz FBUGKFDSQLSHRU-UHFFFAOYSA-N 0 3 300.446 3.615 20 30 DHEDHN C=CCCCN(C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000532414617 336245631 /nfs/dbraw/zinc/24/56/31/336245631.db2.gz PGHNIOMKZCSEQK-CQSZACIVSA-N 0 3 308.853 3.757 20 30 DHEDHN C[C@H](NC[C@@H](c1ccco1)N1CCCC1)c1cccc(C#N)c1 ZINC000192935596 336285256 /nfs/dbraw/zinc/28/52/56/336285256.db2.gz GMHGSSBMQWILJK-YJBOKZPZSA-N 0 3 309.413 3.639 20 30 DHEDHN N#Cc1ccc(NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000301110453 336290457 /nfs/dbraw/zinc/29/04/57/336290457.db2.gz MWNJPQWJJACTGL-INIZCTEOSA-N 0 3 311.454 3.944 20 30 DHEDHN C[C@H](CNc1ccc(C#N)cc1F)N1CCc2ccccc2C1 ZINC000301163524 336292819 /nfs/dbraw/zinc/29/28/19/336292819.db2.gz UUEQRFSEVZPEEH-CQSZACIVSA-N 0 3 309.388 3.556 20 30 DHEDHN CCN(CC)[C@@H](CNc1ccc(F)cc1C#N)c1ccco1 ZINC000301340958 336301558 /nfs/dbraw/zinc/30/15/58/336301558.db2.gz FPGCBZBDRVEXMR-INIZCTEOSA-N 0 3 301.365 3.785 20 30 DHEDHN CN(C)[C@H](CNc1ccc(F)cc1C#N)c1cccc(F)c1 ZINC000301370483 336302988 /nfs/dbraw/zinc/30/29/88/336302988.db2.gz SHVRBDZMWMDGLZ-QGZVFWFLSA-N 0 3 301.340 3.551 20 30 DHEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](C2CCCCC2)N(C)C)c1 ZINC000302008869 336342814 /nfs/dbraw/zinc/34/28/14/336342814.db2.gz BOBFEFYIGFFEHR-IBGZPJMESA-N 0 3 313.445 3.683 20 30 DHEDHN C=C(C)CN1CCC(Nc2ccc(Br)c(C)n2)CC1 ZINC000302086697 336347779 /nfs/dbraw/zinc/34/77/79/336347779.db2.gz NRXRFQFJJBYTOH-UHFFFAOYSA-N 0 3 324.266 3.605 20 30 DHEDHN CC(=O)c1ccc(C#N)c(N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1 ZINC000302107567 336348858 /nfs/dbraw/zinc/34/88/58/336348858.db2.gz OEAWZJFPZYSZES-RBSFLKMASA-N 0 3 313.445 3.539 20 30 DHEDHN C=C(C)CN(CC[C@@H]1CCCCO1)Cc1cnn(C(C)C)c1 ZINC000352921251 336377222 /nfs/dbraw/zinc/37/72/22/336377222.db2.gz HFCFTGSEIYUNAQ-SFHVURJKSA-N 0 3 305.466 3.801 20 30 DHEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000514626247 336386287 /nfs/dbraw/zinc/38/62/87/336386287.db2.gz UDQWVOMCCAKTTJ-RCCFBDPRSA-N 0 3 310.441 3.796 20 30 DHEDHN C=CCOc1cccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000353189286 336405850 /nfs/dbraw/zinc/40/58/50/336405850.db2.gz HNFRWENTUTYBJB-SFTDATJTSA-N 0 3 323.436 3.507 20 30 DHEDHN C=CCOc1cccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000353188585 336405905 /nfs/dbraw/zinc/40/59/05/336405905.db2.gz HNFRWENTUTYBJB-RTWAWAEBSA-N 0 3 323.436 3.507 20 30 DHEDHN COc1ccc([C@H](Cc2ccncc2)NCC2(CC#N)CC2)cc1 ZINC000353583098 336426911 /nfs/dbraw/zinc/42/69/11/336426911.db2.gz AAUXRRXIHPXLLW-IBGZPJMESA-N 0 3 321.424 3.657 20 30 DHEDHN CCc1nc(CCN[C@@H](C)c2ccc(C#N)cc2F)cs1 ZINC000358565735 336634846 /nfs/dbraw/zinc/63/48/46/336634846.db2.gz HVZIAILTKGZSNI-NSHDSACASA-N 0 3 303.406 3.610 20 30 DHEDHN Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358567903 336634864 /nfs/dbraw/zinc/63/48/64/336634864.db2.gz KOEBQMASPLSPJK-QWRGUYRKSA-N 0 3 301.365 3.757 20 30 DHEDHN C=CCSCCN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358965222 336649969 /nfs/dbraw/zinc/64/99/69/336649969.db2.gz MMBCUPMDLXHHBW-QGZVFWFLSA-N 0 3 313.470 3.759 20 30 DHEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000359465249 336674087 /nfs/dbraw/zinc/67/40/87/336674087.db2.gz IJSKNEUYABYFPW-NFAWXSAZSA-N 0 3 319.399 3.678 20 30 DHEDHN Cc1nc(NC[C@H](c2ccccc2)N(C)C)c(Cl)cc1C#N ZINC000359844510 336689415 /nfs/dbraw/zinc/68/94/15/336689415.db2.gz SGRDXRZPIGKUEZ-MRXNPFEDSA-N 0 3 314.820 3.630 20 30 DHEDHN C=CCSc1ccccc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000362391516 336795379 /nfs/dbraw/zinc/79/53/79/336795379.db2.gz XIUYJZLHWXNDFR-HNNXBMFYSA-N 0 3 318.486 3.569 20 30 DHEDHN C[C@@H](N[C@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000368137523 336839281 /nfs/dbraw/zinc/83/92/81/336839281.db2.gz AQKCXJVAFKWSEE-PBHICJAKSA-N 0 3 309.388 3.627 20 30 DHEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCOCC2)cc1 ZINC000369346418 336862983 /nfs/dbraw/zinc/86/29/83/336862983.db2.gz XTZHYCQYPBBMFV-FQEVSTJZSA-N 0 3 306.409 3.816 20 30 DHEDHN Cn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)c(C(C)(C)C)n1 ZINC000418151446 336898084 /nfs/dbraw/zinc/89/80/84/336898084.db2.gz XIGAJMSSRMIUJR-GOSISDBHSA-N 0 3 322.456 3.756 20 30 DHEDHN C[C@@H](Nc1ccncc1-c1cccnc1)c1ccc(C#N)cc1 ZINC000376101180 337027071 /nfs/dbraw/zinc/02/70/71/337027071.db2.gz CRNSPRIYMVUBHO-CQSZACIVSA-N 0 3 300.365 3.610 20 30 DHEDHN N#Cc1ccc([C@H](O)CN[C@H](c2ccccn2)C2CCCC2)cc1 ZINC000376162316 337028597 /nfs/dbraw/zinc/02/85/97/337028597.db2.gz LUFQZASAZKZPKK-UXHICEINSA-N 0 3 321.424 3.508 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN[C@H](c2ccccn2)C2CCCC2)cc1 ZINC000376162315 337028630 /nfs/dbraw/zinc/02/86/30/337028630.db2.gz LUFQZASAZKZPKK-PMACEKPBSA-N 0 3 321.424 3.508 20 30 DHEDHN CN(Cc1ccc(C#N)c(F)c1)C1CCN(c2ccccc2)CC1 ZINC000377506919 337053939 /nfs/dbraw/zinc/05/39/39/337053939.db2.gz WOQNBCKITSGAHC-UHFFFAOYSA-N 0 3 323.415 3.798 20 30 DHEDHN Cc1cccnc1OC1CCN(CCCC(C)(C)C#N)CC1 ZINC000377571791 337055364 /nfs/dbraw/zinc/05/53/64/337055364.db2.gz FCKMTUUJSBHGAF-UHFFFAOYSA-N 0 3 301.434 3.563 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC(c3ccncc3)CC2)cc1 ZINC000377708784 337059384 /nfs/dbraw/zinc/05/93/84/337059384.db2.gz XZQVYJHIQOAMRE-MRXNPFEDSA-N 0 3 321.424 3.752 20 30 DHEDHN CC(C)c1nccn1C[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC000377726304 337059711 /nfs/dbraw/zinc/05/97/11/337059711.db2.gz XDXFHTVLJAIKSA-SFHVURJKSA-N 0 3 308.429 3.543 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000172114384 337089793 /nfs/dbraw/zinc/08/97/93/337089793.db2.gz UDYVUHCXIUYGTK-HNNXBMFYSA-N 0 3 324.380 3.848 20 30 DHEDHN C=CC[C@@H](CC)NCc1cn2ccc(Br)cc2n1 ZINC000582634651 337116519 /nfs/dbraw/zinc/11/65/19/337116519.db2.gz DMXFGRHFGRUNOO-GFCCVEGCSA-N 0 3 308.223 3.541 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000582719047 337124714 /nfs/dbraw/zinc/12/47/14/337124714.db2.gz QURPCWTWHDJUEY-RKVPGOIHSA-N 0 3 317.864 3.759 20 30 DHEDHN CCCO[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177153259 337154161 /nfs/dbraw/zinc/15/41/61/337154161.db2.gz UYAYXQVCMVCAMC-SFHVURJKSA-N 0 3 305.849 3.973 20 30 DHEDHN C[C@@H](NCc1ccccc1-n1ccnc1)c1ccc(C#N)cc1 ZINC000181568881 337183002 /nfs/dbraw/zinc/18/30/02/337183002.db2.gz XLZCBYTYBRQHKP-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000216703953 337226650 /nfs/dbraw/zinc/22/66/50/337226650.db2.gz WVDWVKIEJQNRCQ-SFHVURJKSA-N 0 3 320.864 3.805 20 30 DHEDHN C[C@@H](NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(C#N)cc1 ZINC000192940485 337308638 /nfs/dbraw/zinc/30/86/38/337308638.db2.gz CAVPALYSRYVJNH-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN CN(CCOc1ccc(C(F)(F)F)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000583310375 337313464 /nfs/dbraw/zinc/31/34/64/337313464.db2.gz PJPPRWMEZDEUAO-OCCSQVGLSA-N 0 3 312.335 3.708 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(Cl)s1 ZINC000037865928 337368376 /nfs/dbraw/zinc/36/83/76/337368376.db2.gz JBVFVPXVWBINAQ-VIFPVBQESA-N 0 3 315.785 3.778 20 30 DHEDHN C=C(C)CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000103479338 337386636 /nfs/dbraw/zinc/38/66/36/337386636.db2.gz TYNUNSTYKHSQHT-AWEZNQCLSA-N 0 3 301.365 3.631 20 30 DHEDHN CCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)C ZINC000532927338 337393287 /nfs/dbraw/zinc/39/32/87/337393287.db2.gz ALWZIPYJCFZTHD-UHFFFAOYSA-N 0 3 307.825 3.518 20 30 DHEDHN C=C[C@H](CC(=O)NC[C@@H](N)c1ccccc1CC)c1ccccc1 ZINC000571804789 337577497 /nfs/dbraw/zinc/57/74/97/337577497.db2.gz ZOHSXDWBVVDXIH-YLJYHZDGSA-N 0 3 322.452 3.725 20 30 DHEDHN OCCC[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000271803868 337645535 /nfs/dbraw/zinc/64/55/35/337645535.db2.gz PUDDCZBJNVKWSM-LJQANCHMSA-N 0 3 313.828 3.795 20 30 DHEDHN C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273557701 337655552 /nfs/dbraw/zinc/65/55/52/337655552.db2.gz HFKCOVDYHPDMNI-INIZCTEOSA-N 0 3 302.462 3.700 20 30 DHEDHN C=CCSCCN[C@@H](C)c1cc(Br)ncc1F ZINC000273894655 337657490 /nfs/dbraw/zinc/65/74/90/337657490.db2.gz URKYBXZGNJJBMV-VIFPVBQESA-N 0 3 319.243 3.553 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(Nc2ccccn2)CC1 ZINC000527195508 337736708 /nfs/dbraw/zinc/73/67/08/337736708.db2.gz MEBRWLIPTSOCPD-HNNXBMFYSA-N 0 3 306.413 3.591 20 30 DHEDHN CC(C)(C)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CCCC#N ZINC000424115990 337741579 /nfs/dbraw/zinc/74/15/79/337741579.db2.gz BBYRYAPHEQLZOJ-HOTGVXAUSA-N 0 3 307.482 3.509 20 30 DHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000424323953 337821011 /nfs/dbraw/zinc/82/10/11/337821011.db2.gz JOEVQFAYAYXGPJ-IMSIIYSGSA-N 0 3 323.209 3.857 20 30 DHEDHN Cc1cc(CN)cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000424432559 337833068 /nfs/dbraw/zinc/83/30/68/337833068.db2.gz HSNZBVOQTNLPMI-SFHVURJKSA-N 0 3 322.412 3.620 20 30 DHEDHN COc1cccc(NC2CCN(CCC(C)(C)C#N)CC2)c1 ZINC000119970142 337868244 /nfs/dbraw/zinc/86/82/44/337868244.db2.gz VXCNTWCSNILHFI-UHFFFAOYSA-N 0 3 301.434 3.511 20 30 DHEDHN C[C@@H](NC[C@@H](C)N(C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537406174 337933516 /nfs/dbraw/zinc/93/35/16/337933516.db2.gz FBFRMOFSZRYMMQ-HUUCEWRRSA-N 0 3 311.404 3.873 20 30 DHEDHN CO[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000515256592 337983752 /nfs/dbraw/zinc/98/37/52/337983752.db2.gz HSMQRVUEASDPBO-CQSZACIVSA-N 0 3 314.351 3.728 20 30 DHEDHN COc1cccc2c1CCC[C@@H]2NCc1ccc(C#N)c(F)c1 ZINC000515777321 337997819 /nfs/dbraw/zinc/99/78/19/337997819.db2.gz RZKVECCUSJGLRC-SFHVURJKSA-N 0 3 310.372 3.873 20 30 DHEDHN CCC(O)(CC)C(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000515869530 338000516 /nfs/dbraw/zinc/00/05/16/338000516.db2.gz CJCCTCHORQMPLY-ZDUSSCGKSA-N 0 3 306.425 3.925 20 30 DHEDHN Cc1cc(C)c(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000428784517 338061043 /nfs/dbraw/zinc/06/10/43/338061043.db2.gz TUFJMPNYLMPZIW-GOSISDBHSA-N 0 3 321.424 3.532 20 30 DHEDHN CC1(C)Cc2c(cccc2Br)[C@H]1NCCCC#N ZINC000429363202 338078245 /nfs/dbraw/zinc/07/82/45/338078245.db2.gz PPTUPZOXFZOELY-CQSZACIVSA-N 0 3 307.235 3.966 20 30 DHEDHN CO[C@H]1CCCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000429520597 338082908 /nfs/dbraw/zinc/08/29/08/338082908.db2.gz DGCWKGKGRROKTK-HOTGVXAUSA-N 0 3 311.347 3.604 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2ccc(C(C)(F)F)cc2)nc(C)n1 ZINC000429681303 338087051 /nfs/dbraw/zinc/08/70/51/338087051.db2.gz VQCOBFNPMVFNCK-CQSZACIVSA-N 0 3 315.323 3.695 20 30 DHEDHN CC(C)(CO)[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000429708478 338088055 /nfs/dbraw/zinc/08/80/55/338088055.db2.gz KFYJPCNWLZNRFK-SFHVURJKSA-N 0 3 312.388 3.547 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)c2cccc(N(C)C)c2)n1 ZINC000430665811 338110768 /nfs/dbraw/zinc/11/07/68/338110768.db2.gz BTNLXHDNXIDEOJ-CQSZACIVSA-N 0 3 313.426 3.823 20 30 DHEDHN N#CCC1(CN[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000430740216 338112906 /nfs/dbraw/zinc/11/29/06/338112906.db2.gz FXKVSMBKZNOCKR-AWEZNQCLSA-N 0 3 305.219 3.720 20 30 DHEDHN CCN(CC)Cc1cccc(NC(=O)c2cscc2C#N)c1 ZINC000432489221 338157368 /nfs/dbraw/zinc/15/73/68/338157368.db2.gz OISGYHGAXUGQLJ-UHFFFAOYSA-N 0 3 313.426 3.714 20 30 DHEDHN C=C(C)CN(C)Cc1cc(CN(C)CC(=C)C)cc(OC)c1 ZINC000432853888 338170831 /nfs/dbraw/zinc/17/08/31/338170831.db2.gz LJNNHYPFVUHYOT-UHFFFAOYSA-N 0 3 302.462 3.711 20 30 DHEDHN CC(C)(C)CCNC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433027010 338177101 /nfs/dbraw/zinc/17/71/01/338177101.db2.gz JCVNJHDZCNEATJ-QGZVFWFLSA-N 0 3 315.461 3.564 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCCCc1ccccc1 ZINC000433114458 338182180 /nfs/dbraw/zinc/18/21/80/338182180.db2.gz NJMXBUJCYHCGAK-LJQANCHMSA-N 0 3 306.409 3.508 20 30 DHEDHN C[C@H](c1ccccc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433223054 338186451 /nfs/dbraw/zinc/18/64/51/338186451.db2.gz ZULZBIRRWWGANB-VQIMIIECSA-N 0 3 306.409 3.979 20 30 DHEDHN Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)ccc1F ZINC000433229356 338186840 /nfs/dbraw/zinc/18/68/40/338186840.db2.gz DDNWOFFSTBYCOT-KRWDZBQOSA-N 0 3 310.372 3.523 20 30 DHEDHN C=CCN(Cc1ccccc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433232390 338187002 /nfs/dbraw/zinc/18/70/02/338187002.db2.gz LQXHCFQMZOPSQK-HXUWFJFHSA-N 0 3 318.420 3.974 20 30 DHEDHN CCc1ccccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433479817 338195498 /nfs/dbraw/zinc/19/54/98/338195498.db2.gz YUALTLIOODXERW-SFHVURJKSA-N 0 3 306.409 3.638 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NC1(c2cccc(F)c2)CC1 ZINC000433477067 338195528 /nfs/dbraw/zinc/19/55/28/338195528.db2.gz GYRZGRRPEYSJKV-INIZCTEOSA-N 0 3 322.383 3.704 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(-c2ccccc2)s1 ZINC000435726529 338246415 /nfs/dbraw/zinc/24/64/15/338246415.db2.gz QJSZIGFPQNSQGF-QAPCUYQASA-N 0 3 314.454 3.881 20 30 DHEDHN CC(C#N)C(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@@H]1C ZINC000435976106 338254837 /nfs/dbraw/zinc/25/48/37/338254837.db2.gz KJWVAGJOKMSHGG-GUXCAODWSA-N 0 3 318.420 3.751 20 30 DHEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000439439689 338369530 /nfs/dbraw/zinc/36/95/30/338369530.db2.gz MUFOSCVAEFHPQL-DLBZAZTESA-N 0 3 306.837 3.895 20 30 DHEDHN COc1cc(CNC[C@H]2SCCc3ccccc32)ccc1C#N ZINC000440616077 338392525 /nfs/dbraw/zinc/39/25/25/338392525.db2.gz RNYRFGNZJSCTSS-LJQANCHMSA-N 0 3 324.449 3.687 20 30 DHEDHN COc1cc(CN[C@@H](CC(F)(F)F)C(C)C)ccc1C#N ZINC000440616099 338392584 /nfs/dbraw/zinc/39/25/84/338392584.db2.gz QUBKFEWQYQILSA-ZDUSSCGKSA-N 0 3 300.324 3.633 20 30 DHEDHN COc1cc(CNC[C@H]2CCC3(CCCCC3)O2)ccc1C#N ZINC000440634442 338393431 /nfs/dbraw/zinc/39/34/31/338393431.db2.gz GPWXQLLBVSWBBF-QGZVFWFLSA-N 0 3 314.429 3.538 20 30 DHEDHN COc1cc(CNC[C@H](C)Sc2ccccc2)ccc1C#N ZINC000440823563 338398245 /nfs/dbraw/zinc/39/82/45/338398245.db2.gz FDVWDOUELFXLSS-AWEZNQCLSA-N 0 3 312.438 3.837 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cc(C)c(Cl)c(C)c2)CC1 ZINC000442468090 338424494 /nfs/dbraw/zinc/42/44/94/338424494.db2.gz YKEVREXNVJYEQO-UHFFFAOYSA-N 0 3 321.852 3.729 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(N3CCCCCC3)c2)C1 ZINC000446762723 338535341 /nfs/dbraw/zinc/53/53/41/338535341.db2.gz VKZYZHCWDRSKRT-SJLPKXTDSA-N 0 3 312.461 3.634 20 30 DHEDHN CC1(C#N)CCC(NCc2nc3ccccc3n2C2CC2)CC1 ZINC000449244728 338606090 /nfs/dbraw/zinc/60/60/90/338606090.db2.gz VIDWKRYQJYRJOB-UHFFFAOYSA-N 0 3 308.429 3.933 20 30 DHEDHN C=CCC1(C(=O)NCc2cccc(CN(C)C)c2)CCCC1 ZINC000449258448 338607436 /nfs/dbraw/zinc/60/74/36/338607436.db2.gz MYYDGJOICNZGSA-UHFFFAOYSA-N 0 3 300.446 3.501 20 30 DHEDHN C=CC[C@@H](C)[C@@H](C)NCc1nc(C)c(Br)s1 ZINC000449402778 338621195 /nfs/dbraw/zinc/62/11/95/338621195.db2.gz SKOXXZGVBUBXKD-RKDXNWHRSA-N 0 3 303.269 3.904 20 30 DHEDHN C=C(C)COc1cc(CNC[C@](C)(CC)OC)ccc1OC ZINC000449476736 338628609 /nfs/dbraw/zinc/62/86/09/338628609.db2.gz NMOSEEFJSRGQNF-SFHVURJKSA-N 0 3 307.434 3.555 20 30 DHEDHN C=C(C)CCNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000449478890 338629051 /nfs/dbraw/zinc/62/90/51/338629051.db2.gz SRWGKMVPOPKLIH-UHFFFAOYSA-N 0 3 302.399 3.595 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(-c2ccncc2)ccc1OC ZINC000449545979 338636326 /nfs/dbraw/zinc/63/63/26/338636326.db2.gz ASSHIKUYLMVFEK-MOPGFXCFSA-N 0 3 324.424 3.580 20 30 DHEDHN CCO[C@@H]1CCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000452022174 338751266 /nfs/dbraw/zinc/75/12/66/338751266.db2.gz WDMQVYHZJUALQJ-HZPDHXFCSA-N 0 3 311.347 3.604 20 30 DHEDHN Cc1cccc([C@@H](C)NCCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000452086656 338753272 /nfs/dbraw/zinc/75/32/72/338753272.db2.gz NCYRWFBYPMAUOO-OAHLLOKOSA-N 0 3 307.397 3.546 20 30 DHEDHN CC[C@@H](NCCSCc1ccccc1C#N)c1ccncc1 ZINC000453066205 338789685 /nfs/dbraw/zinc/78/96/85/338789685.db2.gz APSUNOWDIGFTDJ-GOSISDBHSA-N 0 3 311.454 3.927 20 30 DHEDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC1(c2cccc(C#N)c2)CC1 ZINC000453176217 338802956 /nfs/dbraw/zinc/80/29/56/338802956.db2.gz PZBZKNYYCDAWIO-CQSZACIVSA-N 0 3 321.380 3.676 20 30 DHEDHN C=CCC1(CNC(=O)c2ccccc2CN(C)C)CCCC1 ZINC000456502007 338932292 /nfs/dbraw/zinc/93/22/92/338932292.db2.gz FZMJOGMSWYLLJM-UHFFFAOYSA-N 0 3 300.446 3.615 20 30 DHEDHN N#C[C@@H]1CCC[C@@H]1NCCCOc1cccc(C(F)(F)F)c1 ZINC000459467198 339030859 /nfs/dbraw/zinc/03/08/59/339030859.db2.gz PITWZFGVTSCQKL-WFASDCNBSA-N 0 3 312.335 3.756 20 30 DHEDHN CC(C)(C#N)CCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459667855 339041820 /nfs/dbraw/zinc/04/18/20/339041820.db2.gz SLRXCUCJXFVEOJ-ZDUSSCGKSA-N 0 3 318.383 3.607 20 30 DHEDHN CC(C)(CC#N)CNCc1ccccc1OCC(F)(F)F ZINC000459728793 339044687 /nfs/dbraw/zinc/04/46/87/339044687.db2.gz IUFSMZZDOYQQLC-UHFFFAOYSA-N 0 3 300.324 3.657 20 30 DHEDHN C=CCOc1cccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459744318 339045697 /nfs/dbraw/zinc/04/56/97/339045697.db2.gz DSPWKZOCOYFRPD-VQTJNVASSA-N 0 3 315.457 3.624 20 30 DHEDHN CCC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CCC1 ZINC000459790242 339048839 /nfs/dbraw/zinc/04/88/39/339048839.db2.gz GMPLQHOYWBUIPW-MRXNPFEDSA-N 0 3 310.401 3.667 20 30 DHEDHN C=CCOc1ccccc1CNC[C@H](C)Oc1cccc(F)c1 ZINC000462733939 339085520 /nfs/dbraw/zinc/08/55/20/339085520.db2.gz HTIFGKCHJYQZSB-HNNXBMFYSA-N 0 3 315.388 3.948 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000464527757 339144277 /nfs/dbraw/zinc/14/42/77/339144277.db2.gz RQDXEPFWEHTHDD-QFBILLFUSA-N 0 3 314.473 3.542 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000464647875 339147713 /nfs/dbraw/zinc/14/77/13/339147713.db2.gz CCYJGHQTEKUVNX-HNNXBMFYSA-N 0 3 322.880 3.833 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N(CCCc1ccccc1)CCN(C)C ZINC000464652489 339147810 /nfs/dbraw/zinc/14/78/10/339147810.db2.gz WVZACDGUVFDWMC-GOSISDBHSA-N 0 3 316.489 3.612 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000466379519 339201627 /nfs/dbraw/zinc/20/16/27/339201627.db2.gz YSWNLKCJEADJNL-QGZVFWFLSA-N 0 3 317.477 3.551 20 30 DHEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000467294542 339230102 /nfs/dbraw/zinc/23/01/02/339230102.db2.gz ADYUEPNJOBOLDG-JKSUJKDBSA-N 0 3 310.441 3.913 20 30 DHEDHN Cc1ccc(CN(CCc2ccccc2)C(=O)C(C)C#N)s1 ZINC000468188572 339256215 /nfs/dbraw/zinc/25/62/15/339256215.db2.gz XEXMMDAALKBWAM-CQSZACIVSA-N 0 3 312.438 3.788 20 30 DHEDHN CC(C#N)C(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000468713985 339269261 /nfs/dbraw/zinc/26/92/61/339269261.db2.gz KQSSUXQVYJSEJT-KGLIPLIRSA-N 0 3 312.438 3.842 20 30 DHEDHN C=CCOCCCN1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000470761126 339327014 /nfs/dbraw/zinc/32/70/14/339327014.db2.gz VFBINWFJTDVKPY-ULQDDVLXSA-N 0 3 323.477 3.554 20 30 DHEDHN C[C@@H](CC1CCCCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471164074 339339241 /nfs/dbraw/zinc/33/92/41/339339241.db2.gz DLEZDBZEKQVDPN-HNAYVOBHSA-N 0 3 323.440 3.716 20 30 DHEDHN C=CCCCCNCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000472064080 339361898 /nfs/dbraw/zinc/36/18/98/339361898.db2.gz QWTNTAMUILKGMP-UHFFFAOYSA-N 0 3 308.788 3.506 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000472152768 339364559 /nfs/dbraw/zinc/36/45/59/339364559.db2.gz HYWNAIPOTXRRQY-BXKDBHETSA-N 0 3 300.736 3.723 20 30 DHEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472241092 339367202 /nfs/dbraw/zinc/36/72/02/339367202.db2.gz PJZMUJGCTDPFFM-HZPDHXFCSA-N 0 3 323.440 3.858 20 30 DHEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472241095 339367240 /nfs/dbraw/zinc/36/72/40/339367240.db2.gz PJZMUJGCTDPFFM-JKSUJKDBSA-N 0 3 323.440 3.858 20 30 DHEDHN CC[C@H]1C[C@H](C)CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472241091 339367261 /nfs/dbraw/zinc/36/72/61/339367261.db2.gz PJZMUJGCTDPFFM-HOTGVXAUSA-N 0 3 323.440 3.858 20 30 DHEDHN C=CCC[C@H](O)CN(Cc1cccc(Br)c1)C1CC1 ZINC000472743332 339376661 /nfs/dbraw/zinc/37/66/61/339376661.db2.gz BAJOVKQTEAVRCQ-INIZCTEOSA-N 0 3 324.262 3.741 20 30 DHEDHN C=CCC[C@H](O)CN1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000472773930 339377378 /nfs/dbraw/zinc/37/73/78/339377378.db2.gz RHUPIHPNLJQMOK-KRWDZBQOSA-N 0 3 310.441 3.893 20 30 DHEDHN C=CCC[C@H](O)CN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000472956101 339379484 /nfs/dbraw/zinc/37/94/84/339379484.db2.gz UHIAWWNFBUVYSM-SFHVURJKSA-N 0 3 301.430 3.502 20 30 DHEDHN C=CCCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000477996719 339506937 /nfs/dbraw/zinc/50/69/37/339506937.db2.gz XHRXKRVBRJIWBV-UHFFFAOYSA-N 0 3 320.864 3.731 20 30 DHEDHN COC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCC(C)CC1 ZINC000479495190 339538014 /nfs/dbraw/zinc/53/80/14/339538014.db2.gz FSDDNOSTMOTYLZ-TXKKKEFDSA-N 0 3 304.409 3.943 20 30 DHEDHN Cn1cc(CNCCCOc2ccc3ccccc3c2)cc1C#N ZINC000480359078 339570543 /nfs/dbraw/zinc/57/05/43/339570543.db2.gz SADKQJORDMMDRP-UHFFFAOYSA-N 0 3 319.408 3.609 20 30 DHEDHN Cc1ccccc1[C@@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC000483260946 339658301 /nfs/dbraw/zinc/65/83/01/339658301.db2.gz QSKKXCZQOJNVAQ-QGZVFWFLSA-N 0 3 305.425 3.750 20 30 DHEDHN Cc1cc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)ccc1C#N ZINC000488139269 339771609 /nfs/dbraw/zinc/77/16/09/339771609.db2.gz NRJFFHALRCLOCQ-PMACEKPBSA-N 0 3 306.409 3.734 20 30 DHEDHN C#C[C@H](CC)NCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000491296514 339856843 /nfs/dbraw/zinc/85/68/43/339856843.db2.gz MIZCSKJQIKAALZ-MRXNPFEDSA-N 0 3 308.429 3.562 20 30 DHEDHN CC(C)(C)OC(=O)NCCCN[C@H](CCC#N)c1ccccc1 ZINC000496937658 340016559 /nfs/dbraw/zinc/01/65/59/340016559.db2.gz JZQNUOFUJLVEAX-MRXNPFEDSA-N 0 3 317.433 3.536 20 30 DHEDHN C=CCN1CC[C@H](N[C@H](c2ccccc2)C(CC)CC)C1=O ZINC000499598638 340040275 /nfs/dbraw/zinc/04/02/75/340040275.db2.gz ACCOHIPMCPKOHA-ROUUACIJSA-N 0 3 300.446 3.540 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@H](CCC)CC2CCCC2)CC1 ZINC000499833121 340045520 /nfs/dbraw/zinc/04/55/20/340045520.db2.gz LHQZFWOAPDPLSG-QGZVFWFLSA-N 0 3 306.494 3.750 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500158395 340051600 /nfs/dbraw/zinc/05/16/00/340051600.db2.gz IQJKXVGAQHKHCI-MRXNPFEDSA-N 0 3 311.828 3.928 20 30 DHEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1CCc2ccccc2C1 ZINC000501207938 340076239 /nfs/dbraw/zinc/07/62/39/340076239.db2.gz VXTDPMJFXVNPDZ-LJQANCHMSA-N 0 3 306.409 3.556 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2ccccc2)[C@H]1C ZINC000501218741 340076382 /nfs/dbraw/zinc/07/63/82/340076382.db2.gz RLUJEIKMAROINZ-BEFAXECRSA-N 0 3 306.409 3.945 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](CC)C1)C(C)C ZINC000503414632 340127730 /nfs/dbraw/zinc/12/77/30/340127730.db2.gz YHHNZXPFAPMHGG-MSOLQXFVSA-N 0 3 321.509 3.517 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N(CCN(C)C)CC(C)C ZINC000505005973 340158510 /nfs/dbraw/zinc/15/85/10/340158510.db2.gz PCXDAOPSKRDYEL-UHFFFAOYSA-N 0 3 317.477 3.857 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000507007299 340205379 /nfs/dbraw/zinc/20/53/79/340205379.db2.gz JYDLHLLKZCMBCM-GOSISDBHSA-N 0 3 318.436 3.703 20 30 DHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@H](CC)C1 ZINC000507779027 340230940 /nfs/dbraw/zinc/23/09/40/340230940.db2.gz TYQSNCBSQXMOHI-SJLPKXTDSA-N 0 3 318.417 3.788 20 30 DHEDHN C=CCCCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508891601 340255330 /nfs/dbraw/zinc/25/53/30/340255330.db2.gz HNBSCCLPIQTCJU-WMZOPIPTSA-N 0 3 317.477 3.594 20 30 DHEDHN CC(C#N)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000510389307 340297603 /nfs/dbraw/zinc/29/76/03/340297603.db2.gz PBKHZKHYJCAUJV-QMTHXVAHSA-N 0 3 304.802 3.767 20 30 DHEDHN C=CC[C@@H](C)N[C@H](C)c1ccccc1I ZINC000309013058 340298059 /nfs/dbraw/zinc/29/80/59/340298059.db2.gz SOHSKRLAMQTCOO-GHMZBOCLSA-N 0 3 315.198 3.906 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510547462 340302469 /nfs/dbraw/zinc/30/24/69/340302469.db2.gz KKLMMLGMOZPCHV-LPHOPBHVSA-N 0 3 314.473 3.871 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510555935 340302589 /nfs/dbraw/zinc/30/25/89/340302589.db2.gz WOMCWJQUMRJKSZ-KVSKMBFKSA-N 0 3 302.462 3.705 20 30 DHEDHN C=C(C)CN(CCCCC(F)(F)F)Cc1ccc(CO)o1 ZINC000512147246 340349798 /nfs/dbraw/zinc/34/97/98/340349798.db2.gz KANJPTHZQVYAGQ-UHFFFAOYSA-N 0 3 305.340 3.883 20 30 DHEDHN C[C@H](NCCc1ccc2c(c1)CCO2)c1ccc(C#N)cc1F ZINC000512634830 340370248 /nfs/dbraw/zinc/37/02/48/340370248.db2.gz FCKLPVXOMZKZGZ-ZDUSSCGKSA-N 0 3 310.372 3.526 20 30 DHEDHN C[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccc(C#N)cc1F ZINC000512642481 340370564 /nfs/dbraw/zinc/37/05/64/340370564.db2.gz QCCXWFKBDYPCRA-WQFMGJDKSA-N 0 3 302.393 3.552 20 30 DHEDHN COc1ccccc1C[C@@H]1CCCN1Cc1ccccc1C#N ZINC000512705793 340373768 /nfs/dbraw/zinc/37/37/68/340373768.db2.gz PZVPRAJLZRIMEP-IBGZPJMESA-N 0 3 306.409 3.774 20 30 DHEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCc1cccc(C#N)c1 ZINC000513077954 340392385 /nfs/dbraw/zinc/39/23/85/340392385.db2.gz WFFZLISEYKYQHM-NJDAHSKKSA-N 0 3 320.436 3.999 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000185041245 340497546 /nfs/dbraw/zinc/49/75/46/340497546.db2.gz CAPCYOLLVOIPGV-WMZOPIPTSA-N 0 3 300.446 3.542 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000185035666 340497573 /nfs/dbraw/zinc/49/75/73/340497573.db2.gz PYGDIWHFFCURJC-FUHWJXTLSA-N 0 3 300.446 3.542 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2OCC(F)(F)F)C1 ZINC000185792798 340505348 /nfs/dbraw/zinc/50/53/48/340505348.db2.gz FLKDWQNIAUTOCW-JSGCOSHPSA-N 0 3 312.335 3.800 20 30 DHEDHN CCS[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1OC ZINC000190048848 340542278 /nfs/dbraw/zinc/54/22/78/340542278.db2.gz ALKAKOMHQWIUNC-DOTOQJQBSA-N 0 3 304.459 3.721 20 30 DHEDHN Cn1cc(CN2CCC(c3ccc(Cl)cc3)CC2)cc1C#N ZINC000191509120 340554933 /nfs/dbraw/zinc/55/49/33/340554933.db2.gz RHCXYNJQBUFFDV-UHFFFAOYSA-N 0 3 313.832 3.930 20 30 DHEDHN C[C@@H](NCCc1ccc(F)c(F)c1)c1ccc(C#N)cc1F ZINC000530328946 340787808 /nfs/dbraw/zinc/78/78/08/340787808.db2.gz RZMCMWLPGNPRRM-LLVKDONJSA-N 0 3 304.315 3.869 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000538208432 340813318 /nfs/dbraw/zinc/81/33/18/340813318.db2.gz SHCBHTUTVLFXDM-DLBZAZTESA-N 0 3 302.462 3.767 20 30 DHEDHN C=CCC[C@H](NCC(=O)NCc1ccccc1C)c1ccccc1 ZINC000538257630 340815238 /nfs/dbraw/zinc/81/52/38/340815238.db2.gz GOBDEIALKNRDIM-FQEVSTJZSA-N 0 3 322.452 3.908 20 30 DHEDHN C[C@H](NCCN1c2ccccc2C[C@H]1C)c1ccc(C#N)cc1 ZINC000540597419 340937659 /nfs/dbraw/zinc/93/76/59/340937659.db2.gz PNCVTWXNSFUTDH-CVEARBPZSA-N 0 3 305.425 3.660 20 30 DHEDHN C=CCNC(=O)CN[C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000540781845 340945747 /nfs/dbraw/zinc/94/57/47/340945747.db2.gz LQKMRLWFZBBIIR-GFCCVEGCSA-N 0 3 318.417 3.507 20 30 DHEDHN CN(CCN(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 ZINC000543249286 341038241 /nfs/dbraw/zinc/03/82/41/341038241.db2.gz HAWNMKCFTOVGFR-UHFFFAOYSA-N 0 3 305.425 3.659 20 30 DHEDHN C=CCC[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000544605526 341088372 /nfs/dbraw/zinc/08/83/72/341088372.db2.gz ANTNPLSBENWMQT-JCGIZDLHSA-N 0 3 322.880 3.656 20 30 DHEDHN C=C(C)CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000072977706 341111771 /nfs/dbraw/zinc/11/17/71/341111771.db2.gz ZOHMJTPFVRIKNP-UHFFFAOYSA-N 0 3 310.800 3.706 20 30 DHEDHN CCC[C@@H]1CN(CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000131927881 341113653 /nfs/dbraw/zinc/11/36/53/341113653.db2.gz MBIDOYQLPUUEPO-QGZVFWFLSA-N 0 3 318.509 3.652 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NC2CCC(C(C)C)CC2)CC1 ZINC000132529095 341126449 /nfs/dbraw/zinc/12/64/49/341126449.db2.gz DMRHFFSMIHBGJV-UHFFFAOYSA-N 0 3 321.509 3.541 20 30 DHEDHN Cc1cccc(C)c1[C@H](C)N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000545519875 341128438 /nfs/dbraw/zinc/12/84/38/341128438.db2.gz ZUVLGTVFRVZOMO-HOTGVXAUSA-N 0 3 321.424 3.853 20 30 DHEDHN COCCN(Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000546030738 341151981 /nfs/dbraw/zinc/15/19/81/341151981.db2.gz MVARXXSLPQIZGM-UHFFFAOYSA-N 0 3 306.409 3.836 20 30 DHEDHN C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(C#N)cc1 ZINC000075755734 341181999 /nfs/dbraw/zinc/18/19/99/341181999.db2.gz YCXQQYFSTUZGSJ-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000546935182 341187573 /nfs/dbraw/zinc/18/75/73/341187573.db2.gz DTDZUCUYWFGLHC-DLBZAZTESA-N 0 3 302.462 3.767 20 30 DHEDHN C=C(C)CN(CC)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000079251147 341255827 /nfs/dbraw/zinc/25/58/27/341255827.db2.gz COJDYABDPUUKCS-MRXNPFEDSA-N 0 3 323.506 3.739 20 30 DHEDHN N#CC1(c2ccccn2)CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000548791564 341275747 /nfs/dbraw/zinc/27/57/47/341275747.db2.gz WWLIBMMZPIYSKF-UHFFFAOYSA-N 0 3 316.408 3.620 20 30 DHEDHN CCC[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000549929485 341307047 /nfs/dbraw/zinc/30/70/47/341307047.db2.gz COICWOYMCSAAHM-VAMGGRTRSA-N 0 3 311.473 3.665 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550010375 341308670 /nfs/dbraw/zinc/30/86/70/341308670.db2.gz RUBWBVJHQLDDCE-SFHVURJKSA-N 0 3 312.800 3.865 20 30 DHEDHN C=CCC(C)(C)CNCc1cn2ccc(Br)cc2n1 ZINC000550226775 341312954 /nfs/dbraw/zinc/31/29/54/341312954.db2.gz GJXMQCXMQHJIEV-UHFFFAOYSA-N 0 3 322.250 3.789 20 30 DHEDHN CCC[C@]1(NCc2ccc(C#N)cc2C(F)(F)F)CCOC1 ZINC000564377257 341334711 /nfs/dbraw/zinc/33/47/11/341334711.db2.gz GAOPEIGDYDOWOB-HNNXBMFYSA-N 0 3 312.335 3.626 20 30 DHEDHN N#Cc1cccc(C2(NCc3cc4ccc(F)cc4[nH]3)CC2)c1 ZINC000551580753 341346305 /nfs/dbraw/zinc/34/63/05/341346305.db2.gz XLVYSJKOLFFBOE-UHFFFAOYSA-N 0 3 305.356 3.958 20 30 DHEDHN CC(C)[C@H]1N(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1(C)C ZINC000552072105 341367584 /nfs/dbraw/zinc/36/75/84/341367584.db2.gz VOYUKTKSPMHDBW-LJQANCHMSA-N 0 3 322.456 3.825 20 30 DHEDHN COc1ccc(CN2CCC[C@H](c3ccccc3)C2)cc1C#N ZINC000552274201 341382944 /nfs/dbraw/zinc/38/29/44/341382944.db2.gz GAYOHMYDLYLLQN-SFHVURJKSA-N 0 3 306.409 3.946 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 ZINC000248703037 341384775 /nfs/dbraw/zinc/38/47/75/341384775.db2.gz ALIURZOVKADWSF-ZFVVBOAOSA-N 0 3 304.821 3.842 20 30 DHEDHN CC(C)OC(=O)C[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249088377 341393507 /nfs/dbraw/zinc/39/35/07/341393507.db2.gz CKUWPKVLFSVQKV-WBVHZDCISA-N 0 3 314.429 3.673 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000552445190 341394211 /nfs/dbraw/zinc/39/42/11/341394211.db2.gz FFFFTOOXNXFASJ-GOSISDBHSA-N 0 3 320.864 3.827 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)[C@@H]1CCOC1)CC2 ZINC000564759552 341508684 /nfs/dbraw/zinc/50/86/84/341508684.db2.gz BFNJGSVZIBODLS-NRSPTQNISA-N 0 3 318.420 3.913 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000565442086 341527587 /nfs/dbraw/zinc/52/75/87/341527587.db2.gz ASANCBJDJWLGTM-PBHICJAKSA-N 0 3 320.502 3.730 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(CC#N)cc2)c1 ZINC000343688165 341851589 /nfs/dbraw/zinc/85/15/89/341851589.db2.gz KWXSSXHMTSWRNU-AWEZNQCLSA-N 0 3 307.397 3.562 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000192599138 341877006 /nfs/dbraw/zinc/87/70/06/341877006.db2.gz AEZCIIOZZLTUPE-QAPCUYQASA-N 0 3 300.446 3.540 20 30 DHEDHN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(C)cc1 ZINC000192674613 341880446 /nfs/dbraw/zinc/88/04/46/341880446.db2.gz LDJSZWPOWNQGFR-QAPCUYQASA-N 0 3 321.424 3.935 20 30 DHEDHN C[C@@H](CNCc1ccc(C#N)s1)Oc1cccc(Cl)c1 ZINC000176978014 341909055 /nfs/dbraw/zinc/90/90/55/341909055.db2.gz SQSMYLGVHVDSKW-NSHDSACASA-N 0 3 306.818 3.830 20 30 DHEDHN COc1cc(C)c([C@@H](C)NCc2cc(C#N)cs2)cc1OC ZINC000177685269 341923816 /nfs/dbraw/zinc/92/38/16/341923816.db2.gz WUSPQLNVHMZHGD-GFCCVEGCSA-N 0 3 316.426 3.796 20 30 DHEDHN CC(C)(C)OC(=O)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000236807553 518859307 /nfs/dbraw/zinc/85/93/07/518859307.db2.gz JFJUBYSOLOPZHI-UHFFFAOYSA-N 0 3 322.408 3.803 20 30 DHEDHN CC(C)Oc1ccc([C@H](O)CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181763122 519781939 /nfs/dbraw/zinc/78/19/39/519781939.db2.gz QHCXHSVDNVQDAC-FOIQADDNSA-N 0 3 324.424 3.730 20 30 DHEDHN CCN(CC)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000181542002 520907845 /nfs/dbraw/zinc/90/78/45/520907845.db2.gz GESMBFCNXSURSI-HNNXBMFYSA-N 0 3 308.429 3.650 20 30 DHEDHN COc1cc(C#N)ccc1OCCN(C)[C@H](C)c1cccs1 ZINC000265872027 522042302 /nfs/dbraw/zinc/04/23/02/522042302.db2.gz VWVIVVCUENNEPU-CYBMUJFWSA-N 0 3 316.426 3.700 20 30 DHEDHN COCCCCN[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364965020 523176718 /nfs/dbraw/zinc/17/67/18/523176718.db2.gz SBRUOOLTRTVEJX-ZDUSSCGKSA-N 0 3 315.442 3.759 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N(C)C[C@@H]1OCCc2ccccc21 ZINC000265231599 526042426 /nfs/dbraw/zinc/04/24/26/526042426.db2.gz QSXRCVMMHATBPV-QRWLVFNGSA-N 0 3 306.409 3.865 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338326880 526074018 /nfs/dbraw/zinc/07/40/18/526074018.db2.gz BPUHNLYUUPKZDR-DYESRHJHSA-N 0 3 320.436 3.645 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000182124428 526626115 /nfs/dbraw/zinc/62/61/15/526626115.db2.gz WPUVFOPXJCNYLU-ZWKOTPCHSA-N 0 3 312.800 3.831 20 30 DHEDHN Cc1ccccc1[C@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000180152599 1013054621 /nfs/dbraw/zinc/05/46/21/1013054621.db2.gz SJKJVYJCOYTYCB-LJQANCHMSA-N 0 3 316.408 3.852 20 30 DHEDHN C=C(CC)CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001167130898 1013259209 /nfs/dbraw/zinc/25/92/09/1013259209.db2.gz JJPLBQKEPDSLBE-HUUCEWRRSA-N 0 3 300.229 3.850 20 30 DHEDHN C=CCN1CCC(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000519274738 1013299234 /nfs/dbraw/zinc/29/92/34/1013299234.db2.gz NKHHPKJDGNQCOY-HOTGVXAUSA-N 0 3 306.494 3.606 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@H](CCC)C2CCCCC2)CC1 ZINC000519302905 1013301656 /nfs/dbraw/zinc/30/16/56/1013301656.db2.gz WQIHKJAXKIYBDH-GOSISDBHSA-N 0 3 321.509 3.685 20 30 DHEDHN C=C[C@@H](C)NCc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000153702628 1013313457 /nfs/dbraw/zinc/31/34/57/1013313457.db2.gz SGFLHPARMNTIRD-CQSZACIVSA-N 0 3 310.397 3.612 20 30 DHEDHN C=CCN(CCc1ccccc1)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001167273445 1013489072 /nfs/dbraw/zinc/48/90/72/1013489072.db2.gz GWCKXYCVDVEESC-MRXNPFEDSA-N 0 3 318.461 3.630 20 30 DHEDHN C#C[C@H](N[C@@H](C)[C@@H]1CCCOC1)c1ccc(Br)cc1 ZINC000894870055 1013570399 /nfs/dbraw/zinc/57/03/99/1013570399.db2.gz HSMZBMBMILZPRJ-BJJXKVORSA-N 0 3 322.246 3.528 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(CCC)[C@H]1CCc2ccccc21 ZINC000520172222 1013667239 /nfs/dbraw/zinc/66/72/39/1013667239.db2.gz YHJYBSQAKSSECU-IBGZPJMESA-N 0 3 314.473 3.811 20 30 DHEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000520174782 1013669596 /nfs/dbraw/zinc/66/95/96/1013669596.db2.gz ZVPMCQCBJJEDHN-HKUYNNGSSA-N 0 3 315.461 3.514 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(-n2cccn2)cc1 ZINC000176979582 1013694087 /nfs/dbraw/zinc/69/40/87/1013694087.db2.gz IRBCXPZBKHYRAI-CYBMUJFWSA-N 0 3 308.410 3.656 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1C[C@]1(C)Br ZINC000895018930 1013777975 /nfs/dbraw/zinc/77/79/75/1013777975.db2.gz VJZIAAKYJZTPSZ-DFBGVHRSSA-N 0 3 307.235 3.725 20 30 DHEDHN CCCN1CCC[C@@H]1C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000328865454 1013802051 /nfs/dbraw/zinc/80/20/51/1013802051.db2.gz BSSNESSTTNTTLL-MLGOLLRUSA-N 0 3 315.417 3.723 20 30 DHEDHN Cc1cc(Nc2cccc3c2OCC[C@H]3N(C)C)ccc1C#N ZINC001210807463 1014059147 /nfs/dbraw/zinc/05/91/47/1014059147.db2.gz BNVCDILBUDUMDN-GOSISDBHSA-N 0 3 307.397 3.996 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(F)c(C#N)c1 ZINC000119057894 1014106890 /nfs/dbraw/zinc/10/68/90/1014106890.db2.gz GAXHAMBYCPVUQY-UHFFFAOYSA-N 0 3 307.372 3.980 20 30 DHEDHN C=C(CN1CCCCC1)c1nc(-c2cccc(F)c2C)no1 ZINC001211434672 1014386613 /nfs/dbraw/zinc/38/66/13/1014386613.db2.gz AJTMKPFLLSBGGS-UHFFFAOYSA-N 0 3 301.365 3.683 20 30 DHEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000177855423 1014436096 /nfs/dbraw/zinc/43/60/96/1014436096.db2.gz FTHLEWAZLDLCOY-GFCCVEGCSA-N 0 3 307.825 3.518 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](N)CC1CCCCC1 ZINC000521227008 1014665425 /nfs/dbraw/zinc/66/54/25/1014665425.db2.gz UQKYPOXZCWRTHI-INIZCTEOSA-N 0 3 306.475 3.560 20 30 DHEDHN Cc1ccc(C[C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccccn2)cc1 ZINC000442763674 1014725887 /nfs/dbraw/zinc/72/58/87/1014725887.db2.gz BHSMLJDPZRFDMY-GGPKGHCWSA-N 0 3 305.425 3.956 20 30 DHEDHN CCc1nn(-c2ccccc2)c(CC)c1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442864422 1014751308 /nfs/dbraw/zinc/75/13/08/1014751308.db2.gz ZJCQQWXNBGAIFS-CVEARBPZSA-N 0 3 322.456 3.779 20 30 DHEDHN Cc1c(CN2CCSCC2)cccc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000442851835 1014756580 /nfs/dbraw/zinc/75/65/80/1014756580.db2.gz GWTJPKKCARSPOY-NVXWUHKLSA-N 0 3 315.486 3.648 20 30 DHEDHN CC[C@@H]1CCCCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167457757 1014767375 /nfs/dbraw/zinc/76/73/75/1014767375.db2.gz JZDVGQSXULPJJT-OAHLLOKOSA-N 0 3 319.836 3.805 20 30 DHEDHN N#CC(C(=O)c1coc2ccccc12)c1nc2ccccc2[nH]1 ZINC000113650890 1014879713 /nfs/dbraw/zinc/87/97/13/1014879713.db2.gz XXDIQTZHZAQHFH-GFCCVEGCSA-N 0 3 301.305 3.799 20 30 DHEDHN C#CCC1(N[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CCC1 ZINC000933301028 1014973583 /nfs/dbraw/zinc/97/35/83/1014973583.db2.gz IQWMSUGSQMDGJV-CQSZACIVSA-N 0 3 318.848 3.819 20 30 DHEDHN C#CC1(O)CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000895377977 1015111160 /nfs/dbraw/zinc/11/11/60/1015111160.db2.gz AZOHJWQHHYFZLT-UHFFFAOYSA-N 0 3 315.800 3.560 20 30 DHEDHN CCOc1ccc(O)c(/C=N\C[C@@H](c2ccccc2)N(C)C)c1 ZINC000255357672 1015188593 /nfs/dbraw/zinc/18/85/93/1015188593.db2.gz CATAHIUYIYPXRI-YNGKYYQNSA-N 0 3 312.413 3.513 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC000895563048 1015203364 /nfs/dbraw/zinc/20/33/64/1015203364.db2.gz SAIVWKFEEIUXDJ-CQSZACIVSA-N 0 3 312.438 3.664 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000361835346 1032118880 /nfs/dbraw/zinc/11/88/80/1032118880.db2.gz WDKGYSHMWGNXTC-CJNGLKHVSA-N 0 3 306.425 3.583 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(Cc1ccccc1)CC(C)C ZINC000519904870 1015579582 /nfs/dbraw/zinc/57/95/82/1015579582.db2.gz HWDGSFZWLNMFBX-UHFFFAOYSA-N 0 3 302.462 3.569 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341758689 1015724061 /nfs/dbraw/zinc/72/40/61/1015724061.db2.gz BBNMVZVUQGVRFY-GOSISDBHSA-N 0 3 322.408 3.743 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000280908258 1015807775 /nfs/dbraw/zinc/80/77/75/1015807775.db2.gz CHBMIJXONSLFMR-SZVBFZGTSA-N 0 3 312.457 3.732 20 30 DHEDHN CC(C)N(C)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000277017998 1015856231 /nfs/dbraw/zinc/85/62/31/1015856231.db2.gz JBWUDNJYWUABBP-OAHLLOKOSA-N 0 3 308.429 3.649 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@]2(C)CC(C)C)CC1 ZINC000458315416 1015975749 /nfs/dbraw/zinc/97/57/49/1015975749.db2.gz GHILEPAYDJNIDL-IBGZPJMESA-N 0 3 321.509 3.637 20 30 DHEDHN CCCN(Cc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000071810615 1016143587 /nfs/dbraw/zinc/14/35/87/1016143587.db2.gz HQGFJUJROSUFDI-SFHVURJKSA-N 0 3 322.408 3.610 20 30 DHEDHN CC1(C)[C@H](NCc2ccc(Cl)cc2C#N)[C@@H]2CCCO[C@H]21 ZINC000451481800 1016506906 /nfs/dbraw/zinc/50/69/06/1016506906.db2.gz UTEFTZYUEXEAGJ-ARFHVFGLSA-N 0 3 304.821 3.505 20 30 DHEDHN Cc1c([C@@H](C)NCCCC#N)cnn1-c1cccc(Cl)c1 ZINC000346821865 1016567382 /nfs/dbraw/zinc/56/73/82/1016567382.db2.gz GSSNTZUOUSEEII-GFCCVEGCSA-N 0 3 302.809 3.789 20 30 DHEDHN Cc1ccc(NC(=O)[C@@H](NCCCCC#N)c2ccccc2)cc1 ZINC000171715265 1016591816 /nfs/dbraw/zinc/59/18/16/1016591816.db2.gz QHFRSWWBZRYRLO-IBGZPJMESA-N 0 3 321.424 3.958 20 30 DHEDHN CCN(CC(=O)Nc1ccccc1SCC#N)C1CCCC1 ZINC000072578066 1016614995 /nfs/dbraw/zinc/61/49/95/1016614995.db2.gz CSQIHZMABHELDP-UHFFFAOYSA-N 0 3 317.458 3.505 20 30 DHEDHN N#Cc1ccc(OC2CCN(CCc3ccccc3F)CC2)cc1 ZINC000346878936 1016620902 /nfs/dbraw/zinc/62/09/02/1016620902.db2.gz TWCJUBFFXMHHPJ-UHFFFAOYSA-N 0 3 324.399 3.783 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2ccccc2F)C1 ZINC000339377514 1016903123 /nfs/dbraw/zinc/90/31/23/1016903123.db2.gz KEMSOLBWMRJMJG-OAHLLOKOSA-N 0 3 310.372 3.695 20 30 DHEDHN CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000339764988 1016955382 /nfs/dbraw/zinc/95/53/82/1016955382.db2.gz XCKBWBBWEYZGCU-AUUYWEPGSA-N 0 3 319.408 3.707 20 30 DHEDHN COc1ccc(Cl)c2c1C[C@H](NCC1(C#N)CCCC1)CC2 ZINC001171284441 1032242011 /nfs/dbraw/zinc/24/20/11/1032242011.db2.gz MXENLVXCQPDLLY-CYBMUJFWSA-N 0 3 318.848 3.879 20 30 DHEDHN CN(CCSc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000612998734 1032540392 /nfs/dbraw/zinc/54/03/92/1032540392.db2.gz FQZJLVHEYWGEBV-UHFFFAOYSA-N 0 3 300.402 3.921 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@]3(CCOC3)C2)cc1Cl ZINC000093819966 1032557980 /nfs/dbraw/zinc/55/79/80/1032557980.db2.gz GQTNUZBZYDOZBN-KRWDZBQOSA-N 0 3 307.821 3.517 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@]3(CCOC3)C2)cc1Cl ZINC000093819967 1032559219 /nfs/dbraw/zinc/55/92/19/1032559219.db2.gz GQTNUZBZYDOZBN-QGZVFWFLSA-N 0 3 307.821 3.517 20 30 DHEDHN C#CC[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000773112906 1032563560 /nfs/dbraw/zinc/56/35/60/1032563560.db2.gz BNTNPRYETFPPLJ-HNAYVOBHSA-N 0 3 318.420 3.987 20 30 DHEDHN CCCOc1c(CN[C@@H]2CC[C@H](C#N)C2)cccc1OCC ZINC000424187171 1011936906 /nfs/dbraw/zinc/93/69/06/1011936906.db2.gz AGXFBGMNUVPVBC-GOEBONIOSA-N 0 3 302.418 3.656 20 30 DHEDHN COC(=O)c1ccc(CN(C)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000122869148 1032624585 /nfs/dbraw/zinc/62/45/85/1032624585.db2.gz ZIEDILZDYQOASV-CQSZACIVSA-N 0 3 308.381 3.538 20 30 DHEDHN C#CCOc1ccc(CN[C@H](c2ncccc2C)C(C)C)cc1 ZINC000115622419 1032680887 /nfs/dbraw/zinc/68/08/87/1032680887.db2.gz ITGIKFHZTXGFBC-IBGZPJMESA-N 0 3 308.425 3.889 20 30 DHEDHN C=CCC[C@H](NCC(=O)N1CCC[C@@H](C)C1)c1ccccc1 ZINC000180045077 1017358562 /nfs/dbraw/zinc/35/85/62/1017358562.db2.gz PXRVGJCUAHVFRT-AEFFLSMTSA-N 0 3 300.446 3.542 20 30 DHEDHN CCCN(Cc1ccc(F)cc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321803 1017456461 /nfs/dbraw/zinc/45/64/61/1017456461.db2.gz SSJFYFONXOEVQD-KSZLIROESA-N 0 3 316.420 3.723 20 30 DHEDHN C#CCCCCCCN1CC(c2nc(-c3ccccc3)no2)C1 ZINC000897319582 1017507571 /nfs/dbraw/zinc/50/75/71/1017507571.db2.gz QPCPJFWLLNCNQE-UHFFFAOYSA-N 0 3 309.413 3.720 20 30 DHEDHN CC(C)(C#N)CCCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC000444594236 1017581947 /nfs/dbraw/zinc/58/19/47/1017581947.db2.gz HJRJFDJTYNFTST-UHFFFAOYSA-N 0 3 322.456 3.950 20 30 DHEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCCO1 ZINC000623918051 1017586499 /nfs/dbraw/zinc/58/64/99/1017586499.db2.gz GCCXGJJBQKBXMQ-XJKSGUPXSA-N 0 3 311.347 3.604 20 30 DHEDHN CCC(CC)N(CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000557215464 1017771828 /nfs/dbraw/zinc/77/18/28/1017771828.db2.gz OTRWVXNIQMIYCK-UHFFFAOYSA-N 0 3 319.836 3.803 20 30 DHEDHN CN1CCCC[C@H]1c1ccc(NCc2ccccc2C#N)nc1 ZINC001167636226 1017827104 /nfs/dbraw/zinc/82/71/04/1017827104.db2.gz YAHQJBKVFBVQKV-SFHVURJKSA-N 0 3 306.413 3.722 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cc(C)ccc1C ZINC000524043406 1017855675 /nfs/dbraw/zinc/85/56/75/1017855675.db2.gz MWAMRQVVSXBQMW-UHFFFAOYSA-N 0 3 308.425 3.824 20 30 DHEDHN C=CCN1CCC(NC(=O)c2cc(CC)c(CCC)s2)CC1 ZINC000171723540 1017976705 /nfs/dbraw/zinc/97/67/05/1017976705.db2.gz CZMBGPNZAZPOIR-UHFFFAOYSA-N 0 3 320.502 3.643 20 30 DHEDHN C=CC[C@@H](CO)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000184271634 1018073300 /nfs/dbraw/zinc/07/33/00/1018073300.db2.gz RQRKHMQHHXJVCW-LBPRGKRZSA-N 0 3 314.410 3.583 20 30 DHEDHN Cc1ccc(O[C@@H]2CCN(CCC3(C#N)CCCCC3)C2)nc1 ZINC000858044292 1032753617 /nfs/dbraw/zinc/75/36/17/1032753617.db2.gz FECHQSMPBANXTQ-QGZVFWFLSA-N 0 3 313.445 3.707 20 30 DHEDHN C=CCOc1cccc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)c1 ZINC000447056856 1018320722 /nfs/dbraw/zinc/32/07/22/1018320722.db2.gz AGRSIMICLZFRHR-UHFFFAOYSA-N 0 3 313.445 3.904 20 30 DHEDHN N#Cc1ccc(CNCCc2csc(-c3ccccc3)n2)o1 ZINC000174247903 1018403367 /nfs/dbraw/zinc/40/33/67/1018403367.db2.gz KVRFKLXGGHJCBQ-UHFFFAOYSA-N 0 3 309.394 3.607 20 30 DHEDHN CCc1ccc([C@H](CO)N[C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000447574655 1018422713 /nfs/dbraw/zinc/42/27/13/1018422713.db2.gz OCVJFKWCRZRGSU-PMACEKPBSA-N 0 3 308.425 3.895 20 30 DHEDHN N#Cc1cc2ccccc2nc1NC[C@@H]1CCCCN1C1CC1 ZINC000764942511 1018427262 /nfs/dbraw/zinc/42/72/62/1018427262.db2.gz SKCRXGHCDXJJKO-KRWDZBQOSA-N 0 3 306.413 3.535 20 30 DHEDHN CN(C)/C=N/c1ccc(NC(C)(C)c2ccncc2)cc1C#N ZINC001171515940 1032763621 /nfs/dbraw/zinc/76/36/21/1032763621.db2.gz BRLBGYXPBAHALL-FYJGNVAPSA-N 0 3 307.401 3.522 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC[C@@H](C)CC(C)(C)C)CC1 ZINC000443111685 1018437278 /nfs/dbraw/zinc/43/72/78/1018437278.db2.gz UQGQCWVHJQBOFB-MRXNPFEDSA-N 0 3 323.525 3.789 20 30 DHEDHN COc1cc(C)nc(CN(Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000536043598 1018497410 /nfs/dbraw/zinc/49/74/10/1018497410.db2.gz MIBLLIJYZVFLPX-UHFFFAOYSA-N 0 3 323.440 3.929 20 30 DHEDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)c2c1c(F)ccc2[O-] ZINC000842886774 1018818408 /nfs/dbraw/zinc/81/84/08/1018818408.db2.gz XUXTXLRVQZBUAT-MLGOLLRUSA-N 0 3 310.372 3.935 20 30 DHEDHN C[C@H](NCc1ccc(-c2cc[nH]n2)cc1)c1ccc(C#N)cc1 ZINC000368474030 1018994681 /nfs/dbraw/zinc/99/46/81/1018994681.db2.gz ALDOFHBDQMWGBK-AWEZNQCLSA-N 0 3 302.381 3.799 20 30 DHEDHN CCC(=O)Nc1cccc(CNCc2c(C)cc(C#N)cc2C)c1 ZINC000921549639 1019048877 /nfs/dbraw/zinc/04/88/77/1019048877.db2.gz KNQWHHBEXOUNFY-UHFFFAOYSA-N 0 3 321.424 3.813 20 30 DHEDHN CCc1nn(C)c(CC)c1CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000278696465 1019055135 /nfs/dbraw/zinc/05/51/35/1019055135.db2.gz KULNPSPILFGMHP-KRWDZBQOSA-N 0 3 310.445 3.657 20 30 DHEDHN C[C@@H](NCCO[C@@H](C)C#N)c1cc(Cl)ccc1OC(F)F ZINC001168554079 1019096634 /nfs/dbraw/zinc/09/66/34/1019096634.db2.gz ZVXOGKDVXAATGA-VHSXEESVSA-N 0 3 318.751 3.521 20 30 DHEDHN C=CCC1(NCc2nc(-c3cc(C)ccn3)no2)CCCCC1 ZINC000625934657 1019104227 /nfs/dbraw/zinc/10/42/27/1019104227.db2.gz VYRPVDBVQJWUQC-UHFFFAOYSA-N 0 3 312.417 3.809 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000248688087 1019201342 /nfs/dbraw/zinc/20/13/42/1019201342.db2.gz HXMAGGVZAKCJTF-YLJYHZDGSA-N 0 3 314.473 3.712 20 30 DHEDHN COC(=O)c1cccc(CN(C2CC2)C2CCCCC2)c1C#N ZINC000611126719 1019399168 /nfs/dbraw/zinc/39/91/68/1019399168.db2.gz MCJXZPYSQGAOIP-UHFFFAOYSA-N 0 3 312.413 3.642 20 30 DHEDHN C[C@@H]1Cc2cc(CN[C@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000922072668 1019402361 /nfs/dbraw/zinc/40/23/61/1019402361.db2.gz MYJXRZFEQBHWNN-YJYMSZOUSA-N 0 3 304.393 3.659 20 30 DHEDHN COc1ccc([C@@H]2C[C@@H](NCC3(C#N)CCCC3)CCO2)cc1 ZINC001168577252 1019432080 /nfs/dbraw/zinc/43/20/80/1019432080.db2.gz OPUHAUFFZGRMJW-WMZOPIPTSA-N 0 3 314.429 3.589 20 30 DHEDHN CC[C@@H]1CN(C)c2ccccc2CN1Cc1cc(C#N)cs1 ZINC000611285844 1019434755 /nfs/dbraw/zinc/43/47/55/1019434755.db2.gz BRCUIWXKCIXICK-MRXNPFEDSA-N 0 3 311.454 3.850 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc2c(c1)COC2 ZINC000611394576 1019469257 /nfs/dbraw/zinc/46/92/57/1019469257.db2.gz QOXKTMKYGQFTRD-HXUWFJFHSA-N 0 3 304.393 3.756 20 30 DHEDHN COc1ccc([C@@H]2C[C@H](NCc3ccccc3C#N)CCO2)cc1 ZINC001168590621 1019868582 /nfs/dbraw/zinc/86/85/82/1019868582.db2.gz QAYCBAGMVFAMQM-QUCCMNQESA-N 0 3 322.408 3.577 20 30 DHEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(Br)cc1F ZINC000671740905 1019881427 /nfs/dbraw/zinc/88/14/27/1019881427.db2.gz WTJRYMDKVJBIBS-PWSUYJOCSA-N 0 3 316.214 3.566 20 30 DHEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000068706709 1019917441 /nfs/dbraw/zinc/91/74/41/1019917441.db2.gz MNNXHTGXUQYJCT-HNNXBMFYSA-N 0 3 319.408 3.536 20 30 DHEDHN C=C(C)CN1CCC(NC(=S)Nc2cc(C)cc(C)c2)CC1 ZINC000729943017 1019926813 /nfs/dbraw/zinc/92/68/13/1019926813.db2.gz XHCLWEJOYSCYAO-UHFFFAOYSA-N 0 3 317.502 3.630 20 30 DHEDHN C=CCN1CCC(Nc2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC000730076842 1019946235 /nfs/dbraw/zinc/94/62/35/1019946235.db2.gz AMLXCDDHGGIPSW-UHFFFAOYSA-N 0 3 319.758 3.816 20 30 DHEDHN CSc1ccc(CNCc2ccc3c(c2)C[C@H](C)O3)cc1C#N ZINC000922338762 1020020108 /nfs/dbraw/zinc/02/01/08/1020020108.db2.gz RZEQOUQXQWOQOP-ZDUSSCGKSA-N 0 3 324.449 3.893 20 30 DHEDHN CCS[C@@H]1CC[C@H](N(C)Cc2cc(C#N)ccc2OC)C1 ZINC000154153661 1020076986 /nfs/dbraw/zinc/07/69/86/1020076986.db2.gz SNBIYJSJHMAHIR-JKSUJKDBSA-N 0 3 304.459 3.673 20 30 DHEDHN CCCCCCCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000731465707 1020104407 /nfs/dbraw/zinc/10/44/07/1020104407.db2.gz MGLUXBAUOGUAJN-KRWDZBQOSA-N 0 3 302.462 3.866 20 30 DHEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000154975166 1020171816 /nfs/dbraw/zinc/17/18/16/1020171816.db2.gz USLJXPZWXZVQFD-DGCLKSJQSA-N 0 3 317.433 3.606 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccoc2)cc1 ZINC000131525336 1020180984 /nfs/dbraw/zinc/18/09/84/1020180984.db2.gz JBXQMHILDJSGHF-WBMJQRKESA-N 0 3 310.353 3.754 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000922702287 1020228122 /nfs/dbraw/zinc/22/81/22/1020228122.db2.gz JQRKFBPGDFYQCE-CABCVRRESA-N 0 3 322.408 3.591 20 30 DHEDHN Cc1ccc([C@@H](C)NCc2ccc(C#N)cc2C)cc1[N+](=O)[O-] ZINC000186323523 1020234852 /nfs/dbraw/zinc/23/48/52/1020234852.db2.gz XECZHXMVBBAPAR-CQSZACIVSA-N 0 3 309.369 3.934 20 30 DHEDHN CCCCCCC[C@H](C)CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000732449141 1020241206 /nfs/dbraw/zinc/24/12/06/1020241206.db2.gz JAYPHEQGHRGGMD-FUHWJXTLSA-N 0 3 323.525 3.861 20 30 DHEDHN CCOc1ccc(CNCc2ccc(C)c(C#N)c2)cc1OC ZINC000922760461 1020252834 /nfs/dbraw/zinc/25/28/34/1020252834.db2.gz AMVOBJPMNLWKNE-UHFFFAOYSA-N 0 3 310.397 3.564 20 30 DHEDHN N#CC1(c2ccccc2)CCN([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171791872 1032888963 /nfs/dbraw/zinc/88/89/63/1032888963.db2.gz CUSXUOZWNCNJNM-GOSISDBHSA-N 0 3 320.411 3.850 20 30 DHEDHN COc1cc(CN[C@@H]2CCCc3ccc(F)cc32)ccc1C#N ZINC000281840447 1020350077 /nfs/dbraw/zinc/35/00/77/1020350077.db2.gz YKMQDDFQLXFILA-GOSISDBHSA-N 0 3 310.372 3.873 20 30 DHEDHN C=CCCc1ccccc1NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000667029382 1032894795 /nfs/dbraw/zinc/89/47/95/1032894795.db2.gz ZIAMSUZVOIUYMY-INIZCTEOSA-N 0 3 315.461 3.800 20 30 DHEDHN C=CCOCCN1CCC(c2nc3ccccc3s2)CC1 ZINC000338897931 1020378001 /nfs/dbraw/zinc/37/80/01/1020378001.db2.gz CADRLSWYAQBEOA-UHFFFAOYSA-N 0 3 302.443 3.678 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2sccc2C(C)C)CC1 ZINC000106034745 1020388879 /nfs/dbraw/zinc/38/88/79/1020388879.db2.gz ZUZDFGHJYZQAJE-UHFFFAOYSA-N 0 3 306.475 3.642 20 30 DHEDHN CC(C)[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1cnn(C)c1 ZINC000922891419 1020407307 /nfs/dbraw/zinc/40/73/07/1020407307.db2.gz VDVSVSWIKLUURU-GOSISDBHSA-N 0 3 310.445 3.708 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cc(C)c(O)c(C)c1 ZINC000347653003 1020442958 /nfs/dbraw/zinc/44/29/58/1020442958.db2.gz QQCNCLKJUAVKEX-UHFFFAOYSA-N 0 3 324.424 3.529 20 30 DHEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000056201687 1020479093 /nfs/dbraw/zinc/47/90/93/1020479093.db2.gz YNAORPOJNPFOCU-LSDHHAIUSA-N 0 3 307.397 3.545 20 30 DHEDHN C=C(Cl)CN[C@H]1CCc2cccc(Br)c2C1 ZINC000378865648 1020521558 /nfs/dbraw/zinc/52/15/58/1020521558.db2.gz ZVJMEIYRKHNHOT-NSHDSACASA-N 0 3 300.627 3.649 20 30 DHEDHN CCCCN(CCC#N)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168654287 1020572983 /nfs/dbraw/zinc/57/29/83/1020572983.db2.gz RSCPFQRRXQLNOK-MJGOQNOKSA-N 0 3 316.445 3.931 20 30 DHEDHN CCCCN(CCC#N)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168654285 1020574287 /nfs/dbraw/zinc/57/42/87/1020574287.db2.gz RSCPFQRRXQLNOK-HKUYNNGSSA-N 0 3 316.445 3.931 20 30 DHEDHN Cc1nc(C=NNc2cc(F)c(F)cc2F)c2ccccn12 ZINC000734301529 1020583649 /nfs/dbraw/zinc/58/36/49/1020583649.db2.gz CPOOMNMOFTVYTJ-UHFFFAOYSA-N 0 3 304.275 3.506 20 30 DHEDHN CCC(CC)CN(CCC#N)CCCC1(C#N)CCOCC1 ZINC000337190088 1032916570 /nfs/dbraw/zinc/91/65/70/1032916570.db2.gz RODTUHKDUSBZQO-UHFFFAOYSA-N 0 3 305.466 3.739 20 30 DHEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1c1cccc(C)c1C ZINC000303861673 1020609220 /nfs/dbraw/zinc/60/92/20/1020609220.db2.gz GPONKVFOGPIYJY-IBGZPJMESA-N 0 3 312.457 3.641 20 30 DHEDHN COCc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180029158 1020708695 /nfs/dbraw/zinc/70/86/95/1020708695.db2.gz WAXUSDMQISWBDZ-UHFFFAOYSA-N 0 3 306.409 3.869 20 30 DHEDHN C=CC[C@@H](CO)CN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000414090918 1020876698 /nfs/dbraw/zinc/87/66/98/1020876698.db2.gz CZGYWXSKAZCPLB-ZIAGYGMSSA-N 0 3 302.443 3.645 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3cccs3)nc21 ZINC000739192761 1020900234 /nfs/dbraw/zinc/90/02/34/1020900234.db2.gz PJGPUTLJKOEPLQ-NEPJUHHUSA-N 0 3 309.394 3.913 20 30 DHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H](C)c3cccs3)[nH]c21 ZINC000739192761 1020900238 /nfs/dbraw/zinc/90/02/38/1020900238.db2.gz PJGPUTLJKOEPLQ-NEPJUHHUSA-N 0 3 309.394 3.913 20 30 DHEDHN CC(C)CN(CCC#N)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000739914065 1020925044 /nfs/dbraw/zinc/92/50/44/1020925044.db2.gz DSOCXRQPQJPUNW-INIZCTEOSA-N 0 3 323.481 3.505 20 30 DHEDHN CC1(C)CC[C@@H](CC(=O)C(C#N)c2nc3ccccc3o2)OC1 ZINC000892553665 1020988192 /nfs/dbraw/zinc/98/81/92/1020988192.db2.gz RHUDAIUOJCDYDR-STQMWFEESA-N 0 3 312.369 3.599 20 30 DHEDHN N#Cc1ccc(-c2ccc(-n3nc(CN)c4ccccc43)cc2)o1 ZINC001167697713 1021116024 /nfs/dbraw/zinc/11/60/24/1021116024.db2.gz CPVCCTOWDCOROL-UHFFFAOYSA-N 0 3 314.348 3.616 20 30 DHEDHN CC(C)(C)C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000452069352 1021128187 /nfs/dbraw/zinc/12/81/87/1021128187.db2.gz DTVGRMMMFTZVLV-HNNXBMFYSA-N 0 3 324.428 3.866 20 30 DHEDHN N#CC(C(=O)c1ccc2ccc(Cl)cc2n1)c1ccccn1 ZINC000176459347 1021130589 /nfs/dbraw/zinc/13/05/89/1021130589.db2.gz GQZBIRAJLDEMGD-ZDUSSCGKSA-N 0 3 307.740 3.773 20 30 DHEDHN C[C@@H](NCc1cccc(Cn2ccnc2)c1)c1ccc(C#N)cc1 ZINC000181471357 1021192781 /nfs/dbraw/zinc/19/27/81/1021192781.db2.gz QTPLTXPDYCJCDU-MRXNPFEDSA-N 0 3 316.408 3.654 20 30 DHEDHN O=[N+]([O-])c1cccc(NN=Cc2ccc(N3CCCCC3)o2)c1 ZINC000917565613 1021297898 /nfs/dbraw/zinc/29/78/98/1021297898.db2.gz RKAUXGUIWLCTLF-UHFFFAOYSA-N 0 3 314.345 3.624 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@](C)(C(F)(F)F)C2)cc1 ZINC000877812154 1033462877 /nfs/dbraw/zinc/46/28/77/1033462877.db2.gz IGZUYCPZCXUXKU-DOMZBBRYSA-N 0 3 312.335 3.752 20 30 DHEDHN CO[C@]1(C(F)(F)F)CCCN(CCCCC(C)(C)C#N)C1 ZINC000618308061 1021352608 /nfs/dbraw/zinc/35/26/08/1021352608.db2.gz GWMAJMLLJCFVTO-CQSZACIVSA-N 0 3 306.372 3.750 20 30 DHEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cccc(F)c1F ZINC000181998550 1021424769 /nfs/dbraw/zinc/42/47/69/1021424769.db2.gz SJSJFDFAWHFSOO-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN N#CC(C(=O)C=Cc1nc2ccccc2s1)c1ccccn1 ZINC000069952320 1021441441 /nfs/dbraw/zinc/44/14/41/1021441441.db2.gz BJHYRAGMFJEXPP-IDVQTMNDSA-N 0 3 305.362 3.581 20 30 DHEDHN Cc1cc(F)cc2c1CN(CCCC1(C#N)CCOCC1)CC2 ZINC000337416626 1032981188 /nfs/dbraw/zinc/98/11/88/1032981188.db2.gz RQFYDMNRSCKTEA-UHFFFAOYSA-N 0 3 316.420 3.593 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNC[C@H](C)c1ccccn1 ZINC000850342270 1021479452 /nfs/dbraw/zinc/47/94/52/1021479452.db2.gz JOFNLEFEVCBVFL-AWEZNQCLSA-N 0 3 314.816 3.640 20 30 DHEDHN C=CCCC1(CNCc2ncc(CN(C)C)s2)CCCC1 ZINC000850352131 1021482726 /nfs/dbraw/zinc/48/27/26/1021482726.db2.gz MNXDIJAABBRZGH-UHFFFAOYSA-N 0 3 307.507 3.821 20 30 DHEDHN CC[C@H](CC#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172086522 1032984293 /nfs/dbraw/zinc/98/42/93/1032984293.db2.gz CHGBSMPFHDHTSP-FPCVCCKLSA-N 0 3 321.465 3.589 20 30 DHEDHN C#CCOc1ccc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)cc1 ZINC000850394736 1021507684 /nfs/dbraw/zinc/50/76/84/1021507684.db2.gz BGRHMJJGKJJNDH-NHCUHLMSSA-N 0 3 323.436 3.546 20 30 DHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(C(F)F)nc1 ZINC000850441933 1021534993 /nfs/dbraw/zinc/53/49/93/1021534993.db2.gz DXMPGPDNWFUUDS-LBPRGKRZSA-N 0 3 317.339 3.772 20 30 DHEDHN Cc1cccc2c1CN(Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000763505015 1021538967 /nfs/dbraw/zinc/53/89/67/1021538967.db2.gz LPWWQPRASMZPTH-MRXNPFEDSA-N 0 3 306.409 3.844 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000850473557 1021553973 /nfs/dbraw/zinc/55/39/73/1021553973.db2.gz ZLQINRGXUCHKPY-INIZCTEOSA-N 0 3 321.420 3.874 20 30 DHEDHN CCCCCCCOc1ccc([C@@H](C)N[C@H]2CCNC2=O)cc1 ZINC000850482192 1021555936 /nfs/dbraw/zinc/55/59/36/1021555936.db2.gz QMUBBJMLVYDRHT-QAPCUYQASA-N 0 3 318.461 3.575 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850529379 1021581447 /nfs/dbraw/zinc/58/14/47/1021581447.db2.gz QWWNVBUOZXMNHH-XUVXKRRUSA-N 0 3 304.393 3.704 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1(C#N)CCCCC1 ZINC000850738644 1021631397 /nfs/dbraw/zinc/63/13/97/1021631397.db2.gz OMDKUFGDPQUCPW-CQSZACIVSA-N 0 3 320.396 3.614 20 30 DHEDHN CCCC[C@](C)(F)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000850739208 1021634911 /nfs/dbraw/zinc/63/49/11/1021634911.db2.gz UGYOEGTZARMFBO-PXAZEXFGSA-N 0 3 301.365 3.668 20 30 DHEDHN N#CC(C(=O)C1CC2(CC2(F)F)C1)c1ccc2ccccc2n1 ZINC000850741424 1021635223 /nfs/dbraw/zinc/63/52/23/1021635223.db2.gz KCHLDJSPLONAPY-JZLYGMAVSA-N 0 3 312.319 3.846 20 30 DHEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)C1CC2(CC2)C1 ZINC000850759592 1021641821 /nfs/dbraw/zinc/64/18/21/1021641821.db2.gz KUQQZDGJWKGNET-INIZCTEOSA-N 0 3 318.376 3.677 20 30 DHEDHN CC(C)[C@@H](CO)N(Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000128335040 1021746924 /nfs/dbraw/zinc/74/69/24/1021746924.db2.gz SNGRVKITOJBSHW-GOSISDBHSA-N 0 3 314.454 3.639 20 30 DHEDHN CCCCCCC[C@@H](C)CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000745704547 1021768455 /nfs/dbraw/zinc/76/84/55/1021768455.db2.gz KOCKNDRDIVNOKY-MSOLQXFVSA-N 0 3 321.509 3.639 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000182696416 1021768544 /nfs/dbraw/zinc/76/85/44/1021768544.db2.gz ZEGJVNZSYWRUKX-CVEARBPZSA-N 0 3 320.364 3.518 20 30 DHEDHN C=C(CC)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC001123897207 1021784256 /nfs/dbraw/zinc/78/42/56/1021784256.db2.gz AAKSKNAMUWQLDA-UHFFFAOYSA-N 0 3 322.836 3.718 20 30 DHEDHN C[C@@H]1c2ccc(F)cc2CCN1CCCC1(C#N)CCOCC1 ZINC000619620399 1021811219 /nfs/dbraw/zinc/81/12/19/1021811219.db2.gz GHFRCDHXDQZIOG-OAHLLOKOSA-N 0 3 316.420 3.845 20 30 DHEDHN C[C@H]1c2ccc(F)cc2CCN1CCCC1(C#N)CCOCC1 ZINC000619620398 1021812159 /nfs/dbraw/zinc/81/21/59/1021812159.db2.gz GHFRCDHXDQZIOG-HNNXBMFYSA-N 0 3 316.420 3.845 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2C[C@@](C)(OC)C2(C)C)c([O-])c1 ZINC000745975748 1021816188 /nfs/dbraw/zinc/81/61/88/1021816188.db2.gz APMVYHBKKNHFIX-FLWYYKORSA-N 0 3 318.461 3.861 20 30 DHEDHN COc1cccc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000728712075 1021865543 /nfs/dbraw/zinc/86/55/43/1021865543.db2.gz XPVFTHWWBPOOIL-LSDHHAIUSA-N 0 3 310.397 3.837 20 30 DHEDHN Cc1ccc(N(CCC#N)C(=O)CN(C(C)C)C(C)C)cc1C ZINC000183066354 1021964961 /nfs/dbraw/zinc/96/49/61/1021964961.db2.gz SPOVCPNYWSJVLP-UHFFFAOYSA-N 0 3 315.461 3.669 20 30 DHEDHN CCCCCCC[C@H](C)CNC(=S)NC1CCN(C)CC1 ZINC000920310850 1022097719 /nfs/dbraw/zinc/09/77/19/1022097719.db2.gz GZSLEBRQIHYBTP-HNNXBMFYSA-N 0 3 313.555 3.541 20 30 DHEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCC(C)(C)C#N ZINC000776581823 1022099610 /nfs/dbraw/zinc/09/96/10/1022099610.db2.gz MOZPBDAWXBLONK-HUUCEWRRSA-N 0 3 323.481 3.694 20 30 DHEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Br)C(C)(C)C1 ZINC000481068314 1022102606 /nfs/dbraw/zinc/10/26/06/1022102606.db2.gz CQOOJPAJOXHZON-NSHDSACASA-N 0 3 307.235 3.941 20 30 DHEDHN C[C@@H]1CCCN(CCC(C)(C)C#N)[C@@H]1CNC(=O)OC(C)(C)C ZINC000776588631 1022114573 /nfs/dbraw/zinc/11/45/73/1022114573.db2.gz ADONTEUAAPOTGB-HUUCEWRRSA-N 0 3 323.481 3.551 20 30 DHEDHN C[C@@H]1CCCN(CCC(C)(C)C#N)[C@H]1CNC(=O)OC(C)(C)C ZINC000776588620 1022115650 /nfs/dbraw/zinc/11/56/50/1022115650.db2.gz ADONTEUAAPOTGB-CABCVRRESA-N 0 3 323.481 3.551 20 30 DHEDHN N#Cc1ccc(NC(=O)CNC2(c3ccccc3)CCCC2)cc1 ZINC000183544552 1022182390 /nfs/dbraw/zinc/18/23/90/1022182390.db2.gz RIDYJSVLEMNNHC-UHFFFAOYSA-N 0 3 319.408 3.556 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000853598735 1022295612 /nfs/dbraw/zinc/29/56/12/1022295612.db2.gz VMUMPJRUOPSCEQ-HDICACEKSA-N 0 3 324.384 3.599 20 30 DHEDHN C#Cc1cccnc1NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000853627872 1022301526 /nfs/dbraw/zinc/30/15/26/1022301526.db2.gz IJMFAJGTVGOLDS-IBGZPJMESA-N 0 3 323.440 3.565 20 30 DHEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccc(F)cc1F ZINC000181593869 1022310390 /nfs/dbraw/zinc/31/03/90/1022310390.db2.gz ATIMOMXVCWVWRZ-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN Cc1nccc([C@@H]2CCCN([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000615438245 1022475669 /nfs/dbraw/zinc/47/56/69/1022475669.db2.gz SGNSOITVESMUFP-RDTXWAMCSA-N 0 3 306.413 3.597 20 30 DHEDHN CS[C@H](C)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000103330565 1022506807 /nfs/dbraw/zinc/50/68/07/1022506807.db2.gz ORVMJZYLOMJBKM-ZYHUDNBSSA-N 0 3 302.424 3.738 20 30 DHEDHN C=CCOc1ccc(CNC[C@H](O)c2ccc(C)o2)cc1Cl ZINC000265973892 1022576892 /nfs/dbraw/zinc/57/68/92/1022576892.db2.gz LLDDZIFGWCXHJW-HNNXBMFYSA-N 0 3 321.804 3.629 20 30 DHEDHN N#CCOc1ccc(CNCc2cc(F)cc(Cl)c2)cc1 ZINC000776799485 1022596900 /nfs/dbraw/zinc/59/69/00/1022596900.db2.gz HDEWQXYZBSIQFT-UHFFFAOYSA-N 0 3 304.752 3.671 20 30 DHEDHN CC[C@@H](C#N)Oc1cc(CNCc2cccs2)ccc1OC ZINC000113347766 1022635517 /nfs/dbraw/zinc/63/55/17/1022635517.db2.gz NLYHTRJVBPTOMI-AWEZNQCLSA-N 0 3 316.426 3.727 20 30 DHEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cn2)C12CCCCC2 ZINC000584756939 1022709297 /nfs/dbraw/zinc/70/92/97/1022709297.db2.gz DVKYPZNFWCIXKS-MSOLQXFVSA-N 0 3 313.445 3.513 20 30 DHEDHN COc1cc(CNCc2ccc(C#N)c(C)c2)ccc1OC(C)C ZINC000767682263 1022777640 /nfs/dbraw/zinc/77/76/40/1022777640.db2.gz QGJUCBUYHHIMCX-UHFFFAOYSA-N 0 3 324.424 3.952 20 30 DHEDHN CCCCCCCCN[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000856789016 1022869165 /nfs/dbraw/zinc/86/91/65/1022869165.db2.gz YNVSKEVXPSAAOC-QGZVFWFLSA-N 0 3 309.475 3.606 20 30 DHEDHN N#Cc1ccc(CN(Cc2ccc3c(c2)COC3)C2CC2)cc1 ZINC000768258176 1022936459 /nfs/dbraw/zinc/93/64/59/1022936459.db2.gz SBLHNRJFWAUEIS-UHFFFAOYSA-N 0 3 304.393 3.753 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2c2ccccn2)cc1 ZINC000768353931 1022950867 /nfs/dbraw/zinc/95/08/67/1022950867.db2.gz CMFFNZRQVKEKRT-BEFAXECRSA-N 0 3 307.397 3.710 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1cc(F)c(F)cc1F ZINC001172289623 1033096983 /nfs/dbraw/zinc/09/69/83/1033096983.db2.gz GEMHLKNGCLPJMF-NSHDSACASA-N 0 3 304.315 3.696 20 30 DHEDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418154097 1022981480 /nfs/dbraw/zinc/98/14/80/1022981480.db2.gz ZUBWQYUOLSTLNY-LJQANCHMSA-N 0 3 321.380 3.942 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000876608150 1033104139 /nfs/dbraw/zinc/10/41/39/1033104139.db2.gz ZUROUMARNUQERP-HZPDHXFCSA-N 0 3 306.837 3.504 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000876606550 1033104398 /nfs/dbraw/zinc/10/43/98/1033104398.db2.gz BUVNZAGGRKVLDW-HOTGVXAUSA-N 0 3 306.837 3.600 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC000876667623 1033117434 /nfs/dbraw/zinc/11/74/34/1033117434.db2.gz JFALZLFYKWEECW-ZIAGYGMSSA-N 0 3 315.244 3.623 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1c1ccc(C)cc1 ZINC000876663118 1033118301 /nfs/dbraw/zinc/11/83/01/1033118301.db2.gz QKLVYKUZTNJOCM-HOTGVXAUSA-N 0 3 306.837 3.519 20 30 DHEDHN COc1ccc(C#N)cc1CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124142198 1023306197 /nfs/dbraw/zinc/30/61/97/1023306197.db2.gz SJMFLJKDXOFDBM-UONOGXRCSA-N 0 3 312.335 3.778 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000876685628 1033122108 /nfs/dbraw/zinc/12/21/08/1033122108.db2.gz TVDOLASDMHXLAN-IXDOHACOSA-N 0 3 320.864 3.559 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000876701787 1033126002 /nfs/dbraw/zinc/12/60/02/1033126002.db2.gz XVUBYWUMIJGPCH-NSHDSACASA-N 0 3 320.742 3.590 20 30 DHEDHN CC[C@@H](C)c1ccc([C@@H](NCC(=O)NCCC#N)C(C)C)cc1 ZINC000198751761 1023371132 /nfs/dbraw/zinc/37/11/32/1023371132.db2.gz FPSNBAKLTINQHI-BEFAXECRSA-N 0 3 315.461 3.517 20 30 DHEDHN CO[C@@H](CNCc1ccc(C#N)s1)c1ccccc1Cl ZINC000124975865 1023389595 /nfs/dbraw/zinc/38/95/95/1023389595.db2.gz AFMXIAAUADDPCW-HNNXBMFYSA-N 0 3 306.818 3.750 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NC(CC(C)C)CC(C)C)CC1 ZINC000592296021 1023420855 /nfs/dbraw/zinc/42/08/55/1023420855.db2.gz VFTGRHCFVDAWLR-UHFFFAOYSA-N 0 3 323.525 3.787 20 30 DHEDHN COc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1C#N ZINC000093116401 1023448573 /nfs/dbraw/zinc/44/85/73/1023448573.db2.gz NQNWIPQNDVLZCK-SFHVURJKSA-N 0 3 310.372 3.873 20 30 DHEDHN CCCCCCC[C@H](CC)N1CC(N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001172360050 1033139355 /nfs/dbraw/zinc/13/93/55/1033139355.db2.gz IHRKKESMIDLLKO-BZSNNMDCSA-N 0 3 310.526 3.919 20 30 DHEDHN N#CC1(c2ccc(CN[C@@H]3CCc4ccc(O)cc43)cc2)CC1 ZINC000594979571 1023618497 /nfs/dbraw/zinc/61/84/97/1023618497.db2.gz JYOUSOBRHLIHLG-LJQANCHMSA-N 0 3 304.393 3.724 20 30 DHEDHN C=CCN(Cc1cnc(N2CCCC2)nc1)CC1CCCCC1 ZINC000538731094 1033153622 /nfs/dbraw/zinc/15/36/22/1033153622.db2.gz XZRZGIZYQOHEDE-UHFFFAOYSA-N 0 3 314.477 3.645 20 30 DHEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000787035469 1023751967 /nfs/dbraw/zinc/75/19/67/1023751967.db2.gz VOOXITXGDNAPBN-VFNWGFHPSA-N 0 3 316.404 3.908 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(F)cc1C ZINC000746663589 1023777321 /nfs/dbraw/zinc/77/73/21/1023777321.db2.gz RXUBHYUTAAQWLU-HXUWFJFHSA-N 0 3 324.399 3.727 20 30 DHEDHN Clc1cccc(C#CCN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000661874104 1023792087 /nfs/dbraw/zinc/79/20/87/1023792087.db2.gz IFZFMIGZQXEBPN-MJGOQNOKSA-N 0 3 317.860 3.973 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000662082640 1023894991 /nfs/dbraw/zinc/89/49/91/1023894991.db2.gz WQZHICBSESLNTO-RRQGHBQHSA-N 0 3 318.848 3.700 20 30 DHEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000788537958 1023901160 /nfs/dbraw/zinc/90/11/60/1023901160.db2.gz LFZCDGHNVXMEPA-RTBURBONSA-N 0 3 312.388 3.545 20 30 DHEDHN CCc1ccc([C@@H](O)CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000789372326 1024065914 /nfs/dbraw/zinc/06/59/14/1024065914.db2.gz WQUXFBCUJTYWAT-YJYMSZOUSA-N 0 3 312.388 3.644 20 30 DHEDHN C#CCn1ccc(CN(CC)[C@@H]2CC[C@](C)(c3ccccc3)C2)n1 ZINC000789759220 1024157890 /nfs/dbraw/zinc/15/78/90/1024157890.db2.gz QGXQQLSNNZWPNU-RTWAWAEBSA-N 0 3 321.468 3.849 20 30 DHEDHN C=CCCC[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccccc1 ZINC000883220737 1024297791 /nfs/dbraw/zinc/29/77/91/1024297791.db2.gz OMNFNKWWEQDMDI-QGZVFWFLSA-N 0 3 321.486 3.641 20 30 DHEDHN C=CCC[C@H](Cc1ccccc1)NCc1csc(COC)n1 ZINC000883223129 1024299624 /nfs/dbraw/zinc/29/96/24/1024299624.db2.gz IVTUYYQQJXRLOS-MRXNPFEDSA-N 0 3 316.470 3.957 20 30 DHEDHN C=CCC[C@@H](NCc1noc2cc(F)ccc21)[C@@H]1CCCO1 ZINC000883243272 1024312189 /nfs/dbraw/zinc/31/21/89/1024312189.db2.gz GSPLMEWKROOJJF-ZBFHGGJFSA-N 0 3 304.365 3.570 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796737885 1024374441 /nfs/dbraw/zinc/37/44/41/1024374441.db2.gz FRWUACDVLQOBSA-XHSDSOJGSA-N 0 3 315.376 3.553 20 30 DHEDHN N#Cc1ccc(CN[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000075943881 1024519813 /nfs/dbraw/zinc/51/98/13/1024519813.db2.gz AFSYJTHBGPZIQZ-OAQYLSRUSA-N 0 3 319.452 3.875 20 30 DHEDHN C=CCC1(NCc2cn(Cc3ccccc3)nn2)CCCCC1 ZINC000859743860 1033217963 /nfs/dbraw/zinc/21/79/63/1033217963.db2.gz JSMSAJLYLMGPRE-UHFFFAOYSA-N 0 3 310.445 3.695 20 30 DHEDHN C=C(C)COCCNCc1ccc(-c2c(F)cccc2F)o1 ZINC000532139490 1024566355 /nfs/dbraw/zinc/56/63/55/1024566355.db2.gz DRECRQLMPLOKEZ-UHFFFAOYSA-N 0 3 307.340 3.907 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000106039879 1024592339 /nfs/dbraw/zinc/59/23/39/1024592339.db2.gz BDRSBXGUJCNFKF-UHFFFAOYSA-N 0 3 308.425 3.610 20 30 DHEDHN N#CC(C(=O)C=Cc1cncc(F)c1)c1nccc2ccccc21 ZINC000792102374 1024624886 /nfs/dbraw/zinc/62/48/86/1024624886.db2.gz IITBZLWBXJVFHN-FUTAKVPZSA-N 0 3 317.323 3.659 20 30 DHEDHN CCC#C[C@H](C)N1CCCN(c2cccc(Cl)c2C)CC1 ZINC001170243754 1024708507 /nfs/dbraw/zinc/70/85/07/1024708507.db2.gz IUJUGUUCPBBFSS-HNNXBMFYSA-N 0 3 304.865 3.962 20 30 DHEDHN CCCCCCCC[C@@H](CC)N1CCN(c2ncncn2)CC1 ZINC001172503568 1033231877 /nfs/dbraw/zinc/23/18/77/1033231877.db2.gz YNNFGQFBIWTZEC-QGZVFWFLSA-N 0 3 319.497 3.523 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N2CCN3CCCC[C@H]3C2)CC1 ZINC001170387660 1024762176 /nfs/dbraw/zinc/76/21/76/1024762176.db2.gz ZFZODEDTCBERIB-KBWCOIMZSA-N 0 3 323.484 3.561 20 30 DHEDHN CC(C)[C@@H](CNCc1cc(C#N)cnc1Cl)c1cccnc1 ZINC000877082497 1033234690 /nfs/dbraw/zinc/23/46/90/1033234690.db2.gz WECJKNMLTJJRKF-MRXNPFEDSA-N 0 3 314.820 3.531 20 30 DHEDHN C[C@H](CCCC#N)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001172507509 1033235270 /nfs/dbraw/zinc/23/52/70/1033235270.db2.gz VLMOPTLZQFRHEK-OAHLLOKOSA-N 0 3 305.853 3.540 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000182117380 1024909565 /nfs/dbraw/zinc/90/95/65/1024909565.db2.gz VPMKNXJYSAWGTQ-CVEARBPZSA-N 0 3 318.829 3.893 20 30 DHEDHN C#CCn1ccc(CN(CC)C[C@@H](c2ccccc2)C(C)C)n1 ZINC000793183051 1024927253 /nfs/dbraw/zinc/92/72/53/1024927253.db2.gz BBSQQZKMFXCTKC-HXUWFJFHSA-N 0 3 309.457 3.778 20 30 DHEDHN Cc1ccc(CN[C@@H](C)CC(C)(C)C#N)c(O[C@H]2CCOC2)c1 ZINC000925268472 1024976748 /nfs/dbraw/zinc/97/67/48/1024976748.db2.gz MFEYNERFWDZZMZ-RDJZCZTQSA-N 0 3 316.445 3.581 20 30 DHEDHN COc1cc(CNCc2ccc(C(F)F)cc2)ccc1C#N ZINC000353196570 1024979451 /nfs/dbraw/zinc/97/94/51/1024979451.db2.gz UUXUUSMWPCCQSG-UHFFFAOYSA-N 0 3 302.324 3.794 20 30 DHEDHN COc1cc(CNCc2c(C)oc3ccccc32)ccc1C#N ZINC000353233299 1024991951 /nfs/dbraw/zinc/99/19/51/1024991951.db2.gz WXZLWKKXTQLFIF-UHFFFAOYSA-N 0 3 306.365 3.911 20 30 DHEDHN CCOc1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000353262718 1025005374 /nfs/dbraw/zinc/00/53/74/1025005374.db2.gz IPMSDWYUPPEXNO-GOSISDBHSA-N 0 3 322.408 3.743 20 30 DHEDHN N#Cc1ccc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)s1 ZINC000120790309 1025053783 /nfs/dbraw/zinc/05/37/83/1025053783.db2.gz GNQHQECGGKBIJG-KBXCAEBGSA-N 0 3 312.438 3.877 20 30 DHEDHN Cc1sccc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000353549235 1025125710 /nfs/dbraw/zinc/12/57/10/1025125710.db2.gz JEGBULARXYFWGT-UHFFFAOYSA-N 0 3 300.427 3.577 20 30 DHEDHN C=C[C@H](CO)N[C@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000353564727 1025134416 /nfs/dbraw/zinc/13/44/16/1025134416.db2.gz HXYNZOAAHZGOLS-DOMZBBRYSA-N 0 3 324.262 3.698 20 30 DHEDHN C=C[C@H](C)NCc1cn(-c2ccccc2Br)nc1C ZINC000655749137 1025174483 /nfs/dbraw/zinc/17/44/83/1025174483.db2.gz QJEOYKQRAZBGBS-NSHDSACASA-N 0 3 320.234 3.607 20 30 DHEDHN C[C@H](NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000353664301 1025185510 /nfs/dbraw/zinc/18/55/10/1025185510.db2.gz WAIFCSNQTXDDNY-BOUXLOLZSA-N 0 3 324.399 3.514 20 30 DHEDHN N#Cc1ccc(NC(=O)CN[C@H](c2ccccc2)C2CCC2)cc1 ZINC000104700258 1025251248 /nfs/dbraw/zinc/25/12/48/1025251248.db2.gz NBRHTKLVBAZNTB-HXUWFJFHSA-N 0 3 319.408 3.628 20 30 DHEDHN Cc1cc(C)c(C([O-])=C(C#N)c2nc3ccccc3s2)c(=O)[nH]1 ZINC000354221257 1025384528 /nfs/dbraw/zinc/38/45/28/1025384528.db2.gz SEBCYTNCAWNJSN-NSHDSACASA-N 0 3 323.377 3.504 20 30 DHEDHN Cc1cc(C)c(C(=O)C(C#N)c2nc3ccccc3s2)c(=O)[nH]1 ZINC000354221257 1025384541 /nfs/dbraw/zinc/38/45/41/1025384541.db2.gz SEBCYTNCAWNJSN-NSHDSACASA-N 0 3 323.377 3.504 20 30 DHEDHN C=CCCCCCN1CCCC[C@]12CC(=O)N(CC(C)C)C2 ZINC001275328690 1025438014 /nfs/dbraw/zinc/43/80/14/1025438014.db2.gz ATPULZYOXLPTTC-LJQANCHMSA-N 0 3 306.494 3.846 20 30 DHEDHN CC[C@@H](C)N[C@H](CNc1snc(Cl)c1C#N)c1ccco1 ZINC000804780879 1025480704 /nfs/dbraw/zinc/48/07/04/1025480704.db2.gz FEEAHLHITVUVAK-MWLCHTKSSA-N 0 3 324.837 3.802 20 30 DHEDHN Cc1ccccc1O[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC001137119397 1033287503 /nfs/dbraw/zinc/28/75/03/1033287503.db2.gz LSCKBGKBIHIHIB-IBGZPJMESA-N 0 3 322.408 3.551 20 30 DHEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000747233168 1025563080 /nfs/dbraw/zinc/56/30/80/1025563080.db2.gz HZYQQYLBVXSGJI-MWLCHTKSSA-N 0 3 308.403 3.753 20 30 DHEDHN CCN(Cc1cnc2onc(C)c2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000893950752 1025622324 /nfs/dbraw/zinc/62/23/24/1025622324.db2.gz AFYZJABYKWOJGV-CQSZACIVSA-N 0 3 320.396 3.986 20 30 DHEDHN C=C(C)[C@@H]1CC=C(COC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000805891299 1025701224 /nfs/dbraw/zinc/70/12/24/1025701224.db2.gz PFPBHLBQDFPGAX-MRXNPFEDSA-N 0 3 303.446 3.707 20 30 DHEDHN C=CCCC[C@@H](COc1ccccc1)NCc1cc(C)ncn1 ZINC000886556525 1025702636 /nfs/dbraw/zinc/70/26/36/1025702636.db2.gz DUXMZAONVRTRPO-KRWDZBQOSA-N 0 3 311.429 3.679 20 30 DHEDHN Cc1ccc([C@@H]2CSCCN2CCCSCC#N)cc1 ZINC000074991063 1025831240 /nfs/dbraw/zinc/83/12/40/1025831240.db2.gz MKMQWSGJKGHVEF-INIZCTEOSA-N 0 3 306.500 3.732 20 30 DHEDHN C[C@H]1CCC[C@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075637843 1025846660 /nfs/dbraw/zinc/84/66/60/1025846660.db2.gz UWWALPDFYJAKLC-BBRMVZONSA-N 0 3 310.401 3.619 20 30 DHEDHN C[C@@H]1CCC[C@@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075637845 1025848792 /nfs/dbraw/zinc/84/87/92/1025848792.db2.gz UWWALPDFYJAKLC-CZUORRHYSA-N 0 3 310.401 3.619 20 30 DHEDHN C=CCC[C@H](NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1ccco1 ZINC000886771671 1025889434 /nfs/dbraw/zinc/88/94/34/1025889434.db2.gz LTWRNEGXVRRTFD-NLEPDTAZSA-N 0 3 319.445 3.849 20 30 DHEDHN C=CCC[C@@H](NCCC(=O)NCc1ccccc1)c1ccco1 ZINC000356072144 1025938936 /nfs/dbraw/zinc/93/89/36/1025938936.db2.gz ZXGIYLPLQBSNNM-QGZVFWFLSA-N 0 3 312.413 3.583 20 30 DHEDHN C=CCOc1ccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000356526672 1026074909 /nfs/dbraw/zinc/07/49/09/1026074909.db2.gz ONJMRTQAPFHFOF-RBUKOAKNSA-N 0 3 313.441 3.785 20 30 DHEDHN CN(CC(=O)Nc1sccc1C#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419330632 1026173647 /nfs/dbraw/zinc/17/36/47/1026173647.db2.gz IBYXDMAPOLVHKU-KBPBESRZSA-N 0 3 319.474 3.705 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(NC(=O)CC(C)C)c2)cc1 ZINC000290010642 1026281993 /nfs/dbraw/zinc/28/19/93/1026281993.db2.gz GMIJJLIKCZFFOT-UHFFFAOYSA-N 0 3 320.436 3.942 20 30 DHEDHN CCOCC(C)(C)C/[NH+]=C\c1ccc(N(CC)CC)cc1[O-] ZINC000809144174 1026467623 /nfs/dbraw/zinc/46/76/23/1026467623.db2.gz GHSXXOBIFYSZTJ-UNOMPAQXSA-N 0 3 306.450 3.720 20 30 DHEDHN C#Cc1ccc(CN(C)Cc2ccccc2N2CCCC2)cc1 ZINC000809541593 1026548894 /nfs/dbraw/zinc/54/88/94/1026548894.db2.gz UVSAZWZJLJWZSX-UHFFFAOYSA-N 0 3 304.437 3.900 20 30 DHEDHN C#Cc1ccc(CNCc2cc(CC=C)c(OC)c(OC)c2)cc1 ZINC000809616637 1026565148 /nfs/dbraw/zinc/56/51/48/1026565148.db2.gz SUXMROROFKRZRW-UHFFFAOYSA-N 0 3 321.420 3.703 20 30 DHEDHN C#C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000809683746 1026592778 /nfs/dbraw/zinc/59/27/78/1026592778.db2.gz MPOAJFYVFKIVFK-CQSZACIVSA-N 0 3 307.422 3.712 20 30 DHEDHN C#C[C@@H](NCc1c(C)nn(Cc2ccc(C)cc2)c1C)C(C)C ZINC000809685186 1026592814 /nfs/dbraw/zinc/59/28/14/1026592814.db2.gz FCBMAYXXOQGQBL-HXUWFJFHSA-N 0 3 309.457 3.604 20 30 DHEDHN C#C[C@H](CC)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000809685930 1026592844 /nfs/dbraw/zinc/59/28/44/1026592844.db2.gz AEZPIKOISRCYCT-GOSISDBHSA-N 0 3 309.409 3.776 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000809728504 1026594687 /nfs/dbraw/zinc/59/46/87/1026594687.db2.gz ADTRIPNMTRUWSC-FQEVSTJZSA-N 0 3 320.440 3.769 20 30 DHEDHN C#CCN(Cc1cc(-n2ccnc2)cs1)Cc1ccccc1 ZINC000809716991 1026603810 /nfs/dbraw/zinc/60/38/10/1026603810.db2.gz AYKAUJPNTINADL-UHFFFAOYSA-N 0 3 307.422 3.569 20 30 DHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(-c2ccsc2)n1 ZINC000280660823 1026687647 /nfs/dbraw/zinc/68/76/47/1026687647.db2.gz PBTWVQKWINDQKL-IUODEOHRSA-N 0 3 320.483 3.942 20 30 DHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(-c2cccs2)n1 ZINC000280696305 1026692985 /nfs/dbraw/zinc/69/29/85/1026692985.db2.gz SASRTQDVLCCJJI-SWLSCSKDSA-N 0 3 320.483 3.942 20 30 DHEDHN CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(C)cc1[O-] ZINC000810250676 1026729461 /nfs/dbraw/zinc/72/94/61/1026729461.db2.gz OEFCBHYNSPWGNZ-KRWDZBQOSA-N 0 3 310.397 3.822 20 30 DHEDHN FC(F)(F)c1ccc([C@@H]2CCCCC2=Nn2cnnc2)cc1 ZINC000747624031 1026823160 /nfs/dbraw/zinc/82/31/60/1026823160.db2.gz HILBPZIRYZPGAV-ZDUSSCGKSA-N 0 3 308.307 3.859 20 30 DHEDHN C=CCOc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000414488623 1026912314 /nfs/dbraw/zinc/91/23/14/1026912314.db2.gz RJBMTSTZMQQPIG-AZUAARDMSA-N 0 3 309.409 3.559 20 30 DHEDHN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000421343740 1026957841 /nfs/dbraw/zinc/95/78/41/1026957841.db2.gz QMSULEUIHQREEB-KZULUSFZSA-N 0 3 316.351 3.702 20 30 DHEDHN CN(C)c1ncc(C=NN(c2ccccc2)c2ccccc2)n1C ZINC000811629151 1027038714 /nfs/dbraw/zinc/03/87/14/1027038714.db2.gz SXHMWFGJCHBHKN-UHFFFAOYSA-N 0 3 319.412 3.658 20 30 DHEDHN N#CCC[C@H](C#N)CNCC1(Cc2cccc(Cl)c2)CC1 ZINC000571303613 1027119632 /nfs/dbraw/zinc/11/96/32/1027119632.db2.gz FJISVDIBUCFZEF-OAHLLOKOSA-N 0 3 301.821 3.696 20 30 DHEDHN C[C@H](CN(Cc1ccccc1C#N)[C@@H](C)CO)c1ccccc1 ZINC000561909849 1027120070 /nfs/dbraw/zinc/12/00/70/1027120070.db2.gz ACOUALFZLYQONH-SJORKVTESA-N 0 3 308.425 3.545 20 30 DHEDHN CC[C@H](NCc1ccc(NC(C)=O)cc1)c1ccc(C#N)cc1 ZINC000571771138 1027146057 /nfs/dbraw/zinc/14/60/57/1027146057.db2.gz DLUVURMGQGNXBI-IBGZPJMESA-N 0 3 307.397 3.758 20 30 DHEDHN N#CC1(CCCCN2CCO[C@@H](C(F)(F)F)CC2)CCC1 ZINC000931620943 1027191298 /nfs/dbraw/zinc/19/12/98/1027191298.db2.gz SPKFTCIDVYEJJX-CYBMUJFWSA-N 0 3 304.356 3.504 20 30 DHEDHN CO[C@@]1(C(F)(F)F)CCN(CCCCC2(C#N)CCC2)C1 ZINC000931687476 1027218545 /nfs/dbraw/zinc/21/85/45/1027218545.db2.gz XRBKFFVHQGCZIJ-AWEZNQCLSA-N 0 3 304.356 3.504 20 30 DHEDHN CC1CCC(Oc2cc(CN[C@H]3CC[C@H](C#N)C3)ccn2)CC1 ZINC000573066545 1027256020 /nfs/dbraw/zinc/25/60/20/1027256020.db2.gz BXHWBOUZMSYLDK-FYRJDAGRSA-N 0 3 313.445 3.821 20 30 DHEDHN C=CCc1cc(CN2CC(C)(C)[C@@H]2C2CC2)cc(OC)c1O ZINC000562206405 1027292414 /nfs/dbraw/zinc/29/24/14/1027292414.db2.gz XELNOEYGVDNVLW-SFHVURJKSA-N 0 3 301.430 3.750 20 30 DHEDHN Cc1cc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)ccc1C#N ZINC000931910223 1027299996 /nfs/dbraw/zinc/29/99/96/1027299996.db2.gz BVUYZUXETJHULF-AWEZNQCLSA-N 0 3 312.310 3.733 20 30 DHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cccc(CC#N)c1F ZINC001170681469 1027339790 /nfs/dbraw/zinc/33/97/90/1027339790.db2.gz GHVVUUUVCYWIJR-ZDUSSCGKSA-N 0 3 320.371 3.764 20 30 DHEDHN C#C[C@H](N[C@@H]1CCc2ccc(OC)cc2C1)c1ccc(F)cc1 ZINC000812793959 1027423540 /nfs/dbraw/zinc/42/35/40/1027423540.db2.gz LHXWHYKVSVQBPA-QUCCMNQESA-N 0 3 309.384 3.656 20 30 DHEDHN CCC#C[C@@H](C)N1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000812864117 1027459330 /nfs/dbraw/zinc/45/93/30/1027459330.db2.gz YBGBXCHMEGLCAF-UZLBHIALSA-N 0 3 315.457 3.633 20 30 DHEDHN C=CCCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944930 1027655108 /nfs/dbraw/zinc/65/51/08/1027655108.db2.gz OLKOCVADSJBZJS-OCAPTIKFSA-N 0 3 323.227 3.665 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000047740718 1027679102 /nfs/dbraw/zinc/67/91/02/1027679102.db2.gz CUSZMZLIBZXZSX-UHFFFAOYSA-N 0 3 309.369 3.879 20 30 DHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CCC1 ZINC000933301481 1027713481 /nfs/dbraw/zinc/71/34/81/1027713481.db2.gz RAYDMGRSJMGKSX-ZDUSSCGKSA-N 0 3 304.821 3.511 20 30 DHEDHN N#Cc1ccc(CN[C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000813854926 1027729418 /nfs/dbraw/zinc/72/94/18/1027729418.db2.gz IDUUNNQTCOOXJA-PXNSSMCTSA-N 0 3 324.399 3.955 20 30 DHEDHN N#CCCCOc1cccc(CNCc2ccc(CC#N)cc2)c1 ZINC000577729641 1027911695 /nfs/dbraw/zinc/91/16/95/1027911695.db2.gz UBMPAYYEJQUELD-UHFFFAOYSA-N 0 3 319.408 3.725 20 30 DHEDHN C=CCCC[C@@H](C(=O)NC[C@@H]1CCCCN1C)c1ccccc1 ZINC001134555745 1028159224 /nfs/dbraw/zinc/15/92/24/1028159224.db2.gz CPPGOZZRISWVPP-RBUKOAKNSA-N 0 3 314.473 3.727 20 30 DHEDHN N#Cc1c(F)ccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1Cl ZINC000367688862 1028228898 /nfs/dbraw/zinc/22/88/98/1028228898.db2.gz TWMTXEYFMYLHNC-FDQGKXFDSA-N 0 3 312.775 3.779 20 30 DHEDHN CN(C)c1ccccc1CNN=C1CC[C@H]2CNc3cccc1c32 ZINC000814925399 1028287761 /nfs/dbraw/zinc/28/77/61/1028287761.db2.gz AKCZVHFPWCLTOS-HNNXBMFYSA-N 0 3 320.440 3.549 20 30 DHEDHN CC(C)c1nccn1[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000369032903 1028436889 /nfs/dbraw/zinc/43/68/89/1028436889.db2.gz SZEKWWYKXLDWCI-GOSISDBHSA-N 0 3 308.429 3.715 20 30 DHEDHN CC(=O)Nc1cccc2c1CCN(CCCCC(C)(C)C#N)C2 ZINC000369351203 1028477411 /nfs/dbraw/zinc/47/74/11/1028477411.db2.gz AKWMQEKZPRSGGM-UHFFFAOYSA-N 0 3 313.445 3.723 20 30 DHEDHN C=CCOCCN(Cc1cc(OC)ccc1OC)C(C)(C)C ZINC000564807009 1028504895 /nfs/dbraw/zinc/50/48/95/1028504895.db2.gz QQFMHSVRVHJGRL-UHFFFAOYSA-N 0 3 307.434 3.507 20 30 DHEDHN C=CCOCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815615432 1028569042 /nfs/dbraw/zinc/56/90/42/1028569042.db2.gz PMRJDLBWFUCUBH-LJQANCHMSA-N 0 3 311.425 3.858 20 30 DHEDHN C=CCOc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cc1OC ZINC000565512564 1028596988 /nfs/dbraw/zinc/59/69/88/1028596988.db2.gz AQUUGEOSRGOOJH-SFHVURJKSA-N 0 3 301.430 3.880 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@H](OCC)[C@@H](C)C2)cc1OC ZINC000449489753 1028699013 /nfs/dbraw/zinc/69/90/13/1028699013.db2.gz AXVDQJLNNNNHIN-RDJZCZTQSA-N 0 3 319.445 3.507 20 30 DHEDHN N#CC(C(=O)CCc1ncc(-c2ccccc2)o1)c1ccccn1 ZINC000041482691 1028732274 /nfs/dbraw/zinc/73/22/74/1028732274.db2.gz WTSZBGCKGLHWPK-HNNXBMFYSA-N 0 3 317.348 3.546 20 30 DHEDHN N#CC(C(=O)CCc1ncc(-c2ccccc2)o1)c1ccccn1 ZINC000041482693 1028733711 /nfs/dbraw/zinc/73/37/11/1028733711.db2.gz WTSZBGCKGLHWPK-OAHLLOKOSA-N 0 3 317.348 3.546 20 30 DHEDHN CC(=NNCCOC(C)C)c1ccc(N2CCCCCC2)cc1 ZINC000778549935 1028772636 /nfs/dbraw/zinc/77/26/36/1028772636.db2.gz ISQJTHSVDHWSCM-UHFFFAOYSA-N 0 3 317.477 3.806 20 30 DHEDHN C=C(C)CN(CC)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000411203721 1029062644 /nfs/dbraw/zinc/06/26/44/1029062644.db2.gz ZYTMKLLIGWIMJB-UHFFFAOYSA-N 0 3 300.446 3.711 20 30 DHEDHN C=CCN(C)CCN(CC)Cc1nc(-c2ccsc2)oc1C ZINC000411646987 1029175283 /nfs/dbraw/zinc/17/52/83/1029175283.db2.gz WYWVYELCHHBRPJ-UHFFFAOYSA-N 0 3 319.474 3.651 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3occc3c2)CC1 ZINC000529282710 1029194829 /nfs/dbraw/zinc/19/48/29/1029194829.db2.gz NAAMXXZCLCUBPX-UHFFFAOYSA-N 0 3 313.401 3.595 20 30 DHEDHN N#CC1(CCN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCCCC1 ZINC000411746447 1029197389 /nfs/dbraw/zinc/19/73/89/1029197389.db2.gz OGPWBRZGNKNVOL-DLBZAZTESA-N 0 3 302.462 3.884 20 30 DHEDHN N#CC1(CCN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CCCCC1 ZINC000411746450 1029197962 /nfs/dbraw/zinc/19/79/62/1029197962.db2.gz OGPWBRZGNKNVOL-IRXDYDNUSA-N 0 3 302.462 3.884 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H]2CCN2C2CCCC2)CCCCC1 ZINC000628966321 1029202240 /nfs/dbraw/zinc/20/22/40/1029202240.db2.gz OMQFOVZNHYACID-KRWDZBQOSA-N 0 3 304.478 3.646 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000374256896 1029262155 /nfs/dbraw/zinc/26/21/55/1029262155.db2.gz BLDFCPXGWFBNRA-OXJNMPFZSA-N 0 3 322.408 3.631 20 30 DHEDHN Cc1nc(C(C#N)C(=O)Nc2cccc(Cl)c2)sc1C ZINC000155661613 1029273208 /nfs/dbraw/zinc/27/32/08/1029273208.db2.gz BVNXPQDRAOKWGQ-LBPRGKRZSA-N 0 3 305.790 3.659 20 30 DHEDHN COC1([C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC000412021648 1029291753 /nfs/dbraw/zinc/29/17/53/1029291753.db2.gz NCQVQRMIOSMACJ-ZDUSSCGKSA-N 0 3 311.347 3.604 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000121076717 1029493193 /nfs/dbraw/zinc/49/31/93/1029493193.db2.gz IALQEKXKALHTGY-GJZGRUSLSA-N 0 3 306.475 3.698 20 30 DHEDHN C=CCOCCCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451016904 1029768413 /nfs/dbraw/zinc/76/84/13/1029768413.db2.gz JAZNYDXUVJVRJL-INIZCTEOSA-N 0 3 319.836 3.946 20 30 DHEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2Cl)C12CCC2 ZINC000451481519 1029880534 /nfs/dbraw/zinc/88/05/34/1029880534.db2.gz RKEXGLYICPWVEJ-CVEARBPZSA-N 0 3 304.821 3.649 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@](C)(CC)C1 ZINC000468126588 1029979802 /nfs/dbraw/zinc/97/98/02/1029979802.db2.gz LADXPRSPGTWUGB-YJBOKZPZSA-N 0 3 320.502 3.773 20 30 DHEDHN N#Cc1ccc2c(c1)CN([C@H]1CCc3cccc(F)c3C1)CC2 ZINC001170986433 1030019901 /nfs/dbraw/zinc/01/99/01/1030019901.db2.gz UDHDPUUDWZBJBL-SFHVURJKSA-N 0 3 306.384 3.613 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2cc3cnccc3o2)cc1 ZINC000865855085 1030062101 /nfs/dbraw/zinc/06/21/01/1030062101.db2.gz VBVPWEFOASRYHU-KBPBESRZSA-N 0 3 321.380 3.969 20 30 DHEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000924698721 1030163650 /nfs/dbraw/zinc/16/36/50/1030163650.db2.gz GFDATTFGOAPHAE-GJZGRUSLSA-N 0 3 315.461 3.633 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000924847882 1030204066 /nfs/dbraw/zinc/20/40/66/1030204066.db2.gz FXGYVHMPOOQHPB-KBRIMQKVSA-N 0 3 304.409 3.964 20 30 DHEDHN C[C@@H](NC[C@@H]1c2ccccc2CN1C)c1ccc(C#N)cc1F ZINC000866563943 1030375593 /nfs/dbraw/zinc/37/55/93/1030375593.db2.gz QHDMPPGBAFJKCS-BFUOFWGJSA-N 0 3 309.388 3.535 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000533505178 1030392331 /nfs/dbraw/zinc/39/23/31/1030392331.db2.gz BSVZPWGOYPFPLU-LPHOPBHVSA-N 0 3 312.457 3.707 20 30 DHEDHN C=CC[C@@H](CO)CN[C@@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000925692705 1030455934 /nfs/dbraw/zinc/45/59/34/1030455934.db2.gz AFEDSGVTCYPLRD-XLIONFOSSA-N 0 3 310.441 3.562 20 30 DHEDHN CC1(C)CC(N=Nc2ncccc2F)CN1Cc1ccccc1 ZINC000794993727 1030541029 /nfs/dbraw/zinc/54/10/29/1030541029.db2.gz PQPPTMSRTRRCQZ-UHFFFAOYSA-N 0 3 312.392 3.673 20 30 DHEDHN Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358574038 1030543532 /nfs/dbraw/zinc/54/35/32/1030543532.db2.gz RLCVKOLJZVYCLH-GHMZBOCLSA-N 0 3 301.365 3.584 20 30 DHEDHN C[C@H](CC(C)(C)C#N)Nc1cccc(CN2CCSCC2)c1 ZINC000925917878 1030547364 /nfs/dbraw/zinc/54/73/64/1030547364.db2.gz XTOOFPWNKUQHJJ-OAHLLOKOSA-N 0 3 317.502 3.976 20 30 DHEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C)s1 ZINC001275614323 1030604146 /nfs/dbraw/zinc/60/41/46/1030604146.db2.gz GVXOGTTULISXPE-GOSISDBHSA-N 0 3 318.486 3.590 20 30 DHEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCCC#N)c1ccccc1 ZINC000926132551 1030627863 /nfs/dbraw/zinc/62/78/63/1030627863.db2.gz MFXIRCXXSMPYMQ-HOCLYGCPSA-N 0 3 317.433 3.534 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000926368295 1030714053 /nfs/dbraw/zinc/71/40/53/1030714053.db2.gz VEHSPNJJWRBOJS-WMZOPIPTSA-N 0 3 323.440 3.508 20 30 DHEDHN N#CC1(CN[C@@H](Cc2ccccc2)Cc2cccnc2)CCC1 ZINC000926627823 1030829000 /nfs/dbraw/zinc/82/90/00/1030829000.db2.gz RAYZPDSSDJFHRW-IBGZPJMESA-N 0 3 305.425 3.519 20 30 DHEDHN COCCOc1ccc([C@@H](C)NCc2ccc(C)c(C#N)c2)cc1 ZINC000926967362 1031017493 /nfs/dbraw/zinc/01/74/93/1031017493.db2.gz RLFVMRFZBZUGKT-MRXNPFEDSA-N 0 3 324.424 3.743 20 30 DHEDHN C[C@@H](NC[C@@H]1OCCc2ccccc21)c1ccc(C#N)cc1F ZINC000611587899 1031112229 /nfs/dbraw/zinc/11/22/29/1031112229.db2.gz ZOMKBDZARKLJDX-YJYMSZOUSA-N 0 3 310.372 3.662 20 30 DHEDHN N#Cc1cccc(CN[C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000293478783 1031485838 /nfs/dbraw/zinc/48/58/38/1031485838.db2.gz RBQREDSSTKIRAB-PXNSSMCTSA-N 0 3 324.399 3.955 20 30 DHEDHN COc1ccc(CN(Cc2cncc(C#N)c2)[C@@H](C)C2CC2)cc1 ZINC000929332459 1031495600 /nfs/dbraw/zinc/49/56/00/1031495600.db2.gz QAXTVHOKHPAAFF-HNNXBMFYSA-N 0 3 321.424 3.763 20 30 DHEDHN N#Cc1ccc(CN(C[C@H]2CC[C@@H](C(F)(F)F)O2)C2CC2)cc1 ZINC000929368009 1031503643 /nfs/dbraw/zinc/50/36/43/1031503643.db2.gz UGZJTUCIZOXEML-CVEARBPZSA-N 0 3 324.346 3.633 20 30 DHEDHN C#C[C@H]1CC[C@H](N[C@H](c2ccc(OC)cc2)c2ccccn2)CC1 ZINC000872139513 1031534152 /nfs/dbraw/zinc/53/41/52/1031534152.db2.gz KVLMSOHHYXJHII-HGHGUNKESA-N 0 3 320.436 3.961 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H](OC3CCC3)CC2)cc1F ZINC000872258953 1031562327 /nfs/dbraw/zinc/56/23/27/1031562327.db2.gz HIMNKDPLRFTVAV-QGZVFWFLSA-N 0 3 302.393 3.621 20 30 DHEDHN Cc1ccccc1[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000537288967 1031565800 /nfs/dbraw/zinc/56/58/00/1031565800.db2.gz BJRCCRWMSAABHH-FQEVSTJZSA-N 0 3 319.408 3.546 20 30 DHEDHN CC[C@@H](CNCc1ccc(C#N)o1)Oc1cccc(Cl)c1 ZINC000537312951 1031567807 /nfs/dbraw/zinc/56/78/07/1031567807.db2.gz ZCKSNGDXHGSBDC-ZDUSSCGKSA-N 0 3 304.777 3.752 20 30 DHEDHN CN(C)c1ncccc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360838174 1031585200 /nfs/dbraw/zinc/58/52/00/1031585200.db2.gz SZCIEONPJAQIPF-LJQANCHMSA-N 0 3 320.440 3.577 20 30 DHEDHN C[C@H](NCCO[C@H]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000537405492 1031591692 /nfs/dbraw/zinc/59/16/92/1031591692.db2.gz LKFUVYONWAXTNF-GLJUWKHASA-N 0 3 304.409 3.943 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001144580504 1031719315 /nfs/dbraw/zinc/71/93/15/1031719315.db2.gz FCNLNCFDRLFRNB-NRFANRHFSA-N 0 3 316.404 3.583 20 30 DHEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1csc(C)n1)C(C)C ZINC000361098561 1031726307 /nfs/dbraw/zinc/72/63/07/1031726307.db2.gz UEJKHYYXGNRRML-WMLDXEAASA-N 0 3 307.507 3.801 20 30 DHEDHN Cc1ccccc1N1CCN([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171202771 1031781064 /nfs/dbraw/zinc/78/10/64/1031781064.db2.gz GAINPSFPAMPRMU-SFHVURJKSA-N 0 3 319.452 3.620 20 30 DHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1CCC=CCC1 ZINC000873497828 1031846972 /nfs/dbraw/zinc/84/69/72/1031846972.db2.gz PMDRNUOPOBAINS-HNNXBMFYSA-N 0 3 316.788 3.734 20 30 DHEDHN N#CCCCOc1cccc(CN2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846109258 1031859700 /nfs/dbraw/zinc/85/97/00/1031859700.db2.gz UDZKVJNVBUXKQD-KRWDZBQOSA-N 0 3 320.383 3.990 20 30 DHEDHN CC[C@@](O)(CN[C@@H](CCCC#N)c1ccccc1)C(F)(F)F ZINC000930571922 1031873851 /nfs/dbraw/zinc/87/38/51/1031873851.db2.gz ZUZWTCGTCPLQLE-LSDHHAIUSA-N 0 3 314.351 3.715 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N(C)Cc1ccc(F)cc1F ZINC001171230692 1031994024 /nfs/dbraw/zinc/99/40/24/1031994024.db2.gz XNEDROSTYOEUFB-ZDUSSCGKSA-N 0 3 300.352 3.899 20 30 DHEDHN C=CCN(CCOC)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000361645804 1032036552 /nfs/dbraw/zinc/03/65/52/1032036552.db2.gz FMAZFIIKXMHFTR-UHFFFAOYSA-N 0 3 312.413 3.817 20 30 DHEDHN C#CCCCCCCN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000877412110 1033296306 /nfs/dbraw/zinc/29/63/06/1033296306.db2.gz UQJJVIDLOPMLEX-IBGZPJMESA-N 0 3 313.420 3.822 20 30 DHEDHN Cc1cc(F)ccc1C[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877622129 1033385059 /nfs/dbraw/zinc/38/50/59/1033385059.db2.gz GIKUVBUIFWKHIS-GFCCVEGCSA-N 0 3 317.795 3.775 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)c2ccco2)cc1 ZINC000860470681 1033390247 /nfs/dbraw/zinc/39/02/47/1033390247.db2.gz TWMLXOKOUYHUDU-XJKSGUPXSA-N 0 3 324.380 3.683 20 30 DHEDHN Cc1ccc2c(c1)C[C@H](NC(=N)c1ccc3ccccc3n1)CC2 ZINC001172831800 1033396267 /nfs/dbraw/zinc/39/62/67/1033396267.db2.gz PLBPTUBSESXYTO-GOSISDBHSA-N 0 3 315.420 3.806 20 30 DHEDHN CCCCCCC[C@H](C)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000877677680 1033407582 /nfs/dbraw/zinc/40/75/82/1033407582.db2.gz YMGLBZJDMCGMSX-AWEZNQCLSA-N 0 3 308.470 3.537 20 30 DHEDHN CN(CCc1cccc(C#N)c1)Cc1ccc(C(F)F)nc1 ZINC000877705314 1033417888 /nfs/dbraw/zinc/41/78/88/1033417888.db2.gz ZMIABKJYYBNXQL-UHFFFAOYSA-N 0 3 301.340 3.565 20 30 DHEDHN N#CCC1(CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000878089444 1033577403 /nfs/dbraw/zinc/57/74/03/1033577403.db2.gz NECAFXFSRSNIPO-QGZVFWFLSA-N 0 3 318.848 3.779 20 30 DHEDHN CCC[C@@H]1CCCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878186198 1033612867 /nfs/dbraw/zinc/61/28/67/1033612867.db2.gz HBBALHGZPCBTSL-QUCCMNQESA-N 0 3 312.457 3.939 20 30 DHEDHN CSCC[C@@H](C)N(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878251348 1033635803 /nfs/dbraw/zinc/63/58/03/1033635803.db2.gz XOUZCHBUHFDWMX-CRAIPNDOSA-N 0 3 318.486 3.500 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](C)C2(CCC2)C1)c1ccccc1 ZINC000878337098 1033664345 /nfs/dbraw/zinc/66/43/45/1033664345.db2.gz BVIGHUXRNOXORC-DYESRHJHSA-N 0 3 324.468 3.939 20 30 DHEDHN COC(=O)c1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1C ZINC000878356242 1033671235 /nfs/dbraw/zinc/67/12/35/1033671235.db2.gz SHSTYWZQVJPXBP-CQSZACIVSA-N 0 3 308.381 3.504 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc2ccc(Cl)cc2n1 ZINC000878680772 1033796769 /nfs/dbraw/zinc/79/67/69/1033796769.db2.gz UYKILRSCINXCCR-WBVHZDCISA-N 0 3 302.805 3.711 20 30 DHEDHN COc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1C#N ZINC000174318753 1033921362 /nfs/dbraw/zinc/92/13/62/1033921362.db2.gz DLUBDAVHJUYUCA-KRWDZBQOSA-N 0 3 312.800 3.997 20 30 DHEDHN CN(C)Cc1ccccc1Nc1cccc(C#CC(C)(C)O)c1 ZINC001173930314 1033996252 /nfs/dbraw/zinc/99/62/52/1033996252.db2.gz CRUDZXGCTQWLEF-UHFFFAOYSA-N 0 3 308.425 3.614 20 30 DHEDHN C[NH+](C)[C@@H]1CCCC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863125092 1034000518 /nfs/dbraw/zinc/00/05/18/1034000518.db2.gz MXNRUFHUOCQKJO-GFCCVEGCSA-N 0 3 315.446 3.564 20 30 DHEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3ccccc3Cl)CC2)C1 ZINC000339052345 1034006861 /nfs/dbraw/zinc/00/68/61/1034006861.db2.gz OFNBWKYSVYSTRJ-KBPBESRZSA-N 0 3 304.821 3.875 20 30 DHEDHN CC(C)(NCc1ccc(C#N)cc1OC(F)F)[C@H]1CCCCO1 ZINC000879409988 1034010851 /nfs/dbraw/zinc/01/08/51/1034010851.db2.gz KCFQVJYIJOMDHI-OAHLLOKOSA-N 0 3 324.371 3.597 20 30 DHEDHN CCN(CCOC)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000554283490 1034067564 /nfs/dbraw/zinc/06/75/64/1034067564.db2.gz XDAJLVRBFMNCQZ-UHFFFAOYSA-N 0 3 322.452 3.855 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)c(C)c1OC ZINC000554292659 1034076021 /nfs/dbraw/zinc/07/60/21/1034076021.db2.gz DWLUUXZMDAFOCF-OAHLLOKOSA-N 0 3 324.424 3.929 20 30 DHEDHN Cc1cncc([C@H]2CCCN2Cc2ccc(OCC#N)cc2)c1 ZINC000879747876 1034109748 /nfs/dbraw/zinc/10/97/48/1034109748.db2.gz SHVPMPLGYVHDBC-LJQANCHMSA-N 0 3 307.397 3.630 20 30 DHEDHN C[C@@H]1NCCO[C@H]1c1ccc(-c2cc(Cl)cc(C#N)c2)cc1 ZINC000863979492 1034236956 /nfs/dbraw/zinc/23/69/56/1034236956.db2.gz GDAHIMZBRNZVFY-KPZWWZAWSA-N 0 3 312.800 3.928 20 30 DHEDHN CC(C)[C@@H](NCc1cc(C#N)ccc1F)[C@@H](O)c1ccccc1 ZINC000794606783 1034308143 /nfs/dbraw/zinc/30/81/43/1034308143.db2.gz RPFXYLFCYVDLJN-MOPGFXCFSA-N 0 3 312.388 3.545 20 30 DHEDHN C=CCC[C@@H](O)CN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180570992 1034342740 /nfs/dbraw/zinc/34/27/40/1034342740.db2.gz SHFAMWKVJNRVLD-ZIAGYGMSSA-N 0 3 305.315 3.736 20 30 DHEDHN Cc1cnc(C(C)(C)NCCCOc2cccc(C#N)c2)s1 ZINC000183938771 1034431628 /nfs/dbraw/zinc/43/16/28/1034431628.db2.gz HKCZMZBKQOTGCD-UHFFFAOYSA-N 0 3 315.442 3.617 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)C(C)(C)CO3)n1 ZINC000555064464 1034483762 /nfs/dbraw/zinc/48/37/62/1034483762.db2.gz ZTVJQEZZICDUSD-GFCCVEGCSA-N 0 3 312.394 3.612 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccncc2CC)cc1 ZINC000773428542 1034713816 /nfs/dbraw/zinc/71/38/16/1034713816.db2.gz QCWPBSPHMDBZTO-INIZCTEOSA-N 0 3 308.425 3.897 20 30 DHEDHN COc1cccc(C2(F)CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000555503957 1034767321 /nfs/dbraw/zinc/76/73/21/1034767321.db2.gz ZKDDSGITBNRFIT-ZBFHGGJFSA-N 0 3 302.393 3.648 20 30 DHEDHN CC(C)(C)[C@H](C#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842333740 1034915917 /nfs/dbraw/zinc/91/59/17/1034915917.db2.gz MUEAYFUYULMLJE-KRWDZBQOSA-N 0 3 314.429 3.768 20 30 DHEDHN N#Cc1ccc(CNC2([C@@H]3CCCCO3)CCC2)c(Cl)c1 ZINC001175630045 1035054836 /nfs/dbraw/zinc/05/48/36/1035054836.db2.gz BGQSSDBLPCOHMB-INIZCTEOSA-N 0 3 304.821 3.793 20 30 DHEDHN Cc1[nH]nc2cc(Nc3sc4c(c3C#N)CCN(C)C4)ccc12 ZINC001175659189 1035075632 /nfs/dbraw/zinc/07/56/32/1035075632.db2.gz FPLYVOFPGFJXBD-UHFFFAOYSA-N 0 3 323.425 3.536 20 30 DHEDHN C=CCCC[C@@H](NCC(=O)NCC1CCC1)c1ccccc1 ZINC001175774541 1035118230 /nfs/dbraw/zinc/11/82/30/1035118230.db2.gz GKSCGQLCJQHUGF-GOSISDBHSA-N 0 3 300.446 3.590 20 30 DHEDHN C=C(CC)CN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483268537 1035248973 /nfs/dbraw/zinc/24/89/73/1035248973.db2.gz KIERBCWEYSAXQW-CYBMUJFWSA-N 0 3 307.743 3.948 20 30 DHEDHN C[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000192927338 1035278928 /nfs/dbraw/zinc/27/89/28/1035278928.db2.gz RNURSHPJZQJQNT-OAHLLOKOSA-N 0 3 319.408 3.536 20 30 DHEDHN C[C@H](C#N)OCCN1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176665867 1035310916 /nfs/dbraw/zinc/31/09/16/1035310916.db2.gz ZOTLFIYRMMACQE-DOMZBBRYSA-N 0 3 312.866 3.727 20 30 DHEDHN C=CCC[C@H]1CCCN1Cc1nnc(-c2ccccc2OC)o1 ZINC001176767373 1035329174 /nfs/dbraw/zinc/32/91/74/1035329174.db2.gz HMLBWTOLAYRCCS-AWEZNQCLSA-N 0 3 313.401 3.676 20 30 DHEDHN C=CCN(CCOC)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000484570609 1035363591 /nfs/dbraw/zinc/36/35/91/1035363591.db2.gz LBXNZLLNIFXALR-UHFFFAOYSA-N 0 3 306.409 3.860 20 30 DHEDHN C=CCN(CC(=O)N(C)Cc1ccccc1)CC1CCCCC1 ZINC000484564404 1035364973 /nfs/dbraw/zinc/36/49/73/1035364973.db2.gz ADDFUINZSSDDMI-UHFFFAOYSA-N 0 3 314.473 3.713 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc3c(c2)C[C@H](C)O3)cc1 ZINC001178699884 1035444019 /nfs/dbraw/zinc/44/40/19/1035444019.db2.gz CYQGJNPFZUIRHD-HNNXBMFYSA-N 0 3 309.409 3.865 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(OC)c(C)c2)cc1 ZINC001179690444 1035489822 /nfs/dbraw/zinc/48/98/22/1035489822.db2.gz GNBBFZCFWLPSPV-MRXNPFEDSA-N 0 3 309.409 3.866 20 30 DHEDHN C#CCN(Cc1cc(Cl)c(OCC=C)c(OC)c1)CC1CC1 ZINC001180116877 1035600656 /nfs/dbraw/zinc/60/06/56/1035600656.db2.gz MZYIFWDNEMZYTH-UHFFFAOYSA-N 0 3 319.832 3.759 20 30 DHEDHN CCOc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1OC ZINC000594964772 1035826050 /nfs/dbraw/zinc/82/60/50/1035826050.db2.gz GCFWPYVYYRFOSP-UHFFFAOYSA-N 0 3 324.424 3.990 20 30 DHEDHN C#CCN(CCC(=O)Nc1cc(F)ccc1C)Cc1ccccc1 ZINC001194165899 1035854513 /nfs/dbraw/zinc/85/45/13/1035854513.db2.gz WIMFQYQCGHCSMO-UHFFFAOYSA-N 0 3 324.399 3.598 20 30 DHEDHN C=C(C)CN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153126094 1035855915 /nfs/dbraw/zinc/85/59/15/1035855915.db2.gz OXVRDOXDLAMRPO-LBPRGKRZSA-N 0 3 324.350 3.504 20 30 DHEDHN C=CCC[C@@H](NCC(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000540458899 1036070050 /nfs/dbraw/zinc/07/00/50/1036070050.db2.gz YIBDXJKRKHYFRU-HXUWFJFHSA-N 0 3 322.452 3.908 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C)c1 ZINC000773975353 1036103893 /nfs/dbraw/zinc/10/38/93/1036103893.db2.gz KKWASMVJQZXQDA-UKRRQHHQSA-N 0 3 300.402 3.715 20 30 DHEDHN CCCCN(CC)[C@H](C(=O)N[C@H](CC)CC#N)c1ccccc1 ZINC001182234294 1036138171 /nfs/dbraw/zinc/13/81/71/1036138171.db2.gz CWCJKECZWHUMDT-MSOLQXFVSA-N 0 3 315.461 3.658 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2Cc3ccccc3O2)c([O-])c1 ZINC000914701326 1036248580 /nfs/dbraw/zinc/24/85/80/1036248580.db2.gz GGQJAAPZNRHRGE-LANLRWRYSA-N 0 3 324.424 3.661 20 30 DHEDHN CC(C)CCN(CCC(C)C)CC(=O)Nc1sccc1C#N ZINC000027271849 1036254090 /nfs/dbraw/zinc/25/40/90/1036254090.db2.gz QGNSETVKTFWBRF-UHFFFAOYSA-N 0 3 321.490 3.952 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000668625157 1036287214 /nfs/dbraw/zinc/28/72/14/1036287214.db2.gz HJWXGXOHUONUOV-CVEARBPZSA-N 0 3 319.445 3.649 20 30 DHEDHN Cc1csc2nc(C)c(CNC(C)(C)c3cccc(C#N)c3)n12 ZINC001182874842 1036468805 /nfs/dbraw/zinc/46/88/05/1036468805.db2.gz UKKJLZVYULKCGM-UHFFFAOYSA-N 0 3 324.453 3.909 20 30 DHEDHN CC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000271830101 1036550665 /nfs/dbraw/zinc/55/06/65/1036550665.db2.gz UFCKPBZWUBBTRZ-MSOLQXFVSA-N 0 3 316.351 3.611 20 30 DHEDHN N#Cc1cc(F)ccc1N1CCN(CCC2=CCCCC2)CC1 ZINC001197041132 1036670672 /nfs/dbraw/zinc/67/06/72/1036670672.db2.gz IQCVKLQJPJJXES-UHFFFAOYSA-N 0 3 313.420 3.710 20 30 DHEDHN N#CCc1ccc(CN2CCc3nc[nH]c3C23CCCCC3)cc1 ZINC001197751384 1036867691 /nfs/dbraw/zinc/86/76/91/1036867691.db2.gz PKICKVCFLZBTLQ-UHFFFAOYSA-N 0 3 320.440 3.693 20 30 DHEDHN CC[C@@H]1C[C@@H](C)CN1Cc1cc(C#N)ccc1Br ZINC000492634499 1036950544 /nfs/dbraw/zinc/95/05/44/1036950544.db2.gz XGVIMUMRFCUTEM-BXUZGUMPSA-N 0 3 307.235 3.941 20 30 DHEDHN C#CCN(C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@H]1CCCc2ccccc21 ZINC001198104883 1036953951 /nfs/dbraw/zinc/95/39/51/1036953951.db2.gz VEAPCSXHLSBXAL-QIJZPMMNSA-N 0 3 309.453 3.957 20 30 DHEDHN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCc1ccc(C#N)cc1 ZINC001198174740 1036965302 /nfs/dbraw/zinc/96/53/02/1036965302.db2.gz WVSBCEFDZQVNFT-LLGFUMIMSA-N 0 3 320.436 3.951 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N([C@@H](C)[C@@H](C)CC)C2CC2)CC1 ZINC000175474430 1037051167 /nfs/dbraw/zinc/05/11/67/1037051167.db2.gz PQVKWBSAMVBNAB-HOTGVXAUSA-N 0 3 321.509 3.636 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@@H]1C ZINC000487983974 1037086500 /nfs/dbraw/zinc/08/65/00/1037086500.db2.gz XWOPQPLRXOABJZ-SUMWQHHRSA-N 0 3 306.837 3.849 20 30 DHEDHN Cc1c(CNCc2ccc(C#N)cc2)sc2nc(C)nc(C)c12 ZINC000915681059 1037135921 /nfs/dbraw/zinc/13/59/21/1037135921.db2.gz MOJUJWPDKRLZIF-UHFFFAOYSA-N 0 3 322.437 3.778 20 30 DHEDHN CCCCCCCCNCc1c(Br)c(C)nn1C ZINC000160916027 1037162772 /nfs/dbraw/zinc/16/27/72/1037162772.db2.gz NOOKIDLMFZWTHC-UHFFFAOYSA-N 0 3 316.287 3.941 20 30 DHEDHN C[C@H](NCC#Cc1ccccc1)c1ccccc1-n1cccn1 ZINC000177351105 1037228482 /nfs/dbraw/zinc/22/84/82/1037228482.db2.gz AYCBQDMODMPQHP-KRWDZBQOSA-N 0 3 301.393 3.575 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000912394357 1037373916 /nfs/dbraw/zinc/37/39/16/1037373916.db2.gz MSVOYLRIJMMZCN-HZPDHXFCSA-N 0 3 306.837 3.687 20 30 DHEDHN Cc1ccc(CNCc2ccc(-c3cnn(C)c3)s2)cc1C#N ZINC001203639190 1037431581 /nfs/dbraw/zinc/43/15/81/1037431581.db2.gz HRNCSESJRUNQGK-UHFFFAOYSA-N 0 3 322.437 3.619 20 30 DHEDHN CCN(C)c1ccccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776157202 1037618466 /nfs/dbraw/zinc/61/84/66/1037618466.db2.gz PASZCUMZMFZJKV-INIZCTEOSA-N 0 3 323.440 3.896 20 30 DHEDHN C[C@@H](NC[C@H](O)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000776165288 1037659199 /nfs/dbraw/zinc/65/91/99/1037659199.db2.gz PEZPFMSPRJMFAK-BZNIZROVSA-N 0 3 318.779 3.735 20 30 DHEDHN C[C@H](NC[C@H](O)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000776165294 1037659426 /nfs/dbraw/zinc/65/94/26/1037659426.db2.gz PEZPFMSPRJMFAK-ZBEGNZNMSA-N 0 3 318.779 3.735 20 30 DHEDHN C[C@H](N[C@H](c1cccnc1)C1CC1)c1ccc(OCC#N)cc1 ZINC000776169121 1037672733 /nfs/dbraw/zinc/67/27/33/1037672733.db2.gz DSTZEQZFQCMHCY-LIRRHRJNSA-N 0 3 307.397 3.786 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000775135551 1037685519 /nfs/dbraw/zinc/68/55/19/1037685519.db2.gz GVMLGXSHYDLTSK-OCCSQVGLSA-N 0 3 312.335 3.752 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000185041263 1037773045 /nfs/dbraw/zinc/77/30/45/1037773045.db2.gz CAPCYOLLVOIPGV-AEFFLSMTSA-N 0 3 300.446 3.542 20 30 DHEDHN CCCCCCCCCCCN1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001201630919 1037800682 /nfs/dbraw/zinc/80/06/82/1037800682.db2.gz HWZDPAVBSPKVGF-CEXWTWQISA-N 0 3 311.510 3.989 20 30 DHEDHN N#Cc1cccc(CNC[C@H](O)c2cc3ccccc3s2)c1 ZINC000151371671 1037872149 /nfs/dbraw/zinc/87/21/49/1037872149.db2.gz YZZZKFYZACIAOK-INIZCTEOSA-N 0 3 308.406 3.596 20 30 DHEDHN C=CCSCCNCc1ccc(F)cc1Br ZINC000124258319 1037889566 /nfs/dbraw/zinc/88/95/66/1037889566.db2.gz ZAGZNJSISDEOIR-UHFFFAOYSA-N 0 3 304.228 3.597 20 30 DHEDHN CCCCCCCN1CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC001201797959 1037896221 /nfs/dbraw/zinc/89/62/21/1037896221.db2.gz ITEYHHITYBYIIS-HXUWFJFHSA-N 0 3 318.505 3.962 20 30 DHEDHN CCCCCCCCN1CCCn2cnc(COCC)c2C1 ZINC001201813707 1037899179 /nfs/dbraw/zinc/89/91/79/1037899179.db2.gz IIRCUTZTRDHXIT-UHFFFAOYSA-N 0 3 307.482 3.986 20 30 DHEDHN C#C[C@H](C)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000775183597 1037944375 /nfs/dbraw/zinc/94/43/75/1037944375.db2.gz PROXLGMDNRMTHX-INIZCTEOSA-N 0 3 304.393 3.591 20 30 DHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000586790315 1037969920 /nfs/dbraw/zinc/96/99/20/1037969920.db2.gz PZDBZYUFPOMXGJ-NWDGAFQWSA-N 0 3 307.353 3.817 20 30 DHEDHN CO[C@H](C(=O)C(C#N)c1ccc2ccccc2n1)c1ccccc1 ZINC000916848169 1037990066 /nfs/dbraw/zinc/99/00/66/1037990066.db2.gz DDENHRIZVZEZIA-JXFKEZNVSA-N 0 3 316.360 3.799 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccc(Cl)s2)nc(C)n1 ZINC000916880457 1038017515 /nfs/dbraw/zinc/01/75/15/1038017515.db2.gz SFJJBDCJZJUJGM-FHMRSRPSSA-N 0 3 317.801 3.698 20 30 DHEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000916876120 1038021832 /nfs/dbraw/zinc/02/18/32/1038021832.db2.gz PGVHLDBHAXZJOJ-OWCLPIDISA-N 0 3 318.461 3.630 20 30 DHEDHN C=CCOc1cccc(CN(C)[C@@H](CCO)c2ccccc2)c1 ZINC000126884752 1038134864 /nfs/dbraw/zinc/13/48/64/1038134864.db2.gz PCOUYCRSIUSNIV-FQEVSTJZSA-N 0 3 311.425 3.807 20 30 DHEDHN N#Cc1cccc(C2(NC[C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000775430819 1038427852 /nfs/dbraw/zinc/42/78/52/1038427852.db2.gz QYMRDGJITFGSAR-QGZVFWFLSA-N 0 3 312.800 3.524 20 30 DHEDHN CCCCCCCNC(=O)N(C)CCN(C)Cc1ccccc1 ZINC001191101597 1038438159 /nfs/dbraw/zinc/43/81/59/1038438159.db2.gz OVTQQVLJAHWGKJ-UHFFFAOYSA-N 0 3 319.493 3.730 20 30 DHEDHN CCCCCCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001191112656 1038441465 /nfs/dbraw/zinc/44/14/65/1038441465.db2.gz GAHRDUWNTAPNPQ-QGZVFWFLSA-N 0 3 305.466 3.559 20 30 DHEDHN Cc1cccnc1OC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000589264396 1038454748 /nfs/dbraw/zinc/45/47/48/1038454748.db2.gz NTUFMQZEGZZXEY-UHFFFAOYSA-N 0 3 321.424 3.614 20 30 DHEDHN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000589945417 1038562770 /nfs/dbraw/zinc/56/27/70/1038562770.db2.gz CNDULHVCTUIUIH-GJZGRUSLSA-N 0 3 321.424 3.672 20 30 DHEDHN N#CC(C(=O)c1cccc(Cl)n1)c1ccc2ccccc2n1 ZINC000775531224 1038657501 /nfs/dbraw/zinc/65/75/01/1038657501.db2.gz QEARWHPQMVVJKY-LBPRGKRZSA-N 0 3 307.740 3.773 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)OCCCCO2)c1cccc(C#N)c1 ZINC000590646864 1038684114 /nfs/dbraw/zinc/68/41/14/1038684114.db2.gz NZIOQBWVTRXQGP-HNNXBMFYSA-N 0 3 322.408 3.960 20 30 DHEDHN C[C@H](c1ccccc1)[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000590715638 1038694686 /nfs/dbraw/zinc/69/46/86/1038694686.db2.gz AEVYHJXCARQBSE-BIENJYKASA-N 0 3 312.388 3.513 20 30 DHEDHN CC(C)Oc1ccccc1[C@@H](C)NC[C@H](O)c1cccc(C#N)c1 ZINC001192758906 1038701086 /nfs/dbraw/zinc/70/10/86/1038701086.db2.gz VDSLLVYJPDAASO-BEFAXECRSA-N 0 3 324.424 3.730 20 30 DHEDHN Cc1cc(F)ccc1[C@@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000775550891 1038707126 /nfs/dbraw/zinc/70/71/26/1038707126.db2.gz OTWGPMRIURVBGC-OALUTQOASA-N 0 3 312.388 3.802 20 30 DHEDHN N#CCC[C@H](NC[C@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000775554025 1038713359 /nfs/dbraw/zinc/71/33/59/1038713359.db2.gz VCFWGMKDSGJXFZ-ROUUACIJSA-N 0 3 316.351 3.633 20 30 DHEDHN CC(C)CN(Cc1cnn(C)c1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000590967959 1038732678 /nfs/dbraw/zinc/73/26/78/1038732678.db2.gz RFIBJJDVCSFMPC-UHFFFAOYSA-N 0 3 324.472 3.879 20 30 DHEDHN C[C@@H](CCC#N)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000591013282 1038743916 /nfs/dbraw/zinc/74/39/16/1038743916.db2.gz UYIKBCOVLAAFHV-AWEZNQCLSA-N 0 3 310.401 3.608 20 30 DHEDHN CN(CCOc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000057873925 1038753342 /nfs/dbraw/zinc/75/33/42/1038753342.db2.gz XYQGDESSEVGVRP-UHFFFAOYSA-N 0 3 300.789 3.722 20 30 DHEDHN N#Cc1ccc(CNCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000061079187 1038948639 /nfs/dbraw/zinc/94/86/39/1038948639.db2.gz SCBIQDSLJBHFMU-UHFFFAOYSA-N 0 3 320.314 3.789 20 30 DHEDHN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1OC1CC1 ZINC000598966667 1038959527 /nfs/dbraw/zinc/95/95/27/1038959527.db2.gz ZMEPWVCDVZHNBG-AWEZNQCLSA-N 0 3 322.408 3.959 20 30 DHEDHN COc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OC1CC1 ZINC000598955450 1038963904 /nfs/dbraw/zinc/96/39/04/1038963904.db2.gz ILFCVRZFDPTESU-AWEZNQCLSA-N 0 3 322.408 3.959 20 30 DHEDHN COc1ccc(C[C@@H]2CCCCN2Cc2ccc(C#N)o2)cc1 ZINC000593676452 1039042781 /nfs/dbraw/zinc/04/27/81/1039042781.db2.gz JMRUESDVTHFUDL-INIZCTEOSA-N 0 3 310.397 3.757 20 30 DHEDHN N#Cc1cnccc1CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000592123665 1039124412 /nfs/dbraw/zinc/12/44/12/1039124412.db2.gz XUTBDLZSLYVXCM-XUVXKRRUSA-N 0 3 303.409 3.721 20 30 DHEDHN COc1ccc([C@H](CNCCC#N)c2c[nH]c3ccccc32)cc1 ZINC000603822085 1039164119 /nfs/dbraw/zinc/16/41/19/1039164119.db2.gz SVHODOCALMGBQB-SFHVURJKSA-N 0 3 319.408 3.812 20 30 DHEDHN N#Cc1cccc(OCCN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000603836722 1039175601 /nfs/dbraw/zinc/17/56/01/1039175601.db2.gz MSOQOAYQVITJCY-UHFFFAOYSA-N 0 3 310.372 3.741 20 30 DHEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1ccc(C(=O)OC)cc1 ZINC000592391457 1039187405 /nfs/dbraw/zinc/18/74/05/1039187405.db2.gz SWMJXESVFSGTBQ-IBGZPJMESA-N 0 3 322.408 3.780 20 30 DHEDHN C=CC[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000599528860 1039197043 /nfs/dbraw/zinc/19/70/43/1039197043.db2.gz IBQQRVPVAULKEA-ZDUSSCGKSA-N 0 3 313.357 3.648 20 30 DHEDHN C=CC[C@@H]1CCN(Cc2ccc(C#N)cc2Br)C1 ZINC000599529545 1039200809 /nfs/dbraw/zinc/20/08/09/1039200809.db2.gz NSHKVANSEOJYGU-GFCCVEGCSA-N 0 3 305.219 3.719 20 30 DHEDHN N#Cc1csc(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592526588 1039223269 /nfs/dbraw/zinc/22/32/69/1039223269.db2.gz ARUIXJBMGVCGIJ-SFHVURJKSA-N 0 3 324.449 3.779 20 30 DHEDHN N#CCSCCCN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635534 1039243829 /nfs/dbraw/zinc/24/38/29/1039243829.db2.gz RUERVCQCHKZVCP-UHFFFAOYSA-N 0 3 314.376 3.710 20 30 DHEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](CC)c1ccccc1 ZINC000171480825 1039496805 /nfs/dbraw/zinc/49/68/05/1039496805.db2.gz GXTJGHMWBHRQPO-RDJZCZTQSA-N 0 3 314.429 3.586 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@@H](CC2CCCC2)C(C)C)CC1 ZINC000604745048 1039534886 /nfs/dbraw/zinc/53/48/86/1039534886.db2.gz UKFUQSFIEWXMBC-SFHVURJKSA-N 0 3 306.494 3.606 20 30 DHEDHN COc1ccc([C@@H](C)[C@H](C)NCC2(C#N)CCCC2)cc1OC ZINC000593654412 1039580810 /nfs/dbraw/zinc/58/08/10/1039580810.db2.gz BYODGIURONSXNS-GJZGRUSLSA-N 0 3 316.445 3.869 20 30 DHEDHN COc1c(C)cc(CNCc2ccc(OCC#N)cc2)cc1C ZINC000171768904 1039623146 /nfs/dbraw/zinc/62/31/46/1039623146.db2.gz NZEWNIHZHIJKCJ-UHFFFAOYSA-N 0 3 310.397 3.504 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000605742851 1039746817 /nfs/dbraw/zinc/74/68/17/1039746817.db2.gz GJFJGTQPLLIJBD-MRXNPFEDSA-N 0 3 310.441 3.915 20 30 DHEDHN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594443790 1039784942 /nfs/dbraw/zinc/78/49/42/1039784942.db2.gz UVLYATSYUOZXIV-PMPSAXMXSA-N 0 3 307.482 3.509 20 30 DHEDHN CC(C)(C#N)c1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000594493286 1039796747 /nfs/dbraw/zinc/79/67/47/1039796747.db2.gz KUGUDCLOWCNFGX-UHFFFAOYSA-N 0 3 308.381 3.506 20 30 DHEDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(C#N)c1 ZINC000594495473 1039797228 /nfs/dbraw/zinc/79/72/28/1039797228.db2.gz ACCDVAUWGKTSSV-YVEFUNNKSA-N 0 3 307.353 3.805 20 30 DHEDHN COCc1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594495113 1039798301 /nfs/dbraw/zinc/79/83/01/1039798301.db2.gz OXAOVELZGGZPRL-UHFFFAOYSA-N 0 3 308.425 3.924 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000606435155 1039874617 /nfs/dbraw/zinc/87/46/17/1039874617.db2.gz LFZMYLHQBVSXNK-ROUUACIJSA-N 0 3 314.473 3.597 20 30 DHEDHN N#CC1(c2ccc(CN[C@@H](CCCO)c3ccccc3)cc2)CC1 ZINC000594921272 1039926284 /nfs/dbraw/zinc/92/62/84/1039926284.db2.gz KDVZYRSOPOAWLI-FQEVSTJZSA-N 0 3 320.436 3.845 20 30 DHEDHN C[C@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(C#N)c1 ZINC000594930352 1039932117 /nfs/dbraw/zinc/93/21/17/1039932117.db2.gz VIEKTOFRKCFDOG-MGPUTAFESA-N 0 3 322.408 3.577 20 30 DHEDHN Cn1ncc(C2CCC2)c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000594949569 1039960151 /nfs/dbraw/zinc/96/01/51/1039960151.db2.gz FVGVTPIHZTYAQS-IBGZPJMESA-N 0 3 320.440 3.726 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)cc1OC(F)F)[C@H]1CCCCO1 ZINC000594042143 1040010922 /nfs/dbraw/zinc/01/09/22/1040010922.db2.gz GWJFLNQYPNMFCU-HUUCEWRRSA-N 0 3 324.371 3.597 20 30 DHEDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC1(C#N)CCCCC1 ZINC000595090227 1040076357 /nfs/dbraw/zinc/07/63/57/1040076357.db2.gz GETWJBIUSYXUIZ-HNNXBMFYSA-N 0 3 315.417 3.980 20 30 DHEDHN CC[C@@H](CC(F)F)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000595473617 1040150157 /nfs/dbraw/zinc/15/01/57/1040150157.db2.gz YGFOWWYPTALGDR-AWEZNQCLSA-N 0 3 307.388 3.620 20 30 DHEDHN CC(C)(CO)[C@@H](NCCC1(C#N)CCCCC1)c1cccnc1 ZINC000595500094 1040155074 /nfs/dbraw/zinc/15/50/74/1040155074.db2.gz PYRLCHDREHETFD-KRWDZBQOSA-N 0 3 315.461 3.595 20 30 DHEDHN N#CC[C@@H]1CCCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000595617382 1040193892 /nfs/dbraw/zinc/19/38/92/1040193892.db2.gz ZKNDKHXDXLWGAD-KRWDZBQOSA-N 0 3 321.424 3.786 20 30 DHEDHN N#CC[C@H]1CCCN(Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000595612520 1040208104 /nfs/dbraw/zinc/20/81/04/1040208104.db2.gz XUCCPDGOTSNRRX-CYBMUJFWSA-N 0 3 312.335 3.753 20 30 DHEDHN C=CCC1(NCc2nnc(-c3ccc(C#N)cc3)o2)CCCC1 ZINC000595780278 1040253454 /nfs/dbraw/zinc/25/34/54/1040253454.db2.gz OZLGWYOUTSPCRA-UHFFFAOYSA-N 0 3 308.385 3.587 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC(c2ccon2)CC1 ZINC000595828353 1040267560 /nfs/dbraw/zinc/26/75/60/1040267560.db2.gz LHGGQTBBFJODQH-UHFFFAOYSA-N 0 3 309.413 3.855 20 30 DHEDHN N#Cc1cccc(-c2nnc(CN(CCC3CC3)CC3CC3)o2)c1 ZINC000595871002 1040277352 /nfs/dbraw/zinc/27/73/52/1040277352.db2.gz JBBVHYUGJNMSHV-UHFFFAOYSA-N 0 3 322.412 3.620 20 30 DHEDHN CCC(CC)(CNC[C@@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000596052277 1040291254 /nfs/dbraw/zinc/29/12/54/1040291254.db2.gz VVEYYKJKNYXLSR-OAHLLOKOSA-N 0 3 301.409 3.917 20 30 DHEDHN N#CC(C(=O)CC1CCC1)c1nc2ccccc2n1C(F)F ZINC000174000949 1040480462 /nfs/dbraw/zinc/48/04/62/1040480462.db2.gz OXWCSHFDDHGOPC-NSHDSACASA-N 0 3 303.312 3.798 20 30 DHEDHN CC[C@H](Cc1ccc(Br)cc1)NCC(C)(C)C#N ZINC000597082438 1040646760 /nfs/dbraw/zinc/64/67/60/1040646760.db2.gz JXSABAVKCFKEEW-CQSZACIVSA-N 0 3 309.251 3.910 20 30 DHEDHN CC(C)(C)OC1CC(CCNCc2cccc(F)c2C#N)C1 ZINC000602017834 1040866360 /nfs/dbraw/zinc/86/63/60/1040866360.db2.gz RKQJQHDQZOUGQV-UHFFFAOYSA-N 0 3 304.409 3.771 20 30 DHEDHN C[C@H](CCC#N)CN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000602488027 1041056478 /nfs/dbraw/zinc/05/64/78/1041056478.db2.gz YNCMYQDGCYTSEQ-OPRDCNLKSA-N 0 3 302.262 3.599 20 30 DHEDHN C[C@@H](N[C@@H](c1nnc[nH]1)C1CCCCC1)c1cccc(C#N)c1 ZINC000602566180 1041100483 /nfs/dbraw/zinc/10/04/83/1041100483.db2.gz IYJGSOXQDXITLK-CXAGYDPISA-N 0 3 309.417 3.649 20 30 DHEDHN Cc1cccc2c1OCC[C@H]2N[C@@H](C)CC1(C#N)CCOCC1 ZINC000602643020 1041129761 /nfs/dbraw/zinc/12/97/61/1041129761.db2.gz KUQZVNWIZNONOQ-DOTOQJQBSA-N 0 3 314.429 3.507 20 30 DHEDHN COc1ccc(CN(Cc2cccc(C#N)n2)C(C)(C)C)cc1 ZINC000602668169 1041150329 /nfs/dbraw/zinc/15/03/29/1041150329.db2.gz BTJGTSNVNMIDAV-UHFFFAOYSA-N 0 3 309.413 3.763 20 30 DHEDHN CC(C)(c1ccc(F)cc1)C1(NCc2cccc(C#N)n2)CC1 ZINC000602681084 1041162343 /nfs/dbraw/zinc/16/23/43/1041162343.db2.gz JJAHCYGVOPPGKT-UHFFFAOYSA-N 0 3 309.388 3.692 20 30 DHEDHN C[C@@H](CCC#N)CN1CC(Cc2ccccc2Br)C1 ZINC000602731808 1041184658 /nfs/dbraw/zinc/18/46/58/1041184658.db2.gz YCXIMDZUTNLEAX-ZDUSSCGKSA-N 0 3 321.262 3.863 20 30 DHEDHN N#CCC1(CNC2(c3ccc(Br)cc3)CC2)CC1 ZINC000602802647 1041225065 /nfs/dbraw/zinc/22/50/65/1041225065.db2.gz SGQAFIYQEQOQCW-UHFFFAOYSA-N 0 3 305.219 3.722 20 30 DHEDHN COc1cc([C@@H](C)NCC2(CC#N)CC2)ccc1OC(C)C ZINC000602802220 1041227149 /nfs/dbraw/zinc/22/71/49/1041227149.db2.gz PVAQFVZDPISVQT-CQSZACIVSA-N 0 3 302.418 3.827 20 30 DHEDHN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000602848107 1041261372 /nfs/dbraw/zinc/26/13/72/1041261372.db2.gz YSHXSIVNGFDVRQ-HNNXBMFYSA-N 0 3 306.450 3.657 20 30 DHEDHN C[C@H](CC#N)NCCCCOc1cccc(C(F)(F)F)c1 ZINC000602861221 1041266797 /nfs/dbraw/zinc/26/67/97/1041266797.db2.gz GDJNXNGSJLNDBA-GFCCVEGCSA-N 0 3 300.324 3.756 20 30 DHEDHN N#CCC1(CN2CCC(c3nc4c(s3)CCCC4)CC2)CC1 ZINC000602845577 1041274839 /nfs/dbraw/zinc/27/48/39/1041274839.db2.gz KQFCDQKURBPOCQ-UHFFFAOYSA-N 0 3 315.486 3.895 20 30 DHEDHN Cc1cc(F)ccc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909114 1041292773 /nfs/dbraw/zinc/29/27/73/1041292773.db2.gz YNLIDDMKDQQARO-UHFFFAOYSA-N 0 3 309.388 3.780 20 30 DHEDHN CCCCN(Cc1ccccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598591691 1041351970 /nfs/dbraw/zinc/35/19/70/1041351970.db2.gz YSBCGHKWSYDOBU-MRXNPFEDSA-N 0 3 306.425 3.729 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CNC(C)(C)c1cccc(Cl)c1F ZINC000598608806 1041368622 /nfs/dbraw/zinc/36/86/22/1041368622.db2.gz PYRMCRUWAVOUGX-LLVKDONJSA-N 0 3 312.816 3.605 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)c(C)cc2Cl)CC1 ZINC000180722890 334955987 /nfs/dbraw/zinc/95/59/87/334955987.db2.gz GDOHASNCCFBCMH-UHFFFAOYSA-N 0 3 320.864 3.727 20 30 DHEDHN C=CC[C@H](CC)N[C@@H](C)c1cc(Br)ncc1F ZINC000281685026 334987245 /nfs/dbraw/zinc/98/72/45/334987245.db2.gz RTHGVBZXVKQSCQ-UWVGGRQHSA-N 0 3 301.203 3.989 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)s1 ZINC000563821288 335029443 /nfs/dbraw/zinc/02/94/43/335029443.db2.gz QGVZLCLWBRPXOE-GVDBMIGSSA-N 0 3 304.459 3.525 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000442708623 335034478 /nfs/dbraw/zinc/03/44/78/335034478.db2.gz JXKQRXFSWDIZOE-CJNGLKHVSA-N 0 3 311.360 3.795 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)N(C)c1ccccc1 ZINC000425542964 335036263 /nfs/dbraw/zinc/03/62/63/335036263.db2.gz YYDHRPKTSDUISM-MRXNPFEDSA-N 0 3 321.424 3.604 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000287652188 335048803 /nfs/dbraw/zinc/04/88/03/335048803.db2.gz VAPRQYONUIRWHE-BBWFWOEESA-N 0 3 303.450 3.602 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000442718330 335049092 /nfs/dbraw/zinc/04/90/92/335049092.db2.gz LLECBTPBZLEVQF-CRAIPNDOSA-N 0 3 319.408 3.721 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NCc2cccnc2Oc2cccc(F)c2)C1 ZINC000442718382 335050010 /nfs/dbraw/zinc/05/00/10/335050010.db2.gz OQZHLXBURLPDGN-CZUORRHYSA-N 0 3 311.360 3.795 20 30 DHEDHN CC(=O)Nc1ccn([C@@H]2CCN([C@@H](C)c3cccc(C)c3)C2)n1 ZINC000328621214 257264676 /nfs/dbraw/zinc/26/46/76/257264676.db2.gz HORRBARQLKWSJD-WMLDXEAASA-N 0 3 312.417 3.807 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1 ZINC000274225516 130220279 /nfs/dbraw/zinc/22/02/79/130220279.db2.gz ZSARGPXLKWIKAO-PKOBYXMFSA-N 0 3 310.372 3.707 20 30 DHEDHN C[C@H](NCC[C@](C)(O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000275125699 130293643 /nfs/dbraw/zinc/29/36/43/130293643.db2.gz MIJKQSOSODROOV-LIRRHRJNSA-N 0 3 312.388 3.646 20 30 DHEDHN CC1(C)CN(C[C@H](O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000287122856 131265083 /nfs/dbraw/zinc/26/50/83/131265083.db2.gz ZINMNTMZYFYULJ-RDJZCZTQSA-N 0 3 312.438 3.736 20 30 DHEDHN N#Cc1csc(CNC2(CCOCc3ccccc3)CC2)c1 ZINC000340602355 132063230 /nfs/dbraw/zinc/06/32/30/132063230.db2.gz ZCXIODXKXNTEGZ-UHFFFAOYSA-N 0 3 312.438 3.849 20 30 DHEDHN C=CCC[C@H](NCc1cnc([C@@H](C)O)s1)c1ccccc1 ZINC000290546793 335072477 /nfs/dbraw/zinc/07/24/77/335072477.db2.gz YXCADGXOFOYGDL-CJNGLKHVSA-N 0 3 302.443 3.994 20 30 DHEDHN C=CCC[C@@H](NCc1cnc([C@H](C)O)s1)c1ccccc1 ZINC000290546798 335072588 /nfs/dbraw/zinc/07/25/88/335072588.db2.gz YXCADGXOFOYGDL-XJKSGUPXSA-N 0 3 302.443 3.994 20 30 DHEDHN C=CCN(CC=C)[C@H](CNc1ccnc(C(C)C)n1)C(C)C ZINC000521239356 434876725 /nfs/dbraw/zinc/87/67/25/434876725.db2.gz IMOBSEMPLADULU-MRXNPFEDSA-N 0 3 302.466 3.711 20 30 DHEDHN C=C(C)CN1CCC(Nc2ccnc(-c3ccccc3)n2)CC1 ZINC000521575062 434889084 /nfs/dbraw/zinc/88/90/84/434889084.db2.gz MYTTUNUSTSBWLG-UHFFFAOYSA-N 0 3 308.429 3.596 20 30 DHEDHN Cc1ccc(NC[C@@H]2CCCN(Cc3ccccc3)C2)nc1C#N ZINC000615697666 435361930 /nfs/dbraw/zinc/36/19/30/435361930.db2.gz XVQWIIJENXDAMZ-SFHVURJKSA-N 0 3 320.440 3.586 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000533505490 331552504 /nfs/dbraw/zinc/55/25/04/331552504.db2.gz MSRFFSVXUYMPNX-IBGZPJMESA-N 0 3 318.436 3.681 20 30 DHEDHN CC1(C)C[C@@H](NCc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000556602191 331719779 /nfs/dbraw/zinc/71/97/79/331719779.db2.gz UIYPUIDQDQKTMV-GOSISDBHSA-N 0 3 316.408 3.718 20 30 DHEDHN COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C#N)c(F)c1 ZINC000404577691 331724142 /nfs/dbraw/zinc/72/41/42/331724142.db2.gz STWNNBFKQMGEDO-IBGZPJMESA-N 0 3 310.372 3.873 20 30 DHEDHN C[C@H](NC1CCC(C)(C#N)CC1)c1ccc(Br)cn1 ZINC000449301827 332016310 /nfs/dbraw/zinc/01/63/10/332016310.db2.gz SIUDPYRXCITEKE-ZOODHJKOSA-N 0 3 322.250 3.967 20 30 DHEDHN C=CCN1CC[C@H](N2CCCC[C@@H]2c2cccc(C)c2C)C1=O ZINC000410387392 332122542 /nfs/dbraw/zinc/12/25/42/332122542.db2.gz NGCFEQCCDJZDNG-MOPGFXCFSA-N 0 3 312.457 3.617 20 30 DHEDHN C=C(C)CN(C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000181050022 332173345 /nfs/dbraw/zinc/17/33/45/332173345.db2.gz KNHVNNRKXQUVEL-UHFFFAOYSA-N 0 3 324.424 3.955 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NC/C=C\c2ccc(Br)cc2)C1 ZINC000449450375 332203660 /nfs/dbraw/zinc/20/36/60/332203660.db2.gz BGXYCLMYHURMDA-HYTVEURUSA-N 0 3 305.219 3.744 20 30 DHEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1ccc(C#N)o1 ZINC000367524648 332257383 /nfs/dbraw/zinc/25/73/83/332257383.db2.gz CKXQTADHVWYVLD-KFKAGJAMSA-N 0 3 310.397 3.592 20 30 DHEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1ccc(C#N)o1 ZINC000367524651 332257947 /nfs/dbraw/zinc/25/79/47/332257947.db2.gz CKXQTADHVWYVLD-ZYSHUDEJSA-N 0 3 310.397 3.592 20 30 DHEDHN Cc1cccc([C@H](C)NCc2cnc3ccc(C#N)cn23)c1C ZINC000560255164 332323650 /nfs/dbraw/zinc/32/36/50/332323650.db2.gz ICMUUZKFPDBHOS-HNNXBMFYSA-N 0 3 304.397 3.674 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000152803961 332329511 /nfs/dbraw/zinc/32/95/11/332329511.db2.gz WEPIUCYRCQHFDB-WBVHZDCISA-N 0 3 323.358 3.558 20 30 DHEDHN COC(=O)CC[C@H](CC1CCCCC1)NCc1ccc(C#N)o1 ZINC000564985406 332375561 /nfs/dbraw/zinc/37/55/61/332375561.db2.gz IOGJDPGKPLIHAE-OAHLLOKOSA-N 0 3 318.417 3.533 20 30 DHEDHN Cc1cc(CN[C@H](c2cccs2)C(C)(C)CO)ccc1C#N ZINC000583409847 332391958 /nfs/dbraw/zinc/39/19/58/332391958.db2.gz GRMODAHVDDVGOW-QGZVFWFLSA-N 0 3 314.454 3.778 20 30 DHEDHN N#CCCCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000124918813 332441527 /nfs/dbraw/zinc/44/15/27/332441527.db2.gz ZJLKXGYHCCZADJ-UHFFFAOYSA-N 0 3 311.351 3.521 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2cc3cc(Br)ccc3o2)C1 ZINC000566498482 332458519 /nfs/dbraw/zinc/45/85/19/332458519.db2.gz CJBRDURPJYMUMB-GXFFZTMASA-N 0 3 319.202 3.977 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2cccc(COC)c2)cc1 ZINC000158527149 332574892 /nfs/dbraw/zinc/57/48/92/332574892.db2.gz LFSDLEANILNSKZ-INIZCTEOSA-N 0 3 309.409 3.696 20 30 DHEDHN Cc1sc(NC(=O)CNC(C)(C)CC(C)(C)C)c(C#N)c1C ZINC000177033906 332967811 /nfs/dbraw/zinc/96/78/11/332967811.db2.gz FZDVLHWCTVVYNB-UHFFFAOYSA-N 0 3 321.490 3.980 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](C)CC(F)(F)F)cc1OC ZINC000361737673 333007990 /nfs/dbraw/zinc/00/79/90/333007990.db2.gz ZNHJHNXGCMKOBL-NSHDSACASA-N 0 3 303.324 3.691 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424994173 335116713 /nfs/dbraw/zinc/11/67/13/335116713.db2.gz HVLUQWKSGIQJAL-QRFRQXIXSA-N 0 3 322.383 3.512 20 30 DHEDHN COCc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000174356908 333085486 /nfs/dbraw/zinc/08/54/86/333085486.db2.gz URYGMQUPDVWAIP-OAHLLOKOSA-N 0 3 310.397 3.586 20 30 DHEDHN Cc1c([C@@H](C)NCCCCC#N)nnn1-c1cccc(Cl)c1 ZINC000178640473 333141691 /nfs/dbraw/zinc/14/16/91/333141691.db2.gz GYHOCAQQFNPPCO-GFCCVEGCSA-N 0 3 317.824 3.574 20 30 DHEDHN C[C@H](NCCCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182567056 333178968 /nfs/dbraw/zinc/17/89/68/333178968.db2.gz PPSDBGLAIGKTNE-HNNXBMFYSA-N 0 3 307.397 3.893 20 30 DHEDHN CN(C)Cc1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000182908231 333181092 /nfs/dbraw/zinc/18/10/92/333181092.db2.gz VTQFEVASGRGPRL-UHFFFAOYSA-N 0 3 319.408 3.556 20 30 DHEDHN C[C@@H](c1cccnc1)N(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000183729773 333187285 /nfs/dbraw/zinc/18/72/85/333187285.db2.gz OVPKPTPUZKVZSP-INIZCTEOSA-N 0 3 308.429 3.624 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(-n2ccnc2)cc1 ZINC000582085799 333206161 /nfs/dbraw/zinc/20/61/61/333206161.db2.gz WRCYLUHRWFNERL-MRXNPFEDSA-N 0 3 316.408 3.789 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(Br)c(F)c2)C1 ZINC000185815630 333214471 /nfs/dbraw/zinc/21/44/71/333214471.db2.gz ZJIGHFMMLAYVFL-PWSUYJOCSA-N 0 3 311.198 3.760 20 30 DHEDHN Cc1cccc(CCN2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000563061534 333227389 /nfs/dbraw/zinc/22/73/89/333227389.db2.gz LMUNOSAHIGLMSN-UHFFFAOYSA-N 0 3 303.409 3.594 20 30 DHEDHN C=CC[C@@H](C)NCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000525759612 333239196 /nfs/dbraw/zinc/23/91/96/333239196.db2.gz BODDVZXGPFOSPS-CZUORRHYSA-N 0 3 309.837 3.952 20 30 DHEDHN C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000364180517 333268075 /nfs/dbraw/zinc/26/80/75/333268075.db2.gz IFPFRKHSWDZUPX-MOPGFXCFSA-N 0 3 312.457 3.608 20 30 DHEDHN CCOc1c(Cl)cc(CN[C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000192701541 333291804 /nfs/dbraw/zinc/29/18/04/333291804.db2.gz MSEQEKKSJKMBHN-JSGCOSHPSA-N 0 3 322.836 3.919 20 30 DHEDHN C=CC1CCN([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000111257588 333328316 /nfs/dbraw/zinc/32/83/16/333328316.db2.gz FDMBPKMNKQLHAH-GDBMZVCRSA-N 0 3 318.486 3.698 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CCO3)n1 ZINC000531331251 333344239 /nfs/dbraw/zinc/34/42/39/333344239.db2.gz LCIWDWGIPZLAEN-ZDUSSCGKSA-N 0 3 312.394 3.691 20 30 DHEDHN CC(C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(F)(F)F ZINC000525796431 333396599 /nfs/dbraw/zinc/39/65/99/333396599.db2.gz NXFUTKMMHUISGG-YUMQZZPRSA-N 0 3 316.348 3.881 20 30 DHEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000319693123 333397401 /nfs/dbraw/zinc/39/74/01/333397401.db2.gz LJBVUZJINIDIPZ-AEFFLSMTSA-N 0 3 311.429 3.541 20 30 DHEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(SC(C)C)cc2)C1=O ZINC000337188806 333443109 /nfs/dbraw/zinc/44/31/09/333443109.db2.gz RAXBEFYMORYTSE-WMLDXEAASA-N 0 3 318.486 3.625 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296138191 335141594 /nfs/dbraw/zinc/14/15/94/335141594.db2.gz UXCORXVYUFAHAJ-HNNXBMFYSA-N 0 3 324.380 3.848 20 30 DHEDHN CCCOc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000339070605 333508032 /nfs/dbraw/zinc/50/80/32/333508032.db2.gz PJEAKJAPSQTCSJ-OFQRWUPVSA-N 0 3 302.418 3.827 20 30 DHEDHN CC(C)OCCOC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411806025 333707545 /nfs/dbraw/zinc/70/75/45/333707545.db2.gz IGLLCJYHYVRFKR-UHFFFAOYSA-N 0 3 322.493 3.757 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000186146247 335156602 /nfs/dbraw/zinc/15/66/02/335156602.db2.gz XFHWJAHNFDXTOU-HNNXBMFYSA-N 0 3 315.461 3.734 20 30 DHEDHN C=CCCN(C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000343449038 335165494 /nfs/dbraw/zinc/16/54/94/335165494.db2.gz VEILWLDPDMWDMW-UHFFFAOYSA-N 0 3 318.424 3.942 20 30 DHEDHN CC(C)[C@@H](NCCC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000271990662 334029347 /nfs/dbraw/zinc/02/93/47/334029347.db2.gz DYAJUXFOGKRQEM-QGZVFWFLSA-N 0 3 302.418 3.684 20 30 DHEDHN COc1cccc2c1CC[C@@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000272167440 334031251 /nfs/dbraw/zinc/03/12/51/334031251.db2.gz CSGIAXWMDRIKGF-SFHVURJKSA-N 0 3 304.393 3.833 20 30 DHEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(OCC#N)cc1 ZINC000272300280 334032961 /nfs/dbraw/zinc/03/29/61/334032961.db2.gz RBWZZBDQGMCDIC-HNNXBMFYSA-N 0 3 317.392 3.801 20 30 DHEDHN COc1ccc(C[C@@H](NCCCC#N)c2ccc(OC)cc2)cc1 ZINC000272538995 334037050 /nfs/dbraw/zinc/03/70/50/334037050.db2.gz OPNJHVCAMPJOFV-HXUWFJFHSA-N 0 3 324.424 3.881 20 30 DHEDHN N#CCCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000273086682 334043123 /nfs/dbraw/zinc/04/31/23/334043123.db2.gz RTFWTSIWIDNFBZ-UHFFFAOYSA-N 0 3 301.371 3.717 20 30 DHEDHN C[C@H](NCCCC#N)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000273173997 334043859 /nfs/dbraw/zinc/04/38/59/334043859.db2.gz COUDGSDJRBKRQT-HOCLYGCPSA-N 0 3 320.408 3.728 20 30 DHEDHN N#CCCCN[C@@H]1CCSc2ccc(Br)cc21 ZINC000273252466 334044662 /nfs/dbraw/zinc/04/46/62/334044662.db2.gz LFINADJSKMNOIV-GFCCVEGCSA-N 0 3 311.248 3.879 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCOc3c(Br)cccc32)C1 ZINC000274618388 334064135 /nfs/dbraw/zinc/06/41/35/334064135.db2.gz LSMOMBVYSWATQX-GYSYKLTISA-N 0 3 321.218 3.555 20 30 DHEDHN CCOc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1OCC ZINC000274648308 334064453 /nfs/dbraw/zinc/06/44/53/334064453.db2.gz SHQWFDORIMYOFE-OFQRWUPVSA-N 0 3 302.418 3.827 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000278503922 334097163 /nfs/dbraw/zinc/09/71/63/334097163.db2.gz AQUAOSDCGLTMIT-XWIAVFTESA-N 0 3 318.848 3.778 20 30 DHEDHN N#C[C@H]1CC[C@@H](N2CCN(Cc3cccc4ccccc43)CC2)C1 ZINC000278753006 334100763 /nfs/dbraw/zinc/10/07/63/334100763.db2.gz XEWIXJWZELDGCG-FXAWDEMLSA-N 0 3 319.452 3.650 20 30 DHEDHN CC(C)C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280228161 334115613 /nfs/dbraw/zinc/11/56/13/334115613.db2.gz VYRMORAXNYLAOW-OALUTQOASA-N 0 3 323.440 3.525 20 30 DHEDHN N#CC1CCC(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000281824966 334128647 /nfs/dbraw/zinc/12/86/47/334128647.db2.gz XGYSPXSEPAMNCQ-UHFFFAOYSA-N 0 3 307.781 3.668 20 30 DHEDHN CCCCCCC[C@H](C)CN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000283856923 334141676 /nfs/dbraw/zinc/14/16/76/334141676.db2.gz BLHMIMBMSZQEQG-DOTOQJQBSA-N 0 3 315.465 3.875 20 30 DHEDHN N#CC1(CCCN2CCC=C(c3ccccc3)C2)CCOCC1 ZINC000284681536 334144266 /nfs/dbraw/zinc/14/42/66/334144266.db2.gz HBGIHFYRAWTFKI-UHFFFAOYSA-N 0 3 310.441 3.876 20 30 DHEDHN COc1ccc(-c2ccncc2)cc1CNCC1(CC#N)CC1 ZINC000366648573 334157376 /nfs/dbraw/zinc/15/73/76/334157376.db2.gz UKFAFGZYPULOPB-UHFFFAOYSA-N 0 3 307.397 3.541 20 30 DHEDHN C#C[C@H](NCc1cn(CCC#N)nc1-c1ccccc1)C(C)(C)C ZINC000290127697 334171029 /nfs/dbraw/zinc/17/10/29/334171029.db2.gz JKCDCYHPULXBHI-SFHVURJKSA-N 0 3 320.440 3.601 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3noc4cc(F)ccc43)CC2)C1 ZINC000293542538 334198983 /nfs/dbraw/zinc/19/89/83/334198983.db2.gz KJXSUMWJORIHBG-IUODEOHRSA-N 0 3 313.376 3.839 20 30 DHEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@@H](CCCC#N)c1ccccc1 ZINC000340444124 334202960 /nfs/dbraw/zinc/20/29/60/334202960.db2.gz CDVKJJKNZJISCX-ROUUACIJSA-N 0 3 308.429 3.822 20 30 DHEDHN COc1ccncc1CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000294388941 334208733 /nfs/dbraw/zinc/20/87/33/334208733.db2.gz RVNSSEFRELJNSD-UHFFFAOYSA-N 0 3 321.424 3.584 20 30 DHEDHN C=C(C)[C@H](NC[C@H](O)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000187784817 334274750 /nfs/dbraw/zinc/27/47/50/334274750.db2.gz BCONYYLCXRSQPA-APWZRJJASA-N 0 3 317.379 3.775 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCCN(c2ccccc2)CC1 ZINC000187731063 334270020 /nfs/dbraw/zinc/27/00/20/334270020.db2.gz MVYOGWUQIZLOHJ-QGZVFWFLSA-N 0 3 305.425 3.832 20 30 DHEDHN CC(C)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000110791077 334295290 /nfs/dbraw/zinc/29/52/90/334295290.db2.gz XELWAIQTVFZNLP-UHFFFAOYSA-N 0 3 319.836 3.803 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2cccc(-c3ccoc3)c2)nc(C)n1 ZINC000340748625 334384468 /nfs/dbraw/zinc/38/44/68/334384468.db2.gz GDWFDPPFAOWMPJ-KRWDZBQOSA-N 0 3 317.348 3.844 20 30 DHEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000341220825 334419211 /nfs/dbraw/zinc/41/92/11/334419211.db2.gz SPNZZVZTHNMGQU-KBXCAEBGSA-N 0 3 307.397 3.626 20 30 DHEDHN Cc1cc(CN2CCC(F)(c3cccnc3)CC2)ccc1C#N ZINC000342144517 334516987 /nfs/dbraw/zinc/51/69/87/334516987.db2.gz AYZJIQKWRLEWJC-UHFFFAOYSA-N 0 3 309.388 3.723 20 30 DHEDHN C=CCOc1ccc(CNCCc2nc(C)oc2C)cc1Cl ZINC000535386555 334726416 /nfs/dbraw/zinc/72/64/16/334726416.db2.gz WVQYKBISIGPRGA-UHFFFAOYSA-N 0 3 320.820 3.842 20 30 DHEDHN CC1(C)C[C@@H](NCc2ccc(C#N)cc2OC(F)F)C(C)(C)O1 ZINC000331292544 334855094 /nfs/dbraw/zinc/85/50/94/334855094.db2.gz LIBLFKLJPKDADM-CQSZACIVSA-N 0 3 324.371 3.595 20 30 DHEDHN CC1(C)C[C@H](NCc2ccc(C#N)cc2OC(F)F)C(C)(C)O1 ZINC000331292533 334855142 /nfs/dbraw/zinc/85/51/42/334855142.db2.gz LIBLFKLJPKDADM-AWEZNQCLSA-N 0 3 324.371 3.595 20 30 DHEDHN COC(=O)[C@H](CCN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000425463579 334919199 /nfs/dbraw/zinc/91/91/99/334919199.db2.gz WKAUIMZHVCQMIN-DNVCBOLYSA-N 0 3 322.408 3.556 20 30 DHEDHN N#CCc1ccc(CN2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000343699806 335189161 /nfs/dbraw/zinc/18/91/61/335189161.db2.gz VNLRDCASFFMWBK-LJQANCHMSA-N 0 3 316.408 3.549 20 30 DHEDHN COc1cc(CN(Cc2ccc(CC#N)cc2)C2CC2)ccc1O ZINC000343752253 335190704 /nfs/dbraw/zinc/19/07/04/335190704.db2.gz QQGSXCUYPWPZRH-UHFFFAOYSA-N 0 3 322.408 3.631 20 30 DHEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000343824952 335195628 /nfs/dbraw/zinc/19/56/28/335195628.db2.gz QAOQOLRDPGBINY-GOSISDBHSA-N 0 3 309.369 3.902 20 30 DHEDHN C[C@H](NCc1ccccc1Cn1ccnc1)c1ccc(C#N)cc1 ZINC000344030311 335210494 /nfs/dbraw/zinc/21/04/94/335210494.db2.gz DTBBHVUNKAZWKJ-INIZCTEOSA-N 0 3 316.408 3.654 20 30 DHEDHN C[C@@H](NCc1ccccc1Cn1ccnc1)c1ccc(C#N)cc1 ZINC000344030312 335210516 /nfs/dbraw/zinc/21/05/16/335210516.db2.gz DTBBHVUNKAZWKJ-MRXNPFEDSA-N 0 3 316.408 3.654 20 30 DHEDHN CN(C)c1ccccc1CN(C)CCCOc1cccc(C#N)c1 ZINC000344066891 335214775 /nfs/dbraw/zinc/21/47/75/335214775.db2.gz IBSXDOSDGCKXQA-UHFFFAOYSA-N 0 3 323.440 3.525 20 30 DHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000344222274 335229752 /nfs/dbraw/zinc/22/97/52/335229752.db2.gz WSFWWRZUZHHKSR-WMLDXEAASA-N 0 3 311.454 3.545 20 30 DHEDHN N#CCCCNCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000344347601 335243080 /nfs/dbraw/zinc/24/30/80/335243080.db2.gz FSVBKWKYJRKBMI-UHFFFAOYSA-N 0 3 322.437 3.994 20 30 DHEDHN N#Cc1ccc(CNCCc2c[nH]c3ccc(F)cc23)c(F)c1 ZINC000344428812 335247842 /nfs/dbraw/zinc/24/78/42/335247842.db2.gz UQAKSBTWZGFGJC-UHFFFAOYSA-N 0 3 311.335 3.650 20 30 DHEDHN CCCCCOc1ccc([C@H](C)NC(=O)C(C)C#N)cc1OC ZINC000345853717 335355723 /nfs/dbraw/zinc/35/57/23/335355723.db2.gz VIGDNMZNYXEKCI-KBPBESRZSA-N 0 3 318.417 3.601 20 30 DHEDHN C[C@H](N[C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(C#N)c(F)c1 ZINC000346149331 335382124 /nfs/dbraw/zinc/38/21/24/335382124.db2.gz DFISKSCEFIKJEA-VHSSKADRSA-N 0 3 312.392 3.728 20 30 DHEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C12CCC2 ZINC000346203851 335390213 /nfs/dbraw/zinc/39/02/13/335390213.db2.gz RVEZNXRJTAVKPC-JCURWCKSSA-N 0 3 302.393 3.696 20 30 DHEDHN CC1=C(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCC1 ZINC000328612693 335395337 /nfs/dbraw/zinc/39/53/37/335395337.db2.gz PSGKJCWEOQSYPO-UHFFFAOYSA-N 0 3 314.429 3.732 20 30 DHEDHN Cn1cc([C@@H](NCC(C)(C)CCC#N)c2cccc(F)c2)cn1 ZINC000348208289 335565987 /nfs/dbraw/zinc/56/59/87/335565987.db2.gz SNOPLOZIXLNXLZ-KRWDZBQOSA-N 0 3 314.408 3.568 20 30 DHEDHN C=CCC[C@H](C)N[C@@H](CCO)c1ccccc1Br ZINC000349724055 335694292 /nfs/dbraw/zinc/69/42/92/335694292.db2.gz SRCUIPZJZRJMSS-WFASDCNBSA-N 0 3 312.251 3.817 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000349853285 335704198 /nfs/dbraw/zinc/70/41/98/335704198.db2.gz RPJPDNJHMFINHS-DLBZAZTESA-N 0 3 316.408 3.807 20 30 DHEDHN CC(C)c1ccc(O[C@@H](C)CNCc2cc(C#N)n(C)c2)cc1 ZINC000519839071 335899195 /nfs/dbraw/zinc/89/91/95/335899195.db2.gz GEDQQTNHPAXZGM-HNNXBMFYSA-N 0 3 311.429 3.577 20 30 DHEDHN C=CCOc1ccccc1CNC[C@H](C)N(C)c1ccccc1 ZINC000520203100 335938175 /nfs/dbraw/zinc/93/81/75/335938175.db2.gz HRLNBHCWUKKSHN-KRWDZBQOSA-N 0 3 310.441 3.866 20 30 DHEDHN Cc1ccc(NC(=O)[C@@H](C)N2CCCCCC2)c2n[nH]cc21 ZINC000329883010 336092240 /nfs/dbraw/zinc/09/22/40/336092240.db2.gz QOSWYXBLPQWGGW-CYBMUJFWSA-N 0 3 300.406 3.724 20 30 DHEDHN CC(C)c1ccccc1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000330205623 336124092 /nfs/dbraw/zinc/12/40/92/336124092.db2.gz CPYSRPVXTVYQOA-DOPJRALCSA-N 0 3 316.445 3.944 20 30 DHEDHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330258446 336130657 /nfs/dbraw/zinc/13/06/57/336130657.db2.gz MKGPUBTYFYTGLP-SGIREYDYSA-N 0 3 322.836 3.782 20 30 DHEDHN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000330258443 336130702 /nfs/dbraw/zinc/13/07/02/336130702.db2.gz MKGPUBTYFYTGLP-HZUKXOBISA-N 0 3 322.836 3.782 20 30 DHEDHN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330271778 336132187 /nfs/dbraw/zinc/13/21/87/336132187.db2.gz WNCHIASFGHIGTQ-LBTBCDHLSA-N 0 3 316.445 3.558 20 30 DHEDHN O=C(Nc1ccccc1-c1cn[nH]c1)C1CCN(C2CC2)CC1 ZINC000330310806 336151675 /nfs/dbraw/zinc/15/16/75/336151675.db2.gz NOCNAMCULIJBDN-UHFFFAOYSA-N 0 3 310.401 3.539 20 30 DHEDHN C=C(CN[C@@H]1CCN(C(C)=O)Cc2ccccc21)c1ccccc1 ZINC000352558107 336224583 /nfs/dbraw/zinc/22/45/83/336224583.db2.gz UVIRLUPWRXQHTH-OAQYLSRUSA-N 0 3 320.436 3.783 20 30 DHEDHN Cc1cn[nH]c1CNCc1ccc(-c2ccccc2C#N)cc1 ZINC000352792482 336236940 /nfs/dbraw/zinc/23/69/40/336236940.db2.gz AWXNTVLGIPUXFV-UHFFFAOYSA-N 0 3 302.381 3.547 20 30 DHEDHN C=CCOCCCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000352800634 336238734 /nfs/dbraw/zinc/23/87/34/336238734.db2.gz PDEGWNRCSFEWAF-OAHLLOKOSA-N 0 3 318.244 3.599 20 30 DHEDHN N#Cc1ccc(CN2CCC3(CC2)OCCc2ccsc23)cc1 ZINC000352801457 336239381 /nfs/dbraw/zinc/23/93/81/336239381.db2.gz SZKKRDGOZHHMQT-UHFFFAOYSA-N 0 3 324.449 3.684 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000103499570 336242097 /nfs/dbraw/zinc/24/20/97/336242097.db2.gz KLDFYZNIFJCGOC-UONOGXRCSA-N 0 3 306.475 3.528 20 30 DHEDHN C=CCCCN(C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000532414616 336245640 /nfs/dbraw/zinc/24/56/40/336245640.db2.gz PGHNIOMKZCSEQK-AWEZNQCLSA-N 0 3 308.853 3.757 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000532414911 336245670 /nfs/dbraw/zinc/24/56/70/336245670.db2.gz QSBNTNAOHFAXPH-INIZCTEOSA-N 0 3 308.491 3.850 20 30 DHEDHN C=CCc1cc(CN[C@H]2CCCC(F)(F)C2)cc(OC)c1O ZINC000532628695 336262977 /nfs/dbraw/zinc/26/29/77/336262977.db2.gz PCHHDFMSTNWGKA-AWEZNQCLSA-N 0 3 311.372 3.797 20 30 DHEDHN C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1ccc(C#N)cc1 ZINC000192915986 336284389 /nfs/dbraw/zinc/28/43/89/336284389.db2.gz WHRFOILYNKDQRW-CRAIPNDOSA-N 0 3 309.413 3.639 20 30 DHEDHN CN(C)[C@@H](CNc1nc2c(cc1C#N)CCCC2)c1ccccc1 ZINC000301072911 336288524 /nfs/dbraw/zinc/28/85/24/336288524.db2.gz FVHRDPHZESYOHA-IBGZPJMESA-N 0 3 320.440 3.547 20 30 DHEDHN N#Cc1cc(F)ccc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000301352528 336302033 /nfs/dbraw/zinc/30/20/33/336302033.db2.gz KRLZMRDJVWOLBK-LJQANCHMSA-N 0 3 309.388 3.946 20 30 DHEDHN CN(C)[C@@H](CNc1cc(C#N)nc2ccccc21)c1ccccc1 ZINC000301358024 336302363 /nfs/dbraw/zinc/30/23/63/336302363.db2.gz PIFLGOYHDXPUOL-FQEVSTJZSA-N 0 3 316.408 3.821 20 30 DHEDHN CN1CCC[C@H](CNc2cccc(C#N)n2)[C@H]1c1cccs1 ZINC000301438506 336306812 /nfs/dbraw/zinc/30/68/12/336306812.db2.gz STXJOUZSXQHSEA-DYVFJYSZSA-N 0 3 312.442 3.510 20 30 DHEDHN CC1=CCN(CCNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000302440899 336358848 /nfs/dbraw/zinc/35/88/48/336358848.db2.gz RICZDFOPPKDNNK-UHFFFAOYSA-N 0 3 309.335 3.641 20 30 DHEDHN CC1(C)CN(C(=O)C(C#N)CCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000514626245 336386357 /nfs/dbraw/zinc/38/63/57/336386357.db2.gz UDQWVOMCCAKTTJ-KSZLIROESA-N 0 3 310.441 3.796 20 30 DHEDHN CC[C@H](CC#N)NCCCC(=O)Nc1c(C)cc(C)cc1C ZINC000582249153 336394308 /nfs/dbraw/zinc/39/43/08/336394308.db2.gz GTUIAPXWPQLWHK-MRXNPFEDSA-N 0 3 301.434 3.612 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000113315359 336400842 /nfs/dbraw/zinc/40/08/42/336400842.db2.gz JCZWHAQZUVYDHQ-AWEZNQCLSA-N 0 3 313.372 3.697 20 30 DHEDHN COc1cc(CNCc2ccc(F)c3cccnc23)ccc1C#N ZINC000353255220 336408476 /nfs/dbraw/zinc/40/84/76/336408476.db2.gz WOSPMUSLWKLMDP-UHFFFAOYSA-N 0 3 321.355 3.544 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353413766 336416205 /nfs/dbraw/zinc/41/62/05/336416205.db2.gz QERZZMQUGPGGRO-XCLFUZPHSA-N 0 3 319.408 3.855 20 30 DHEDHN C=CCOc1ccccc1CN1CCC(OCC2CC2)CC1 ZINC000354125173 336460703 /nfs/dbraw/zinc/46/07/03/336460703.db2.gz CDIZETZCIHEJBP-UHFFFAOYSA-N 0 3 301.430 3.642 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000356427227 336549410 /nfs/dbraw/zinc/54/94/10/336549410.db2.gz OULKPVOWWQTSHL-NHYWBVRUSA-N 0 3 312.335 3.624 20 30 DHEDHN C[C@]1(NCc2ccc(C#N)cc2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000356444172 336550091 /nfs/dbraw/zinc/55/00/91/336550091.db2.gz XPSYVUFKSATINL-HOTGVXAUSA-N 0 3 324.346 3.624 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](CC(C)C)c1ccccc1 ZINC000357415113 336584670 /nfs/dbraw/zinc/58/46/70/336584670.db2.gz IFFSXLVYBIZEQE-GOSISDBHSA-N 0 3 300.446 3.564 20 30 DHEDHN CC[C@@H](NCCOc1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000358192703 336616079 /nfs/dbraw/zinc/61/60/79/336616079.db2.gz QALSSGOLTCFXNU-GOSISDBHSA-N 0 3 316.351 3.956 20 30 DHEDHN C[C@H](NCCCCNc1ccccn1)c1ccc(C#N)cc1F ZINC000358596013 336636208 /nfs/dbraw/zinc/63/62/08/336636208.db2.gz WAIJFELFHXUOBZ-AWEZNQCLSA-N 0 3 312.392 3.635 20 30 DHEDHN Cc1nc(NC[C@H](c2cccs2)N(C)C)c(Cl)cc1C#N ZINC000359844901 336689402 /nfs/dbraw/zinc/68/94/02/336689402.db2.gz SWOSGKKHFCTYFZ-CYBMUJFWSA-N 0 3 320.849 3.691 20 30 DHEDHN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(C#N)c1 ZINC000362043891 336783233 /nfs/dbraw/zinc/78/32/33/336783233.db2.gz YBPXUIIUTPNQBK-BEVDRBHNSA-N 0 3 306.409 3.987 20 30 DHEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2NCc2c(F)cccc2Cl)O1 ZINC000369846442 336873099 /nfs/dbraw/zinc/87/30/99/336873099.db2.gz MXKXXMYXBMAYET-SKNMWMDOSA-N 0 3 322.811 3.809 20 30 DHEDHN N#Cc1cc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)ccc1F ZINC000371554469 336907859 /nfs/dbraw/zinc/90/78/59/336907859.db2.gz QDPDUDLBTQOWMC-APWZRJJASA-N 0 3 310.372 3.565 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3cccc(F)c3)CC2)cc1 ZINC000372006473 336918793 /nfs/dbraw/zinc/91/87/93/336918793.db2.gz KZWLVNIMUDNDLX-FQEVSTJZSA-N 0 3 324.399 3.610 20 30 DHEDHN N#Cc1ccc([C@H](O)CN2CCC(c3cccc(F)c3)CC2)cc1 ZINC000372006474 336918818 /nfs/dbraw/zinc/91/88/18/336918818.db2.gz KZWLVNIMUDNDLX-HXUWFJFHSA-N 0 3 324.399 3.610 20 30 DHEDHN N#CC1(CCCN2CC=C(c3ccccc3)CC2)CCOCC1 ZINC000375605278 337014381 /nfs/dbraw/zinc/01/43/81/337014381.db2.gz CFDZYRCYJKVKAC-UHFFFAOYSA-N 0 3 310.441 3.876 20 30 DHEDHN N#Cc1cccc(CCN[C@@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000375837746 337020811 /nfs/dbraw/zinc/02/08/11/337020811.db2.gz HNBWWZQXTYCMNF-GOSISDBHSA-N 0 3 308.429 3.735 20 30 DHEDHN C=CCC[C@@H](CCC)N[C@H](c1nc(C)no1)C1CCOCC1 ZINC000375889226 337022149 /nfs/dbraw/zinc/02/21/49/337022149.db2.gz HKPDHKGXANTDOM-CVEARBPZSA-N 0 3 307.438 3.570 20 30 DHEDHN CC(=O)N1CCN(CCCCC(C)(C)C#N)CC12CCCCC2 ZINC000375933941 337023664 /nfs/dbraw/zinc/02/36/64/337023664.db2.gz QCKVIWPNGLZVOK-UHFFFAOYSA-N 0 3 319.493 3.573 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@]3(CCCCO3)C2)cc1 ZINC000376116949 337027487 /nfs/dbraw/zinc/02/74/87/337027487.db2.gz RIDOMXCWXHZPIM-VQIMIIECSA-N 0 3 314.429 3.513 20 30 DHEDHN N#Cc1ccc([C@H](O)CN[C@@H](c2ccccn2)C2CCCC2)cc1 ZINC000376162318 337028584 /nfs/dbraw/zinc/02/85/84/337028584.db2.gz LUFQZASAZKZPKK-WOJBJXKFSA-N 0 3 321.424 3.508 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000376957590 337044305 /nfs/dbraw/zinc/04/43/05/337044305.db2.gz XGWMMXHQBUWBRG-PKOBYXMFSA-N 0 3 314.473 3.617 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](CC)c1ccc(Cl)cc1 ZINC000218213797 337082660 /nfs/dbraw/zinc/08/26/60/337082660.db2.gz KUPJUSOWVBBDIZ-INIZCTEOSA-N 0 3 308.853 3.805 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000171738755 337088534 /nfs/dbraw/zinc/08/85/34/337088534.db2.gz XHLHHUPTMVQNLT-UHFFFAOYSA-N 0 3 301.434 3.582 20 30 DHEDHN C[C@H](CN(Cc1cc(C#N)cs1)[C@@H](C)CO)c1ccccc1 ZINC000582718699 337124634 /nfs/dbraw/zinc/12/46/34/337124634.db2.gz ZGBASNRAQQEJGB-CABCVRRESA-N 0 3 314.454 3.606 20 30 DHEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418342718 337150783 /nfs/dbraw/zinc/15/07/83/337150783.db2.gz FHZVGBURBJLJKE-ROUUACIJSA-N 0 3 315.461 3.560 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000179370331 337167489 /nfs/dbraw/zinc/16/74/89/337167489.db2.gz WROFIJZTFALZBJ-KBPBESRZSA-N 0 3 308.491 3.829 20 30 DHEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(OCC#N)cc1)CCCO2 ZINC000180557080 337176400 /nfs/dbraw/zinc/17/64/00/337176400.db2.gz ZAFZANKRYBMJLF-LJQANCHMSA-N 0 3 322.408 3.901 20 30 DHEDHN CC[C@@]1(CNCc2ccc(C#N)cc2)OCCc2ccccc21 ZINC000582993834 337223352 /nfs/dbraw/zinc/22/33/52/337223352.db2.gz ZFIVPSDCOJWZKT-FQEVSTJZSA-N 0 3 306.409 3.526 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000216619763 337223935 /nfs/dbraw/zinc/22/39/35/337223935.db2.gz FNYNIOSLHZJYMR-MRXNPFEDSA-N 0 3 308.425 3.691 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000185661015 337249915 /nfs/dbraw/zinc/24/99/15/337249915.db2.gz BQMGYPCUYJNHBP-UXLLHSPISA-N 0 3 320.502 3.850 20 30 DHEDHN C=CCC[C@@H](C(=O)NC1CCN(CC=C)CC1)c1ccccc1 ZINC000189277250 337277233 /nfs/dbraw/zinc/27/72/33/337277233.db2.gz VXWWRZYBQDZMRT-LJQANCHMSA-N 0 3 312.457 3.503 20 30 DHEDHN N#Cc1ccc(CN(CCc2ccccc2)[C@@H]2CCOC2)cc1F ZINC000192064970 337302324 /nfs/dbraw/zinc/30/23/24/337302324.db2.gz QCJGNKWXRODTGB-LJQANCHMSA-N 0 3 324.399 3.531 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1cccc(-n2ccnc2)c1 ZINC000192172477 337303624 /nfs/dbraw/zinc/30/36/24/337303624.db2.gz JLIJYZOHWKVQGC-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN COCCCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000193498245 337326750 /nfs/dbraw/zinc/32/67/50/337326750.db2.gz SBOFFWOFZMWEFI-UHFFFAOYSA-N 0 3 312.388 3.736 20 30 DHEDHN CN(CCSCc1ccc(C#N)s1)Cc1ccccc1 ZINC000583763235 337331444 /nfs/dbraw/zinc/33/14/44/337331444.db2.gz UIXCANLTSBGRHF-UHFFFAOYSA-N 0 3 302.468 3.985 20 30 DHEDHN CCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2)cc1OC ZINC000048710044 337435117 /nfs/dbraw/zinc/43/51/17/337435117.db2.gz VEGSQYMFNDIEIN-CQSZACIVSA-N 0 3 310.397 3.816 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(SC)cc2)CC1 ZINC000264389875 337632374 /nfs/dbraw/zinc/63/23/74/337632374.db2.gz MXTWVPWCVZPFMF-UHFFFAOYSA-N 0 3 319.474 3.571 20 30 DHEDHN C=CCC[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)C1CC1 ZINC000269708363 337637601 /nfs/dbraw/zinc/63/76/01/337637601.db2.gz NOHSGYIGTQXVIH-CYBMUJFWSA-N 0 3 324.350 3.583 20 30 DHEDHN C#CC[C@@H](NCc1ccc(OC)c(OCC)c1)c1ccccc1 ZINC000270187221 337639409 /nfs/dbraw/zinc/63/94/09/337639409.db2.gz KHKKGFZDOJCCNW-GOSISDBHSA-N 0 3 309.409 3.948 20 30 DHEDHN C=CCOCCN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000272379768 337648034 /nfs/dbraw/zinc/64/80/34/337648034.db2.gz BGZGCVQKXPQJPC-MRXNPFEDSA-N 0 3 324.424 3.792 20 30 DHEDHN Cc1cccc(Oc2ccccc2NC(=O)[C@H](N)CCCC#N)c1 ZINC000424077058 337731304 /nfs/dbraw/zinc/73/13/04/337731304.db2.gz NFOLYUCSMGCJAD-MRXNPFEDSA-N 0 3 323.396 3.747 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000536838635 337735992 /nfs/dbraw/zinc/73/59/92/337735992.db2.gz LZMNFUZCMMOSNW-AWEZNQCLSA-N 0 3 303.402 3.993 20 30 DHEDHN COc1cccc([C@H](CN[C@@H]2CCc3ccc(C#N)cc32)OC)c1 ZINC000527924854 337775590 /nfs/dbraw/zinc/77/55/90/337775590.db2.gz IFSJMCWXFGZIDN-UXHICEINSA-N 0 3 322.408 3.531 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Cl)c(Br)c2)C1 ZINC000424197130 337807210 /nfs/dbraw/zinc/80/72/10/337807210.db2.gz NMIJMNAZEDGGTC-GXSJLCMTSA-N 0 3 313.626 3.884 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000424582092 337873323 /nfs/dbraw/zinc/87/33/23/337873323.db2.gz HNPKZDGVEAEPRB-OAHLLOKOSA-N 0 3 308.491 3.850 20 30 DHEDHN COCCOc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000514939188 337975838 /nfs/dbraw/zinc/97/58/38/337975838.db2.gz QHYABXDJNJNLST-INIZCTEOSA-N 0 3 324.424 3.629 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000516071194 338003523 /nfs/dbraw/zinc/00/35/23/338003523.db2.gz FWXLXTFQVMUFDB-ZBFHGGJFSA-N 0 3 320.502 3.850 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC000084760319 338004913 /nfs/dbraw/zinc/00/49/13/338004913.db2.gz RERSVVCNKADACD-SNAWJCMRSA-N 0 3 312.457 3.555 20 30 DHEDHN CC#CCCNCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000426146475 338021231 /nfs/dbraw/zinc/02/12/31/338021231.db2.gz VVTPTWANOIVBHU-UHFFFAOYSA-N 0 3 307.319 3.599 20 30 DHEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)c1ccccc1 ZINC000428851559 338062402 /nfs/dbraw/zinc/06/24/02/338062402.db2.gz RXUDLVLIWRZOTC-LPHOPBHVSA-N 0 3 315.461 3.512 20 30 DHEDHN C=CCC(C)(C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000429936998 338092409 /nfs/dbraw/zinc/09/24/09/338092409.db2.gz PWZJTANTMOESET-UHFFFAOYSA-N 0 3 314.473 3.891 20 30 DHEDHN Cc1ccc(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433012652 338176143 /nfs/dbraw/zinc/17/61/43/338176143.db2.gz ULRLUHSLNSBLAX-IBGZPJMESA-N 0 3 321.424 3.958 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccc(Cl)c1 ZINC000433106127 338182098 /nfs/dbraw/zinc/18/20/98/338182098.db2.gz QPKUSNUIXQZELY-MRXNPFEDSA-N 0 3 312.800 3.729 20 30 DHEDHN C[C@@H](c1ccccc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433223052 338186469 /nfs/dbraw/zinc/18/64/69/338186469.db2.gz ZULZBIRRWWGANB-LPHOPBHVSA-N 0 3 306.409 3.979 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NC1(c2ccccc2F)CC1 ZINC000433344159 338193368 /nfs/dbraw/zinc/19/33/68/338193368.db2.gz QMAMCNUIQRKQOQ-MRXNPFEDSA-N 0 3 322.383 3.704 20 30 DHEDHN CC(C)CN(CC(C)C)C(=O)C(C#N)CCc1ccccc1 ZINC000433366507 338193837 /nfs/dbraw/zinc/19/38/37/338193837.db2.gz ZIKRFIOITFOANE-SFHVURJKSA-N 0 3 300.446 3.900 20 30 DHEDHN CCOC(=O)CC1(NCC#Cc2ccccc2Cl)CCCC1 ZINC000434613825 338220963 /nfs/dbraw/zinc/22/09/63/338220963.db2.gz FLSZJCXEZKIFNE-UHFFFAOYSA-N 0 3 319.832 3.547 20 30 DHEDHN C=CCOc1ccc(CN2CCC(n3ccc(C)n3)CC2)cc1 ZINC000435047762 338230857 /nfs/dbraw/zinc/23/08/57/338230857.db2.gz CZFDBILXWCCJOH-UHFFFAOYSA-N 0 3 311.429 3.593 20 30 DHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C(F)(F)F)ccc1F ZINC000435729477 338246523 /nfs/dbraw/zinc/24/65/23/338246523.db2.gz ASWOJMQFSRXPLB-XHDPSFHLSA-N 0 3 317.326 3.915 20 30 DHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(C)cc1Br ZINC000435744636 338247628 /nfs/dbraw/zinc/24/76/28/338247628.db2.gz YGWJGAWNPUISIQ-GDBMZVCRSA-N 0 3 324.262 3.828 20 30 DHEDHN CCN(C(=O)C(C)C#N)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000435949379 338253883 /nfs/dbraw/zinc/25/38/83/338253883.db2.gz RJHWZRXTOGRKAS-RYUDHWBXSA-N 0 3 312.335 3.645 20 30 DHEDHN C[C@@H](C1CC1)N(Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000437393581 338308793 /nfs/dbraw/zinc/30/87/93/338308793.db2.gz GPZFCVPNYMQZQH-NSHDSACASA-N 0 3 306.356 3.923 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2ccccc2)[C@H]1C ZINC000438482016 338345400 /nfs/dbraw/zinc/34/54/00/338345400.db2.gz ZMTFFAUYCGILBH-DNVCBOLYSA-N 0 3 306.409 3.945 20 30 DHEDHN O[C@@H]1CCCC[C@H]1[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000439011027 338358357 /nfs/dbraw/zinc/35/83/57/338358357.db2.gz ZPRFJWOPYBBKRK-SLFFLAALSA-N 0 3 315.432 3.583 20 30 DHEDHN CC(C)(C)CCN1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000441146203 338402884 /nfs/dbraw/zinc/40/28/84/338402884.db2.gz JEHBLCJCTZRCGF-UHFFFAOYSA-N 0 3 318.892 3.745 20 30 DHEDHN C=CCOc1cccc(CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000441382014 338411293 /nfs/dbraw/zinc/41/12/93/338411293.db2.gz IRRSQRVHMNZBQR-NRFANRHFSA-N 0 3 323.436 3.565 20 30 DHEDHN C=CCCN1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000441468440 338414600 /nfs/dbraw/zinc/41/46/00/338414600.db2.gz BZKXPRBDLBTWCM-AWEZNQCLSA-N 0 3 323.278 3.704 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(-c2ccccc2F)s1 ZINC000449548719 338636647 /nfs/dbraw/zinc/63/66/47/338636647.db2.gz QAGBAMUKKGEQEI-CVEARBPZSA-N 0 3 318.417 3.772 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(-c2ccc(C)cc2)s1 ZINC000449548393 338636704 /nfs/dbraw/zinc/63/67/04/338636704.db2.gz MXRVHROXACRRDQ-SJORKVTESA-N 0 3 314.454 3.942 20 30 DHEDHN C=CCC[C@H](NC[C@H](O)Cc1cccc(F)c1)c1ccco1 ZINC000453213114 338808800 /nfs/dbraw/zinc/80/88/00/338808800.db2.gz BQXJWVFZEBHDSK-SJORKVTESA-N 0 3 303.377 3.619 20 30 DHEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1nc(C(F)(F)F)cs1 ZINC000453298200 338820468 /nfs/dbraw/zinc/82/04/68/338820468.db2.gz XEQMEWNLERUFOW-GUBZILKMSA-N 0 3 303.353 3.895 20 30 DHEDHN C=C(C)CCN[C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000453307179 338821723 /nfs/dbraw/zinc/82/17/23/338821723.db2.gz BDVQRCSATAJMDS-ZWKOTPCHSA-N 0 3 321.486 3.636 20 30 DHEDHN C=CC(C)(C)CN[C@H](C)c1ncc(Br)cc1F ZINC000453311259 338822556 /nfs/dbraw/zinc/82/25/56/338822556.db2.gz SELWEMSOEAYWBM-SECBINFHSA-N 0 3 301.203 3.846 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(Br)cs1 ZINC000453366470 338832532 /nfs/dbraw/zinc/83/25/32/338832532.db2.gz SZVWPOWBWHYAKR-JLLWLGSASA-N 0 3 316.264 3.895 20 30 DHEDHN C=CCC1(NC(=O)c2cccc(CN(C)C)c2)CCCCC1 ZINC000456359948 338927693 /nfs/dbraw/zinc/92/76/93/338927693.db2.gz CPGPXCSWJYJDKQ-UHFFFAOYSA-N 0 3 300.446 3.757 20 30 DHEDHN CCO[C@@H]1C[C@H](NCC2(CC#N)CC2)[C@H]1Sc1ccccc1 ZINC000459508360 339033254 /nfs/dbraw/zinc/03/32/54/339033254.db2.gz JFERRAFVOZMJQS-GVDBMIGSSA-N 0 3 316.470 3.608 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559575 339035710 /nfs/dbraw/zinc/03/57/10/339035710.db2.gz LACPZVBLWTUJMI-IFXJQAMLSA-N 0 3 314.429 3.673 20 30 DHEDHN Cn1cc(CN2CC(C3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000459617617 339038750 /nfs/dbraw/zinc/03/87/50/339038750.db2.gz RGPLSGRXNZWZTG-UHFFFAOYSA-N 0 3 320.440 3.581 20 30 DHEDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCC(C)(C)CC#N ZINC000459687811 339043136 /nfs/dbraw/zinc/04/31/36/339043136.db2.gz HELACNBBNCDQOF-UHFFFAOYSA-N 0 3 324.472 3.886 20 30 DHEDHN CC(C)(CC#N)CNCc1ccccc1OCc1ccncc1 ZINC000459690906 339043155 /nfs/dbraw/zinc/04/31/55/339043155.db2.gz KKULHPNIJNTFOF-UHFFFAOYSA-N 0 3 309.413 3.690 20 30 DHEDHN CC(C)(CC#N)CNCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000459688943 339043200 /nfs/dbraw/zinc/04/32/00/339043200.db2.gz IHRFQHGHQCLVBN-UHFFFAOYSA-N 0 3 302.809 3.760 20 30 DHEDHN CC(C)(CC#N)CNCc1cnc(-c2ccccc2F)s1 ZINC000459734585 339045232 /nfs/dbraw/zinc/04/52/32/339045232.db2.gz RXOJJKOZUWSSIO-UHFFFAOYSA-N 0 3 303.406 3.979 20 30 DHEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459768991 339047298 /nfs/dbraw/zinc/04/72/98/339047298.db2.gz GEQGJGVXWJAREE-OSAQELSMSA-N 0 3 305.219 3.599 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC000459796908 339049206 /nfs/dbraw/zinc/04/92/06/339049206.db2.gz ZEHHHNJVYKJUKO-OSAQELSMSA-N 0 3 305.219 3.599 20 30 DHEDHN Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c(CN(C)C)c1 ZINC000462065339 339071734 /nfs/dbraw/zinc/07/17/34/339071734.db2.gz MUIDOEIQMIJXJR-HNNXBMFYSA-N 0 3 321.424 3.671 20 30 DHEDHN Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c(CN(C)C)c1 ZINC000462065340 339071739 /nfs/dbraw/zinc/07/17/39/339071739.db2.gz MUIDOEIQMIJXJR-OAHLLOKOSA-N 0 3 321.424 3.671 20 30 DHEDHN C=CCOc1cccc(CNC[C@@H](C)Oc2cccc(F)c2)c1 ZINC000462738580 339086098 /nfs/dbraw/zinc/08/60/98/339086098.db2.gz ZKHFNYGPYWFFOO-OAHLLOKOSA-N 0 3 315.388 3.948 20 30 DHEDHN N#Cc1cccc(Cl)c1N[C@H]1CCN(CC2CCCC2)C1 ZINC000462953796 339099001 /nfs/dbraw/zinc/09/90/01/339099001.db2.gz YVNUPUXPYKWUIG-HNNXBMFYSA-N 0 3 303.837 3.888 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000466244061 339197734 /nfs/dbraw/zinc/19/77/34/339197734.db2.gz JASVACPEXJAHML-MJGOQNOKSA-N 0 3 314.473 3.712 20 30 DHEDHN COc1cccc(Cl)c1CNCCc1cccc(C#N)c1 ZINC000466420947 339203982 /nfs/dbraw/zinc/20/39/82/339203982.db2.gz BDYBOXLNEJLRJG-UHFFFAOYSA-N 0 3 300.789 3.553 20 30 DHEDHN CO[C@H](C)[C@H](C)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000466893870 339220230 /nfs/dbraw/zinc/22/02/30/339220230.db2.gz LEGHDRMCOCWTMQ-JKSUJKDBSA-N 0 3 324.424 3.650 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000467329866 339231899 /nfs/dbraw/zinc/23/18/99/339231899.db2.gz DYWFYMRGDNOMHM-LPHOPBHVSA-N 0 3 312.457 3.707 20 30 DHEDHN C[C@H](NCCc1cccc(C#N)c1)c1cc(F)c(F)c(F)c1 ZINC000467437645 339238612 /nfs/dbraw/zinc/23/86/12/339238612.db2.gz IWRZFVLWXBOFRZ-NSHDSACASA-N 0 3 304.315 3.869 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000467521106 339240852 /nfs/dbraw/zinc/24/08/52/339240852.db2.gz XBPGEHRDZDFGCS-HKUYNNGSSA-N 0 3 302.462 3.788 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000467521109 339240933 /nfs/dbraw/zinc/24/09/33/339240933.db2.gz XBPGEHRDZDFGCS-MJGOQNOKSA-N 0 3 302.462 3.788 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000467735059 339245080 /nfs/dbraw/zinc/24/50/80/339245080.db2.gz WJKRCKIQQCCWPT-LJQANCHMSA-N 0 3 314.473 3.736 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000468107667 339254181 /nfs/dbraw/zinc/25/41/81/339254181.db2.gz GYWCCJLCIVDFMF-HHXXYDBFSA-N 0 3 300.446 3.540 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000468107669 339254191 /nfs/dbraw/zinc/25/41/91/339254191.db2.gz GYWCCJLCIVDFMF-SZVBFZGTSA-N 0 3 300.446 3.540 20 30 DHEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000468589915 339266899 /nfs/dbraw/zinc/26/68/99/339266899.db2.gz VSWCHNBLSCDYDQ-ZBEGNZNMSA-N 0 3 316.763 3.844 20 30 DHEDHN CCCN(Cc1cc(F)ccc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000469280008 339284930 /nfs/dbraw/zinc/28/49/30/339284930.db2.gz XVPGIXWGDPLSID-KZNAEPCWSA-N 0 3 316.420 3.723 20 30 DHEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000470600186 339323044 /nfs/dbraw/zinc/32/30/44/339323044.db2.gz GZYNOIBTHUPAMY-SMDDNHRTSA-N 0 3 310.319 3.919 20 30 DHEDHN C=C(C)CN(Cc1ccccc1)Cc1ccc2c(c1)nnn2C ZINC000470925833 339331184 /nfs/dbraw/zinc/33/11/84/339331184.db2.gz KUQQOSXAQVUKAU-UHFFFAOYSA-N 0 3 306.413 3.547 20 30 DHEDHN C=CCCCCNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000471711826 339351930 /nfs/dbraw/zinc/35/19/30/339351930.db2.gz IWEYGDSNKSIDNQ-UHFFFAOYSA-N 0 3 300.446 3.757 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(F)cc1)C(C)C ZINC000503440251 339363006 /nfs/dbraw/zinc/36/30/06/339363006.db2.gz USKBRXMIPQQZJT-KRWDZBQOSA-N 0 3 319.424 3.646 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@]2(CC)CO)cc1Cl ZINC000472614510 339375227 /nfs/dbraw/zinc/37/52/27/339375227.db2.gz RZRMBYNISONSOM-QGZVFWFLSA-N 0 3 309.837 3.642 20 30 DHEDHN C=C(C)COc1cc(CNC[C@H](C)C(F)(F)F)ccc1OC ZINC000479598664 339542973 /nfs/dbraw/zinc/54/29/73/339542973.db2.gz CCIFZWGLYXUOBM-LBPRGKRZSA-N 0 3 317.351 3.938 20 30 DHEDHN COC1(CNCC#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000480389111 339571762 /nfs/dbraw/zinc/57/17/62/339571762.db2.gz XXCHNRUKWDCJRP-UHFFFAOYSA-N 0 3 311.347 3.606 20 30 DHEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccc2ncsc2c1 ZINC000485834956 339714054 /nfs/dbraw/zinc/71/40/54/339714054.db2.gz QQEXKYFZUWYLLM-ZDUSSCGKSA-N 0 3 323.421 3.898 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNc1ncnc2sccc21)C(C)C ZINC000485892107 339715631 /nfs/dbraw/zinc/71/56/31/339715631.db2.gz UUNVUROQIYFGNR-HNNXBMFYSA-N 0 3 316.474 3.802 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)cc1C)C(C)C ZINC000495964602 339995672 /nfs/dbraw/zinc/99/56/72/339995672.db2.gz DJHAGVPCJXBDJA-LJQANCHMSA-N 0 3 314.473 3.732 20 30 DHEDHN C[C@H](CC#N)N(C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000496207819 340000520 /nfs/dbraw/zinc/00/05/20/340000520.db2.gz PWZALGWMEONEPL-BZUAXINKSA-N 0 3 323.481 3.551 20 30 DHEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000496344269 340003515 /nfs/dbraw/zinc/00/35/15/340003515.db2.gz KRXCLWITDYVWRA-OAHLLOKOSA-N 0 3 323.481 3.648 20 30 DHEDHN CN(C(=O)OC(C)(C)C)[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000496344268 340003542 /nfs/dbraw/zinc/00/35/42/340003542.db2.gz KRXCLWITDYVWRA-HNNXBMFYSA-N 0 3 323.481 3.648 20 30 DHEDHN Cc1cc(CNC(C)(C)COCc2ccccc2)ccc1C#N ZINC000500393438 340056445 /nfs/dbraw/zinc/05/64/45/340056445.db2.gz BRSZYIKKNHYARL-UHFFFAOYSA-N 0 3 308.425 3.952 20 30 DHEDHN COc1ccc([C@H]2C[C@H](NCc3ccc(C#N)s3)C2)cc1F ZINC000500536694 340061674 /nfs/dbraw/zinc/06/16/74/340061674.db2.gz SGAJTTKQKBGXFJ-JOCQHMNTSA-N 0 3 316.401 3.803 20 30 DHEDHN COc1cc(C#N)ccc1CNC(C)(C)COCc1ccccc1 ZINC000500823654 340067869 /nfs/dbraw/zinc/06/78/69/340067869.db2.gz PRDTXFSCCNOEGV-UHFFFAOYSA-N 0 3 324.424 3.652 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCCCC ZINC000500867297 340068780 /nfs/dbraw/zinc/06/87/80/340068780.db2.gz VUYSPPTZDUAVOB-UHFFFAOYSA-N 0 3 322.522 3.775 20 30 DHEDHN COc1ccc(C#N)cc1N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000500968166 340071093 /nfs/dbraw/zinc/07/10/93/340071093.db2.gz FQTONYCTTRYSMQ-CRAIPNDOSA-N 0 3 321.424 3.814 20 30 DHEDHN C=CCN(CC=C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000501135155 340074909 /nfs/dbraw/zinc/07/49/09/340074909.db2.gz OYPIBTFSISQMBL-MRXNPFEDSA-N 0 3 321.490 3.515 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000502561867 340107860 /nfs/dbraw/zinc/10/78/60/340107860.db2.gz WYBRRVDNAUGDSH-GOSISDBHSA-N 0 3 306.425 3.537 20 30 DHEDHN C=CCCCCCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503261269 340124238 /nfs/dbraw/zinc/12/42/38/340124238.db2.gz HTEFMUJZUDEFBK-LJQANCHMSA-N 0 3 310.441 3.926 20 30 DHEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(Cl)cc2)sc1C ZINC000505407666 340167763 /nfs/dbraw/zinc/16/77/63/340167763.db2.gz GQBFARBNKIQWLB-GFCCVEGCSA-N 0 3 305.790 3.659 20 30 DHEDHN C[C@@H](CCc1ccccc1)N1CCN(c2ccccc2C#N)CC1 ZINC000507278626 340216469 /nfs/dbraw/zinc/21/64/69/340216469.db2.gz MYPIGFPILRPBLX-SFHVURJKSA-N 0 3 319.452 3.702 20 30 DHEDHN COCc1ccccc1/C=C(/C)CNCc1cccc(C#N)c1 ZINC000509847799 340281488 /nfs/dbraw/zinc/28/14/88/340281488.db2.gz SWWZKVSIHAGRLD-YBEGLDIGSA-N 0 3 306.409 3.898 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]2Cc2cccc(F)c2)s1 ZINC000510403476 340298118 /nfs/dbraw/zinc/29/81/18/340298118.db2.gz IANLYRMGDXTYGS-HNNXBMFYSA-N 0 3 300.402 3.966 20 30 DHEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000510418863 340298698 /nfs/dbraw/zinc/29/86/98/340298698.db2.gz AFDWQSWZBDOZAX-RISCZKNCSA-N 0 3 310.319 3.919 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000510555937 340302680 /nfs/dbraw/zinc/30/26/80/340302680.db2.gz WOMCWJQUMRJKSZ-VDZJLULYSA-N 0 3 302.462 3.705 20 30 DHEDHN C[C@H](N[C@@H]1CCc2ccccc2OC1)c1ccc(C#N)cc1F ZINC000511007644 340318109 /nfs/dbraw/zinc/31/81/09/340318109.db2.gz BSIHCCWLCVBFKQ-XJKSGUPXSA-N 0 3 310.372 3.742 20 30 DHEDHN C=CCOc1ccc(CN(C)C[C@H]2CCCCO2)cc1Cl ZINC000511638981 340333511 /nfs/dbraw/zinc/33/35/11/340333511.db2.gz CTOIYJKDDWJSEX-OAHLLOKOSA-N 0 3 309.837 3.906 20 30 DHEDHN C=CCN(CC=C)C(=O)CN(C)[C@H](c1ccccc1)C(C)C ZINC000303576705 340335102 /nfs/dbraw/zinc/33/51/02/340335102.db2.gz ZLGZGEZVPODUBU-IBGZPJMESA-N 0 3 300.446 3.516 20 30 DHEDHN N#Cc1ccc(CNCCn2ccc3cc(Cl)ccc32)cc1 ZINC000512502158 340364342 /nfs/dbraw/zinc/36/43/42/340364342.db2.gz VRCQAQWGOKHNOI-UHFFFAOYSA-N 0 3 309.800 3.956 20 30 DHEDHN CC(C)(CNCc1cc(C#N)cs1)Oc1cc(F)cc(F)c1 ZINC000512517504 340365168 /nfs/dbraw/zinc/36/51/68/340365168.db2.gz XDRCCYUYKXRFQS-UHFFFAOYSA-N 0 3 322.380 3.845 20 30 DHEDHN CC[C@H]1CCCCN1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512612867 340369023 /nfs/dbraw/zinc/36/90/23/340369023.db2.gz QGYKWPIHUPBFJD-HOCLYGCPSA-N 0 3 303.425 3.612 20 30 DHEDHN C[C@@H](NCCCOc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512635439 340370374 /nfs/dbraw/zinc/37/03/74/340370374.db2.gz HDIVFVRSZIFJTA-CYBMUJFWSA-N 0 3 316.351 3.956 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000512649421 340370881 /nfs/dbraw/zinc/37/08/81/340370881.db2.gz XAEIPWVJPFXBGK-IBGZPJMESA-N 0 3 308.425 3.938 20 30 DHEDHN C[C@@H](N[C@@H]1CCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512655073 340371253 /nfs/dbraw/zinc/37/12/53/340371253.db2.gz RJBRIBGMCJBUIJ-GDBMZVCRSA-N 0 3 309.388 3.627 20 30 DHEDHN CCN(CCOc1ccccc1C#N)[C@@H](C)c1cccc(O)c1 ZINC000174619744 340393207 /nfs/dbraw/zinc/39/32/07/340393207.db2.gz XCRKIIOUXOUDTI-HNNXBMFYSA-N 0 3 310.397 3.726 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000184924329 340496563 /nfs/dbraw/zinc/49/65/63/340496563.db2.gz WRNKANKNEYOJHZ-STQMWFEESA-N 0 3 316.832 3.835 20 30 DHEDHN CC(C)(C)OC(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185848798 340505931 /nfs/dbraw/zinc/50/59/31/340505931.db2.gz XGTHBILPCDMFAT-DOTOQJQBSA-N 0 3 314.429 3.814 20 30 DHEDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000521899283 340538884 /nfs/dbraw/zinc/53/88/84/340538884.db2.gz QKGCXKYOZFDRSK-PXAZEXFGSA-N 0 3 307.353 3.805 20 30 DHEDHN CO[C@@H](CNC1(c2cccc(C#N)c2)CC1)Cc1ccc(F)cc1 ZINC000528434210 340718735 /nfs/dbraw/zinc/71/87/35/340718735.db2.gz ADSWPCAKGQZBQS-LJQANCHMSA-N 0 3 324.399 3.534 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)C(C)(C)c1ccccc1 ZINC000538149485 340811381 /nfs/dbraw/zinc/81/13/81/340811381.db2.gz AQVQHGYVMOLCKB-IAGOWNOFSA-N 0 3 316.489 3.755 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000538184954 340812181 /nfs/dbraw/zinc/81/21/81/340812181.db2.gz OVBAFVSVORVNQQ-IRXDYDNUSA-N 0 3 302.462 3.767 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000538208560 340813362 /nfs/dbraw/zinc/81/33/62/340813362.db2.gz SHCBHTUTVLFXDM-SJORKVTESA-N 0 3 302.462 3.767 20 30 DHEDHN CCC1(CC)[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C[C@H]1OC ZINC000539607038 340892148 /nfs/dbraw/zinc/89/21/48/340892148.db2.gz WZCDCKOZQHRPAB-CSMYWGQOSA-N 0 3 304.409 3.942 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000542084090 340994875 /nfs/dbraw/zinc/99/48/75/340994875.db2.gz BBFUXKDCXOGYND-DOTOQJQBSA-N 0 3 317.477 3.770 20 30 DHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1C[C@H]1c1ccccc1 ZINC000564253576 341000308 /nfs/dbraw/zinc/00/03/08/341000308.db2.gz UAKOCDRWEFMOCM-XLIONFOSSA-N 0 3 311.425 3.954 20 30 DHEDHN CCCOc1ccc(CN2CCC(CC#N)CC2)cc1OCC ZINC000542851721 341023560 /nfs/dbraw/zinc/02/35/60/341023560.db2.gz YWFFDCQRVAGDJJ-UHFFFAOYSA-N 0 3 316.445 4.000 20 30 DHEDHN N#CCC1CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000542883325 341025320 /nfs/dbraw/zinc/02/53/20/341025320.db2.gz QRZFCHOFYPSXHF-UHFFFAOYSA-N 0 3 312.335 3.710 20 30 DHEDHN Cc1ccccc1[C@@H](CO)NCc1ccccc1C(C)(C)C#N ZINC000542910130 341025982 /nfs/dbraw/zinc/02/59/82/341025982.db2.gz DGXLGPOAGVHENV-LJQANCHMSA-N 0 3 308.425 3.619 20 30 DHEDHN N#Cc1cccc(NC2CCN(CCc3ccc(F)cc3)CC2)c1 ZINC000542949211 341027145 /nfs/dbraw/zinc/02/71/45/341027145.db2.gz PNQTVQDHPIXURY-UHFFFAOYSA-N 0 3 323.415 3.816 20 30 DHEDHN N#CCc1ccc(CN2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000543135423 341033429 /nfs/dbraw/zinc/03/34/29/341033429.db2.gz ILCHOXQCPYOTBP-FQEVSTJZSA-N 0 3 305.425 3.829 20 30 DHEDHN Cc1ccc([C@@H](NCCOc2ccc(C#N)cc2)C2CCC2)o1 ZINC000543598976 341050461 /nfs/dbraw/zinc/05/04/61/341050461.db2.gz KBJVVXXRFZYICU-IBGZPJMESA-N 0 3 310.397 3.970 20 30 DHEDHN CC(C)(C#N)c1nc(-c2ccccc2CN2CCCCC2)no1 ZINC000544805211 341094284 /nfs/dbraw/zinc/09/42/84/341094284.db2.gz IQFQETPJBBNVRD-UHFFFAOYSA-N 0 3 310.401 3.524 20 30 DHEDHN OCC[C@@H](NCC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000544896938 341098284 /nfs/dbraw/zinc/09/82/84/341098284.db2.gz LFJJQSMXZQJHHW-GOSISDBHSA-N 0 3 305.849 3.612 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000545232767 341116018 /nfs/dbraw/zinc/11/60/18/341116018.db2.gz AAYDAGOUNGQDBL-KRWDZBQOSA-N 0 3 300.446 3.718 20 30 DHEDHN CCCCN(CC)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000132665568 341138017 /nfs/dbraw/zinc/13/80/17/341138017.db2.gz RCQLYUDPUNJJKS-OAHLLOKOSA-N 0 3 319.424 3.583 20 30 DHEDHN CCCOc1cccc(CNCCOc2ccc(C#N)cc2)c1 ZINC000236877065 341203798 /nfs/dbraw/zinc/20/37/98/341203798.db2.gz DDUJXAYBATZFLI-UHFFFAOYSA-N 0 3 310.397 3.516 20 30 DHEDHN COc1ccc([C@@H](C)N(C)Cc2ccc(OC)c(C#N)c2)cc1 ZINC000134951023 341227218 /nfs/dbraw/zinc/22/72/18/341227218.db2.gz MAAZULIITYZWGA-CQSZACIVSA-N 0 3 310.397 3.768 20 30 DHEDHN COc1ccc([C@H](C)N(C)Cc2ccc(OC)c(C#N)c2)cc1 ZINC000134951003 341227271 /nfs/dbraw/zinc/22/72/71/341227271.db2.gz MAAZULIITYZWGA-AWEZNQCLSA-N 0 3 310.397 3.768 20 30 DHEDHN CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000548159477 341250385 /nfs/dbraw/zinc/25/03/85/341250385.db2.gz DSEBHIMMFMNFFO-ZBFHGGJFSA-N 0 3 317.433 3.655 20 30 DHEDHN C=C(C)CN(CC)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000079251143 341255846 /nfs/dbraw/zinc/25/58/46/341255846.db2.gz COJDYABDPUUKCS-INIZCTEOSA-N 0 3 323.506 3.739 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000079502349 341260305 /nfs/dbraw/zinc/26/03/05/341260305.db2.gz ADMLYZQUQRUIAX-OAQYLSRUSA-N 0 3 320.436 3.782 20 30 DHEDHN CC(C)(C)OCCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000548865377 341278873 /nfs/dbraw/zinc/27/88/73/341278873.db2.gz GXSMMQDWBCRXBT-UHFFFAOYSA-N 0 3 315.461 3.534 20 30 DHEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)CCOc1cccc(C#N)c1 ZINC000549181702 341288284 /nfs/dbraw/zinc/28/82/84/341288284.db2.gz UULWINCCKYBIJX-ZDUSSCGKSA-N 0 3 316.351 3.908 20 30 DHEDHN C=CCC(C)(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000550833160 341324035 /nfs/dbraw/zinc/32/40/35/341324035.db2.gz UCHBJCRZFBMXFR-INIZCTEOSA-N 0 3 314.473 3.931 20 30 DHEDHN C[C@H](NC[C@@H](CO)C1CCCCC1)c1ccc(C#N)cc1F ZINC000550898118 341326235 /nfs/dbraw/zinc/32/62/35/341326235.db2.gz SBQBVLHDXZMVQJ-BBRMVZONSA-N 0 3 304.409 3.537 20 30 DHEDHN C=CCC[C@@H](NCCC(=O)NC1CCCCC1)c1ccco1 ZINC000552033509 341363515 /nfs/dbraw/zinc/36/35/15/341363515.db2.gz GKNJZPVTCCSZRO-MRXNPFEDSA-N 0 3 304.434 3.716 20 30 DHEDHN CC(C)OC(=O)C[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249088374 341393390 /nfs/dbraw/zinc/39/33/90/341393390.db2.gz CKUWPKVLFSVQKV-NVXWUHKLSA-N 0 3 314.429 3.673 20 30 DHEDHN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCCC[C@H]1C ZINC000249409734 341397321 /nfs/dbraw/zinc/39/73/21/341397321.db2.gz VAFXXYAEXJFFNT-WBMJQRKESA-N 0 3 317.433 3.607 20 30 DHEDHN COc1cc(CN[C@H]2c3cc(C)ccc3C[C@H]2C)ccc1C#N ZINC000565152969 341518469 /nfs/dbraw/zinc/51/84/69/341518469.db2.gz LNBIKLUUMKKEGB-JLTOFOAXSA-N 0 3 306.409 3.898 20 30 DHEDHN Cc1cccc(O[C@H]2CCCC[C@@H]2NCc2ccc(C#N)cn2)c1 ZINC000566415285 341557167 /nfs/dbraw/zinc/55/71/67/341557167.db2.gz AMQSRULQZUGEOC-PMACEKPBSA-N 0 3 321.424 3.742 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000567663186 341625643 /nfs/dbraw/zinc/62/56/43/341625643.db2.gz FZWIPUJZZZTFNY-RVKKMQEKSA-N 0 3 306.413 3.532 20 30 DHEDHN COc1cccc(O[C@H](C)CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000174256449 341825402 /nfs/dbraw/zinc/82/54/02/341825402.db2.gz FZRXFKRDNRVJMD-HUUCEWRRSA-N 0 3 310.397 3.685 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000192599177 341876957 /nfs/dbraw/zinc/87/69/57/341876957.db2.gz AEZCIIOZZLTUPE-MAUKXSAKSA-N 0 3 300.446 3.540 20 30 DHEDHN CC[C@H](CNCc1ccc(C#N)s1)Oc1ccccc1C ZINC000178615825 341960052 /nfs/dbraw/zinc/96/00/52/341960052.db2.gz QRSMPZXMHRYGPT-CQSZACIVSA-N 0 3 300.427 3.875 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NCCc2nc3cc(Cl)ccc3s2)C1 ZINC000442813245 518196369 /nfs/dbraw/zinc/19/63/69/518196369.db2.gz GKDZHDFFRVMRQG-ZYHUDNBSSA-N 0 3 305.834 3.774 20 30 DHEDHN CCOCc1cc(CN(C)Cc2cccc(C#N)c2)ccc1OC ZINC000180048022 520182340 /nfs/dbraw/zinc/18/23/40/520182340.db2.gz OOXGXKUUOMMUAQ-UHFFFAOYSA-N 0 3 324.424 3.735 20 30 DHEDHN CC[C@@H](NCCCOc1cccc(C#N)c1)c1nc(C)cs1 ZINC000184368455 522830295 /nfs/dbraw/zinc/83/02/95/522830295.db2.gz UVVKDLOAYQNGDU-MRXNPFEDSA-N 0 3 315.442 3.833 20 30 DHEDHN COC(=O)CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000181941503 523115618 /nfs/dbraw/zinc/11/56/18/523115618.db2.gz QBZHGFQIRYPUOQ-DNVCBOLYSA-N 0 3 322.408 3.903 20 30 DHEDHN COc1ccccc1O[C@@H](C)CN[C@H](C)c1cccc(C#N)c1 ZINC000181831731 524690816 /nfs/dbraw/zinc/69/08/16/524690816.db2.gz ZWOGFGLQJQWMNG-LSDHHAIUSA-N 0 3 310.397 3.685 20 30 DHEDHN C[C@H](NC[C@@](C)(O)c1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000185309209 525401153 /nfs/dbraw/zinc/40/11/53/525401153.db2.gz ZVCBRLGNJZKPEF-SCLBCKFNSA-N 0 3 314.816 3.770 20 30 DHEDHN C[C@H](NCc1ccc(F)c(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000181755513 525441462 /nfs/dbraw/zinc/44/14/62/525441462.db2.gz HRSXXNDMKLDZRA-AWEZNQCLSA-N 0 3 311.404 3.610 20 30 DHEDHN C[C@@H](NC[C@](C)(O)c1ccccc1Cl)c1cccc(C#N)c1 ZINC000157559845 525509724 /nfs/dbraw/zinc/50/97/24/525509724.db2.gz CSOTVZZNCVPZOS-ACJLOTCBSA-N 0 3 314.816 3.770 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000339426766 525519191 /nfs/dbraw/zinc/51/91/91/525519191.db2.gz XQGZHBMYVJHZHC-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN C[C@@H](NCc1ccc(F)c(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000181755530 525523996 /nfs/dbraw/zinc/52/39/96/525523996.db2.gz HRSXXNDMKLDZRA-CQSZACIVSA-N 0 3 311.404 3.610 20 30 DHEDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1CO)c1ccc(C#N)s1 ZINC000365092873 525641172 /nfs/dbraw/zinc/64/11/72/525641172.db2.gz JEBPKWVFPBGQJQ-XAYKYTGQSA-N 0 3 312.438 3.566 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)s1 ZINC000180507021 526614031 /nfs/dbraw/zinc/61/40/31/526614031.db2.gz WHXWZHNANGROGG-SWLSCSKDSA-N 0 3 318.467 3.769 20 30 DHEDHN N#Cc1ccc(OCCN[C@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000367602112 526675805 /nfs/dbraw/zinc/67/58/05/526675805.db2.gz QYQFBUYCBNEPFY-SFHVURJKSA-N 0 3 324.428 3.571 20 30 DHEDHN N#Cc1cccc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000267439529 526702858 /nfs/dbraw/zinc/70/28/58/526702858.db2.gz HMSQIIVYNCPYSC-SJORKVTESA-N 0 3 312.438 3.708 20 30 DHEDHN Cc1sc(NC(=O)CN(C)[C@@H]2CCCC[C@H]2C)c(C#N)c1C ZINC000246108009 526880351 /nfs/dbraw/zinc/88/03/51/526880351.db2.gz BPIHBASDWVXBKE-IAQYHMDHSA-N 0 3 319.474 3.686 20 30 DHEDHN CC[C@@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000278381220 535807930 /nfs/dbraw/zinc/80/79/30/535807930.db2.gz DAVVCHKJXRIHOO-XJKSGUPXSA-N 0 3 317.433 3.512 20 30 DHEDHN C=CCN1CCC(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000519274739 1013299608 /nfs/dbraw/zinc/29/96/08/1013299608.db2.gz NKHHPKJDGNQCOY-HZPDHXFCSA-N 0 3 306.494 3.606 20 30 DHEDHN CC#CCN[C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000119414397 1013376821 /nfs/dbraw/zinc/37/68/21/1013376821.db2.gz DADWZSGNIXBWCX-LBPRGKRZSA-N 0 3 300.427 3.801 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000280786853 1013552466 /nfs/dbraw/zinc/55/24/66/1013552466.db2.gz IXMBPOJPANUOLX-HOJAQTOUSA-N 0 3 308.425 3.742 20 30 DHEDHN C#C[C@@H](N[C@@H]1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000894870203 1013571749 /nfs/dbraw/zinc/57/17/49/1013571749.db2.gz JGEGAXWMOLDYSR-HUUCEWRRSA-N 0 3 322.246 3.671 20 30 DHEDHN C#C[C@H](N[C@H]1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000894870199 1013571858 /nfs/dbraw/zinc/57/18/58/1013571858.db2.gz JGEGAXWMOLDYSR-GJZGRUSLSA-N 0 3 322.246 3.671 20 30 DHEDHN Cc1sc(NC(=O)CN(CC(C)C)C(C)C)c(C#N)c1C ZINC000177021761 1013698496 /nfs/dbraw/zinc/69/84/96/1013698496.db2.gz YHONEOLIPYHMHP-UHFFFAOYSA-N 0 3 307.463 3.542 20 30 DHEDHN CC[C@@H]1CCCCN1CCNC(=O)c1c(C)noc1C(C)C ZINC000330732064 1013837911 /nfs/dbraw/zinc/83/79/11/1013837911.db2.gz JMDJBFPBUSLEIW-CQSZACIVSA-N 0 3 307.438 3.676 20 30 DHEDHN C=CCCCCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC001167361015 1014046053 /nfs/dbraw/zinc/04/60/53/1014046053.db2.gz XVAUZHKSDWULTL-KRWDZBQOSA-N 0 3 302.462 3.730 20 30 DHEDHN C=CCC[C@H](CO)NCc1cccc(Br)c1Cl ZINC000706559430 1014101048 /nfs/dbraw/zinc/10/10/48/1014101048.db2.gz KMOLIIDOPIBKMO-LLVKDONJSA-N 0 3 318.642 3.519 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccc(F)cc2)n1 ZINC000155762085 1014173058 /nfs/dbraw/zinc/17/30/58/1014173058.db2.gz PODQKAGIRVEQSJ-GFCCVEGCSA-N 0 3 303.362 3.651 20 30 DHEDHN CN(CCCOc1ccc(F)cc1)Cc1cc(C#N)cs1 ZINC000091948999 1014196127 /nfs/dbraw/zinc/19/61/27/1014196127.db2.gz AEGOGDRJUJLBBG-UHFFFAOYSA-N 0 3 304.390 3.660 20 30 DHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccccc1 ZINC000049224289 1014278358 /nfs/dbraw/zinc/27/83/58/1014278358.db2.gz ULLKWNJIBXHFLS-NVXWUHKLSA-N 0 3 314.429 3.586 20 30 DHEDHN CCCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(OC(F)F)c1 ZINC000442799516 1014737850 /nfs/dbraw/zinc/73/78/50/1014737850.db2.gz YRXOUDRNRVQLEY-JSGCOSHPSA-N 0 3 324.371 3.859 20 30 DHEDHN Cc1ccc(CN2CCSCC2)cc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000442864359 1014751481 /nfs/dbraw/zinc/75/14/81/1014751481.db2.gz GGSIRWSPTROQOT-NVXWUHKLSA-N 0 3 315.486 3.648 20 30 DHEDHN CC[C@@H](C)CN(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000341020118 1014819406 /nfs/dbraw/zinc/81/94/06/1014819406.db2.gz UYKJAXQGMLCBGV-OAHLLOKOSA-N 0 3 315.461 3.528 20 30 DHEDHN C[C@H](c1cccc(F)c1)N(C)CCOCc1ccc(C#N)cc1 ZINC000522031248 1014865816 /nfs/dbraw/zinc/86/58/16/1014865816.db2.gz XBMYBWNZNMCNGZ-OAHLLOKOSA-N 0 3 312.388 3.907 20 30 DHEDHN C=CCCN[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000656679462 1015056281 /nfs/dbraw/zinc/05/62/81/1015056281.db2.gz IYKHUEDRWDYGLZ-IBGZPJMESA-N 0 3 324.424 3.931 20 30 DHEDHN C=C(C)CN(Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000474171830 1015155437 /nfs/dbraw/zinc/15/54/37/1015155437.db2.gz PIHBCBOIKOPZBR-UHFFFAOYSA-N 0 3 307.434 3.889 20 30 DHEDHN C#CC[C@H]1CCN(Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC000895563047 1015204482 /nfs/dbraw/zinc/20/44/82/1015204482.db2.gz SAIVWKFEEIUXDJ-AWEZNQCLSA-N 0 3 312.438 3.664 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2CC(CC3CCOCC3)C2)cc1 ZINC000895615902 1015227137 /nfs/dbraw/zinc/22/71/37/1015227137.db2.gz QJWVEDNZHCMEOY-UHFFFAOYSA-N 0 3 312.457 3.736 20 30 DHEDHN N#Cc1ccc(OCCN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000025360090 1015250595 /nfs/dbraw/zinc/25/05/95/1015250595.db2.gz ROKTWGJGCARWGX-IBGZPJMESA-N 0 3 310.372 3.913 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(C#N)c1 ZINC000178178119 1015399117 /nfs/dbraw/zinc/39/91/17/1015399117.db2.gz SJNUUHGBXNOCED-ZIAGYGMSSA-N 0 3 319.408 3.855 20 30 DHEDHN C=CCC1(O)CCN(Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000896059109 1015431704 /nfs/dbraw/zinc/43/17/04/1015431704.db2.gz VLXBEJSNAZLVNO-UHFFFAOYSA-N 0 3 324.424 3.777 20 30 DHEDHN CCCN(Cc1cn2ccnc2s1)Cc1ccc(C#N)cc1 ZINC000891652023 1015487302 /nfs/dbraw/zinc/48/73/02/1015487302.db2.gz BCAMNGKNYINFIW-UHFFFAOYSA-N 0 3 310.426 3.680 20 30 DHEDHN CCN(Cc1cn2ccnc2s1)[C@H](C)c1ccc(C#N)cc1 ZINC000891656164 1015491908 /nfs/dbraw/zinc/49/19/08/1015491908.db2.gz MAMUDAYBMHHPLW-CYBMUJFWSA-N 0 3 310.426 3.851 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCCC2(c3ccccc3)CC2)c1 ZINC000896278678 1015533702 /nfs/dbraw/zinc/53/37/02/1015533702.db2.gz XNNXICRNEHBUAV-UHFFFAOYSA-N 0 3 311.816 3.818 20 30 DHEDHN N#Cc1cc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)cs1 ZINC000891870329 1015699645 /nfs/dbraw/zinc/69/96/45/1015699645.db2.gz SIOZNAZAKDTOER-ROUUACIJSA-N 0 3 312.438 3.708 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000341760477 1015725186 /nfs/dbraw/zinc/72/51/86/1015725186.db2.gz ZHOBCXSEAYOKOR-GOSISDBHSA-N 0 3 310.372 3.873 20 30 DHEDHN COc1ccccc1[C@H](C/N=C/c1ccccc1O)N1CCCC1 ZINC000022769478 1015817273 /nfs/dbraw/zinc/81/72/73/1015817273.db2.gz VHLWQKXVAAULHU-SXZORUHJSA-N 0 3 324.424 3.657 20 30 DHEDHN COC(=O)C(C)(C)[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000610908793 1015939451 /nfs/dbraw/zinc/93/94/51/1015939451.db2.gz HVZKFEXIDXDSDF-GOSISDBHSA-N 0 3 322.408 3.588 20 30 DHEDHN N#Cc1cccc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)c1F ZINC000538149373 1015941630 /nfs/dbraw/zinc/94/16/30/1015941630.db2.gz XBRYFGXPLCILBW-HNNXBMFYSA-N 0 3 312.363 3.901 20 30 DHEDHN N#Cc1cc(CN2CC[C@@H](CSc3ccccc3)C2)ccn1 ZINC000610993731 1015999143 /nfs/dbraw/zinc/99/91/43/1015999143.db2.gz FJWTXAMMHGPRIS-MRXNPFEDSA-N 0 3 309.438 3.567 20 30 DHEDHN C=C[C@H](CC)CC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000934194341 1016209552 /nfs/dbraw/zinc/20/95/52/1016209552.db2.gz CQWUOEALJJRHBA-QGZVFWFLSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCN1CCC(NC(=O)CCc2ccc3ccccc3c2)CC1 ZINC000171716122 1016593017 /nfs/dbraw/zinc/59/30/17/1016593017.db2.gz XWNCHXHNICKHGY-UHFFFAOYSA-N 0 3 322.452 3.539 20 30 DHEDHN C[C@@H](NCCN1CCCc2ccccc21)c1ccc(C#N)cc1F ZINC000611587804 1016611555 /nfs/dbraw/zinc/61/15/55/1016611555.db2.gz DLEQNNIYEZDIFG-OAHLLOKOSA-N 0 3 323.415 3.801 20 30 DHEDHN CCC[C@H](C)N(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051686666 1016769403 /nfs/dbraw/zinc/76/94/03/1016769403.db2.gz OXXPILJVOJEFJK-INIZCTEOSA-N 0 3 315.461 3.671 20 30 DHEDHN CC(=O)Nc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000611624384 1016948979 /nfs/dbraw/zinc/94/89/79/1016948979.db2.gz JETAACFZJIYEND-KBPBESRZSA-N 0 3 307.397 3.928 20 30 DHEDHN N#CCc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000342689897 1017014973 /nfs/dbraw/zinc/01/49/73/1017014973.db2.gz FSEGTQKOWPZSRO-UHFFFAOYSA-N 0 3 304.393 3.748 20 30 DHEDHN C=CCCn1cc(CN[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)nn1 ZINC000657492218 1017025301 /nfs/dbraw/zinc/02/53/01/1017025301.db2.gz AFBYQILAKXSFOO-BHIYHBOVSA-N 0 3 324.472 3.916 20 30 DHEDHN N#CCc1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000342702866 1017042732 /nfs/dbraw/zinc/04/27/32/1017042732.db2.gz ZVHNFJWKRJHSQT-NRFANRHFSA-N 0 3 320.436 3.934 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000523009199 1017060645 /nfs/dbraw/zinc/06/06/45/1017060645.db2.gz RBAAACUMOAVMHW-GOSISDBHSA-N 0 3 306.425 3.537 20 30 DHEDHN C#C[C@H]1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000847032416 1032185539 /nfs/dbraw/zinc/18/55/39/1032185539.db2.gz STRAJRTWPMYWOU-KRWDZBQOSA-N 0 3 318.420 3.784 20 30 DHEDHN C[C@H](NCc1cccc(-c2nccn2C)c1)c1cccc(C#N)c1 ZINC000362034330 1032201373 /nfs/dbraw/zinc/20/13/73/1032201373.db2.gz ATVDHTNCPVJSLX-HNNXBMFYSA-N 0 3 316.408 3.810 20 30 DHEDHN COc1ccc(Cl)c2c1C[C@@H](N1CCC[C@H](C#N)CC1)CC2 ZINC001171321857 1032367175 /nfs/dbraw/zinc/36/71/75/1032367175.db2.gz QGKRYMPHWRHDIP-KBPBESRZSA-N 0 3 318.848 3.832 20 30 DHEDHN CC[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CCS1 ZINC000093502150 1032544064 /nfs/dbraw/zinc/54/40/64/1032544064.db2.gz MCKDBOIJUPZYFW-QGZVFWFLSA-N 0 3 304.459 3.697 20 30 DHEDHN COc1ccc(CN[C@H](C)c2cc3c(s2)CCC3)cc1C#N ZINC000773075652 1032548038 /nfs/dbraw/zinc/54/80/38/1032548038.db2.gz JUEJSEWXTOWTGH-GFCCVEGCSA-N 0 3 312.438 3.968 20 30 DHEDHN CC(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424116093 1011908568 /nfs/dbraw/zinc/90/85/68/1011908568.db2.gz BHKMATWLYYILLJ-CVEARBPZSA-N 0 3 321.852 3.565 20 30 DHEDHN Cc1ccc(Oc2ccccc2)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424120752 1011911946 /nfs/dbraw/zinc/91/19/46/1011911946.db2.gz HAJPYNQMEQVQHY-MRXNPFEDSA-N 0 3 323.396 3.747 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000424582090 1012046387 /nfs/dbraw/zinc/04/63/87/1012046387.db2.gz HNPKZDGVEAEPRB-HNNXBMFYSA-N 0 3 308.491 3.850 20 30 DHEDHN N#CCC[C@H](C#N)CNCCn1c2ccccc2c2ccccc21 ZINC000579767106 1012056871 /nfs/dbraw/zinc/05/68/71/1012056871.db2.gz BZIBXYPGOBCOQI-MRXNPFEDSA-N 0 3 316.408 3.828 20 30 DHEDHN C=CCCCCCCCCC(=O)N1CCC2(CN(C)C2)CC1 ZINC001269810345 1012270964 /nfs/dbraw/zinc/27/09/64/1012270964.db2.gz TZBPMJOYZHWDIH-UHFFFAOYSA-N 0 3 306.494 3.847 20 30 DHEDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000425246614 1012373468 /nfs/dbraw/zinc/37/34/68/1012373468.db2.gz YFSXSYQALVFPNM-CQSZACIVSA-N 0 3 324.403 3.730 20 30 DHEDHN N#Cc1csc(CN2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000514793772 1012436824 /nfs/dbraw/zinc/43/68/24/1012436824.db2.gz QNDUDMMDLFEHNI-OAHLLOKOSA-N 0 3 322.437 3.634 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)c1ccc(F)cc1 ZINC000425531555 1012732193 /nfs/dbraw/zinc/73/21/93/1012732193.db2.gz HRMJFXOJZDUNMU-AWEZNQCLSA-N 0 3 310.372 3.963 20 30 DHEDHN C=CCC[C@@H](NCC(=O)NCc1cccs1)c1ccccc1 ZINC000180043082 1017357792 /nfs/dbraw/zinc/35/77/92/1017357792.db2.gz NLVFXKABHOCKBF-QGZVFWFLSA-N 0 3 314.454 3.661 20 30 DHEDHN CC(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000121872840 1017426151 /nfs/dbraw/zinc/42/61/51/1017426151.db2.gz QOLOTDYWXIGRSZ-CYBMUJFWSA-N 0 3 304.353 3.571 20 30 DHEDHN C=CCOCCCNCc1csc(-c2ccc(OC)cc2)n1 ZINC000657657775 1017683278 /nfs/dbraw/zinc/68/32/78/1017683278.db2.gz BXHHCMGFHYCFCN-UHFFFAOYSA-N 0 3 318.442 3.501 20 30 DHEDHN C=CCCCCCN(C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000523551828 1017728543 /nfs/dbraw/zinc/72/85/43/1017728543.db2.gz GBAGLJJMZQPPQH-OAHLLOKOSA-N 0 3 306.425 3.681 20 30 DHEDHN C=CC[C@@H]1CCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000625700302 1017776996 /nfs/dbraw/zinc/77/69/96/1017776996.db2.gz BAPXGLIMRONXJB-LLVKDONJSA-N 0 3 321.218 3.988 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)CCc1ccccc1 ZINC000182274714 1017888523 /nfs/dbraw/zinc/88/85/23/1017888523.db2.gz BEKUATKZZMTUKP-OAQYLSRUSA-N 0 3 320.436 3.540 20 30 DHEDHN N#Cc1ccc(CN(Cc2ccc3c(c2)CCO3)C2CC2)cc1 ZINC000171921600 1017999578 /nfs/dbraw/zinc/99/95/78/1017999578.db2.gz NXEQYUXJSADEEJ-UHFFFAOYSA-N 0 3 304.393 3.658 20 30 DHEDHN C=CC[C@H]1N(Cc2ccc([S@@](C)=O)cc2)CCCC1(C)C ZINC000446827466 1018260593 /nfs/dbraw/zinc/26/05/93/1018260593.db2.gz ONBHKXHRSCEQPN-DYESRHJHSA-N 0 3 305.487 3.991 20 30 DHEDHN CC[C@H](NCc1cccc(NC(C)=O)c1)c1ccc(C#N)cc1 ZINC000447529089 1018406429 /nfs/dbraw/zinc/40/64/29/1018406429.db2.gz LCPAJOBDRUNESM-IBGZPJMESA-N 0 3 307.397 3.758 20 30 DHEDHN C[C@@H](NCc1ccc(-n2cccn2)cc1)c1cccc(C#N)c1 ZINC000174431105 1018429390 /nfs/dbraw/zinc/42/93/90/1018429390.db2.gz RQJKTYPPMSCRHW-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN CC[C@H](N[C@H](CO)c1sccc1C)c1ccc(C#N)cc1 ZINC000447585351 1018430022 /nfs/dbraw/zinc/43/00/22/1018430022.db2.gz JSPYIABFDZTVEM-JKSUJKDBSA-N 0 3 300.427 3.703 20 30 DHEDHN C[C@@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171593401 1032773245 /nfs/dbraw/zinc/77/32/45/1032773245.db2.gz MUKRKNHRCIXKEC-KKUMJFAQSA-N 0 3 323.481 3.692 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(OC)cc2C)c1 ZINC000921743353 1018736550 /nfs/dbraw/zinc/73/65/50/1018736550.db2.gz QCTXLUFEENMOKX-GOSISDBHSA-N 0 3 324.424 3.974 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OCC)cc2)cc1 ZINC000765332634 1018759099 /nfs/dbraw/zinc/75/90/99/1018759099.db2.gz RTUSRYUGLWRUIP-MRXNPFEDSA-N 0 3 309.409 3.948 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@H](CCCO)c1ccccc1 ZINC000921770067 1018799785 /nfs/dbraw/zinc/79/97/85/1018799785.db2.gz BLXKITRCISNHLW-HXUWFJFHSA-N 0 3 308.425 3.779 20 30 DHEDHN C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)c2c1c(F)ccc2[O-] ZINC000842886772 1018819750 /nfs/dbraw/zinc/81/97/50/1018819750.db2.gz XUXTXLRVQZBUAT-BLLLJJGKSA-N 0 3 310.372 3.935 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cnn(C(C)C)c2)cc1 ZINC000765945600 1018951293 /nfs/dbraw/zinc/95/12/93/1018951293.db2.gz KDHHWSHSHDXAHR-JKSUJKDBSA-N 0 3 311.429 3.888 20 30 DHEDHN Cc1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)c(C)nn1 ZINC000929396462 1019269442 /nfs/dbraw/zinc/26/94/42/1019269442.db2.gz BCMZLAJYSUVDCD-UHFFFAOYSA-N 0 3 308.429 3.623 20 30 DHEDHN C#C[C@@H](NCc1cc(Br)c(Cl)s1)C(C)C ZINC000300881907 1032847075 /nfs/dbraw/zinc/84/70/75/1032847075.db2.gz IZOJYZQHZUBDGY-SNVBAGLBSA-N 0 3 306.656 3.911 20 30 DHEDHN COc1ccc(C(C)=NNC2CCCC2)cc1CN1CCCC1 ZINC000727652141 1019747593 /nfs/dbraw/zinc/74/75/93/1019747593.db2.gz KAAQMFZFCIPZIR-UHFFFAOYSA-N 0 3 315.461 3.547 20 30 DHEDHN COc1cc(C)c([C@H](C)NCc2cccc(C#N)c2)cc1OC ZINC000067690443 1019776834 /nfs/dbraw/zinc/77/68/34/1019776834.db2.gz ZENDPRSJFNGNGC-AWEZNQCLSA-N 0 3 310.397 3.735 20 30 DHEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(Br)cc1F ZINC000671740906 1019881990 /nfs/dbraw/zinc/88/19/90/1019881990.db2.gz WTJRYMDKVJBIBS-ZYHUDNBSSA-N 0 3 316.214 3.566 20 30 DHEDHN C=CCN1CCC(NC(=S)Nc2cccc(C(C)C)c2)CC1 ZINC000729942796 1019926836 /nfs/dbraw/zinc/92/68/36/1019926836.db2.gz SFOOQSUGZFJTEF-UHFFFAOYSA-N 0 3 317.502 3.747 20 30 DHEDHN C=CCN1CCC(NC(=O)/C=C(/C)c2cccc(Cl)c2)CC1 ZINC000255618074 1019998873 /nfs/dbraw/zinc/99/88/73/1019998873.db2.gz NVJMTFSPSKYWSL-OWBHPGMISA-N 0 3 318.848 3.510 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000922586025 1020146563 /nfs/dbraw/zinc/14/65/63/1020146563.db2.gz SZNMQJOMIQTBAT-FQEVSTJZSA-N 0 3 320.440 3.672 20 30 DHEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1nc2c(s1)CCC2 ZINC000922599682 1020154770 /nfs/dbraw/zinc/15/47/70/1020154770.db2.gz JTFVNDSJVWHNSX-UHFFFAOYSA-N 0 3 311.454 3.614 20 30 DHEDHN COc1ccc([C@H]2CCN(Cc3ccc(C#N)cc3F)C2)cc1 ZINC000155254193 1020207553 /nfs/dbraw/zinc/20/75/53/1020207553.db2.gz UCZLRMNBDVHINB-INIZCTEOSA-N 0 3 310.372 3.695 20 30 DHEDHN C=CCOCCCN[C@H](C)c1ccc(F)cc1Br ZINC000658209987 1020225693 /nfs/dbraw/zinc/22/56/93/1020225693.db2.gz MJBNBKVZSSYHMQ-LLVKDONJSA-N 0 3 316.214 3.832 20 30 DHEDHN Cc1ccc(CNCc2ccc(C(C)(C)C#N)cc2)cc1C#N ZINC000922758785 1020252401 /nfs/dbraw/zinc/25/24/01/1020252401.db2.gz ANDCWBWUEZHHIB-UHFFFAOYSA-N 0 3 303.409 3.958 20 30 DHEDHN CCOc1cc(CNCc2ccc(C)c(C#N)c2)ccc1OC ZINC000922760430 1020252739 /nfs/dbraw/zinc/25/27/39/1020252739.db2.gz AJASJTQAQBQEMP-UHFFFAOYSA-N 0 3 310.397 3.564 20 30 DHEDHN C#CCOc1ccc(CN[C@H]2CSCc3ccccc32)cc1 ZINC000733325953 1020372642 /nfs/dbraw/zinc/37/26/42/1020372642.db2.gz ASXWZLRALJZTQO-IBGZPJMESA-N 0 3 309.434 3.776 20 30 DHEDHN C#CCCOc1ccc(CNC2(c3ccc(OC)cc3)CC2)cc1 ZINC000733328423 1020375625 /nfs/dbraw/zinc/37/56/25/1020375625.db2.gz UOUXIHINSUQMOC-UHFFFAOYSA-N 0 3 321.420 3.876 20 30 DHEDHN CCN(Cc1ccc2c(c1)OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000153602762 1020432800 /nfs/dbraw/zinc/43/28/00/1020432800.db2.gz OGGXBQGTYRZISF-AWEZNQCLSA-N 0 3 308.381 3.870 20 30 DHEDHN CC[C@@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171838371 1032903725 /nfs/dbraw/zinc/90/37/25/1032903725.db2.gz WRTICHOYEVLGFL-LSDHHAIUSA-N 0 3 321.465 3.590 20 30 DHEDHN CN(C)/C=N/c1ccc(N[C@H]2CCNc3ccccc32)cc1C#N ZINC001168644031 1020513692 /nfs/dbraw/zinc/51/36/92/1020513692.db2.gz HCGNOGGUPLBLOL-MEGCXXLRSA-N 0 3 319.412 3.748 20 30 DHEDHN C=C(Cl)CN[C@@H]1CCc2cccc(Br)c2C1 ZINC000378865647 1020521088 /nfs/dbraw/zinc/52/10/88/1020521088.db2.gz ZVJMEIYRKHNHOT-LLVKDONJSA-N 0 3 300.627 3.649 20 30 DHEDHN Cc1ccc([C@@H]2CCN(Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000359956765 1020573997 /nfs/dbraw/zinc/57/39/97/1020573997.db2.gz FLSMYYVYVIMHAT-GOSISDBHSA-N 0 3 316.408 3.504 20 30 DHEDHN C=CC[C@H](NCc1ccc(O[C@H](C)C#N)cc1)c1ccncc1 ZINC000734510434 1020617946 /nfs/dbraw/zinc/61/79/46/1020617946.db2.gz VBMZRYFFGPPQOD-BEFAXECRSA-N 0 3 307.397 3.779 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000264420361 1032928478 /nfs/dbraw/zinc/92/84/78/1032928478.db2.gz TYIOVRBXZDKLGZ-UHFFFAOYSA-N 0 3 315.461 3.774 20 30 DHEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)c2c(n1)CCCC2 ZINC000892520687 1020801655 /nfs/dbraw/zinc/80/16/55/1020801655.db2.gz CHXHGYJKJYVZIG-OAHLLOKOSA-N 0 3 305.425 3.991 20 30 DHEDHN O[C@H](C[C@@H]1CCCN1CC#Cc1ccccc1)c1cccs1 ZINC000248886763 1021027252 /nfs/dbraw/zinc/02/72/52/1021027252.db2.gz RBXCPJSMMTWPGD-ZWKOTPCHSA-N 0 3 311.450 3.688 20 30 DHEDHN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[C@H](C)C1 ZINC000452060316 1021131593 /nfs/dbraw/zinc/13/15/93/1021131593.db2.gz DGZUKFIHSLOWNU-GRDNDAEWSA-N 0 3 324.428 3.913 20 30 DHEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000180737466 1021156747 /nfs/dbraw/zinc/15/67/47/1021156747.db2.gz KPYPXMSBMGCNRB-KRWDZBQOSA-N 0 3 318.376 3.681 20 30 DHEDHN C=CCOc1ccc(CNCc2cc(OC)cc(OC)c2)cc1 ZINC000069749456 1021347635 /nfs/dbraw/zinc/34/76/35/1021347635.db2.gz PAOGSPRVTSHQRK-UHFFFAOYSA-N 0 3 313.397 3.558 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)c2ccc(C)o2)cc1 ZINC000744028141 1021405457 /nfs/dbraw/zinc/40/54/57/1021405457.db2.gz HGILXHACUSMWDJ-CZUORRHYSA-N 0 3 324.380 3.602 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2ccc(C)o2)cc1 ZINC000744028137 1021406200 /nfs/dbraw/zinc/40/62/00/1021406200.db2.gz HGILXHACUSMWDJ-BBRMVZONSA-N 0 3 324.380 3.602 20 30 DHEDHN N#CC(C(=O)CCC1CCOCC1)c1ccc2ccccc2n1 ZINC000744015741 1021407794 /nfs/dbraw/zinc/40/77/94/1021407794.db2.gz CBUXNLOMSCHMPG-MRXNPFEDSA-N 0 3 308.381 3.618 20 30 DHEDHN C=CCN(C(=O)NC[C@@H](c1ccsc1)N(CC)CC)C(C)C ZINC000918065682 1021437024 /nfs/dbraw/zinc/43/70/24/1021437024.db2.gz SKVYPHHIMSVYGB-INIZCTEOSA-N 0 3 323.506 3.737 20 30 DHEDHN CCN(Cc1ccc2c(c1)OCO2)[C@@H](C)c1cccc(C#N)c1 ZINC000189781859 1021440417 /nfs/dbraw/zinc/44/04/17/1021440417.db2.gz ZZJVOCAQHUQXFU-AWEZNQCLSA-N 0 3 308.381 3.870 20 30 DHEDHN N#Cc1ccc(CN(CCC(=O)c2ccc(F)cc2)C2CC2)cc1 ZINC000182103167 1021477737 /nfs/dbraw/zinc/47/77/37/1021477737.db2.gz GJAQIOMMOHPPMT-UHFFFAOYSA-N 0 3 322.383 3.935 20 30 DHEDHN C=CCOCCCNCc1c(C)nn(-c2ccccc2)c1Cl ZINC000850378117 1021499204 /nfs/dbraw/zinc/49/92/04/1021499204.db2.gz SNOHYQXGTZAIRQ-UHFFFAOYSA-N 0 3 319.836 3.516 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H]2CCc3ccc(O)cc32)cc1 ZINC000850386965 1021502743 /nfs/dbraw/zinc/50/27/43/1021502743.db2.gz NKVGJVQEVJOMEW-HXUWFJFHSA-N 0 3 307.393 3.571 20 30 DHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1N(C)C ZINC000618803208 1021531164 /nfs/dbraw/zinc/53/11/64/1021531164.db2.gz QQZQFWHGLJSVRC-KUHUBIRLSA-N 0 3 305.425 3.962 20 30 DHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000618805604 1021531542 /nfs/dbraw/zinc/53/15/42/1021531542.db2.gz OTQSNXNVDIGTRH-KPZWWZAWSA-N 0 3 307.353 3.805 20 30 DHEDHN COc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618801836 1021532377 /nfs/dbraw/zinc/53/23/77/1021532377.db2.gz CMPVBBHQXYXQRA-ACJLOTCBSA-N 0 3 322.408 3.914 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc2c(c1)CCCO2 ZINC000850471504 1021555206 /nfs/dbraw/zinc/55/52/06/1021555206.db2.gz BPBQYODJMRMAJZ-CYBMUJFWSA-N 0 3 310.372 3.873 20 30 DHEDHN C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)c2c1c(F)ccc2[O-] ZINC000850486750 1021561002 /nfs/dbraw/zinc/56/10/02/1021561002.db2.gz DBAVZXPMUKZDCA-MLGOLLRUSA-N 0 3 310.372 3.784 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC2(CC2)CC1 ZINC000850738012 1021632040 /nfs/dbraw/zinc/63/20/40/1021632040.db2.gz BDPPRCWLOBPTQQ-CQSZACIVSA-N 0 3 307.397 3.720 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000850738354 1021632117 /nfs/dbraw/zinc/63/21/17/1021632117.db2.gz KCNHFUAYDAXWQH-SOUVJXGZSA-N 0 3 321.424 3.966 20 30 DHEDHN CCCC[C@@](C)(F)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000850739213 1021634278 /nfs/dbraw/zinc/63/42/78/1021634278.db2.gz UGYOEGTZARMFBO-YVEFUNNKSA-N 0 3 301.365 3.668 20 30 DHEDHN CC(C)(CC(F)(F)F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782659 1021651978 /nfs/dbraw/zinc/65/19/78/1021651978.db2.gz PQOJNHCDONHTBH-VIFPVBQESA-N 0 3 310.275 3.983 20 30 DHEDHN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000776515118 1021721617 /nfs/dbraw/zinc/72/16/17/1021721617.db2.gz HENOSEBIZFXDMT-UNEWFSDZSA-N 0 3 320.392 3.923 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(O)c(F)c2)c1 ZINC000892973687 1021752058 /nfs/dbraw/zinc/75/20/58/1021752058.db2.gz VHEHDBAFANJBCJ-OAHLLOKOSA-N 0 3 314.360 3.502 20 30 DHEDHN COc1cc2c(cc1OC)[C@H](N[C@H](C)c1cccc(C#N)c1)CC2 ZINC000619465760 1021764008 /nfs/dbraw/zinc/76/40/08/1021764008.db2.gz YNGBAPISALOCCO-FZKQIMNGSA-N 0 3 322.408 3.914 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000182696394 1021769375 /nfs/dbraw/zinc/76/93/75/1021769375.db2.gz ZEGJVNZSYWRUKX-HZPDHXFCSA-N 0 3 320.364 3.518 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000728711539 1021847945 /nfs/dbraw/zinc/84/79/45/1021847945.db2.gz DRZRJVNJJSPWCP-GJZGRUSLSA-N 0 3 310.397 3.837 20 30 DHEDHN COC(=O)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1C ZINC000893078080 1021874841 /nfs/dbraw/zinc/87/48/41/1021874841.db2.gz QHLBXZRYNZYRMH-CQSZACIVSA-N 0 3 308.381 3.504 20 30 DHEDHN CC1CCC(N(CC(=O)Nc2sccc2C#N)C2CC2)CC1 ZINC000053170362 1022085430 /nfs/dbraw/zinc/08/54/30/1022085430.db2.gz YJPASFLPWUZQND-UHFFFAOYSA-N 0 3 317.458 3.601 20 30 DHEDHN CC[C@@H](C)N(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852291228 1022100303 /nfs/dbraw/zinc/10/03/03/1022100303.db2.gz RUELMCACWWPIGK-OLZOCXBDSA-N 0 3 315.442 3.593 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN2CCCCC2)c1 ZINC000620301889 1022123838 /nfs/dbraw/zinc/12/38/38/1022123838.db2.gz MMCOUJUOHUPMHY-BGYRXZFFSA-N 0 3 324.468 3.996 20 30 DHEDHN N#Cc1ccc([C@H](O)CN(Cc2ccccc2F)CC2CC2)cc1 ZINC000852564077 1022139304 /nfs/dbraw/zinc/13/93/04/1022139304.db2.gz KRDJYCPIIIZTSH-HXUWFJFHSA-N 0 3 324.399 3.643 20 30 DHEDHN C=CCC1(NCc2nnc(-c3cccc(F)c3)o2)CCCC1 ZINC000852588155 1022145274 /nfs/dbraw/zinc/14/52/74/1022145274.db2.gz OMQVJGOOECSJDY-UHFFFAOYSA-N 0 3 301.365 3.854 20 30 DHEDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](CC#N)C3)c2c1 ZINC000853525603 1022286574 /nfs/dbraw/zinc/28/65/74/1022286574.db2.gz GYUIJHNPLWHVGN-AWEZNQCLSA-N 0 3 310.397 3.680 20 30 DHEDHN COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](CC#N)C3)c2c1 ZINC000853525603 1022286586 /nfs/dbraw/zinc/28/65/86/1022286586.db2.gz GYUIJHNPLWHVGN-AWEZNQCLSA-N 0 3 310.397 3.680 20 30 DHEDHN C=C(Cl)CN[C@H](C)c1cc(Br)cc(C)c1O ZINC000309545086 1022292873 /nfs/dbraw/zinc/29/28/73/1022292873.db2.gz GUCIZXGDMOTRQR-SECBINFHSA-N 0 3 304.615 3.866 20 30 DHEDHN C=CCCC(C)(C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000620861587 1022374015 /nfs/dbraw/zinc/37/40/15/1022374015.db2.gz UIVYTFXABIYPKW-UHFFFAOYSA-N 0 3 300.446 3.757 20 30 DHEDHN CC(C)[C@H](C#N)c1ccc(N2CCCc3ccc(CN)nc32)cc1 ZINC001169590231 1022458349 /nfs/dbraw/zinc/45/83/49/1022458349.db2.gz BKLPNEVSBLYUCR-IBGZPJMESA-N 0 3 320.440 3.888 20 30 DHEDHN CCCCCCCN1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001169724188 1022519875 /nfs/dbraw/zinc/51/98/75/1022519875.db2.gz MDJCVNBKKRQIPN-UHFFFAOYSA-N 0 3 308.441 3.927 20 30 DHEDHN COc1cc(C#N)ccc1CN(CCc1ccccc1)C1CC1 ZINC000766895619 1022605833 /nfs/dbraw/zinc/60/58/33/1022605833.db2.gz NTIYDWPPXPHREI-UHFFFAOYSA-N 0 3 306.409 3.774 20 30 DHEDHN C#CCOc1ccc(CNCc2ccccc2COCCC)cc1 ZINC000113324070 1022635564 /nfs/dbraw/zinc/63/55/64/1022635564.db2.gz MHLKINNPEYVEDK-UHFFFAOYSA-N 0 3 323.436 3.915 20 30 DHEDHN Cc1ncc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000417361076 1022704037 /nfs/dbraw/zinc/70/40/37/1022704037.db2.gz IJLMTYMDEXPXCC-DJJJIMSYSA-N 0 3 306.413 3.693 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCOC3(CCC3)C2)c([O-])c1 ZINC000767689773 1022783295 /nfs/dbraw/zinc/78/32/95/1022783295.db2.gz OOJBELVCSVOIED-ZGPWBKFBSA-N 0 3 316.445 3.759 20 30 DHEDHN C#CCOc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000768216229 1022927114 /nfs/dbraw/zinc/92/71/14/1022927114.db2.gz SGMWDILDUUUZDO-UHFFFAOYSA-N 0 3 319.404 3.694 20 30 DHEDHN CCOc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c([O-])c1 ZINC000768257545 1022934416 /nfs/dbraw/zinc/93/44/16/1022934416.db2.gz LUXSGXJPPLUUCP-UHFFFAOYSA-N 0 3 322.408 3.827 20 30 DHEDHN CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c([O-])c1 ZINC000768257545 1022934419 /nfs/dbraw/zinc/93/44/19/1022934419.db2.gz LUXSGXJPPLUUCP-UHFFFAOYSA-N 0 3 322.408 3.827 20 30 DHEDHN C[C@H](CCc1ccc(OC(F)F)cc1)NCC1(C#N)CCC1 ZINC000418140700 1022971978 /nfs/dbraw/zinc/97/19/78/1022971978.db2.gz JZPCRAFMUCOBGZ-CYBMUJFWSA-N 0 3 308.372 3.893 20 30 DHEDHN Cc1ccn2c(CN[C@@H]3CCCc4cc(C#N)ccc43)cnc2c1 ZINC000418148438 1022977840 /nfs/dbraw/zinc/97/78/40/1022977840.db2.gz SUGUFEKQLVDUHB-LJQANCHMSA-N 0 3 316.408 3.682 20 30 DHEDHN C=CCOc1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1 ZINC000768527386 1022980472 /nfs/dbraw/zinc/98/04/72/1022980472.db2.gz WYZDWGFULLLBAI-UHFFFAOYSA-N 0 3 323.436 3.735 20 30 DHEDHN CC(C)N(Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccccn1 ZINC000768926905 1023057889 /nfs/dbraw/zinc/05/78/89/1023057889.db2.gz SDLJHOBDYLGSQY-MRXNPFEDSA-N 0 3 309.413 3.783 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCCC)cc1C ZINC000876607501 1033104590 /nfs/dbraw/zinc/10/45/90/1033104590.db2.gz VHZDVAQKRMEXFQ-CQSZACIVSA-N 0 3 310.825 3.582 20 30 DHEDHN C=CCOCCNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000671191379 1023125635 /nfs/dbraw/zinc/12/56/35/1023125635.db2.gz IVCNVKBLXACLMK-UHFFFAOYSA-N 0 3 308.834 3.756 20 30 DHEDHN C#CCN(Cc1cc(Cl)c(OC)c(OC)c1)C1CCCC1 ZINC000769531736 1023173644 /nfs/dbraw/zinc/17/36/44/1023173644.db2.gz WKZNHGNICUFFSU-UHFFFAOYSA-N 0 3 307.821 3.735 20 30 DHEDHN C=CCCCC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000769936790 1023252230 /nfs/dbraw/zinc/25/22/30/1023252230.db2.gz QDXLJNVSENRLCP-UHFFFAOYSA-N 0 3 314.223 3.609 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC000876667622 1033118573 /nfs/dbraw/zinc/11/85/73/1033118573.db2.gz JFALZLFYKWEECW-UONOGXRCSA-N 0 3 315.244 3.623 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCCC(CC)(CC)C2)CC1 ZINC000660596938 1023341296 /nfs/dbraw/zinc/34/12/96/1023341296.db2.gz JYSAJAGWLLGXCY-UHFFFAOYSA-N 0 3 321.509 3.639 20 30 DHEDHN C=CC[C@@H]1CC[C@H](N[C@@H](CC)c2nnc3n2CCCCC3)C1 ZINC000651695017 1023470736 /nfs/dbraw/zinc/47/07/36/1023470736.db2.gz YONOXQCCELYXFY-PMPSAXMXSA-N 0 3 302.466 3.790 20 30 DHEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)C1 ZINC000651766204 1023529593 /nfs/dbraw/zinc/52/95/93/1023529593.db2.gz ZKKQHXXZICOBOO-NIKGAXFTSA-N 0 3 313.420 3.983 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccco2)cc1 ZINC000772639627 1023575925 /nfs/dbraw/zinc/57/59/25/1023575925.db2.gz JCRBDNFIVJBMIN-CXAGYDPISA-N 0 3 324.380 3.683 20 30 DHEDHN C=CCC1(NCc2nc(-c3ccc(F)c(F)c3)no2)CCCC1 ZINC000661866722 1023788006 /nfs/dbraw/zinc/78/80/06/1023788006.db2.gz UKXPEDZELWVQNH-UHFFFAOYSA-N 0 3 319.355 3.993 20 30 DHEDHN C#CCOc1ccc(CN2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420318 1023790660 /nfs/dbraw/zinc/79/06/60/1023790660.db2.gz GSWRAAXKXDWJON-HNNXBMFYSA-N 0 3 311.347 3.861 20 30 DHEDHN CN(CCOc1ccc(F)cc1Cl)Cc1ccc(C#N)cc1 ZINC000538743141 1033164703 /nfs/dbraw/zinc/16/47/03/1033164703.db2.gz FCCFSLGKIIVAAK-UHFFFAOYSA-N 0 3 318.779 3.862 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC2(CCCC2=O)CC1 ZINC000661956012 1023825450 /nfs/dbraw/zinc/82/54/50/1023825450.db2.gz BTIYRKZFRKGJRF-UHFFFAOYSA-N 0 3 310.441 3.823 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000662082642 1023895725 /nfs/dbraw/zinc/89/57/25/1023895725.db2.gz WQZHICBSESLNTO-XYPHTWIQSA-N 0 3 318.848 3.700 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCCC1CC(OCC)C1 ZINC000788969626 1023955302 /nfs/dbraw/zinc/95/53/02/1023955302.db2.gz LHCVUEJZBVIZHO-UHFFFAOYSA-N 0 3 321.848 3.647 20 30 DHEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)CCCCC1 ZINC000452119853 1023973383 /nfs/dbraw/zinc/97/33/83/1023973383.db2.gz HTEIFLCDNFBNPB-KZNAEPCWSA-N 0 3 318.505 3.702 20 30 DHEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NNCCc1ccccn1 ZINC000789112660 1024002391 /nfs/dbraw/zinc/00/23/91/1024002391.db2.gz IVIPUXWTFITUGN-FUYLSXJYSA-N 0 3 320.440 3.511 20 30 DHEDHN C[C@H](c1ccc(F)c(F)c1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268637199 1024135104 /nfs/dbraw/zinc/13/51/04/1024135104.db2.gz RKRHTBMVIFXOMM-XIKOKIGWSA-N 0 3 316.351 3.563 20 30 DHEDHN C#CCn1ccc(CN(CC)[C@H]2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000789759217 1024159376 /nfs/dbraw/zinc/15/93/76/1024159376.db2.gz QGXQQLSNNZWPNU-LEWJYISDSA-N 0 3 321.468 3.849 20 30 DHEDHN COc1cccc(C[C@@H]2CCCN2Cc2ccc(F)c(C#N)c2)c1 ZINC000531580121 1024229598 /nfs/dbraw/zinc/22/95/98/1024229598.db2.gz BTOSQDMCHOZWNP-SFHVURJKSA-N 0 3 324.399 3.913 20 30 DHEDHN C=CCCC[C@@H](NC[C@H]1CCCCS1(=O)=O)c1ccccc1 ZINC000883216338 1024294619 /nfs/dbraw/zinc/29/46/19/1024294619.db2.gz OLYJBGZDCDCVMY-QZTJIDSGSA-N 0 3 321.486 3.641 20 30 DHEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nnc(CC)s1 ZINC000883223141 1024298342 /nfs/dbraw/zinc/29/83/42/1024298342.db2.gz JCGZPVFVGJJBBO-HNNXBMFYSA-N 0 3 301.459 3.768 20 30 DHEDHN C=CCc1cc(CN(C)Cc2ccn(CC)c2)c(O)c(OC)c1 ZINC000790451759 1024304560 /nfs/dbraw/zinc/30/45/60/1024304560.db2.gz QRSQWTVIBSCWMY-UHFFFAOYSA-N 0 3 314.429 3.583 20 30 DHEDHN C=CCCc1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000453248418 1024425934 /nfs/dbraw/zinc/42/59/34/1024425934.db2.gz RAHSAUQLYSUMIJ-OAHLLOKOSA-N 0 3 315.392 3.707 20 30 DHEDHN C=C[C@@H](COC)N[C@@H](CC)c1cc(F)cc(Br)c1 ZINC001320427931 1024452938 /nfs/dbraw/zinc/45/29/38/1024452938.db2.gz NVDZLSWZYNWWCG-KBPBESRZSA-N 0 3 316.214 3.830 20 30 DHEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1nc(C(F)(F)F)cs1 ZINC000453298209 1024447061 /nfs/dbraw/zinc/44/70/61/1024447061.db2.gz XEQMEWNLERUFOW-UTLUCORTSA-N 0 3 303.353 3.895 20 30 DHEDHN C=CCC1(CN[C@@H](c2cn[nH]n2)c2ccc(F)cc2)CCCC1 ZINC000453348530 1024473614 /nfs/dbraw/zinc/47/36/14/1024473614.db2.gz FREHNBGJUYGQOZ-QGZVFWFLSA-N 0 3 314.408 3.759 20 30 DHEDHN CN(Cc1ccc(Br)c(F)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339126670 1024570729 /nfs/dbraw/zinc/57/07/29/1024570729.db2.gz SVVGVJHLGDYZQQ-ZYHUDNBSSA-N 0 3 311.198 3.712 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cccc3ccsc32)CC1 ZINC000274378148 1024575307 /nfs/dbraw/zinc/57/53/07/1024575307.db2.gz YDSGPTUAAPXCMQ-UHFFFAOYSA-N 0 3 314.454 3.672 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2ccc(O)cc21 ZINC000585726471 1024577601 /nfs/dbraw/zinc/57/76/01/1024577601.db2.gz ASCCLGFDVMSXTE-VQTJNVASSA-N 0 3 304.393 3.918 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2csc3ccccc23)CC1 ZINC000106037674 1024590942 /nfs/dbraw/zinc/59/09/42/1024590942.db2.gz ZQSFYRFXMFXTDQ-UHFFFAOYSA-N 0 3 314.454 3.672 20 30 DHEDHN C[C@H](CCCC#N)N1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001172497176 1033224818 /nfs/dbraw/zinc/22/48/18/1033224818.db2.gz ZGMHUESGAFMEKN-QXCFHYIPSA-N 0 3 320.477 3.507 20 30 DHEDHN COC1(C(=O)C(C#N)c2nccc3ccccc32)CCCCC1 ZINC000792099207 1024624382 /nfs/dbraw/zinc/62/43/82/1024624382.db2.gz GPUPXDZIYXNWDI-MRXNPFEDSA-N 0 3 308.381 3.760 20 30 DHEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)c1nccc2ccccc21 ZINC000792106491 1024625855 /nfs/dbraw/zinc/62/58/55/1024625855.db2.gz RMYKVABLMPMKGV-DOTOQJQBSA-N 0 3 308.381 3.760 20 30 DHEDHN N#CC(C(=O)CC[C@H]1CCCCO1)c1nccc2ccccc21 ZINC000792106494 1024626094 /nfs/dbraw/zinc/62/60/94/1024626094.db2.gz RMYKVABLMPMKGV-WBVHZDCISA-N 0 3 308.381 3.760 20 30 DHEDHN N#CC(C(=O)C=C(C1CC1)C1CC1)c1cnc2ccccc2n1 ZINC000792113413 1024627783 /nfs/dbraw/zinc/62/77/83/1024627783.db2.gz HNPHVDSEQXPDJN-OAHLLOKOSA-N 0 3 303.365 3.552 20 30 DHEDHN N#CC(C(=O)CCc1cscn1)c1nccc2ccccc21 ZINC000792094970 1024631123 /nfs/dbraw/zinc/63/11/23/1024631123.db2.gz REAWZMJWBWJDGE-HNNXBMFYSA-N 0 3 307.378 3.500 20 30 DHEDHN C#C[C@H]1CC[C@H](N[C@@H](C)c2nc(Br)cs2)CC1 ZINC000872139111 1024697947 /nfs/dbraw/zinc/69/79/47/1024697947.db2.gz GGLXOEXKCIAVCT-DCAQKATOSA-N 0 3 313.264 3.748 20 30 DHEDHN C#C[C@H]1CC[C@H](N[C@@H](C)c2ncc(Br)s2)CC1 ZINC000872140834 1024698665 /nfs/dbraw/zinc/69/86/65/1024698665.db2.gz ZYQCPBLEJWDJPQ-DCAQKATOSA-N 0 3 313.264 3.748 20 30 DHEDHN C[C@H](C#N)CN[C@@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000224246304 1024728658 /nfs/dbraw/zinc/72/86/58/1024728658.db2.gz KFACPPYWLIXTGK-PMPSAXMXSA-N 0 3 323.481 3.694 20 30 DHEDHN CC(C)(S)CNc1ccnc2ccc(C(F)(F)F)cc21 ZINC001170306021 1024736716 /nfs/dbraw/zinc/73/67/16/1024736716.db2.gz LMTZBEDCAZIYSA-UHFFFAOYSA-N 0 3 300.349 3.796 20 30 DHEDHN Cc1ccc(CN(C)CCOCc2ccc(C#N)cc2)cc1F ZINC000571328637 1024788767 /nfs/dbraw/zinc/78/87/67/1024788767.db2.gz PAWKAOVTHKFVRG-UHFFFAOYSA-N 0 3 312.388 3.654 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc3c(c2)CCO3)cc1 ZINC000897419252 1024793272 /nfs/dbraw/zinc/79/32/72/1024793272.db2.gz ACAQOXJIDYAUNX-HUUCEWRRSA-N 0 3 322.408 3.763 20 30 DHEDHN CCCCCCCC[C@H](CC)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001172505501 1033234619 /nfs/dbraw/zinc/23/46/19/1033234619.db2.gz OEVHIHLYDQCHJI-JKSUJKDBSA-N 0 3 303.512 3.635 20 30 DHEDHN C[C@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)C(C)(C)C1 ZINC000350181887 1024799090 /nfs/dbraw/zinc/79/90/90/1024799090.db2.gz UBFOPPJUSQFFEM-OAHLLOKOSA-N 0 3 323.440 3.858 20 30 DHEDHN C[C@H](CCCC#N)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC001172507268 1033235966 /nfs/dbraw/zinc/23/59/66/1033235966.db2.gz RNGGFJRPFFZNNF-OAHLLOKOSA-N 0 3 312.413 3.569 20 30 DHEDHN C[C@@]12CCN(Cc3ccc(CC#N)cc3)C[C@@H]1C2(Cl)Cl ZINC000792895995 1024826284 /nfs/dbraw/zinc/82/62/84/1024826284.db2.gz BZWXSIPPYCVPRW-LSDHHAIUSA-N 0 3 309.240 3.768 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](CCCO)c1ccccc1)CC2 ZINC000353265522 1025010480 /nfs/dbraw/zinc/01/04/80/1025010480.db2.gz YOMATVLAAOUEEL-WOJBJXKFSA-N 0 3 306.409 3.649 20 30 DHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2n[nH]cc2c1 ZINC000353592426 1025144738 /nfs/dbraw/zinc/14/47/38/1025144738.db2.gz AVTFBSOPPCOYJH-BUXKBTBVSA-N 0 3 302.381 3.773 20 30 DHEDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C#N)o2)C12CCCCC2 ZINC000353668689 1025191453 /nfs/dbraw/zinc/19/14/53/1025191453.db2.gz ZHYKQBUCOYWHOR-IRXDYDNUSA-N 0 3 302.418 3.711 20 30 DHEDHN COc1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1O ZINC000353913734 1025287530 /nfs/dbraw/zinc/28/75/30/1025287530.db2.gz IYVCMIZSFYNXOP-QGZVFWFLSA-N 0 3 310.397 3.926 20 30 DHEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1coc2ccccc12 ZINC001275288758 1025295869 /nfs/dbraw/zinc/29/58/69/1025295869.db2.gz QCWAUMJPYCCFRD-HXUWFJFHSA-N 0 3 324.424 3.576 20 30 DHEDHN N#Cc1csc(CN[C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000354010824 1025318516 /nfs/dbraw/zinc/31/85/16/1025318516.db2.gz SFMPFOOENJIAJZ-QGZVFWFLSA-N 0 3 312.438 3.613 20 30 DHEDHN C=CCN(CCOC)Cc1ccc(OCc2ccccc2)cc1 ZINC001307736634 1025325880 /nfs/dbraw/zinc/32/58/80/1025325880.db2.gz OMEBICRGICIEGG-UHFFFAOYSA-N 0 3 311.425 3.900 20 30 DHEDHN COc1cc(CN2CC[C@H](c3ccccc3F)C2)ccc1C#N ZINC000354122120 1025361807 /nfs/dbraw/zinc/36/18/07/1025361807.db2.gz XUPHVJGODDLBLB-INIZCTEOSA-N 0 3 310.372 3.695 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(COC(C)C)cc2)n1 ZINC000041517746 1025408796 /nfs/dbraw/zinc/40/87/96/1025408796.db2.gz MASZIMHYKCJDCQ-HNNXBMFYSA-N 0 3 314.410 3.867 20 30 DHEDHN N#CC1(C[C@@H](O)CN2CCC[C@H]2c2ccccc2Cl)CCC1 ZINC000885961058 1025420106 /nfs/dbraw/zinc/42/01/06/1025420106.db2.gz TZJSAAGVXRRBRJ-PBHICJAKSA-N 0 3 318.848 3.922 20 30 DHEDHN C=C[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000136583104 1025469040 /nfs/dbraw/zinc/46/90/40/1025469040.db2.gz DEAGEAFUDJZVBR-CRAIPNDOSA-N 0 3 324.424 3.504 20 30 DHEDHN C=CCOc1ccc(CN2CCCO[C@H](C(C)C)C2)cc1OC ZINC000354788496 1025505104 /nfs/dbraw/zinc/50/51/04/1025505104.db2.gz HAMXAZPXPGZHPU-IBGZPJMESA-N 0 3 319.445 3.507 20 30 DHEDHN C[C@@H](NC[C@H]1CCC2(CCC2)CO1)c1ccc(C#N)cc1F ZINC000886125359 1025520399 /nfs/dbraw/zinc/52/03/99/1025520399.db2.gz PHMQFWJXRDTFHI-UKRRQHHQSA-N 0 3 302.393 3.697 20 30 DHEDHN C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(OCC#N)cc2)C1 ZINC000805750187 1025658108 /nfs/dbraw/zinc/65/81/08/1025658108.db2.gz XVBFFOCOADQIIN-HNAYVOBHSA-N 0 3 307.397 3.567 20 30 DHEDHN CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000048812244 1025678036 /nfs/dbraw/zinc/67/80/36/1025678036.db2.gz CGGUVGALKLBZLC-UHFFFAOYSA-N 0 3 302.324 3.792 20 30 DHEDHN CCOc1cccc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000236949622 1025806280 /nfs/dbraw/zinc/80/62/80/1025806280.db2.gz SCOQTSCFDYMKOT-OAHLLOKOSA-N 0 3 310.397 3.666 20 30 DHEDHN CN(CCCSCC#N)Cc1csc(Br)c1 ZINC000074989110 1025829125 /nfs/dbraw/zinc/82/91/25/1025829125.db2.gz FRJWJKMXOVATOX-UHFFFAOYSA-N 0 3 319.293 3.589 20 30 DHEDHN CCc1cccc(CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000178717008 1025924298 /nfs/dbraw/zinc/92/42/98/1025924298.db2.gz SADQVRRFPORKTG-HNNXBMFYSA-N 0 3 304.349 3.809 20 30 DHEDHN N#CC1(CCN(CCCO)Cc2ccccc2)CCCCC1 ZINC000411329235 1025952238 /nfs/dbraw/zinc/95/22/38/1025952238.db2.gz QXAVRIUISAOPQH-UHFFFAOYSA-N 0 3 300.446 3.735 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000237604546 1026017682 /nfs/dbraw/zinc/01/76/82/1026017682.db2.gz CDMJUBHLGWPAQB-DNVCBOLYSA-N 0 3 322.408 3.981 20 30 DHEDHN C[C@@H](c1ccco1)N(CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000086234968 1026018033 /nfs/dbraw/zinc/01/80/33/1026018033.db2.gz LXGPURWJHQWKJG-AWEZNQCLSA-N 0 3 323.396 3.705 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CCC)C(C)(C)C)CC1 ZINC000454458023 1026099210 /nfs/dbraw/zinc/09/92/10/1026099210.db2.gz FEAYKJDHLBZOBM-INIZCTEOSA-N 0 3 309.498 3.541 20 30 DHEDHN C[C@H]1[C@@H](C)N(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000419391700 1026350270 /nfs/dbraw/zinc/35/02/70/1026350270.db2.gz KCDXQGBJABBCHQ-BZUAXINKSA-N 0 3 323.440 3.714 20 30 DHEDHN CN(Cc1ccc(OCC#N)cc1)Cc1cccc(Cl)c1 ZINC000729266674 1026404983 /nfs/dbraw/zinc/40/49/83/1026404983.db2.gz BWNLXBPIYGQERA-UHFFFAOYSA-N 0 3 300.789 3.874 20 30 DHEDHN C[C@H](NCC#Cc1ccccc1Cl)c1ccc2n[nH]cc2c1 ZINC000513177756 1026459834 /nfs/dbraw/zinc/45/98/34/1026459834.db2.gz IUHODXHWVIUMQP-ZDUSSCGKSA-N 0 3 309.800 3.919 20 30 DHEDHN C[C@H](NCC#Cc1cccc(Cl)c1)c1ccc2n[nH]cc2c1 ZINC000513405223 1026498316 /nfs/dbraw/zinc/49/83/16/1026498316.db2.gz FOAJUTIJQYUJIQ-ZDUSSCGKSA-N 0 3 309.800 3.919 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(O[C@@H](C#N)CC)c2)cc1 ZINC000809620209 1026566626 /nfs/dbraw/zinc/56/66/26/1026566626.db2.gz DRDKISYDXYXWAX-LJQANCHMSA-N 0 3 304.393 3.639 20 30 DHEDHN C#Cc1ccc(CN(CCCO)Cc2cccc(Cl)c2)cc1 ZINC000809594949 1026570525 /nfs/dbraw/zinc/57/05/25/1026570525.db2.gz DDFISFDBBFNQOQ-UHFFFAOYSA-N 0 3 313.828 3.706 20 30 DHEDHN C#C[C@@H](NCc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(C)C ZINC000809685788 1026593720 /nfs/dbraw/zinc/59/37/20/1026593720.db2.gz QVJNBBWASCGUBF-MRXNPFEDSA-N 0 3 321.346 3.639 20 30 DHEDHN C#C[C@@H](NCc1cn(C)nc1-c1cc2ccccc2o1)C(C)C ZINC000809685270 1026593776 /nfs/dbraw/zinc/59/37/76/1026593776.db2.gz KRAUCTFOYAYURA-MRXNPFEDSA-N 0 3 307.397 3.581 20 30 DHEDHN C#CCCOc1ccc(CN2CCC[C@H]2c2cccnc2)cc1 ZINC000809729697 1026595353 /nfs/dbraw/zinc/59/53/53/1026595353.db2.gz XEAJJVHPZCFWFC-FQEVSTJZSA-N 0 3 306.409 3.821 20 30 DHEDHN C#C[C@@H](NCc1ccc(OCc2ccncc2)cc1)C(C)(C)C ZINC000809783292 1026624540 /nfs/dbraw/zinc/62/45/40/1026624540.db2.gz XLJGEIVWLPHSQX-LJQANCHMSA-N 0 3 308.425 3.798 20 30 DHEDHN N#Cc1csc(CN[C@H]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000810147029 1026693119 /nfs/dbraw/zinc/69/31/19/1026693119.db2.gz ZGKJWZWHGLEGHB-CABCVRRESA-N 0 3 301.390 3.580 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(-c2cccs2)n1 ZINC000280696309 1026693672 /nfs/dbraw/zinc/69/36/72/1026693672.db2.gz SASRTQDVLCCJJI-WFASDCNBSA-N 0 3 320.483 3.942 20 30 DHEDHN CN(C)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cc1F ZINC000810214708 1026708028 /nfs/dbraw/zinc/70/80/28/1026708028.db2.gz GXACTVUEMRGKAC-SFHVURJKSA-N 0 3 309.388 3.540 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420956418 1026893811 /nfs/dbraw/zinc/89/38/11/1026893811.db2.gz YEEZTAABHOXVEE-ZDUSSCGKSA-N 0 3 312.335 3.601 20 30 DHEDHN C=CCOc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000414488625 1026913424 /nfs/dbraw/zinc/91/34/24/1026913424.db2.gz RJBMTSTZMQQPIG-ICSRJNTNSA-N 0 3 309.409 3.559 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CCCc2nccs2)c([O-])c1 ZINC000811625584 1027038593 /nfs/dbraw/zinc/03/85/93/1027038593.db2.gz PZCROSZIBDEIHY-QGOAFFKASA-N 0 3 317.458 3.747 20 30 DHEDHN COc1ccc2c(c1)nccc2NCc1ccc(C#N)c(OC)c1 ZINC000811854100 1027107874 /nfs/dbraw/zinc/10/78/74/1027107874.db2.gz QQPPVCGCSNFHLE-UHFFFAOYSA-N 0 3 319.364 3.736 20 30 DHEDHN C=CCSc1ccccc1C(=O)NCCN1CCCC[C@@H]1C ZINC000362388360 1027178448 /nfs/dbraw/zinc/17/84/48/1027178448.db2.gz GDABIWDOSRISFZ-HNNXBMFYSA-N 0 3 318.486 3.569 20 30 DHEDHN N#CC1(CCCCN2CCO[C@H](C(F)(F)F)CC2)CCC1 ZINC000931620946 1027192634 /nfs/dbraw/zinc/19/26/34/1027192634.db2.gz SPKFTCIDVYEJJX-ZDUSSCGKSA-N 0 3 304.356 3.504 20 30 DHEDHN C=CCCC[C@H](NCc1[nH]nc2c1COCC2)c1ccccc1 ZINC000931694966 1027217099 /nfs/dbraw/zinc/21/70/99/1027217099.db2.gz PWVMPEGNYJQLRU-KRWDZBQOSA-N 0 3 311.429 3.670 20 30 DHEDHN C=CCc1cc(CN2CC(C)(C)[C@H]2C2CC2)cc(OC)c1O ZINC000562206404 1027294336 /nfs/dbraw/zinc/29/43/36/1027294336.db2.gz XELNOEYGVDNVLW-GOSISDBHSA-N 0 3 301.430 3.750 20 30 DHEDHN Clc1ccccc1C#CCN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000573840348 1027332052 /nfs/dbraw/zinc/33/20/52/1027332052.db2.gz UZXKQJBZNIGSPP-AEFFLSMTSA-N 0 3 303.833 3.583 20 30 DHEDHN Cc1cc(CC#N)ccc1-n1c(-c2ccccc2)cnc1[C@H](C)N ZINC001170686084 1027383775 /nfs/dbraw/zinc/38/37/75/1027383775.db2.gz NCUMYTRGWIXIAV-HNNXBMFYSA-N 0 3 316.408 3.934 20 30 DHEDHN CCN(Cc1cc(C#N)ccc1OC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849789 1027445725 /nfs/dbraw/zinc/44/57/25/1027445725.db2.gz JPHFFJRGEPYOOG-QRWLVFNGSA-N 0 3 324.424 3.511 20 30 DHEDHN Cc1cc(CN(Cc2ccc(C#N)cc2)C2CC2)ccc1C#N ZINC000362936016 1027453823 /nfs/dbraw/zinc/45/38/23/1027453823.db2.gz SIQMWCDSMOJGOU-UHFFFAOYSA-N 0 3 301.393 3.903 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)CCCN2)c1ccc(C#N)c(F)c1 ZINC000423437579 1027551271 /nfs/dbraw/zinc/55/12/71/1027551271.db2.gz GHVZJZYAQRZFBC-CYBMUJFWSA-N 0 3 309.388 3.906 20 30 DHEDHN CC(C)(C#N)CCCN1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000363306641 1027590605 /nfs/dbraw/zinc/59/06/05/1027590605.db2.gz JSZAIAKNFCACFU-SFHVURJKSA-N 0 3 308.429 3.618 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(F)F)cc2)CC1 ZINC000933110029 1027678780 /nfs/dbraw/zinc/67/87/80/1027678780.db2.gz SOZQYGSIRBMPRY-UHFFFAOYSA-N 0 3 323.387 3.786 20 30 DHEDHN COc1ccc(CNCc2ccc3c(c2)CCCC3)cc1C#N ZINC000813773611 1027708604 /nfs/dbraw/zinc/70/86/04/1027708604.db2.gz ACJCDYORTLFTQO-UHFFFAOYSA-N 0 3 306.409 3.735 20 30 DHEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000600683168 1027784318 /nfs/dbraw/zinc/78/43/18/1027784318.db2.gz OFRWAZKUGPCJFD-UONOGXRCSA-N 0 3 320.864 3.804 20 30 DHEDHN O[C@@]1(c2ccccc2)CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000365978966 1028036314 /nfs/dbraw/zinc/03/63/14/1028036314.db2.gz MPTXHXGCHJDJIA-NRFANRHFSA-N 0 3 323.411 3.551 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2[nH]c(=O)oc2c1 ZINC000601305402 1028071304 /nfs/dbraw/zinc/07/13/04/1028071304.db2.gz VDQWABKYDPVVSV-BDJLRTHQSA-N 0 3 319.364 3.743 20 30 DHEDHN C=CCCC[C@H](C(=O)NC[C@@H]1CCCCN1C)c1ccccc1 ZINC001134555744 1028159711 /nfs/dbraw/zinc/15/97/11/1028159711.db2.gz CPPGOZZRISWVPP-OALUTQOASA-N 0 3 314.473 3.727 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000779085462 1028207664 /nfs/dbraw/zinc/20/76/64/1028207664.db2.gz NXZKINQKHVZVRO-INIZCTEOSA-N 0 3 314.360 3.502 20 30 DHEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000368131563 1028306444 /nfs/dbraw/zinc/30/64/44/1028306444.db2.gz ASDGYJWVNRJHNH-ACJLOTCBSA-N 0 3 324.428 3.655 20 30 DHEDHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000579409475 1028403715 /nfs/dbraw/zinc/40/37/15/1028403715.db2.gz SVGHIUKGLHJLNH-DNVCBOLYSA-N 0 3 316.408 3.789 20 30 DHEDHN CCCOC1(CNCc2ccc(C#N)cc2F)CCCCC1 ZINC000564757724 1028498175 /nfs/dbraw/zinc/49/81/75/1028498175.db2.gz YNFBSOQZXRJGKN-UHFFFAOYSA-N 0 3 304.409 3.916 20 30 DHEDHN Cc1ccc2cc(CNCc3ccc(OCC#N)cc3)ccc2n1 ZINC000189322646 1028570753 /nfs/dbraw/zinc/57/07/53/1028570753.db2.gz YRBDCKVDGBBXGM-UHFFFAOYSA-N 0 3 317.392 3.735 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@](C)(COC)C2)cc1Cl ZINC000449391385 1028609983 /nfs/dbraw/zinc/60/99/83/1028609983.db2.gz IEIBMBWIHFSQPI-QGZVFWFLSA-N 0 3 309.837 3.763 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)cc1 ZINC000815909924 1028646397 /nfs/dbraw/zinc/64/63/97/1028646397.db2.gz LBGSKBJLHKTRCG-CZUORRHYSA-N 0 3 323.396 3.541 20 30 DHEDHN COc1cc2c(cc1OC)[C@@H](C)N(CCCC#N)C[C@H](C)C2 ZINC000371361413 1028695752 /nfs/dbraw/zinc/69/57/52/1028695752.db2.gz RLODBWXZRZMAFD-ZIAGYGMSSA-N 0 3 302.418 3.563 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@@H](OC)[C@@H](C)C2)ccc1OC ZINC000449495842 1028705925 /nfs/dbraw/zinc/70/59/25/1028705925.db2.gz IJNRHFVSILSJBS-DOTOQJQBSA-N 0 3 319.445 3.507 20 30 DHEDHN N#CC(C(=O)CCCc1c[nH]c2ccccc12)c1ccccn1 ZINC000041493629 1028735510 /nfs/dbraw/zinc/73/55/10/1028735510.db2.gz GTYZJPBZZHXDBU-MRXNPFEDSA-N 0 3 303.365 3.762 20 30 DHEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000076826087 1028736650 /nfs/dbraw/zinc/73/66/50/1028736650.db2.gz GWXCLAKZOKBNCD-RDJZCZTQSA-N 0 3 314.429 3.618 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2c(F)cccc2F)o1 ZINC000449518418 1028744680 /nfs/dbraw/zinc/74/46/80/1028744680.db2.gz JPHVMQDVZNDCAT-CABCVRRESA-N 0 3 305.324 3.658 20 30 DHEDHN CCC#C[C@H](C)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000752853593 1028795408 /nfs/dbraw/zinc/79/54/08/1028795408.db2.gz CUFLXVAHOBVLRS-KBXCAEBGSA-N 0 3 305.849 3.887 20 30 DHEDHN N#CC(C(=O)C[C@H]1C=CCCC1)C(=O)Nc1ccccc1Cl ZINC000778606571 1028946734 /nfs/dbraw/zinc/94/67/34/1028946734.db2.gz YXRCQTKAOOQOCH-QWHCGFSZSA-N 0 3 316.788 3.734 20 30 DHEDHN C#Cc1ccc(CN[C@H](C)c2ccc(-n3cccn3)c(F)c2)cc1 ZINC000816641779 1028969954 /nfs/dbraw/zinc/96/99/54/1028969954.db2.gz GFOWTAYKTZNJOJ-OAHLLOKOSA-N 0 3 319.383 3.844 20 30 DHEDHN C[C@@H]1[C@@H](C)CN1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000816647782 1028977986 /nfs/dbraw/zinc/97/79/86/1028977986.db2.gz YAYDEQNEWCLTFL-JKSUJKDBSA-N 0 3 306.409 3.977 20 30 DHEDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCC1(C#N)CCCCC1 ZINC000411306100 1029093727 /nfs/dbraw/zinc/09/37/27/1029093727.db2.gz LCALYAKKHGTKCA-ROUUACIJSA-N 0 3 319.493 3.572 20 30 DHEDHN N#CC1(CCN2CCCC[C@H]2[C@@H](O)C(F)(F)F)CCCCC1 ZINC000411420585 1029125375 /nfs/dbraw/zinc/12/53/75/1029125375.db2.gz QQTBVTIJCKKOSC-UONOGXRCSA-N 0 3 318.383 3.628 20 30 DHEDHN Cc1cccc(C(=O)C(C#N)c2cnc3ccccc3n2)c1C ZINC000190909846 1029208200 /nfs/dbraw/zinc/20/82/00/1029208200.db2.gz AMMMXYRCNYOKGB-OAHLLOKOSA-N 0 3 301.349 3.737 20 30 DHEDHN N#CC(C(=O)c1ccc(Cl)cc1)c1cnc2ccccc2n1 ZINC000190941687 1029218268 /nfs/dbraw/zinc/21/82/68/1029218268.db2.gz YOBLREDYAGPMBP-ZDUSSCGKSA-N 0 3 307.740 3.773 20 30 DHEDHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CCCC1 ZINC000450278443 1029325123 /nfs/dbraw/zinc/32/51/23/1029325123.db2.gz RTPVMMCNZYNLMM-ZWKOTPCHSA-N 0 3 312.457 3.685 20 30 DHEDHN C=CC1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412100619 1029325711 /nfs/dbraw/zinc/32/57/11/1029325711.db2.gz SPCJDURAYFFCFP-UHFFFAOYSA-N 0 3 312.457 3.711 20 30 DHEDHN CC(C)OCc1ccccc1CNCc1cc(C#N)cs1 ZINC000530640653 1029947131 /nfs/dbraw/zinc/94/71/31/1029947131.db2.gz NCFSOKOSAUICTM-UHFFFAOYSA-N 0 3 300.427 3.835 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000865787336 1030025892 /nfs/dbraw/zinc/02/58/92/1030025892.db2.gz MGCKGCWGNLZYEF-UHFFFAOYSA-N 0 3 324.380 3.595 20 30 DHEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ccnc(Cl)c1Cl)C2 ZINC000865847243 1030057336 /nfs/dbraw/zinc/05/73/36/1030057336.db2.gz JFUMKIGQPKOVAL-AWEZNQCLSA-N 0 3 318.207 3.517 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H]2CCCc3ncccc32)c1 ZINC000866297446 1030211060 /nfs/dbraw/zinc/21/10/60/1030211060.db2.gz JPEMPZVKZFCCCC-JXFKEZNVSA-N 0 3 321.424 3.930 20 30 DHEDHN C=C(C)COCCN[C@@H](CCc1ccccc1)c1ccccn1 ZINC000866306464 1030217971 /nfs/dbraw/zinc/21/79/71/1030217971.db2.gz RVANFLLVZZWGQY-FQEVSTJZSA-N 0 3 310.441 3.938 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc3c2CCOC3)cc1 ZINC000866479171 1030315585 /nfs/dbraw/zinc/31/55/85/1030315585.db2.gz PWERHNGCVLQCPR-MRXNPFEDSA-N 0 3 321.420 3.622 20 30 DHEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C12CCCCC2 ZINC000533446176 1030367504 /nfs/dbraw/zinc/36/75/04/1030367504.db2.gz OCHZBGDJOLWBNK-MSOLQXFVSA-N 0 3 316.420 3.915 20 30 DHEDHN C[C@@H](NC[C@H]1c2ccccc2CN1C)c1ccc(C#N)cc1F ZINC000866563950 1030375249 /nfs/dbraw/zinc/37/52/49/1030375249.db2.gz QHDMPPGBAFJKCS-YJYMSZOUSA-N 0 3 309.388 3.535 20 30 DHEDHN C=CCN(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000558108672 1030424961 /nfs/dbraw/zinc/42/49/61/1030424961.db2.gz YLKCFOLQSSXXMU-MRXNPFEDSA-N 0 3 323.868 3.550 20 30 DHEDHN N#CC(C(=O)CC/C=C/c1ccccc1)C(=O)NC1CCCCC1 ZINC000121673204 1030460169 /nfs/dbraw/zinc/46/01/69/1030460169.db2.gz WQSIIWHIRLPOQH-DBEXCURXSA-N 0 3 324.424 3.638 20 30 DHEDHN CN(CCCC#N)CCOc1ccc(OCc2ccccc2)cc1 ZINC000358468388 1030500056 /nfs/dbraw/zinc/50/00/56/1030500056.db2.gz NKDXIQDXRQVVGQ-UHFFFAOYSA-N 0 3 324.424 3.880 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OCC3CC3)cc2)n1 ZINC000066504236 1030514316 /nfs/dbraw/zinc/51/43/16/1030514316.db2.gz ZHEFEPLWVZTHNH-OAHLLOKOSA-N 0 3 312.394 3.730 20 30 DHEDHN C[C@@H](NC[C@@H](c1cccs1)N(C)C)c1ccc(C#N)cc1F ZINC000358576333 1030544714 /nfs/dbraw/zinc/54/47/14/1030544714.db2.gz TYSARGZORNSXOS-WBMJQRKESA-N 0 3 317.433 3.712 20 30 DHEDHN C=CCC1(NCc2ncc(C3OCCO3)s2)CCCCC1 ZINC000825024615 1030699269 /nfs/dbraw/zinc/69/92/69/1030699269.db2.gz RUDCHOUTMDBABS-UHFFFAOYSA-N 0 3 308.447 3.557 20 30 DHEDHN COCCCON=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000795054760 1030709809 /nfs/dbraw/zinc/70/98/09/1030709809.db2.gz BPGMZERZHZHSLT-UHFFFAOYSA-N 0 3 304.434 3.844 20 30 DHEDHN COc1ncc(CN2CCC(c3cccc(C#N)c3)CC2)cc1C ZINC001137004584 1030746670 /nfs/dbraw/zinc/74/66/70/1030746670.db2.gz FSFGYFWZDZJSSF-UHFFFAOYSA-N 0 3 321.424 3.650 20 30 DHEDHN C#Cc1cccc(CNCc2ccc(OC)c(COCC)c2)c1 ZINC000825226794 1030753130 /nfs/dbraw/zinc/75/31/30/1030753130.db2.gz MBAHZKRHJKDAPX-UHFFFAOYSA-N 0 3 309.409 3.503 20 30 DHEDHN C=C[C@@H](CC)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805909083 1030927354 /nfs/dbraw/zinc/92/73/54/1030927354.db2.gz NWHRXWPWLXIFPE-KRWDZBQOSA-N 0 3 301.430 3.797 20 30 DHEDHN C=C[C@H](CC)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805909084 1030927683 /nfs/dbraw/zinc/92/76/83/1030927683.db2.gz NWHRXWPWLXIFPE-QGZVFWFLSA-N 0 3 301.430 3.797 20 30 DHEDHN N#CC1(CN[C@@H](Cc2ccccc2)Cc2cccnc2)CCCC1 ZINC000926878652 1030964224 /nfs/dbraw/zinc/96/42/24/1030964224.db2.gz HGVRPKDRZVVIHH-FQEVSTJZSA-N 0 3 319.452 3.909 20 30 DHEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C)cc1 ZINC001275655611 1031006052 /nfs/dbraw/zinc/00/60/52/1031006052.db2.gz OYOXJAFHFNCYGU-HXUWFJFHSA-N 0 3 312.457 3.528 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H](OC(F)F)C1 ZINC000611578383 1031108783 /nfs/dbraw/zinc/10/87/83/1031108783.db2.gz BXNJGRHOFNQSLB-AWEZNQCLSA-N 0 3 308.372 3.691 20 30 DHEDHN CC(=O)c1ccc(C#N)c(NCCCN(C)Cc2ccccc2)c1 ZINC000347395176 1031210359 /nfs/dbraw/zinc/21/03/59/1031210359.db2.gz CQLPOMXGQVRSCB-UHFFFAOYSA-N 0 3 321.424 3.695 20 30 DHEDHN N#Cc1cncc(CN2CCC[C@H](CCc3ccccc3)C2)c1 ZINC001144086370 1031222362 /nfs/dbraw/zinc/22/23/62/1031222362.db2.gz PQFQACZPWHRBBJ-GOSISDBHSA-N 0 3 305.425 3.798 20 30 DHEDHN CC1(C)CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCC[C@@H]21 ZINC000293048320 1031302634 /nfs/dbraw/zinc/30/26/34/1031302634.db2.gz MPABYXSVFPKKKA-JKSUJKDBSA-N 0 3 322.412 3.619 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H](CCc3ccccc3)C2)nc1 ZINC001144169576 1031307208 /nfs/dbraw/zinc/30/72/08/1031307208.db2.gz MQPFXKVLAYBGJW-SFHVURJKSA-N 0 3 305.425 3.798 20 30 DHEDHN N#Cc1ccc(CN(Cc2ccccc2)C2CCSCC2)nc1 ZINC001144166384 1031307412 /nfs/dbraw/zinc/30/74/12/1031307412.db2.gz CDALIGUMHODIID-UHFFFAOYSA-N 0 3 323.465 3.851 20 30 DHEDHN CC[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000360336238 1031383805 /nfs/dbraw/zinc/38/38/05/1031383805.db2.gz JPUFJMKQKSTUBI-GDBMZVCRSA-N 0 3 310.401 3.667 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000537085080 1031504035 /nfs/dbraw/zinc/50/40/35/1031504035.db2.gz KSNOQLWUKSVYEH-DLBZAZTESA-N 0 3 300.446 3.543 20 30 DHEDHN CN(Cc1cncc(C#N)c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000929423839 1031517915 /nfs/dbraw/zinc/51/79/15/1031517915.db2.gz DREJGPZWJVGSTF-PMACEKPBSA-N 0 3 321.424 3.553 20 30 DHEDHN C=CCC[C@@H](NCC(=O)NC1CCCCC1)c1ccccc1 ZINC000537156317 1031518835 /nfs/dbraw/zinc/51/88/35/1031518835.db2.gz GCABNMAMECPWRN-GOSISDBHSA-N 0 3 300.446 3.732 20 30 DHEDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2C#N)C1)c1ccccc1[O-] ZINC000360711034 1031532199 /nfs/dbraw/zinc/53/21/99/1031532199.db2.gz JCNMTPIGLLYGNE-NVXWUHKLSA-N 0 3 321.424 3.583 20 30 DHEDHN Cc1ccccc1[C@@H](NCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000537291550 1031556297 /nfs/dbraw/zinc/55/62/97/1031556297.db2.gz RPJVDTQHFWTJRI-FQEVSTJZSA-N 0 3 319.408 3.546 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cc(F)cc(F)c1F ZINC001171178664 1031569760 /nfs/dbraw/zinc/56/97/60/1031569760.db2.gz JFPSTLOMTNWHNA-NSHDSACASA-N 0 3 304.315 3.696 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)NCc1ccc(F)c(F)c1F ZINC001171179286 1031573424 /nfs/dbraw/zinc/57/34/24/1031573424.db2.gz QPGNPGBQKLCOSP-LLVKDONJSA-N 0 3 304.315 3.696 20 30 DHEDHN C[C@@H](N)c1nc2ccccc2n1[C@H](C)Cc1cccc(C#N)c1 ZINC001171179362 1031575344 /nfs/dbraw/zinc/57/53/44/1031575344.db2.gz RPQHTCAQPXLENC-ZIAGYGMSSA-N 0 3 304.397 3.731 20 30 DHEDHN N#CC(C(=O)[C@@H]1CCc2ccccc2C1)c1nc2ccccc2[nH]1 ZINC000845436910 1031583590 /nfs/dbraw/zinc/58/35/90/1031583590.db2.gz ODUBCPYIZZDVID-HZPDHXFCSA-N 0 3 315.376 3.544 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000845436846 1031583810 /nfs/dbraw/zinc/58/38/10/1031583810.db2.gz MMLPEQOFJUWSLZ-RRFJBIMHSA-N 0 3 307.397 3.576 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1cc(-c2ccccc2)on1 ZINC001171185294 1031591790 /nfs/dbraw/zinc/59/17/90/1031591790.db2.gz QGKDOLJXFAVOJG-HNNXBMFYSA-N 0 3 317.392 3.934 20 30 DHEDHN Cc1c2cc[nH]c2ncc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171184648 1031594062 /nfs/dbraw/zinc/59/40/62/1031594062.db2.gz OSMROYXOKUMNHA-UHFFFAOYSA-N 0 3 316.364 3.719 20 30 DHEDHN COc1ccc(F)c(F)c1CN[C@@H](C)Cc1cccc(C#N)c1 ZINC001171183325 1031594674 /nfs/dbraw/zinc/59/46/74/1031594674.db2.gz DNBPXZDLKVMRRP-LBPRGKRZSA-N 0 3 316.351 3.566 20 30 DHEDHN COCCN(CCCCC1(C#N)CCC1)Cc1ccc(C)o1 ZINC000929837243 1031620078 /nfs/dbraw/zinc/62/00/78/1031620078.db2.gz LOHOSNAZRQPTRN-UHFFFAOYSA-N 0 3 304.434 3.901 20 30 DHEDHN C[C@H]1CN(CC(C)(C)CCC#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000124149449 1031628070 /nfs/dbraw/zinc/62/80/70/1031628070.db2.gz RDILOTCJYFUIRY-GJZGRUSLSA-N 0 3 323.481 3.646 20 30 DHEDHN COc1cccc([O-])c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000897589290 1031663043 /nfs/dbraw/zinc/66/30/43/1031663043.db2.gz IQISJSNTCRPEOO-UHFFFAOYSA-N 0 3 322.408 3.652 20 30 DHEDHN C#Cc1ccc(CN2CCC(Sc3ccncc3)CC2)cc1 ZINC001144576252 1031725325 /nfs/dbraw/zinc/72/53/25/1031725325.db2.gz HNOXMPJCEDWAAO-UHFFFAOYSA-N 0 3 308.450 3.820 20 30 DHEDHN C#Cc1ccc(CN2CCC(C(C)=O)(c3ccccc3)CC2)cc1 ZINC001144576550 1031726215 /nfs/dbraw/zinc/72/62/15/1031726215.db2.gz MUCQIBTZNJIZSG-UHFFFAOYSA-N 0 3 317.432 3.791 20 30 DHEDHN C=CCC(CC=C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873034 1031748327 /nfs/dbraw/zinc/74/83/27/1031748327.db2.gz BEUWJVHOMXXUGU-WBMJQRKESA-N 0 3 321.348 3.844 20 30 DHEDHN C[C@@H](CCc1cncc2ccccc21)NCc1nc(C#N)cs1 ZINC000897625333 1031748912 /nfs/dbraw/zinc/74/89/12/1031748912.db2.gz ABYAKNWMVLOSRF-ZDUSSCGKSA-N 0 3 322.437 3.674 20 30 DHEDHN Cn1nccc1[C@H]1CCCCN1CCCCC1(C#N)CCC1 ZINC000930308007 1031777244 /nfs/dbraw/zinc/77/72/44/1031777244.db2.gz TZSAQNQWCSNAPD-QGZVFWFLSA-N 0 3 300.450 3.811 20 30 DHEDHN Cc1ccccc1N1CCN([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171202770 1031779571 /nfs/dbraw/zinc/77/95/71/1031779571.db2.gz GAINPSFPAMPRMU-GOSISDBHSA-N 0 3 319.452 3.620 20 30 DHEDHN N#CC1(CCCCN2CCC(C#N)(c3ccccn3)CC2)CCC1 ZINC000930334305 1031785043 /nfs/dbraw/zinc/78/50/43/1031785043.db2.gz WRQGINDEEQDONW-UHFFFAOYSA-N 0 3 322.456 3.803 20 30 DHEDHN CC[C@](O)(CN[C@H](CCCC#N)c1ccccc1)C(F)(F)F ZINC000930571919 1031873230 /nfs/dbraw/zinc/87/32/30/1031873230.db2.gz ZUZWTCGTCPLQLE-CABCVRRESA-N 0 3 314.351 3.715 20 30 DHEDHN N#Cc1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000930610309 1031888237 /nfs/dbraw/zinc/88/82/37/1031888237.db2.gz CNGVKNDFRXFUFF-RCCFBDPRSA-N 0 3 318.848 3.727 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N(C)Cc1ccc(F)cc1F ZINC001171230690 1031996062 /nfs/dbraw/zinc/99/60/62/1031996062.db2.gz XNEDROSTYOEUFB-CYBMUJFWSA-N 0 3 300.352 3.899 20 30 DHEDHN C=CCCCN(CC)Cc1cnc(-c2ccccc2OC)nc1 ZINC000898244810 1031999534 /nfs/dbraw/zinc/99/95/34/1031999534.db2.gz QXIVIGGHLNCNKT-UHFFFAOYSA-N 0 3 311.429 3.940 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCC(=O)[C@H](C)C12CCCC2 ZINC001171231712 1032000951 /nfs/dbraw/zinc/00/09/51/1032000951.db2.gz LIQMBHOONVILPR-HOTGVXAUSA-N 0 3 310.441 3.713 20 30 DHEDHN C[C@H](CCCC(F)(F)F)NCc1cc(C#N)cnc1Cl ZINC000877476085 1033312887 /nfs/dbraw/zinc/31/28/87/1033312887.db2.gz UIFCPQBSPIXBJV-SECBINFHSA-N 0 3 305.731 3.817 20 30 DHEDHN C[C@H](CN(C)CCC1(C#N)CCCCC1)NC(=O)OC(C)(C)C ZINC000860101253 1033298960 /nfs/dbraw/zinc/29/89/60/1033298960.db2.gz UZBIVKXPHTWWQW-OAHLLOKOSA-N 0 3 323.481 3.696 20 30 DHEDHN C[C@]1(CCNCc2cc(C#N)cnc2Cl)CC1(Cl)Cl ZINC000877569523 1033360584 /nfs/dbraw/zinc/36/05/84/1033360584.db2.gz SRCSPMXLRDJMIE-LBPRGKRZSA-N 0 3 318.635 3.670 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(Cl)c1N ZINC000877594809 1033371367 /nfs/dbraw/zinc/37/13/67/1033371367.db2.gz ZTNLVMWNSWINRB-QGZVFWFLSA-N 0 3 311.816 3.961 20 30 DHEDHN COc1cc(C)ccc1CNCc1ccc(N(C)CCC#N)cc1 ZINC000151027216 1033408470 /nfs/dbraw/zinc/40/84/70/1033408470.db2.gz JJPWNUNNPRGNRW-UHFFFAOYSA-N 0 3 323.440 3.643 20 30 DHEDHN CC(C)(C)OC1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877682265 1033410092 /nfs/dbraw/zinc/41/00/92/1033410092.db2.gz HSAHYMIQTZHMML-UHFFFAOYSA-N 0 3 321.852 3.823 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2scnc2C)c([O-])c1 ZINC000103716970 1033498701 /nfs/dbraw/zinc/49/87/01/1033498701.db2.gz BFZYNHQWCBXEKE-RQZCQDPDSA-N 0 3 303.431 3.622 20 30 DHEDHN C[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCC1(C#N)CCC1 ZINC001173074369 1033529640 /nfs/dbraw/zinc/52/96/40/1033529640.db2.gz UDSVTVNOQIEHQX-LBPRGKRZSA-N 0 3 312.335 3.800 20 30 DHEDHN CC[C@@H](CC#N)N[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173080523 1033535547 /nfs/dbraw/zinc/53/55/47/1033535547.db2.gz UHISTFGUPYFBAH-YPMHNXCESA-N 0 3 300.324 3.798 20 30 DHEDHN COC(=O)C1(C#N)CCN(C2CCC3(CCCCC3)CC2)CC1 ZINC001173120614 1033555035 /nfs/dbraw/zinc/55/50/35/1033555035.db2.gz HKCNYHBFNDHSSA-UHFFFAOYSA-N 0 3 318.461 3.658 20 30 DHEDHN Cc1cccc(NC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000153019631 1033557426 /nfs/dbraw/zinc/55/74/26/1033557426.db2.gz LFXXTXIWROQZDW-UHFFFAOYSA-N 0 3 305.425 3.943 20 30 DHEDHN C=CCOC1CCC(NCC(=O)c2ccc(Cl)cc2)CC1 ZINC001173311054 1033666659 /nfs/dbraw/zinc/66/66/59/1033666659.db2.gz CGFDTFYCNHEKSZ-UHFFFAOYSA-N 0 3 307.821 3.626 20 30 DHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2O)o1 ZINC000878885600 1033858321 /nfs/dbraw/zinc/85/83/21/1033858321.db2.gz LFDBRHLPYUPDHN-DZGCQCFKSA-N 0 3 313.401 3.667 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1 ZINC000862444303 1033860191 /nfs/dbraw/zinc/86/01/91/1033860191.db2.gz UXVKOZUVFBKORD-MGPQQGTHSA-N 0 3 308.372 3.701 20 30 DHEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)cc2C(C)C)CC1 ZINC000862861782 1033949122 /nfs/dbraw/zinc/94/91/22/1033949122.db2.gz AESWOGZSXOXRLM-UHFFFAOYSA-N 0 3 318.848 3.747 20 30 DHEDHN C[C@@H](c1nc2ccccc2o1)N(C)CCc1cccc(C#N)c1 ZINC000879432683 1034015783 /nfs/dbraw/zinc/01/57/83/1034015783.db2.gz FJOMWWUDFAMEQN-AWEZNQCLSA-N 0 3 305.381 3.935 20 30 DHEDHN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccccc1)c1ccccc1 ZINC000119596922 1034175798 /nfs/dbraw/zinc/17/57/98/1034175798.db2.gz GEGBLMPRXOHKKM-KRWDZBQOSA-N 0 3 320.392 3.702 20 30 DHEDHN C[C@H]1CN(CCCCC(C)(C)C#N)CC[C@H](C(F)(F)F)O1 ZINC000880066525 1034201381 /nfs/dbraw/zinc/20/13/81/1034201381.db2.gz HUXMVTNNHZWNOS-QWHCGFSZSA-N 0 3 306.372 3.748 20 30 DHEDHN C[C@@](CO)(NCc1ccc(Cl)cc1C#N)C1CCCCC1 ZINC000480552377 1034307005 /nfs/dbraw/zinc/30/70/05/1034307005.db2.gz IAIXIUPFMKIEKJ-KRWDZBQOSA-N 0 3 306.837 3.633 20 30 DHEDHN CC(C)(C)OCCCN1CCN(CCCCC(C)(C)C#N)CC1 ZINC000880415359 1034327898 /nfs/dbraw/zinc/32/78/98/1034327898.db2.gz LCGHZVCLBZTUHF-UHFFFAOYSA-N 0 3 323.525 3.529 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000480712211 1034417338 /nfs/dbraw/zinc/41/73/38/1034417338.db2.gz INPSVSWDRLWEFA-XWIAVFTESA-N 0 3 304.409 3.942 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCC(C)(C)O2)c([O-])c1 ZINC000777402992 1034443905 /nfs/dbraw/zinc/44/39/05/1034443905.db2.gz VEKUBDYXMKDSBN-PUMYGXPMSA-N 0 3 304.434 3.615 20 30 DHEDHN CC(C)OC(=O)C[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000184494932 1034482502 /nfs/dbraw/zinc/48/25/02/1034482502.db2.gz QFCSHPLSHCEFMB-RDJZCZTQSA-N 0 3 314.429 3.673 20 30 DHEDHN N#Cc1ccc(CN2C[C@H]3CCCC[C@@H]3C2)c(Br)c1 ZINC000481030055 1034560146 /nfs/dbraw/zinc/56/01/46/1034560146.db2.gz DMMFDQRIJWQFOL-ZIAGYGMSSA-N 0 3 319.246 3.943 20 30 DHEDHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(C#N)cc1Br ZINC000481116941 1034590001 /nfs/dbraw/zinc/59/00/01/1034590001.db2.gz MXJKVPDELXQQCW-RISCZKNCSA-N 0 3 307.235 3.941 20 30 DHEDHN CC(C)N(Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CCC1 ZINC000193207960 1034834599 /nfs/dbraw/zinc/83/45/99/1034834599.db2.gz OMEBWTBKHYTXTO-UHFFFAOYSA-N 0 3 310.401 3.619 20 30 DHEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)c(C)c3)cc2)CC1 ZINC001175781514 1035118652 /nfs/dbraw/zinc/11/86/52/1035118652.db2.gz JNLVHVKQEJTYIX-UHFFFAOYSA-N 0 3 320.440 3.752 20 30 DHEDHN CCN1CCN(c2ccc(Nc3ccc(C)c(C#N)c3)cc2)CC1 ZINC001175780943 1035119011 /nfs/dbraw/zinc/11/90/11/1035119011.db2.gz OZSQCHBLKFKRER-UHFFFAOYSA-N 0 3 320.440 3.752 20 30 DHEDHN CCN1CCN(c2ccc(Nc3cc(F)ccc3C#N)cc2)CC1 ZINC001175780884 1035119927 /nfs/dbraw/zinc/11/99/27/1035119927.db2.gz NYXYVBXIOCSXTK-UHFFFAOYSA-N 0 3 324.403 3.583 20 30 DHEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccco1 ZINC000160173021 1035144536 /nfs/dbraw/zinc/14/45/36/1035144536.db2.gz FHWGXTOXFLVKGW-HIFRSBDPSA-N 0 3 313.376 3.610 20 30 DHEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccco1 ZINC000160172909 1035144611 /nfs/dbraw/zinc/14/46/11/1035144611.db2.gz FHWGXTOXFLVKGW-ZFWWWQNUSA-N 0 3 313.376 3.610 20 30 DHEDHN CN(Cc1ccc(OCC2CC2)cc1)Cc1cccc(C#N)c1 ZINC000483178306 1035236890 /nfs/dbraw/zinc/23/68/90/1035236890.db2.gz RAECJHWVLMZKTE-UHFFFAOYSA-N 0 3 306.409 3.979 20 30 DHEDHN CN(CCOc1ccc(Cl)c(F)c1)Cc1ccc(C#N)cc1 ZINC000483514470 1035275480 /nfs/dbraw/zinc/27/54/80/1035275480.db2.gz JPHKUCQPUSPRLE-UHFFFAOYSA-N 0 3 318.779 3.862 20 30 DHEDHN CN(CC#Cc1ccccc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000483960583 1035310761 /nfs/dbraw/zinc/31/07/61/1035310761.db2.gz NXBKFVRLTLMNLH-OAQYLSRUSA-N 0 3 304.437 3.639 20 30 DHEDHN Cn1c(NC(=O)C(C#N)Cc2cccs2)cc2ccccc21 ZINC001177905370 1035397518 /nfs/dbraw/zinc/39/75/18/1035397518.db2.gz YQYHXSUPCQUBAQ-ZDUSSCGKSA-N 0 3 309.394 3.561 20 30 DHEDHN C=CC[C@@H](CC)NCc1ncc(Br)cc1Cl ZINC001178585669 1035435725 /nfs/dbraw/zinc/43/57/25/1035435725.db2.gz ZUJBUAWQHVCBRA-SNVBAGLBSA-N 0 3 303.631 3.942 20 30 DHEDHN CS[C@H](C)CCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000773764312 1035443230 /nfs/dbraw/zinc/44/32/30/1035443230.db2.gz PFSSPVOJJCZPAK-MFKMUULPSA-N 0 3 324.833 3.519 20 30 DHEDHN CC(C)CCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905082459 1035478823 /nfs/dbraw/zinc/47/88/23/1035478823.db2.gz WPMZMJMJJGIIIB-RKPNYOAGSA-N 0 3 311.385 3.544 20 30 DHEDHN C=C[C@H](C)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494585886 1035572986 /nfs/dbraw/zinc/57/29/86/1035572986.db2.gz ZWNQWVFLYXMXAY-LBPRGKRZSA-N 0 3 309.335 3.614 20 30 DHEDHN COC(=O)CC[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000925377078 1035695134 /nfs/dbraw/zinc/69/51/34/1035695134.db2.gz CUQPXTAOFBFOMR-HOCLYGCPSA-N 0 3 302.418 3.599 20 30 DHEDHN CC(C)(C)[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001193807293 1035741787 /nfs/dbraw/zinc/74/17/87/1035741787.db2.gz KFZGCCIJIYSNBK-OAHLLOKOSA-N 0 3 301.390 3.725 20 30 DHEDHN CCCC[C@H](CC)COC(=O)N1CCC2SC(=O)C=C2C1 ZINC001193952634 1035771684 /nfs/dbraw/zinc/77/16/84/1035771684.db2.gz FJJHKDNJKKCWPK-GXTWGEPZSA-N 0 3 311.447 3.614 20 30 DHEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000192150526 1035771956 /nfs/dbraw/zinc/77/19/56/1035771956.db2.gz GBNAFHHITIIHGJ-CQSZACIVSA-N 0 3 301.336 3.990 20 30 DHEDHN C[C@H](NCC#Cc1ccccc1)c1cccc(-n2cccn2)c1 ZINC000192157381 1035772620 /nfs/dbraw/zinc/77/26/20/1035772620.db2.gz WAXLHPZGTHMIJL-KRWDZBQOSA-N 0 3 301.393 3.575 20 30 DHEDHN C=C(C)CN(Cc1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC001194051939 1035816435 /nfs/dbraw/zinc/81/64/35/1035816435.db2.gz MJSMFXYWSOMGDC-GOSISDBHSA-N 0 3 309.409 3.905 20 30 DHEDHN CCCCN(CC)[C@H](C(=O)NCC(C)(C)S)c1ccccc1 ZINC001182233956 1036138773 /nfs/dbraw/zinc/13/87/73/1036138773.db2.gz AJIOZYBXCKUUGV-INIZCTEOSA-N 0 3 322.518 3.674 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccn3ccnc3c2)c([O-])c1 ZINC000761785440 1036161439 /nfs/dbraw/zinc/16/14/39/1036161439.db2.gz IFEMMTAVBZKZHH-XSFVSMFZSA-N 0 3 322.412 3.505 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1C#N ZINC000774270918 1036269323 /nfs/dbraw/zinc/26/93/23/1036269323.db2.gz QYMYRDQTWGYTIS-GOSISDBHSA-N 0 3 307.397 3.603 20 30 DHEDHN CC(C)N(CC(=O)Nc1cc(Cl)ccc1C#N)CC1CCC1 ZINC000193203785 1036304804 /nfs/dbraw/zinc/30/48/04/1036304804.db2.gz XHSFWEAMUOTTBY-UHFFFAOYSA-N 0 3 319.836 3.661 20 30 DHEDHN C=CC[C@H]1CCCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001195946704 1036402049 /nfs/dbraw/zinc/40/20/49/1036402049.db2.gz MMYDVVUCGYLTLY-WMLDXEAASA-N 0 3 318.848 3.733 20 30 DHEDHN C[C@@H](NCC#Cc1ccccc1Cl)[C@@H]1COc2ccccc21 ZINC000541698502 1036405733 /nfs/dbraw/zinc/40/57/33/1036405733.db2.gz YUBUUHURKXOMSF-PBHICJAKSA-N 0 3 311.812 3.846 20 30 DHEDHN CCCCOc1cc(CN2CCC(CC#N)CC2)ccc1OC ZINC000541921012 1036459755 /nfs/dbraw/zinc/45/97/55/1036459755.db2.gz TXVSXILZUJETCF-UHFFFAOYSA-N 0 3 316.445 4.000 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](CCc1ccccc1)C(=O)OCC ZINC001196328457 1036505695 /nfs/dbraw/zinc/50/56/95/1036505695.db2.gz AGFLKOKAGFWOCG-CEXWTWQISA-N 0 3 313.441 3.734 20 30 DHEDHN CCCCCCCC[C@H]1C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C ZINC001273737096 1036688762 /nfs/dbraw/zinc/68/87/62/1036688762.db2.gz AXJCADHCNZJCKB-MHORFTMASA-N 0 3 306.494 3.678 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](C(C)(C)C)CC1 ZINC001184222232 1036774920 /nfs/dbraw/zinc/77/49/20/1036774920.db2.gz CKFSDWQKMTWTEF-ULQDDVLXSA-N 0 3 306.494 3.606 20 30 DHEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1c(C)cc(C)cc1C ZINC001198407568 1037014205 /nfs/dbraw/zinc/01/42/05/1037014205.db2.gz WLKFPNLVGXVCOU-QGZVFWFLSA-N 0 3 300.446 3.981 20 30 DHEDHN N#Cc1ccc(Br)c(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000492814317 1037025377 /nfs/dbraw/zinc/02/53/77/1037025377.db2.gz ADFBPNJDFMFSJZ-SWLSCSKDSA-N 0 3 305.219 3.695 20 30 DHEDHN COc1cccc([C@H](C)C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000193619838 1037036154 /nfs/dbraw/zinc/03/61/54/1037036154.db2.gz IKDSLJOLHLRZRR-WFASDCNBSA-N 0 3 320.348 3.816 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCCc1cccc(F)c1 ZINC001199045905 1037187636 /nfs/dbraw/zinc/18/76/36/1037187636.db2.gz XGKDNDOBQYBSTM-UHFFFAOYSA-N 0 3 317.791 3.823 20 30 DHEDHN C[C@@H]1C[C@H](CN(C)CC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000496136079 1037425485 /nfs/dbraw/zinc/42/54/85/1037425485.db2.gz YEAZTGODWAYOCF-HUUCEWRRSA-N 0 3 323.481 3.504 20 30 DHEDHN CCN(C)c1ccccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000776157205 1037618375 /nfs/dbraw/zinc/61/83/75/1037618375.db2.gz PASZCUMZMFZJKV-MRXNPFEDSA-N 0 3 323.440 3.896 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cccc(C#N)c1 ZINC000776162602 1037625526 /nfs/dbraw/zinc/62/55/26/1037625526.db2.gz JMOOXJAJANHPAW-LSDHHAIUSA-N 0 3 305.381 3.872 20 30 DHEDHN CC(C)CO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000776165890 1037656702 /nfs/dbraw/zinc/65/67/02/1037656702.db2.gz YDDVZXIJMGKPBC-IAGOWNOFSA-N 0 3 304.409 3.627 20 30 DHEDHN C=C(C)CN[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494206206 1037668598 /nfs/dbraw/zinc/66/85/98/1037668598.db2.gz VUVTWLSEPUIXOQ-RDJZCZTQSA-N 0 3 324.827 3.695 20 30 DHEDHN CCc1cnccc1[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776172743 1037674832 /nfs/dbraw/zinc/67/48/32/1037674832.db2.gz YKRXRCXJJCESHR-GJZGRUSLSA-N 0 3 309.413 3.958 20 30 DHEDHN N#Cc1ccnc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201469992 1037689044 /nfs/dbraw/zinc/68/90/44/1037689044.db2.gz HVRJLVVJIMRQIB-MOPGFXCFSA-N 0 3 316.408 3.686 20 30 DHEDHN COc1ccc(C#N)cc1Nc1cccc2c1OCC[C@@H]2N(C)C ZINC001201590685 1037795587 /nfs/dbraw/zinc/79/55/87/1037795587.db2.gz PZPZCLFANVTSPX-KRWDZBQOSA-N 0 3 323.396 3.696 20 30 DHEDHN CCCCCCCCCCCN1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001201630921 1037800927 /nfs/dbraw/zinc/80/09/27/1037800927.db2.gz HWZDPAVBSPKVGF-GUDVDZBRSA-N 0 3 311.510 3.989 20 30 DHEDHN N#Cc1csc(CNC[C@@H](O)c2cc3ccccc3s2)c1 ZINC000151359160 1037863649 /nfs/dbraw/zinc/86/36/49/1037863649.db2.gz RRLPHDBMACWTJW-CQSZACIVSA-N 0 3 314.435 3.658 20 30 DHEDHN CCCCCCCCCN1CCN(CCc2ccccn2)CC1 ZINC001201847701 1037920630 /nfs/dbraw/zinc/92/06/30/1037920630.db2.gz ZUFGRPRDKQWYEN-UHFFFAOYSA-N 0 3 317.521 3.992 20 30 DHEDHN C#C[C@@H](C)N(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000775183541 1037946691 /nfs/dbraw/zinc/94/66/91/1037946691.db2.gz NVKIPJMNASMPNV-MRXNPFEDSA-N 0 3 304.393 3.591 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000126228877 1038048922 /nfs/dbraw/zinc/04/89/22/1038048922.db2.gz QPDHCNLAEMTGRX-UONOGXRCSA-N 0 3 306.837 3.580 20 30 DHEDHN Cc1ccc(CC(=O)C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000775240107 1038133351 /nfs/dbraw/zinc/13/33/51/1038133351.db2.gz AXSGCDNNSJFCQF-CQSZACIVSA-N 0 3 323.377 3.526 20 30 DHEDHN C#CCN[C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000775252135 1038149664 /nfs/dbraw/zinc/14/96/64/1038149664.db2.gz BCAIHDMDFNZJEZ-GOSISDBHSA-N 0 3 309.409 3.519 20 30 DHEDHN C[C@]1(CCc2ccccc2)CCN(Cc2ccc(C#N)cn2)C1 ZINC000571696566 1038179806 /nfs/dbraw/zinc/17/98/06/1038179806.db2.gz APYRBMYFVRUUGT-FQEVSTJZSA-N 0 3 305.425 3.798 20 30 DHEDHN C[C@@]1(CCc2ccccc2)CCN(Cc2ccc(C#N)cn2)C1 ZINC000571696570 1038181172 /nfs/dbraw/zinc/18/11/72/1038181172.db2.gz APYRBMYFVRUUGT-HXUWFJFHSA-N 0 3 305.425 3.798 20 30 DHEDHN C=CCCC(=O)N(CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000588041654 1038215184 /nfs/dbraw/zinc/21/51/84/1038215184.db2.gz BAQBIWQWDOGNQF-IBGZPJMESA-N 0 3 314.473 3.856 20 30 DHEDHN C=CCCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000588017782 1038217468 /nfs/dbraw/zinc/21/74/68/1038217468.db2.gz VOYATJTVJFOUAH-OAHLLOKOSA-N 0 3 306.475 3.604 20 30 DHEDHN COc1cc(CNCc2ccc(OCC3CC3)cc2)ccc1C#N ZINC000572413296 1038365080 /nfs/dbraw/zinc/36/50/80/1038365080.db2.gz XYYIIUWUPJYSSI-UHFFFAOYSA-N 0 3 322.408 3.645 20 30 DHEDHN CCCCCCCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC001191061369 1038428232 /nfs/dbraw/zinc/42/82/32/1038428232.db2.gz PLHHHWRMEHRPEQ-UHFFFAOYSA-N 0 3 309.498 3.617 20 30 DHEDHN CCO[C@@H]1C[C@H](N(C)Cc2cncc(C#N)c2)C12CCCCC2 ZINC001191320708 1038489793 /nfs/dbraw/zinc/48/97/93/1038489793.db2.gz VUAIYONYSRAJAR-ZWKOTPCHSA-N 0 3 313.445 3.513 20 30 DHEDHN C=C(C)COc1cccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c1 ZINC000589701119 1038534112 /nfs/dbraw/zinc/53/41/12/1038534112.db2.gz GLWYJVNOOCNTFJ-OAGGEKHMSA-N 0 3 316.445 3.841 20 30 DHEDHN N#C[C@H]1CC[C@@H](N2CCC(c3nc(-c4ccccc4)no3)CC2)C1 ZINC000590158579 1038593897 /nfs/dbraw/zinc/59/38/97/1038593897.db2.gz SUOVWPZBUDTRLA-WMLDXEAASA-N 0 3 322.412 3.608 20 30 DHEDHN COC(=O)c1cccc(CN2CCC[C@@H]2CCC(C)C)c1C#N ZINC001192158811 1038595028 /nfs/dbraw/zinc/59/50/28/1038595028.db2.gz MQLAKQQMLPGUKU-MRXNPFEDSA-N 0 3 314.429 3.745 20 30 DHEDHN CC(C)(CC#N)CNCc1cnn(Cc2ccccc2Cl)c1 ZINC000590970632 1038732647 /nfs/dbraw/zinc/73/26/47/1038732647.db2.gz HOWKZFDPWNIDTC-UHFFFAOYSA-N 0 3 316.836 3.614 20 30 DHEDHN CCCc1ccc(CNCc2ccc(C#N)c(OC)c2)s1 ZINC000598644597 1038801248 /nfs/dbraw/zinc/80/12/48/1038801248.db2.gz QUYQNWKPEJURHC-UHFFFAOYSA-N 0 3 300.427 3.871 20 30 DHEDHN N#Cc1ccccc1CSCCNCc1ccncc1Cl ZINC000598951764 1038962330 /nfs/dbraw/zinc/96/23/30/1038962330.db2.gz ASGYLMQWMQUNDC-UHFFFAOYSA-N 0 3 317.845 3.630 20 30 DHEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000599066285 1039021868 /nfs/dbraw/zinc/02/18/68/1039021868.db2.gz TXENJLFYXRGHAY-ADSMDIBLSA-N 0 3 324.346 3.593 20 30 DHEDHN Cc1ccc(CN(C)C[C@H]2OCCc3ccccc32)cc1C#N ZINC000599278790 1039108698 /nfs/dbraw/zinc/10/86/98/1039108698.db2.gz HNBYVTIYBBTGMZ-HXUWFJFHSA-N 0 3 306.409 3.613 20 30 DHEDHN Cc1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1C#N ZINC000599285371 1039109741 /nfs/dbraw/zinc/10/97/41/1039109741.db2.gz QTDPBUZAXPJLEG-FQEVSTJZSA-N 0 3 306.409 3.830 20 30 DHEDHN Cc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1C#N ZINC000599310858 1039114529 /nfs/dbraw/zinc/11/45/29/1039114529.db2.gz GJKXQENWFVQZTD-UHFFFAOYSA-N 0 3 318.420 3.888 20 30 DHEDHN COc1cncc(/C=C\CCN(CCC#N)CCC(C)C)c1 ZINC000592071154 1039115430 /nfs/dbraw/zinc/11/54/30/1039115430.db2.gz BLTCUFFDNPHVDR-DAXSKMNVSA-N 0 3 301.434 3.755 20 30 DHEDHN Cc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1C#N ZINC000599328017 1039121742 /nfs/dbraw/zinc/12/17/42/1039121742.db2.gz VULILJCAEKQZFR-UHFFFAOYSA-N 0 3 324.399 3.801 20 30 DHEDHN N#CCCC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000592136081 1039127136 /nfs/dbraw/zinc/12/71/36/1039127136.db2.gz FLECUSQIGNRKBW-UHFFFAOYSA-N 0 3 313.376 3.996 20 30 DHEDHN CC(C)c1ccc(CN2CC[C@](O)(CC#N)C2)c(C(C)C)c1 ZINC000592152411 1039131059 /nfs/dbraw/zinc/13/10/59/1039131059.db2.gz XISDYRCSIMGYTN-LJQANCHMSA-N 0 3 300.446 3.784 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cc(C)cc(C)c1 ZINC000058397780 1039156298 /nfs/dbraw/zinc/15/62/98/1039156298.db2.gz XDSAUDCHGYZNLL-UHFFFAOYSA-N 0 3 308.425 3.824 20 30 DHEDHN N#Cc1csc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592526578 1039223094 /nfs/dbraw/zinc/22/30/94/1039223094.db2.gz ARUIXJBMGVCGIJ-GOSISDBHSA-N 0 3 324.449 3.779 20 30 DHEDHN C[C@@H](O)c1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000171246526 1039398633 /nfs/dbraw/zinc/39/86/33/1039398633.db2.gz MCIIOWXRPNVTTH-MRXNPFEDSA-N 0 3 324.424 3.712 20 30 DHEDHN N#CC1(c2ccccn2)CCN(Cc2cccc3c2CCC3)CC1 ZINC000593625890 1039569316 /nfs/dbraw/zinc/56/93/16/1039569316.db2.gz FORIHJHVZRWDQU-UHFFFAOYSA-N 0 3 317.436 3.628 20 30 DHEDHN COc1ccc([C@H](C)[C@@H](C)NCC2(C#N)CCCC2)cc1OC ZINC000593654413 1039578666 /nfs/dbraw/zinc/57/86/66/1039578666.db2.gz BYODGIURONSXNS-HUUCEWRRSA-N 0 3 316.445 3.869 20 30 DHEDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC1(C#N)CCCC1 ZINC000593653070 1039580316 /nfs/dbraw/zinc/58/03/16/1039580316.db2.gz ATEUKKZTZSYJCI-CQSZACIVSA-N 0 3 301.390 3.589 20 30 DHEDHN C=CCCCN(C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000605743143 1039742676 /nfs/dbraw/zinc/74/26/76/1039742676.db2.gz VSIXFDGQROWTNY-UHFFFAOYSA-N 0 3 302.462 3.712 20 30 DHEDHN N#Cc1cccc(CN2CCC(Nc3ccccc3C#N)CC2)c1 ZINC000593931518 1039778572 /nfs/dbraw/zinc/77/85/72/1039778572.db2.gz FTKRKVHMLDEINS-UHFFFAOYSA-N 0 3 316.408 3.506 20 30 DHEDHN CCCCC1CCC(CNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594431591 1039783650 /nfs/dbraw/zinc/78/36/50/1039783650.db2.gz OHFCGPSKSPNPKF-OFLPRAFFSA-N 0 3 307.482 3.510 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000594444772 1039783994 /nfs/dbraw/zinc/78/39/94/1039783994.db2.gz CLKIANIEBUFODW-ROUUACIJSA-N 0 3 319.493 3.749 20 30 DHEDHN CCC(CC)[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cccs1 ZINC000594431742 1039786044 /nfs/dbraw/zinc/78/60/44/1039786044.db2.gz QRMYZNAKYNLSQF-GDBMZVCRSA-N 0 3 321.490 3.753 20 30 DHEDHN CC(C)(C)C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594427331 1039793410 /nfs/dbraw/zinc/79/34/10/1039793410.db2.gz IKGJQDDJNFDJFQ-IAGOWNOFSA-N 0 3 315.461 3.691 20 30 DHEDHN N#C[C@H]1CC[C@@H](NC2(c3cccc(OC(F)(F)F)c3)CC2)C1 ZINC000594519214 1039826277 /nfs/dbraw/zinc/82/62/77/1039826277.db2.gz VODAALYIUPWCLY-WCQYABFASA-N 0 3 310.319 3.856 20 30 DHEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000594915688 1039923565 /nfs/dbraw/zinc/92/35/65/1039923565.db2.gz VXYHIRACDKUPAQ-AWEZNQCLSA-N 0 3 320.392 3.821 20 30 DHEDHN COc1cc(C)c(CNC(C)(C)c2cccc(C#N)c2)cc1OC ZINC000594970550 1039946967 /nfs/dbraw/zinc/94/69/67/1039946967.db2.gz XMXFOHPYLAPZJX-UHFFFAOYSA-N 0 3 324.424 3.909 20 30 DHEDHN C=CCCCCCN(C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000606815946 1039984960 /nfs/dbraw/zinc/98/49/60/1039984960.db2.gz IIZZFBDVGWHAIM-LJQANCHMSA-N 0 3 314.473 3.856 20 30 DHEDHN C[C@@H](O)[C@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000595006613 1040015951 /nfs/dbraw/zinc/01/59/51/1040015951.db2.gz MDFFCVMKFMIKJA-BEFAXECRSA-N 0 3 308.425 3.699 20 30 DHEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)C1CCCCC1 ZINC000595094321 1040079754 /nfs/dbraw/zinc/07/97/54/1040079754.db2.gz WQEFOEBYIWGJAL-FZKQIMNGSA-N 0 3 304.409 3.943 20 30 DHEDHN C=CCN1CCC(NC(=O)/C=C(\CC)c2ccc(C)cc2)CC1 ZINC000172908770 1040100126 /nfs/dbraw/zinc/10/01/26/1040100126.db2.gz PHPZBHDDEBZGPG-BMRADRMJSA-N 0 3 312.457 3.555 20 30 DHEDHN Cc1cccc([C@H]2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])C2)c1 ZINC000593023338 1040163034 /nfs/dbraw/zinc/16/30/34/1040163034.db2.gz QHLGREWXWYVMHT-KRWDZBQOSA-N 0 3 321.380 3.764 20 30 DHEDHN CC(C)(C)OC(=O)c1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000595621885 1040196591 /nfs/dbraw/zinc/19/65/91/1040196591.db2.gz ZDKOJYNHNAVJIR-OAHLLOKOSA-N 0 3 314.429 3.768 20 30 DHEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595602618 1040201481 /nfs/dbraw/zinc/20/14/81/1040201481.db2.gz JFQRQNMDSKQFFG-DOTOQJQBSA-N 0 3 322.412 3.833 20 30 DHEDHN COc1cccc([C@@]2(C)CCN(Cc3ccc(C#N)s3)C2)c1 ZINC000595762896 1040235560 /nfs/dbraw/zinc/23/55/60/1040235560.db2.gz BHKCWPSUMKANJY-SFHVURJKSA-N 0 3 312.438 3.792 20 30 DHEDHN CC[C@H](NCCCCC(C)(C)C#N)c1nnc2n1CCCCC2 ZINC000595800310 1040244085 /nfs/dbraw/zinc/24/40/85/1040244085.db2.gz RILSQFRDLSHWDI-HNNXBMFYSA-N 0 3 317.481 3.765 20 30 DHEDHN N#CC1(CCN2CCOC(C3CC3)(C3CC3)C2)CCCCC1 ZINC000595821135 1040248152 /nfs/dbraw/zinc/24/81/52/1040248152.db2.gz ATQXLKJCIHZGOW-UHFFFAOYSA-N 0 3 302.462 3.742 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c(Cl)c1 ZINC000595789295 1040256452 /nfs/dbraw/zinc/25/64/52/1040256452.db2.gz QNCHROWQCHKICE-FUHWJXTLSA-N 0 3 318.848 3.993 20 30 DHEDHN CC[C@@H](c1ccccc1)N(CC(=O)N(CC)CCC#N)C(C)C ZINC000595855847 1040263119 /nfs/dbraw/zinc/26/31/19/1040263119.db2.gz FPNUXFSDXIZNAT-SFHVURJKSA-N 0 3 315.461 3.610 20 30 DHEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000173970672 1040472031 /nfs/dbraw/zinc/47/20/31/1040472031.db2.gz QNAJYXCTWUWNNS-CJNGLKHVSA-N 0 3 308.381 3.923 20 30 DHEDHN Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597026491 1040630748 /nfs/dbraw/zinc/63/07/48/1040630748.db2.gz IXMMKCBCKKNGSJ-IBGZPJMESA-N 0 3 320.440 3.621 20 30 DHEDHN N#CC1(c2ccc(CN3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000597133465 1040659554 /nfs/dbraw/zinc/65/95/54/1040659554.db2.gz SQYFQCPWNYTORU-MOPGFXCFSA-N 0 3 322.452 3.775 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC[C@H]1c1cccc(F)c1 ZINC000060479285 1040671805 /nfs/dbraw/zinc/67/18/05/1040671805.db2.gz OLGVQUXSKFYZKY-SFHVURJKSA-N 0 3 310.372 3.913 20 30 DHEDHN C[C@@H](CCC#N)CNc1cccc(CN2CCSCC2)c1 ZINC000602492827 1041060179 /nfs/dbraw/zinc/06/01/79/1041060179.db2.gz YIXHMQLIDSYKRV-HNNXBMFYSA-N 0 3 303.475 3.587 20 30 DHEDHN C[C@H](N[C@H](c1nnc[nH]1)C1CCCCC1)c1cccc(C#N)c1 ZINC000602566182 1041099146 /nfs/dbraw/zinc/09/91/46/1041099146.db2.gz IYJGSOXQDXITLK-GUYCJALGSA-N 0 3 309.417 3.649 20 30 DHEDHN N#CC1CCC(N[C@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000602582974 1041114191 /nfs/dbraw/zinc/11/41/91/1041114191.db2.gz ZWGKDGOTUDZMTE-ITXXBFQVSA-N 0 3 309.388 3.982 20 30 DHEDHN Cc1cccc2c1OCC[C@H]2N[C@H](C)CC1(C#N)CCOCC1 ZINC000602643021 1041129193 /nfs/dbraw/zinc/12/91/93/1041129193.db2.gz KUQZVNWIZNONOQ-NVXWUHKLSA-N 0 3 314.429 3.507 20 30 DHEDHN Cn1c(CN[C@H]2CCc3cc(C#N)ccc32)cc2ccccc21 ZINC000602641930 1041130013 /nfs/dbraw/zinc/13/00/13/1041130013.db2.gz VTLOORNLUXXDCU-IBGZPJMESA-N 0 3 301.393 3.827 20 30 DHEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000602807671 1041231554 /nfs/dbraw/zinc/23/15/54/1041231554.db2.gz ZSUFXXYUQSVQMG-CYBMUJFWSA-N 0 3 302.393 3.959 20 30 DHEDHN N#Cc1ccc(CN2CCC(Nc3ccccc3C#N)CC2)cc1 ZINC000602894313 1041298461 /nfs/dbraw/zinc/29/84/61/1041298461.db2.gz LHVPWPUOHXSKFR-UHFFFAOYSA-N 0 3 316.408 3.506 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000598587120 1041349342 /nfs/dbraw/zinc/34/93/42/1041349342.db2.gz NCNJTPHBPZIINH-HOTGVXAUSA-N 0 3 306.837 3.778 20 30 DHEDHN C#CCCOc1ccc(CN[C@H](CCCO)c2ccccc2)cc1 ZINC000077467358 334926815 /nfs/dbraw/zinc/92/68/15/334926815.db2.gz BWTZLTJGHQHZLE-OAQYLSRUSA-N 0 3 323.436 3.692 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000078973604 185138149 /nfs/dbraw/zinc/13/81/49/185138149.db2.gz PYECMPXWSCUUKQ-KBPBESRZSA-N 0 3 308.381 3.741 20 30 DHEDHN C=CCSCCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000180454237 334950415 /nfs/dbraw/zinc/95/04/15/334950415.db2.gz OBWREPRKNKMMNX-HNNXBMFYSA-N 0 3 301.459 3.501 20 30 DHEDHN C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000280193653 334961036 /nfs/dbraw/zinc/96/10/36/334961036.db2.gz SJOWQPVCESRJEX-SFHVURJKSA-N 0 3 302.462 3.782 20 30 DHEDHN C=C(C)[C@H](NCCc1ccnn1CC)c1ccc(F)c(F)c1 ZINC000283065210 335002059 /nfs/dbraw/zinc/00/20/59/335002059.db2.gz KCIPNTLRTFESBI-KRWDZBQOSA-N 0 3 305.372 3.631 20 30 DHEDHN C#CCOc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000191659813 335005176 /nfs/dbraw/zinc/00/51/76/335005176.db2.gz POPOIWJFTQORNI-LJQANCHMSA-N 0 3 307.393 3.571 20 30 DHEDHN C=C(C)CN1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284299256 335011057 /nfs/dbraw/zinc/01/10/57/335011057.db2.gz YONVVUAVAPYPGV-INIZCTEOSA-N 0 3 302.462 3.700 20 30 DHEDHN COc1ccc(Oc2cc(CN[C@H]3CC[C@H](C#N)C3)ccn2)cc1 ZINC000442705842 335030173 /nfs/dbraw/zinc/03/01/73/335030173.db2.gz BXBAXOBKMNNENV-HOCLYGCPSA-N 0 3 323.396 3.664 20 30 DHEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000192621604 335036678 /nfs/dbraw/zinc/03/66/78/335036678.db2.gz JDKSGVYBXPJGKG-LRDDRELGSA-N 0 3 319.836 3.661 20 30 DHEDHN C=CCCCCC[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000193412322 335048379 /nfs/dbraw/zinc/04/83/79/335048379.db2.gz BRSFQHCRVMHDIR-UHFFFAOYSA-N 0 3 316.445 3.789 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000442718331 335049136 /nfs/dbraw/zinc/04/91/36/335049136.db2.gz LLECBTPBZLEVQF-MAUKXSAKSA-N 0 3 319.408 3.721 20 30 DHEDHN N#Cc1ccc(OC2CCN(Cc3cccs3)CC2)c(F)c1 ZINC000285384836 131163588 /nfs/dbraw/zinc/16/35/88/131163588.db2.gz CUXFZFZAJAXPIE-UHFFFAOYSA-N 0 3 316.401 3.802 20 30 DHEDHN C[C@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000287019462 131259819 /nfs/dbraw/zinc/25/98/19/131259819.db2.gz LBJUYMVISYRACE-IFXJQAMLSA-N 0 3 311.404 3.651 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)s2)c(C)c1OC ZINC000288369763 131322226 /nfs/dbraw/zinc/32/22/26/131322226.db2.gz DXXOAXCNVZTHCS-GFCCVEGCSA-N 0 3 316.426 3.796 20 30 DHEDHN N#Cc1ccc(CN[C@H]2c3ccccc3CC23CCOCC3)s1 ZINC000289885554 131429911 /nfs/dbraw/zinc/42/99/11/131429911.db2.gz SHZXYKPLNWTWIL-SFHVURJKSA-N 0 3 324.449 3.804 20 30 DHEDHN C#CCCOc1ccc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000290295127 335070831 /nfs/dbraw/zinc/07/08/31/335070831.db2.gz ASVJCTPNCDKXQS-LJQANCHMSA-N 0 3 323.440 3.766 20 30 DHEDHN Cc1nc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)ccc1C#N ZINC000488109037 429176802 /nfs/dbraw/zinc/17/68/02/429176802.db2.gz TXMSUENOIUEFOA-QAPCUYQASA-N 0 3 306.413 3.509 20 30 DHEDHN Cc1ccc(NC[C@H](c2ccc(Cl)cc2)N(C)C)nc1C#N ZINC000527288541 435011485 /nfs/dbraw/zinc/01/14/85/435011485.db2.gz QWUSTWVEKLHQLO-MRXNPFEDSA-N 0 3 314.820 3.630 20 30 DHEDHN C=CCCOc1ccccc1-c1ccc(NCCN(C)C)nc1 ZINC000629736716 435399736 /nfs/dbraw/zinc/39/97/36/435399736.db2.gz VIDWBJPFNROWNX-UHFFFAOYSA-N 0 3 311.429 3.677 20 30 DHEDHN CN(C)[C@@H](CNc1ccc2cc(C#N)ccc2n1)c1ccsc1 ZINC000540076990 435586716 /nfs/dbraw/zinc/58/67/16/435586716.db2.gz DMBYLRQPTSLQAQ-KRWDZBQOSA-N 0 3 322.437 3.883 20 30 DHEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000186693853 331466444 /nfs/dbraw/zinc/46/64/44/331466444.db2.gz WCUZHZNXDQCQJU-GXSJLCMTSA-N 0 3 305.752 3.529 20 30 DHEDHN C=C(C)COCCN[C@@H](C)c1ccccc1OC(F)(F)F ZINC000537958186 331920396 /nfs/dbraw/zinc/92/03/96/331920396.db2.gz KLFZBOWYABEMGT-LBPRGKRZSA-N 0 3 303.324 3.829 20 30 DHEDHN CCc1ccc(CCN2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000558629392 331930367 /nfs/dbraw/zinc/93/03/67/331930367.db2.gz UNGYYFGADJAKRB-UHFFFAOYSA-N 0 3 319.452 3.744 20 30 DHEDHN C=CCCOCCN[C@@H]1CCc2cc(Br)ccc21 ZINC000090883862 332053692 /nfs/dbraw/zinc/05/36/92/332053692.db2.gz GWDPTYHBVOFQOX-OAHLLOKOSA-N 0 3 310.235 3.619 20 30 DHEDHN C=CCN1CC[C@@H](N(C)Cc2ccccc2-c2ccccc2)C1=O ZINC000410346951 332114593 /nfs/dbraw/zinc/11/45/93/332114593.db2.gz YDWIPTAUAAQQJL-HXUWFJFHSA-N 0 3 320.436 3.572 20 30 DHEDHN C=CCN1CC[C@H](N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)C1=O ZINC000410380677 332121210 /nfs/dbraw/zinc/12/12/10/332121210.db2.gz HRMHKCGAGGKXEU-WDSOQIARSA-N 0 3 312.457 3.555 20 30 DHEDHN C[C@H](c1cccc(O)c1)N(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093315921 332137353 /nfs/dbraw/zinc/13/73/53/332137353.db2.gz NGEGQRSHRKVLSL-MRXNPFEDSA-N 0 3 323.440 3.935 20 30 DHEDHN C=CCCCN[C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000448026016 332194000 /nfs/dbraw/zinc/19/40/00/332194000.db2.gz GQTFAMDRAWQQOM-ZWKOTPCHSA-N 0 3 321.486 3.636 20 30 DHEDHN C#CCCCCNCc1cc2cnn(C(C)C)c2nc1Cl ZINC000150738755 332194712 /nfs/dbraw/zinc/19/47/12/332194712.db2.gz GXDCSHNLYJDYHT-UHFFFAOYSA-N 0 3 304.825 3.559 20 30 DHEDHN C=CCC(CC=C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000236757693 332202011 /nfs/dbraw/zinc/20/20/11/332202011.db2.gz TUCBZOMOPNCKDK-GOSISDBHSA-N 0 3 300.446 3.694 20 30 DHEDHN C=C1CCN(CCCc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000531109334 332267489 /nfs/dbraw/zinc/26/74/89/332267489.db2.gz STCNQSFMOVVTHZ-UHFFFAOYSA-N 0 3 315.392 3.769 20 30 DHEDHN N#Cc1cccc(C2(NCCOc3ccc(Cl)cc3)CC2)c1 ZINC000560175556 332316437 /nfs/dbraw/zinc/31/64/37/332316437.db2.gz SXUVAASCCBHIMR-UHFFFAOYSA-N 0 3 312.800 3.869 20 30 DHEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000237551363 332372121 /nfs/dbraw/zinc/37/21/21/332372121.db2.gz UDXQSBTUSXFUHT-LPHOPBHVSA-N 0 3 308.425 3.537 20 30 DHEDHN C=CCN1CCC(NCc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000237717566 332386096 /nfs/dbraw/zinc/38/60/96/332386096.db2.gz BNSMPFXZKBQDJO-UHFFFAOYSA-N 0 3 310.441 3.995 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000185030548 335108214 /nfs/dbraw/zinc/10/82/14/335108214.db2.gz FPTWJPGDWHZBFX-LSDHHAIUSA-N 0 3 306.475 3.604 20 30 DHEDHN C=CCC[C@H](NCC(=O)NCc1cccc(C)c1)c1ccccc1 ZINC000561161619 332418580 /nfs/dbraw/zinc/41/85/80/332418580.db2.gz XFNRVFSGNPMUKD-FQEVSTJZSA-N 0 3 322.452 3.908 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(NC(C)=O)c2)cc1 ZINC000155447782 332448158 /nfs/dbraw/zinc/44/81/58/332448158.db2.gz NKFUNCQHUWIDCT-OAHLLOKOSA-N 0 3 322.408 3.508 20 30 DHEDHN C[C@@H]1Cc2ccccc2N1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000562095707 332545880 /nfs/dbraw/zinc/54/58/80/332545880.db2.gz JUSOVXLNQXFIQZ-FOIQADDNSA-N 0 3 317.436 3.586 20 30 DHEDHN C=CCCOCCN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000181025729 333029311 /nfs/dbraw/zinc/02/93/11/333029311.db2.gz JQZHIVROQNXEMS-FQEVSTJZSA-N 0 3 311.425 3.967 20 30 DHEDHN COC[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000172123264 333059100 /nfs/dbraw/zinc/05/91/00/333059100.db2.gz CPBRZDUMILWCOA-HXUWFJFHSA-N 0 3 323.440 3.514 20 30 DHEDHN C=CCN(CCCO[C@@H]1CCCCO1)Cc1ccc(OC)cc1 ZINC000460380192 333075372 /nfs/dbraw/zinc/07/53/72/333075372.db2.gz LYSVMBMCTICEIL-LJQANCHMSA-N 0 3 319.445 3.617 20 30 DHEDHN CN(C)CCOc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1Cl ZINC000185741569 333213091 /nfs/dbraw/zinc/21/30/91/333213091.db2.gz RXYGOJIQKZUWDP-KBPBESRZSA-N 0 3 321.852 3.775 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](Nc2cccc(CN3CCSCC3)c2)C1 ZINC000185743611 333213367 /nfs/dbraw/zinc/21/33/67/333213367.db2.gz OIAHJSJFTNROGJ-NVXWUHKLSA-N 0 3 315.486 3.730 20 30 DHEDHN COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1Br ZINC000185807903 333214251 /nfs/dbraw/zinc/21/42/51/333214251.db2.gz MYCDQPIVPUNFDQ-WCQYABFASA-N 0 3 323.234 3.630 20 30 DHEDHN CN(c1cccc(F)c1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388159275 333215245 /nfs/dbraw/zinc/21/52/45/333215245.db2.gz ICOYCSSJXSREFW-KRWDZBQOSA-N 0 3 323.415 3.798 20 30 DHEDHN CC(C)(COCc1ccccc1)NCc1ccc(C#N)cc1F ZINC000390077512 333222643 /nfs/dbraw/zinc/22/26/43/333222643.db2.gz XTGJOIUYSWXRTE-UHFFFAOYSA-N 0 3 312.388 3.782 20 30 DHEDHN C=CCCCCN[C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000497247270 333227170 /nfs/dbraw/zinc/22/71/70/333227170.db2.gz SITYVBJKKRTAHM-CQSZACIVSA-N 0 3 319.449 3.857 20 30 DHEDHN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000294963696 335129619 /nfs/dbraw/zinc/12/96/19/335129619.db2.gz MUOBTQAWOJDIHJ-AEFFLSMTSA-N 0 3 314.473 3.710 20 30 DHEDHN CCN(CCOc1cccc(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497591211 333266601 /nfs/dbraw/zinc/26/66/01/333266601.db2.gz WCEUDVKJNHQOLE-MRXNPFEDSA-N 0 3 319.408 3.892 20 30 DHEDHN N#C[C@H]1CCC[C@@H](N[C@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000192757963 333292580 /nfs/dbraw/zinc/29/25/80/333292580.db2.gz YVIMKAQHDMTCBO-CRFBAAHOSA-N 0 3 312.413 3.581 20 30 DHEDHN N#C[C@H]1CCC[C@H](NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000192879296 333294724 /nfs/dbraw/zinc/29/47/24/333294724.db2.gz RPHWOHQHUAIWIV-LKTVYLICSA-N 0 3 313.228 3.699 20 30 DHEDHN C=CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000364380673 333303418 /nfs/dbraw/zinc/30/34/18/333303418.db2.gz SXMSMEXSUANZME-IEBWSBKVSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CC1CCN(C(=O)c2ccc(CN(CC)C3CC3)cc2)CC1 ZINC000110360086 333326888 /nfs/dbraw/zinc/32/68/88/333326888.db2.gz VLTUEEWGZGBAFD-UHFFFAOYSA-N 0 3 312.457 3.709 20 30 DHEDHN N#Cc1ccc(CN(C[C@@H](O)CCc2ccccc2)C2CC2)cc1 ZINC000182275139 333354854 /nfs/dbraw/zinc/35/48/54/333354854.db2.gz FSTLAGUCFPCGON-NRFANRHFSA-N 0 3 320.436 3.516 20 30 DHEDHN CC(C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(F)(F)F ZINC000525796429 333396739 /nfs/dbraw/zinc/39/67/39/333396739.db2.gz NXFUTKMMHUISGG-JGVFFNPUSA-N 0 3 316.348 3.881 20 30 DHEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000339428430 333524713 /nfs/dbraw/zinc/52/47/13/333524713.db2.gz RFDFOTFVZQQHFK-ZDUSSCGKSA-N 0 3 300.381 3.602 20 30 DHEDHN CCCNC(=O)C1(NCCC2(C#N)CCCCC2)CCCCC1 ZINC000411379359 333663105 /nfs/dbraw/zinc/66/31/05/333663105.db2.gz AKENAOQIXQVPQC-UHFFFAOYSA-N 0 3 319.493 3.669 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N1CCCC[C@H]1C)c1ccccc1 ZINC000411479129 333679512 /nfs/dbraw/zinc/67/95/12/333679512.db2.gz YXDVIPSZMGSQJI-SJLPKXTDSA-N 0 3 300.446 3.685 20 30 DHEDHN N#CC1(CCN[C@@H](CO)c2ccc(Cl)cc2)CCCCC1 ZINC000411513155 333686200 /nfs/dbraw/zinc/68/62/00/333686200.db2.gz UEFMXIKTRKURMP-INIZCTEOSA-N 0 3 306.837 3.827 20 30 DHEDHN C=C[C@H]1CCCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412289311 333744445 /nfs/dbraw/zinc/74/44/45/333744445.db2.gz MWOBIMBAQRCHNZ-IBGZPJMESA-N 0 3 312.457 3.853 20 30 DHEDHN C=C(C)CN1CCC(N[C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186326272 335157182 /nfs/dbraw/zinc/15/71/82/335157182.db2.gz QGKAUFQXRVQGSQ-AWEZNQCLSA-N 0 3 307.507 3.958 20 30 DHEDHN N#CC1(c2ccccn2)CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000571413260 333788017 /nfs/dbraw/zinc/78/80/17/333788017.db2.gz WXWIDLDUNXXPJQ-MOPGFXCFSA-N 0 3 317.436 3.742 20 30 DHEDHN Cc1ccc([C@H](CNc2ncc(C#N)cc2F)N2CCCC2)cc1 ZINC000413090499 333832010 /nfs/dbraw/zinc/83/20/10/333832010.db2.gz FOBDECOTBNIXSD-SFHVURJKSA-N 0 3 324.403 3.650 20 30 DHEDHN C=CC[C@H](Cc1ccccc1)NCc1nc2ccccc2n1C ZINC000414530736 334008540 /nfs/dbraw/zinc/00/85/40/334008540.db2.gz FDSXROYORCMMPC-QGZVFWFLSA-N 0 3 305.425 3.850 20 30 DHEDHN C[C@H](N[C@H](CCCO)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271913195 334028558 /nfs/dbraw/zinc/02/85/58/334028558.db2.gz BOCLQCUWONWQNO-IFXJQAMLSA-N 0 3 312.388 3.862 20 30 DHEDHN Cc1ccnc(OC2CCN(CCCC(C)(C)C#N)CC2)c1 ZINC000272767661 334039588 /nfs/dbraw/zinc/03/95/88/334039588.db2.gz AJHDXPQOEOIZQJ-UHFFFAOYSA-N 0 3 301.434 3.563 20 30 DHEDHN CC(C)OC(=O)C[C@@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000272884815 334040825 /nfs/dbraw/zinc/04/08/25/334040825.db2.gz WJJQPZMBIXYTRE-MRXNPFEDSA-N 0 3 302.418 3.599 20 30 DHEDHN Cc1ccnc(N[C@H](CN2CCCC2)c2ccccc2)c1C#N ZINC000343520620 335174409 /nfs/dbraw/zinc/17/44/09/335174409.db2.gz VAKGZNUJHLPOLS-GOSISDBHSA-N 0 3 306.413 3.511 20 30 DHEDHN CN(Cc1ccc(C#N)o1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273467559 334047629 /nfs/dbraw/zinc/04/76/29/334047629.db2.gz INVWRMVQTBTLNT-YJBOKZPZSA-N 0 3 314.360 3.642 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N[C@H](CCO)c2ccco2)CC1 ZINC000274616219 334063981 /nfs/dbraw/zinc/06/39/81/334063981.db2.gz DRKZKPAXXYXQJE-QPIRBTGLSA-N 0 3 324.424 3.697 20 30 DHEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Br)cc1F ZINC000275762669 334073125 /nfs/dbraw/zinc/07/31/25/334073125.db2.gz TYBLGLDHURPYCI-JBLDHEPKSA-N 0 3 311.198 3.931 20 30 DHEDHN CC(C)(C#N)CCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000277056306 334086161 /nfs/dbraw/zinc/08/61/61/334086161.db2.gz MOVBCSOINFXHFH-LSDHHAIUSA-N 0 3 310.800 3.839 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000343609910 335177022 /nfs/dbraw/zinc/17/70/22/335177022.db2.gz XQNJPIIVJMIXDS-IBGZPJMESA-N 0 3 312.457 3.536 20 30 DHEDHN N#CC1CCC(CNCc2ncc(C(F)(F)F)s2)CC1 ZINC000281825052 334128802 /nfs/dbraw/zinc/12/88/02/334128802.db2.gz XHKWZXVBVGTAFG-UHFFFAOYSA-N 0 3 303.353 3.581 20 30 DHEDHN CCN(CC(C)C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343591590 335179957 /nfs/dbraw/zinc/17/99/57/335179957.db2.gz CVKRKBWZMKWOLI-LBPRGKRZSA-N 0 3 307.825 3.517 20 30 DHEDHN Cc1ccc(NC(=O)C(C#N)c2nc3ccccc3s2)s1 ZINC000340366620 334176053 /nfs/dbraw/zinc/17/60/53/334176053.db2.gz QDOGMTOVMSRSJO-SNVBAGLBSA-N 0 3 313.407 3.912 20 30 DHEDHN Cc1[nH]c2ccccc2c1C1CCN(CCOCCC#N)CC1 ZINC000293509984 334198392 /nfs/dbraw/zinc/19/83/92/334198392.db2.gz OFZTTXJGNPNBCA-UHFFFAOYSA-N 0 3 311.429 3.586 20 30 DHEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293801945 334202363 /nfs/dbraw/zinc/20/23/63/334202363.db2.gz VBKWYIAXKROHOP-YCPHGPKFSA-N 0 3 312.392 3.744 20 30 DHEDHN COc1ccc(CN2CCC(CF)CC2)cc1OCCCC#N ZINC000295106802 334218650 /nfs/dbraw/zinc/21/86/50/334218650.db2.gz UIXUAAFNGCXABZ-UHFFFAOYSA-N 0 3 320.408 3.559 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000295932130 334228549 /nfs/dbraw/zinc/22/85/49/334228549.db2.gz FSWMINYXUGCESI-UONOGXRCSA-N 0 3 314.820 3.698 20 30 DHEDHN COc1ccc2c(c1)C[C@H](N[C@@H](CCC#N)c1ccccc1)CO2 ZINC000296657384 334235639 /nfs/dbraw/zinc/23/56/39/334235639.db2.gz DWXNCVOHJSPHDP-HKUYNNGSSA-N 0 3 322.408 3.633 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC(c2ccncn2)CC1 ZINC000298559606 334249833 /nfs/dbraw/zinc/24/98/33/334249833.db2.gz ZXFKECMQWRFCLO-UHFFFAOYSA-N 0 3 320.440 3.657 20 30 DHEDHN COc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1Br ZINC000299714785 334257619 /nfs/dbraw/zinc/25/76/19/334257619.db2.gz RCRTTWCJZSNYBH-QWRGUYRKSA-N 0 3 311.223 3.801 20 30 DHEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](C)c2cnn(C)c2)cc1 ZINC000163948094 334265872 /nfs/dbraw/zinc/26/58/72/334265872.db2.gz KLEXLZUFRFYJKF-UONOGXRCSA-N 0 3 319.836 3.963 20 30 DHEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)cc1 ZINC000163948036 334265969 /nfs/dbraw/zinc/26/59/69/334265969.db2.gz KLEXLZUFRFYJKF-KGLIPLIRSA-N 0 3 319.836 3.963 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCCN(c2ccccc2)CC1 ZINC000187731047 334269805 /nfs/dbraw/zinc/26/98/05/334269805.db2.gz MVYOGWUQIZLOHJ-KRWDZBQOSA-N 0 3 305.425 3.832 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000187730191 334270040 /nfs/dbraw/zinc/27/00/40/334270040.db2.gz RORHOFFECJCOJP-GOSISDBHSA-N 0 3 319.452 3.827 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1ncc(C)c(OC)c1C ZINC000303124981 334301089 /nfs/dbraw/zinc/30/10/89/334301089.db2.gz AUFNEGMTUYBHOV-UHFFFAOYSA-N 0 3 310.441 3.938 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(NC(C)=O)cc2)cc1 ZINC000120185723 334317687 /nfs/dbraw/zinc/31/76/87/334317687.db2.gz NCNRXZVQIZFRFO-HNNXBMFYSA-N 0 3 322.408 3.508 20 30 DHEDHN N#CCSCCCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000341575595 334463373 /nfs/dbraw/zinc/46/33/73/334463373.db2.gz RDUZIJINNBHAOG-ZDUSSCGKSA-N 0 3 302.365 3.917 20 30 DHEDHN N#Cc1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000342315454 334531543 /nfs/dbraw/zinc/53/15/43/334531543.db2.gz PAXVFPLZYMVENE-UHFFFAOYSA-N 0 3 319.408 3.796 20 30 DHEDHN Cc1cc(CNCCSCc2ccccc2C#N)ccc1C#N ZINC000443969932 338464765 /nfs/dbraw/zinc/46/47/65/338464765.db2.gz HPLRGNURAQYPLH-UHFFFAOYSA-N 0 3 321.449 3.761 20 30 DHEDHN C=C(C)CN1CCC(Nc2nc(C)nc3scc(C)c32)CC1 ZINC000124088988 334743530 /nfs/dbraw/zinc/74/35/30/334743530.db2.gz HXHUOWPPMOLWRM-UHFFFAOYSA-N 0 3 316.474 3.761 20 30 DHEDHN Cc1cc(CNCc2ccc(N3CCCCC3)nc2)ccc1C#N ZINC000443987888 338465658 /nfs/dbraw/zinc/46/56/58/338465658.db2.gz YLJKUQZQGPWZBU-UHFFFAOYSA-N 0 3 320.440 3.542 20 30 DHEDHN C[C@@H](N[C@H](CCO)C1CCCCC1)c1ccc(C#N)cc1F ZINC000330786939 334815432 /nfs/dbraw/zinc/81/54/32/334815432.db2.gz OFAGCNLQXCXDSI-FZKQIMNGSA-N 0 3 304.409 3.679 20 30 DHEDHN COc1ccc([C@@H](OC)[C@H](C)NCc2ccc(C#N)c(C)c2)cc1 ZINC000444001410 338466522 /nfs/dbraw/zinc/46/65/22/338466522.db2.gz YHDMFQUFRGRZFR-YWZLYKJASA-N 0 3 324.424 3.741 20 30 DHEDHN CN1CCC(Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000189947588 334917046 /nfs/dbraw/zinc/91/70/46/334917046.db2.gz YEUNBOPJUOXHAN-UHFFFAOYSA-N 0 3 307.397 3.857 20 30 DHEDHN C[C@@H](c1ccccc1)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC000344187981 335228811 /nfs/dbraw/zinc/22/88/11/335228811.db2.gz IEJYHANOIHDWHI-HOCLYGCPSA-N 0 3 311.454 3.545 20 30 DHEDHN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)C(C)C#N)cc1 ZINC000345625896 335337879 /nfs/dbraw/zinc/33/78/79/335337879.db2.gz JPWMAVJWYSFREW-BEFAXECRSA-N 0 3 321.424 3.742 20 30 DHEDHN CCCCCOc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000345853719 335355815 /nfs/dbraw/zinc/35/58/15/335355815.db2.gz VIGDNMZNYXEKCI-UONOGXRCSA-N 0 3 318.417 3.601 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000346019172 335365986 /nfs/dbraw/zinc/36/59/86/335365986.db2.gz VBDPUFRPOBRBME-CABCVRRESA-N 0 3 321.490 3.539 20 30 DHEDHN C=CC[C@H](CC)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000346019177 335365995 /nfs/dbraw/zinc/36/59/95/335365995.db2.gz VBDPUFRPOBRBME-LSDHHAIUSA-N 0 3 321.490 3.539 20 30 DHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(-n2ccnc2)cc1 ZINC000346364766 335406138 /nfs/dbraw/zinc/40/61/38/335406138.db2.gz ZFPBTFSEEAPQOJ-ZDUSSCGKSA-N 0 3 308.410 3.656 20 30 DHEDHN Cc1ccc([C@H](CNc2nc(C)ccc2C#N)N2CCCC2)cc1 ZINC000346818746 335443620 /nfs/dbraw/zinc/44/36/20/335443620.db2.gz DJZVGYAZIKBJGY-IBGZPJMESA-N 0 3 320.440 3.819 20 30 DHEDHN N#CCCCN[C@@H]1CCc2c1cc(Br)cc2Cl ZINC000346823590 335443917 /nfs/dbraw/zinc/44/39/17/335443917.db2.gz HHESAJRQHPELHI-CYBMUJFWSA-N 0 3 313.626 3.983 20 30 DHEDHN N#Cc1cc(Br)ccc1CN(CC1CC1)CC1CC1 ZINC000388901045 335616976 /nfs/dbraw/zinc/61/69/76/335616976.db2.gz LDNTYHVPCVGMJO-UHFFFAOYSA-N 0 3 319.246 3.943 20 30 DHEDHN Cc1cc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1C#N ZINC000349310277 335661842 /nfs/dbraw/zinc/66/18/42/335661842.db2.gz APMMMLRYVBHYGU-AWEZNQCLSA-N 0 3 319.408 3.602 20 30 DHEDHN C=C[C@@H](CC(=O)N(CCN(C)C)c1ccccc1)c1ccccc1 ZINC000536097664 335820054 /nfs/dbraw/zinc/82/00/54/335820054.db2.gz FZOGVRPARKYHFY-SFHVURJKSA-N 0 3 322.452 3.941 20 30 DHEDHN C=CCC[C@H](NC(=O)NC[C@H](N)c1ccccc1)c1ccccc1 ZINC000417919320 335854685 /nfs/dbraw/zinc/85/46/85/335854685.db2.gz ZBZIVZHIMZRHAQ-OALUTQOASA-N 0 3 323.440 3.693 20 30 DHEDHN Cc1cccc2c1OC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)C2 ZINC000520667024 336004351 /nfs/dbraw/zinc/00/43/51/336004351.db2.gz ZBHFJSGEJXQDIL-DYVFJYSZSA-N 0 3 310.372 3.660 20 30 DHEDHN C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccc2c(c1)CC(=O)N2 ZINC000329816849 336085399 /nfs/dbraw/zinc/08/53/99/336085399.db2.gz WIMDZZBPDGSLFO-UPJWGTAASA-N 0 3 315.417 3.721 20 30 DHEDHN Cc1nccn1CC[NH+]=C([O-])N1CCCC2(CCCCC2)CC1 ZINC000329839217 336088068 /nfs/dbraw/zinc/08/80/68/336088068.db2.gz JAKQMZYUKXBXDS-UHFFFAOYSA-N 0 3 318.465 3.542 20 30 DHEDHN C[C@@H]1CC[C@@H](NCC(=O)Nc2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000330120486 336115199 /nfs/dbraw/zinc/11/51/99/336115199.db2.gz BCLDYGVITBCRDK-GRYCIOLGSA-N 0 3 307.463 3.634 20 30 DHEDHN N#Cc1cccc(OCCCN2CCC=C(c3ccco3)C2)c1 ZINC000352563379 336224769 /nfs/dbraw/zinc/22/47/69/336224769.db2.gz QOUYMWNEDCOYDM-UHFFFAOYSA-N 0 3 308.381 3.709 20 30 DHEDHN Cn1cc(CN2CCC(C)(C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000352695064 336230864 /nfs/dbraw/zinc/23/08/64/336230864.db2.gz XSNDYMJIGFLEKR-UHFFFAOYSA-N 0 3 308.429 3.581 20 30 DHEDHN C=CC1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000532414849 336245593 /nfs/dbraw/zinc/24/55/93/336245593.db2.gz LZINPFFATMREEC-CQSZACIVSA-N 0 3 320.864 3.757 20 30 DHEDHN C=C(C)CN1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301178369 336293438 /nfs/dbraw/zinc/29/34/38/336293438.db2.gz NHOPEAQXNOBRMI-UHFFFAOYSA-N 0 3 309.797 3.701 20 30 DHEDHN Cc1cc(C)c2ncc(C#N)c(NC3CCN(C4CC4)CC3)c2c1 ZINC000301346508 336301715 /nfs/dbraw/zinc/30/17/15/336301715.db2.gz KPYQDKSXKRPDGV-UHFFFAOYSA-N 0 3 320.440 3.762 20 30 DHEDHN Cc1ccc([C@H](CNc2ccc(F)cc2C#N)N2CCCC2)o1 ZINC000301427165 336306007 /nfs/dbraw/zinc/30/60/07/336306007.db2.gz UNCZOCDPQZPGAF-KRWDZBQOSA-N 0 3 313.376 3.848 20 30 DHEDHN C[C@H]1CN(CCCCNc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000301710417 336324938 /nfs/dbraw/zinc/32/49/38/336324938.db2.gz HSECTMDZLKMJKB-KBPBESRZSA-N 0 3 321.852 3.513 20 30 DHEDHN CC(=O)c1ccc(C#N)c(N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1 ZINC000302107570 336348798 /nfs/dbraw/zinc/34/87/98/336348798.db2.gz OEAWZJFPZYSZES-SOUVJXGZSA-N 0 3 313.445 3.539 20 30 DHEDHN C=C(C)CN(CCc1scnc1C)Cc1cnn(C(C)C)c1 ZINC000352903828 336375650 /nfs/dbraw/zinc/37/56/50/336375650.db2.gz RUODCSUFOKGEDN-UHFFFAOYSA-N 0 3 318.490 3.850 20 30 DHEDHN C#CCOc1ccc(CNCc2ccccc2COCC)cc1 ZINC000113317827 336400833 /nfs/dbraw/zinc/40/08/33/336400833.db2.gz KUCTXCKIPJYMQA-UHFFFAOYSA-N 0 3 309.409 3.525 20 30 DHEDHN CO[C@H](CN[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000353243612 336407969 /nfs/dbraw/zinc/40/79/69/336407969.db2.gz RQPZJUGAZYZYAP-RBUKOAKNSA-N 0 3 310.372 3.662 20 30 DHEDHN N#CCCC[C@H](NCc1cccc2c1OCCO2)c1ccccc1 ZINC000353899585 336446767 /nfs/dbraw/zinc/44/67/67/336446767.db2.gz LXRCRZCLVASCLJ-SFHVURJKSA-N 0 3 322.408 3.983 20 30 DHEDHN C=CCCC1(C(=O)N(CC)Cc2ccc(CN(C)C)cc2)CC1 ZINC000355630541 336517103 /nfs/dbraw/zinc/51/71/03/336517103.db2.gz BQTIHRLZPFXXNN-UHFFFAOYSA-N 0 3 314.473 3.843 20 30 DHEDHN C[C@H](N[C@H]1CCCC[C@@H]1n1cccn1)c1ccc(C#N)cc1F ZINC000358565642 336634758 /nfs/dbraw/zinc/63/47/58/336634758.db2.gz ADTPWOXNOPLTHR-KKXDTOCCSA-N 0 3 312.392 3.728 20 30 DHEDHN C[C@@H](Cc1ccc(Br)cc1)NCC1(C#N)CCC1 ZINC000418144851 336896837 /nfs/dbraw/zinc/89/68/37/336896837.db2.gz VFIHVLHCDYWZRI-LBPRGKRZSA-N 0 3 307.235 3.664 20 30 DHEDHN Cc1cncc([C@@H](C)N[C@@H]2CCCN(c3ccccc3C#N)C2)c1 ZINC000375115553 337003667 /nfs/dbraw/zinc/00/36/67/337003667.db2.gz RAOOWXNAYSKHGO-VQIMIIECSA-N 0 3 320.440 3.581 20 30 DHEDHN Cc1n[nH]cc1C1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000375349626 337008708 /nfs/dbraw/zinc/00/87/08/337008708.db2.gz OGZKHPARBBEMNG-UHFFFAOYSA-N 0 3 322.456 3.899 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(c2ccccc2CO)CC1 ZINC000375556063 337013445 /nfs/dbraw/zinc/01/34/45/337013445.db2.gz CLCRXTGICCIBRD-INIZCTEOSA-N 0 3 320.436 3.991 20 30 DHEDHN N#Cc1ccc([C@H](O)CN2Cc3ccccc3C3(CCC3)C2)cc1 ZINC000375685743 337016470 /nfs/dbraw/zinc/01/64/70/337016470.db2.gz ULCPNNNLKFPIIX-HXUWFJFHSA-N 0 3 318.420 3.529 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCC([C@@H]2CCOC2)CC1 ZINC000376342136 337031765 /nfs/dbraw/zinc/03/17/65/337031765.db2.gz VOGKWTVDSLWGLU-GOSISDBHSA-N 0 3 312.457 3.736 20 30 DHEDHN CN1CCC[C@H](CNc2cc(C#N)ccn2)[C@@H]1c1cccs1 ZINC000376449695 337033715 /nfs/dbraw/zinc/03/37/15/337033715.db2.gz QINAIQZVJRFNJA-RHSMWYFYSA-N 0 3 312.442 3.510 20 30 DHEDHN CC1=C(C)CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000377085979 337046560 /nfs/dbraw/zinc/04/65/60/337046560.db2.gz GFJUSIICQGVNPS-UHFFFAOYSA-N 0 3 306.413 3.501 20 30 DHEDHN C=CCCC[C@@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000378443690 337072988 /nfs/dbraw/zinc/07/29/88/337072988.db2.gz JEGQXKVLDHAZBL-QGZVFWFLSA-N 0 3 314.473 3.760 20 30 DHEDHN CC(=O)N1CC[C@H](N[C@@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000378447444 337073139 /nfs/dbraw/zinc/07/31/39/337073139.db2.gz AMJNOPXUHGBMFD-LIRRHRJNSA-N 0 3 319.408 3.707 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](n2cc3ccccc3n2)C1 ZINC000378574144 337075901 /nfs/dbraw/zinc/07/59/01/337075901.db2.gz GGTDEUIDTBYLDB-KXBFYZLASA-N 0 3 316.408 3.916 20 30 DHEDHN C=CCC[C@@H](O)CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360037900 337084122 /nfs/dbraw/zinc/08/41/22/337084122.db2.gz SLDWHHVJMYGRIT-GDBMZVCRSA-N 0 3 300.402 3.682 20 30 DHEDHN Cc1ccc(-c2nc(CCNCc3ccc(C#N)s3)co2)cc1 ZINC000176960276 337153890 /nfs/dbraw/zinc/15/38/90/337153890.db2.gz JVSUEFSTVZUUDK-UHFFFAOYSA-N 0 3 323.421 3.916 20 30 DHEDHN COc1ccccc1C[C@@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000321013642 337170452 /nfs/dbraw/zinc/17/04/52/337170452.db2.gz ABBAFAWBXRKMKT-CQSZACIVSA-N 0 3 312.388 3.769 20 30 DHEDHN C=C(C)CN[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000179706327 337171298 /nfs/dbraw/zinc/17/12/98/337171298.db2.gz JGPKZCQGHPKLEG-OAHLLOKOSA-N 0 3 312.413 3.896 20 30 DHEDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(OCC#N)cc1)CCCO2 ZINC000180557103 337176453 /nfs/dbraw/zinc/17/64/53/337176453.db2.gz ZAFZANKRYBMJLF-IBGZPJMESA-N 0 3 322.408 3.901 20 30 DHEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000183242602 337192406 /nfs/dbraw/zinc/19/24/06/337192406.db2.gz QPEDLUNARRYMKF-UHFFFAOYSA-N 0 3 316.408 3.591 20 30 DHEDHN CCOc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1OC(F)F ZINC000185785526 337251198 /nfs/dbraw/zinc/25/11/98/337251198.db2.gz CXNACFOMZKBKOU-TZMCWYRMSA-N 0 3 324.371 3.859 20 30 DHEDHN COC(=O)c1ccccc1-c1ccc(CNCCCCC#N)o1 ZINC000187303309 337263930 /nfs/dbraw/zinc/26/39/30/337263930.db2.gz RCCJPOBUHUHPPK-UHFFFAOYSA-N 0 3 312.369 3.517 20 30 DHEDHN CC(C)N(CCc1nccs1)Cc1ccc(C#N)c(F)c1 ZINC000192129310 337303145 /nfs/dbraw/zinc/30/31/45/337303145.db2.gz QSUSXMBKGZWVQR-UHFFFAOYSA-N 0 3 303.406 3.607 20 30 DHEDHN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1cccc(C2CC2)c1 ZINC000580403046 337397096 /nfs/dbraw/zinc/39/70/96/337397096.db2.gz FVGWMTJQKABIES-AWEZNQCLSA-N 0 3 319.408 3.725 20 30 DHEDHN N#Cc1ccc(OCCN[C@H](CC(F)F)c2ccccc2)cc1 ZINC000420985226 337517668 /nfs/dbraw/zinc/51/76/68/337517668.db2.gz IDGWJPZLZDMAHN-QGZVFWFLSA-N 0 3 316.351 3.923 20 30 DHEDHN CCN(CC)[C@H](CNc1c(F)cc(C#N)cc1F)c1ccco1 ZINC000078613098 337602924 /nfs/dbraw/zinc/60/29/24/337602924.db2.gz FGSRZCACISDQKU-OAHLLOKOSA-N 0 3 319.355 3.924 20 30 DHEDHN C[C@H](NC[C@@H]1CC12CCSCC2)c1ccc(C#N)cc1F ZINC000421868964 337656838 /nfs/dbraw/zinc/65/68/38/337656838.db2.gz DGIHMOOWYWZWAL-JSGCOSHPSA-N 0 3 304.434 3.881 20 30 DHEDHN C=CCCCCCN(C)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423200231 337703612 /nfs/dbraw/zinc/70/36/12/337703612.db2.gz FAJWWDPUVASJGI-QGZVFWFLSA-N 0 3 302.462 3.917 20 30 DHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3c2cccc3Br)C1 ZINC000424125180 337749537 /nfs/dbraw/zinc/74/95/37/337749537.db2.gz NKXGWJQKMBAZRV-FIXISWKDSA-N 0 3 305.219 3.718 20 30 DHEDHN CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424134696 337753535 /nfs/dbraw/zinc/75/35/35/337753535.db2.gz YROOCSKVYLVFQY-RCBQFDQVSA-N 0 3 321.852 3.565 20 30 DHEDHN CCC(CC)(CNCc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000424188954 337803134 /nfs/dbraw/zinc/80/31/34/337803134.db2.gz MJIASUQWXGZDLL-UHFFFAOYSA-N 0 3 322.474 3.857 20 30 DHEDHN C=C(C)COCCN[C@H](Cc1ccncc1)c1cccs1 ZINC000424304274 337818197 /nfs/dbraw/zinc/81/81/97/337818197.db2.gz QQMYRMJCGNDMSX-MRXNPFEDSA-N 0 3 302.443 3.609 20 30 DHEDHN C[C@H](O)CN(CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC000516255212 338009005 /nfs/dbraw/zinc/00/90/05/338009005.db2.gz LYVDMBWJGWBEAJ-KRWDZBQOSA-N 0 3 300.446 3.734 20 30 DHEDHN CC(C)c1nnc(CCN[C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000426294426 338025055 /nfs/dbraw/zinc/02/50/55/338025055.db2.gz UJQMSHOAVFNULJ-NSHDSACASA-N 0 3 318.421 3.566 20 30 DHEDHN COCCN(CC#Cc1ccc(C(F)(F)F)cc1)CC(C)C ZINC000426386181 338029924 /nfs/dbraw/zinc/02/99/24/338029924.db2.gz VXCJUKCGGHRVLL-UHFFFAOYSA-N 0 3 313.363 3.661 20 30 DHEDHN FC(F)(F)Oc1ccc(C#CCN2CC[C@H]3CCC[C@H]32)cc1 ZINC000426458361 338032745 /nfs/dbraw/zinc/03/27/45/338032745.db2.gz JHCJFHHASODFPF-GDBMZVCRSA-N 0 3 309.331 3.811 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]32)c(Br)c1 ZINC000426522510 338034139 /nfs/dbraw/zinc/03/41/39/338034139.db2.gz KHFNEPRYEUJXBO-DOMZBBRYSA-N 0 3 305.219 3.695 20 30 DHEDHN CCCN(Cc1cccc(F)c1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000428220054 338042886 /nfs/dbraw/zinc/04/28/86/338042886.db2.gz ZZZBQNCOSSTLGO-OLMNPRSZSA-N 0 3 316.420 3.723 20 30 DHEDHN C=CCC[C@H](NCCCNC(=O)c1cccs1)c1ccco1 ZINC000428470054 338053883 /nfs/dbraw/zinc/05/38/83/338053883.db2.gz YJMARSPJUVUSSG-AWEZNQCLSA-N 0 3 318.442 3.758 20 30 DHEDHN COc1ccc(CN[C@H]2CC23CCCC3)cc1OCCCC#N ZINC000428540527 338055782 /nfs/dbraw/zinc/05/57/82/338055782.db2.gz NWRMSYXGLJIXEG-SFHVURJKSA-N 0 3 314.429 3.800 20 30 DHEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)c1ccccc1 ZINC000428851562 338062446 /nfs/dbraw/zinc/06/24/46/338062446.db2.gz RXUDLVLIWRZOTC-VQIMIIECSA-N 0 3 315.461 3.512 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000429865204 338091296 /nfs/dbraw/zinc/09/12/96/338091296.db2.gz GTGDIBBTEOKQHN-OAHLLOKOSA-N 0 3 308.491 3.850 20 30 DHEDHN Cc1cc(C)c(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000430176580 338099818 /nfs/dbraw/zinc/09/98/18/338099818.db2.gz IIDOBRTVPCBDJE-IBGZPJMESA-N 0 3 321.424 3.532 20 30 DHEDHN CCCc1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430185370 338100001 /nfs/dbraw/zinc/10/00/01/338100001.db2.gz HFRVDYKLQDURRJ-LJQANCHMSA-N 0 3 321.424 3.559 20 30 DHEDHN COc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430631561 338110169 /nfs/dbraw/zinc/11/01/69/338110169.db2.gz UVLADANMMMSUFW-ZDUSSCGKSA-N 0 3 314.410 3.939 20 30 DHEDHN N#CCC1(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000430740866 338112995 /nfs/dbraw/zinc/11/29/95/338112995.db2.gz QUAFBNGRGKHUCT-AWEZNQCLSA-N 0 3 309.335 3.761 20 30 DHEDHN C=CCN(Cc1ccccc1)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000431771671 338138362 /nfs/dbraw/zinc/13/83/62/338138362.db2.gz OVJLXXHIRKVPSP-FQEVSTJZSA-N 0 3 322.452 3.894 20 30 DHEDHN CN(C)[C@H]1CCOc2c(NCc3ccc(C#N)s3)cccc21 ZINC000433204785 338185789 /nfs/dbraw/zinc/18/57/89/338185789.db2.gz ATIMNZWCACUWBI-INIZCTEOSA-N 0 3 313.426 3.617 20 30 DHEDHN C[C@H](c1ccccc1)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433223051 338186489 /nfs/dbraw/zinc/18/64/89/338186489.db2.gz ZULZBIRRWWGANB-APWZRJJASA-N 0 3 306.409 3.979 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000433315054 338191877 /nfs/dbraw/zinc/19/18/77/338191877.db2.gz XBASKMGTDGWICO-OALUTQOASA-N 0 3 310.441 3.940 20 30 DHEDHN CS[C@@H]1CCC[C@@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000433340589 338193194 /nfs/dbraw/zinc/19/31/94/338193194.db2.gz FAHAMUYJERNYDN-BRWVUGGUSA-N 0 3 316.470 3.549 20 30 DHEDHN Cc1ccc(CN(C)C(=O)C(C#N)CCc2ccccc2)s1 ZINC000433345731 338193516 /nfs/dbraw/zinc/19/35/16/338193516.db2.gz YTEIVKZUNOEEOI-INIZCTEOSA-N 0 3 312.438 3.788 20 30 DHEDHN C=CCOc1cccc(CNC2(CC(=O)OCC)CCCC2)c1 ZINC000435297695 338236730 /nfs/dbraw/zinc/23/67/30/338236730.db2.gz KVRZYFANATTXNV-UHFFFAOYSA-N 0 3 317.429 3.607 20 30 DHEDHN C[C@H](C1CC1)N(Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000437393580 338308716 /nfs/dbraw/zinc/30/87/16/338308716.db2.gz GPZFCVPNYMQZQH-LLVKDONJSA-N 0 3 306.356 3.923 20 30 DHEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)c(OC(F)F)c1 ZINC000437657231 338317429 /nfs/dbraw/zinc/31/74/29/338317429.db2.gz UOCMYASQGKEODP-OKILXGFUSA-N 0 3 306.356 3.782 20 30 DHEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@H]3C2)c(OC(F)F)c1 ZINC000437657229 338317458 /nfs/dbraw/zinc/31/74/58/338317458.db2.gz UOCMYASQGKEODP-KBPBESRZSA-N 0 3 306.356 3.782 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@H](Cc2ccccc2)C1 ZINC000438062556 338329479 /nfs/dbraw/zinc/32/94/79/338329479.db2.gz WTUVDDKWYCSZAR-GOSISDBHSA-N 0 3 306.409 3.631 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)[C@@H](C)C1(C)CC1)C(C)C ZINC000439178455 338363362 /nfs/dbraw/zinc/36/33/62/338363362.db2.gz OYCZMILDJCKECD-IRXDYDNUSA-N 0 3 321.509 3.515 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]2C2CCOCC2)c(Cl)c1 ZINC000439448882 338369884 /nfs/dbraw/zinc/36/98/84/338369884.db2.gz GXSNLLAWYVRMQQ-KRWDZBQOSA-N 0 3 304.821 3.603 20 30 DHEDHN COCC[C@@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439456688 338370152 /nfs/dbraw/zinc/37/01/52/338370152.db2.gz ZFEOMCZQMSWCCN-AWEZNQCLSA-N 0 3 306.837 3.850 20 30 DHEDHN COc1cc(CN[C@H](C)COc2c(C)cccc2C)ccc1C#N ZINC000440810018 338398029 /nfs/dbraw/zinc/39/80/29/338398029.db2.gz BWXVLKSGDADQQN-MRXNPFEDSA-N 0 3 324.424 3.741 20 30 DHEDHN COc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1OC1CCCC1 ZINC000442791585 338431757 /nfs/dbraw/zinc/43/17/57/338431757.db2.gz OBVDAFSNAMLUSF-GDBMZVCRSA-N 0 3 314.429 3.798 20 30 DHEDHN Cc1c(CN2CCSCC2)cccc1N[C@H]1CC[C@H](C#N)C1 ZINC000442851837 338434652 /nfs/dbraw/zinc/43/46/52/338434652.db2.gz GWTJPKKCARSPOY-RDJZCZTQSA-N 0 3 315.486 3.648 20 30 DHEDHN C=CCC1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CCCCC1 ZINC000448932357 338580279 /nfs/dbraw/zinc/58/02/79/338580279.db2.gz IIGZTMCPJWVCMO-QGZVFWFLSA-N 0 3 304.478 3.600 20 30 DHEDHN C=CCCCC[C@H](C)N[C@@H]1CCCc2cn(CCOC)nc21 ZINC000449242750 338605860 /nfs/dbraw/zinc/60/58/60/338605860.db2.gz GKQPSQVZPNNAQH-DOTOQJQBSA-N 0 3 305.466 3.631 20 30 DHEDHN C=CC[C@H](C)[C@H](C)NCc1nc(C)c(Br)s1 ZINC000449402777 338621209 /nfs/dbraw/zinc/62/12/09/338621209.db2.gz SKOXXZGVBUBXKD-IUCAKERBSA-N 0 3 303.269 3.904 20 30 DHEDHN COc1cc(F)cc(C[C@@H](C)NCc2ccc(C#N)cc2F)c1 ZINC000449779750 338652353 /nfs/dbraw/zinc/65/23/53/338652353.db2.gz FACBXVXNTWVNIT-GFCCVEGCSA-N 0 3 316.351 3.566 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC(Cc3c(F)cccc3F)CC2)C1 ZINC000451968725 338749590 /nfs/dbraw/zinc/74/95/90/338749590.db2.gz UOQPEGJWODEZQP-CABCVRRESA-N 0 3 304.384 3.912 20 30 DHEDHN C[C@@H]1C[C@@]1(C#N)c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000453027229 338786771 /nfs/dbraw/zinc/78/67/71/338786771.db2.gz MHZMZTHMOOJRDZ-KUHUBIRLSA-N 0 3 322.412 3.524 20 30 DHEDHN CC[C@H](COCC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1F ZINC000453258048 338815228 /nfs/dbraw/zinc/81/52/28/338815228.db2.gz NUOGKWJSQNBBQW-ZYHUDNBSSA-N 0 3 318.314 3.705 20 30 DHEDHN C=CCCCCN[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000471593167 339021091 /nfs/dbraw/zinc/02/10/91/339021091.db2.gz JGDMYJKZHAQVEZ-ZDUSSCGKSA-N 0 3 302.397 3.722 20 30 DHEDHN C=CC[C@H](CC)N[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000467409870 339024024 /nfs/dbraw/zinc/02/40/24/339024024.db2.gz BCVJBKFNGRWDSO-WFASDCNBSA-N 0 3 302.397 3.720 20 30 DHEDHN N#CCCC[C@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000459482687 339031846 /nfs/dbraw/zinc/03/18/46/339031846.db2.gz DCFCNOJUFBVYFQ-KRWDZBQOSA-N 0 3 322.412 3.584 20 30 DHEDHN CC(C)CN(Cc1cnn(C)c1)Cc1ccccc1C(C)(C)C#N ZINC000459596553 339037902 /nfs/dbraw/zinc/03/79/02/339037902.db2.gz SCJQJZJTHYKDKM-UHFFFAOYSA-N 0 3 324.472 3.879 20 30 DHEDHN CC(C)(CC#N)CNCc1cnc(CCc2ccccc2)s1 ZINC000459684447 339043028 /nfs/dbraw/zinc/04/30/28/339043028.db2.gz CMBUFQHFRXVRQM-UHFFFAOYSA-N 0 3 313.470 3.958 20 30 DHEDHN CCC[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCC1 ZINC000459802434 339049336 /nfs/dbraw/zinc/04/93/36/339049336.db2.gz MKALAKDHQNVMTO-INIZCTEOSA-N 0 3 310.401 3.667 20 30 DHEDHN C=CCOc1cccc(CNC[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000462739277 339086126 /nfs/dbraw/zinc/08/61/26/339086126.db2.gz NXVMCTUPHDADJY-OAHLLOKOSA-N 0 3 315.388 3.948 20 30 DHEDHN C=CCOc1ccc(CNC[C@@](C)(OC)C2CC2)cc1Cl ZINC000462909548 339097456 /nfs/dbraw/zinc/09/74/56/339097456.db2.gz IJCLWRJQRFZBDR-QGZVFWFLSA-N 0 3 309.837 3.810 20 30 DHEDHN C=CCOc1ccccc1CNC[C@H](CO)CC1CCCC1 ZINC000466416432 339203530 /nfs/dbraw/zinc/20/35/30/339203530.db2.gz JYDNSWOHZORKIR-QGZVFWFLSA-N 0 3 303.446 3.530 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000467904729 339249002 /nfs/dbraw/zinc/24/90/02/339249002.db2.gz WBZWCZMRANWJSK-UYAOXDASSA-N 0 3 314.473 3.616 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000468107668 339254171 /nfs/dbraw/zinc/25/41/71/339254171.db2.gz GYWCCJLCIVDFMF-KVSKMBFKSA-N 0 3 300.446 3.540 20 30 DHEDHN C=CCOCCCNC(C)(C)c1ccccc1Br ZINC000470755892 339326814 /nfs/dbraw/zinc/32/68/14/339326814.db2.gz MDSAVZLNPQRDQW-UHFFFAOYSA-N 0 3 312.251 3.867 20 30 DHEDHN C=CCCCCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000471601540 339349086 /nfs/dbraw/zinc/34/90/86/339349086.db2.gz JWIOWENWAHCBMI-ZDUSSCGKSA-N 0 3 304.825 3.928 20 30 DHEDHN C=CCCCCN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000471615259 339349655 /nfs/dbraw/zinc/34/96/55/339349655.db2.gz QNLZGKOJUMMTRN-QZTJIDSGSA-N 0 3 322.880 3.658 20 30 DHEDHN C[C@@H](N[C@@H]1CCCC1(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000472609493 339375121 /nfs/dbraw/zinc/37/51/21/339375121.db2.gz JVQQMQDFMDXNGT-IAQYHMDHSA-N 0 3 319.836 3.707 20 30 DHEDHN C=CCC[C@H](O)CN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000472775597 339377206 /nfs/dbraw/zinc/37/72/06/339377206.db2.gz QCDLHNRVASPFCZ-HNNXBMFYSA-N 0 3 313.363 3.997 20 30 DHEDHN COc1cccc(C=C2CCN(CCCSCC#N)CC2)c1 ZINC000472943324 339379307 /nfs/dbraw/zinc/37/93/07/339379307.db2.gz VDEWGEAETRIAAV-UHFFFAOYSA-N 0 3 316.470 3.821 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000473826485 339392806 /nfs/dbraw/zinc/39/28/06/339392806.db2.gz FCDKIQNTVLIDOD-KRWDZBQOSA-N 0 3 324.852 3.821 20 30 DHEDHN N#Cc1ccc(CN2CCC(c3ccc(O)cc3)CC2)cc1F ZINC000483548761 339668783 /nfs/dbraw/zinc/66/87/83/339668783.db2.gz XJRZAXRSGLZJTE-UHFFFAOYSA-N 0 3 310.372 3.783 20 30 DHEDHN C=CCN(CC=C)[C@H](CNc1ncnc2sccc21)C(C)C ZINC000485892129 339715569 /nfs/dbraw/zinc/71/55/69/339715569.db2.gz UUNVUROQIYFGNR-OAHLLOKOSA-N 0 3 316.474 3.802 20 30 DHEDHN C=C(C)[C@H](NCCCSCCOC)c1ccc(F)c(F)c1 ZINC000488032886 339768626 /nfs/dbraw/zinc/76/86/26/339768626.db2.gz ARZRJOBLHMOQHY-INIZCTEOSA-N 0 3 315.429 3.941 20 30 DHEDHN Cc1cc(CN2CCC(N(C)c3ccccc3)CC2)ccc1C#N ZINC000488205084 339773246 /nfs/dbraw/zinc/77/32/46/339773246.db2.gz SUFBKLPWNMRABB-UHFFFAOYSA-N 0 3 319.452 3.968 20 30 DHEDHN C=CCC[C@H](C(=O)NCCN1CCCCCC1)c1ccccc1 ZINC000495016720 339970258 /nfs/dbraw/zinc/97/02/58/339970258.db2.gz ISFBGFQSGWNWSJ-IBGZPJMESA-N 0 3 314.473 3.729 20 30 DHEDHN C=CCN1CC[C@H](N2CCC[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000499584177 340039955 /nfs/dbraw/zinc/03/99/55/340039955.db2.gz REZKMNWRMYCCNK-MOPGFXCFSA-N 0 3 312.457 3.734 20 30 DHEDHN C=CCN1CC[C@H](N2CCC[C@H]2c2ccc(C(C)C)cc2)C1=O ZINC000499584178 340040011 /nfs/dbraw/zinc/04/00/11/340040011.db2.gz REZKMNWRMYCCNK-OALUTQOASA-N 0 3 312.457 3.734 20 30 DHEDHN C=CCN1CC[C@@H](NC(C)(C)c2ccc(C(C)(C)C)cc2)C1=O ZINC000499602423 340040534 /nfs/dbraw/zinc/04/05/34/340040534.db2.gz MRMDRNJHENDOJQ-QGZVFWFLSA-N 0 3 314.473 3.596 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@@H](CCC)CC2CCCC2)CC1 ZINC000499833120 340045488 /nfs/dbraw/zinc/04/54/88/340045488.db2.gz LHQZFWOAPDPLSG-KRWDZBQOSA-N 0 3 306.494 3.750 20 30 DHEDHN COc1cc(C#N)ccc1CN1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000501199531 340076112 /nfs/dbraw/zinc/07/61/12/340076112.db2.gz AQXDLNWAUOMCEL-KXBFYZLASA-N 0 3 306.409 3.945 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000501245367 340077029 /nfs/dbraw/zinc/07/70/29/340077029.db2.gz XORODZBBCKABCT-MRXNPFEDSA-N 0 3 310.372 3.695 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000502563218 340107836 /nfs/dbraw/zinc/10/78/36/340107836.db2.gz LFSPLKQEMUNNEY-MAUKXSAKSA-N 0 3 320.452 3.926 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccccc1F)C(C)C ZINC000503434201 340128172 /nfs/dbraw/zinc/12/81/72/340128172.db2.gz DTMLLOOWQJZWGB-KRWDZBQOSA-N 0 3 319.424 3.646 20 30 DHEDHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000504992767 340158156 /nfs/dbraw/zinc/15/81/56/340158156.db2.gz VPSRVUQYSYPFCB-RDJZCZTQSA-N 0 3 302.462 3.705 20 30 DHEDHN C=CCCc1ccccc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000505000236 340158252 /nfs/dbraw/zinc/15/82/52/340158252.db2.gz BCVGRBFZZBLWTK-UHFFFAOYSA-N 0 3 313.445 3.554 20 30 DHEDHN CCCOc1ccc(OCCN(C)Cc2cccc(C#N)c2)cc1 ZINC000506132149 340186423 /nfs/dbraw/zinc/18/64/23/340186423.db2.gz SEGNPSQUJKEHEB-UHFFFAOYSA-N 0 3 324.424 3.858 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000507494093 340222691 /nfs/dbraw/zinc/22/26/91/340222691.db2.gz INWNAOTUAVDLSM-HUUCEWRRSA-N 0 3 320.502 3.872 20 30 DHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@@H](CC)C1 ZINC000507779030 340231069 /nfs/dbraw/zinc/23/10/69/340231069.db2.gz TYQSNCBSQXMOHI-WMZOPIPTSA-N 0 3 318.417 3.788 20 30 DHEDHN C=CCN(CCC(=O)Nc1ccccc1)CCc1ccccc1 ZINC000302963429 340290779 /nfs/dbraw/zinc/29/07/79/340290779.db2.gz GZWGDZQDCLUGJX-UHFFFAOYSA-N 0 3 308.425 3.746 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000510686116 340306593 /nfs/dbraw/zinc/30/65/93/340306593.db2.gz UGZGBTMZPRAECS-JXFKEZNVSA-N 0 3 313.416 3.998 20 30 DHEDHN C=C(C)CCN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000510744251 340309158 /nfs/dbraw/zinc/30/91/58/340309158.db2.gz FETMOMKAORXMIP-ZDUSSCGKSA-N 0 3 307.743 3.948 20 30 DHEDHN C=C(C)CCN(CCOC)Cc1cc(Br)cs1 ZINC000510760629 340310135 /nfs/dbraw/zinc/31/01/35/340310135.db2.gz CGNYOZDSUJAJOW-UHFFFAOYSA-N 0 3 318.280 3.925 20 30 DHEDHN CSc1ccccc1CN(C)CCOc1cccc(C#N)c1 ZINC000511114143 340321136 /nfs/dbraw/zinc/32/11/36/340321136.db2.gz GZOBKEINHAENLJ-UHFFFAOYSA-N 0 3 312.438 3.791 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H]2CCCC[C@@H]2C)CC1 ZINC000512059481 340347098 /nfs/dbraw/zinc/34/70/98/340347098.db2.gz QOJIJBLZPPTXKO-DLBZAZTESA-N 0 3 321.509 3.543 20 30 DHEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCCC(F)(F)C1 ZINC000512161063 340350272 /nfs/dbraw/zinc/35/02/72/340350272.db2.gz CTOMMUAXOJUKAE-AWEZNQCLSA-N 0 3 313.388 3.976 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000512568549 340367317 /nfs/dbraw/zinc/36/73/17/340367317.db2.gz IDDXORIDKTWVSA-UHFFFAOYSA-N 0 3 312.369 3.758 20 30 DHEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512621564 340369463 /nfs/dbraw/zinc/36/94/63/340369463.db2.gz ZIJRXUQIHWJDRO-SGTLLEGYSA-N 0 3 316.351 3.875 20 30 DHEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512621565 340369591 /nfs/dbraw/zinc/36/95/91/340369591.db2.gz ZIJRXUQIHWJDRO-XIKOKIGWSA-N 0 3 316.351 3.875 20 30 DHEDHN C[C@H](NCCOc1ccc(F)c(F)c1)c1ccc(C#N)cc1F ZINC000512632258 340370118 /nfs/dbraw/zinc/37/01/18/340370118.db2.gz YIGZVFPTBRGLHZ-NSHDSACASA-N 0 3 320.314 3.705 20 30 DHEDHN C[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccc(C#N)cc1F ZINC000512642478 340370562 /nfs/dbraw/zinc/37/05/62/340370562.db2.gz QCCXWFKBDYPCRA-ASTDHERZSA-N 0 3 302.393 3.552 20 30 DHEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000512659591 340371576 /nfs/dbraw/zinc/37/15/76/340371576.db2.gz IJACOLIXSLCKJP-CHWSQXEVSA-N 0 3 316.351 3.955 20 30 DHEDHN C[C@@H](NCCN1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512666197 340372091 /nfs/dbraw/zinc/37/20/91/340372091.db2.gz JFCKDTJZWSOXEA-QLFBSQMISA-N 0 3 303.425 3.611 20 30 DHEDHN COc1cccc(C2=CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000512668714 340372253 /nfs/dbraw/zinc/37/22/53/340372253.db2.gz NFQZJWIAMJECBV-UHFFFAOYSA-N 0 3 304.393 3.856 20 30 DHEDHN C[C@H](NCCc1cc(F)ccc1F)c1ccc(C#N)cc1F ZINC000512672889 340372450 /nfs/dbraw/zinc/37/24/50/340372450.db2.gz NEIJKCZANQUBJQ-NSHDSACASA-N 0 3 304.315 3.869 20 30 DHEDHN C=CCOc1cccc(CN[C@H](C)c2ccc3n[nH]cc3c2)c1 ZINC000513034716 340389909 /nfs/dbraw/zinc/38/99/09/340389909.db2.gz BVHPEKMYVUCDNX-CQSZACIVSA-N 0 3 307.397 3.979 20 30 DHEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCc1ccccc1C#N ZINC000513075687 340392203 /nfs/dbraw/zinc/39/22/03/340392203.db2.gz LZQBEWXWXUMXSV-IOMROCGXSA-N 0 3 320.436 3.999 20 30 DHEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1ccccc1C#N ZINC000513075688 340392265 /nfs/dbraw/zinc/39/22/65/340392265.db2.gz LZQBEWXWXUMXSV-JRGCBEDISA-N 0 3 320.436 3.999 20 30 DHEDHN COC(=O)C[C@](C)(NCCCC(C)(C)C#N)c1cccc(F)c1 ZINC000513128241 340394499 /nfs/dbraw/zinc/39/44/99/340394499.db2.gz PCZMBLHSAJFIDX-SFHVURJKSA-N 0 3 320.408 3.524 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000185135301 340498393 /nfs/dbraw/zinc/49/83/93/340498393.db2.gz ZRZBGDIQMWQCAL-HOCLYGCPSA-N 0 3 308.491 3.850 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000539299400 340879953 /nfs/dbraw/zinc/87/99/53/340879953.db2.gz ZOKJIHFEAZWARC-FUHWJXTLSA-N 0 3 315.457 3.987 20 30 DHEDHN C=CC[C@H](CO)CN[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000539510364 340888607 /nfs/dbraw/zinc/88/86/07/340888607.db2.gz YGDGHWPJBYEHLS-KGLIPLIRSA-N 0 3 303.402 3.667 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000539510363 340888618 /nfs/dbraw/zinc/88/86/18/340888618.db2.gz YGDGHWPJBYEHLS-KBPBESRZSA-N 0 3 303.402 3.667 20 30 DHEDHN Cc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1C ZINC000540385391 340928872 /nfs/dbraw/zinc/92/88/72/340928872.db2.gz DNAULEKYORGNCK-CVEARBPZSA-N 0 3 321.424 3.853 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@H](CC(C)C)c1cccs1 ZINC000541626198 340978486 /nfs/dbraw/zinc/97/84/86/340978486.db2.gz ICOZOSMJHZFLKC-OAHLLOKOSA-N 0 3 308.491 3.850 20 30 DHEDHN C[C@@]1(NCC#Cc2ccc(C(F)(F)F)cc2)CCO[C@H]1C1CC1 ZINC000542312767 341004148 /nfs/dbraw/zinc/00/41/48/341004148.db2.gz CXXXKDBNHPIOHH-DLBZAZTESA-N 0 3 323.358 3.604 20 30 DHEDHN CCCCOc1ccc(CN2CCC(CC#N)CC2)cc1OC ZINC000543780041 341058469 /nfs/dbraw/zinc/05/84/69/341058469.db2.gz HIGBXPNKDBKSEL-UHFFFAOYSA-N 0 3 316.445 4.000 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(OCCCC#N)c1 ZINC000131173303 341063673 /nfs/dbraw/zinc/06/36/73/341063673.db2.gz JDELDCVBSHXEPK-UHFFFAOYSA-N 0 3 319.408 3.873 20 30 DHEDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(CC#N)cc1 ZINC000544068356 341069035 /nfs/dbraw/zinc/06/90/35/341069035.db2.gz JUBTZTOPGURPID-FOIQADDNSA-N 0 3 306.409 3.577 20 30 DHEDHN C=CCC[C@H](C)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000544605528 341088431 /nfs/dbraw/zinc/08/84/31/341088431.db2.gz ANTNPLSBENWMQT-WBAXXEDZSA-N 0 3 322.880 3.656 20 30 DHEDHN Cc1cccc(C)c1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000544893694 341097581 /nfs/dbraw/zinc/09/75/81/341097581.db2.gz ICNMXDRSBQJCSJ-JKSUJKDBSA-N 0 3 321.424 3.853 20 30 DHEDHN C=CCN1CCC(Nc2ncccc2OCc2ccccc2)CC1 ZINC000545475132 341126711 /nfs/dbraw/zinc/12/67/11/341126711.db2.gz VWVJPTTXANMFBY-UHFFFAOYSA-N 0 3 323.440 3.723 20 30 DHEDHN CCCCN(CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000132669481 341139054 /nfs/dbraw/zinc/13/90/54/341139054.db2.gz JGZGYVQQTOARDE-LBPRGKRZSA-N 0 3 319.474 3.557 20 30 DHEDHN C=CC[C@@H](CO)NCc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000547375382 341209749 /nfs/dbraw/zinc/20/97/49/341209749.db2.gz SJDRVADXDLZGCO-INIZCTEOSA-N 0 3 319.351 3.784 20 30 DHEDHN Cc1c(Br)cccc1C(=O)C(C#N)c1ccccn1 ZINC000076824729 341214551 /nfs/dbraw/zinc/21/45/51/341214551.db2.gz ACFZZXUOLJWNLT-LBPRGKRZSA-N 0 3 315.170 3.643 20 30 DHEDHN C=CC[C@H](C(=O)N1CCCN(C(C)(C)C)CC1)c1ccccc1 ZINC000547650906 341225175 /nfs/dbraw/zinc/22/51/75/341225175.db2.gz PGRIAIUNRNMWLW-SFHVURJKSA-N 0 3 314.473 3.679 20 30 DHEDHN CC(C)CO[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135287962 341235577 /nfs/dbraw/zinc/23/55/77/341235577.db2.gz XZSAVBMYQJCGNH-QGZVFWFLSA-N 0 3 300.446 3.735 20 30 DHEDHN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCC(C)(C)C#N ZINC000547841209 341236956 /nfs/dbraw/zinc/23/69/56/341236956.db2.gz DYZKIFXYXLOAKZ-XHSDSOJGSA-N 0 3 320.477 3.901 20 30 DHEDHN C[C@@H](NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000549225324 341289105 /nfs/dbraw/zinc/28/91/05/341289105.db2.gz IDHMKJRNJIHKGE-LXTVHRRPSA-N 0 3 304.409 3.942 20 30 DHEDHN Cc1cc(C)c(C#N)c(S[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000550002092 341308580 /nfs/dbraw/zinc/30/85/80/341308580.db2.gz FBBXOSBJKFXYRB-QGZVFWFLSA-N 0 3 323.465 3.937 20 30 DHEDHN COC(=O)c1cccc(CN(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000550443992 341317194 /nfs/dbraw/zinc/31/71/94/341317194.db2.gz JKKHPWUKBVOWGH-UHFFFAOYSA-N 0 3 322.408 3.755 20 30 DHEDHN N#Cc1cccc(C2(NCCCOCc3ccccc3)CC2)c1 ZINC000551713953 341349751 /nfs/dbraw/zinc/34/97/51/341349751.db2.gz OMONCQYSLQTACW-UHFFFAOYSA-N 0 3 306.409 3.744 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000248610079 341381411 /nfs/dbraw/zinc/38/14/11/341381411.db2.gz FOWVKFIJUUMWFN-QZTJIDSGSA-N 0 3 314.473 3.712 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000249097672 341393872 /nfs/dbraw/zinc/39/38/72/341393872.db2.gz OSBHQJFDDHTHQD-XKGZKEIXSA-N 0 3 314.473 3.758 20 30 DHEDHN COc1cc2c(cc1F)CC[C@H]2N[C@@H]1CCc2ccc(C#N)cc21 ZINC000555002491 341472519 /nfs/dbraw/zinc/47/25/19/341472519.db2.gz GOVWIAFGEPFWBP-RTBURBONSA-N 0 3 322.383 3.970 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000565965192 341543891 /nfs/dbraw/zinc/54/38/91/341543891.db2.gz RJVRCXXEZFUGSY-XJKSGUPXSA-N 0 3 308.853 3.661 20 30 DHEDHN CN1CC[C@H](NCC#Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000566038255 341546143 /nfs/dbraw/zinc/54/61/43/341546143.db2.gz LMQKXTJEXOCTRB-PMACEKPBSA-N 0 3 324.855 3.727 20 30 DHEDHN Cc1cccc(C)c1OC[C@@H](C)NCc1ccc(C#N)s1 ZINC000176954943 341906805 /nfs/dbraw/zinc/90/68/05/341906805.db2.gz ATHGRMFYDRHDNR-CQSZACIVSA-N 0 3 300.427 3.794 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](c1ccccc1)[C@@H]1CCOC1)CC2 ZINC000564759551 518196591 /nfs/dbraw/zinc/19/65/91/518196591.db2.gz BFNJGSVZIBODLS-HMXCVIKNSA-N 0 3 318.420 3.913 20 30 DHEDHN CC(=O)c1ccc2c(c1)CCN([C@H](C)c1cccc(C#N)c1)CC2 ZINC000364137979 518413365 /nfs/dbraw/zinc/41/33/65/518413365.db2.gz WSNKFSZCCKMRKZ-OAHLLOKOSA-N 0 3 318.420 3.923 20 30 DHEDHN CCN(CC)[C@@H](CNc1snc(Cl)c1C#N)c1ccco1 ZINC000264692350 520839378 /nfs/dbraw/zinc/83/93/78/520839378.db2.gz NWDOEDGWOREULJ-NSHDSACASA-N 0 3 324.837 3.756 20 30 DHEDHN COc1cc(CN(C)[C@H](C)c2ccc(C#N)cc2)cc(OC)c1 ZINC000265526936 522360599 /nfs/dbraw/zinc/36/05/99/522360599.db2.gz OZUURKOISFMASK-CQSZACIVSA-N 0 3 310.397 3.768 20 30 DHEDHN COc1ccc(CN2CC[C@H](c3ccccc3F)C2)cc1C#N ZINC000339375877 524037647 /nfs/dbraw/zinc/03/76/47/524037647.db2.gz KESGQNHJWAQAIY-HNNXBMFYSA-N 0 3 310.372 3.695 20 30 DHEDHN C[C@@H]1CCC[C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1C ZINC000162941455 524409702 /nfs/dbraw/zinc/40/97/02/524409702.db2.gz JNTPVYMLFVZVTD-IOASZLSFSA-N 0 3 310.401 3.523 20 30 DHEDHN Cc1cc(F)cc2c1ncc(C#N)c2NC1CCN(C2CC2)CC1 ZINC000266069300 524960477 /nfs/dbraw/zinc/96/04/77/524960477.db2.gz IDNAQTFWKSDACM-UHFFFAOYSA-N 0 3 324.403 3.593 20 30 DHEDHN C[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000181867907 525311390 /nfs/dbraw/zinc/31/13/90/525311390.db2.gz SVUPEGSLKVTOQC-ZDUSSCGKSA-N 0 3 317.433 3.512 20 30 DHEDHN C[C@H](NCc1ccnc(N2CCCCC2)c1)c1cccc(C#N)c1 ZINC000181524212 525471176 /nfs/dbraw/zinc/47/11/76/525471176.db2.gz JEHCWNFWJLFICE-INIZCTEOSA-N 0 3 320.440 3.794 20 30 DHEDHN N#Cc1ccc(CN2CCC(Nc3cccc(F)c3)CC2)cc1 ZINC000182684141 526609659 /nfs/dbraw/zinc/60/96/59/526609659.db2.gz ABRDTBCAUZKDDD-UHFFFAOYSA-N 0 3 309.388 3.774 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000161997149 526625576 /nfs/dbraw/zinc/62/55/76/526625576.db2.gz GIJXWXDFVCFARW-CHWSQXEVSA-N 0 3 300.299 3.908 20 30 DHEDHN Cn1cc(CNCc2ccc(OC3CCCCC3)cc2)cc1C#N ZINC000190915786 527218068 /nfs/dbraw/zinc/21/80/68/527218068.db2.gz HBDRYAWPJLJBOV-UHFFFAOYSA-N 0 3 323.440 3.898 20 30 DHEDHN C=CCC[C@@H](CCC)[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823894807 609249707 /nfs/dbraw/zinc/24/97/07/609249707.db2.gz XKFDUYPDJGNIKN-MRXNPFEDSA-N 0 3 311.433 3.580 20 30 DHEDHN C=CCC[C@@H](CCC)[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823894807 609249709 /nfs/dbraw/zinc/24/97/09/609249709.db2.gz XKFDUYPDJGNIKN-MRXNPFEDSA-N 0 3 311.433 3.580 20 30 DHEDHN N#Cc1ccccc1CN1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000339907376 1013055537 /nfs/dbraw/zinc/05/55/37/1013055537.db2.gz BOCNNFAVBOWHBC-GOSISDBHSA-N 0 3 316.408 3.573 20 30 DHEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H](C)C(C)(C)C ZINC001573341944 947537257 /nfs/dbraw/zinc/53/72/57/947537257.db2.gz RQSIDZBPUGFPJX-AWEZNQCLSA-N 0 3 313.449 3.537 20 30 DHEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H](C)C(C)(C)C ZINC001573341944 947537268 /nfs/dbraw/zinc/53/72/68/947537268.db2.gz RQSIDZBPUGFPJX-AWEZNQCLSA-N 0 3 313.449 3.537 20 30 DHEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](C)C(C)(C)C ZINC001573341944 947537278 /nfs/dbraw/zinc/53/72/78/947537278.db2.gz RQSIDZBPUGFPJX-AWEZNQCLSA-N 0 3 313.449 3.537 20 30 DHEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](C)C(C)(C)C ZINC001573341944 947537290 /nfs/dbraw/zinc/53/72/90/947537290.db2.gz RQSIDZBPUGFPJX-AWEZNQCLSA-N 0 3 313.449 3.537 20 30 DHEDHN Oc1ccccc1/C=N\C[C@H](c1cccs1)N1CCCC1 ZINC000255047304 1013118355 /nfs/dbraw/zinc/11/83/55/1013118355.db2.gz PENYXQJXQRHDOT-PWDRBQJJSA-N 0 3 300.427 3.710 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CC1CCCC1 ZINC001167116896 1013190676 /nfs/dbraw/zinc/19/06/76/1013190676.db2.gz XWNHUMJEUIFOKG-SFHVURJKSA-N 0 3 303.446 3.624 20 30 DHEDHN C=CCCCCCCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC001209444718 1013292662 /nfs/dbraw/zinc/29/26/62/1013292662.db2.gz YJEOENSAXVKIOM-LJQANCHMSA-N 0 3 308.510 3.700 20 30 DHEDHN C=CCN1CCC(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000519274740 1013300184 /nfs/dbraw/zinc/30/01/84/1013300184.db2.gz NKHHPKJDGNQCOY-JKSUJKDBSA-N 0 3 306.494 3.606 20 30 DHEDHN N#Cc1cc(CN2CCC[C@H]2Cn2cnc3ccccc32)cs1 ZINC000894494941 1013395401 /nfs/dbraw/zinc/39/54/01/1013395401.db2.gz GZQHMPPTCQEQBJ-HNNXBMFYSA-N 0 3 322.437 3.634 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc2c1NCCC2 ZINC000894589227 1013428647 /nfs/dbraw/zinc/42/86/47/1013428647.db2.gz MAOGJCTYBQGWKM-IBGZPJMESA-N 0 3 303.409 3.693 20 30 DHEDHN OCCN(CC#Cc1ccc(F)cc1)[C@H]1CCCc2ccccc21 ZINC000440656715 1013603820 /nfs/dbraw/zinc/60/38/20/1013603820.db2.gz ZTFYIIDGNIQGQB-NRFANRHFSA-N 0 3 323.411 3.549 20 30 DHEDHN C=C[C@@H](C)NCc1cn(-c2cccc(Br)c2)nc1C ZINC000655749634 1013681586 /nfs/dbraw/zinc/68/15/86/1013681586.db2.gz VLABBOGYVBKXNR-LLVKDONJSA-N 0 3 320.234 3.607 20 30 DHEDHN CN(C)c1cc(CNCc2ccc(C#N)s2)c2ccccc2n1 ZINC000176979606 1013694249 /nfs/dbraw/zinc/69/42/49/1013694249.db2.gz VPFWRUUPLJUKTH-UHFFFAOYSA-N 0 3 322.437 3.524 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000579236560 1013710611 /nfs/dbraw/zinc/71/06/11/1013710611.db2.gz CDJLXTMIDCUXNI-UHFFFAOYSA-N 0 3 301.390 3.865 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1C[C@]1(C)Br ZINC000895018935 1013778276 /nfs/dbraw/zinc/77/82/76/1013778276.db2.gz VJZIAAKYJZTPSZ-UGFHNGPFSA-N 0 3 307.235 3.725 20 30 DHEDHN N#Cc1c(CN(C[C@H]2CCCO2)C2CCCC2)cn2ccccc12 ZINC000441458322 1013899982 /nfs/dbraw/zinc/89/99/82/1013899982.db2.gz NUGVNEPFXUHVAS-GOSISDBHSA-N 0 3 323.440 3.735 20 30 DHEDHN CCCN1CCc2c(N)sc(Nc3ccccc3C#N)c2C1 ZINC001210740135 1014011868 /nfs/dbraw/zinc/01/18/68/1014011868.db2.gz YCJCFLMTRYOXSH-UHFFFAOYSA-N 0 3 312.442 3.714 20 30 DHEDHN C[C@H](NCc1cc(C#N)cs1)c1cccc(-n2cccn2)c1 ZINC000177708289 1014022285 /nfs/dbraw/zinc/02/22/85/1014022285.db2.gz NOIFHYUJNYZPBG-ZDUSSCGKSA-N 0 3 308.410 3.656 20 30 DHEDHN C=CCN(CC1CCCCC1)[C@H]1CCN(C2CCCCC2)C1=O ZINC001167392533 1014113323 /nfs/dbraw/zinc/11/33/23/1014113323.db2.gz UMRUYRXZFHTHIY-IBGZPJMESA-N 0 3 318.505 3.988 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2cccc(F)c2)n1 ZINC000155762914 1014174327 /nfs/dbraw/zinc/17/43/27/1014174327.db2.gz MFNSUXBSVXSYBN-LBPRGKRZSA-N 0 3 303.362 3.651 20 30 DHEDHN C#CCCCCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167412526 1014176535 /nfs/dbraw/zinc/17/65/35/1014176535.db2.gz MLJCDKPECIEJDV-CALCHBBNSA-N 0 3 322.493 3.900 20 30 DHEDHN CC(C)C[C@@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441522983 1014309829 /nfs/dbraw/zinc/30/98/29/1014309829.db2.gz KYVHQGVHFXSPBF-INIZCTEOSA-N 0 3 310.401 3.619 20 30 DHEDHN C#CC1CCN(Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000895117016 1014450250 /nfs/dbraw/zinc/45/02/50/1014450250.db2.gz ZFAJSPMPCFSFGG-UHFFFAOYSA-N 0 3 320.458 3.940 20 30 DHEDHN C=CCN(CC=C)[C@H](C[NH2+][C@H](C)c1ccccc1[O-])C(C)C ZINC000783499141 1014540844 /nfs/dbraw/zinc/54/08/44/1014540844.db2.gz LTJHDCWNQLNECP-SJLPKXTDSA-N 0 3 302.462 3.741 20 30 DHEDHN C=CCN(CC=C)C(=O)CN(CCC)[C@@H]1CCc2ccccc21 ZINC000521192616 1014660362 /nfs/dbraw/zinc/66/03/62/1014660362.db2.gz GYXYEOCOJVFHFO-LJQANCHMSA-N 0 3 312.457 3.587 20 30 DHEDHN CCCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(OC(F)F)c1 ZINC000442799521 1014737395 /nfs/dbraw/zinc/73/73/95/1014737395.db2.gz YRXOUDRNRVQLEY-TZMCWYRMSA-N 0 3 324.371 3.859 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000521623295 1014745706 /nfs/dbraw/zinc/74/57/06/1014745706.db2.gz QJENJZLAMWPKSB-CYBMUJFWSA-N 0 3 312.394 3.655 20 30 DHEDHN COc1cc(CN(Cc2cccc(O)c2)CC2CC2)ccc1C#N ZINC000442883532 1014760057 /nfs/dbraw/zinc/76/00/57/1014760057.db2.gz HMILMOBYFZNHNE-UHFFFAOYSA-N 0 3 322.408 3.685 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CC)c1ccc(Cl)cc1 ZINC000341208957 1015006152 /nfs/dbraw/zinc/00/61/52/1015006152.db2.gz FYWASSYOIWOTIK-WMLDXEAASA-N 0 3 320.864 3.970 20 30 DHEDHN C=CCC[C@H](O)CN1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443643728 1015062297 /nfs/dbraw/zinc/06/22/97/1015062297.db2.gz WFYIQDVKOVYZCU-GJZGRUSLSA-N 0 3 309.837 3.510 20 30 DHEDHN N#Cc1ccc(CNC2([C@@H]3CCCCO3)CC2)c(C(F)(F)F)c1 ZINC000933371721 1015220728 /nfs/dbraw/zinc/22/07/28/1015220728.db2.gz HHBYRUGKZBUBLI-HNNXBMFYSA-N 0 3 324.346 3.768 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\C2C[C@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000255362926 1015226661 /nfs/dbraw/zinc/22/66/61/1015226661.db2.gz ZDAWFNNGGBTFLD-QRLNYVLISA-N 0 3 304.434 3.613 20 30 DHEDHN C=CCN(CC=C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000114723719 1015271264 /nfs/dbraw/zinc/27/12/64/1015271264.db2.gz KANKXLOPPPZSKL-UHFFFAOYSA-N 0 3 313.228 3.996 20 30 DHEDHN Cc1ccc(C(=O)C(C#N)c2nc(-c3ccccc3)cs2)n1C ZINC000041533372 1015611346 /nfs/dbraw/zinc/61/13/46/1015611346.db2.gz XTDHFRXDAAKZSB-CQSZACIVSA-N 0 3 321.405 3.947 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 ZINC000610613489 1015667220 /nfs/dbraw/zinc/66/72/20/1015667220.db2.gz FITCYFMWVQJONI-UHFFFAOYSA-N 0 3 324.371 3.551 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000610705494 1015725302 /nfs/dbraw/zinc/72/53/02/1015725302.db2.gz BKDOQPUJTBFADY-GOSISDBHSA-N 0 3 322.408 3.610 20 30 DHEDHN COc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000341760478 1015725377 /nfs/dbraw/zinc/72/53/77/1015725377.db2.gz ZHOBCXSEAYOKOR-SFHVURJKSA-N 0 3 310.372 3.873 20 30 DHEDHN CC[C@@H](NCCOc1ccccc1C#N)c1ccc(F)cc1F ZINC000341856287 1015772054 /nfs/dbraw/zinc/77/20/54/1015772054.db2.gz TTZIHAXAUQJBPV-QGZVFWFLSA-N 0 3 316.351 3.956 20 30 DHEDHN C=CCC[C@H](NCC(=O)N(CC)CC(=C)C)c1ccccc1 ZINC000341929964 1015852345 /nfs/dbraw/zinc/85/23/45/1015852345.db2.gz OFAOHIUVIAXRCG-SFHVURJKSA-N 0 3 300.446 3.708 20 30 DHEDHN CN(C)[C@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000121775866 1016424674 /nfs/dbraw/zinc/42/46/74/1016424674.db2.gz VGLKDRHXCNCRFH-DBRLUCFCSA-N 0 3 319.408 3.662 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCCCC1 ZINC000346556079 1016454995 /nfs/dbraw/zinc/45/49/95/1016454995.db2.gz XNOPUOBGKLTQFU-OAHLLOKOSA-N 0 3 306.475 3.527 20 30 DHEDHN COCc1ccc([C@H]2CCCN2Cc2ccc(CC#N)cc2)o1 ZINC000342474057 1016560005 /nfs/dbraw/zinc/56/00/05/1016560005.db2.gz ZXHUMVWYHSTQNY-GOSISDBHSA-N 0 3 310.397 3.829 20 30 DHEDHN Cc1ccc(C#N)c(NCC(C)(C)N2CCc3ccccc3C2)n1 ZINC000346818639 1016565366 /nfs/dbraw/zinc/56/53/66/1016565366.db2.gz CUVMYZLXMITKRH-UHFFFAOYSA-N 0 3 320.440 3.511 20 30 DHEDHN C=CCOc1ccc(C(=O)Nc2ccc(C)cc2CN(C)C)cc1 ZINC000072840743 1016928906 /nfs/dbraw/zinc/92/89/06/1016928906.db2.gz KUFJQUJSYYMSCL-UHFFFAOYSA-N 0 3 324.424 3.874 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(NC(C)=O)c1 ZINC000101544839 1016939606 /nfs/dbraw/zinc/93/96/06/1016939606.db2.gz YLLZGECNTLFDOW-UHFFFAOYSA-N 0 3 321.424 3.929 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000523009892 1017050170 /nfs/dbraw/zinc/05/01/70/1017050170.db2.gz NQPMHVSZIMOTEM-INIZCTEOSA-N 0 3 310.441 3.915 20 30 DHEDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618741495 1032183400 /nfs/dbraw/zinc/18/34/00/1032183400.db2.gz GRFGEQZLJOYNFN-SFHVURJKSA-N 0 3 307.353 3.552 20 30 DHEDHN N#CCOc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000847054369 1032196885 /nfs/dbraw/zinc/19/68/85/1032196885.db2.gz RAFNEQPENZPQQS-UHFFFAOYSA-N 0 3 317.392 3.630 20 30 DHEDHN Cc1ncc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000772960746 1032199585 /nfs/dbraw/zinc/19/95/85/1032199585.db2.gz VSFIMLKWBZURDX-RYUDHWBXSA-N 0 3 301.415 3.766 20 30 DHEDHN Cc1cccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000362131921 1032245351 /nfs/dbraw/zinc/24/53/51/1032245351.db2.gz YMZWSMFOURREST-CYBMUJFWSA-N 0 3 304.271 3.899 20 30 DHEDHN CCCCCCCCC/C=C\C(=O)N1CC[C@@H](N2CCC2)C1 ZINC001148308598 1032384451 /nfs/dbraw/zinc/38/44/51/1032384451.db2.gz XTAOIDOZFHRWNZ-SIKDUDHDSA-N 0 3 306.494 3.990 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCC(C)(C)C)c1 ZINC000103638446 1032410012 /nfs/dbraw/zinc/41/00/12/1032410012.db2.gz LPQYFUBIQJZJML-HNNXBMFYSA-N 0 3 300.402 3.859 20 30 DHEDHN N#Cc1ccc(CNC[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186434465 1017271593 /nfs/dbraw/zinc/27/15/93/1017271593.db2.gz ZBMVCNIEJBJECZ-MRXNPFEDSA-N 0 3 304.315 3.994 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC)cc2C)cc1 ZINC000773054703 1032541778 /nfs/dbraw/zinc/54/17/78/1032541778.db2.gz XAUCMDKBVRMAPZ-INIZCTEOSA-N 0 3 309.409 3.866 20 30 DHEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc2c(c1)CCO2 ZINC000773079246 1032550996 /nfs/dbraw/zinc/55/09/96/1032550996.db2.gz XTNYWJJLRFXANT-GOSISDBHSA-N 0 3 322.408 3.743 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1COC2(CCCCC2)O1 ZINC001171399275 1032583095 /nfs/dbraw/zinc/58/30/95/1032583095.db2.gz CQWVNTJFJHQVNU-QAPCUYQASA-N 0 3 314.429 3.627 20 30 DHEDHN CC(C)c1ccc([C@H](NC(=O)[C@@H](N)CCCC#N)C(C)C)cc1 ZINC000424061404 1011896979 /nfs/dbraw/zinc/89/69/79/1011896979.db2.gz FBRDSSGCCNOQQE-ZWKOTPCHSA-N 0 3 315.461 3.644 20 30 DHEDHN CC[C@H](C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424134697 1011913451 /nfs/dbraw/zinc/91/34/51/1011913451.db2.gz YROOCSKVYLVFQY-VBNZEHGJSA-N 0 3 321.852 3.565 20 30 DHEDHN C=CCn1cc(CN[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)nn1 ZINC000424295822 1011963566 /nfs/dbraw/zinc/96/35/66/1011963566.db2.gz NNVOFFJXZURVDA-GDBMZVCRSA-N 0 3 316.836 3.543 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2ccccc2F)C1 ZINC000339377508 1011987212 /nfs/dbraw/zinc/98/72/12/1011987212.db2.gz KEMSOLBWMRJMJG-HNNXBMFYSA-N 0 3 310.372 3.695 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000424607312 1012058332 /nfs/dbraw/zinc/05/83/32/1012058332.db2.gz KQMFNKBIHKSDHD-RDJZCZTQSA-N 0 3 300.446 3.540 20 30 DHEDHN N#Cc1ccc(S[C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000425274876 1012401886 /nfs/dbraw/zinc/40/18/86/1012401886.db2.gz BCSWJENXJRDOSW-QGZVFWFLSA-N 0 3 309.438 3.710 20 30 DHEDHN N#Cc1cccc(S[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000425282118 1012405503 /nfs/dbraw/zinc/40/55/03/1012405503.db2.gz NFNKOJREXSLUDW-KRWDZBQOSA-N 0 3 309.438 3.710 20 30 DHEDHN N#C[C@H]1CC[C@H](N2CCC(c3nc4c(s3)CCCC4)CC2)C1 ZINC000425508872 1012711915 /nfs/dbraw/zinc/71/19/15/1012711915.db2.gz NWIOOEZPAAHRJO-ZFWWWQNUSA-N 0 3 315.486 3.894 20 30 DHEDHN Cc1ccc(N2CCN(CCc3ccc(C#N)cc3)CC2)c(C)c1 ZINC001208927468 1012828462 /nfs/dbraw/zinc/82/84/62/1012828462.db2.gz JXDYZKUGTXJHNY-UHFFFAOYSA-N 0 3 319.452 3.540 20 30 DHEDHN N#CCCCN(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000154769993 1012989534 /nfs/dbraw/zinc/98/95/34/1012989534.db2.gz PKAKGGNSQUIFKE-KRWDZBQOSA-N 0 3 300.427 3.587 20 30 DHEDHN CC[C@H]1CN(Cc2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 ZINC000517478594 1012993383 /nfs/dbraw/zinc/99/33/83/1012993383.db2.gz NHEHHJAAZXYDLE-PXNSSMCTSA-N 0 3 305.425 3.969 20 30 DHEDHN COc1ccc(C2(N[C@@H](C)c3ccc(OCC#N)cc3)CC2)cc1 ZINC000776960156 1032675847 /nfs/dbraw/zinc/67/58/47/1032675847.db2.gz JXVIYTXWKPQCAC-HNNXBMFYSA-N 0 3 322.408 3.937 20 30 DHEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000342732913 1017122888 /nfs/dbraw/zinc/12/28/88/1017122888.db2.gz FGTJJWVVXCYMKS-ZIAGYGMSSA-N 0 3 300.402 3.506 20 30 DHEDHN Cc1ccc(N(CCC#N)C(=O)c2cccc(CN(C)C)c2)cc1 ZINC000073108115 1017187628 /nfs/dbraw/zinc/18/76/28/1017187628.db2.gz HLQIKTLOBXMFQH-UHFFFAOYSA-N 0 3 321.424 3.617 20 30 DHEDHN C[C@@H](Cc1cccs1)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001167608798 1017463768 /nfs/dbraw/zinc/46/37/68/1017463768.db2.gz PLWVZODRFQXCFE-LBPRGKRZSA-N 0 3 315.398 3.591 20 30 DHEDHN N#CC(C(=O)C=Cc1nc2ccccc2s1)c1ccccn1 ZINC000255542302 1017517056 /nfs/dbraw/zinc/51/70/56/1017517056.db2.gz BJHYRAGMFJEXPP-JLVNDZCYSA-N 0 3 305.362 3.581 20 30 DHEDHN Cc1cccc(CN2CCN(CCCCC(C)(C)C#N)CC2)c1 ZINC000444591517 1017581366 /nfs/dbraw/zinc/58/13/66/1017581366.db2.gz GWFZBBLYDSNJSM-UHFFFAOYSA-N 0 3 313.489 3.833 20 30 DHEDHN COc1ccc(CN2CC[C@@H]2C(C)C)cc1OCCCC#N ZINC000342864082 1017618911 /nfs/dbraw/zinc/61/89/11/1017618911.db2.gz ZWZCTCRQNIUSSK-MRXNPFEDSA-N 0 3 302.418 3.608 20 30 DHEDHN Fc1ccc(C#CCN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181194334 1017730764 /nfs/dbraw/zinc/73/07/64/1017730764.db2.gz UHHONSVODIIFKW-RXVVDRJESA-N 0 3 323.411 3.935 20 30 DHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1ccc(OC)c(OC)c1 ZINC000268780501 1017733674 /nfs/dbraw/zinc/73/36/74/1017733674.db2.gz TWYSDGHZCKTUSJ-QGZVFWFLSA-N 0 3 310.397 3.816 20 30 DHEDHN N#Cc1ccccc1CN(Cc1ccccc1)CC1CCOCC1 ZINC000523607574 1017742818 /nfs/dbraw/zinc/74/28/18/1017742818.db2.gz KCKCXYVLKIANDA-UHFFFAOYSA-N 0 3 320.436 3.987 20 30 DHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(C(C)(C)O)cc1 ZINC000925367916 1017755193 /nfs/dbraw/zinc/75/51/93/1017755193.db2.gz OEUGIFXTEYUHPA-OAHLLOKOSA-N 0 3 324.424 3.667 20 30 DHEDHN COc1cc(CN[C@H](C)c2ccc(C(C)(C)O)cc2)ccc1C#N ZINC000926449154 1018009139 /nfs/dbraw/zinc/00/91/39/1018009139.db2.gz KCDKPRJADXFVIW-CQSZACIVSA-N 0 3 324.424 3.645 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@H](CC2CCCCC2)C(C)C)CC1 ZINC000172217649 1018023606 /nfs/dbraw/zinc/02/36/06/1018023606.db2.gz QLXLBRVZVLHGEG-LJQANCHMSA-N 0 3 320.521 3.996 20 30 DHEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C12CCCC2 ZINC000178792369 1018081716 /nfs/dbraw/zinc/08/17/16/1018081716.db2.gz HFOTZLZYNDRUBJ-IRXDYDNUSA-N 0 3 302.393 3.525 20 30 DHEDHN C=C(Cl)COc1ccc([C@H](C)NCc2cc(C)[nH]n2)cc1 ZINC000766086469 1018217328 /nfs/dbraw/zinc/21/73/28/1018217328.db2.gz LJUWODJLNNSRIL-ZDUSSCGKSA-N 0 3 305.809 3.700 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CCc3ccsc3C2)cc1 ZINC000127073571 1032757450 /nfs/dbraw/zinc/75/74/50/1032757450.db2.gz INWQUDRUNGXFIZ-UHFFFAOYSA-N 0 3 311.454 3.656 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2cccc(NC(C)=O)c2)cc1 ZINC000155447685 1018289806 /nfs/dbraw/zinc/28/98/06/1018289806.db2.gz NKFUNCQHUWIDCT-HNNXBMFYSA-N 0 3 322.408 3.508 20 30 DHEDHN C=CC(C)(C)CC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001127776852 1018314140 /nfs/dbraw/zinc/31/41/40/1018314140.db2.gz VZNJJPYCWUZFEG-SFHVURJKSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000150893729 1018328521 /nfs/dbraw/zinc/32/85/21/1018328521.db2.gz XBXYEDBOABRJGR-HNNXBMFYSA-N 0 3 320.502 3.700 20 30 DHEDHN COC(=O)c1cc(Nc2ccnc(C(C)(C)C)c2)ccc1C#N ZINC001213168716 1018403384 /nfs/dbraw/zinc/40/33/84/1018403384.db2.gz QHCDOAFTZANOPV-UHFFFAOYSA-N 0 3 309.369 3.781 20 30 DHEDHN CC[C@@H](NCc1cccc(NC(C)=O)c1)c1ccc(C#N)cc1 ZINC000447529092 1018408103 /nfs/dbraw/zinc/40/81/03/1018408103.db2.gz LCPAJOBDRUNESM-LJQANCHMSA-N 0 3 307.397 3.758 20 30 DHEDHN CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000174430003 1018427900 /nfs/dbraw/zinc/42/79/00/1018427900.db2.gz XWDGYTUGGBAGEP-AWEZNQCLSA-N 0 3 310.397 3.816 20 30 DHEDHN COc1ccc(CN(Cc2ccc(C#N)cn2)[C@H](C)C2CC2)cc1 ZINC000583508024 1018518461 /nfs/dbraw/zinc/51/84/61/1018518461.db2.gz XNYBLOCQFPNUSB-OAHLLOKOSA-N 0 3 321.424 3.763 20 30 DHEDHN COC(=O)c1ccc(Nc2ccnc(C(C)(C)C)c2)c(C#N)c1 ZINC001213170380 1018540839 /nfs/dbraw/zinc/54/08/39/1018540839.db2.gz BKHYGWGMSAINNO-UHFFFAOYSA-N 0 3 309.369 3.781 20 30 DHEDHN CN(C)[C@H](CNc1cccc(F)c1C#N)c1ccc(F)cc1 ZINC000052486057 1018605989 /nfs/dbraw/zinc/60/59/89/1018605989.db2.gz PUVPSSGBFQBWSZ-QGZVFWFLSA-N 0 3 301.340 3.551 20 30 DHEDHN C=CC(C)(C)CN[C@@H](C)c1nc(Br)ccc1F ZINC000926523216 1018642295 /nfs/dbraw/zinc/64/22/95/1018642295.db2.gz VPMKBKNRFJJMRK-VIFPVBQESA-N 0 3 301.203 3.846 20 30 DHEDHN CCOc1ccc(CNCc2c(C)cc(C#N)cc2C)cc1OC ZINC000921523710 1018820740 /nfs/dbraw/zinc/82/07/40/1018820740.db2.gz HTGBVYGZLFCNRK-UHFFFAOYSA-N 0 3 324.424 3.872 20 30 DHEDHN CCS[C@H](C(=O)C(C#N)c1nc(C2CC2)cs1)C(C)C ZINC000842943522 1018961118 /nfs/dbraw/zinc/96/11/18/1018961118.db2.gz XHNMTYLXJGJXEZ-FZMZJTMJSA-N 0 3 308.472 3.974 20 30 DHEDHN C#CCOc1ccccc1CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000278710390 1019073936 /nfs/dbraw/zinc/07/39/36/1019073936.db2.gz LOYZUAKIULQJHO-IBGZPJMESA-N 0 3 304.393 3.811 20 30 DHEDHN CCN(Cc1ccc2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000063994630 1019097162 /nfs/dbraw/zinc/09/71/62/1019097162.db2.gz CBGGZJGXBLCQTQ-HNNXBMFYSA-N 0 3 322.408 3.913 20 30 DHEDHN C=CCN1CC[C@H](N(Cc2cccs2)C(C)(C)CCC)C1=O ZINC000565129870 1019118153 /nfs/dbraw/zinc/11/81/53/1019118153.db2.gz PATPVPNVVAVAKA-INIZCTEOSA-N 0 3 320.502 3.916 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000248688086 1019201865 /nfs/dbraw/zinc/20/18/65/1019201865.db2.gz HXMAGGVZAKCJTF-XLIONFOSSA-N 0 3 314.473 3.712 20 30 DHEDHN CCN(CCOc1ccc(C#N)cc1OC)Cc1cccs1 ZINC000077247468 1019266937 /nfs/dbraw/zinc/26/69/37/1019266937.db2.gz MUVABEDYWMXXSZ-UHFFFAOYSA-N 0 3 316.426 3.529 20 30 DHEDHN N#CC(C(=O)Nc1ccccc1F)c1nc2ccccc2s1 ZINC000338627726 1019366072 /nfs/dbraw/zinc/36/60/72/1019366072.db2.gz RNXXDFDRCNEHDH-JTQLQIEISA-N 0 3 311.341 3.681 20 30 DHEDHN N#Cc1ccc(CNCC2(c3ccc(F)cc3F)CC2)c(F)c1 ZINC000090227084 1019386432 /nfs/dbraw/zinc/38/64/32/1019386432.db2.gz DIVKGLIZKCFMPT-UHFFFAOYSA-N 0 3 316.326 3.797 20 30 DHEDHN N#CCC[C@H](N[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000611337067 1019448978 /nfs/dbraw/zinc/44/89/78/1019448978.db2.gz OCINGTVIFMFBQD-QUCCMNQESA-N 0 3 305.425 3.900 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2c1cccc2O ZINC000611392021 1019465494 /nfs/dbraw/zinc/46/54/94/1019465494.db2.gz IQBSXIIGYFFSJN-OALUTQOASA-N 0 3 304.393 3.918 20 30 DHEDHN CN1Cc2ccccc2[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611394691 1019470503 /nfs/dbraw/zinc/47/05/03/1019470503.db2.gz WPZQDBQGRBBCAV-LEWJYISDSA-N 0 3 317.436 3.712 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1Br)CC1CC1 ZINC000611500633 1019505468 /nfs/dbraw/zinc/50/54/68/1019505468.db2.gz FPYYORRHQIFIDS-UHFFFAOYSA-N 0 3 307.235 3.941 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H]2C2CC2)c(Br)c1 ZINC000611500860 1019505733 /nfs/dbraw/zinc/50/57/33/1019505733.db2.gz WJUASKDWDGSIIA-HNNXBMFYSA-N 0 3 305.219 3.695 20 30 DHEDHN N#CCOc1ccc(CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000264116534 1032856325 /nfs/dbraw/zinc/85/63/25/1032856325.db2.gz KAGYJXXWPAAANL-UHFFFAOYSA-N 0 3 310.372 3.893 20 30 DHEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(Cl)cc2)CC1 ZINC000729941731 1019927288 /nfs/dbraw/zinc/92/72/88/1019927288.db2.gz AZZHJBAQYDYELK-UHFFFAOYSA-N 0 3 323.893 3.667 20 30 DHEDHN C=CCSc1nc2ccccc2n1CN(CC)CCOCC ZINC000730801669 1020026798 /nfs/dbraw/zinc/02/67/98/1020026798.db2.gz FZWBLGZSACEKDG-UHFFFAOYSA-N 0 3 319.474 3.630 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C)(C)CC(F)F ZINC000892420489 1020068743 /nfs/dbraw/zinc/06/87/43/1020068743.db2.gz STPNQJWZGDUBJA-NSHDSACASA-N 0 3 319.355 3.821 20 30 DHEDHN COc1ccc(C2(NCc3ccc(O[C@@H](C)C#N)cc3)CC2)cc1 ZINC000731678568 1020138019 /nfs/dbraw/zinc/13/80/19/1020138019.db2.gz QILFBVXAXLFPBL-HNNXBMFYSA-N 0 3 322.408 3.765 20 30 DHEDHN Cc1nsc(N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1C#N ZINC000329358587 1020173023 /nfs/dbraw/zinc/17/30/23/1020173023.db2.gz GFCMHYFOUPHZDU-HIFRSBDPSA-N 0 3 312.442 3.571 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccoc2)cc1 ZINC000131525949 1020180833 /nfs/dbraw/zinc/18/08/33/1020180833.db2.gz JBXQMHILDJSGHF-BLLLJJGKSA-N 0 3 310.353 3.754 20 30 DHEDHN CC[C@@H](C)CN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000732206167 1020209799 /nfs/dbraw/zinc/20/97/99/1020209799.db2.gz RMSXKMWMZORPQT-NVXWUHKLSA-N 0 3 315.461 3.608 20 30 DHEDHN Cc1ccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)cc1C#N ZINC000922762197 1020254341 /nfs/dbraw/zinc/25/43/41/1020254341.db2.gz VTJCPCZEESSIOZ-UHFFFAOYSA-N 0 3 309.369 3.682 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000331291707 1020261267 /nfs/dbraw/zinc/26/12/67/1020261267.db2.gz WOSCRJUPANCFIL-WMLDXEAASA-N 0 3 314.429 3.673 20 30 DHEDHN CCN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000075636798 1020317258 /nfs/dbraw/zinc/31/72/58/1020317258.db2.gz CLJUIBJCPPYRMM-UHFFFAOYSA-N 0 3 310.401 3.763 20 30 DHEDHN C=CCCCCCCCC(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001273089315 1020415960 /nfs/dbraw/zinc/41/59/60/1020415960.db2.gz KUNVZCUXQSHDMI-UHFFFAOYSA-N 0 3 318.505 3.990 20 30 DHEDHN CN(CCc1ccc(Cl)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000179726317 1020438995 /nfs/dbraw/zinc/43/89/95/1020438995.db2.gz XUEZREIFNPJIBS-UHFFFAOYSA-N 0 3 324.815 3.534 20 30 DHEDHN N#CCCC1CCN(Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000569811504 1020489928 /nfs/dbraw/zinc/48/99/28/1020489928.db2.gz BLVBIGHBNBORGO-UHFFFAOYSA-N 0 3 314.429 3.754 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H](CC=C)c2ccncc2)cc1 ZINC000734508952 1020617162 /nfs/dbraw/zinc/61/71/62/1020617162.db2.gz FCMRTTFCKCCSRT-FQEVSTJZSA-N 0 3 306.409 3.891 20 30 DHEDHN C=CC[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccncc1 ZINC000734510199 1020618149 /nfs/dbraw/zinc/61/81/49/1020618149.db2.gz UISLVKDIKBBRJC-FQEVSTJZSA-N 0 3 320.440 3.838 20 30 DHEDHN N#Cc1ccc(CCN[C@@H]2COCc3cccc(Cl)c32)cc1 ZINC000926680422 1020619752 /nfs/dbraw/zinc/61/97/52/1020619752.db2.gz NNZGZUUYFHFEIR-QGZVFWFLSA-N 0 3 312.800 3.615 20 30 DHEDHN CCOc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000264382600 1032919583 /nfs/dbraw/zinc/91/95/83/1032919583.db2.gz OZOFDYUXHKHHEL-HNNXBMFYSA-N 0 3 310.397 3.838 20 30 DHEDHN CN(CCSc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000612998766 1020770576 /nfs/dbraw/zinc/77/05/76/1020770576.db2.gz IFXASVBKPBRLFW-UHFFFAOYSA-N 0 3 300.402 3.921 20 30 DHEDHN COC(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1C ZINC000892521197 1020800991 /nfs/dbraw/zinc/80/09/91/1020800991.db2.gz MIKHEJSBZPWUPI-CQSZACIVSA-N 0 3 308.381 3.504 20 30 DHEDHN CCCCCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001267544391 1020834885 /nfs/dbraw/zinc/83/48/85/1020834885.db2.gz XRQIFDHYDHNNBL-PKOBYXMFSA-N 0 3 316.489 3.984 20 30 DHEDHN N#CC(C(=O)c1cnccc1Oc1ccccc1)c1ccccn1 ZINC000337325909 1032941876 /nfs/dbraw/zinc/94/18/76/1032941876.db2.gz AZBSBQRBCCOPLE-HNNXBMFYSA-N 0 3 315.332 3.759 20 30 DHEDHN C[C@H]1Cc2ccccc2CN1CCCOc1ccc(C#N)cc1 ZINC000741797422 1021054982 /nfs/dbraw/zinc/05/49/82/1021054982.db2.gz MTSQPPGRMUGAOV-INIZCTEOSA-N 0 3 306.409 3.774 20 30 DHEDHN C#CCOc1ccccc1CNCc1cc2c(s1)CCCC2 ZINC000742717787 1021158211 /nfs/dbraw/zinc/15/82/11/1021158211.db2.gz HWMWINXBXZUMQM-UHFFFAOYSA-N 0 3 311.450 3.929 20 30 DHEDHN C[C@H](NCc1ccc(Cn2ccnc2)cc1)c1cccc(C#N)c1 ZINC000181479835 1021200295 /nfs/dbraw/zinc/20/02/95/1021200295.db2.gz JEOZPIWBMQSRFR-INIZCTEOSA-N 0 3 316.408 3.654 20 30 DHEDHN C[C@@H](Cc1ccc(Br)c(F)c1)NCC(C)(C)C#N ZINC000613540214 1021202681 /nfs/dbraw/zinc/20/26/81/1021202681.db2.gz FUFFDFHVYBFZTF-JTQLQIEISA-N 0 3 313.214 3.659 20 30 DHEDHN C=C(C)COCCN[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000090450858 1021224678 /nfs/dbraw/zinc/22/46/78/1021224678.db2.gz ZPAHLQCUEBTWGD-GFCCVEGCSA-N 0 3 313.825 3.601 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc3cnccc3c2)cc1 ZINC001202466441 1021263731 /nfs/dbraw/zinc/26/37/31/1021263731.db2.gz MXMOOVWOJVKIBO-UHFFFAOYSA-N 0 3 302.377 3.537 20 30 DHEDHN CCN(CC)c1ccc(CN(CCC#N)C2CCCC2)c(O)c1 ZINC001140855371 1021264591 /nfs/dbraw/zinc/26/45/91/1021264591.db2.gz WOVIJMDEPRGIKT-UHFFFAOYSA-N 0 3 315.461 3.897 20 30 DHEDHN N#Cc1ccccc1O[C@H]1CCCN(CCCC(F)(F)F)C1 ZINC001202434089 1021270036 /nfs/dbraw/zinc/27/00/36/1021270036.db2.gz YLPKGXLXXNZWBU-AWEZNQCLSA-N 0 3 312.335 3.744 20 30 DHEDHN CCCCCC[C@H](C)NN=Cc1ccc(N2CCOCC2)cc1 ZINC000743450866 1021293915 /nfs/dbraw/zinc/29/39/15/1021293915.db2.gz SDWQOUZKLDWCJS-KRWDZBQOSA-N 0 3 317.477 3.806 20 30 DHEDHN CCN(CCc1ccc(OC)cc1)Cc1ccc(OC)cc1C#N ZINC001137706387 1021414781 /nfs/dbraw/zinc/41/47/81/1021414781.db2.gz ZYVBOSKXRSPFQJ-UHFFFAOYSA-N 0 3 324.424 3.640 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3cccc(F)c3)nc21 ZINC000744161375 1021454374 /nfs/dbraw/zinc/45/43/74/1021454374.db2.gz TUKYODIXGQCBTG-IUODEOHRSA-N 0 3 321.355 3.990 20 30 DHEDHN C=CC[C@H](NCc1ccc(OCOCC)cc1)c1ccncc1 ZINC000782959724 1021489790 /nfs/dbraw/zinc/48/97/90/1021489790.db2.gz LUHPJCKCDCCWBD-IBGZPJMESA-N 0 3 312.413 3.861 20 30 DHEDHN CCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618742301 1021501785 /nfs/dbraw/zinc/50/17/85/1021501785.db2.gz MBQACLROZPPJLY-GOSISDBHSA-N 0 3 322.408 3.743 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(-c2ccccc2)n[nH]1 ZINC000618741378 1021502294 /nfs/dbraw/zinc/50/22/94/1021502294.db2.gz FFLMMOAMHAUAOM-IBGZPJMESA-N 0 3 314.392 3.725 20 30 DHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc([S@@](C)=O)cc1 ZINC000618804484 1021530599 /nfs/dbraw/zinc/53/05/99/1021530599.db2.gz ASSSBAFFHUZCOZ-CUKRAGERSA-N 0 3 324.449 3.634 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCO2 ZINC000618803879 1021532227 /nfs/dbraw/zinc/53/22/27/1021532227.db2.gz JADOSMFBVFUQPC-SJKOYZFVSA-N 0 3 306.365 3.625 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2cc(COC)cs2)cc1 ZINC000850533154 1021588495 /nfs/dbraw/zinc/58/84/95/1021588495.db2.gz RIFNUJKBFOTTAL-CQSZACIVSA-N 0 3 315.438 3.757 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000850738351 1021631713 /nfs/dbraw/zinc/63/17/13/1021631713.db2.gz KCNHFUAYDAXWQH-FSZRXZPDSA-N 0 3 321.424 3.966 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)cc1 ZINC000850760466 1021641110 /nfs/dbraw/zinc/64/11/10/1021641110.db2.gz SMJYXDNBFDMPNT-KRWDZBQOSA-N 0 3 324.424 3.867 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@H](COCC)C2)cc1Cl ZINC000093838649 1021685001 /nfs/dbraw/zinc/68/50/01/1021685001.db2.gz QWIWDQKEBVXNGC-HNNXBMFYSA-N 0 3 309.837 3.763 20 30 DHEDHN CC1(C)CN(C[C@H](O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000763568380 1021742746 /nfs/dbraw/zinc/74/27/46/1021742746.db2.gz XNDMZGQKHNROOO-OALUTQOASA-N 0 3 306.409 3.675 20 30 DHEDHN CCn1nc(C)c(CN[C@H]2CCCCc3cc(C#N)ccc32)c1C ZINC000619508291 1021772037 /nfs/dbraw/zinc/77/20/37/1021772037.db2.gz RCAZQGCSWDXLLG-FQEVSTJZSA-N 0 3 322.456 3.949 20 30 DHEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(Cl)c1)CC2 ZINC000619754543 1021861952 /nfs/dbraw/zinc/86/19/52/1021861952.db2.gz CRYGLFGBWGZPFO-SFHVURJKSA-N 0 3 312.800 3.997 20 30 DHEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000619755224 1021866230 /nfs/dbraw/zinc/86/62/30/1021866230.db2.gz CWUHFMFYZSMZAK-NSHDSACASA-N 0 3 314.772 3.791 20 30 DHEDHN Cc1cc(CN[C@H](C)c2cccc(C#N)c2)c2c(n1)CCCC2 ZINC000893076307 1021875595 /nfs/dbraw/zinc/87/55/95/1021875595.db2.gz AQJLNQNYRLMDHF-OAHLLOKOSA-N 0 3 305.425 3.991 20 30 DHEDHN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)c2c(n1)CCCC2 ZINC000893076299 1021875669 /nfs/dbraw/zinc/87/56/69/1021875669.db2.gz AQJLNQNYRLMDHF-HNNXBMFYSA-N 0 3 305.425 3.991 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000728711857 1021879741 /nfs/dbraw/zinc/87/97/41/1021879741.db2.gz NKGRGTRATLVAQY-YJYMSZOUSA-N 0 3 310.372 3.894 20 30 DHEDHN N#Cc1ccc(CNCc2cccc(-n3cccn3)c2)cc1Cl ZINC000619748373 1021886856 /nfs/dbraw/zinc/88/68/56/1021886856.db2.gz CAKAZAVSCCJVRS-UHFFFAOYSA-N 0 3 322.799 3.687 20 30 DHEDHN C[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccc(C#N)cc1F ZINC000619781271 1021896731 /nfs/dbraw/zinc/89/67/31/1021896731.db2.gz HTFPNGQMAQIPBA-ZFWWWQNUSA-N 0 3 302.393 3.840 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2n[nH]cc2c1 ZINC000556919245 1021947347 /nfs/dbraw/zinc/94/73/47/1021947347.db2.gz DPLXOLMARQACPV-RYUDHWBXSA-N 0 3 308.360 3.985 20 30 DHEDHN C#C[C@](C)(CC)NCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000852098905 1022072634 /nfs/dbraw/zinc/07/26/34/1022072634.db2.gz ZBEGDUDYYUNYFG-HXUWFJFHSA-N 0 3 306.409 3.830 20 30 DHEDHN CC[C@@H](C)N(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000852291226 1022099776 /nfs/dbraw/zinc/09/97/76/1022099776.db2.gz RUELMCACWWPIGK-CHWSQXEVSA-N 0 3 315.442 3.593 20 30 DHEDHN CC[C@@H]1Cc2ccccc2CN1CCOc1ccccc1C#N ZINC001169015327 1022217223 /nfs/dbraw/zinc/21/72/23/1022217223.db2.gz WIVICAXCMOHZPM-LJQANCHMSA-N 0 3 306.409 3.774 20 30 DHEDHN Cc1nc(C)c(CN[C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000265527670 1022273859 /nfs/dbraw/zinc/27/38/59/1022273859.db2.gz ISWNDYPLYZKGRC-NSHDSACASA-N 0 3 301.415 3.513 20 30 DHEDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H](CC#N)C2)c1 ZINC000853526532 1022286880 /nfs/dbraw/zinc/28/68/80/1022286880.db2.gz SMOXBBNPIIRJIN-CYBMUJFWSA-N 0 3 302.418 3.521 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000853598195 1022295654 /nfs/dbraw/zinc/29/56/54/1022295654.db2.gz NZGBXUCZRKKORH-IYBDPMFKSA-N 0 3 324.384 3.599 20 30 DHEDHN C#CC[C@@H](NCc1ccc(C(=O)OC)c(C)c1)c1ccccc1 ZINC000893237319 1022295983 /nfs/dbraw/zinc/29/59/83/1022295983.db2.gz JJQRVKMDEXQRGH-LJQANCHMSA-N 0 3 307.393 3.636 20 30 DHEDHN N#Cc1cccc(OCCN2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800996 1022353710 /nfs/dbraw/zinc/35/37/10/1022353710.db2.gz ZZCBXLYEZHLTAZ-LJQANCHMSA-N 0 3 324.449 3.727 20 30 DHEDHN N#Cc1ccc(F)c(CN2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000609916555 1022383188 /nfs/dbraw/zinc/38/31/88/1022383188.db2.gz XPDFYGRKSKBWSA-MRXNPFEDSA-N 0 3 312.363 3.901 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC000538393385 1033050790 /nfs/dbraw/zinc/05/07/90/1033050790.db2.gz WXDKVYVNMXJLDG-QFBILLFUSA-N 0 3 314.473 3.849 20 30 DHEDHN CCCC[N@H+](CCOc1ccccc1C#N)Cc1ccccc1[O-] ZINC001169753640 1022523586 /nfs/dbraw/zinc/52/35/86/1022523586.db2.gz AEQXFJAVSQOQDD-UHFFFAOYSA-N 0 3 324.424 3.945 20 30 DHEDHN CCCC[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1[O-] ZINC001169753640 1022523600 /nfs/dbraw/zinc/52/36/00/1022523600.db2.gz AEQXFJAVSQOQDD-UHFFFAOYSA-N 0 3 324.424 3.945 20 30 DHEDHN C=CC[C@@H]1N(Cc2cnnn2-c2ccccc2)CCCC1(C)C ZINC001169844218 1022562932 /nfs/dbraw/zinc/56/29/32/1022562932.db2.gz MFSZLHFKCHORGG-SFHVURJKSA-N 0 3 310.445 3.834 20 30 DHEDHN COc1ccc2ccc(O)c(CN(CCC#N)CC3CC3)c2c1 ZINC000103459705 1022579263 /nfs/dbraw/zinc/57/92/63/1022579263.db2.gz AAASRLQYSUQRPJ-UHFFFAOYSA-N 0 3 310.397 3.680 20 30 DHEDHN C=CCN(CCOC)CCOc1cc(Cl)cc(Cl)c1 ZINC001169898360 1022583135 /nfs/dbraw/zinc/58/31/35/1022583135.db2.gz BIRUJLNUAAFKRU-UHFFFAOYSA-N 0 3 304.217 3.507 20 30 DHEDHN C[C@@H](N[C@@H](CO)CC1CCCCC1)c1ccc(C#N)cc1F ZINC000417367758 1022710394 /nfs/dbraw/zinc/71/03/94/1022710394.db2.gz PHCKTGUBOOBLIP-CZUORRHYSA-N 0 3 304.409 3.679 20 30 DHEDHN C=CCC[C@H](C(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617008763 1022827295 /nfs/dbraw/zinc/82/72/95/1022827295.db2.gz LOCKHAZSKACMGW-ROUUACIJSA-N 0 3 314.473 3.725 20 30 DHEDHN C=CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000768547817 1022995087 /nfs/dbraw/zinc/99/50/87/1022995087.db2.gz QKIZMJLWZXEXCI-UHFFFAOYSA-N 0 3 313.195 3.754 20 30 DHEDHN C=C1CCC(CNCc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC001207493582 1023014212 /nfs/dbraw/zinc/01/42/12/1023014212.db2.gz QDVFKOJMKSWCIP-UHFFFAOYSA-N 0 3 321.774 3.928 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000876606551 1033103979 /nfs/dbraw/zinc/10/39/79/1033103979.db2.gz BUVNZAGGRKVLDW-HZPDHXFCSA-N 0 3 306.837 3.600 20 30 DHEDHN C=CC1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000769401311 1023140909 /nfs/dbraw/zinc/14/09/09/1023140909.db2.gz GVAHUVLYQKUYPO-UHFFFAOYSA-N 0 3 317.433 3.827 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(Cl)c1OC(C)C ZINC000876669803 1033118082 /nfs/dbraw/zinc/11/80/82/1033118082.db2.gz YPOMGVZZVYGVPN-NSHDSACASA-N 0 3 317.216 3.536 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000876670881 1033118668 /nfs/dbraw/zinc/11/86/68/1033118668.db2.gz HCYZRYZBWYOSSW-KCJUWKMLSA-N 0 3 321.635 3.641 20 30 DHEDHN CCOCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000785613333 1023597919 /nfs/dbraw/zinc/59/79/19/1023597919.db2.gz FDYIOYNYOHUVRZ-HXUWFJFHSA-N 0 3 322.408 3.708 20 30 DHEDHN CCCC(C)(C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000786511346 1023705936 /nfs/dbraw/zinc/70/59/36/1023705936.db2.gz BXXCTWDIZFMVLI-MRXNPFEDSA-N 0 3 314.429 3.570 20 30 DHEDHN C#CCOc1ccccc1CN[C@@H](C)[C@H](OC)c1ccccc1 ZINC000786863268 1023731900 /nfs/dbraw/zinc/73/19/00/1023731900.db2.gz ZXWYFAPGYYSLJO-JXFKEZNVSA-N 0 3 309.409 3.564 20 30 DHEDHN CC(C)(C#N)CCCCOC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000786877076 1023733502 /nfs/dbraw/zinc/73/35/02/1023733502.db2.gz COQUQAANOLAKJF-INIZCTEOSA-N 0 3 306.450 3.657 20 30 DHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(OCC#N)cc1 ZINC000787026682 1023750525 /nfs/dbraw/zinc/75/05/25/1023750525.db2.gz NTDLBVCIWCTOBP-VBKZILBWSA-N 0 3 317.392 3.799 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(OCC#N)cc1 ZINC000787026681 1023750691 /nfs/dbraw/zinc/75/06/91/1023750691.db2.gz NTDLBVCIWCTOBP-JLTOFOAXSA-N 0 3 317.392 3.799 20 30 DHEDHN N#CCOc1ccc(Cl)cc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000859542537 1033163925 /nfs/dbraw/zinc/16/39/25/1033163925.db2.gz LLQKGCRVEGADCB-CABCVRRESA-N 0 3 322.861 3.712 20 30 DHEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CCCCC1 ZINC000452119854 1023972722 /nfs/dbraw/zinc/97/27/22/1023972722.db2.gz HTEIFLCDNFBNPB-OKZBNKHCSA-N 0 3 318.505 3.702 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000876941115 1033185867 /nfs/dbraw/zinc/18/58/67/1033185867.db2.gz IBMDNTGYEBTGMV-IAGOWNOFSA-N 0 3 320.864 3.943 20 30 DHEDHN CN(CC(=O)Nc1sccc1C#N)C1CCCCCCC1 ZINC000130192965 1024139277 /nfs/dbraw/zinc/13/92/77/1024139277.db2.gz IFOWWITUEIAPEP-UHFFFAOYSA-N 0 3 305.447 3.603 20 30 DHEDHN N#CCC1(CN(CCc2ccccc2)Cc2cccnc2)CC1 ZINC000602824174 1024188688 /nfs/dbraw/zinc/18/86/88/1024188688.db2.gz XQBFWQIDRBXEEF-UHFFFAOYSA-N 0 3 305.425 3.820 20 30 DHEDHN C[C@@H](CCCC#N)NCc1ncc(C(F)(F)F)cc1Cl ZINC001172480357 1033193573 /nfs/dbraw/zinc/19/35/73/1033193573.db2.gz SGBLDMMNOBKUSO-VIFPVBQESA-N 0 3 305.731 3.926 20 30 DHEDHN CN(Cc1ccc(N(C)CCC#N)cc1)Cc1cccc(C#N)c1 ZINC000130774438 1024215335 /nfs/dbraw/zinc/21/53/35/1024215335.db2.gz VTQHRMJZKHBFGI-UHFFFAOYSA-N 0 3 318.424 3.540 20 30 DHEDHN COc1cccc(C[C@H]2CCCN2Cc2ccc(F)c(C#N)c2)c1 ZINC000531580120 1024230921 /nfs/dbraw/zinc/23/09/21/1024230921.db2.gz BTOSQDMCHOZWNP-GOSISDBHSA-N 0 3 324.399 3.913 20 30 DHEDHN C#Cc1ccc(CNCc2c(C)nc3scc(C4CC4)n23)cc1 ZINC000883132619 1024252591 /nfs/dbraw/zinc/25/25/91/1024252591.db2.gz YENVALCIECLYCD-UHFFFAOYSA-N 0 3 321.449 3.853 20 30 DHEDHN Cn1ccnc1N=NCc1cccc(OCc2ccccc2F)c1 ZINC000790305619 1024277776 /nfs/dbraw/zinc/27/77/76/1024277776.db2.gz LDXKMMWZYUCRKX-UHFFFAOYSA-N 0 3 324.359 3.584 20 30 DHEDHN CCCOc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c([O-])c1 ZINC000269622025 1024295215 /nfs/dbraw/zinc/29/52/15/1024295215.db2.gz QHKAYEQLMQVPKT-UHFFFAOYSA-N 0 3 322.408 3.832 20 30 DHEDHN Clc1cccc(C#CCN2CCCC3(CCOCC3)C2)c1 ZINC000269669694 1024301326 /nfs/dbraw/zinc/30/13/26/1024301326.db2.gz ZXRZZDZHWRXAHL-UHFFFAOYSA-N 0 3 303.833 3.584 20 30 DHEDHN C=CCC[C@H](COc1ccccc1)NCc1cnc(CC)o1 ZINC000883226905 1024303124 /nfs/dbraw/zinc/30/31/24/1024303124.db2.gz HQDONFIKQRMVLI-OAHLLOKOSA-N 0 3 300.402 3.740 20 30 DHEDHN COc1cccc2c1OCCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000883331205 1024386822 /nfs/dbraw/zinc/38/68/22/1024386822.db2.gz UDOYKTNVRHTRTJ-YCPHGPKFSA-N 0 3 300.402 3.581 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NC2(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000453256472 1024429384 /nfs/dbraw/zinc/42/93/84/1024429384.db2.gz JPKQIMVDCICVEI-DGCLKSJQSA-N 0 3 310.319 3.856 20 30 DHEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(C#N)cc1F ZINC000271546585 1024537411 /nfs/dbraw/zinc/53/74/11/1024537411.db2.gz UAQAFEYBLUSVRV-SGTLLEGYSA-N 0 3 316.351 3.702 20 30 DHEDHN N#Cc1cccc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000453618151 1024554785 /nfs/dbraw/zinc/55/47/85/1024554785.db2.gz QJDLKXMQVLALPG-FQEVSTJZSA-N 0 3 320.436 3.942 20 30 DHEDHN Cc1ccc(C[C@@H](C)NCc2cc(C#N)cnc2Cl)s1 ZINC000877051985 1033220687 /nfs/dbraw/zinc/22/06/87/1033220687.db2.gz PXVOQRGKIWHJFK-SNVBAGLBSA-N 0 3 305.834 3.697 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C(C1CCC1)C1CCC1 ZINC000796738679 1024667832 /nfs/dbraw/zinc/66/78/32/1024667832.db2.gz MYCQNOFZHXXPRN-OAHLLOKOSA-N 0 3 321.424 3.966 20 30 DHEDHN C[C@H](CCCC#N)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001172500098 1033230119 /nfs/dbraw/zinc/23/01/19/1033230119.db2.gz JPPBFRZIHGBJDG-OAHLLOKOSA-N 0 3 305.853 3.540 20 30 DHEDHN C#CCSCCN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000318468953 1024741553 /nfs/dbraw/zinc/74/15/53/1024741553.db2.gz JHVLYGZPVAWHNK-LJQANCHMSA-N 0 3 311.450 3.741 20 30 DHEDHN COc1ccc(Cl)cc1N1CCN([C@H](C)CCCC#N)CC1 ZINC001172501460 1033232365 /nfs/dbraw/zinc/23/23/65/1033232365.db2.gz QMLVONBHEXVBQX-CQSZACIVSA-N 0 3 321.852 3.553 20 30 DHEDHN CCS[C@H]1CCC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877082744 1033233792 /nfs/dbraw/zinc/23/37/92/1033233792.db2.gz BONOGZDZZVMCOV-KBPBESRZSA-N 0 3 309.866 3.761 20 30 DHEDHN COc1cccc([C@H]2CSCCN2[C@H](C)CCCC#N)c1 ZINC001172509658 1033237195 /nfs/dbraw/zinc/23/71/95/1033237195.db2.gz NJJIPURCQSMHEU-RHSMWYFYSA-N 0 3 304.459 3.867 20 30 DHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc([S@](C)=O)cc1 ZINC000353264395 1025003165 /nfs/dbraw/zinc/00/31/65/1025003165.db2.gz HBRMHTRLWQZHKV-DPOVEGGPSA-N 0 3 324.449 3.634 20 30 DHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)OCCO2 ZINC000353260108 1025004733 /nfs/dbraw/zinc/00/47/33/1025004733.db2.gz SSUYHOGSZAHWSZ-SCLBCKFNSA-N 0 3 320.392 3.668 20 30 DHEDHN C[C@@H](NC[C@H]1CCCC2(CCC2)O1)c1ccc(C#N)cc1F ZINC000927014355 1033250326 /nfs/dbraw/zinc/25/03/26/1033250326.db2.gz ZTHFNNDOPHMWRH-UKRRQHHQSA-N 0 3 302.393 3.840 20 30 DHEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(Br)ccc1F ZINC000320211375 1025099046 /nfs/dbraw/zinc/09/90/46/1025099046.db2.gz FIUTYHLIIFTLCF-ZYHUDNBSSA-N 0 3 316.214 3.566 20 30 DHEDHN Cc1noc(C2CCN(Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135136931 1033262674 /nfs/dbraw/zinc/26/26/74/1033262674.db2.gz QVBISMBRAUVAQI-UHFFFAOYSA-N 0 3 324.428 3.559 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1cccc(OC)c1 ZINC000353632790 1025164644 /nfs/dbraw/zinc/16/46/44/1025164644.db2.gz UWDJQGNYZDPCGI-GOSISDBHSA-N 0 3 310.397 3.816 20 30 DHEDHN N#Cc1cccc(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1F ZINC000859927491 1033270838 /nfs/dbraw/zinc/27/08/38/1033270838.db2.gz IRIKPBVXHZUKDQ-GBESFXJTSA-N 0 3 306.384 3.933 20 30 DHEDHN CCCN(CCCCC#N)CC(=O)Nc1ccc(Cl)cc1 ZINC000112349943 1025243776 /nfs/dbraw/zinc/24/37/76/1025243776.db2.gz SAAMMZZCAOMLBW-UHFFFAOYSA-N 0 3 307.825 3.684 20 30 DHEDHN N#CCCC[C@@H](NCc1cccc2c1OCO2)c1ccccc1 ZINC000353916676 1025291655 /nfs/dbraw/zinc/29/16/55/1025291655.db2.gz REFYYHQHIQQJQR-QGZVFWFLSA-N 0 3 308.381 3.940 20 30 DHEDHN N#Cc1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000053221270 1025342270 /nfs/dbraw/zinc/34/22/70/1025342270.db2.gz BXRMJLBNLNOBCW-FQEVSTJZSA-N 0 3 306.409 3.739 20 30 DHEDHN N#CC1CCN(Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000123724397 1025396633 /nfs/dbraw/zinc/39/66/33/1025396633.db2.gz BAGMVPZOASLSIB-UHFFFAOYSA-N 0 3 316.408 3.761 20 30 DHEDHN C=CCOc1ccc(CN2CCCO[C@@H](C(C)C)C2)cc1OC ZINC000354788497 1025503920 /nfs/dbraw/zinc/50/39/20/1025503920.db2.gz HAMXAZPXPGZHPU-LJQANCHMSA-N 0 3 319.445 3.507 20 30 DHEDHN N#CC1(c2ccccc2)CC(N[C@H](CCCO)c2ccccc2)C1 ZINC000127322212 1025535892 /nfs/dbraw/zinc/53/58/92/1025535892.db2.gz ZXZZBLXUWGEMMA-NYLDSWQDSA-N 0 3 320.436 3.714 20 30 DHEDHN N#CC1(c2ccccc2)CC(N[C@H]2CCO[C@@H]2c2ccccc2)C1 ZINC000127502222 1025542973 /nfs/dbraw/zinc/54/29/73/1025542973.db2.gz JRNPFYMUKIMEKW-RKDVLTNBSA-N 0 3 318.420 3.730 20 30 DHEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000747233164 1025562255 /nfs/dbraw/zinc/56/22/55/1025562255.db2.gz HZYQQYLBVXSGJI-GXSJLCMTSA-N 0 3 308.403 3.753 20 30 DHEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000886355439 1025603334 /nfs/dbraw/zinc/60/33/34/1025603334.db2.gz IQZNACRBLLOARO-SJORKVTESA-N 0 3 312.457 3.791 20 30 DHEDHN CC(C)[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cnn(C)c1 ZINC000886626941 1025746226 /nfs/dbraw/zinc/74/62/26/1025746226.db2.gz ONGCFMGCEOZRTH-RBUKOAKNSA-N 0 3 308.429 3.656 20 30 DHEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)Cc1cccc(C#N)c1 ZINC000614160053 1025778180 /nfs/dbraw/zinc/77/81/80/1025778180.db2.gz RLIKKJFYIWAHLV-UHFFFAOYSA-N 0 3 303.409 3.991 20 30 DHEDHN COc1ccc(CN2C3CCC2CC3)cc1OCCCC#N ZINC000536628143 1025786280 /nfs/dbraw/zinc/78/62/80/1025786280.db2.gz DARBPQBULANEDP-UHFFFAOYSA-N 0 3 300.402 3.505 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1coc2ccccc21 ZINC000355637531 1025793902 /nfs/dbraw/zinc/79/39/02/1025793902.db2.gz TZQFIOGMMPVYMC-ZDUSSCGKSA-N 0 3 315.332 3.810 20 30 DHEDHN Cc1csc(C[C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 ZINC000886692295 1025799093 /nfs/dbraw/zinc/79/90/93/1025799093.db2.gz VTBVNTHXRAFSLE-KRWDZBQOSA-N 0 3 311.454 3.778 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CC(C)(C)CCC#N)c([O-])c1 ZINC000806550471 1025907201 /nfs/dbraw/zinc/90/72/01/1025907201.db2.gz CLWJZAYGRXZEPD-DEDYPNTBSA-N 0 3 301.434 3.987 20 30 DHEDHN C[C@H](c1ccc(C#N)c(F)c1)N1CCC[C@@]2(CCSC2)C1 ZINC000453353571 1026025102 /nfs/dbraw/zinc/02/51/02/1026025102.db2.gz JPMBGSNBQZWUSS-CXAGYDPISA-N 0 3 304.434 3.977 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]2c2cccn2C)cc1 ZINC000245504761 1026052609 /nfs/dbraw/zinc/05/26/09/1026052609.db2.gz KWVMUEWWDRVWFV-BEFAXECRSA-N 0 3 309.413 3.653 20 30 DHEDHN Cc1ccc(NC(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000065534582 1026170640 /nfs/dbraw/zinc/17/06/40/1026170640.db2.gz GLLSYCUTVABXAG-CYBMUJFWSA-N 0 3 307.378 3.851 20 30 DHEDHN COc1ccc(CN[C@@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000808394241 1026277178 /nfs/dbraw/zinc/27/71/78/1026277178.db2.gz REEGPAKQOCZSDY-AWEZNQCLSA-N 0 3 310.397 3.735 20 30 DHEDHN Cc1ccnc(OC2CCN(Cc3ccc(C#N)cc3C)CC2)c1 ZINC000614407365 1026303149 /nfs/dbraw/zinc/30/31/49/1026303149.db2.gz OAHNEXNRTKYISA-UHFFFAOYSA-N 0 3 321.424 3.614 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(C(=O)OC(C)(C)C)cc2)cc1 ZINC000809625101 1026575360 /nfs/dbraw/zinc/57/53/60/1026575360.db2.gz WWUADILFAWJOMJ-UHFFFAOYSA-N 0 3 321.420 3.913 20 30 DHEDHN C#C[C@@H](C)NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000809682928 1026591582 /nfs/dbraw/zinc/59/15/82/1026591582.db2.gz IOAVKFPUVJZKHB-CQSZACIVSA-N 0 3 313.372 3.525 20 30 DHEDHN C#C[C@H](CC)NCc1ccc(OCc2cccs2)c(OC)c1 ZINC000809686186 1026592574 /nfs/dbraw/zinc/59/25/74/1026592574.db2.gz YMMDVVVZGGOWLA-OAHLLOKOSA-N 0 3 315.438 3.837 20 30 DHEDHN C#C[C@@H](CC)NCc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000809685758 1026592904 /nfs/dbraw/zinc/59/29/04/1026592904.db2.gz PTCCXYGAFMFPEP-ZDUSSCGKSA-N 0 3 315.335 3.528 20 30 DHEDHN CC#CCN[C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000810133533 1026684748 /nfs/dbraw/zinc/68/47/48/1026684748.db2.gz IXJPDRZVFCCSQX-KRWDZBQOSA-N 0 3 316.445 3.646 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(-c2ccsc2)n1 ZINC000280660830 1026687591 /nfs/dbraw/zinc/68/75/91/1026687591.db2.gz PBTWVQKWINDQKL-WFASDCNBSA-N 0 3 320.483 3.942 20 30 DHEDHN COc1cc(CNCc2ccc3c(c2)CC(C)(C)O3)ccc1C#N ZINC000810169334 1026692208 /nfs/dbraw/zinc/69/22/08/1026692208.db2.gz WRHNGFNNUGCYAQ-UHFFFAOYSA-N 0 3 322.408 3.570 20 30 DHEDHN C=CCOc1cccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000414484156 1026901959 /nfs/dbraw/zinc/90/19/59/1026901959.db2.gz JEEABPUJGWAEQI-ICSRJNTNSA-N 0 3 309.409 3.559 20 30 DHEDHN C=CCOc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000414488628 1026913512 /nfs/dbraw/zinc/91/35/12/1026913512.db2.gz RJBMTSTZMQQPIG-UYAOXDASSA-N 0 3 309.409 3.559 20 30 DHEDHN CCCN1CCc2c(N)sc(NC3=CC[C@@H](C#N)CC3)c2C1 ZINC001212859462 1027142903 /nfs/dbraw/zinc/14/29/03/1027142903.db2.gz JVGVPMSWCLVLSS-GFCCVEGCSA-N 0 3 316.474 3.718 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000931502665 1027146955 /nfs/dbraw/zinc/14/69/55/1027146955.db2.gz TVKQOJDTQZIURM-ZDUSSCGKSA-N 0 3 321.380 3.873 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1c2ccccc2C[C@@H]1O ZINC000572574723 1027213701 /nfs/dbraw/zinc/21/37/01/1027213701.db2.gz JVROVAXWWZDWBD-ACRUOGEOSA-N 0 3 318.420 3.574 20 30 DHEDHN Cc1cc(C#N)ccc1CN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931914671 1027302987 /nfs/dbraw/zinc/30/29/87/1027302987.db2.gz VYZUABFWIXJWKF-AWEZNQCLSA-N 0 3 312.310 3.733 20 30 DHEDHN CC[C@H](Cc1ccc(Cl)cc1)NCc1nc(C#N)cs1 ZINC000575958288 1027533859 /nfs/dbraw/zinc/53/38/59/1027533859.db2.gz ITBJBQXILMMMKH-CYBMUJFWSA-N 0 3 305.834 3.779 20 30 DHEDHN C#CCN1CC[C@]2(CCCN2C/C=C/CCCCCCC)C1=O ZINC001275840117 1027670173 /nfs/dbraw/zinc/67/01/73/1027670173.db2.gz DHQSAULUGFDLGN-CTDFXDFQSA-N 0 3 316.489 3.603 20 30 DHEDHN CC(C)[C@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000008002999 1027961759 /nfs/dbraw/zinc/96/17/59/1027961759.db2.gz UBVRLASRHPTIOJ-KXBFYZLASA-N 0 3 321.424 3.872 20 30 DHEDHN C=CCCC[C@@H](C(=O)NC[C@H]1CCCCN1C)c1ccccc1 ZINC001134555746 1028159649 /nfs/dbraw/zinc/15/96/49/1028159649.db2.gz CPPGOZZRISWVPP-RTBURBONSA-N 0 3 314.473 3.727 20 30 DHEDHN C#CC[C@@H](NC[C@@H](O)c1cc2ccccc2o1)c1ccccc1 ZINC000815083699 1028354433 /nfs/dbraw/zinc/35/44/33/1028354433.db2.gz XVBIZBYPKDMAHD-QZTJIDSGSA-N 0 3 305.377 3.820 20 30 DHEDHN C=CCOc1cccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000565088414 1028536165 /nfs/dbraw/zinc/53/61/65/1028536165.db2.gz DATPICSLRFOSHL-SFHVURJKSA-N 0 3 311.429 3.928 20 30 DHEDHN C=CCCCC(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000370067527 1028561846 /nfs/dbraw/zinc/56/18/46/1028561846.db2.gz ZKEDGZOXXLUEIT-QAPCUYQASA-N 0 3 320.864 3.805 20 30 DHEDHN CN(C)Cc1ccccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000565396793 1028583400 /nfs/dbraw/zinc/58/34/00/1028583400.db2.gz YFWGVNGFJDSJPB-UHFFFAOYSA-N 0 3 321.424 3.802 20 30 DHEDHN CCCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000565664996 1028616927 /nfs/dbraw/zinc/61/69/27/1028616927.db2.gz IQFQVYDTMOLOLC-UHFFFAOYSA-N 0 3 321.852 3.707 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@H](OC)[C@@H](C)C2)ccc1OC ZINC000449495844 1028707469 /nfs/dbraw/zinc/70/74/69/1028707469.db2.gz IJNRHFVSILSJBS-RDJZCZTQSA-N 0 3 319.445 3.507 20 30 DHEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000076826073 1028736211 /nfs/dbraw/zinc/73/62/11/1028736211.db2.gz GWXCLAKZOKBNCD-NVXWUHKLSA-N 0 3 314.429 3.618 20 30 DHEDHN C=CCC1(NCc2c(Br)cnn2C)CCCCC1 ZINC000449571068 1028814409 /nfs/dbraw/zinc/81/44/09/1028814409.db2.gz DRMMFYNNDCEPGA-UHFFFAOYSA-N 0 3 312.255 3.551 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000567034052 1028822145 /nfs/dbraw/zinc/82/21/45/1028822145.db2.gz ODNIAJSQSUKMNC-NVXWUHKLSA-N 0 3 311.454 3.906 20 30 DHEDHN C[C@H]1C[C@H](c2ccsc2)CN1Cc1cnc2ccc(C#N)cn12 ZINC000372405883 1028849975 /nfs/dbraw/zinc/84/99/75/1028849975.db2.gz ZRLBPAXUSPXXOH-BBRMVZONSA-N 0 3 322.437 3.645 20 30 DHEDHN Cc1ncsc1CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372421786 1028855930 /nfs/dbraw/zinc/85/59/30/1028855930.db2.gz XKYWYLSJACBMGG-UHFFFAOYSA-N 0 3 309.438 3.655 20 30 DHEDHN C=CCC[C@H](CO)NCc1ccc(-c2cccc(F)c2F)o1 ZINC000449697169 1028919634 /nfs/dbraw/zinc/91/96/34/1028919634.db2.gz KJCHWAUQRWEHHO-GFCCVEGCSA-N 0 3 307.340 3.642 20 30 DHEDHN N#CC1(CN[C@@H]2CCc3ccc(Br)cc3C2)CCC1 ZINC001170846012 1029025072 /nfs/dbraw/zinc/02/50/72/1029025072.db2.gz WKTWLHBTPHLVFT-OAHLLOKOSA-N 0 3 319.246 3.590 20 30 DHEDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCC1(C#N)CCCCC1 ZINC000411306099 1029094815 /nfs/dbraw/zinc/09/48/15/1029094815.db2.gz LCALYAKKHGTKCA-QZTJIDSGSA-N 0 3 319.493 3.572 20 30 DHEDHN C[S@](=O)C[C@H](NCCC1(C#N)CCCCC1)c1ccccc1 ZINC000411468771 1029137757 /nfs/dbraw/zinc/13/77/57/1029137757.db2.gz CVJKEQVIDWOVQN-JTSKRJEESA-N 0 3 318.486 3.560 20 30 DHEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2cc(C)sc2C)C1=O ZINC001276172505 1029173391 /nfs/dbraw/zinc/17/33/91/1029173391.db2.gz RRGJUKYDTXGLKW-SFHVURJKSA-N 0 3 318.486 3.508 20 30 DHEDHN CC1(C)CN(CCC2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000411662465 1029180566 /nfs/dbraw/zinc/18/05/66/1029180566.db2.gz NYHFLVDNLXYWTA-IBGZPJMESA-N 0 3 320.477 3.511 20 30 DHEDHN CCc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000191001617 1029239549 /nfs/dbraw/zinc/23/95/49/1029239549.db2.gz GKFFXUKMQCEASH-HNNXBMFYSA-N 0 3 301.349 3.682 20 30 DHEDHN CCc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1 ZINC000191001617 1029239565 /nfs/dbraw/zinc/23/95/65/1029239565.db2.gz GKFFXUKMQCEASH-HNNXBMFYSA-N 0 3 301.349 3.682 20 30 DHEDHN C#CCN(Cc1cccc(C(=O)N2CCCCC2)c1)C1CCCC1 ZINC000155742072 1029290565 /nfs/dbraw/zinc/29/05/65/1029290565.db2.gz QTVPFLWFJFDESJ-UHFFFAOYSA-N 0 3 324.468 3.691 20 30 DHEDHN N=C(N[C@@H]1CCc2cccc(Cl)c2C1)c1ccc(Cl)cn1 ZINC001170901779 1029389035 /nfs/dbraw/zinc/38/90/35/1029389035.db2.gz JWZFTAVAXNOQQS-GFCCVEGCSA-N 0 3 320.223 3.651 20 30 DHEDHN C[C@@H](NN=C1CCCC[C@H]1N1CCCCC1)c1ccncc1 ZINC000819817084 1029614234 /nfs/dbraw/zinc/61/42/34/1029614234.db2.gz VILDMKOGJSVVRA-CRAIPNDOSA-N 0 3 300.450 3.517 20 30 DHEDHN CCCCCCCCCCCC[C@@H](O)CNCC1(F)CNC1 ZINC001245990476 1029620117 /nfs/dbraw/zinc/62/01/17/1029620117.db2.gz JEKLHALGTNRPRF-QGZVFWFLSA-N 0 3 316.505 3.559 20 30 DHEDHN C=CC[C@@H]1CC[C@H](NCc2ncc(Br)s2)C1 ZINC000865850079 1030042398 /nfs/dbraw/zinc/04/23/98/1030042398.db2.gz UFLCHUQGODVVJW-ZJUUUORDSA-N 0 3 301.253 3.740 20 30 DHEDHN CC(C)(C#N)CCN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451913541 1030058026 /nfs/dbraw/zinc/05/80/26/1030058026.db2.gz QKLYBULEEBMHIZ-HNNXBMFYSA-N 0 3 315.244 3.730 20 30 DHEDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000452033746 1030103846 /nfs/dbraw/zinc/10/38/46/1030103846.db2.gz HKAPGRIIWIZHOT-HUUCEWRRSA-N 0 3 324.371 3.597 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000924847883 1030202780 /nfs/dbraw/zinc/20/27/80/1030202780.db2.gz FXGYVHMPOOQHPB-XOKHGSTOSA-N 0 3 304.409 3.964 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@@H]2CCCc3ncccc32)c1 ZINC000866297447 1030210007 /nfs/dbraw/zinc/21/00/07/1030210007.db2.gz JPEMPZVKZFCCCC-OXJNMPFZSA-N 0 3 321.424 3.930 20 30 DHEDHN C=C(C)CN(CC)C(=O)CNC1(c2ccc(F)cc2)CCCC1 ZINC000533374500 1030301234 /nfs/dbraw/zinc/30/12/34/1030301234.db2.gz WCPCXLKLJDLJKG-UHFFFAOYSA-N 0 3 318.436 3.609 20 30 DHEDHN CC[C@H](NCCOc1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000358192704 1030372355 /nfs/dbraw/zinc/37/23/55/1030372355.db2.gz QALSSGOLTCFXNU-SFHVURJKSA-N 0 3 316.351 3.956 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000533513407 1030396789 /nfs/dbraw/zinc/39/67/89/1030396789.db2.gz BKONCTTYQLASRB-APWZRJJASA-N 0 3 314.473 3.931 20 30 DHEDHN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1nc2c(s1)CCCC2 ZINC000866617929 1030407040 /nfs/dbraw/zinc/40/70/40/1030407040.db2.gz RKIPSOGXGQPWQH-WBMJQRKESA-N 0 3 323.465 3.712 20 30 DHEDHN CCOc1ccc2c(c1)[C@H](N[C@H](C)CC(C)(C)C#N)CCO2 ZINC000926209673 1030658071 /nfs/dbraw/zinc/65/80/71/1030658071.db2.gz GTVXHRDBQQTAIU-CZUORRHYSA-N 0 3 302.418 3.827 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)c1ccc(Br)cn1 ZINC000926336726 1030703299 /nfs/dbraw/zinc/70/32/99/1030703299.db2.gz HHDOVHCWCHSFMI-GHMZBOCLSA-N 0 3 310.239 3.823 20 30 DHEDHN C#Cc1cccc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)c1 ZINC000825227633 1030763696 /nfs/dbraw/zinc/76/36/96/1030763696.db2.gz VWSAECGCBGEEAT-MRXNPFEDSA-N 0 3 318.420 3.646 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000926781426 1030921991 /nfs/dbraw/zinc/92/19/91/1030921991.db2.gz WFLCIFAQIUTXHN-SMDDNHRTSA-N 0 3 314.351 3.657 20 30 DHEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc(C(C)C)cc2)C1=O ZINC001275656324 1031011681 /nfs/dbraw/zinc/01/16/81/1031011681.db2.gz YSGRTWWPSYYZJL-HXUWFJFHSA-N 0 3 312.457 3.563 20 30 DHEDHN C=CCCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000359787072 1031138036 /nfs/dbraw/zinc/13/80/36/1031138036.db2.gz CHMRIEBMLLYXJD-FUHWJXTLSA-N 0 3 312.457 3.512 20 30 DHEDHN C=CCOCCN1CC=C(c2cccc(Br)c2)CC1 ZINC000559154883 1031144259 /nfs/dbraw/zinc/14/42/59/1031144259.db2.gz IEORCEKKZUPNHC-UHFFFAOYSA-N 0 3 322.246 3.741 20 30 DHEDHN Cc1nc(NC[C@@H](c2cccs2)N(C)C)c(Cl)cc1C#N ZINC000359844906 1031162105 /nfs/dbraw/zinc/16/21/05/1031162105.db2.gz SWOSGKKHFCTYFZ-ZDUSSCGKSA-N 0 3 320.849 3.691 20 30 DHEDHN N#Cc1cncc(CN2CCC3(CCCc4ccccc43)CC2)c1 ZINC001144074365 1031225880 /nfs/dbraw/zinc/22/58/80/1031225880.db2.gz KQCGMIFBAUEMHT-UHFFFAOYSA-N 0 3 317.436 3.823 20 30 DHEDHN N#Cc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)nc1 ZINC001144153606 1031290552 /nfs/dbraw/zinc/29/05/52/1031290552.db2.gz HADPFKCDXBIDDF-UHFFFAOYSA-N 0 3 301.393 3.514 20 30 DHEDHN N#Cc1ccc(NC[C@@H]2CSCCN2Cc2ccccc2)cc1 ZINC000428655820 1031300857 /nfs/dbraw/zinc/30/08/57/1031300857.db2.gz FLYVHOQQZGSQNA-LJQANCHMSA-N 0 3 323.465 3.588 20 30 DHEDHN COc1cccc(CN(Cc2cncc(C#N)c2)CC(C)C)c1 ZINC000929398823 1031510970 /nfs/dbraw/zinc/51/09/70/1031510970.db2.gz WABYIWOJSSJEPY-UHFFFAOYSA-N 0 3 309.413 3.620 20 30 DHEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000872131755 1031525960 /nfs/dbraw/zinc/52/59/60/1031525960.db2.gz ANLZUOXAYRNFPL-VMDGZTHMSA-N 0 3 312.388 3.860 20 30 DHEDHN C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000537405494 1031592666 /nfs/dbraw/zinc/59/26/66/1031592666.db2.gz LKFUVYONWAXTNF-SUNYJGFJSA-N 0 3 304.409 3.943 20 30 DHEDHN Cc1nn(C)cc1[C@@H]1CCCN1Cc1c(C)cc(C#N)cc1C ZINC000929835100 1031621206 /nfs/dbraw/zinc/62/12/06/1031621206.db2.gz POSMZYKFBGUCSN-IBGZPJMESA-N 0 3 308.429 3.554 20 30 DHEDHN N#Cc1cncc(CN(C2CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000929889688 1031637092 /nfs/dbraw/zinc/63/70/92/1031637092.db2.gz HCCXAHLWBAGKQK-HXUWFJFHSA-N 0 3 303.409 3.995 20 30 DHEDHN N#Cc1ccc(C2CCN(Cc3cccc(F)c3N)CC2)cc1 ZINC000897588815 1031664854 /nfs/dbraw/zinc/66/48/54/1031664854.db2.gz NWBJLJCWXFKGCR-UHFFFAOYSA-N 0 3 309.388 3.659 20 30 DHEDHN N#Cc1c(F)cccc1CNC[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000873149916 1031725108 /nfs/dbraw/zinc/72/51/08/1031725108.db2.gz VGRMAONCGSYWPK-GXTWGEPZSA-N 0 3 312.310 3.932 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@@H](Oc3cccc(OC)c3)C2)cc1 ZINC001144574010 1031725571 /nfs/dbraw/zinc/72/55/71/1031725571.db2.gz XZCOBEAOSIKOLL-OAQYLSRUSA-N 0 3 321.420 3.720 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001144576826 1031725945 /nfs/dbraw/zinc/72/59/45/1031725945.db2.gz RPCFRMTUSFCLLA-FQEVSTJZSA-N 0 3 316.404 3.583 20 30 DHEDHN CC(C)(C)c1ccc(CNCc2cnc3ccc(C#N)cn23)s1 ZINC000873153753 1031726592 /nfs/dbraw/zinc/72/65/92/1031726592.db2.gz GLHYIUVOLSCJFE-UHFFFAOYSA-N 0 3 324.453 3.855 20 30 DHEDHN CC1(C)CCc2onc(CNC3CCC(C)(C#N)CC3)c2C1 ZINC000873174363 1031738546 /nfs/dbraw/zinc/73/85/46/1031738546.db2.gz GIZYQWSCENLNBN-UHFFFAOYSA-N 0 3 301.434 3.752 20 30 DHEDHN C[C@H](NCc1nc(C#N)cs1)[C@@H](C)c1ccc(Cl)cc1 ZINC000897628747 1031756497 /nfs/dbraw/zinc/75/64/97/1031756497.db2.gz BEXSHVSKHKQQNI-MNOVXSKESA-N 0 3 305.834 3.950 20 30 DHEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000026470135 1031766780 /nfs/dbraw/zinc/76/67/80/1031766780.db2.gz DWUWWTURGVNOJM-SWLSCSKDSA-N 0 3 319.836 3.661 20 30 DHEDHN N#CC1(CCCCN2CC[C@@H](n3cc(Cl)cn3)C2)CCC1 ZINC000930525947 1031857937 /nfs/dbraw/zinc/85/79/37/1031857937.db2.gz CYBAIRGTESFYCC-OAHLLOKOSA-N 0 3 306.841 3.647 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000930595367 1031883755 /nfs/dbraw/zinc/88/37/55/1031883755.db2.gz VDCGFOVEOZGFLF-AWEZNQCLSA-N 0 3 309.369 3.934 20 30 DHEDHN CCN(CC1CCC1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000361481320 1031945727 /nfs/dbraw/zinc/94/57/27/1031945727.db2.gz LPUDZNDNLLVUJZ-GFCCVEGCSA-N 0 3 319.836 3.661 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N(C)Cc1cccc(F)c1F ZINC001171228787 1031989688 /nfs/dbraw/zinc/98/96/88/1031989688.db2.gz IXRNTJZTWVXNTC-CYBMUJFWSA-N 0 3 300.352 3.899 20 30 DHEDHN N#Cc1cnc(Cl)c(CN[C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000877499128 1033324329 /nfs/dbraw/zinc/32/43/29/1033324329.db2.gz YVPDWPJBYHDYRT-HNNXBMFYSA-N 0 3 318.207 3.517 20 30 DHEDHN CSCC1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877561752 1033359184 /nfs/dbraw/zinc/35/91/84/1033359184.db2.gz PSLNZCSSPVUAFC-UHFFFAOYSA-N 0 3 309.866 3.618 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000237499284 1033398236 /nfs/dbraw/zinc/39/82/36/1033398236.db2.gz HYGKADIHCCEDSC-KBPBESRZSA-N 0 3 324.380 3.557 20 30 DHEDHN C[C@H](CSc1ccc(Cl)cc1)NC(=N)c1ccc(F)cn1 ZINC001172883529 1033459997 /nfs/dbraw/zinc/45/99/97/1033459997.db2.gz SOEWVUPCDFFUGK-SNVBAGLBSA-N 0 3 323.824 3.760 20 30 DHEDHN COc1cc(C#N)c(Nc2ccc3nc(C)[nH]c3c2)cc1OC ZINC001213074406 1033472001 /nfs/dbraw/zinc/47/20/01/1033472001.db2.gz SVFGEXCZCKUPTK-UHFFFAOYSA-N 0 3 308.341 3.504 20 30 DHEDHN CC(=O)[C@](C#N)(CCN1C2CCCC1CCC2)c1ccccc1 ZINC000878133038 1033593183 /nfs/dbraw/zinc/59/31/83/1033593183.db2.gz FTBWJKQOQSMUQU-SOAGJPPSSA-N 0 3 310.441 3.834 20 30 DHEDHN COc1cc(C[NH2+]C2CCC(CC#N)CC2)cc(Cl)c1[O-] ZINC001173334295 1033690929 /nfs/dbraw/zinc/69/09/29/1033690929.db2.gz PPBZUVOQLSLDLX-UHFFFAOYSA-N 0 3 308.809 3.616 20 30 DHEDHN N#CCC1CCC(N2CCN(c3ccccc3Cl)CC2)CC1 ZINC001173339412 1033694817 /nfs/dbraw/zinc/69/48/17/1033694817.db2.gz ONJDUNPFZMCXRK-UHFFFAOYSA-N 0 3 317.864 3.934 20 30 DHEDHN C=CCOC1CCC(NCc2c(F)ccc(OC)c2F)CC1 ZINC001173315132 1033706735 /nfs/dbraw/zinc/70/67/35/1033706735.db2.gz ICDRTQOASMVGIE-UHFFFAOYSA-N 0 3 311.372 3.577 20 30 DHEDHN C=CCOC1CCC(N[C@@H]2CCOc3cc(F)cc(F)c32)CC1 ZINC001173317808 1033710486 /nfs/dbraw/zinc/71/04/86/1033710486.db2.gz JGBMCYAVKBCKIT-ZBCRRDGASA-N 0 3 323.383 3.892 20 30 DHEDHN C=CCCCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000479527548 1033790922 /nfs/dbraw/zinc/79/09/22/1033790922.db2.gz NHOBRWIOZZTOFZ-INIZCTEOSA-N 0 3 320.502 3.994 20 30 DHEDHN C=CC[C@H]1CCN(Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000862440996 1033856702 /nfs/dbraw/zinc/85/67/02/1033856702.db2.gz NKPQZDBQSJLSGB-LBPRGKRZSA-N 0 3 323.462 3.888 20 30 DHEDHN CN(C)Cc1ccccc1Nc1ccc2nc(C#N)sc2c1 ZINC001173931963 1033996339 /nfs/dbraw/zinc/99/63/39/1033996339.db2.gz OUNFOAVUNLCRBZ-UHFFFAOYSA-N 0 3 308.410 3.973 20 30 DHEDHN N#Cc1ccc(NC2=CCCN(Cc3ccccc3)C2)cc1F ZINC001174396527 1034322157 /nfs/dbraw/zinc/32/21/57/1034322157.db2.gz FQWGYHHFEPKCBW-UHFFFAOYSA-N 0 3 307.372 3.899 20 30 DHEDHN CCc1cnccc1[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000773430549 1034691058 /nfs/dbraw/zinc/69/10/58/1034691058.db2.gz ZVGKYXJBSWBSQQ-CABCVRRESA-N 0 3 309.413 3.786 20 30 DHEDHN N#CCc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1 ZINC001175506327 1035017292 /nfs/dbraw/zinc/01/72/92/1035017292.db2.gz VEQAMXKRBKYVEP-UHFFFAOYSA-N 0 3 303.409 3.954 20 30 DHEDHN N#Cc1ccc(NC2=CCN(Cc3ccccc3)CC2)c(C#N)c1 ZINC001175506903 1035018996 /nfs/dbraw/zinc/01/89/96/1035018996.db2.gz IZADNHVSGCJOKP-UHFFFAOYSA-N 0 3 314.392 3.632 20 30 DHEDHN COCc1ccccc1CNC1CC(C#N)(c2ccccc2)C1 ZINC000158473442 1035093554 /nfs/dbraw/zinc/09/35/54/1035093554.db2.gz FTGDLLGFLSUAIJ-UHFFFAOYSA-N 0 3 306.409 3.547 20 30 DHEDHN C#Cc1cc(Nc2ccc(N3CCN(CC)CC3)cc2)ccc1F ZINC001175781394 1035119629 /nfs/dbraw/zinc/11/96/29/1035119629.db2.gz UBUJTSFZFRWGNH-UHFFFAOYSA-N 0 3 323.415 3.693 20 30 DHEDHN C#Cc1cccc(Nc2ccc(CN3CCN(CC)CC3)cc2)c1 ZINC001175974857 1035171353 /nfs/dbraw/zinc/17/13/53/1035171353.db2.gz DLCBVCCEPXBJGR-UHFFFAOYSA-N 0 3 319.452 3.549 20 30 DHEDHN N#Cc1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)ccc1C1CC1 ZINC001176011264 1035184466 /nfs/dbraw/zinc/18/44/66/1035184466.db2.gz UDRUQKBUHUXSOL-IBGZPJMESA-N 0 3 323.440 3.781 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483099629 1035224981 /nfs/dbraw/zinc/22/49/81/1035224981.db2.gz RCDJKFZAJLHDPX-MRXNPFEDSA-N 0 3 310.372 3.695 20 30 DHEDHN C=C(CC)CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483268538 1035249332 /nfs/dbraw/zinc/24/93/32/1035249332.db2.gz KIERBCWEYSAXQW-ZDUSSCGKSA-N 0 3 307.743 3.948 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(F)c(C#N)c1 ZINC000160858846 1035256790 /nfs/dbraw/zinc/25/67/90/1035256790.db2.gz WIANVIZVJYESCT-UHFFFAOYSA-N 0 3 307.372 3.981 20 30 DHEDHN CN(CCCOc1ccc(F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000483515755 1035275553 /nfs/dbraw/zinc/27/55/53/1035275553.db2.gz NUNVUSFCDNWVSF-UHFFFAOYSA-N 0 3 316.351 3.737 20 30 DHEDHN Cc1ccccc1OCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC000483520565 1035277328 /nfs/dbraw/zinc/27/73/28/1035277328.db2.gz VCVAXPGVLGULLL-UHFFFAOYSA-N 0 3 312.388 3.907 20 30 DHEDHN CN(C)[C@H]1CCOc2c(Nc3ccc(F)c(C#N)c3)cccc21 ZINC001176618557 1035302844 /nfs/dbraw/zinc/30/28/44/1035302844.db2.gz SQXQOCSDFHADBE-KRWDZBQOSA-N 0 3 311.360 3.826 20 30 DHEDHN C=CCC[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001176771747 1035330706 /nfs/dbraw/zinc/33/07/06/1035330706.db2.gz TZPJVUAHVKKWJY-OAHLLOKOSA-N 0 3 313.397 3.738 20 30 DHEDHN C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001176771747 1035330712 /nfs/dbraw/zinc/33/07/12/1035330712.db2.gz TZPJVUAHVKKWJY-OAHLLOKOSA-N 0 3 313.397 3.738 20 30 DHEDHN FC(F)(F)c1ccc(C#CCNC2([C@@H]3CCCO3)CCC2)cc1 ZINC001176941105 1035339046 /nfs/dbraw/zinc/33/90/46/1035339046.db2.gz XUORREWCAJVIID-INIZCTEOSA-N 0 3 323.358 3.748 20 30 DHEDHN C=CCN1CCC(NC(=O)C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000668370201 1035386854 /nfs/dbraw/zinc/38/68/54/1035386854.db2.gz PZZBACCICPJLSC-UHFFFAOYSA-N 0 3 306.494 3.606 20 30 DHEDHN N#CCc1ccc(CNCc2cnc3c(F)cccc3c2)cc1 ZINC001179028542 1035463215 /nfs/dbraw/zinc/46/32/15/1035463215.db2.gz UFBJYVYIBWRNKV-UHFFFAOYSA-N 0 3 305.356 3.730 20 30 DHEDHN C#C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000775575523 1035565891 /nfs/dbraw/zinc/56/58/91/1035565891.db2.gz YGTLMNFMCBIOSP-VDGAXYAQSA-N 0 3 312.457 3.508 20 30 DHEDHN C=CCOC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC001194319747 1035899520 /nfs/dbraw/zinc/89/95/20/1035899520.db2.gz BQLFTJKCTABPRP-KRWDZBQOSA-N 0 3 322.408 3.998 20 30 DHEDHN C=C(C)CN(CCc1ccc(F)cc1)Cc1ccc(CO)o1 ZINC001181697333 1035975825 /nfs/dbraw/zinc/97/58/25/1035975825.db2.gz ILKSGKBTGCCQMJ-UHFFFAOYSA-N 0 3 303.377 3.532 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C)c1 ZINC000773975348 1036104529 /nfs/dbraw/zinc/10/45/29/1036104529.db2.gz KKWASMVJQZXQDA-HIFRSBDPSA-N 0 3 300.402 3.715 20 30 DHEDHN N#Cc1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000386513419 1036223441 /nfs/dbraw/zinc/22/34/41/1036223441.db2.gz SKUUGIKDRLFCBT-UHFFFAOYSA-N 0 3 306.287 3.747 20 30 DHEDHN COc1ccc(CN[C@H]2CCCNc3ccccc32)cc1C#N ZINC000774270919 1036270441 /nfs/dbraw/zinc/27/04/41/1036270441.db2.gz QYMYRDQTWGYTIS-SFHVURJKSA-N 0 3 307.397 3.603 20 30 DHEDHN N#Cc1ccc(C2(NCc3cccn3C(F)F)CCC2)cc1 ZINC001182594847 1036400352 /nfs/dbraw/zinc/40/03/52/1036400352.db2.gz LYFCLNPZZKNZTJ-UHFFFAOYSA-N 0 3 301.340 3.924 20 30 DHEDHN N#Cc1cccc([C@H](O)CN(Cc2ccccc2F)CC2CC2)c1 ZINC001196238842 1036489136 /nfs/dbraw/zinc/48/91/36/1036489136.db2.gz WBACZLPUKNUFOH-HXUWFJFHSA-N 0 3 324.399 3.643 20 30 DHEDHN N#Cc1ccc(N2CCN(Cc3cccc4ccoc43)CC2)cc1 ZINC001183378716 1036587712 /nfs/dbraw/zinc/58/77/12/1036587712.db2.gz APBYYHQCXDRISH-UHFFFAOYSA-N 0 3 317.392 3.627 20 30 DHEDHN CCCCCCCC[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C)C2)CC1 ZINC001273738293 1036699902 /nfs/dbraw/zinc/69/99/02/1036699902.db2.gz OBBABDCIMMHKBG-QZTJIDSGSA-N 0 3 320.521 3.927 20 30 DHEDHN COc1cccc2c1CC[C@@H]2NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000151908796 1036718749 /nfs/dbraw/zinc/71/87/49/1036718749.db2.gz UNNKWLJJSIFPJF-LIRRHRJNSA-N 0 3 322.408 3.763 20 30 DHEDHN Cc1cc(CN(C)C)cc(NC(=O)/C=C/c2cccc(C#N)c2)c1 ZINC000492251672 1036804584 /nfs/dbraw/zinc/80/45/84/1036804584.db2.gz XSMFORGRSININU-BQYQJAHWSA-N 0 3 319.408 3.580 20 30 DHEDHN C=CCCn1cc(CN2CC[C@@H](c3ccccc3)C2(C)C)nn1 ZINC000653769119 1036906747 /nfs/dbraw/zinc/90/67/47/1036906747.db2.gz WTGIMMMQITUQLB-SFHVURJKSA-N 0 3 310.445 3.622 20 30 DHEDHN COc1ccc(C#N)cc1CN[C@@H](C)COCC1CCCCC1 ZINC001198000745 1036925509 /nfs/dbraw/zinc/92/55/09/1036925509.db2.gz JIYWQSKLWIXKHD-HNNXBMFYSA-N 0 3 316.445 3.642 20 30 DHEDHN CCCCN1CCCC[C@H]1CNc1nc(C)c(C#N)cc1Cl ZINC001185099273 1037027599 /nfs/dbraw/zinc/02/75/99/1037027599.db2.gz ZSBGWUMODSTADK-HNNXBMFYSA-N 0 3 320.868 3.982 20 30 DHEDHN C=CCCCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000175477565 1037050260 /nfs/dbraw/zinc/05/02/60/1037050260.db2.gz BJZQIXPBJINFBD-UHFFFAOYSA-N 0 3 318.486 3.573 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(-n2cccn2)cc1 ZINC001199275119 1037226944 /nfs/dbraw/zinc/22/69/44/1037226944.db2.gz CWZJOKIYXGXFKE-UHFFFAOYSA-N 0 3 316.408 3.651 20 30 DHEDHN CN(C)Cc1ccc(C(=O)Nc2c(C#N)oc3ccccc32)cc1 ZINC001187278012 1037610803 /nfs/dbraw/zinc/61/08/03/1037610803.db2.gz QMAATYAEXSJDCQ-UHFFFAOYSA-N 0 3 319.364 3.618 20 30 DHEDHN C[C@@H](N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000027133557 1037646603 /nfs/dbraw/zinc/64/66/03/1037646603.db2.gz ZDQNMOLSLAAPOP-LLVKDONJSA-N 0 3 307.825 3.517 20 30 DHEDHN CN(C)c1ccncc1C=[NH+][N-]c1cccc(C(F)(F)F)c1 ZINC000776183881 1037654822 /nfs/dbraw/zinc/65/48/22/1037654822.db2.gz RGAVEDJCQBRCOB-UHFFFAOYSA-N 0 3 308.307 3.612 20 30 DHEDHN CN(C)c1ccncc1C=NOc1ccccc1C(F)(F)F ZINC000776187662 1037682052 /nfs/dbraw/zinc/68/20/52/1037682052.db2.gz KLFONGJXXORGJC-UHFFFAOYSA-N 0 3 309.291 3.579 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000775135553 1037685702 /nfs/dbraw/zinc/68/57/02/1037685702.db2.gz GVMLGXSHYDLTSK-TZMCWYRMSA-N 0 3 312.335 3.752 20 30 DHEDHN N#Cc1cncc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC001201470495 1037686483 /nfs/dbraw/zinc/68/64/83/1037686483.db2.gz UENUTYVONFWRII-UXHICEINSA-N 0 3 316.408 3.686 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000185728495 1037834460 /nfs/dbraw/zinc/83/44/60/1037834460.db2.gz OVIGNLJUPBLVOD-ROUUACIJSA-N 0 3 314.473 3.712 20 30 DHEDHN COc1ccc(C[C@H](C)CN(CCC#N)CC2CC2)cc1F ZINC000186690148 1037924689 /nfs/dbraw/zinc/92/46/89/1037924689.db2.gz PPPFTRKZWQFDBR-AWEZNQCLSA-N 0 3 304.409 3.639 20 30 DHEDHN C#C[C@H](C)N(C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000775183538 1037947244 /nfs/dbraw/zinc/94/72/44/1037947244.db2.gz NVKIPJMNASMPNV-INIZCTEOSA-N 0 3 304.393 3.591 20 30 DHEDHN N#Cc1ccc(CN2CCC3(CCC3)CC2)c(OC(F)F)c1 ZINC000586783396 1037966926 /nfs/dbraw/zinc/96/69/26/1037966926.db2.gz UISSFJJGXVTPTA-UHFFFAOYSA-N 0 3 306.356 3.926 20 30 DHEDHN Cn1cc(CN2CCC3(CCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000586783222 1037967970 /nfs/dbraw/zinc/96/79/70/1037967970.db2.gz JJMBZGAFZGHXDO-UHFFFAOYSA-N 0 3 320.440 3.725 20 30 DHEDHN CCCCSCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916885029 1038025575 /nfs/dbraw/zinc/02/55/75/1038025575.db2.gz KRTCAGIUIFDXLQ-CYBMUJFWSA-N 0 3 324.833 3.521 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCC(C)C ZINC000916903709 1038029454 /nfs/dbraw/zinc/02/94/54/1038029454.db2.gz QVUJVUICDMIFAK-INIZCTEOSA-N 0 3 314.429 3.895 20 30 DHEDHN CC[C@@H](C)N(CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000595593162 1038107622 /nfs/dbraw/zinc/10/76/22/1038107622.db2.gz OLOWQMSEHXJMEM-MRXNPFEDSA-N 0 3 315.461 3.671 20 30 DHEDHN CN(CCCOc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000917052411 1038131430 /nfs/dbraw/zinc/13/14/30/1038131430.db2.gz SEPVHQNUMCMNEI-UHFFFAOYSA-N 0 3 316.351 3.737 20 30 DHEDHN C#CCSCCNCc1ccc(Br)cc1Cl ZINC000164640979 1038234804 /nfs/dbraw/zinc/23/48/04/1038234804.db2.gz MUESPZFWDZWHOT-UHFFFAOYSA-N 0 3 318.667 3.559 20 30 DHEDHN Cc1cc(C#N)ccc1CN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000588214984 1038275878 /nfs/dbraw/zinc/27/58/78/1038275878.db2.gz VZHJMTQZWWMIRR-SFHVURJKSA-N 0 3 314.816 3.733 20 30 DHEDHN C=C(Br)CN[C@@H](c1ccccc1)C1CCOCC1 ZINC000775437382 1038441553 /nfs/dbraw/zinc/44/15/53/1038441553.db2.gz ATVZQXUPNWTGIT-HNNXBMFYSA-N 0 3 310.235 3.653 20 30 DHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc2occc2c1 ZINC000589210636 1038451648 /nfs/dbraw/zinc/45/16/48/1038451648.db2.gz VNOYAYRZCMVFDH-UHFFFAOYSA-N 0 3 320.392 3.953 20 30 DHEDHN N#C[C@H]1CC[C@H](N2CCC(c3nc(-c4ccccc4)no3)CC2)C1 ZINC000590158581 1038593361 /nfs/dbraw/zinc/59/33/61/1038593361.db2.gz SUOVWPZBUDTRLA-YOEHRIQHSA-N 0 3 322.412 3.608 20 30 DHEDHN CC(C)Oc1ccccc1[C@H](C)NC[C@@H](O)c1cccc(C#N)c1 ZINC001192758908 1038701343 /nfs/dbraw/zinc/70/13/43/1038701343.db2.gz VDSLLVYJPDAASO-HNAYVOBHSA-N 0 3 324.424 3.730 20 30 DHEDHN Cc1nccc([C@H]2CCCN(CCC3(C#N)CCCCC3)C2)n1 ZINC000591011539 1038743321 /nfs/dbraw/zinc/74/33/21/1038743321.db2.gz DPHZUHKYXJXTFN-KRWDZBQOSA-N 0 3 312.461 3.829 20 30 DHEDHN COc1cc(CNCC(C)(C)CC#N)cc(C(F)(F)F)c1 ZINC000598980606 1038973542 /nfs/dbraw/zinc/97/35/42/1038973542.db2.gz HCHZBVPSWRNAPV-UHFFFAOYSA-N 0 3 300.324 3.743 20 30 DHEDHN CC[C@@H](OCCNCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000593664675 1038998084 /nfs/dbraw/zinc/99/80/84/1038998084.db2.gz SQBKPCLWORSITB-LJQANCHMSA-N 0 3 312.388 3.955 20 30 DHEDHN C[C@H](NCc1ccncc1C#N)C1(c2ccccc2)CCCC1 ZINC000592107759 1039116389 /nfs/dbraw/zinc/11/63/89/1039116389.db2.gz NTHGBGDQEDAGMA-INIZCTEOSA-N 0 3 305.425 3.943 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(C)c(C#N)c2)cc1OC ZINC000599349437 1039126673 /nfs/dbraw/zinc/12/66/73/1039126673.db2.gz OGZNSUCCKSVPOJ-AWEZNQCLSA-N 0 3 310.397 3.735 20 30 DHEDHN Cc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1C#N ZINC000599418711 1039150169 /nfs/dbraw/zinc/15/01/69/1039150169.db2.gz NOFFQJMAGKVPHZ-SFHVURJKSA-N 0 3 314.816 3.733 20 30 DHEDHN Cc1ccc(CN[C@@H](c2cccs2)C(C)(C)CO)cc1C#N ZINC000599421729 1039150353 /nfs/dbraw/zinc/15/03/53/1039150353.db2.gz PAKHTCVDKKEWJU-KRWDZBQOSA-N 0 3 314.454 3.778 20 30 DHEDHN COc1cccc(C[C@H]2CCCN2Cc2ccc(C#N)cc2F)c1 ZINC000603867997 1039203626 /nfs/dbraw/zinc/20/36/26/1039203626.db2.gz IDSZKXWGBVOLRL-GOSISDBHSA-N 0 3 324.399 3.913 20 30 DHEDHN COc1ccc([C@H]2CCN(Cc3ccc(C#N)cc3)C2)cc1F ZINC000599675938 1039255185 /nfs/dbraw/zinc/25/51/85/1039255185.db2.gz AHQHTSJPAIQQTI-KRWDZBQOSA-N 0 3 310.372 3.695 20 30 DHEDHN N#CCSCCCN1CCc2oc(-c3ccccc3)cc2C1 ZINC000593051184 1039378308 /nfs/dbraw/zinc/37/83/08/1039378308.db2.gz LMAPNWNKIZOVCN-UHFFFAOYSA-N 0 3 312.438 3.952 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000604501398 1039487148 /nfs/dbraw/zinc/48/71/48/1039487148.db2.gz GYKJUPOHXRPYNS-SFHVURJKSA-N 0 3 322.408 3.609 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(Cl)s2)cc1 ZINC000171563486 1039523459 /nfs/dbraw/zinc/52/34/59/1039523459.db2.gz JBIDOUPDSIHXCA-LLVKDONJSA-N 0 3 306.818 3.982 20 30 DHEDHN COc1ccc(C[C@@H](C)CNCC2(C#N)CCCC2)cc1F ZINC000593653268 1039579729 /nfs/dbraw/zinc/57/97/29/1039579729.db2.gz HEWYYQHMIXQDNB-CQSZACIVSA-N 0 3 304.409 3.686 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000594425217 1039790468 /nfs/dbraw/zinc/79/04/68/1039790468.db2.gz GJRGIRFMIBCHPW-LJQANCHMSA-N 0 3 319.408 3.608 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000594427967 1039793454 /nfs/dbraw/zinc/79/34/54/1039793454.db2.gz JZTCUJOGTDIMTA-SFHVURJKSA-N 0 3 322.412 3.780 20 30 DHEDHN CN(Cc1ccc(C#N)cn1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000593952247 1039797136 /nfs/dbraw/zinc/79/71/36/1039797136.db2.gz UIEBJOMFAHNNQM-UYAOXDASSA-N 0 3 321.424 3.553 20 30 DHEDHN COC(=O)c1ccc2c(c1)[C@H](NCc1cccc(C#N)c1)CCC2 ZINC000594493364 1039798926 /nfs/dbraw/zinc/79/89/26/1039798926.db2.gz FULBQEVGVFVHLI-LJQANCHMSA-N 0 3 320.392 3.512 20 30 DHEDHN C[C@@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccc(C#N)cc1 ZINC000594915025 1039923515 /nfs/dbraw/zinc/92/35/15/1039923515.db2.gz OOKYRJGSDOPQFK-QRWLVFNGSA-N 0 3 322.408 3.577 20 30 DHEDHN C=CCCSCCNCc1cccc(F)c1OC(F)F ZINC000594969718 1039949033 /nfs/dbraw/zinc/94/90/33/1039949033.db2.gz ZAKCBQWDFPKVLW-UHFFFAOYSA-N 0 3 305.365 3.826 20 30 DHEDHN N#Cc1ccc(C2(NCc3ccc(F)c(C#N)c3)CCC2)cc1 ZINC000594030962 1039959425 /nfs/dbraw/zinc/95/94/25/1039959425.db2.gz BJAOWKJOJLVZEW-UHFFFAOYSA-N 0 3 305.356 3.738 20 30 DHEDHN C=CCCSCCNCc1nc2cc(Cl)ccc2n1C ZINC000594960360 1039965582 /nfs/dbraw/zinc/96/55/82/1039965582.db2.gz OWEPXNXPVFGRMU-UHFFFAOYSA-N 0 3 309.866 3.626 20 30 DHEDHN COCc1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594032876 1039970351 /nfs/dbraw/zinc/97/03/51/1039970351.db2.gz BVVWOHOYQTYVFZ-UHFFFAOYSA-N 0 3 306.409 3.874 20 30 DHEDHN C=CCCCCCN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000606815945 1039986415 /nfs/dbraw/zinc/98/64/15/1039986415.db2.gz IIZZFBDVGWHAIM-IBGZPJMESA-N 0 3 314.473 3.856 20 30 DHEDHN Cc1cccc2c1CCC[C@@H]2NCc1cnc2ccc(C#N)cn12 ZINC000595000807 1040014337 /nfs/dbraw/zinc/01/43/37/1040014337.db2.gz NFDKBMMQXLAWTN-IBGZPJMESA-N 0 3 316.408 3.682 20 30 DHEDHN C[C@H](O)[C@@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000595005672 1040018274 /nfs/dbraw/zinc/01/82/74/1040018274.db2.gz CNQRACQVEMRYDK-OXJNMPFZSA-N 0 3 324.424 3.581 20 30 DHEDHN C=CCCSCCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000595059871 1040025971 /nfs/dbraw/zinc/02/59/71/1040025971.db2.gz QSGMVQIJJROQAV-HNNXBMFYSA-N 0 3 301.402 3.551 20 30 DHEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000595050629 1040049937 /nfs/dbraw/zinc/04/99/37/1040049937.db2.gz SSXXENDULZOPRR-XQQFMLRXSA-N 0 3 308.447 3.715 20 30 DHEDHN C[C@@H](NC[C@H]1CCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000595104722 1040065628 /nfs/dbraw/zinc/06/56/28/1040065628.db2.gz SMCZWSJHRPTUEP-CRAIPNDOSA-N 0 3 323.415 3.622 20 30 DHEDHN C[C@@H](NC[C@@H]1C[C@H](c2ccccc2)CO1)c1ccc(C#N)cc1F ZINC000595079322 1040073152 /nfs/dbraw/zinc/07/31/52/1040073152.db2.gz WFFHIPFWLBJMBI-JLSDUUJJSA-N 0 3 324.399 3.921 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2ccc(O)cc21 ZINC000595093231 1040079801 /nfs/dbraw/zinc/07/98/01/1040079801.db2.gz YXORMTSPIMNKDF-UXHICEINSA-N 0 3 304.393 3.918 20 30 DHEDHN CC(C)[C@H](O)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000595097392 1040081856 /nfs/dbraw/zinc/08/18/56/1040081856.db2.gz VFBPEIMWCPTJRG-YSSFQJQWSA-N 0 3 308.425 3.967 20 30 DHEDHN C=CC[C@@H]1CCCC[C@H]1NCc1csc(C(=O)OCC)n1 ZINC000595605098 1040204976 /nfs/dbraw/zinc/20/49/76/1040204976.db2.gz VHPBWJBCQWQHOJ-TZMCWYRMSA-N 0 3 308.447 3.544 20 30 DHEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000063619330 1040404549 /nfs/dbraw/zinc/40/45/49/1040404549.db2.gz KDXKQUKPTXBKPP-IBGZPJMESA-N 0 3 312.457 3.641 20 30 DHEDHN CC1(C)Cc2n[nH]cc2CN(CCC2(C#N)CCCCC2)C1 ZINC000596597614 1040507926 /nfs/dbraw/zinc/50/79/26/1040507926.db2.gz UXFSLUBFRLAZDR-UHFFFAOYSA-N 0 3 300.450 3.658 20 30 DHEDHN N#CC1(c2ccc(CN3CCC[C@H]3c3cccnc3)cc2)CC1 ZINC000597127202 1040657086 /nfs/dbraw/zinc/65/70/86/1040657086.db2.gz NJPDMGUXIKNPNA-IBGZPJMESA-N 0 3 303.409 3.974 20 30 DHEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccccc1Cl ZINC000060464401 1040661397 /nfs/dbraw/zinc/66/13/97/1040661397.db2.gz MUNWYSHLETYBFD-CYBMUJFWSA-N 0 3 300.789 3.941 20 30 DHEDHN N#CC1(c2ccc(CN3CCC[C@@H]3c3ccncc3)cc2)CC1 ZINC000597127638 1040665062 /nfs/dbraw/zinc/66/50/62/1040665062.db2.gz PMSFBBPANQADOD-LJQANCHMSA-N 0 3 303.409 3.974 20 30 DHEDHN COCC1(C2CCC2)CN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000597195122 1040676176 /nfs/dbraw/zinc/67/61/76/1040676176.db2.gz CXVMVWABNBPNSD-UHFFFAOYSA-N 0 3 312.457 3.736 20 30 DHEDHN Cc1ccc(NC(=O)CC2(C#N)CCCCC2)c(CN(C)C)c1 ZINC000597233497 1040697582 /nfs/dbraw/zinc/69/75/82/1040697582.db2.gz IUIAOBJKEZAVEL-UHFFFAOYSA-N 0 3 313.445 3.859 20 30 DHEDHN COc1ccc(Cl)cc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602527359 1041085400 /nfs/dbraw/zinc/08/54/00/1041085400.db2.gz KVIWNLKDZMMMLJ-ZDUSSCGKSA-N 0 3 322.836 3.537 20 30 DHEDHN CC(C)c1cc(Cl)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000602560138 1041096748 /nfs/dbraw/zinc/09/67/48/1041096748.db2.gz BWTJKGLDLHFBFI-AWEZNQCLSA-N 0 3 307.825 3.813 20 30 DHEDHN Cc1cc(-c2noc([C@H](C)NC[C@H](C)CCC#N)n2)ccc1F ZINC000602641569 1041127594 /nfs/dbraw/zinc/12/75/94/1041127594.db2.gz GEKZICKAOIXVDG-YPMHNXCESA-N 0 3 316.380 3.775 20 30 DHEDHN N#Cc1cccc(CNC2CC(F)(c3cccc(Cl)c3)C2)n1 ZINC000602641804 1041128874 /nfs/dbraw/zinc/12/88/74/1041128874.db2.gz DWNOHQBTMUPFPK-UHFFFAOYSA-N 0 3 315.779 3.724 20 30 DHEDHN N#Cc1cccc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000602659935 1041144254 /nfs/dbraw/zinc/14/42/54/1041144254.db2.gz YVYVRGMTXLQASM-PDFPEKILSA-N 0 3 303.409 3.864 20 30 DHEDHN C[C@@H](CCC#N)CN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000602719543 1041175238 /nfs/dbraw/zinc/17/52/38/1041175238.db2.gz YADCFKXZBBOUAA-GWCFXTLKSA-N 0 3 301.217 3.556 20 30 DHEDHN N#CC1CCC(N[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000602717931 1041175714 /nfs/dbraw/zinc/17/57/14/1041175714.db2.gz KXKIUKCQFZAUNN-QIMFLAQGSA-N 0 3 313.228 3.699 20 30 DHEDHN C[C@@H]1Cc2ccccc2N1C1CCN(CC2(CC#N)CC2)CC1 ZINC000602790788 1041243911 /nfs/dbraw/zinc/24/39/11/1041243911.db2.gz KAUSMQZRXNQXHF-MRXNPFEDSA-N 0 3 309.457 3.596 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cccc2c1CCOC2 ZINC000602848688 1041261046 /nfs/dbraw/zinc/26/10/46/1041261046.db2.gz XELCGJLSPRBBAD-HNNXBMFYSA-N 0 3 306.409 3.824 20 30 DHEDHN N#CCC1(CN2CCC(c3ccc4cccnc4n3)CC2)CC1 ZINC000602874921 1041282546 /nfs/dbraw/zinc/28/25/46/1041282546.db2.gz VLTDWYIUFXGOPN-UHFFFAOYSA-N 0 3 306.413 3.503 20 30 DHEDHN CC(C)(C)c1ccc2c(c1)CN(C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598600910 1041344636 /nfs/dbraw/zinc/34/46/36/1041344636.db2.gz CBCZGMFNGSBGNS-GOSISDBHSA-N 0 3 314.473 3.643 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc(CCC)cc1)C(C)C ZINC000096966516 185394241 /nfs/dbraw/zinc/39/42/41/185394241.db2.gz TWBKBSYYKGLZQP-YJBOKZPZSA-N 0 3 302.462 3.617 20 30 DHEDHN C=CCSCCN[C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000180457161 334950163 /nfs/dbraw/zinc/95/01/63/334950163.db2.gz RNZRZYCDZKJHGD-NSHDSACASA-N 0 3 317.401 3.866 20 30 DHEDHN O[C@@H](C[C@@H]1CCCN1CC#Cc1ccccc1)c1cccs1 ZINC000192062367 335023141 /nfs/dbraw/zinc/02/31/41/335023141.db2.gz RBXCPJSMMTWPGD-ROUUACIJSA-N 0 3 311.450 3.688 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000442708625 335034763 /nfs/dbraw/zinc/03/47/63/335034763.db2.gz JXKQRXFSWDIZOE-XJKSGUPXSA-N 0 3 311.360 3.795 20 30 DHEDHN C[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000192621632 335036692 /nfs/dbraw/zinc/03/66/92/335036692.db2.gz JDKSGVYBXPJGKG-BLLLJJGKSA-N 0 3 319.836 3.661 20 30 DHEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000192621587 335036750 /nfs/dbraw/zinc/03/67/50/335036750.db2.gz JDKSGVYBXPJGKG-WBMJQRKESA-N 0 3 319.836 3.661 20 30 DHEDHN N#C[C@H]1CC[C@H](NCc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000442718333 335049191 /nfs/dbraw/zinc/04/91/91/335049191.db2.gz LLECBTPBZLEVQF-YJBOKZPZSA-N 0 3 319.408 3.721 20 30 DHEDHN CC(=O)Nc1ccn([C@H]2CCN([C@H](C)c3cccc(C)c3)C2)n1 ZINC000328621212 257264130 /nfs/dbraw/zinc/26/41/30/257264130.db2.gz HORRBARQLKWSJD-PBHICJAKSA-N 0 3 312.417 3.807 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(NC(=O)[C@H](C)CC)c2)cc1 ZINC000289319249 335061427 /nfs/dbraw/zinc/06/14/27/335061427.db2.gz SVDOYMBKTRLHFF-MRXNPFEDSA-N 0 3 320.436 3.942 20 30 DHEDHN CCC(CC)[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000272244306 130012443 /nfs/dbraw/zinc/01/24/43/130012443.db2.gz HHUGHVJCQMLJRO-WMZOPIPTSA-N 0 3 304.409 3.771 20 30 DHEDHN CCC(CC)[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000272244303 130012565 /nfs/dbraw/zinc/01/25/65/130012565.db2.gz HHUGHVJCQMLJRO-SJLPKXTDSA-N 0 3 304.409 3.771 20 30 DHEDHN C[C@H](NCC[C@@](C)(O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000275125697 130293360 /nfs/dbraw/zinc/29/33/60/130293360.db2.gz MIJKQSOSODROOV-IFXJQAMLSA-N 0 3 312.388 3.646 20 30 DHEDHN C[C@@H](N[C@@H](CCO)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000286893898 131253871 /nfs/dbraw/zinc/25/38/71/131253871.db2.gz DEEOLPWUWNJALW-ACJLOTCBSA-N 0 3 314.816 3.986 20 30 DHEDHN C[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H](c1ccccc1)N(C)C ZINC000287932021 131306220 /nfs/dbraw/zinc/30/62/20/131306220.db2.gz XHMWJKHPLWNOMI-GWCFXTLKSA-N 0 3 320.849 3.771 20 30 DHEDHN CC[C@H](COCC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1 ZINC000297433172 132015065 /nfs/dbraw/zinc/01/50/65/132015065.db2.gz VLZNYMSMIIMXBG-SMDDNHRTSA-N 0 3 300.324 3.566 20 30 DHEDHN CC[C@@H](COCC(F)(F)F)N[C@H](C)c1cccc(C#N)c1 ZINC000297473708 132017673 /nfs/dbraw/zinc/01/76/73/132017673.db2.gz YTZPGADGSVHGOF-RISCZKNCSA-N 0 3 300.324 3.566 20 30 DHEDHN Cc1ccc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)nc1C#N ZINC000527288540 435011344 /nfs/dbraw/zinc/01/13/44/435011344.db2.gz QWUSTWVEKLHQLO-INIZCTEOSA-N 0 3 314.820 3.630 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cn1)C1(c2ccccc2)CCCC1 ZINC000570720415 332806862 /nfs/dbraw/zinc/80/68/62/332806862.db2.gz HYLMKLLQVWNOPE-INIZCTEOSA-N 0 3 305.425 3.943 20 30 DHEDHN C=CC[C@@H](C(=O)NCc1ccccc1CN(C)C)c1ccccc1 ZINC000187487554 331518607 /nfs/dbraw/zinc/51/86/07/331518607.db2.gz ZTTPZMASNRZGGN-HXUWFJFHSA-N 0 3 322.452 3.724 20 30 DHEDHN C=C1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000533417805 331524406 /nfs/dbraw/zinc/52/44/06/331524406.db2.gz VCJWKVYEYIULEW-UHFFFAOYSA-N 0 3 313.228 3.974 20 30 DHEDHN C=CCSCCNCc1c(C)nc2scc(C3CC3)n12 ZINC000298345410 331646738 /nfs/dbraw/zinc/64/67/38/331646738.db2.gz JNXCFAWHQDDRMW-UHFFFAOYSA-N 0 3 307.488 3.590 20 30 DHEDHN C=C(CNCc1cc(OC)c(OC)c(OC)c1)c1ccccc1 ZINC000299337730 331686794 /nfs/dbraw/zinc/68/67/94/331686794.db2.gz NBRWKUXXNNDXPO-UHFFFAOYSA-N 0 3 313.397 3.515 20 30 DHEDHN Cc1ccc([C@@H](NCc2cnc3ccc(C#N)cn23)C2CC2)cc1 ZINC000556596705 331718808 /nfs/dbraw/zinc/71/88/08/331718808.db2.gz QNBGRPFNCCXFDN-HXUWFJFHSA-N 0 3 316.408 3.755 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000073052588 331934494 /nfs/dbraw/zinc/93/44/94/331934494.db2.gz GOQZFKRPDGCDAS-HXUWFJFHSA-N 0 3 305.425 3.814 20 30 DHEDHN CC#CCN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000518408583 332027974 /nfs/dbraw/zinc/02/79/74/332027974.db2.gz URKWJJNLVXZGPD-MRXNPFEDSA-N 0 3 311.347 3.786 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](NCCOc1ccc(Cl)cc1)CC2 ZINC000569413403 332077445 /nfs/dbraw/zinc/07/74/45/332077445.db2.gz DOGBMTBBXDAQJY-SFHVURJKSA-N 0 3 312.800 3.868 20 30 DHEDHN C=CCN1CC[C@H](N(CCCC)[C@@H](C)c2ccccc2)C1=O ZINC000410340027 332113270 /nfs/dbraw/zinc/11/32/70/332113270.db2.gz VXCWAMWEJZJBCJ-WMZOPIPTSA-N 0 3 300.446 3.637 20 30 DHEDHN CCOc1ccccc1OCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000132239077 332114158 /nfs/dbraw/zinc/11/41/58/332114158.db2.gz NLAUWEPOTPTOBI-HNNXBMFYSA-N 0 3 310.397 3.687 20 30 DHEDHN C[C@@H](O)CN(CC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000427013643 332164704 /nfs/dbraw/zinc/16/47/04/332164704.db2.gz BZWLDVIOANSKKI-OAHLLOKOSA-N 0 3 305.849 3.707 20 30 DHEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CN1C1CC1 ZINC000317815577 332200355 /nfs/dbraw/zinc/20/03/55/332200355.db2.gz YGIZZFJPZVTPJJ-PWSUYJOCSA-N 0 3 309.335 3.614 20 30 DHEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Br)cn1 ZINC000560351617 332333044 /nfs/dbraw/zinc/33/30/44/332333044.db2.gz PYWWAESJDTVQED-GVXVVHGQSA-N 0 3 308.223 3.577 20 30 DHEDHN C=CCC[C@@H](NC[C@@H](O)COc1cccc(C)c1)c1ccco1 ZINC000560531491 332353485 /nfs/dbraw/zinc/35/34/85/332353485.db2.gz ZJEVGEVMOKKIJF-SJLPKXTDSA-N 0 3 315.413 3.625 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000119371819 332370515 /nfs/dbraw/zinc/37/05/15/332370515.db2.gz DIUQZEAUAHAGDK-SFHVURJKSA-N 0 3 309.413 3.797 20 30 DHEDHN Cc1ccccc1OCCNCc1cccc(OCCCC#N)c1 ZINC000237566463 332376095 /nfs/dbraw/zinc/37/60/95/332376095.db2.gz IAGFUGAVIDDILO-UHFFFAOYSA-N 0 3 324.424 3.846 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000237579753 332377075 /nfs/dbraw/zinc/37/70/75/332377075.db2.gz LRKDMCGFJNDCCH-RHSMWYFYSA-N 0 3 314.454 3.599 20 30 DHEDHN COc1ccc(CNCc2ccccc2C)cc1OCCCC#N ZINC000119989620 332380537 /nfs/dbraw/zinc/38/05/37/332380537.db2.gz VFYLBLWFXBLWIE-UHFFFAOYSA-N 0 3 324.424 3.976 20 30 DHEDHN Cc1ccc2c(CCNCc3ccc(C#N)cc3F)c[nH]c2c1 ZINC000525876950 335103814 /nfs/dbraw/zinc/10/38/14/335103814.db2.gz PZIJTCIVZUOKJS-UHFFFAOYSA-N 0 3 307.372 3.819 20 30 DHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)Oc1ccc(F)cc1 ZINC000561768767 332494681 /nfs/dbraw/zinc/49/46/81/332494681.db2.gz YXPBZDFCZQURHD-OLZOCXBDSA-N 0 3 316.351 3.955 20 30 DHEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccccc1-n1cccn1 ZINC000151816947 332620539 /nfs/dbraw/zinc/62/05/39/332620539.db2.gz IARWKZRQKCJENZ-CYBMUJFWSA-N 0 3 308.410 3.656 20 30 DHEDHN CC[C@]1(CNCc2cccc(C#N)c2)OCCc2ccccc21 ZINC000569859422 332687375 /nfs/dbraw/zinc/68/73/75/332687375.db2.gz FSGBASDFFNUKAZ-HXUWFJFHSA-N 0 3 306.409 3.526 20 30 DHEDHN C[C@H](NC[C@@H]1CSc2ccccc2O1)c1cccc(C#N)c1 ZINC000570043112 332706046 /nfs/dbraw/zinc/70/60/46/332706046.db2.gz HHIFEXRXTQCMGU-XJKSGUPXSA-N 0 3 310.422 3.762 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)OCCCCO2)c1ccc(C#N)cc1 ZINC000580281160 333054989 /nfs/dbraw/zinc/05/49/89/333054989.db2.gz YGARJAMFNBUPQG-OAHLLOKOSA-N 0 3 322.408 3.960 20 30 DHEDHN CC(C)N(CCCC(C)(C)C#N)CC(=O)Nc1ccc(F)cc1 ZINC000174846692 333091864 /nfs/dbraw/zinc/09/18/64/333091864.db2.gz DFJRKWDSFOJEEX-UHFFFAOYSA-N 0 3 319.424 3.805 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000187950065 333154503 /nfs/dbraw/zinc/15/45/03/333154503.db2.gz HXMAGGVZAKCJTF-PXNSSMCTSA-N 0 3 314.473 3.712 20 30 DHEDHN CC1(C)Cc2occc2[C@H](NCc2ccc(OCC#N)cc2)C1 ZINC000180556910 333163127 /nfs/dbraw/zinc/16/31/27/333163127.db2.gz LCAOCBYAUJVISX-QGZVFWFLSA-N 0 3 310.397 3.985 20 30 DHEDHN COc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccc1C ZINC000181609721 333170733 /nfs/dbraw/zinc/17/07/33/333170733.db2.gz FVSBLSIMOJGUID-HNNXBMFYSA-N 0 3 310.397 3.757 20 30 DHEDHN CC[C@@H](C)C(=O)Nc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185791680 333214176 /nfs/dbraw/zinc/21/41/76/333214176.db2.gz AATGNAZLZBXAGO-HLLBOEOZSA-N 0 3 313.445 3.843 20 30 DHEDHN CC(C)OC(=O)c1ccc(CN2CCC(CCC#N)CC2)cc1 ZINC000563065963 333256828 /nfs/dbraw/zinc/25/68/28/333256828.db2.gz FPTZOJISJIORLS-UHFFFAOYSA-N 0 3 314.429 3.768 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2cc(F)cc(Br)c2)C1 ZINC000192709647 333291830 /nfs/dbraw/zinc/29/18/30/333291830.db2.gz XPKXELMQKHQBLT-YGRLFVJLSA-N 0 3 311.198 3.760 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000192879270 333294729 /nfs/dbraw/zinc/29/47/29/333294729.db2.gz RPHWOHQHUAIWIV-VQISRLSMSA-N 0 3 313.228 3.699 20 30 DHEDHN COc1ccccc1[C@H](CN[C@H]1CCC[C@H](C#N)C1)OC(C)C ZINC000193299226 333301191 /nfs/dbraw/zinc/30/11/91/333301191.db2.gz DXXBSLPFLRJLMD-BXWFABGCSA-N 0 3 316.445 3.833 20 30 DHEDHN C=CCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000364380674 333303369 /nfs/dbraw/zinc/30/33/69/333303369.db2.gz SXMSMEXSUANZME-MJGOQNOKSA-N 0 3 314.473 3.712 20 30 DHEDHN N#Cc1ccc(CN(C[C@H](O)CCc2ccccc2)C2CC2)cc1 ZINC000182275157 333354925 /nfs/dbraw/zinc/35/49/25/333354925.db2.gz FSTLAGUCFPCGON-OAQYLSRUSA-N 0 3 320.436 3.516 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000188471602 333367826 /nfs/dbraw/zinc/36/78/26/333367826.db2.gz MJCPWTXLHDZCGS-XLIONFOSSA-N 0 3 314.473 3.712 20 30 DHEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@H]3CCCC[C@H]32)c1 ZINC000319693125 333397333 /nfs/dbraw/zinc/39/73/33/333397333.db2.gz LJBVUZJINIDIPZ-SJLPKXTDSA-N 0 3 311.429 3.541 20 30 DHEDHN N#Cc1ccc(CN[C@@H](Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000563210586 333469315 /nfs/dbraw/zinc/46/93/15/333469315.db2.gz GDTHQTXTSGNDDU-SFHVURJKSA-N 0 3 321.380 3.577 20 30 DHEDHN CCCN(CCC)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000411170396 333639720 /nfs/dbraw/zinc/63/97/20/333639720.db2.gz WZUBIFMRVYFHEO-OAHLLOKOSA-N 0 3 319.424 3.583 20 30 DHEDHN COc1ccc(C[C@H](C)N[C@@H](CCC#N)c2ccccc2)cn1 ZINC000414104203 333896900 /nfs/dbraw/zinc/89/69/00/333896900.db2.gz OEZBVAPCSHEWGJ-YJBOKZPZSA-N 0 3 309.413 3.656 20 30 DHEDHN C=C(C)COc1cc(CN[C@@H]2CS[C@H](C)C2)ccc1OC ZINC000414506856 334001048 /nfs/dbraw/zinc/00/10/48/334001048.db2.gz XOZTURRZBPFYBJ-HIFRSBDPSA-N 0 3 307.459 3.634 20 30 DHEDHN C=CCOc1ccc(CN2CC3(CCOCC3)[C@@H]2C(C)C)cc1 ZINC000414534628 334010947 /nfs/dbraw/zinc/01/09/47/334010947.db2.gz VHVXFYVFPCJHNC-IBGZPJMESA-N 0 3 315.457 3.888 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000271432590 334023375 /nfs/dbraw/zinc/02/33/75/334023375.db2.gz BENRFEIIYSQZLL-QPIRBTGLSA-N 0 3 320.440 3.781 20 30 DHEDHN CC(C)(NCc1ccc(OCC#N)cc1)c1ccc(F)c(F)c1 ZINC000271747031 334026191 /nfs/dbraw/zinc/02/61/91/334026191.db2.gz XRKCXWJQLFVTMI-UHFFFAOYSA-N 0 3 316.351 3.892 20 30 DHEDHN Cc1cc(C)cc([C@H](O)CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271878825 334027980 /nfs/dbraw/zinc/02/79/80/334027980.db2.gz YJKRARJJMBIGAF-OXQOHEQNSA-N 0 3 324.424 3.590 20 30 DHEDHN COc1ccc(C(=O)C2CCN(CCC(C)(C)C#N)CC2)cc1 ZINC000271986686 334029447 /nfs/dbraw/zinc/02/94/47/334029447.db2.gz CSELJZSEZGLMDP-UHFFFAOYSA-N 0 3 314.429 3.530 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1C ZINC000272852397 334040357 /nfs/dbraw/zinc/04/03/57/334040357.db2.gz HXUREXKQNPYXLI-OAHLLOKOSA-N 0 3 310.397 3.757 20 30 DHEDHN N#CCCCN[C@@H]1CCCOc2ccc(Br)cc21 ZINC000273262224 334044765 /nfs/dbraw/zinc/04/47/65/334044765.db2.gz NARSPPCHTCQIQD-CYBMUJFWSA-N 0 3 309.207 3.556 20 30 DHEDHN CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000273449378 334046813 /nfs/dbraw/zinc/04/68/13/334046813.db2.gz OJKOPLQQZWNJRR-KRWDZBQOSA-N 0 3 319.449 3.658 20 30 DHEDHN COc1ccc(CN(C)CCCCC(C)(C)C#N)c(OC)c1 ZINC000277877818 334091547 /nfs/dbraw/zinc/09/15/47/334091547.db2.gz DZWLUKHGHVIGDE-UHFFFAOYSA-N 0 3 304.434 3.856 20 30 DHEDHN COC[C@H](NCCCCC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000278578160 334098265 /nfs/dbraw/zinc/09/82/65/334098265.db2.gz CMFXCQICSTUAGS-INIZCTEOSA-N 0 3 310.388 3.962 20 30 DHEDHN Cc1cnccc1OC1CCN(CCCC(C)(C)C#N)CC1 ZINC000278757576 334100979 /nfs/dbraw/zinc/10/09/79/334100979.db2.gz XOENURZXBKBDMH-UHFFFAOYSA-N 0 3 301.434 3.563 20 30 DHEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCCSCC#N ZINC000278950202 334104072 /nfs/dbraw/zinc/10/40/72/334104072.db2.gz OKPCCNXFLJUDJJ-HNNXBMFYSA-N 0 3 312.866 3.606 20 30 DHEDHN CN(CCC1CCCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279430841 334108747 /nfs/dbraw/zinc/10/87/47/334108747.db2.gz DLUBZTVRYKDKOH-IBGZPJMESA-N 0 3 323.440 3.669 20 30 DHEDHN CCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCCC1 ZINC000279960339 334113083 /nfs/dbraw/zinc/11/30/83/334113083.db2.gz ICXLZINLBNLSBD-GOSISDBHSA-N 0 3 323.440 3.717 20 30 DHEDHN CC(C)C[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280228155 334115675 /nfs/dbraw/zinc/11/56/75/334115675.db2.gz VYRMORAXNYLAOW-MOPGFXCFSA-N 0 3 323.440 3.525 20 30 DHEDHN C[C@@H](NCCCC(C)(C)C#N)c1ccc(Br)cn1 ZINC000280630266 334118792 /nfs/dbraw/zinc/11/87/92/334118792.db2.gz XJRTZYGYHOMOLI-LLVKDONJSA-N 0 3 310.239 3.825 20 30 DHEDHN N#CCOc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000280775957 334120254 /nfs/dbraw/zinc/12/02/54/334120254.db2.gz GKWQBFHLZMXWIT-LJQANCHMSA-N 0 3 307.397 3.615 20 30 DHEDHN CN(CCCC1(C#N)CCOCC1)Cc1ccccc1Cl ZINC000282041378 334130793 /nfs/dbraw/zinc/13/07/93/334130793.db2.gz QXLPLYTVWICEJP-UHFFFAOYSA-N 0 3 306.837 3.872 20 30 DHEDHN CN(C)C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000283453222 334140378 /nfs/dbraw/zinc/14/03/78/334140378.db2.gz URLBSUHJZAPXEC-XYPHTWIQSA-N 0 3 305.853 3.615 20 30 DHEDHN CCCCCCC[C@@H](C)CN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000283856932 334141647 /nfs/dbraw/zinc/14/16/47/334141647.db2.gz BLHMIMBMSZQEQG-WBVHZDCISA-N 0 3 315.465 3.875 20 30 DHEDHN Cn1cc([C@H](NCCCCC#N)c2ccc(F)c(Cl)c2)cn1 ZINC000366640759 334147056 /nfs/dbraw/zinc/14/70/56/334147056.db2.gz LLBJJTJBUXJADK-MRXNPFEDSA-N 0 3 320.799 3.585 20 30 DHEDHN COc1ccccc1O[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000286524743 334153574 /nfs/dbraw/zinc/15/35/74/334153574.db2.gz QXLQISDYAVRDJA-INIZCTEOSA-N 0 3 316.445 3.868 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000292141374 334184705 /nfs/dbraw/zinc/18/47/05/334184705.db2.gz MLXIOSLFTOZUJR-SFHVURJKSA-N 0 3 312.457 3.736 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC000293477748 334198316 /nfs/dbraw/zinc/19/83/16/334198316.db2.gz MECJAPVNUUKLGH-TZMCWYRMSA-N 0 3 306.356 3.500 20 30 DHEDHN CN(CCc1cccc(Br)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000293576435 334199133 /nfs/dbraw/zinc/19/91/33/334199133.db2.gz NJOQLHWJQJMKKJ-HIFRSBDPSA-N 0 3 307.235 3.616 20 30 DHEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(Br)cc2F)C1 ZINC000294962985 334215063 /nfs/dbraw/zinc/21/50/63/334215063.db2.gz FBELNBNPIZUGSU-GWCFXTLKSA-N 0 3 311.198 3.760 20 30 DHEDHN COCc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000341757793 334477744 /nfs/dbraw/zinc/47/77/44/334477744.db2.gz LEGMUSVUTWCDGI-FQEVSTJZSA-N 0 3 306.409 3.872 20 30 DHEDHN C=CCC[C@@H](NCC(=O)N(CC(C)C)C1CC1)c1ccccc1 ZINC000341924902 334492716 /nfs/dbraw/zinc/49/27/16/334492716.db2.gz GUIGILXMKHMQRR-LJQANCHMSA-N 0 3 314.473 3.931 20 30 DHEDHN N#Cc1ccc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)c(F)c1 ZINC000342415693 334534508 /nfs/dbraw/zinc/53/45/08/334534508.db2.gz KORKTZBWWOLNJC-MJGOQNOKSA-N 0 3 310.372 3.707 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2CC[C@@H](c3ccccc3)O2)c(F)c1 ZINC000342415689 334534637 /nfs/dbraw/zinc/53/46/37/334534637.db2.gz KORKTZBWWOLNJC-HKUYNNGSSA-N 0 3 310.372 3.707 20 30 DHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000415582101 334615709 /nfs/dbraw/zinc/61/57/09/334615709.db2.gz OLFRUOVXQLGUTH-LSDHHAIUSA-N 0 3 315.461 3.753 20 30 DHEDHN CC(C)(C)c1nc(CCNCc2cc(C#N)cs2)cs1 ZINC000153685752 334741061 /nfs/dbraw/zinc/74/10/61/334741061.db2.gz XWWCPIYYIOFAEQ-UHFFFAOYSA-N 0 3 305.472 3.706 20 30 DHEDHN CCCC(=O)Nc1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443985437 338465455 /nfs/dbraw/zinc/46/54/55/338465455.db2.gz UNADALHETAGKCQ-UHFFFAOYSA-N 0 3 321.424 3.895 20 30 DHEDHN C=C(CNCc1cnc(C)n1-c1ccccc1)c1ccccc1 ZINC000343822768 335195691 /nfs/dbraw/zinc/19/56/91/335195691.db2.gz ZWPMIGRNUKPSDV-UHFFFAOYSA-N 0 3 303.409 3.984 20 30 DHEDHN C[C@H](NC[C@]1(C)CCO[C@H]1C1CC1)c1ccc(C#N)cc1F ZINC000344130262 335220109 /nfs/dbraw/zinc/22/01/09/335220109.db2.gz LOZGEWHJGZRKNX-IGNZVWTISA-N 0 3 302.393 3.553 20 30 DHEDHN N#CCCCNCc1cc2ccccc2nc1N1CCCCC1 ZINC000344329981 335241245 /nfs/dbraw/zinc/24/12/45/335241245.db2.gz UILRNIJFEMDUBP-UHFFFAOYSA-N 0 3 308.429 3.618 20 30 DHEDHN N#Cc1ccc(CNC[C@H]2SCCc3ccccc32)c(F)c1 ZINC000344769905 335276274 /nfs/dbraw/zinc/27/62/74/335276274.db2.gz ITYRRHRRAFBHPJ-GOSISDBHSA-N 0 3 312.413 3.818 20 30 DHEDHN C=CCN(Cc1cn(-c2ccncc2)nc1C)Cc1ccccc1 ZINC000346142132 335380789 /nfs/dbraw/zinc/38/07/89/335380789.db2.gz ABQUQJPHWJCWAO-UHFFFAOYSA-N 0 3 318.424 3.764 20 30 DHEDHN C=C(C)CN1CCC(Nc2cncc(-c3ccccc3)n2)CC1 ZINC000346254537 335395111 /nfs/dbraw/zinc/39/51/11/335395111.db2.gz BKUSKKOOPJBMLL-UHFFFAOYSA-N 0 3 308.429 3.596 20 30 DHEDHN C=C(C)CN(CC)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000113624641 335760246 /nfs/dbraw/zinc/76/02/46/335760246.db2.gz NXRWHKDYEZFFHO-INIZCTEOSA-N 0 3 317.477 3.723 20 30 DHEDHN Cc1ccc(C#N)c(NC[C@H](c2ccc(Cl)cc2)N(C)C)n1 ZINC000536576424 335840601 /nfs/dbraw/zinc/84/06/01/335840601.db2.gz QWQKGKDYTNAFNR-MRXNPFEDSA-N 0 3 314.820 3.630 20 30 DHEDHN C=CCc1cc(CN2CCC(OC(C)C)CC2)cc(OC)c1O ZINC000536647151 335852148 /nfs/dbraw/zinc/85/21/48/335852148.db2.gz VJELSBFADQZPSE-UHFFFAOYSA-N 0 3 319.445 3.519 20 30 DHEDHN CCC(=O)Nc1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000583663807 336034967 /nfs/dbraw/zinc/03/49/67/336034967.db2.gz WRYPRMSBFLCIRC-LJQANCHMSA-N 0 3 319.408 3.684 20 30 DHEDHN Cc1cccc2oc(CCNC(=O)CN3[C@H](C)CC[C@H]3C)nc21 ZINC000329942331 336097651 /nfs/dbraw/zinc/09/76/51/336097651.db2.gz HEBSFUUVSIROSO-ZIAGYGMSSA-N 0 3 315.417 3.508 20 30 DHEDHN Cc1ccnc(-c2cccc(NC(=O)CN3[C@H](C)CC[C@@H]3C)c2)n1 ZINC000329964747 336100528 /nfs/dbraw/zinc/10/05/28/336100528.db2.gz UBFDFVVSSQUBMT-GASCZTMLSA-N 0 3 324.428 3.913 20 30 DHEDHN C[C@@H]1CCC[C@H](NCc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1C ZINC000332713721 336179914 /nfs/dbraw/zinc/17/99/14/336179914.db2.gz YQQCHJQBOVEULF-IOASZLSFSA-N 0 3 310.401 3.523 20 30 DHEDHN CC[C@@H](NCC#Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000352250977 336207028 /nfs/dbraw/zinc/20/70/28/336207028.db2.gz NKEQGQQVOXUMEE-GOSISDBHSA-N 0 3 309.409 3.796 20 30 DHEDHN CCN(Cc1ccc(C#N)o1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000352681726 336230050 /nfs/dbraw/zinc/23/00/50/336230050.db2.gz NEYCYKBLSXCBFV-SJLPKXTDSA-N 0 3 323.440 3.809 20 30 DHEDHN CN(CCOc1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000042267802 336238240 /nfs/dbraw/zinc/23/82/40/336238240.db2.gz LSVUYPSWALMVHH-UHFFFAOYSA-N 0 3 300.789 3.722 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@@H](C)c1ccccc1 ZINC000532518261 336253496 /nfs/dbraw/zinc/25/34/96/336253496.db2.gz YJGRQMOKHOKPTP-IAGOWNOFSA-N 0 3 302.462 3.535 20 30 DHEDHN CC[C@@H](CNCc1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000532569895 336256025 /nfs/dbraw/zinc/25/60/25/336256025.db2.gz WZECDYKEVJZBPM-INIZCTEOSA-N 0 3 316.351 3.784 20 30 DHEDHN COc1ccccc1[C@@H](CNc1ccc(C#N)cc1)N1CCCC1 ZINC000301056404 336287490 /nfs/dbraw/zinc/28/74/90/336287490.db2.gz BAHGQFCWCVKUAE-LJQANCHMSA-N 0 3 321.424 3.816 20 30 DHEDHN CN(C)[C@H](CNc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000301169422 336293077 /nfs/dbraw/zinc/29/30/77/336293077.db2.gz WPGQXSBXGVWFHA-QGZVFWFLSA-N 0 3 301.340 3.551 20 30 DHEDHN N#Cc1c(F)cccc1N[C@H](CN1CCCC1)c1ccccc1 ZINC000301261726 336297482 /nfs/dbraw/zinc/29/74/82/336297482.db2.gz LOEUBWCCYAJEPQ-LJQANCHMSA-N 0 3 309.388 3.946 20 30 DHEDHN C=CCN1CCC(Nc2ccnc3ccc(Cl)cc32)CC1 ZINC000301399158 336304387 /nfs/dbraw/zinc/30/43/87/336304387.db2.gz OXDVOXJRWYLDSE-UHFFFAOYSA-N 0 3 301.821 3.951 20 30 DHEDHN CN1CCC[C@H](CNc2ccc(C#N)nc2)[C@H]1c1cccs1 ZINC000301584337 336316561 /nfs/dbraw/zinc/31/65/61/336316561.db2.gz VPXPSYLXLODORG-DYVFJYSZSA-N 0 3 312.442 3.510 20 30 DHEDHN CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCCN2CC(C)C)c1 ZINC000302113458 336349191 /nfs/dbraw/zinc/34/91/91/336349191.db2.gz BKAHJOQTVADURS-SFHVURJKSA-N 0 3 313.445 3.683 20 30 DHEDHN CCCCN1CCCC[C@H]1CNc1cc(C(C)=O)ccc1C#N ZINC000302117982 336349296 /nfs/dbraw/zinc/34/92/96/336349296.db2.gz SFJOQPNWHDFPBI-SFHVURJKSA-N 0 3 313.445 3.827 20 30 DHEDHN Cc1ccc([C@H](CNc2ccc(C)c(C#N)n2)N2CCCC2)cc1 ZINC000302669086 336364148 /nfs/dbraw/zinc/36/41/48/336364148.db2.gz QUNDNWAIOLBADT-IBGZPJMESA-N 0 3 320.440 3.819 20 30 DHEDHN CN(CCSc1c(C#N)cccc1C#N)Cc1ccccc1 ZINC000302870891 336372729 /nfs/dbraw/zinc/37/27/29/336372729.db2.gz YSHXBBWQUPCMEL-UHFFFAOYSA-N 0 3 307.422 3.654 20 30 DHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCO[C@H](C)C1 ZINC000352901258 336375447 /nfs/dbraw/zinc/37/54/47/336375447.db2.gz JDEWNLZESCIYAJ-SJORKVTESA-N 0 3 305.466 3.657 20 30 DHEDHN CC/C=C\CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353027987 336380540 /nfs/dbraw/zinc/38/05/40/336380540.db2.gz YSYPOAJTOCVWGH-ARJAWSKDSA-N 0 3 302.393 3.897 20 30 DHEDHN C[C@H](NCCC[C@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1F ZINC000305815514 336397186 /nfs/dbraw/zinc/39/71/86/336397186.db2.gz LZUYNEUYIFBAAU-JOQOYGCGSA-N 0 3 304.409 3.679 20 30 DHEDHN CN(C)CCOc1cccc(N[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353653386 336432014 /nfs/dbraw/zinc/43/20/14/336432014.db2.gz BTQZKVJLMPPNIW-FQEVSTJZSA-N 0 3 321.424 3.598 20 30 DHEDHN C[C@H](NCC1(c2ccccn2)CCC1)c1ccc(C#N)c(F)c1 ZINC000353957797 336451198 /nfs/dbraw/zinc/45/11/98/336451198.db2.gz RJBYYXMVLLNBPJ-AWEZNQCLSA-N 0 3 309.388 3.865 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000354019379 336454370 /nfs/dbraw/zinc/45/43/70/336454370.db2.gz XUJDHZAINPAGSY-HCKVZZMMSA-N 0 3 313.228 3.699 20 30 DHEDHN C[C@H](N[C@@H]1CCCC[C@@H]1n1cccn1)c1ccc(C#N)cc1F ZINC000358565659 336634783 /nfs/dbraw/zinc/63/47/83/336634783.db2.gz ADTPWOXNOPLTHR-VHSSKADRSA-N 0 3 312.392 3.728 20 30 DHEDHN C=C(C)COCCN[C@H]1CCc2ccc(Br)cc21 ZINC000193163708 336636786 /nfs/dbraw/zinc/63/67/86/336636786.db2.gz OESXNGSLERPCDS-HNNXBMFYSA-N 0 3 310.235 3.619 20 30 DHEDHN COc1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)ccn1 ZINC000360656164 336717562 /nfs/dbraw/zinc/71/75/62/336717562.db2.gz GJJBSZKXZMVZFS-SFHVURJKSA-N 0 3 307.397 3.519 20 30 DHEDHN Cc1c([C@@H](C)N[C@H]2CCCCc3cc(C#N)ccc32)cnn1C ZINC000360839689 336724051 /nfs/dbraw/zinc/72/40/51/336724051.db2.gz YPYQWWORLJAVHI-YJYMSZOUSA-N 0 3 308.429 3.719 20 30 DHEDHN C[C@H](N[C@H](c1ccccc1)[C@H]1CCOC1)c1cccc(C#N)c1 ZINC000362043896 336783239 /nfs/dbraw/zinc/78/32/39/336783239.db2.gz YBPXUIIUTPNQBK-RYGJVYDSSA-N 0 3 306.409 3.987 20 30 DHEDHN N#CCCn1cc(CN2CC3(C2)CCCC3)c(-c2ccccc2)n1 ZINC000362325880 336792360 /nfs/dbraw/zinc/79/23/60/336792360.db2.gz VERXSXLSEQBFHB-UHFFFAOYSA-N 0 3 320.440 3.840 20 30 DHEDHN Cc1nnc([C@@H]2CC23CCN([C@@H](C)c2ccc(C#N)cc2)CC3)o1 ZINC000369448720 336864778 /nfs/dbraw/zinc/86/47/78/336864778.db2.gz VPEYYCPXDUYMCS-GUYCJALGSA-N 0 3 322.412 3.580 20 30 DHEDHN N#Cc1ccc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000369535896 336866701 /nfs/dbraw/zinc/86/67/01/336866701.db2.gz CWUPLAMWNFUXPY-UHFFFAOYSA-N 0 3 323.362 3.775 20 30 DHEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2NCc2c(F)cccc2Cl)O1 ZINC000369846445 336873020 /nfs/dbraw/zinc/87/30/20/336873020.db2.gz MXKXXMYXBMAYET-YQPCPPDFSA-N 0 3 322.811 3.809 20 30 DHEDHN N#CC1(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000418143300 336896627 /nfs/dbraw/zinc/89/66/27/336896627.db2.gz PBLOGTDOVRTLLM-ZBFHGGJFSA-N 0 3 313.401 3.589 20 30 DHEDHN COc1cc(C)c(CN[C@@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000418149464 336898015 /nfs/dbraw/zinc/89/80/15/336898015.db2.gz VAMCTGXZDWVEKG-LJQANCHMSA-N 0 3 321.424 3.746 20 30 DHEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@@H]1CCCc2cccnc21 ZINC000376002118 337025037 /nfs/dbraw/zinc/02/50/37/337025037.db2.gz YCMWXQVVDDNTJJ-GOSISDBHSA-N 0 3 321.424 3.861 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN(C)[C@H]2CCCc3cccnc32)cc1 ZINC000377246818 337049390 /nfs/dbraw/zinc/04/93/90/337049390.db2.gz WRGKWHUGLLMNCT-KXBFYZLASA-N 0 3 321.424 3.882 20 30 DHEDHN Cc1cccc2c1OC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)C2 ZINC000377737795 337059954 /nfs/dbraw/zinc/05/99/54/337059954.db2.gz DICTUBMSTGHNGX-CRAIPNDOSA-N 0 3 322.408 3.552 20 30 DHEDHN Cn1cc(CN2C[C@@H]3CCCCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000378501883 337074523 /nfs/dbraw/zinc/07/45/23/337074523.db2.gz ZVIWCGZAAKKGSW-PKOBYXMFSA-N 0 3 320.440 3.723 20 30 DHEDHN Cn1cc(CN2C[C@H]3CCCCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000378501881 337074570 /nfs/dbraw/zinc/07/45/70/337074570.db2.gz ZVIWCGZAAKKGSW-IEBWSBKVSA-N 0 3 320.440 3.723 20 30 DHEDHN COCc1ccccc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000193894333 337079816 /nfs/dbraw/zinc/07/98/16/337079816.db2.gz YOUQVOXIFGYVIP-OAHLLOKOSA-N 0 3 310.397 3.586 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000171739346 337088648 /nfs/dbraw/zinc/08/86/48/337088648.db2.gz SBRHGGAXJGFEHA-UHFFFAOYSA-N 0 3 309.413 3.612 20 30 DHEDHN C=CCN1CCC(NC(=O)C[C@H](CC)c2ccc(C)cc2)CC1 ZINC000172349802 337091579 /nfs/dbraw/zinc/09/15/79/337091579.db2.gz YZYXZUKXCBRFHV-KRWDZBQOSA-N 0 3 314.473 3.645 20 30 DHEDHN Cc1cccc(CN(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000582633380 337116470 /nfs/dbraw/zinc/11/64/70/337116470.db2.gz PJEBOJTWIZZNSZ-UHFFFAOYSA-N 0 3 321.468 3.739 20 30 DHEDHN C=CCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000175731999 337147127 /nfs/dbraw/zinc/14/71/27/337147127.db2.gz SKVMTBAFCJNUAE-HKUYNNGSSA-N 0 3 314.473 3.854 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cc(C)sc1C ZINC000179373543 337167496 /nfs/dbraw/zinc/16/74/96/337167496.db2.gz GCSBUENZYPUUID-KGLIPLIRSA-N 0 3 306.475 3.605 20 30 DHEDHN C=CCC[C@H](CO)NCc1ccc(Br)cc1Cl ZINC000321069352 337193443 /nfs/dbraw/zinc/19/34/43/337193443.db2.gz ZPTZQCLADOCXLJ-GFCCVEGCSA-N 0 3 318.642 3.519 20 30 DHEDHN Cc1ccccc1C[C@H](C)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583028752 337230743 /nfs/dbraw/zinc/23/07/43/337230743.db2.gz UHIGXVAINOLZLN-HNNXBMFYSA-N 0 3 323.396 3.838 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186654975 337258185 /nfs/dbraw/zinc/25/81/85/337258185.db2.gz CHYNDAOBSISDMD-MGPUTAFESA-N 0 3 304.393 3.751 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189815016 337283295 /nfs/dbraw/zinc/28/32/95/337283295.db2.gz YEHVFNBZWSXKOK-MRXNPFEDSA-N 0 3 314.429 3.643 20 30 DHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(-c2cccnc2)cc1 ZINC000191272214 337295340 /nfs/dbraw/zinc/29/53/40/337295340.db2.gz ZRVWBUHLSNOSJS-OAHLLOKOSA-N 0 3 316.408 3.810 20 30 DHEDHN C[C@H]1CCSCCN1Cc1cccc(OCCCC#N)c1 ZINC000191814417 337300252 /nfs/dbraw/zinc/30/02/52/337300252.db2.gz UBYAXMJGUXYFIZ-HNNXBMFYSA-N 0 3 304.459 3.697 20 30 DHEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)C1(N)CCCCC1 ZINC000037800131 337366770 /nfs/dbraw/zinc/36/67/70/337366770.db2.gz SYYDVORIGGWCSX-UHFFFAOYSA-N 0 3 312.866 3.578 20 30 DHEDHN Cc1csc([C@@H](C)CNC2CC(C#N)(c3ccccc3)C2)n1 ZINC000129682495 337430331 /nfs/dbraw/zinc/43/03/31/337430331.db2.gz BYWICJLLHFNCAB-BELGNNRLSA-N 0 3 311.454 3.769 20 30 DHEDHN N=C(NC[C@@H]1CCC2(CCCCC2)O1)Nc1cc(F)ccc1F ZINC000262275802 337616317 /nfs/dbraw/zinc/61/63/17/337616317.db2.gz JKEOOURMYIAEJT-ZDUSSCGKSA-N 0 3 323.387 3.573 20 30 DHEDHN Clc1ccc(C#CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000429725698 337671611 /nfs/dbraw/zinc/67/16/11/337671611.db2.gz PLPFRTULVHPHHK-KURKYZTESA-N 0 3 315.844 3.629 20 30 DHEDHN C=CCC1(NCc2csc(-c3cnn(C)c3)n2)CCCCC1 ZINC000527717416 337758709 /nfs/dbraw/zinc/75/87/09/337758709.db2.gz OSDALGZQMJOTBK-UHFFFAOYSA-N 0 3 316.474 3.912 20 30 DHEDHN C=CC[C@H](CO)NCc1cc(Cl)c(OC(C)C)cc1Cl ZINC000527690201 337759980 /nfs/dbraw/zinc/75/99/80/337759980.db2.gz CRXIHJJNCYFSBL-GFCCVEGCSA-N 0 3 318.244 3.807 20 30 DHEDHN CC(C)NC(=O)Nc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424335030 337822574 /nfs/dbraw/zinc/82/25/74/337822574.db2.gz WHHDUISGGHOCRQ-JKIFEVAISA-N 0 3 314.433 3.559 20 30 DHEDHN C=CC[C@@H](C)N[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000116907832 337844567 /nfs/dbraw/zinc/84/45/67/337844567.db2.gz XYGAPLUSEKPQJH-BEFAXECRSA-N 0 3 324.424 3.929 20 30 DHEDHN C=CC[C@H](C)N[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000116907861 337844669 /nfs/dbraw/zinc/84/46/69/337844669.db2.gz CUIQKLYZPAIZGF-KXBFYZLASA-N 0 3 324.424 3.929 20 30 DHEDHN Cc1cccnc1[C@@H](NCCOc1ccc(C#N)cc1)C(C)C ZINC000118840015 337851964 /nfs/dbraw/zinc/85/19/64/337851964.db2.gz BPGYKWMOBXHFNE-SFHVURJKSA-N 0 3 309.413 3.627 20 30 DHEDHN C[C@H](NCCCN1CCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000537406205 337933509 /nfs/dbraw/zinc/93/35/09/337933509.db2.gz BYTQYAYVIJALHS-HNNXBMFYSA-N 0 3 323.415 3.801 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCN(c3ccccc3F)C1)CC2 ZINC000426301543 338025514 /nfs/dbraw/zinc/02/55/14/338025514.db2.gz NMRCCTWYVDSEFO-APWZRJJASA-N 0 3 321.399 3.553 20 30 DHEDHN CCN(Cc1cnc2ccc(C#N)cn12)[C@H](C)Cc1ccsc1 ZINC000428470957 338054054 /nfs/dbraw/zinc/05/40/54/338054054.db2.gz UJHNAUSNWRPUQP-CQSZACIVSA-N 0 3 324.453 3.721 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)[C@@H]1OCCc2sccc21 ZINC000429129001 338071449 /nfs/dbraw/zinc/07/14/49/338071449.db2.gz CVDBEZUPGSGIHK-ACJLOTCBSA-N 0 3 312.438 3.606 20 30 DHEDHN C=C(C)CCN(C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429359369 338078522 /nfs/dbraw/zinc/07/85/22/338078522.db2.gz ANRJFZATVHYGGH-UHFFFAOYSA-N 0 3 322.452 3.790 20 30 DHEDHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1CCC#N ZINC000429407296 338079837 /nfs/dbraw/zinc/07/98/37/338079837.db2.gz VIMGFONGBYROSX-HXUWFJFHSA-N 0 3 313.489 3.565 20 30 DHEDHN COc1ccc(CNCC2(CC#N)CC2)cc1OCCC(C)C ZINC000430035211 338094083 /nfs/dbraw/zinc/09/40/83/338094083.db2.gz BDCKCKCBOAQCKA-UHFFFAOYSA-N 0 3 316.445 3.904 20 30 DHEDHN CCCOc1c(Cl)cc(CNCC2(CC#N)CC2)cc1OC ZINC000430082272 338095266 /nfs/dbraw/zinc/09/52/66/338095266.db2.gz YYKJYTDXDYPODU-UHFFFAOYSA-N 0 3 322.836 3.921 20 30 DHEDHN C=CCc1cc(CN2CC3(CCC3)C[C@@H]2C)cc(OC)c1O ZINC000433020041 338176544 /nfs/dbraw/zinc/17/65/44/338176544.db2.gz AXJYWEYVLCGZPJ-AWEZNQCLSA-N 0 3 301.430 3.894 20 30 DHEDHN Cc1nc2ccc(C(=O)C(C#N)c3cc(C)nc(C)n3)cc2s1 ZINC000433107243 338182101 /nfs/dbraw/zinc/18/21/01/338182101.db2.gz VNJUAPMYAVWNLY-CYBMUJFWSA-N 0 3 322.393 3.502 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCCSc1ccccc1 ZINC000433143459 338182965 /nfs/dbraw/zinc/18/29/65/338182965.db2.gz ZCZBMAIUFRVRTI-QGZVFWFLSA-N 0 3 324.449 3.667 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000433315056 338191701 /nfs/dbraw/zinc/19/17/01/338191701.db2.gz XBASKMGTDGWICO-RTBURBONSA-N 0 3 310.441 3.940 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000433315055 338191784 /nfs/dbraw/zinc/19/17/84/338191784.db2.gz XBASKMGTDGWICO-RBUKOAKNSA-N 0 3 310.441 3.940 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NC1(c2cccc(F)c2)CC1 ZINC000433477068 338195486 /nfs/dbraw/zinc/19/54/86/338195486.db2.gz GYRZGRRPEYSJKV-MRXNPFEDSA-N 0 3 322.383 3.704 20 30 DHEDHN Cc1cc(C)cc(CCNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000433479146 338195548 /nfs/dbraw/zinc/19/55/48/338195548.db2.gz VFQGJAZDRMJLBQ-HXUWFJFHSA-N 0 3 320.436 3.735 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccccc1Br ZINC000435723800 338246204 /nfs/dbraw/zinc/24/62/04/338246204.db2.gz ABBJGSTUKFYFCD-HIFRSBDPSA-N 0 3 310.235 3.520 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1sccc1Br ZINC000435732811 338246841 /nfs/dbraw/zinc/24/68/41/338246841.db2.gz QVJQDCDTXINKIU-MFKMUULPSA-N 0 3 316.264 3.581 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000436304719 338267837 /nfs/dbraw/zinc/26/78/37/338267837.db2.gz YZMABWDAPHZNGU-SCVCMEIPSA-N 0 3 320.380 3.794 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000438482017 338345416 /nfs/dbraw/zinc/34/54/16/338345416.db2.gz ZMTFFAUYCGILBH-HNAYVOBHSA-N 0 3 306.409 3.945 20 30 DHEDHN O[C@@H]1CCCC[C@@H]1[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000439011025 338358280 /nfs/dbraw/zinc/35/82/80/338358280.db2.gz ZPRFJWOPYBBKRK-HSALFYBXSA-N 0 3 315.432 3.583 20 30 DHEDHN N#Cc1ccc(CN(CCO)CC2CCCCC2)c(Cl)c1 ZINC000439440296 338369545 /nfs/dbraw/zinc/36/95/45/338369545.db2.gz NRYUHTSIRDRAST-UHFFFAOYSA-N 0 3 306.837 3.586 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cscc1C)C(C)C ZINC000439485099 338371437 /nfs/dbraw/zinc/37/14/37/338371437.db2.gz HTQZKXPSDNCKLA-INIZCTEOSA-N 0 3 321.490 3.877 20 30 DHEDHN CCCOc1ccc(CNCc2ccc(C#N)c(OC)c2)c(C)c1 ZINC000440615924 338392469 /nfs/dbraw/zinc/39/24/69/338392469.db2.gz ILFKBQSHHSLALN-UHFFFAOYSA-N 0 3 324.424 3.954 20 30 DHEDHN C=CCCCN1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440912658 338399805 /nfs/dbraw/zinc/39/98/05/338399805.db2.gz IYZKZHUUIWIKHI-MRXNPFEDSA-N 0 3 312.413 3.593 20 30 DHEDHN COc1cc(CNCCCOc2cccc(C)c2C)ccc1C#N ZINC000441360341 338410553 /nfs/dbraw/zinc/41/05/53/338410553.db2.gz RUELXQHLZDRNFD-UHFFFAOYSA-N 0 3 324.424 3.742 20 30 DHEDHN C=CCCN1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000441468442 338414652 /nfs/dbraw/zinc/41/46/52/338414652.db2.gz BZKXPRBDLBTWCM-CQSZACIVSA-N 0 3 323.278 3.704 20 30 DHEDHN Cc1ccc(C[C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccn2)cc1 ZINC000442763672 338429849 /nfs/dbraw/zinc/42/98/49/338429849.db2.gz BHSMLJDPZRFDMY-BJLQDIEVSA-N 0 3 305.425 3.956 20 30 DHEDHN Cc1nc(-c2ccc(CN[C@H]3CCC[C@@H](C#N)C3)o2)cs1 ZINC000446822992 338536737 /nfs/dbraw/zinc/53/67/37/338536737.db2.gz HMMJVIDZMPDMLN-OLZOCXBDSA-N 0 3 301.415 3.884 20 30 DHEDHN Cc1nc(-c2ccc(CN[C@H]3CCC[C@H](C#N)C3)o2)cs1 ZINC000446822994 338536793 /nfs/dbraw/zinc/53/67/93/338536793.db2.gz HMMJVIDZMPDMLN-STQMWFEESA-N 0 3 301.415 3.884 20 30 DHEDHN COc1cc(CN[C@@H]2CCCc3c(F)cccc32)ccc1C#N ZINC000449351705 338616636 /nfs/dbraw/zinc/61/66/36/338616636.db2.gz QWWNAOLQLGTWHL-GOSISDBHSA-N 0 3 310.372 3.873 20 30 DHEDHN Cc1nc(CNCC(C)(C)CCC#N)sc1Br ZINC000449404434 338621452 /nfs/dbraw/zinc/62/14/52/338621452.db2.gz ZYWAIGWWNKCBFU-UHFFFAOYSA-N 0 3 316.268 3.634 20 30 DHEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000449613786 338641208 /nfs/dbraw/zinc/64/12/08/338641208.db2.gz CVQAKAVBEBTLAO-YLJYHZDGSA-N 0 3 324.424 3.656 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H](c3cccs3)C2)c(F)c1 ZINC000449630858 338642915 /nfs/dbraw/zinc/64/29/15/338642915.db2.gz VWRRDUWXUFVJOD-GOEBONIOSA-N 0 3 316.401 3.769 20 30 DHEDHN C=CC(C)(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000449876727 338656791 /nfs/dbraw/zinc/65/67/91/338656791.db2.gz MARWCYWCMMTBPV-HNNXBMFYSA-N 0 3 300.446 3.540 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNc1ncc(C(F)F)cn1)C(C)C ZINC000450248451 338673303 /nfs/dbraw/zinc/67/33/03/338673303.db2.gz XMFBGBQFIQCRHI-AWEZNQCLSA-N 0 3 310.392 3.525 20 30 DHEDHN CC(C)C1CCC(N2CCN(CC3(C#N)CCC3)CC2)CC1 ZINC000450489833 338687387 /nfs/dbraw/zinc/68/73/87/338687387.db2.gz RJFZOQNKCDQGHQ-UHFFFAOYSA-N 0 3 303.494 3.513 20 30 DHEDHN CC(C)(C#N)CCN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451913546 338748052 /nfs/dbraw/zinc/74/80/52/338748052.db2.gz QKLYBULEEBMHIZ-OAHLLOKOSA-N 0 3 315.244 3.730 20 30 DHEDHN N#Cc1cccc(CNC2(Cc3ccccc3)CCOCC2)c1F ZINC000451938000 338748531 /nfs/dbraw/zinc/74/85/31/338748531.db2.gz HPMUOPAIUJQQIH-UHFFFAOYSA-N 0 3 324.399 3.579 20 30 DHEDHN Cc1cccc([C@H](C)NCCC(=O)Nc2cccc(C#N)c2)c1 ZINC000452084528 338753163 /nfs/dbraw/zinc/75/31/63/338753163.db2.gz LBRIISAQLJDTHF-HNNXBMFYSA-N 0 3 307.397 3.546 20 30 DHEDHN C=C(C)CCN[C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000453307176 338821735 /nfs/dbraw/zinc/82/17/35/338821735.db2.gz BDVQRCSATAJMDS-MSOLQXFVSA-N 0 3 321.486 3.636 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000453351146 338829696 /nfs/dbraw/zinc/82/96/96/338829696.db2.gz JEMYVOVKKHDTPN-DFBGVHRSSA-N 0 3 315.335 3.622 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000453358651 338830941 /nfs/dbraw/zinc/83/09/41/338830941.db2.gz OZRSDRBTGNSSCJ-GDLCADMTSA-N 0 3 315.335 3.811 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(Br)cs1 ZINC000453374132 338834015 /nfs/dbraw/zinc/83/40/15/338834015.db2.gz WTTYQISBCUVHDN-IEBDPFPHSA-N 0 3 302.237 3.505 20 30 DHEDHN C=CCC[C@@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000459389483 339026551 /nfs/dbraw/zinc/02/65/51/339026551.db2.gz QNZFNJKPZCKCIT-QGZVFWFLSA-N 0 3 309.413 3.857 20 30 DHEDHN Cc1nc2ccccc2n1CCCCCN[C@H]1CCC[C@H]1C#N ZINC000459479412 339031709 /nfs/dbraw/zinc/03/17/09/339031709.db2.gz OATDJZPTMVNRCM-IRXDYDNUSA-N 0 3 310.445 3.797 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559574 339035724 /nfs/dbraw/zinc/03/57/24/339035724.db2.gz LACPZVBLWTUJMI-AUUYWEPGSA-N 0 3 314.429 3.673 20 30 DHEDHN CC(C)(C)C1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000459638707 339039801 /nfs/dbraw/zinc/03/98/01/339039801.db2.gz NFLSCBKRFIROOS-UHFFFAOYSA-N 0 3 322.456 3.942 20 30 DHEDHN CC(C)(C#N)CCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459667854 339041772 /nfs/dbraw/zinc/04/17/72/339041772.db2.gz SLRXCUCJXFVEOJ-CYBMUJFWSA-N 0 3 318.383 3.607 20 30 DHEDHN CC(C)(CC#N)CNCc1ccc(OC(F)F)c(Cl)c1 ZINC000459736960 339045284 /nfs/dbraw/zinc/04/52/84/339045284.db2.gz VHPOOLQXMGEBFK-UHFFFAOYSA-N 0 3 302.752 3.971 20 30 DHEDHN O[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1C1CCCC1 ZINC000459799418 339049121 /nfs/dbraw/zinc/04/91/21/339049121.db2.gz XCJXNRGJRVTMKK-RBUKOAKNSA-N 0 3 317.860 3.565 20 30 DHEDHN C[C@H](CN(C)[C@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000459810144 339049477 /nfs/dbraw/zinc/04/94/77/339049477.db2.gz PWGXDRWHXSBHAO-ZIAGYGMSSA-N 0 3 302.418 3.529 20 30 DHEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 ZINC000462271235 339075249 /nfs/dbraw/zinc/07/52/49/339075249.db2.gz NDJYUEJHVZZCGW-OAHLLOKOSA-N 0 3 321.424 3.671 20 30 DHEDHN C=CCOc1ccc(CNC[C@H](C)Oc2cccc(F)c2)cc1 ZINC000462733758 339085493 /nfs/dbraw/zinc/08/54/93/339085493.db2.gz KBUDDEQLOLDSMJ-HNNXBMFYSA-N 0 3 315.388 3.948 20 30 DHEDHN Cc1ccc([C@H](Cn2ccnc2)N[C@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000463247220 339111802 /nfs/dbraw/zinc/11/18/02/339111802.db2.gz VACFDHGCROVXFP-BJLQDIEVSA-N 0 3 322.456 3.913 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000464527756 339144301 /nfs/dbraw/zinc/14/43/01/339144301.db2.gz RQDXEPFWEHTHDD-LPHOPBHVSA-N 0 3 314.473 3.542 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000464649328 339147849 /nfs/dbraw/zinc/14/78/49/339147849.db2.gz QDNKZKXHULDBAE-MJGOQNOKSA-N 0 3 314.473 3.850 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000466244058 339197741 /nfs/dbraw/zinc/19/77/41/339197741.db2.gz JASVACPEXJAHML-IEBWSBKVSA-N 0 3 314.473 3.712 20 30 DHEDHN C[C@@H](NC[C@@H](CO)CC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000467442700 339238860 /nfs/dbraw/zinc/23/88/60/339238860.db2.gz HTKNXXAPESDSME-HIFRSBDPSA-N 0 3 304.409 3.537 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000468107670 339254165 /nfs/dbraw/zinc/25/41/65/339254165.db2.gz GYWCCJLCIVDFMF-VDZJLULYSA-N 0 3 300.446 3.540 20 30 DHEDHN Cc1ccc(CNC(=O)C(C)C#N)c(O[C@H](C)CC(C)C)c1 ZINC000468254004 339257650 /nfs/dbraw/zinc/25/76/50/339257650.db2.gz ZGVSHYAPFHPDBS-LSDHHAIUSA-N 0 3 302.418 3.584 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)CC1 ZINC000469409206 339288098 /nfs/dbraw/zinc/28/80/98/339288098.db2.gz BOGYWFAIPCAAHF-DLBZAZTESA-N 0 3 321.509 3.541 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000469477921 339290886 /nfs/dbraw/zinc/29/08/86/339290886.db2.gz LRIYDUKXJRYORM-HKUYNNGSSA-N 0 3 316.489 3.862 20 30 DHEDHN C=CCCCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000471615260 339349674 /nfs/dbraw/zinc/34/96/74/339349674.db2.gz QNLZGKOJUMMTRN-ROUUACIJSA-N 0 3 322.880 3.658 20 30 DHEDHN COc1cc(CN[C@H]2CC[C@@H](C#N)C2)ccc1OCCC(C)C ZINC000472142488 339364203 /nfs/dbraw/zinc/36/42/03/339364203.db2.gz PKFYHMZHIGQGMJ-WBVHZDCISA-N 0 3 316.445 3.902 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1cccc(Br)c1 ZINC000472776233 339377413 /nfs/dbraw/zinc/37/74/13/339377413.db2.gz USPDQWJFEOJCTB-HZPDHXFCSA-N 0 3 324.262 3.913 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)CCC ZINC000481030968 339593611 /nfs/dbraw/zinc/59/36/11/339593611.db2.gz BBBVSVAWWTWYBA-OAHLLOKOSA-N 0 3 322.522 3.773 20 30 DHEDHN C=CCSc1ccccc1C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000485458496 339703690 /nfs/dbraw/zinc/70/36/90/339703690.db2.gz WNVGREUASFMQEA-OAHLLOKOSA-N 0 3 320.502 3.671 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2CCCCC)CC1 ZINC000487667127 339760690 /nfs/dbraw/zinc/76/06/90/339760690.db2.gz OAYXVYGQMUOSBF-GOSISDBHSA-N 0 3 321.509 3.781 20 30 DHEDHN Cc1cc(CN[C@H](c2ccccc2)[C@H]2CCOC2)ccc1C#N ZINC000488139273 339771567 /nfs/dbraw/zinc/77/15/67/339771567.db2.gz NRJFFHALRCLOCQ-VQTJNVASSA-N 0 3 306.409 3.734 20 30 DHEDHN CC(C)(C)OC(=O)NC1CCN(CCCCC(C)(C)C#N)CC1 ZINC000495910098 339994513 /nfs/dbraw/zinc/99/45/13/339994513.db2.gz IGOWWOZASFXCFA-UHFFFAOYSA-N 0 3 323.481 3.696 20 30 DHEDHN C[C@@H](CC#N)N(C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000496207820 340000524 /nfs/dbraw/zinc/00/05/24/340000524.db2.gz PWZALGWMEONEPL-JYJNAYRXSA-N 0 3 323.481 3.551 20 30 DHEDHN CN(CCCCC(C)(C)C#N)CCN(C)C(=O)OC(C)(C)C ZINC000496282011 340002153 /nfs/dbraw/zinc/00/21/53/340002153.db2.gz IHTUZBJLGBDUNE-UHFFFAOYSA-N 0 3 311.470 3.505 20 30 DHEDHN CC#CCCNCc1ccc(OC(F)F)c(Br)c1 ZINC000499210454 340032558 /nfs/dbraw/zinc/03/25/58/340032558.db2.gz GETVFJZKQQUHPD-UHFFFAOYSA-N 0 3 318.161 3.554 20 30 DHEDHN C=CC[C@@H](CC)N[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000500818498 340067725 /nfs/dbraw/zinc/06/77/25/340067725.db2.gz VISVBEKMNZCEFK-QZTJIDSGSA-N 0 3 300.446 3.685 20 30 DHEDHN N#Cc1cccc(CN2CCC(N3CCc4ccccc43)CC2)c1 ZINC000502344377 340100321 /nfs/dbraw/zinc/10/03/21/340100321.db2.gz HXBSZEYIOBFJQH-UHFFFAOYSA-N 0 3 317.436 3.585 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](CC)C1)C(C)C ZINC000503414634 340127655 /nfs/dbraw/zinc/12/76/55/340127655.db2.gz YHHNZXPFAPMHGG-ROUUACIJSA-N 0 3 321.509 3.517 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccc(C)cc1)C(C)C ZINC000503413162 340127709 /nfs/dbraw/zinc/12/77/09/340127709.db2.gz XHMWDHFEZDMTOE-SFHVURJKSA-N 0 3 315.461 3.815 20 30 DHEDHN Cc1ccc(F)c(NC(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000505754999 340176699 /nfs/dbraw/zinc/17/66/99/340176699.db2.gz BESDBKIXXBPNIW-LLVKDONJSA-N 0 3 317.389 3.960 20 30 DHEDHN CCCOc1ccc(OCCN(C)Cc2ccc(C#N)cc2)cc1 ZINC000506133773 340186355 /nfs/dbraw/zinc/18/63/55/340186355.db2.gz BWXILJVTPWUFIR-UHFFFAOYSA-N 0 3 324.424 3.858 20 30 DHEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC000507022537 340205683 /nfs/dbraw/zinc/20/56/83/340205683.db2.gz OXQGNAWHQUCCHR-GDBMZVCRSA-N 0 3 309.388 3.945 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](c2ccccc2C)C1 ZINC000507206436 340213254 /nfs/dbraw/zinc/21/32/54/340213254.db2.gz OEFMPCAMDCIBKF-QZTJIDSGSA-N 0 3 314.473 3.597 20 30 DHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@H](CC)C1 ZINC000507779025 340231066 /nfs/dbraw/zinc/23/10/66/340231066.db2.gz TYQSNCBSQXMOHI-FUHWJXTLSA-N 0 3 318.417 3.788 20 30 DHEDHN C=C(C)CCN(CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000509247196 340264484 /nfs/dbraw/zinc/26/44/84/340264484.db2.gz MIHQTYOIAZLKHV-UHFFFAOYSA-N 0 3 314.351 3.721 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000510016067 340285502 /nfs/dbraw/zinc/28/55/02/340285502.db2.gz XUMXOZPHOBDYGU-AABGKKOBSA-N 0 3 318.420 3.679 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000510016068 340285572 /nfs/dbraw/zinc/28/55/72/340285572.db2.gz XUMXOZPHOBDYGU-UFYCRDLUSA-N 0 3 318.420 3.679 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]2Cc2cccc(F)c2)s1 ZINC000510403477 340298112 /nfs/dbraw/zinc/29/81/12/340298112.db2.gz IANLYRMGDXTYGS-OAHLLOKOSA-N 0 3 300.402 3.966 20 30 DHEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000510418862 340298717 /nfs/dbraw/zinc/29/87/17/340298717.db2.gz AFDWQSWZBDOZAX-FZMZJTMJSA-N 0 3 310.319 3.919 20 30 DHEDHN CC(C#N)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000510427406 340299153 /nfs/dbraw/zinc/29/91/53/340299153.db2.gz RFATUIJRKGAAAN-SJCJKPOMSA-N 0 3 314.335 3.524 20 30 DHEDHN N#Cc1cc(F)ccc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000303089391 340301198 /nfs/dbraw/zinc/30/11/98/340301198.db2.gz NLEGPGVGERVVCM-GOSISDBHSA-N 0 3 309.388 3.774 20 30 DHEDHN C=CCCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510576126 340303161 /nfs/dbraw/zinc/30/31/61/340303161.db2.gz BXQMHBITXGEZNC-IBGZPJMESA-N 0 3 314.473 3.556 20 30 DHEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H](c1ccccc1)C(C)C ZINC000303576707 340335087 /nfs/dbraw/zinc/33/50/87/340335087.db2.gz ZLGZGEZVPODUBU-LJQANCHMSA-N 0 3 300.446 3.516 20 30 DHEDHN C=CCOc1ccccc1CN1CC[C@H](Nc2ccccc2)C1 ZINC000512604091 340368540 /nfs/dbraw/zinc/36/85/40/340368540.db2.gz DOMCDDNATRXLDR-IBGZPJMESA-N 0 3 308.425 3.938 20 30 DHEDHN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512610541 340368894 /nfs/dbraw/zinc/36/88/94/340368894.db2.gz CBDSAEGQAVOHKY-KPOBHBOGSA-N 0 3 323.415 3.793 20 30 DHEDHN C[C@H](NC[C@H](C)N1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512621556 340369575 /nfs/dbraw/zinc/36/95/75/340369575.db2.gz ZGWWLJLOGRTABJ-KKUMJFAQSA-N 0 3 303.425 3.611 20 30 DHEDHN C[C@@H](NC[C@H](C)Oc1ccccc1F)c1ccc(C#N)cc1F ZINC000512659107 340371470 /nfs/dbraw/zinc/37/14/70/340371470.db2.gz CXBNVROYHYUTDA-QWHCGFSZSA-N 0 3 316.351 3.955 20 30 DHEDHN C=CCOc1cccc(CNCCc2c(F)cccc2F)c1 ZINC000513115837 340393906 /nfs/dbraw/zinc/39/39/06/340393906.db2.gz WJRCMSPYYAUWQL-UHFFFAOYSA-N 0 3 303.352 3.862 20 30 DHEDHN C[C@@H]1CN(CCCC(C)(C)C#N)CCN1CCCC(C)(C)C#N ZINC000174819303 340396651 /nfs/dbraw/zinc/39/66/51/340396651.db2.gz NWYOGWKIQBNZSX-QGZVFWFLSA-N 0 3 318.509 3.652 20 30 DHEDHN C=CCCCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000175711613 340417709 /nfs/dbraw/zinc/41/77/09/340417709.db2.gz JMLMZWGPMXCHAZ-UHFFFAOYSA-N 0 3 310.825 3.575 20 30 DHEDHN C=CCC1(NC(=O)Nc2cccc3c2CCNC3)CCCCC1 ZINC000517334736 340468047 /nfs/dbraw/zinc/46/80/47/340468047.db2.gz PZJYKHMFYCKLCQ-UHFFFAOYSA-N 0 3 313.445 3.733 20 30 DHEDHN Cc1ccc(CN2CCC(CC#N)CC2)c(-c2ccnn2C)c1 ZINC000521648236 340527053 /nfs/dbraw/zinc/52/70/53/340527053.db2.gz ZQZZKBRDCAVLLO-UHFFFAOYSA-N 0 3 308.429 3.521 20 30 DHEDHN C=CCC1(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CCC1 ZINC000191222510 340551374 /nfs/dbraw/zinc/55/13/74/340551374.db2.gz KNELTROFJCNVJY-INIZCTEOSA-N 0 3 314.473 3.978 20 30 DHEDHN CCC[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000193629888 340580542 /nfs/dbraw/zinc/58/05/42/340580542.db2.gz XGBHDSIZUWGYBU-SFHVURJKSA-N 0 3 307.397 3.628 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)c1cccs1)C(C)C ZINC000523140338 340616606 /nfs/dbraw/zinc/61/66/06/340616606.db2.gz LFJNQZCSBXQBQL-JKSUJKDBSA-N 0 3 320.502 3.666 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000128745117 340911373 /nfs/dbraw/zinc/91/13/73/340911373.db2.gz MFEZSCMEYMLZGA-UHFFFAOYSA-N 0 3 324.827 3.558 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000540397919 340929546 /nfs/dbraw/zinc/92/95/46/340929546.db2.gz KNEFCCXSHQNUDV-QWRGUYRKSA-N 0 3 319.779 3.777 20 30 DHEDHN CN(C)Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000541758306 340982760 /nfs/dbraw/zinc/98/27/60/340982760.db2.gz BWGYBXATZWPPKN-UHFFFAOYSA-N 0 3 313.788 3.526 20 30 DHEDHN N#CCc1ccc(CN2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000543186740 341035770 /nfs/dbraw/zinc/03/57/70/341035770.db2.gz MOVATSZAZGBRGI-LJQANCHMSA-N 0 3 306.409 3.654 20 30 DHEDHN N#Cc1ccc(CN(CCCOc2ccccc2)C2CC2)cc1 ZINC000543245094 341037913 /nfs/dbraw/zinc/03/79/13/341037913.db2.gz NWWAWIFNZFVCRX-UHFFFAOYSA-N 0 3 306.409 3.992 20 30 DHEDHN COc1ccc(CN2CC[C@@H](c3ccc(C)cc3)C2)cc1C#N ZINC000543247513 341038169 /nfs/dbraw/zinc/03/81/69/341038169.db2.gz DLWPTNFGGPXKAR-GOSISDBHSA-N 0 3 306.409 3.865 20 30 DHEDHN N#Cc1ccc(CN(CCOc2ccccc2F)C2CC2)cc1 ZINC000543248802 341038217 /nfs/dbraw/zinc/03/82/17/341038217.db2.gz LJYNJXOYPXKGOD-UHFFFAOYSA-N 0 3 310.372 3.741 20 30 DHEDHN C=C[C@H](C)NCc1ccc(Br)c(Br)c1 ZINC000130840254 341048777 /nfs/dbraw/zinc/04/87/77/341048777.db2.gz MEWWUAJBWCLPNC-QMMMGPOBSA-N 0 3 319.040 3.876 20 30 DHEDHN C=C(C)COc1cc(CN2CCC(CC#N)CC2)ccc1OC ZINC000543780181 341058331 /nfs/dbraw/zinc/05/83/31/341058331.db2.gz LADSNTDNDCLNCC-UHFFFAOYSA-N 0 3 314.429 3.776 20 30 DHEDHN N#CCC1CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000543780078 341058427 /nfs/dbraw/zinc/05/84/27/341058427.db2.gz MRAHQSJXGPSKKD-UHFFFAOYSA-N 0 3 321.424 3.786 20 30 DHEDHN N#CCc1ccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000544120019 341071034 /nfs/dbraw/zinc/07/10/34/341071034.db2.gz KGTYSTLAZLSLLS-WOJBJXKFSA-N 0 3 306.409 3.620 20 30 DHEDHN Cc1cccc(C)c1[C@@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000544895980 341098036 /nfs/dbraw/zinc/09/80/36/341098036.db2.gz YRFCSNDMAGHSAH-MRXNPFEDSA-N 0 3 321.424 3.855 20 30 DHEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000073618357 341119240 /nfs/dbraw/zinc/11/92/40/341119240.db2.gz HLKXUKNLBLKAFF-SWLSCSKDSA-N 0 3 319.836 3.661 20 30 DHEDHN C=CCCOCCN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133671935 341181384 /nfs/dbraw/zinc/18/13/84/341181384.db2.gz QEMYIEOZQCFCAL-CQSZACIVSA-N 0 3 314.351 3.660 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCC(C)(C)C)CC1 ZINC000077663079 341228270 /nfs/dbraw/zinc/22/82/70/341228270.db2.gz VJWKYMLTXREPPD-HNNXBMFYSA-N 0 3 309.498 3.541 20 30 DHEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000135127951 341231749 /nfs/dbraw/zinc/23/17/49/341231749.db2.gz IDRHOFMAKMZKEB-AWEZNQCLSA-N 0 3 310.397 3.856 20 30 DHEDHN N#Cc1ccc(OCCN(CCc2cccc(F)c2)C2CC2)cc1 ZINC000078705040 341246399 /nfs/dbraw/zinc/24/63/99/341246399.db2.gz ZQZZZTAKLJHHIJ-UHFFFAOYSA-N 0 3 324.399 3.783 20 30 DHEDHN Cc1oc(NC(=O)CN(C)[C@H](C)C2CCCCC2)c(C#N)c1C ZINC000549159402 341287553 /nfs/dbraw/zinc/28/75/53/341287553.db2.gz HYGUGHBWKUBJFI-CYBMUJFWSA-N 0 3 317.433 3.607 20 30 DHEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081574062 341297295 /nfs/dbraw/zinc/29/72/95/341297295.db2.gz FESDLPXDCGDQLS-QRWLVFNGSA-N 0 3 322.408 3.639 20 30 DHEDHN CCOc1ccc(CNCc2ccc(C#N)cc2)cc1Cl ZINC000551236343 341334829 /nfs/dbraw/zinc/33/48/29/341334829.db2.gz MNVRMJVJRVTJKO-UHFFFAOYSA-N 0 3 300.789 3.900 20 30 DHEDHN C=CCC[C@H](NCCN1CCc2sccc2C1)c1ccco1 ZINC000552046701 341364817 /nfs/dbraw/zinc/36/48/17/341364817.db2.gz ORKQOORLPNQREK-INIZCTEOSA-N 0 3 316.470 3.996 20 30 DHEDHN C=CC[C@H](C)[C@H](C)N[C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000248908751 341389919 /nfs/dbraw/zinc/38/99/19/341389919.db2.gz XJEGUAMPAZJSAQ-MELADBBJSA-N 0 3 315.417 3.997 20 30 DHEDHN C=CCOc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000566630432 341563680 /nfs/dbraw/zinc/56/36/80/341563680.db2.gz LNNNJZHJEFNAOV-GOSISDBHSA-N 0 3 324.380 3.937 20 30 DHEDHN Cc1ccc([C@H](Cn2ccnc2)N[C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000567317032 341594628 /nfs/dbraw/zinc/59/46/28/341594628.db2.gz MZZQMOBPUBBNNV-SCTDSRPQSA-N 0 3 308.429 3.523 20 30 DHEDHN N#CCCCCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000174417522 341826708 /nfs/dbraw/zinc/82/67/08/341826708.db2.gz ZNLOPFAJDVRJFU-INIZCTEOSA-N 0 3 322.836 3.681 20 30 DHEDHN COc1cc(CNCc2ccc(OCC(C)C)cc2)ccc1C#N ZINC000576507524 341849644 /nfs/dbraw/zinc/84/96/44/341849644.db2.gz CMDPNTVYWYHPMB-UHFFFAOYSA-N 0 3 324.424 3.891 20 30 DHEDHN N#Cc1ccc(CNCCOc2cccc3ccccc32)s1 ZINC000176951499 341906046 /nfs/dbraw/zinc/90/60/46/341906046.db2.gz QLAQDTSINSIBAY-UHFFFAOYSA-N 0 3 308.406 3.942 20 30 DHEDHN CC(C)c1ccccc1OCCNCc1cc(C#N)cs1 ZINC000177699477 341924268 /nfs/dbraw/zinc/92/42/68/341924268.db2.gz QWCHKJNAFFWULE-UHFFFAOYSA-N 0 3 300.427 3.912 20 30 DHEDHN COCC1(C#N)CCN(Cc2cccc(-c3cccnc3)c2)CC1 ZINC000342836204 518043411 /nfs/dbraw/zinc/04/34/11/518043411.db2.gz IBVDBLWGUMNJTI-UHFFFAOYSA-N 0 3 321.424 3.501 20 30 DHEDHN C=C(C)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020805842 518603233 /nfs/dbraw/zinc/60/32/33/518603233.db2.gz USEUWFHXYZIVAQ-UHFFFAOYSA-N 0 3 306.453 3.970 20 30 DHEDHN CC(C)(C)[C@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266525298 518976037 /nfs/dbraw/zinc/97/60/37/518976037.db2.gz JXSQWGRELUTKSH-OAHLLOKOSA-N 0 3 310.401 3.619 20 30 DHEDHN COCCCOc1cccc(CN(C)Cc2cccc(C#N)c2)c1 ZINC000130790032 523416303 /nfs/dbraw/zinc/41/63/03/523416303.db2.gz APXULNUGFLGLMQ-UHFFFAOYSA-N 0 3 324.424 3.606 20 30 DHEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(C#N)cc1 ZINC000128479499 524442353 /nfs/dbraw/zinc/44/23/53/524442353.db2.gz WEINRTPXSSNCOW-UHFFFAOYSA-N 0 3 319.408 3.715 20 30 DHEDHN C[C@H](NC[C@@](C)(O)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000157607549 525400283 /nfs/dbraw/zinc/40/02/83/525400283.db2.gz OORONLXYSIOCHY-SCLBCKFNSA-N 0 3 314.816 3.770 20 30 DHEDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1CO)c1cccc(C#N)c1 ZINC000365106014 525642545 /nfs/dbraw/zinc/64/25/45/525642545.db2.gz SIZUQIZAEWUUIF-ADLFWFRXSA-N 0 3 306.409 3.505 20 30 DHEDHN C[C@@H](NCc1cc(C#N)cs1)[C@H](O)c1c(F)cccc1Cl ZINC000748099030 1013312367 /nfs/dbraw/zinc/31/23/67/1013312367.db2.gz BQZCCBDNOHHDKD-PSLIRLAXSA-N 0 3 324.808 3.624 20 30 DHEDHN CC(C)(C)c1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000123504835 1013319715 /nfs/dbraw/zinc/31/97/15/1013319715.db2.gz BJLDTOFMKQMJCX-UHFFFAOYSA-N 0 3 318.424 3.793 20 30 DHEDHN C[C@H]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000655729459 1013671234 /nfs/dbraw/zinc/67/12/34/1013671234.db2.gz ALJKCPXBFBIWSQ-WFASDCNBSA-N 0 3 313.388 3.931 20 30 DHEDHN C=CCOc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000441365839 1013726893 /nfs/dbraw/zinc/72/68/93/1013726893.db2.gz CAVOWOFWMHWWEV-NRFANRHFSA-N 0 3 323.436 3.565 20 30 DHEDHN CCN1CCC[C@H]1CNC(=O)c1coc(C2CCCCC2)n1 ZINC000328728921 1013797513 /nfs/dbraw/zinc/79/75/13/1013797513.db2.gz FETMGESDYXVKMG-AWEZNQCLSA-N 0 3 305.422 3.511 20 30 DHEDHN C[C@@H](CC(C)(C)O)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331337454 1013875039 /nfs/dbraw/zinc/87/50/39/1013875039.db2.gz JCWRWNDYXMZUIG-HNNXBMFYSA-N 0 3 318.461 3.527 20 30 DHEDHN N#CC(C(=O)c1ccc(Oc2ccccc2)cn1)c1ccccn1 ZINC000580151400 1014044885 /nfs/dbraw/zinc/04/48/85/1014044885.db2.gz BADZCOYDVFYEAR-MRXNPFEDSA-N 0 3 315.332 3.759 20 30 DHEDHN CC(C)[C@](C)(NC#C[Si](C(C)C)(C(C)C)C(C)C)C(N)=O ZINC001167410883 1014168479 /nfs/dbraw/zinc/16/84/79/1014168479.db2.gz JKROUUJFHYRWKK-KRWDZBQOSA-N 0 3 310.558 3.655 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCc3c2cccc3O)cc1 ZINC000130368303 1014241105 /nfs/dbraw/zinc/24/11/05/1014241105.db2.gz QMNXRUASYUMAMK-LIRRHRJNSA-N 0 3 307.393 3.742 20 30 DHEDHN C=CCN(Cc1cccs1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000561850847 1032098307 /nfs/dbraw/zinc/09/83/07/1032098307.db2.gz YDOGLXLAGBSFDU-MRXNPFEDSA-N 0 3 321.873 3.993 20 30 DHEDHN Cc1ccccc1[C@@H](NCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000581315977 1014699989 /nfs/dbraw/zinc/69/99/89/1014699989.db2.gz CASSBYLDLSRJOF-FQEVSTJZSA-N 0 3 316.408 3.755 20 30 DHEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(OC2CCCC2)c1 ZINC000442773216 1014730370 /nfs/dbraw/zinc/73/03/70/1014730370.db2.gz WVQXIOOFEPLAFW-GOEBONIOSA-N 0 3 314.429 3.798 20 30 DHEDHN COc1cc(CN2CCSC3(CCCCC3)C2)ccc1C#N ZINC000442890108 1014761598 /nfs/dbraw/zinc/76/15/98/1014761598.db2.gz MXQAPLZVSJXMEG-UHFFFAOYSA-N 0 3 316.470 3.819 20 30 DHEDHN C=CCCCCCN(C)CC(=O)NCc1ccc(Cl)cc1 ZINC001167461712 1014846933 /nfs/dbraw/zinc/84/69/33/1014846933.db2.gz PUDXJZLFOGJCED-UHFFFAOYSA-N 0 3 308.853 3.634 20 30 DHEDHN C=CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000522083667 1014884878 /nfs/dbraw/zinc/88/48/78/1014884878.db2.gz JMKXYHAOPPFSJG-HOTGVXAUSA-N 0 3 314.473 3.713 20 30 DHEDHN N#CC1CCN(Cc2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001140408643 1014904506 /nfs/dbraw/zinc/90/45/06/1014904506.db2.gz AUSXLTBAPBUEBB-UHFFFAOYSA-N 0 3 312.804 3.533 20 30 DHEDHN C=CCCN[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000656680916 1015061014 /nfs/dbraw/zinc/06/10/14/1015061014.db2.gz XMZMPLSQTBVQCX-LJQANCHMSA-N 0 3 324.424 3.849 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000522440939 1015393641 /nfs/dbraw/zinc/39/36/41/1015393641.db2.gz HFGFKRQHCXCSRI-QFBILLFUSA-N 0 3 314.473 3.978 20 30 DHEDHN CCN(Cc1cn2ccnc2s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891656165 1015493091 /nfs/dbraw/zinc/49/30/91/1015493091.db2.gz MAMUDAYBMHHPLW-ZDUSSCGKSA-N 0 3 310.426 3.851 20 30 DHEDHN COCC1(C#N)CCN(CCSc2ccc(C)c(C)c2)CC1 ZINC000341980194 1015861007 /nfs/dbraw/zinc/86/10/07/1015861007.db2.gz PKSOSZMBRAXXGG-UHFFFAOYSA-N 0 3 318.486 3.648 20 30 DHEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H]4CCCC[C@H]43)o2)cc1 ZINC000247705115 1015958905 /nfs/dbraw/zinc/95/89/05/1015958905.db2.gz YSDHMOOFQIOGON-NVXWUHKLSA-N 0 3 322.412 3.763 20 30 DHEDHN Cc1cc(C)c(C#N)c(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000071952812 1016272676 /nfs/dbraw/zinc/27/26/76/1016272676.db2.gz OXMWLZFSKDOOMH-SFHVURJKSA-N 0 3 320.440 3.647 20 30 DHEDHN COc1cc(CN[C@H]2CCSc3ccccc32)ccc1C#N ZINC000281472196 1016532475 /nfs/dbraw/zinc/53/24/75/1016532475.db2.gz BPRBNGXAGOGKCZ-INIZCTEOSA-N 0 3 310.422 3.894 20 30 DHEDHN N#Cc1ccc(Br)c(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000492814316 1037027351 /nfs/dbraw/zinc/02/73/51/1037027351.db2.gz ADFBPNJDFMFSJZ-IUODEOHRSA-N 0 3 305.219 3.695 20 30 DHEDHN C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587646 1016610086 /nfs/dbraw/zinc/61/00/86/1016610086.db2.gz KPINZIPIDNWFTC-NJSLBKSFSA-N 0 3 312.388 3.513 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(C(F)F)cc2)cc1 ZINC000185172936 1016694854 /nfs/dbraw/zinc/69/48/54/1016694854.db2.gz CXAUNHRYILRPID-UHFFFAOYSA-N 0 3 301.336 3.926 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000097059934 1016869544 /nfs/dbraw/zinc/86/95/44/1016869544.db2.gz RIUKAAVEDNAAMZ-FUHWJXTLSA-N 0 3 302.462 3.786 20 30 DHEDHN CN(C)C[C@@H](NCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000282813538 1032504013 /nfs/dbraw/zinc/50/40/13/1032504013.db2.gz MSGCXZKCCSXWHJ-MRXNPFEDSA-N 0 3 319.861 3.666 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccccc2N(C)C)cc1 ZINC000773003885 1032521060 /nfs/dbraw/zinc/52/10/60/1032521060.db2.gz HZDMFTVXDZHVJO-MRXNPFEDSA-N 0 3 308.425 3.615 20 30 DHEDHN CC1(C)CN(Cc2cccc(OCCCC#N)c2)CCS1 ZINC000093504379 1032542652 /nfs/dbraw/zinc/54/26/52/1032542652.db2.gz WNAJOVKWWFVWSO-UHFFFAOYSA-N 0 3 304.459 3.697 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H]2CN(C)Cc3ccccc32)cc1 ZINC000773105513 1032560904 /nfs/dbraw/zinc/56/09/04/1032560904.db2.gz HMVXZKPQPQNWRL-KKSFZXQISA-N 0 3 320.436 3.536 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H](c2cccnc2)C2CC2)cc1 ZINC000773118374 1032564835 /nfs/dbraw/zinc/56/48/35/1032564835.db2.gz LQHYOWCOSAMXOQ-MGPUTAFESA-N 0 3 306.409 3.896 20 30 DHEDHN CC[C@H](C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424134694 1011914201 /nfs/dbraw/zinc/91/42/01/1011914201.db2.gz YROOCSKVYLVFQY-APHBMKBZSA-N 0 3 321.852 3.565 20 30 DHEDHN C=CCn1cc(CN[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)nn1 ZINC000424297122 1011962496 /nfs/dbraw/zinc/96/24/96/1011962496.db2.gz PXOWWWOWADFPSN-GDBMZVCRSA-N 0 3 316.836 3.543 20 30 DHEDHN C=CCn1cc(CN[C@H]2CC[C@H](c3cccc(Cl)c3)C2)nn1 ZINC000424295824 1011964870 /nfs/dbraw/zinc/96/48/70/1011964870.db2.gz NNVOFFJXZURVDA-HOCLYGCPSA-N 0 3 316.836 3.543 20 30 DHEDHN Cc1cc(CN2CCCO[C@@H](c3ccccc3)C2)ccc1C#N ZINC000618593661 1012327793 /nfs/dbraw/zinc/32/77/93/1012327793.db2.gz VJLGXWCYRCXFDC-HXUWFJFHSA-N 0 3 306.409 3.830 20 30 DHEDHN C=C(C)CCC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC001269939914 1012464783 /nfs/dbraw/zinc/46/47/83/1012464783.db2.gz OFCLZNANKCXGDU-GOSISDBHSA-N 0 3 302.462 3.616 20 30 DHEDHN C=CCCCNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000515035058 1012541424 /nfs/dbraw/zinc/54/14/24/1012541424.db2.gz LHNOSKFJGMOUCZ-UHFFFAOYSA-N 0 3 311.216 3.630 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@H]3COCC[C@@H]32)cc1Cl ZINC000537687498 1032642338 /nfs/dbraw/zinc/64/23/38/1032642338.db2.gz IUPQAGNEEOCQLW-RDJZCZTQSA-N 0 3 321.848 3.906 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000517317458 1012962240 /nfs/dbraw/zinc/96/22/40/1012962240.db2.gz HXAZJYDRIKVZQK-MRXNPFEDSA-N 0 3 309.498 3.541 20 30 DHEDHN C=CCOc1ccccc1CN1CCC2(CCOCC2)CC1 ZINC000342844863 1017564979 /nfs/dbraw/zinc/56/49/79/1017564979.db2.gz VIQFJYNXBXWWAF-UHFFFAOYSA-N 0 3 301.430 3.644 20 30 DHEDHN Cc1ccccc1CN1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444595793 1017585158 /nfs/dbraw/zinc/58/51/58/1017585158.db2.gz OMHYOIRFRGKGSX-UHFFFAOYSA-N 0 3 313.489 3.833 20 30 DHEDHN COc1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)ccn1 ZINC000342860839 1017609763 /nfs/dbraw/zinc/60/97/63/1017609763.db2.gz RLERDRBSZXJBRL-UHFFFAOYSA-N 0 3 309.413 3.620 20 30 DHEDHN C=CCC[C@@H](O)CN[C@@H](CC(F)(F)F)c1ccccc1C ZINC000444784093 1017664655 /nfs/dbraw/zinc/66/46/55/1017664655.db2.gz URALZIQBOKBGBU-HIFRSBDPSA-N 0 3 301.352 3.905 20 30 DHEDHN C=CCOCCCNCc1c(Cl)cccc1OC(F)F ZINC000657658417 1017683617 /nfs/dbraw/zinc/68/36/17/1017683617.db2.gz XHVRJDBCNHSOOK-UHFFFAOYSA-N 0 3 305.752 3.624 20 30 DHEDHN Cc1cc2cc(NCCOc3ccc(C#N)cc3)ccc2cn1 ZINC001171484628 1032724842 /nfs/dbraw/zinc/72/48/42/1032724842.db2.gz NSKLEALGYALCFP-UHFFFAOYSA-N 0 3 303.365 3.906 20 30 DHEDHN C=C[C@@H](C)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000153653782 1017872882 /nfs/dbraw/zinc/87/28/82/1017872882.db2.gz MUUPXICCKDXLIS-LLVKDONJSA-N 0 3 302.330 3.528 20 30 DHEDHN C[C@@H](NCC#Cc1ccc(F)cc1)c1cccc(-n2cccn2)c1 ZINC000183572770 1018029862 /nfs/dbraw/zinc/02/98/62/1018029862.db2.gz NRYWRLLZBWSSCG-MRXNPFEDSA-N 0 3 319.383 3.714 20 30 DHEDHN N#CC(C(=O)c1ccc(F)cc1)c1nc(-c2ccncc2)cs1 ZINC000114620647 1018106830 /nfs/dbraw/zinc/10/68/30/1018106830.db2.gz OLMNUDIAOZALLZ-AWEZNQCLSA-N 0 3 323.352 3.834 20 30 DHEDHN N#Cc1ccc2c(c1)CN([C@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171476708 1032748531 /nfs/dbraw/zinc/74/85/31/1032748531.db2.gz ORORSZHHUMQOHJ-SFHVURJKSA-N 0 3 324.374 3.752 20 30 DHEDHN CC[C@@H](NCc1ccc(OC(C)C)nc1)c1ccc(C#N)cc1 ZINC000278159193 1018240186 /nfs/dbraw/zinc/24/01/86/1018240186.db2.gz BCOJAAUGIZDVEY-GOSISDBHSA-N 0 3 309.413 3.981 20 30 DHEDHN CC[C@H](NCc1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000278175821 1018280459 /nfs/dbraw/zinc/28/04/59/1018280459.db2.gz CZOKEGMYHVCHDZ-KRWDZBQOSA-N 0 3 308.381 3.570 20 30 DHEDHN Cc1ccc(O[C@H]2CCN(CCC3(C#N)CCCCC3)C2)nc1 ZINC000858044291 1032754726 /nfs/dbraw/zinc/75/47/26/1032754726.db2.gz FECHQSMPBANXTQ-KRWDZBQOSA-N 0 3 313.445 3.707 20 30 DHEDHN C[C@H](NCc1ccccc1Cn1cccn1)c1ccc(C#N)cc1 ZINC000173843970 1018364079 /nfs/dbraw/zinc/36/40/79/1018364079.db2.gz ZIZOWUFADQIQAB-INIZCTEOSA-N 0 3 316.408 3.654 20 30 DHEDHN N#CC1(CN[C@@H]2CCc3cc(F)c(F)c(F)c3C2)CCCC1 ZINC001171509307 1032762044 /nfs/dbraw/zinc/76/20/44/1032762044.db2.gz UVQHQIIZRZQHGF-GFCCVEGCSA-N 0 3 308.347 3.635 20 30 DHEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCc2ccccc2C)cc1 ZINC000658333067 1018487631 /nfs/dbraw/zinc/48/76/31/1018487631.db2.gz LSAPIWAGMUMUNP-QFBILLFUSA-N 0 3 311.425 3.772 20 30 DHEDHN CC[C@H](C)N[C@@H](CNc1cccc(F)c1C#N)c1ccco1 ZINC000343251283 1018499884 /nfs/dbraw/zinc/49/98/84/1018499884.db2.gz OCQRCZNLSIFQCU-LRDDRELGSA-N 0 3 301.365 3.832 20 30 DHEDHN CC(C)(C#N)CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000157399640 1018619540 /nfs/dbraw/zinc/61/95/40/1018619540.db2.gz WOQDGKCWCMUKOY-OAHLLOKOSA-N 0 3 300.402 3.535 20 30 DHEDHN CCCOc1ccc(C(C)(C)NCc2ccnc(C#N)c2)cc1 ZINC000619516734 1018741178 /nfs/dbraw/zinc/74/11/78/1018741178.db2.gz UUYDYTAXTPZQJZ-UHFFFAOYSA-N 0 3 309.413 3.767 20 30 DHEDHN CO[C@@H](CNCc1csc(C#N)c1)c1cccc(Cl)c1 ZINC000921797499 1018865229 /nfs/dbraw/zinc/86/52/29/1018865229.db2.gz DJHHRHYXANPFGY-HNNXBMFYSA-N 0 3 306.818 3.750 20 30 DHEDHN C=CCN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000080616696 1018888204 /nfs/dbraw/zinc/88/82/04/1018888204.db2.gz PMKGBOHIJCNWIL-UHFFFAOYSA-N 0 3 309.797 3.619 20 30 DHEDHN CC[C@H](C)[C@@H](C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000584056093 1018907433 /nfs/dbraw/zinc/90/74/33/1018907433.db2.gz DVBLCULINIPATD-QWHCGFSZSA-N 0 3 301.390 3.865 20 30 DHEDHN N#Cc1ccc(Br)c(CN[C@H]2CCC(F)(F)C2)c1 ZINC000921853437 1018993023 /nfs/dbraw/zinc/99/30/23/1018993023.db2.gz ICVWCIFSQODNJE-NSHDSACASA-N 0 3 315.161 3.598 20 30 DHEDHN CO[C@@H](CNCc1csc(C#N)c1)c1ccccc1Cl ZINC000921853410 1018994013 /nfs/dbraw/zinc/99/40/13/1018994013.db2.gz HKKKHXICUGOEFW-HNNXBMFYSA-N 0 3 306.818 3.750 20 30 DHEDHN N#Cc1ccccc1CN1CC[C@@H](COCc2ccccc2)C1 ZINC000075864808 1019064825 /nfs/dbraw/zinc/06/48/25/1019064825.db2.gz QRWIQBNQWMLCKN-GOSISDBHSA-N 0 3 306.409 3.597 20 30 DHEDHN CN(Cc1cccc(C#N)c1)Cc1ccccc1C(C)(C)C#N ZINC000135120869 1019065426 /nfs/dbraw/zinc/06/54/26/1019065426.db2.gz PGVAJLKXIVSGRC-UHFFFAOYSA-N 0 3 303.409 3.991 20 30 DHEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1csc(C#N)c1 ZINC000921957341 1019211664 /nfs/dbraw/zinc/21/16/64/1019211664.db2.gz BDXDKXQKPPFYTI-BZNIZROVSA-N 0 3 304.390 3.625 20 30 DHEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1csc(C#N)c1 ZINC000921957394 1019212053 /nfs/dbraw/zinc/21/20/53/1019212053.db2.gz BDXDKXQKPPFYTI-ZBEGNZNMSA-N 0 3 304.390 3.625 20 30 DHEDHN CC[C@@H](CSC)NCc1cc(C#N)ccc1Br ZINC000921965596 1019226937 /nfs/dbraw/zinc/22/69/37/1019226937.db2.gz BYKWJOUURSEUID-LBPRGKRZSA-N 0 3 313.264 3.552 20 30 DHEDHN C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000672464224 1019236948 /nfs/dbraw/zinc/23/69/48/1019236948.db2.gz ZYKNOSVNXILFMJ-CZUORRHYSA-N 0 3 323.868 3.597 20 30 DHEDHN CN(Cc1ccc(C#N)o1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611266811 1019426661 /nfs/dbraw/zinc/42/66/61/1019426661.db2.gz PKJCIYNSLYLIDM-LPHOPBHVSA-N 0 3 310.397 3.751 20 30 DHEDHN CCCC[C@@H](NCc1ccnc(C#N)c1)c1ccc(OC)cc1 ZINC000611389846 1019474465 /nfs/dbraw/zinc/47/44/65/1019474465.db2.gz STQSYFQBGXAQFR-LJQANCHMSA-N 0 3 309.413 3.983 20 30 DHEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCOc1cccc(C#N)c1 ZINC000611553985 1019513158 /nfs/dbraw/zinc/51/31/58/1019513158.db2.gz AGGDZJKJMWBLID-OCCSQVGLSA-N 0 3 312.335 3.600 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC(C)C ZINC000673234981 1019698720 /nfs/dbraw/zinc/69/87/20/1019698720.db2.gz SKYPXUQNXOCQFZ-UHFFFAOYSA-N 0 3 322.522 3.631 20 30 DHEDHN C#CC[C@H](COC)NCc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000858334024 1032849595 /nfs/dbraw/zinc/84/95/95/1032849595.db2.gz GEIDCWNXPPDWFW-MRXNPFEDSA-N 0 3 314.454 3.555 20 30 DHEDHN C=C(C)CN1CCC(NC(=S)Nc2cccc(CC)c2)CC1 ZINC000729942834 1019927510 /nfs/dbraw/zinc/92/75/10/1019927510.db2.gz UHULMUROLXOIJF-UHFFFAOYSA-N 0 3 317.502 3.576 20 30 DHEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cs1 ZINC000922300738 1019976983 /nfs/dbraw/zinc/97/69/83/1019976983.db2.gz PYRUVFMNWYKHQL-CVEARBPZSA-N 0 3 318.829 3.893 20 30 DHEDHN FC(F)(F)Oc1ccc(C#CCN2CCC23CCCC3)cc1 ZINC001171765680 1032865862 /nfs/dbraw/zinc/86/58/62/1032865862.db2.gz UMLPKQUTOOHLOU-UHFFFAOYSA-N 0 3 309.331 3.955 20 30 DHEDHN C=CC(C)(C)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000835721488 1020005900 /nfs/dbraw/zinc/00/59/00/1020005900.db2.gz LGFOGCICPVUBKY-UHFFFAOYSA-N 0 3 301.430 3.654 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1cccc2[nH]ccc21 ZINC000092567988 1020100100 /nfs/dbraw/zinc/10/01/00/1020100100.db2.gz WJARLMHFHYVHIL-UHFFFAOYSA-N 0 3 319.408 3.688 20 30 DHEDHN Cc1nsc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1C#N ZINC000329358586 1020170109 /nfs/dbraw/zinc/17/01/09/1020170109.db2.gz GFCMHYFOUPHZDU-DZGCQCFKSA-N 0 3 312.442 3.571 20 30 DHEDHN Cc1nsc(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1C#N ZINC000329358588 1020172461 /nfs/dbraw/zinc/17/24/61/1020172461.db2.gz GFCMHYFOUPHZDU-UKRRQHHQSA-N 0 3 312.442 3.571 20 30 DHEDHN N#CC(C(=O)[C@H]1CCOC2(CCC2)C1)c1ccc2ccccc2n1 ZINC000892425320 1020210896 /nfs/dbraw/zinc/21/08/96/1020210896.db2.gz ABYOEPUONZEVPT-JKSUJKDBSA-N 0 3 320.392 3.760 20 30 DHEDHN N#CC(C(=O)CC[C@H]1CCCCO1)c1ccc2ccccc2n1 ZINC000732494362 1020243051 /nfs/dbraw/zinc/24/30/51/1020243051.db2.gz MXQSKZQMABUPHD-CVEARBPZSA-N 0 3 308.381 3.760 20 30 DHEDHN Cc1ccc(CNCc2cccc(OCCCC#N)c2)cc1C#N ZINC000922759101 1020252969 /nfs/dbraw/zinc/25/29/69/1020252969.db2.gz LKTGSTWSCBREBF-UHFFFAOYSA-N 0 3 319.408 3.839 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@H]2CCCc3cccnc32)cc1 ZINC000922882933 1020330162 /nfs/dbraw/zinc/33/01/62/1020330162.db2.gz PHZRPRXSSXMJCP-IBGZPJMESA-N 0 3 320.440 3.599 20 30 DHEDHN C#CCOc1ccccc1CN1CCC(Cc2cccnc2)CC1 ZINC000780895070 1020356388 /nfs/dbraw/zinc/35/63/88/1020356388.db2.gz OXACCCCCCGKUAQ-UHFFFAOYSA-N 0 3 320.436 3.548 20 30 DHEDHN CCN(CC)[C@@H](C/N=C\c1ccccc1O)c1ccsc1 ZINC000255775693 1020378433 /nfs/dbraw/zinc/37/84/33/1020378433.db2.gz RHNLINNBPINYRO-GYXHFJGISA-N 0 3 302.443 3.956 20 30 DHEDHN C#CCCOc1ccc(CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000179707630 1020434332 /nfs/dbraw/zinc/43/43/32/1020434332.db2.gz OBFGIZVGYQCZPV-HXUWFJFHSA-N 0 3 308.425 3.764 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc2nccn21 ZINC000179721351 1020434908 /nfs/dbraw/zinc/43/49/08/1020434908.db2.gz ARQCBRHBAZOZCA-UHFFFAOYSA-N 0 3 304.397 3.618 20 30 DHEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000892493964 1020546627 /nfs/dbraw/zinc/54/66/27/1020546627.db2.gz WEZVFJXAXPANTF-CYBMUJFWSA-N 0 3 304.777 3.590 20 30 DHEDHN C#CCOc1ccccc1CNCc1ccnc2ccccc12 ZINC000734159071 1020569295 /nfs/dbraw/zinc/56/92/95/1020569295.db2.gz FXRTZVXYRUXTPF-UHFFFAOYSA-N 0 3 302.377 3.537 20 30 DHEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000303593535 1020585054 /nfs/dbraw/zinc/58/50/54/1020585054.db2.gz SSXVMPMNNGYZTE-UZLBHIALSA-N 0 3 323.440 3.708 20 30 DHEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)c(F)c1)CCC2 ZINC000404570611 1020591986 /nfs/dbraw/zinc/59/19/86/1020591986.db2.gz IBTUCTYPTAIGNN-IBGZPJMESA-N 0 3 310.372 3.873 20 30 DHEDHN C=CCN1CC[C@H](N[C@@H](CC(C)(C)C)c2ccccc2)C1=O ZINC000337182198 1032912610 /nfs/dbraw/zinc/91/26/10/1032912610.db2.gz MWBWNDWZMNAGDT-IRXDYDNUSA-N 0 3 300.446 3.540 20 30 DHEDHN CC(C)(C#N)CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000612587930 1020634092 /nfs/dbraw/zinc/63/40/92/1020634092.db2.gz GKPWULRVZKDFIE-UHFFFAOYSA-N 0 3 323.843 3.583 20 30 DHEDHN CCCCCCN(C)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000735657997 1020761413 /nfs/dbraw/zinc/76/14/13/1020761413.db2.gz QMXYSFNPSRZIKF-INIZCTEOSA-N 0 3 321.852 3.533 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3ccccc3F)nc21 ZINC000735792587 1020766813 /nfs/dbraw/zinc/76/68/13/1020766813.db2.gz MRIGSTKTSPRBPZ-OCCSQVGLSA-N 0 3 321.355 3.990 20 30 DHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H](C)c3ccccc3F)[nH]c21 ZINC000735792587 1020766827 /nfs/dbraw/zinc/76/68/27/1020766827.db2.gz MRIGSTKTSPRBPZ-OCCSQVGLSA-N 0 3 321.355 3.990 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3ccccc3F)nc21 ZINC000735792588 1020768086 /nfs/dbraw/zinc/76/80/86/1020768086.db2.gz MRIGSTKTSPRBPZ-TZMCWYRMSA-N 0 3 321.355 3.990 20 30 DHEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H](C)c3ccccc3F)[nH]c21 ZINC000735792588 1020768094 /nfs/dbraw/zinc/76/80/94/1020768094.db2.gz MRIGSTKTSPRBPZ-TZMCWYRMSA-N 0 3 321.355 3.990 20 30 DHEDHN COc1ccc2c(c1)C(N=Nc1ccnc3ccccc13)CCC2 ZINC000741841322 1021060665 /nfs/dbraw/zinc/06/06/65/1021060665.db2.gz BZDGKNTYPFCWIN-UHFFFAOYSA-N 0 3 317.392 3.818 20 30 DHEDHN CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](C)C(C)C ZINC000177176788 1021220106 /nfs/dbraw/zinc/22/01/06/1021220106.db2.gz RDUZZWUCKOOIPN-GFCCVEGCSA-N 0 3 307.463 3.542 20 30 DHEDHN C[C@H](NCc1cccc(Cn2cccn2)c1)c1cccc(C#N)c1 ZINC000181548051 1021242794 /nfs/dbraw/zinc/24/27/94/1021242794.db2.gz AJYWWHWPWFQBAT-INIZCTEOSA-N 0 3 316.408 3.654 20 30 DHEDHN N#Cc1ccc(-c2ccn(CN3CCC4(CCCC4)C3)n2)cc1 ZINC000743389671 1021282147 /nfs/dbraw/zinc/28/21/47/1021282147.db2.gz GEFKJLRJICDNKW-UHFFFAOYSA-N 0 3 306.413 3.645 20 30 DHEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1cccc(C#N)c1 ZINC000743497397 1021305791 /nfs/dbraw/zinc/30/57/91/1021305791.db2.gz YCZAAQCRLUYQNS-LSDHHAIUSA-N 0 3 305.381 3.700 20 30 DHEDHN CN(C)c1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000850099193 1021420561 /nfs/dbraw/zinc/42/05/61/1021420561.db2.gz GXSAFKXXMYRBMK-UHFFFAOYSA-N 0 3 323.415 3.737 20 30 DHEDHN CC[C@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C#N)cc1 ZINC000618568509 1021426596 /nfs/dbraw/zinc/42/65/96/1021426596.db2.gz YJJZINTWDKHUGD-LRDDRELGSA-N 0 3 320.396 3.942 20 30 DHEDHN N#CC1(c2ccc(CN[C@@H](CCO)c3cccs3)cc2)CC1 ZINC000850154881 1021427423 /nfs/dbraw/zinc/42/74/23/1021427423.db2.gz GCEHHRNGLYZQBU-INIZCTEOSA-N 0 3 312.438 3.517 20 30 DHEDHN N#CC(C(=O)C=Cc1nc2ccccc2s1)c1ccccn1 ZINC000069952319 1021442543 /nfs/dbraw/zinc/44/25/43/1021442543.db2.gz BJHYRAGMFJEXPP-BCPZQOPPSA-N 0 3 305.362 3.581 20 30 DHEDHN C#CC[C@H](NCc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1 ZINC000850225320 1021445208 /nfs/dbraw/zinc/44/52/08/1021445208.db2.gz BKLPDJUYLQHHJC-SFTDATJTSA-N 0 3 321.420 3.709 20 30 DHEDHN CCOc1ccc(CNCc2ccc(OC)c(C#N)c2)c(C)c1 ZINC000850221100 1021445735 /nfs/dbraw/zinc/44/57/35/1021445735.db2.gz ASQHXRZNZYRFRP-UHFFFAOYSA-N 0 3 310.397 3.564 20 30 DHEDHN C[C@H](Nc1ccc(/N=C/N(C)C)c(C#N)c1)c1cccc(C#N)c1 ZINC001167711126 1021462679 /nfs/dbraw/zinc/46/26/79/1021462679.db2.gz XFWZUOLTFYOEIV-KOUDTOEKSA-N 0 3 317.396 3.824 20 30 DHEDHN C=C(C)COc1cccc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000589701118 1021479318 /nfs/dbraw/zinc/47/93/18/1021479318.db2.gz GLWYJVNOOCNTFJ-JYJNAYRXSA-N 0 3 316.445 3.841 20 30 DHEDHN CC(C)(C#N)c1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850373604 1021496872 /nfs/dbraw/zinc/49/68/72/1021496872.db2.gz ICKKFKMRRXNQSG-MOPGFXCFSA-N 0 3 306.409 3.756 20 30 DHEDHN COc1ccc2c(c1)[C@@H](N[C@H]1CCc3cc(C#N)ccc31)CC2 ZINC000618804210 1021532029 /nfs/dbraw/zinc/53/20/29/1021532029.db2.gz KJSIFXGCZAYBLR-PMACEKPBSA-N 0 3 304.393 3.831 20 30 DHEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@]1(C)CCCO1 ZINC000556119048 1021541986 /nfs/dbraw/zinc/54/19/86/1021541986.db2.gz ZMPZCBRSUBZNPV-XJKSGUPXSA-N 0 3 311.347 3.604 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(C(F)F)nc2)cc1 ZINC000850472679 1021554949 /nfs/dbraw/zinc/55/49/49/1021554949.db2.gz LVYMCCXEVPZYRX-ZDUSSCGKSA-N 0 3 316.351 3.882 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000850473560 1021555357 /nfs/dbraw/zinc/55/53/57/1021555357.db2.gz ZLQINRGXUCHKPY-MRXNPFEDSA-N 0 3 321.420 3.874 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@@H](O)c2ccccc21 ZINC000850529377 1021582284 /nfs/dbraw/zinc/58/22/84/1021582284.db2.gz QWWNVBUOZXMNHH-SLFFLAALSA-N 0 3 304.393 3.704 20 30 DHEDHN C[C@@H]1CCC[C@@](C/N=C/c2cc(Cl)ccc2[O-])([NH+](C)C)C1 ZINC000918712970 1021628433 /nfs/dbraw/zinc/62/84/33/1021628433.db2.gz GGPCNNLZFACXOQ-PZIHLRSNSA-N 0 3 308.853 3.975 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC(C2CC2)CC1 ZINC000850738845 1021631681 /nfs/dbraw/zinc/63/16/81/1021631681.db2.gz QMAGASQETWDFON-UYSNPLJNSA-N 0 3 321.424 3.966 20 30 DHEDHN N#CC(C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccccn1 ZINC000850756069 1021642072 /nfs/dbraw/zinc/64/20/72/1021642072.db2.gz MBFMVHFCXSHWGW-SQNIBIBYSA-N 0 3 304.393 3.917 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]2Cn2cnc3ccccc32)s1 ZINC000290289174 1021695429 /nfs/dbraw/zinc/69/54/29/1021695429.db2.gz AEQUJZLZKLOXRI-CQSZACIVSA-N 0 3 322.437 3.634 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000556518050 1021751973 /nfs/dbraw/zinc/75/19/73/1021751973.db2.gz CTUBTUJYQWTION-DLBZAZTESA-N 0 3 323.358 3.700 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000851204117 1021778056 /nfs/dbraw/zinc/77/80/56/1021778056.db2.gz JYJMKRJHVHUQQC-HNNXBMFYSA-N 0 3 314.429 3.768 20 30 DHEDHN CCOc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748408 1021887296 /nfs/dbraw/zinc/88/72/96/1021887296.db2.gz DKVCXVHLBJYSII-UHFFFAOYSA-N 0 3 300.789 3.900 20 30 DHEDHN C=CCOc1ccc(CN[C@H]2CCC(=O)Nc3ccccc32)cc1 ZINC000556912885 1021946081 /nfs/dbraw/zinc/94/60/81/1021946081.db2.gz NZRDXBNFHJCFFJ-SFHVURJKSA-N 0 3 322.408 3.815 20 30 DHEDHN CCOCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000178257398 1021949342 /nfs/dbraw/zinc/94/93/42/1021949342.db2.gz ITVVXFKCZWXAFL-CYBMUJFWSA-N 0 3 312.369 3.601 20 30 DHEDHN C=CCN(CC1CCCCC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415993657 1022059850 /nfs/dbraw/zinc/05/98/50/1022059850.db2.gz FTEOTDZPTVTZNJ-UHFFFAOYSA-N 0 3 313.445 3.890 20 30 DHEDHN CN(C)Cc1cccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000153479655 1022069931 /nfs/dbraw/zinc/06/99/31/1022069931.db2.gz MUJHZCALKZXDJH-IBGZPJMESA-N 0 3 321.424 3.523 20 30 DHEDHN N#Cc1ccc(CN2C[C@@H]3CCCC[C@H]3C2)c(Br)c1 ZINC000481030053 1022089276 /nfs/dbraw/zinc/08/92/76/1022089276.db2.gz DMMFDQRIJWQFOL-KBPBESRZSA-N 0 3 319.246 3.943 20 30 DHEDHN CC(=NN[C@@H](C)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000920386309 1022114404 /nfs/dbraw/zinc/11/44/04/1022114404.db2.gz WTBMVGUJUWHMHV-INIZCTEOSA-N 0 3 323.440 3.598 20 30 DHEDHN CCCCCCCCN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746472474 1022125342 /nfs/dbraw/zinc/12/53/42/1022125342.db2.gz QFVXNTXAIQOAMC-HZPDHXFCSA-N 0 3 303.512 3.635 20 30 DHEDHN CC(C)c1cc(CNc2ccc(/N=C/N(C)C)c(C#N)c2)on1 ZINC001168827716 1022146541 /nfs/dbraw/zinc/14/65/41/1022146541.db2.gz KMZIUKVMDMUHRB-RGVLZGJSSA-N 0 3 311.389 3.503 20 30 DHEDHN CCCCCCCC[C@@H](C)C(=O)Nc1nn(C)c(C)c1CN ZINC000852898964 1022186664 /nfs/dbraw/zinc/18/66/64/1022186664.db2.gz CLEBMCNHAKFQRL-CYBMUJFWSA-N 0 3 308.470 3.512 20 30 DHEDHN Cc1nc(C=NNc2cccc(Cl)c2F)c2ccccn12 ZINC000921137946 1022217883 /nfs/dbraw/zinc/21/78/83/1022217883.db2.gz VHGXXPIRNNJACG-UHFFFAOYSA-N 0 3 302.740 3.881 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccncc3)C2)c(Cl)c1 ZINC000615231233 1022254103 /nfs/dbraw/zinc/25/41/03/1022254103.db2.gz IIBLALQCKFDGPX-INIZCTEOSA-N 0 3 311.816 3.671 20 30 DHEDHN CC[C@H](C)[C@H](NC#C[Si](C(C)C)(C(C)C)C(C)C)C(N)=O ZINC001169159220 1022284393 /nfs/dbraw/zinc/28/43/93/1022284393.db2.gz PVHQSZLGLFIQCL-HOTGVXAUSA-N 0 3 310.558 3.655 20 30 DHEDHN N#Cc1ccc2c(c1)CCN([C@@H]1CSc3ccccc3C1)C2 ZINC001172195242 1033053451 /nfs/dbraw/zinc/05/34/51/1033053451.db2.gz GUNCBTFRIGTFPT-SFHVURJKSA-N 0 3 306.434 3.633 20 30 DHEDHN N#Cc1ccc2c(c1)CN([C@H]1CSc3ccccc3C1)CC2 ZINC001172194100 1033054487 /nfs/dbraw/zinc/05/44/87/1033054487.db2.gz AWRLNSHVUZVBTK-GOSISDBHSA-N 0 3 306.434 3.633 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001169540647 1022444693 /nfs/dbraw/zinc/44/46/93/1022444693.db2.gz NPRBDHBBXMFLRT-IMFGXOCKSA-N 0 3 314.473 3.616 20 30 DHEDHN N#CC(C(=O)CCc1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000766839596 1022552271 /nfs/dbraw/zinc/55/22/71/1022552271.db2.gz AVDYKBSBJIHGQF-CQSZACIVSA-N 0 3 318.298 3.909 20 30 DHEDHN C#CCOc1ccc(CNCc2cccc(OC(F)F)c2)cc1 ZINC000113336952 1022635418 /nfs/dbraw/zinc/63/54/18/1022635418.db2.gz WWSBXJDWYWDVED-UHFFFAOYSA-N 0 3 317.335 3.590 20 30 DHEDHN C[C@@]1(Cc2ccccc2F)CCCN1Cc1cncc(C#N)c1 ZINC000930817883 1022697361 /nfs/dbraw/zinc/69/73/61/1022697361.db2.gz ZWWAQIVZNZCGAI-IBGZPJMESA-N 0 3 309.388 3.690 20 30 DHEDHN C[C@H](N[C@@H](CCC#N)c1ccccc1)C1(Br)CC1 ZINC000925602944 1022732318 /nfs/dbraw/zinc/73/23/18/1022732318.db2.gz YFQYRTDEGKBITB-JSGCOSHPSA-N 0 3 307.235 3.937 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(N(C)C)cc2)c1 ZINC000113961758 1022765722 /nfs/dbraw/zinc/76/57/22/1022765722.db2.gz TXWOVGKRUUAIPQ-LJQANCHMSA-N 0 3 323.440 3.723 20 30 DHEDHN C=CCC[C@H](C(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617008761 1022825891 /nfs/dbraw/zinc/82/58/91/1022825891.db2.gz LOCKHAZSKACMGW-MSOLQXFVSA-N 0 3 314.473 3.725 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000768003584 1022857680 /nfs/dbraw/zinc/85/76/80/1022857680.db2.gz PWRYDRGQXMSVIS-OAHLLOKOSA-N 0 3 305.418 3.637 20 30 DHEDHN N#Cc1ccc(Br)c(CN2CCC[C@@H]2C2CC2)c1 ZINC000617196440 1022885880 /nfs/dbraw/zinc/88/58/80/1022885880.db2.gz JNBIZOQOFFGIDD-OAHLLOKOSA-N 0 3 305.219 3.695 20 30 DHEDHN C=CCC[C@H](NCC(OC)OC)c1ccc(C(F)(F)F)cc1 ZINC000781905202 1022929885 /nfs/dbraw/zinc/92/98/85/1022929885.db2.gz SOJVZBXLTZIAOY-AWEZNQCLSA-N 0 3 317.351 3.921 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1SC(F)(F)F ZINC000876577495 1033094287 /nfs/dbraw/zinc/09/42/87/1033094287.db2.gz BDSLGYMWZUQHBN-QMMMGPOBSA-N 0 3 324.755 3.707 20 30 DHEDHN C[C@H](N)c1nc2ccccc2n1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172290962 1033096935 /nfs/dbraw/zinc/09/69/35/1033096935.db2.gz UMDMGVWADJETJW-KBPBESRZSA-N 0 3 304.397 3.731 20 30 DHEDHN CC(C)(C)OC(=O)[C@]1(C)CCCN1CC1CCC(C#N)CC1 ZINC000931111156 1022983167 /nfs/dbraw/zinc/98/31/67/1022983167.db2.gz FHHJLPJARRJBRF-JMLCCBQJSA-N 0 3 306.450 3.513 20 30 DHEDHN C=CCN(Cc1ccc(N(C)C)cc1)Cc1cccc(C#N)c1 ZINC000769104507 1023091853 /nfs/dbraw/zinc/09/18/53/1023091853.db2.gz IBVFEBOISRDLPN-UHFFFAOYSA-N 0 3 305.425 3.812 20 30 DHEDHN C#CCN(CC)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000769103693 1023092270 /nfs/dbraw/zinc/09/22/70/1023092270.db2.gz AKLDCFOHRJNDCH-UHFFFAOYSA-N 0 3 309.409 3.826 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000876605724 1033104443 /nfs/dbraw/zinc/10/44/43/1033104443.db2.gz WRZOVMASBYTSBC-JKSUJKDBSA-N 0 3 324.827 3.643 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1[C@@H](CC)c1ccccc1 ZINC000876628610 1033108924 /nfs/dbraw/zinc/10/89/24/1033108924.db2.gz KUOSKLBPBJPEFJ-ULQDDVLXSA-N 0 3 320.864 3.641 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1[C@H](CC)c1ccccc1 ZINC000876628608 1033110507 /nfs/dbraw/zinc/11/05/07/1033110507.db2.gz KUOSKLBPBJPEFJ-IKGGRYGDSA-N 0 3 320.864 3.641 20 30 DHEDHN Cc1ccc(O)c(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000769548196 1023177525 /nfs/dbraw/zinc/17/75/25/1023177525.db2.gz HZBQQEAONMBAFJ-MOPGFXCFSA-N 0 3 306.409 3.972 20 30 DHEDHN CC(C)(C)OC(=O)N[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000769709054 1023198383 /nfs/dbraw/zinc/19/83/83/1023198383.db2.gz QBJCHHHZBOCEMI-HNNXBMFYSA-N 0 3 323.481 3.696 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000876650298 1033115596 /nfs/dbraw/zinc/11/55/96/1033115596.db2.gz ANHCXKQGNPLQMG-ZYHUDNBSSA-N 0 3 308.834 3.548 20 30 DHEDHN C#C[C@@H](C)N(C)CCSc1ccnc2cc(Cl)ccc21 ZINC000769962303 1023246764 /nfs/dbraw/zinc/24/67/64/1023246764.db2.gz WQTPBFTXULYCBP-GFCCVEGCSA-N 0 3 304.846 3.934 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000876670882 1033119904 /nfs/dbraw/zinc/11/99/04/1033119904.db2.gz HCYZRYZBWYOSSW-KWQFWETISA-N 0 3 321.635 3.641 20 30 DHEDHN Cc1cccc([O-])c1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000876691976 1033125883 /nfs/dbraw/zinc/12/58/83/1033125883.db2.gz KNGQABOWYVSLHI-UHFFFAOYSA-N 0 3 322.408 3.616 20 30 DHEDHN CO[C@H](CNCc1cc(C#N)cs1)c1ccccc1Cl ZINC000124970360 1023383815 /nfs/dbraw/zinc/38/38/15/1023383815.db2.gz DBXMQSWZFHESMZ-OAHLLOKOSA-N 0 3 306.818 3.750 20 30 DHEDHN CCCCCCC[C@H](CC)N1CC(N2CCOC(C)(C)C2)C1 ZINC001172356578 1033137495 /nfs/dbraw/zinc/13/74/95/1033137495.db2.gz XIPNTANCVJZFDG-KRWDZBQOSA-N 0 3 310.526 3.921 20 30 DHEDHN C=CC[C@H]1CC[C@@H](NCc2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000651749864 1023513989 /nfs/dbraw/zinc/51/39/89/1023513989.db2.gz LVGGSBHFLNMGPF-WCQYABFASA-N 0 3 324.350 3.583 20 30 DHEDHN Cc1nn(-c2ccccc2Cl)cc1CNCC(C)(C)CC#N ZINC000594507368 1023591593 /nfs/dbraw/zinc/59/15/93/1023591593.db2.gz KWQVQZYPGSEKFW-UHFFFAOYSA-N 0 3 316.836 3.864 20 30 DHEDHN CSC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)CCC1 ZINC000786402736 1023689387 /nfs/dbraw/zinc/68/93/87/1023689387.db2.gz RKBWKGAARWUMKK-SNVBAGLBSA-N 0 3 320.414 3.897 20 30 DHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(OCC#N)cc1 ZINC000787026684 1023749875 /nfs/dbraw/zinc/74/98/75/1023749875.db2.gz NTDLBVCIWCTOBP-XOBRGWDASA-N 0 3 317.392 3.799 20 30 DHEDHN C#CCOc1ccc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000787769765 1023819756 /nfs/dbraw/zinc/81/97/56/1023819756.db2.gz IKHZXDWGHIJNKC-HXUWFJFHSA-N 0 3 323.436 3.548 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000662079786 1023889525 /nfs/dbraw/zinc/88/95/25/1023889525.db2.gz NCKREBGARHXTNG-SOUVJXGZSA-N 0 3 318.848 3.700 20 30 DHEDHN N#Cc1cccc(CN2CCC(OCc3ccc(F)cc3)CC2)c1 ZINC000091888851 1023918957 /nfs/dbraw/zinc/91/89/57/1023918957.db2.gz HAWCPFQWDQQAGM-UHFFFAOYSA-N 0 3 324.399 3.879 20 30 DHEDHN C=C(Cl)COC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772725118 1023937628 /nfs/dbraw/zinc/93/76/28/1023937628.db2.gz RZEMCXMNSJMUIP-UHFFFAOYSA-N 0 3 307.821 3.584 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCCCSc2ccccc2)c1 ZINC000876881120 1033176492 /nfs/dbraw/zinc/17/64/92/1033176492.db2.gz AZPLYBHCFKVXEN-UHFFFAOYSA-N 0 3 317.845 3.879 20 30 DHEDHN C#CCSCCN[C@H](C)c1sccc1Br ZINC000130020819 1024121916 /nfs/dbraw/zinc/12/19/16/1024121916.db2.gz VMTIGAVRHJFDFH-SECBINFHSA-N 0 3 304.278 3.528 20 30 DHEDHN C#CCn1ccc(CN(CC)[C@H]2CC[C@](C)(c3ccccc3)C2)n1 ZINC000789759223 1024158423 /nfs/dbraw/zinc/15/84/23/1024158423.db2.gz QGXQQLSNNZWPNU-SFTDATJTSA-N 0 3 321.468 3.849 20 30 DHEDHN N#Cc1cccc(OCCCN2CCC[C@H]2c2ccccn2)c1 ZINC000531658525 1024259408 /nfs/dbraw/zinc/25/94/08/1024259408.db2.gz DLQUIEMMXSXQOB-IBGZPJMESA-N 0 3 307.397 3.559 20 30 DHEDHN C=CCC[C@@H](COc1ccccc1)N[C@H](C)c1nccnc1C ZINC000883244703 1024315279 /nfs/dbraw/zinc/31/52/79/1024315279.db2.gz UPEMIPLWQJAWOA-SJORKVTESA-N 0 3 311.429 3.849 20 30 DHEDHN C#CCSCCNCc1ccc(-c2cccc(F)c2F)o1 ZINC000790967468 1024409438 /nfs/dbraw/zinc/40/94/38/1024409438.db2.gz WPCPUOQCFNRAEO-UHFFFAOYSA-N 0 3 307.365 3.681 20 30 DHEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000883393278 1024424262 /nfs/dbraw/zinc/42/42/62/1024424262.db2.gz ZCJPEEWPAQSAOC-JKSUJKDBSA-N 0 3 312.413 3.852 20 30 DHEDHN COc1ccccc1C[C@@H](C)N(C)Cc1ccc(C#N)s1 ZINC000271153903 1024464340 /nfs/dbraw/zinc/46/43/40/1024464340.db2.gz GUZBDLKJYZALAO-CYBMUJFWSA-N 0 3 300.427 3.691 20 30 DHEDHN C=CCC1(C[NH2+][C@H](c2cccs2)c2nnc[n-]2)CCCC1 ZINC000453382404 1024482847 /nfs/dbraw/zinc/48/28/47/1024482847.db2.gz RZSLVWUISWRQQF-CQSZACIVSA-N 0 3 302.447 3.682 20 30 DHEDHN C=CCC1(NCc2c(Cl)ncnc2N(C)C)CCCCC1 ZINC000859744712 1033217486 /nfs/dbraw/zinc/21/74/86/1033217486.db2.gz OXWMNOIAZMDPQI-UHFFFAOYSA-N 0 3 308.857 3.565 20 30 DHEDHN C=C(CN[C@@H](C)c1cnc2cc(C)nn2c1C)c1ccccc1 ZINC000271627550 1024554725 /nfs/dbraw/zinc/55/47/25/1024554725.db2.gz ZMMKZNGQTIUTJQ-HNNXBMFYSA-N 0 3 306.413 3.710 20 30 DHEDHN N#CCOc1ccc(CN2CCC3(CC(F)(F)C3)CC2)cc1 ZINC001137115387 1033223086 /nfs/dbraw/zinc/22/30/86/1033223086.db2.gz LNKBWBSHHAJFHR-UHFFFAOYSA-N 0 3 306.356 3.600 20 30 DHEDHN C[C@H](CCCC#N)NCc1cn(Cc2ccc(Cl)cc2)cn1 ZINC001172489038 1033223447 /nfs/dbraw/zinc/22/34/47/1033223447.db2.gz YHSBAGNKIAXZOG-CQSZACIVSA-N 0 3 316.836 3.757 20 30 DHEDHN C=CCc1cc(CN[C@H](C)c2ccc(C#N)cc2)cc(OC)c1O ZINC000264983991 1033225444 /nfs/dbraw/zinc/22/54/44/1033225444.db2.gz VIISFAPBKGAQEO-CQSZACIVSA-N 0 3 322.408 3.852 20 30 DHEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)c1ccc(F)cc1F ZINC000877068259 1033226832 /nfs/dbraw/zinc/22/68/32/1033226832.db2.gz SRXODZIIQHBSOX-JTQLQIEISA-N 0 3 321.758 3.778 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cc(OC)ccc1O ZINC000179802147 1024696045 /nfs/dbraw/zinc/69/60/45/1024696045.db2.gz XNRFEQDNUUZHGN-UHFFFAOYSA-N 0 3 313.397 3.598 20 30 DHEDHN CCC[C@H]1CN([C@@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172499077 1033230542 /nfs/dbraw/zinc/23/05/42/1033230542.db2.gz UWNGZJXHMWRSJE-HOTGVXAUSA-N 0 3 323.481 3.790 20 30 DHEDHN C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)NC[C@H](C)C#N ZINC000224246353 1024729478 /nfs/dbraw/zinc/72/94/78/1024729478.db2.gz KFACPPYWLIXTGK-OAGGEKHMSA-N 0 3 323.481 3.694 20 30 DHEDHN C[C@H]1CCN(C2CCC(C#N)(c3ccccc3)CC2)CCC1=O ZINC001170378920 1024765610 /nfs/dbraw/zinc/76/56/10/1024765610.db2.gz NQVGFLLBXBTILO-VQSBYGRUSA-N 0 3 310.441 3.692 20 30 DHEDHN C[C@@H](CCCC#N)N1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001172504769 1033235380 /nfs/dbraw/zinc/23/53/80/1033235380.db2.gz IQSKMNWYUCXYTA-HOTGVXAUSA-N 0 3 303.425 3.587 20 30 DHEDHN CC(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(C#N)cc1 ZINC000350661640 1024836274 /nfs/dbraw/zinc/83/62/74/1024836274.db2.gz RAGZUPZFJALFHS-UHFFFAOYSA-N 0 3 310.445 3.994 20 30 DHEDHN COc1cc(CNCc2cccc(OC(C)C)c2)ccc1C#N ZINC000353212394 1024984784 /nfs/dbraw/zinc/98/47/84/1024984784.db2.gz QOBYAEKVNNPZLQ-UHFFFAOYSA-N 0 3 310.397 3.644 20 30 DHEDHN CC(C)C(CN1CCO[C@H](c2cccc(C#N)c2)C1)C(C)C ZINC000793586407 1025116016 /nfs/dbraw/zinc/11/60/16/1025116016.db2.gz DOFGMIOQKOTNRW-IBGZPJMESA-N 0 3 300.446 3.860 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CC(CC)(CC)OC)c([O-])c1 ZINC000793666597 1025142069 /nfs/dbraw/zinc/14/20/69/1025142069.db2.gz HDSPQRDCORSPEN-CPNJWEJPSA-N 0 3 306.450 3.863 20 30 DHEDHN C[C@@H]1CN(Cc2cccc(C#N)c2)[C@H](C)CN1Cc1ccccc1 ZINC001168193576 1025173945 /nfs/dbraw/zinc/17/39/45/1025173945.db2.gz RQYWSOOQNDDDNN-QZTJIDSGSA-N 0 3 319.452 3.653 20 30 DHEDHN N#Cc1ccccc1CSCCNCc1ccc(Cl)cn1 ZINC000885906021 1025401572 /nfs/dbraw/zinc/40/15/72/1025401572.db2.gz SWTHKAKOEUSJQE-UHFFFAOYSA-N 0 3 317.845 3.630 20 30 DHEDHN CC[C@H]1c2ccsc2CCN1C[C@@H](O)CC1(C#N)CCC1 ZINC000885956460 1025420329 /nfs/dbraw/zinc/42/03/29/1025420329.db2.gz QCAKXFQNPCVODU-ZFWWWQNUSA-N 0 3 304.459 3.502 20 30 DHEDHN C=CCCCCCN1CCCC[C@@]12CC(=O)N([C@@H](C)CC)C2 ZINC001275323441 1025422428 /nfs/dbraw/zinc/42/24/28/1025422428.db2.gz BJAAFKMMZUUSFX-HKUYNNGSSA-N 0 3 306.494 3.988 20 30 DHEDHN N#CC(C(=O)c1cccc(Oc2ccccc2)c1)c1ccncn1 ZINC000354466985 1025437027 /nfs/dbraw/zinc/43/70/27/1025437027.db2.gz KPHHJLPIOUXLFH-QGZVFWFLSA-N 0 3 315.332 3.759 20 30 DHEDHN C[C@@H](NC[C@@H]1CCC2(CCC2)CO1)c1ccc(C#N)cc1F ZINC000886125358 1025517477 /nfs/dbraw/zinc/51/74/77/1025517477.db2.gz PHMQFWJXRDTFHI-HIFRSBDPSA-N 0 3 302.393 3.697 20 30 DHEDHN C=C(C)[C@H](NC[C@H](O)CC1(C#N)CCC1)c1ccc(F)c(F)c1 ZINC000886140158 1025525287 /nfs/dbraw/zinc/52/52/87/1025525287.db2.gz AYNGPFHFYUKWOQ-PBHICJAKSA-N 0 3 320.383 3.616 20 30 DHEDHN N#CC1(c2ccccc2)CC(N[C@@H](CCCO)c2ccccc2)C1 ZINC000127322451 1025535935 /nfs/dbraw/zinc/53/59/35/1025535935.db2.gz ZXZZBLXUWGEMMA-KBWCOIMZSA-N 0 3 320.436 3.714 20 30 DHEDHN C=CCSCCN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000540968519 1025575719 /nfs/dbraw/zinc/57/57/19/1025575719.db2.gz PZKHWWQTXAGEIY-AWEZNQCLSA-N 0 3 319.392 3.902 20 30 DHEDHN C#CC[C@@H]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000886360308 1025601850 /nfs/dbraw/zinc/60/18/50/1025601850.db2.gz UEDINUJWZHQFMH-QGZVFWFLSA-N 0 3 318.420 3.637 20 30 DHEDHN C#CCC1(NCc2ccc(Oc3ccccc3)o2)CCOCC1 ZINC000886378891 1025611284 /nfs/dbraw/zinc/61/12/84/1025611284.db2.gz FITUMLTYHCIZRX-UHFFFAOYSA-N 0 3 311.381 3.734 20 30 DHEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H](CO)c1ccccc1 ZINC000614164784 1025788346 /nfs/dbraw/zinc/78/83/46/1025788346.db2.gz ZFKCQPHWOOMBRD-IBGZPJMESA-N 0 3 308.425 3.653 20 30 DHEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCc2c1cnn2C ZINC000614176151 1025811713 /nfs/dbraw/zinc/81/17/13/1025811713.db2.gz MIXRTYZYSIASOL-GOSISDBHSA-N 0 3 322.456 3.731 20 30 DHEDHN CC(C)[C@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075747721 1025850263 /nfs/dbraw/zinc/85/02/63/1025850263.db2.gz YTHOGEKQLFNJIN-MRXNPFEDSA-N 0 3 310.401 3.619 20 30 DHEDHN C=CCCCN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000076486376 1025875196 /nfs/dbraw/zinc/87/51/96/1025875196.db2.gz JASCFIXIYFBPCF-UHFFFAOYSA-N 0 3 300.402 3.533 20 30 DHEDHN C=CCC1(O)CCN(Cc2ccc(Cl)c3cccnc23)CC1 ZINC000886764288 1025884046 /nfs/dbraw/zinc/88/40/46/1025884046.db2.gz POYVVTZRHBYSNI-UHFFFAOYSA-N 0 3 316.832 3.791 20 30 DHEDHN C=CCC1(O)CCN(Cc2ccc3ccc(Cl)cc3n2)CC1 ZINC000886780721 1025901363 /nfs/dbraw/zinc/90/13/63/1025901363.db2.gz XQBYZOAFABBVIV-UHFFFAOYSA-N 0 3 316.832 3.791 20 30 DHEDHN CN(Cc1ccc(F)c(Cl)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763823020 1026015988 /nfs/dbraw/zinc/01/59/88/1026015988.db2.gz GWIKRLFUTWOECL-KRWDZBQOSA-N 0 3 318.779 3.516 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000454458913 1026100358 /nfs/dbraw/zinc/10/03/58/1026100358.db2.gz GDMNOYURXMSYKA-YESZJQIVSA-N 0 3 321.509 3.541 20 30 DHEDHN C#CCSCCN[C@H](C)c1cc(Br)ccc1F ZINC000222111371 1026135641 /nfs/dbraw/zinc/13/56/41/1026135641.db2.gz WJGJDQLUGWLRLY-SNVBAGLBSA-N 0 3 316.239 3.605 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000532976449 1026159594 /nfs/dbraw/zinc/15/95/94/1026159594.db2.gz ADMCWETZOWUOJB-GFCCVEGCSA-N 0 3 314.351 3.930 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCCSC1 ZINC000808429930 1026300560 /nfs/dbraw/zinc/30/05/60/1026300560.db2.gz AATDTKWUOKSTQV-ZDUSSCGKSA-N 0 3 309.862 3.585 20 30 DHEDHN CCC[C@H](C)N(C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747524339 1026376349 /nfs/dbraw/zinc/37/63/49/1026376349.db2.gz IKLWDVUAOVKOFC-KRWDZBQOSA-N 0 3 315.461 3.671 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCCN(c2ccccc2F)CC1 ZINC000513401366 1026496238 /nfs/dbraw/zinc/49/62/38/1026496238.db2.gz LYTQAQMFJUJBHG-INIZCTEOSA-N 0 3 323.415 3.971 20 30 DHEDHN C#Cc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000809538261 1026546577 /nfs/dbraw/zinc/54/65/77/1026546577.db2.gz LSPHJUIVYDILAE-FQEVSTJZSA-N 0 3 321.420 3.555 20 30 DHEDHN C#Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000809538261 1026546584 /nfs/dbraw/zinc/54/65/84/1026546584.db2.gz LSPHJUIVYDILAE-FQEVSTJZSA-N 0 3 321.420 3.555 20 30 DHEDHN C=CCOc1ccccc1CNCCO[C@@H]1CCCC[C@@H]1C ZINC000513643453 1026553840 /nfs/dbraw/zinc/55/38/40/1026553840.db2.gz OVORJVYRMHFEKA-FUHWJXTLSA-N 0 3 303.446 3.936 20 30 DHEDHN C#Cc1ccc(CN2CCC(Oc3ccc(OC)cc3)CC2)cc1 ZINC000809547637 1026557825 /nfs/dbraw/zinc/55/78/25/1026557825.db2.gz QVOPSXCWNAOTQR-UHFFFAOYSA-N 0 3 321.420 3.720 20 30 DHEDHN C#Cc1ccc(CN2CCC(O)(c3cccc(C)c3C)CC2)cc1 ZINC000809583792 1026567309 /nfs/dbraw/zinc/56/73/09/1026567309.db2.gz QRSRMZXGDRMWAX-UHFFFAOYSA-N 0 3 319.448 3.768 20 30 DHEDHN C#C[C@@H](C)NCc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000809682733 1026591519 /nfs/dbraw/zinc/59/15/19/1026591519.db2.gz AAZHGHKDZRGLRS-OAHLLOKOSA-N 0 3 321.449 3.771 20 30 DHEDHN Cc1nc2c(s1)[C@@H](N[C@@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000810235714 1026717146 /nfs/dbraw/zinc/71/71/46/1026717146.db2.gz UKJSLYXVJDXKSO-WBVHZDCISA-N 0 3 309.438 3.978 20 30 DHEDHN C=CCC[C@@H](NCCNC(=O)c1ccc(C)cc1)c1ccco1 ZINC000513707716 1026754827 /nfs/dbraw/zinc/75/48/27/1026754827.db2.gz HZBDEPZLOCUMRO-QGZVFWFLSA-N 0 3 312.413 3.615 20 30 DHEDHN FC(F)(F)c1ccc([C@H]2CCCCC2=Nn2cnnc2)cc1 ZINC000747624024 1026823636 /nfs/dbraw/zinc/82/36/36/1026823636.db2.gz HILBPZIRYZPGAV-CYBMUJFWSA-N 0 3 308.307 3.859 20 30 DHEDHN C=CCOc1cccc(CN2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000414484157 1026902770 /nfs/dbraw/zinc/90/27/70/1026902770.db2.gz JEEABPUJGWAEQI-QUCCMNQESA-N 0 3 309.409 3.559 20 30 DHEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000362268493 1027123625 /nfs/dbraw/zinc/12/36/25/1027123625.db2.gz CJVBYBSPBJBDPE-CQSZACIVSA-N 0 3 310.445 3.863 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000931502664 1027148592 /nfs/dbraw/zinc/14/85/92/1027148592.db2.gz TVKQOJDTQZIURM-CYBMUJFWSA-N 0 3 321.380 3.873 20 30 DHEDHN C=CCSc1ccccc1C(=O)N1CCCN(C(C)C)CC1 ZINC000362391971 1027181811 /nfs/dbraw/zinc/18/18/11/1027181811.db2.gz ZTJLHSOVTRKZPK-UHFFFAOYSA-N 0 3 318.486 3.521 20 30 DHEDHN C=CCCCCCN(C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000572890441 1027237995 /nfs/dbraw/zinc/23/79/95/1027237995.db2.gz CAUUDUHAOZECRO-QGZVFWFLSA-N 0 3 302.462 3.712 20 30 DHEDHN Cc1cc(C#N)ccc1CN1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931914673 1027304870 /nfs/dbraw/zinc/30/48/70/1027304870.db2.gz VYZUABFWIXJWKF-CQSZACIVSA-N 0 3 312.310 3.733 20 30 DHEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)OCO2 ZINC000574798804 1027427765 /nfs/dbraw/zinc/42/77/65/1027427765.db2.gz BWHHBEXOJNFLBS-PXAZEXFGSA-N 0 3 306.365 3.625 20 30 DHEDHN N#CC(C(=O)CCSc1ccc(F)cc1)c1ccccn1 ZINC000046705977 1027434323 /nfs/dbraw/zinc/43/43/23/1027434323.db2.gz CIGVCKKQQHZFNE-CQSZACIVSA-N 0 3 300.358 3.579 20 30 DHEDHN COc1ccc([C@H](CCC#N)NCCN(C)c2ccccc2)cc1 ZINC000562592566 1027516046 /nfs/dbraw/zinc/51/60/46/1027516046.db2.gz KEJBQRUDMKDWLS-FQEVSTJZSA-N 0 3 323.440 3.766 20 30 DHEDHN N#CC(C(=O)C=Cc1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000813215954 1027563960 /nfs/dbraw/zinc/56/39/60/1027563960.db2.gz DBDGTWNNUONNIS-AFNCTOJWSA-N 0 3 316.282 3.990 20 30 DHEDHN C=CCCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944928 1027655775 /nfs/dbraw/zinc/65/57/75/1027655775.db2.gz OLKOCVADSJBZJS-HTQZYQBOSA-N 0 3 323.227 3.665 20 30 DHEDHN CC(C)N(Cc1cnc2c(C#N)cnn2c1)[C@H](C)c1ccccc1 ZINC000576875050 1027672833 /nfs/dbraw/zinc/67/28/33/1027672833.db2.gz HERSCKDYLASEAT-OAHLLOKOSA-N 0 3 319.412 3.573 20 30 DHEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(Cl)cc2C)CCC1 ZINC000933301813 1027713201 /nfs/dbraw/zinc/71/32/01/1027713201.db2.gz UJQHHQOHEMIPMS-CYBMUJFWSA-N 0 3 304.821 3.511 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1cccc(Cl)c1 ZINC000778996967 1027740615 /nfs/dbraw/zinc/74/06/15/1027740615.db2.gz XWEKXWIABYNWCE-QGZVFWFLSA-N 0 3 305.805 3.697 20 30 DHEDHN COc1cncc(/C=C\CCN(C)Cc2cc(C#N)cs2)c1 ZINC000933770339 1027821641 /nfs/dbraw/zinc/82/16/41/1027821641.db2.gz JGQQQYZCEGINGB-HYXAFXHYSA-N 0 3 313.426 3.559 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2cccc(OCC)c2)cc1 ZINC000159388313 1027898485 /nfs/dbraw/zinc/89/84/85/1027898485.db2.gz QEPNJOGBPGYUGL-INIZCTEOSA-N 0 3 309.409 3.948 20 30 DHEDHN Cc1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)ccc1F ZINC000527812135 1027898940 /nfs/dbraw/zinc/89/89/40/1027898940.db2.gz POYNZZGOCBIBCR-UHFFFAOYSA-N 0 3 324.399 3.801 20 30 DHEDHN COc1ccc([C@@H](NCc2ccc(C#N)c(C)c2)C2CC2)cn1 ZINC000527840693 1027915848 /nfs/dbraw/zinc/91/58/48/1027915848.db2.gz INFOQTFSKLZIAS-IBGZPJMESA-N 0 3 307.397 3.511 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCOC23CCCC3)cc1 ZINC000934381103 1027988460 /nfs/dbraw/zinc/98/84/60/1027988460.db2.gz MLMLDCGOEGLBOF-MRXNPFEDSA-N 0 3 323.358 3.748 20 30 DHEDHN N#C[C@H]1CC[C@H](N2CCC(C(=O)c3ccccc3Cl)CC2)C1 ZINC000934418845 1027997216 /nfs/dbraw/zinc/99/72/16/1027997216.db2.gz PSQTZSYOWQYBFO-ZFWWWQNUSA-N 0 3 316.832 3.927 20 30 DHEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccccc2C2CC2)C1=O ZINC001276005275 1028029024 /nfs/dbraw/zinc/02/90/24/1028029024.db2.gz PWGOOYFGHUROJD-NRFANRHFSA-N 0 3 324.468 3.707 20 30 DHEDHN O[C@]1(c2ccccc2)CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000365978968 1028036574 /nfs/dbraw/zinc/03/65/74/1028036574.db2.gz MPTXHXGCHJDJIA-OAQYLSRUSA-N 0 3 323.411 3.551 20 30 DHEDHN N#Cc1ccc(C2(N[C@H]3CCCc4ncccc43)CCC2)cc1 ZINC000601284531 1028060436 /nfs/dbraw/zinc/06/04/36/1028060436.db2.gz JREHFBLJAWLHRU-IBGZPJMESA-N 0 3 303.409 4.000 20 30 DHEDHN COc1ccc(NN=C(C)c2cc(N)ccc2F)cc1Cl ZINC000814902692 1028267731 /nfs/dbraw/zinc/26/77/31/1028267731.db2.gz SYPXSIKPVSRSBY-UHFFFAOYSA-N 0 3 307.756 3.906 20 30 DHEDHN Cn1cc(CN2CCC(CCC#N)CC2)c(C2CCCCC2)n1 ZINC000579241293 1028359456 /nfs/dbraw/zinc/35/94/56/1028359456.db2.gz PMXBTMIQWNWXMH-UHFFFAOYSA-N 0 3 314.477 3.984 20 30 DHEDHN CCC[C@H](C)CC[C@H](C)N1CCC(C#N)(C(=O)OCC)CC1 ZINC001257486262 1028411983 /nfs/dbraw/zinc/41/19/83/1028411983.db2.gz UJVMYGCHSNTEBF-HOTGVXAUSA-N 0 3 308.466 3.760 20 30 DHEDHN N#CCCC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000579475410 1028417780 /nfs/dbraw/zinc/41/77/80/1028417780.db2.gz PSTZUTREJQZKJC-UHFFFAOYSA-N 0 3 312.392 3.732 20 30 DHEDHN CC[C@@H](c1ccccc1O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000369509531 1028495415 /nfs/dbraw/zinc/49/54/15/1028495415.db2.gz KVKPUGPUHIYHQG-ICSRJNTNSA-N 0 3 322.408 3.788 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2csc3ccccc32)nc(C)n1 ZINC000075440574 1028511276 /nfs/dbraw/zinc/51/12/76/1028511276.db2.gz UVWWOFKUKNOOPP-CYBMUJFWSA-N 0 3 307.378 3.798 20 30 DHEDHN CC1(C#N)CCC(N[C@H](CO)c2cccc(Cl)c2F)CC1 ZINC000449307063 1028526739 /nfs/dbraw/zinc/52/67/39/1028526739.db2.gz YNBXBLIZTCKBMO-OFWKBQFLSA-N 0 3 310.800 3.575 20 30 DHEDHN Cc1cc(CN(C)CCOCc2ccc(C#N)cc2)cs1 ZINC000449330383 1028540976 /nfs/dbraw/zinc/54/09/76/1028540976.db2.gz UFAXHJHNWVBKCR-UHFFFAOYSA-N 0 3 300.427 3.577 20 30 DHEDHN C[C@H](NC1CCOCC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370662616 1028632698 /nfs/dbraw/zinc/63/26/98/1028632698.db2.gz MYEYNFPQEBRIGP-LBPRGKRZSA-N 0 3 313.426 3.511 20 30 DHEDHN CN(Cc1cccc(OCCCC#N)c1)[C@@H](CO)c1ccccc1 ZINC000449454026 1028661377 /nfs/dbraw/zinc/66/13/77/1028661377.db2.gz OEFYQNPQNOOKMR-FQEVSTJZSA-N 0 3 324.424 3.535 20 30 DHEDHN CC(=O)c1ccc2c(c1)CCN([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000371043607 1028666423 /nfs/dbraw/zinc/66/64/23/1028666423.db2.gz NZWDCVFYECNCQI-OAHLLOKOSA-N 0 3 318.420 3.923 20 30 DHEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000076826076 1028735518 /nfs/dbraw/zinc/73/55/18/1028735518.db2.gz GWXCLAKZOKBNCD-DOTOQJQBSA-N 0 3 314.429 3.618 20 30 DHEDHN C[C@H](N[C@H]1CCSC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372056350 1028798813 /nfs/dbraw/zinc/79/88/13/1028798813.db2.gz NEPDESPJJAUFDS-FZMZJTMJSA-N 0 3 315.467 3.838 20 30 DHEDHN CCOc1cccc(CN(C)CCOCc2ccc(C#N)cc2)c1 ZINC000567036967 1028823202 /nfs/dbraw/zinc/82/32/02/1028823202.db2.gz OBKLNHBCKLNCGO-UHFFFAOYSA-N 0 3 324.424 3.606 20 30 DHEDHN C[C@@H]1C[C@H](c2ccsc2)CN1Cc1cnc2ccc(C#N)cn12 ZINC000372405884 1028850115 /nfs/dbraw/zinc/85/01/15/1028850115.db2.gz ZRLBPAXUSPXXOH-CJNGLKHVSA-N 0 3 322.437 3.645 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@H](O)CC(C)(C)C2)cc1Cl ZINC000449619741 1028853288 /nfs/dbraw/zinc/85/32/88/1028853288.db2.gz QOCGZISCOXANHQ-OAHLLOKOSA-N 0 3 323.864 3.888 20 30 DHEDHN C=CCC[C@@H](CO)NCc1ccc(-c2c(F)cccc2F)o1 ZINC000449697425 1028917688 /nfs/dbraw/zinc/91/76/88/1028917688.db2.gz KWDOJURPSZWKSU-LBPRGKRZSA-N 0 3 307.340 3.642 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cocc2C)cc1 ZINC000528921359 1028930345 /nfs/dbraw/zinc/93/03/45/1028930345.db2.gz UGFIGAPHCXZPRA-MRXNPFEDSA-N 0 3 324.380 3.892 20 30 DHEDHN CC[C@@H]1CN(CCC2(C#N)CCCCC2)[C@@H](CC)CN1C(C)=O ZINC000411306102 1029093327 /nfs/dbraw/zinc/09/33/27/1029093327.db2.gz LCALYAKKHGTKCA-ZWKOTPCHSA-N 0 3 319.493 3.572 20 30 DHEDHN N#CCSCCCN1CCC(c2ncccc2Cl)CC1 ZINC000373786244 1029134208 /nfs/dbraw/zinc/13/42/08/1029134208.db2.gz GTZNACDDVDJEOO-UHFFFAOYSA-N 0 3 309.866 3.561 20 30 DHEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000411679885 1029181623 /nfs/dbraw/zinc/18/16/23/1029181623.db2.gz MZXQZAMFASNZFS-ZHALLVOQSA-N 0 3 320.477 3.509 20 30 DHEDHN C[C@H](CCC#N)N[C@@H]1CCOc2c(Br)cccc21 ZINC000411689570 1029186496 /nfs/dbraw/zinc/18/64/96/1029186496.db2.gz DAECQYRXDSFUHE-ZWNOBZJWSA-N 0 3 309.207 3.555 20 30 DHEDHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CCCC1 ZINC000450278440 1029325561 /nfs/dbraw/zinc/32/55/61/1029325561.db2.gz RTPVMMCNZYNLMM-MSOLQXFVSA-N 0 3 312.457 3.685 20 30 DHEDHN CC(C)Oc1ccc2nccc(N3CCC(F)(C#N)CC3)c2c1 ZINC000450532459 1029528146 /nfs/dbraw/zinc/52/81/46/1029528146.db2.gz XEEHBKGMWWLSRA-UHFFFAOYSA-N 0 3 313.376 3.854 20 30 DHEDHN C=CC(C)(C)CC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC001136215529 1029553084 /nfs/dbraw/zinc/55/30/84/1029553084.db2.gz JWARYAAEFSPPOC-HNNXBMFYSA-N 0 3 308.491 3.850 20 30 DHEDHN CCCCCCN(C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000819737399 1029607678 /nfs/dbraw/zinc/60/76/78/1029607678.db2.gz XBJJWLQBVBDDJV-MRXNPFEDSA-N 0 3 315.461 3.590 20 30 DHEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)Cc1ccccc1 ZINC000450718376 1029618735 /nfs/dbraw/zinc/61/87/35/1029618735.db2.gz NHBAKTSGRMZJCB-YOEHRIQHSA-N 0 3 312.388 3.606 20 30 DHEDHN C[C@@H]1CN(CCCCC#N)C2(CCCC2)CN1CCCCC#N ZINC000451348895 1029853530 /nfs/dbraw/zinc/85/35/30/1029853530.db2.gz XZOYKIXVXVYHEQ-GOSISDBHSA-N 0 3 316.493 3.693 20 30 DHEDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1CCOc1cccc(C#N)c1 ZINC000451405317 1029869166 /nfs/dbraw/zinc/86/91/66/1029869166.db2.gz CRKXHBIWPJHGDY-OCCSQVGLSA-N 0 3 312.335 3.600 20 30 DHEDHN CC1(C)[C@H](NCc2ccc(Cl)cc2C#N)[C@@H]2CCCO[C@@H]21 ZINC000451481805 1029880936 /nfs/dbraw/zinc/88/09/36/1029880936.db2.gz UTEFTZYUEXEAGJ-XHSDSOJGSA-N 0 3 304.821 3.505 20 30 DHEDHN CN(C)c1ccc(C#N)cc1CN[C@H]1CCCc2sccc21 ZINC000865531456 1029902383 /nfs/dbraw/zinc/90/23/83/1029902383.db2.gz WZVIVYHZARVLAP-INIZCTEOSA-N 0 3 311.454 3.853 20 30 DHEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C)CC1 ZINC000357393815 1030033282 /nfs/dbraw/zinc/03/32/82/1030033282.db2.gz XPXQNIXIJXERAC-OLZOCXBDSA-N 0 3 319.836 3.661 20 30 DHEDHN CC(C)(C)c1csc(CN[C@@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000865849500 1030058710 /nfs/dbraw/zinc/05/87/10/1030058710.db2.gz ZBSVMQSPHHSWIM-OAHLLOKOSA-N 0 3 311.454 3.569 20 30 DHEDHN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[C@@H](C)C1 ZINC000452060611 1030109981 /nfs/dbraw/zinc/10/99/81/1030109981.db2.gz DXWOUWREHFWVBU-YCPHGPKFSA-N 0 3 324.428 3.913 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000533300630 1030261992 /nfs/dbraw/zinc/26/19/92/1030261992.db2.gz HYCBDLBVEPUSRF-CABCVRRESA-N 0 3 314.429 3.897 20 30 DHEDHN COCCCOc1cc(C)ccc1CN[C@H](C)CC(C)(C)C#N ZINC000925247757 1030320585 /nfs/dbraw/zinc/32/05/85/1030320585.db2.gz KZAMUTICNDRYKE-MRXNPFEDSA-N 0 3 318.461 3.828 20 30 DHEDHN COc1ccc(CN[C@@H](C)c2ccc(C(C)(C)O)cc2)cc1C#N ZINC000925584642 1030411412 /nfs/dbraw/zinc/41/14/12/1030411412.db2.gz QIFCNNQXEBFWFT-AWEZNQCLSA-N 0 3 324.424 3.645 20 30 DHEDHN C=C[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000358319213 1030436961 /nfs/dbraw/zinc/43/69/61/1030436961.db2.gz NUPDYHAVMYGPTB-ZIAGYGMSSA-N 0 3 307.459 3.628 20 30 DHEDHN CN(C)[C@H]1CCOc2c(Nc3ccc(OCC#N)cc3)cccc21 ZINC001212611255 1030555238 /nfs/dbraw/zinc/55/52/38/1030555238.db2.gz NJSBOFXLTNXPAV-SFHVURJKSA-N 0 3 323.396 3.718 20 30 DHEDHN C=CC(C)(C)CNCc1c(C)nn(-c2ccccn2)c1Cl ZINC000824790506 1030651120 /nfs/dbraw/zinc/65/11/20/1030651120.db2.gz VVYYNQQOMACPHZ-UHFFFAOYSA-N 0 3 304.825 3.531 20 30 DHEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)C1(Br)CC1 ZINC000926370271 1030715851 /nfs/dbraw/zinc/71/58/51/1030715851.db2.gz OFBXTLHTCONLRC-VIFPVBQESA-N 0 3 313.626 3.617 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)c1ccc(Br)cn1 ZINC000926336730 1030705448 /nfs/dbraw/zinc/70/54/48/1030705448.db2.gz HHDOVHCWCHSFMI-QWRGUYRKSA-N 0 3 310.239 3.823 20 30 DHEDHN COc1ccc(CN[C@H]2CCCN(C)c3ccccc32)cc1C#N ZINC000825112401 1030728852 /nfs/dbraw/zinc/72/88/52/1030728852.db2.gz SVNCUKAAIJTSPR-SFHVURJKSA-N 0 3 321.424 3.628 20 30 DHEDHN CC[C@H](CC#N)N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000248777397 1030766741 /nfs/dbraw/zinc/76/67/41/1030766741.db2.gz ZGUSWYQQFOSCPS-IMJJTQAJSA-N 0 3 301.390 3.588 20 30 DHEDHN N#Cc1ccc(Cl)cc1NC(=O)CN(C1CCC1)C1CCC1 ZINC000292117250 1030818102 /nfs/dbraw/zinc/81/81/02/1030818102.db2.gz AAOXFIOUOSSOML-UHFFFAOYSA-N 0 3 317.820 3.557 20 30 DHEDHN N=C(N[C@@H]1CCc2cc(Cl)ccc2C1)c1ccc(Cl)cn1 ZINC001171100023 1030946172 /nfs/dbraw/zinc/94/61/72/1030946172.db2.gz NKGIFHHDGVFXMC-CQSZACIVSA-N 0 3 320.223 3.651 20 30 DHEDHN Cc1nn(C)c2sc([C@H](C)NCc3ccc(C)c(C#N)c3)cc12 ZINC000926960652 1031018794 /nfs/dbraw/zinc/01/87/94/1031018794.db2.gz GAOKBMXJFNYOMK-ZDUSSCGKSA-N 0 3 324.453 3.974 20 30 DHEDHN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(C)c(C#N)c1 ZINC000926966038 1031020164 /nfs/dbraw/zinc/02/01/64/1031020164.db2.gz VFBCSTIUKUWALN-QGZVFWFLSA-N 0 3 310.372 3.792 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000359841772 1031159339 /nfs/dbraw/zinc/15/93/39/1031159339.db2.gz PBZLAYCJQIYVML-QFBILLFUSA-N 0 3 312.457 3.534 20 30 DHEDHN CCC(C)(C)N(C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000347386295 1031212772 /nfs/dbraw/zinc/21/27/72/1031212772.db2.gz XYHFMWQJIIQKCW-UHFFFAOYSA-N 0 3 321.852 3.707 20 30 DHEDHN N#CCc1ccc(NC2CCN(Cc3cccs3)CC2)cc1 ZINC000360344197 1031388691 /nfs/dbraw/zinc/38/86/91/1031388691.db2.gz NLXFBYWXFOUATF-UHFFFAOYSA-N 0 3 311.454 3.891 20 30 DHEDHN CN(Cc1ccc(-n2cccc2)cc1)Cc1cccc(C#N)c1 ZINC001144252705 1031391973 /nfs/dbraw/zinc/39/19/73/1031391973.db2.gz VHAJBXPCDDSGFM-UHFFFAOYSA-N 0 3 301.393 3.981 20 30 DHEDHN C=CCC[C@@H](C(=O)N(C)CCN1CCCCC1)c1ccccc1 ZINC001144281515 1031419634 /nfs/dbraw/zinc/41/96/34/1031419634.db2.gz RUKQIJZWGHDCJQ-LJQANCHMSA-N 0 3 314.473 3.681 20 30 DHEDHN N#Cc1cccc(CN[C@H](C[C@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000293478788 1031484645 /nfs/dbraw/zinc/48/46/45/1031484645.db2.gz RBQREDSSTKIRAB-YLJYHZDGSA-N 0 3 324.399 3.955 20 30 DHEDHN Fc1ccc(C#CCN2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872280365 1031572504 /nfs/dbraw/zinc/57/25/04/1031572504.db2.gz LLUMHRXCYVRHAW-IBGZPJMESA-N 0 3 301.405 3.601 20 30 DHEDHN N#Cc1cc(CN2CCC[C@H](OC3CCC3)CC2)ccc1F ZINC000872281810 1031576435 /nfs/dbraw/zinc/57/64/35/1031576435.db2.gz WDEYDNNJHAMNBK-KRWDZBQOSA-N 0 3 302.393 3.621 20 30 DHEDHN Cc1nn(C)cc1[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360831458 1031577492 /nfs/dbraw/zinc/57/74/92/1031577492.db2.gz FJDOUHJMXVQAKE-ORAYPTAESA-N 0 3 308.429 3.719 20 30 DHEDHN N=C(Nc1ccc2c(c1)CCOC2)c1ccc2cc(O)ccc2c1 ZINC001171184266 1031594530 /nfs/dbraw/zinc/59/45/30/1031594530.db2.gz HTVNJQPWXGSCQN-UHFFFAOYSA-N 0 3 318.376 3.655 20 30 DHEDHN COCc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)o1 ZINC000897588632 1031659855 /nfs/dbraw/zinc/65/98/55/1031659855.db2.gz ISPFYSLKPPRVRJ-UHFFFAOYSA-N 0 3 310.397 3.677 20 30 DHEDHN CC(C)(C)OC(=O)[C@@H]1CCCCN1CC1CCC(C#N)CC1 ZINC000930103520 1031702563 /nfs/dbraw/zinc/70/25/63/1031702563.db2.gz ZUDOTEBLWWKIRD-GPANFISMSA-N 0 3 306.450 3.513 20 30 DHEDHN Cc1c(CN[C@@H]2CCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000873116198 1031714412 /nfs/dbraw/zinc/71/44/12/1031714412.db2.gz XMJXMYKFNUXXDN-QGZVFWFLSA-N 0 3 307.353 3.552 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@H](Sc3ccncc3)C2)cc1 ZINC001144573085 1031721204 /nfs/dbraw/zinc/72/12/04/1031721204.db2.gz APLZVWPZMJPNON-IBGZPJMESA-N 0 3 308.450 3.820 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@](C)(O)c1ccccc1 ZINC000846189689 1031924718 /nfs/dbraw/zinc/92/47/18/1031924718.db2.gz RMJOMMMGWLRBPT-IQUTYRLHSA-N 0 3 312.388 3.644 20 30 DHEDHN C#CCSCCNCc1ccc(Cl)cc1Br ZINC000124756644 1031957481 /nfs/dbraw/zinc/95/74/81/1031957481.db2.gz VCUAYRCXFSCWQK-UHFFFAOYSA-N 0 3 318.667 3.559 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N1CCOC[C@@H]1C1CCCCC1 ZINC001171231671 1032001098 /nfs/dbraw/zinc/00/10/98/1032001098.db2.gz KQDXQCSVIUWSPX-OXQOHEQNSA-N 0 3 312.457 3.770 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1F)C[C@@H]1CC=CCC1 ZINC000361677222 1032050546 /nfs/dbraw/zinc/05/05/46/1032050546.db2.gz FKTHYZIJFKRWII-OAHLLOKOSA-N 0 3 302.393 3.502 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCC[C@H]2CCc3ccccc32)c1 ZINC000877556075 1033355650 /nfs/dbraw/zinc/35/56/50/1033355650.db2.gz LBYZRTLOBYWWEE-OAHLLOKOSA-N 0 3 311.816 3.816 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCCC[C@@H]2CC2(Cl)Cl)c1 ZINC000877614146 1033381242 /nfs/dbraw/zinc/38/12/42/1033381242.db2.gz GNUNWFNFWOYNSL-LLVKDONJSA-N 0 3 318.635 3.670 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)c2ccco2)cc1 ZINC000860470678 1033391275 /nfs/dbraw/zinc/39/12/75/1033391275.db2.gz TWMLXOKOUYHUDU-BBRMVZONSA-N 0 3 324.380 3.683 20 30 DHEDHN C[C@@H](Cc1ccccc1Br)NCc1ccc(C#N)o1 ZINC000151192037 1033426712 /nfs/dbraw/zinc/42/67/12/1033426712.db2.gz ZEZJAGFUXWVAKN-NSHDSACASA-N 0 3 319.202 3.635 20 30 DHEDHN C=CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1OC ZINC000877756557 1033434400 /nfs/dbraw/zinc/43/44/00/1033434400.db2.gz ROTZXTLEFAYGIM-CQSZACIVSA-N 0 3 313.397 3.816 20 30 DHEDHN C=CC[C@H](C)N(CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000877932283 1033521808 /nfs/dbraw/zinc/52/18/08/1033521808.db2.gz ORJKPNGNSNBFNA-LBPRGKRZSA-N 0 3 314.351 3.930 20 30 DHEDHN CN(CCC#N)c1ccc(CNC2(c3cccc(F)c3)CC2)cc1 ZINC000152866433 1033546902 /nfs/dbraw/zinc/54/69/02/1033546902.db2.gz DPPODYVZNDLJNW-UHFFFAOYSA-N 0 3 323.415 3.954 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)cc1 ZINC000878334033 1033659848 /nfs/dbraw/zinc/65/98/48/1033659848.db2.gz MEJPRWCFCLKSNE-HSALFYBXSA-N 0 3 308.425 3.605 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1CC[C@@H](C)C2(CCC2)C1)c1ccccc1 ZINC000878337100 1033663226 /nfs/dbraw/zinc/66/32/26/1033663226.db2.gz BVIGHUXRNOXORC-UTKZUKDTSA-N 0 3 324.468 3.939 20 30 DHEDHN N#CC1(c2ccccn2)CCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC000878557319 1033750364 /nfs/dbraw/zinc/75/03/64/1033750364.db2.gz FTXZGUNSZYTMQK-HNNXBMFYSA-N 0 3 319.399 3.764 20 30 DHEDHN C=CC(C)(C)CCNCc1c(Cl)n(C)nc1C(F)(F)F ZINC000862434376 1033850366 /nfs/dbraw/zinc/85/03/66/1033850366.db2.gz YKGIEPVAEFPUQT-UHFFFAOYSA-N 0 3 309.763 3.784 20 30 DHEDHN CCCOc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000174276675 1033918363 /nfs/dbraw/zinc/91/83/63/1033918363.db2.gz IQCUJFWVNUWDFX-UHFFFAOYSA-N 0 3 310.397 3.645 20 30 DHEDHN COc1ccc(CN[C@H]2CCc3c2cccc3Cl)cc1C#N ZINC000174318922 1033921078 /nfs/dbraw/zinc/92/10/78/1033921078.db2.gz RALHWCFSSZXKTD-KRWDZBQOSA-N 0 3 312.800 3.997 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC2CCCC2)cc1 ZINC000128369780 1034041484 /nfs/dbraw/zinc/04/14/84/1034041484.db2.gz PFCGNXSKTOSAPE-KRWDZBQOSA-N 0 3 312.413 3.867 20 30 DHEDHN Cc1cncc([C@@H]2CCCN2Cc2ccc(OCC#N)cc2)c1 ZINC000879747875 1034110130 /nfs/dbraw/zinc/11/01/30/1034110130.db2.gz SHVPMPLGYVHDBC-IBGZPJMESA-N 0 3 307.397 3.630 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)CCC ZINC000481030967 1034559650 /nfs/dbraw/zinc/55/96/50/1034559650.db2.gz BBBVSVAWWTWYBA-HNNXBMFYSA-N 0 3 322.522 3.773 20 30 DHEDHN CCC#C[C@@H](C)N1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001175267744 1034914635 /nfs/dbraw/zinc/91/46/35/1034914635.db2.gz KDZGFYCYAYRVSV-HZPDHXFCSA-N 0 3 308.466 3.558 20 30 DHEDHN Cc1cccc([C@H](C)N2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001175443172 1034987698 /nfs/dbraw/zinc/98/76/98/1034987698.db2.gz CKCJCNQJFGDJFN-KRWDZBQOSA-N 0 3 305.425 3.750 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000179376196 1035102893 /nfs/dbraw/zinc/10/28/93/1035102893.db2.gz QTZACPFSDWQBKZ-UONOGXRCSA-N 0 3 309.413 3.966 20 30 DHEDHN C=CCCC[C@H](NCC(=O)NCC1CCC1)c1ccccc1 ZINC001175774542 1035118346 /nfs/dbraw/zinc/11/83/46/1035118346.db2.gz GKSCGQLCJQHUGF-SFHVURJKSA-N 0 3 300.446 3.590 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccccc1OCc1ccccc1 ZINC000653747484 1035178714 /nfs/dbraw/zinc/17/87/14/1035178714.db2.gz BMCOXXOUMRRLRA-MOPGFXCFSA-N 0 3 309.409 3.699 20 30 DHEDHN N#Cc1c(CN2CC[C@H](c3ccc(F)cc3)C2)cn2ccccc12 ZINC000483106756 1035227490 /nfs/dbraw/zinc/22/74/90/1035227490.db2.gz UTOXKSSEZFWODK-INIZCTEOSA-N 0 3 319.383 3.940 20 30 DHEDHN C#C[C@H]1CC[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC001176981099 1035342180 /nfs/dbraw/zinc/34/21/80/1035342180.db2.gz IQHORNPQACSMDV-IRJFHVNHSA-N 0 3 324.468 3.594 20 30 DHEDHN C#CC1(NCc2cc(Cl)c3c(c2)OCCCO3)CCCC1 ZINC001179438391 1035477359 /nfs/dbraw/zinc/47/73/59/1035477359.db2.gz UMQXOWHXNVDWQN-UHFFFAOYSA-N 0 3 305.805 3.537 20 30 DHEDHN C=CCN(CCc1ccc(OC)c(OC)c1)Cc1ccsc1 ZINC000494543277 1035540051 /nfs/dbraw/zinc/54/00/51/1035540051.db2.gz QTEXBEHSCMXSJM-UHFFFAOYSA-N 0 3 317.454 3.996 20 30 DHEDHN C=CCN(C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000494672653 1035767727 /nfs/dbraw/zinc/76/77/27/1035767727.db2.gz MOFBIYSLCKOUMP-UHFFFAOYSA-N 0 3 322.408 3.764 20 30 DHEDHN C(#Cc1ccccc1)CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000192163882 1035770732 /nfs/dbraw/zinc/77/07/32/1035770732.db2.gz QIQDWYBAZXRKQG-NRFANRHFSA-N 0 3 319.404 3.550 20 30 DHEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(C2CCCCC2)cc1 ZINC000539682337 1035822104 /nfs/dbraw/zinc/82/21/04/1035822104.db2.gz MGFCHEJPAKTKAX-HNNXBMFYSA-N 0 3 300.446 3.687 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2Cc3ccccc3O2)c([O-])c1 ZINC000914701325 1036249320 /nfs/dbraw/zinc/24/93/20/1036249320.db2.gz GGQJAAPZNRHRGE-KOMLCTQHSA-N 0 3 324.424 3.661 20 30 DHEDHN N#CCc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000347427641 1036266118 /nfs/dbraw/zinc/26/61/18/1036266118.db2.gz KBDYMONKBHKULM-SFHVURJKSA-N 0 3 314.816 3.619 20 30 DHEDHN C#C[C@H](N[C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000491508196 1036593851 /nfs/dbraw/zinc/59/38/51/1036593851.db2.gz YVIZPQRLINOSOE-RDBSUJKOSA-N 0 3 317.738 3.714 20 30 DHEDHN N#Cc1ccc(C2CCN(Cc3ccc(O)c(F)c3)CC2)cc1 ZINC001184044809 1036733353 /nfs/dbraw/zinc/73/33/53/1036733353.db2.gz DZCQIXHYZVNCIC-UHFFFAOYSA-N 0 3 310.372 3.783 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000912075555 1037287915 /nfs/dbraw/zinc/28/79/15/1037287915.db2.gz KSIFQFCPOMVKQJ-OAHLLOKOSA-N 0 3 315.442 3.741 20 30 DHEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000912275579 1037341183 /nfs/dbraw/zinc/34/11/83/1037341183.db2.gz BDQQOTFHDGZEFW-SFHVURJKSA-N 0 3 324.424 3.984 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000912396274 1037371544 /nfs/dbraw/zinc/37/15/44/1037371544.db2.gz WRIFNPCTSRZAGR-HZPDHXFCSA-N 0 3 306.837 3.687 20 30 DHEDHN C[C@@H](NCc1ccccc1-n1cccn1)c1cccc(C#N)c1 ZINC000194375406 1037467519 /nfs/dbraw/zinc/46/75/19/1037467519.db2.gz QZOLNWSRVCFROJ-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN CC(C)CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000031582106 1037592856 /nfs/dbraw/zinc/59/28/56/1037592856.db2.gz LQGHLMWVVQQHNB-UHFFFAOYSA-N 0 3 307.825 3.517 20 30 DHEDHN C[C@@H](C#N)c1ccc(NC(=O)c2ccc(CN(C)C)cc2)cc1 ZINC001187293992 1037617115 /nfs/dbraw/zinc/61/71/15/1037617115.db2.gz WQWNBVIEWFJDQV-AWEZNQCLSA-N 0 3 307.397 3.628 20 30 DHEDHN CCc1cnccc1[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000776172745 1037675827 /nfs/dbraw/zinc/67/58/27/1037675827.db2.gz YKRXRCXJJCESHR-HUUCEWRRSA-N 0 3 309.413 3.958 20 30 DHEDHN CCc1cnccc1[C@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000776172741 1037676350 /nfs/dbraw/zinc/67/63/50/1037676350.db2.gz YKRXRCXJJCESHR-CABCVRRESA-N 0 3 309.413 3.958 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000185035631 1037774947 /nfs/dbraw/zinc/77/49/47/1037774947.db2.gz PYGDIWHFFCURJC-WMZOPIPTSA-N 0 3 300.446 3.542 20 30 DHEDHN C=CCOc1cccc(CN2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186451105 1037903680 /nfs/dbraw/zinc/90/36/80/1037903680.db2.gz CFPGGWKVUAIPJS-NRFANRHFSA-N 0 3 321.420 3.883 20 30 DHEDHN C=CCOc1cccc(CN2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186451081 1037904883 /nfs/dbraw/zinc/90/48/83/1037904883.db2.gz CFPGGWKVUAIPJS-OAQYLSRUSA-N 0 3 321.420 3.883 20 30 DHEDHN C#C[C@H](C)N(C)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000775184690 1037951878 /nfs/dbraw/zinc/95/18/78/1037951878.db2.gz XSETUCZMIBFIND-HNNXBMFYSA-N 0 3 309.409 3.824 20 30 DHEDHN C=CCc1cc(OC)cc(CN(C)Cc2ccc(C#N)cc2)c1O ZINC000163970567 1038030588 /nfs/dbraw/zinc/03/05/88/1038030588.db2.gz RWNZGEIBRNXRRE-UHFFFAOYSA-N 0 3 322.408 3.633 20 30 DHEDHN C#CCN(C[C@H]1CCC2(CCC2)CO1)[C@@H]1CCc2ccccc21 ZINC001190526460 1038333963 /nfs/dbraw/zinc/33/39/63/1038333963.db2.gz AFCDRJOFCXOFLW-UYAOXDASSA-N 0 3 309.453 3.958 20 30 DHEDHN COc1ccc2c(c1F)CC[C@H]2N[C@H]1CCc2cc(C#N)ccc21 ZINC000588958716 1038410990 /nfs/dbraw/zinc/41/09/90/1038410990.db2.gz JKAMWWUUTAVPLR-ZWKOTPCHSA-N 0 3 322.383 3.970 20 30 DHEDHN CN(C/C=C/c1ccccc1)CCOCc1ccc(C#N)cc1 ZINC000588978992 1038415193 /nfs/dbraw/zinc/41/51/93/1038415193.db2.gz MCGWEQHIIDHWCY-VMPITWQZSA-N 0 3 306.409 3.720 20 30 DHEDHN C[C@@H](Cc1ccc(F)cc1Br)NCC(C)(C)C#N ZINC000589174667 1038439342 /nfs/dbraw/zinc/43/93/42/1038439342.db2.gz JCFAJDDLIDOZDL-JTQLQIEISA-N 0 3 313.214 3.659 20 30 DHEDHN CN(Cc1cc(C#N)n(C)c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000589205880 1038448940 /nfs/dbraw/zinc/44/89/40/1038448940.db2.gz UCXIPBBRQYZCEU-MOPGFXCFSA-N 0 3 323.440 3.575 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001192653152 1038686660 /nfs/dbraw/zinc/68/66/60/1038686660.db2.gz MJNAPTNXSXJTCG-GJZGRUSLSA-N 0 3 317.351 3.810 20 30 DHEDHN N#CCCn1cc(CN2CC(CC3CC3)C2)c(-c2ccccc2)n1 ZINC000598677786 1038816359 /nfs/dbraw/zinc/81/63/59/1038816359.db2.gz JQGZVZGYEZEWCV-UHFFFAOYSA-N 0 3 320.440 3.696 20 30 DHEDHN N#CC1(c2ccc(CN3CC(Cc4ccsc4)C3)cc2)CC1 ZINC000598678809 1038821962 /nfs/dbraw/zinc/82/19/62/1038821962.db2.gz UVJHFWACRIKFDT-UHFFFAOYSA-N 0 3 308.450 3.978 20 30 DHEDHN COc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1OC1CC1 ZINC000598966668 1038958934 /nfs/dbraw/zinc/95/89/34/1038958934.db2.gz ZMEPWVCDVZHNBG-CQSZACIVSA-N 0 3 322.408 3.959 20 30 DHEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000599312762 1039115611 /nfs/dbraw/zinc/11/56/11/1039115611.db2.gz WOKSTIJZLQPNBE-JQWIXIFHSA-N 0 3 313.228 3.699 20 30 DHEDHN C[C@@H]1CC2(CN1Cc1ccc(C#N)cc1Cl)CCOCC2 ZINC000592183376 1039172986 /nfs/dbraw/zinc/17/29/86/1039172986.db2.gz IBEKZNAXHPRGDZ-CYBMUJFWSA-N 0 3 304.821 3.603 20 30 DHEDHN C=CCN(CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000603840963 1039178391 /nfs/dbraw/zinc/17/83/91/1039178391.db2.gz FXUZHMDSPGLDCD-UHFFFAOYSA-N 0 3 312.369 3.662 20 30 DHEDHN N#Cc1ccc(OCCN(Cc2cccc(F)c2)C2CC2)cc1 ZINC000603859223 1039191875 /nfs/dbraw/zinc/19/18/75/1039191875.db2.gz WVIQJQQXXZKAKJ-UHFFFAOYSA-N 0 3 310.372 3.741 20 30 DHEDHN C=CCC1(NCc2nc(C(=O)OCC)cs2)CCCCC1 ZINC000599609170 1039231916 /nfs/dbraw/zinc/23/19/16/1039231916.db2.gz HMXYRRZMZIVHGC-UHFFFAOYSA-N 0 3 308.447 3.688 20 30 DHEDHN CCCN(CCOc1cccc(C#N)c1)Cc1ccccc1F ZINC000604493337 1039484913 /nfs/dbraw/zinc/48/49/13/1039484913.db2.gz QRHBXRREBWODRT-UHFFFAOYSA-N 0 3 312.388 3.988 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000604501397 1039488517 /nfs/dbraw/zinc/48/85/17/1039488517.db2.gz GYKJUPOHXRPYNS-GOSISDBHSA-N 0 3 322.408 3.609 20 30 DHEDHN CC[C@@H](Cc1ccc(OC)c(OC)c1)NCC1(C#N)CCCC1 ZINC000593653794 1039579303 /nfs/dbraw/zinc/57/93/03/1039579303.db2.gz YPQUKHKTQRGIPV-INIZCTEOSA-N 0 3 316.445 3.698 20 30 DHEDHN N#CCc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594033650 1039669409 /nfs/dbraw/zinc/66/94/09/1039669409.db2.gz WVUZDJBZLLZEFV-UHFFFAOYSA-N 0 3 301.393 3.793 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000605738761 1039742544 /nfs/dbraw/zinc/74/25/44/1039742544.db2.gz NCQFVANECQHSKH-GOSISDBHSA-N 0 3 302.462 3.788 20 30 DHEDHN C=CCCCN(C)CC(=O)N(CCC)Cc1ccc(C)cc1 ZINC000605737546 1039744208 /nfs/dbraw/zinc/74/42/08/1039744208.db2.gz HPZAKZOPTMFHQQ-UHFFFAOYSA-N 0 3 302.462 3.632 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000594427935 1039794922 /nfs/dbraw/zinc/79/49/22/1039794922.db2.gz YEYVZORAQQCVRJ-SFHVURJKSA-N 0 3 321.424 3.627 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594499339 1039800385 /nfs/dbraw/zinc/80/03/85/1039800385.db2.gz GAPVONRWKKBXIW-MSOLQXFVSA-N 0 3 319.364 3.731 20 30 DHEDHN COCc1csc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000594952470 1039962876 /nfs/dbraw/zinc/96/28/76/1039962876.db2.gz ZQMVJUYUMCWUGX-SFHVURJKSA-N 0 3 312.438 3.933 20 30 DHEDHN C=CCCSCCN[C@H](COC)c1ccc(F)c(F)c1 ZINC000595059872 1040026651 /nfs/dbraw/zinc/02/66/51/1040026651.db2.gz QSGMVQIJJROQAV-OAHLLOKOSA-N 0 3 301.402 3.551 20 30 DHEDHN C=CCCSCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595057725 1040021760 /nfs/dbraw/zinc/02/17/60/1040021760.db2.gz DDKUJVRYAORAPN-GFCCVEGCSA-N 0 3 310.419 3.563 20 30 DHEDHN C=CCCN[C@H](C)c1ccccc1I ZINC000595059425 1040026750 /nfs/dbraw/zinc/02/67/50/1040026750.db2.gz ODSZEGANLIJGLO-SNVBAGLBSA-N 0 3 301.171 3.518 20 30 DHEDHN C[C@@H](NC[C@@H]1CCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000595104724 1040067219 /nfs/dbraw/zinc/06/72/19/1040067219.db2.gz SMCZWSJHRPTUEP-QAPCUYQASA-N 0 3 323.415 3.622 20 30 DHEDHN COc1ccc(C[C@@H]2CCCCN2Cc2ccnc(C#N)c2)cc1 ZINC000593084231 1040196680 /nfs/dbraw/zinc/19/66/80/1040196680.db2.gz PSWSQMGLBRKSPI-IBGZPJMESA-N 0 3 321.424 3.559 20 30 DHEDHN N#CC(C(=O)CC1CCC1)c1nc2ccccc2n1C(F)F ZINC000174000965 1040480207 /nfs/dbraw/zinc/48/02/07/1040480207.db2.gz OXWCSHFDDHGOPC-LLVKDONJSA-N 0 3 303.312 3.798 20 30 DHEDHN C[C@@H]1CCC[C@H](C)N(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075767285 1040537753 /nfs/dbraw/zinc/53/77/53/1040537753.db2.gz XALJPBBYEXPPKW-KGLIPLIRSA-N 0 3 310.401 3.619 20 30 DHEDHN COc1cc(CN(C)Cc2ccc(C3(C#N)CC3)cc2)ccc1O ZINC000596982681 1040613702 /nfs/dbraw/zinc/61/37/02/1040613702.db2.gz FGJSDCUBDYHMRJ-UHFFFAOYSA-N 0 3 322.408 3.588 20 30 DHEDHN Cc1ccc(CN(C)C)cc1NC(=O)CC1(C#N)CCCCC1 ZINC000597344655 1040743947 /nfs/dbraw/zinc/74/39/47/1040743947.db2.gz QLAFHJGNJYCEPD-UHFFFAOYSA-N 0 3 313.445 3.859 20 30 DHEDHN C=CCC(C)(C)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456327016 1040779368 /nfs/dbraw/zinc/77/93/68/1040779368.db2.gz HCMRFJYYVRREKN-QGZVFWFLSA-N 0 3 314.473 3.569 20 30 DHEDHN N#Cc1c(F)cccc1CN[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000602017844 1040866283 /nfs/dbraw/zinc/86/62/83/1040866283.db2.gz SDBJBFPQVPYZCD-LPHOPBHVSA-N 0 3 310.372 3.707 20 30 DHEDHN Cc1cc(CN2CCSCC2)ccc1NC[C@H](C)CCC#N ZINC000602489602 1041058034 /nfs/dbraw/zinc/05/80/34/1041058034.db2.gz AREXPDZWSMCJPG-OAHLLOKOSA-N 0 3 317.502 3.896 20 30 DHEDHN N#CCCC[C@H](N)C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC000602578265 1041110554 /nfs/dbraw/zinc/11/05/54/1041110554.db2.gz MLDYTQGOCGZZMZ-ZDUSSCGKSA-N 0 3 320.462 3.541 20 30 DHEDHN CC(C)(N[C@H](c1nnc[nH]1)C1CCCCC1)c1cccc(C#N)c1 ZINC000602704555 1041167060 /nfs/dbraw/zinc/16/70/60/1041167060.db2.gz AMVYBQOILHNESR-KRWDZBQOSA-N 0 3 323.444 3.823 20 30 DHEDHN COc1ccc(CN2CCC3(CCSCC3)CC2)cc1C#N ZINC000602733270 1041187288 /nfs/dbraw/zinc/18/72/88/1041187288.db2.gz AMCNSYWVDBQWMS-UHFFFAOYSA-N 0 3 316.470 3.676 20 30 DHEDHN COc1ccc(CN(CC2CC2)CC2(CC#N)CC2)c(OC)c1 ZINC000602827287 1041245928 /nfs/dbraw/zinc/24/59/28/1041245928.db2.gz XWUBEZBDNGHVMM-UHFFFAOYSA-N 0 3 314.429 3.610 20 30 DHEDHN CN(Cc1cc(Cl)cc(Cl)c1)C[C@H](O)CC(C)(C)C#N ZINC000598585744 1041347752 /nfs/dbraw/zinc/34/77/52/1041347752.db2.gz KOGDUWVCTSAVCN-CQSZACIVSA-N 0 3 315.244 3.726 20 30 DHEDHN CN(Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598585743 1041347956 /nfs/dbraw/zinc/34/79/56/1041347956.db2.gz KOGDUWVCTSAVCN-AWEZNQCLSA-N 0 3 315.244 3.726 20 30 DHEDHN C[C@@H]1C[C@H]1c1ccc(CN(C[C@H](O)CC(C)(C)C#N)C2CC2)o1 ZINC000598585161 1041348793 /nfs/dbraw/zinc/34/87/93/1041348793.db2.gz VKMJASXXIDRIPU-FRFSOERESA-N 0 3 316.445 3.668 20 30 DHEDHN Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598598664 1041357205 /nfs/dbraw/zinc/35/72/05/1041357205.db2.gz IBMIRTPIXLUOJA-UONOGXRCSA-N 0 3 323.506 3.869 20 30 DHEDHN Cc1sc(NC(=O)CN(CC(C)C)CC(C)C)c(C#N)c1C ZINC000096969032 185394418 /nfs/dbraw/zinc/39/44/18/185394418.db2.gz FDFPLOMAPNPFIA-UHFFFAOYSA-N 0 3 321.490 3.789 20 30 DHEDHN C=CCSCCN[C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000180457178 334950177 /nfs/dbraw/zinc/95/01/77/334950177.db2.gz RNZRZYCDZKJHGD-LLVKDONJSA-N 0 3 317.401 3.866 20 30 DHEDHN Cc1cc(C)cc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000107072135 185468383 /nfs/dbraw/zinc/46/83/83/185468383.db2.gz IPZVLLBMCRAYIS-JKSUJKDBSA-N 0 3 321.424 3.853 20 30 DHEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1ccccc1C ZINC000285120738 335023749 /nfs/dbraw/zinc/02/37/49/335023749.db2.gz NDEHFRLHCPNMHA-HKUYNNGSSA-N 0 3 320.436 3.546 20 30 DHEDHN C(#Cc1ccccc1)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285892345 335027827 /nfs/dbraw/zinc/02/78/27/335027827.db2.gz JZZOHYRUHXAZEQ-YPAWHYETSA-N 0 3 317.432 3.543 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)N(C)c1ccccc1 ZINC000425542961 335036327 /nfs/dbraw/zinc/03/63/27/335036327.db2.gz YYDHRPKTSDUISM-INIZCTEOSA-N 0 3 321.424 3.604 20 30 DHEDHN C[C@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000286851045 131252221 /nfs/dbraw/zinc/25/22/21/131252221.db2.gz ALKVTRBNINXSNQ-LIRRHRJNSA-N 0 3 311.404 3.651 20 30 DHEDHN CC1(C)CCCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000119795478 132137649 /nfs/dbraw/zinc/13/76/49/132137649.db2.gz XTCCIHKIEWPNEK-OAHLLOKOSA-N 0 3 319.836 3.709 20 30 DHEDHN Cc1oc(NC(=O)[C@@H](C)N(C)CC2CCCCC2)c(C#N)c1C ZINC000044715149 132160345 /nfs/dbraw/zinc/16/03/45/132160345.db2.gz UYYQLFHKNUGINK-CYBMUJFWSA-N 0 3 317.433 3.607 20 30 DHEDHN C(#Cc1ccccc1)CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000290077880 335068438 /nfs/dbraw/zinc/06/84/38/335068438.db2.gz GTFIGQKIRVRJJM-NRFANRHFSA-N 0 3 317.432 3.722 20 30 DHEDHN C=CCCOCCN[C@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000290670162 335074168 /nfs/dbraw/zinc/07/41/68/335074168.db2.gz LEKKQQGPWAFSNL-QZTJIDSGSA-N 0 3 307.409 3.618 20 30 DHEDHN C=CCCOCCN[C@@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000290670165 335074236 /nfs/dbraw/zinc/07/42/36/335074236.db2.gz LEKKQQGPWAFSNL-ROUUACIJSA-N 0 3 307.409 3.618 20 30 DHEDHN C=C(CN[C@@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000292024297 335085368 /nfs/dbraw/zinc/08/53/68/335085368.db2.gz CQJIHFWXXQCDSC-INIZCTEOSA-N 0 3 308.425 3.752 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000292150860 335088276 /nfs/dbraw/zinc/08/82/76/335088276.db2.gz FZSZFWBBCSZSNF-CQSZACIVSA-N 0 3 306.475 3.604 20 30 DHEDHN C=CC(C)(C)CCN[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000629250668 435399171 /nfs/dbraw/zinc/39/91/71/435399171.db2.gz ANXDJCXSKHFYKI-AWEZNQCLSA-N 0 3 307.438 3.672 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cc(C)c(C)cc2Cl)CC1 ZINC000297387870 331597354 /nfs/dbraw/zinc/59/73/54/331597354.db2.gz LQZKGEGHGSMEFO-UHFFFAOYSA-N 0 3 321.852 3.729 20 30 DHEDHN C=C(C)COc1cccc(NC(=O)[C@@H](CC)N(CC)CC)c1 ZINC000530576268 331608888 /nfs/dbraw/zinc/60/88/88/331608888.db2.gz YVSBYXPDBMBIGF-QGZVFWFLSA-N 0 3 304.434 3.700 20 30 DHEDHN CCOCc1cc(CN[C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000299468729 331692490 /nfs/dbraw/zinc/69/24/90/331692490.db2.gz NGGXCWMBVNFKNT-HNNXBMFYSA-N 0 3 324.424 3.954 20 30 DHEDHN Cc1ccc(CNCc2ccc(N(C)CCC#N)cc2)c(C)c1 ZINC000069749574 331916385 /nfs/dbraw/zinc/91/63/85/331916385.db2.gz AOORIWNQHDPUGO-UHFFFAOYSA-N 0 3 307.441 3.943 20 30 DHEDHN N#CCC1(CNCc2cnc(CCc3ccccc3)s2)CC1 ZINC000449300371 332015296 /nfs/dbraw/zinc/01/52/96/332015296.db2.gz OPMKHXPEKLRBBH-UHFFFAOYSA-N 0 3 311.454 3.712 20 30 DHEDHN C=CCCCC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000518599894 332090997 /nfs/dbraw/zinc/09/09/97/332090997.db2.gz WHXOZAVIJNFLOB-SFHVURJKSA-N 0 3 318.461 3.549 20 30 DHEDHN C=CC[C@@H](C(=O)NCCN1CCCC[C@@H]1CC)c1ccccc1 ZINC000426840739 332156892 /nfs/dbraw/zinc/15/68/92/332156892.db2.gz RDCJOQMIGJUBRT-RBUKOAKNSA-N 0 3 314.473 3.727 20 30 DHEDHN C=CCC[C@H](C(=O)N1CCCN(C(C)C)CC1)c1ccccc1 ZINC000427130701 332168370 /nfs/dbraw/zinc/16/83/70/332168370.db2.gz KYUVEIKCMSVIJX-IBGZPJMESA-N 0 3 314.473 3.679 20 30 DHEDHN N#C[C@@H]1CC[C@H](NC/C=C/c2ccc(Br)cc2)C1 ZINC000449450376 332203604 /nfs/dbraw/zinc/20/36/04/332203604.db2.gz BGXYCLMYHURMDA-IDUPTQOLSA-N 0 3 305.219 3.744 20 30 DHEDHN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(CC#N)cc1 ZINC000564963672 332306539 /nfs/dbraw/zinc/30/65/39/332306539.db2.gz KJBSQXHGDQSHHF-QGZVFWFLSA-N 0 3 310.372 3.677 20 30 DHEDHN Cc1cc(C)cc([C@@H](C)NCc2cnc3ccc(C#N)cn23)c1 ZINC000560255470 332324491 /nfs/dbraw/zinc/32/44/91/332324491.db2.gz UGMGSTCGLANAPG-OAHLLOKOSA-N 0 3 304.397 3.674 20 30 DHEDHN COc1ccc(C#N)cc1CNC(C)(C)COCc1ccccc1 ZINC000390053412 332371704 /nfs/dbraw/zinc/37/17/04/332371704.db2.gz KRDXHAODTBQGTG-UHFFFAOYSA-N 0 3 324.424 3.652 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000185030510 335108425 /nfs/dbraw/zinc/10/84/25/335108425.db2.gz FPTWJPGDWHZBFX-GJZGRUSLSA-N 0 3 306.475 3.604 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2CC(C)C)CC1 ZINC000150746196 332416997 /nfs/dbraw/zinc/41/69/97/332416997.db2.gz RHUILNLVDXWKSZ-SFHVURJKSA-N 0 3 321.509 3.637 20 30 DHEDHN C=CCC(F)(F)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000293754795 335112992 /nfs/dbraw/zinc/11/29/92/335112992.db2.gz REBUQAKEYNWBOF-UHFFFAOYSA-N 0 3 308.372 3.741 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000152740425 332705463 /nfs/dbraw/zinc/70/54/63/332705463.db2.gz QACCORPMOZJWGS-DLBZAZTESA-N 0 3 321.424 3.673 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C#N)cc1 ZINC000159826459 332711734 /nfs/dbraw/zinc/71/17/34/332711734.db2.gz QDLBHQUZDRZMTI-HUUCEWRRSA-N 0 3 317.396 3.551 20 30 DHEDHN C=CCC(C)(C)c1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000570347244 332742978 /nfs/dbraw/zinc/74/29/78/332742978.db2.gz XRFGWVKTCQDMEH-UHFFFAOYSA-N 0 3 315.417 3.531 20 30 DHEDHN CC[C@@H](NCc1ccc2cnn(C)c2c1)c1ccc(C#N)cc1 ZINC000570374912 332746096 /nfs/dbraw/zinc/74/60/96/332746096.db2.gz DNHCSSFSFKMKIK-GOSISDBHSA-N 0 3 304.397 3.686 20 30 DHEDHN C=C(C)COCCN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000180946480 333029165 /nfs/dbraw/zinc/02/91/65/333029165.db2.gz XDLDJUVFGGDBFS-FQEVSTJZSA-N 0 3 311.425 3.967 20 30 DHEDHN C=CCCOCCN[C@@H]1CCCSc2ccc(OC)cc21 ZINC000188277732 333041389 /nfs/dbraw/zinc/04/13/89/333041389.db2.gz IXRIJPSFQZSNJA-MRXNPFEDSA-N 0 3 307.459 3.805 20 30 DHEDHN COCc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000174356896 333085416 /nfs/dbraw/zinc/08/54/16/333085416.db2.gz URYGMQUPDVWAIP-HNNXBMFYSA-N 0 3 310.397 3.586 20 30 DHEDHN Cc1c([C@H](C)NCCCCC#N)nnn1-c1ccc(Cl)cc1 ZINC000178646095 333141938 /nfs/dbraw/zinc/14/19/38/333141938.db2.gz LJYZGBZDUZMEQE-LBPRGKRZSA-N 0 3 317.824 3.574 20 30 DHEDHN Cc1nc2c(s1)[C@H](NCc1ccc(OCC#N)cc1)CCC2 ZINC000180552074 333163244 /nfs/dbraw/zinc/16/32/44/333163244.db2.gz FQNGSPCIXJXINB-OAHLLOKOSA-N 0 3 313.426 3.521 20 30 DHEDHN N#CCCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183154880 333183406 /nfs/dbraw/zinc/18/34/06/333183406.db2.gz OWICXGSZPRAWQE-UHFFFAOYSA-N 0 3 310.397 3.755 20 30 DHEDHN C=CCOc1cccc(CN2CC[C@H](O)c3ccccc3C2)c1 ZINC000363870253 333187192 /nfs/dbraw/zinc/18/71/92/333187192.db2.gz UPWSXRODNPNCQW-FQEVSTJZSA-N 0 3 309.409 3.691 20 30 DHEDHN CC[C@H](CC#N)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000184088860 333191709 /nfs/dbraw/zinc/19/17/09/333191709.db2.gz HWJFVSIBRYSWRR-MRXNPFEDSA-N 0 3 305.853 3.586 20 30 DHEDHN CN(C)CCOc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1Cl ZINC000185741588 333213085 /nfs/dbraw/zinc/21/30/85/333213085.db2.gz RXYGOJIQKZUWDP-ZIAGYGMSSA-N 0 3 321.852 3.775 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000185769682 333213842 /nfs/dbraw/zinc/21/38/42/333213842.db2.gz QPVQXRHDDODQPM-RHSMWYFYSA-N 0 3 311.429 3.597 20 30 DHEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000185878025 333215173 /nfs/dbraw/zinc/21/51/73/333215173.db2.gz MNUDXSPOTWBJLA-OUENDJJVSA-N 0 3 322.811 3.981 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185886776 333215594 /nfs/dbraw/zinc/21/55/94/333215594.db2.gz DIXSEWGYWFIPEB-GDBMZVCRSA-N 0 3 306.331 3.729 20 30 DHEDHN CC(C)(COCc1ccccc1)NCc1cc(C#N)ccc1F ZINC000390071927 333221539 /nfs/dbraw/zinc/22/15/39/333221539.db2.gz MJBMIBQJKQQTHX-UHFFFAOYSA-N 0 3 312.388 3.782 20 30 DHEDHN CC(C)(NCCCSCC#N)c1cccc(Cl)c1F ZINC000186881820 333224182 /nfs/dbraw/zinc/22/41/82/333224182.db2.gz LOEFWGRSPBAMMK-UHFFFAOYSA-N 0 3 300.830 3.951 20 30 DHEDHN C=CC[C@H](C)NCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000525759613 333239186 /nfs/dbraw/zinc/23/91/86/333239186.db2.gz BODDVZXGPFOSPS-XJKSGUPXSA-N 0 3 309.837 3.952 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000497496164 333256714 /nfs/dbraw/zinc/25/67/14/333256714.db2.gz UFSYPEUIYBAJFJ-IBGZPJMESA-N 0 3 324.399 3.783 20 30 DHEDHN CCN(CCOc1ccccc1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000497590812 333266502 /nfs/dbraw/zinc/26/65/02/333266502.db2.gz OEHSMLBKVWKZIJ-MRXNPFEDSA-N 0 3 319.408 3.892 20 30 DHEDHN COc1ccc([C@@H]2CCCN2CCOc2ccccc2C#N)cc1 ZINC000497619315 333270374 /nfs/dbraw/zinc/27/03/74/333270374.db2.gz RUXFLYWHEHZQHG-IBGZPJMESA-N 0 3 322.408 3.783 20 30 DHEDHN N#C[C@H]1CCC[C@@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000192757949 333292420 /nfs/dbraw/zinc/29/24/20/333292420.db2.gz YVIMKAQHDMTCBO-URKNILKWSA-N 0 3 312.413 3.581 20 30 DHEDHN C=CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000364380675 333303411 /nfs/dbraw/zinc/30/34/11/333303411.db2.gz SXMSMEXSUANZME-PKOBYXMFSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCC[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccco1 ZINC000364969234 333333554 /nfs/dbraw/zinc/33/35/54/333333554.db2.gz IBZHHPWEMPGPQZ-ZBFHGGJFSA-N 0 3 315.392 3.690 20 30 DHEDHN C=CCC1(C(=O)N2CCC[C@H](NCc3ccccc3)C2)CCC1 ZINC000365263499 333400798 /nfs/dbraw/zinc/40/07/98/333400798.db2.gz CHQPGPJLUNMDKP-SFHVURJKSA-N 0 3 312.457 3.514 20 30 DHEDHN C=CCCN(C)Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000343445330 335165250 /nfs/dbraw/zinc/16/52/50/335165250.db2.gz QCXOUWYXKVZYKP-UHFFFAOYSA-N 0 3 313.445 3.565 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@H](C)[C@@H](OC)C2)ccc1OC ZINC000343445195 335165337 /nfs/dbraw/zinc/16/53/37/335165337.db2.gz PETHDYAHGDHCEB-KXBFYZLASA-N 0 3 319.445 3.507 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@@H](C)[C@H](OC)C2)ccc1OC ZINC000343445184 335165408 /nfs/dbraw/zinc/16/54/08/335165408.db2.gz PETHDYAHGDHCEB-DNVCBOLYSA-N 0 3 319.445 3.507 20 30 DHEDHN CCN(CC)Cc1cccc(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000270234906 334009607 /nfs/dbraw/zinc/00/96/07/334009607.db2.gz JBBQNWVZPVWQAF-UHFFFAOYSA-N 0 3 321.424 3.847 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000271432587 334023407 /nfs/dbraw/zinc/02/34/07/334023407.db2.gz BENRFEIIYSQZLL-FDYSRKEFSA-N 0 3 320.440 3.781 20 30 DHEDHN CC1(C#N)CCN(CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000272634731 334038451 /nfs/dbraw/zinc/03/84/51/334038451.db2.gz WSYZJJNHXAICBG-UHFFFAOYSA-N 0 3 312.335 3.753 20 30 DHEDHN COc1cc([C@H](C)NCCCC#N)ccc1SC(F)F ZINC000273294595 334044925 /nfs/dbraw/zinc/04/49/25/334044925.db2.gz SVPWHKZXKBZDLW-JTQLQIEISA-N 0 3 300.374 3.964 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2cc(Br)ccc2F)C1 ZINC000274196235 334056656 /nfs/dbraw/zinc/05/66/56/334056656.db2.gz JNSBWGROBRWSLO-ZWNOBZJWSA-N 0 3 311.198 3.760 20 30 DHEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1F ZINC000275762674 334073033 /nfs/dbraw/zinc/07/30/33/334073033.db2.gz TYBLGLDHURPYCI-UMNHJUIQSA-N 0 3 311.198 3.931 20 30 DHEDHN COc1cc(CN(C)CCCCC(C)(C)C#N)cc(OC)c1 ZINC000277803180 334090986 /nfs/dbraw/zinc/09/09/86/334090986.db2.gz UGAFVFLBWPDTRW-UHFFFAOYSA-N 0 3 304.434 3.856 20 30 DHEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCOC1 ZINC000277828085 334091110 /nfs/dbraw/zinc/09/11/10/334091110.db2.gz VZKFRHKQESFONR-FQEVSTJZSA-N 0 3 320.436 3.607 20 30 DHEDHN CN(CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCOC1 ZINC000277828087 334091122 /nfs/dbraw/zinc/09/11/22/334091122.db2.gz VZKFRHKQESFONR-HXUWFJFHSA-N 0 3 320.436 3.607 20 30 DHEDHN C[C@H](CC1CCCCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279897426 334112667 /nfs/dbraw/zinc/11/26/67/334112667.db2.gz DLEZDBZEKQVDPN-BEFAXECRSA-N 0 3 323.440 3.716 20 30 DHEDHN CCC(CC)(CC)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279910511 334112896 /nfs/dbraw/zinc/11/28/96/334112896.db2.gz DYHJXLSHOZHGBK-QGZVFWFLSA-N 0 3 311.429 3.573 20 30 DHEDHN CCC[C@@]1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280540692 334118082 /nfs/dbraw/zinc/11/80/82/334118082.db2.gz ZEGHCLWXIZVZDM-ICSRJNTNSA-N 0 3 323.440 3.669 20 30 DHEDHN COc1ccc(CN2CCC=C(C)C2)cc1OCCCC#N ZINC000281717759 334127799 /nfs/dbraw/zinc/12/77/99/334127799.db2.gz DXCDXANWRBIMDB-UHFFFAOYSA-N 0 3 300.402 3.530 20 30 DHEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1c(F)cccc1F ZINC000282086905 334131126 /nfs/dbraw/zinc/13/11/26/334131126.db2.gz UZCKZPFNASMXFK-ZDUSSCGKSA-N 0 3 308.372 3.716 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000284531180 334143830 /nfs/dbraw/zinc/14/38/30/334143830.db2.gz ZZSUIPRUTGOSJD-WKPIXPDZSA-N 0 3 320.234 3.577 20 30 DHEDHN CN(CCc1cccc(Br)c1)[C@H]1CC[C@H](C#N)C1 ZINC000293576475 334199086 /nfs/dbraw/zinc/19/90/86/334199086.db2.gz NJOQLHWJQJMKKJ-ZFWWWQNUSA-N 0 3 307.235 3.616 20 30 DHEDHN CC[C@@H](NCc1cccc(C#N)c1)c1ccc(C(=O)OC)cc1 ZINC000293670429 334200311 /nfs/dbraw/zinc/20/03/11/334200311.db2.gz JTLUSAJCILLWJJ-GOSISDBHSA-N 0 3 308.381 3.586 20 30 DHEDHN C=CCC[C@@H](NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000514094533 334272772 /nfs/dbraw/zinc/27/27/72/334272772.db2.gz NOTUQKXJSGWSAO-IXDOHACOSA-N 0 3 320.477 3.764 20 30 DHEDHN N#CC[C@@H]1CC[C@H](NCc2c(F)cccc2OC(F)(F)F)C1 ZINC000294942004 334214582 /nfs/dbraw/zinc/21/45/82/334214582.db2.gz CHSVAVNQGLFLGO-QWRGUYRKSA-N 0 3 316.298 3.896 20 30 DHEDHN COc1c(C)cnc(CN(C)CCCCC(C)(C)C#N)c1C ZINC000295116998 334218866 /nfs/dbraw/zinc/21/88/66/334218866.db2.gz IGVGKXCJMOYSAQ-UHFFFAOYSA-N 0 3 303.450 3.859 20 30 DHEDHN C[C@H](CCC#N)N(C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000298554743 334249856 /nfs/dbraw/zinc/24/98/56/334249856.db2.gz OPRAMPKTZAQCMU-GFCCVEGCSA-N 0 3 300.324 3.752 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000187730174 334269961 /nfs/dbraw/zinc/26/99/61/334269961.db2.gz RORHOFFECJCOJP-SFHVURJKSA-N 0 3 319.452 3.827 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000582144221 334270344 /nfs/dbraw/zinc/27/03/44/334270344.db2.gz CDAJEZIDOMKNEM-SJLPKXTDSA-N 0 3 320.502 3.730 20 30 DHEDHN CC[C@@H](CC#N)N[C@H]1CCc2cc(Br)ccc2C1 ZINC000110823131 334291151 /nfs/dbraw/zinc/29/11/51/334291151.db2.gz WPIQWRCZHRRCHS-GJZGRUSLSA-N 0 3 307.235 3.588 20 30 DHEDHN CC(C)(C#N)CCN1CCN(Cc2cccc3ccccc32)CC1 ZINC000534952126 334352317 /nfs/dbraw/zinc/35/23/17/334352317.db2.gz XSFLVCQMCAAGLV-UHFFFAOYSA-N 0 3 321.468 3.897 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2cccc(-c3ccoc3)c2)nc(C)n1 ZINC000340748630 334384508 /nfs/dbraw/zinc/38/45/08/334384508.db2.gz GDWFDPPFAOWMPJ-QGZVFWFLSA-N 0 3 317.348 3.844 20 30 DHEDHN N#CC(C(=O)c1cc(F)cc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000340859520 334390742 /nfs/dbraw/zinc/39/07/42/334390742.db2.gz NFKVHOFGVXXFPE-LBPRGKRZSA-N 0 3 313.719 3.845 20 30 DHEDHN COCC1(C#N)CCN(Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000342844044 334582078 /nfs/dbraw/zinc/58/20/78/334582078.db2.gz XALOBAVYRBHTDP-UHFFFAOYSA-N 0 3 324.424 3.601 20 30 DHEDHN C=CCCOCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303661 334704293 /nfs/dbraw/zinc/70/42/93/334704293.db2.gz APZTUFRUEOSSAU-QGZVFWFLSA-N 0 3 304.390 3.545 20 30 DHEDHN C=CC[C@H]1N(C(=O)c2ccc(CN(C)C)cc2)CCCC1(C)C ZINC000443870500 338462486 /nfs/dbraw/zinc/46/24/86/338462486.db2.gz SPMAEWJQSVDREW-GOSISDBHSA-N 0 3 314.473 3.955 20 30 DHEDHN C=CCOc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)cc1Cl ZINC000535543433 334740252 /nfs/dbraw/zinc/74/02/52/334740252.db2.gz RDNWOPPDDAJICQ-DOTOQJQBSA-N 0 3 307.821 3.562 20 30 DHEDHN CCCN1CCC(NC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328758157 334752350 /nfs/dbraw/zinc/75/23/50/334752350.db2.gz VRLWOGFYZHEEOG-UHFFFAOYSA-N 0 3 319.449 3.901 20 30 DHEDHN C=CCC[C@@H](C)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000475574966 334910748 /nfs/dbraw/zinc/91/07/48/334910748.db2.gz MZWYCEDMQSHDRJ-DGCLKSJQSA-N 0 3 303.324 3.563 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000343727923 335187231 /nfs/dbraw/zinc/18/72/31/335187231.db2.gz BMJSZVOVDXOBIP-MRXNPFEDSA-N 0 3 316.408 3.789 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2cccc3ccsc32)nc(C)n1 ZINC000343923359 335202156 /nfs/dbraw/zinc/20/21/56/335202156.db2.gz JGXLCJRLUPEMAJ-CQSZACIVSA-N 0 3 307.378 3.798 20 30 DHEDHN COc1ccccc1C1(CNCc2ccc(C#N)cc2F)CC1 ZINC000343981374 335205092 /nfs/dbraw/zinc/20/50/92/335205092.db2.gz IZNYPCGJCXCYTI-UHFFFAOYSA-N 0 3 310.372 3.527 20 30 DHEDHN C=CC[C@H]1N(C(=O)c2cccc(CN(C)C)c2)CCCC1(C)C ZINC000444637099 338477717 /nfs/dbraw/zinc/47/77/17/338477717.db2.gz POORHECQSIEXEG-GOSISDBHSA-N 0 3 314.473 3.955 20 30 DHEDHN CC(C#N)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000346247575 335394378 /nfs/dbraw/zinc/39/43/78/335394378.db2.gz BHHBRTNTJMTRBS-NSHDSACASA-N 0 3 316.307 3.533 20 30 DHEDHN N#CCCCN[C@H]1CCc2c1cc(Cl)cc2Br ZINC000346805973 335437704 /nfs/dbraw/zinc/43/77/04/335437704.db2.gz ABHNPKWORWLDME-ZDUSSCGKSA-N 0 3 313.626 3.983 20 30 DHEDHN C=CCOCCCN[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000348039185 335547384 /nfs/dbraw/zinc/54/73/84/335547384.db2.gz SVIRFEJWPOWAKY-JTQLQIEISA-N 0 3 308.369 3.795 20 30 DHEDHN C[C@](O)(CNC(=O)[C@H]1CCCN1C1CCCC1)C1CCCCC1 ZINC000330120059 336115066 /nfs/dbraw/zinc/11/50/66/336115066.db2.gz AYDQHMYZCFTXIX-MJGOQNOKSA-N 0 3 322.493 3.681 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)NC1CCCCCC1 ZINC000330162672 336119568 /nfs/dbraw/zinc/11/95/68/336119568.db2.gz SJRIICKVXAUKHU-SJORKVTESA-N 0 3 310.482 3.849 20 30 DHEDHN CC[C@H]1CCCCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000351912071 336132316 /nfs/dbraw/zinc/13/23/16/336132316.db2.gz DHQKQEFCPUKLSR-KRWDZBQOSA-N 0 3 313.445 3.588 20 30 DHEDHN COc1cc(C#N)ccc1CN[C@@H](CC(F)(F)F)C(C)C ZINC000445902252 338514991 /nfs/dbraw/zinc/51/49/91/338514991.db2.gz CYHIGYTWNBORBE-ZDUSSCGKSA-N 0 3 300.324 3.633 20 30 DHEDHN C[C@@H]1CCCC[C@H]1N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332622445 336176657 /nfs/dbraw/zinc/17/66/57/336176657.db2.gz COXKZNUZJIMOLJ-CZUORRHYSA-N 0 3 310.401 3.619 20 30 DHEDHN CC1(C)CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332698522 336179156 /nfs/dbraw/zinc/17/91/56/336179156.db2.gz VOLAMGADYUXKLO-HNNXBMFYSA-N 0 3 310.401 3.667 20 30 DHEDHN CC(C)[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000332697537 336179319 /nfs/dbraw/zinc/17/93/19/336179319.db2.gz WENHXQXBTRAGNU-IRXDYDNUSA-N 0 3 324.428 3.913 20 30 DHEDHN Cc1ccccc1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000352336899 336213118 /nfs/dbraw/zinc/21/31/18/336213118.db2.gz BEMQBKNFPXDFQT-UHFFFAOYSA-N 0 3 306.409 3.910 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1ccc(-n2cccn2)cc1 ZINC000352702233 336231420 /nfs/dbraw/zinc/23/14/20/336231420.db2.gz ULEXAKGAYDLKBR-UHFFFAOYSA-N 0 3 307.397 3.696 20 30 DHEDHN N#Cc1ccc(CNCCCc2c[nH]c3ccccc23)c(F)c1 ZINC000532566326 336255754 /nfs/dbraw/zinc/25/57/54/336255754.db2.gz CSUJVQXTKVAEKZ-UHFFFAOYSA-N 0 3 307.372 3.901 20 30 DHEDHN N#Cc1ccc(CNCc2ccc(O)cc2)c(C(F)(F)F)c1 ZINC000352833594 336270696 /nfs/dbraw/zinc/27/06/96/336270696.db2.gz JEZKHKSWFGWNLH-UHFFFAOYSA-N 0 3 306.287 3.572 20 30 DHEDHN N#Cc1ccc(NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000301126827 336291215 /nfs/dbraw/zinc/29/12/15/336291215.db2.gz URXXBSZJSFASCO-UHFFFAOYSA-N 0 3 311.454 3.944 20 30 DHEDHN CN(C)[C@H](CNc1ccc(C#N)cc1F)c1cccc(F)c1 ZINC000301176411 336293507 /nfs/dbraw/zinc/29/35/07/336293507.db2.gz MNRFCPSRGQZWOA-QGZVFWFLSA-N 0 3 301.340 3.551 20 30 DHEDHN CN(C)[C@@H](CNc1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000301194786 336294339 /nfs/dbraw/zinc/29/43/39/336294339.db2.gz YJQKGBFTSMKMEN-AWEZNQCLSA-N 0 3 305.834 3.988 20 30 DHEDHN C=CCN1CCC(Nc2cc3ccccc3c(Cl)n2)CC1 ZINC000301397428 336304288 /nfs/dbraw/zinc/30/42/88/336304288.db2.gz NSGCZDLCZNIAKD-UHFFFAOYSA-N 0 3 301.821 3.951 20 30 DHEDHN C[C@@H]1CN(CCCCNc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 ZINC000301710894 336324955 /nfs/dbraw/zinc/32/49/55/336324955.db2.gz HVOYAOSXZDXAMV-ZIAGYGMSSA-N 0 3 321.852 3.513 20 30 DHEDHN C[C@@H]1CN(CCCCNc2ccc(Cl)cc2C#N)C[C@@H](C)O1 ZINC000301721842 336325516 /nfs/dbraw/zinc/32/55/16/336325516.db2.gz NEMLSYVFSDCRBS-ZIAGYGMSSA-N 0 3 321.852 3.513 20 30 DHEDHN Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nc1C#N ZINC000302610366 336362522 /nfs/dbraw/zinc/36/25/22/336362522.db2.gz DUIKRAHXMOZCEN-FUHWJXTLSA-N 0 3 320.440 3.727 20 30 DHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCO[C@H](C)C1 ZINC000352901256 336375345 /nfs/dbraw/zinc/37/53/45/336375345.db2.gz JDEWNLZESCIYAJ-IAGOWNOFSA-N 0 3 305.466 3.657 20 30 DHEDHN C=CCc1cc(CNCc2cccc(C#N)c2)cc(OC)c1OC ZINC000105478165 336387695 /nfs/dbraw/zinc/38/76/95/336387695.db2.gz QXAUVXMKYVLTCW-UHFFFAOYSA-N 0 3 322.408 3.594 20 30 DHEDHN COc1cc(CNCc2c(C)c3ccccc3n2C)ccc1C#N ZINC000441373105 336397368 /nfs/dbraw/zinc/39/73/68/336397368.db2.gz AHTJJCRWNPMYBX-UHFFFAOYSA-N 0 3 319.408 3.657 20 30 DHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)OCCO2 ZINC000353260110 336408779 /nfs/dbraw/zinc/40/87/79/336408779.db2.gz SSUYHOGSZAHWSZ-UGSOOPFHSA-N 0 3 320.392 3.668 20 30 DHEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)OCCO2 ZINC000353260097 336408785 /nfs/dbraw/zinc/40/87/85/336408785.db2.gz SSUYHOGSZAHWSZ-ACJLOTCBSA-N 0 3 320.392 3.668 20 30 DHEDHN CCN(CC)[C@H](CN[C@H]1CCc2ccc(C#N)cc21)c1ccco1 ZINC000353390950 336414995 /nfs/dbraw/zinc/41/49/95/336414995.db2.gz VVRCAGXDPOWVTJ-RBUKOAKNSA-N 0 3 323.440 3.811 20 30 DHEDHN C=C[C@@H](CO)N[C@@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000353564729 336425286 /nfs/dbraw/zinc/42/52/86/336425286.db2.gz HXYNZOAAHZGOLS-SWLSCSKDSA-N 0 3 324.262 3.698 20 30 DHEDHN C=CCC[C@H](NCCCNC(=O)c1occc1C)c1ccco1 ZINC000356059018 336534015 /nfs/dbraw/zinc/53/40/15/336534015.db2.gz LRFMCEHJIZWMIV-HNNXBMFYSA-N 0 3 316.401 3.598 20 30 DHEDHN C[C@@H](NCC1([C@@H](C)CCO)CCC1)c1ccc(C#N)cc1F ZINC000358566980 336634795 /nfs/dbraw/zinc/63/47/95/336634795.db2.gz INYKCIMRLZFRNZ-UONOGXRCSA-N 0 3 304.409 3.537 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(CO)c(F)c1 ZINC000360646024 336717141 /nfs/dbraw/zinc/71/71/41/336717141.db2.gz GENZFUKUURQJBS-HXUWFJFHSA-N 0 3 324.399 3.747 20 30 DHEDHN CN(C)c1ncccc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360838173 336723812 /nfs/dbraw/zinc/72/38/12/336723812.db2.gz SZCIEONPJAQIPF-IBGZPJMESA-N 0 3 320.440 3.577 20 30 DHEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCc1ccc(C#N)o1)CC3 ZINC000361905169 336777634 /nfs/dbraw/zinc/77/76/34/336777634.db2.gz CMYGWJHHXCDCOE-ZDUSSCGKSA-N 0 3 305.381 3.588 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(-n3ccnc3C)c(F)c2)cc1 ZINC000368025978 336835179 /nfs/dbraw/zinc/83/51/79/336835179.db2.gz ZBCDMWFIDGACRX-UHFFFAOYSA-N 0 3 319.383 3.591 20 30 DHEDHN N#Cc1cc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)ccc1F ZINC000371554473 336908007 /nfs/dbraw/zinc/90/80/07/336908007.db2.gz QDPDUDLBTQOWMC-VQIMIIECSA-N 0 3 310.372 3.565 20 30 DHEDHN Cc1cc(C)nc(C2CCN(CCCCC(C)(C)C#N)CC2)n1 ZINC000375702264 337017186 /nfs/dbraw/zinc/01/71/86/337017186.db2.gz GQJJSKXJVKWZQZ-UHFFFAOYSA-N 0 3 314.477 3.993 20 30 DHEDHN C=C[C@H](C)NCc1cc(Br)c(OCC)c(OC)c1 ZINC000123181964 337038931 /nfs/dbraw/zinc/03/89/31/337038931.db2.gz TWJZUUVZSRVPNB-JTQLQIEISA-N 0 3 314.223 3.521 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000376957589 337044084 /nfs/dbraw/zinc/04/40/84/337044084.db2.gz XGWMMXHQBUWBRG-MJGOQNOKSA-N 0 3 314.473 3.617 20 30 DHEDHN CN1CCC[C@@H](CNc2cccnc2C#N)[C@@H]1c1cccs1 ZINC000378062144 337065761 /nfs/dbraw/zinc/06/57/61/337065761.db2.gz SLTFLNDTIHQORP-SUMWQHHRSA-N 0 3 312.442 3.510 20 30 DHEDHN C[C@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(C#N)cc1Cl ZINC000378152835 337067228 /nfs/dbraw/zinc/06/72/28/337067228.db2.gz UJFJXDQTEYHYNQ-UZCIPKQKSA-N 0 3 312.800 3.521 20 30 DHEDHN Fc1ccc(C#CCN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000378526615 337075333 /nfs/dbraw/zinc/07/53/33/337075333.db2.gz QPODWIQGKOQQPF-ICSRJNTNSA-N 0 3 309.384 3.545 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000378574143 337075905 /nfs/dbraw/zinc/07/59/05/337075905.db2.gz GGTDEUIDTBYLDB-HNAYVOBHSA-N 0 3 316.408 3.916 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC)c1ccc(Cl)cc1 ZINC000218208340 337082696 /nfs/dbraw/zinc/08/26/96/337082696.db2.gz GUJCZAFELQCYAH-INIZCTEOSA-N 0 3 306.837 3.581 20 30 DHEDHN C=CCCCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000175691973 337147071 /nfs/dbraw/zinc/14/70/71/337147071.db2.gz BGMDQFCPTDHFFR-MRXNPFEDSA-N 0 3 300.446 3.685 20 30 DHEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418342706 337150660 /nfs/dbraw/zinc/15/06/60/337150660.db2.gz FHZVGBURBJLJKE-MSOLQXFVSA-N 0 3 315.461 3.560 20 30 DHEDHN C=CCC[C@@H](CO)NCc1cc(Br)ccc1Cl ZINC000321010296 337164933 /nfs/dbraw/zinc/16/49/33/337164933.db2.gz MILNLBBLVFJTRD-LBPRGKRZSA-N 0 3 318.642 3.519 20 30 DHEDHN C=CCSCCN[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000180455319 337174774 /nfs/dbraw/zinc/17/47/74/337174774.db2.gz XIFYSFKNJSWPIR-ZDUSSCGKSA-N 0 3 319.449 3.890 20 30 DHEDHN Cc1ccc(OC2CCN(CCCC(C)(C)C#N)CC2)nc1 ZINC000181541433 337182915 /nfs/dbraw/zinc/18/29/15/337182915.db2.gz HZQHCPMIBLNCTG-UHFFFAOYSA-N 0 3 301.434 3.563 20 30 DHEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1-n1cccn1 ZINC000183141263 337190221 /nfs/dbraw/zinc/19/02/21/337190221.db2.gz NDXCLHVETRYXQO-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN C[C@H](NCc1ccccc1-n1ccnc1)c1ccc(C#N)s1 ZINC000183255686 337192669 /nfs/dbraw/zinc/19/26/69/337192669.db2.gz UJZQALFRDSWNBU-ZDUSSCGKSA-N 0 3 308.410 3.656 20 30 DHEDHN CC[C@]1(CNCc2ccc(C#N)cc2)OCCc2ccccc21 ZINC000582993839 337223369 /nfs/dbraw/zinc/22/33/69/337223369.db2.gz ZFIVPSDCOJWZKT-HXUWFJFHSA-N 0 3 306.409 3.526 20 30 DHEDHN Cc1ccccc1C[C@@H](C)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583028753 337230790 /nfs/dbraw/zinc/23/07/90/337230790.db2.gz UHIGXVAINOLZLN-OAHLLOKOSA-N 0 3 323.396 3.838 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000189924607 337283615 /nfs/dbraw/zinc/28/36/15/337283615.db2.gz SVCWOYJXYIEGEC-PBHICJAKSA-N 0 3 306.475 3.604 20 30 DHEDHN CCN(C)c1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000191233233 337295034 /nfs/dbraw/zinc/29/50/34/337295034.db2.gz PODBQLYKIRBULB-UHFFFAOYSA-N 0 3 322.456 3.820 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191969547 337301548 /nfs/dbraw/zinc/30/15/48/337301548.db2.gz AWRUSYYVXSGIRG-UHFFFAOYSA-N 0 3 307.372 3.980 20 30 DHEDHN N#Cc1ccc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1F ZINC000192160882 337303446 /nfs/dbraw/zinc/30/34/46/337303446.db2.gz DGKDUVZQBBWQPU-UZLBHIALSA-N 0 3 324.399 3.955 20 30 DHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1-n1cccn1 ZINC000192157098 337303517 /nfs/dbraw/zinc/30/35/17/337303517.db2.gz NCPHXJLTZFSQFI-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN CCOc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H](C#N)C1)CCO2 ZINC000193305956 337309719 /nfs/dbraw/zinc/30/97/19/337309719.db2.gz QCRDKTKKDNTOTE-JJRVBVJISA-N 0 3 300.402 3.581 20 30 DHEDHN CN(CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000583310373 337313496 /nfs/dbraw/zinc/31/34/96/337313496.db2.gz PJPPRWMEZDEUAO-GXTWGEPZSA-N 0 3 312.335 3.708 20 30 DHEDHN C#CCCCCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000119862315 337395107 /nfs/dbraw/zinc/39/51/07/337395107.db2.gz BUHFJDFBYAPVJM-KRWDZBQOSA-N 0 3 312.457 3.522 20 30 DHEDHN CC(C)(C#N)CCN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000119941994 337395220 /nfs/dbraw/zinc/39/52/20/337395220.db2.gz RNXKGEOHJZOOFX-UHFFFAOYSA-N 0 3 314.355 3.548 20 30 DHEDHN CCN(CC)[C@H](CNc1ncc2c(c1C#N)CCC2)c1ccco1 ZINC000425206785 337438829 /nfs/dbraw/zinc/43/88/29/337438829.db2.gz CYLRSQWABGBEMA-QGZVFWFLSA-N 0 3 324.428 3.530 20 30 DHEDHN CCN(CC)Cc1cccc(NC(=O)c2sccc2C#N)c1 ZINC000052030367 337446951 /nfs/dbraw/zinc/44/69/51/337446951.db2.gz JMRGFBQFALXVGI-UHFFFAOYSA-N 0 3 313.426 3.714 20 30 DHEDHN C=CCSCCNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000222059782 337458840 /nfs/dbraw/zinc/45/88/40/337458840.db2.gz FZEXKPFALZTHKI-UHFFFAOYSA-N 0 3 313.850 3.510 20 30 DHEDHN CC(C)(C)c1nc(CCNCc2ccc(C#N)c(F)c2)cs1 ZINC000421344043 337527655 /nfs/dbraw/zinc/52/76/55/337527655.db2.gz RNPVCSWOCKOICS-UHFFFAOYSA-N 0 3 317.433 3.784 20 30 DHEDHN N#CCCn1cc(CNCc2cccs2)c(-c2ccccc2)n1 ZINC000072725824 337548332 /nfs/dbraw/zinc/54/83/32/337548332.db2.gz KQPVBAIBRQXLJF-UHFFFAOYSA-N 0 3 322.437 3.815 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000266101907 337633864 /nfs/dbraw/zinc/63/38/64/337633864.db2.gz LENDGUDQWCJQCQ-AWEZNQCLSA-N 0 3 320.864 3.600 20 30 DHEDHN C=C(C)CN1CCC(Nc2nc(C(F)(F)F)cs2)CC1 ZINC000269359942 337636278 /nfs/dbraw/zinc/63/62/78/337636278.db2.gz MFIYDSTZLYWVCI-UHFFFAOYSA-N 0 3 305.369 3.614 20 30 DHEDHN Cc1cc(CNC[C@H]2CSc3ccccc3O2)ccc1C#N ZINC000580444871 337676382 /nfs/dbraw/zinc/67/63/82/337676382.db2.gz YFVZIGBOHZUKLS-INIZCTEOSA-N 0 3 310.422 3.510 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc3c1CCCN3)CC2 ZINC000423408736 337716085 /nfs/dbraw/zinc/71/60/85/337716085.db2.gz AXZUGRFLBWQJOA-FQEVSTJZSA-N 0 3 303.409 3.693 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1F ZINC000527748907 337761261 /nfs/dbraw/zinc/76/12/61/337761261.db2.gz GLEJWCRCESAYDQ-CGTJXYLNSA-N 0 3 312.775 3.779 20 30 DHEDHN CC(C)O[C@@]1(C)C[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000527802377 337764880 /nfs/dbraw/zinc/76/48/80/337764880.db2.gz OMPJJMVCYNOURI-CABCVRRESA-N 0 3 312.335 3.623 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(-c2c(F)cccc2F)o1 ZINC000424180030 337799955 /nfs/dbraw/zinc/79/99/55/337799955.db2.gz ZXNSYWJNIOAFSY-LRDDRELGSA-N 0 3 319.351 3.906 20 30 DHEDHN C/C(=C/c1ccccc1OC(F)F)CN[C@@H]1CC[C@H](C#N)C1 ZINC000424208344 337809696 /nfs/dbraw/zinc/80/96/96/337809696.db2.gz ZDYHOUZOLGXYAA-UGQYRENISA-N 0 3 306.356 3.973 20 30 DHEDHN CC(C)NC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424335029 337822595 /nfs/dbraw/zinc/82/25/95/337822595.db2.gz WHHDUISGGHOCRQ-GRDNDAEWSA-N 0 3 314.433 3.559 20 30 DHEDHN COc1ccc([C@H](C)CCNCc2ccc(C#N)cc2F)cc1 ZINC000533309525 337840587 /nfs/dbraw/zinc/84/05/87/337840587.db2.gz DFEQHBJNEHOQBA-CQSZACIVSA-N 0 3 312.388 3.989 20 30 DHEDHN Cc1ccc(SCCNCc2ccc(C#N)cc2F)cc1 ZINC000533311648 337840751 /nfs/dbraw/zinc/84/07/51/337840751.db2.gz PUANZMOHMRMSAC-UHFFFAOYSA-N 0 3 300.402 3.888 20 30 DHEDHN C[C@@H](NCCOc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000537293486 337928765 /nfs/dbraw/zinc/92/87/65/337928765.db2.gz UQNUUXZVCKRXNX-CYBMUJFWSA-N 0 3 300.789 3.941 20 30 DHEDHN C[C@@H](NCCN1c2ccccc2C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000537408186 337933871 /nfs/dbraw/zinc/93/38/71/337933871.db2.gz YJNPIMMONUMHSQ-HUUCEWRRSA-N 0 3 323.415 3.799 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2coc3c2cccc3C)CC1 ZINC000424657233 337944123 /nfs/dbraw/zinc/94/41/23/337944123.db2.gz ZRVYANXHEQQRHS-UHFFFAOYSA-N 0 3 312.413 3.512 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000429842488 338036630 /nfs/dbraw/zinc/03/66/30/338036630.db2.gz TUDDWCLOSWEPCA-GOSISDBHSA-N 0 3 314.473 3.542 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(C(C)C)[C@H](C)c1ccccc1 ZINC000428849282 338062135 /nfs/dbraw/zinc/06/21/35/338062135.db2.gz KWMQTAJGBLURBY-QGZVFWFLSA-N 0 3 302.462 3.883 20 30 DHEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)c1ccccc1 ZINC000428851556 338062393 /nfs/dbraw/zinc/06/23/93/338062393.db2.gz RXUDLVLIWRZOTC-APWZRJJASA-N 0 3 315.461 3.512 20 30 DHEDHN CC(C)(NCCCOc1cccc(C#N)c1)c1ccccc1F ZINC000429255893 338074970 /nfs/dbraw/zinc/07/49/70/338074970.db2.gz QYSSCVUJWYRQEV-UHFFFAOYSA-N 0 3 312.388 3.991 20 30 DHEDHN C=CCN(C)CCN(CC)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000429705353 338087751 /nfs/dbraw/zinc/08/77/51/338087751.db2.gz CZARRTYZCMZJLH-MRXNPFEDSA-N 0 3 313.445 3.842 20 30 DHEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000429895547 338091671 /nfs/dbraw/zinc/09/16/71/338091671.db2.gz LWPIAKMUTQLWFB-DOTOQJQBSA-N 0 3 300.446 3.540 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCCCc1ccccc1 ZINC000433114457 338182194 /nfs/dbraw/zinc/18/21/94/338182194.db2.gz NJMXBUJCYHCGAK-IBGZPJMESA-N 0 3 306.409 3.508 20 30 DHEDHN N#Cc1ccc(CNC[C@H]2CCCN(c3ccccc3)C2)c(F)c1 ZINC000433201358 338185569 /nfs/dbraw/zinc/18/55/69/338185569.db2.gz WBMWYRFNYCYAEC-QGZVFWFLSA-N 0 3 323.415 3.704 20 30 DHEDHN CCN(Cc1cccs1)C(=O)C(C#N)CCc1ccccc1 ZINC000433223523 338186544 /nfs/dbraw/zinc/18/65/44/338186544.db2.gz PXRYRVRYLHODMF-INIZCTEOSA-N 0 3 312.438 3.869 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000433314446 338191716 /nfs/dbraw/zinc/19/17/16/338191716.db2.gz AORCTTPTZZGICZ-LPHOPBHVSA-N 0 3 322.383 3.702 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(C)cc1Br ZINC000435744639 338247604 /nfs/dbraw/zinc/24/76/04/338247604.db2.gz YGWJGAWNPUISIQ-ZBFHGGJFSA-N 0 3 324.262 3.828 20 30 DHEDHN C=CCC[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000435755411 338248022 /nfs/dbraw/zinc/24/80/22/338248022.db2.gz JHCWTVAFWCFAKI-NUJGCVRESA-N 0 3 300.446 3.683 20 30 DHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2c(C#N)cccc2C#N)C1 ZINC000436317716 338268882 /nfs/dbraw/zinc/26/88/82/338268882.db2.gz NFHYXSKRFZUKBR-HNAYVOBHSA-N 0 3 316.408 3.677 20 30 DHEDHN C[C@H](NC1CCC(Oc2ncccc2C#N)CC1)c1ccco1 ZINC000437081081 338299699 /nfs/dbraw/zinc/29/96/99/338299699.db2.gz WXTBQDUSPBCQRG-JEYLPNPQSA-N 0 3 311.385 3.587 20 30 DHEDHN C[C@@H](NC[C@@H]1Cc2ccccc2N(C)C1)c1ccc(C#N)cc1F ZINC000437081248 338299868 /nfs/dbraw/zinc/29/98/68/338299868.db2.gz YFDACTJXWUZHPW-ZBFHGGJFSA-N 0 3 323.415 3.657 20 30 DHEDHN CCCN(CC#Cc1ccc(F)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000438062774 338329513 /nfs/dbraw/zinc/32/95/13/338329513.db2.gz XOCYEHYRKPDBOI-OTWHNJEPSA-N 0 3 315.432 3.703 20 30 DHEDHN OCCCN(CC#Cc1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC000438125863 338333596 /nfs/dbraw/zinc/33/35/96/338333596.db2.gz JBIBMPBIFWAIDS-OAQYLSRUSA-N 0 3 323.411 3.549 20 30 DHEDHN C=CCC1(C(=O)NCc2ccccc2CN(C)C)CCCCC1 ZINC000448597306 338334459 /nfs/dbraw/zinc/33/44/59/338334459.db2.gz OJPDWSBJUZBOEK-UHFFFAOYSA-N 0 3 314.473 3.891 20 30 DHEDHN CC1(C)[C@@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)C[C@@H]21 ZINC000438175997 338334900 /nfs/dbraw/zinc/33/49/00/338334900.db2.gz QCIAAJPEYKCLND-GASCZTMLSA-N 0 3 309.331 3.525 20 30 DHEDHN CN(CC#Cc1ccc(F)cc1)C1CCN(c2ccccc2)CC1 ZINC000439011137 338358401 /nfs/dbraw/zinc/35/84/01/338358401.db2.gz YBOVXWCATLEPBZ-UHFFFAOYSA-N 0 3 322.427 3.778 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000439439691 338369523 /nfs/dbraw/zinc/36/95/23/338369523.db2.gz MUFOSCVAEFHPQL-IRXDYDNUSA-N 0 3 306.837 3.895 20 30 DHEDHN CC[C@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000447589690 338560132 /nfs/dbraw/zinc/56/01/32/338560132.db2.gz YQOMZAUSLOUAST-BBRMVZONSA-N 0 3 302.418 3.719 20 30 DHEDHN C=C(C)COCCNCc1cnc(CCc2ccccc2)s1 ZINC000449183236 338600240 /nfs/dbraw/zinc/60/02/40/338600240.db2.gz FDTYCDCKYCWDES-UHFFFAOYSA-N 0 3 316.470 3.611 20 30 DHEDHN Clc1ccccc1C#CCN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450857912 338708892 /nfs/dbraw/zinc/70/88/92/338708892.db2.gz KECHUGGDFSXOFQ-CGTJXYLNSA-N 0 3 315.844 3.629 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(Cl)c1 ZINC000450862211 338709073 /nfs/dbraw/zinc/70/90/73/338709073.db2.gz OOUKFHARPRXXDT-USXIJHARSA-N 0 3 316.832 3.649 20 30 DHEDHN C=CCC1(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)CCCCC1 ZINC000451686222 338741976 /nfs/dbraw/zinc/74/19/76/338741976.db2.gz DTPYJYUPLSJGMS-DLBZAZTESA-N 0 3 304.478 3.598 20 30 DHEDHN Cc1c([C@H](C)N[C@H]2CC[C@@H](CC#N)C2)nnn1-c1ccc(C)cc1 ZINC000453290606 338819425 /nfs/dbraw/zinc/81/94/25/338819425.db2.gz KQDCHMXLOUJSFJ-XIRDDKMYSA-N 0 3 323.444 3.617 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453336900 338827030 /nfs/dbraw/zinc/82/70/30/338827030.db2.gz GCQXTXBYMCJPGZ-SXLOBPIMSA-N 0 3 323.440 3.573 20 30 DHEDHN CCN(Cc1cc(=O)[nH]c(C2CC2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000459306054 339020489 /nfs/dbraw/zinc/02/04/89/339020489.db2.gz PTOLJDZCCIBRLA-CYBMUJFWSA-N 0 3 322.412 3.514 20 30 DHEDHN C=C(CNCc1ccccc1N1CCO[C@@H](C)C1)c1ccccc1 ZINC000459390176 339026514 /nfs/dbraw/zinc/02/65/14/339026514.db2.gz SDOSMGOZQLUSTR-SFHVURJKSA-N 0 3 322.452 3.715 20 30 DHEDHN N#C[C@@H]1CCC[C@H]1NCCCc1ccccc1Br ZINC000459482055 339031873 /nfs/dbraw/zinc/03/18/73/339031873.db2.gz QRMUMJBSRRILSC-DZGCQCFKSA-N 0 3 307.235 3.664 20 30 DHEDHN CCCOc1ccc(CNCC(C)(C)CC#N)cc1OCC ZINC000459696398 339043425 /nfs/dbraw/zinc/04/34/25/339043425.db2.gz PLGIPOBKMFAGKI-UHFFFAOYSA-N 0 3 304.434 3.904 20 30 DHEDHN CC(C)(CC#N)CNCc1cccc(OCC(F)(F)F)c1 ZINC000459707343 339043762 /nfs/dbraw/zinc/04/37/62/339043762.db2.gz ZVEOBNHUYCZAPO-UHFFFAOYSA-N 0 3 300.324 3.657 20 30 DHEDHN CCO[C@@H]1C[C@@H](NCC(C)(C)CC#N)[C@H]1Sc1ccccc1 ZINC000459733291 339044945 /nfs/dbraw/zinc/04/49/45/339044945.db2.gz PTLWOLKCLMCPHF-BRWVUGGUSA-N 0 3 318.486 3.854 20 30 DHEDHN CCO[C@@H]1C[C@H](NCC(C)(C)CC#N)[C@H]1Sc1ccccc1 ZINC000459733296 339045035 /nfs/dbraw/zinc/04/50/35/339045035.db2.gz PTLWOLKCLMCPHF-GVDBMIGSSA-N 0 3 318.486 3.854 20 30 DHEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C12CCC2 ZINC000459797521 339049105 /nfs/dbraw/zinc/04/91/05/339049105.db2.gz WYNJLTNURIPVKY-LSDHHAIUSA-N 0 3 324.346 3.624 20 30 DHEDHN CCC[C@@H]([NH2+][C@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N)C1CCC1 ZINC000459807985 339049382 /nfs/dbraw/zinc/04/93/82/339049382.db2.gz RSGMZZZOSGJNTP-MLGOLLRUSA-N 0 3 317.433 3.654 20 30 DHEDHN C=CCC[C@@H](CCC)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000462855603 339094328 /nfs/dbraw/zinc/09/43/28/339094328.db2.gz NZSUXPWOXRREFR-MJGOQNOKSA-N 0 3 302.462 3.800 20 30 DHEDHN CC(C)N(CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000463232750 339110699 /nfs/dbraw/zinc/11/06/99/339110699.db2.gz IRSRUXYDFZYFRQ-INIZCTEOSA-N 0 3 311.347 3.556 20 30 DHEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000467294573 339230136 /nfs/dbraw/zinc/23/01/36/339230136.db2.gz AISMUUKFNNPINU-CVEARBPZSA-N 0 3 310.441 3.913 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000467505983 339240476 /nfs/dbraw/zinc/24/04/76/339240476.db2.gz YNBZXDXIEJYXJQ-HKUYNNGSSA-N 0 3 302.462 3.570 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000467840974 339247400 /nfs/dbraw/zinc/24/74/00/339247400.db2.gz KKWKSZVUZFUUAC-AZUAARDMSA-N 0 3 314.473 3.850 20 30 DHEDHN N#Cc1ccc(CNCCc2ccccc2OC(F)F)c(F)c1 ZINC000471544445 339347142 /nfs/dbraw/zinc/34/71/42/339347142.db2.gz ASARHOIOSDGEOP-UHFFFAOYSA-N 0 3 320.314 3.631 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000473117612 339381405 /nfs/dbraw/zinc/38/14/05/339381405.db2.gz HDJZSJBZPJWXRQ-OAQYLSRUSA-N 0 3 321.420 3.883 20 30 DHEDHN CC(C)C[C@H]1OCCC[C@H]1NCC#Cc1ccccc1Cl ZINC000481748826 339612903 /nfs/dbraw/zinc/61/29/03/339612903.db2.gz JYJGMQBTWVNYSM-QZTJIDSGSA-N 0 3 305.849 3.875 20 30 DHEDHN C#C[C@H](N[C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000491508195 339864822 /nfs/dbraw/zinc/86/48/22/339864822.db2.gz YVIZPQRLINOSOE-MELADBBJSA-N 0 3 317.738 3.714 20 30 DHEDHN C=CC[C@@H](CO)CN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000495063636 339972109 /nfs/dbraw/zinc/97/21/09/339972109.db2.gz HEDGMVJVASEQTJ-OXQOHEQNSA-N 0 3 311.425 3.559 20 30 DHEDHN CC(C)N(CCC#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496730030 340011492 /nfs/dbraw/zinc/01/14/92/340011492.db2.gz IEDZOPGETJPVCP-JKSUJKDBSA-N 0 3 323.481 3.646 20 30 DHEDHN CC#CCCNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000499208502 340032415 /nfs/dbraw/zinc/03/24/15/340032415.db2.gz BFOQTCVZAYWXCI-UHFFFAOYSA-N 0 3 314.816 3.817 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000501208805 340076287 /nfs/dbraw/zinc/07/62/87/340076287.db2.gz ZHJKRCNUMDPHCT-KRWDZBQOSA-N 0 3 324.399 3.771 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](c1ccc(F)cc1)C(C)C ZINC000502563219 340107818 /nfs/dbraw/zinc/10/78/18/340107818.db2.gz LFSPLKQEMUNNEY-QAPCUYQASA-N 0 3 320.452 3.926 20 30 DHEDHN N#Cc1ccccc1OCCN1CC[C@H](c2ccccc2F)C1 ZINC000503595489 340131955 /nfs/dbraw/zinc/13/19/55/340131955.db2.gz YIMDSNDBDYGNQF-INIZCTEOSA-N 0 3 310.372 3.566 20 30 DHEDHN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1ccc(C#N)c(F)c1 ZINC000503953587 340138470 /nfs/dbraw/zinc/13/84/70/340138470.db2.gz PMYKLQCCMQAOTP-VCTAVGKDSA-N 0 3 312.335 3.898 20 30 DHEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC000507022538 340205592 /nfs/dbraw/zinc/20/55/92/340205592.db2.gz OXQGNAWHQUCCHR-GOEBONIOSA-N 0 3 309.388 3.945 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000507896391 340235434 /nfs/dbraw/zinc/23/54/34/340235434.db2.gz SDZLVFPRCLGHCY-HZPDHXFCSA-N 0 3 324.424 3.820 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510555936 340302633 /nfs/dbraw/zinc/30/26/33/340302633.db2.gz WOMCWJQUMRJKSZ-SZVBFZGTSA-N 0 3 302.462 3.705 20 30 DHEDHN C=CCCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510576127 340303102 /nfs/dbraw/zinc/30/31/02/340303102.db2.gz BXQMHBITXGEZNC-LJQANCHMSA-N 0 3 314.473 3.556 20 30 DHEDHN C=CCOc1ccc(CNCc2cc3ccccc3[nH]c2=O)cc1 ZINC000512502315 340364405 /nfs/dbraw/zinc/36/44/05/340364405.db2.gz YGMKDPWNUHDZGK-UHFFFAOYSA-N 0 3 320.392 3.795 20 30 DHEDHN C=CCOc1ccc(CNCc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000512516146 340365093 /nfs/dbraw/zinc/36/50/93/340365093.db2.gz AMTYTJPJQGPNQQ-UHFFFAOYSA-N 0 3 319.408 3.931 20 30 DHEDHN CN(C)c1ccccc1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000173582609 340368131 /nfs/dbraw/zinc/36/81/31/340368131.db2.gz UAAUPYDNKGXSCL-UHFFFAOYSA-N 0 3 305.425 3.789 20 30 DHEDHN C[C@@H](N[C@H]1CCOC2(CCCC2)C1)c1ccc(C#N)cc1F ZINC000512640933 340370520 /nfs/dbraw/zinc/37/05/20/340370520.db2.gz BNKIEAAGHNLCLM-HIFRSBDPSA-N 0 3 302.393 3.840 20 30 DHEDHN CN(CCCOCc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000404075916 340376923 /nfs/dbraw/zinc/37/69/23/340376923.db2.gz NMARXZKXQKGJJB-UHFFFAOYSA-N 0 3 312.388 3.736 20 30 DHEDHN COCCCOc1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000195204831 340576017 /nfs/dbraw/zinc/57/60/17/340576017.db2.gz HKNYUCKZZBNOAJ-INIZCTEOSA-N 0 3 324.424 3.824 20 30 DHEDHN CN(c1ccccc1)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000065956677 340839002 /nfs/dbraw/zinc/83/90/02/340839002.db2.gz UDNUCJRCRUKTHO-UHFFFAOYSA-N 0 3 305.425 3.659 20 30 DHEDHN C[C@@H](NCCOc1ccccc1Cl)c1cccc(C#N)c1 ZINC000539510716 340888741 /nfs/dbraw/zinc/88/87/41/340888741.db2.gz MRZDDPOLPXRKOL-CYBMUJFWSA-N 0 3 300.789 3.941 20 30 DHEDHN C=C(C)COc1cc(CN(C)[C@H]2CCSC2)ccc1OC ZINC000130639317 341035685 /nfs/dbraw/zinc/03/56/85/341035685.db2.gz XGFAPVGMRCKFAN-HNNXBMFYSA-N 0 3 307.459 3.587 20 30 DHEDHN COc1ccc(C#N)cc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000543414841 341043278 /nfs/dbraw/zinc/04/32/78/341043278.db2.gz AWWLDHNHNFBBAJ-GOSISDBHSA-N 0 3 321.424 3.643 20 30 DHEDHN C=CCC[C@@H](C)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000543600952 341050639 /nfs/dbraw/zinc/05/06/39/341050639.db2.gz DRNRNNKFYJJKLA-OAHLLOKOSA-N 0 3 323.502 3.702 20 30 DHEDHN CC[C@H](c1ccccc1)N1CCN(c2ccccc2C#N)CC1 ZINC000072073559 341060901 /nfs/dbraw/zinc/06/09/01/341060901.db2.gz RQKXTKQQDXWQHW-LJQANCHMSA-N 0 3 305.425 3.832 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000544895872 341097907 /nfs/dbraw/zinc/09/79/07/341097907.db2.gz UJSHZWXJNRDMEY-IRXDYDNUSA-N 0 3 300.446 3.543 20 30 DHEDHN CC(C)(C#N)CCN1CC[C@H](OCCCc2ccccc2)C1 ZINC000131784444 341111580 /nfs/dbraw/zinc/11/15/80/341111580.db2.gz JCDVZSZSBBQUIY-SFHVURJKSA-N 0 3 300.446 3.650 20 30 DHEDHN C=CCN(CCC(=O)Nc1ccccc1)Cc1cccs1 ZINC000074022357 341125481 /nfs/dbraw/zinc/12/54/81/341125481.db2.gz XKARHRNFIJGUDQ-UHFFFAOYSA-N 0 3 300.427 3.765 20 30 DHEDHN CC[C@@H](CCc1ccc(Br)cc1)NC[C@@H](C)C#N ZINC000133032483 341152350 /nfs/dbraw/zinc/15/23/50/341152350.db2.gz HMWUJJAJPXGJKR-WFASDCNBSA-N 0 3 309.251 3.910 20 30 DHEDHN CC[C@H]1CN(CCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000546104352 341154061 /nfs/dbraw/zinc/15/40/61/341154061.db2.gz IVPHASQIRCPTEU-IBGZPJMESA-N 0 3 313.489 3.913 20 30 DHEDHN C[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccc(C#N)cc1 ZINC000075755613 341182035 /nfs/dbraw/zinc/18/20/35/341182035.db2.gz KAJXDYNTGGKNRL-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN CCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000075755627 341182093 /nfs/dbraw/zinc/18/20/93/341182093.db2.gz AEMZJOQHURFCBT-AWEZNQCLSA-N 0 3 310.397 3.816 20 30 DHEDHN C=CC[C@@H](CO)NCc1cccc(OCC2CCCCC2)c1 ZINC000547375445 341209766 /nfs/dbraw/zinc/20/97/66/341209766.db2.gz JQQNKVIHHNREMD-SFHVURJKSA-N 0 3 303.446 3.672 20 30 DHEDHN C[C@H](CNCc1cccc(C#N)c1)Oc1cccc(Cl)c1 ZINC000237547793 341215670 /nfs/dbraw/zinc/21/56/70/341215670.db2.gz GWPGHECYDXXSLE-CYBMUJFWSA-N 0 3 300.789 3.769 20 30 DHEDHN C=CCc1cc(CN(C)[C@@H](CC)CSC)cc(OC)c1O ZINC000564322775 341218140 /nfs/dbraw/zinc/21/81/40/341218140.db2.gz AKTOWVLPHYZVGB-HNNXBMFYSA-N 0 3 309.475 3.703 20 30 DHEDHN CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000548159476 341250287 /nfs/dbraw/zinc/25/02/87/341250287.db2.gz DSEBHIMMFMNFFO-HOCLYGCPSA-N 0 3 317.433 3.655 20 30 DHEDHN COC[C@H](CC(C)C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000548523171 341265778 /nfs/dbraw/zinc/26/57/78/341265778.db2.gz XSQWKLLPYOEQAO-INIZCTEOSA-N 0 3 313.363 3.708 20 30 DHEDHN C=CCC(C)(C)CNCc1c(C)nn(CC(C)C)c1OCC ZINC000549829442 341304356 /nfs/dbraw/zinc/30/43/56/341304356.db2.gz IXIHCUJGMYXXQY-UHFFFAOYSA-N 0 3 307.482 3.938 20 30 DHEDHN C=CCOCCN[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC000549928293 341307032 /nfs/dbraw/zinc/30/70/32/341307032.db2.gz NCQSAUWLDBJVNZ-HNNXBMFYSA-N 0 3 319.445 3.870 20 30 DHEDHN C=CCC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000552040416 341364020 /nfs/dbraw/zinc/36/40/20/341364020.db2.gz HQNWVURZDYYBJE-MRXNPFEDSA-N 0 3 316.357 3.864 20 30 DHEDHN C=CCC[C@@H](NC[C@H](CC(C)C)N1CCOCC1)c1ccco1 ZINC000552224240 341379498 /nfs/dbraw/zinc/37/94/98/341379498.db2.gz OVIFGATVYMMTDV-ZWKOTPCHSA-N 0 3 320.477 3.623 20 30 DHEDHN C=CCCCCCN(C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000564390088 341382792 /nfs/dbraw/zinc/38/27/92/341382792.db2.gz OBAVERSTLKOHIW-QZTJIDSGSA-N 0 3 306.494 3.846 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248831204 341388085 /nfs/dbraw/zinc/38/80/85/341388085.db2.gz MNUDXSPOTWBJLA-DTJGQCLQSA-N 0 3 322.811 3.981 20 30 DHEDHN CCOc1cc2c(cc1CN[C@@H]1CCC[C@@H](C#N)C1)O[C@@H](C)C2 ZINC000248998695 341391589 /nfs/dbraw/zinc/39/15/89/341391589.db2.gz PRPGEIGSORJJPY-JJRVBVJISA-N 0 3 314.429 3.581 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000249079776 341393337 /nfs/dbraw/zinc/39/33/37/341393337.db2.gz LINANXOFZYVTBS-YXJHDRRASA-N 0 3 320.502 3.850 20 30 DHEDHN N#CCC[C@@H](C#N)CNCC1(c2cccs2)CCCCC1 ZINC000554962310 341470537 /nfs/dbraw/zinc/47/05/37/341470537.db2.gz JLZURQOEIXDXCW-HNNXBMFYSA-N 0 3 301.459 3.983 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1c2ccccc2C[C@H]1O ZINC000572574725 341549656 /nfs/dbraw/zinc/54/96/56/341549656.db2.gz JVROVAXWWZDWBD-PWRODBHTSA-N 0 3 318.420 3.574 20 30 DHEDHN CC[C@@]1(CNCc2ccc(C#N)c(C)c2)OCCc2ccccc21 ZINC000574004001 341745726 /nfs/dbraw/zinc/74/57/26/341745726.db2.gz GGTRKSGVYNLFKW-NRFANRHFSA-N 0 3 320.436 3.835 20 30 DHEDHN C[C@@H](NC[C@H]1CSc2ccccc2O1)c1ccc(C#N)cc1 ZINC000576754984 341861680 /nfs/dbraw/zinc/86/16/80/341861680.db2.gz NMHNBHUMVIUOBY-CJNGLKHVSA-N 0 3 310.422 3.762 20 30 DHEDHN CCc1ccc([C@H](CNCc2ccc(C#N)s2)N(C)C)cc1 ZINC000176940643 341905686 /nfs/dbraw/zinc/90/56/86/341905686.db2.gz HYCZNLREEUXYPH-SFHVURJKSA-N 0 3 313.470 3.575 20 30 DHEDHN N#Cc1csc(CN[C@H]2CCCN(c3cccc(F)c3)C2)c1 ZINC000177702725 341924270 /nfs/dbraw/zinc/92/42/70/341924270.db2.gz VTIMTHBBVBRJCS-HNNXBMFYSA-N 0 3 315.417 3.517 20 30 DHEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCSC1 ZINC000356089573 523214287 /nfs/dbraw/zinc/21/42/87/523214287.db2.gz QMMVDHCRQNSMDX-GFCCVEGCSA-N 0 3 300.349 3.514 20 30 DHEDHN CCc1ccc([C@@H](CNc2snc(C)c2C#N)N(C)C)cc1 ZINC000339970028 524029748 /nfs/dbraw/zinc/02/97/48/524029748.db2.gz MNDAPBPLRVROMV-MRXNPFEDSA-N 0 3 314.458 3.600 20 30 DHEDHN C[C@H](NCc1ccc(N2CCCCC2)nc1)c1ccc(C#N)cc1 ZINC000266435120 525444155 /nfs/dbraw/zinc/44/41/55/525444155.db2.gz FGZPDLDBWHRAGE-INIZCTEOSA-N 0 3 320.440 3.794 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H]1OCCc2sccc21 ZINC000366422081 525517629 /nfs/dbraw/zinc/51/76/29/525517629.db2.gz RQKRJVHQYFULIT-DIFFPNOSSA-N 0 3 316.401 3.551 20 30 DHEDHN C[C@H](N[C@H]1c2ccccc2CC[C@@H]1CO)c1cccc(C#N)c1 ZINC000365106015 525642128 /nfs/dbraw/zinc/64/21/28/525642128.db2.gz SIZUQIZAEWUUIF-BOUXLOLZSA-N 0 3 306.409 3.505 20 30 DHEDHN N#Cc1ccc(OCCN[C@H]2CCSc3ccccc32)cc1 ZINC000156163993 526676035 /nfs/dbraw/zinc/67/60/35/526676035.db2.gz OATSWWYFFDAAQC-KRWDZBQOSA-N 0 3 310.422 3.764 20 30 DHEDHN N#Cc1cccc(CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000182111472 526709900 /nfs/dbraw/zinc/70/99/00/526709900.db2.gz IRLGZKPJVDRLAV-ROUUACIJSA-N 0 3 312.800 3.831 20 30 DHEDHN Cn1cc(CN2CCC[C@H]3CCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000179985961 527203014 /nfs/dbraw/zinc/20/30/14/527203014.db2.gz VXCMEANFAWGFQY-APWZRJJASA-N 0 3 320.440 3.723 20 30 DHEDHN C=CCCCCN1CCN(c2ccc(Cl)c(OC)c2)CC1 ZINC001209206948 1013083443 /nfs/dbraw/zinc/08/34/43/1013083443.db2.gz CZNQUVDNDAYJTJ-UHFFFAOYSA-N 0 3 308.853 3.827 20 30 DHEDHN Cc1cc(C#N)ccc1NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000846752140 1032061991 /nfs/dbraw/zinc/06/19/91/1032061991.db2.gz DLNWNLXCUKSQAT-INIZCTEOSA-N 0 3 320.440 3.899 20 30 DHEDHN C=CCCCCCN1CC[C@@H](n2cc(Br)cn2)C1 ZINC001209431687 1013270752 /nfs/dbraw/zinc/27/07/52/1013270752.db2.gz RIMJNNAUJSWJRH-CQSZACIVSA-N 0 3 312.255 3.639 20 30 DHEDHN COCCCN(Cc1ccncc1)Cc1c(C)cc(C#N)cc1C ZINC000894463491 1013375181 /nfs/dbraw/zinc/37/51/81/1013375181.db2.gz WUEIWTQFEKWKRC-UHFFFAOYSA-N 0 3 323.440 3.609 20 30 DHEDHN C#C[C@H](N[C@@H](C)[C@H]1CCCOC1)c1ccc(Br)cc1 ZINC000894870057 1013571320 /nfs/dbraw/zinc/57/13/20/1013571320.db2.gz HSMZBMBMILZPRJ-NOLJZWGESA-N 0 3 322.246 3.528 20 30 DHEDHN C=C(Br)CN[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000164513336 1013577807 /nfs/dbraw/zinc/57/78/07/1013577807.db2.gz HLDPMRIQVMDBQY-CHWSQXEVSA-N 0 3 302.256 3.613 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(CCC)[C@@H]1CCc2ccccc21 ZINC000520172223 1013667507 /nfs/dbraw/zinc/66/75/07/1013667507.db2.gz YHJYBSQAKSSECU-LJQANCHMSA-N 0 3 314.473 3.811 20 30 DHEDHN C[C@@H](Cc1ccc(O)cc1)N(C)CC#Cc1ccccc1Cl ZINC000441181315 1013680641 /nfs/dbraw/zinc/68/06/41/1013680641.db2.gz XWFBCDVWNCOVDO-HNNXBMFYSA-N 0 3 313.828 3.960 20 30 DHEDHN CC#CCCN(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445884403 1017996138 /nfs/dbraw/zinc/99/61/38/1017996138.db2.gz HFHIHSFJOWONDI-CQSZACIVSA-N 0 3 308.219 3.618 20 30 DHEDHN CC(C)(C)OC(=O)Nc1ccsc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000895010646 1013773751 /nfs/dbraw/zinc/77/37/51/1013773751.db2.gz UMMNKOKSIQXMIW-NWDGAFQWSA-N 0 3 321.446 3.877 20 30 DHEDHN N#Cc1csc(CN[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000177682974 1013977407 /nfs/dbraw/zinc/97/74/07/1013977407.db2.gz DVQXTSTYFCJQMI-GOSISDBHSA-N 0 3 311.454 3.546 20 30 DHEDHN CC(C)[C@H]1CCCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075747730 1014214323 /nfs/dbraw/zinc/21/43/23/1014214323.db2.gz KTQTZZCSTFCSSP-MRXNPFEDSA-N 0 3 310.401 3.619 20 30 DHEDHN N#CCc1ccc(CN[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000580833366 1014391183 /nfs/dbraw/zinc/39/11/83/1014391183.db2.gz KGROHDJGEHJIRZ-SFHVURJKSA-N 0 3 310.372 3.895 20 30 DHEDHN CN1CCN(Cc2ccccc2C(C)(C)C#N)Cc2ccccc21 ZINC000487402796 1014500436 /nfs/dbraw/zinc/50/04/36/1014500436.db2.gz XGVMRZPLQRSUEB-UHFFFAOYSA-N 0 3 319.452 3.940 20 30 DHEDHN N#Cc1cccc(CNCc2c[nH]nc2-c2cccc(Cl)c2)c1 ZINC000151492272 1014591694 /nfs/dbraw/zinc/59/16/94/1014591694.db2.gz SWSPGUVFMWCJBJ-UHFFFAOYSA-N 0 3 322.799 3.892 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000520955907 1014621380 /nfs/dbraw/zinc/62/13/80/1014621380.db2.gz OGQOTDLMIMPQTK-RHSMWYFYSA-N 0 3 311.429 3.597 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CSc3ccc(Br)cc32)C1 ZINC000442851441 1014755235 /nfs/dbraw/zinc/75/52/35/1014755235.db2.gz DVMWTPGOINMNQC-SUZMYJTESA-N 0 3 323.259 3.878 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(Oc3ccccc3F)c2)C1 ZINC000442858101 1014757137 /nfs/dbraw/zinc/75/71/37/1014757137.db2.gz OCWIQCKIEOSCBP-HIFRSBDPSA-N 0 3 311.360 3.795 20 30 DHEDHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1cc(C#N)ccc1F ZINC000487423045 1014795652 /nfs/dbraw/zinc/79/56/52/1014795652.db2.gz VPLFACXBWSBEKZ-ZDUSSCGKSA-N 0 3 300.352 3.899 20 30 DHEDHN C[C@@H](c1cccc(F)c1)N(C)CCOCc1ccc(C#N)cc1 ZINC000522031243 1014866930 /nfs/dbraw/zinc/86/69/30/1014866930.db2.gz XBMYBWNZNMCNGZ-HNNXBMFYSA-N 0 3 312.388 3.907 20 30 DHEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000522083669 1014885030 /nfs/dbraw/zinc/88/50/30/1014885030.db2.gz JMKXYHAOPPFSJG-JKSUJKDBSA-N 0 3 314.473 3.713 20 30 DHEDHN C[C@@H]1CCC[C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1C ZINC000248553312 1015075914 /nfs/dbraw/zinc/07/59/14/1015075914.db2.gz JNTPVYMLFVZVTD-DVOMOZLQSA-N 0 3 310.401 3.523 20 30 DHEDHN C=CCOc1ccccc1CNc1ccc([C@@H]2CNCCO2)cc1 ZINC000656792825 1015162857 /nfs/dbraw/zinc/16/28/57/1015162857.db2.gz YNESPOOZDFRNNW-FQEVSTJZSA-N 0 3 324.424 3.524 20 30 DHEDHN C=CCCC1(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC000474390302 1015315102 /nfs/dbraw/zinc/31/51/02/1015315102.db2.gz ADVYVQUUJHAUHF-SFHVURJKSA-N 0 3 314.473 3.714 20 30 DHEDHN CCC(CC)[C@H](NCC(=O)N(CC)CCC#N)c1ccccc1 ZINC000341595361 1015574553 /nfs/dbraw/zinc/57/45/53/1015574553.db2.gz KJCVPESBOJBYEO-IBGZPJMESA-N 0 3 315.461 3.516 20 30 DHEDHN COC[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000341659733 1015646000 /nfs/dbraw/zinc/64/60/00/1015646000.db2.gz QHYIAGZITNRJBB-VQTJNVASSA-N 0 3 306.409 3.913 20 30 DHEDHN CCOc1ccc(O)c(/C=N/C[C@@H](c2ccccc2)N(C)C)c1 ZINC000022727997 1015709019 /nfs/dbraw/zinc/70/90/19/1015709019.db2.gz CATAHIUYIYPXRI-ACRNLXFHSA-N 0 3 312.413 3.513 20 30 DHEDHN CC(C)CC[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000535813578 1015833586 /nfs/dbraw/zinc/83/35/86/1015833586.db2.gz XZLUQAKTAWNPFQ-QGZVFWFLSA-N 0 3 310.445 3.997 20 30 DHEDHN COC(=O)C(C)(C)[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000610908905 1015939229 /nfs/dbraw/zinc/93/92/29/1015939229.db2.gz YILHNUJBNBTYGM-SFHVURJKSA-N 0 3 322.408 3.588 20 30 DHEDHN COc1ccc([C@@H](C)NCc2cc(C#N)cs2)c(C)c1OC ZINC000342271369 1016213702 /nfs/dbraw/zinc/21/37/02/1016213702.db2.gz CHHSMXVFEKNUSG-GFCCVEGCSA-N 0 3 316.426 3.796 20 30 DHEDHN COC1CCC(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000892200719 1016419730 /nfs/dbraw/zinc/41/97/30/1016419730.db2.gz HJCYQRLMJDTDRO-HFPIOELMSA-N 0 3 312.457 3.963 20 30 DHEDHN COc1cc(CN[C@H]2CCc3cc(Cl)ccc32)ccc1C#N ZINC000281635993 1016631846 /nfs/dbraw/zinc/63/18/46/1016631846.db2.gz IOVOZWMYUVMEOO-KRWDZBQOSA-N 0 3 312.800 3.997 20 30 DHEDHN COc1cc(CNCc2cccc(CSC)c2)ccc1C#N ZINC000281777365 1016714693 /nfs/dbraw/zinc/71/46/93/1016714693.db2.gz SUWIYJJABSQHSH-UHFFFAOYSA-N 0 3 312.438 3.720 20 30 DHEDHN CCCOc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000281792043 1016735306 /nfs/dbraw/zinc/73/53/06/1016735306.db2.gz UQOGYBOFDZZEAL-UHFFFAOYSA-N 0 3 310.397 3.645 20 30 DHEDHN C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185421253 1016907511 /nfs/dbraw/zinc/90/75/11/1016907511.db2.gz JTAWTPPTXQFDPQ-ZDUSSCGKSA-N 0 3 301.361 3.947 20 30 DHEDHN CC(C)c1nc(C2CCN(Cc3ccc(CC#N)cc3)CC2)no1 ZINC000342694007 1017020746 /nfs/dbraw/zinc/02/07/46/1017020746.db2.gz GBIHUSFNHJHNFI-UHFFFAOYSA-N 0 3 324.428 3.639 20 30 DHEDHN Cc1ncc([C@@H](C)N[C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000772960747 1032198419 /nfs/dbraw/zinc/19/84/19/1032198419.db2.gz VSFIMLKWBZURDX-VXGBXAGGSA-N 0 3 301.415 3.766 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1Cl)[C@@H]1CC[C@H](C)C1 ZINC000362170814 1032260549 /nfs/dbraw/zinc/26/05/49/1032260549.db2.gz SSRHTZDBIJSNBI-XJKSGUPXSA-N 0 3 306.837 3.849 20 30 DHEDHN C#C[C@H]1CCCN([C@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001171327120 1032378869 /nfs/dbraw/zinc/37/88/69/1032378869.db2.gz VDSKYQVCBHXUBZ-KBPBESRZSA-N 0 3 303.833 3.551 20 30 DHEDHN CCCCCCCCC/C=C/C(=O)N1CC[C@H](N2CCC2)C1 ZINC001148308596 1032384568 /nfs/dbraw/zinc/38/45/68/1032384568.db2.gz XTAOIDOZFHRWNZ-KSEUIEODSA-N 0 3 306.494 3.990 20 30 DHEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCC(C)(C)C)cc1 ZINC000103639488 1032412028 /nfs/dbraw/zinc/41/20/28/1032412028.db2.gz FYJKAXWNRKUIJE-HNNXBMFYSA-N 0 3 316.401 3.559 20 30 DHEDHN CC(C)CO[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000091964277 1032466573 /nfs/dbraw/zinc/46/65/73/1032466573.db2.gz XWBWCJZJZXWPDD-IBGZPJMESA-N 0 3 316.445 3.616 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)Cc1cccc2c[nH]nc21 ZINC000092217501 1032482255 /nfs/dbraw/zinc/48/22/55/1032482255.db2.gz KCZVARPEJPGKFC-UHFFFAOYSA-N 0 3 307.397 3.760 20 30 DHEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)CC1 ZINC000348170113 1032487863 /nfs/dbraw/zinc/48/78/63/1032487863.db2.gz QOUFPSUCYHVIHS-APWZRJJASA-N 0 3 314.473 3.931 20 30 DHEDHN C=C(Cl)CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000773006157 1032520603 /nfs/dbraw/zinc/52/06/03/1032520603.db2.gz VHRSHYLMXCIZEK-UHFFFAOYSA-N 0 3 317.235 3.786 20 30 DHEDHN C=C[C@@H](CC(=O)NC[C@H](c1ccccc1)N(C)C)c1ccccc1 ZINC000122508852 1032552962 /nfs/dbraw/zinc/55/29/62/1032552962.db2.gz LGOGHYHFWISVDK-FXAWDEMLSA-N 0 3 322.452 3.765 20 30 DHEDHN C#CC[C@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000773112901 1032563631 /nfs/dbraw/zinc/56/36/31/1032563631.db2.gz BNTNPRYETFPPLJ-BEFAXECRSA-N 0 3 318.420 3.987 20 30 DHEDHN C#CC[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000773112908 1032563780 /nfs/dbraw/zinc/56/37/80/1032563780.db2.gz BNTNPRYETFPPLJ-KXBFYZLASA-N 0 3 318.420 3.987 20 30 DHEDHN N#CC(C(=O)CCCOc1ccc(Cl)cc1)c1ccccn1 ZINC000049457974 1011915872 /nfs/dbraw/zinc/91/58/72/1011915872.db2.gz KFELRVDTYXBAOR-HNNXBMFYSA-N 0 3 314.772 3.770 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1c2ccccc2C[C@@H]1O ZINC000514901272 1012491265 /nfs/dbraw/zinc/49/12/65/1012491265.db2.gz JVROVAXWWZDWBD-PCCBWWKXSA-N 0 3 318.420 3.574 20 30 DHEDHN COCCOc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1 ZINC000514939190 1012514077 /nfs/dbraw/zinc/51/40/77/1012514077.db2.gz QHYABXDJNJNLST-MRXNPFEDSA-N 0 3 324.424 3.629 20 30 DHEDHN CCCCCCCCC(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001270163847 1012796856 /nfs/dbraw/zinc/79/68/56/1012796856.db2.gz KLAUAYROPWZBGE-UHFFFAOYSA-N 0 3 306.494 3.824 20 30 DHEDHN CN(C/C=C\c1ccc(F)cc1)CCOCc1ccc(C#N)cc1 ZINC000517438976 1012985497 /nfs/dbraw/zinc/98/54/97/1012985497.db2.gz OBCCGAMSJFWWNP-IHWYPQMZSA-N 0 3 324.399 3.859 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCOc3ccc(Br)cc32)C1 ZINC000349429608 1017203247 /nfs/dbraw/zinc/20/32/47/1017203247.db2.gz RFCPXWYZWMMPBW-OSMZGAPFSA-N 0 3 321.218 3.555 20 30 DHEDHN CC(C)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)cn1 ZINC000121868431 1017380571 /nfs/dbraw/zinc/38/05/71/1017380571.db2.gz KDFALCZARZFNMW-AWEZNQCLSA-N 0 3 318.380 3.582 20 30 DHEDHN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(C)cc1 ZINC000192674624 1032694218 /nfs/dbraw/zinc/69/42/18/1032694218.db2.gz LDJSZWPOWNQGFR-CRAIPNDOSA-N 0 3 321.424 3.935 20 30 DHEDHN C=CCSCCN[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000180454426 1017447560 /nfs/dbraw/zinc/44/75/60/1017447560.db2.gz KJVBFMXUZBNZQI-NSHDSACASA-N 0 3 315.866 3.927 20 30 DHEDHN COCC1(C#N)CCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC000342820286 1017470633 /nfs/dbraw/zinc/47/06/33/1017470633.db2.gz IBAJBQMTDKYMII-UHFFFAOYSA-N 0 3 321.424 3.501 20 30 DHEDHN CC(C)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CCC1 ZINC000444782069 1017661595 /nfs/dbraw/zinc/66/15/95/1017661595.db2.gz JFBVJSMIBRXJIZ-UHFFFAOYSA-N 0 3 319.836 3.661 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](CC)c1cccc(Cl)c1 ZINC000195673501 1017690215 /nfs/dbraw/zinc/69/02/15/1017690215.db2.gz CTTPASIUABBSJY-MRXNPFEDSA-N 0 3 306.837 3.581 20 30 DHEDHN C=CC[C@@H]1CCN(Cc2nc3ccc(Br)cc3o2)C1 ZINC000625704651 1017784628 /nfs/dbraw/zinc/78/46/28/1017784628.db2.gz ZKEKSNJSCGAGSL-LLVKDONJSA-N 0 3 321.218 3.988 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000171710140 1017976002 /nfs/dbraw/zinc/97/60/02/1017976002.db2.gz KOCOGPYLTOIRMF-DLBZAZTESA-N 0 3 321.509 3.541 20 30 DHEDHN C=CC(C)(C)CC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC001128716584 1017979419 /nfs/dbraw/zinc/97/94/19/1017979419.db2.gz LRHMIGYMQZXZIA-SJLPKXTDSA-N 0 3 312.457 3.732 20 30 DHEDHN CCOc1c(Cl)cc(CN[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000349821767 1018002987 /nfs/dbraw/zinc/00/29/87/1018002987.db2.gz MTZIAHJSSYSEIW-AAEUAGOBSA-N 0 3 308.809 3.529 20 30 DHEDHN COc1cc(C)c(CN[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000083473376 1018003603 /nfs/dbraw/zinc/00/36/03/1018003603.db2.gz AALWWTGIDCNMNH-CQSZACIVSA-N 0 3 310.397 3.735 20 30 DHEDHN CC[C@@H]1CN(C)c2ccccc2CN1Cc1cccc(C#N)c1 ZINC001167654270 1018078163 /nfs/dbraw/zinc/07/81/63/1018078163.db2.gz YTRWCTGRERGSCP-LJQANCHMSA-N 0 3 305.425 3.789 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000154326215 1018145578 /nfs/dbraw/zinc/14/55/78/1018145578.db2.gz JPEOZOZXZHTVHN-CVEARBPZSA-N 0 3 304.393 3.982 20 30 DHEDHN C#C[C@H](NCc1ccc(OC)c(Br)c1)C(C)(C)C ZINC000702315948 1018166191 /nfs/dbraw/zinc/16/61/91/1018166191.db2.gz WMPWFOHYTLLWMN-AWEZNQCLSA-N 0 3 310.235 3.595 20 30 DHEDHN COc1ccc(CCCN(C)Cc2cc(C#N)ccc2OC)cc1 ZINC000446771371 1018241813 /nfs/dbraw/zinc/24/18/13/1018241813.db2.gz YFSHMCHZZAKPDJ-UHFFFAOYSA-N 0 3 324.424 3.640 20 30 DHEDHN C=CCOc1cccc(NC(=O)c2cccc(CN(C)C)c2)c1 ZINC000155930179 1018380464 /nfs/dbraw/zinc/38/04/64/1018380464.db2.gz CYABHSNOCROOLQ-UHFFFAOYSA-N 0 3 310.397 3.565 20 30 DHEDHN C[C@H](NCc1ccc(-n2ccnc2)cc1)c1cccc(C#N)c1 ZINC000174430932 1018427590 /nfs/dbraw/zinc/42/75/90/1018427590.db2.gz BHGBWDFWLBVPKV-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN C=CCCCN[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000447794906 1018476763 /nfs/dbraw/zinc/47/67/63/1018476763.db2.gz KQACTEMOMBSHOT-LJQANCHMSA-N 0 3 308.425 3.600 20 30 DHEDHN CC[C@H](C)N[C@H](CNc1ncc(C#N)cc1Cl)c1ccco1 ZINC000343269761 1018528363 /nfs/dbraw/zinc/52/83/63/1018528363.db2.gz ZDKSQHHBTISDCD-SMDDNHRTSA-N 0 3 318.808 3.741 20 30 DHEDHN CN(C)/C=N/c1ccc(N[C@@H]2CCCc3cccnc32)cc1C#N ZINC001168661517 1018757322 /nfs/dbraw/zinc/75/73/22/1018757322.db2.gz PMVPBVHKIXAHMA-MNOULKQQSA-N 0 3 319.412 3.664 20 30 DHEDHN CC(C)(C)c1ccc([C@H](O)CNCc2csc(C#N)c2)cc1 ZINC000921749803 1018760861 /nfs/dbraw/zinc/76/08/61/1018760861.db2.gz QMBQSXTURBOFOT-QGZVFWFLSA-N 0 3 314.454 3.740 20 30 DHEDHN CCN(Cc1cccc(C(=O)NC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000072959408 1018793919 /nfs/dbraw/zinc/79/39/19/1018793919.db2.gz IBVFTYYWMSJDOD-OAHLLOKOSA-N 0 3 321.424 3.501 20 30 DHEDHN COc1ccc2c(c1)nccc2NCc1cc(C#N)ccc1F ZINC000765508077 1018833255 /nfs/dbraw/zinc/83/32/55/1018833255.db2.gz HAHMFNJUZKNGLA-UHFFFAOYSA-N 0 3 307.328 3.866 20 30 DHEDHN CC[C@@H](N[C@@H](CCO)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000278639354 1018973617 /nfs/dbraw/zinc/97/36/17/1018973617.db2.gz HKWTVSHXLNFOQK-UXHICEINSA-N 0 3 324.424 3.731 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000248627036 1019084281 /nfs/dbraw/zinc/08/42/81/1019084281.db2.gz OVIGNLJUPBLVOD-MSOLQXFVSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCC1(NCc2nnc(C3CC3)n2C2CC2)CCCCC1 ZINC000625935001 1019111226 /nfs/dbraw/zinc/11/12/26/1019111226.db2.gz JDIWZHXIDWIIOQ-UHFFFAOYSA-N 0 3 300.450 3.859 20 30 DHEDHN N#Cc1cc(CN[C@H]2CCN(c3ccc(Cl)cc3)C2)cs1 ZINC000921969634 1019234601 /nfs/dbraw/zinc/23/46/01/1019234601.db2.gz NDMOUAFPPZSMTG-AWEZNQCLSA-N 0 3 317.845 3.642 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cccc(CC)c2CC)CC1 ZINC000487634400 1019375539 /nfs/dbraw/zinc/37/55/39/1019375539.db2.gz AMMQULKVIHSPJS-UHFFFAOYSA-N 0 3 315.461 3.583 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2c1cccc2O ZINC000611392023 1019466355 /nfs/dbraw/zinc/46/63/55/1019466355.db2.gz IQBSXIIGYFFSJN-RBUKOAKNSA-N 0 3 304.393 3.918 20 30 DHEDHN Cc1ccccc1[C@@H](CO)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393323 1019466627 /nfs/dbraw/zinc/46/66/27/1019466627.db2.gz BXLPAILTEFEGAV-WOJBJXKFSA-N 0 3 306.409 3.567 20 30 DHEDHN CN(C)Cc1c2ccccc2oc1C(=O)Nc1cccc(C#N)c1 ZINC000114113274 1019468321 /nfs/dbraw/zinc/46/83/21/1019468321.db2.gz ZXHVTDWOBISXAQ-UHFFFAOYSA-N 0 3 319.364 3.618 20 30 DHEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCOc1ccc(C#N)cc1 ZINC000611554892 1019517786 /nfs/dbraw/zinc/51/77/86/1019517786.db2.gz ALOCJSKWYGHUEY-TZMCWYRMSA-N 0 3 312.335 3.600 20 30 DHEDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000255848981 1019614196 /nfs/dbraw/zinc/61/41/96/1019614196.db2.gz SFCPPFLPZPVNSQ-UITAMQMPSA-N 0 3 307.353 3.612 20 30 DHEDHN C[C@@H](CCCC(C)(C)O)Nc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001168704332 1019616126 /nfs/dbraw/zinc/61/61/26/1019616126.db2.gz BYNXURFISABNQH-ZXOFLVKFSA-N 0 3 316.449 3.521 20 30 DHEDHN C=CCC[C@H](NCCOc1ccc(OC)cc1)c1ccco1 ZINC000671739729 1019879053 /nfs/dbraw/zinc/87/90/53/1019879053.db2.gz HCCFLBFVDKDDSD-KRWDZBQOSA-N 0 3 301.386 3.964 20 30 DHEDHN CC[C@H](OCCNCc1csc(C#N)c1)c1ccccc1 ZINC000922216829 1019897427 /nfs/dbraw/zinc/89/74/27/1019897427.db2.gz YAUUVMOWQTUQLB-KRWDZBQOSA-N 0 3 300.427 3.877 20 30 DHEDHN C=C(C)CN1CCC(NC(=S)Nc2c(C)cccc2C)CC1 ZINC000729942946 1019926184 /nfs/dbraw/zinc/92/61/84/1019926184.db2.gz VBWJVWBMNFFDPK-UHFFFAOYSA-N 0 3 317.502 3.630 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC2CCCCCCC2)CC1 ZINC000730024904 1019936352 /nfs/dbraw/zinc/93/63/52/1019936352.db2.gz SGSHOEWBFMBGLI-UHFFFAOYSA-N 0 3 321.509 3.687 20 30 DHEDHN C=CC1CCN(Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000176925049 1019942510 /nfs/dbraw/zinc/94/25/10/1019942510.db2.gz UTMZEXIVYWVYSO-UHFFFAOYSA-N 0 3 304.459 3.858 20 30 DHEDHN COc1cccc([C@H]2CCCN2Cc2ccc(OCC#N)cc2)c1 ZINC000264155560 1032865227 /nfs/dbraw/zinc/86/52/27/1032865227.db2.gz RCQBCBQFYZJISI-HXUWFJFHSA-N 0 3 322.408 3.935 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C)(C)CC(F)F ZINC000892420488 1020068051 /nfs/dbraw/zinc/06/80/51/1020068051.db2.gz STPNQJWZGDUBJA-LLVKDONJSA-N 0 3 319.355 3.821 20 30 DHEDHN CCS[C@H]1CC[C@H](N(C)Cc2cc(C#N)ccc2OC)C1 ZINC000154153749 1020076727 /nfs/dbraw/zinc/07/67/27/1020076727.db2.gz SNBIYJSJHMAHIR-HOTGVXAUSA-N 0 3 304.459 3.673 20 30 DHEDHN COc1ccccc1[C@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000731212341 1020079532 /nfs/dbraw/zinc/07/95/32/1020079532.db2.gz HQWZCRAALXCREB-LJQANCHMSA-N 0 3 322.408 3.935 20 30 DHEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347723046 1020121101 /nfs/dbraw/zinc/12/11/01/1020121101.db2.gz FCLMLRTWJXUCCT-BBRMVZONSA-N 0 3 319.836 3.680 20 30 DHEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1csc([N+](=O)[O-])c1 ZINC000922599073 1020151977 /nfs/dbraw/zinc/15/19/77/1020151977.db2.gz DMCDAUDVVDNXRC-UHFFFAOYSA-N 0 3 315.398 3.639 20 30 DHEDHN CC[C@H](C)CN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000732206166 1020209101 /nfs/dbraw/zinc/20/91/01/1020209101.db2.gz RMSXKMWMZORPQT-DOTOQJQBSA-N 0 3 315.461 3.608 20 30 DHEDHN N#CC(C(=O)c1ccc2c(c1)CCC2)c1nc(C2CC2)cs1 ZINC000647371906 1020218474 /nfs/dbraw/zinc/21/84/74/1020218474.db2.gz AEVPLHZQMJYSDB-OAHLLOKOSA-N 0 3 308.406 3.999 20 30 DHEDHN CCCCCCC[C@@H](C)CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000732449140 1020239890 /nfs/dbraw/zinc/23/98/90/1020239890.db2.gz JAYPHEQGHRGGMD-AEFFLSMTSA-N 0 3 323.525 3.861 20 30 DHEDHN CCOc1ccc(CNCc2ccc(C)c(C#N)c2)cc1OCC ZINC000922759650 1020252726 /nfs/dbraw/zinc/25/27/26/1020252726.db2.gz RMUVLWYYWBXVTF-UHFFFAOYSA-N 0 3 324.424 3.954 20 30 DHEDHN C=CCN(CC1CCCCC1)Cn1nccc1-c1ccncc1 ZINC000732670826 1020266979 /nfs/dbraw/zinc/26/69/79/1020266979.db2.gz MGIYBYGPIJNOAW-UHFFFAOYSA-N 0 3 310.445 3.971 20 30 DHEDHN CC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000131566924 1020289979 /nfs/dbraw/zinc/28/99/79/1020289979.db2.gz PEODGIJLMAHURF-XEZPLFJOSA-N 0 3 300.402 3.894 20 30 DHEDHN C=CC[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccncc1 ZINC000766020130 1020461818 /nfs/dbraw/zinc/46/18/18/1020461818.db2.gz OXJOTPLSBKIMPZ-KXBFYZLASA-N 0 3 319.412 3.630 20 30 DHEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCN(C2CCCC2)CC1 ZINC000301062830 1020500337 /nfs/dbraw/zinc/50/03/37/1020500337.db2.gz AJBWDVDLJHHUQP-UHFFFAOYSA-N 0 3 323.362 3.642 20 30 DHEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)CC1 ZINC000892490918 1020528392 /nfs/dbraw/zinc/52/83/92/1020528392.db2.gz ZSHZNWIZSHGFDV-CYBMUJFWSA-N 0 3 316.788 3.734 20 30 DHEDHN N#CCCCN[C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000612416962 1020552277 /nfs/dbraw/zinc/55/22/77/1020552277.db2.gz QDENCYSSLWAPQP-CABCVRRESA-N 0 3 323.234 3.563 20 30 DHEDHN N#CCCCN[C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000612416963 1020553395 /nfs/dbraw/zinc/55/33/95/1020553395.db2.gz QDENCYSSLWAPQP-GJZGRUSLSA-N 0 3 323.234 3.563 20 30 DHEDHN C=CCN1CC[C@H](N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1=O ZINC000337177565 1032910971 /nfs/dbraw/zinc/91/09/71/1032910971.db2.gz JTLZPIZKXQOGMP-DLBZAZTESA-N 0 3 318.436 3.680 20 30 DHEDHN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(OCC#N)cc1 ZINC000780384417 1020570248 /nfs/dbraw/zinc/57/02/48/1020570248.db2.gz HZBWYGAPLPDTNF-JSGCOSHPSA-N 0 3 312.335 3.752 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000337213874 1032919128 /nfs/dbraw/zinc/91/91/28/1032919128.db2.gz DOKGTOFHHFSFBH-CABCVRRESA-N 0 3 318.486 3.648 20 30 DHEDHN CC1(C)CO[C@H](CCC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000892553016 1020985938 /nfs/dbraw/zinc/98/59/38/1020985938.db2.gz HGAVHWPGXOGCRY-CHWSQXEVSA-N 0 3 312.369 3.599 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccccc1C ZINC000741780936 1021051643 /nfs/dbraw/zinc/05/16/43/1021051643.db2.gz GSDVHBRBFOXCRQ-HXUWFJFHSA-N 0 3 311.425 3.725 20 30 DHEDHN CCCOc1cccc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000742367073 1021106776 /nfs/dbraw/zinc/10/67/76/1021106776.db2.gz IVRVJEUUMWKAJG-UHFFFAOYSA-N 0 3 310.397 3.645 20 30 DHEDHN CC(C)[C@@H](C#N)c1ccc(-n2nc(CN)c3ccccc32)cc1 ZINC001167698354 1021121030 /nfs/dbraw/zinc/12/10/30/1021121030.db2.gz UCIANBNPJQGIFT-QGZVFWFLSA-N 0 3 304.397 3.747 20 30 DHEDHN C=C(C)COCCN[C@H](C)c1ccccc1OC(F)(F)F ZINC000537958185 1032955654 /nfs/dbraw/zinc/95/56/54/1032955654.db2.gz KLFZBOWYABEMGT-GFCCVEGCSA-N 0 3 303.324 3.829 20 30 DHEDHN C[C@@H](NCc1cccc(Cn2cccn2)c1)c1cccc(C#N)c1 ZINC000181548073 1021243168 /nfs/dbraw/zinc/24/31/68/1021243168.db2.gz AJYWWHWPWFQBAT-MRXNPFEDSA-N 0 3 316.408 3.654 20 30 DHEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1cccc(C#N)c1 ZINC000743495370 1021310646 /nfs/dbraw/zinc/31/06/46/1021310646.db2.gz DOXUGVORRIDACU-INIZCTEOSA-N 0 3 318.424 3.759 20 30 DHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cccc(F)c1F ZINC000181964287 1021416310 /nfs/dbraw/zinc/41/63/10/1021416310.db2.gz BDELNTXBGBWSOZ-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN C=CCN(C(=O)NC[C@H](c1ccsc1)N(CC)CC)C(C)C ZINC000918065683 1021437673 /nfs/dbraw/zinc/43/76/73/1021437673.db2.gz SKVYPHHIMSVYGB-MRXNPFEDSA-N 0 3 323.506 3.737 20 30 DHEDHN C#CC[N@H+](Cc1ccc(F)cc1)Cc1c([O-])ccc2ccncc21 ZINC000744146890 1021448276 /nfs/dbraw/zinc/44/82/76/1021448276.db2.gz XVRGBGQGIXFDPF-UHFFFAOYSA-N 0 3 320.367 3.715 20 30 DHEDHN C#CC[N@@H+](Cc1ccc(F)cc1)Cc1c([O-])ccc2ccncc21 ZINC000744146890 1021448287 /nfs/dbraw/zinc/44/82/87/1021448287.db2.gz XVRGBGQGIXFDPF-UHFFFAOYSA-N 0 3 320.367 3.715 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCc3ccc(O)cc32)cc1 ZINC000850386131 1021503414 /nfs/dbraw/zinc/50/34/14/1021503414.db2.gz GMTMGKHOXPOZAK-HXUWFJFHSA-N 0 3 321.424 3.519 20 30 DHEDHN N#CCOc1ccc(CN2CCC(OC3CCCC3)CC2)cc1 ZINC000264574334 1032984516 /nfs/dbraw/zinc/98/45/16/1032984516.db2.gz SZNBPHKYWOOACS-UHFFFAOYSA-N 0 3 314.429 3.513 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618801672 1021521042 /nfs/dbraw/zinc/52/10/42/1021521042.db2.gz BNQIZQVEUOKGRG-RBZFPXEDSA-N 0 3 319.408 3.855 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCc1cccs1 ZINC000122278246 1021535735 /nfs/dbraw/zinc/53/57/35/1021535735.db2.gz AHGLLZHKZBSWGA-CQSZACIVSA-N 0 3 323.421 3.834 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2cc(COC)cs2)cc1 ZINC000850533153 1021588740 /nfs/dbraw/zinc/58/87/40/1021588740.db2.gz RIFNUJKBFOTTAL-AWEZNQCLSA-N 0 3 315.438 3.757 20 30 DHEDHN CCCC[C@](C)(F)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000850739210 1021633795 /nfs/dbraw/zinc/63/37/95/1021633795.db2.gz UGYOEGTZARMFBO-SJCJKPOMSA-N 0 3 301.365 3.668 20 30 DHEDHN CCc1cccc(OCCNC2(c3cccc(C#N)c3)CC2)c1 ZINC000556511872 1021751437 /nfs/dbraw/zinc/75/14/37/1021751437.db2.gz JLEGSEDGVJQUHO-UHFFFAOYSA-N 0 3 306.409 3.778 20 30 DHEDHN N#Cc1ccc(OCCN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000619501926 1021777959 /nfs/dbraw/zinc/77/79/59/1021777959.db2.gz RTWYETAPENDMCZ-UHFFFAOYSA-N 0 3 322.383 3.865 20 30 DHEDHN N#Cc1ccc(CNCc2ccc(-n3cccn3)cc2)cc1Cl ZINC000619748255 1021886915 /nfs/dbraw/zinc/88/69/15/1021886915.db2.gz DVHRDVYMYOJEMN-UHFFFAOYSA-N 0 3 322.799 3.687 20 30 DHEDHN COc1cc(CNCc2ccc(C#N)c(Cl)c2)ccc1C ZINC000619748194 1021887238 /nfs/dbraw/zinc/88/72/38/1021887238.db2.gz ACQWDUWUNANFLU-UHFFFAOYSA-N 0 3 300.789 3.819 20 30 DHEDHN N#Cc1cccc(CN2CCC(OCCc3ccccc3)CC2)c1 ZINC000195211520 1022002404 /nfs/dbraw/zinc/00/24/04/1022002404.db2.gz SNBWPBUHWMBGHN-UHFFFAOYSA-N 0 3 320.436 3.782 20 30 DHEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000852782812 1022177160 /nfs/dbraw/zinc/17/71/60/1022177160.db2.gz UDOHPAMMMIBIJV-CYBMUJFWSA-N 0 3 310.372 3.873 20 30 DHEDHN N#CCCOCCN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000339159640 1022246970 /nfs/dbraw/zinc/24/69/70/1022246970.db2.gz ZFVQMWVAWODDIY-UHFFFAOYSA-N 0 3 310.800 3.531 20 30 DHEDHN CC(C)OCc1ccccc1CNCc1ccc(C#N)s1 ZINC000538369084 1033042876 /nfs/dbraw/zinc/04/28/76/1033042876.db2.gz MECACUMIVQYIDV-UHFFFAOYSA-N 0 3 300.427 3.835 20 30 DHEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000538367456 1033043191 /nfs/dbraw/zinc/04/31/91/1033043191.db2.gz JDRPIQMLFZODPR-OAHLLOKOSA-N 0 3 323.506 3.566 20 30 DHEDHN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H](CC#N)C2)c1 ZINC000853526533 1022287902 /nfs/dbraw/zinc/28/79/02/1022287902.db2.gz SMOXBBNPIIRJIN-ZDUSSCGKSA-N 0 3 302.418 3.521 20 30 DHEDHN C#Cc1cccnc1NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000853627873 1022303244 /nfs/dbraw/zinc/30/32/44/1022303244.db2.gz IJMFAJGTVGOLDS-LJQANCHMSA-N 0 3 323.440 3.565 20 30 DHEDHN CN1CCc2ccc(Nc3ccc(C4(C#N)CC4)cc3)cc2C1 ZINC001212263233 1022347161 /nfs/dbraw/zinc/34/71/61/1022347161.db2.gz WRPLQXQBUIHRPH-UHFFFAOYSA-N 0 3 303.409 3.973 20 30 DHEDHN C=CCOc1ccccc1[C@@H](C)N[C@H](C)CC(=O)N(CC)CC ZINC001169448683 1022408488 /nfs/dbraw/zinc/40/84/88/1022408488.db2.gz KYQCDPRTRPFLSP-HZPDHXFCSA-N 0 3 318.461 3.549 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001169540650 1022444580 /nfs/dbraw/zinc/44/45/80/1022444580.db2.gz NPRBDHBBXMFLRT-YVWKXTFCSA-N 0 3 314.473 3.616 20 30 DHEDHN C=CCN(CCc1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000620998431 1022503262 /nfs/dbraw/zinc/50/32/62/1022503262.db2.gz QUKDETNHDCTUAG-GOSISDBHSA-N 0 3 309.409 3.557 20 30 DHEDHN COc1ccc(CN[C@H](C)c2ccc(C(C)(C)O)cc2)cc1C#N ZINC000925584643 1022611874 /nfs/dbraw/zinc/61/18/74/1022611874.db2.gz QIFCNNQXEBFWFT-CQSZACIVSA-N 0 3 324.424 3.645 20 30 DHEDHN CN(CCC(C)(C)C#N)Cc1cccc(OC(F)(F)F)c1 ZINC000538488520 1033081411 /nfs/dbraw/zinc/08/14/11/1033081411.db2.gz JENVNLSVSLFONQ-UHFFFAOYSA-N 0 3 300.324 3.957 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)N1CCC(=O)[C@@H](C)C12CCCC2 ZINC001172317793 1033084694 /nfs/dbraw/zinc/08/46/94/1033084694.db2.gz UQDOQNHUMYAPQG-HZPDHXFCSA-N 0 3 310.441 3.713 20 30 DHEDHN C#CCCOc1ccc(CN(C)Cc2cccc(OC)c2)cc1 ZINC000768163536 1022907997 /nfs/dbraw/zinc/90/79/97/1022907997.db2.gz QLZKZTYAWOGESW-UHFFFAOYSA-N 0 3 309.409 3.729 20 30 DHEDHN COc1cccc(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000768164126 1022909721 /nfs/dbraw/zinc/90/97/21/1022909721.db2.gz XDKAAZGXAHCTDY-HNNXBMFYSA-N 0 3 310.397 3.618 20 30 DHEDHN C=CC[C@@H](N[C@@H]1CCN(C(C)=O)c2ccccc21)c1ccncc1 ZINC000857076763 1022944750 /nfs/dbraw/zinc/94/47/50/1022944750.db2.gz XLUSPQBFHXADOY-RTBURBONSA-N 0 3 321.424 3.786 20 30 DHEDHN C=CC[C@H](N[C@@H]1CCN(C(C)=O)c2ccccc21)c1ccncc1 ZINC000857076762 1022945263 /nfs/dbraw/zinc/94/52/63/1022945263.db2.gz XLUSPQBFHXADOY-RBUKOAKNSA-N 0 3 321.424 3.786 20 30 DHEDHN C#CCOc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1 ZINC000768527968 1022980349 /nfs/dbraw/zinc/98/03/49/1022980349.db2.gz FNVZRTNIMAFLPM-UHFFFAOYSA-N 0 3 321.420 3.742 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)NCc1c(F)ccc(F)c1F ZINC001172290505 1033095085 /nfs/dbraw/zinc/09/50/85/1033095085.db2.gz QLERQGHGUQWENE-NSHDSACASA-N 0 3 304.315 3.696 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)cc1 ZINC000123671035 1023059909 /nfs/dbraw/zinc/05/99/09/1023059909.db2.gz NWHJYVVMDVULFR-SUMWQHHRSA-N 0 3 324.380 3.683 20 30 DHEDHN C#CCOc1ccccc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000769106391 1023084939 /nfs/dbraw/zinc/08/49/39/1023084939.db2.gz LKMGDGDDHLQAPS-LJQANCHMSA-N 0 3 307.393 3.741 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000876605722 1033103696 /nfs/dbraw/zinc/10/36/96/1033103696.db2.gz WRZOVMASBYTSBC-HZPDHXFCSA-N 0 3 324.827 3.643 20 30 DHEDHN C[C@H](Cc1ccc(C#N)cc1)N[C@@H](c1ncccc1F)C1CC1 ZINC001172298837 1033104792 /nfs/dbraw/zinc/10/47/92/1033104792.db2.gz BJNYNHIFXDMZEW-FZKQIMNGSA-N 0 3 309.388 3.764 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCCc3sccc3C2)cc1 ZINC000769380809 1023135496 /nfs/dbraw/zinc/13/54/96/1023135496.db2.gz JVHSCLWFKLPEGB-AWEZNQCLSA-N 0 3 312.438 3.987 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000876641409 1033111498 /nfs/dbraw/zinc/11/14/98/1033111498.db2.gz NWLIBNNKEZBHQV-ZDUSSCGKSA-N 0 3 312.866 3.986 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CCCC)c1ccc(OC)cc1 ZINC000876646307 1033114843 /nfs/dbraw/zinc/11/48/43/1033114843.db2.gz UHPWNPFSNZYHHA-JKSUJKDBSA-N 0 3 324.852 3.513 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1c1ccc(C)cc1 ZINC000876663120 1033118439 /nfs/dbraw/zinc/11/84/39/1033118439.db2.gz QKLVYKUZTNJOCM-HZPDHXFCSA-N 0 3 306.837 3.519 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000592327843 1023422989 /nfs/dbraw/zinc/42/29/89/1023422989.db2.gz DADIUTPOTATHIM-UHFFFAOYSA-N 0 3 315.461 3.972 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/C2CCC(O)(CC)CC2)c([O-])c1 ZINC000771518663 1023448477 /nfs/dbraw/zinc/44/84/77/1023448477.db2.gz AJLYAJXFQFFACL-XSFVSMFZSA-N 0 3 318.461 3.741 20 30 DHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C2CC2)n1C1CC1 ZINC000661115159 1023484046 /nfs/dbraw/zinc/48/40/46/1023484046.db2.gz PYYZHFDXWTWMLW-BBRMVZONSA-N 0 3 300.450 3.715 20 30 DHEDHN CCCCCCC[C@@H](CC)N1CC(N2CCOC(C)(C)C2)C1 ZINC001172356579 1033136951 /nfs/dbraw/zinc/13/69/51/1033136951.db2.gz XIPNTANCVJZFDG-QGZVFWFLSA-N 0 3 310.526 3.921 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000785617638 1023599627 /nfs/dbraw/zinc/59/96/27/1023599627.db2.gz QZTXMWDEKAOZHA-VLIAUNLRSA-N 0 3 317.392 3.626 20 30 DHEDHN CCCCCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786550813 1023710204 /nfs/dbraw/zinc/71/02/04/1023710204.db2.gz YVPISNDJXFQALH-QGZVFWFLSA-N 0 3 314.429 3.681 20 30 DHEDHN C=CCN(CC(=O)N[C@H](c1ccccc1)C1CC1)C(C)(C)C ZINC000661760452 1023735316 /nfs/dbraw/zinc/73/53/16/1023735316.db2.gz UBCORXZDELAJJG-GOSISDBHSA-N 0 3 300.446 3.540 20 30 DHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCO2 ZINC000787030030 1023749914 /nfs/dbraw/zinc/74/99/14/1023749914.db2.gz HPYZBHQJSHDSMX-YJYMSZOUSA-N 0 3 304.393 3.831 20 30 DHEDHN CCCN(CCC)c1ccc(C=NOC[C@@H]2CCOC2)cc1 ZINC000788035358 1023842436 /nfs/dbraw/zinc/84/24/36/1023842436.db2.gz ZLBITGFGWYHYNF-QGZVFWFLSA-N 0 3 304.434 3.700 20 30 DHEDHN C#CCC1(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CCCCC1 ZINC000788234194 1023868342 /nfs/dbraw/zinc/86/83/42/1023868342.db2.gz FNGICEFAGTZMJB-OALUTQOASA-N 0 3 324.468 3.522 20 30 DHEDHN C#CCC1(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CCCCC1 ZINC000788234195 1023868840 /nfs/dbraw/zinc/86/88/40/1023868840.db2.gz FNGICEFAGTZMJB-RBUKOAKNSA-N 0 3 324.468 3.522 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000662078785 1023888109 /nfs/dbraw/zinc/88/81/09/1023888109.db2.gz GQPKMPARNRKOKE-CWRNSKLLSA-N 0 3 316.470 3.919 20 30 DHEDHN C=CC[C@H](CC)N[C@H](C)c1nc(Br)ccc1F ZINC000788813832 1023945394 /nfs/dbraw/zinc/94/53/94/1023945394.db2.gz JGRRSGCGEBLEJR-ZJUUUORDSA-N 0 3 301.203 3.989 20 30 DHEDHN Cc1oc(NC(=O)CN(C(C)C)C2CC(C)(C)C2)c(C#N)c1C ZINC000452106289 1023976707 /nfs/dbraw/zinc/97/67/07/1023976707.db2.gz PSEUWRDSHAQDGH-UHFFFAOYSA-N 0 3 317.433 3.606 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000876899109 1033179304 /nfs/dbraw/zinc/17/93/04/1033179304.db2.gz GNJBCGDLYHTGOK-CVEARBPZSA-N 0 3 306.837 3.504 20 30 DHEDHN CC(C)(CCC#N)CNCc1nn(-c2ccccc2)c2c1CCC2 ZINC000266177096 1024036000 /nfs/dbraw/zinc/03/60/00/1024036000.db2.gz DZGYHLYYBSNHQE-UHFFFAOYSA-N 0 3 322.456 3.781 20 30 DHEDHN CN(C)[C@H](C/N=C\c1ccccc1O)c1ccc(Cl)cc1 ZINC000746817207 1024079347 /nfs/dbraw/zinc/07/93/47/1024079347.db2.gz YGIAXPWSXLFGLY-VXIUPONVSA-N 0 3 302.805 3.767 20 30 DHEDHN C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccc(C#N)cc1 ZINC000531488944 1024174339 /nfs/dbraw/zinc/17/43/39/1024174339.db2.gz UYRPQRMAGSHITQ-CQSZACIVSA-N 0 3 302.381 3.799 20 30 DHEDHN C[Si](C)(C)C#CNCc1ccc(-c2ccnc(F)c2)c(F)c1 ZINC001168140642 1024234580 /nfs/dbraw/zinc/23/45/80/1024234580.db2.gz CORFREXGPQUSIV-UHFFFAOYSA-N 0 3 316.427 3.955 20 30 DHEDHN CCCCCCCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000876988267 1033200098 /nfs/dbraw/zinc/20/00/98/1033200098.db2.gz XGRMEMRUGOZWSY-AWEZNQCLSA-N 0 3 311.857 3.520 20 30 DHEDHN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(CC)cc2)o1 ZINC000128732332 1024392365 /nfs/dbraw/zinc/39/23/65/1024392365.db2.gz RKJSNDAHHWVEJR-INIZCTEOSA-N 0 3 324.380 3.674 20 30 DHEDHN Cc1ccc(Br)cc1CNCc1cccc(C#N)c1 ZINC000190298758 1024439347 /nfs/dbraw/zinc/43/93/47/1024439347.db2.gz ATFBWLJKFKRMMI-UHFFFAOYSA-N 0 3 315.214 3.919 20 30 DHEDHN C=C(C)CCN[C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000453313142 1024458488 /nfs/dbraw/zinc/45/84/88/1024458488.db2.gz HNKSLTRXDAZNKO-GFCCVEGCSA-N 0 3 304.825 3.846 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(Br)ccc1F ZINC000453322887 1024463911 /nfs/dbraw/zinc/46/39/11/1024463911.db2.gz AFALSDWHBLTPOP-FZZIBODNSA-N 0 3 314.198 3.582 20 30 DHEDHN C=CCN(CCc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000271373758 1024495952 /nfs/dbraw/zinc/49/59/52/1024495952.db2.gz HIFYGOXHZMYPCO-UHFFFAOYSA-N 0 3 303.793 3.583 20 30 DHEDHN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(C#N)cc1F ZINC000271546582 1024537260 /nfs/dbraw/zinc/53/72/60/1024537260.db2.gz UAQAFEYBLUSVRV-KZULUSFZSA-N 0 3 316.351 3.702 20 30 DHEDHN C#CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000271585257 1024546085 /nfs/dbraw/zinc/54/60/85/1024546085.db2.gz XLSXWAGPIVTAHI-MAUKXSAKSA-N 0 3 307.393 3.873 20 30 DHEDHN C=CCCCN(C)CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000532161284 1024568773 /nfs/dbraw/zinc/56/87/73/1024568773.db2.gz WWUMRVRXGAAAAR-OAHLLOKOSA-N 0 3 306.425 3.633 20 30 DHEDHN C=CCC1(C(=O)OCC2CCN(Cc3ccco3)CC2)CCC1 ZINC000791850451 1024581816 /nfs/dbraw/zinc/58/18/16/1024581816.db2.gz YWPGJYLQCUDAPP-UHFFFAOYSA-N 0 3 317.429 3.781 20 30 DHEDHN CCCCCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000759956618 1024607110 /nfs/dbraw/zinc/60/71/10/1024607110.db2.gz KRXHTAXZROABFV-PKOBYXMFSA-N 0 3 302.462 3.909 20 30 DHEDHN CO[C@@H](C(=O)C(C#N)c1nccc2ccccc21)c1ccccc1 ZINC000792094536 1024629606 /nfs/dbraw/zinc/62/96/06/1024629606.db2.gz FNQHIVZUERHESP-FXAWDEMLSA-N 0 3 316.360 3.799 20 30 DHEDHN CO[C@@H](C(=O)C(C#N)c1nccc2ccccc21)c1ccccc1 ZINC000792094539 1024629782 /nfs/dbraw/zinc/62/97/82/1024629782.db2.gz FNQHIVZUERHESP-YLJYHZDGSA-N 0 3 316.360 3.799 20 30 DHEDHN C=CCC[C@H](N[C@H](C)CNC(=O)OC(C)(C)C)c1ccco1 ZINC000796942301 1024671754 /nfs/dbraw/zinc/67/17/54/1024671754.db2.gz FAFZGZLOTXFTAF-KGLIPLIRSA-N 0 3 308.422 3.790 20 30 DHEDHN N#C[C@H]1CC[C@H](Nc2nc3cccc(Br)c3[nH]2)CC1 ZINC001167845704 1024705048 /nfs/dbraw/zinc/70/50/48/1024705048.db2.gz WOBZRKGEXUZFKT-MGCOHNPYSA-N 0 3 319.206 3.820 20 30 DHEDHN CC[C@@H]1C[C@H](N2CCC(C#N)(c3ccccc3F)CC2)CCO1 ZINC001170246372 1024709767 /nfs/dbraw/zinc/70/97/67/1024709767.db2.gz UECSCORPOMHWOD-HZPDHXFCSA-N 0 3 316.420 3.640 20 30 DHEDHN CC(C)[C@H](CNCc1cc(C#N)cnc1Cl)c1cccnc1 ZINC000877082496 1033234146 /nfs/dbraw/zinc/23/41/46/1033234146.db2.gz WECJKNMLTJJRKF-INIZCTEOSA-N 0 3 314.820 3.531 20 30 DHEDHN CC(C)O[C@@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C1(C)C ZINC001170399970 1024767831 /nfs/dbraw/zinc/76/78/31/1024767831.db2.gz OVGGFXZEFHHKAR-IAGOWNOFSA-N 0 3 305.849 3.873 20 30 DHEDHN COc1ccc([C@@H]2CSCCN2[C@@H](C)CCCC#N)cc1 ZINC001172506940 1033235218 /nfs/dbraw/zinc/23/52/18/1033235218.db2.gz MGOQRHGCUGWBGD-YOEHRIQHSA-N 0 3 304.459 3.867 20 30 DHEDHN CCCCCCCCN1CCC[C@]12CCN(CC(F)F)C2=O ZINC001275119414 1024925621 /nfs/dbraw/zinc/92/56/21/1024925621.db2.gz REHXWEBGTWBUPM-QGZVFWFLSA-N 0 3 316.436 3.679 20 30 DHEDHN C#CCn1ccc(CN(CC)C[C@H](c2ccccc2)C(C)C)n1 ZINC000793183050 1024929014 /nfs/dbraw/zinc/92/90/14/1024929014.db2.gz BBSQQZKMFXCTKC-FQEVSTJZSA-N 0 3 309.457 3.778 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000793231833 1024945447 /nfs/dbraw/zinc/94/54/47/1024945447.db2.gz RBYAPYRGAVWYPP-XUJVJEKNSA-N 0 3 312.335 3.750 20 30 DHEDHN C[C@@H]1CC[C@@H](NCc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000119222237 1024955021 /nfs/dbraw/zinc/95/50/21/1024955021.db2.gz YNNPBOKGUUXWOT-XJKCOSOUSA-N 0 3 310.401 3.523 20 30 DHEDHN CCOC1(C(=O)C(C#N)c2nccc3ccccc32)CCCC1 ZINC000793280503 1024982192 /nfs/dbraw/zinc/98/21/92/1024982192.db2.gz FHPFKSNEXFFLJL-MRXNPFEDSA-N 0 3 308.381 3.760 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H](CCCO)c1ccccc1)CC2 ZINC000353265511 1025008122 /nfs/dbraw/zinc/00/81/22/1025008122.db2.gz YOMATVLAAOUEEL-UXHICEINSA-N 0 3 306.409 3.649 20 30 DHEDHN N#Cc1ccc(CNCCc2nc3ccccc3s2)c(F)c1 ZINC000348891538 1025012093 /nfs/dbraw/zinc/01/20/93/1025012093.db2.gz HEMNMWLYWPAYTP-UHFFFAOYSA-N 0 3 311.385 3.639 20 30 DHEDHN C#CCOc1ccccc1CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793611823 1025128427 /nfs/dbraw/zinc/12/84/27/1025128427.db2.gz HKUTYBBNHJPKGK-CVEARBPZSA-N 0 3 324.251 3.714 20 30 DHEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1cccc(C#N)c1 ZINC001168193578 1025174218 /nfs/dbraw/zinc/17/42/18/1025174218.db2.gz RQYWSOOQNDDDNN-ZWKOTPCHSA-N 0 3 319.452 3.653 20 30 DHEDHN C[C@@H]1CN(c2ccccc2F)CCN1CCCC(C)(C)C#N ZINC000191622959 1025245128 /nfs/dbraw/zinc/24/51/28/1025245128.db2.gz CPDBYNSRYPULCA-OAHLLOKOSA-N 0 3 303.425 3.666 20 30 DHEDHN C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC001168202048 1025266956 /nfs/dbraw/zinc/26/69/56/1025266956.db2.gz QEKKCBKKBSIYTB-KGLIPLIRSA-N 0 3 311.347 3.915 20 30 DHEDHN C[C@H](NCc1nc(C#N)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000352843338 1025282826 /nfs/dbraw/zinc/28/28/26/1025282826.db2.gz YZSRVZBXQYOAAR-GVMDUPDNSA-N 0 3 301.459 3.709 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)c1cc[nH]c(=O)c1 ZINC000354127269 1025365587 /nfs/dbraw/zinc/36/55/87/1025365587.db2.gz NEESADWLQSXGTN-JTQLQIEISA-N 0 3 321.302 3.528 20 30 DHEDHN N#CC(C(=O)C1CCC(F)(F)CC1)c1nc2ccccc2[nH]1 ZINC000136104298 1025384019 /nfs/dbraw/zinc/38/40/19/1025384019.db2.gz MEPMSLDFBQQBHP-NSHDSACASA-N 0 3 303.312 3.565 20 30 DHEDHN C=CCCCCCN1CCCC[C@@]12CC(=O)N([C@H](C)CC)C2 ZINC001275323445 1025422726 /nfs/dbraw/zinc/42/27/26/1025422726.db2.gz BJAAFKMMZUUSFX-MJGOQNOKSA-N 0 3 306.494 3.988 20 30 DHEDHN C=CCCCCCN1CCCC[C@]12CC(=O)N(CCCC)C2 ZINC001275324886 1025431839 /nfs/dbraw/zinc/43/18/39/1025431839.db2.gz JJDVWRXAYWDATM-LJQANCHMSA-N 0 3 306.494 3.990 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000237602748 1025460889 /nfs/dbraw/zinc/46/08/89/1025460889.db2.gz HYGKADIHCCEDSC-KGLIPLIRSA-N 0 3 324.380 3.557 20 30 DHEDHN CC[C@@H](C)N[C@H](CNc1nc(Cl)c(C#N)s1)c1ccco1 ZINC000804783604 1025481874 /nfs/dbraw/zinc/48/18/74/1025481874.db2.gz SYTQLWYTHSMXJR-NXEZZACHSA-N 0 3 324.837 3.802 20 30 DHEDHN C=C1CCN(CC2(COc3cccc(COC)c3)CC2)CC1 ZINC000354786349 1025505385 /nfs/dbraw/zinc/50/53/85/1025505385.db2.gz JSVMUIZYNNXJNL-UHFFFAOYSA-N 0 3 301.430 3.644 20 30 DHEDHN C=CCCC1(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000355038420 1025588996 /nfs/dbraw/zinc/58/89/96/1025588996.db2.gz LEIYKDUBOZQLDA-AEFFLSMTSA-N 0 3 312.457 3.685 20 30 DHEDHN C=CCCC1(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000355038423 1025589634 /nfs/dbraw/zinc/58/96/34/1025589634.db2.gz LEIYKDUBOZQLDA-FUHWJXTLSA-N 0 3 312.457 3.685 20 30 DHEDHN CC(C)(C)CCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000805854553 1025689776 /nfs/dbraw/zinc/68/97/76/1025689776.db2.gz XBRVBHRIEMIAOD-MRXNPFEDSA-N 0 3 314.429 3.618 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1coc2ccccc21 ZINC000355637530 1025795400 /nfs/dbraw/zinc/79/54/00/1025795400.db2.gz TZQFIOGMMPVYMC-CYBMUJFWSA-N 0 3 315.332 3.810 20 30 DHEDHN CN(CCCSCC#N)Cc1ccccc1OC(F)(F)F ZINC000074980940 1025829047 /nfs/dbraw/zinc/82/90/47/1025829047.db2.gz VKNDTQUWHZHJPB-UHFFFAOYSA-N 0 3 318.364 3.664 20 30 DHEDHN C=CCCCCCCNCc1c(Br)c(C)nn1C ZINC000310952696 1025914074 /nfs/dbraw/zinc/91/40/74/1025914074.db2.gz RNGMSAHHFPPMRI-UHFFFAOYSA-N 0 3 314.271 3.717 20 30 DHEDHN N#Cc1ccc(CN2CCC3(C2)CCOCC3)c(C(F)(F)F)c1 ZINC000356141114 1025964946 /nfs/dbraw/zinc/96/49/46/1025964946.db2.gz VDXHJTODTAMWKE-UHFFFAOYSA-N 0 3 324.346 3.580 20 30 DHEDHN Cc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000092034268 1026086238 /nfs/dbraw/zinc/08/62/38/1026086238.db2.gz NEZSZRQNBCBQPH-UHFFFAOYSA-N 0 3 312.438 3.972 20 30 DHEDHN C#CCC1(NCc2cc3ccccc3nc2Cl)CCOCC1 ZINC000887125634 1026101508 /nfs/dbraw/zinc/10/15/08/1026101508.db2.gz DGRSBYGUMRRJHJ-UHFFFAOYSA-N 0 3 314.816 3.550 20 30 DHEDHN C=CCN(CCOc1cccc(F)c1)Cc1ccc(OC)cc1 ZINC000614352868 1026213191 /nfs/dbraw/zinc/21/31/91/1026213191.db2.gz PAFCXORAGNGDSW-UHFFFAOYSA-N 0 3 315.388 3.901 20 30 DHEDHN Cc1cc(C#N)ccc1CN(C)C[C@H]1OCCc2ccccc21 ZINC000614397347 1026292725 /nfs/dbraw/zinc/29/27/25/1026292725.db2.gz NCNRYBPJJQNDEV-HXUWFJFHSA-N 0 3 306.409 3.613 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808718956 1026366972 /nfs/dbraw/zinc/36/69/72/1026366972.db2.gz QXKKBAOYKIREIC-IGCXYCKISA-N 0 3 309.837 3.986 20 30 DHEDHN CC(=NNCCCOc1ccccc1)c1ccc(N(C)C)cc1 ZINC000729148162 1026381677 /nfs/dbraw/zinc/38/16/77/1026381677.db2.gz UKALOURMMUYVIN-UHFFFAOYSA-N 0 3 311.429 3.535 20 30 DHEDHN C#C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000809685293 1026593905 /nfs/dbraw/zinc/59/39/05/1026593905.db2.gz LWOBGHAAJLQYEC-OAQYLSRUSA-N 0 3 318.420 3.885 20 30 DHEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809765104 1026619975 /nfs/dbraw/zinc/61/99/75/1026619975.db2.gz LBLWEHSEXOVBLA-BEFAXECRSA-N 0 3 309.413 3.956 20 30 DHEDHN C#C[C@H](NCc1cn(C)nc1-c1cc2ccccc2o1)C(C)(C)C ZINC000809781011 1026624636 /nfs/dbraw/zinc/62/46/36/1026624636.db2.gz FBEMOJLIWLOWPB-SFHVURJKSA-N 0 3 321.424 3.971 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccccc2F)s1 ZINC000419839235 1026766743 /nfs/dbraw/zinc/76/67/43/1026766743.db2.gz QARZDSSEPNANOX-JTQLQIEISA-N 0 3 317.389 3.826 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(F)cc2)s1 ZINC000419831721 1026766761 /nfs/dbraw/zinc/76/67/61/1026766761.db2.gz IDZXOLSRXGUVCG-GFCCVEGCSA-N 0 3 317.389 3.826 20 30 DHEDHN Cc1ccccc1NC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419842702 1026767182 /nfs/dbraw/zinc/76/71/82/1026767182.db2.gz WEOPTAAANBFVRR-GFCCVEGCSA-N 0 3 313.426 3.995 20 30 DHEDHN N#Cc1ccc(OCCN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420937801 1026882635 /nfs/dbraw/zinc/88/26/35/1026882635.db2.gz ACUAUBCHRAJFOI-CQSZACIVSA-N 0 3 312.335 3.601 20 30 DHEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NNC[C@@H]1CCSC1 ZINC000811658238 1027045017 /nfs/dbraw/zinc/04/50/17/1027045017.db2.gz DILBSWSMJGZHOS-RBYDMJRISA-N 0 3 315.486 3.626 20 30 DHEDHN C=CCOc1cccc(CN2CCC[C@@H]2c2cn(C)nc2C)c1 ZINC000362337832 1027153979 /nfs/dbraw/zinc/15/39/79/1027153979.db2.gz YWDKALVURAWFCG-LJQANCHMSA-N 0 3 311.429 3.630 20 30 DHEDHN C[C@H](NCc1cccc(-c2nccn2C)c1)c1ccc(C#N)cc1 ZINC000362339574 1027154569 /nfs/dbraw/zinc/15/45/69/1027154569.db2.gz HKRXAGFXQUHMFP-HNNXBMFYSA-N 0 3 316.408 3.810 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)s1 ZINC000362388660 1027178878 /nfs/dbraw/zinc/17/88/78/1027178878.db2.gz HBESCZQFYKRYJC-ZWKOTPCHSA-N 0 3 312.438 3.708 20 30 DHEDHN C=CCCC[C@@H](NCc1[nH]nc2c1COCC2)c1ccccc1 ZINC000931694968 1027217665 /nfs/dbraw/zinc/21/76/65/1027217665.db2.gz PWVMPEGNYJQLRU-QGZVFWFLSA-N 0 3 311.429 3.670 20 30 DHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cccc(F)c1CC#N ZINC001170686476 1027402979 /nfs/dbraw/zinc/40/29/79/1027402979.db2.gz SPPYHWRGEITADS-ZDUSSCGKSA-N 0 3 320.371 3.764 20 30 DHEDHN CCN(Cc1ccc(C#N)cc1OC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812847420 1027443192 /nfs/dbraw/zinc/44/31/92/1027443192.db2.gz DBBWHUUMZHIVOW-MGPUTAFESA-N 0 3 324.424 3.511 20 30 DHEDHN N#Cc1ccc([C@H](O)CN2CC3(CCC3)[C@H]2c2ccccc2)cc1 ZINC000295823251 1027444442 /nfs/dbraw/zinc/44/44/42/1027444442.db2.gz CEKAWCSXVGFWLJ-WOJBJXKFSA-N 0 3 318.420 3.819 20 30 DHEDHN CCN(Cc1cccc(C#N)c1F)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848235 1027446610 /nfs/dbraw/zinc/44/66/10/1027446610.db2.gz IMCQINDTHUXJFY-AUUYWEPGSA-N 0 3 312.388 3.641 20 30 DHEDHN N#Cc1ccc2c(c1)CN([C@@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001170689496 1027454824 /nfs/dbraw/zinc/45/48/24/1027454824.db2.gz KSTZGYWNZSTEKQ-GOSISDBHSA-N 0 3 324.374 3.752 20 30 DHEDHN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000813059554 1027509320 /nfs/dbraw/zinc/50/93/20/1027509320.db2.gz BRPQVTRLYJPCDE-DJIMGWMZSA-N 0 3 320.392 3.923 20 30 DHEDHN Cc1c([C@@H]2CCCN2Cc2ccccc2C(C)(C)C#N)cnn1C ZINC000363152413 1027536628 /nfs/dbraw/zinc/53/66/28/1027536628.db2.gz VWYJABPHNRDMHL-IBGZPJMESA-N 0 3 322.456 3.867 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nc4c(s3)CCC4)CC2)C1 ZINC000932619467 1027566709 /nfs/dbraw/zinc/56/67/09/1027566709.db2.gz MNFXYEATHDELGC-OCCSQVGLSA-N 0 3 301.459 3.503 20 30 DHEDHN CC[C@@H](NCc1cnc(OC)c(Cl)c1)c1ccc(C#N)cc1 ZINC000296415542 1027631490 /nfs/dbraw/zinc/63/14/90/1027631490.db2.gz LCHOUXREZNNMAF-MRXNPFEDSA-N 0 3 315.804 3.856 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000047726371 1027675454 /nfs/dbraw/zinc/67/54/54/1027675454.db2.gz ZLDDPEXKSAUHIS-UHFFFAOYSA-N 0 3 309.369 3.879 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCOC2(CCC2)C1 ZINC000778174861 1027740922 /nfs/dbraw/zinc/74/09/22/1027740922.db2.gz ZXMKFWXCGDYVPH-AWEZNQCLSA-N 0 3 319.832 3.543 20 30 DHEDHN CCc1onc(C)c1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933609966 1027773487 /nfs/dbraw/zinc/77/34/87/1027773487.db2.gz FQPQBJQGCGBYEA-UHFFFAOYSA-N 0 3 309.413 3.797 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCO[C@H](C(C)C)C1 ZINC000778178294 1027792733 /nfs/dbraw/zinc/79/27/33/1027792733.db2.gz LCXORTQEWDQCGD-KSSFIOAISA-N 0 3 321.848 3.645 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(OCC)c2)cc1 ZINC000159388439 1027898664 /nfs/dbraw/zinc/89/86/64/1027898664.db2.gz QEPNJOGBPGYUGL-MRXNPFEDSA-N 0 3 309.409 3.948 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934421901 1027998712 /nfs/dbraw/zinc/99/87/12/1027998712.db2.gz KTLIHSAWIZCXPO-OAHLLOKOSA-N 0 3 321.848 3.562 20 30 DHEDHN COc1cccc2c1OCCC[C@@H]2NCc1ccc(CC#N)cc1 ZINC000601283449 1028058441 /nfs/dbraw/zinc/05/84/41/1028058441.db2.gz ZVITVKPVYDHOKN-SFHVURJKSA-N 0 3 322.408 3.765 20 30 DHEDHN COc1cccc(CN2CCC(CCC#N)CC2)c1OC(C)C ZINC000578508105 1028169191 /nfs/dbraw/zinc/16/91/91/1028169191.db2.gz VGDWOIFZYBHSQX-UHFFFAOYSA-N 0 3 316.445 3.998 20 30 DHEDHN C#CC[C@H](NC[C@@H](O)c1cc2ccccc2o1)c1ccccc1 ZINC000815083700 1028354909 /nfs/dbraw/zinc/35/49/09/1028354909.db2.gz XVBIZBYPKDMAHD-ZWKOTPCHSA-N 0 3 305.377 3.820 20 30 DHEDHN C[C@H](NC[C@@H](O)c1cc2ccccc2o1)c1cccc(C#N)c1 ZINC000815083457 1028356840 /nfs/dbraw/zinc/35/68/40/1028356840.db2.gz ZPMKSRZSMGUFRO-SUMWQHHRSA-N 0 3 306.365 3.689 20 30 DHEDHN COc1ccc(CNCc2cc(C)cc(Cl)c2)cc1C#N ZINC000815132119 1028393683 /nfs/dbraw/zinc/39/36/83/1028393683.db2.gz UZLCVBAQNSGZQT-UHFFFAOYSA-N 0 3 300.789 3.819 20 30 DHEDHN CCC[C@@H](C)CC[C@H](C)N1CCC(C#N)(C(=O)OCC)CC1 ZINC001257486260 1028410822 /nfs/dbraw/zinc/41/08/22/1028410822.db2.gz UJVMYGCHSNTEBF-CVEARBPZSA-N 0 3 308.466 3.760 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OC(C)C)nc2)cc1 ZINC000160053746 1028415076 /nfs/dbraw/zinc/41/50/76/1028415076.db2.gz UERZZQPWAFRAQS-MRXNPFEDSA-N 0 3 324.424 3.732 20 30 DHEDHN C=C(C)CN(C)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000779143612 1028423252 /nfs/dbraw/zinc/42/32/52/1028423252.db2.gz DDPHJSJXBWWAKL-UHFFFAOYSA-N 0 3 316.445 3.992 20 30 DHEDHN C=CC[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000815580883 1028554646 /nfs/dbraw/zinc/55/46/46/1028554646.db2.gz SKJRCLIRRVCDNA-MLGOLLRUSA-N 0 3 312.373 3.540 20 30 DHEDHN C[C@H](NCCCCC(C)(C)C#N)c1cn(-c2ccccc2)nn1 ZINC000370501200 1028610250 /nfs/dbraw/zinc/61/02/50/1028610250.db2.gz WEOFHJKEPOFVEG-HNNXBMFYSA-N 0 3 311.433 3.638 20 30 DHEDHN COCC[C@H](C)N[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370663053 1028631459 /nfs/dbraw/zinc/63/14/59/1028631459.db2.gz RBXDWBKPXBAKQA-QWHCGFSZSA-N 0 3 315.442 3.757 20 30 DHEDHN N#CC(C(=O)CCc1cncs1)c1ccc2ccccc2n1 ZINC000815900326 1028651679 /nfs/dbraw/zinc/65/16/79/1028651679.db2.gz YHHDDVDJHFMTEF-CQSZACIVSA-N 0 3 307.378 3.500 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000566301481 1028699272 /nfs/dbraw/zinc/69/92/72/1028699272.db2.gz MHNXCBRHEBJDFU-KRWDZBQOSA-N 0 3 321.380 3.531 20 30 DHEDHN N#CC(=C([O-])c1ccc(C[NH+]2CCCCC2)cc1)c1ccccn1 ZINC000041492777 1028733460 /nfs/dbraw/zinc/73/34/60/1028733460.db2.gz JCMJEBAPXIWPSQ-SFHVURJKSA-N 0 3 319.408 3.558 20 30 DHEDHN N#C[C@H](C(=O)c1ccc(CN2CCCCC2)cc1)c1ccccn1 ZINC000041492777 1028733470 /nfs/dbraw/zinc/73/34/70/1028733470.db2.gz JCMJEBAPXIWPSQ-SFHVURJKSA-N 0 3 319.408 3.558 20 30 DHEDHN Cc1cc(CN[C@H]2CCCN(C)c3ccccc32)ccc1C#N ZINC000449647142 1028875850 /nfs/dbraw/zinc/87/58/50/1028875850.db2.gz CWMNCSZASPUKLI-IBGZPJMESA-N 0 3 305.425 3.928 20 30 DHEDHN C=CCC[C@@H](CO)NCc1ccc(-c2cccc(F)c2F)o1 ZINC000449697170 1028919314 /nfs/dbraw/zinc/91/93/14/1028919314.db2.gz KJCHWAUQRWEHHO-LBPRGKRZSA-N 0 3 307.340 3.642 20 30 DHEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1 ZINC000816645071 1028971180 /nfs/dbraw/zinc/97/11/80/1028971180.db2.gz GFOWTAYKTZNJOJ-HNNXBMFYSA-N 0 3 319.383 3.844 20 30 DHEDHN C=CC(C)(C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000628316927 1029000159 /nfs/dbraw/zinc/00/01/59/1029000159.db2.gz PJUODTITMWLATQ-UHFFFAOYSA-N 0 3 300.446 3.615 20 30 DHEDHN N#Cc1ccc(CNCc2cccc(-c3cccnc3)c2)s1 ZINC000373318055 1029005391 /nfs/dbraw/zinc/00/53/91/1029005391.db2.gz LVEIZNDGCVYWKG-UHFFFAOYSA-N 0 3 305.406 3.972 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000411179976 1029056303 /nfs/dbraw/zinc/05/63/03/1029056303.db2.gz LZIIZRPTXOWFPL-QLFBSQMISA-N 0 3 306.475 3.524 20 30 DHEDHN C[S@@](=O)C[C@H](NCCC1(C#N)CCCCC1)c1ccccc1 ZINC000411468767 1029135829 /nfs/dbraw/zinc/13/58/29/1029135829.db2.gz CVJKEQVIDWOVQN-HTAPYJJXSA-N 0 3 318.486 3.560 20 30 DHEDHN CN(CCOCc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411737051 1029193635 /nfs/dbraw/zinc/19/36/35/1029193635.db2.gz OJPZIRFEIOUEJH-VQTJNVASSA-N 0 3 324.399 3.702 20 30 DHEDHN N#CC(C(=O)c1cccc(Cl)c1)c1cnc2ccccc2n1 ZINC000190912428 1029208455 /nfs/dbraw/zinc/20/84/55/1029208455.db2.gz KXJBHOLBTLGGRG-CYBMUJFWSA-N 0 3 307.740 3.773 20 30 DHEDHN Cc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)c(C)c1 ZINC000190942018 1029217933 /nfs/dbraw/zinc/21/79/33/1029217933.db2.gz NNTNDLFTIWCZFA-HNNXBMFYSA-N 0 3 301.349 3.737 20 30 DHEDHN COC1([C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC000412021647 1029289384 /nfs/dbraw/zinc/28/93/84/1029289384.db2.gz NCQVQRMIOSMACJ-CYBMUJFWSA-N 0 3 311.347 3.604 20 30 DHEDHN Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H](N)CCCC#N ZINC000818056142 1029338110 /nfs/dbraw/zinc/33/81/10/1029338110.db2.gz QVVAXIBUWWYGTC-QGZVFWFLSA-N 0 3 307.397 3.622 20 30 DHEDHN C=CCC(CC=C)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000374545073 1029380345 /nfs/dbraw/zinc/38/03/45/1029380345.db2.gz KMASHQKZQXRLES-UHFFFAOYSA-N 0 3 318.486 3.597 20 30 DHEDHN CCOc1cccc(/C=N/C[C@@H](c2ccccc2)N(C)C)c1O ZINC000078363096 1029397524 /nfs/dbraw/zinc/39/75/24/1029397524.db2.gz OSSWONJGRQTGOK-NNIWKIFQSA-N 0 3 312.413 3.513 20 30 DHEDHN C=CCOc1ccccc1CNC[C@@H](O)c1ccc(F)cc1C ZINC000819051027 1029458391 /nfs/dbraw/zinc/45/83/91/1029458391.db2.gz ZSQAMBPMQSBDIK-GOSISDBHSA-N 0 3 315.388 3.522 20 30 DHEDHN C=CCCCN(C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000121076419 1029493544 /nfs/dbraw/zinc/49/35/44/1029493544.db2.gz IALQEKXKALHTGY-LSDHHAIUSA-N 0 3 306.475 3.698 20 30 DHEDHN C=C[C@@H](CC)CC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001136201191 1029514883 /nfs/dbraw/zinc/51/48/83/1029514883.db2.gz ZMAYVGFCXIJETI-LPHOPBHVSA-N 0 3 314.473 3.542 20 30 DHEDHN C=CCN(CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000303854818 1029836197 /nfs/dbraw/zinc/83/61/97/1029836197.db2.gz OTMNYIWWKJBCEH-UHFFFAOYSA-N 0 3 322.408 3.634 20 30 DHEDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1CCOc1ccc(C#N)cc1 ZINC000451418964 1029871599 /nfs/dbraw/zinc/87/15/99/1029871599.db2.gz NSEHWUPVRCFPTQ-OCCSQVGLSA-N 0 3 312.335 3.600 20 30 DHEDHN C#C[C@H](N[C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000822485214 1030042330 /nfs/dbraw/zinc/04/23/30/1030042330.db2.gz IHLUQNOQHQXFKZ-YKJOPOJSSA-N 0 3 303.833 3.808 20 30 DHEDHN C[C@H](CC(C)(C)C#N)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000924847879 1030202448 /nfs/dbraw/zinc/20/24/48/1030202448.db2.gz FXGYVHMPOOQHPB-COXVUDFISA-N 0 3 304.409 3.964 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000533234930 1030213604 /nfs/dbraw/zinc/21/36/04/1030213604.db2.gz SJWXWAFLQKRLGA-XHSDSOJGSA-N 0 3 320.502 3.629 20 30 DHEDHN C[C@@H](NCc1ccc(C2(C)OCCO2)cc1)c1cccc(C#N)c1 ZINC000866421845 1030291245 /nfs/dbraw/zinc/29/12/45/1030291245.db2.gz CEBMPUPAZHNUPC-OAHLLOKOSA-N 0 3 322.408 3.629 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000533489224 1030377626 /nfs/dbraw/zinc/37/76/26/1030377626.db2.gz PAJHAWMTPWXBNX-SFHVURJKSA-N 0 3 302.462 3.788 20 30 DHEDHN C=CCN1CCC(Nc2nc(C)nc3sc(C)c(C)c32)CC1 ZINC000358460043 1030498231 /nfs/dbraw/zinc/49/82/31/1030498231.db2.gz HFBUMSPIMQDFKT-UHFFFAOYSA-N 0 3 316.474 3.679 20 30 DHEDHN Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358567904 1030539098 /nfs/dbraw/zinc/53/90/98/1030539098.db2.gz KOEBQMASPLSPJK-WDEREUQCSA-N 0 3 301.365 3.757 20 30 DHEDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2F)C12CCC2 ZINC000358580583 1030544467 /nfs/dbraw/zinc/54/44/67/1030544467.db2.gz YDIJZWTWUIGNHF-OAUYIBNBSA-N 0 3 302.393 3.696 20 30 DHEDHN CCOc1ccc2c(c1)[C@@H](N[C@H](C)CC(C)(C)C#N)CCO2 ZINC000926209671 1030656553 /nfs/dbraw/zinc/65/65/53/1030656553.db2.gz GTVXHRDBQQTAIU-CJNGLKHVSA-N 0 3 302.418 3.827 20 30 DHEDHN Cc1noc(C[C@H](N[C@H](C)CC(C)(C)C#N)c2ccccc2)n1 ZINC000926285777 1030686906 /nfs/dbraw/zinc/68/69/06/1030686906.db2.gz VMPXMQVEDCDFNO-CJNGLKHVSA-N 0 3 312.417 3.580 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1c(C)cc(OC)nc1C ZINC000359298045 1030896368 /nfs/dbraw/zinc/89/63/68/1030896368.db2.gz KAZHMPSKCKRJRS-UHFFFAOYSA-N 0 3 300.402 3.531 20 30 DHEDHN COc1cccc2c1OCCC[C@@H]2N[C@@H](C)CC(C)(C)C#N ZINC000926858991 1030956236 /nfs/dbraw/zinc/95/62/36/1030956236.db2.gz QTNQAJGMRVHBAI-ZFWWWQNUSA-N 0 3 302.418 3.827 20 30 DHEDHN CC[C@@H](N[C@H]1c2ccccc2CC[C@H]1O)c1ccc(C#N)cc1 ZINC000927139206 1031114499 /nfs/dbraw/zinc/11/44/99/1031114499.db2.gz JQAYDGVZUUSXHM-AQNXPRMDSA-N 0 3 306.409 3.647 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000359841769 1031158367 /nfs/dbraw/zinc/15/83/67/1031158367.db2.gz PBZLAYCJQIYVML-LPHOPBHVSA-N 0 3 312.457 3.534 20 30 DHEDHN C=CCN(CC[C@H]1CCCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000347398163 1031220568 /nfs/dbraw/zinc/22/05/68/1031220568.db2.gz HEXBCALWRAYQEN-QGZVFWFLSA-N 0 3 304.390 3.542 20 30 DHEDHN N#Cc1cncc(CN2CCC3(C=Cc4ccccc43)CC2)c1 ZINC001144074338 1031224499 /nfs/dbraw/zinc/22/44/99/1031224499.db2.gz JJJRKSJHEWZICI-UHFFFAOYSA-N 0 3 301.393 3.514 20 30 DHEDHN Cc1ccc2c(c1)C1(CC2)CCN(Cc2cncc(C#N)c2)CC1 ZINC001144080033 1031233647 /nfs/dbraw/zinc/23/36/47/1031233647.db2.gz AXVPZGIBWPUCAD-UHFFFAOYSA-N 0 3 317.436 3.742 20 30 DHEDHN C=CCN(CCc1ccco1)CCc1nc(-c2ccccc2)no1 ZINC000272259312 1031269865 /nfs/dbraw/zinc/26/98/65/1031269865.db2.gz JSUCJQLIMYOGLW-UHFFFAOYSA-N 0 3 323.396 3.603 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000272220524 1031269917 /nfs/dbraw/zinc/26/99/17/1031269917.db2.gz BVPGDRJCZHJPBE-UHFFFAOYSA-N 0 3 324.428 3.836 20 30 DHEDHN N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1C1CCOCC1 ZINC000360139414 1031289370 /nfs/dbraw/zinc/28/93/70/1031289370.db2.gz KYOCPKBZXTWBSB-QGZVFWFLSA-N 0 3 304.821 3.603 20 30 DHEDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)CC#N ZINC000872079496 1031477347 /nfs/dbraw/zinc/47/73/47/1031477347.db2.gz NRERYFLYMGCUHY-NSHDSACASA-N 0 3 307.419 3.907 20 30 DHEDHN C=CCN(Cc1ccc(OCC(F)(F)F)nc1)C(C)(C)C ZINC001144356773 1031496511 /nfs/dbraw/zinc/49/65/11/1031496511.db2.gz LQEJIWCMGGERPJ-UHFFFAOYSA-N 0 3 302.340 3.809 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc2oc(=O)[nH]c2c1 ZINC000872123034 1031513592 /nfs/dbraw/zinc/51/35/92/1031513592.db2.gz LGWSDOYAICDQSG-INIZCTEOSA-N 0 3 319.364 3.572 20 30 DHEDHN C[C@@H](NCCCOc1cccc(C#N)c1)c1cccc(F)c1F ZINC000537127457 1031513593 /nfs/dbraw/zinc/51/35/93/1031513593.db2.gz QTLFGXRNLSCLOY-CYBMUJFWSA-N 0 3 316.351 3.956 20 30 DHEDHN Cc1ccc(N2CCC[C@@H](NCc3ccc(C#N)cc3F)C2)cc1 ZINC000772920196 1031523981 /nfs/dbraw/zinc/52/39/81/1031523981.db2.gz DWZXFRCTPLGBSK-GOSISDBHSA-N 0 3 323.415 3.764 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)NCC(=O)c1ccc(Cl)cc1 ZINC001171178117 1031554899 /nfs/dbraw/zinc/55/48/99/1031554899.db2.gz CNBOTRRHAVMVLX-ZDUSSCGKSA-N 0 3 312.800 3.615 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2ccc(C3CC3)c(C)c2)CC1 ZINC000360813392 1031570431 /nfs/dbraw/zinc/57/04/31/1031570431.db2.gz OLEGZFWBHVECSM-UHFFFAOYSA-N 0 3 313.445 3.644 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)n1nc(-c2ccccc2)cc1CN ZINC001171182229 1031580450 /nfs/dbraw/zinc/58/04/50/1031580450.db2.gz TZKBHARPMDWAFI-HNNXBMFYSA-N 0 3 316.408 3.684 20 30 DHEDHN N#CC[C@@H](O)CN[C@H](CCCc1ccccc1)c1ccccc1 ZINC000929863293 1031628997 /nfs/dbraw/zinc/62/89/97/1031628997.db2.gz QYUDIHGPWVEHRR-WOJBJXKFSA-N 0 3 308.425 3.615 20 30 DHEDHN C#Cc1ccc(CN2CCN([C@H](C)c3ccccc3)CC2)cc1 ZINC001144576539 1031725814 /nfs/dbraw/zinc/72/58/14/1031725814.db2.gz MPBXOEUQZGGZNZ-GOSISDBHSA-N 0 3 304.437 3.547 20 30 DHEDHN C#Cc1ccc(CN2CCC[C@H](Oc3cccc(OC)c3)C2)cc1 ZINC001144574009 1031725852 /nfs/dbraw/zinc/72/58/52/1031725852.db2.gz XZCOBEAOSIKOLL-NRFANRHFSA-N 0 3 321.420 3.720 20 30 DHEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000026470129 1031767563 /nfs/dbraw/zinc/76/75/63/1031767563.db2.gz DWUWWTURGVNOJM-IUODEOHRSA-N 0 3 319.836 3.661 20 30 DHEDHN C=CCNC(=O)CN[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000537474451 1031803071 /nfs/dbraw/zinc/80/30/71/1031803071.db2.gz AUGDUEBJOBMZIR-FQEVSTJZSA-N 0 3 322.452 3.642 20 30 DHEDHN C#C[C@@](C)(CC)NCc1cncc(-c2cc(F)ccc2OC)c1 ZINC000930599630 1031885358 /nfs/dbraw/zinc/88/53/58/1031885358.db2.gz BWOOJBBLOQMYIE-IBGZPJMESA-N 0 3 312.388 3.788 20 30 DHEDHN C#C[C@@H]1CCCN(Cc2cncc(-c3cc(F)ccc3OC)c2)C1 ZINC000930885110 1031974471 /nfs/dbraw/zinc/97/44/71/1031974471.db2.gz JTXZXTACHYFMPR-OAHLLOKOSA-N 0 3 324.399 3.742 20 30 DHEDHN N#Cc1cccc(-c2nnc(CN(CC3CC3)CC3CCC3)o2)c1 ZINC000361572514 1031995551 /nfs/dbraw/zinc/99/55/51/1031995551.db2.gz UCIHMBHLNIQYTM-UHFFFAOYSA-N 0 3 322.412 3.620 20 30 DHEDHN C=CCCCN(CC)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000898244794 1031998644 /nfs/dbraw/zinc/99/86/44/1031998644.db2.gz QGSWMWBLCJQILJ-UHFFFAOYSA-N 0 3 320.437 3.612 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCOC[C@@H]1C1CCCCC1 ZINC001171231668 1032000900 /nfs/dbraw/zinc/00/09/00/1032000900.db2.gz KQDXQCSVIUWSPX-OXJNMPFZSA-N 0 3 312.457 3.770 20 30 DHEDHN N#Cc1cc(Cl)cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000931026550 1032013831 /nfs/dbraw/zinc/01/38/31/1032013831.db2.gz XLKBQNDJZCPARU-FUHWJXTLSA-N 0 3 318.848 3.993 20 30 DHEDHN N#CC1(c2ccc(CN[C@@H](c3ccncc3)C3CC3)cc2)CC1 ZINC000898320864 1032020603 /nfs/dbraw/zinc/02/06/03/1032020603.db2.gz NRXYVYJCYHBRMZ-LJQANCHMSA-N 0 3 303.409 3.878 20 30 DHEDHN CC1(C)CC(NC(=N)c2ccc3ccccc3n2)CC(C)(C)O1 ZINC001172652301 1033306076 /nfs/dbraw/zinc/30/60/76/1033306076.db2.gz OUUOPYOKKGBIRS-UHFFFAOYSA-N 0 3 311.429 3.676 20 30 DHEDHN C[C@@H](NC[C@@H](C)CCC#N)c1nc(-c2ccc(Cl)cc2)no1 ZINC000877471463 1033311244 /nfs/dbraw/zinc/31/12/44/1033311244.db2.gz XIQZTSLLPAROKL-NWDGAFQWSA-N 0 3 318.808 3.980 20 30 DHEDHN C[C@@H](CCC#N)CN1CCC(O)(c2ccccc2Cl)CC1 ZINC000877477712 1033314173 /nfs/dbraw/zinc/31/41/73/1033314173.db2.gz FYZWTMTWVBQJPM-AWEZNQCLSA-N 0 3 306.837 3.563 20 30 DHEDHN COc1ccc(CN(CCCC#N)CC2CCC2)c(OC)c1 ZINC000338332964 1033323945 /nfs/dbraw/zinc/32/39/45/1033323945.db2.gz NJECOURBIRCRCV-UHFFFAOYSA-N 0 3 302.418 3.610 20 30 DHEDHN C#C[C@H](N[C@@H](C)CC[P@@](C)(=O)OCC)c1ccc(F)cc1 ZINC000877544299 1033345087 /nfs/dbraw/zinc/34/50/87/1033345087.db2.gz OCOJSCDUGCZMOP-PCMMCCAGSA-N 0 3 311.337 3.813 20 30 DHEDHN C#C[C@H](N[C@H](C)CC[P@](C)(=O)OCC)c1ccc(F)cc1 ZINC000877544312 1033346395 /nfs/dbraw/zinc/34/63/95/1033346395.db2.gz OCOJSCDUGCZMOP-ZQWRNJAYSA-N 0 3 311.337 3.813 20 30 DHEDHN CC(C)c1cc([C@@H]2CCCN(Cc3ccccc3C#N)C2)n[nH]1 ZINC000877783623 1033449427 /nfs/dbraw/zinc/44/94/27/1033449427.db2.gz BPIYGIJJQXJWMK-QGZVFWFLSA-N 0 3 308.429 3.784 20 30 DHEDHN C=CC(C)(C)CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000877943494 1033525742 /nfs/dbraw/zinc/52/57/42/1033525742.db2.gz JGEKXCRWMSGMMA-CQSZACIVSA-N 0 3 306.475 3.604 20 30 DHEDHN Cc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000152997357 1033556291 /nfs/dbraw/zinc/55/62/91/1033556291.db2.gz ZFTQSZNDQCDUHK-UHFFFAOYSA-N 0 3 305.425 3.943 20 30 DHEDHN C=C[C@](C)(O)CN1CCC[C@H]1c1cccc(Br)c1 ZINC001252558772 1033602016 /nfs/dbraw/zinc/60/20/16/1033602016.db2.gz IVWVUAOBQVBUSU-GJZGRUSLSA-N 0 3 310.235 3.523 20 30 DHEDHN C=CCOC1CCC(N(C)Cc2cn3ccc(C)cc3n2)CC1 ZINC001173326352 1033685512 /nfs/dbraw/zinc/68/55/12/1033685512.db2.gz ZJOHGCDJDOVSCW-UHFFFAOYSA-N 0 3 313.445 3.588 20 30 DHEDHN N#CCC1CCC(N[C@H](CO)c2cccc(Cl)c2F)CC1 ZINC001173332626 1033691169 /nfs/dbraw/zinc/69/11/69/1033691169.db2.gz PVBPNRUPBVECBK-KOHJWAIASA-N 0 3 310.800 3.575 20 30 DHEDHN C=C(C)CN(CC[C@@H]1CCCC1(F)F)Cc1ccc(CO)o1 ZINC000878606948 1033766786 /nfs/dbraw/zinc/76/67/86/1033766786.db2.gz QUJLNIYXGANYHU-AWEZNQCLSA-N 0 3 313.388 3.976 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1CCC2(CCC2)CC1)c1ccccc1 ZINC000878609541 1033767075 /nfs/dbraw/zinc/76/70/75/1033767075.db2.gz DPGGZZBELVQVOX-FQEVSTJZSA-N 0 3 310.441 3.693 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000862447357 1033857852 /nfs/dbraw/zinc/85/78/52/1033857852.db2.gz MEJVHVSPRNJRNH-GFCCVEGCSA-N 0 3 315.310 3.612 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CC(Cc3cccs3)C2)cc1 ZINC000862539452 1033878404 /nfs/dbraw/zinc/87/84/04/1033878404.db2.gz ZBKXDARSLDHCRZ-AWEZNQCLSA-N 0 3 312.438 3.713 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CC(Cc3cccs3)C2)cc1 ZINC000862539462 1033880161 /nfs/dbraw/zinc/88/01/61/1033880161.db2.gz ZBKXDARSLDHCRZ-CQSZACIVSA-N 0 3 312.438 3.713 20 30 DHEDHN CC1CCC(N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173476958 1033919840 /nfs/dbraw/zinc/91/98/40/1033919840.db2.gz HGVWPKFVANMLJH-UHFFFAOYSA-N 0 3 310.401 3.619 20 30 DHEDHN CN(C)Cc1ccccc1Nc1nc(C(F)(F)F)ccc1C#N ZINC001173930089 1033991948 /nfs/dbraw/zinc/99/19/48/1033991948.db2.gz PWWYOANIEJYQBZ-UHFFFAOYSA-N 0 3 320.318 3.777 20 30 DHEDHN FC(F)(F)c1cc(N=NC2CCCN3CCCC[C@@H]23)ccn1 ZINC000863178750 1034014227 /nfs/dbraw/zinc/01/42/27/1034014227.db2.gz DICSYOCPPBSBJI-ZDUSSCGKSA-N 0 3 312.339 3.517 20 30 DHEDHN COc1ccc(C#N)cc1CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671216 1034081363 /nfs/dbraw/zinc/08/13/63/1034081363.db2.gz JGROIJNKQFONNV-ZIAGYGMSSA-N 0 3 310.319 3.554 20 30 DHEDHN N#CC1(CCN2Cc3cccnc3N3CCC[C@H]3C2)CCCCC1 ZINC000879692633 1034088735 /nfs/dbraw/zinc/08/87/35/1034088735.db2.gz YXEYIGUHBATFGJ-SFHVURJKSA-N 0 3 324.472 3.730 20 30 DHEDHN C=CCc1cc(OCC)cc(CN2CCC(F)(F)CC2)c1O ZINC000794686527 1034343617 /nfs/dbraw/zinc/34/36/17/1034343617.db2.gz RCIKAAHIHVQGQM-UHFFFAOYSA-N 0 3 311.372 3.751 20 30 DHEDHN N#CCc1cccc(NC2=CCN(Cc3ccccc3)CC2)c1 ZINC001175506786 1035018871 /nfs/dbraw/zinc/01/88/71/1035018871.db2.gz MYCXCNCPPDKNRW-UHFFFAOYSA-N 0 3 303.409 3.954 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(C#N)cc1 ZINC000159826113 1035092184 /nfs/dbraw/zinc/09/21/84/1035092184.db2.gz QDLBHQUZDRZMTI-GJZGRUSLSA-N 0 3 317.396 3.551 20 30 DHEDHN CCN1CCN(c2ccc(Nc3cccc(C#N)c3F)cc2)CC1 ZINC001175781499 1035118821 /nfs/dbraw/zinc/11/88/21/1035118821.db2.gz VBLMDWAHFGIIDH-UHFFFAOYSA-N 0 3 324.403 3.583 20 30 DHEDHN N#Cc1c(CN2CC[C@@H](c3ccc(F)cc3)C2)cn2ccccc12 ZINC000483106757 1035227034 /nfs/dbraw/zinc/22/70/34/1035227034.db2.gz UTOXKSSEZFWODK-MRXNPFEDSA-N 0 3 319.383 3.940 20 30 DHEDHN C[C@H](Cc1ccc(O)cc1)N(C)CC#Cc1ccc(Cl)cc1 ZINC000483610591 1035283932 /nfs/dbraw/zinc/28/39/32/1035283932.db2.gz CLDBTJQROSLLPO-OAHLLOKOSA-N 0 3 313.828 3.960 20 30 DHEDHN COc1ccc(C#N)cc1CN[C@]1(C)CCCc2ccccc21 ZINC000483764684 1035298105 /nfs/dbraw/zinc/29/81/05/1035298105.db2.gz YRGGYXMWOYAHGZ-HXUWFJFHSA-N 0 3 306.409 3.908 20 30 DHEDHN OCCCN(CC#Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000483959068 1035310686 /nfs/dbraw/zinc/31/06/86/1035310686.db2.gz RAQJDQKYNLVHNA-QFIPXVFZSA-N 0 3 319.448 3.800 20 30 DHEDHN C=CCC[C@@H]1CCCN1CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC001176771654 1035330762 /nfs/dbraw/zinc/33/07/62/1035330762.db2.gz QFWCFUCGYLOSBA-CQSZACIVSA-N 0 3 322.836 3.718 20 30 DHEDHN N#CCc1ccc(CN2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001176939574 1035337764 /nfs/dbraw/zinc/33/77/64/1035337764.db2.gz LFWBWYUVQSKKPL-FQEVSTJZSA-N 0 3 306.409 3.716 20 30 DHEDHN Cc1ccc(-c2nc(CCNCc3csc(C#N)c3)co2)cc1 ZINC001177590598 1035382824 /nfs/dbraw/zinc/38/28/24/1035382824.db2.gz SRXIDQVXNQCBAL-UHFFFAOYSA-N 0 3 323.421 3.916 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC001178699885 1035444383 /nfs/dbraw/zinc/44/43/83/1035444383.db2.gz CYQGJNPFZUIRHD-OAHLLOKOSA-N 0 3 309.409 3.865 20 30 DHEDHN COc1ccc(CNCc2cc3c(cccc3C)[nH]2)cc1C#N ZINC001179447540 1035478265 /nfs/dbraw/zinc/47/82/65/1035478265.db2.gz JSHIXJLOHBYXCI-UHFFFAOYSA-N 0 3 305.381 3.646 20 30 DHEDHN Cc1ccc(CNCc2cnc(-c3ccccc3)[nH]2)cc1C#N ZINC001179562690 1035482766 /nfs/dbraw/zinc/48/27/66/1035482766.db2.gz LZRVSIJQOZKDRH-UHFFFAOYSA-N 0 3 302.381 3.547 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000189924335 1035581730 /nfs/dbraw/zinc/58/17/30/1035581730.db2.gz VYEPURWJFPBDRV-PKOBYXMFSA-N 0 3 300.446 3.542 20 30 DHEDHN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2CCCC[C@@H]2CC)c1 ZINC001180161605 1035613591 /nfs/dbraw/zinc/61/35/91/1035613591.db2.gz IZQYBDZFKNOIFP-ROUUACIJSA-N 0 3 312.457 3.755 20 30 DHEDHN C[C@H](CCC#N)CN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001180412620 1035677581 /nfs/dbraw/zinc/67/75/81/1035677581.db2.gz BOLBNCPVZVNFEI-CQSZACIVSA-N 0 3 323.843 3.537 20 30 DHEDHN CC(C)C[C@H](C)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001193898029 1035764784 /nfs/dbraw/zinc/76/47/84/1035764784.db2.gz HVJZRODVHUEPNB-AWEZNQCLSA-N 0 3 305.853 3.768 20 30 DHEDHN C=CCN(C)CCOc1ccc(Cl)cc1Br ZINC000494687175 1035770196 /nfs/dbraw/zinc/77/01/96/1035770196.db2.gz DJUSBMKVOXECRH-UHFFFAOYSA-N 0 3 304.615 3.599 20 30 DHEDHN C[C@H](NCC#Cc1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000192160274 1035772049 /nfs/dbraw/zinc/77/20/49/1035772049.db2.gz MIDLRAOGGAAUGB-KRWDZBQOSA-N 0 3 301.393 3.575 20 30 DHEDHN CCC1(CC)[C@@H](NCc2ccc(Cl)cc2C#N)C[C@@H]1OC ZINC001194094029 1035844056 /nfs/dbraw/zinc/84/40/56/1035844056.db2.gz YPPWPXPZNZCTLY-HOTGVXAUSA-N 0 3 306.837 3.895 20 30 DHEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccc(Cl)cc1C#N ZINC001194094034 1035845192 /nfs/dbraw/zinc/84/51/92/1035845192.db2.gz YPPWPXPZNZCTLY-JKSUJKDBSA-N 0 3 306.837 3.895 20 30 DHEDHN CC(C)P(CCNC(=O)Cc1ccc(F)c(C#N)c1)C(C)C ZINC001181204854 1035864596 /nfs/dbraw/zinc/86/45/96/1035864596.db2.gz KSBYZPZNBZMLFM-UHFFFAOYSA-N 0 3 322.364 3.655 20 30 DHEDHN CCCCCCCCOC(=O)N1CCC2SC(=O)C=C2C1 ZINC001194737700 1035998952 /nfs/dbraw/zinc/99/89/52/1035998952.db2.gz NECNOEPYEOGCQF-AWEZNQCLSA-N 0 3 311.447 3.758 20 30 DHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cc2ccccc2[nH]1 ZINC000775625185 1036087759 /nfs/dbraw/zinc/08/77/59/1036087759.db2.gz DGQPMYRSLGCENS-AWEZNQCLSA-N 0 3 305.381 3.921 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)c3ccccc3)nc21 ZINC000774100242 1036165146 /nfs/dbraw/zinc/16/51/46/1036165146.db2.gz AWYVGPLMBHOTMA-UKRRQHHQSA-N 0 3 303.365 3.851 20 30 DHEDHN N#CCC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000541024055 1036217358 /nfs/dbraw/zinc/21/73/58/1036217358.db2.gz HVAOPOFORZSQBC-UHFFFAOYSA-N 0 3 307.397 4.000 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000464435718 1036356304 /nfs/dbraw/zinc/35/63/04/1036356304.db2.gz GDTPVPHTCCFXTI-LZLYRXPVSA-N 0 3 300.446 3.540 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000464435717 1036357281 /nfs/dbraw/zinc/35/72/81/1036357281.db2.gz GDTPVPHTCCFXTI-JZXOWHBKSA-N 0 3 300.446 3.540 20 30 DHEDHN N#Cc1sccc1N1CCN(CCC2CCCCC2)CC1 ZINC001182865278 1036470848 /nfs/dbraw/zinc/47/08/48/1036470848.db2.gz WTILAYXUVRUERE-UHFFFAOYSA-N 0 3 303.475 3.712 20 30 DHEDHN C=C(C)C(C)(C)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000820370738 1036617477 /nfs/dbraw/zinc/61/74/77/1036617477.db2.gz QWHXHBBRFNKXOM-UHFFFAOYSA-N 0 3 305.418 3.637 20 30 DHEDHN C#CCCN[C@@H]1c2ccccc2N(C(=O)OC(C)(C)C)C1(C)C ZINC001197247098 1036715774 /nfs/dbraw/zinc/71/57/74/1036715774.db2.gz ZDHAHSURGXFXMI-MRXNPFEDSA-N 0 3 314.429 3.874 20 30 DHEDHN CN(CCCc1ccc(F)c(F)c1)Cc1cc(C#N)cs1 ZINC001184035964 1036734775 /nfs/dbraw/zinc/73/47/75/1036734775.db2.gz SMHZNMKHNHULKD-UHFFFAOYSA-N 0 3 306.381 3.963 20 30 DHEDHN Cc1cc(CN(C)C)cc(NC(=O)/C=C\c2ccc(C#N)cc2)c1 ZINC000492246697 1036797101 /nfs/dbraw/zinc/79/71/01/1036797101.db2.gz GNGOTSMVBRQUPN-HJWRWDBZSA-N 0 3 319.408 3.580 20 30 DHEDHN C[C@H]1CSCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000488229024 1036914427 /nfs/dbraw/zinc/91/44/27/1036914427.db2.gz ZBCFOXHMRONQQY-CYBMUJFWSA-N 0 3 313.388 3.742 20 30 DHEDHN C#CCN(Cc1ccc(CO)cc1)[C@H]1CCCc2ccccc21 ZINC001198104174 1036953016 /nfs/dbraw/zinc/95/30/16/1036953016.db2.gz MOCZVHRCIQGTPG-NRFANRHFSA-N 0 3 305.421 3.692 20 30 DHEDHN N#Cc1ccc(OCCCN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000193576636 1036970895 /nfs/dbraw/zinc/97/08/95/1036970895.db2.gz RVMBRJJYXNLCOR-AWEZNQCLSA-N 0 3 312.335 3.601 20 30 DHEDHN N#Cc1ccc(OCCCN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000193576650 1036971335 /nfs/dbraw/zinc/97/13/35/1036971335.db2.gz RVMBRJJYXNLCOR-CQSZACIVSA-N 0 3 312.335 3.601 20 30 DHEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2Br)C(C)(C)C1 ZINC000492787992 1037012546 /nfs/dbraw/zinc/01/25/46/1037012546.db2.gz GTXJXGDFJUSYAV-NSHDSACASA-N 0 3 307.235 3.941 20 30 DHEDHN C#C[C@@H]1CCCCN1Cc1ccc(OCc2ccccn2)cc1 ZINC001198526408 1037048632 /nfs/dbraw/zinc/04/86/32/1037048632.db2.gz SKHWMKZISGXKBD-LJQANCHMSA-N 0 3 306.409 3.648 20 30 DHEDHN CCC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000193629902 1037050877 /nfs/dbraw/zinc/05/08/77/1037050877.db2.gz XGBHDSIZUWGYBU-GOSISDBHSA-N 0 3 307.397 3.628 20 30 DHEDHN Cn1cccc1[C@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000175144671 1037094147 /nfs/dbraw/zinc/09/41/47/1037094147.db2.gz AHPMSPIGKWPLQF-LJQANCHMSA-N 0 3 309.413 3.503 20 30 DHEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000911952499 1037250008 /nfs/dbraw/zinc/25/00/08/1037250008.db2.gz RLZYQYRBJGYVFH-SFHVURJKSA-N 0 3 308.425 3.900 20 30 DHEDHN C#CCOc1ccccc1CNC[C@@H](OCC)c1ccccc1 ZINC000775029268 1037433876 /nfs/dbraw/zinc/43/38/76/1037433876.db2.gz YYRKDCWLRXCFIB-HXUWFJFHSA-N 0 3 309.409 3.566 20 30 DHEDHN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1CCCC#N ZINC000493975633 1037602579 /nfs/dbraw/zinc/60/25/79/1037602579.db2.gz UPKXTRMYBBWXDS-HOTGVXAUSA-N 0 3 321.465 3.544 20 30 DHEDHN C=CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccncc1 ZINC000776155835 1037606769 /nfs/dbraw/zinc/60/67/69/1037606769.db2.gz IZTIKWJVWIWUJN-BEFAXECRSA-N 0 3 307.397 3.952 20 30 DHEDHN CC(CCN(C)C)=NN=C(C(=O)c1ccccc1)c1ccccc1 ZINC000915936103 1037616178 /nfs/dbraw/zinc/61/61/78/1037616178.db2.gz ARCFXDYDXXWBDG-UHFFFAOYSA-N 0 3 321.424 3.686 20 30 DHEDHN N#CCc1ccc(CN2CCC(Oc3cccc(F)c3)CC2)cc1 ZINC000528571093 1037626240 /nfs/dbraw/zinc/62/62/40/1037626240.db2.gz IQPDWNQCYHEGKF-UHFFFAOYSA-N 0 3 324.399 3.935 20 30 DHEDHN COc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)c(C)c1 ZINC000776169089 1037673484 /nfs/dbraw/zinc/67/34/84/1037673484.db2.gz KGNDZMZLVQHNMN-OAHLLOKOSA-N 0 3 310.397 3.757 20 30 DHEDHN CN(C)[C@H]1CCOc2c(Nc3ccc(C#N)cc3F)cccc21 ZINC001201573736 1037788061 /nfs/dbraw/zinc/78/80/61/1037788061.db2.gz CGVOGGSDGFGHRW-KRWDZBQOSA-N 0 3 311.360 3.826 20 30 DHEDHN CCCCCCCCCCCCN1CC(N2CCN(C)CC2)C1 ZINC001201633719 1037801917 /nfs/dbraw/zinc/80/19/17/1037801917.db2.gz IMJDLUUEBDUBBH-UHFFFAOYSA-N 0 3 323.569 3.839 20 30 DHEDHN CCCCCCCCCCCCN1CCN(CCCO)CC1 ZINC001201631521 1037802523 /nfs/dbraw/zinc/80/25/23/1037802523.db2.gz VMXPCLKFWQULKR-UHFFFAOYSA-N 0 3 312.542 3.907 20 30 DHEDHN CCCCCCCCN1CCn2c(CN(C)C(C)C)cnc2C1 ZINC001201814897 1037902066 /nfs/dbraw/zinc/90/20/66/1037902066.db2.gz TVLUZKPLCITMTO-UHFFFAOYSA-N 0 3 320.525 3.899 20 30 DHEDHN CCCCCCCN1CCCn2cnc(COC(C)C)c2C1 ZINC001201777040 1037903232 /nfs/dbraw/zinc/90/32/32/1037903232.db2.gz SHFUSPFLQWZFAY-UHFFFAOYSA-N 0 3 307.482 3.984 20 30 DHEDHN CCCCCCCCN1CCN(c2ccc(Cl)nn2)CC1 ZINC001201840464 1037918529 /nfs/dbraw/zinc/91/85/29/1037918529.db2.gz XAIBJIUNZASVQX-UHFFFAOYSA-N 0 3 310.873 3.613 20 30 DHEDHN CCCCCCCCCCN1Cc2ccnn2CC[C@H]1CO ZINC001201875133 1037925198 /nfs/dbraw/zinc/92/51/98/1037925198.db2.gz QGZWRDDLZNJMQM-SFHVURJKSA-N 0 3 307.482 3.590 20 30 DHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000586790317 1037971412 /nfs/dbraw/zinc/97/14/12/1037971412.db2.gz PZDBZYUFPOMXGJ-VXGBXAGGSA-N 0 3 307.353 3.817 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccccc1-n1ccnn1)c1cccc(C#N)c1 ZINC000586790252 1037971827 /nfs/dbraw/zinc/97/18/27/1037971827.db2.gz BZLTZGQBDQITAI-HUUCEWRRSA-N 0 3 317.396 3.551 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000586793829 1037975294 /nfs/dbraw/zinc/97/52/94/1037975294.db2.gz DROLYFXSPZDBTO-BDJLRTHQSA-N 0 3 319.364 3.743 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H](C)CC ZINC000916905401 1038044152 /nfs/dbraw/zinc/04/41/52/1038044152.db2.gz CANMBLJZNWPZTR-DOMZBBRYSA-N 0 3 300.402 3.505 20 30 DHEDHN C=CCOc1cccc(CN(C)[C@H](CCO)c2ccccc2)c1 ZINC000126884987 1038132819 /nfs/dbraw/zinc/13/28/19/1038132819.db2.gz PCOUYCRSIUSNIV-HXUWFJFHSA-N 0 3 311.425 3.807 20 30 DHEDHN CC[C@H](C)N(CC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000595593037 1038204944 /nfs/dbraw/zinc/20/49/44/1038204944.db2.gz MNWSTZYFYOGYEY-AWEZNQCLSA-N 0 3 321.852 3.707 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000192998811 1038297360 /nfs/dbraw/zinc/29/73/60/1038297360.db2.gz RIGWDSPEGZALLO-KBPBESRZSA-N 0 3 308.381 3.741 20 30 DHEDHN C[C@H](Cc1ccc(F)cc1Br)NCC(C)(C)C#N ZINC000589174668 1038440021 /nfs/dbraw/zinc/44/00/21/1038440021.db2.gz JCFAJDDLIDOZDL-SNVBAGLBSA-N 0 3 313.214 3.659 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(OC(F)F)cc1)CC2 ZINC000589336988 1038460214 /nfs/dbraw/zinc/46/02/14/1038460214.db2.gz BQXQCNYWDOTPOH-KRWDZBQOSA-N 0 3 314.335 3.937 20 30 DHEDHN C#CCCCCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001192107708 1038587871 /nfs/dbraw/zinc/58/78/71/1038587871.db2.gz LGDRZWFAZJEPMO-UHFFFAOYSA-N 0 3 318.436 3.540 20 30 DHEDHN C=C(C)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC001192435981 1038656977 /nfs/dbraw/zinc/65/69/77/1038656977.db2.gz WXCLQAYZRSTTKP-UHFFFAOYSA-N 0 3 304.437 3.950 20 30 DHEDHN Cc1cc(C#N)ccc1CN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000590750305 1038698389 /nfs/dbraw/zinc/69/83/89/1038698389.db2.gz YHPIDNXCHKWQQU-SFHVURJKSA-N 0 3 314.816 3.686 20 30 DHEDHN Cc1cc(F)ccc1[C@@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000775550890 1038707865 /nfs/dbraw/zinc/70/78/65/1038707865.db2.gz OTWGPMRIURVBGC-MOPGFXCFSA-N 0 3 312.388 3.802 20 30 DHEDHN N#CCC[C@@H](C#N)CNCC[C@H](c1ccccc1)C(F)(F)F ZINC000591374643 1038841274 /nfs/dbraw/zinc/84/12/74/1038841274.db2.gz QLMVCQZEWQEVPI-DZGCQCFKSA-N 0 3 309.335 3.756 20 30 DHEDHN COc1cc2c(cc1CN1CCC(CCC#N)CC1)O[C@@H](C)C2 ZINC000573251009 1038886889 /nfs/dbraw/zinc/88/68/89/1038886889.db2.gz PDTWRKYDQBKOBL-AWEZNQCLSA-N 0 3 314.429 3.534 20 30 DHEDHN Cc1ccccc1C1(NCc2cnc3ccc(C#N)cn23)CCC1 ZINC000593641920 1038933024 /nfs/dbraw/zinc/93/30/24/1038933024.db2.gz BITBHPBPRCEZPU-UHFFFAOYSA-N 0 3 316.408 3.683 20 30 DHEDHN COc1ccc(COCCN(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000591853697 1039034984 /nfs/dbraw/zinc/03/49/84/1039034984.db2.gz YTLKPLPHXOGNCQ-INIZCTEOSA-N 0 3 324.424 3.776 20 30 DHEDHN CCc1ccncc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000593679362 1039046808 /nfs/dbraw/zinc/04/68/08/1039046808.db2.gz CWRFIWXXQGFJIG-UHFFFAOYSA-N 0 3 320.440 3.592 20 30 DHEDHN CC(C)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000603554792 1039049230 /nfs/dbraw/zinc/04/92/30/1039049230.db2.gz QLLUYRCAKRACNY-UHFFFAOYSA-N 0 3 319.452 3.751 20 30 DHEDHN Cc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1C#N ZINC000599285372 1039110110 /nfs/dbraw/zinc/11/01/10/1039110110.db2.gz QTDPBUZAXPJLEG-HXUWFJFHSA-N 0 3 306.409 3.830 20 30 DHEDHN N#CC1(C[C@H](O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000599327236 1039122225 /nfs/dbraw/zinc/12/22/25/1039122225.db2.gz RAYDUTPKXBTUEJ-OALUTQOASA-N 0 3 324.399 3.559 20 30 DHEDHN CC(C)[C@@H](NCc1ccc(Cl)cc1C#N)C1(CO)CC=CC1 ZINC000592177053 1039159172 /nfs/dbraw/zinc/15/91/72/1039159172.db2.gz HTNSQDBLIYBPFV-QGZVFWFLSA-N 0 3 318.848 3.655 20 30 DHEDHN N#Cc1cccc(-c2nnc(CN3CCCC[C@@H]3C3CCC3)o2)c1 ZINC000592197175 1039180809 /nfs/dbraw/zinc/18/08/09/1039180809.db2.gz BVTDGCVAZKCFEP-QGZVFWFLSA-N 0 3 322.412 3.763 20 30 DHEDHN N#CCCCN1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000599515936 1039187193 /nfs/dbraw/zinc/18/71/93/1039187193.db2.gz ZCLVCEOLNAKFIA-UHFFFAOYSA-N 0 3 316.449 3.676 20 30 DHEDHN COc1cccc(C[C@@H]2CCCN2Cc2ccc(C#N)cc2F)c1 ZINC000603867999 1039203303 /nfs/dbraw/zinc/20/33/03/1039203303.db2.gz IDSZKXWGBVOLRL-SFHVURJKSA-N 0 3 324.399 3.913 20 30 DHEDHN Cc1ccccc1-c1cccc(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000592522162 1039224780 /nfs/dbraw/zinc/22/47/80/1039224780.db2.gz IMNGQKZZCNFCIV-FQEVSTJZSA-N 0 3 306.409 3.513 20 30 DHEDHN C=CCCCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000605149669 1039639695 /nfs/dbraw/zinc/63/96/95/1039639695.db2.gz ORUPWGPJJRAIIA-UHFFFAOYSA-N 0 3 312.379 3.789 20 30 DHEDHN C=CCN(CCCc1cncn1C)Cc1ccc(Cl)s1 ZINC000574462263 1039690880 /nfs/dbraw/zinc/69/08/80/1039690880.db2.gz CBZMXOMWSTUMPJ-UHFFFAOYSA-N 0 3 309.866 3.756 20 30 DHEDHN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000172020936 1039711165 /nfs/dbraw/zinc/71/11/65/1039711165.db2.gz ZQJFBPYRGSZPFH-CZUORRHYSA-N 0 3 308.381 3.779 20 30 DHEDHN CCCCC1CCC(CNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594431590 1039785818 /nfs/dbraw/zinc/78/58/18/1039785818.db2.gz OHFCGPSKSPNPKF-JCYILVPMSA-N 0 3 307.482 3.510 20 30 DHEDHN CC(C)(C)C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594427330 1039792706 /nfs/dbraw/zinc/79/27/06/1039792706.db2.gz IKGJQDDJNFDJFQ-DLBZAZTESA-N 0 3 315.461 3.691 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000594427958 1039794142 /nfs/dbraw/zinc/79/41/42/1039794142.db2.gz JZTCUJOGTDIMTA-GOSISDBHSA-N 0 3 322.412 3.780 20 30 DHEDHN COC[C@H](C)Oc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000594914445 1039924648 /nfs/dbraw/zinc/92/46/48/1039924648.db2.gz IMYVBFUBYABPCG-HOTGVXAUSA-N 0 3 324.424 3.823 20 30 DHEDHN COc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1OC ZINC000594920578 1039927387 /nfs/dbraw/zinc/92/73/87/1039927387.db2.gz FWMHHXFWJUARJK-UHFFFAOYSA-N 0 3 322.408 3.549 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)cc1OC(F)F)[C@@H]1CCCCO1 ZINC000594042142 1040008086 /nfs/dbraw/zinc/00/80/86/1040008086.db2.gz GWJFLNQYPNMFCU-GJZGRUSLSA-N 0 3 324.371 3.597 20 30 DHEDHN COc1cccc(CNCc2ccc(C3(C#N)CC3)cc2)c1C ZINC000594999193 1040014173 /nfs/dbraw/zinc/01/41/73/1040014173.db2.gz PQXQEMYIQSCQAF-UHFFFAOYSA-N 0 3 306.409 3.849 20 30 DHEDHN C[C@H](O)[C@@H](NCc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000595006615 1040017243 /nfs/dbraw/zinc/01/72/43/1040017243.db2.gz MDFFCVMKFMIKJA-HNAYVOBHSA-N 0 3 308.425 3.699 20 30 DHEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(C(F)F)nc1 ZINC000595046370 1040048560 /nfs/dbraw/zinc/04/85/60/1040048560.db2.gz QBHCYXLXHLIVLA-GFCCVEGCSA-N 0 3 301.340 3.936 20 30 DHEDHN C[C@@]1(c2ccccc2)CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000575062849 1040120582 /nfs/dbraw/zinc/12/05/82/1040120582.db2.gz BCDGCUJXIFOFMP-LJQANCHMSA-N 0 3 321.380 3.630 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](C)CC1 ZINC000063302562 1040187235 /nfs/dbraw/zinc/18/72/35/1040187235.db2.gz XGJZNXZJDWNJLV-JKSUJKDBSA-N 0 3 320.502 3.773 20 30 DHEDHN N#Cc1c(CN2CCC[C@H]([C@@H]3CCCCO3)C2)cn2ccccc12 ZINC000595788343 1040255757 /nfs/dbraw/zinc/25/57/57/1040255757.db2.gz JKAPEWKSNJPZQK-JXFKEZNVSA-N 0 3 323.440 3.592 20 30 DHEDHN CC(C)Nc1ccc(Cl)cc1NC(=O)[C@H](N)CCCCC#N ZINC000595963436 1040282464 /nfs/dbraw/zinc/28/24/64/1040282464.db2.gz SCXIQPHAJIWBSV-CYBMUJFWSA-N 0 3 322.840 3.510 20 30 DHEDHN CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000595963437 1040284301 /nfs/dbraw/zinc/28/43/01/1040284301.db2.gz SCXIQPHAJIWBSV-ZDUSSCGKSA-N 0 3 322.840 3.510 20 30 DHEDHN COc1ccc(CN(Cc2cccc(C#N)n2)[C@@H](C)C2CC2)cc1 ZINC000602437755 1041030991 /nfs/dbraw/zinc/03/09/91/1041030991.db2.gz XLJLIVYJVCRONA-HNNXBMFYSA-N 0 3 321.424 3.763 20 30 DHEDHN C[C@H](CCC#N)CN(C)Cc1cc(Br)ccc1F ZINC000602439981 1041033749 /nfs/dbraw/zinc/03/37/49/1041033749.db2.gz IFHJKINPGGHPAI-LLVKDONJSA-N 0 3 313.214 3.960 20 30 DHEDHN Cc1cc(N=NC2CN(Cc3ccccc3)C(C)(C)C2)nc(C)n1 ZINC000761262644 1041044362 /nfs/dbraw/zinc/04/43/62/1041044362.db2.gz ZJCLDVJQUOUOPE-UHFFFAOYSA-N 0 3 323.444 3.546 20 30 DHEDHN Cc1ccc2oc(CN[C@H](C)CC3(C#N)CCOCC3)cc2c1 ZINC000602711559 1041172748 /nfs/dbraw/zinc/17/27/48/1041172748.db2.gz QKSAWHGOWHKLAG-OAHLLOKOSA-N 0 3 312.413 3.930 20 30 DHEDHN COc1ccc(CN2CCC(C)(F)CC2)cc1OCCCC#N ZINC000602741274 1041174966 /nfs/dbraw/zinc/17/49/66/1041174966.db2.gz HNOPYDUSSYVIMP-UHFFFAOYSA-N 0 3 320.408 3.702 20 30 DHEDHN N#CCC1(CN2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000602759747 1041192598 /nfs/dbraw/zinc/19/25/98/1041192598.db2.gz NOLYJCCKPZRMPR-UHFFFAOYSA-N 0 3 317.864 3.542 20 30 DHEDHN CC(C)(NCc1cccc2c1CCOC2)c1cccc(C#N)c1 ZINC000602880361 1041284686 /nfs/dbraw/zinc/28/46/86/1041284686.db2.gz QEDVYBGOKLHITM-UHFFFAOYSA-N 0 3 306.409 3.656 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1ccccc1Cl ZINC000598586206 1041348276 /nfs/dbraw/zinc/34/82/76/1041348276.db2.gz QGABJMOVEINLAD-CZUORRHYSA-N 0 3 306.837 3.778 20 30 DHEDHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CC(C)(C)C#N ZINC000598589454 1041351382 /nfs/dbraw/zinc/35/13/82/1041351382.db2.gz OCBSHSDJYXVPSX-GFCCVEGCSA-N 0 3 315.244 3.726 20 30 DHEDHN CCC(CC)[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000272244297 535129990 /nfs/dbraw/zinc/12/99/90/535129990.db2.gz HHUGHVJCQMLJRO-AEFFLSMTSA-N 0 3 304.409 3.771 20 30 DHEDHN C#CCCOc1ccc(CN(CC)CCc2nccs2)cc1 ZINC000093764597 335004986 /nfs/dbraw/zinc/00/49/86/335004986.db2.gz AUXDHXKTOSVICE-UHFFFAOYSA-N 0 3 314.454 3.610 20 30 DHEDHN C=C(C)CCc1noc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000285245970 335022447 /nfs/dbraw/zinc/02/24/47/335022447.db2.gz WQECUTIFENVXDA-UHFFFAOYSA-N 0 3 311.429 3.958 20 30 DHEDHN C=CCC[C@H](NC[C@@H](O)c1ccccc1OC)c1ccco1 ZINC000285980819 335031464 /nfs/dbraw/zinc/03/14/64/335031464.db2.gz HPFBXMUTMDEFOE-JKSUJKDBSA-N 0 3 301.386 3.619 20 30 DHEDHN N#C[C@H]1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000442708622 335034431 /nfs/dbraw/zinc/03/44/31/335034431.db2.gz JXKQRXFSWDIZOE-BBRMVZONSA-N 0 3 311.360 3.795 20 30 DHEDHN C=CCCCCCCCCNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000288529655 335056084 /nfs/dbraw/zinc/05/60/84/335056084.db2.gz VPNIVWLUGXJPFE-UHFFFAOYSA-N 0 3 305.466 3.723 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000289279417 335061459 /nfs/dbraw/zinc/06/14/59/335061459.db2.gz OLSXBWBGMZQIKO-UHFFFAOYSA-N 0 3 306.409 3.552 20 30 DHEDHN N#Cc1cccc(C2(NC3CCN(c4ccccc4)CC3)CC2)c1 ZINC000272208274 130006686 /nfs/dbraw/zinc/00/66/86/130006686.db2.gz KDQNTLOAHXGRJD-UHFFFAOYSA-N 0 3 317.436 3.806 20 30 DHEDHN C[C@@H](NCC[C@@](C)(O)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000275125695 130294276 /nfs/dbraw/zinc/29/42/76/130294276.db2.gz MIJKQSOSODROOV-AUUYWEPGSA-N 0 3 312.388 3.646 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)o1 ZINC000285449902 131169586 /nfs/dbraw/zinc/16/95/86/131169586.db2.gz ITQWZMVDCZMFHO-DLBZAZTESA-N 0 3 318.323 3.519 20 30 DHEDHN COc1cc(CNCc2ccc(CSC)cc2)ccc1C#N ZINC000285457711 131170450 /nfs/dbraw/zinc/17/04/50/131170450.db2.gz JLXWZFDRMAQPNX-UHFFFAOYSA-N 0 3 312.438 3.720 20 30 DHEDHN CC1(C)CN(C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000287122854 131265585 /nfs/dbraw/zinc/26/55/85/131265585.db2.gz ZINMNTMZYFYULJ-NVXWUHKLSA-N 0 3 312.438 3.736 20 30 DHEDHN Cc1ccccc1NC(=O)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000298407944 132061088 /nfs/dbraw/zinc/06/10/88/132061088.db2.gz LXEITDIODTZBKD-HOTGVXAUSA-N 0 3 321.424 3.935 20 30 DHEDHN C#Cc1ccc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000290469007 335071646 /nfs/dbraw/zinc/07/16/46/335071646.db2.gz UPSPQSZHZQFUMG-TZIWHRDSSA-N 0 3 305.421 3.925 20 30 DHEDHN C=CCC[C@H](NCc1cnc([C@H](C)O)s1)c1ccccc1 ZINC000290546790 335072631 /nfs/dbraw/zinc/07/26/31/335072631.db2.gz YXCADGXOFOYGDL-BBRMVZONSA-N 0 3 302.443 3.994 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000292181017 335086127 /nfs/dbraw/zinc/08/61/27/335086127.db2.gz HDTQUZVMSCEOMB-HNNXBMFYSA-N 0 3 320.502 3.679 20 30 DHEDHN N#Cc1cc(NC[C@H]2CCN2C2CCCC2)nc2ccccc12 ZINC000528210409 429862003 /nfs/dbraw/zinc/86/20/03/429862003.db2.gz PDYPMJYYKXFGHB-MRXNPFEDSA-N 0 3 306.413 3.535 20 30 DHEDHN COc1ccc(CNCc2cccs2)cc1OCCCC#N ZINC000064613584 331832668 /nfs/dbraw/zinc/83/26/68/331832668.db2.gz SEGCNWZKVWBZFS-UHFFFAOYSA-N 0 3 316.426 3.729 20 30 DHEDHN CCc1ccc([C@@H](CNc2ccc(F)cc2C#N)N(C)C)cc1 ZINC000558063567 331848961 /nfs/dbraw/zinc/84/89/61/331848961.db2.gz XHXVMZSMERLDLV-LJQANCHMSA-N 0 3 311.404 3.975 20 30 DHEDHN C=CCC(C)(C)CNCc1c(Cl)cccc1N1CCOCC1 ZINC000559307987 332021552 /nfs/dbraw/zinc/02/15/52/332021552.db2.gz MTLGNJAFXQGFRM-UHFFFAOYSA-N 0 3 322.880 3.869 20 30 DHEDHN C=CC[C@@H](CO)N[C@H](CC)c1cc(F)cc(Br)c1 ZINC000186692892 332941189 /nfs/dbraw/zinc/94/11/89/332941189.db2.gz YEICHEJKOPLDHA-UONOGXRCSA-N 0 3 316.214 3.566 20 30 DHEDHN C=CCC[C@@H](C(=O)N1CCCN(C(C)C)CC1)c1ccccc1 ZINC000427130702 332168449 /nfs/dbraw/zinc/16/84/49/332168449.db2.gz KYUVEIKCMSVIJX-LJQANCHMSA-N 0 3 314.473 3.679 20 30 DHEDHN C#CCCOc1ccc(CNC2(c3cccc(OC)c3)CC2)cc1 ZINC000150897559 332196363 /nfs/dbraw/zinc/19/63/63/332196363.db2.gz VZPXRNMVLUQQEV-UHFFFAOYSA-N 0 3 321.420 3.876 20 30 DHEDHN COCCOCCN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363712336 332227150 /nfs/dbraw/zinc/22/71/50/332227150.db2.gz LFXVKOFIYPITSM-INIZCTEOSA-N 0 3 324.424 3.539 20 30 DHEDHN COc1ccc(OCCN(Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000559432417 332258538 /nfs/dbraw/zinc/25/85/38/332258538.db2.gz SECLWSYDYNJAKR-UHFFFAOYSA-N 0 3 324.424 3.856 20 30 DHEDHN C=CCc1cc(CNCc2cc(C)cs2)cc(OC)c1O ZINC000449477394 332262184 /nfs/dbraw/zinc/26/21/84/332262184.db2.gz IAIZIXPLRASTHF-UHFFFAOYSA-N 0 3 303.427 3.789 20 30 DHEDHN C=CCCCCN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000560218077 332320078 /nfs/dbraw/zinc/32/00/78/332320078.db2.gz DRNROAOKMIECGL-GOSISDBHSA-N 0 3 301.409 3.937 20 30 DHEDHN C[C@H](N[C@@H](CO)C1CCCCC1)c1ccc(C#N)cc1Cl ZINC000583359326 332350986 /nfs/dbraw/zinc/35/09/86/332350986.db2.gz RCEKVZTWXNNASQ-SJCJKPOMSA-N 0 3 306.837 3.803 20 30 DHEDHN C=CCC[C@@H](NCCCc1c(C)nn(C)c1C)c1ccco1 ZINC000560544189 332357309 /nfs/dbraw/zinc/35/73/09/332357309.db2.gz GVIDYDZUXPLVHB-QGZVFWFLSA-N 0 3 301.434 3.860 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000119371686 332370503 /nfs/dbraw/zinc/37/05/03/332370503.db2.gz DIUQZEAUAHAGDK-GOSISDBHSA-N 0 3 309.413 3.797 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](OC)c1ccccc1 ZINC000560984534 332399393 /nfs/dbraw/zinc/39/93/93/332399393.db2.gz XPOZQMGORFEALA-FQEVSTJZSA-N 0 3 306.409 3.934 20 30 DHEDHN N#Cc1cccc(OCCNC2(c3ccc(Cl)cc3)CC2)c1 ZINC000561156766 332417688 /nfs/dbraw/zinc/41/76/88/332417688.db2.gz FMZIEYMQBBRPGQ-UHFFFAOYSA-N 0 3 312.800 3.869 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000150746517 332417830 /nfs/dbraw/zinc/41/78/30/332417830.db2.gz JKJHMRCUUFOZLI-WMZOPIPTSA-N 0 3 321.509 3.637 20 30 DHEDHN C=CCC(C)(C)CN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000569631584 332489480 /nfs/dbraw/zinc/48/94/80/332489480.db2.gz FQDYFQDSDQHNHA-KRWDZBQOSA-N 0 3 301.409 3.841 20 30 DHEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000248541571 332606846 /nfs/dbraw/zinc/60/68/46/332606846.db2.gz BYJCDAFXWWNZDM-PMUMKWKESA-N 0 3 301.409 3.839 20 30 DHEDHN COc1cc2c(c(CN3CCC(CCC#N)CC3)c1)O[C@@H](C)C2 ZINC000569694846 332661615 /nfs/dbraw/zinc/66/16/15/332661615.db2.gz WDKXLLLQSWQGNW-AWEZNQCLSA-N 0 3 314.429 3.534 20 30 DHEDHN C=C(C)COCCN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000180946500 333029083 /nfs/dbraw/zinc/02/90/83/333029083.db2.gz XDLDJUVFGGDBFS-HXUWFJFHSA-N 0 3 311.425 3.967 20 30 DHEDHN CC1(C)Cc2cc(CNCc3ccc(OCC#N)cc3)ccc2O1 ZINC000171769075 333054369 /nfs/dbraw/zinc/05/43/69/333054369.db2.gz COONYAPTKLEDBK-UHFFFAOYSA-N 0 3 322.408 3.592 20 30 DHEDHN COc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000171768499 333054445 /nfs/dbraw/zinc/05/44/45/333054445.db2.gz SWLXYHHMPICROS-CYBMUJFWSA-N 0 3 314.360 3.587 20 30 DHEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1ccc2c(c1)CCO2 ZINC000180549053 333162875 /nfs/dbraw/zinc/16/28/75/333162875.db2.gz FTIZURLHNSQJHU-IBGZPJMESA-N 0 3 322.408 3.765 20 30 DHEDHN CCc1nc(C)c([C@H](C)NCc2ccc(OCC#N)cc2)s1 ZINC000180547715 333162958 /nfs/dbraw/zinc/16/29/58/333162958.db2.gz JBPAWYLRLRGYNL-LBPRGKRZSA-N 0 3 315.442 3.767 20 30 DHEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(N(C)C)cc1 ZINC000180554241 333163133 /nfs/dbraw/zinc/16/31/33/333163133.db2.gz UUKSJIFCUIKJAF-HNNXBMFYSA-N 0 3 309.413 3.506 20 30 DHEDHN N#CCOc1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000180558827 333163172 /nfs/dbraw/zinc/16/31/72/333163172.db2.gz OHYWMQFQGOOIOV-IBGZPJMESA-N 0 3 324.449 3.709 20 30 DHEDHN COc1ccc([C@@H](C)NCCCCC#N)c(Br)c1 ZINC000181683020 333171336 /nfs/dbraw/zinc/17/13/36/333171336.db2.gz MQXBQRSKGRAXOA-LLVKDONJSA-N 0 3 311.223 3.802 20 30 DHEDHN C[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000182009304 333174415 /nfs/dbraw/zinc/17/44/15/333174415.db2.gz ZJQYLAKAPRFWSV-JTDSTZFVSA-N 0 3 316.445 3.835 20 30 DHEDHN C[C@@H](c1ccccn1)N(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000182066072 333175362 /nfs/dbraw/zinc/17/53/62/333175362.db2.gz LHSIMIMWXWRYRQ-INIZCTEOSA-N 0 3 308.429 3.624 20 30 DHEDHN C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CN1C1CC1 ZINC000387908911 333184809 /nfs/dbraw/zinc/18/48/09/333184809.db2.gz RLRKKHNDJMCFFY-MFKMUULPSA-N 0 3 309.335 3.614 20 30 DHEDHN C[C@@H](c1ccncc1)N(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000183714250 333187211 /nfs/dbraw/zinc/18/72/11/333187211.db2.gz NMDCCQKRQWFSOZ-INIZCTEOSA-N 0 3 308.429 3.624 20 30 DHEDHN C[C@H](CN(C)Cc1ccccc1)Nc1nccc(C#N)c1Cl ZINC000309714773 333191433 /nfs/dbraw/zinc/19/14/33/333191433.db2.gz KKEGAJWHAOBIMX-CYBMUJFWSA-N 0 3 314.820 3.539 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000185766533 333213813 /nfs/dbraw/zinc/21/38/13/333213813.db2.gz TYZRVXLRVMBAMP-KBPBESRZSA-N 0 3 312.335 3.800 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000185780269 333214028 /nfs/dbraw/zinc/21/40/28/333214028.db2.gz CLZRAZBHSRXAOO-OCCSQVGLSA-N 0 3 312.335 3.800 20 30 DHEDHN Cc1cc(C)n(-c2ccccc2CN[C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000185856090 333215056 /nfs/dbraw/zinc/21/50/56/333215056.db2.gz RAYTWHYFDCCSPG-SJLPKXTDSA-N 0 3 308.429 3.661 20 30 DHEDHN CN(c1ccc(C#N)cc1F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388176963 333217060 /nfs/dbraw/zinc/21/70/60/333217060.db2.gz LUVMKJXBSAWDTH-GOSISDBHSA-N 0 3 323.415 3.798 20 30 DHEDHN C=C(C)COCCN[C@H]1CCc2sc(Br)cc21 ZINC000310136321 333220683 /nfs/dbraw/zinc/22/06/83/333220683.db2.gz ZLUBUEYCOLWJKS-NSHDSACASA-N 0 3 316.264 3.680 20 30 DHEDHN CCN(C[C@H](C)C#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000497255275 333227865 /nfs/dbraw/zinc/22/78/65/333227865.db2.gz WZJXTOVCSBINNJ-BZUAXINKSA-N 0 3 323.481 3.504 20 30 DHEDHN C=CC(C)(C)C(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000294865963 335128690 /nfs/dbraw/zinc/12/86/90/335128690.db2.gz GREYZNLNUWBUJP-SFHVURJKSA-N 0 3 314.473 3.569 20 30 DHEDHN C=CC[C@@H](C)NCc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000525759611 333239203 /nfs/dbraw/zinc/23/92/03/333239203.db2.gz BODDVZXGPFOSPS-CJNGLKHVSA-N 0 3 309.837 3.952 20 30 DHEDHN C[C@H](NCCOc1ccccc1C#N)c1ccccc1Cl ZINC000497605620 333268064 /nfs/dbraw/zinc/26/80/64/333268064.db2.gz MUNWYSHLETYBFD-ZDUSSCGKSA-N 0 3 300.789 3.941 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000497619233 333270485 /nfs/dbraw/zinc/27/04/85/333270485.db2.gz JGRQWCPCDLWTIU-SFHVURJKSA-N 0 3 310.372 3.913 20 30 DHEDHN C[C@H](NCCCCC#N)c1nnc(-c2cccc(F)c2)s1 ZINC000364330870 333288991 /nfs/dbraw/zinc/28/89/91/333288991.db2.gz WOHUVJPSEJSWMX-NSHDSACASA-N 0 3 304.394 3.689 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2cc(F)cc(Br)c2)C1 ZINC000192709601 333291746 /nfs/dbraw/zinc/29/17/46/333291746.db2.gz XPKXELMQKHQBLT-IINYFYTJSA-N 0 3 311.198 3.760 20 30 DHEDHN C=CCC[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccco1 ZINC000364969232 333333539 /nfs/dbraw/zinc/33/35/39/333333539.db2.gz IBZHHPWEMPGPQZ-GOEBONIOSA-N 0 3 315.392 3.690 20 30 DHEDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC1(CC#N)CC1 ZINC000430740782 335134464 /nfs/dbraw/zinc/13/44/64/335134464.db2.gz KWKDOYHDAITHLH-CYBMUJFWSA-N 0 3 319.430 3.749 20 30 DHEDHN C=C(C)COc1cc(CN[C@@H]2C[C@H](OC)C2(C)C)ccc1OC ZINC000531479529 333414601 /nfs/dbraw/zinc/41/46/01/333414601.db2.gz SUNIRSVVEHOTMY-MSOLQXFVSA-N 0 3 319.445 3.553 20 30 DHEDHN C=CCN(Cc1ccccc1C(=O)N(C)C)CC1CCCCC1 ZINC000417777111 335142039 /nfs/dbraw/zinc/14/20/39/335142039.db2.gz QVOKHYGXYQBBGX-UHFFFAOYSA-N 0 3 314.473 3.957 20 30 DHEDHN C=CCC[C@H](CC)NCc1nnc(-c2ccncc2F)s1 ZINC000366251836 333507419 /nfs/dbraw/zinc/50/74/19/333507419.db2.gz QLMSZXZKUDSDBW-NSHDSACASA-N 0 3 306.410 3.574 20 30 DHEDHN Cc1cccc(OCCNCc2cccc(OCCCC#N)c2)c1 ZINC000066989889 335144895 /nfs/dbraw/zinc/14/48/95/335144895.db2.gz XBJKGVXWEHFIJK-UHFFFAOYSA-N 0 3 324.424 3.846 20 30 DHEDHN CCCN(CCC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411163305 333639062 /nfs/dbraw/zinc/63/90/62/333639062.db2.gz FBKOCVXSVPDFSR-GFCCVEGCSA-N 0 3 319.474 3.557 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412319668 333746995 /nfs/dbraw/zinc/74/69/95/333746995.db2.gz UFWFAMVEWPCYSO-GOSISDBHSA-N 0 3 300.446 3.757 20 30 DHEDHN CC(C)(CC#N)CN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000414169460 333907103 /nfs/dbraw/zinc/90/71/03/333907103.db2.gz RUPUNLZUIGBBAB-PBHICJAKSA-N 0 3 304.409 3.823 20 30 DHEDHN CC(C)(CC#N)CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000414166264 333916380 /nfs/dbraw/zinc/91/63/80/333916380.db2.gz NDXLDMKKFSCYOH-KRWDZBQOSA-N 0 3 308.429 3.779 20 30 DHEDHN C=C(C)COc1cc(CN(C)CC[C@H]2CCCO2)ccc1OC ZINC000343477602 335168469 /nfs/dbraw/zinc/16/84/69/335168469.db2.gz WPUSUZUKELHASP-QGZVFWFLSA-N 0 3 319.445 3.651 20 30 DHEDHN C=CCOc1ccccc1CN1CC2(CCOCC2)[C@H]1C(C)C ZINC000414527967 334008577 /nfs/dbraw/zinc/00/85/77/334008577.db2.gz NMKIZJODINBNMM-LJQANCHMSA-N 0 3 315.457 3.888 20 30 DHEDHN C=CCOc1ccccc1CN1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414527966 334008583 /nfs/dbraw/zinc/00/85/83/334008583.db2.gz NMKIZJODINBNMM-IBGZPJMESA-N 0 3 315.457 3.888 20 30 DHEDHN Cc1cc(C)cc([C@@H](O)CN[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000271878829 334027949 /nfs/dbraw/zinc/02/79/49/334027949.db2.gz YJKRARJJMBIGAF-UZLBHIALSA-N 0 3 324.424 3.590 20 30 DHEDHN CCOc1ccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)cc1OCC ZINC000274648304 334064616 /nfs/dbraw/zinc/06/46/16/334064616.db2.gz SHQWFDORIMYOFE-LZWOXQAQSA-N 0 3 302.418 3.827 20 30 DHEDHN CCN(CC)[C@H](CNc1nccc(C)c1C#N)c1ccsc1 ZINC000343509935 335172969 /nfs/dbraw/zinc/17/29/69/335172969.db2.gz KLOAKFJJNVEVRO-MRXNPFEDSA-N 0 3 314.458 3.818 20 30 DHEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(Br)cn1 ZINC000279818237 334112019 /nfs/dbraw/zinc/11/20/19/334112019.db2.gz PDGQGMSGRJBLLI-GVXVVHGQSA-N 0 3 308.223 3.577 20 30 DHEDHN CC1(C)CCC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280107272 334114240 /nfs/dbraw/zinc/11/42/40/334114240.db2.gz PHXJFYBEJVNXKR-SFHVURJKSA-N 0 3 323.440 3.573 20 30 DHEDHN N#CCCCCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280725439 334119503 /nfs/dbraw/zinc/11/95/03/334119503.db2.gz KPPARFMPGJBBBK-CYBMUJFWSA-N 0 3 320.742 3.676 20 30 DHEDHN CCCCCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280872323 334120813 /nfs/dbraw/zinc/12/08/13/334120813.db2.gz RHLZPUSYVGWFJX-MAUKXSAKSA-N 0 3 311.429 3.716 20 30 DHEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000282061371 334131017 /nfs/dbraw/zinc/13/10/17/334131017.db2.gz SFHNDKBLWIJFCT-CYBMUJFWSA-N 0 3 308.372 3.716 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000284531175 334143844 /nfs/dbraw/zinc/14/38/44/334143844.db2.gz ZZSUIPRUTGOSJD-ONERCXAPSA-N 0 3 320.234 3.577 20 30 DHEDHN N#CCC[C@H](N[C@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000287695729 334158343 /nfs/dbraw/zinc/15/83/43/334158343.db2.gz NIQKDVBIVYKCNU-KKUMJFAQSA-N 0 3 312.335 3.731 20 30 DHEDHN CCC(CC)c1cc(CNC(=N)Nc2cc(F)ccc2F)on1 ZINC000288674028 334161799 /nfs/dbraw/zinc/16/17/99/334161799.db2.gz HWHPWOXHXYVDPD-UHFFFAOYSA-N 0 3 322.359 3.783 20 30 DHEDHN CC(C)OC(=O)C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000290388990 334172582 /nfs/dbraw/zinc/17/25/82/334172582.db2.gz IPYZYIPIHDJVHB-NJAFHUGGSA-N 0 3 314.429 3.741 20 30 DHEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Br)cc1F ZINC000290406314 334172717 /nfs/dbraw/zinc/17/27/17/334172717.db2.gz TYBLGLDHURPYCI-FOGDFJRCSA-N 0 3 311.198 3.931 20 30 DHEDHN C=CC[C@H](CC)NCc1cc(O)c(OC)cc1Br ZINC000343595522 335180605 /nfs/dbraw/zinc/18/06/05/335180605.db2.gz BNZFJMJSXOUDOQ-NSHDSACASA-N 0 3 314.223 3.608 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000292773423 334192211 /nfs/dbraw/zinc/19/22/11/334192211.db2.gz KSIOCELCONXOKA-DLBZAZTESA-N 0 3 319.399 3.514 20 30 DHEDHN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)CCOCCC#N ZINC000293548252 334198997 /nfs/dbraw/zinc/19/89/97/334198997.db2.gz RABCKTMBPKPMOC-LBPRGKRZSA-N 0 3 300.324 3.628 20 30 DHEDHN C[C@H](c1ccccc1)[N@H+](CCOCCC#N)Cc1ccccc1[O-] ZINC000293748327 334201980 /nfs/dbraw/zinc/20/19/80/334201980.db2.gz IKTALDSWPAXUFP-QGZVFWFLSA-N 0 3 324.424 3.886 20 30 DHEDHN C[C@H](c1ccccc1)[N@@H+](CCOCCC#N)Cc1ccccc1[O-] ZINC000293748327 334201981 /nfs/dbraw/zinc/20/19/81/334201981.db2.gz IKTALDSWPAXUFP-QGZVFWFLSA-N 0 3 324.424 3.886 20 30 DHEDHN Cc1c(Cl)cccc1N1CCCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000294026699 334204835 /nfs/dbraw/zinc/20/48/35/334204835.db2.gz HSVSYGHJXNKBCQ-JKSUJKDBSA-N 0 3 317.864 3.853 20 30 DHEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(F)cc2Br)C1 ZINC000294916620 334214307 /nfs/dbraw/zinc/21/43/07/334214307.db2.gz ANJHXSUOCDFUMK-GWCFXTLKSA-N 0 3 311.198 3.760 20 30 DHEDHN CCc1nc2ccccc2n1C1CCN([C@H](C)CCC#N)CC1 ZINC000299733732 334257761 /nfs/dbraw/zinc/25/77/61/334257761.db2.gz YYTMPQCCKLTYAM-OAHLLOKOSA-N 0 3 310.445 3.928 20 30 DHEDHN COC(=O)c1cccc(CNC(C)(C)CC(C)(C)C)c1C#N ZINC000534471378 334268599 /nfs/dbraw/zinc/26/85/99/334268599.db2.gz IGZXVIDNKKGWGQ-UHFFFAOYSA-N 0 3 302.418 3.649 20 30 DHEDHN CC(C)N(CCCOc1cccc(C#N)c1)Cc1ccccn1 ZINC000531911840 334286732 /nfs/dbraw/zinc/28/67/32/334286732.db2.gz UYMINBIANUZYGT-UHFFFAOYSA-N 0 3 309.413 3.633 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)ccc2Cl)CC1 ZINC000120636525 334334045 /nfs/dbraw/zinc/33/40/45/334334045.db2.gz REAGFAHDMHYFPO-UHFFFAOYSA-N 0 3 321.852 3.810 20 30 DHEDHN CC(=O)Nc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341651575 334469069 /nfs/dbraw/zinc/46/90/69/334469069.db2.gz BMHMRNYFEGTHGU-HXUWFJFHSA-N 0 3 319.408 3.684 20 30 DHEDHN COc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cc(OC)c1 ZINC000341759316 334477749 /nfs/dbraw/zinc/47/77/49/334477749.db2.gz TXSBAEURTOYROX-FQEVSTJZSA-N 0 3 322.408 3.743 20 30 DHEDHN COCC1(C#N)CCN(Cc2cc3ccccc3s2)CC1 ZINC000342002293 334500108 /nfs/dbraw/zinc/50/01/08/334500108.db2.gz XIGALNBXCPYHLX-UHFFFAOYSA-N 0 3 300.427 3.653 20 30 DHEDHN CNCc1ccccc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000415912251 334627874 /nfs/dbraw/zinc/62/78/74/334627874.db2.gz KZWCQRKTCQIOTE-KRWDZBQOSA-N 0 3 322.412 3.573 20 30 DHEDHN Cc1cccc(NC(=O)[C@@H](C)N[C@@H]2CCC(=O)NC23CCC3)c1 ZINC000328721785 334748358 /nfs/dbraw/zinc/74/83/58/334748358.db2.gz XCFUXLTZYFTTRV-UKRRQHHQSA-N 0 3 315.417 3.603 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N2CCC(NC(=O)C3CCCCC3)CC2)C1 ZINC000328866264 334761637 /nfs/dbraw/zinc/76/16/37/334761637.db2.gz WQLOWZILBIUSOQ-RHSMWYFYSA-N 0 3 303.450 3.680 20 30 DHEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CCCC[C@H]2C(C)C)c(C#N)c1C ZINC000330863434 334816408 /nfs/dbraw/zinc/81/64/08/334816408.db2.gz ARCIUUCXSMCKEQ-GOEBONIOSA-N 0 3 317.433 3.511 20 30 DHEDHN COc1ccc([C@H](OC)[C@@H](C)NCc2ccc(C#N)c(C)c2)cc1 ZINC000444001407 338466505 /nfs/dbraw/zinc/46/65/05/338466505.db2.gz YHDMFQUFRGRZFR-FOIQADDNSA-N 0 3 324.424 3.741 20 30 DHEDHN CC(C)(C)OC(=O)C1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444611581 338476628 /nfs/dbraw/zinc/47/66/28/338476628.db2.gz QSSDPJHDUKMBHE-UHFFFAOYSA-N 0 3 308.466 3.760 20 30 DHEDHN COc1ccc(CNCC(C)(C)CCC#N)c(OC(F)F)c1 ZINC000344477761 335252100 /nfs/dbraw/zinc/25/21/00/335252100.db2.gz IIFPTSYZPQOGEN-UHFFFAOYSA-N 0 3 312.360 3.716 20 30 DHEDHN C[C@H](N[C@@H]1CCCC[C@H]1n1cccn1)c1ccc(C#N)c(F)c1 ZINC000346149330 335382137 /nfs/dbraw/zinc/38/21/37/335382137.db2.gz DFISKSCEFIKJEA-MORSLUCNSA-N 0 3 312.392 3.728 20 30 DHEDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C12CCC2 ZINC000346203853 335390122 /nfs/dbraw/zinc/39/01/22/335390122.db2.gz RVEZNXRJTAVKPC-OAUYIBNBSA-N 0 3 302.393 3.696 20 30 DHEDHN C=CCCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000536560969 335838738 /nfs/dbraw/zinc/83/87/38/335838738.db2.gz HZDCHFRRQDKWAM-UHFFFAOYSA-N 0 3 313.272 3.730 20 30 DHEDHN C=C(C)CCc1noc([C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000351620319 336051420 /nfs/dbraw/zinc/05/14/20/336051420.db2.gz OTRUJVFDIHXMOY-KRWDZBQOSA-N 0 3 311.429 3.958 20 30 DHEDHN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1n1cccn1)N1CCCCCC1 ZINC000329962556 336100417 /nfs/dbraw/zinc/10/04/17/336100417.db2.gz SDVPRLDBQBQTPW-BRWVUGGUSA-N 0 3 318.465 3.588 20 30 DHEDHN CC(C)(C)c1ccccc1NC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000330257132 336130521 /nfs/dbraw/zinc/13/05/21/336130521.db2.gz LFEOEELVUGTSMW-WMZOPIPTSA-N 0 3 316.445 3.729 20 30 DHEDHN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCCN1C1CCCC1 ZINC000330299256 336137858 /nfs/dbraw/zinc/13/78/58/336137858.db2.gz MEXZJAUHIUZSCE-OAHLLOKOSA-N 0 3 316.401 3.800 20 30 DHEDHN NC(=O)C1(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CCCC1 ZINC000330316290 336152993 /nfs/dbraw/zinc/15/29/93/336152993.db2.gz ZFSYTNKZJQSBKJ-HNNXBMFYSA-N 0 3 321.465 3.836 20 30 DHEDHN COc1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000194351811 338515931 /nfs/dbraw/zinc/51/59/31/338515931.db2.gz DMBVRFLYDJQWJT-KBPBESRZSA-N 0 3 310.397 3.987 20 30 DHEDHN CCc1ccc(CNCCSCc2ccccc2C#N)cn1 ZINC000352245274 336206416 /nfs/dbraw/zinc/20/64/16/336206416.db2.gz GCCBEHLIIRKOKX-UHFFFAOYSA-N 0 3 311.454 3.539 20 30 DHEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000064350163 336237652 /nfs/dbraw/zinc/23/76/52/336237652.db2.gz HFQNVTVOZWCAIM-UHFFFAOYSA-N 0 3 309.369 3.877 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000192750080 336260377 /nfs/dbraw/zinc/26/03/77/336260377.db2.gz HPXJLXPRYIHMPA-NVXWUHKLSA-N 0 3 323.396 3.704 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000192750094 336260416 /nfs/dbraw/zinc/26/04/16/336260416.db2.gz HPXJLXPRYIHMPA-WBVHZDCISA-N 0 3 323.396 3.704 20 30 DHEDHN CC(C)C[C@H]1OCCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000481757113 336279163 /nfs/dbraw/zinc/27/91/63/336279163.db2.gz PNOFUHIFAJRNNT-QZTJIDSGSA-N 0 3 305.849 3.875 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000481757144 336279238 /nfs/dbraw/zinc/27/92/38/336279238.db2.gz PNOFUHIFAJRNNT-ROUUACIJSA-N 0 3 305.849 3.875 20 30 DHEDHN C[C@@H](NC[C@@H](c1ccco1)N1CCCC1)c1cccc(C#N)c1 ZINC000192935613 336285210 /nfs/dbraw/zinc/28/52/10/336285210.db2.gz GMHGSSBMQWILJK-QAPCUYQASA-N 0 3 309.413 3.639 20 30 DHEDHN N#Cc1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000301113677 336290570 /nfs/dbraw/zinc/29/05/70/336290570.db2.gz WMDSYQNZNLBAHG-UHFFFAOYSA-N 0 3 309.388 3.774 20 30 DHEDHN N#Cc1ccc(NC[C@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000301156840 336292425 /nfs/dbraw/zinc/29/24/25/336292425.db2.gz RUCHCHDPBPPEPE-LJQANCHMSA-N 0 3 309.388 3.946 20 30 DHEDHN N#Cc1ccc(N2CCN(C3CCCCC3)CC2)cc1Cl ZINC000301372213 336303098 /nfs/dbraw/zinc/30/30/98/336303098.db2.gz TZXPGFPCSIPZFV-UHFFFAOYSA-N 0 3 303.837 3.666 20 30 DHEDHN Cc1ccc([C@H](CNc2ccc(C#N)nc2)N2CCCC2)cc1 ZINC000301534976 336313137 /nfs/dbraw/zinc/31/31/37/336313137.db2.gz SYFPJDOSUDLTFX-IBGZPJMESA-N 0 3 306.413 3.511 20 30 DHEDHN N#Cc1cccc(CN(C[C@H]2CCCO2)C2CCCC2)c1F ZINC000352885739 336330941 /nfs/dbraw/zinc/33/09/41/336330941.db2.gz DCKSVLVAIIHAMG-QGZVFWFLSA-N 0 3 302.393 3.621 20 30 DHEDHN CN(C)[C@H](CNc1ccc2cc(C#N)ccc2n1)c1cccs1 ZINC000301833292 336332960 /nfs/dbraw/zinc/33/29/60/336332960.db2.gz UTPUEHZVTVHJLD-MRXNPFEDSA-N 0 3 322.437 3.883 20 30 DHEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000302095378 336348191 /nfs/dbraw/zinc/34/81/91/336348191.db2.gz IUTGVWKVPUISJS-FQEVSTJZSA-N 0 3 321.424 3.784 20 30 DHEDHN Cc1cc(F)cc2c1ncc(C#N)c2NCCN1CC=C(C)CC1 ZINC000302155067 336351178 /nfs/dbraw/zinc/35/11/78/336351178.db2.gz NBGCXAPHINJSJA-UHFFFAOYSA-N 0 3 324.403 3.618 20 30 DHEDHN CCc1ccc([C@H](CNc2ccc(C)c(C#N)n2)N(C)C)cc1 ZINC000302705961 336365845 /nfs/dbraw/zinc/36/58/45/336365845.db2.gz JSAPXUGELHBVMF-SFHVURJKSA-N 0 3 308.429 3.539 20 30 DHEDHN CN(CCSc1cccc(F)c1C#N)Cc1ccccc1 ZINC000302867465 336372541 /nfs/dbraw/zinc/37/25/41/336372541.db2.gz WIYJNPDSTUKYQT-UHFFFAOYSA-N 0 3 300.402 3.921 20 30 DHEDHN N#Cc1csc(CN[C@H]2CC[C@H](c3ccccc3F)C2)n1 ZINC000352949205 336378872 /nfs/dbraw/zinc/37/88/72/336378872.db2.gz RLESQIYUBTUBAO-RYUDHWBXSA-N 0 3 301.390 3.580 20 30 DHEDHN N#Cc1ccc(CNCC2(C(F)F)CC2)c(C(F)(F)F)c1 ZINC000352949219 336378932 /nfs/dbraw/zinc/37/89/32/336378932.db2.gz ROWATTDVRNDXGP-UHFFFAOYSA-N 0 3 304.262 3.712 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccccc2COCC)cc1 ZINC000113317841 336400684 /nfs/dbraw/zinc/40/06/84/336400684.db2.gz KRJUWCUOEXMFCN-UHFFFAOYSA-N 0 3 323.436 3.915 20 30 DHEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1-n1cccn1)CC2 ZINC000353266106 336409253 /nfs/dbraw/zinc/40/92/53/336409253.db2.gz JALAJLMPJYWGIU-IBGZPJMESA-N 0 3 314.392 3.521 20 30 DHEDHN CCOCc1ccccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353423087 336416940 /nfs/dbraw/zinc/41/69/40/336416940.db2.gz CXXATRXHXUSYFG-HXUWFJFHSA-N 0 3 306.409 3.872 20 30 DHEDHN N#CC1(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000418143289 336896608 /nfs/dbraw/zinc/89/66/08/336896608.db2.gz PBLOGTDOVRTLLM-GDBMZVCRSA-N 0 3 313.401 3.589 20 30 DHEDHN N#CCCCOc1cccc(CN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000375317602 337007861 /nfs/dbraw/zinc/00/78/61/337007861.db2.gz GRSPHXPFJXEMNI-RTBURBONSA-N 0 3 314.429 3.513 20 30 DHEDHN C=CCC[C@H](CCC)N[C@H](c1nc(C)no1)C1CCOCC1 ZINC000375889227 337022116 /nfs/dbraw/zinc/02/21/16/337022116.db2.gz HKPDHKGXANTDOM-HOTGVXAUSA-N 0 3 307.438 3.570 20 30 DHEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000123219834 337040959 /nfs/dbraw/zinc/04/09/59/337040959.db2.gz SSPHNRFDPQDHHE-UHFFFAOYSA-N 0 3 324.424 3.986 20 30 DHEDHN CC[C@H](N[C@@H]1C[C@@H](CO)c2ccccc21)c1ccc(C#N)cc1 ZINC000377077822 337046360 /nfs/dbraw/zinc/04/63/60/337046360.db2.gz MKHVONRTOMNDIS-FFZOFVMBSA-N 0 3 306.409 3.820 20 30 DHEDHN COc1ccc(CNC[C@H]2CC[C@H](c3ccccc3)O2)cc1C#N ZINC000377399572 337051852 /nfs/dbraw/zinc/05/18/52/337051852.db2.gz DIPWTIPEHMTNMX-UYAOXDASSA-N 0 3 322.408 3.577 20 30 DHEDHN N#Cc1cccc(CN[C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000377719725 337059589 /nfs/dbraw/zinc/05/95/89/337059589.db2.gz FYLXFDWEZBEQIL-HXUWFJFHSA-N 0 3 318.420 3.742 20 30 DHEDHN N#Cc1cccc(CN[C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000377719392 337059618 /nfs/dbraw/zinc/05/96/18/337059618.db2.gz FYLXFDWEZBEQIL-FQEVSTJZSA-N 0 3 318.420 3.742 20 30 DHEDHN Cc1cccc2c1OC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)C2 ZINC000377737797 337059892 /nfs/dbraw/zinc/05/98/92/337059892.db2.gz DICTUBMSTGHNGX-QAPCUYQASA-N 0 3 322.408 3.552 20 30 DHEDHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(C#N)cc1Cl ZINC000378152833 337067329 /nfs/dbraw/zinc/06/73/29/337067329.db2.gz UJFJXDQTEYHYNQ-PDSMFRHLSA-N 0 3 312.800 3.521 20 30 DHEDHN CC(=O)N1CC[C@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000378447443 337073066 /nfs/dbraw/zinc/07/30/66/337073066.db2.gz AMJNOPXUHGBMFD-KUHUBIRLSA-N 0 3 319.408 3.707 20 30 DHEDHN Fc1ccc(C#CCN[C@H](c2ccccc2)C2CCOCC2)cc1 ZINC000378462713 337073520 /nfs/dbraw/zinc/07/35/20/337073520.db2.gz NOWHJAZWRZMVAM-OAQYLSRUSA-N 0 3 323.411 3.935 20 30 DHEDHN Fc1ccc(C#CCN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000378526616 337075205 /nfs/dbraw/zinc/07/52/05/337075205.db2.gz QPODWIQGKOQQPF-QUCCMNQESA-N 0 3 309.384 3.545 20 30 DHEDHN C=CCC[C@@H](CO)NCc1ccc(Cl)c(Br)c1 ZINC000320976232 337085770 /nfs/dbraw/zinc/08/57/70/337085770.db2.gz HEGLWVVRHDMTFC-NSHDSACASA-N 0 3 318.642 3.519 20 30 DHEDHN N#CCCn1cc(CNCc2ccsc2)c(-c2ccccc2)n1 ZINC000172113817 337089903 /nfs/dbraw/zinc/08/99/03/337089903.db2.gz PAQVMVMTJNGBDP-UHFFFAOYSA-N 0 3 322.437 3.815 20 30 DHEDHN C=C(C)COCCNCc1cccc(OCc2ccccc2)c1 ZINC000394422262 337116196 /nfs/dbraw/zinc/11/61/96/337116196.db2.gz QWZCZUMCYDHPNL-UHFFFAOYSA-N 0 3 311.425 3.948 20 30 DHEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H](C)c1ccccc1 ZINC000172647619 337129252 /nfs/dbraw/zinc/12/92/52/337129252.db2.gz SUSBTCFGCJFLIA-HNNXBMFYSA-N 0 3 310.397 3.639 20 30 DHEDHN C=CCCCC(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 ZINC000175376299 337145265 /nfs/dbraw/zinc/14/52/65/337145265.db2.gz SWHSDWFAGITFHF-UHFFFAOYSA-N 0 3 315.461 3.512 20 30 DHEDHN Cc1ccccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180032529 337173257 /nfs/dbraw/zinc/17/32/57/337173257.db2.gz RXOSJOHXTMHFDL-UHFFFAOYSA-N 0 3 316.408 3.557 20 30 DHEDHN Cc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180030400 337173280 /nfs/dbraw/zinc/17/32/80/337173280.db2.gz VUHVNZKCAPCDQK-UHFFFAOYSA-N 0 3 316.408 3.557 20 30 DHEDHN C[C@@H](NCc1cn(C)nc1-c1ccccc1)c1cccc(C#N)c1 ZINC000180421682 337174373 /nfs/dbraw/zinc/17/43/73/337174373.db2.gz LAOYBJROSZGFOE-OAHLLOKOSA-N 0 3 316.408 3.810 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186655000 337258250 /nfs/dbraw/zinc/25/82/50/337258250.db2.gz CHYNDAOBSISDMD-FOIQADDNSA-N 0 3 304.393 3.751 20 30 DHEDHN Cc1cc(-n2ccnc2)ccc1CN(C)Cc1ccc(C#N)cc1 ZINC000191889720 337300967 /nfs/dbraw/zinc/30/09/67/337300967.db2.gz GMHUUHCCLRHKHX-UHFFFAOYSA-N 0 3 316.408 3.684 20 30 DHEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1cccnc1C#N ZINC000398006686 337303593 /nfs/dbraw/zinc/30/35/93/337303593.db2.gz BGAGRPSHQOELPF-LJQANCHMSA-N 0 3 308.429 3.522 20 30 DHEDHN C=CCN1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102401945 337386300 /nfs/dbraw/zinc/38/63/00/337386300.db2.gz DLPGRLJNKJZRQU-ZDUSSCGKSA-N 0 3 303.793 3.755 20 30 DHEDHN N#Cc1cccc(CNCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000105482476 337386740 /nfs/dbraw/zinc/38/67/40/337386740.db2.gz CMALCZFZWLNDNQ-UHFFFAOYSA-N 0 3 321.355 3.685 20 30 DHEDHN C=CCOc1ccc(CNCc2cc(C)nc(C)c2)cc1OC ZINC000421394127 337530732 /nfs/dbraw/zinc/53/07/32/337530732.db2.gz ZMCYIZQTUOURTC-UHFFFAOYSA-N 0 3 312.413 3.562 20 30 DHEDHN CCN(CC)[C@H](CNc1ncc(C#N)cc1Cl)c1ccco1 ZINC000078613119 337602860 /nfs/dbraw/zinc/60/28/60/337602860.db2.gz WNKPKICFNPHKGA-CQSZACIVSA-N 0 3 318.808 3.695 20 30 DHEDHN C#Cc1cccc(N(C)C(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000264131072 337632401 /nfs/dbraw/zinc/63/24/01/337632401.db2.gz OTKOZMHKSQDWDV-UHFFFAOYSA-N 0 3 318.420 3.540 20 30 DHEDHN C=C[C@@H](C)NCc1cc(Br)cc(Br)c1 ZINC000379590891 337677001 /nfs/dbraw/zinc/67/70/01/337677001.db2.gz WVNJIAJYPFYXMJ-MRVPVSSYSA-N 0 3 319.040 3.876 20 30 DHEDHN C=C(C)COc1cc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)ccc1OC ZINC000527805658 337765255 /nfs/dbraw/zinc/76/52/55/337765255.db2.gz VNCKNKIOLSITBU-QZNHQWIBSA-N 0 3 319.445 3.552 20 30 DHEDHN C[C@H](CNCc1ccc(C#N)cc1F)Oc1cccc(Cl)c1 ZINC000533309072 337840549 /nfs/dbraw/zinc/84/05/49/337840549.db2.gz WMMGPIKLSVARFB-GFCCVEGCSA-N 0 3 318.779 3.908 20 30 DHEDHN Cc1cccnc1[C@H](NCCOc1ccc(C#N)cc1)C(C)C ZINC000118840014 337852043 /nfs/dbraw/zinc/85/20/43/337852043.db2.gz BPGYKWMOBXHFNE-GOSISDBHSA-N 0 3 309.413 3.627 20 30 DHEDHN C=C[C@H](CC(=O)NC[C@@H](C)N1CCC(C)CC1)c1ccccc1 ZINC000119240229 337856658 /nfs/dbraw/zinc/85/66/58/337856658.db2.gz TYQHTHLQLMIAHJ-QZTJIDSGSA-N 0 3 314.473 3.583 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000424573503 337869226 /nfs/dbraw/zinc/86/92/26/337869226.db2.gz YBORBORPEUCYSR-QGZVFWFLSA-N 0 3 300.446 3.542 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000216621074 337903299 /nfs/dbraw/zinc/90/32/99/337903299.db2.gz UUPCDVNOINFVBK-INIZCTEOSA-N 0 3 310.441 3.915 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000424671201 337945447 /nfs/dbraw/zinc/94/54/47/337945447.db2.gz GMICKHQJOLWDAX-MRXNPFEDSA-N 0 3 314.473 3.931 20 30 DHEDHN N#Cc1ccc(CNCC2(Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000537772363 337961908 /nfs/dbraw/zinc/96/19/08/337961908.db2.gz SAVYNIZTABVDJX-UHFFFAOYSA-N 0 3 312.363 3.949 20 30 DHEDHN CC[C@H](NCCc1nnc(C(C)C)s1)c1ccc(C#N)cc1 ZINC000426306873 338026002 /nfs/dbraw/zinc/02/60/02/338026002.db2.gz MAGQKCNFOYSRSM-HNNXBMFYSA-N 0 3 314.458 3.817 20 30 DHEDHN CC[C@H](c1ccccc1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428785190 338060999 /nfs/dbraw/zinc/06/09/99/338060999.db2.gz QFNZKODPQORDJW-QZTJIDSGSA-N 0 3 307.397 3.558 20 30 DHEDHN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428994877 338068070 /nfs/dbraw/zinc/06/80/70/338068070.db2.gz PYWPFMTZWUVKAU-UHOSZYNNSA-N 0 3 316.420 3.603 20 30 DHEDHN Cc1cccnc1OC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000429726800 338088515 /nfs/dbraw/zinc/08/85/15/338088515.db2.gz AEXVPDMCZVWQHY-INIZCTEOSA-N 0 3 321.424 3.866 20 30 DHEDHN CCO[C@@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)C12CCCCC2 ZINC000429779935 338089719 /nfs/dbraw/zinc/08/97/19/338089719.db2.gz AZZKOTAHQJWFSK-QZTJIDSGSA-N 0 3 316.420 3.915 20 30 DHEDHN Cc1cc(CNCC2(CC#N)CC2)ccc1Oc1cccnc1 ZINC000430023023 338093665 /nfs/dbraw/zinc/09/36/65/338093665.db2.gz MWEZDKIQJCCJPY-UHFFFAOYSA-N 0 3 307.397 3.966 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc(CC#N)c2)s1 ZINC000430620937 338109943 /nfs/dbraw/zinc/10/99/43/338109943.db2.gz CNZGQLLUSNCZLO-AWEZNQCLSA-N 0 3 323.421 3.997 20 30 DHEDHN COc1ccc2c(c1)[C@H](NCC1(CC#N)CC1)CCCS2 ZINC000430742771 338113055 /nfs/dbraw/zinc/11/30/55/338113055.db2.gz NEFOBAPCGBKNOU-OAHLLOKOSA-N 0 3 302.443 3.906 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(CO)(c2ccccc2)CC1 ZINC000433070670 338180162 /nfs/dbraw/zinc/18/01/62/338180162.db2.gz HAYSHLNFJPIEDM-QGZVFWFLSA-N 0 3 320.436 3.645 20 30 DHEDHN Cc1cc(CNc2cccc3c2OCC[C@H]3N(C)C)ccc1C#N ZINC000433193521 338185056 /nfs/dbraw/zinc/18/50/56/338185056.db2.gz KJFDFUBRILCCGS-LJQANCHMSA-N 0 3 321.424 3.864 20 30 DHEDHN N#Cc1ccc(CNC[C@@H]2CCCN(c3ccccc3)C2)c(F)c1 ZINC000433201356 338185644 /nfs/dbraw/zinc/18/56/44/338185644.db2.gz WBMWYRFNYCYAEC-KRWDZBQOSA-N 0 3 323.415 3.704 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCC1(c2ccccc2)CC1 ZINC000433217941 338186196 /nfs/dbraw/zinc/18/61/96/338186196.db2.gz BZXQXVMBGUMXBZ-SFHVURJKSA-N 0 3 318.420 3.607 20 30 DHEDHN C=C(C)COCCN[C@@H]1CCc2c1cccc2Br ZINC000151996852 338196732 /nfs/dbraw/zinc/19/67/32/338196732.db2.gz XQYPQAJNEURGHR-OAHLLOKOSA-N 0 3 310.235 3.619 20 30 DHEDHN Cc1oc(NC(=O)CN(CC(C)C)C2CCCC2)c(C#N)c1C ZINC000434906623 338227780 /nfs/dbraw/zinc/22/77/80/338227780.db2.gz WYGWTZPEYOOSCG-UHFFFAOYSA-N 0 3 317.433 3.607 20 30 DHEDHN Cc1oc([N-]C(=O)C[N@@H+](CC(C)C)C2CCCC2)c(C#N)c1C ZINC000434906623 338227781 /nfs/dbraw/zinc/22/77/81/338227781.db2.gz WYGWTZPEYOOSCG-UHFFFAOYSA-N 0 3 317.433 3.607 20 30 DHEDHN Cc1oc([N-]C(=O)C[N@H+](CC(C)C)C2CCCC2)c(C#N)c1C ZINC000434906623 338227782 /nfs/dbraw/zinc/22/77/82/338227782.db2.gz WYGWTZPEYOOSCG-UHFFFAOYSA-N 0 3 317.433 3.607 20 30 DHEDHN C=CCCCCCN[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000435887574 338251838 /nfs/dbraw/zinc/25/18/38/338251838.db2.gz CHOSHRFFZAATEW-SJLPKXTDSA-N 0 3 323.502 3.805 20 30 DHEDHN C=CCN(C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000154792137 338252811 /nfs/dbraw/zinc/25/28/11/338252811.db2.gz ZOEDMWGWJUJTCP-UHFFFAOYSA-N 0 3 304.397 3.552 20 30 DHEDHN C[C@@H](NC[C@H]1Cc2ccccc2N(C)C1)c1ccc(C#N)cc1F ZINC000437081242 338299719 /nfs/dbraw/zinc/29/97/19/338299719.db2.gz YFDACTJXWUZHPW-GDBMZVCRSA-N 0 3 323.415 3.657 20 30 DHEDHN CCCN(CC#Cc1ccc(F)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000438062775 338329460 /nfs/dbraw/zinc/32/94/60/338329460.db2.gz XOCYEHYRKPDBOI-QRVBRYPASA-N 0 3 315.432 3.703 20 30 DHEDHN CC(C)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000438485500 338345784 /nfs/dbraw/zinc/34/57/84/338345784.db2.gz LQVGONXTQKIQIX-JSGCOSHPSA-N 0 3 319.836 3.517 20 30 DHEDHN C[C@@H](Cc1ccc(O)cc1)N(C)CC#Cc1cccc(Cl)c1 ZINC000438607262 338349811 /nfs/dbraw/zinc/34/98/11/338349811.db2.gz KOIBQDBFTGYWEX-HNNXBMFYSA-N 0 3 313.828 3.960 20 30 DHEDHN O[C@@H]1CCCC[C@H]1[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000439011030 338358376 /nfs/dbraw/zinc/35/83/76/338358376.db2.gz ZPRFJWOPYBBKRK-XUVXKRRUSA-N 0 3 315.432 3.583 20 30 DHEDHN N#Cc1ccc(CN2CCN(C3CCCCC3)CC2)c(Cl)c1 ZINC000439438817 338369476 /nfs/dbraw/zinc/36/94/76/338369476.db2.gz DKTDGJJSDYWZNT-UHFFFAOYSA-N 0 3 317.864 3.662 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cscc1C)C(C)C ZINC000439485100 338371318 /nfs/dbraw/zinc/37/13/18/338371318.db2.gz HTQZKXPSDNCKLA-MRXNPFEDSA-N 0 3 321.490 3.877 20 30 DHEDHN Cc1cc(Br)cc(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442785379 338431105 /nfs/dbraw/zinc/43/11/05/338431105.db2.gz UASCRUYJTDPKRZ-GXTWGEPZSA-N 0 3 307.235 3.848 20 30 DHEDHN COc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1OC1CCCC1 ZINC000442794294 338431869 /nfs/dbraw/zinc/43/18/69/338431869.db2.gz SUNMRFYLDPBMMN-GOEBONIOSA-N 0 3 314.429 3.798 20 30 DHEDHN COc1cc(CN2CCC(c3ccc(O)cc3)CC2)ccc1C#N ZINC000442822991 338433625 /nfs/dbraw/zinc/43/36/25/338433625.db2.gz QFTFLRRRUOTTGW-UHFFFAOYSA-N 0 3 322.408 3.652 20 30 DHEDHN CC[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc(C#N)cc1 ZINC000447535337 338555025 /nfs/dbraw/zinc/55/50/25/338555025.db2.gz FHEMPYGAHHCTIL-IBGZPJMESA-N 0 3 320.440 3.794 20 30 DHEDHN CC[C@@H](NCc1ccccc1OCCOC)c1ccc(C#N)cc1 ZINC000447541411 338555604 /nfs/dbraw/zinc/55/56/04/338555604.db2.gz GHOCRZUGSZQKEN-LJQANCHMSA-N 0 3 324.424 3.824 20 30 DHEDHN C[C@@H]1C[C@H](NCc2ccc(-c3ccccc3C#N)cc2)[C@H](C)O1 ZINC000449224863 338604033 /nfs/dbraw/zinc/60/40/33/338604033.db2.gz RGQURFSCEJECNA-SIFCLUCFSA-N 0 3 306.409 3.881 20 30 DHEDHN C=CCCCC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000449287975 338609831 /nfs/dbraw/zinc/60/98/31/338609831.db2.gz XYYYWIRNKHSJHV-LBPRGKRZSA-N 0 3 302.378 3.696 20 30 DHEDHN N#Cc1cc(Cl)ccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450862285 338709130 /nfs/dbraw/zinc/70/91/30/338709130.db2.gz OZDRFYYDHYGSTG-ZACQAIPSSA-N 0 3 316.832 3.649 20 30 DHEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2Cl)[C@@H]2CCCO[C@H]21 ZINC000451476997 338736151 /nfs/dbraw/zinc/73/61/51/338736151.db2.gz HCWPNOCNISHUCG-NUEKZKHPSA-N 0 3 304.821 3.505 20 30 DHEDHN C=CCC1(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)CCCCC1 ZINC000451686224 338741997 /nfs/dbraw/zinc/74/19/97/338741997.db2.gz DTPYJYUPLSJGMS-IRXDYDNUSA-N 0 3 304.478 3.598 20 30 DHEDHN Cc1cccc([C@H](C)NCCC(=O)Nc2sccc2C#N)c1 ZINC000452087651 338753282 /nfs/dbraw/zinc/75/32/82/338753282.db2.gz YZMJEZYTLXBFFS-ZDUSSCGKSA-N 0 3 313.426 3.608 20 30 DHEDHN C=CCC[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccco1 ZINC000453213113 338808802 /nfs/dbraw/zinc/80/88/02/338808802.db2.gz BQXJWVFZEBHDSK-IRXDYDNUSA-N 0 3 303.377 3.619 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453375943 338834187 /nfs/dbraw/zinc/83/41/87/338834187.db2.gz XOBHLBRNCIGKLW-PEYYIBSZSA-N 0 3 319.836 3.611 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@]2(C)CC(C)C)CC1 ZINC000458315417 338995811 /nfs/dbraw/zinc/99/58/11/338995811.db2.gz GHILEPAYDJNIDL-LJQANCHMSA-N 0 3 321.509 3.637 20 30 DHEDHN N#CCCCCN1CCN(CCCCC#N)[C@H](c2ccccc2)C1 ZINC000459500098 339032783 /nfs/dbraw/zinc/03/27/83/339032783.db2.gz BOJXQNHVSCBSDV-FQEVSTJZSA-N 0 3 324.472 3.733 20 30 DHEDHN C=C(C)COc1cc(CN[C@H]2C[C@@H](OC(C)C)C2)ccc1OC ZINC000459640130 339039665 /nfs/dbraw/zinc/03/96/65/339039665.db2.gz WRUHWTHTSUWWNY-CALCHBBNSA-N 0 3 319.445 3.696 20 30 DHEDHN COc1sc(CNCC(C)(C)CC#N)cc1Br ZINC000459732753 339044955 /nfs/dbraw/zinc/04/49/55/339044955.db2.gz PFZWSDNUJWSBBR-UHFFFAOYSA-N 0 3 317.252 3.549 20 30 DHEDHN CC(C)(C)OC(=O)c1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459736306 339045318 /nfs/dbraw/zinc/04/53/18/339045318.db2.gz UQTQGHQULKQWKE-UHFFFAOYSA-N 0 3 302.418 3.671 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459787372 339048656 /nfs/dbraw/zinc/04/86/56/339048656.db2.gz BYSANFLMBMFITI-UONOGXRCSA-N 0 3 302.418 3.529 20 30 DHEDHN C[C@H](CN(C)[C@@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000459810138 339049569 /nfs/dbraw/zinc/04/95/69/339049569.db2.gz PWGXDRWHXSBHAO-KGLIPLIRSA-N 0 3 302.418 3.529 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)C2CCC(C)CC2)CC1 ZINC000461000267 339057096 /nfs/dbraw/zinc/05/70/96/339057096.db2.gz LCHQJYNKSDHEKS-FAFZWHIHSA-N 0 3 320.521 3.996 20 30 DHEDHN C=CCOc1ccccc1CNC[C@@H](C)Oc1ccc(F)cc1 ZINC000462732703 339085342 /nfs/dbraw/zinc/08/53/42/339085342.db2.gz CWOYWCMRXBJQQE-OAHLLOKOSA-N 0 3 315.388 3.948 20 30 DHEDHN C=CCOc1cccc(CNC[C@@H](C)Oc2ccccc2F)c1 ZINC000462737435 339085859 /nfs/dbraw/zinc/08/58/59/339085859.db2.gz WHUIZQPSDDWVPP-OAHLLOKOSA-N 0 3 315.388 3.948 20 30 DHEDHN C=CCOc1cccc(CNC[C@H](C)Oc2cccc(F)c2)c1 ZINC000462738578 339085976 /nfs/dbraw/zinc/08/59/76/339085976.db2.gz ZKHFNYGPYWFFOO-HNNXBMFYSA-N 0 3 315.388 3.948 20 30 DHEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC#Cc2ccccc2)C1 ZINC000463217323 339109997 /nfs/dbraw/zinc/10/99/97/339109997.db2.gz CCHMXECXSLEDAI-PBASOCQRSA-N 0 3 311.469 3.690 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)CC[C@@H]1C)C(C)C ZINC000465539345 339179047 /nfs/dbraw/zinc/17/90/47/339179047.db2.gz CVZHKYYFVGMHMS-OKZBNKHCSA-N 0 3 321.509 3.515 20 30 DHEDHN Cn1cc(CNCCc2cccc(C#N)c2)c(C2CCCCC2)n1 ZINC000466427039 339204495 /nfs/dbraw/zinc/20/44/95/339204495.db2.gz YWOCITDMRAYGGU-UHFFFAOYSA-N 0 3 322.456 3.672 20 30 DHEDHN C=CCCN(C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000467302307 339230407 /nfs/dbraw/zinc/23/04/07/339230407.db2.gz XNZOFISAYNAWSK-KRWDZBQOSA-N 0 3 322.452 3.789 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000468000373 339250837 /nfs/dbraw/zinc/25/08/37/339250837.db2.gz NNFRDLMTMDQZST-ICSRJNTNSA-N 0 3 314.473 3.712 20 30 DHEDHN Cc1ccc(CN(CCc2ccccc2)C(=O)C(C)C#N)s1 ZINC000468188571 339256218 /nfs/dbraw/zinc/25/62/18/339256218.db2.gz XEXMMDAALKBWAM-AWEZNQCLSA-N 0 3 312.438 3.788 20 30 DHEDHN Cc1cc(CN(C(=O)C(C)C#N)C2CCCC2)c2ccccc2n1 ZINC000468889710 339273870 /nfs/dbraw/zinc/27/38/70/339273870.db2.gz GOWZOPNZDFZFAI-CQSZACIVSA-N 0 3 321.424 3.974 20 30 DHEDHN CN(C(=O)C(C#N)CCc1ccccc1)[C@H]1CCc2ccccc21 ZINC000469522150 339292508 /nfs/dbraw/zinc/29/25/08/339292508.db2.gz OIIPFKDFZGXMFK-QUCCMNQESA-N 0 3 318.420 3.905 20 30 DHEDHN CCCN(C(=O)C(C)C#N)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000469701752 339295668 /nfs/dbraw/zinc/29/56/68/339295668.db2.gz NUJRSESTOJSKNV-OWCLPIDISA-N 0 3 306.450 3.513 20 30 DHEDHN C=CCOCCCN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000470759489 339326988 /nfs/dbraw/zinc/32/69/88/339326988.db2.gz GMGMRWJDGFNGKV-UHFFFAOYSA-N 0 3 303.324 3.610 20 30 DHEDHN C=CCC[C@@H](O)CN(CC)Cc1cccc(Br)c1 ZINC000472774430 339377308 /nfs/dbraw/zinc/37/73/08/339377308.db2.gz PTPVQTYAJBSBGU-OAHLLOKOSA-N 0 3 312.251 3.598 20 30 DHEDHN CC1(C)CCCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481189998 339598051 /nfs/dbraw/zinc/59/80/51/339598051.db2.gz NWKLWLWFROYGGK-OAHLLOKOSA-N 0 3 319.836 3.709 20 30 DHEDHN C=CCN(CC=C)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000485674208 339708959 /nfs/dbraw/zinc/70/89/59/339708959.db2.gz VRRQWZHUQXNWKO-UHFFFAOYSA-N 0 3 312.335 3.708 20 30 DHEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccc2ncsc2c1 ZINC000485844745 339714270 /nfs/dbraw/zinc/71/42/70/339714270.db2.gz FZXHVKSYOFUMEY-CYBMUJFWSA-N 0 3 323.421 3.898 20 30 DHEDHN Cc1cccc(OCCCNCc2cc(C#N)cs2)c1C ZINC000486814204 339735614 /nfs/dbraw/zinc/73/56/14/339735614.db2.gz SQHJOMCDNOEAKS-UHFFFAOYSA-N 0 3 300.427 3.795 20 30 DHEDHN Cc1cccc([C@H](C)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000487521424 339755539 /nfs/dbraw/zinc/75/55/39/339755539.db2.gz VPMNQMPIFKFZPZ-SFHVURJKSA-N 0 3 319.452 3.746 20 30 DHEDHN C=CCn1cccc1C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000488399969 339779634 /nfs/dbraw/zinc/77/96/34/339779634.db2.gz RSFDHCICEYBSKO-UHFFFAOYSA-N 0 3 311.429 3.768 20 30 DHEDHN C#C[C@H](N[C@H]1CCO[C@H](C(F)(F)F)C1)c1ccc(Cl)cc1 ZINC000491508194 339864898 /nfs/dbraw/zinc/86/48/98/339864898.db2.gz YVIZPQRLINOSOE-IHRRRGAJSA-N 0 3 317.738 3.714 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000494935271 339965563 /nfs/dbraw/zinc/96/55/63/339965563.db2.gz YLKOYEJLIITCBY-LSDHHAIUSA-N 0 3 321.424 3.672 20 30 DHEDHN COc1ccc([C@H](C)N(C)CCOc2ccccc2C#N)cc1 ZINC000498790598 340023237 /nfs/dbraw/zinc/02/32/37/340023237.db2.gz MTMMYKIKPDQBBX-HNNXBMFYSA-N 0 3 310.397 3.639 20 30 DHEDHN C=CCN1CC[C@H](N[C@H](c2ccc(C(C)C)cc2)C(C)C)C1=O ZINC000499600479 340040377 /nfs/dbraw/zinc/04/03/77/340040377.db2.gz NVTKJERRNJKNJC-OALUTQOASA-N 0 3 314.473 3.884 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000501204516 340076081 /nfs/dbraw/zinc/07/60/81/340076081.db2.gz LBZOPUUYKJPXBW-MRXNPFEDSA-N 0 3 310.372 3.695 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000501208806 340076186 /nfs/dbraw/zinc/07/61/86/340076186.db2.gz ZHJKRCNUMDPHCT-QGZVFWFLSA-N 0 3 324.399 3.771 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@@H](Cc2ccccc2)C1 ZINC000501211023 340076236 /nfs/dbraw/zinc/07/62/36/340076236.db2.gz VHGRRZDWMXQKTR-SFHVURJKSA-N 0 3 306.409 3.631 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C)[C@H](C)C1 ZINC000501779633 340088473 /nfs/dbraw/zinc/08/84/73/340088473.db2.gz XKQDMINVVCEUKB-OAGGEKHMSA-N 0 3 320.502 3.629 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C(=O)OC)cc1 ZINC000502056826 340094288 /nfs/dbraw/zinc/09/42/88/340094288.db2.gz QXYHTHWWBBPGKU-UHFFFAOYSA-N 0 3 322.408 3.757 20 30 DHEDHN C[C@H](c1ccccc1)N1CCCN(c2ccccc2C#N)CC1 ZINC000502070057 340094618 /nfs/dbraw/zinc/09/46/18/340094618.db2.gz IJQJMXIDCZKRGC-QGZVFWFLSA-N 0 3 305.425 3.832 20 30 DHEDHN N#Cc1ccc(OCCN2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000503692304 340133711 /nfs/dbraw/zinc/13/37/11/340133711.db2.gz LHZLZMMRQFUDJD-MRXNPFEDSA-N 0 3 310.372 3.566 20 30 DHEDHN CC[C@@H]1C[C@H](CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000507786317 340231433 /nfs/dbraw/zinc/23/14/33/340231433.db2.gz YLJZDPAHMMPSBZ-VBSBHUPXSA-N 0 3 312.457 3.963 20 30 DHEDHN C=CCN(Cc1ccccc1)Cc1cccc(OCCOC)c1 ZINC000508528122 340245912 /nfs/dbraw/zinc/24/59/12/340245912.db2.gz KTPZNTLRQLKKGB-UHFFFAOYSA-N 0 3 311.425 3.900 20 30 DHEDHN C=CCCCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508891599 340255320 /nfs/dbraw/zinc/25/53/20/340255320.db2.gz HNBSCCLPIQTCJU-FUHWJXTLSA-N 0 3 317.477 3.594 20 30 DHEDHN CC1CCC(N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000302587086 340276789 /nfs/dbraw/zinc/27/67/89/340276789.db2.gz DRWGEBHFYTZRRW-UHFFFAOYSA-N 0 3 319.836 3.661 20 30 DHEDHN C=CCN(CCc1nc2ccccc2n1C)Cc1cccs1 ZINC000510239114 340293701 /nfs/dbraw/zinc/29/37/01/340293701.db2.gz DXNJNKHGFTZZNI-UHFFFAOYSA-N 0 3 311.454 3.866 20 30 DHEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000510418864 340298736 /nfs/dbraw/zinc/29/87/36/340298736.db2.gz AFDWQSWZBDOZAX-SMDDNHRTSA-N 0 3 310.319 3.919 20 30 DHEDHN N#Cc1cc(F)ccc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000303089392 340301179 /nfs/dbraw/zinc/30/11/79/340301179.db2.gz NLEGPGVGERVVCM-SFHVURJKSA-N 0 3 309.388 3.774 20 30 DHEDHN C[C@H](N[C@H]1CCc2ccccc2OC1)c1ccc(C#N)cc1F ZINC000511007638 340318046 /nfs/dbraw/zinc/31/80/46/340318046.db2.gz BSIHCCWLCVBFKQ-BBRMVZONSA-N 0 3 310.372 3.742 20 30 DHEDHN CC(C)(C)c1ccc2c(c1)CN(CCCSCC#N)CC2 ZINC000511216113 340324040 /nfs/dbraw/zinc/32/40/40/340324040.db2.gz KVZNBOURNBIXRN-UHFFFAOYSA-N 0 3 302.487 3.989 20 30 DHEDHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)N1CCc2ccccc21 ZINC000512621160 340369343 /nfs/dbraw/zinc/36/93/43/340369343.db2.gz VCBPLFYELJSGTL-HUUCEWRRSA-N 0 3 323.415 3.799 20 30 DHEDHN C[C@@H](NC[C@H]1CCOc2ccccc21)c1ccc(C#N)cc1F ZINC000512621203 340369447 /nfs/dbraw/zinc/36/94/47/340369447.db2.gz VIYIVRBPVPZZOH-UKRRQHHQSA-N 0 3 310.372 3.914 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000512649422 340370933 /nfs/dbraw/zinc/37/09/33/340370933.db2.gz XAEIPWVJPFXBGK-LJQANCHMSA-N 0 3 308.425 3.938 20 30 DHEDHN C[C@H](NC[C@@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1F ZINC000512655380 340371249 /nfs/dbraw/zinc/37/12/49/340371249.db2.gz UBDJNWQLEAQKLX-LIRRHRJNSA-N 0 3 311.404 3.651 20 30 DHEDHN COc1cccc(C[C@@H](C)N[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512668322 340372259 /nfs/dbraw/zinc/37/22/59/340372259.db2.gz UPLDWULQQGDPRY-KGLIPLIRSA-N 0 3 312.388 3.988 20 30 DHEDHN C=CCOc1ccc(CN[C@@]2(CCC)CCOC2)cc1Cl ZINC000512869729 340381699 /nfs/dbraw/zinc/38/16/99/340381699.db2.gz XTICPPHFMJAACE-KRWDZBQOSA-N 0 3 309.837 3.954 20 30 DHEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1ccccc1C#N ZINC000513075684 340392209 /nfs/dbraw/zinc/39/22/09/340392209.db2.gz LZQBEWXWXUMXSV-DZFGPLHGSA-N 0 3 320.436 3.999 20 30 DHEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000177471329 340440828 /nfs/dbraw/zinc/44/08/28/340440828.db2.gz HIXVWFOPWJYQBU-XHSDSOJGSA-N 0 3 321.424 3.667 20 30 DHEDHN CO[C@@H](C)[C@H](C)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000189099490 340526935 /nfs/dbraw/zinc/52/69/35/340526935.db2.gz RRFLLLKJKJPIRM-HOTGVXAUSA-N 0 3 324.424 3.650 20 30 DHEDHN N#Cc1ccc([C@H](O)CN[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000530241055 340783483 /nfs/dbraw/zinc/78/34/83/340783483.db2.gz HJUGJYRMUMLGRD-ZWKOTPCHSA-N 0 3 312.800 3.522 20 30 DHEDHN C=CC[C@@H](CO)CN[C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000539299403 340879972 /nfs/dbraw/zinc/87/99/72/340879972.db2.gz ZOKJIHFEAZWARC-SJLPKXTDSA-N 0 3 315.457 3.987 20 30 DHEDHN Clc1cccc(C#CCN[C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128598066 340899511 /nfs/dbraw/zinc/89/95/11/340899511.db2.gz TUBRJZBOANNASF-ROUUACIJSA-N 0 3 313.832 3.662 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000540592721 340937134 /nfs/dbraw/zinc/93/71/34/340937134.db2.gz QTNXZETXXZGIDL-HNAYVOBHSA-N 0 3 314.473 3.617 20 30 DHEDHN CCCOc1cc(CN2CCC(CC#N)CC2)ccc1OC ZINC000540995683 340955073 /nfs/dbraw/zinc/95/50/73/340955073.db2.gz YANCCNTXQMSRKE-UHFFFAOYSA-N 0 3 302.418 3.610 20 30 DHEDHN N#CCC1CCN(Cc2ccccc2OCc2ccncc2)CC1 ZINC000540996672 340955252 /nfs/dbraw/zinc/95/52/52/340955252.db2.gz UBKIKCZPOQJLES-UHFFFAOYSA-N 0 3 321.424 3.786 20 30 DHEDHN COC(=O)c1cccc(CN[C@H](C)[C@H](C)c2ccccc2)c1C#N ZINC000541611117 340977560 /nfs/dbraw/zinc/97/75/60/340977560.db2.gz HDDANHWACGFNTH-LSDHHAIUSA-N 0 3 322.408 3.627 20 30 DHEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CC=CCC1 ZINC000542248640 341001870 /nfs/dbraw/zinc/00/18/70/341001870.db2.gz UQKQJUUKDWJXHJ-CYBMUJFWSA-N 0 3 306.356 3.948 20 30 DHEDHN C=CCOc1ccc(CN[C@]2(C)CCO[C@@H]2C2CC2)cc1Cl ZINC000542315937 341004246 /nfs/dbraw/zinc/00/42/46/341004246.db2.gz XSSHSLJVJFVYNF-QZTJIDSGSA-N 0 3 321.848 3.952 20 30 DHEDHN C[C@H](NCCCNc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000542488135 341009925 /nfs/dbraw/zinc/00/99/25/341009925.db2.gz AIKGGDYGUQJVON-ZDUSSCGKSA-N 0 3 315.367 3.989 20 30 DHEDHN COc1ccc(CN2CC[C@H](c3ccc(C)cc3)C2)cc1C#N ZINC000543247514 341038065 /nfs/dbraw/zinc/03/80/65/341038065.db2.gz DLWPTNFGGPXKAR-SFHVURJKSA-N 0 3 306.409 3.865 20 30 DHEDHN C=CCN[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000130704098 341039726 /nfs/dbraw/zinc/03/97/26/341039726.db2.gz XWQFAMRRIIZBIH-INIZCTEOSA-N 0 3 317.230 3.904 20 30 DHEDHN C[C@H](NCCCNc1ccccc1F)c1ccc(C#N)cc1F ZINC000543417370 341043353 /nfs/dbraw/zinc/04/33/53/341043353.db2.gz IWWQTTAESCCXRX-ZDUSSCGKSA-N 0 3 315.367 3.989 20 30 DHEDHN COc1ccccc1C[C@H](NCc1ccccc1C#N)C(C)C ZINC000543492670 341047428 /nfs/dbraw/zinc/04/74/28/341047428.db2.gz WRHAQWLTUWDXHP-IBGZPJMESA-N 0 3 308.425 3.924 20 30 DHEDHN CN(CC1CCN(CCC(C)(C)C#N)CC1)C(=O)OC(C)(C)C ZINC000131489717 341091907 /nfs/dbraw/zinc/09/19/07/341091907.db2.gz FAECYUTZUXTGPR-UHFFFAOYSA-N 0 3 323.481 3.505 20 30 DHEDHN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000544893691 341097532 /nfs/dbraw/zinc/09/75/32/341097532.db2.gz ICNMXDRSBQJCSJ-CVEARBPZSA-N 0 3 321.424 3.853 20 30 DHEDHN Cc1cccc(C)c1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000544893693 341097609 /nfs/dbraw/zinc/09/76/09/341097609.db2.gz ICNMXDRSBQJCSJ-HZPDHXFCSA-N 0 3 321.424 3.853 20 30 DHEDHN CC(C)(C#N)CCN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000131784654 341111633 /nfs/dbraw/zinc/11/16/33/341111633.db2.gz JCDVZSZSBBQUIY-GOSISDBHSA-N 0 3 300.446 3.650 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000131936746 341113832 /nfs/dbraw/zinc/11/38/32/341113832.db2.gz LIHHWLNTGNRMBK-RCCFBDPRSA-N 0 3 318.505 3.750 20 30 DHEDHN C=CCSCCN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133466134 341175956 /nfs/dbraw/zinc/17/59/56/341175956.db2.gz WTEAGMQZTADTNG-CYBMUJFWSA-N 0 3 316.392 3.987 20 30 DHEDHN N#Cc1ccc(OCCNCc2csc3ccccc23)cc1 ZINC000237845158 341221787 /nfs/dbraw/zinc/22/17/87/341221787.db2.gz AAZHPYBHSWQWFY-UHFFFAOYSA-N 0 3 308.406 3.942 20 30 DHEDHN CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000548159474 341250345 /nfs/dbraw/zinc/25/03/45/341250345.db2.gz DSEBHIMMFMNFFO-GDBMZVCRSA-N 0 3 317.433 3.655 20 30 DHEDHN COc1ccc(-c2ccncc2)cc1CN1CCC(CC#N)CC1 ZINC000548504681 341264669 /nfs/dbraw/zinc/26/46/69/341264669.db2.gz MVIHJABHJKVTFU-UHFFFAOYSA-N 0 3 321.424 3.883 20 30 DHEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000548730347 341270926 /nfs/dbraw/zinc/27/09/26/341270926.db2.gz XZTKMGCEWXAWSV-WBMJQRKESA-N 0 3 319.836 3.661 20 30 DHEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000548730346 341270939 /nfs/dbraw/zinc/27/09/39/341270939.db2.gz XZTKMGCEWXAWSV-MLGOLLRUSA-N 0 3 319.836 3.661 20 30 DHEDHN Cn1cc2c(n1)CCC[C@H]2N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000548883354 341279802 /nfs/dbraw/zinc/27/98/02/341279802.db2.gz OMIDVNDQUBSCAF-RBUKOAKNSA-N 0 3 320.440 3.726 20 30 DHEDHN C=CCCN[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549039914 341284366 /nfs/dbraw/zinc/28/43/66/341284366.db2.gz KSZQTGYHQWETJL-RDJZCZTQSA-N 0 3 324.827 3.695 20 30 DHEDHN CC1=C(c2ccco2)CN(CCOc2ccc(C#N)cc2)CC1 ZINC000549159932 341287695 /nfs/dbraw/zinc/28/76/95/341287695.db2.gz VXERXDUICQWRJC-UHFFFAOYSA-N 0 3 308.381 3.709 20 30 DHEDHN C=CCOCCN1CCC[C@H](COc2ccccc2Cl)C1 ZINC000549531661 341296549 /nfs/dbraw/zinc/29/65/49/341296549.db2.gz NBOUHTCGDGANLG-HNNXBMFYSA-N 0 3 309.837 3.633 20 30 DHEDHN C=CCC[C@H](NC[C@H](CO)Cc1ccc(F)cc1)c1ccco1 ZINC000552046742 341364899 /nfs/dbraw/zinc/36/48/99/341364899.db2.gz QFGXRAYLRSCKKU-AEFFLSMTSA-N 0 3 317.404 3.867 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000249079773 341393261 /nfs/dbraw/zinc/39/32/61/341393261.db2.gz LINANXOFZYVTBS-QGPMSJSTSA-N 0 3 320.502 3.850 20 30 DHEDHN COc1cc(CN[C@@H]2c3cc(F)ccc3C[C@H]2C)ccc1C#N ZINC000554998509 341472237 /nfs/dbraw/zinc/47/22/37/341472237.db2.gz PLJBHSPAEXXJCK-BLVKFPJESA-N 0 3 310.372 3.729 20 30 DHEDHN COc1cc(CNCc2ccc(Cl)cc2C)ccc1C#N ZINC000568569632 341675246 /nfs/dbraw/zinc/67/52/46/341675246.db2.gz FCMCJEUKKLNASF-UHFFFAOYSA-N 0 3 300.789 3.819 20 30 DHEDHN C[C@H](NC[C@@H]1CSc2ccccc2O1)c1ccc(C#N)cc1 ZINC000576754986 341861587 /nfs/dbraw/zinc/86/15/87/341861587.db2.gz NMHNBHUMVIUOBY-XJKSGUPXSA-N 0 3 310.422 3.762 20 30 DHEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000577856223 341943669 /nfs/dbraw/zinc/94/36/69/341943669.db2.gz RNOJGNUXTQRZFD-HNNXBMFYSA-N 0 3 322.880 3.704 20 30 DHEDHN COc1ccc2c(c1)[C@H](NCc1ccc(CC#N)cc1)CCC2 ZINC000578012428 341970481 /nfs/dbraw/zinc/97/04/81/341970481.db2.gz GMYDIKPBZSKOEA-HXUWFJFHSA-N 0 3 306.409 3.928 20 30 DHEDHN COc1cc(F)cc(CN[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341876452 518136679 /nfs/dbraw/zinc/13/66/79/518136679.db2.gz JVHZMPGEKQYOFH-IBGZPJMESA-N 0 3 310.372 3.873 20 30 DHEDHN COc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1OCCCC#N ZINC000158031299 518150925 /nfs/dbraw/zinc/15/09/25/518150925.db2.gz QADVHALLMCYHCD-HOTGVXAUSA-N 0 3 316.445 3.856 20 30 DHEDHN CC(C)(C)OC(=O)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000236808181 518857824 /nfs/dbraw/zinc/85/78/24/518857824.db2.gz USJUFMHSZIJXSU-UHFFFAOYSA-N 0 3 322.408 3.803 20 30 DHEDHN CC(C)Oc1ccc([C@H](O)CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000181763086 519781952 /nfs/dbraw/zinc/78/19/52/519781952.db2.gz QHCXHSVDNVQDAC-MGPUTAFESA-N 0 3 324.424 3.730 20 30 DHEDHN CCCn1nccc1C1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000337373595 521673014 /nfs/dbraw/zinc/67/30/14/521673014.db2.gz QAHUSFCQHIJGBC-UHFFFAOYSA-N 0 3 322.456 3.853 20 30 DHEDHN COC(=O)c1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000189195592 522003414 /nfs/dbraw/zinc/00/34/14/522003414.db2.gz TUIRDIVLLDHDBD-CQSZACIVSA-N 0 3 308.381 3.538 20 30 DHEDHN COc1cc(CN(C)[C@@H](C)c2ccc(C#N)cc2)cc(OC)c1 ZINC000265526932 522356609 /nfs/dbraw/zinc/35/66/09/522356609.db2.gz OZUURKOISFMASK-AWEZNQCLSA-N 0 3 310.397 3.768 20 30 DHEDHN COc1ccc(CN2CC[C@@H](c3ccccc3F)C2)cc1C#N ZINC000339375879 524037065 /nfs/dbraw/zinc/03/70/65/524037065.db2.gz KESGQNHJWAQAIY-OAHLLOKOSA-N 0 3 310.372 3.695 20 30 DHEDHN Cc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000112543320 524440377 /nfs/dbraw/zinc/44/03/77/524440377.db2.gz ALCAUNATIPGWNY-UHFFFAOYSA-N 0 3 306.409 3.910 20 30 DHEDHN COc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000157816461 524813658 /nfs/dbraw/zinc/81/36/58/524813658.db2.gz PVQAMHPUFVBBIW-HNNXBMFYSA-N 0 3 310.372 3.695 20 30 DHEDHN C[C@@H](NC[C@@](C)(O)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000157607687 525488712 /nfs/dbraw/zinc/48/87/12/525488712.db2.gz OORONLXYSIOCHY-FZKQIMNGSA-N 0 3 314.816 3.770 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2ccccc2CO)CC1 ZINC000364783789 526043266 /nfs/dbraw/zinc/04/32/66/526043266.db2.gz HNJUHCHFKAWGBR-MRXNPFEDSA-N 0 3 320.436 3.991 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338326885 526068280 /nfs/dbraw/zinc/06/82/80/526068280.db2.gz BPUHNLYUUPKZDR-LAUBAEHRSA-N 0 3 320.436 3.645 20 30 DHEDHN N#Cc1cc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)ccc1F ZINC000181191808 526551287 /nfs/dbraw/zinc/55/12/87/526551287.db2.gz SGCWBHPDDYXFRB-OXJNMPFZSA-N 0 3 324.399 3.955 20 30 DHEDHN N#Cc1ccc(CNCCc2ccccc2OC(F)F)s1 ZINC000190881997 526623888 /nfs/dbraw/zinc/62/38/88/526623888.db2.gz HRELCNPKHXDICX-UHFFFAOYSA-N 0 3 308.353 3.553 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000182698398 526626627 /nfs/dbraw/zinc/62/66/27/526626627.db2.gz NWHWXNYNKACWRI-JKSUJKDBSA-N 0 3 320.364 3.518 20 30 DHEDHN N#Cc1ccc(OCCN[C@@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000367602111 526675987 /nfs/dbraw/zinc/67/59/87/526675987.db2.gz QYQFBUYCBNEPFY-GOSISDBHSA-N 0 3 324.428 3.571 20 30 DHEDHN N#Cc1cccc(OC2CCN(CCc3ccccc3)CC2)c1 ZINC000104714396 526725697 /nfs/dbraw/zinc/72/56/97/526725697.db2.gz VOSVADLXTWXTGX-UHFFFAOYSA-N 0 3 306.409 3.644 20 30 DHEDHN Cn1cc(CN2CCC[C@@H]3CCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000179985974 527201877 /nfs/dbraw/zinc/20/18/77/527201877.db2.gz VXCMEANFAWGFQY-LPHOPBHVSA-N 0 3 320.440 3.723 20 30 DHEDHN C=CCN(CCc1ccncc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000519146910 1013283601 /nfs/dbraw/zinc/28/36/01/1013283601.db2.gz DPDVIFDYUJKCLR-UHFFFAOYSA-N 0 3 311.385 3.529 20 30 DHEDHN C=CCC[C@H](C(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000275316483 1013328700 /nfs/dbraw/zinc/32/87/00/1013328700.db2.gz KLVCHWNNYZBLMX-APWZRJJASA-N 0 3 312.457 3.503 20 30 DHEDHN COc1ccc(CN2CCC(n3c(C)ccc3C)CC2)cc1C#N ZINC000340149802 1013360412 /nfs/dbraw/zinc/36/04/12/1013360412.db2.gz IUMXYCNNGXDUDX-UHFFFAOYSA-N 0 3 323.440 3.822 20 30 DHEDHN C#C[C@H](N[C@H](C)C[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000894870743 1013571800 /nfs/dbraw/zinc/57/18/00/1013571800.db2.gz OFUFSTCEGPITDX-IOASZLSFSA-N 0 3 322.246 3.528 20 30 DHEDHN Cc1cc(CN2CC[C@@H](Oc3cccc(F)c3)C2)ccc1C#N ZINC000618606687 1013612412 /nfs/dbraw/zinc/61/24/12/1013612412.db2.gz VXJVTCAJDYTVQH-LJQANCHMSA-N 0 3 310.372 3.659 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(C#N)cc2)s1 ZINC000430609581 1013619005 /nfs/dbraw/zinc/61/90/05/1013619005.db2.gz HOLACKBZYTZVEN-ZDUSSCGKSA-N 0 3 309.394 3.802 20 30 DHEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000520174783 1013668651 /nfs/dbraw/zinc/66/86/51/1013668651.db2.gz ZVPMCQCBJJEDHN-IEBWSBKVSA-N 0 3 315.461 3.514 20 30 DHEDHN C[C@H](Cc1ccc(O)cc1)N(C)CC#Cc1ccccc1Cl ZINC000441181316 1013680915 /nfs/dbraw/zinc/68/09/15/1013680915.db2.gz XWFBCDVWNCOVDO-OAHLLOKOSA-N 0 3 313.828 3.960 20 30 DHEDHN N#Cc1ccccc1OCCN(CCC(F)(F)F)CC1CC1 ZINC000177168106 1013711935 /nfs/dbraw/zinc/71/19/35/1013711935.db2.gz YXSZJAHJYISTML-UHFFFAOYSA-N 0 3 312.335 3.601 20 30 DHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@H](C)C[C@@H](C)CC)C1 ZINC000330995298 1013851492 /nfs/dbraw/zinc/85/14/92/1013851492.db2.gz WTGYSJKRFZYEPM-ARFHVFGLSA-N 0 3 320.481 3.821 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000048709584 1013929556 /nfs/dbraw/zinc/92/95/56/1013929556.db2.gz BWGVIUPMXPMFAI-CQSZACIVSA-N 0 3 319.408 3.758 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000610344734 1013954218 /nfs/dbraw/zinc/95/42/18/1013954218.db2.gz GNGYIKVNZMHSEP-HNNXBMFYSA-N 0 3 322.408 3.982 20 30 DHEDHN CO[C@@H](CNCc1cc(C#N)cs1)c1cccc(Cl)c1 ZINC000177707717 1014019492 /nfs/dbraw/zinc/01/94/92/1014019492.db2.gz YSQOKRSTJOLSDT-HNNXBMFYSA-N 0 3 306.818 3.750 20 30 DHEDHN COc1cccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)c1 ZINC000155760271 1014171053 /nfs/dbraw/zinc/17/10/53/1014171053.db2.gz JYZCFINPWGMKTJ-CYBMUJFWSA-N 0 3 315.398 3.521 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2cccc(F)c2)n1 ZINC000155763038 1014173597 /nfs/dbraw/zinc/17/35/97/1014173597.db2.gz MFNSUXBSVXSYBN-GFCCVEGCSA-N 0 3 303.362 3.651 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cccc(OCC)c1 ZINC000068839363 1014306097 /nfs/dbraw/zinc/30/60/97/1014306097.db2.gz WRCKYMOCJFCGFG-CVEARBPZSA-N 0 3 318.461 3.549 20 30 DHEDHN C#CCCCCNCc1c(F)ccc(Br)c1F ZINC000230312764 1014343490 /nfs/dbraw/zinc/34/34/90/1014343490.db2.gz IQRTXNZOSOSJTD-UHFFFAOYSA-N 0 3 302.162 3.620 20 30 DHEDHN Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(OCC(F)(F)F)c1 ZINC000442795386 1014738327 /nfs/dbraw/zinc/73/83/27/1014738327.db2.gz UDJJAWRZNRKJIT-JSGCOSHPSA-N 0 3 312.335 3.718 20 30 DHEDHN COc1ccc([C@@H](C)N(C)Cc2ccc(C#N)c(OC)c2)cc1 ZINC000442795223 1014735435 /nfs/dbraw/zinc/73/54/35/1014735435.db2.gz DSWSXYPDPUGJQB-CQSZACIVSA-N 0 3 310.397 3.768 20 30 DHEDHN Cc1cc(CN2CCSCC2)ccc1N[C@@H]1CC[C@H](C#N)C1 ZINC000442859899 1014749033 /nfs/dbraw/zinc/74/90/33/1014749033.db2.gz VVBPSIPHUWVSEY-DOTOQJQBSA-N 0 3 315.486 3.648 20 30 DHEDHN COc1ccc(CN(CCC(F)(F)F)CC2CC2)cc1C#N ZINC000135138172 1014773103 /nfs/dbraw/zinc/77/31/03/1014773103.db2.gz ZJOPRPWHIWUYLI-UHFFFAOYSA-N 0 3 312.335 3.731 20 30 DHEDHN CCOc1cccc(CNCc2ccc(N(C)CCC#N)cc2)c1 ZINC000078461371 1015246218 /nfs/dbraw/zinc/24/62/18/1015246218.db2.gz DMZKSCHWIZAZAZ-UHFFFAOYSA-N 0 3 323.440 3.725 20 30 DHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-n2cncn2)cc1 ZINC000178179655 1015405414 /nfs/dbraw/zinc/40/54/14/1015405414.db2.gz CQHKCLFHVBCCAB-CABCVRRESA-N 0 3 317.396 3.551 20 30 DHEDHN CCN(CC)[C@H](CNc1snc(C)c1C#N)c1ccsc1 ZINC000341528433 1015436755 /nfs/dbraw/zinc/43/67/55/1015436755.db2.gz RRGWFUKCQOONPR-CQSZACIVSA-N 0 3 320.487 3.880 20 30 DHEDHN CC(C)N(Cc1cn2ccnc2s1)Cc1ccc(C#N)cc1 ZINC000891626413 1015464379 /nfs/dbraw/zinc/46/43/79/1015464379.db2.gz ZALQCPKYDDYTKW-UHFFFAOYSA-N 0 3 310.426 3.678 20 30 DHEDHN C=C(CNCc1ccnn1-c1ccc(F)cc1)c1ccccc1 ZINC000474611504 1015489305 /nfs/dbraw/zinc/48/93/05/1015489305.db2.gz CEGSVQQZFSOOFW-UHFFFAOYSA-N 0 3 307.372 3.814 20 30 DHEDHN CC(C)Cc1ccccc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000933643757 1015587080 /nfs/dbraw/zinc/58/70/80/1015587080.db2.gz DSIUGCSOTNQHLU-UHFFFAOYSA-N 0 3 313.441 3.723 20 30 DHEDHN CCN1CCCC[C@H]1CNC(=O)c1cc(-c2cccs2)on1 ZINC000329207440 1015660221 /nfs/dbraw/zinc/66/02/21/1015660221.db2.gz FEOWCCMDJKZTPX-LBPRGKRZSA-N 0 3 319.430 3.582 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000610705495 1015724745 /nfs/dbraw/zinc/72/47/45/1015724745.db2.gz BKDOQPUJTBFADY-SFHVURJKSA-N 0 3 322.408 3.610 20 30 DHEDHN CSc1nc(CN(C)CCc2cccc(C)c2)ccc1C#N ZINC001141941596 1015786053 /nfs/dbraw/zinc/78/60/53/1015786053.db2.gz PZZUWTOVSFSVHN-UHFFFAOYSA-N 0 3 311.454 3.658 20 30 DHEDHN C[C@@H](CN1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000522663020 1015789389 /nfs/dbraw/zinc/78/93/89/1015789389.db2.gz QYFBTKVAGNSHJT-INIZCTEOSA-N 0 3 323.415 3.623 20 30 DHEDHN Cc1cc(CNCc2ccc(C)c(C#N)c2)c2c(n1)CCCC2 ZINC000896880302 1015796281 /nfs/dbraw/zinc/79/62/81/1015796281.db2.gz UDXKRMSUHKCHIO-UHFFFAOYSA-N 0 3 305.425 3.739 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000341890293 1015814772 /nfs/dbraw/zinc/81/47/72/1015814772.db2.gz UKWUYSGVCXHYJP-KBPBESRZSA-N 0 3 302.443 3.645 20 30 DHEDHN COc1cccc(CN(Cc2ccnc(C#N)c2)CC(C)C)c1 ZINC000610992248 1016000366 /nfs/dbraw/zinc/00/03/66/1016000366.db2.gz NNZKWNOUJABNTE-UHFFFAOYSA-N 0 3 309.413 3.620 20 30 DHEDHN N#Cc1cc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)ccn1 ZINC000610993184 1016005273 /nfs/dbraw/zinc/00/52/73/1016005273.db2.gz GZABEDGRBPOFGD-QGZVFWFLSA-N 0 3 316.408 3.814 20 30 DHEDHN N#Cc1ccccc1-c1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000611009069 1016010141 /nfs/dbraw/zinc/01/01/41/1016010141.db2.gz RZQZBITYHIIEGK-UHFFFAOYSA-N 0 3 314.392 3.507 20 30 DHEDHN COc1ccc([C@@H](C)CN(C)Cc2cc(C#N)ccc2F)cc1 ZINC000539407988 1016333907 /nfs/dbraw/zinc/33/39/07/1016333907.db2.gz TVUMIQHJRSJHPB-AWEZNQCLSA-N 0 3 312.388 3.941 20 30 DHEDHN C[C@H](c1ccccc1)[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000611587649 1016611724 /nfs/dbraw/zinc/61/17/24/1016611724.db2.gz KPINZIPIDNWFTC-TYILLQQXSA-N 0 3 312.388 3.513 20 30 DHEDHN COc1cc(CN[C@H]2CCc3c2cccc3Cl)ccc1C#N ZINC000281609918 1016629231 /nfs/dbraw/zinc/62/92/31/1016629231.db2.gz GNLQQKKJYJEASJ-KRWDZBQOSA-N 0 3 312.800 3.997 20 30 DHEDHN C=CCCn1cc(CN[C@H](C)Cc2ccc(C(C)C)cc2)nn1 ZINC000657422846 1016721188 /nfs/dbraw/zinc/72/11/88/1016721188.db2.gz BEZZAIARLBWDLD-MRXNPFEDSA-N 0 3 312.461 3.698 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1OC ZINC000343748814 1016905741 /nfs/dbraw/zinc/90/57/41/1016905741.db2.gz IPDAMPSAYZNSJQ-CQSZACIVSA-N 0 3 310.397 3.621 20 30 DHEDHN C=CCCn1cc(CNC[C@@H]2CCCC[C@H]2c2ccccc2)nn1 ZINC000657484637 1017010029 /nfs/dbraw/zinc/01/00/29/1017010029.db2.gz GQXMEKPSEUQZPT-ICSRJNTNSA-N 0 3 324.472 3.918 20 30 DHEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H]1COc2ccccc21 ZINC000185592473 1017032270 /nfs/dbraw/zinc/03/22/70/1017032270.db2.gz JHPFMLSTFQGGEI-RDTXWAMCSA-N 0 3 311.812 3.846 20 30 DHEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1COc2ccccc21 ZINC000185592428 1017032591 /nfs/dbraw/zinc/03/25/91/1017032591.db2.gz JHPFMLSTFQGGEI-KSSFIOAISA-N 0 3 311.812 3.846 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000523007204 1017042962 /nfs/dbraw/zinc/04/29/62/1017042962.db2.gz BVNKOSKYVXAKBE-MRXNPFEDSA-N 0 3 314.473 3.641 20 30 DHEDHN C=C(C)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000119622368 1032307564 /nfs/dbraw/zinc/30/75/64/1032307564.db2.gz BNHVXERQDMTUCM-UHFFFAOYSA-N 0 3 302.330 3.529 20 30 DHEDHN C#CCOc1ccccc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000772988280 1032372179 /nfs/dbraw/zinc/37/21/79/1032372179.db2.gz NSFNTXNDCNYSFB-MRXNPFEDSA-N 0 3 308.425 3.615 20 30 DHEDHN C#CCOc1ccccc1CN[C@H](CC)c1ccc2c(c1)CCO2 ZINC000772989620 1032380047 /nfs/dbraw/zinc/38/00/47/1032380047.db2.gz XHCNZLBSXDOEGG-LJQANCHMSA-N 0 3 321.420 3.874 20 30 DHEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCC(C)(C)C)c1 ZINC000103638322 1032409318 /nfs/dbraw/zinc/40/93/18/1032409318.db2.gz LCMMRJACZJWEBX-OAHLLOKOSA-N 0 3 316.401 3.559 20 30 DHEDHN COc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1C#N ZINC000773072745 1032546699 /nfs/dbraw/zinc/54/66/99/1032546699.db2.gz BIWOBWJBLCDBBV-QGZVFWFLSA-N 0 3 312.800 3.997 20 30 DHEDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(OC)c(C#N)c2)cc1 ZINC000773086130 1032554207 /nfs/dbraw/zinc/55/42/07/1032554207.db2.gz ZBIKFBMPGMQKGT-OAHLLOKOSA-N 0 3 323.440 3.874 20 30 DHEDHN CC[C@@H](C)Sc1ccc(NC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000424115291 1011909193 /nfs/dbraw/zinc/90/91/93/1011909193.db2.gz VAUJMNYBCZPWAU-UKRRQHHQSA-N 0 3 319.474 3.845 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2cnc(-c3ccccc3F)s2)C1 ZINC000424196945 1011941288 /nfs/dbraw/zinc/94/12/88/1011941288.db2.gz GPBGNQYHLBYILO-NWDGAFQWSA-N 0 3 301.390 3.731 20 30 DHEDHN COc1ccc(-c2ccncc2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424201507 1011942553 /nfs/dbraw/zinc/94/25/53/1011942553.db2.gz SCKYDEUSAKWMBP-KBXCAEBGSA-N 0 3 307.397 3.539 20 30 DHEDHN C=CCn1cc(CN[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)nn1 ZINC000424297124 1011963909 /nfs/dbraw/zinc/96/39/09/1011963909.db2.gz PXOWWWOWADFPSN-HOCLYGCPSA-N 0 3 316.836 3.543 20 30 DHEDHN C=CCn1cc(CN[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)nn1 ZINC000424295823 1011964446 /nfs/dbraw/zinc/96/44/46/1011964446.db2.gz NNVOFFJXZURVDA-GOEBONIOSA-N 0 3 316.836 3.543 20 30 DHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OC(F)(F)F)cc1 ZINC001204415576 1012034676 /nfs/dbraw/zinc/03/46/76/1012034676.db2.gz UMEXDNKWYKYDLB-ZSOGYDGISA-N 0 3 310.319 3.852 20 30 DHEDHN N#Cc1ccc(S[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000425274868 1012401488 /nfs/dbraw/zinc/40/14/88/1012401488.db2.gz BCSWJENXJRDOSW-KRWDZBQOSA-N 0 3 309.438 3.710 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC000538391779 1012521367 /nfs/dbraw/zinc/52/13/67/1012521367.db2.gz UEMZCISIJSQTLI-VQIMIIECSA-N 0 3 312.457 3.625 20 30 DHEDHN COc1cccc2c1CC[C@@H]2N[C@@H]1CCc2ccc(C#N)cc21 ZINC000517000000 1012889413 /nfs/dbraw/zinc/88/94/13/1012889413.db2.gz KFGIOPRLJDUDTG-RBUKOAKNSA-N 0 3 304.393 3.831 20 30 DHEDHN C=CCN(CCC(=O)NCC1CCCCC1)Cc1cccs1 ZINC000517530693 1013003596 /nfs/dbraw/zinc/00/35/96/1013003596.db2.gz XZUCVYQMGVAGLH-UHFFFAOYSA-N 0 3 320.502 3.823 20 30 DHEDHN CCCOc1cc(CNCc2ccc(CC#N)cc2)ccc1OC ZINC000517565387 1013016306 /nfs/dbraw/zinc/01/63/06/1013016306.db2.gz AOMWMKBVIMSBOJ-UHFFFAOYSA-N 0 3 324.424 3.840 20 30 DHEDHN Cc1ccc(CNCc2ccc(N(C)CCC#N)cc2)cc1F ZINC000073052788 1017124864 /nfs/dbraw/zinc/12/48/64/1017124864.db2.gz LUKXNNXTEXORFG-UHFFFAOYSA-N 0 3 311.404 3.774 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000248238245 1017207857 /nfs/dbraw/zinc/20/78/57/1017207857.db2.gz NMVIKFYAENLQHA-QGZVFWFLSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CC[C@H](C)N[C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000180947188 1017517155 /nfs/dbraw/zinc/51/71/55/1017517155.db2.gz JRRLHVKJYNHNMZ-RYUDHWBXSA-N 0 3 304.825 3.844 20 30 DHEDHN N#CC(C(=O)CCCOc1ccccc1Cl)c1ccccn1 ZINC000051898260 1017588837 /nfs/dbraw/zinc/58/88/37/1017588837.db2.gz LVWUXFHJPCEJNN-CYBMUJFWSA-N 0 3 314.772 3.770 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1cc(F)cc2cccnc21 ZINC000046529289 1017623412 /nfs/dbraw/zinc/62/34/12/1017623412.db2.gz OTEDMNSFIQFPJS-UHFFFAOYSA-N 0 3 305.356 3.878 20 30 DHEDHN CCC[C@@]1(C(=O)OCC)CCCN1CCCCC(C)(C)C#N ZINC000444774675 1017670795 /nfs/dbraw/zinc/67/07/95/1017670795.db2.gz KCXYOLJPZPRLKY-SFHVURJKSA-N 0 3 308.466 3.904 20 30 DHEDHN Fc1ccc(C#CCN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181194315 1017730829 /nfs/dbraw/zinc/73/08/29/1017730829.db2.gz UHHONSVODIIFKW-GHTZIAJQSA-N 0 3 323.411 3.935 20 30 DHEDHN Cc1nc(-c2ccc(CN[C@@H]3CCC[C@H](C#N)C3)o2)cs1 ZINC000446822993 1018259793 /nfs/dbraw/zinc/25/97/93/1018259793.db2.gz HMMJVIDZMPDMLN-QWHCGFSZSA-N 0 3 301.415 3.884 20 30 DHEDHN CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000263703847 1032757485 /nfs/dbraw/zinc/75/74/85/1032757485.db2.gz RTBQLQNWYPADHS-CQSZACIVSA-N 0 3 310.397 3.903 20 30 DHEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000174436465 1018428475 /nfs/dbraw/zinc/42/84/75/1018428475.db2.gz AFCVCKRDUKIJSQ-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN CCCN(CC(=O)Nc1sccc1C#N)CC1CCCCC1 ZINC000060495807 1018772704 /nfs/dbraw/zinc/77/27/04/1018772704.db2.gz XYSJKVRMZZQREY-UHFFFAOYSA-N 0 3 319.474 3.851 20 30 DHEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]2CC2CCCC2)c1 ZINC001171631592 1032795664 /nfs/dbraw/zinc/79/56/64/1032795664.db2.gz NPDBNKXVCUSEOM-GOSISDBHSA-N 0 3 311.429 3.541 20 30 DHEDHN CC[C@@H](N[C@H](CCO)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000278639362 1018974288 /nfs/dbraw/zinc/97/42/88/1018974288.db2.gz HKWTVSHXLNFOQK-WOJBJXKFSA-N 0 3 324.424 3.731 20 30 DHEDHN CN(C)[C@@H](CNc1nc2ccccc2cc1C#N)c1cccs1 ZINC000750011417 1019042721 /nfs/dbraw/zinc/04/27/21/1019042721.db2.gz QULLVVLVYHCONX-INIZCTEOSA-N 0 3 322.437 3.883 20 30 DHEDHN COc1cc(CN[C@H](C)c2cc3c(s2)CCC3)ccc1C#N ZINC000573170602 1019060580 /nfs/dbraw/zinc/06/05/80/1019060580.db2.gz CMDPURAGLMIFMK-GFCCVEGCSA-N 0 3 312.438 3.968 20 30 DHEDHN N#Cc1cc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)cs1 ZINC000921926616 1019126166 /nfs/dbraw/zinc/12/61/66/1019126166.db2.gz CIWWLTKCESPSIO-KDOFPFPSSA-N 0 3 312.438 3.877 20 30 DHEDHN CC[C@H](CSC)NCc1cc(C#N)ccc1Br ZINC000921965595 1019227532 /nfs/dbraw/zinc/22/75/32/1019227532.db2.gz BYKWJOUURSEUID-GFCCVEGCSA-N 0 3 313.264 3.552 20 30 DHEDHN C=CCOCCN[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000679576809 1019230264 /nfs/dbraw/zinc/23/02/64/1019230264.db2.gz VFJMUKKGRKWVGN-JTQLQIEISA-N 0 3 305.752 3.795 20 30 DHEDHN CCCN(Cc1n[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000611255782 1019424657 /nfs/dbraw/zinc/42/46/57/1019424657.db2.gz UUFQFCXSRKMQNV-UHFFFAOYSA-N 0 3 304.397 3.847 20 30 DHEDHN CCCN(Cc1[nH]nc2ccccc21)Cc1ccc(C#N)cc1 ZINC000611255782 1019424662 /nfs/dbraw/zinc/42/46/62/1019424662.db2.gz UUFQFCXSRKMQNV-UHFFFAOYSA-N 0 3 304.397 3.847 20 30 DHEDHN CN(c1ccccc1)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000065957228 1019466115 /nfs/dbraw/zinc/46/61/15/1019466115.db2.gz IHVZLWUEJOLGEB-UHFFFAOYSA-N 0 3 305.425 3.659 20 30 DHEDHN COc1cc2c(cc1F)CC[C@H]2N[C@H]1CCc2ccc(C#N)cc21 ZINC000555002490 1019607844 /nfs/dbraw/zinc/60/78/44/1019607844.db2.gz GOVWIAFGEPFWBP-RBUKOAKNSA-N 0 3 322.383 3.970 20 30 DHEDHN C#C[C@H](NCc1cc(Br)c(Cl)s1)C(C)C ZINC000300881906 1032848880 /nfs/dbraw/zinc/84/88/80/1032848880.db2.gz IZOJYZQHZUBDGY-JTQLQIEISA-N 0 3 306.656 3.911 20 30 DHEDHN C#CC[C@H](CCOC)NCc1cc(Cl)cc(Cl)c1OC ZINC000858334689 1032849642 /nfs/dbraw/zinc/84/96/42/1032849642.db2.gz XRKRAWLYPLMMTJ-CYBMUJFWSA-N 0 3 316.228 3.520 20 30 DHEDHN C=C(C)COc1cc(CN2CCC[C@@H](OCC)C2)ccc1OC ZINC000155469092 1019819275 /nfs/dbraw/zinc/81/92/75/1019819275.db2.gz JNDSGODMKRMSNA-QGZVFWFLSA-N 0 3 319.445 3.651 20 30 DHEDHN C=CCN(Cc1ccccc1)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785441119 1019854270 /nfs/dbraw/zinc/85/42/70/1019854270.db2.gz ZDXXEUDQEKTPFW-HNNXBMFYSA-N 0 3 304.434 3.588 20 30 DHEDHN COc1ccc([C@@H]2C[C@@H](NCc3ccccc3C#N)CCO2)cc1 ZINC001168590619 1019868523 /nfs/dbraw/zinc/86/85/23/1019868523.db2.gz QAYCBAGMVFAMQM-ICSRJNTNSA-N 0 3 322.408 3.577 20 30 DHEDHN C=CCC[C@H](N[C@H]1COc2c(cccc2OC)C1)c1ccco1 ZINC000671745861 1019908304 /nfs/dbraw/zinc/90/83/04/1019908304.db2.gz QIWIZTPTWJDGGB-CVEARBPZSA-N 0 3 313.397 3.889 20 30 DHEDHN C=C(C)CN1CCC(NC(=S)Nc2cc(C)ccc2C)CC1 ZINC000729942784 1019927314 /nfs/dbraw/zinc/92/73/14/1019927314.db2.gz RPYFCWLQBIHFIF-UHFFFAOYSA-N 0 3 317.502 3.630 20 30 DHEDHN C=CCN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000730019390 1019940442 /nfs/dbraw/zinc/94/04/42/1019940442.db2.gz JKXJDVFOKSTFLD-UHFFFAOYSA-N 0 3 322.452 3.799 20 30 DHEDHN COc1ccccc1[C@@H]1CCCN1Cc1ccc(OCC#N)cc1 ZINC000731212340 1020078904 /nfs/dbraw/zinc/07/89/04/1020078904.db2.gz HQWZCRAALXCREB-IBGZPJMESA-N 0 3 322.408 3.935 20 30 DHEDHN N#CCOc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000731210381 1020079380 /nfs/dbraw/zinc/07/93/80/1020079380.db2.gz JCRBWYOUYHRINQ-UHFFFAOYSA-N 0 3 320.392 3.584 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000922702289 1020228077 /nfs/dbraw/zinc/22/80/77/1020228077.db2.gz JQRKFBPGDFYQCE-HUUCEWRRSA-N 0 3 322.408 3.591 20 30 DHEDHN CCCCCCCCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000732442892 1020242659 /nfs/dbraw/zinc/24/26/59/1020242659.db2.gz BPBZAUYSXMXTII-QGZVFWFLSA-N 0 3 309.498 3.615 20 30 DHEDHN N#Cc1ccc(F)c(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000280917619 1020316026 /nfs/dbraw/zinc/31/60/26/1020316026.db2.gz GBNJRQSDYUSBOE-QRQLOZEOSA-N 0 3 316.420 3.603 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001171805689 1032895028 /nfs/dbraw/zinc/89/50/28/1032895028.db2.gz ZUMFVEWZOKRGOE-MRXNPFEDSA-N 0 3 313.401 3.869 20 30 DHEDHN N#CC(C(=O)CC/C=C\c1ccccc1)C(=O)NC1CCCCC1 ZINC000255757564 1020349742 /nfs/dbraw/zinc/34/97/42/1020349742.db2.gz WQSIIWHIRLPOQH-VTSXBNNFSA-N 0 3 324.424 3.638 20 30 DHEDHN C=CC[C@H](CO)N[C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000186688470 1020393737 /nfs/dbraw/zinc/39/37/37/1020393737.db2.gz VAPWEKHJDQBGFJ-PSASIEDQSA-N 0 3 306.258 3.959 20 30 DHEDHN COc1ccc([C@@H]2C[C@@H](NC3(CC#N)CCCC3)CCO2)cc1 ZINC001168629161 1020404662 /nfs/dbraw/zinc/40/46/62/1020404662.db2.gz IFNKREWPFJWVRO-WMZOPIPTSA-N 0 3 314.429 3.731 20 30 DHEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccccc3)oc2C)CC1 ZINC000625321698 1020475544 /nfs/dbraw/zinc/47/55/44/1020475544.db2.gz MAUBTKPTTMBOBU-UHFFFAOYSA-N 0 3 324.424 3.635 20 30 DHEDHN CC[C@](C)(O)CN(Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000188582728 1020600303 /nfs/dbraw/zinc/60/03/03/1020600303.db2.gz FNAYYWNLWZKFRE-SFHVURJKSA-N 0 3 314.454 3.783 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSCCC(C)C)nc21 ZINC000735787408 1020768002 /nfs/dbraw/zinc/76/80/02/1020768002.db2.gz CCWHDXKMXNHFEB-ZDUSSCGKSA-N 0 3 315.442 3.827 20 30 DHEDHN Cc1cccc2nc(C(C#N)C(=O)CSCCC(C)C)[nH]c21 ZINC000735787408 1020768010 /nfs/dbraw/zinc/76/80/10/1020768010.db2.gz CCWHDXKMXNHFEB-ZDUSSCGKSA-N 0 3 315.442 3.827 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000264421493 1032928358 /nfs/dbraw/zinc/92/83/58/1032928358.db2.gz UEPYFFDAWHIMEM-UHFFFAOYSA-N 0 3 321.852 3.810 20 30 DHEDHN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C)CC(C)(C)C#N ZINC000924570003 1020882236 /nfs/dbraw/zinc/88/22/36/1020882236.db2.gz MBOAJIWZFQRNCN-AWEZNQCLSA-N 0 3 310.445 3.907 20 30 DHEDHN C#CCSCCNCc1ccc(-c2c(F)cccc2F)o1 ZINC000740015282 1020928016 /nfs/dbraw/zinc/92/80/16/1020928016.db2.gz XGFLEFURQNXXBE-UHFFFAOYSA-N 0 3 307.365 3.681 20 30 DHEDHN Cc1c([C@H](C)NCC(C)(C)CC#N)cnn1-c1ccc(F)cc1 ZINC000414160698 1020952698 /nfs/dbraw/zinc/95/26/98/1020952698.db2.gz DIXHQRLFNDUUND-ZDUSSCGKSA-N 0 3 314.408 3.910 20 30 DHEDHN CC1(C)CC[C@H](CC(=O)C(C#N)c2nc3ccccc3o2)OC1 ZINC000892553662 1020988127 /nfs/dbraw/zinc/98/81/27/1020988127.db2.gz RHUDAIUOJCDYDR-CHWSQXEVSA-N 0 3 312.369 3.599 20 30 DHEDHN O[C@H](C[C@H]1CCCN1CC#Cc1ccccc1)c1cccs1 ZINC000248886759 1021026512 /nfs/dbraw/zinc/02/65/12/1021026512.db2.gz RBXCPJSMMTWPGD-QZTJIDSGSA-N 0 3 311.450 3.688 20 30 DHEDHN O[C@H](C[C@@H]1CCCCCN1CC#Cc1ccccc1)c1ccco1 ZINC000248904520 1021032356 /nfs/dbraw/zinc/03/23/56/1021032356.db2.gz WEGDLYMTIPTVHR-VQTJNVASSA-N 0 3 323.436 3.999 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(C)C)s2)CC1 ZINC000186225188 1021089768 /nfs/dbraw/zinc/08/97/68/1021089768.db2.gz JUYCVAGRUFXLRR-UHFFFAOYSA-N 0 3 306.475 3.642 20 30 DHEDHN CCc1ccc(CON=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000255919113 1021151909 /nfs/dbraw/zinc/15/19/09/1021151909.db2.gz VIPPBYTYRPYMDG-UHFFFAOYSA-N 0 3 324.424 3.636 20 30 DHEDHN C[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1cccc(C#N)c1 ZINC000181479850 1021199205 /nfs/dbraw/zinc/19/92/05/1021199205.db2.gz JEOZPIWBMQSRFR-MRXNPFEDSA-N 0 3 316.408 3.654 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000743261435 1021250655 /nfs/dbraw/zinc/25/06/55/1021250655.db2.gz HMOZEHCBWNPKOF-HXUWFJFHSA-N 0 3 311.425 3.725 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cccc(CO)c2)c1 ZINC000776311443 1021281076 /nfs/dbraw/zinc/28/10/76/1021281076.db2.gz ZAHJXCIVESZDGT-BEFAXECRSA-N 0 3 324.424 3.711 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(Cl)nc2)c([O-])c1 ZINC000917559807 1021295248 /nfs/dbraw/zinc/29/52/48/1021295248.db2.gz VXJMBWHLFRPNKV-UNOMPAQXSA-N 0 3 317.820 3.906 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000743497394 1021306230 /nfs/dbraw/zinc/30/62/30/1021306230.db2.gz YCZAAQCRLUYQNS-CABCVRRESA-N 0 3 305.381 3.700 20 30 DHEDHN CCOCc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000743496051 1021310985 /nfs/dbraw/zinc/31/09/85/1021310985.db2.gz MVCUXCDLIAYXGK-OAHLLOKOSA-N 0 3 324.424 3.954 20 30 DHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(Br)c1 ZINC000189581430 1021366775 /nfs/dbraw/zinc/36/67/75/1021366775.db2.gz ZJOIFOBXHDXRQS-NSHDSACASA-N 0 3 318.218 3.510 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cccc(OCC)c1 ZINC000068839361 1021395277 /nfs/dbraw/zinc/39/52/77/1021395277.db2.gz WRCKYMOCJFCGFG-HOTGVXAUSA-N 0 3 318.461 3.549 20 30 DHEDHN C[C@@H](NCCOc1ccccc1C#N)c1cccc(F)c1F ZINC000181998832 1021424522 /nfs/dbraw/zinc/42/45/22/1021424522.db2.gz OPYWNVQMDZCDLF-GFCCVEGCSA-N 0 3 302.324 3.566 20 30 DHEDHN CC[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000618571847 1021435830 /nfs/dbraw/zinc/43/58/30/1021435830.db2.gz BTGDAZXKONMWGW-PGRDOPGGSA-N 0 3 312.438 3.537 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCc2cc3cc(Br)ccc3o2)C1 ZINC000850249451 1021454184 /nfs/dbraw/zinc/45/41/84/1021454184.db2.gz CJBRDURPJYMUMB-MFKMUULPSA-N 0 3 319.202 3.977 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1 ZINC000850386128 1021503510 /nfs/dbraw/zinc/50/35/10/1021503510.db2.gz GMTMGKHOXPOZAK-FQEVSTJZSA-N 0 3 321.424 3.519 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc2ccccc2[nH]c1=O ZINC000618742010 1021504428 /nfs/dbraw/zinc/50/44/28/1021504428.db2.gz OYWABDAKNFBQSR-IBGZPJMESA-N 0 3 315.376 3.589 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618801680 1021520738 /nfs/dbraw/zinc/52/07/38/1021520738.db2.gz BNQIZQVEUOKGRG-ZUOKHONESA-N 0 3 319.408 3.855 20 30 DHEDHN COc1cccc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1C ZINC000850417297 1021522775 /nfs/dbraw/zinc/52/27/75/1021522775.db2.gz ZOOMJIWUKGHHLX-AWEZNQCLSA-N 0 3 310.397 3.584 20 30 DHEDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)CCCO3)cc1C#N ZINC000850447114 1021540212 /nfs/dbraw/zinc/54/02/12/1021540212.db2.gz GZXSIXYONMKAKZ-CQSZACIVSA-N 0 3 322.408 3.743 20 30 DHEDHN N#CC(C(=O)CC[C@H]1CC1(Cl)Cl)c1nc2ccccc2[nH]1 ZINC000850738851 1021631938 /nfs/dbraw/zinc/63/19/38/1021631938.db2.gz QQQGZHLLKKYDJV-UWVGGRQHSA-N 0 3 322.195 3.713 20 30 DHEDHN N#CC(C(=O)CC[C@@H]1CC1(Cl)Cl)c1nc2ccccc2[nH]1 ZINC000850738849 1021632656 /nfs/dbraw/zinc/63/26/56/1021632656.db2.gz QQQGZHLLKKYDJV-NXEZZACHSA-N 0 3 322.195 3.713 20 30 DHEDHN N#Cc1cccc(C2(NCCOc3ccccc3Cl)CC2)c1 ZINC000556511290 1021746436 /nfs/dbraw/zinc/74/64/36/1021746436.db2.gz UHDRQLAGCBWJIZ-UHFFFAOYSA-N 0 3 312.800 3.869 20 30 DHEDHN CC(C)C1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000619431182 1021761091 /nfs/dbraw/zinc/76/10/91/1021761091.db2.gz WMKVOMQMXNSLPI-UHFFFAOYSA-N 0 3 308.429 3.552 20 30 DHEDHN COc1cc2c(cc1OC)[C@@H](N[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000619465762 1021765605 /nfs/dbraw/zinc/76/56/05/1021765605.db2.gz YNGBAPISALOCCO-UGSOOPFHSA-N 0 3 322.408 3.914 20 30 DHEDHN COc1ccccc1OCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194957834 1021825761 /nfs/dbraw/zinc/82/57/61/1021825761.db2.gz OORIGSLYHFHUOK-UHFFFAOYSA-N 0 3 322.408 3.610 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000728711540 1021848264 /nfs/dbraw/zinc/84/82/64/1021848264.db2.gz DRZRJVNJJSPWCP-HUUCEWRRSA-N 0 3 310.397 3.837 20 30 DHEDHN C=CCC[C@@H](NCC(=O)NCc1ccccc1C)c1ccccc1 ZINC000538257632 1033020018 /nfs/dbraw/zinc/02/00/18/1033020018.db2.gz GOBDEIALKNRDIM-HXUWFJFHSA-N 0 3 322.452 3.908 20 30 DHEDHN C=CCN(Cc1cc2c(c(Br)c1)OCO2)C(C)C ZINC000920086905 1022041636 /nfs/dbraw/zinc/04/16/36/1022041636.db2.gz RETYDCSNBPXDLJ-UHFFFAOYSA-N 0 3 312.207 3.574 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000237605065 1022462493 /nfs/dbraw/zinc/46/24/93/1022462493.db2.gz LXZXDMHTUKQWPG-BFUOFWGJSA-N 0 3 310.372 3.894 20 30 DHEDHN CN(C)/C=N/c1ccc(NC23CCC(C#N)(CC2)CC3)cc1C#N ZINC001169749751 1022524009 /nfs/dbraw/zinc/52/40/09/1022524009.db2.gz ARKUEKRFWZXLSQ-HYARGMPZSA-N 0 3 321.428 3.808 20 30 DHEDHN C#C[C@H](C)N(C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001169845171 1022565055 /nfs/dbraw/zinc/56/50/55/1022565055.db2.gz SRVNMVGCWICDCQ-AWEZNQCLSA-N 0 3 315.363 3.997 20 30 DHEDHN CC(C)N(C)c1ccc(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000616475755 1022720767 /nfs/dbraw/zinc/72/07/67/1022720767.db2.gz UQQFHHGQYNVTCA-OAHLLOKOSA-N 0 3 308.429 3.649 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000113961352 1022764012 /nfs/dbraw/zinc/76/40/12/1022764012.db2.gz QHQSBJMXUCOOAO-GOSISDBHSA-N 0 3 305.381 3.529 20 30 DHEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000617039517 1022833181 /nfs/dbraw/zinc/83/31/81/1022833181.db2.gz ILDCIOTWSYMGNV-WMZOPIPTSA-N 0 3 300.446 3.613 20 30 DHEDHN Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1C#N ZINC000859164209 1033090734 /nfs/dbraw/zinc/09/07/34/1033090734.db2.gz WJINFHPKGPWMNM-ROUUACIJSA-N 0 3 310.397 3.548 20 30 DHEDHN C=CCN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)C(C)C ZINC000768551035 1022989232 /nfs/dbraw/zinc/98/92/32/1022989232.db2.gz PTOYWRHOBRCHIS-UHFFFAOYSA-N 0 3 305.422 3.825 20 30 DHEDHN Cc1ccc(F)c(CN[C@@H](C)Cc2ccc(C#N)cc2)c1F ZINC001172289266 1033094694 /nfs/dbraw/zinc/09/46/94/1033094694.db2.gz AYSCBODIEKDYNM-ZDUSSCGKSA-N 0 3 300.352 3.866 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)cc1 ZINC000123620895 1023051129 /nfs/dbraw/zinc/05/11/29/1023051129.db2.gz UJEKVQHUSRCROH-KRWDZBQOSA-N 0 3 324.380 3.512 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000876599354 1033103222 /nfs/dbraw/zinc/10/32/22/1033103222.db2.gz YKTSFXSFPKWVPV-SJORKVTESA-N 0 3 318.848 3.525 20 30 DHEDHN Cc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1C#N ZINC000859231981 1033108062 /nfs/dbraw/zinc/10/80/62/1033108062.db2.gz PMFJKJOUWJHHPD-HNNXBMFYSA-N 0 3 305.381 3.620 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000876641408 1033112479 /nfs/dbraw/zinc/11/24/79/1033112479.db2.gz NWLIBNNKEZBHQV-CYBMUJFWSA-N 0 3 312.866 3.986 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCCC)c1ccc(OC)cc1 ZINC000876646305 1033115221 /nfs/dbraw/zinc/11/52/21/1033115221.db2.gz UHPWNPFSNZYHHA-HOTGVXAUSA-N 0 3 324.852 3.513 20 30 DHEDHN CCCCCCC[C@H](CC)n1cnc(CN)c1C(=O)OCC ZINC001172345592 1033128522 /nfs/dbraw/zinc/12/85/22/1033128522.db2.gz AFYSRLITSGMCKM-AWEZNQCLSA-N 0 3 309.454 3.830 20 30 DHEDHN C=CC[C@@H]1CC[C@H](Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000651655293 1023422082 /nfs/dbraw/zinc/42/20/82/1023422082.db2.gz UJWXQLPIYGOGTF-AEFFLSMTSA-N 0 3 314.473 3.800 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccco2)cc1 ZINC000772639633 1023575889 /nfs/dbraw/zinc/57/58/89/1023575889.db2.gz JCRBDNFIVJBMIN-SUMWQHHRSA-N 0 3 324.380 3.683 20 30 DHEDHN N#Cc1ccc(COC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000785722829 1023609619 /nfs/dbraw/zinc/60/96/19/1023609619.db2.gz ZUHVRQGZPGPDGF-UHFFFAOYSA-N 0 3 320.392 3.511 20 30 DHEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCC(C)(C)C)c1 ZINC000786550115 1023709533 /nfs/dbraw/zinc/70/95/33/1023709533.db2.gz UHHCHTVRHOZKFA-INIZCTEOSA-N 0 3 314.429 3.537 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCO2 ZINC000787030015 1023750062 /nfs/dbraw/zinc/75/00/62/1023750062.db2.gz HPYZBHQJSHDSMX-BFUOFWGJSA-N 0 3 304.393 3.831 20 30 DHEDHN C#CC(C)(C)N(C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000787997727 1023836720 /nfs/dbraw/zinc/83/67/20/1023836720.db2.gz QIOJXIUDQBSQLI-UHFFFAOYSA-N 0 3 302.418 3.877 20 30 DHEDHN CCCN(CCC)c1ccc(C=NOC[C@H]2CCOC2)cc1 ZINC000788035356 1023842580 /nfs/dbraw/zinc/84/25/80/1023842580.db2.gz ZLBITGFGWYHYNF-KRWDZBQOSA-N 0 3 304.434 3.700 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCc1ccccc1Cl ZINC000662081299 1023887480 /nfs/dbraw/zinc/88/74/80/1023887480.db2.gz OHQAFSJGGRUTPY-BMFZPTHFSA-N 0 3 318.848 3.528 20 30 DHEDHN CC(C)[C@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000788537956 1023901524 /nfs/dbraw/zinc/90/15/24/1023901524.db2.gz LFZCDGHNVXMEPA-OALUTQOASA-N 0 3 312.388 3.545 20 30 DHEDHN CCn1nc(C)c(CN[C@H]2CCCc3cc(C#N)ccc32)c1C ZINC000341700002 1024051145 /nfs/dbraw/zinc/05/11/45/1024051145.db2.gz SKEROPMDKNQGDM-IBGZPJMESA-N 0 3 308.429 3.559 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000268821385 1024168304 /nfs/dbraw/zinc/16/83/04/1024168304.db2.gz SCEMAXBCLKJFKC-VVYDWRJNSA-N 0 3 312.438 3.707 20 30 DHEDHN C=CC1CCN(CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)CC1 ZINC000531650914 1024254927 /nfs/dbraw/zinc/25/49/27/1024254927.db2.gz RKPHJXNAMVIQDZ-OAHLLOKOSA-N 0 3 318.436 3.633 20 30 DHEDHN C=CCCC[C@H](NC[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC000883216339 1024295384 /nfs/dbraw/zinc/29/53/84/1024295384.db2.gz OLYJBGZDCDCVMY-ROUUACIJSA-N 0 3 321.486 3.641 20 30 DHEDHN C=CCC[C@H](COc1ccccc1)N[C@H](C)c1nccnc1C ZINC000883244701 1024316141 /nfs/dbraw/zinc/31/61/41/1024316141.db2.gz UPEMIPLWQJAWOA-IAGOWNOFSA-N 0 3 311.429 3.849 20 30 DHEDHN Cc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cnc1C ZINC000883342097 1024392185 /nfs/dbraw/zinc/39/21/85/1024392185.db2.gz KNTRTWRJQFLZJO-UHFFFAOYSA-N 0 3 320.440 3.647 20 30 DHEDHN C=C1CCC(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC001126286769 1024426684 /nfs/dbraw/zinc/42/66/84/1024426684.db2.gz VNBCHAXCIXHINY-LJQANCHMSA-N 0 3 312.457 3.514 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000303253234 1024450271 /nfs/dbraw/zinc/45/02/71/1024450271.db2.gz BKCJWOKKPUZSGL-WMZOPIPTSA-N 0 3 321.509 3.541 20 30 DHEDHN C[C@@H](CCCC#N)NCc1cn(Cc2ccccc2Cl)cn1 ZINC001172491756 1033223599 /nfs/dbraw/zinc/22/35/99/1033223599.db2.gz IXSTUBAUPUQLNC-AWEZNQCLSA-N 0 3 316.836 3.757 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C(C1CCC1)C1CCC1 ZINC000796738678 1024668145 /nfs/dbraw/zinc/66/81/45/1024668145.db2.gz MYCQNOFZHXXPRN-HNNXBMFYSA-N 0 3 321.424 3.966 20 30 DHEDHN CN(CCSc1snc(Cl)c1C#N)Cc1ccccc1 ZINC000278991237 1024669217 /nfs/dbraw/zinc/66/92/17/1024669217.db2.gz DUZWUBCZUZGJBZ-UHFFFAOYSA-N 0 3 323.874 3.892 20 30 DHEDHN C[C@@H](CCCC#N)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172499415 1033229117 /nfs/dbraw/zinc/22/91/17/1033229117.db2.gz XBQWHQVEPCALMF-HRCADAONSA-N 0 3 321.465 3.543 20 30 DHEDHN CC[C@@H]1C[C@@H](N2CCC(C#N)(c3ccccc3F)CC2)CCO1 ZINC001170246373 1024710588 /nfs/dbraw/zinc/71/05/88/1024710588.db2.gz UECSCORPOMHWOD-JKSUJKDBSA-N 0 3 316.420 3.640 20 30 DHEDHN C[C@@H](CCCC#N)N1CCN(Cc2ccccc2Cl)CC1 ZINC001172506792 1033233960 /nfs/dbraw/zinc/23/39/60/1033233960.db2.gz JLXMHWKURCABFV-HNNXBMFYSA-N 0 3 305.853 3.540 20 30 DHEDHN CCCCCCCC[C@H](CC)N1CCN(c2ncncn2)CC1 ZINC001172503556 1033232881 /nfs/dbraw/zinc/23/28/81/1033232881.db2.gz YNNFGQFBIWTZEC-KRWDZBQOSA-N 0 3 319.497 3.523 20 30 DHEDHN CC(C)O[C@@H]1C[C@H](NCC#Cc2ccccc2Cl)C1(C)C ZINC001307778618 1024751678 /nfs/dbraw/zinc/75/16/78/1024751678.db2.gz OMARNRDGOINRBQ-DLBZAZTESA-N 0 3 305.849 3.873 20 30 DHEDHN Cc1nc(CNC2CCC(C#N)(c3ccccc3)CC2)c(C)o1 ZINC001170355617 1024751962 /nfs/dbraw/zinc/75/19/62/1024751962.db2.gz MIQRQTIXKIEIMN-UHFFFAOYSA-N 0 3 309.413 3.785 20 30 DHEDHN C=CCSc1ccccc1C(=O)NC[C@@H](C)N1CCCCC1 ZINC000777128235 1033253645 /nfs/dbraw/zinc/25/36/45/1033253645.db2.gz MJKLJNLOTXAGKX-OAHLLOKOSA-N 0 3 318.486 3.569 20 30 DHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc([S@@](C)=O)cc1 ZINC000353264393 1025005137 /nfs/dbraw/zinc/00/51/37/1025005137.db2.gz HBRMHTRLWQZHKV-DOYUUMQYSA-N 0 3 324.449 3.634 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](CCCO)c1ccccc1)CC2 ZINC000353265520 1025007275 /nfs/dbraw/zinc/00/72/75/1025007275.db2.gz YOMATVLAAOUEEL-VQTJNVASSA-N 0 3 306.409 3.649 20 30 DHEDHN CC(C)(F)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC001203328561 1025023059 /nfs/dbraw/zinc/02/30/59/1025023059.db2.gz UWQHFBRZTWRIBQ-UHFFFAOYSA-N 0 3 312.388 3.975 20 30 DHEDHN C=CCCn1cc(CN[C@@H]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000653622529 1025060059 /nfs/dbraw/zinc/06/00/59/1025060059.db2.gz HMEMBCBWLHKQMD-RTBURBONSA-N 0 3 310.445 3.670 20 30 DHEDHN C=C[C@@H](C)NCc1cn(-c2ccccc2Br)nc1C ZINC000655749136 1025172813 /nfs/dbraw/zinc/17/28/13/1025172813.db2.gz QJEOYKQRAZBGBS-LLVKDONJSA-N 0 3 320.234 3.607 20 30 DHEDHN N#CCCn1cc(CN2CCC23CCC3)c(-c2ccccc2)n1 ZINC000353665247 1025186867 /nfs/dbraw/zinc/18/68/67/1025186867.db2.gz JVVWTIFCPHTZRJ-UHFFFAOYSA-N 0 3 306.413 3.592 20 30 DHEDHN CC[C@H](Cc1ccc2c(c1)OCO2)N(CCC#N)C1CCCC1 ZINC001170442249 1025216179 /nfs/dbraw/zinc/21/61/79/1025216179.db2.gz KLBWXMSARFQKEA-MRXNPFEDSA-N 0 3 314.429 3.895 20 30 DHEDHN C=CCC[C@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccco1 ZINC000796960498 1025232718 /nfs/dbraw/zinc/23/27/18/1025232718.db2.gz FAFZGZLOTXFTAF-KBPBESRZSA-N 0 3 308.422 3.790 20 30 DHEDHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@@H](O)CC1(C#N)CCC1 ZINC001168234056 1025360229 /nfs/dbraw/zinc/36/02/29/1025360229.db2.gz JSUFHLDJUONOJJ-KEYYUXOJSA-N 0 3 316.420 3.578 20 30 DHEDHN N#CCCCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000126055126 1025501712 /nfs/dbraw/zinc/50/17/12/1025501712.db2.gz YAERPPSZZHZFCJ-UHFFFAOYSA-N 0 3 317.436 3.678 20 30 DHEDHN CC[C@@H]1C[C@@H](N[C@@H](C)CC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170475039 1025531354 /nfs/dbraw/zinc/53/13/54/1025531354.db2.gz MGCMQIQMRYXZLK-YHUYYLMFSA-N 0 3 323.481 3.835 20 30 DHEDHN N#CC1(c2ccccc2)CC(N[C@H]2CCO[C@H]2c2ccccc2)C1 ZINC000127502470 1025541701 /nfs/dbraw/zinc/54/17/01/1025541701.db2.gz JRNPFYMUKIMEKW-OMYXNUHHSA-N 0 3 318.420 3.730 20 30 DHEDHN COc1cc(CNCc2ccc(SC)c(C#N)c2)ccc1C ZINC000886277413 1025576028 /nfs/dbraw/zinc/57/60/28/1025576028.db2.gz PXLCGEWBBDFBCD-UHFFFAOYSA-N 0 3 312.438 3.887 20 30 DHEDHN C#CCSCCN[C@@H](C)c1ccc(Br)cc1F ZINC000219192450 1025600854 /nfs/dbraw/zinc/60/08/54/1025600854.db2.gz GUNPOXYRSAQUBZ-JTQLQIEISA-N 0 3 316.239 3.605 20 30 DHEDHN CC[C@H](c1ccccc1)N(CC)Cc1cnc2c(C#N)cnn2c1 ZINC000573564244 1025725885 /nfs/dbraw/zinc/72/58/85/1025725885.db2.gz BAWUFUMJBZGRMJ-GOSISDBHSA-N 0 3 319.412 3.574 20 30 DHEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@H](CO)c1ccccc1 ZINC000614164793 1025786918 /nfs/dbraw/zinc/78/69/18/1025786918.db2.gz ZFKCQPHWOOMBRD-LJQANCHMSA-N 0 3 308.425 3.653 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2nc(Cl)ccc21 ZINC000806164143 1025822136 /nfs/dbraw/zinc/82/21/36/1025822136.db2.gz ZLBXADIPQCXMPY-JKSUJKDBSA-N 0 3 309.800 3.871 20 30 DHEDHN CC(C)[C@@H]1CCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075747719 1025849986 /nfs/dbraw/zinc/84/99/86/1025849986.db2.gz YTHOGEKQLFNJIN-INIZCTEOSA-N 0 3 310.401 3.619 20 30 DHEDHN C=CCCC[C@@H](NCc1nc(CSC)n[nH]1)c1ccccc1 ZINC000886759610 1025880482 /nfs/dbraw/zinc/88/04/82/1025880482.db2.gz KPGXOHLVEWESIE-OAHLLOKOSA-N 0 3 316.474 3.855 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\CC(C)(C)CCC#N)c([O-])c1 ZINC000806550472 1025907788 /nfs/dbraw/zinc/90/77/88/1025907788.db2.gz CLWJZAYGRXZEPD-MOSHPQCFSA-N 0 3 301.434 3.987 20 30 DHEDHN N#CC(C(=O)c1cc2c(s1)CCC2)c1nc2ccccc2[nH]1 ZINC000060488167 1025928058 /nfs/dbraw/zinc/92/80/58/1025928058.db2.gz OZRJQXHHFACFSB-NSHDSACASA-N 0 3 307.378 3.603 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886830546 1025952946 /nfs/dbraw/zinc/95/29/46/1025952946.db2.gz SYOBBPZKJMPFRV-RDJZCZTQSA-N 0 3 323.358 3.558 20 30 DHEDHN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CCC1(F)F ZINC000356257222 1025994924 /nfs/dbraw/zinc/99/49/24/1025994924.db2.gz KFFBNJYEFLHNGJ-CQSZACIVSA-N 0 3 308.372 3.846 20 30 DHEDHN CSCCCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356293846 1026010333 /nfs/dbraw/zinc/01/03/33/1026010333.db2.gz FWPFDIWXBUVYRA-UHFFFAOYSA-N 0 3 302.365 3.762 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000237506127 1026016472 /nfs/dbraw/zinc/01/64/72/1026016472.db2.gz CDMJUBHLGWPAQB-KXBFYZLASA-N 0 3 322.408 3.981 20 30 DHEDHN C=CCOc1ccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000356526670 1026078031 /nfs/dbraw/zinc/07/80/31/1026078031.db2.gz ONJMRTQAPFHFOF-OALUTQOASA-N 0 3 313.441 3.785 20 30 DHEDHN CC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CC1(C)C ZINC000419318641 1026149445 /nfs/dbraw/zinc/14/94/45/1026149445.db2.gz NXBGXNPBOCTTCV-HUUCEWRRSA-N 0 3 310.401 3.523 20 30 DHEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000532968079 1026152693 /nfs/dbraw/zinc/15/26/93/1026152693.db2.gz ROHUGCXTBFIDKY-HNNXBMFYSA-N 0 3 304.434 3.700 20 30 DHEDHN CC[C@H](CNCc1ccc(C#N)cc1F)Oc1ccccc1F ZINC000532987321 1026164704 /nfs/dbraw/zinc/16/47/04/1026164704.db2.gz VQGOSUHXVAGVMX-OAHLLOKOSA-N 0 3 316.351 3.784 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCCSC1 ZINC000808429922 1026301297 /nfs/dbraw/zinc/30/12/97/1026301297.db2.gz AATDTKWUOKSTQV-CYBMUJFWSA-N 0 3 309.862 3.585 20 30 DHEDHN C#C[C@H](N[C@@H]1CCCc2c3cc(C)ccc3[nH]c21)[C@H]1CCCO1 ZINC000808715911 1026365579 /nfs/dbraw/zinc/36/55/79/1026365579.db2.gz YTDIUDMCDLVLQO-QXAKKESOSA-N 0 3 308.425 3.624 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2scnc2C)c([O-])c1 ZINC000729148502 1026382577 /nfs/dbraw/zinc/38/25/77/1026382577.db2.gz BFZYNHQWCBXEKE-MFOYZWKCSA-N 0 3 303.431 3.622 20 30 DHEDHN N#CCOc1ccc(Cl)cc1CN1CCC[C@H](C2CC2)C1 ZINC000808777983 1026392426 /nfs/dbraw/zinc/39/24/26/1026392426.db2.gz IUUBXXBETSOJOX-AWEZNQCLSA-N 0 3 304.821 3.864 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(NC(=O)CCC)c2)cc1 ZINC000809606506 1026562050 /nfs/dbraw/zinc/56/20/50/1026562050.db2.gz UYVOFHOWOCAQMY-UHFFFAOYSA-N 0 3 306.409 3.696 20 30 DHEDHN C#Cc1ccc(CNCc2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000809613416 1026562601 /nfs/dbraw/zinc/56/26/01/1026562601.db2.gz UKOFLYUDIKRNKD-UHFFFAOYSA-N 0 3 315.800 3.628 20 30 DHEDHN C#Cc1ccc(CN[C@H](CC)c2ccc3c(c2)OCCO3)cc1 ZINC000809608021 1026563478 /nfs/dbraw/zinc/56/34/78/1026563478.db2.gz GPMYAYNAHCGNEC-GOSISDBHSA-N 0 3 307.393 3.680 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000809729330 1026594894 /nfs/dbraw/zinc/59/48/94/1026594894.db2.gz SKEIZLVTDRGMRN-DNVCBOLYSA-N 0 3 307.397 3.710 20 30 DHEDHN C=C(C)CN1CCC([NH2+][C@H](CC)c2ccc(C)cc2[O-])CC1 ZINC000280193651 1026608463 /nfs/dbraw/zinc/60/84/63/1026608463.db2.gz SJOWQPVCESRJEX-GOSISDBHSA-N 0 3 302.462 3.782 20 30 DHEDHN CC[C@@H](c1ccncc1)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809765107 1026620303 /nfs/dbraw/zinc/62/03/03/1026620303.db2.gz LBLWEHSEXOVBLA-KXBFYZLASA-N 0 3 309.413 3.956 20 30 DHEDHN C#C[C@H](NCc1cc(OC)c(OC)cc1SC)C(C)(C)C ZINC000809783259 1026624258 /nfs/dbraw/zinc/62/42/58/1026624258.db2.gz WPKRNWQYPLLSPG-INIZCTEOSA-N 0 3 307.459 3.563 20 30 DHEDHN C#CCCOc1ccc(CN(C)Cc2ccccc2N(C)C)cc1 ZINC000809789151 1026627519 /nfs/dbraw/zinc/62/75/19/1026627519.db2.gz ZHVWHMVYAXYATM-UHFFFAOYSA-N 0 3 322.452 3.787 20 30 DHEDHN N#Cc1csc(CN[C@H]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000810147034 1026693278 /nfs/dbraw/zinc/69/32/78/1026693278.db2.gz ZGKJWZWHGLEGHB-GJZGRUSLSA-N 0 3 301.390 3.580 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420956417 1026892018 /nfs/dbraw/zinc/89/20/18/1026892018.db2.gz YEEZTAABHOXVEE-CYBMUJFWSA-N 0 3 312.335 3.601 20 30 DHEDHN N#Cc1ccc(F)c(CNCCc2ccc(F)cc2Cl)c1 ZINC000811482832 1027008674 /nfs/dbraw/zinc/00/86/74/1027008674.db2.gz UFIRKXISKVLKRV-UHFFFAOYSA-N 0 3 306.743 3.822 20 30 DHEDHN COc1ccc(C(C)=NOC/C=C\Cl)cc1CN1CCCC1 ZINC000811669078 1027058160 /nfs/dbraw/zinc/05/81/60/1027058160.db2.gz BNVBETFZXMDKRC-RPVLYLTJSA-N 0 3 322.836 3.784 20 30 DHEDHN COCCN(Cc1cc(C#N)ccc1F)C[C@H]1CC=CCC1 ZINC000362244062 1027111640 /nfs/dbraw/zinc/11/16/40/1027111640.db2.gz IRJIVLHRMJICIR-HNNXBMFYSA-N 0 3 302.393 3.502 20 30 DHEDHN CN(Cc1cnc2ccc(C#N)cn12)C1CC(c2ccccc2)C1 ZINC000362385835 1027178948 /nfs/dbraw/zinc/17/89/48/1027178948.db2.gz JNHFTKQLKWUUKX-UHFFFAOYSA-N 0 3 316.408 3.584 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000931648381 1027203349 /nfs/dbraw/zinc/20/33/49/1027203349.db2.gz NHAIGVHFBABAKH-XPGWFJOJSA-N 0 3 303.409 3.582 20 30 DHEDHN C#C[C@H](N[C@@H](C)CCc1n[nH]c2ccccc12)c1ccc(F)cc1 ZINC000812795261 1027422982 /nfs/dbraw/zinc/42/29/82/1027422982.db2.gz PEGDOCDMBQSPCQ-KSSFIOAISA-N 0 3 321.399 3.987 20 30 DHEDHN N#Cc1ccc2c(c1)CCN([C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170689188 1027439805 /nfs/dbraw/zinc/43/98/05/1027439805.db2.gz HSCMQOPQOUQZKI-GOSISDBHSA-N 0 3 324.374 3.752 20 30 DHEDHN CCN(Cc1cccc(C#N)c1F)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848241 1027446033 /nfs/dbraw/zinc/44/60/33/1027446033.db2.gz IMCQINDTHUXJFY-IFXJQAMLSA-N 0 3 312.388 3.641 20 30 DHEDHN N#Cc1ccc2c(c1)CN([C@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001170689497 1027455916 /nfs/dbraw/zinc/45/59/16/1027455916.db2.gz KSTZGYWNZSTEKQ-SFHVURJKSA-N 0 3 324.374 3.752 20 30 DHEDHN COc1cccc(C2(N[C@@H]3CCc4ccc(C#N)cc43)CC2)c1 ZINC000576867683 1027669196 /nfs/dbraw/zinc/66/91/96/1027669196.db2.gz RIPITOHONJRBPM-LJQANCHMSA-N 0 3 304.393 3.833 20 30 DHEDHN COc1cccc(C2(N[C@H]3CCc4ccc(C#N)cc43)CC2)c1 ZINC000576867674 1027669389 /nfs/dbraw/zinc/66/93/89/1027669389.db2.gz RIPITOHONJRBPM-IBGZPJMESA-N 0 3 304.393 3.833 20 30 DHEDHN C#CCC1(N[C@H](C)C(=O)Nc2c(C)cccc2Cl)CCC1 ZINC000933294002 1027710231 /nfs/dbraw/zinc/71/02/31/1027710231.db2.gz OARODOAUYTVKEG-CYBMUJFWSA-N 0 3 304.821 3.511 20 30 DHEDHN CC[C@@H](c1ccc(F)cc1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000933651650 1027789031 /nfs/dbraw/zinc/78/90/31/1027789031.db2.gz NOHZKPRAPBCUQZ-KRWDZBQOSA-N 0 3 303.377 3.615 20 30 DHEDHN N#C[C@@H]1CCC[C@@H](NCc2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000365488064 1027955417 /nfs/dbraw/zinc/95/54/17/1027955417.db2.gz CVWFZESQFHXKAZ-CZUORRHYSA-N 0 3 314.820 3.698 20 30 DHEDHN CC[C@@H](N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000601300152 1028066507 /nfs/dbraw/zinc/06/65/07/1028066507.db2.gz CVIWTZHDSJPACE-ILXRZTDVSA-N 0 3 314.351 3.547 20 30 DHEDHN CC(C)(CCC#N)CN1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000367467507 1028188964 /nfs/dbraw/zinc/18/89/64/1028188964.db2.gz PYEFLSKHDWHOOJ-SFHVURJKSA-N 0 3 308.429 3.618 20 30 DHEDHN C=CCN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000159769045 1028220415 /nfs/dbraw/zinc/22/04/15/1028220415.db2.gz JQXFFMCSTHLSOT-UHFFFAOYSA-N 0 3 313.397 3.598 20 30 DHEDHN N#CCCCCN1CCCc2c(Br)cccc2C1 ZINC000368779832 1028406133 /nfs/dbraw/zinc/40/61/33/1028406133.db2.gz PEQQGJMAVTUVDL-UHFFFAOYSA-N 0 3 307.235 3.891 20 30 DHEDHN CCC[C@H](C)CC[C@@H](C)N1CCC(C#N)(C(=O)OCC)CC1 ZINC001257486266 1028413872 /nfs/dbraw/zinc/41/38/72/1028413872.db2.gz UJVMYGCHSNTEBF-JKSUJKDBSA-N 0 3 308.466 3.760 20 30 DHEDHN CCCOc1ccc(CNCc2ccc(CC#N)cc2)cc1OC ZINC000564961173 1028521834 /nfs/dbraw/zinc/52/18/34/1028521834.db2.gz NFMFXPPLYXGJNI-UHFFFAOYSA-N 0 3 324.424 3.840 20 30 DHEDHN C=CCOCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000815615431 1028569620 /nfs/dbraw/zinc/56/96/20/1028569620.db2.gz PMRJDLBWFUCUBH-IBGZPJMESA-N 0 3 311.425 3.858 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@H](c3ccc(F)cc3)CC2)nc1 ZINC000565312187 1028571497 /nfs/dbraw/zinc/57/14/97/1028571497.db2.gz PDNKRPDHCQVOFN-INIZCTEOSA-N 0 3 309.388 3.862 20 30 DHEDHN N#Cc1ccc([C@H](O)CN2CC=C(c3cccc(F)c3)CC2)cc1 ZINC000370557346 1028617580 /nfs/dbraw/zinc/61/75/80/1028617580.db2.gz KGUZULRRJRXAIE-HXUWFJFHSA-N 0 3 322.383 3.520 20 30 DHEDHN COc1cccc([C@@H]2CN(Cc3ccc(C#N)cn3)CC2(C)C)c1 ZINC000528628270 1028619788 /nfs/dbraw/zinc/61/97/88/1028619788.db2.gz YDYNAPJEVNKFJX-IBGZPJMESA-N 0 3 321.424 3.587 20 30 DHEDHN C=CC[C@@H](C)[C@H](C)NCc1nc(C)c(Br)s1 ZINC000449402775 1028621161 /nfs/dbraw/zinc/62/11/61/1028621161.db2.gz SKOXXZGVBUBXKD-BDAKNGLRSA-N 0 3 303.269 3.904 20 30 DHEDHN N#Cc1csc(CN[C@H]2CCCC[C@H]2CC(F)(F)F)n1 ZINC000449434022 1028637084 /nfs/dbraw/zinc/63/70/84/1028637084.db2.gz OWSPDXLMPASHJG-ONGXEEELSA-N 0 3 303.353 3.616 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OC(C)C)cc2)n1 ZINC000041520618 1028742648 /nfs/dbraw/zinc/74/26/48/1028742648.db2.gz XBYODOOEUHUSMO-CQSZACIVSA-N 0 3 300.383 3.729 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2c(F)cccc2F)s1 ZINC000449517241 1028743108 /nfs/dbraw/zinc/74/31/08/1028743108.db2.gz DZYKFKXZEHUOBP-KGLIPLIRSA-N 0 3 322.380 3.521 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1Cl ZINC000566562038 1028743542 /nfs/dbraw/zinc/74/35/42/1028743542.db2.gz AUQLHBLNLGRYOZ-ZBFHGGJFSA-N 0 3 307.821 3.516 20 30 DHEDHN COc1ccccc1CCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000041547620 1028750363 /nfs/dbraw/zinc/75/03/63/1028750363.db2.gz BTJXBSMSAQUDKE-CQSZACIVSA-N 0 3 320.348 3.645 20 30 DHEDHN C#CCCOc1ccc(CN2CC[C@@H](O)c3ccccc3C2)cc1 ZINC000371870671 1028770780 /nfs/dbraw/zinc/77/07/80/1028770780.db2.gz RVVSQCMMUGNINU-OAQYLSRUSA-N 0 3 321.420 3.528 20 30 DHEDHN CC1(C)[C@H](c2cccc(F)c2)CCN1Cc1ccc(C#N)cn1 ZINC000528768878 1028785113 /nfs/dbraw/zinc/78/51/13/1028785113.db2.gz DMQKPORMZUZZHW-SFHVURJKSA-N 0 3 309.388 3.860 20 30 DHEDHN CCC#C[C@@H](C)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000752853594 1028798684 /nfs/dbraw/zinc/79/86/84/1028798684.db2.gz CUFLXVAHOBVLRS-KDOFPFPSSA-N 0 3 305.849 3.887 20 30 DHEDHN C[C@@H](N[C@H]1CCSC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372056351 1028799998 /nfs/dbraw/zinc/79/99/98/1028799998.db2.gz NEPDESPJJAUFDS-RISCZKNCSA-N 0 3 315.467 3.838 20 30 DHEDHN N#CC1(CN[C@H]2CCc3ccc(Br)cc3C2)CCC1 ZINC001170846011 1029024662 /nfs/dbraw/zinc/02/46/62/1029024662.db2.gz WKTWLHBTPHLVFT-HNNXBMFYSA-N 0 3 319.246 3.590 20 30 DHEDHN C=CC[C@@H]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000628405797 1029042477 /nfs/dbraw/zinc/04/24/77/1029042477.db2.gz UXIPCBQPHGXEOU-GFCCVEGCSA-N 0 3 303.356 3.753 20 30 DHEDHN CC[C@@H](CC#N)N[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170856512 1029097576 /nfs/dbraw/zinc/09/75/76/1029097576.db2.gz MXXMTVLZSVITIW-LSDHHAIUSA-N 0 3 307.235 3.588 20 30 DHEDHN CC(C)c1nccn1[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000373812649 1029140325 /nfs/dbraw/zinc/14/03/25/1029140325.db2.gz NYGZLDUOVBTZRJ-LJQANCHMSA-N 0 3 307.441 3.695 20 30 DHEDHN CN(CCOCc1ccc(C#N)cc1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411737046 1029193999 /nfs/dbraw/zinc/19/39/99/1029193999.db2.gz OJPZIRFEIOUEJH-PMACEKPBSA-N 0 3 324.399 3.702 20 30 DHEDHN CCS[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569813229 1029270737 /nfs/dbraw/zinc/27/07/37/1029270737.db2.gz AUJDTQPYTTUERN-GOEBONIOSA-N 0 3 319.430 3.620 20 30 DHEDHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CCCC1 ZINC000450278441 1029324168 /nfs/dbraw/zinc/32/41/68/1029324168.db2.gz RTPVMMCNZYNLMM-QZTJIDSGSA-N 0 3 312.457 3.685 20 30 DHEDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1CC1(C#N)CCC1 ZINC000450626965 1029574961 /nfs/dbraw/zinc/57/49/61/1029574961.db2.gz VZLQESOLLQVJJS-INIZCTEOSA-N 0 3 308.429 3.503 20 30 DHEDHN CC(C)(C#N)CCN1CCCN(c2ccccc2Cl)CC1 ZINC000451003472 1029762827 /nfs/dbraw/zinc/76/28/27/1029762827.db2.gz UWBQBCJUYIAESB-UHFFFAOYSA-N 0 3 305.853 3.792 20 30 DHEDHN CCOc1cc(F)cc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000865546477 1029910554 /nfs/dbraw/zinc/91/05/54/1029910554.db2.gz VIUKFIAOVMIGKS-IBGZPJMESA-N 0 3 310.372 3.873 20 30 DHEDHN N#CCCCCN1CC[C@H](c2cccc(Br)c2)C1 ZINC000451567128 1029919174 /nfs/dbraw/zinc/91/91/74/1029919174.db2.gz KWDOMWFTDXYAAM-AWEZNQCLSA-N 0 3 307.235 3.932 20 30 DHEDHN COC(=O)c1ccc(C(=N)Nc2c(C)c(C)cc(C)c2C)cc1 ZINC001170984629 1029989734 /nfs/dbraw/zinc/98/97/34/1029989734.db2.gz DAYYVSJOKZMNPG-UHFFFAOYSA-N 0 3 310.397 3.744 20 30 DHEDHN CC(C)(C)C[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000452069356 1030110515 /nfs/dbraw/zinc/11/05/15/1030110515.db2.gz DTVGRMMMFTZVLV-OAHLLOKOSA-N 0 3 324.428 3.866 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NCc1ccnc(OC2CCCC2)c1 ZINC000924648731 1030150349 /nfs/dbraw/zinc/15/03/49/1030150349.db2.gz NRJCTPLDBXUFKQ-AWEZNQCLSA-N 0 3 301.434 3.821 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)c1c(F)cccc1F ZINC000823617753 1030341880 /nfs/dbraw/zinc/34/18/80/1030341880.db2.gz MFJVEABHPLEVEH-PXAZEXFGSA-N 0 3 316.351 3.563 20 30 DHEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)C2(Cl)CC2)ccc1OC ZINC000925396476 1030355215 /nfs/dbraw/zinc/35/52/15/1030355215.db2.gz KWFYZSXHISCSOD-GXTWGEPZSA-N 0 3 322.836 3.626 20 30 DHEDHN CC#CCN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533500794 1030403125 /nfs/dbraw/zinc/40/31/25/1030403125.db2.gz CBAKNNIGVHTULW-CQSZACIVSA-N 0 3 315.804 3.593 20 30 DHEDHN CCCN(CCC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000867631986 1030469063 /nfs/dbraw/zinc/46/90/63/1030469063.db2.gz UFEDWOCAUZABDZ-CYBMUJFWSA-N 0 3 315.442 3.595 20 30 DHEDHN C[C@H](NC[C@@H](c1cccs1)N(C)C)c1ccc(C#N)cc1F ZINC000358576318 1030544843 /nfs/dbraw/zinc/54/48/43/1030544843.db2.gz TYSARGZORNSXOS-LRDDRELGSA-N 0 3 317.433 3.712 20 30 DHEDHN CCc1cnc(CCN[C@H](C)c2ccc(C#N)cc2F)s1 ZINC000358593596 1030550973 /nfs/dbraw/zinc/55/09/73/1030550973.db2.gz RRWVYPGRPWCTDM-LLVKDONJSA-N 0 3 303.406 3.610 20 30 DHEDHN CC[C@H](CC#N)N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000248777400 1030766001 /nfs/dbraw/zinc/76/60/01/1030766001.db2.gz ZGUSWYQQFOSCPS-NUEKZKHPSA-N 0 3 301.390 3.588 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)NCc1c(Cl)cccc1-n1ccnc1 ZINC000926496415 1030766116 /nfs/dbraw/zinc/76/61/16/1030766116.db2.gz CQQHROTZEUTERZ-ZDUSSCGKSA-N 0 3 316.836 3.944 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H]1c1ccc(C)s1 ZINC000359095498 1030775653 /nfs/dbraw/zinc/77/56/53/1030775653.db2.gz MOUHJEZPPBDPLG-JKSUJKDBSA-N 0 3 318.486 3.783 20 30 DHEDHN N#Cc1cc(Br)ccc1CNC1(C2CCC2)CC1 ZINC000593080671 1030871754 /nfs/dbraw/zinc/87/17/54/1030871754.db2.gz KPFDRFKLHFVXKE-UHFFFAOYSA-N 0 3 305.219 3.743 20 30 DHEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000292282119 1030921370 /nfs/dbraw/zinc/92/13/70/1030921370.db2.gz BUJUZAQRNFTTTR-DIFFPNOSSA-N 0 3 316.401 3.551 20 30 DHEDHN COc1cc(C)cc(C(=O)C(C#N)c2nc(C)cs2)c1C ZINC000870116389 1030927225 /nfs/dbraw/zinc/92/72/25/1030927225.db2.gz FFGYKFHHUNNALE-ZDUSSCGKSA-N 0 3 300.383 3.567 20 30 DHEDHN Cc1ccc(CN[C@H](C)c2ccc(C(C)(C)O)cc2)cc1C#N ZINC000926966972 1031018689 /nfs/dbraw/zinc/01/86/89/1031018689.db2.gz OYFMIRABEOVXJR-OAHLLOKOSA-N 0 3 308.425 3.945 20 30 DHEDHN C[C@@H](NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1cc(C#N)ccn1 ZINC000926975701 1031024323 /nfs/dbraw/zinc/02/43/23/1031024323.db2.gz FCDARDRDOCRYLY-SRCQZFHVSA-N 0 3 313.351 3.653 20 30 DHEDHN Cn1nc(C2CC2)cc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000927103187 1031092038 /nfs/dbraw/zinc/09/20/38/1031092038.db2.gz YYTKAWIUAZSKOL-IBGZPJMESA-N 0 3 320.440 3.726 20 30 DHEDHN Cc1nc(NC[C@H](C)N2CCCC[C@@H]2C)c(Cl)cc1C#N ZINC000359907690 1031189253 /nfs/dbraw/zinc/18/92/53/1031189253.db2.gz XAKSAYOYKDJGTQ-RYUDHWBXSA-N 0 3 306.841 3.590 20 30 DHEDHN N#Cc1cc(Cl)ccc1CN1CCC[C@H]1C1CCOCC1 ZINC000360139410 1031289543 /nfs/dbraw/zinc/28/95/43/1031289543.db2.gz KYOCPKBZXTWBSB-KRWDZBQOSA-N 0 3 304.821 3.603 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2ccccc2C(C)(F)F)CC1 ZINC000455807533 1031349128 /nfs/dbraw/zinc/34/91/28/1031349128.db2.gz MTHFEUFCROQMME-UHFFFAOYSA-N 0 3 323.387 3.570 20 30 DHEDHN CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000360336240 1031383187 /nfs/dbraw/zinc/38/31/87/1031383187.db2.gz JPUFJMKQKSTUBI-HOCLYGCPSA-N 0 3 310.401 3.667 20 30 DHEDHN Cc1cccc(C)c1NC(=O)CN(C)CC1CCC(C#N)CC1 ZINC000929245970 1031474296 /nfs/dbraw/zinc/47/42/96/1031474296.db2.gz CIJYXAWDTAFZGV-UHFFFAOYSA-N 0 3 313.445 3.504 20 30 DHEDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)CC#N ZINC000872079495 1031476893 /nfs/dbraw/zinc/47/68/93/1031476893.db2.gz NRERYFLYMGCUHY-LLVKDONJSA-N 0 3 307.419 3.907 20 30 DHEDHN C=C(CN[C@H]1CCC(=O)Nc2ccc(F)cc21)c1ccccc1 ZINC000360582789 1031479160 /nfs/dbraw/zinc/47/91/60/1031479160.db2.gz UQPYJPSCKKEKOZ-KRWDZBQOSA-N 0 3 310.372 3.902 20 30 DHEDHN C=CC[C@@H](CO)CNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000537023145 1031490093 /nfs/dbraw/zinc/49/00/93/1031490093.db2.gz NFMDTVQJUUVCHR-GFCCVEGCSA-N 0 3 322.861 3.738 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000537085082 1031501649 /nfs/dbraw/zinc/50/16/49/1031501649.db2.gz KSNOQLWUKSVYEH-IRXDYDNUSA-N 0 3 300.446 3.543 20 30 DHEDHN N#Cc1cccc(CN2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000360668573 1031512328 /nfs/dbraw/zinc/51/23/28/1031512328.db2.gz IBZZYABAQDXDBP-HXUWFJFHSA-N 0 3 304.393 3.580 20 30 DHEDHN C=CCC[C@H](NCC(=O)NC1CCCCC1)c1ccccc1 ZINC000537156318 1031518307 /nfs/dbraw/zinc/51/83/07/1031518307.db2.gz GCABNMAMECPWRN-SFHVURJKSA-N 0 3 300.446 3.732 20 30 DHEDHN COc1c(F)cc(F)cc1CN[C@@H](C)Cc1cccc(C#N)c1 ZINC001171176912 1031546416 /nfs/dbraw/zinc/54/64/16/1031546416.db2.gz XJUDXVYRMGITMW-LBPRGKRZSA-N 0 3 316.351 3.566 20 30 DHEDHN C[C@@H]1C[C@H](CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)C[C@H](C)O1 ZINC000929758577 1031600833 /nfs/dbraw/zinc/60/08/33/1031600833.db2.gz ZKCVRQZCTGYVLQ-NIMBFUQJSA-N 0 3 312.457 3.962 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)NCc1c(F)cc(F)cc1F ZINC001171186129 1031612365 /nfs/dbraw/zinc/61/23/65/1031612365.db2.gz UEOHTNBOIZXZML-NSHDSACASA-N 0 3 304.315 3.696 20 30 DHEDHN Cc1ccc(Br)c(F)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000873133293 1031720058 /nfs/dbraw/zinc/72/00/58/1031720058.db2.gz FAMGFPXEOPHZCY-WDEREUQCSA-N 0 3 311.198 3.679 20 30 DHEDHN CC(C)(C)OC1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000873149584 1031724754 /nfs/dbraw/zinc/72/47/54/1031724754.db2.gz DIXPCRMHPJXENS-UHFFFAOYSA-N 0 3 304.409 3.913 20 30 DHEDHN C=CCC[C@@H](NCc1cncc(C(=O)OC)c1)c1ccccc1 ZINC000930230187 1031746995 /nfs/dbraw/zinc/74/69/95/1031746995.db2.gz UVPSBXKAPLVBIQ-GOSISDBHSA-N 0 3 310.397 3.665 20 30 DHEDHN C#CCCCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845880677 1031751216 /nfs/dbraw/zinc/75/12/16/1031751216.db2.gz XSZNPAZDXLLMOR-CXAGYDPISA-N 0 3 321.348 3.659 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@H](c1ncccc1F)C1CC1 ZINC001171201587 1031760886 /nfs/dbraw/zinc/76/08/86/1031760886.db2.gz NOKCSXAFWZEVGM-UGSOOPFHSA-N 0 3 309.388 3.764 20 30 DHEDHN CN(C)[C@@H](CNc1c(Cl)cccc1C#N)c1ccsc1 ZINC000361162577 1031764855 /nfs/dbraw/zinc/76/48/55/1031764855.db2.gz UEVQBQFVRVCXSP-AWEZNQCLSA-N 0 3 305.834 3.988 20 30 DHEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1CCC=CCC1 ZINC000873498067 1031847450 /nfs/dbraw/zinc/84/74/50/1031847450.db2.gz RNUWFXVKSUFGBP-ZDUSSCGKSA-N 0 3 316.788 3.734 20 30 DHEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1cnn(Cc2ccccc2)c1 ZINC000361436446 1031924226 /nfs/dbraw/zinc/92/42/26/1031924226.db2.gz WHKZRUWRZYILML-WDYCEAGBSA-N 0 3 308.429 3.664 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N1CCOC[C@H]1C1CCCCC1 ZINC001171231663 1032002185 /nfs/dbraw/zinc/00/21/85/1032002185.db2.gz KQDXQCSVIUWSPX-JXFKEZNVSA-N 0 3 312.457 3.770 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000361648380 1032033776 /nfs/dbraw/zinc/03/37/76/1032033776.db2.gz QOMWLIVNHKYVKG-CQSZACIVSA-N 0 3 309.394 3.743 20 30 DHEDHN N#Cc1cnc(Cl)c(CN[C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000877496683 1033324461 /nfs/dbraw/zinc/32/44/61/1033324461.db2.gz VZRDDPXAJFCLMM-MQMHXKEQSA-N 0 3 315.779 3.782 20 30 DHEDHN CCC[C@H]1CN(Cc2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC000539402286 1033346944 /nfs/dbraw/zinc/34/69/44/1033346944.db2.gz FRTXOLAQRYFNNE-SFHVURJKSA-N 0 3 323.440 3.638 20 30 DHEDHN CN(CCc1cccc(C#N)c1)CC1=Cc2ccccc2OC1 ZINC000877703619 1033419223 /nfs/dbraw/zinc/41/92/23/1033419223.db2.gz AZRIZBKESCDSLB-UHFFFAOYSA-N 0 3 304.393 3.509 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@](C)(C(F)(F)F)C2)cc1 ZINC000877812156 1033463879 /nfs/dbraw/zinc/46/38/79/1033463879.db2.gz IGZUYCPZCXUXKU-SWLSCSKDSA-N 0 3 312.335 3.752 20 30 DHEDHN C=C(C)[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000478922199 1033610932 /nfs/dbraw/zinc/61/09/32/1033610932.db2.gz WYCBHFUQZPFODA-JCGVRSQUSA-N 0 3 322.399 3.571 20 30 DHEDHN C#CCCCCCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000878256026 1033638906 /nfs/dbraw/zinc/63/89/06/1033638906.db2.gz FBPAOCPZBKHJKC-UHFFFAOYSA-N 0 3 300.446 3.757 20 30 DHEDHN Cc1ccc2[nH]c([C@@H]3CCCN(Cc4ccc(C#N)o4)C3)nc2c1 ZINC000878323402 1033657884 /nfs/dbraw/zinc/65/78/84/1033657884.db2.gz XCCSVBOYMRAAJG-CQSZACIVSA-N 0 3 320.396 3.716 20 30 DHEDHN Cc1ccc2nc([C@@H]3CCCN(Cc4ccc(C#N)o4)C3)[nH]c2c1 ZINC000878323402 1033657890 /nfs/dbraw/zinc/65/78/90/1033657890.db2.gz XCCSVBOYMRAAJG-CQSZACIVSA-N 0 3 320.396 3.716 20 30 DHEDHN N#CCC1CCC(NCc2cc(O)ccc2Br)CC1 ZINC001173333793 1033691267 /nfs/dbraw/zinc/69/12/67/1033691267.db2.gz MQNWANPSLZMOGG-UHFFFAOYSA-N 0 3 323.234 3.717 20 30 DHEDHN C=CCC[C@@H](NCC(=O)Nc1ncccc1C)c1ccccc1 ZINC000878369979 1033679477 /nfs/dbraw/zinc/67/94/77/1033679477.db2.gz VQWWLCFPYKCKJP-QGZVFWFLSA-N 0 3 309.413 3.626 20 30 DHEDHN CC1(C#N)CCC(NCc2cc(O)ccc2Br)CC1 ZINC001173590729 1033780242 /nfs/dbraw/zinc/78/02/42/1033780242.db2.gz LVDJXOQKYCPGGU-UHFFFAOYSA-N 0 3 323.234 3.717 20 30 DHEDHN COC(=O)c1ccc(C[C@H](C)N(CCC#N)C2CCCC2)cc1 ZINC001173723395 1033843684 /nfs/dbraw/zinc/84/36/84/1033843684.db2.gz JKEHKAFSURRBOB-HNNXBMFYSA-N 0 3 314.429 3.562 20 30 DHEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2O)o1 ZINC000878885603 1033857571 /nfs/dbraw/zinc/85/75/71/1033857571.db2.gz LFDBRHLPYUPDHN-ZFWWWQNUSA-N 0 3 313.401 3.667 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000862444302 1033859347 /nfs/dbraw/zinc/85/93/47/1033859347.db2.gz UXVKOZUVFBKORD-MELADBBJSA-N 0 3 308.372 3.701 20 30 DHEDHN CCC(=NNCCCOCc1ccccc1)c1ccc(N)cc1 ZINC000863176598 1034013930 /nfs/dbraw/zinc/01/39/30/1034013930.db2.gz XJCWZIYZNFQOOH-UHFFFAOYSA-N 0 3 311.429 3.579 20 30 DHEDHN COc1ccccc1[C@@H]1CSCCCN1CC1(CC#N)CC1 ZINC000880176875 1034233812 /nfs/dbraw/zinc/23/38/12/1034233812.db2.gz UTUYUJXILKZOMQ-INIZCTEOSA-N 0 3 316.470 3.869 20 30 DHEDHN C[C@](CO)(NCc1ccc(Cl)cc1C#N)C1CCCCC1 ZINC000480552387 1034306711 /nfs/dbraw/zinc/30/67/11/1034306711.db2.gz IAIXIUPFMKIEKJ-QGZVFWFLSA-N 0 3 306.837 3.633 20 30 DHEDHN CC(C)[C@H](NCc1cc(C#N)ccc1F)[C@@H](O)c1ccccc1 ZINC000794606784 1034308433 /nfs/dbraw/zinc/30/84/33/1034308433.db2.gz RPFXYLFCYVDLJN-OALUTQOASA-N 0 3 312.388 3.545 20 30 DHEDHN CC[C@H](NCCCOc1cccc(C#N)c1)c1nc(C)cs1 ZINC000184368432 1034467093 /nfs/dbraw/zinc/46/70/93/1034467093.db2.gz UVVKDLOAYQNGDU-INIZCTEOSA-N 0 3 315.442 3.833 20 30 DHEDHN COc1ccc(Nc2cccc3c2OCC[C@H]3N(C)C)c(C#N)c1 ZINC001212785380 1034478890 /nfs/dbraw/zinc/47/88/90/1034478890.db2.gz QJQIYKFWYYWTMT-GOSISDBHSA-N 0 3 323.396 3.696 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000187190848 1034693981 /nfs/dbraw/zinc/69/39/81/1034693981.db2.gz GKEDUCYIFGPSNK-MAUKXSAKSA-N 0 3 300.446 3.562 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187190815 1034695480 /nfs/dbraw/zinc/69/54/80/1034695480.db2.gz GKEDUCYIFGPSNK-YJBOKZPZSA-N 0 3 300.446 3.562 20 30 DHEDHN COc1ccc([C@H]2CCN(Cc3cc(C#N)cs3)C2)cc1F ZINC000600213132 1034807724 /nfs/dbraw/zinc/80/77/24/1034807724.db2.gz BWZLJLQXGMYMCP-AWEZNQCLSA-N 0 3 316.401 3.757 20 30 DHEDHN N#Cc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192653586 1034812539 /nfs/dbraw/zinc/81/25/39/1034812539.db2.gz VWGQWUODTWEKKM-SFHVURJKSA-N 0 3 307.353 3.634 20 30 DHEDHN N#Cc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192653571 1034812703 /nfs/dbraw/zinc/81/27/03/1034812703.db2.gz VWGQWUODTWEKKM-GOSISDBHSA-N 0 3 307.353 3.634 20 30 DHEDHN CC(C)(C)[C@@H](C#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842333741 1034916436 /nfs/dbraw/zinc/91/64/36/1034916436.db2.gz MUEAYFUYULMLJE-QGZVFWFLSA-N 0 3 314.429 3.768 20 30 DHEDHN N#CCCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000138765849 1035038485 /nfs/dbraw/zinc/03/84/85/1035038485.db2.gz KHBBGXOQJPBHHI-UHFFFAOYSA-N 0 3 312.244 3.809 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC)cc1 ZINC000128633815 1035078048 /nfs/dbraw/zinc/07/80/48/1035078048.db2.gz SRUYNCXYQJRBTB-XJKSGUPXSA-N 0 3 300.402 3.723 20 30 DHEDHN CCN1CCN(c2ccc(Nc3sccc3C#N)cc2)CC1 ZINC001175779383 1035119183 /nfs/dbraw/zinc/11/91/83/1035119183.db2.gz FTBDWEAWNHXKRJ-UHFFFAOYSA-N 0 3 312.442 3.505 20 30 DHEDHN Cc1nc(C(C#N)C(=O)Nc2cc(Cl)ccc2C)sc1C ZINC000160123773 1035138437 /nfs/dbraw/zinc/13/84/37/1035138437.db2.gz HAZIPLMHWAWNMT-GFCCVEGCSA-N 0 3 319.817 3.968 20 30 DHEDHN CC(C)CCC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128712786 1035158464 /nfs/dbraw/zinc/15/84/64/1035158464.db2.gz QOCHJTMUXGGQEK-MRXNPFEDSA-N 0 3 308.381 3.923 20 30 DHEDHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC(C)(C)C1 ZINC000483101912 1035225890 /nfs/dbraw/zinc/22/58/90/1035225890.db2.gz JGTYCGDMQYNILK-CQSZACIVSA-N 0 3 319.836 3.661 20 30 DHEDHN CN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCC(C)(C)C1 ZINC000483107628 1035228401 /nfs/dbraw/zinc/22/84/01/1035228401.db2.gz GGQGYBYJKMYAEA-CQSZACIVSA-N 0 3 319.836 3.661 20 30 DHEDHN CN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCC(C)(C)C1 ZINC000483107627 1035229171 /nfs/dbraw/zinc/22/91/71/1035229171.db2.gz GGQGYBYJKMYAEA-AWEZNQCLSA-N 0 3 319.836 3.661 20 30 DHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1(OC)CCCC1 ZINC000483296379 1035254707 /nfs/dbraw/zinc/25/47/07/1035254707.db2.gz NFKPRSFWZCFGHH-UHFFFAOYSA-N 0 3 304.390 3.542 20 30 DHEDHN CC[C@](C)(O)CN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000483978073 1035311365 /nfs/dbraw/zinc/31/13/65/1035311365.db2.gz ALEHEYOSAFWGOI-NRFANRHFSA-N 0 3 307.437 3.701 20 30 DHEDHN C=CCN(CC[S@@](=O)c1ccccc1)CC1CCCCC1 ZINC000484661762 1035382899 /nfs/dbraw/zinc/38/28/99/1035382899.db2.gz DTDUPDICERULDE-OAQYLSRUSA-N 0 3 305.487 3.863 20 30 DHEDHN C=CCC(C)(C)c1noc(C[C@@H](N)c2ccccc2OCC)n1 ZINC000904724828 1035445215 /nfs/dbraw/zinc/44/52/15/1035445215.db2.gz QZBNCCSTNDQJRC-CQSZACIVSA-N 0 3 315.417 3.565 20 30 DHEDHN C[NH+](C)CC[C@H](/N=C/c1cc(Cl)ccc1[O-])c1cccnc1 ZINC000905003217 1035474584 /nfs/dbraw/zinc/47/45/84/1035474584.db2.gz PRMVCJAQKKJLJO-DORSJAEJSA-N 0 3 317.820 3.553 20 30 DHEDHN C=C(C)C[C@H](CO)NCc1cc(Br)ccc1Cl ZINC001179437751 1035477062 /nfs/dbraw/zinc/47/70/62/1035477062.db2.gz LVGMJDWTUOBXQO-GFCCVEGCSA-N 0 3 318.642 3.519 20 30 DHEDHN CC(C)CCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905082457 1035478832 /nfs/dbraw/zinc/47/88/32/1035478832.db2.gz WPMZMJMJJGIIIB-ATTDUZETSA-N 0 3 311.385 3.544 20 30 DHEDHN CCCCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905081264 1035478866 /nfs/dbraw/zinc/47/88/66/1035478866.db2.gz QNQUIZWHGTZCTF-YYTPVVGHSA-N 0 3 311.385 3.688 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCS[C@@H](C)C1 ZINC001179716170 1035494234 /nfs/dbraw/zinc/49/42/34/1035494234.db2.gz GOSKAAPURKWYPY-STQMWFEESA-N 0 3 309.862 3.726 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCS[C@H](C)C1 ZINC001179716165 1035494765 /nfs/dbraw/zinc/49/47/65/1035494765.db2.gz GOSKAAPURKWYPY-OLZOCXBDSA-N 0 3 309.862 3.726 20 30 DHEDHN C=CC1CCN(Cc2cn(C)nc2-c2cc(F)ccc2F)CC1 ZINC001179864167 1035525716 /nfs/dbraw/zinc/52/57/16/1035525716.db2.gz UMQPVHUUOJWJMZ-UHFFFAOYSA-N 0 3 317.383 3.763 20 30 DHEDHN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2CCCC[C@H]2CC)c1 ZINC001180161603 1035614659 /nfs/dbraw/zinc/61/46/59/1035614659.db2.gz IZQYBDZFKNOIFP-MSOLQXFVSA-N 0 3 312.457 3.755 20 30 DHEDHN CCCCCCCOC(=O)N1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001194004257 1035795081 /nfs/dbraw/zinc/79/50/81/1035795081.db2.gz LBMUTHPWWUVSDN-JKSUJKDBSA-N 0 3 314.445 3.602 20 30 DHEDHN CCO[C@H]1C[C@H](NCc2cccc(C#N)c2F)C12CCCCC2 ZINC001194090537 1035840026 /nfs/dbraw/zinc/84/00/26/1035840026.db2.gz JHWBVTBTFGCHNV-IRXDYDNUSA-N 0 3 316.420 3.915 20 30 DHEDHN CCC1(CC)[C@H](NCc2ccc(Cl)cc2C#N)C[C@H]1OC ZINC001194094031 1035843039 /nfs/dbraw/zinc/84/30/39/1035843039.db2.gz YPPWPXPZNZCTLY-HZPDHXFCSA-N 0 3 306.837 3.895 20 30 DHEDHN C#CCN1CCC(C(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000195386807 1035887356 /nfs/dbraw/zinc/88/73/56/1035887356.db2.gz FLAPMHBRBRYJSY-UHFFFAOYSA-N 0 3 324.449 3.699 20 30 DHEDHN CCCCN(CC)[C@@H](C(=O)NCC(C)(C)S)c1ccccc1 ZINC001182233957 1036140457 /nfs/dbraw/zinc/14/04/57/1036140457.db2.gz AJIOZYBXCKUUGV-MRXNPFEDSA-N 0 3 322.518 3.674 20 30 DHEDHN N#Cc1ccc(CNCC2(c3ccc(F)cc3Cl)CC2)o1 ZINC000154250561 1036332282 /nfs/dbraw/zinc/33/22/82/1036332282.db2.gz HLWQSSIWJPGUFH-UHFFFAOYSA-N 0 3 304.752 3.765 20 30 DHEDHN C=CCN(C[C@@H]1CCC[C@@H](c2ccccc2)O1)[C@H](C)COC ZINC001196048498 1036429776 /nfs/dbraw/zinc/42/97/76/1036429776.db2.gz WOTIQNKILWTQJC-NEWSRXKRSA-N 0 3 303.446 3.820 20 30 DHEDHN CC#CCCCCCCCC(=O)Nc1cnccc1N(C)C ZINC001182765590 1036451610 /nfs/dbraw/zinc/45/16/10/1036451610.db2.gz XYTIXDQRZMBMRR-UHFFFAOYSA-N 0 3 301.434 3.840 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1cccc([N+](=O)[O-])c1C ZINC000491409799 1036570207 /nfs/dbraw/zinc/57/02/07/1036570207.db2.gz KDSYSUYYFKETKI-UHFFFAOYSA-N 0 3 300.358 3.727 20 30 DHEDHN Cc1cccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1O ZINC000775735823 1036590840 /nfs/dbraw/zinc/59/08/40/1036590840.db2.gz ZCIXVEUWWFQYOT-RTBURBONSA-N 0 3 306.409 3.972 20 30 DHEDHN C=C(C)COc1cc(CN(C)CC2=CCSC2)ccc1OC ZINC000668775842 1036653060 /nfs/dbraw/zinc/65/30/60/1036653060.db2.gz RLPIFBUHSZMJGA-UHFFFAOYSA-N 0 3 319.470 3.755 20 30 DHEDHN CN(Cc1nc2c(s1)CCCC2)CC1CCC(C#N)CC1 ZINC000929775384 1036932167 /nfs/dbraw/zinc/93/21/67/1036932167.db2.gz YGGFQPFVKNDXHG-UHFFFAOYSA-N 0 3 303.475 3.784 20 30 DHEDHN C[C@@H](NCCCOc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000774796881 1036974918 /nfs/dbraw/zinc/97/49/18/1036974918.db2.gz FFSOOHLXWYSRMY-CYBMUJFWSA-N 0 3 316.351 3.956 20 30 DHEDHN COc1cccc([C@@H](C)C(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000193619824 1037036994 /nfs/dbraw/zinc/03/69/94/1037036994.db2.gz IKDSLJOLHLRZRR-IUODEOHRSA-N 0 3 320.348 3.816 20 30 DHEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000488609110 1037090967 /nfs/dbraw/zinc/09/09/67/1037090967.db2.gz HTHNNALZHSZKQZ-KRWDZBQOSA-N 0 3 302.462 3.710 20 30 DHEDHN N#CCOc1ccc(CN2CCO[C@@H](c3ccccc3)CC2)cc1 ZINC001198708635 1037116879 /nfs/dbraw/zinc/11/68/79/1037116879.db2.gz ZZEPXYFFSUGCDL-HXUWFJFHSA-N 0 3 322.408 3.553 20 30 DHEDHN CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC000911644193 1037160324 /nfs/dbraw/zinc/16/03/24/1037160324.db2.gz ZVGVJLDIPAUNNT-HZPDHXFCSA-N 0 3 321.465 3.724 20 30 DHEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000912134618 1037303758 /nfs/dbraw/zinc/30/37/58/1037303758.db2.gz QQHPZWVEAXWJOZ-HNNXBMFYSA-N 0 3 315.442 3.741 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000912707242 1037516682 /nfs/dbraw/zinc/51/66/82/1037516682.db2.gz OFYKNFFFQJEDII-CALCHBBNSA-N 0 3 309.413 3.614 20 30 DHEDHN Cc1c2cc(F)ccc2oc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000763242742 1037526508 /nfs/dbraw/zinc/52/65/08/1037526508.db2.gz RGKGDVBHFMMDDE-QGZVFWFLSA-N 0 3 324.355 3.575 20 30 DHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(OCC#N)cc1 ZINC000776162601 1037626356 /nfs/dbraw/zinc/62/63/56/1037626356.db2.gz JMOOXJAJANHPAW-HUUCEWRRSA-N 0 3 305.381 3.872 20 30 DHEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OCC#N)cc1 ZINC000776162599 1037627172 /nfs/dbraw/zinc/62/71/72/1037627172.db2.gz JMOOXJAJANHPAW-CABCVRRESA-N 0 3 305.381 3.872 20 30 DHEDHN CC(C)CO[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000776165888 1037654744 /nfs/dbraw/zinc/65/47/44/1037654744.db2.gz YDDVZXIJMGKPBC-DLBZAZTESA-N 0 3 304.409 3.627 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000184924369 1037766275 /nfs/dbraw/zinc/76/62/75/1037766275.db2.gz WRNKANKNEYOJHZ-QWHCGFSZSA-N 0 3 316.832 3.835 20 30 DHEDHN C=CCOCc1nn(C)c2c1CN(C[C@@H](CC)CCCC)CC2 ZINC001201558369 1037775341 /nfs/dbraw/zinc/77/53/41/1037775341.db2.gz BKJQNUYJPXXQRW-INIZCTEOSA-N 0 3 319.493 3.697 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000185089285 1037778102 /nfs/dbraw/zinc/77/81/02/1037778102.db2.gz JPMVQYONWBADMS-MRXNPFEDSA-N 0 3 314.473 3.542 20 30 DHEDHN C=CCOCc1nn(CC2CC2)c2c1CN(CCCCC)CC2 ZINC001201726519 1037856163 /nfs/dbraw/zinc/85/61/63/1037856163.db2.gz FWVIFIYTSGNHHV-UHFFFAOYSA-N 0 3 317.477 3.544 20 30 DHEDHN CCCCCCCCN1CCn2cc(CN3CCCC3)nc2C1 ZINC001201813072 1037900306 /nfs/dbraw/zinc/90/03/06/1037900306.db2.gz AOVXTACWUDKPND-UHFFFAOYSA-N 0 3 318.509 3.655 20 30 DHEDHN CCCCCCCCCN1CCc2ncc(C(=O)OC)cc2C1 ZINC001201852535 1037909350 /nfs/dbraw/zinc/90/93/50/1037909350.db2.gz CGXAHVBKNSURIX-UHFFFAOYSA-N 0 3 318.461 3.977 20 30 DHEDHN C#C[C@@H](C)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000775184028 1037950626 /nfs/dbraw/zinc/95/06/26/1037950626.db2.gz SQAWHTHJGSACLK-GFCCVEGCSA-N 0 3 300.383 3.777 20 30 DHEDHN C#C[C@H](C)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000775184029 1037951666 /nfs/dbraw/zinc/95/16/66/1037951666.db2.gz SQAWHTHJGSACLK-LBPRGKRZSA-N 0 3 300.383 3.777 20 30 DHEDHN Cc1cc(C(C#N)C(=O)C=CSc2ccccc2)nc(C)n1 ZINC000916880764 1038021169 /nfs/dbraw/zinc/02/11/69/1038021169.db2.gz XRUXQUULIMIWCL-CDNLZTBQSA-N 0 3 309.394 3.576 20 30 DHEDHN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2cccc(C)c2)C1(C)C ZINC000916896487 1038026569 /nfs/dbraw/zinc/02/65/69/1038026569.db2.gz INMZOXGEJJAFNT-GVDBMIGSSA-N 0 3 324.424 3.881 20 30 DHEDHN CCCCSCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000916910928 1038045555 /nfs/dbraw/zinc/04/55/55/1038045555.db2.gz KSVTXRQGCQAIQD-NSHDSACASA-N 0 3 324.833 3.521 20 30 DHEDHN C=CCC[C@@H](CCC)[NH2+][C@H](C)c1nnc(-c2cc(C)ccn2)[n-]1 ZINC000494349906 1038070247 /nfs/dbraw/zinc/07/02/47/1038070247.db2.gz OZYZVEHDZKPTJP-HUUCEWRRSA-N 0 3 313.449 3.961 20 30 DHEDHN C#CCN(CCOc1ccccc1OC)[C@H]1CCc2ccccc21 ZINC000917118926 1038220496 /nfs/dbraw/zinc/22/04/96/1038220496.db2.gz KGMLHPSEZAMQDF-IBGZPJMESA-N 0 3 321.420 3.697 20 30 DHEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000156815945 1038323496 /nfs/dbraw/zinc/32/34/96/1038323496.db2.gz FQTNZJPSFPEBIU-YPMHNXCESA-N 0 3 317.439 3.523 20 30 DHEDHN C[C@@H]1CCC[C@@H](CN2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001190742749 1038376752 /nfs/dbraw/zinc/37/67/52/1038376752.db2.gz LBIMSYQMIVYXOE-NVXWUHKLSA-N 0 3 315.436 3.646 20 30 DHEDHN COc1ccc(CN(Cc2ccnc(C#N)c2)C(C)(C)C)cc1 ZINC000588985118 1038416328 /nfs/dbraw/zinc/41/63/28/1038416328.db2.gz IUQFUVIWPIZIFB-UHFFFAOYSA-N 0 3 309.413 3.763 20 30 DHEDHN Cc1cc(C#N)ccc1CN[C@H](c1ccccc1)C(C)(C)CO ZINC000589262059 1038454576 /nfs/dbraw/zinc/45/45/76/1038454576.db2.gz NOSGUJKIWOZJNJ-LJQANCHMSA-N 0 3 308.425 3.716 20 30 DHEDHN CC1(C#N)CCC(NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000590646431 1038684283 /nfs/dbraw/zinc/68/42/83/1038684283.db2.gz DJIUKTGHKXEAEG-UHFFFAOYSA-N 0 3 300.299 3.805 20 30 DHEDHN N#Cc1ccc(OCCN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000057621178 1038690957 /nfs/dbraw/zinc/69/09/57/1038690957.db2.gz RRVRVWZKTUKRNQ-UHFFFAOYSA-N 0 3 310.372 3.741 20 30 DHEDHN N#CCC[C@@H](NC[C@@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000775552123 1038709933 /nfs/dbraw/zinc/70/99/33/1038709933.db2.gz FDGHBOFQCIRMTG-QZTJIDSGSA-N 0 3 316.351 3.633 20 30 DHEDHN N#CCC[C@H](NC[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000775554028 1038713855 /nfs/dbraw/zinc/71/38/55/1038713855.db2.gz VCFWGMKDSGJXFZ-ZWKOTPCHSA-N 0 3 316.351 3.633 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC001192947273 1038718147 /nfs/dbraw/zinc/71/81/47/1038718147.db2.gz NMMKAFSHJKQNPS-HXUWFJFHSA-N 0 3 322.452 3.997 20 30 DHEDHN C[C@H](CCC#N)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000591013283 1038744478 /nfs/dbraw/zinc/74/44/78/1038744478.db2.gz UYIKBCOVLAAFHV-CQSZACIVSA-N 0 3 310.401 3.608 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2cccnc21 ZINC000591348979 1038838761 /nfs/dbraw/zinc/83/87/61/1038838761.db2.gz VJGPXBXMBVFUQU-RTBURBONSA-N 0 3 303.409 3.998 20 30 DHEDHN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573493635 1038978542 /nfs/dbraw/zinc/97/85/42/1038978542.db2.gz FCYPUCBPJDXEFO-KBXCAEBGSA-N 0 3 321.380 3.844 20 30 DHEDHN COc1cncc(/C=C/CCN(CCC#N)CCC(C)C)c1 ZINC000592071156 1039117342 /nfs/dbraw/zinc/11/73/42/1039117342.db2.gz BLTCUFFDNPHVDR-QPJJXVBHSA-N 0 3 301.434 3.755 20 30 DHEDHN C=CCCSCCNCc1cscc1Br ZINC000696016758 1039124260 /nfs/dbraw/zinc/12/42/60/1039124260.db2.gz BRJQYTUHVZVRMF-UHFFFAOYSA-N 0 3 306.294 3.910 20 30 DHEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(Cl)c1Cl ZINC000599355581 1039131485 /nfs/dbraw/zinc/13/14/85/1039131485.db2.gz BNPWVGSVYBTNAG-GHMZBOCLSA-N 0 3 313.228 3.699 20 30 DHEDHN CN(C)Cc1ccnc(NCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000593945004 1039633301 /nfs/dbraw/zinc/63/33/01/1039633301.db2.gz DELUHHOFIKPGCF-UHFFFAOYSA-N 0 3 308.429 3.556 20 30 DHEDHN N#CCCCC[C@@H](N)C(=O)N1Cc2ccccc2-c2ccccc21 ZINC000594428784 1039781783 /nfs/dbraw/zinc/78/17/83/1039781783.db2.gz PLTGLEOEPOFRMZ-GOSISDBHSA-N 0 3 319.408 3.611 20 30 DHEDHN CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H](N)CCCCC#N ZINC000594428262 1039783332 /nfs/dbraw/zinc/78/33/32/1039783332.db2.gz LAKZSMCJOJOXLR-IBGZPJMESA-N 0 3 323.440 3.600 20 30 DHEDHN CC(C)(C)[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594443789 1039784676 /nfs/dbraw/zinc/78/46/76/1039784676.db2.gz UVLYATSYUOZXIV-OWCLPIDISA-N 0 3 307.482 3.509 20 30 DHEDHN CC(C)(C)[C@H]1CN(C(=O)[C@H](N)CCCCC#N)c2ccccc21 ZINC000594455678 1039788061 /nfs/dbraw/zinc/78/80/61/1039788061.db2.gz BDMSJCSBFWNYDS-JKSUJKDBSA-N 0 3 313.445 3.574 20 30 DHEDHN CCC(C)(C)C1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594425164 1039790848 /nfs/dbraw/zinc/79/08/48/1039790848.db2.gz GCILDYQVTSQSAU-GPANFISMSA-N 0 3 307.482 3.509 20 30 DHEDHN COc1cc([C@@H](C)NC2(c3ccc(C#N)cc3)CCC2)ccn1 ZINC000594517255 1039822518 /nfs/dbraw/zinc/82/25/18/1039822518.db2.gz JTSAPAWENBKBRB-CQSZACIVSA-N 0 3 307.397 3.692 20 30 DHEDHN CCOc1cc(CNC2(c3ccc(C#N)cc3)CCC2)ccc1O ZINC000594624506 1039863937 /nfs/dbraw/zinc/86/39/37/1039863937.db2.gz ROMVSMHCQOSPBR-UHFFFAOYSA-N 0 3 322.408 3.832 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000606435153 1039877500 /nfs/dbraw/zinc/87/75/00/1039877500.db2.gz LFZMYLHQBVSXNK-MSOLQXFVSA-N 0 3 314.473 3.597 20 30 DHEDHN COc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)c(C)c1 ZINC000594931649 1039924332 /nfs/dbraw/zinc/92/43/32/1039924332.db2.gz QORNKIYBLVPENU-UHFFFAOYSA-N 0 3 306.409 3.849 20 30 DHEDHN CC(C)Oc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594920833 1039925332 /nfs/dbraw/zinc/92/53/32/1039925332.db2.gz AWYJMGQXZBWCLV-UHFFFAOYSA-N 0 3 321.424 3.714 20 30 DHEDHN C[C@@]1(Cc2ccccc2F)CCCN1Cc1ccc(C#N)cn1 ZINC000594015299 1039941784 /nfs/dbraw/zinc/94/17/84/1039941784.db2.gz IHNWDYXEBVSXJP-IBGZPJMESA-N 0 3 309.388 3.690 20 30 DHEDHN Cc1sccc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594978497 1039951178 /nfs/dbraw/zinc/95/11/78/1039951178.db2.gz CDPADBLOUFWNMT-UHFFFAOYSA-N 0 3 312.438 3.724 20 30 DHEDHN N#CCCCOc1cccc(CN[C@H]2CCc3ccc(O)cc32)c1 ZINC000594979237 1039951425 /nfs/dbraw/zinc/95/14/25/1039951425.db2.gz GLWRUUGOKRATFZ-FQEVSTJZSA-N 0 3 322.408 3.852 20 30 DHEDHN COc1cc(F)cc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594934998 1039953841 /nfs/dbraw/zinc/95/38/41/1039953841.db2.gz MCSRMKDYVNOOKW-UHFFFAOYSA-N 0 3 310.372 3.679 20 30 DHEDHN CCOc1ccc(CNCc2ccc(C#N)c(OC)c2)c(C)c1 ZINC000594943030 1039956468 /nfs/dbraw/zinc/95/64/68/1039956468.db2.gz GLYLZOPNJQHMDR-UHFFFAOYSA-N 0 3 310.397 3.564 20 30 DHEDHN COCc1csc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594988037 1040008253 /nfs/dbraw/zinc/00/82/53/1040008253.db2.gz YBNAYPLJJQSSMC-UHFFFAOYSA-N 0 3 314.454 3.985 20 30 DHEDHN CC(C)(C)CN(CCC#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172800714 1040058757 /nfs/dbraw/zinc/05/87/57/1040058757.db2.gz UNZGMZKEVACVDR-HNNXBMFYSA-N 0 3 323.481 3.505 20 30 DHEDHN Cc1cc(Br)c(CN[C@H]2CCC[C@@H](C#N)C2)s1 ZINC000595080356 1040072725 /nfs/dbraw/zinc/07/27/25/1040072725.db2.gz KRDJHLBNRLLLKV-MNOVXSKESA-N 0 3 313.264 3.991 20 30 DHEDHN COc1ccc(C[C@H](C)NCC2(C#N)CCCCC2)cc1OC ZINC000595090573 1040076878 /nfs/dbraw/zinc/07/68/78/1040076878.db2.gz IFZSPSNJTQBKHJ-HNNXBMFYSA-N 0 3 316.445 3.698 20 30 DHEDHN CC[C@H](NCc1c(C2CCC2)cnn1C)c1ccc(C#N)cc1 ZINC000595096570 1040081810 /nfs/dbraw/zinc/08/18/10/1040081810.db2.gz BQYJIFGCANYTFI-SFHVURJKSA-N 0 3 308.429 3.800 20 30 DHEDHN Cc1c([C@H](C)NCc2ccc(CC#N)cc2)cnn1C(C)(C)C ZINC000574988633 1040111279 /nfs/dbraw/zinc/11/12/79/1040111279.db2.gz IOHWJPPPCFTMAT-AWEZNQCLSA-N 0 3 310.445 3.863 20 30 DHEDHN N#CC[C@H]1CCCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000595614300 1040209100 /nfs/dbraw/zinc/20/91/00/1040209100.db2.gz KAQDDVIUHWICEL-CYBMUJFWSA-N 0 3 312.335 3.753 20 30 DHEDHN CC[C@H](c1ccccc1)N(CC(=O)N(CC)CCC#N)C(C)C ZINC000595855842 1040262025 /nfs/dbraw/zinc/26/20/25/1040262025.db2.gz FPNUXFSDXIZNAT-GOSISDBHSA-N 0 3 315.461 3.610 20 30 DHEDHN CCC(CC)(CNC[C@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000596052274 1040290470 /nfs/dbraw/zinc/29/04/70/1040290470.db2.gz VVEYYKJKNYXLSR-HNNXBMFYSA-N 0 3 301.409 3.917 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598930 1040509480 /nfs/dbraw/zinc/50/94/80/1040509480.db2.gz OJXHBZUKJGFFQO-UHFFFAOYSA-N 0 3 322.456 3.795 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCn2nccc21 ZINC000601321672 1040599616 /nfs/dbraw/zinc/59/96/16/1040599616.db2.gz TWMJJCFCBXEYLR-ZWKOTPCHSA-N 0 3 306.413 3.647 20 30 DHEDHN COCCN(Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977948 1040614902 /nfs/dbraw/zinc/61/49/02/1040614902.db2.gz QQFQXLFOOAKXJM-UHFFFAOYSA-N 0 3 320.436 3.890 20 30 DHEDHN CN(CCOc1ccccc1F)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980291 1040615139 /nfs/dbraw/zinc/61/51/39/1040615139.db2.gz KXMTYKRNRRHOPM-UHFFFAOYSA-N 0 3 324.399 3.892 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ncc(C)c(OC)c1C ZINC000608990910 1040663497 /nfs/dbraw/zinc/66/34/97/1040663497.db2.gz BWKZEIVGJLYWCW-UHFFFAOYSA-N 0 3 323.440 3.991 20 30 DHEDHN C[C@@H](CCC#N)CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000602488026 1041057606 /nfs/dbraw/zinc/05/76/06/1041057606.db2.gz YNCMYQDGCYTSEQ-LPEHRKFASA-N 0 3 302.262 3.599 20 30 DHEDHN CC[C@H](CNCc1cccc(C#N)n1)Oc1ccccc1Cl ZINC000602565198 1041098915 /nfs/dbraw/zinc/09/89/15/1041098915.db2.gz DFCDRUGKEQGJKJ-OAHLLOKOSA-N 0 3 315.804 3.554 20 30 DHEDHN C=CCC1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000602715974 1041175894 /nfs/dbraw/zinc/17/58/94/1041175894.db2.gz HZAMXQHSVWSGKM-UHFFFAOYSA-N 0 3 301.346 3.715 20 30 DHEDHN C[C@H](CCC#N)CN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000602719545 1041176272 /nfs/dbraw/zinc/17/62/72/1041176272.db2.gz YADCFKXZBBOUAA-MFKMUULPSA-N 0 3 301.217 3.556 20 30 DHEDHN C[C@@H](c1ccccn1)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602893064 1041298149 /nfs/dbraw/zinc/29/81/49/1041298149.db2.gz ARIYPNGAUZBFIN-HNNXBMFYSA-N 0 3 306.413 3.591 20 30 DHEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cc(Cl)ccc1Cl ZINC000598602488 1041344388 /nfs/dbraw/zinc/34/43/88/1041344388.db2.gz PCSWWTZWHVEPJY-CMPLNLGQSA-N 0 3 315.244 3.945 20 30 DHEDHN N#Cc1ccc(CN(Cc2cc3cnccc3o2)C2CC2)cc1 ZINC000593569138 1041352167 /nfs/dbraw/zinc/35/21/67/1041352167.db2.gz ZJFZCXSBGHDQIT-UHFFFAOYSA-N 0 3 303.365 3.864 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000078973622 185138323 /nfs/dbraw/zinc/13/83/23/185138323.db2.gz PYECMPXWSCUUKQ-ZIAGYGMSSA-N 0 3 308.381 3.741 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccc(CCC)cc1)C(C)C ZINC000096966517 185394251 /nfs/dbraw/zinc/39/42/51/185394251.db2.gz TWBKBSYYKGLZQP-CRAIPNDOSA-N 0 3 302.462 3.617 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nc4c(s3)CCCC4)CC2)C1 ZINC000425508866 334952240 /nfs/dbraw/zinc/95/22/40/334952240.db2.gz NWIOOEZPAAHRJO-HIFRSBDPSA-N 0 3 315.486 3.894 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc(-c2ccccc2)cs1 ZINC000280541339 334967948 /nfs/dbraw/zinc/96/79/48/334967948.db2.gz CZXXOXPAWZFBFS-YJBOKZPZSA-N 0 3 314.454 3.881 20 30 DHEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(CSC(F)F)o1 ZINC000280699427 334969869 /nfs/dbraw/zinc/96/98/69/334969869.db2.gz SFELTFWRWOPLQZ-BXUZGUMPSA-N 0 3 317.401 3.806 20 30 DHEDHN C=CCOc1ccc(CNCc2cc(OCC)ccc2O)cc1 ZINC000285471470 335026444 /nfs/dbraw/zinc/02/64/44/335026444.db2.gz HMGLTKQTWBVIDM-UHFFFAOYSA-N 0 3 313.397 3.646 20 30 DHEDHN C=CCOc1ccc(C[NH2+]Cc2cc(OCC)ccc2[O-])cc1 ZINC000285471470 335026446 /nfs/dbraw/zinc/02/64/46/335026446.db2.gz HMGLTKQTWBVIDM-UHFFFAOYSA-N 0 3 313.397 3.646 20 30 DHEDHN C=CCCCCCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000193515875 335051239 /nfs/dbraw/zinc/05/12/39/335051239.db2.gz DZPQGSGAXGSDKP-CYBMUJFWSA-N 0 3 313.438 3.626 20 30 DHEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000289650213 335062369 /nfs/dbraw/zinc/06/23/69/335062369.db2.gz GGFGFOKWZKGABV-CMPLNLGQSA-N 0 3 305.365 3.539 20 30 DHEDHN COc1ccc([C@H](CN(C)C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000284454521 131082497 /nfs/dbraw/zinc/08/24/97/131082497.db2.gz UPSOBKNLBVXQKX-YWZLYKJASA-N 0 3 323.440 3.520 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285387739 131163253 /nfs/dbraw/zinc/16/32/53/131163253.db2.gz SCEXSTRLRCPQTM-CQSZACIVSA-N 0 3 309.369 3.702 20 30 DHEDHN C[C@@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000286851037 131252216 /nfs/dbraw/zinc/25/22/16/131252216.db2.gz ALKVTRBNINXSNQ-AUUYWEPGSA-N 0 3 311.404 3.651 20 30 DHEDHN C[C@@H](N[C@H](CCO)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000286893903 131254072 /nfs/dbraw/zinc/25/40/72/131254072.db2.gz DEEOLPWUWNJALW-FZKQIMNGSA-N 0 3 314.816 3.986 20 30 DHEDHN C[C@@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000287019465 131259991 /nfs/dbraw/zinc/25/99/91/131259991.db2.gz LBJUYMVISYRACE-KUHUBIRLSA-N 0 3 311.404 3.651 20 30 DHEDHN CCc1ccc([C@@H](O)CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000287706499 131295834 /nfs/dbraw/zinc/29/58/34/131295834.db2.gz XIXOLHBUNQPOKH-YJYMSZOUSA-N 0 3 312.388 3.644 20 30 DHEDHN CC(C)(CO)[C@H](NCc1ccc(F)c(C#N)c1)c1cccs1 ZINC000289439886 131385911 /nfs/dbraw/zinc/38/59/11/131385911.db2.gz WKPFVJPYVXTWAH-MRXNPFEDSA-N 0 3 318.417 3.608 20 30 DHEDHN Cc1sc(NC(=O)CN[C@H]2CCCCC2(C)C)c(C#N)c1C ZINC000119964891 132137872 /nfs/dbraw/zinc/13/78/72/132137872.db2.gz YYRDAOPLBGGSLG-AWEZNQCLSA-N 0 3 319.474 3.734 20 30 DHEDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000120889306 132147359 /nfs/dbraw/zinc/14/73/59/132147359.db2.gz HHKNUEXGYAWEKM-GOEBONIOSA-N 0 3 317.433 3.607 20 30 DHEDHN C#CC[C@H](NCc1ccc(COCCOC)cc1)c1ccccc1 ZINC000290135458 335069399 /nfs/dbraw/zinc/06/93/99/335069399.db2.gz NHPIGNGOGHKVPP-NRFANRHFSA-N 0 3 323.436 3.704 20 30 DHEDHN C=CCCOCCN[C@@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000290670160 335074117 /nfs/dbraw/zinc/07/41/17/335074117.db2.gz LEKKQQGPWAFSNL-MSOLQXFVSA-N 0 3 307.409 3.618 20 30 DHEDHN CC[C@@H](C)N[C@@H](CNc1ccc(Cl)c(C#N)n1)c1ccco1 ZINC000517981690 435620937 /nfs/dbraw/zinc/62/09/37/435620937.db2.gz INIRQKPKVPZBQS-RISCZKNCSA-N 0 3 318.808 3.741 20 30 DHEDHN CC[C@H](C)N[C@H](CNc1ccc(Cl)c(C#N)n1)c1ccco1 ZINC000517981691 435621866 /nfs/dbraw/zinc/62/18/66/435621866.db2.gz INIRQKPKVPZBQS-SMDDNHRTSA-N 0 3 318.808 3.741 20 30 DHEDHN C=CC[C@@H](CO)N[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000186685018 331466333 /nfs/dbraw/zinc/46/63/33/331466333.db2.gz YRBDYWKOEINXHI-DOMZBBRYSA-N 0 3 302.443 3.706 20 30 DHEDHN C=CCOc1cccc(CN[C@@H](COC)Cc2ccccc2)c1 ZINC000530609409 331611153 /nfs/dbraw/zinc/61/11/53/331611153.db2.gz HCPXRBXGJRPOJV-LJQANCHMSA-N 0 3 311.425 3.599 20 30 DHEDHN CC(C)[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccc(F)cc1 ZINC000556584671 331717033 /nfs/dbraw/zinc/71/70/33/331717033.db2.gz XVIKPKMTAGPWPD-LJQANCHMSA-N 0 3 322.387 3.832 20 30 DHEDHN CC(C)(C#N)CCCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255562609 331771794 /nfs/dbraw/zinc/77/17/94/331771794.db2.gz XOQCCELPZGZPHV-POHAHGRESA-N 0 3 311.473 3.647 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2cc3sccc3s2)CC1 ZINC000517982614 331982148 /nfs/dbraw/zinc/98/21/48/331982148.db2.gz VHOFNKAVDCJZSB-UHFFFAOYSA-N 0 3 320.483 3.733 20 30 DHEDHN N#CCCCN(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000088604602 332055115 /nfs/dbraw/zinc/05/51/15/332055115.db2.gz IJPUHHRKQDPBGK-INIZCTEOSA-N 0 3 300.427 3.587 20 30 DHEDHN C[C@H](Cc1ccsc1)N(C)CCOCc1ccc(C#N)cc1 ZINC000569507297 332112788 /nfs/dbraw/zinc/11/27/88/332112788.db2.gz DFQPIJUGILOOPU-OAHLLOKOSA-N 0 3 314.454 3.699 20 30 DHEDHN C=CCN1CC[C@H](N2CCC[C@@H]2c2cccc3ccccc32)C1=O ZINC000410343899 332113595 /nfs/dbraw/zinc/11/35/95/332113595.db2.gz TXUPGODXCNVJAJ-UXHICEINSA-N 0 3 320.436 3.764 20 30 DHEDHN COc1ccc(CN2CCC3(CCC3)C2)cc1OCCCC#N ZINC000093455980 332138934 /nfs/dbraw/zinc/13/89/34/332138934.db2.gz ZXPOKLAYZYGLRG-UHFFFAOYSA-N 0 3 314.429 3.754 20 30 DHEDHN COc1ccc([C@H]2CCCN2CCC(C)(C)C#N)cc1OC ZINC000119865024 332379399 /nfs/dbraw/zinc/37/93/99/332379399.db2.gz ZOQBIAFCSQHAAB-OAHLLOKOSA-N 0 3 302.418 3.781 20 30 DHEDHN C=CCN1CCC(Nc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428132942 335109073 /nfs/dbraw/zinc/10/90/73/335109073.db2.gz WRVBEQNZQMMIQB-UHFFFAOYSA-N 0 3 324.472 3.629 20 30 DHEDHN Cc1cc(CNCc2cccc(OC(F)F)c2)ccc1C#N ZINC000443962042 332646626 /nfs/dbraw/zinc/64/66/26/332646626.db2.gz IYRCXJLYDXIQNR-UHFFFAOYSA-N 0 3 302.324 3.758 20 30 DHEDHN N#Cc1ccc(CNCCc2ccccc2O)c(C(F)(F)F)c1 ZINC000569746225 332675276 /nfs/dbraw/zinc/67/52/76/332675276.db2.gz CIMLXXZEMHRFHL-UHFFFAOYSA-N 0 3 320.314 3.615 20 30 DHEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000152740317 332705520 /nfs/dbraw/zinc/70/55/20/332705520.db2.gz QACCORPMOZJWGS-SJORKVTESA-N 0 3 321.424 3.673 20 30 DHEDHN COCC1(CN[C@H](C)c2ccc(C#N)cc2F)CCCCC1 ZINC000570313546 332738200 /nfs/dbraw/zinc/73/82/00/332738200.db2.gz DYDVAAQMHPGVMZ-CQSZACIVSA-N 0 3 304.409 3.945 20 30 DHEDHN C=CCCCCNC1(c2cccc(OC)c2F)CCOCC1 ZINC000580156205 332967488 /nfs/dbraw/zinc/96/74/88/332967488.db2.gz ICPXKHULSQPCLP-UHFFFAOYSA-N 0 3 307.409 3.786 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424994176 335116849 /nfs/dbraw/zinc/11/68/49/335116849.db2.gz HVLUQWKSGIQJAL-XKGZKEIXSA-N 0 3 322.383 3.512 20 30 DHEDHN COc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccc1C ZINC000181609736 333170787 /nfs/dbraw/zinc/17/07/87/333170787.db2.gz FVSBLSIMOJGUID-OAHLLOKOSA-N 0 3 310.397 3.757 20 30 DHEDHN C[C@@H](N[C@H](CCCO)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181798567 333172706 /nfs/dbraw/zinc/17/27/06/333172706.db2.gz PEQGMJNWCDNUBM-OXQOHEQNSA-N 0 3 324.424 3.753 20 30 DHEDHN C[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000182009285 333174432 /nfs/dbraw/zinc/17/44/32/333174432.db2.gz ZJQYLAKAPRFWSV-BXWFABGCSA-N 0 3 316.445 3.835 20 30 DHEDHN Cc1ccc(OCCN[C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181996451 333174500 /nfs/dbraw/zinc/17/45/00/333174500.db2.gz STVORNYXKGLFIB-MRXNPFEDSA-N 0 3 310.397 3.627 20 30 DHEDHN C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CN1C1CC1 ZINC000387908912 333184791 /nfs/dbraw/zinc/18/47/91/333184791.db2.gz RLRKKHNDJMCFFY-ZWNOBZJWSA-N 0 3 309.335 3.614 20 30 DHEDHN C=CCC[C@H](N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccco1 ZINC000367625855 333190409 /nfs/dbraw/zinc/19/04/09/333190409.db2.gz ZFHCVGNZYOLLFV-IKGGRYGDSA-N 0 3 316.445 3.668 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000185766566 333213693 /nfs/dbraw/zinc/21/36/93/333213693.db2.gz TYZRVXLRVMBAMP-KGLIPLIRSA-N 0 3 312.335 3.800 20 30 DHEDHN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185762333 333213847 /nfs/dbraw/zinc/21/38/47/333213847.db2.gz XBQBEKPAAJVLOR-OALUTQOASA-N 0 3 322.456 3.720 20 30 DHEDHN COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(C(F)(F)F)c1 ZINC000185808190 333214594 /nfs/dbraw/zinc/21/45/94/333214594.db2.gz IWAMEGLUUANRJH-WCQYABFASA-N 0 3 312.335 3.886 20 30 DHEDHN CC(C)(C)c1ccc([C@@H](O)CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185831045 333214722 /nfs/dbraw/zinc/21/47/22/333214722.db2.gz DZTYBBWETNPCFB-QGTPRVQTSA-N 0 3 300.446 3.689 20 30 DHEDHN CCOc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1OC(F)F ZINC000185856776 333215180 /nfs/dbraw/zinc/21/51/80/333215180.db2.gz PKEOBKCTXLMDSD-TZMCWYRMSA-N 0 3 324.371 3.859 20 30 DHEDHN CCOc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1OC(F)F ZINC000185856761 333215329 /nfs/dbraw/zinc/21/53/29/333215329.db2.gz PKEOBKCTXLMDSD-JSGCOSHPSA-N 0 3 324.371 3.859 20 30 DHEDHN COc1ccc(CN2CCCC3(CC3)C2)cc1OCCCC#N ZINC000186623086 333220911 /nfs/dbraw/zinc/22/09/11/333220911.db2.gz XDUVXHIYJUBPHL-UHFFFAOYSA-N 0 3 314.429 3.754 20 30 DHEDHN CC[C@@H](CC#N)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000497226239 333224170 /nfs/dbraw/zinc/22/41/70/333224170.db2.gz JUWVILQREWWHHM-JYJNAYRXSA-N 0 3 323.481 3.599 20 30 DHEDHN C=CC(C)(C)C(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000294865957 335128644 /nfs/dbraw/zinc/12/86/44/335128644.db2.gz GREYZNLNUWBUJP-GOSISDBHSA-N 0 3 314.473 3.569 20 30 DHEDHN CCCC1(CNC[C@@H](C)C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000497292565 333232159 /nfs/dbraw/zinc/23/21/59/333232159.db2.gz JFGACZMYLKEAGA-HNNXBMFYSA-N 0 3 323.481 3.553 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(/C=C\C)cc2)CC1 ZINC000497342862 333238409 /nfs/dbraw/zinc/23/84/09/333238409.db2.gz QMWVKQNWBQWXFQ-PLNGDYQASA-N 0 3 313.445 3.882 20 30 DHEDHN C=CCN1CC[C@@H](N[C@@H](c2ccc(C(C)C)cc2)C(C)C)C1=O ZINC000499600481 333286698 /nfs/dbraw/zinc/28/66/98/333286698.db2.gz NVTKJERRNJKNJC-RTBURBONSA-N 0 3 314.473 3.884 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000364338202 333291077 /nfs/dbraw/zinc/29/10/77/333291077.db2.gz OTMBUVCKWNJYEU-FQEVSTJZSA-N 0 3 304.393 3.580 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(N3CCCCCC3)nc2)C1 ZINC000192683977 333291374 /nfs/dbraw/zinc/29/13/74/333291374.db2.gz FKNNXGCCLLJIIE-WMZOPIPTSA-N 0 3 312.461 3.634 20 30 DHEDHN N#C[C@H]1CCC[C@H](N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1 ZINC000192757985 333292563 /nfs/dbraw/zinc/29/25/63/333292563.db2.gz YVIMKAQHDMTCBO-IYJAJMOOSA-N 0 3 312.413 3.581 20 30 DHEDHN C=CCOc1ccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000531444822 333354068 /nfs/dbraw/zinc/35/40/68/333354068.db2.gz BLHAZEPWGYPIML-GOSISDBHSA-N 0 3 313.445 3.862 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@@H](OC(C)C)C2)ccc1OC ZINC000563151059 333397832 /nfs/dbraw/zinc/39/78/32/333397832.db2.gz PFXZECXUNBPKQW-QGZVFWFLSA-N 0 3 319.445 3.649 20 30 DHEDHN CC(C)c1nccn1C[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000365235814 333399559 /nfs/dbraw/zinc/39/95/59/333399559.db2.gz YZBXVDSJNRVEKY-IBGZPJMESA-N 0 3 307.441 3.523 20 30 DHEDHN COc1cc(OC)cc(C2(F)CCN(CCCCC#N)CC2)c1 ZINC000338635686 333493707 /nfs/dbraw/zinc/49/37/07/333493707.db2.gz GBXTZYWLICYJDN-UHFFFAOYSA-N 0 3 320.408 3.658 20 30 DHEDHN COc1cc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)ccc1OC(C)C ZINC000339067755 333507964 /nfs/dbraw/zinc/50/79/64/333507964.db2.gz CLGPBRSFVCRCRL-SQWLQELKSA-N 0 3 302.418 3.825 20 30 DHEDHN CC1(c2cccc(Cl)c2)CCN(CCOCCC#N)CC1 ZINC000339146220 333509955 /nfs/dbraw/zinc/50/99/55/333509955.db2.gz UWLVECGQTYOYMN-UHFFFAOYSA-N 0 3 306.837 3.624 20 30 DHEDHN Cc1nn(-c2ccccc2)c(Cl)c1CNCCCCC#N ZINC000237873547 333524098 /nfs/dbraw/zinc/52/40/98/333524098.db2.gz DFBPCQSVZHBYRY-UHFFFAOYSA-N 0 3 302.809 3.618 20 30 DHEDHN CC(C)(C)CCN1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411185526 333640702 /nfs/dbraw/zinc/64/07/02/333640702.db2.gz MUEIWANYSFKCAM-UHFFFAOYSA-N 0 3 305.510 3.904 20 30 DHEDHN COc1cc(OC)c([C@H](C)NCC(C)(C)CC#N)cc1Cl ZINC000414167995 333916962 /nfs/dbraw/zinc/91/69/62/333916962.db2.gz QARGCGVDCXOZFM-NSHDSACASA-N 0 3 310.825 3.948 20 30 DHEDHN C=CC[C@@H](Cc1ccccc1)NCc1nc2ccccc2n1C ZINC000414530735 334008505 /nfs/dbraw/zinc/00/85/05/334008505.db2.gz FDSXROYORCMMPC-KRWDZBQOSA-N 0 3 305.425 3.850 20 30 DHEDHN Cc1csc(CNC2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000271054704 334017605 /nfs/dbraw/zinc/01/76/05/334017605.db2.gz CJCOBAPUMMLVNW-UHFFFAOYSA-N 0 3 311.454 3.945 20 30 DHEDHN COc1cccc([C@@H]2C[C@H]2CNCc2ccc(C#N)cc2F)c1 ZINC000414560686 334019841 /nfs/dbraw/zinc/01/98/41/334019841.db2.gz XPQONZDWXOXAGK-WMZOPIPTSA-N 0 3 310.372 3.599 20 30 DHEDHN CCOc1cccc([C@@H](C)NCc2ccc(OCC#N)cc2)c1 ZINC000271450319 334023650 /nfs/dbraw/zinc/02/36/50/334023650.db2.gz IABVZIRQOWJSFL-OAHLLOKOSA-N 0 3 310.397 3.838 20 30 DHEDHN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271913196 334028469 /nfs/dbraw/zinc/02/84/69/334028469.db2.gz BOCLQCUWONWQNO-KUHUBIRLSA-N 0 3 312.388 3.862 20 30 DHEDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](NCCCC#N)c2ccccc21 ZINC000273177109 334043919 /nfs/dbraw/zinc/04/39/19/334043919.db2.gz NNSOYSRAKKBWRV-HOTGVXAUSA-N 0 3 315.417 3.591 20 30 DHEDHN C[C@H](NCCCC#N)c1ccc(OC(F)F)cc1OC(F)F ZINC000273184864 334044156 /nfs/dbraw/zinc/04/41/56/334044156.db2.gz FSOLQDNEZGNVQM-VIFPVBQESA-N 0 3 320.286 3.844 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(OCc3ccccc3)c2)C1 ZINC000274206428 334057170 /nfs/dbraw/zinc/05/71/70/334057170.db2.gz MLTHSZJXGSCQCX-HKUYNNGSSA-N 0 3 321.424 3.833 20 30 DHEDHN CC(C)c1ccc([C@H](N)CNC(=O)Nc2cccc(C#N)c2)cc1 ZINC000414688806 334069105 /nfs/dbraw/zinc/06/91/05/334069105.db2.gz FBUXSCDZJTZSAL-GOSISDBHSA-N 0 3 322.412 3.503 20 30 DHEDHN C[C@@]1(c2ccccc2)CCCN(Cc2ccc(C#N)cn2)CC1 ZINC000571654738 334071870 /nfs/dbraw/zinc/07/18/70/334071870.db2.gz VHZWOSQXRGQQFU-HXUWFJFHSA-N 0 3 305.425 3.897 20 30 DHEDHN C[C@@H](CCC#N)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000276330290 334075705 /nfs/dbraw/zinc/07/57/05/334075705.db2.gz QYYXWAUDROTVML-GUYCJALGSA-N 0 3 306.837 3.778 20 30 DHEDHN CCCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000278343491 334095447 /nfs/dbraw/zinc/09/54/47/334095447.db2.gz XZPOALGQMUKAPR-GDBMZVCRSA-N 0 3 302.418 3.656 20 30 DHEDHN CCC1CCC(N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279716595 334111416 /nfs/dbraw/zinc/11/14/16/334111416.db2.gz LVEYCBSPLRVUEI-OBONGRFPSA-N 0 3 323.440 3.668 20 30 DHEDHN CC(C)C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280228165 334115606 /nfs/dbraw/zinc/11/56/06/334115606.db2.gz VYRMORAXNYLAOW-RBUKOAKNSA-N 0 3 323.440 3.525 20 30 DHEDHN Cn1c(CNCC2CCC(C#N)CC2)nc2ccc(Cl)cc21 ZINC000281763726 334128262 /nfs/dbraw/zinc/12/82/62/334128262.db2.gz RVKRHXRHYCGKBA-UHFFFAOYSA-N 0 3 316.836 3.646 20 30 DHEDHN C=CCN(CCCC1(C#N)CCOCC1)Cc1cccc(C#N)c1 ZINC000282063481 334130928 /nfs/dbraw/zinc/13/09/28/334130928.db2.gz SHGABGNRMANQML-UHFFFAOYSA-N 0 3 323.440 3.647 20 30 DHEDHN N#CC1CCC(CNCc2c(F)cccc2N2CCCC2)CC1 ZINC000282340674 334133750 /nfs/dbraw/zinc/13/37/50/334133750.db2.gz MBPURXKGNMWVGS-UHFFFAOYSA-N 0 3 315.436 3.845 20 30 DHEDHN N#CCCCN1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000343582944 335179550 /nfs/dbraw/zinc/17/95/50/335179550.db2.gz QXJVGTGRKNVDOC-UHFFFAOYSA-N 0 3 312.244 3.809 20 30 DHEDHN CN(C)CCN(Cc1ccc(F)cc1F)CC(C)(C)CCC#N ZINC000289508543 334165890 /nfs/dbraw/zinc/16/58/90/334165890.db2.gz ULHSNXMDWKFDMV-UHFFFAOYSA-N 0 3 323.431 3.658 20 30 DHEDHN CN(C)CCN(Cc1ccccc1F)CC(C)(C)CCC#N ZINC000289925696 334169621 /nfs/dbraw/zinc/16/96/21/334169621.db2.gz WAXWEGLAEKMQBN-UHFFFAOYSA-N 0 3 305.441 3.519 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC000290528380 334173323 /nfs/dbraw/zinc/17/33/23/334173323.db2.gz ZHHWVODZYPHETA-GEALJGNFSA-N 0 3 306.409 3.743 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CCOC[C@H](C2CCC2)C1 ZINC000292141367 334184745 /nfs/dbraw/zinc/18/47/45/334184745.db2.gz MLXIOSLFTOZUJR-GOSISDBHSA-N 0 3 312.457 3.736 20 30 DHEDHN N#CCCOCCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000293333007 334197133 /nfs/dbraw/zinc/19/71/33/334197133.db2.gz CUHBVBKTLWQLGF-UHFFFAOYSA-N 0 3 312.335 3.600 20 30 DHEDHN CN(CCc1cccc(Br)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293576454 334199066 /nfs/dbraw/zinc/19/90/66/334199066.db2.gz NJOQLHWJQJMKKJ-UKRRQHHQSA-N 0 3 307.235 3.616 20 30 DHEDHN C[C@@H](c1ccccc1)[N@H+](CCOCCC#N)Cc1ccccc1[O-] ZINC000293748321 334201989 /nfs/dbraw/zinc/20/19/89/334201989.db2.gz IKTALDSWPAXUFP-KRWDZBQOSA-N 0 3 324.424 3.886 20 30 DHEDHN C[C@@H](c1ccccc1)[N@@H+](CCOCCC#N)Cc1ccccc1[O-] ZINC000293748321 334201990 /nfs/dbraw/zinc/20/19/90/334201990.db2.gz IKTALDSWPAXUFP-KRWDZBQOSA-N 0 3 324.424 3.886 20 30 DHEDHN N#CCCOCCN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000293801643 334202461 /nfs/dbraw/zinc/20/24/61/334202461.db2.gz NJQCZEYCBUELQY-UHFFFAOYSA-N 0 3 321.424 3.643 20 30 DHEDHN Cc1c(Cl)cccc1N1CCCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000294025193 334204797 /nfs/dbraw/zinc/20/47/97/334204797.db2.gz HSVSYGHJXNKBCQ-CVEARBPZSA-N 0 3 317.864 3.853 20 30 DHEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340456073 334207059 /nfs/dbraw/zinc/20/70/59/334207059.db2.gz VBKWYIAXKROHOP-OFQRWUPVSA-N 0 3 312.392 3.744 20 30 DHEDHN CO[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)CC1(C)C ZINC000295857898 334227945 /nfs/dbraw/zinc/22/79/45/334227945.db2.gz DYBCGHYXZKDMRW-KRWDZBQOSA-N 0 3 300.446 3.735 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000295932129 334228568 /nfs/dbraw/zinc/22/85/68/334228568.db2.gz FSWMINYXUGCESI-KGLIPLIRSA-N 0 3 314.820 3.698 20 30 DHEDHN COC[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1cccc(Cl)c1F ZINC000296339360 334232228 /nfs/dbraw/zinc/23/22/28/334232228.db2.gz HTWOMIPGOFQOQY-SLEUVZQESA-N 0 3 310.800 3.839 20 30 DHEDHN C=CC[C@H](C(=O)NCc1ccc(CN(C)C)cc1)c1ccccc1 ZINC000187484781 334263552 /nfs/dbraw/zinc/26/35/52/334263552.db2.gz QVIIKVLACQOCPV-FQEVSTJZSA-N 0 3 322.452 3.724 20 30 DHEDHN CCN(CCCOc1cccc(C#N)c1)Cc1cccs1 ZINC000048970449 334303613 /nfs/dbraw/zinc/30/36/13/334303613.db2.gz JFVQFFUVSNYPNA-UHFFFAOYSA-N 0 3 300.427 3.911 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000534657192 334314302 /nfs/dbraw/zinc/31/43/02/334314302.db2.gz QDYMVCZRXFEELH-SFHVURJKSA-N 0 3 312.800 3.865 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CC)c1ccc(C)cc1 ZINC000341035059 334403688 /nfs/dbraw/zinc/40/36/88/334403688.db2.gz IGYBCXVYBMIWCJ-FUHWJXTLSA-N 0 3 300.446 3.625 20 30 DHEDHN N#CC1(CCCN2CCC(CC(F)(F)F)CC2)CCOCC1 ZINC000341975049 334496281 /nfs/dbraw/zinc/49/62/81/334496281.db2.gz JGNHEMRFCQYEFY-UHFFFAOYSA-N 0 3 318.383 3.751 20 30 DHEDHN N#CCc1ccc(CN2CCC(F)(c3cccnc3)CC2)cc1 ZINC000342136007 334513360 /nfs/dbraw/zinc/51/33/60/334513360.db2.gz VFXWGVDWQYFQNH-UHFFFAOYSA-N 0 3 309.388 3.608 20 30 DHEDHN CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331359208 334858356 /nfs/dbraw/zinc/85/83/56/334858356.db2.gz WEOPPOAHEDBPEM-QGZVFWFLSA-N 0 3 313.445 3.915 20 30 DHEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(C(F)(F)F)c1 ZINC000189585028 334902532 /nfs/dbraw/zinc/90/25/32/334902532.db2.gz GRTSVUZCGXTEEZ-NSHDSACASA-N 0 3 307.319 3.766 20 30 DHEDHN COC(=O)[C@@H](CCN[C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000425463577 334918988 /nfs/dbraw/zinc/91/89/88/334918988.db2.gz WKAUIMZHVCQMIN-BEFAXECRSA-N 0 3 322.408 3.556 20 30 DHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000343727921 335187164 /nfs/dbraw/zinc/18/71/64/335187164.db2.gz BMJSZVOVDXOBIP-INIZCTEOSA-N 0 3 316.408 3.789 20 30 DHEDHN N#CCc1ccc(CN2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000343773720 335192023 /nfs/dbraw/zinc/19/20/23/335192023.db2.gz UWTAFOJDDOPVGB-UHFFFAOYSA-N 0 3 313.404 3.914 20 30 DHEDHN C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000346068112 335372210 /nfs/dbraw/zinc/37/22/10/335372210.db2.gz MPBJUEPAMPHHGD-BEFAXECRSA-N 0 3 323.415 3.622 20 30 DHEDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C12CCC2 ZINC000346203845 335390078 /nfs/dbraw/zinc/39/00/78/335390078.db2.gz RVEZNXRJTAVKPC-AFAVFJNCSA-N 0 3 302.393 3.696 20 30 DHEDHN Cc1c([C@H](C)NCCCC#N)cnn1-c1cccc(Cl)c1 ZINC000346821876 335443739 /nfs/dbraw/zinc/44/37/39/335443739.db2.gz GSSNTZUOUSEEII-LBPRGKRZSA-N 0 3 302.809 3.789 20 30 DHEDHN N#Cc1cccc(CN2CCC(Cc3ccccc3CO)CC2)c1 ZINC000347658582 335518177 /nfs/dbraw/zinc/51/81/77/335518177.db2.gz WIFWBXMMRVOUKY-UHFFFAOYSA-N 0 3 320.436 3.505 20 30 DHEDHN C=CCC[C@H](O)CN[C@H](CC(F)(F)F)c1ccccc1C ZINC000444784090 338488591 /nfs/dbraw/zinc/48/85/91/338488591.db2.gz URALZIQBOKBGBU-DZGCQCFKSA-N 0 3 301.352 3.905 20 30 DHEDHN CCc1ccccc1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000367067767 335627341 /nfs/dbraw/zinc/62/73/41/335627341.db2.gz SXZMMXFIFYNMIZ-UHFFFAOYSA-N 0 3 305.425 3.701 20 30 DHEDHN C=C(C)[C@@H](NC1CCC(C(=O)OC)CC1)c1ccc(F)c(F)c1 ZINC000192448037 336033056 /nfs/dbraw/zinc/03/30/56/336033056.db2.gz SCAAJQKUJXCWLF-MKTAYPAQSA-N 0 3 323.383 3.903 20 30 DHEDHN C[C@@H]1CC[C@H](NCC(=O)Nc2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000330120487 336115180 /nfs/dbraw/zinc/11/51/80/336115180.db2.gz BCLDYGVITBCRDK-WOPDTQHZSA-N 0 3 307.463 3.634 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2cccc(C(F)F)c2)nc(C)n1 ZINC000352697844 336231120 /nfs/dbraw/zinc/23/11/20/336231120.db2.gz JIBPVWMLDJYHGD-CYBMUJFWSA-N 0 3 301.296 3.521 20 30 DHEDHN Cc1cccc(C)c1OCCCNCc1ccc(C#N)cc1F ZINC000532587971 336256681 /nfs/dbraw/zinc/25/66/81/336256681.db2.gz DKHZEKNIHTWFLX-UHFFFAOYSA-N 0 3 312.388 3.873 20 30 DHEDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000192755566 336260623 /nfs/dbraw/zinc/26/06/23/336260623.db2.gz YDPPVAQZSCQTJK-KGLIPLIRSA-N 0 3 310.397 3.987 20 30 DHEDHN N#Cc1ccc(CNC[C@H]2CCCCS2)c(C(F)(F)F)c1 ZINC000352829273 336267391 /nfs/dbraw/zinc/26/73/91/336267391.db2.gz ABNKBYUGNUFEJY-CYBMUJFWSA-N 0 3 314.376 3.952 20 30 DHEDHN C=C(C)CN(Cc1ccccc1)C(=O)CCN(C)c1ccncc1 ZINC000526933796 336275489 /nfs/dbraw/zinc/27/54/89/336275489.db2.gz UMYWMBXGEYNLBO-UHFFFAOYSA-N 0 3 323.440 3.513 20 30 DHEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000216661417 336280301 /nfs/dbraw/zinc/28/03/01/336280301.db2.gz UUVHHUVNOWBQFD-CYBMUJFWSA-N 0 3 300.789 3.941 20 30 DHEDHN CC1(C)CC[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)O1 ZINC000352860280 336282076 /nfs/dbraw/zinc/28/20/76/336282076.db2.gz AFVSOZKOUBWJMP-ZDUSSCGKSA-N 0 3 312.335 3.624 20 30 DHEDHN N#Cc1ccc(NC2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000301092256 336289567 /nfs/dbraw/zinc/28/95/67/336289567.db2.gz MJJISULSFSMOJG-UHFFFAOYSA-N 0 3 309.388 3.774 20 30 DHEDHN CN(C)[C@H](CNc1c(F)cc(C#N)cc1F)c1cccs1 ZINC000301119442 336291002 /nfs/dbraw/zinc/29/10/02/336291002.db2.gz PTAQVTZLUINLLO-CYBMUJFWSA-N 0 3 307.369 3.613 20 30 DHEDHN N#Cc1ccc(NC[C@@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000301156839 336292382 /nfs/dbraw/zinc/29/23/82/336292382.db2.gz RUCHCHDPBPPEPE-IBGZPJMESA-N 0 3 309.388 3.946 20 30 DHEDHN CN(C)[C@H](CNc1cc(Cl)ccc1C#N)c1cccs1 ZINC000301215194 336295234 /nfs/dbraw/zinc/29/52/34/336295234.db2.gz ZFNIRCNMIHTPBI-CQSZACIVSA-N 0 3 305.834 3.988 20 30 DHEDHN C[C@@H](CNc1snc(Cl)c1C#N)N(C)Cc1ccccc1 ZINC000301223686 336295557 /nfs/dbraw/zinc/29/55/57/336295557.db2.gz AKCMWQDXOUJRDV-NSHDSACASA-N 0 3 320.849 3.601 20 30 DHEDHN C[C@H](c1ccccc1)N1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000301311139 336300256 /nfs/dbraw/zinc/30/02/56/336300256.db2.gz FXYBECZKLKVSMS-OAHLLOKOSA-N 0 3 306.413 3.591 20 30 DHEDHN C[C@H](CNc1ccc(F)cc1C#N)N1CCc2ccccc2C1 ZINC000301343129 336301632 /nfs/dbraw/zinc/30/16/32/336301632.db2.gz GGMBZJSSADXEBC-CQSZACIVSA-N 0 3 309.388 3.556 20 30 DHEDHN CN(C)[C@H](CNc1cc(C#N)nc2ccccc21)c1cccs1 ZINC000301354086 336302091 /nfs/dbraw/zinc/30/20/91/336302091.db2.gz NTIPWWWHTMHKIJ-QGZVFWFLSA-N 0 3 322.437 3.883 20 30 DHEDHN CN(C)[C@H](CNc1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000301370372 336303052 /nfs/dbraw/zinc/30/30/52/336303052.db2.gz PDYATKCIHGNICQ-QGZVFWFLSA-N 0 3 301.340 3.551 20 30 DHEDHN CCCCN1CCCC[C@@H]1CNc1cc(C(C)=O)ccc1C#N ZINC000302117981 336349341 /nfs/dbraw/zinc/34/93/41/336349341.db2.gz SFJOQPNWHDFPBI-GOSISDBHSA-N 0 3 313.445 3.827 20 30 DHEDHN Cc1ccc(NC[C@@H](c2ccccc2)N2CCCC2)nc1C#N ZINC000302721684 336366569 /nfs/dbraw/zinc/36/65/69/336366569.db2.gz PMHVDMMHQFRECP-SFHVURJKSA-N 0 3 306.413 3.511 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000113315361 336400602 /nfs/dbraw/zinc/40/06/02/336400602.db2.gz JCZWHAQZUVYDHQ-CQSZACIVSA-N 0 3 313.372 3.697 20 30 DHEDHN C=CCOc1ccc(CNC[C@H](C)C(F)(F)F)cc1OC ZINC000359122856 336658971 /nfs/dbraw/zinc/65/89/71/336658971.db2.gz HRQPBMUIUOJCRX-NSHDSACASA-N 0 3 303.324 3.548 20 30 DHEDHN C=C(CN[C@@H]1CCC(=O)Nc2ccc(F)cc21)c1ccccc1 ZINC000360582796 336715216 /nfs/dbraw/zinc/71/52/16/336715216.db2.gz UQPYJPSCKKEKOZ-QGZVFWFLSA-N 0 3 310.372 3.902 20 30 DHEDHN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000362035268 336782796 /nfs/dbraw/zinc/78/27/96/336782796.db2.gz CRQVCOBVLFOWQR-BEVDRBHNSA-N 0 3 306.409 3.987 20 30 DHEDHN Cc1cc(NCC2(CC#N)CC2)c2cc(OC(F)F)ccc2n1 ZINC000362360698 336793593 /nfs/dbraw/zinc/79/35/93/336793593.db2.gz UYBOPNRMBDSKEV-UHFFFAOYSA-N 0 3 317.339 3.672 20 30 DHEDHN CCCN(CCC)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000302817071 336928307 /nfs/dbraw/zinc/92/83/07/336928307.db2.gz XANQEDKMQAQWBW-UHFFFAOYSA-N 0 3 315.461 3.672 20 30 DHEDHN COc1cc(CN2CCC(c3ccc(C)nc3)CC2)ccc1C#N ZINC000375584117 337013858 /nfs/dbraw/zinc/01/38/58/337013858.db2.gz PLMHGQOGIDCITB-UHFFFAOYSA-N 0 3 321.424 3.650 20 30 DHEDHN N#CC1(CCCN2CCOC3(C2)CCCCCC3)CCOCC1 ZINC000375613686 337014679 /nfs/dbraw/zinc/01/46/79/337014679.db2.gz PCHUDNLIZJJJLT-UHFFFAOYSA-N 0 3 320.477 3.512 20 30 DHEDHN CC(C)(C#N)CCCN1CCCN(c2ccccc2F)CC1 ZINC000375803806 337019949 /nfs/dbraw/zinc/01/99/49/337019949.db2.gz FNTICZJDTVOFPD-UHFFFAOYSA-N 0 3 303.425 3.668 20 30 DHEDHN C[C@H](Nc1ccncc1-c1cccnc1)c1ccc(C#N)cc1 ZINC000376101176 337027058 /nfs/dbraw/zinc/02/70/58/337027058.db2.gz CRNSPRIYMVUBHO-AWEZNQCLSA-N 0 3 300.365 3.610 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@]3(CCCCO3)C2)cc1 ZINC000376116946 337027508 /nfs/dbraw/zinc/02/75/08/337027508.db2.gz RIDOMXCWXHZPIM-LPHOPBHVSA-N 0 3 314.429 3.513 20 30 DHEDHN Cn1cc(CN[C@@H](c2cccnc2)C2CCCCC2)cc1C#N ZINC000377208494 337048802 /nfs/dbraw/zinc/04/88/02/337048802.db2.gz JYVCQLBYHTXMJJ-LJQANCHMSA-N 0 3 308.429 3.703 20 30 DHEDHN COc1ccc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)cc1C#N ZINC000377771127 337060766 /nfs/dbraw/zinc/06/07/66/337060766.db2.gz DIPWTIPEHMTNMX-QUCCMNQESA-N 0 3 322.408 3.577 20 30 DHEDHN C=CCN1CCC(NC(=O)C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000171715088 337088548 /nfs/dbraw/zinc/08/85/48/337088548.db2.gz PNCVGEVUYLYUER-LJQANCHMSA-N 0 3 314.473 3.583 20 30 DHEDHN C=CCCCCCN(C)C(=O)Nc1cccc2c1CCNC2 ZINC000582653798 337121229 /nfs/dbraw/zinc/12/12/29/337121229.db2.gz LXQQVZGFXAKOBN-UHFFFAOYSA-N 0 3 301.434 3.542 20 30 DHEDHN COC[C@H](C)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000179371685 337167446 /nfs/dbraw/zinc/16/74/46/337167446.db2.gz LBPCYCBOOPGDTG-INIZCTEOSA-N 0 3 324.424 3.604 20 30 DHEDHN N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000321191814 337204892 /nfs/dbraw/zinc/20/48/92/337204892.db2.gz FFBMIRBRUJPPIM-OAHLLOKOSA-N 0 3 323.362 3.642 20 30 DHEDHN CCOc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1OC(F)F ZINC000185785508 337251276 /nfs/dbraw/zinc/25/12/76/337251276.db2.gz CXNACFOMZKBKOU-JSGCOSHPSA-N 0 3 324.371 3.859 20 30 DHEDHN C=CC[C@@H](CC)NCc1cc2c(cc1Br)OCO2 ZINC000393757280 337258759 /nfs/dbraw/zinc/25/87/59/337258759.db2.gz SZMXGRCKUSQJAW-LLVKDONJSA-N 0 3 312.207 3.622 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000189924589 337283646 /nfs/dbraw/zinc/28/36/46/337283646.db2.gz SVCWOYJXYIEGEC-RHSMWYFYSA-N 0 3 306.475 3.604 20 30 DHEDHN COc1ccc(CN(Cc2cc(C#N)n(C)c2)[C@H](C)C2CC2)cc1 ZINC000191190115 337294126 /nfs/dbraw/zinc/29/41/26/337294126.db2.gz GPDYVQFLWAVQAS-OAHLLOKOSA-N 0 3 323.440 3.706 20 30 DHEDHN C[C@@H]1CCSCCN1Cc1cccc(OCCCC#N)c1 ZINC000191814400 337300273 /nfs/dbraw/zinc/30/02/73/337300273.db2.gz UBYAXMJGUXYFIZ-OAHLLOKOSA-N 0 3 304.459 3.697 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1-n1cccn1 ZINC000192157105 337303532 /nfs/dbraw/zinc/30/35/32/337303532.db2.gz NCPHXJLTZFSQFI-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN Cc1nccn1-c1ccc([C@H](C)NCC#Cc2ccccc2)cc1 ZINC000192161125 337303551 /nfs/dbraw/zinc/30/35/51/337303551.db2.gz PVFRDVQWJOGPKQ-KRWDZBQOSA-N 0 3 315.420 3.883 20 30 DHEDHN Cc1cccc2c1OC[C@H](N[C@H](C)c1ccc(C#N)cc1F)C2 ZINC000583782624 337332677 /nfs/dbraw/zinc/33/26/77/337332677.db2.gz UQKBBDSMXMAGDW-CZUORRHYSA-N 0 3 310.372 3.660 20 30 DHEDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000056201686 337456390 /nfs/dbraw/zinc/45/63/90/337456390.db2.gz YNAORPOJNPFOCU-HUUCEWRRSA-N 0 3 307.397 3.545 20 30 DHEDHN N#CCc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000514688568 337473283 /nfs/dbraw/zinc/47/32/83/337473283.db2.gz OIDVXHNPDBJKFN-UHFFFAOYSA-N 0 3 324.399 3.687 20 30 DHEDHN C[C@H](NC1CCC(C)(C#N)CC1)c1nccn1-c1ccccc1 ZINC000571731814 337574278 /nfs/dbraw/zinc/57/42/78/337574278.db2.gz LLVULIVITIAOLH-LYGPFTKASA-N 0 3 308.429 3.995 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(SC)c2)CC1 ZINC000264350839 337632507 /nfs/dbraw/zinc/63/25/07/337632507.db2.gz FOFGCTTWKDMRQC-UHFFFAOYSA-N 0 3 319.474 3.571 20 30 DHEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3c2cccc3Br)C1 ZINC000424125184 337749422 /nfs/dbraw/zinc/74/94/22/337749422.db2.gz NKXGWJQKMBAZRV-RWSFTLGLSA-N 0 3 305.219 3.718 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1F ZINC000527748902 337761258 /nfs/dbraw/zinc/76/12/58/337761258.db2.gz GLEJWCRCESAYDQ-BPQIPLTHSA-N 0 3 312.775 3.779 20 30 DHEDHN COc1cccc([C@@H](CN[C@H](C)c2ccc(C#N)cc2)OC)c1 ZINC000527921375 337775117 /nfs/dbraw/zinc/77/51/17/337775117.db2.gz RMZGSODNMIMQFN-AUUYWEPGSA-N 0 3 310.397 3.605 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 ZINC000533234927 337836628 /nfs/dbraw/zinc/83/66/28/337836628.db2.gz SJWXWAFLQKRLGA-JYJNAYRXSA-N 0 3 320.502 3.629 20 30 DHEDHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000533309338 337840609 /nfs/dbraw/zinc/84/06/09/337840609.db2.gz KPDOEHRRJCPDIQ-NVXWUHKLSA-N 0 3 304.409 3.628 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2[C@H](C)CCC)CC1 ZINC000119733293 337863151 /nfs/dbraw/zinc/86/31/51/337863151.db2.gz KZFNSBDGHBKJRA-SJLPKXTDSA-N 0 3 321.509 3.637 20 30 DHEDHN C=CC1CCN(Cc2cc(OC)c(OCC)c(OC)c2)CC1 ZINC000093359313 337915455 /nfs/dbraw/zinc/91/54/55/337915455.db2.gz MUWXJONXSTYRLV-UHFFFAOYSA-N 0 3 305.418 3.501 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)OCO2 ZINC000537406008 337933491 /nfs/dbraw/zinc/93/34/91/337933491.db2.gz CAOVOSKSATXNBG-RYUDHWBXSA-N 0 3 312.344 3.838 20 30 DHEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@@H]1OCCc2sccc21 ZINC000426341555 338028010 /nfs/dbraw/zinc/02/80/10/338028010.db2.gz CUWGCXYFUPOXGO-WILYLXEWSA-N 0 3 324.449 3.899 20 30 DHEDHN COc1ccc(CN[C@@H]2CC23CCCC3)cc1OCCCC#N ZINC000428540526 338055762 /nfs/dbraw/zinc/05/57/62/338055762.db2.gz NWRMSYXGLJIXEG-GOSISDBHSA-N 0 3 314.429 3.800 20 30 DHEDHN CC[C@@H](c1ccccc1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428785192 338061107 /nfs/dbraw/zinc/06/11/07/338061107.db2.gz QFNZKODPQORDJW-ROUUACIJSA-N 0 3 307.397 3.558 20 30 DHEDHN C=CCC[C@@H](C)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000428990993 338067972 /nfs/dbraw/zinc/06/79/72/338067972.db2.gz JECISYWHEYNDRY-YGRLFVJLSA-N 0 3 316.214 3.566 20 30 DHEDHN CCOc1cc(CNCC2(CC#N)CC2)cc(Cl)c1OC ZINC000430040119 338094105 /nfs/dbraw/zinc/09/41/05/338094105.db2.gz HCPCCWQKGLJVFK-UHFFFAOYSA-N 0 3 308.809 3.531 20 30 DHEDHN Cc1cc(C)c(C#N)c(SCCN(C)Cc2ccccc2)n1 ZINC000430104904 338096818 /nfs/dbraw/zinc/09/68/18/338096818.db2.gz JUGNEQXAJXBKNZ-UHFFFAOYSA-N 0 3 311.454 3.794 20 30 DHEDHN C=C(C)COc1cc(CN(C)C(C)(C)COC)ccc1OC ZINC000430135808 338098605 /nfs/dbraw/zinc/09/86/05/338098605.db2.gz RHYITRLJFUYTEX-UHFFFAOYSA-N 0 3 307.434 3.507 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc(CC#N)c2)s1 ZINC000430620939 338110020 /nfs/dbraw/zinc/11/00/20/338110020.db2.gz CNZGQLLUSNCZLO-CQSZACIVSA-N 0 3 323.421 3.997 20 30 DHEDHN Cc1nc(-c2cccnc2)sc1[C@@H](C)NCC1(CC#N)CC1 ZINC000430749995 338113471 /nfs/dbraw/zinc/11/34/71/338113471.db2.gz MQSHOSQOWULRGQ-GFCCVEGCSA-N 0 3 312.442 3.858 20 30 DHEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](c2ccccc2)C1 ZINC000433052135 338178783 /nfs/dbraw/zinc/17/87/83/338178783.db2.gz KEABVLNAVPKDJO-GOSISDBHSA-N 0 3 306.409 3.946 20 30 DHEDHN COc1ccc(C#N)cc1CN1CCC[C@H](c2ccccc2)C1 ZINC000433052136 338178838 /nfs/dbraw/zinc/17/88/38/338178838.db2.gz KEABVLNAVPKDJO-SFHVURJKSA-N 0 3 306.409 3.946 20 30 DHEDHN CN(C)[C@H]1CCOc2c(NCC(C)(C)CCC#N)cccc21 ZINC000433183747 338184529 /nfs/dbraw/zinc/18/45/29/338184529.db2.gz SSPHQWJLTNMIET-INIZCTEOSA-N 0 3 301.434 3.814 20 30 DHEDHN CN(C)[C@H]1CCOc2c(NCc3cc(C#N)cs3)cccc21 ZINC000433189614 338184931 /nfs/dbraw/zinc/18/49/31/338184931.db2.gz OCYSXERVFJOETP-INIZCTEOSA-N 0 3 313.426 3.617 20 30 DHEDHN CN(C)[C@@H]1CCOc2c(NCc3cc(C#N)cs3)cccc21 ZINC000433189615 338184948 /nfs/dbraw/zinc/18/49/48/338184948.db2.gz OCYSXERVFJOETP-MRXNPFEDSA-N 0 3 313.426 3.617 20 30 DHEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(C#N)CCc1ccccc1 ZINC000433344190 338193426 /nfs/dbraw/zinc/19/34/26/338193426.db2.gz QQXNLRZFCUVPBI-BVBHFADKSA-N 0 3 310.441 3.939 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2c(Cl)ccc(C)c2C)CC1 ZINC000434487912 338218035 /nfs/dbraw/zinc/21/80/35/338218035.db2.gz YVFJBFDFOWAADQ-UHFFFAOYSA-N 0 3 321.852 3.729 20 30 DHEDHN Cc1cccc(C)c1OC[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000435466301 338240956 /nfs/dbraw/zinc/24/09/56/338240956.db2.gz UJTVIGPZQRTIBQ-WMZOPIPTSA-N 0 3 322.408 3.699 20 30 DHEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccccc1Br ZINC000435723799 338246260 /nfs/dbraw/zinc/24/62/60/338246260.db2.gz ABBJGSTUKFYFCD-DZGCQCFKSA-N 0 3 310.235 3.520 20 30 DHEDHN C[C@@H](Cc1cccs1)NC(=O)C(C#N)CCc1ccccc1 ZINC000435929759 338252992 /nfs/dbraw/zinc/25/29/92/338252992.db2.gz UEMLXIXGCCYODR-GOEBONIOSA-N 0 3 312.438 3.568 20 30 DHEDHN Cc1cc([C@@H]2CCCN2C(=O)C(C)C#N)ccc1Br ZINC000435973791 338254679 /nfs/dbraw/zinc/25/46/79/338254679.db2.gz GKRMTCASQQKVMD-FZMZJTMJSA-N 0 3 321.218 3.581 20 30 DHEDHN C=C(CNCc1cnn(Cc2ccc(F)cc2)c1)c1ccccc1 ZINC000436229435 338262540 /nfs/dbraw/zinc/26/25/40/338262540.db2.gz FBMDLOWJLCERDX-UHFFFAOYSA-N 0 3 321.399 3.874 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1c[nH]nc1-c1ccsc1 ZINC000437795301 338321889 /nfs/dbraw/zinc/32/18/89/338321889.db2.gz GLSSGZDHWNKEOZ-UHFFFAOYSA-N 0 3 313.426 3.962 20 30 DHEDHN CN(CCc1cccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000437876807 338323965 /nfs/dbraw/zinc/32/39/65/338323965.db2.gz YVHGNAHOJUBTRM-UHFFFAOYSA-N 0 3 322.380 3.896 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](C(C)C)C1 ZINC000438486376 338345778 /nfs/dbraw/zinc/34/57/78/338345778.db2.gz PELNVWNFNBPHIS-CVEARBPZSA-N 0 3 320.502 3.629 20 30 DHEDHN N#Cc1ccc(CN[C@@H](CCO)C2CCCCC2)c(Cl)c1 ZINC000439450119 338369751 /nfs/dbraw/zinc/36/97/51/338369751.db2.gz JJSXZCAKSMAYQH-KRWDZBQOSA-N 0 3 306.837 3.633 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000442788690 338431370 /nfs/dbraw/zinc/43/13/70/338431370.db2.gz XGMXJAQBYFXRHD-KFNAQCHYSA-N 0 3 306.356 3.947 20 30 DHEDHN CC(C)[C@H](COCc1ccccc1)NCc1cccc(C#N)c1 ZINC000446741947 338534356 /nfs/dbraw/zinc/53/43/56/338534356.db2.gz DAEOEDNFWOOIRM-FQEVSTJZSA-N 0 3 308.425 3.889 20 30 DHEDHN CC[C@@H](N[C@@H](CO)c1sccc1C)c1ccc(C#N)cc1 ZINC000447585348 338559376 /nfs/dbraw/zinc/55/93/76/338559376.db2.gz JSPYIABFDZTVEM-CVEARBPZSA-N 0 3 300.427 3.703 20 30 DHEDHN C=CCC1(C(=O)NCc2ccccc2CN(C)C)CCCC1 ZINC000449109427 338594310 /nfs/dbraw/zinc/59/43/10/338594310.db2.gz WQJCVSWLCSMAHZ-UHFFFAOYSA-N 0 3 300.446 3.501 20 30 DHEDHN C=CCCOCCNCc1cnc(-c2ccccc2F)s1 ZINC000449205114 338602388 /nfs/dbraw/zinc/60/23/88/338602388.db2.gz KZDUVHIZBYYKKC-UHFFFAOYSA-N 0 3 306.406 3.632 20 30 DHEDHN CC(C)OCCOC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000451953246 338748904 /nfs/dbraw/zinc/74/89/04/338748904.db2.gz SAIBBPIWHJLWCF-INIZCTEOSA-N 0 3 316.445 3.525 20 30 DHEDHN C[C@H]1C[C@@]1(C#N)c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000453027231 338786773 /nfs/dbraw/zinc/78/67/73/338786773.db2.gz MHZMZTHMOOJRDZ-LIRRHRJNSA-N 0 3 322.412 3.524 20 30 DHEDHN C=C(C)CCN[C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000453313143 338822932 /nfs/dbraw/zinc/82/29/32/338822932.db2.gz HNKSLTRXDAZNKO-LBPRGKRZSA-N 0 3 304.825 3.846 20 30 DHEDHN C=CCC[C@H](CO)N[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000453379572 338834970 /nfs/dbraw/zinc/83/49/70/338834970.db2.gz YWXZWFVODBSTPP-UKRRQHHQSA-N 0 3 303.402 3.809 20 30 DHEDHN C=CC[C@@H](CC)N[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000467409869 339023774 /nfs/dbraw/zinc/02/37/74/339023774.db2.gz BCVJBKFNGRWDSO-SWLSCSKDSA-N 0 3 302.397 3.720 20 30 DHEDHN N#C[C@H]1CCC[C@H]1NCCCOc1cccc(C(F)(F)F)c1 ZINC000459467196 339030972 /nfs/dbraw/zinc/03/09/72/339030972.db2.gz PITWZFGVTSCQKL-IUODEOHRSA-N 0 3 312.335 3.756 20 30 DHEDHN C=CCOc1ccccc1CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459754365 339046490 /nfs/dbraw/zinc/04/64/90/339046490.db2.gz MQNPXVCJZMTJKM-RBUKOAKNSA-N 0 3 315.457 3.624 20 30 DHEDHN CCC[C@H]([NH2+][C@@H](C)C(=O)[N-]c1oc(C)c(C)c1C#N)C1CCC1 ZINC000459807979 339049405 /nfs/dbraw/zinc/04/94/05/339049405.db2.gz RSGMZZZOSGJNTP-LRDDRELGSA-N 0 3 317.433 3.654 20 30 DHEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000462271234 339075152 /nfs/dbraw/zinc/07/51/52/339075152.db2.gz NDJYUEJHVZZCGW-HNNXBMFYSA-N 0 3 321.424 3.671 20 30 DHEDHN C=CCOc1ccc(CNC[C@@H](C)Oc2cccc(F)c2)cc1 ZINC000462733759 339085483 /nfs/dbraw/zinc/08/54/83/339085483.db2.gz KBUDDEQLOLDSMJ-OAHLLOKOSA-N 0 3 315.388 3.948 20 30 DHEDHN C=CC[C@H](CO)CN[C@H](C)c1csc(-c2ccccc2F)n1 ZINC000462807448 339090412 /nfs/dbraw/zinc/09/04/12/339090412.db2.gz SEPOWXYGGBRMOC-OLZOCXBDSA-N 0 3 320.433 3.784 20 30 DHEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC#Cc2ccccc2)C1 ZINC000463217325 339110020 /nfs/dbraw/zinc/11/00/20/339110020.db2.gz CCHMXECXSLEDAI-WLRLJWMZSA-N 0 3 311.469 3.690 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000464653574 339147932 /nfs/dbraw/zinc/14/79/32/339147932.db2.gz SWEMHMYIKWBNGV-QAPCUYQASA-N 0 3 302.462 3.570 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000464653572 339147945 /nfs/dbraw/zinc/14/79/45/339147945.db2.gz SWEMHMYIKWBNGV-CRAIPNDOSA-N 0 3 302.462 3.570 20 30 DHEDHN CCC[C@@]1(C)CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000464840429 339156845 /nfs/dbraw/zinc/15/68/45/339156845.db2.gz UXRWEQJBMOWOEX-IBGZPJMESA-N 0 3 316.445 3.848 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000467428313 339237893 /nfs/dbraw/zinc/23/78/93/339237893.db2.gz PZIVQUAVYBHSOB-HXUWFJFHSA-N 0 3 314.473 3.891 20 30 DHEDHN C[C@H](NC[C@H](CO)CC1CCCC1)c1ccc(C#N)cc1F ZINC000467455338 339239716 /nfs/dbraw/zinc/23/97/16/339239716.db2.gz KZJCOGGADHRHLL-XJKSGUPXSA-N 0 3 304.409 3.537 20 30 DHEDHN C[C@@H](NC[C@H](CO)CC1CCCC1)c1ccc(C#N)cc1F ZINC000467455337 339239780 /nfs/dbraw/zinc/23/97/80/339239780.db2.gz KZJCOGGADHRHLL-CZUORRHYSA-N 0 3 304.409 3.537 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000467505988 339240494 /nfs/dbraw/zinc/24/04/94/339240494.db2.gz YNBZXDXIEJYXJQ-PKOBYXMFSA-N 0 3 302.462 3.570 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000467829341 339247161 /nfs/dbraw/zinc/24/71/61/339247161.db2.gz UOQIQLPPDFQYOP-LJQANCHMSA-N 0 3 312.457 3.708 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@](C)(CC)C1 ZINC000468126585 339254865 /nfs/dbraw/zinc/25/48/65/339254865.db2.gz LADXPRSPGTWUGB-CRAIPNDOSA-N 0 3 320.502 3.773 20 30 DHEDHN CN(Cc1ccc(F)c(C#N)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000468269754 339258281 /nfs/dbraw/zinc/25/82/81/339258281.db2.gz HMIWWYVXGOMUAZ-IBGZPJMESA-N 0 3 323.415 3.798 20 30 DHEDHN COc1ccccc1-c1ccc([C@H](C)NC(=O)C(C)C#N)cc1 ZINC000469721452 339296575 /nfs/dbraw/zinc/29/65/75/339296575.db2.gz VEANAIRLLJDTSV-KBPBESRZSA-N 0 3 308.381 3.699 20 30 DHEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000472581113 339374229 /nfs/dbraw/zinc/37/42/29/339374229.db2.gz MEAGTRNLVJTDOQ-JKSUJKDBSA-N 0 3 324.262 3.913 20 30 DHEDHN CCC1(c2ccc(Cl)cc2)CCN(C(=O)C(C)C#N)CC1 ZINC000473332724 339384349 /nfs/dbraw/zinc/38/43/49/339384349.db2.gz XENBXJABWZKGFS-ZDUSSCGKSA-N 0 3 304.821 3.770 20 30 DHEDHN C=C(C)[C@@H](NC(=O)[C@@H](CC)N(CC)CC)c1ccc(F)c(F)c1 ZINC000478908782 339524418 /nfs/dbraw/zinc/52/44/18/339524418.db2.gz JCCHZWOTWJQCIH-IAGOWNOFSA-N 0 3 324.415 3.819 20 30 DHEDHN C=CCCC[C@@H](C)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000483104489 339651873 /nfs/dbraw/zinc/65/18/73/339651873.db2.gz UYUFZDQTHTWFBF-OCCSQVGLSA-N 0 3 317.351 3.953 20 30 DHEDHN Cc1ccccc1[C@@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000483409643 339664271 /nfs/dbraw/zinc/66/42/71/339664271.db2.gz UONPIFHDAXIZJJ-GOSISDBHSA-N 0 3 319.452 3.746 20 30 DHEDHN CN(C)Cc1ccccc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000486381834 339726417 /nfs/dbraw/zinc/72/64/17/339726417.db2.gz RUAYZYCCZOEICC-UHFFFAOYSA-N 0 3 321.424 3.802 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000494934968 339965633 /nfs/dbraw/zinc/96/56/33/339965633.db2.gz YLKOYEJLIITCBY-CABCVRRESA-N 0 3 321.424 3.672 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1sccc1CC)C(C)C ZINC000495983517 339995935 /nfs/dbraw/zinc/99/59/35/339995935.db2.gz VWWVGRHEESYDFE-INIZCTEOSA-N 0 3 320.502 3.739 20 30 DHEDHN C=C(C)CN1CCC(N[C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000498936397 340026438 /nfs/dbraw/zinc/02/64/38/340026438.db2.gz HEQZSOHFNDVNPN-SFHVURJKSA-N 0 3 322.443 3.883 20 30 DHEDHN C=CCN1CC[C@H](N[C@H](c2cccs2)C(CC)CC)C1=O ZINC000499602097 340040650 /nfs/dbraw/zinc/04/06/50/340040650.db2.gz JIFMQEGGPHNOIK-HOCLYGCPSA-N 0 3 306.475 3.602 20 30 DHEDHN CCN(CCc1cccs1)Cc1ccc(C#N)cc1OC ZINC000501200761 340076129 /nfs/dbraw/zinc/07/61/29/340076129.db2.gz BEIJDIAGHHUFQV-UHFFFAOYSA-N 0 3 300.427 3.693 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@](C)(c2ccccc2)C1 ZINC000501239622 340076932 /nfs/dbraw/zinc/07/69/32/340076932.db2.gz LHDTVDCHKMBJJU-FQEVSTJZSA-N 0 3 306.409 3.730 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000501604508 340084855 /nfs/dbraw/zinc/08/48/55/340084855.db2.gz HYYXITNWROWIOL-HXUWFJFHSA-N 0 3 314.473 3.760 20 30 DHEDHN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCCC(C)(C)C#N ZINC000501779308 340088488 /nfs/dbraw/zinc/08/84/88/340088488.db2.gz VYVIBORJNYUOBF-ROUUACIJSA-N 0 3 313.489 3.911 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000507494092 340222815 /nfs/dbraw/zinc/22/28/15/340222815.db2.gz INWNAOTUAVDLSM-CABCVRRESA-N 0 3 320.502 3.872 20 30 DHEDHN CC(C#N)C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC000508459839 340244021 /nfs/dbraw/zinc/24/40/21/340244021.db2.gz WPWIECJVHNEIFH-HIFRSBDPSA-N 0 3 304.821 3.813 20 30 DHEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000509007478 340257928 /nfs/dbraw/zinc/25/79/28/340257928.db2.gz RUROKLQFZLCRIK-MRXNPFEDSA-N 0 3 312.413 3.593 20 30 DHEDHN COc1cccc(C2(NCCCOc3cccc(C#N)c3)CC2)c1 ZINC000510193744 340292106 /nfs/dbraw/zinc/29/21/06/340292106.db2.gz RUGBQJKAFFWZKO-UHFFFAOYSA-N 0 3 322.408 3.615 20 30 DHEDHN C=CC[C@@H](CO)CN[C@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000510686118 340306637 /nfs/dbraw/zinc/30/66/37/340306637.db2.gz UGZGBTMZPRAECS-OXQOHEQNSA-N 0 3 313.416 3.998 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)C2CCCCC2)CC1 ZINC000511438721 340327355 /nfs/dbraw/zinc/32/73/55/340327355.db2.gz KFSQDNVHDPONIW-INIZCTEOSA-N 0 3 321.509 3.637 20 30 DHEDHN C[C@H](NC[C@H](CCO)c1ccccc1)c1ccc(C#N)cc1F ZINC000512666125 340372014 /nfs/dbraw/zinc/37/20/14/340372014.db2.gz IYDQSJHMXJKHEP-YOEHRIQHSA-N 0 3 312.388 3.514 20 30 DHEDHN C[C@H](NCCN1[C@H](C)CCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512666195 340372104 /nfs/dbraw/zinc/37/21/04/340372104.db2.gz JFCKDTJZWSOXEA-KFWWJZLASA-N 0 3 303.425 3.611 20 30 DHEDHN CCOc1ccccc1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512671061 340372316 /nfs/dbraw/zinc/37/23/16/340372316.db2.gz DMSOJSVOMJINND-AWEZNQCLSA-N 0 3 312.388 3.989 20 30 DHEDHN C[C@H](c1ccccc1)[C@H](C)N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000177471363 340440744 /nfs/dbraw/zinc/44/07/44/340440744.db2.gz HIXVWFOPWJYQBU-JYJNAYRXSA-N 0 3 321.424 3.667 20 30 DHEDHN N#Cc1ccc(OCCN2CCC(c3ccccc3F)CC2)cc1 ZINC000524080304 340647010 /nfs/dbraw/zinc/64/70/10/340647010.db2.gz HTNLUVSVCJRYAS-UHFFFAOYSA-N 0 3 324.399 3.956 20 30 DHEDHN C=CCCC[C@H](C)N1CCN(c2ncnc3ccsc32)CC1 ZINC000540297967 340925776 /nfs/dbraw/zinc/92/57/76/340925776.db2.gz VYWUMBMEZYUTGJ-AWEZNQCLSA-N 0 3 316.474 3.558 20 30 DHEDHN C[C@@H](NCCCNc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000542488134 341009949 /nfs/dbraw/zinc/00/99/49/341009949.db2.gz AIKGGDYGUQJVON-CYBMUJFWSA-N 0 3 315.367 3.989 20 30 DHEDHN CN(CCOc1ccc(Cl)cc1)Cc1ccc(CC#N)cc1 ZINC000543140182 341033816 /nfs/dbraw/zinc/03/38/16/341033816.db2.gz UOBZTTAZHVDSQS-UHFFFAOYSA-N 0 3 314.816 3.917 20 30 DHEDHN CCc1cnccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000543576902 341049345 /nfs/dbraw/zinc/04/93/45/341049345.db2.gz VXNLXDDSWDSJDC-ZDUSSCGKSA-N 0 3 319.286 3.548 20 30 DHEDHN C=CCc1cc(CN[C@@H](CC)CC(F)(F)F)cc(OC)c1O ZINC000545466253 341126262 /nfs/dbraw/zinc/12/62/62/341126262.db2.gz DXFNXQSFZRCZAH-ZDUSSCGKSA-N 0 3 317.351 3.950 20 30 DHEDHN C=C(C)COCCN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133587720 341179321 /nfs/dbraw/zinc/17/93/21/341179321.db2.gz KFQDEBMKWHBHPI-CQSZACIVSA-N 0 3 314.351 3.660 20 30 DHEDHN N#Cc1cccc(CN2CC[C@H](COCc3ccccc3)C2)c1 ZINC000075864181 341186546 /nfs/dbraw/zinc/18/65/46/341186546.db2.gz DIXYSXSPGVAVAF-FQEVSTJZSA-N 0 3 306.409 3.597 20 30 DHEDHN C=C(C)COCCNCc1cn(-c2ccccc2)nc1C(C)C ZINC000134508186 341216582 /nfs/dbraw/zinc/21/65/82/341216582.db2.gz CFFDECWURZCPCX-UHFFFAOYSA-N 0 3 313.445 3.678 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](CC)CCCC)CC1 ZINC000078533366 341243431 /nfs/dbraw/zinc/24/34/31/341243431.db2.gz LPNULSDCUISLBM-MRXNPFEDSA-N 0 3 309.498 3.543 20 30 DHEDHN C=CCN(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000564355386 341270803 /nfs/dbraw/zinc/27/08/03/341270803.db2.gz JUDAUEGAFVJXSD-NRFANRHFSA-N 0 3 306.453 3.949 20 30 DHEDHN C=CCc1cc(CNCC(C)(C)C(F)(F)F)cc(OC)c1O ZINC000548975319 341282650 /nfs/dbraw/zinc/28/26/50/341282650.db2.gz FPZFQCWVCQPDGY-UHFFFAOYSA-N 0 3 317.351 3.807 20 30 DHEDHN CSc1ccc([C@H](CNc2ccc(C#N)cc2)N(C)C)cc1 ZINC000549285373 341290391 /nfs/dbraw/zinc/29/03/91/341290391.db2.gz GNMBBORGOZZBHZ-SFHVURJKSA-N 0 3 311.454 3.995 20 30 DHEDHN C=CCOCCN(C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000549718181 341301262 /nfs/dbraw/zinc/30/12/62/341301262.db2.gz ZXHYJSMHPAPQDG-ZDUSSCGKSA-N 0 3 301.352 3.771 20 30 DHEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC#Cc1ccccc1 ZINC000552057431 341365815 /nfs/dbraw/zinc/36/58/15/341365815.db2.gz ULUBVVCGZGVSRK-BHIFYINESA-N 0 3 319.448 3.979 20 30 DHEDHN COc1ccc(C[C@@H]2CCCN(Cc3ccc(C#N)o3)C2)cc1 ZINC000552272371 341382644 /nfs/dbraw/zinc/38/26/44/341382644.db2.gz MKIQVYZFTVQBSK-INIZCTEOSA-N 0 3 310.397 3.615 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000249091970 341393697 /nfs/dbraw/zinc/39/36/97/341393697.db2.gz DKJJYWVGEZELEU-QRWLVFNGSA-N 0 3 304.393 3.751 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000249312390 341396304 /nfs/dbraw/zinc/39/63/04/341396304.db2.gz IWMCRVPWEDAVMA-CABCVRRESA-N 0 3 306.475 3.698 20 30 DHEDHN COc1cc(CN[C@H](C)c2ccc(C#N)cc2)c2ccccc2n1 ZINC000174253568 341825502 /nfs/dbraw/zinc/82/55/02/341825502.db2.gz QRHAUBCZTNSQFK-CQSZACIVSA-N 0 3 317.392 3.966 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(CC#N)cc2)cc1OC ZINC000343748797 341852314 /nfs/dbraw/zinc/85/23/14/341852314.db2.gz IPDAMPSAYZNSJQ-AWEZNQCLSA-N 0 3 310.397 3.621 20 30 DHEDHN CC[C@@H](CNCc1cc(C#N)cs1)Oc1ccccc1F ZINC000176990459 341909757 /nfs/dbraw/zinc/90/97/57/341909757.db2.gz RPZOYVPVQWTGSB-ZDUSSCGKSA-N 0 3 304.390 3.706 20 30 DHEDHN CCCOCc1ccccc1CNCc1cc(C#N)cs1 ZINC000177686872 341923954 /nfs/dbraw/zinc/92/39/54/341923954.db2.gz IJKSTXSKLRXIBR-UHFFFAOYSA-N 0 3 300.427 3.836 20 30 DHEDHN CC[C@H](CNCc1cc(C#N)cs1)Oc1cccc(C)c1 ZINC000178613724 341959812 /nfs/dbraw/zinc/95/98/12/341959812.db2.gz GVSNEAAFXNCVBW-OAHLLOKOSA-N 0 3 300.427 3.875 20 30 DHEDHN CC(C)Oc1ccc([C@@H](O)CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000181763138 519781701 /nfs/dbraw/zinc/78/17/01/519781701.db2.gz QHCXHSVDNVQDAC-QRWLVFNGSA-N 0 3 324.424 3.730 20 30 DHEDHN CC(C)n1cnnc1[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189963531 520063649 /nfs/dbraw/zinc/06/36/49/520063649.db2.gz LGHLIBXMHWQZBU-MAUKXSAKSA-N 0 3 323.444 3.671 20 30 DHEDHN CCN(CC)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000181541975 520911603 /nfs/dbraw/zinc/91/16/03/520911603.db2.gz JYWKRNXEHGSSRF-OAHLLOKOSA-N 0 3 308.429 3.650 20 30 DHEDHN CC1CCC(N(CC(=O)Nc2ccc(C#N)cc2)C2CC2)CC1 ZINC000339218524 520938035 /nfs/dbraw/zinc/93/80/35/520938035.db2.gz SJDQGYYKTCGXTK-UHFFFAOYSA-N 0 3 311.429 3.540 20 30 DHEDHN COc1cc(C#N)ccc1OCCNC1(c2ccccc2)CCC1 ZINC000157387141 522044446 /nfs/dbraw/zinc/04/44/46/522044446.db2.gz AKLUJOFYVMKRRX-UHFFFAOYSA-N 0 3 322.408 3.615 20 30 DHEDHN CC[C@H]1CCCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000163218980 523045183 /nfs/dbraw/zinc/04/51/83/523045183.db2.gz UVJKSQRQQMASCE-HOCLYGCPSA-N 0 3 310.401 3.667 20 30 DHEDHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000245921988 524367491 /nfs/dbraw/zinc/36/74/91/524367491.db2.gz YBAPVOWCEGRAED-LAQFHYBYSA-N 0 3 310.401 3.523 20 30 DHEDHN C[C@H](Cc1ccccc1C(F)(F)F)NCc1ccc(C#N)o1 ZINC000181147221 524728913 /nfs/dbraw/zinc/72/89/13/524728913.db2.gz VJGNXIYEBWNFKM-LLVKDONJSA-N 0 3 308.303 3.891 20 30 DHEDHN Cc1cccc2oc(CCN[C@H](C)c3ccc(C#N)cc3)nc21 ZINC000266613535 524997286 /nfs/dbraw/zinc/99/72/86/524997286.db2.gz PZTLZMATUCRJAY-CQSZACIVSA-N 0 3 305.381 3.901 20 30 DHEDHN C[C@H](NCC(C)(C)NC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000181867947 525310454 /nfs/dbraw/zinc/31/04/54/525310454.db2.gz NRADUMAQIZJLLV-ZDUSSCGKSA-N 0 3 317.433 3.512 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000339426764 525437383 /nfs/dbraw/zinc/43/73/83/525437383.db2.gz XQGZHBMYVJHZHC-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H]1OCCc2sccc21 ZINC000366422085 525517611 /nfs/dbraw/zinc/51/76/11/525517611.db2.gz RQKRJVHQYFULIT-PIGZYNQJSA-N 0 3 316.401 3.551 20 30 DHEDHN C[C@@H](NCc1ccc(F)c(CN(C)C)c1)c1cccc(C#N)c1 ZINC000181755656 525522847 /nfs/dbraw/zinc/52/28/47/525522847.db2.gz DTZSKDUYFUKZMS-CQSZACIVSA-N 0 3 311.404 3.610 20 30 DHEDHN C[C@@H](NCc1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000181670880 525531962 /nfs/dbraw/zinc/53/19/62/525531962.db2.gz HYMWGYZKCRAICD-CQSZACIVSA-N 0 3 308.381 3.570 20 30 DHEDHN Cc1ccc([C@H](CN[C@H](C)c2ccc(C#N)cc2)N2CCCC2)o1 ZINC000181648579 525960747 /nfs/dbraw/zinc/96/07/47/525960747.db2.gz XTOUNUVRNXMUMF-APWZRJJASA-N 0 3 323.440 3.947 20 30 DHEDHN Cc1cc(-n2ccnc2)ccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000338353301 526076143 /nfs/dbraw/zinc/07/61/43/526076143.db2.gz KKMGJDICWQGAND-MRXNPFEDSA-N 0 3 316.408 3.903 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)s1 ZINC000182109863 526625328 /nfs/dbraw/zinc/62/53/28/526625328.db2.gz QKBYLJHDDRNRSV-HZPDHXFCSA-N 0 3 318.829 3.893 20 30 DHEDHN N#Cc1cccc(OCCCN2CCC(c3ccncc3)CC2)c1 ZINC000191651578 526725310 /nfs/dbraw/zinc/72/53/10/526725310.db2.gz CPJSELQJOJZKBZ-UHFFFAOYSA-N 0 3 321.424 3.602 20 30 DHEDHN Cc1sc(NC(=O)CN(C)[C@H]2CCCC[C@H]2C)c(C#N)c1C ZINC000246107999 526880948 /nfs/dbraw/zinc/88/09/48/526880948.db2.gz BPIHBASDWVXBKE-ABAIWWIYSA-N 0 3 319.474 3.686 20 30 DHEDHN C=CCCCCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573334205 947450177 /nfs/dbraw/zinc/45/01/77/947450177.db2.gz BBUXIXUEKBGWTH-UHFFFAOYSA-N 0 3 311.433 3.578 20 30 DHEDHN C=CCCCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573334205 947450184 /nfs/dbraw/zinc/45/01/84/947450184.db2.gz BBUXIXUEKBGWTH-UHFFFAOYSA-N 0 3 311.433 3.578 20 30 DHEDHN C=CCCCCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573334205 947450199 /nfs/dbraw/zinc/45/01/99/947450199.db2.gz BBUXIXUEKBGWTH-UHFFFAOYSA-N 0 3 311.433 3.578 20 30 DHEDHN C=CCCCCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573334205 947450210 /nfs/dbraw/zinc/45/02/10/947450210.db2.gz BBUXIXUEKBGWTH-UHFFFAOYSA-N 0 3 311.433 3.578 20 30 DHEDHN C=CCCCCN1CCc2c(c(COCC)nn2CC2CC2)C1 ZINC001209200068 1013079777 /nfs/dbraw/zinc/07/97/77/1013079777.db2.gz FZSUOPWZZNBXQT-UHFFFAOYSA-N 0 3 317.477 3.544 20 30 DHEDHN C#CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001209265625 1013138850 /nfs/dbraw/zinc/13/88/50/1013138850.db2.gz BLYAUNZQZCOGMT-UHFFFAOYSA-N 0 3 318.464 3.807 20 30 DHEDHN CC1(C)CN(c2cccc(F)c2C#N)CCN1Cc1ccccc1 ZINC000383113023 1013195776 /nfs/dbraw/zinc/19/57/76/1013195776.db2.gz QTUUPUMKIHAVMJ-UHFFFAOYSA-N 0 3 323.415 3.798 20 30 DHEDHN C=CCCCCCCCCN1CCN(c2cccnn2)CC1 ZINC001209443943 1013293248 /nfs/dbraw/zinc/29/32/48/1013293248.db2.gz INKGDJCSDNBYTK-UHFFFAOYSA-N 0 3 302.466 3.515 20 30 DHEDHN C#C[C@H](N[C@@H](C)C[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000894870746 1013572878 /nfs/dbraw/zinc/57/28/78/1013572878.db2.gz OFUFSTCEGPITDX-ZENOOKHLSA-N 0 3 322.246 3.528 20 30 DHEDHN C#C[C@H](N[C@H](C)[C@@H]1CCCOC1)c1ccc(Br)cc1 ZINC000894870058 1013570429 /nfs/dbraw/zinc/57/04/29/1013570429.db2.gz HSMZBMBMILZPRJ-XPKDYRNWSA-N 0 3 322.246 3.528 20 30 DHEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000520381854 1013726861 /nfs/dbraw/zinc/72/68/61/1013726861.db2.gz KDXKQUKPTXBKPP-LJQANCHMSA-N 0 3 312.457 3.641 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1C[C@@]1(C)Br ZINC000895018927 1013777357 /nfs/dbraw/zinc/77/73/57/1013777357.db2.gz VJZIAAKYJZTPSZ-BYCMXARLSA-N 0 3 307.235 3.725 20 30 DHEDHN CC1(C)CCCN(CCNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000328744754 1013795417 /nfs/dbraw/zinc/79/54/17/1013795417.db2.gz KPSAKSNJEJTKFQ-UHFFFAOYSA-N 0 3 319.449 3.759 20 30 DHEDHN O=C(CN[C@@H]1CCC(=O)NC12CCC2)Nc1ccccc1Cl ZINC000328686789 1013792223 /nfs/dbraw/zinc/79/22/23/1013792223.db2.gz GNBNHZQXUPAXCL-CYBMUJFWSA-N 0 3 321.808 3.559 20 30 DHEDHN CCN1CCCC[C@@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC000328770855 1013797336 /nfs/dbraw/zinc/79/73/36/1013797336.db2.gz RBOFJBCSDMYNCZ-CQSZACIVSA-N 0 3 305.422 3.511 20 30 DHEDHN Cc1cc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc2n[nH]cc21 ZINC000328993719 1013810737 /nfs/dbraw/zinc/81/07/37/1013810737.db2.gz GDOAUCBLJHYJKU-KRWDZBQOSA-N 0 3 312.417 3.866 20 30 DHEDHN CC(C)(O)C(C)(C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331316542 1013872504 /nfs/dbraw/zinc/87/25/04/1013872504.db2.gz DCBCMSSQTCWPLI-UHFFFAOYSA-N 0 3 318.461 3.527 20 30 DHEDHN C=CC[C@H](CO)N[C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000186688504 1021128827 /nfs/dbraw/zinc/12/88/27/1021128827.db2.gz VAPWEKHJDQBGFJ-SCZZXKLOSA-N 0 3 306.258 3.959 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)CC1(Br)CC1 ZINC000846770842 1032077452 /nfs/dbraw/zinc/07/74/52/1032077452.db2.gz DLWFBOOBCMQMIK-UHFFFAOYSA-N 0 3 307.235 3.698 20 30 DHEDHN CCCN(Cc1ccc(F)cc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000580136901 1014040610 /nfs/dbraw/zinc/04/06/10/1014040610.db2.gz SSJFYFONXOEVQD-KZNAEPCWSA-N 0 3 316.420 3.723 20 30 DHEDHN COCCN(Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000160443277 1014071792 /nfs/dbraw/zinc/07/17/92/1014071792.db2.gz SRAALSWXYOLKBG-KRWDZBQOSA-N 0 3 324.424 3.626 20 30 DHEDHN CC(C)c1csc(C(C#N)C(=O)Nc2cc(F)cc(F)c2)n1 ZINC000155761518 1014169831 /nfs/dbraw/zinc/16/98/31/1014169831.db2.gz AEBAYTRLQMKBBV-LBPRGKRZSA-N 0 3 321.352 3.791 20 30 DHEDHN C#CCCCCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001167412527 1014175075 /nfs/dbraw/zinc/17/50/75/1014175075.db2.gz MLJCDKPECIEJDV-IAGOWNOFSA-N 0 3 322.493 3.900 20 30 DHEDHN N#Cc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)nc1 ZINC000846805550 1032088633 /nfs/dbraw/zinc/08/86/33/1032088633.db2.gz YPBBAQSEXSTESD-UHFFFAOYSA-N 0 3 307.397 3.604 20 30 DHEDHN N#Cc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)nc1 ZINC000846805550 1032088643 /nfs/dbraw/zinc/08/86/43/1032088643.db2.gz YPBBAQSEXSTESD-UHFFFAOYSA-N 0 3 307.397 3.604 20 30 DHEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccccc1 ZINC000049224291 1014275954 /nfs/dbraw/zinc/27/59/54/1014275954.db2.gz ULLKWNJIBXHFLS-RDJZCZTQSA-N 0 3 314.429 3.586 20 30 DHEDHN COc1ccccc1C1(CNC[C@H](C#N)CCC#N)CCCC1 ZINC000521083817 1014641095 /nfs/dbraw/zinc/64/10/95/1014641095.db2.gz XEHCOPWLWFPDBG-INIZCTEOSA-N 0 3 311.429 3.540 20 30 DHEDHN COc1ccc([C@@H](NCc2c(C)cc(C#N)cc2C)C2CC2)cn1 ZINC000931338227 1032102375 /nfs/dbraw/zinc/10/23/75/1032102375.db2.gz PGWRPHBNCIOWJO-FQEVSTJZSA-N 0 3 321.424 3.820 20 30 DHEDHN CCc1nn(-c2ccccc2)c(CC)c1CN[C@H]1CC[C@H](C#N)C1 ZINC000442864423 1014752273 /nfs/dbraw/zinc/75/22/73/1014752273.db2.gz ZJCQQWXNBGAIFS-HOTGVXAUSA-N 0 3 322.456 3.779 20 30 DHEDHN CC(C)CN(CCC#N)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167457966 1014773834 /nfs/dbraw/zinc/77/38/34/1014773834.db2.gz NUDRDGNHPPTJFV-JKSUJKDBSA-N 0 3 323.481 3.551 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](CC)c1ccc(C)cc1 ZINC000341036296 1014838696 /nfs/dbraw/zinc/83/86/96/1014838696.db2.gz JQFNJFOSYHJTHB-AEFFLSMTSA-N 0 3 302.462 3.849 20 30 DHEDHN C=CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000522083668 1014887061 /nfs/dbraw/zinc/88/70/61/1014887061.db2.gz JMKXYHAOPPFSJG-HZPDHXFCSA-N 0 3 314.473 3.713 20 30 DHEDHN CCn1cc(CN2CCC[C@@H](CC#N)C2)c(-c2ccccc2)n1 ZINC000895227819 1014956618 /nfs/dbraw/zinc/95/66/18/1014956618.db2.gz DQTLYPDRORMHPC-INIZCTEOSA-N 0 3 308.429 3.696 20 30 DHEDHN Cc1ccc(C(C)(C)NCc2ccc(O[C@@H](C)C#N)cc2)cn1 ZINC000759186578 1014983006 /nfs/dbraw/zinc/98/30/06/1014983006.db2.gz MLRPFRXZYZNYGZ-HNNXBMFYSA-N 0 3 309.413 3.706 20 30 DHEDHN C=CCC[C@H](NC[C@H](O)c1ccc(OC)cc1)c1ccco1 ZINC000276387644 1015047103 /nfs/dbraw/zinc/04/71/03/1015047103.db2.gz AYMSNFFEUADAKS-IRXDYDNUSA-N 0 3 301.386 3.619 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(OC(F)F)c1 ZINC000064993078 1015084086 /nfs/dbraw/zinc/08/40/86/1015084086.db2.gz VJLPIKJLJRHGEG-UHFFFAOYSA-N 0 3 302.324 3.792 20 30 DHEDHN C=CCCCCC[C@H](C)NCc1cnc(Br)cn1 ZINC000895407452 1015138824 /nfs/dbraw/zinc/13/88/24/1015138824.db2.gz SETJTZGSVRLYIH-LBPRGKRZSA-N 0 3 312.255 3.854 20 30 DHEDHN C=CCOc1ccc(CNc2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC000656791428 1015159143 /nfs/dbraw/zinc/15/91/43/1015159143.db2.gz GJCXYLXWITZYGB-FQEVSTJZSA-N 0 3 324.424 3.524 20 30 DHEDHN C=C(CNCc1cncc(Br)c1)c1ccccc1 ZINC000341372671 1015254410 /nfs/dbraw/zinc/25/44/10/1015254410.db2.gz OFRPBMKWWUMQLN-UHFFFAOYSA-N 0 3 303.203 3.647 20 30 DHEDHN N#CCc1ccc(CNCc2cc(Br)cs2)cc1 ZINC000398966002 1015399031 /nfs/dbraw/zinc/39/90/31/1015399031.db2.gz QUYZHJHKNWJIMQ-UHFFFAOYSA-N 0 3 321.243 3.866 20 30 DHEDHN CCn1cc(CN(Cc2ccc(C#N)cc2)CC(C)C)c(C)n1 ZINC000891685258 1015526664 /nfs/dbraw/zinc/52/66/64/1015526664.db2.gz WMTINVKHCYOAGK-UHFFFAOYSA-N 0 3 310.445 3.741 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000361835348 1032118794 /nfs/dbraw/zinc/11/87/94/1032118794.db2.gz WDKGYSHMWGNXTC-XJKSGUPXSA-N 0 3 306.425 3.583 20 30 DHEDHN COCC[C@H](c1ccccc1)N(C)Cc1cc(C#N)cs1 ZINC000933773121 1015662817 /nfs/dbraw/zinc/66/28/17/1015662817.db2.gz CUYRDOYDCKVCQG-QGZVFWFLSA-N 0 3 300.427 3.829 20 30 DHEDHN CC(C)(C#N)CCCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610604771 1015664481 /nfs/dbraw/zinc/66/44/81/1015664481.db2.gz KXLPSWAEQBYSJE-UWVGGRQHSA-N 0 3 316.289 3.989 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(OCCC)cc2)cc1 ZINC000236829325 1016057101 /nfs/dbraw/zinc/05/71/01/1016057101.db2.gz KISGEJCESXDWSB-UHFFFAOYSA-N 0 3 309.409 3.777 20 30 DHEDHN C=CCCn1cc(CN[C@@H](C)CC(C)(C)c2ccccc2)nn1 ZINC000657332964 1016357133 /nfs/dbraw/zinc/35/71/33/1016357133.db2.gz SCCBYPFVADCFJZ-INIZCTEOSA-N 0 3 312.461 3.700 20 30 DHEDHN C=CCCn1cc(CNC(C)(C)Cc2ccccc2Cl)nn1 ZINC000657350428 1016407175 /nfs/dbraw/zinc/40/71/75/1016407175.db2.gz AFMBZOBNCLDYEW-UHFFFAOYSA-N 0 3 318.852 3.619 20 30 DHEDHN C=CCC[C@@H](NCc1n[nH]c(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000428323982 1016618980 /nfs/dbraw/zinc/61/89/80/1016618980.db2.gz KEIAGLQNGHRALT-CQSZACIVSA-N 0 3 324.350 3.929 20 30 DHEDHN CCCOCc1ccccc1CNCc1ccc(C#N)c(OC)c1 ZINC000281665626 1016656139 /nfs/dbraw/zinc/65/61/39/1016656139.db2.gz LENBUNACCMDWHH-UHFFFAOYSA-N 0 3 324.424 3.783 20 30 DHEDHN COc1ccc2c(c1)CCC[C@@H]2NCc1ccc(C#N)c(OC)c1 ZINC000281670912 1016658609 /nfs/dbraw/zinc/65/86/09/1016658609.db2.gz LLYLLUOKOVJSPH-IBGZPJMESA-N 0 3 322.408 3.743 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)N(CC=C)Cc1cccs1 ZINC000346974456 1016668541 /nfs/dbraw/zinc/66/85/41/1016668541.db2.gz YKYMITNMIKZJCS-OAHLLOKOSA-N 0 3 306.475 3.549 20 30 DHEDHN C=C1CCC(CNCc2ncc(Br)s2)CC1 ZINC000724552654 1016841354 /nfs/dbraw/zinc/84/13/54/1016841354.db2.gz AHLCDWWBRHNXPU-UHFFFAOYSA-N 0 3 301.253 3.742 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](c1ccccc1)C(C)C ZINC000097059936 1016871416 /nfs/dbraw/zinc/87/14/16/1016871416.db2.gz RIUKAAVEDNAAMZ-AEFFLSMTSA-N 0 3 302.462 3.786 20 30 DHEDHN CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2)c2ccccc21 ZINC000339764991 1016955234 /nfs/dbraw/zinc/95/52/34/1016955234.db2.gz XCKBWBBWEYZGCU-LIRRHRJNSA-N 0 3 319.408 3.707 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@]3(C2)CCCOC3)cc1Cl ZINC000671312562 1016959852 /nfs/dbraw/zinc/95/98/52/1016959852.db2.gz SRFFQGVBGULFHV-SFHVURJKSA-N 0 3 321.848 3.907 20 30 DHEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000523009893 1017051190 /nfs/dbraw/zinc/05/11/90/1017051190.db2.gz NQPMHVSZIMOTEM-MRXNPFEDSA-N 0 3 310.441 3.915 20 30 DHEDHN C=CCCC[C@@H](C)NCc1ncc(Br)cc1F ZINC000623485051 1017066992 /nfs/dbraw/zinc/06/69/92/1017066992.db2.gz LXHPLKLUASQWQU-SNVBAGLBSA-N 0 3 301.203 3.818 20 30 DHEDHN C#C[C@@H]1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000847032417 1032184279 /nfs/dbraw/zinc/18/42/79/1032184279.db2.gz STRAJRTWPMYWOU-QGZVFWFLSA-N 0 3 318.420 3.784 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(OC(F)F)cc1 ZINC000618742313 1032192539 /nfs/dbraw/zinc/19/25/39/1032192539.db2.gz MKFNTGLPGIHIIR-KRWDZBQOSA-N 0 3 314.335 3.937 20 30 DHEDHN Cc1ncc([C@H](C)N[C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000772960744 1032198963 /nfs/dbraw/zinc/19/89/63/1032198963.db2.gz VSFIMLKWBZURDX-NEPJUHHUSA-N 0 3 301.415 3.766 20 30 DHEDHN C[C@@H](NCc1cccc(-c2nccn2C)c1)c1cccc(C#N)c1 ZINC000362034333 1032200867 /nfs/dbraw/zinc/20/08/67/1032200867.db2.gz ATVDHTNCPVJSLX-OAHLLOKOSA-N 0 3 316.408 3.810 20 30 DHEDHN C=CC[C@H](C)N[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000116907830 1032203433 /nfs/dbraw/zinc/20/34/33/1032203433.db2.gz XYGAPLUSEKPQJH-KXBFYZLASA-N 0 3 324.424 3.929 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2[C@@H](C)CCC)CC1 ZINC000119733440 1032305744 /nfs/dbraw/zinc/30/57/44/1032305744.db2.gz KZFNSBDGHBKJRA-FUHWJXTLSA-N 0 3 321.509 3.637 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cnccc2C)c1 ZINC000772983075 1032336369 /nfs/dbraw/zinc/33/63/69/1032336369.db2.gz JCMVTKURJJXEER-NVXWUHKLSA-N 0 3 309.413 3.922 20 30 DHEDHN N#Cc1cc(CN[C@H](CN2CCCC2)c2ccccc2)cs1 ZINC000921501733 1017257752 /nfs/dbraw/zinc/25/77/52/1017257752.db2.gz NEXMNOQHZGNUHM-GOSISDBHSA-N 0 3 311.454 3.546 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(C=C)CC1 ZINC000348162647 1032479674 /nfs/dbraw/zinc/47/96/74/1032479674.db2.gz COYUYLKNRMPYRF-HNNXBMFYSA-N 0 3 318.486 3.549 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000073012073 1017090709 /nfs/dbraw/zinc/09/07/09/1017090709.db2.gz DSGLNXADHNUEIQ-GOSISDBHSA-N 0 3 322.408 3.592 20 30 DHEDHN C#CCSCCN[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000773010006 1032524882 /nfs/dbraw/zinc/52/48/82/1032524882.db2.gz FNKNQONTRMKUMZ-SNVBAGLBSA-N 0 3 319.804 3.958 20 30 DHEDHN C#CC[C@H](N[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000773117902 1032563454 /nfs/dbraw/zinc/56/34/54/1032563454.db2.gz YESCJATZVNGAQF-UZLBHIALSA-N 0 3 316.408 3.683 20 30 DHEDHN CCn1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c2ccccc21 ZINC000049405379 1011894902 /nfs/dbraw/zinc/89/49/02/1011894902.db2.gz QTFZMXJINCCJJU-HNNXBMFYSA-N 0 3 318.380 3.558 20 30 DHEDHN Cc1ccc(C#N)c(Nc2cccc(CN3CCSCC3)c2)n1 ZINC000557564615 1011913427 /nfs/dbraw/zinc/91/34/27/1011913427.db2.gz RYZLCIVPVODMBD-UHFFFAOYSA-N 0 3 324.453 3.554 20 30 DHEDHN C=CCn1cc(CN[C@@H]2CCCC[C@H](c3ccccc3)C2)nn1 ZINC000424171012 1011934635 /nfs/dbraw/zinc/93/46/35/1011934635.db2.gz KZXLSTIQAJCEET-ZWKOTPCHSA-N 0 3 310.445 3.670 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc(-c2cccs2)n1 ZINC000424173275 1011937097 /nfs/dbraw/zinc/93/70/97/1011937097.db2.gz MSHNRXVJVIGJRE-AAEUAGOBSA-N 0 3 306.456 3.552 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000424191768 1011941737 /nfs/dbraw/zinc/94/17/37/1011941737.db2.gz HYWNAIPOTXRRQY-JOYOIKCWSA-N 0 3 300.736 3.723 20 30 DHEDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424207027 1011943048 /nfs/dbraw/zinc/94/30/48/1011943048.db2.gz XCMWNMDGRGNGDM-RBUKOAKNSA-N 0 3 322.456 3.639 20 30 DHEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000186693815 1011973946 /nfs/dbraw/zinc/97/39/46/1011973946.db2.gz WCUZHZNXDQCQJU-ONGXEEELSA-N 0 3 305.752 3.529 20 30 DHEDHN COC(=O)c1cccc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425367777 1012495521 /nfs/dbraw/zinc/49/55/21/1012495521.db2.gz UOAGIQSGEHLDIW-AWEZNQCLSA-N 0 3 308.381 3.538 20 30 DHEDHN CC[C@@H](CC#N)NCC1(COc2cccc(COC)c2)CCC1 ZINC000516875927 1012851528 /nfs/dbraw/zinc/85/15/28/1012851528.db2.gz HRONLOTUDHHOOO-KRWDZBQOSA-N 0 3 316.445 3.664 20 30 DHEDHN C=CCC[C@H](NCC(=O)N1CCC[C@H](C)C1)c1ccccc1 ZINC000180045093 1017358603 /nfs/dbraw/zinc/35/86/03/1017358603.db2.gz PXRVGJCUAHVFRT-WMZOPIPTSA-N 0 3 300.446 3.542 20 30 DHEDHN C#CCCCCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000773325300 1032711512 /nfs/dbraw/zinc/71/15/12/1032711512.db2.gz KNNDDNBWGQLXDU-LJQANCHMSA-N 0 3 312.457 3.523 20 30 DHEDHN Fc1ccc(C#CCN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181194515 1017731780 /nfs/dbraw/zinc/73/17/80/1017731780.db2.gz UHHONSVODIIFKW-NQIIRXRSSA-N 0 3 323.411 3.935 20 30 DHEDHN C#CC[C@@H]1CCCN(Cc2cncc(OCc3ccccc3)c2)C1 ZINC001171490505 1032733431 /nfs/dbraw/zinc/73/34/31/1032733431.db2.gz PAWLWNASAQXESQ-GOSISDBHSA-N 0 3 320.436 3.896 20 30 DHEDHN C=CC(C)(C)CC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC001128716582 1017980534 /nfs/dbraw/zinc/98/05/34/1017980534.db2.gz LRHMIGYMQZXZIA-AEFFLSMTSA-N 0 3 312.457 3.732 20 30 DHEDHN COc1cc(C)c(CN[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000083473374 1018005821 /nfs/dbraw/zinc/00/58/21/1018005821.db2.gz AALWWTGIDCNMNH-AWEZNQCLSA-N 0 3 310.397 3.735 20 30 DHEDHN CC(C)P(CCNc1ncc([N+](=O)[O-])cc1C#N)C(C)C ZINC001162358682 1018031136 /nfs/dbraw/zinc/03/11/36/1018031136.db2.gz PZYNAYDRLMCYNA-UHFFFAOYSA-N 0 3 308.322 3.572 20 30 DHEDHN CN(CCCOc1cccc(C#N)c1)Cc1ccc(F)c(F)c1 ZINC000477145834 1032747097 /nfs/dbraw/zinc/74/70/97/1032747097.db2.gz AIOTUXMYPNAXDC-UHFFFAOYSA-N 0 3 316.351 3.737 20 30 DHEDHN C=CCCCCCN(C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000150893759 1018328697 /nfs/dbraw/zinc/32/86/97/1018328697.db2.gz XBXYEDBOABRJGR-OAHLLOKOSA-N 0 3 320.502 3.700 20 30 DHEDHN C[C@H](NCc1ccc(Cn2cccn2)cc1)c1ccc(C#N)cc1 ZINC000173883255 1018370400 /nfs/dbraw/zinc/37/04/00/1018370400.db2.gz FNUFJDZKUSZWMY-INIZCTEOSA-N 0 3 316.408 3.654 20 30 DHEDHN N#Cc1ccc(CNCCCO[C@@H]2CCCc3ccccc32)o1 ZINC000174393642 1018426191 /nfs/dbraw/zinc/42/61/91/1018426191.db2.gz MRZZSDSKQAFDHJ-LJQANCHMSA-N 0 3 310.397 3.725 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2ccc(F)c(F)c2)cc1 ZINC000765332473 1018760079 /nfs/dbraw/zinc/76/00/79/1018760079.db2.gz POAJFKNRGJFMOS-ZDUSSCGKSA-N 0 3 301.336 3.828 20 30 DHEDHN Cc1cc(C#N)ccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000676659536 1018797381 /nfs/dbraw/zinc/79/73/81/1018797381.db2.gz SWSBXAOYEVCYQB-KRWDZBQOSA-N 0 3 311.344 3.905 20 30 DHEDHN C[C@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)c2c1c(F)ccc2[O-] ZINC000842886773 1018818744 /nfs/dbraw/zinc/81/87/44/1018818744.db2.gz XUXTXLRVQZBUAT-LRDDRELGSA-N 0 3 310.372 3.935 20 30 DHEDHN N#Cc1cc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)cs1 ZINC000921926615 1019126482 /nfs/dbraw/zinc/12/64/82/1019126482.db2.gz CIWWLTKCESPSIO-KBXCAEBGSA-N 0 3 312.438 3.877 20 30 DHEDHN Cc1ccc(CC[C@H](C)NC(=N)c2ccc(Cl)cn2)cc1 ZINC001171661155 1032815878 /nfs/dbraw/zinc/81/58/78/1032815878.db2.gz YUYMSYATJGXKPC-ZDUSSCGKSA-N 0 3 301.821 3.770 20 30 DHEDHN C=C[C@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000672464225 1019237452 /nfs/dbraw/zinc/23/74/52/1019237452.db2.gz ZYKNOSVNXILFMJ-XJKSGUPXSA-N 0 3 323.868 3.597 20 30 DHEDHN C=C(C)[C@@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccc(F)c(F)c1 ZINC001128248621 1019242959 /nfs/dbraw/zinc/24/29/59/1019242959.db2.gz FPJCADKFQRHNBL-IAGOWNOFSA-N 0 3 322.399 3.571 20 30 DHEDHN COc1ccc(C)cc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000161562752 1019281656 /nfs/dbraw/zinc/28/16/56/1019281656.db2.gz CBSMWMWXTVZMGK-HNNXBMFYSA-N 0 3 310.397 3.605 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc(OCC2CC2)nc1 ZINC000921630156 1019305292 /nfs/dbraw/zinc/30/52/92/1019305292.db2.gz DFZUYVPDWIRTRG-UHFFFAOYSA-N 0 3 321.424 3.649 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2c1cccc2O ZINC000611392018 1019466704 /nfs/dbraw/zinc/46/67/04/1019466704.db2.gz IQBSXIIGYFFSJN-MOPGFXCFSA-N 0 3 304.393 3.918 20 30 DHEDHN N#Cc1ccc(NC(=O)CN[C@@H](CC2CC2)c2ccccc2)cc1 ZINC000611395499 1019468338 /nfs/dbraw/zinc/46/83/38/1019468338.db2.gz FGXCPBFQQZCTHH-IBGZPJMESA-N 0 3 319.408 3.628 20 30 DHEDHN CC(C)(C#N)CCN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000611462520 1019488736 /nfs/dbraw/zinc/48/87/36/1019488736.db2.gz NYUDSWYQRXIBLG-UHFFFAOYSA-N 0 3 324.428 3.856 20 30 DHEDHN COC[C@H](NCCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000611462955 1019490387 /nfs/dbraw/zinc/49/03/87/1019490387.db2.gz QVZFLNGPKDZHTR-AWEZNQCLSA-N 0 3 314.351 3.922 20 30 DHEDHN N#Cc1cc(CN[C@@H]2c3ccccc3CC23CCOCC3)cs1 ZINC000922139657 1019506718 /nfs/dbraw/zinc/50/67/18/1019506718.db2.gz QEYXRRFNXNTAOW-GOSISDBHSA-N 0 3 324.449 3.804 20 30 DHEDHN CC(F)(F)CCCNCc1cc(C#N)ccc1Br ZINC000922150258 1019533949 /nfs/dbraw/zinc/53/39/49/1019533949.db2.gz PDELOENCCATDBY-UHFFFAOYSA-N 0 3 317.177 3.846 20 30 DHEDHN CCCOc1cc(CNCc2cccc(C#N)c2)ccc1OC ZINC000066971997 1019655779 /nfs/dbraw/zinc/65/57/79/1019655779.db2.gz WNJOSWRPCPBZSZ-UHFFFAOYSA-N 0 3 310.397 3.645 20 30 DHEDHN CCN(C[C@@H]1COc2ccccc2O1)[C@H](C)c1ccc(C#N)cc1 ZINC000255958278 1019678468 /nfs/dbraw/zinc/67/84/68/1019678468.db2.gz DOKPTRXWXMTEIU-CRAIPNDOSA-N 0 3 322.408 3.781 20 30 DHEDHN C#CC[C@@H](CCOC)NCc1cc(Cl)cc(Cl)c1OC ZINC000858334692 1032850882 /nfs/dbraw/zinc/85/08/82/1032850882.db2.gz XRKRAWLYPLMMTJ-ZDUSSCGKSA-N 0 3 316.228 3.520 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)C2CCCCC2)c([O-])c1 ZINC000727685397 1019753525 /nfs/dbraw/zinc/75/35/25/1019753525.db2.gz LXRBNOCBPDYKOG-CVNFFVDQSA-N 0 3 318.461 3.599 20 30 DHEDHN C=C(C)CN1CCC(NC(=S)Nc2ccc(C)cc2C)CC1 ZINC000729943008 1019927580 /nfs/dbraw/zinc/92/75/80/1019927580.db2.gz WXVFTNBMFYWBOX-UHFFFAOYSA-N 0 3 317.502 3.630 20 30 DHEDHN C[C@H]1CCCCN1c1cccc(NCCc2ccc(C#N)cc2)n1 ZINC001167678614 1019967768 /nfs/dbraw/zinc/96/77/68/1019967768.db2.gz QXYYRKSAFRADNS-INIZCTEOSA-N 0 3 320.440 3.987 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(F)(c2ccccn2)CC1 ZINC000347708335 1019995028 /nfs/dbraw/zinc/99/50/28/1019995028.db2.gz PKDJOURJKFCAMJ-OAHLLOKOSA-N 0 3 309.388 3.975 20 30 DHEDHN COc1ccc(CNCc2ccc(SC)c(C#N)c2)c(C)c1 ZINC000922337500 1020017159 /nfs/dbraw/zinc/01/71/59/1020017159.db2.gz JCPBDNJDBPQNGZ-UHFFFAOYSA-N 0 3 312.438 3.887 20 30 DHEDHN N#CCOc1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000731213239 1020081470 /nfs/dbraw/zinc/08/14/70/1020081470.db2.gz YFONRUAKEJIUHW-HXUWFJFHSA-N 0 3 322.408 3.553 20 30 DHEDHN N#CCOc1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1 ZINC000731212252 1020082054 /nfs/dbraw/zinc/08/20/54/1020082054.db2.gz BHHZRZRQYVKOII-UHFFFAOYSA-N 0 3 310.372 3.897 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000124115921 1020141762 /nfs/dbraw/zinc/14/17/62/1020141762.db2.gz KNYPBHGJLXXDBR-ZIAGYGMSSA-N 0 3 307.397 3.928 20 30 DHEDHN N#Cc1ccc(CC2CC[NH+](Cc3ccccc3[O-])CC2)cc1 ZINC001203556715 1020142850 /nfs/dbraw/zinc/14/28/50/1020142850.db2.gz WIFBOIPIHCYHNM-UHFFFAOYSA-N 0 3 306.409 3.719 20 30 DHEDHN N#Cc1ccc2ncc(CN3CCC[C@@]4(CC=CCC4)C3)n2c1 ZINC000093439462 1020152664 /nfs/dbraw/zinc/15/26/64/1020152664.db2.gz FJWAVXMQMLNJQU-IBGZPJMESA-N 0 3 306.413 3.528 20 30 DHEDHN CC[C@H](C)[C@@H](C)N(CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000154975284 1020173371 /nfs/dbraw/zinc/17/33/71/1020173371.db2.gz USLJXPZWXZVQFD-WCQYABFASA-N 0 3 317.433 3.606 20 30 DHEDHN COc1ccc(CNC(C)(C)/C=C/Cl)cc1OCCCC#N ZINC000922648264 1020189752 /nfs/dbraw/zinc/18/97/52/1020189752.db2.gz GNTOGBQHQLIKOO-CMDGGOBGSA-N 0 3 322.836 3.998 20 30 DHEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000658333953 1020304813 /nfs/dbraw/zinc/30/48/13/1020304813.db2.gz XBFRTZDWOJQLTR-QFBILLFUSA-N 0 3 311.425 3.772 20 30 DHEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000156161560 1020323283 /nfs/dbraw/zinc/32/32/83/1020323283.db2.gz DJWPANUJWAHIII-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000054809935 1020403432 /nfs/dbraw/zinc/40/34/32/1020403432.db2.gz CQPRETSWPBTKQX-QGZVFWFLSA-N 0 3 308.381 3.570 20 30 DHEDHN C=CC[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccncc1 ZINC000766020128 1020461536 /nfs/dbraw/zinc/46/15/36/1020461536.db2.gz OXJOTPLSBKIMPZ-HNAYVOBHSA-N 0 3 319.412 3.630 20 30 DHEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000056201685 1020478125 /nfs/dbraw/zinc/47/81/25/1020478125.db2.gz YNAORPOJNPFOCU-GJZGRUSLSA-N 0 3 307.397 3.545 20 30 DHEDHN C=CCN1CC[C@@H](N[C@H](CC(C)C)c2ccc(Cl)cc2)C1=O ZINC000337167230 1032909974 /nfs/dbraw/zinc/90/99/74/1032909974.db2.gz ASAWSKCUIUPXQG-IAGOWNOFSA-N 0 3 320.864 3.804 20 30 DHEDHN C=CCN1CC[C@H](N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C1=O ZINC000337177567 1032910716 /nfs/dbraw/zinc/91/07/16/1032910716.db2.gz JTLZPIZKXQOGMP-IRXDYDNUSA-N 0 3 318.436 3.680 20 30 DHEDHN C=CCN1CC[C@@H](N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1=O ZINC000337177566 1032911562 /nfs/dbraw/zinc/91/15/62/1032911562.db2.gz JTLZPIZKXQOGMP-IAGOWNOFSA-N 0 3 318.436 3.680 20 30 DHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1F ZINC000365271663 1020586224 /nfs/dbraw/zinc/58/62/24/1020586224.db2.gz GZECBZNHCRALPJ-PKOBYXMFSA-N 0 3 310.372 3.565 20 30 DHEDHN C=CC[C@@H](NC(=O)Nc1cccc(CN(C)C)c1)c1ccncc1 ZINC000734516095 1020619460 /nfs/dbraw/zinc/61/94/60/1020619460.db2.gz UCSIFGHBLBQPOM-GOSISDBHSA-N 0 3 324.428 3.582 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSC(C)(C)C)nc21 ZINC000735791194 1020768120 /nfs/dbraw/zinc/76/81/20/1020768120.db2.gz WAAZJLGCEMYRSK-LLVKDONJSA-N 0 3 301.415 3.579 20 30 DHEDHN Cc1cccc2nc(C(C#N)C(=O)CSC(C)(C)C)[nH]c21 ZINC000735791194 1020768126 /nfs/dbraw/zinc/76/81/26/1020768126.db2.gz WAAZJLGCEMYRSK-LLVKDONJSA-N 0 3 301.415 3.579 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(CNc2cc(N)ncc2Cl)c1 ZINC000892527649 1020832535 /nfs/dbraw/zinc/83/25/35/1020832535.db2.gz VGSIIMGNINCEFJ-GFCCVEGCSA-N 0 3 316.792 3.610 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNc2cc(N)ncc2Cl)c1 ZINC000892527650 1020832638 /nfs/dbraw/zinc/83/26/38/1020832638.db2.gz VGSIIMGNINCEFJ-LBPRGKRZSA-N 0 3 316.792 3.610 20 30 DHEDHN CC(C)CN(CCC#N)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000739914066 1020925457 /nfs/dbraw/zinc/92/54/57/1020925457.db2.gz DSOCXRQPQJPUNW-MRXNPFEDSA-N 0 3 323.481 3.505 20 30 DHEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)c(C)c1 ZINC000414164045 1020957184 /nfs/dbraw/zinc/95/71/84/1020957184.db2.gz NYUOJTIDZMKRCZ-AWEZNQCLSA-N 0 3 310.397 3.735 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2cccc(N3CCCC3)c2)n1 ZINC000659010563 1021107788 /nfs/dbraw/zinc/10/77/88/1021107788.db2.gz PLQWBQUKHPQQHG-HNNXBMFYSA-N 0 3 311.410 3.542 20 30 DHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C(C)C)C(C)C)c1 ZINC000180452818 1021118133 /nfs/dbraw/zinc/11/81/33/1021118133.db2.gz ACMWQKAPTCQPBL-UHFFFAOYSA-N 0 3 315.461 3.669 20 30 DHEDHN CC[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000742420025 1021119799 /nfs/dbraw/zinc/11/97/99/1021119799.db2.gz UQCZDJDWTXFTDT-LJQANCHMSA-N 0 3 323.415 3.971 20 30 DHEDHN C[C@H](NCc1cccc(OCCCC#N)c1)c1cccc(O)c1 ZINC000105461353 1021164897 /nfs/dbraw/zinc/16/48/97/1021164897.db2.gz PEOKNELRVAVXTQ-HNNXBMFYSA-N 0 3 310.397 3.926 20 30 DHEDHN COc1ccccc1C(C)(C)NCc1ccc(OCC#N)cc1 ZINC000264544418 1032960137 /nfs/dbraw/zinc/96/01/37/1032960137.db2.gz ITRSYEZAXRQLRW-UHFFFAOYSA-N 0 3 310.397 3.622 20 30 DHEDHN C[C@H](NCc1cccc(Cn2ccnc2)c1)c1cccc(C#N)c1 ZINC000181471530 1021193177 /nfs/dbraw/zinc/19/31/77/1021193177.db2.gz DBJAUUQQIQWRHQ-INIZCTEOSA-N 0 3 316.408 3.654 20 30 DHEDHN C=CCCOCCN[C@H](C)c1ccc(Br)cc1F ZINC000128221549 1021202621 /nfs/dbraw/zinc/20/26/21/1021202621.db2.gz WKHMIESBXSEKRA-LLVKDONJSA-N 0 3 316.214 3.832 20 30 DHEDHN C#CCSCCN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000181096800 1021233685 /nfs/dbraw/zinc/23/36/85/1021233685.db2.gz VRDHHNOWADWISX-CYBMUJFWSA-N 0 3 302.468 3.827 20 30 DHEDHN CN(Cc1ccccc1)Cc1cccc(C(=O)OC(C)(C)C#N)c1 ZINC000181583138 1021258118 /nfs/dbraw/zinc/25/81/18/1021258118.db2.gz KFOIJXIGRKXEFG-UHFFFAOYSA-N 0 3 322.408 3.778 20 30 DHEDHN C=CCN(Cc1ccccc1F)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659255572 1021296058 /nfs/dbraw/zinc/29/60/58/1021296058.db2.gz DHCAHDUEHCVWPD-IBGZPJMESA-N 0 3 324.399 3.575 20 30 DHEDHN N#CCCOCCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000338916443 1021303960 /nfs/dbraw/zinc/30/39/60/1021303960.db2.gz KTZDOBHSBXJYKV-UHFFFAOYSA-N 0 3 313.228 3.888 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000618282022 1021345005 /nfs/dbraw/zinc/34/50/05/1021345005.db2.gz YOULZARRZGAIPS-ZDUSSCGKSA-N 0 3 306.372 3.750 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H](O)c1cccc(F)c1 ZINC000781424818 1021366290 /nfs/dbraw/zinc/36/62/90/1021366290.db2.gz ZALQXHHOCJHJFE-VNBZBWLYSA-N 0 3 316.351 3.609 20 30 DHEDHN C[C@H](O)c1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000850072819 1021411251 /nfs/dbraw/zinc/41/12/51/1021411251.db2.gz MXBRJCVLHBPRCW-HNNXBMFYSA-N 0 3 306.409 3.585 20 30 DHEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCCC#N)CC12CCCCC2 ZINC001172049153 1032977692 /nfs/dbraw/zinc/97/76/92/1032977692.db2.gz KTNWFQLYVRABOR-OAHLLOKOSA-N 0 3 321.465 3.592 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000850357124 1021486024 /nfs/dbraw/zinc/48/60/24/1021486024.db2.gz YTGWKQURHZQTBD-HNNXBMFYSA-N 0 3 319.408 3.874 20 30 DHEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCO2 ZINC000618803874 1021532443 /nfs/dbraw/zinc/53/24/43/1021532443.db2.gz JADOSMFBVFUQPC-PXAZEXFGSA-N 0 3 306.365 3.625 20 30 DHEDHN CCCCCCCOc1ccc([C@H](C)N[C@H]2CCNC2=O)cc1 ZINC000850482194 1021557041 /nfs/dbraw/zinc/55/70/41/1021557041.db2.gz QMUBBJMLVYDRHT-YJBOKZPZSA-N 0 3 318.461 3.575 20 30 DHEDHN C[C@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)c2c1c(F)ccc2[O-] ZINC000850486738 1021561963 /nfs/dbraw/zinc/56/19/63/1021561963.db2.gz DBAVZXPMUKZDCA-BLLLJJGKSA-N 0 3 310.372 3.784 20 30 DHEDHN C=C(Cl)CN[C@@H](C)Cc1ccc(F)cc1Br ZINC000309566621 1021576075 /nfs/dbraw/zinc/57/60/75/1021576075.db2.gz MIZMZNKRCGXYEI-VIFPVBQESA-N 0 3 306.606 3.861 20 30 DHEDHN N#CC(C(=O)CC1(C#N)CCCCC1)c1nc2ccccc2[nH]1 ZINC000850739785 1021634199 /nfs/dbraw/zinc/63/41/99/1021634199.db2.gz XUFHRIAUCKEZCP-ZDUSSCGKSA-N 0 3 306.369 3.603 20 30 DHEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC2(C#N)CCCCC2)c1 ZINC000850757949 1021641808 /nfs/dbraw/zinc/64/18/08/1021641808.db2.gz VPHOMZSCUVVUEB-INIZCTEOSA-N 0 3 323.396 3.507 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cccc(C)c1C ZINC000538184955 1033001379 /nfs/dbraw/zinc/00/13/79/1033001379.db2.gz OVBAFVSVORVNQQ-SJORKVTESA-N 0 3 302.462 3.767 20 30 DHEDHN CCOc1ccc(OCCNC2(c3cccc(C#N)c3)CC2)cc1 ZINC000556513600 1021751227 /nfs/dbraw/zinc/75/12/27/1021751227.db2.gz YKGPHNKKVKVCNV-UHFFFAOYSA-N 0 3 322.408 3.615 20 30 DHEDHN N#CCOc1ccc(CNCc2ccc(F)c(Cl)c2)cc1 ZINC000053149261 1021756248 /nfs/dbraw/zinc/75/62/48/1021756248.db2.gz WXEKKVZXCHYVMT-UHFFFAOYSA-N 0 3 304.752 3.671 20 30 DHEDHN COc1cc2c(cc1F)CC[C@H]2N[C@H]1CCc2cc(C#N)ccc21 ZINC000619611440 1021806256 /nfs/dbraw/zinc/80/62/56/1021806256.db2.gz WDSNOFLQPLQBOQ-RBUKOAKNSA-N 0 3 322.383 3.970 20 30 DHEDHN CC(C)(C)O[C@@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000155105331 1021923409 /nfs/dbraw/zinc/92/34/09/1021923409.db2.gz VMCPJKOKHSEBMV-MAUKXSAKSA-N 0 3 308.381 3.814 20 30 DHEDHN CCCCCCCCCN(C)C(=S)NC1CCN(C)CC1 ZINC000920312345 1022104751 /nfs/dbraw/zinc/10/47/51/1022104751.db2.gz SJKAEYMZLWDUEO-UHFFFAOYSA-N 0 3 313.555 3.638 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN(Cc2ccccc2F)CC2CC2)cc1 ZINC000852564076 1022140100 /nfs/dbraw/zinc/14/01/00/1022140100.db2.gz KRDJYCPIIIZTSH-FQEVSTJZSA-N 0 3 324.399 3.643 20 30 DHEDHN C[C@@H]1CCN(CCC(C)(C)C#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852602990 1022147085 /nfs/dbraw/zinc/14/70/85/1022147085.db2.gz DKGWTWMLSUIQRP-CABCVRRESA-N 0 3 323.481 3.551 20 30 DHEDHN COc1ccc(CN[C@]2(c3ccccc3)CC2(C)C)cc1C#N ZINC000852772350 1022174356 /nfs/dbraw/zinc/17/43/56/1022174356.db2.gz LVEIDQHQEMLWNM-FQEVSTJZSA-N 0 3 306.409 3.982 20 30 DHEDHN CC(C)[Si](C#CNC1COC(C)(C)OC1)(C(C)C)C(C)C ZINC001168905208 1022179991 /nfs/dbraw/zinc/17/99/91/1022179991.db2.gz UYJGOVBINLRTPG-UHFFFAOYSA-N 0 3 311.542 3.906 20 30 DHEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2F)C1(CC)CC ZINC001169582837 1022468212 /nfs/dbraw/zinc/46/82/12/1022468212.db2.gz UTFUVYOREAVONQ-JKSUJKDBSA-N 0 3 304.409 3.771 20 30 DHEDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000776741575 1022473510 /nfs/dbraw/zinc/47/35/10/1022473510.db2.gz VSKBIRDUDOMJJS-CQSZACIVSA-N 0 3 311.404 3.923 20 30 DHEDHN CS[C@H](C)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000103330567 1022505379 /nfs/dbraw/zinc/50/53/79/1022505379.db2.gz ORVMJZYLOMJBKM-PWSUYJOCSA-N 0 3 302.424 3.738 20 30 DHEDHN CC[C@@H](C#N)Oc1cc(CNCc2cccc(C)c2)ccc1OC ZINC000113348071 1022635154 /nfs/dbraw/zinc/63/51/54/1022635154.db2.gz FTXPZNTXBIAXRN-SFHVURJKSA-N 0 3 324.424 3.974 20 30 DHEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc(C)cc2)ccc1OC ZINC000113348069 1022635964 /nfs/dbraw/zinc/63/59/64/1022635964.db2.gz LTNNJHFEHMHLFV-GOSISDBHSA-N 0 3 324.424 3.974 20 30 DHEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc(C)cc2)ccc1OC ZINC000113348067 1022636660 /nfs/dbraw/zinc/63/66/60/1022636660.db2.gz LTNNJHFEHMHLFV-SFHVURJKSA-N 0 3 324.424 3.974 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000068706617 1022723147 /nfs/dbraw/zinc/72/31/47/1022723147.db2.gz SDXRVRWEFVBLNP-HNNXBMFYSA-N 0 3 319.408 3.536 20 30 DHEDHN N#CCCOCCN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000338983588 1022724035 /nfs/dbraw/zinc/72/40/35/1022724035.db2.gz FOJKAHBOYZHMMB-HXUWFJFHSA-N 0 3 306.409 3.564 20 30 DHEDHN CCc1oc(C(=O)C(C#N)C(=O)Nc2ccc(CC)cc2)cc1C ZINC000162430326 1022762979 /nfs/dbraw/zinc/76/29/79/1022762979.db2.gz OCBPRKKKJDMTDV-HNNXBMFYSA-N 0 3 324.380 3.674 20 30 DHEDHN CCn1ccc(CN(C)Cc2cccc(OCCCC#N)c2)c1 ZINC000616737776 1022763702 /nfs/dbraw/zinc/76/37/02/1022763702.db2.gz YELQKCQTRARSSF-UHFFFAOYSA-N 0 3 311.429 3.823 20 30 DHEDHN CCc1oc(C(=O)C(C#N)C(=O)Nc2ccc(CC)cc2)cc1C ZINC000162430463 1022764554 /nfs/dbraw/zinc/76/45/54/1022764554.db2.gz OCBPRKKKJDMTDV-OAHLLOKOSA-N 0 3 324.380 3.674 20 30 DHEDHN N#Cc1ccc(OCCCN2CCc3cccc(F)c3C2)cc1 ZINC000767773290 1022803474 /nfs/dbraw/zinc/80/34/74/1022803474.db2.gz GMNWFTFJOVVGGG-UHFFFAOYSA-N 0 3 310.372 3.525 20 30 DHEDHN C=CCC[C@@H](NCC(OC)OC)c1ccc(C(F)(F)F)cc1 ZINC000781905203 1022928893 /nfs/dbraw/zinc/92/88/93/1022928893.db2.gz SOJVZBXLTZIAOY-CQSZACIVSA-N 0 3 317.351 3.921 20 30 DHEDHN Cc1cccn2c(CN[C@@H]3CCCc4cc(C#N)ccc43)cnc12 ZINC000418143833 1022972606 /nfs/dbraw/zinc/97/26/06/1022972606.db2.gz JCJCQPUNNHKOMO-LJQANCHMSA-N 0 3 316.408 3.682 20 30 DHEDHN CC(C)(C)n1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000418152197 1022974931 /nfs/dbraw/zinc/97/49/31/1022974931.db2.gz YGBMWOFVLORRKW-SFHVURJKSA-N 0 3 308.429 3.677 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000876585616 1033097565 /nfs/dbraw/zinc/09/75/65/1033097565.db2.gz PTXOLQRWLNWGFP-LBPRGKRZSA-N 0 3 317.216 3.536 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)ccc1OCCC ZINC000876591636 1033098780 /nfs/dbraw/zinc/09/87/80/1033098780.db2.gz APOQJXRLKYYZNC-LLVKDONJSA-N 0 3 317.216 3.537 20 30 DHEDHN COc1cccc([O-])c1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000768661206 1023006674 /nfs/dbraw/zinc/00/66/74/1023006674.db2.gz AAUOCXCRVJVZQB-UHFFFAOYSA-N 0 3 324.424 3.931 20 30 DHEDHN COc1cccc([O-])c1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000768661206 1023006683 /nfs/dbraw/zinc/00/66/83/1023006683.db2.gz AAUOCXCRVJVZQB-UHFFFAOYSA-N 0 3 324.424 3.931 20 30 DHEDHN N#Cc1ccc(OCCCN2CCc3cc(F)ccc3C2)cc1 ZINC000768814017 1023026114 /nfs/dbraw/zinc/02/61/14/1023026114.db2.gz KYYLSGYHEJRKST-UHFFFAOYSA-N 0 3 310.372 3.525 20 30 DHEDHN CC(C)N(Cc1ccc(N(C)CCC#N)cc1)Cc1ccccn1 ZINC000768926090 1023058427 /nfs/dbraw/zinc/05/84/27/1023058427.db2.gz LYKGUNPFTZGKCQ-UHFFFAOYSA-N 0 3 322.456 3.842 20 30 DHEDHN C#CCN(CC)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000769111491 1023087765 /nfs/dbraw/zinc/08/77/65/1023087765.db2.gz PEVVZBFKNKNNMW-UHFFFAOYSA-N 0 3 304.393 3.592 20 30 DHEDHN C[C@H](NCc1ccc(Cn2cccn2)cc1)c1cccc(C#N)c1 ZINC000181431065 1023090090 /nfs/dbraw/zinc/09/00/90/1023090090.db2.gz ZUZPQCVVIAJTAZ-INIZCTEOSA-N 0 3 316.408 3.654 20 30 DHEDHN C[C@@H](Cc1ccc(C#N)cc1)N[C@@H](c1ncccc1F)C1CC1 ZINC001172298839 1033104440 /nfs/dbraw/zinc/10/44/40/1033104440.db2.gz BJNYNHIFXDMZEW-SCLBCKFNSA-N 0 3 309.388 3.764 20 30 DHEDHN N#Cc1csc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000769240867 1023105643 /nfs/dbraw/zinc/10/56/43/1023105643.db2.gz HAAODWICBQQSNA-ROUUACIJSA-N 0 3 312.438 3.708 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000876623412 1033108220 /nfs/dbraw/zinc/10/82/20/1033108220.db2.gz HFCFSPRVIQUVSR-LLVKDONJSA-N 0 3 321.833 3.582 20 30 DHEDHN C#CCN(Cc1cc(OC)c(OC)cc1SC)C1CCCC1 ZINC000769531635 1023173564 /nfs/dbraw/zinc/17/35/64/1023173564.db2.gz VDTOXBUHIMRCCT-UHFFFAOYSA-N 0 3 319.470 3.804 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1c1ccc(C)cc1 ZINC000876663122 1033117215 /nfs/dbraw/zinc/11/72/15/1033117215.db2.gz QKLVYKUZTNJOCM-JKSUJKDBSA-N 0 3 306.837 3.519 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000876670189 1033117472 /nfs/dbraw/zinc/11/74/72/1033117472.db2.gz ACWRKMLNKBJHIV-INIZCTEOSA-N 0 3 322.836 3.807 20 30 DHEDHN Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000876692701 1033125149 /nfs/dbraw/zinc/12/51/49/1033125149.db2.gz XUIITJHUNKKQOZ-UHFFFAOYSA-N 0 3 322.408 3.616 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCO[C@@H](C(C)C)C2)c([O-])c1 ZINC000771519836 1023448095 /nfs/dbraw/zinc/44/80/95/1023448095.db2.gz IUXPCEYOMXBMTR-MXMCTPPNSA-N 0 3 318.461 3.861 20 30 DHEDHN C=CC[C@@H]1CC[C@H](N[C@H](CC)c2nnc3n2CCCCC3)C1 ZINC000651695016 1023470358 /nfs/dbraw/zinc/47/03/58/1023470358.db2.gz YONOXQCCELYXFY-OWCLPIDISA-N 0 3 302.466 3.790 20 30 DHEDHN C=CCN(CC1CCCCC1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001126063361 1023557343 /nfs/dbraw/zinc/55/73/43/1023557343.db2.gz OSPFYEPUPCNPOL-LJQANCHMSA-N 0 3 324.484 3.794 20 30 DHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)CCO2 ZINC000787030026 1023750748 /nfs/dbraw/zinc/75/07/48/1023750748.db2.gz HPYZBHQJSHDSMX-ORAYPTAESA-N 0 3 304.393 3.831 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000662088549 1023897250 /nfs/dbraw/zinc/89/72/50/1023897250.db2.gz IYDZPSACTAIMQO-CALCHBBNSA-N 0 3 307.397 3.532 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000662088549 1023897259 /nfs/dbraw/zinc/89/72/59/1023897259.db2.gz IYDZPSACTAIMQO-CALCHBBNSA-N 0 3 307.397 3.532 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Oc2ccccc2)nn1 ZINC000662088048 1023897411 /nfs/dbraw/zinc/89/74/11/1023897411.db2.gz UGJAIHQDOWZTBL-CALCHBBNSA-N 0 3 307.397 3.952 20 30 DHEDHN CC1(C)C[C@H](NCc2ccc(C#N)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000788579319 1023909080 /nfs/dbraw/zinc/90/90/80/1023909080.db2.gz YCYLGUYMPZXCDO-SFHVURJKSA-N 0 3 321.380 3.979 20 30 DHEDHN N#Cc1ccc([C@@H](O)CN2CCC(F)(c3ccccc3)CC2)cc1 ZINC000789312469 1024045354 /nfs/dbraw/zinc/04/53/54/1024045354.db2.gz VXKWSPGPQHJODG-IBGZPJMESA-N 0 3 324.399 3.552 20 30 DHEDHN CN(C)[C@@H](C/N=C/c1ccccc1O)c1ccc(Cl)cc1 ZINC000746817212 1024080351 /nfs/dbraw/zinc/08/03/51/1024080351.db2.gz YGIAXPWSXLFGLY-ZVCOJXFSSA-N 0 3 302.805 3.767 20 30 DHEDHN C#CCCCCN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000130751660 1024210631 /nfs/dbraw/zinc/21/06/31/1024210631.db2.gz HEYMNBXLAHQKSG-LJQANCHMSA-N 0 3 324.399 3.899 20 30 DHEDHN C#Cc1ccc(CNCc2c(C3CC3)nc3sccn23)cc1 ZINC000883132336 1024254295 /nfs/dbraw/zinc/25/42/95/1024254295.db2.gz NHQWPTGHLMSXIP-UHFFFAOYSA-N 0 3 307.422 3.544 20 30 DHEDHN C=CCC[C@H](Cc1ccccc1)NCc1ncnn1C(C)(C)C ZINC000883221179 1024297690 /nfs/dbraw/zinc/29/76/90/1024297690.db2.gz VTJGBYNKSVFODN-QGZVFWFLSA-N 0 3 312.461 3.700 20 30 DHEDHN C=CCC[C@H](NCc1cnc(CC)o1)[C@@H]1Cc2ccccc2O1 ZINC000883227079 1024301150 /nfs/dbraw/zinc/30/11/50/1024301150.db2.gz KYGFYWWKNRUXJN-WMZOPIPTSA-N 0 3 312.413 3.665 20 30 DHEDHN C=CCC[C@@H](NCc1cnc(CC)o1)[C@@H]1Cc2ccccc2O1 ZINC000883227076 1024303285 /nfs/dbraw/zinc/30/32/85/1024303285.db2.gz KYGFYWWKNRUXJN-AEFFLSMTSA-N 0 3 312.413 3.665 20 30 DHEDHN Cc1cccc(C2(CNCc3nc(C#N)cs3)CCCC2)c1 ZINC000568936769 1024441193 /nfs/dbraw/zinc/44/11/93/1024441193.db2.gz XDPROXUZRIEEEE-UHFFFAOYSA-N 0 3 311.454 3.925 20 30 DHEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453346505 1024474552 /nfs/dbraw/zinc/47/45/52/1024474552.db2.gz IGHYXQDZLVJUAQ-JKSUJKDBSA-N 0 3 312.413 3.852 20 30 DHEDHN C=CCCCN(C)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000532161283 1024568364 /nfs/dbraw/zinc/56/83/64/1024568364.db2.gz WWUMRVRXGAAAAR-HNNXBMFYSA-N 0 3 306.425 3.633 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2c(O)cccc21 ZINC000585726624 1024574751 /nfs/dbraw/zinc/57/47/51/1024574751.db2.gz SXDQBTCAIGVMIV-RBUKOAKNSA-N 0 3 304.393 3.918 20 30 DHEDHN C[C@@H]1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000655729455 1024606715 /nfs/dbraw/zinc/60/67/15/1024606715.db2.gz ALJKCPXBFBIWSQ-IUODEOHRSA-N 0 3 313.388 3.931 20 30 DHEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)Sc1ccccc1 ZINC000877070775 1033226401 /nfs/dbraw/zinc/22/64/01/1033226401.db2.gz VTRWEGCTZMPKLE-GFCCVEGCSA-N 0 3 317.845 3.877 20 30 DHEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)Cc1cccs1 ZINC000877070768 1033227180 /nfs/dbraw/zinc/22/71/80/1033227180.db2.gz VNRMAMLHVOUNSG-NSHDSACASA-N 0 3 305.834 3.637 20 30 DHEDHN COCc1cccc(CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000347969829 1024666897 /nfs/dbraw/zinc/66/68/97/1024666897.db2.gz CAWXDXQNVKALHH-UHFFFAOYSA-N 0 3 318.420 3.994 20 30 DHEDHN N#Cc1cccc([C@H](O)CN2Cc3ccccc3C3(CCC3)C2)c1 ZINC001170171989 1024688638 /nfs/dbraw/zinc/68/86/38/1024688638.db2.gz DJWJIWRTSKZSKG-HXUWFJFHSA-N 0 3 318.420 3.529 20 30 DHEDHN N#Cc1csc(CN2CCC(CCCn3ccnc3)CC2)c1 ZINC000349387003 1024711469 /nfs/dbraw/zinc/71/14/69/1024711469.db2.gz UGBGBTWEJVWJPQ-UHFFFAOYSA-N 0 3 314.458 3.509 20 30 DHEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000264998023 1033230754 /nfs/dbraw/zinc/23/07/54/1033230754.db2.gz YUATVTKSFWJHGX-INIZCTEOSA-N 0 3 309.409 3.948 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N2Cc3cccnc3C2)CC1 ZINC001170379115 1024768237 /nfs/dbraw/zinc/76/82/37/1024768237.db2.gz QJVHJKVHZOLTRH-UHFFFAOYSA-N 0 3 303.409 3.801 20 30 DHEDHN CCCCCCCC(C)(C)C(=O)N1CCC2(CN(C)C2)CC1 ZINC001274801430 1024866468 /nfs/dbraw/zinc/86/64/68/1024866468.db2.gz DOXQOMDPBQYWNI-UHFFFAOYSA-N 0 3 308.510 3.927 20 30 DHEDHN C#CCCOc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000793232009 1024943886 /nfs/dbraw/zinc/94/38/86/1024943886.db2.gz UJPNEDQCAGLYSE-CJNGLKHVSA-N 0 3 311.347 3.861 20 30 DHEDHN Cc1ccccc1[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000353116544 1024952835 /nfs/dbraw/zinc/95/28/35/1024952835.db2.gz GYEBRGVITYGJOP-QGZVFWFLSA-N 0 3 316.408 3.504 20 30 DHEDHN C#CCOc1cccc(Cl)c1CN1CCC[C@@](C)(OC)CC1 ZINC000793340490 1024984161 /nfs/dbraw/zinc/98/41/61/1024984161.db2.gz OZNGONLNFWITNC-GOSISDBHSA-N 0 3 321.848 3.743 20 30 DHEDHN Cc1ccc(-c2ccccc2NC(=O)[C@@H](N)CCCC#N)s1 ZINC000877134086 1033251226 /nfs/dbraw/zinc/25/12/26/1033251226.db2.gz MJXXHBGGFINXMZ-AWEZNQCLSA-N 0 3 313.426 3.683 20 30 DHEDHN C=CCC[C@@H](CO)NCc1ccc(Cl)cc1Br ZINC000320226589 1025139125 /nfs/dbraw/zinc/13/91/25/1025139125.db2.gz ASHXGLIMAUWKCK-LBPRGKRZSA-N 0 3 318.642 3.519 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccccc1C(C)(C)C#N ZINC000135120996 1033261890 /nfs/dbraw/zinc/26/18/90/1033261890.db2.gz KAIGZRGZPBNNAO-UHFFFAOYSA-N 0 3 303.409 3.991 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc2cc[nH]c2n1 ZINC000353615699 1025152913 /nfs/dbraw/zinc/15/29/13/1025152913.db2.gz ZLNRRXNQFSGPPY-LJQANCHMSA-N 0 3 316.408 3.992 20 30 DHEDHN COc1cc(CN[C@H]2CCCc3cc(F)ccc32)ccc1C#N ZINC000353659048 1025184433 /nfs/dbraw/zinc/18/44/33/1025184433.db2.gz MBMOPZWXMRDRSZ-SFHVURJKSA-N 0 3 310.372 3.873 20 30 DHEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)C12CCCCC2 ZINC000353668690 1025191500 /nfs/dbraw/zinc/19/15/00/1025191500.db2.gz ZHYKQBUCOYWHOR-SJORKVTESA-N 0 3 302.418 3.711 20 30 DHEDHN CSc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237326678 1025237289 /nfs/dbraw/zinc/23/72/89/1025237289.db2.gz ZFPALKXLFUORBH-CQSZACIVSA-N 0 3 312.438 3.989 20 30 DHEDHN N#Cc1cccc(NC(=O)CN[C@H](c2ccccc2)C2CCC2)c1 ZINC000104700848 1025256206 /nfs/dbraw/zinc/25/62/06/1025256206.db2.gz HMQHVONHIGLCLH-HXUWFJFHSA-N 0 3 319.408 3.628 20 30 DHEDHN N#Cc1csc(CN[C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000354010823 1025318246 /nfs/dbraw/zinc/31/82/46/1025318246.db2.gz SFMPFOOENJIAJZ-KRWDZBQOSA-N 0 3 312.438 3.613 20 30 DHEDHN N#CC(C(=O)c1ccc2c(c1)oc1ccccc12)c1ccncn1 ZINC000354054152 1025338603 /nfs/dbraw/zinc/33/86/03/1025338603.db2.gz RJGPGIFWLQKLEM-HNNXBMFYSA-N 0 3 313.316 3.866 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2cccc(-n3cccc3)c2)n1 ZINC000041518771 1025409205 /nfs/dbraw/zinc/40/92/05/1025409205.db2.gz ZPZROKLARMBJIS-HNNXBMFYSA-N 0 3 307.378 3.732 20 30 DHEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000885937898 1025413391 /nfs/dbraw/zinc/41/33/91/1025413391.db2.gz MKDORPFJLCRKAZ-IAGOWNOFSA-N 0 3 318.848 3.922 20 30 DHEDHN C=C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000136583063 1025469828 /nfs/dbraw/zinc/46/98/28/1025469828.db2.gz DEAGEAFUDJZVBR-MAUKXSAKSA-N 0 3 324.424 3.504 20 30 DHEDHN N#CC1(C[C@H](O)CNC2(c3ccccc3Cl)CCC2)CCC1 ZINC000886266949 1025575239 /nfs/dbraw/zinc/57/52/39/1025575239.db2.gz BWDYDEKRZQUFMK-AWEZNQCLSA-N 0 3 318.848 3.754 20 30 DHEDHN CCOc1ccc(CNCc2ccc(SC)c(C#N)c2)cc1 ZINC000886279164 1025580279 /nfs/dbraw/zinc/58/02/79/1025580279.db2.gz RBPYONCBQKLVHB-UHFFFAOYSA-N 0 3 312.438 3.969 20 30 DHEDHN C#CC[C@@H]1CCN(Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000886366103 1025606271 /nfs/dbraw/zinc/60/62/71/1025606271.db2.gz XCMMBAYDVXZZJK-OAHLLOKOSA-N 0 3 317.392 3.735 20 30 DHEDHN CCN(Cc1cnc2onc(C)c2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000893950749 1025622037 /nfs/dbraw/zinc/62/20/37/1025622037.db2.gz AFYZJABYKWOJGV-AWEZNQCLSA-N 0 3 320.396 3.986 20 30 DHEDHN N#CCCCN(CCCO)C(c1ccccc1)c1ccccc1 ZINC000067399345 1025640087 /nfs/dbraw/zinc/64/00/87/1025640087.db2.gz FZCYGWWDUOYHJA-UHFFFAOYSA-N 0 3 308.425 3.764 20 30 DHEDHN CCOc1c(OC)cc(CN[C@@H](C)CC(C)(C)C#N)cc1OC ZINC000924873919 1026018930 /nfs/dbraw/zinc/01/89/30/1026018930.db2.gz UFMCAFQRCDXQIJ-ZDUSSCGKSA-N 0 3 320.433 3.520 20 30 DHEDHN C=CCCCCCCCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000807591173 1026095747 /nfs/dbraw/zinc/09/57/47/1026095747.db2.gz AUXQXCSTHZTRCX-GOSISDBHSA-N 0 3 319.493 3.559 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000128937351 1026132781 /nfs/dbraw/zinc/13/27/81/1026132781.db2.gz BEOOLXGYOHUMCK-FXAWDEMLSA-N 0 3 322.452 3.641 20 30 DHEDHN C#CCSCCN[C@@H](C)c1cc(Br)ccc1F ZINC000222111314 1026136381 /nfs/dbraw/zinc/13/63/81/1026136381.db2.gz WJGJDQLUGWLRLY-JTQLQIEISA-N 0 3 316.239 3.605 20 30 DHEDHN Cc1ccc(NC(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000065534586 1026171287 /nfs/dbraw/zinc/17/12/87/1026171287.db2.gz GLLSYCUTVABXAG-ZDUSSCGKSA-N 0 3 307.378 3.851 20 30 DHEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000419336179 1026179722 /nfs/dbraw/zinc/17/97/22/1026179722.db2.gz XASKUIWHYZUJFT-WOJBJXKFSA-N 0 3 322.452 3.593 20 30 DHEDHN C#Cc1ccc(CN(CC)Cc2ccc(OC)c(OC)c2)cc1 ZINC000809540148 1026547890 /nfs/dbraw/zinc/54/78/90/1026547890.db2.gz LVUKACFPFZSFNE-UHFFFAOYSA-N 0 3 309.409 3.707 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000809606265 1026561157 /nfs/dbraw/zinc/56/11/57/1026561157.db2.gz XMMBDAFOBTXTTL-NRFANRHFSA-N 0 3 321.420 3.516 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(Br)c2)cc1 ZINC000809611098 1026563524 /nfs/dbraw/zinc/56/35/24/1026563524.db2.gz QUDQHCNVBLHFDO-UHFFFAOYSA-N 0 3 300.199 3.720 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000809603622 1026573025 /nfs/dbraw/zinc/57/30/25/1026573025.db2.gz SBHWJFDNVQEYQP-UHFFFAOYSA-N 0 3 305.299 3.856 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OCCC)c(OC)c2)cc1 ZINC000809603998 1026573180 /nfs/dbraw/zinc/57/31/80/1026573180.db2.gz DXHYLEYVBPKXGU-UHFFFAOYSA-N 0 3 309.409 3.755 20 30 DHEDHN C#C[C@@H](CC)NCc1ccc(OCc2cccs2)c(OC)c1 ZINC000809686185 1026592928 /nfs/dbraw/zinc/59/29/28/1026592928.db2.gz YMMDVVVZGGOWLA-HNNXBMFYSA-N 0 3 315.438 3.837 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc2c(c1)CCO2 ZINC000810251817 1026729194 /nfs/dbraw/zinc/72/91/94/1026729194.db2.gz YPWSQSCVNHPCGG-SFHVURJKSA-N 0 3 322.408 3.743 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183368562 1026850448 /nfs/dbraw/zinc/85/04/48/1026850448.db2.gz UCDHSGIGLSSGLA-LIRRHRJNSA-N 0 3 310.372 3.912 20 30 DHEDHN COCc1ccccc1/C=C(\C)CNCc1ccc(C#N)s1 ZINC000421354417 1026958997 /nfs/dbraw/zinc/95/89/97/1026958997.db2.gz WKLLXVAFJZZNPH-NTEUORMPSA-N 0 3 312.438 3.959 20 30 DHEDHN C=CCOc1cccc(NC(=O)c2ccccc2CN(C)C)c1 ZINC000362610016 1027309454 /nfs/dbraw/zinc/30/94/54/1027309454.db2.gz YIAIMPBLELISKL-UHFFFAOYSA-N 0 3 310.397 3.565 20 30 DHEDHN C[C@H](CCC#N)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000932208363 1027412975 /nfs/dbraw/zinc/41/29/75/1027412975.db2.gz BKOAQYQHPZGNTN-ZWNOBZJWSA-N 0 3 309.207 3.555 20 30 DHEDHN CCCC(=O)Nc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000047719600 1027675632 /nfs/dbraw/zinc/67/56/32/1027675632.db2.gz LKRNOSVNXUTORY-UHFFFAOYSA-N 0 3 307.397 3.587 20 30 DHEDHN C[C@@H](NCc1cc(Cl)cc(C#N)c1)c1ccc2c(c1)CCO2 ZINC000933487391 1027742516 /nfs/dbraw/zinc/74/25/16/1027742516.db2.gz SBVYVWKILJPORZ-GFCCVEGCSA-N 0 3 312.800 3.997 20 30 DHEDHN COc1ccc([C@@H](C)NCc2ccc(OC)c(C#N)c2)cc1C ZINC000933485921 1027743148 /nfs/dbraw/zinc/74/31/48/1027743148.db2.gz OYTKWSTVXQWDNI-CQSZACIVSA-N 0 3 310.397 3.735 20 30 DHEDHN C=CC1CCN([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000600679980 1027782977 /nfs/dbraw/zinc/78/29/77/1027782977.db2.gz PRLZZYREKRBXRG-KRWDZBQOSA-N 0 3 314.473 3.710 20 30 DHEDHN C[C@@H](CN1CCC2(CC1)CC(=O)C=CO2)c1cccc(Cl)c1 ZINC000933647652 1027784070 /nfs/dbraw/zinc/78/40/70/1027784070.db2.gz JMCCLOCOZHHUMC-AWEZNQCLSA-N 0 3 319.832 3.781 20 30 DHEDHN CC(C)(C)c1cccc(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933645383 1027786197 /nfs/dbraw/zinc/78/61/97/1027786197.db2.gz NNJQISZGDRXMEN-UHFFFAOYSA-N 0 3 313.441 3.822 20 30 DHEDHN O=C1C=COC2(CCN(Cc3cc4ccccc4s3)CC2)C1 ZINC000933648489 1027786464 /nfs/dbraw/zinc/78/64/64/1027786464.db2.gz MYFCGTJBZNNNLR-UHFFFAOYSA-N 0 3 313.422 3.739 20 30 DHEDHN C=CC[C@@H](C)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000116927422 1027981858 /nfs/dbraw/zinc/98/18/58/1027981858.db2.gz OIEAUYPRSJUFBZ-LLVKDONJSA-N 0 3 320.234 3.893 20 30 DHEDHN N#CC1(CCN2Cc3ncccc3N3CCC[C@H]3C2)CCCCC1 ZINC000934493604 1028019979 /nfs/dbraw/zinc/01/99/79/1028019979.db2.gz XATKPMTXCCOGGE-KRWDZBQOSA-N 0 3 324.472 3.730 20 30 DHEDHN CC[C@@]1(CNCc2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000578053605 1028031795 /nfs/dbraw/zinc/03/17/95/1028031795.db2.gz QXOIJUKZCQEIIX-FQEVSTJZSA-N 0 3 324.399 3.665 20 30 DHEDHN Cc1cc(CN[C@H](c2ccccc2)C(C)(C)CO)ccc1C#N ZINC000578369941 1028132401 /nfs/dbraw/zinc/13/24/01/1028132401.db2.gz IVZYTEFDCGDNTB-LJQANCHMSA-N 0 3 308.425 3.716 20 30 DHEDHN C=C(C)c1cccc(NC(=O)N(CCC)[C@@H]2CCN(C)C2)c1 ZINC000934885156 1028142408 /nfs/dbraw/zinc/14/24/08/1028142408.db2.gz POWKAWICYVBJAU-QGZVFWFLSA-N 0 3 301.434 3.668 20 30 DHEDHN CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000779085464 1028208813 /nfs/dbraw/zinc/20/88/13/1028208813.db2.gz NXZKINQKHVZVRO-MRXNPFEDSA-N 0 3 314.360 3.502 20 30 DHEDHN CC(=NNc1ccc(C#N)c(Cl)c1)c1cc(F)c(N)c(F)c1 ZINC000814901462 1028267521 /nfs/dbraw/zinc/26/75/21/1028267521.db2.gz OCYYRHFWQMVUEU-UHFFFAOYSA-N 0 3 320.730 3.908 20 30 DHEDHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000579409474 1028404744 /nfs/dbraw/zinc/40/47/44/1028404744.db2.gz SVGHIUKGLHJLNH-BEFAXECRSA-N 0 3 316.408 3.789 20 30 DHEDHN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000579409477 1028405178 /nfs/dbraw/zinc/40/51/78/1028405178.db2.gz SVGHIUKGLHJLNH-KXBFYZLASA-N 0 3 316.408 3.789 20 30 DHEDHN CCCCCNC(=O)C(C#N)C(=O)CC[C@H](C)c1ccccc1 ZINC000160121886 1028458280 /nfs/dbraw/zinc/45/82/80/1028458280.db2.gz QLBOSJWRIQGKBG-RDJZCZTQSA-N 0 3 314.429 3.586 20 30 DHEDHN CC[C@@H](c1ccccc1O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000369509530 1028497348 /nfs/dbraw/zinc/49/73/48/1028497348.db2.gz KVKPUGPUHIYHQG-AZUAARDMSA-N 0 3 322.408 3.788 20 30 DHEDHN C=CC[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccncc1 ZINC000815580881 1028553702 /nfs/dbraw/zinc/55/37/02/1028553702.db2.gz SKJRCLIRRVCDNA-BLLLJJGKSA-N 0 3 312.373 3.540 20 30 DHEDHN C[C@@H](NCCCCC(C)(C)C#N)c1cn(-c2ccccc2)nn1 ZINC000370501201 1028609465 /nfs/dbraw/zinc/60/94/65/1028609465.db2.gz WEOFHJKEPOFVEG-OAHLLOKOSA-N 0 3 311.433 3.638 20 30 DHEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(Br)cc1F ZINC000565924723 1028652826 /nfs/dbraw/zinc/65/28/26/1028652826.db2.gz WTJRYMDKVJBIBS-CMPLNLGQSA-N 0 3 316.214 3.566 20 30 DHEDHN N#CC(=C([O-])c1ccc(C[NH+]2CCCCC2)cc1)c1ccccn1 ZINC000041492775 1028732579 /nfs/dbraw/zinc/73/25/79/1028732579.db2.gz JCMJEBAPXIWPSQ-GOSISDBHSA-N 0 3 319.408 3.558 20 30 DHEDHN N#C[C@@H](C(=O)c1ccc(CN2CCCCC2)cc1)c1ccccn1 ZINC000041492775 1028732591 /nfs/dbraw/zinc/73/25/91/1028732591.db2.gz JCMJEBAPXIWPSQ-GOSISDBHSA-N 0 3 319.408 3.558 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(COC(C)C)cc2)n1 ZINC000041517749 1028741219 /nfs/dbraw/zinc/74/12/19/1028741219.db2.gz MASZIMHYKCJDCQ-OAHLLOKOSA-N 0 3 314.410 3.867 20 30 DHEDHN N#CC(C(=O)CCCCC(=O)c1ccc(F)cc1)c1ccccn1 ZINC000778604201 1028942234 /nfs/dbraw/zinc/94/22/34/1028942234.db2.gz KETGBRJMFWAZKZ-INIZCTEOSA-N 0 3 324.355 3.840 20 30 DHEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000567989438 1028990722 /nfs/dbraw/zinc/99/07/22/1028990722.db2.gz GEJIOCWYDGXRHQ-CQSZACIVSA-N 0 3 309.369 3.702 20 30 DHEDHN CN1CCN(CC#Cc2ccccc2Cl)CC12CCCCC2 ZINC000568644308 1029105284 /nfs/dbraw/zinc/10/52/84/1029105284.db2.gz FIQSUQVOHSNROC-UHFFFAOYSA-N 0 3 316.876 3.642 20 30 DHEDHN CC(C)c1nccn1[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000373812648 1029139991 /nfs/dbraw/zinc/13/99/91/1029139991.db2.gz NYGZLDUOVBTZRJ-IBGZPJMESA-N 0 3 307.441 3.695 20 30 DHEDHN N#CC1(CCN2CCC[C@@](O)(C(F)(F)F)CC2)CCCCC1 ZINC000411716288 1029187604 /nfs/dbraw/zinc/18/76/04/1029187604.db2.gz FUDCDEAJIMGDHV-HNNXBMFYSA-N 0 3 318.383 3.630 20 30 DHEDHN C#CC1CCN([C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170883210 1029301734 /nfs/dbraw/zinc/30/17/34/1029301734.db2.gz DVSHQGUTYWTYIW-QGZVFWFLSA-N 0 3 318.258 3.652 20 30 DHEDHN C=C[C@H](CC)CC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001136201190 1029515538 /nfs/dbraw/zinc/51/55/38/1029515538.db2.gz ZMAYVGFCXIJETI-APWZRJJASA-N 0 3 314.473 3.542 20 30 DHEDHN C[C@H]1C[C@@H](C(F)(F)F)CCN1CCOc1cccc(C#N)c1 ZINC000451405316 1029868741 /nfs/dbraw/zinc/86/87/41/1029868741.db2.gz CRKXHBIWPJHGDY-JSGCOSHPSA-N 0 3 312.335 3.600 20 30 DHEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1cc(C)cs1 ZINC001275527586 1029927799 /nfs/dbraw/zinc/92/77/99/1029927799.db2.gz CTXNRDOTRZRAOX-SFHVURJKSA-N 0 3 318.486 3.590 20 30 DHEDHN C#Cc1ccc(CN[C@H](CC)c2cccc(OC)c2OC)cc1 ZINC000865757951 1030004938 /nfs/dbraw/zinc/00/49/38/1030004938.db2.gz SKFMXLXGUIGFMM-GOSISDBHSA-N 0 3 309.409 3.926 20 30 DHEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)CCN(CC(F)(F)F)C1 ZINC000451882408 1030042756 /nfs/dbraw/zinc/04/27/56/1030042756.db2.gz RIYKHFMQGWRFCQ-CQSZACIVSA-N 0 3 319.415 3.522 20 30 DHEDHN C[C@H]1CN(CCCCC(C)(C)C#N)CCN(CC(F)(F)F)C1 ZINC000451882407 1030043567 /nfs/dbraw/zinc/04/35/67/1030043567.db2.gz RIYKHFMQGWRFCQ-AWEZNQCLSA-N 0 3 319.415 3.522 20 30 DHEDHN N#Cc1cc(F)ccc1CNC1(Cc2ccccc2)CCOCC1 ZINC000451943886 1030063779 /nfs/dbraw/zinc/06/37/79/1030063779.db2.gz YCRYWKDLGMTSNX-UHFFFAOYSA-N 0 3 324.399 3.579 20 30 DHEDHN C=C(C)CN(CC[C@H]1CC1(Cl)Cl)Cc1ccc(CO)o1 ZINC000823116255 1030213243 /nfs/dbraw/zinc/21/32/43/1030213243.db2.gz SPMOOOLRIHMSHK-LBPRGKRZSA-N 0 3 318.244 3.734 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000533299943 1030261819 /nfs/dbraw/zinc/26/18/19/1030261819.db2.gz SNNWXVUAOKIROT-ZIAGYGMSSA-N 0 3 308.853 3.804 20 30 DHEDHN C[C@@H](CNCc1ccc(C#N)cc1F)Oc1cccc(Cl)c1 ZINC000533309073 1030265575 /nfs/dbraw/zinc/26/55/75/1030265575.db2.gz WMMGPIKLSVARFB-LBPRGKRZSA-N 0 3 318.779 3.908 20 30 DHEDHN CC(=O)Oc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000823619053 1030342066 /nfs/dbraw/zinc/34/20/66/1030342066.db2.gz WWNDLINJSFVOAF-CQSZACIVSA-N 0 3 308.381 3.677 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000533437244 1030354998 /nfs/dbraw/zinc/35/49/98/1030354998.db2.gz UCQAQYSGJIVHJQ-GFCCVEGCSA-N 0 3 314.351 3.930 20 30 DHEDHN CC(C)c1ccc(OCCNCc2ccc(C#N)cc2F)cc1 ZINC000533449456 1030358628 /nfs/dbraw/zinc/35/86/28/1030358628.db2.gz WGMZGVLVOVXTEX-UHFFFAOYSA-N 0 3 312.388 3.989 20 30 DHEDHN CC[C@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000358175679 1030359459 /nfs/dbraw/zinc/35/94/59/1030359459.db2.gz MPGJIBSLCTVOKA-SFHVURJKSA-N 0 3 316.351 3.956 20 30 DHEDHN C[C@H](NC[C@@H](c1ccsc1)N(C)C)c1ccc(C#N)cc1F ZINC000358556569 1030535483 /nfs/dbraw/zinc/53/54/83/1030535483.db2.gz MMRWEJMBCSQOGB-SJCJKPOMSA-N 0 3 317.433 3.712 20 30 DHEDHN C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358562506 1030538080 /nfs/dbraw/zinc/53/80/80/1030538080.db2.gz GXSOZIMIEZZAJY-MAUKXSAKSA-N 0 3 323.415 3.622 20 30 DHEDHN C[C@@H](CC(C)(C)C#N)Nc1cccc(CN2CCSCC2)c1 ZINC000925917877 1030547819 /nfs/dbraw/zinc/54/78/19/1030547819.db2.gz XTOOFPWNKUQHJJ-HNNXBMFYSA-N 0 3 317.502 3.976 20 30 DHEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C)s1 ZINC001275614324 1030603572 /nfs/dbraw/zinc/60/35/72/1030603572.db2.gz GVXOGTTULISXPE-SFHVURJKSA-N 0 3 318.486 3.590 20 30 DHEDHN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)CC(C)(C)C#N)CCO2 ZINC000926209670 1030657525 /nfs/dbraw/zinc/65/75/25/1030657525.db2.gz GTVXHRDBQQTAIU-BBRMVZONSA-N 0 3 302.418 3.827 20 30 DHEDHN C#CCOc1ccc(CN[C@H]2CCCN(C)c3ccccc32)cc1 ZINC000825111501 1030729123 /nfs/dbraw/zinc/72/91/23/1030729123.db2.gz NVSDNNHPHZDAFK-FQEVSTJZSA-N 0 3 320.436 3.760 20 30 DHEDHN C#Cc1cccc(CNCc2ccc3c(c2)COC(C)(C)O3)c1 ZINC000825226824 1030752352 /nfs/dbraw/zinc/75/23/52/1030752352.db2.gz MVHOEASGSRVHPV-UHFFFAOYSA-N 0 3 307.393 3.603 20 30 DHEDHN CC(C)(CC#N)CN[C@H]1CCCc2ncc(Br)cc21 ZINC000926569317 1030799541 /nfs/dbraw/zinc/79/95/41/1030799541.db2.gz QNEYKLLEIYTZOC-AWEZNQCLSA-N 0 3 322.250 3.751 20 30 DHEDHN C[C@@H]1Cc2cc(CN[C@@H]3CCc4ccc(C#N)cc43)ccc2O1 ZINC000926917967 1030991725 /nfs/dbraw/zinc/99/17/25/1030991725.db2.gz FYLHDTMCUQBHFW-BFUOFWGJSA-N 0 3 304.393 3.659 20 30 DHEDHN CCCOc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000611392766 1031053079 /nfs/dbraw/zinc/05/30/79/1031053079.db2.gz KJNMNLFUKYLTDA-LJQANCHMSA-N 0 3 321.424 3.909 20 30 DHEDHN CN(CCSC1CCCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370857 1031074759 /nfs/dbraw/zinc/07/47/59/1031074759.db2.gz KHXPJHKHZWPMGI-SFHVURJKSA-N 0 3 318.486 3.589 20 30 DHEDHN CC(C)(C#N)CCN1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844377059 1031105601 /nfs/dbraw/zinc/10/56/01/1031105601.db2.gz VIDBGSLUPSXZTE-KRWDZBQOSA-N 0 3 306.837 3.563 20 30 DHEDHN Cc1c(O)cccc1CN1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001144116802 1031255212 /nfs/dbraw/zinc/25/52/12/1031255212.db2.gz CJFNFTCANVLPNU-IBGZPJMESA-N 0 3 322.408 3.616 20 30 DHEDHN CC1(C)CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCC[C@H]21 ZINC000293048313 1031304456 /nfs/dbraw/zinc/30/44/56/1031304456.db2.gz MPABYXSVFPKKKA-CVEARBPZSA-N 0 3 322.412 3.619 20 30 DHEDHN Cc1ccnc(OC2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000360213873 1031328072 /nfs/dbraw/zinc/32/80/72/1031328072.db2.gz RYLWFGYEYJGVBR-INIZCTEOSA-N 0 3 321.424 3.866 20 30 DHEDHN C[C@H]1CC(C)(C)CC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000360274123 1031357794 /nfs/dbraw/zinc/35/77/94/1031357794.db2.gz KANSBUABQHTOGF-BBRMVZONSA-N 0 3 324.428 3.913 20 30 DHEDHN COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080449273 1031363835 /nfs/dbraw/zinc/36/38/35/1031363835.db2.gz GHGPNNLFYMGYSF-CYBMUJFWSA-N 0 3 300.383 3.765 20 30 DHEDHN C=CCc1cc(CN2CC[C@@H]2Cc2ccccc2)cc(OC)c1O ZINC000536663921 1031374456 /nfs/dbraw/zinc/37/44/56/1031374456.db2.gz WTLATJRWZIDVJD-LJQANCHMSA-N 0 3 323.436 3.946 20 30 DHEDHN C=CCCCN(C)Cc1cc(Br)c(OC)s1 ZINC000536680451 1031388648 /nfs/dbraw/zinc/38/86/48/1031388648.db2.gz QHZYVNJAEOGSBY-UHFFFAOYSA-N 0 3 304.253 3.917 20 30 DHEDHN Cc1ccc(N2CCC[C@H](NCc3ccc(C#N)cc3F)C2)cc1 ZINC000772920198 1031523800 /nfs/dbraw/zinc/52/38/00/1031523800.db2.gz DWZXFRCTPLGBSK-SFHVURJKSA-N 0 3 323.415 3.764 20 30 DHEDHN C=C[C@H](CC)CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000929472315 1031527008 /nfs/dbraw/zinc/52/70/08/1031527008.db2.gz DAQXKCDLYRGMNK-CABCVRRESA-N 0 3 306.475 3.604 20 30 DHEDHN CN(CCCCC1(C#N)CCC1)Cc1ccc([S@](C)=O)cc1 ZINC000929799399 1031611373 /nfs/dbraw/zinc/61/13/73/1031611373.db2.gz MBUYFMFROXKGIW-QFIPXVFZSA-N 0 3 318.486 3.720 20 30 DHEDHN C[C@@H]1CN(CC(C)(C)CCC#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000124149315 1031627257 /nfs/dbraw/zinc/62/72/57/1031627257.db2.gz RDILOTCJYFUIRY-GASCZTMLSA-N 0 3 323.481 3.646 20 30 DHEDHN CCN(CCC1CC1)Cc1ccc(Br)cc1C#N ZINC000385733747 1031643705 /nfs/dbraw/zinc/64/37/05/1031643705.db2.gz AFBMHHQCRVFVOZ-UHFFFAOYSA-N 0 3 307.235 3.943 20 30 DHEDHN C#Cc1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC001144576189 1031725482 /nfs/dbraw/zinc/72/54/82/1031725482.db2.gz DYBBJASYOULVFZ-UHFFFAOYSA-N 0 3 322.427 3.515 20 30 DHEDHN C#CCCCCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845880678 1031751895 /nfs/dbraw/zinc/75/18/95/1031751895.db2.gz XSZNPAZDXLLMOR-DYVFJYSZSA-N 0 3 321.348 3.659 20 30 DHEDHN Cc1cccnc1[C@@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000897630093 1031755354 /nfs/dbraw/zinc/75/53/54/1031755354.db2.gz QRYLMSHEYATGGL-ZIAGYGMSSA-N 0 3 312.442 3.534 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N[C@@H](c1ncccc1F)C1CC1 ZINC001171201585 1031759836 /nfs/dbraw/zinc/75/98/36/1031759836.db2.gz NOKCSXAFWZEVGM-FZKQIMNGSA-N 0 3 309.388 3.764 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N[C@H](c1ncccc1F)C1CC1 ZINC001171201584 1031761452 /nfs/dbraw/zinc/76/14/52/1031761452.db2.gz NOKCSXAFWZEVGM-ACJLOTCBSA-N 0 3 309.388 3.764 20 30 DHEDHN Cn1nccc1[C@@H]1CCCCN1CCCCC1(C#N)CCC1 ZINC000930308003 1031776239 /nfs/dbraw/zinc/77/62/39/1031776239.db2.gz TZSAQNQWCSNAPD-KRWDZBQOSA-N 0 3 300.450 3.811 20 30 DHEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1CCC=CCC1 ZINC000873498066 1031846187 /nfs/dbraw/zinc/84/61/87/1031846187.db2.gz RNUWFXVKSUFGBP-CYBMUJFWSA-N 0 3 316.788 3.734 20 30 DHEDHN C[C@H](N[C@@H](C)[C@@](C)(O)c1ccccc1)c1ccc(C#N)cc1F ZINC000846189688 1031923919 /nfs/dbraw/zinc/92/39/19/1031923919.db2.gz RMJOMMMGWLRBPT-CKFHNAJUSA-N 0 3 312.388 3.644 20 30 DHEDHN Cn1cc(CN2CCC[C@H]2Cc2ccccc2Cl)cc1C#N ZINC000361547704 1031980810 /nfs/dbraw/zinc/98/08/10/1031980810.db2.gz GPHGQEBJHVNOIK-INIZCTEOSA-N 0 3 313.832 3.757 20 30 DHEDHN C=CCOc1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1OC ZINC000898324107 1032021960 /nfs/dbraw/zinc/02/19/60/1032021960.db2.gz BSMRYEMTDNFHRA-HXUWFJFHSA-N 0 3 324.424 3.896 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000361648379 1032035169 /nfs/dbraw/zinc/03/51/69/1032035169.db2.gz QOMWLIVNHKYVKG-AWEZNQCLSA-N 0 3 309.394 3.743 20 30 DHEDHN CCCC[C@H]1C[C@H](N[C@@H](C)CC#N)CCN1C(=O)OC(C)(C)C ZINC001172636667 1033299017 /nfs/dbraw/zinc/29/90/17/1033299017.db2.gz PBMFVKODUGLMLL-XHSDSOJGSA-N 0 3 323.481 3.836 20 30 DHEDHN Cc1ccc2c(c1)C[C@@H](NC(=N)c1ccc3ccccc3n1)CC2 ZINC001172831801 1033395757 /nfs/dbraw/zinc/39/57/57/1033395757.db2.gz PLBPTUBSESXYTO-SFHVURJKSA-N 0 3 315.420 3.806 20 30 DHEDHN C#Cc1ccc(CN2CCC(c3nc(C4CCC4)no3)CC2)cc1 ZINC000877735903 1033426106 /nfs/dbraw/zinc/42/61/06/1033426106.db2.gz LMOFMESBMIYLIR-UHFFFAOYSA-N 0 3 321.424 3.698 20 30 DHEDHN C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1[O-] ZINC000877758255 1033435579 /nfs/dbraw/zinc/43/55/79/1033435579.db2.gz PKFZJPCXXKXGDN-HNNXBMFYSA-N 0 3 321.424 3.583 20 30 DHEDHN C[C@@H](CCN(C)C(=O)OC(C)(C)C)N(CCC#N)C1CCCC1 ZINC001172965339 1033485973 /nfs/dbraw/zinc/48/59/73/1033485973.db2.gz SNQFBRVGPNTDNH-HNNXBMFYSA-N 0 3 323.481 3.790 20 30 DHEDHN C=C[C@@](C)(O)CN1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001252556797 1033553898 /nfs/dbraw/zinc/55/38/98/1033553898.db2.gz FCFNAFXGHCMONS-XHDPSFHLSA-N 0 3 300.229 3.720 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CCC1 ZINC000478738835 1033564567 /nfs/dbraw/zinc/56/45/67/1033564567.db2.gz JDGHJHRDMAFPDX-SFHVURJKSA-N 0 3 314.473 3.714 20 30 DHEDHN CSCC[C@@H](C)N(C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878251350 1033634774 /nfs/dbraw/zinc/63/47/74/1033634774.db2.gz XOUZCHBUHFDWMX-QAPCUYQASA-N 0 3 318.486 3.500 20 30 DHEDHN CC[C@@H](CSC)N(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878343590 1033664743 /nfs/dbraw/zinc/66/47/43/1033664743.db2.gz FTIITGRGUVLILH-ZWKOTPCHSA-N 0 3 318.486 3.500 20 30 DHEDHN COC(=O)c1cc(CN[C@@H](C)c2cccc(C#N)c2)ccc1C ZINC000878361151 1033672440 /nfs/dbraw/zinc/67/24/40/1033672440.db2.gz NQCAKQGCUVUHHW-AWEZNQCLSA-N 0 3 308.381 3.504 20 30 DHEDHN CCN1CC[C@H](N(C2=CC(=O)CCC2)[C@H](C)c2ccccc2)C1 ZINC001173375509 1033719469 /nfs/dbraw/zinc/71/94/69/1033719469.db2.gz VUIWWLYYBBZPQO-APWZRJJASA-N 0 3 312.457 3.781 20 30 DHEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)C12CCCCC2 ZINC000553777199 1033833047 /nfs/dbraw/zinc/83/30/47/1033833047.db2.gz MCCLTCXTETWRLI-ZWKOTPCHSA-N 0 3 316.420 3.915 20 30 DHEDHN COC(=O)c1ccc(C[C@@H](C)N(CCC#N)C2CCCC2)cc1 ZINC001173723400 1033843958 /nfs/dbraw/zinc/84/39/58/1033843958.db2.gz JKEHKAFSURRBOB-OAHLLOKOSA-N 0 3 314.429 3.562 20 30 DHEDHN C=CC[C@@H]1CCN(Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000862440995 1033855997 /nfs/dbraw/zinc/85/59/97/1033855997.db2.gz NKPQZDBQSJLSGB-GFCCVEGCSA-N 0 3 323.462 3.888 20 30 DHEDHN C#CC[C@H]1CCN(Cc2cc(Cl)c(OCC=C)c(OC)c2)C1 ZINC000862447794 1033859098 /nfs/dbraw/zinc/85/90/98/1033859098.db2.gz RAXDJHSXXIBYNO-AWEZNQCLSA-N 0 3 319.832 3.759 20 30 DHEDHN COc1ccc([C@@H](NCc2ccc(OC)c(C#N)c2)C2CC2)cc1 ZINC000174252229 1033916372 /nfs/dbraw/zinc/91/63/72/1033916372.db2.gz BSVBLJAOCAYORO-FQEVSTJZSA-N 0 3 322.408 3.816 20 30 DHEDHN C=CCOCCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000339043007 1033917810 /nfs/dbraw/zinc/91/78/10/1033917810.db2.gz LBJVHIHLVRQCJU-NSHDSACASA-N 0 3 320.380 3.544 20 30 DHEDHN COc1ccc(CN[C@@H]2CCc3c2cccc3Cl)cc1C#N ZINC000174318909 1033921294 /nfs/dbraw/zinc/92/12/94/1033921294.db2.gz RALHWCFSSZXKTD-QGZVFWFLSA-N 0 3 312.800 3.997 20 30 DHEDHN C=C(Br)CNCC1(O)CCC(c2ccccc2)CC1 ZINC000863551253 1034127425 /nfs/dbraw/zinc/12/74/25/1034127425.db2.gz JYWPERIUFUUSAJ-UHFFFAOYSA-N 0 3 324.262 3.574 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(C(F)(F)F)CC2)c([O-])c1 ZINC000794676337 1034335322 /nfs/dbraw/zinc/33/53/22/1034335322.db2.gz MWAICMPOJHRHIU-KEBDBYFISA-N 0 3 314.351 4.000 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1Br)CC1CC1 ZINC000480767101 1034434861 /nfs/dbraw/zinc/43/48/61/1034434861.db2.gz ULGCABOIPWOUNF-UHFFFAOYSA-N 0 3 307.235 3.943 20 30 DHEDHN CC(C)C[C@H]1OCCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000481713476 1034949039 /nfs/dbraw/zinc/94/90/39/1034949039.db2.gz CYVKOLMPNWLGIS-ZWKOTPCHSA-N 0 3 305.849 3.875 20 30 DHEDHN CC(C)C[C@H]1OCCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000481713473 1034949515 /nfs/dbraw/zinc/94/95/15/1034949515.db2.gz CYVKOLMPNWLGIS-QZTJIDSGSA-N 0 3 305.849 3.875 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000481713474 1034949972 /nfs/dbraw/zinc/94/99/72/1034949972.db2.gz CYVKOLMPNWLGIS-ROUUACIJSA-N 0 3 305.849 3.875 20 30 DHEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000128680812 1035117176 /nfs/dbraw/zinc/11/71/76/1035117176.db2.gz WNBKFQFMCJTCAM-UHFFFAOYSA-N 0 3 318.420 3.637 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000483099627 1035224813 /nfs/dbraw/zinc/22/48/13/1035224813.db2.gz RCDJKFZAJLHDPX-INIZCTEOSA-N 0 3 310.372 3.695 20 30 DHEDHN C#CCN(Cc1cccc(C(=O)OC(C)(C)C)c1)C(C)(C)C ZINC001176287470 1035234858 /nfs/dbraw/zinc/23/48/58/1035234858.db2.gz FCVNRIKGPUHCQJ-UHFFFAOYSA-N 0 3 301.430 3.876 20 30 DHEDHN C=C(C)COc1cc(CN2CCSCC[C@@H]2C)ccc1OC ZINC000483419303 1035266923 /nfs/dbraw/zinc/26/69/23/1035266923.db2.gz HXEKNPMTJHDTGI-HNNXBMFYSA-N 0 3 321.486 3.978 20 30 DHEDHN CCN(CC#Cc1ccccc1)[C@@H](COC)Cc1ccccc1 ZINC000483930386 1035309493 /nfs/dbraw/zinc/30/94/93/1035309493.db2.gz PJLNDPFTWLJGDR-OAQYLSRUSA-N 0 3 307.437 3.618 20 30 DHEDHN C=CCCn1cc(CNC[C@H]2CCCC[C@@H]2C(C)(C)C)nn1 ZINC001177580226 1035381853 /nfs/dbraw/zinc/38/18/53/1035381853.db2.gz BIMWWKDOIRWROR-WBVHZDCISA-N 0 3 304.482 3.796 20 30 DHEDHN C[C@H](CC(C)(C)C#N)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000924797962 1035402802 /nfs/dbraw/zinc/40/28/02/1035402802.db2.gz JKLFGRBYTHYEMB-LLVKDONJSA-N 0 3 308.809 3.529 20 30 DHEDHN C=C(C)C[C@@H](CO)NCc1cccc(Cl)c1Br ZINC001179438585 1035477135 /nfs/dbraw/zinc/47/71/35/1035477135.db2.gz XJNOLWGBHVRUEU-NSHDSACASA-N 0 3 318.642 3.519 20 30 DHEDHN CCCCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905081262 1035478480 /nfs/dbraw/zinc/47/84/80/1035478480.db2.gz QNQUIZWHGTZCTF-XDUBLRSXSA-N 0 3 311.385 3.688 20 30 DHEDHN C[C@@H](Cc1cccc(F)c1)NC(=N)c1ccc2ccccc2n1 ZINC001168465822 1035550826 /nfs/dbraw/zinc/55/08/26/1035550826.db2.gz XHAFBOSHYATOIO-ZDUSSCGKSA-N 0 3 307.372 3.710 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000189924354 1035583269 /nfs/dbraw/zinc/58/32/69/1035583269.db2.gz VYEPURWJFPBDRV-HKUYNNGSSA-N 0 3 300.446 3.542 20 30 DHEDHN C#Cc1ccc(CN2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cc1 ZINC001180143323 1035597159 /nfs/dbraw/zinc/59/71/59/1035597159.db2.gz VWQDYAQKLKHBSN-RTBURBONSA-N 0 3 318.464 3.763 20 30 DHEDHN C#Cc1cccc(NC(=O)CN(C)C[C@H]2CCCC[C@@H]2CC)c1 ZINC001180161606 1035612772 /nfs/dbraw/zinc/61/27/72/1035612772.db2.gz IZQYBDZFKNOIFP-ZWKOTPCHSA-N 0 3 312.457 3.755 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000190511633 1035619054 /nfs/dbraw/zinc/61/90/54/1035619054.db2.gz ZEFKDVNOSRJAJR-DOTOQJQBSA-N 0 3 308.491 3.850 20 30 DHEDHN Cc1ccsc1[C@H](CO)NCc1ccccc1C(C)(C)C#N ZINC000494642333 1035757262 /nfs/dbraw/zinc/75/72/62/1035757262.db2.gz JGILWMKHTIAPGQ-INIZCTEOSA-N 0 3 314.454 3.681 20 30 DHEDHN CC(C)C[C@@H](C)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001193987140 1035790787 /nfs/dbraw/zinc/79/07/87/1035790787.db2.gz AUHWWUMVVAJANG-CRAIPNDOSA-N 0 3 319.880 3.957 20 30 DHEDHN CCC1(CC)[C@H](NCc2ccc(Cl)cc2C#N)C[C@@H]1OC ZINC001194094027 1035845119 /nfs/dbraw/zinc/84/51/19/1035845119.db2.gz YPPWPXPZNZCTLY-CVEARBPZSA-N 0 3 306.837 3.895 20 30 DHEDHN C=C(C)CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153126222 1035855982 /nfs/dbraw/zinc/85/59/82/1035855982.db2.gz OXVRDOXDLAMRPO-GFCCVEGCSA-N 0 3 324.350 3.504 20 30 DHEDHN CCC#C[C@H](C)N[C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000670092003 1035895012 /nfs/dbraw/zinc/89/50/12/1035895012.db2.gz BJQHYBYNMOHLQT-ULFGMLNVSA-N 0 3 324.390 3.631 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)Oc1ccc2ccccc2c1 ZINC001194672759 1035987509 /nfs/dbraw/zinc/98/75/09/1035987509.db2.gz HMHAJRYVSWAHEQ-KRWDZBQOSA-N 0 3 310.397 3.579 20 30 DHEDHN COc1ccc([C@H]2CCN(Cc3cccc(C#N)c3F)C2)cc1 ZINC000540341128 1036046328 /nfs/dbraw/zinc/04/63/28/1036046328.db2.gz UFLIMVSALWDRHM-INIZCTEOSA-N 0 3 310.372 3.695 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000540405477 1036058649 /nfs/dbraw/zinc/05/86/49/1036058649.db2.gz DQKJQXQJQQCFRU-DLBZAZTESA-N 0 3 300.446 3.543 20 30 DHEDHN C[C@H](C[N@H+](C)Cc1ccccc1)/N=C/c1cc(Cl)ccc1[O-] ZINC000775630473 1036116471 /nfs/dbraw/zinc/11/64/71/1036116471.db2.gz LNGXUHJIFMLVJX-XLTHYULKSA-N 0 3 316.832 3.985 20 30 DHEDHN C[C@H](C[N@@H+](C)Cc1ccccc1)/N=C/c1cc(Cl)ccc1[O-] ZINC000775630473 1036116473 /nfs/dbraw/zinc/11/64/73/1036116473.db2.gz LNGXUHJIFMLVJX-XLTHYULKSA-N 0 3 316.832 3.985 20 30 DHEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)c3ccccc3)nc21 ZINC000774100240 1036164293 /nfs/dbraw/zinc/16/42/93/1036164293.db2.gz AWYVGPLMBHOTMA-DZGCQCFKSA-N 0 3 303.365 3.851 20 30 DHEDHN C=CC[C@@H](CO)CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000495060469 1036217258 /nfs/dbraw/zinc/21/72/58/1036217258.db2.gz AJULAIREJCRIKH-CQSZACIVSA-N 0 3 317.379 3.828 20 30 DHEDHN CC[C@H](N[C@@H]1CCCc2nc(C)ncc21)c1ccc(C#N)cc1 ZINC000774199826 1036219798 /nfs/dbraw/zinc/21/97/98/1036219798.db2.gz BFWTVCHCUFXXMY-PKOBYXMFSA-N 0 3 306.413 3.775 20 30 DHEDHN N#Cc1ccc(CNC/C=C\c2ccc(F)cc2F)cc1F ZINC001182369002 1036260733 /nfs/dbraw/zinc/26/07/33/1036260733.db2.gz JQHAWOMTPIGWMY-UPHRSURJSA-N 0 3 302.299 3.779 20 30 DHEDHN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1ccc(C#N)cc1 ZINC000774270906 1036269087 /nfs/dbraw/zinc/26/90/87/1036269087.db2.gz QVBNFTULLRLLPB-GOSISDBHSA-N 0 3 305.381 3.679 20 30 DHEDHN COc1ccc(OCCN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000541318212 1036294812 /nfs/dbraw/zinc/29/48/12/1036294812.db2.gz MBCAMFMPFYVBQA-UHFFFAOYSA-N 0 3 322.408 3.610 20 30 DHEDHN C#CC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001182542770 1036382318 /nfs/dbraw/zinc/38/23/18/1036382318.db2.gz FYMAYIDRALQPAW-ZDUSSCGKSA-N 0 3 322.246 3.698 20 30 DHEDHN C#CC[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC001182542770 1036382335 /nfs/dbraw/zinc/38/23/35/1036382335.db2.gz FYMAYIDRALQPAW-ZDUSSCGKSA-N 0 3 322.246 3.698 20 30 DHEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@@H]1Oc2ccccc2[C@H]1C ZINC000541687407 1036402803 /nfs/dbraw/zinc/40/28/03/1036402803.db2.gz SNFVNYCFFVRPGX-QHRIQVFBSA-N 0 3 310.372 3.740 20 30 DHEDHN COc1cccc([C@]2(C)CCN(Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001196131915 1036443973 /nfs/dbraw/zinc/44/39/73/1036443973.db2.gz KAGJKFJRSYZMDM-HXUWFJFHSA-N 0 3 324.399 3.870 20 30 DHEDHN N#CCC1CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000541920692 1036461174 /nfs/dbraw/zinc/46/11/74/1036461174.db2.gz LKOHQOWYWRRMKI-UHFFFAOYSA-N 0 3 321.424 3.786 20 30 DHEDHN CCCCCCCC[C@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001273739095 1036710123 /nfs/dbraw/zinc/71/01/23/1036710123.db2.gz XHWAJOYUIDNZSI-WNRNVDISSA-N 0 3 306.494 3.536 20 30 DHEDHN C=CCCCCCN1CCN(c2ncnc3sccc32)CC1 ZINC000488202759 1036900984 /nfs/dbraw/zinc/90/09/84/1036900984.db2.gz OJCCWEJMYVUSCX-UHFFFAOYSA-N 0 3 316.474 3.560 20 30 DHEDHN CC(C)[C@@H]1CCCN1Cc1cc(C#N)ccc1Br ZINC000492532560 1036907914 /nfs/dbraw/zinc/90/79/14/1036907914.db2.gz HOAXYWYFDBAPRZ-HNNXBMFYSA-N 0 3 307.235 3.941 20 30 DHEDHN C#CCC1(NCc2ccncc2Br)CCCCC1 ZINC001198084040 1036942493 /nfs/dbraw/zinc/94/24/93/1036942493.db2.gz FJIAGRNQXGDBJD-UHFFFAOYSA-N 0 3 307.235 3.660 20 30 DHEDHN C#CCN(C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@H]1CCCc2ccccc21 ZINC001198104881 1036955239 /nfs/dbraw/zinc/95/52/39/1036955239.db2.gz VEAPCSXHLSBXAL-JYAXBFRTSA-N 0 3 309.453 3.957 20 30 DHEDHN Cc1ccn(-c2ccccc2CNCc2ccc(C#N)c(C)c2)n1 ZINC000444000645 1037000634 /nfs/dbraw/zinc/00/06/34/1037000634.db2.gz WVWZDQLDUSBEGN-UHFFFAOYSA-N 0 3 316.408 3.651 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1Cl)[C@H]1CCC[C@H]1C ZINC000487983972 1037088054 /nfs/dbraw/zinc/08/80/54/1037088054.db2.gz XWOPQPLRXOABJZ-DYVFJYSZSA-N 0 3 306.837 3.849 20 30 DHEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000912237154 1037317811 /nfs/dbraw/zinc/31/78/11/1037317811.db2.gz VXAATHLZXPTJFV-ZFWWWQNUSA-N 0 3 300.402 3.636 20 30 DHEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000912249223 1037330894 /nfs/dbraw/zinc/33/08/94/1037330894.db2.gz JIBMNNOURFCRAT-GFCCVEGCSA-N 0 3 300.324 3.636 20 30 DHEDHN C=CCN(CCC(=O)Nc1cccc(F)c1)Cc1cccs1 ZINC000054427180 1037346079 /nfs/dbraw/zinc/34/60/79/1037346079.db2.gz WSJXBEGCTVHDPF-UHFFFAOYSA-N 0 3 318.417 3.904 20 30 DHEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000912396276 1037373722 /nfs/dbraw/zinc/37/37/22/1037373722.db2.gz WRIFNPCTSRZAGR-JKSUJKDBSA-N 0 3 306.837 3.687 20 30 DHEDHN CC[C@H](C)N[C@H](CNc1cc(F)ccc1C#N)c1ccco1 ZINC001186404808 1037390292 /nfs/dbraw/zinc/39/02/92/1037390292.db2.gz HZJDERIFVZGVJI-BLLLJJGKSA-N 0 3 301.365 3.832 20 30 DHEDHN CCCN(CCN1CCCCC1)c1ncc(Cl)c(C)c1C#N ZINC001186414588 1037402601 /nfs/dbraw/zinc/40/26/01/1037402601.db2.gz WKZNBNSYPQYBED-UHFFFAOYSA-N 0 3 320.868 3.617 20 30 DHEDHN CN(CC(=O)Nc1ccccc1SCC#N)C1(C)CCCC1 ZINC000489852659 1037544939 /nfs/dbraw/zinc/54/49/39/1037544939.db2.gz REIFBUKKLZSTEL-UHFFFAOYSA-N 0 3 317.458 3.505 20 30 DHEDHN Cc1nsc(NC[C@@H]2CCN2C2CCCCCC2)c1C#N ZINC001187360764 1037619710 /nfs/dbraw/zinc/61/97/10/1037619710.db2.gz ATOBGDVKLWUNBW-AWEZNQCLSA-N 0 3 304.463 3.532 20 30 DHEDHN C#CCOc1ccccc1C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776177512 1037681656 /nfs/dbraw/zinc/68/16/56/1037681656.db2.gz QRSNKRWOCJPSLO-UHFFFAOYSA-N 0 3 315.800 3.656 20 30 DHEDHN N#Cc1c(F)cccc1N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001187926691 1037756639 /nfs/dbraw/zinc/75/66/39/1037756639.db2.gz OZTPJHKJYBLQJE-MRXNPFEDSA-N 0 3 315.779 3.502 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2ccc(CC)c(Cl)c2)CC1 ZINC000490780907 1037808804 /nfs/dbraw/zinc/80/88/04/1037808804.db2.gz GGLTVVDXJBQJQV-UHFFFAOYSA-N 0 3 321.852 3.674 20 30 DHEDHN CCCN(Cc1ccccc1F)C[C@H](O)c1ccc(C#N)cc1 ZINC000763409909 1037827152 /nfs/dbraw/zinc/82/71/52/1037827152.db2.gz VGSRICMUHGODBI-IBGZPJMESA-N 0 3 312.388 3.643 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(OC3CCCCC3)c2)C1 ZINC000185805936 1037844336 /nfs/dbraw/zinc/84/43/36/1037844336.db2.gz FNXSMSNSTZKMTB-WBVHZDCISA-N 0 3 313.445 3.965 20 30 DHEDHN C=CCOCc1nn(C)c2c1CN(CCCCCCCC)CC2 ZINC001201815087 1037902449 /nfs/dbraw/zinc/90/24/49/1037902449.db2.gz WCKDUYZTKHXSQL-UHFFFAOYSA-N 0 3 319.493 3.841 20 30 DHEDHN CCCCCCCCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC001201875063 1037924212 /nfs/dbraw/zinc/92/42/12/1037924212.db2.gz OLGJPVJYEYOFET-LJQANCHMSA-N 0 3 310.526 3.924 20 30 DHEDHN C#CCOc1ccccc1CNC[C@@H]1CCC2(CCCCC2)O1 ZINC001202011182 1037962788 /nfs/dbraw/zinc/96/27/88/1037962788.db2.gz VPSHBYJEUWWRKG-SFHVURJKSA-N 0 3 313.441 3.670 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1cccc2ccccc21 ZINC001188954826 1038023085 /nfs/dbraw/zinc/02/30/85/1038023085.db2.gz HDKZOGUSPTYPEB-INIZCTEOSA-N 0 3 309.413 3.612 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccoc1C ZINC000916904148 1038027689 /nfs/dbraw/zinc/02/76/89/1038027689.db2.gz XJFJOLPFDPKNIP-MRXNPFEDSA-N 0 3 324.380 3.674 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1occc1C ZINC000916909765 1038046906 /nfs/dbraw/zinc/04/69/06/1038046906.db2.gz UUBMSLQIGCYIFO-OAHLLOKOSA-N 0 3 324.380 3.674 20 30 DHEDHN COc1ccc(C#N)c(C(=O)NCCP(C(C)C)C(C)C)c1 ZINC001189095349 1038073815 /nfs/dbraw/zinc/07/38/15/1038073815.db2.gz LMPBBPNCRVFKKX-UHFFFAOYSA-N 0 3 320.373 3.595 20 30 DHEDHN Cc1ccc(CC(=O)C(C#N)c2nc3cc(F)ccc3s2)o1 ZINC000775241390 1038138323 /nfs/dbraw/zinc/13/83/23/1038138323.db2.gz YJJUWCHTSCCUQW-GFCCVEGCSA-N 0 3 314.341 3.756 20 30 DHEDHN C=CCCC(=O)N(CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000588041655 1038214366 /nfs/dbraw/zinc/21/43/66/1038214366.db2.gz BAQBIWQWDOGNQF-LJQANCHMSA-N 0 3 314.473 3.856 20 30 DHEDHN CCCCCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001191082050 1038434313 /nfs/dbraw/zinc/43/43/13/1038434313.db2.gz QRCUNENOLOKHGI-GOSISDBHSA-N 0 3 317.477 3.531 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000589272787 1038456370 /nfs/dbraw/zinc/45/63/70/1038456370.db2.gz WREADEGWAYTRJJ-MSOLQXFVSA-N 0 3 312.457 3.877 20 30 DHEDHN N#Cc1c(F)cccc1CN[C@H](CN1CCCC1)c1ccccc1 ZINC000589990504 1038566472 /nfs/dbraw/zinc/56/64/72/1038566472.db2.gz QQHXBRNEWOCLJC-HXUWFJFHSA-N 0 3 323.415 3.624 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nc(-c4ccccc4)no3)CC2)C1 ZINC000590158573 1038593927 /nfs/dbraw/zinc/59/39/27/1038593927.db2.gz SUOVWPZBUDTRLA-PBHICJAKSA-N 0 3 322.412 3.608 20 30 DHEDHN C#CCCCCCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001192823010 1038704450 /nfs/dbraw/zinc/70/44/50/1038704450.db2.gz BWNLDRFIBCEPMH-SJORKVTESA-N 0 3 322.493 3.900 20 30 DHEDHN C#CCCCCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001192823007 1038704780 /nfs/dbraw/zinc/70/47/80/1038704780.db2.gz BWNLDRFIBCEPMH-DLBZAZTESA-N 0 3 322.493 3.900 20 30 DHEDHN COc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1OC1CC1 ZINC000598955451 1038962283 /nfs/dbraw/zinc/96/22/83/1038962283.db2.gz ILFCVRZFDPTESU-CQSZACIVSA-N 0 3 322.408 3.959 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598978284 1038974438 /nfs/dbraw/zinc/97/44/38/1038974438.db2.gz MIVWTVLSBDGNKZ-KGLIPLIRSA-N 0 3 323.458 3.527 20 30 DHEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(Cl)c1Cl ZINC000599355584 1039129864 /nfs/dbraw/zinc/12/98/64/1039129864.db2.gz BNPWVGSVYBTNAG-WDEREUQCSA-N 0 3 313.228 3.699 20 30 DHEDHN Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1C#N ZINC000599426805 1039149509 /nfs/dbraw/zinc/14/95/09/1039149509.db2.gz QYDJQBQCTSNUEO-FQEVSTJZSA-N 0 3 320.436 3.860 20 30 DHEDHN CC(C)(C)c1ncc2c(n1)CCN(CCCCC(C)(C)C#N)C2 ZINC000599526199 1039195324 /nfs/dbraw/zinc/19/53/24/1039195324.db2.gz HFNNHURPOCHBGG-UHFFFAOYSA-N 0 3 314.477 3.852 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC000058474997 1039201134 /nfs/dbraw/zinc/20/11/34/1039201134.db2.gz LPAUMRCAWTZUEA-UHFFFAOYSA-N 0 3 314.404 3.746 20 30 DHEDHN Cc1ccccc1-c1ccccc1CN1CC[C@](O)(CC#N)C1 ZINC000592525569 1039225358 /nfs/dbraw/zinc/22/53/58/1039225358.db2.gz RJHNOYMVCFUDLT-HXUWFJFHSA-N 0 3 306.409 3.513 20 30 DHEDHN N#CCc1ccc(CN2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000593059753 1039349313 /nfs/dbraw/zinc/34/93/13/1039349313.db2.gz WGBNGAZTMXRTEU-UHFFFAOYSA-N 0 3 312.310 3.619 20 30 DHEDHN CC(C)[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594428276 1039782925 /nfs/dbraw/zinc/78/29/25/1039782925.db2.gz MBBXGNSPXQXKHZ-JKSUJKDBSA-N 0 3 321.852 3.565 20 30 DHEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000594430283 1039783560 /nfs/dbraw/zinc/78/35/60/1039783560.db2.gz YPKABGRKNFNGHW-HNNXBMFYSA-N 0 3 313.426 3.765 20 30 DHEDHN CC(C)(C)[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)c2ccccc21 ZINC000594455677 1039787490 /nfs/dbraw/zinc/78/74/90/1039787490.db2.gz BDMSJCSBFWNYDS-HZPDHXFCSA-N 0 3 313.445 3.574 20 30 DHEDHN CC(C)(C)[C@H]1CN(C(=O)[C@@H](N)CCCCC#N)c2ccccc21 ZINC000594455675 1039787651 /nfs/dbraw/zinc/78/76/51/1039787651.db2.gz BDMSJCSBFWNYDS-HOTGVXAUSA-N 0 3 313.445 3.574 20 30 DHEDHN C[C@@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(C#N)c1 ZINC000594930351 1039931504 /nfs/dbraw/zinc/93/15/04/1039931504.db2.gz VIEKTOFRKCFDOG-FOIQADDNSA-N 0 3 322.408 3.577 20 30 DHEDHN CC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1c(C)nn(C)c1C ZINC000594929923 1039931728 /nfs/dbraw/zinc/93/17/28/1039931728.db2.gz PWJLXFIJVKVCQR-GOSISDBHSA-N 0 3 322.456 3.833 20 30 DHEDHN N#Cc1cccc(OCCN2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000059374632 1039957586 /nfs/dbraw/zinc/95/75/86/1039957586.db2.gz UPUIZXMNTFSUOG-LJQANCHMSA-N 0 3 310.372 3.913 20 30 DHEDHN COCc1csc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000594952469 1039963042 /nfs/dbraw/zinc/96/30/42/1039963042.db2.gz ZQMVJUYUMCWUGX-GOSISDBHSA-N 0 3 312.438 3.933 20 30 DHEDHN C=CCCN[C@@H](C)c1ccccc1I ZINC000595059420 1040024777 /nfs/dbraw/zinc/02/47/77/1040024777.db2.gz ODSZEGANLIJGLO-JTQLQIEISA-N 0 3 301.171 3.518 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NC[C@@H](OC2CCCC2)C(F)(F)F)C1 ZINC000595071177 1040033454 /nfs/dbraw/zinc/03/34/54/1040033454.db2.gz AIPKSYVHWZQZHE-MBNYWOFBSA-N 0 3 304.356 3.548 20 30 DHEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ncc(C(=O)OC)s1 ZINC000595050626 1040052166 /nfs/dbraw/zinc/05/21/66/1040052166.db2.gz SSXXENDULZOPRR-JHJVBQTASA-N 0 3 308.447 3.715 20 30 DHEDHN CC(C)[C@H](O)[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000595097554 1040081215 /nfs/dbraw/zinc/08/12/15/1040081215.db2.gz XDWWBRGIZBPMMR-HBMCJLEFSA-N 0 3 320.436 3.893 20 30 DHEDHN N#Cc1ccc(CN(CCOCc2ccccc2)C2CC2)cc1 ZINC000595297556 1040094028 /nfs/dbraw/zinc/09/40/28/1040094028.db2.gz WDWICDMQNVGSPO-UHFFFAOYSA-N 0 3 306.409 3.739 20 30 DHEDHN COc1cccc(SCCN(C)Cc2cccc(C#N)c2)c1 ZINC000595288278 1040100819 /nfs/dbraw/zinc/10/08/19/1040100819.db2.gz MYKQEPODENUKFJ-UHFFFAOYSA-N 0 3 312.438 3.791 20 30 DHEDHN CC(C)COC[C@H](NCCc1ccc(C#N)cc1)c1ccco1 ZINC000595427186 1040136318 /nfs/dbraw/zinc/13/63/18/1040136318.db2.gz SHFKIVPDWDETQJ-SFHVURJKSA-N 0 3 312.413 3.697 20 30 DHEDHN N#CC[C@H]1CCCN(CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000595616637 1040191919 /nfs/dbraw/zinc/19/19/19/1040191919.db2.gz VGSGFBPXEIJIEQ-CYBMUJFWSA-N 0 3 312.335 3.710 20 30 DHEDHN N#CC[C@H]1CCCN(Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000595616749 1040193103 /nfs/dbraw/zinc/19/31/03/1040193103.db2.gz XFHSMVIDEZNTTB-QGZVFWFLSA-N 0 3 321.424 3.786 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000595844137 1040262435 /nfs/dbraw/zinc/26/24/35/1040262435.db2.gz ALYBAQVHMUIWDO-QRQLOZEOSA-N 0 3 323.440 3.505 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000595845538 1040263177 /nfs/dbraw/zinc/26/31/77/1040263177.db2.gz PVQNUWRSNUORQO-GASCZTMLSA-N 0 3 302.374 3.677 20 30 DHEDHN C#CCCCN[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000174273180 1040611030 /nfs/dbraw/zinc/61/10/30/1040611030.db2.gz DRLNAYYGYXGGBL-LJQANCHMSA-N 0 3 306.409 3.678 20 30 DHEDHN C#CCCCN[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000174273191 1040611911 /nfs/dbraw/zinc/61/19/11/1040611911.db2.gz DRLNAYYGYXGGBL-IBGZPJMESA-N 0 3 306.409 3.678 20 30 DHEDHN N#CC1(c2ccc(CN3CCC[C@@H]3c3ccccn3)cc2)CC1 ZINC000596981214 1040614486 /nfs/dbraw/zinc/61/44/86/1040614486.db2.gz KNQMMUHATHQROZ-LJQANCHMSA-N 0 3 303.409 3.974 20 30 DHEDHN Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597026492 1040631365 /nfs/dbraw/zinc/63/13/65/1040631365.db2.gz IXMMKCBCKKNGSJ-LJQANCHMSA-N 0 3 320.440 3.621 20 30 DHEDHN C#CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])c1ccccc1 ZINC000761216796 1040683021 /nfs/dbraw/zinc/68/30/21/1040683021.db2.gz XSPXTTBXOZBOAE-INIZCTEOSA-N 0 3 315.800 3.908 20 30 DHEDHN N#Cc1ccc2ncc(CN3CC[C@@H](C4CCCCC4)C3)n2c1 ZINC000597203101 1040692871 /nfs/dbraw/zinc/69/28/71/1040692871.db2.gz MUJQOTPFXXDQPS-QGZVFWFLSA-N 0 3 308.429 3.608 20 30 DHEDHN C=CCC1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC000456482816 1040837318 /nfs/dbraw/zinc/83/73/18/1040837318.db2.gz GEDBOUIXJBANIL-UHFFFAOYSA-N 0 3 300.446 3.615 20 30 DHEDHN CN(Cc1cccc(C#N)n1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000602452358 1041029120 /nfs/dbraw/zinc/02/91/20/1041029120.db2.gz HWAHZFBARBIBDS-XLIONFOSSA-N 0 3 321.424 3.553 20 30 DHEDHN N#Cc1cccc(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000602444339 1041036175 /nfs/dbraw/zinc/03/61/75/1041036175.db2.gz GZOOPFQARWEOIN-INIZCTEOSA-N 0 3 316.408 3.814 20 30 DHEDHN N#CC1CCC(Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000602492130 1041059912 /nfs/dbraw/zinc/05/99/12/1041059912.db2.gz RTZXNQKKSKVVIM-UHFFFAOYSA-N 0 3 315.486 3.730 20 30 DHEDHN Cc1c2ccccc2oc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602558031 1041097947 /nfs/dbraw/zinc/09/79/47/1041097947.db2.gz PPACQRWQACDDPA-CQSZACIVSA-N 0 3 312.413 3.930 20 30 DHEDHN Cc1ccc2oc(CN[C@@H](C)CC3(C#N)CCOCC3)cc2c1 ZINC000602711558 1041173352 /nfs/dbraw/zinc/17/33/52/1041173352.db2.gz QKSAWHGOWHKLAG-HNNXBMFYSA-N 0 3 312.413 3.930 20 30 DHEDHN C[C@H](CCC#N)CN[C@H](CO)c1cccc(Cl)c1Cl ZINC000602719546 1041175848 /nfs/dbraw/zinc/17/58/48/1041175848.db2.gz YADCFKXZBBOUAA-ZWNOBZJWSA-N 0 3 301.217 3.556 20 30 DHEDHN C[C@H](CCC#N)CNCc1c(Cl)cccc1OC(F)F ZINC000602750773 1041197390 /nfs/dbraw/zinc/19/73/90/1041197390.db2.gz CCDHGBQCEQZWCH-SNVBAGLBSA-N 0 3 302.752 3.971 20 30 DHEDHN CCCOc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1OC ZINC000602803333 1041227455 /nfs/dbraw/zinc/22/74/55/1041227455.db2.gz WDLKRZFJMIFLHA-CQSZACIVSA-N 0 3 302.418 3.828 20 30 DHEDHN CCC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)cc1F ZINC000598600865 1041346327 /nfs/dbraw/zinc/34/63/27/1041346327.db2.gz HERRILXQQKHORX-BBRMVZONSA-N 0 3 310.388 3.696 20 30 DHEDHN CC(C)(C#N)C[C@H](O)CNC(C)(C)c1cccc(Cl)c1F ZINC000598608812 1041368929 /nfs/dbraw/zinc/36/89/29/1041368929.db2.gz PYRMCRUWAVOUGX-NSHDSACASA-N 0 3 312.816 3.605 20 30 DHEDHN C[C@H](c1ccco1)N(CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000088549224 185257237 /nfs/dbraw/zinc/25/72/37/185257237.db2.gz PDTYTQIGXJPXNI-CQSZACIVSA-N 0 3 323.396 3.705 20 30 DHEDHN C=CCC[C@@H](NCCOCC(F)(F)C(F)F)c1ccco1 ZINC000287447808 335046202 /nfs/dbraw/zinc/04/62/02/335046202.db2.gz LGQLESMEFCNTCJ-LLVKDONJSA-N 0 3 309.303 3.794 20 30 DHEDHN C#Cc1ccc(CN2CCC(c3noc(C(C)C)n3)CC2)cc1 ZINC000289298194 335061338 /nfs/dbraw/zinc/06/13/38/335061338.db2.gz HXXGKBHXKCPISB-UHFFFAOYSA-N 0 3 309.413 3.554 20 30 DHEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)CCO2 ZINC000272257947 130013988 /nfs/dbraw/zinc/01/39/88/130013988.db2.gz LJXBAAAMPWKMNQ-AWEZNQCLSA-N 0 3 304.393 3.833 20 30 DHEDHN CC[C@@H](NCc1ccnc(N2CCCC2)c1)c1ccc(C#N)cc1 ZINC000278170988 130669438 /nfs/dbraw/zinc/66/94/38/130669438.db2.gz CLPKAKRWILIUIG-LJQANCHMSA-N 0 3 320.440 3.794 20 30 DHEDHN COc1ccc([C@H](CN(C)C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000284454518 131082748 /nfs/dbraw/zinc/08/27/48/131082748.db2.gz UPSOBKNLBVXQKX-QRWLVFNGSA-N 0 3 323.440 3.520 20 30 DHEDHN COCCCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000285175680 131145046 /nfs/dbraw/zinc/14/50/46/131145046.db2.gz RBJGBRRMTOLKGI-INIZCTEOSA-N 0 3 324.424 3.824 20 30 DHEDHN Cc1cc(C)cc([C@H](C)NCCC(=O)Nc2ccccc2C#N)c1 ZINC000298927383 132083388 /nfs/dbraw/zinc/08/33/88/132083388.db2.gz NTZHAPCBJJHUMM-INIZCTEOSA-N 0 3 321.424 3.855 20 30 DHEDHN CCc1ccc([C@@H](CNc2ccc(C#N)c(C)n2)N(C)C)cc1 ZINC000487896496 429171329 /nfs/dbraw/zinc/17/13/29/429171329.db2.gz NWBSAWRDDQAOQK-GOSISDBHSA-N 0 3 308.429 3.539 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000292150859 335088326 /nfs/dbraw/zinc/08/83/26/335088326.db2.gz FZSZFWBBCSZSNF-AWEZNQCLSA-N 0 3 306.475 3.604 20 30 DHEDHN C[C@H](NCCNc1ccc2ccccc2n1)c1ccc(C#N)cc1 ZINC000611438706 435356704 /nfs/dbraw/zinc/35/67/04/435356704.db2.gz PJFXNCPRGJZKJA-HNNXBMFYSA-N 0 3 316.408 3.869 20 30 DHEDHN C=CCOc1ccc(CN2CCC(C)(OCC)CC2)cc1OC ZINC000292699524 335092923 /nfs/dbraw/zinc/09/29/23/335092923.db2.gz CEKHGMYDWAONMT-UHFFFAOYSA-N 0 3 319.445 3.651 20 30 DHEDHN C=CC[C@H](C)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000116926911 331468217 /nfs/dbraw/zinc/46/82/17/331468217.db2.gz FCBURIACZOHJRZ-NSHDSACASA-N 0 3 302.399 3.593 20 30 DHEDHN C=CCCCCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000584061134 331657917 /nfs/dbraw/zinc/65/79/17/331657917.db2.gz BHCREDXMXKSNJK-UHFFFAOYSA-N 0 3 314.429 3.971 20 30 DHEDHN Cc1ccc([C@H](NCc2cnc3ccc(C#N)cn23)C2CC2)cc1 ZINC000556596701 331718806 /nfs/dbraw/zinc/71/88/06/331718806.db2.gz QNBGRPFNCCXFDN-FQEVSTJZSA-N 0 3 316.408 3.755 20 30 DHEDHN C[C@H](NCc1ccc(Br)cc1C#N)C1CCCC1 ZINC000311204700 331829197 /nfs/dbraw/zinc/82/91/97/331829197.db2.gz MCWWCTRCDGANJU-NSHDSACASA-N 0 3 307.235 3.989 20 30 DHEDHN N#Cc1ccccc1CSCCNCc1cccc(F)c1F ZINC000518271182 332004128 /nfs/dbraw/zinc/00/41/28/332004128.db2.gz JPVRZIKWNXHQHB-UHFFFAOYSA-N 0 3 318.392 3.859 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000410127115 332090312 /nfs/dbraw/zinc/09/03/12/332090312.db2.gz IXCBSIXQVNJDBF-GOSISDBHSA-N 0 3 300.446 3.757 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000569491354 332102082 /nfs/dbraw/zinc/10/20/82/332102082.db2.gz IAYIZQRBBHNFIP-OAHLLOKOSA-N 0 3 322.880 3.704 20 30 DHEDHN CC(C)(CCC#N)CN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000092968918 332132816 /nfs/dbraw/zinc/13/28/16/332132816.db2.gz YMXQNOPCKQYFMW-MRXNPFEDSA-N 0 3 314.429 3.925 20 30 DHEDHN C=CC[C@H](C(=O)NCCN1CCCC[C@H]1CC)c1ccccc1 ZINC000426840737 332156866 /nfs/dbraw/zinc/15/68/66/332156866.db2.gz RDCJOQMIGJUBRT-MOPGFXCFSA-N 0 3 314.473 3.727 20 30 DHEDHN C[C@H](O)CN(CC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000427013639 332164809 /nfs/dbraw/zinc/16/48/09/332164809.db2.gz BZWLDVIOANSKKI-HNNXBMFYSA-N 0 3 305.849 3.707 20 30 DHEDHN C=CCC[C@@H](C(=O)NC[C@@H]1CCCCN1CC)c1ccccc1 ZINC000427013942 332164830 /nfs/dbraw/zinc/16/48/30/332164830.db2.gz YGCUSELKXAMHHH-RBUKOAKNSA-N 0 3 314.473 3.727 20 30 DHEDHN COc1cc(C#N)ccc1CN1CCC(c2ccc(C)nc2)CC1 ZINC000363673419 332216373 /nfs/dbraw/zinc/21/63/73/332216373.db2.gz PNKFUEJRVVFBOQ-UHFFFAOYSA-N 0 3 321.424 3.650 20 30 DHEDHN C=C(C)CNCc1cn(-c2ccc(Br)cc2)nc1C ZINC000119639256 332259849 /nfs/dbraw/zinc/25/98/49/332259849.db2.gz UKPVLRHXVQZXLQ-UHFFFAOYSA-N 0 3 320.234 3.609 20 30 DHEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000292908151 335097884 /nfs/dbraw/zinc/09/78/84/335097884.db2.gz VLDZYWGNKSTGNW-FUHWJXTLSA-N 0 3 314.473 3.758 20 30 DHEDHN C=CCC[C@H](NC[C@H](O)COc1cccc(C)c1)c1ccco1 ZINC000560531492 332353507 /nfs/dbraw/zinc/35/35/07/332353507.db2.gz ZJEVGEVMOKKIJF-WMZOPIPTSA-N 0 3 315.413 3.625 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000237690923 332385064 /nfs/dbraw/zinc/38/50/64/332385064.db2.gz LRKDMCGFJNDCCH-PBHICJAKSA-N 0 3 314.454 3.599 20 30 DHEDHN N#CCCCOc1cccc(CNCCOc2ccccc2)c1 ZINC000237819391 332391526 /nfs/dbraw/zinc/39/15/26/332391526.db2.gz GVAVNKDDBIRDEF-UHFFFAOYSA-N 0 3 310.397 3.538 20 30 DHEDHN C=CCC(C)(C)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000293301883 335103781 /nfs/dbraw/zinc/10/37/81/335103781.db2.gz WNUDJZNCUIWFDV-UHFFFAOYSA-N 0 3 302.462 3.699 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC000245505418 332492604 /nfs/dbraw/zinc/49/26/04/332492604.db2.gz FYTHWJFGIFHWAJ-QAQDUYKDSA-N 0 3 306.494 3.606 20 30 DHEDHN C[C@@H](NCc1cccc(OCCCC#N)c1)c1cccc(O)c1 ZINC000105461354 332956664 /nfs/dbraw/zinc/95/66/64/332956664.db2.gz PEOKNELRVAVXTQ-OAHLLOKOSA-N 0 3 310.397 3.926 20 30 DHEDHN C=CCCOCCN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000181025710 333029465 /nfs/dbraw/zinc/02/94/65/333029465.db2.gz JQZHIVROQNXEMS-HXUWFJFHSA-N 0 3 311.425 3.967 20 30 DHEDHN CCCCCCCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000180208439 333159655 /nfs/dbraw/zinc/15/96/55/333159655.db2.gz TWKKIOUTBPOYSG-UHFFFAOYSA-N 0 3 317.477 3.775 20 30 DHEDHN CO[C@@H](CN[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000181551602 333170155 /nfs/dbraw/zinc/17/01/55/333170155.db2.gz MSYAJGCWKLYWCE-KXBFYZLASA-N 0 3 310.397 3.627 20 30 DHEDHN C[C@H](CC(=O)OC(C)(C)C)N[C@H](CCC#N)c1ccccc1 ZINC000183915739 333189575 /nfs/dbraw/zinc/18/95/75/333189575.db2.gz XPSDVVMKBNOSTA-GDBMZVCRSA-N 0 3 302.418 3.741 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000185780235 333214178 /nfs/dbraw/zinc/21/41/78/333214178.db2.gz CLZRAZBHSRXAOO-JSGCOSHPSA-N 0 3 312.335 3.800 20 30 DHEDHN CCOc1c(Cl)cc(CN[C@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000192701567 333291808 /nfs/dbraw/zinc/29/18/08/333291808.db2.gz MSEQEKKSJKMBHN-OCCSQVGLSA-N 0 3 322.836 3.919 20 30 DHEDHN N#Cc1ccc(C2=CCN(CCOc3cccc(F)c3)CC2)cc1 ZINC000502506007 333301303 /nfs/dbraw/zinc/30/13/03/333301303.db2.gz PGKVSQXYSDFURJ-UHFFFAOYSA-N 0 3 322.383 3.865 20 30 DHEDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000120674654 333305337 /nfs/dbraw/zinc/30/53/37/333305337.db2.gz CBTCFQQWXRTDDG-UONOGXRCSA-N 0 3 307.397 3.928 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000188471530 333367786 /nfs/dbraw/zinc/36/77/86/333367786.db2.gz MJCPWTXLHDZCGS-FXAWDEMLSA-N 0 3 314.473 3.712 20 30 DHEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(Br)cc1F ZINC000320214101 333454127 /nfs/dbraw/zinc/45/41/27/333454127.db2.gz FWASXNGRUCCXDA-JQWIXIFHSA-N 0 3 316.214 3.566 20 30 DHEDHN C=CCN(C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529551635 335143554 /nfs/dbraw/zinc/14/35/54/335143554.db2.gz OYVNSDPSBIAGRX-UHFFFAOYSA-N 0 3 312.236 3.519 20 30 DHEDHN C=CCOCCN[C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000339070177 333508103 /nfs/dbraw/zinc/50/81/03/333508103.db2.gz XKUCDUBQGSMNNE-CYBMUJFWSA-N 0 3 302.443 3.972 20 30 DHEDHN N#CCc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000237834446 333523727 /nfs/dbraw/zinc/52/37/27/333523727.db2.gz JAJNNAZUKGLUJN-UHFFFAOYSA-N 0 3 305.425 3.829 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000185793157 335151338 /nfs/dbraw/zinc/15/13/38/335151338.db2.gz QUBDETYXZLAKHH-YQVWRLOYSA-N 0 3 314.473 3.758 20 30 DHEDHN C=CCN1CCC(NC(=O)CCCCCc2cccs2)CC1 ZINC000067305197 335152035 /nfs/dbraw/zinc/15/20/35/335152035.db2.gz GYBAOAQCARIIGJ-UHFFFAOYSA-N 0 3 320.502 3.618 20 30 DHEDHN C=CCC[C@H](CO)NCc1cc2cc(Br)ccc2o1 ZINC000571464540 333791908 /nfs/dbraw/zinc/79/19/08/333791908.db2.gz XHLBIFGBSPEJSM-CYBMUJFWSA-N 0 3 324.218 3.612 20 30 DHEDHN C=CCOc1ccccc1CNC[C@@H](CO)C1CCCCC1 ZINC000571505063 333807048 /nfs/dbraw/zinc/80/70/48/333807048.db2.gz KZLVYVWKPPCMGS-SFHVURJKSA-N 0 3 303.446 3.530 20 30 DHEDHN COc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1OCCCC#N ZINC000414512031 334003021 /nfs/dbraw/zinc/00/30/21/334003021.db2.gz MDBAUQUKGHSYAJ-HZPDHXFCSA-N 0 3 320.408 3.748 20 30 DHEDHN COC1([C@@H](C)NCc2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000414530430 334009400 /nfs/dbraw/zinc/00/94/00/334009400.db2.gz XJSWVDNMYLQFJG-LLVKDONJSA-N 0 3 312.335 3.624 20 30 DHEDHN CC1=CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000271203378 334019926 /nfs/dbraw/zinc/01/99/26/334019926.db2.gz VFMIASDBSWMRLE-UHFFFAOYSA-N 0 3 306.413 3.616 20 30 DHEDHN COc1cccc2c1CC[C@H]2NC1(c2cccc(C#N)c2)CC1 ZINC000272167438 334031265 /nfs/dbraw/zinc/03/12/65/334031265.db2.gz CSGIAXWMDRIKGF-GOSISDBHSA-N 0 3 304.393 3.833 20 30 DHEDHN C[C@@H](NCCCC#N)c1ccc(OC(F)F)cc1OC(F)F ZINC000273184861 334044206 /nfs/dbraw/zinc/04/42/06/334044206.db2.gz FSOLQDNEZGNVQM-SECBINFHSA-N 0 3 320.286 3.844 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2cc(Br)ccc2F)C1 ZINC000274196232 334056671 /nfs/dbraw/zinc/05/66/71/334056671.db2.gz JNSBWGROBRWSLO-GWCFXTLKSA-N 0 3 311.198 3.760 20 30 DHEDHN CC(C)(C#N)CCCCN1CCCN(c2ccccc2C#N)CC1 ZINC000278127313 334092946 /nfs/dbraw/zinc/09/29/46/334092946.db2.gz MIDJUEAZJUURDD-UHFFFAOYSA-N 0 3 324.472 3.790 20 30 DHEDHN CCCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000278343499 334095335 /nfs/dbraw/zinc/09/53/35/334095335.db2.gz XZPOALGQMUKAPR-ZBFHGGJFSA-N 0 3 302.418 3.656 20 30 DHEDHN N#Cc1cccc(OCCCN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278889573 334102917 /nfs/dbraw/zinc/10/29/17/334102917.db2.gz UMIJABGXXGWXFK-CQSZACIVSA-N 0 3 312.335 3.601 20 30 DHEDHN CCC1CCC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279252304 334107058 /nfs/dbraw/zinc/10/70/58/334107058.db2.gz HFDWSKSYCOYKQR-PPSBMQLTSA-N 0 3 323.440 3.573 20 30 DHEDHN C[C@@H](CCC(C)(C)C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280380756 334116964 /nfs/dbraw/zinc/11/69/64/334116964.db2.gz JVPSYCADKIWRPT-YOEHRIQHSA-N 0 3 311.429 3.572 20 30 DHEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCCC2CCCC2)cc1 ZINC000280513828 334117815 /nfs/dbraw/zinc/11/78/15/334117815.db2.gz RMEGQQMBRRBKFH-LJQANCHMSA-N 0 3 323.440 3.717 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000343609912 335176908 /nfs/dbraw/zinc/17/69/08/335176908.db2.gz XQNJPIIVJMIXDS-LJQANCHMSA-N 0 3 312.457 3.536 20 30 DHEDHN CCCC[C@H](CCC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280632796 334118862 /nfs/dbraw/zinc/11/88/62/334118862.db2.gz YYLKPJQORHQISP-MSOLQXFVSA-N 0 3 311.429 3.716 20 30 DHEDHN CCCCCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280872340 334120903 /nfs/dbraw/zinc/12/09/03/334120903.db2.gz RHLZPUSYVGWFJX-YJBOKZPZSA-N 0 3 311.429 3.716 20 30 DHEDHN CC(C)(C)C1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280956217 334121718 /nfs/dbraw/zinc/12/17/18/334121718.db2.gz QSIVKIRQYGXYAI-QGZVFWFLSA-N 0 3 323.440 3.525 20 30 DHEDHN CC1(C)CN(CCCC2(C#N)CCOCC2)Cc2ccccc21 ZINC000281142240 334123271 /nfs/dbraw/zinc/12/32/71/334123271.db2.gz AUGMLBCHOHZAPB-UHFFFAOYSA-N 0 3 312.457 3.880 20 30 DHEDHN COC[C@@H](NCC1CCC(C#N)CC1)c1ccc(F)c(F)c1 ZINC000282110995 334131358 /nfs/dbraw/zinc/13/13/58/334131358.db2.gz AEUUIHMDNLPOCM-QWQCLYJRSA-N 0 3 308.372 3.572 20 30 DHEDHN CN(C)C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000283453217 334140322 /nfs/dbraw/zinc/14/03/22/334140322.db2.gz URLBSUHJZAPXEC-COXVUDFISA-N 0 3 305.853 3.615 20 30 DHEDHN CN(C)C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000283453221 334140414 /nfs/dbraw/zinc/14/04/14/334140414.db2.gz URLBSUHJZAPXEC-XKQJLSEDSA-N 0 3 305.853 3.615 20 30 DHEDHN CC(C)(C#N)CCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285415748 334147677 /nfs/dbraw/zinc/14/76/77/334147677.db2.gz DJANGJMUQJCXSG-CQSZACIVSA-N 0 3 315.244 3.946 20 30 DHEDHN CC(C)(C#N)CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000289041674 334163072 /nfs/dbraw/zinc/16/30/72/334163072.db2.gz PRRAEDMLTKVLDC-RBUKOAKNSA-N 0 3 308.425 3.991 20 30 DHEDHN COc1ccccc1O[C@@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000289605802 334166801 /nfs/dbraw/zinc/16/68/01/334166801.db2.gz LAUONWHIORXDBN-MRXNPFEDSA-N 0 3 316.445 3.868 20 30 DHEDHN CCCN(C)[C@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000291960717 334183520 /nfs/dbraw/zinc/18/35/20/334183520.db2.gz RKWLKHLOWLSRMG-MRXNPFEDSA-N 0 3 321.852 3.533 20 30 DHEDHN CC(C)[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000293208451 334196408 /nfs/dbraw/zinc/19/64/08/334196408.db2.gz ZPZYFRLCXBDXDZ-GOSISDBHSA-N 0 3 300.446 3.735 20 30 DHEDHN N#C[C@H]1CC[C@@H](N2CCC(c3noc4cc(F)ccc43)CC2)C1 ZINC000293542541 334198985 /nfs/dbraw/zinc/19/89/85/334198985.db2.gz KJXSUMWJORIHBG-SWLSCSKDSA-N 0 3 313.376 3.839 20 30 DHEDHN N#CCCOCCN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000293656353 334200178 /nfs/dbraw/zinc/20/01/78/334200178.db2.gz YHYIYIUQUJWKTP-FQEVSTJZSA-N 0 3 306.409 3.564 20 30 DHEDHN C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293801933 334202301 /nfs/dbraw/zinc/20/23/01/334202301.db2.gz VBKWYIAXKROHOP-FMKPAKJESA-N 0 3 312.392 3.744 20 30 DHEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293801941 334202377 /nfs/dbraw/zinc/20/23/77/334202377.db2.gz VBKWYIAXKROHOP-IJEWVQPXSA-N 0 3 312.392 3.744 20 30 DHEDHN N#CCCOCCN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000294553238 334210888 /nfs/dbraw/zinc/21/08/88/334210888.db2.gz KXZGQKCKQPPKGF-HNNXBMFYSA-N 0 3 312.335 3.676 20 30 DHEDHN N#CCOc1ccc(CN2CCC[C@H]2COc2ccccc2)cc1 ZINC000296036616 334229413 /nfs/dbraw/zinc/22/94/13/334229413.db2.gz AFJYOMSIKCNMOD-SFHVURJKSA-N 0 3 322.408 3.632 20 30 DHEDHN N#C[C@@H]1CC[C@H](N2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000297933663 334244987 /nfs/dbraw/zinc/24/49/87/334244987.db2.gz RJFSFICBQSEJIM-AEFFLSMTSA-N 0 3 317.864 3.540 20 30 DHEDHN COc1cccc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)c1 ZINC000298703762 334250720 /nfs/dbraw/zinc/25/07/20/334250720.db2.gz QMONIHUABMMKKO-INIZCTEOSA-N 0 3 323.440 3.896 20 30 DHEDHN CN(CCC#N)c1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000299227852 334254259 /nfs/dbraw/zinc/25/42/59/334254259.db2.gz ONDJYOGCSNPJDB-UHFFFAOYSA-N 0 3 315.367 3.604 20 30 DHEDHN CN(CCOc1ccccc1C#N)Cc1cccc(Cl)c1 ZINC000048554163 334289853 /nfs/dbraw/zinc/28/98/53/334289853.db2.gz BRDJRKPZVUBMOB-UHFFFAOYSA-N 0 3 300.789 3.722 20 30 DHEDHN C[C@@H](O)C1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000111284662 334322757 /nfs/dbraw/zinc/32/27/57/334322757.db2.gz UDASXNKZMWKAAI-MRXNPFEDSA-N 0 3 320.436 3.818 20 30 DHEDHN N#CC(C(=O)c1cc(F)cc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000340859499 334390607 /nfs/dbraw/zinc/39/06/07/334390607.db2.gz NFKVHOFGVXXFPE-GFCCVEGCSA-N 0 3 313.719 3.845 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](CC)c1cccc(Cl)c1 ZINC000341295573 334424085 /nfs/dbraw/zinc/42/40/85/334424085.db2.gz QROGUOZJTDBBKP-PBHICJAKSA-N 0 3 320.864 3.970 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CC)c1cccc(Cl)c1 ZINC000341295578 334424127 /nfs/dbraw/zinc/42/41/27/334424127.db2.gz QROGUOZJTDBBKP-WMLDXEAASA-N 0 3 320.864 3.970 20 30 DHEDHN CCc1ccc([C@@H](CNc2nc(C)ccc2C#N)N(C)C)cc1 ZINC000341356965 334440481 /nfs/dbraw/zinc/44/04/81/334440481.db2.gz QLZXWOJVKYMWAM-GOSISDBHSA-N 0 3 308.429 3.539 20 30 DHEDHN Cc1cc([C@@H](C)NCCOc2ccccc2C#N)c(C)s1 ZINC000342486436 334546777 /nfs/dbraw/zinc/54/67/77/334546777.db2.gz YYQOVXZUDDSYDW-CYBMUJFWSA-N 0 3 300.427 3.966 20 30 DHEDHN C=CCOc1ccccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000535510662 334737440 /nfs/dbraw/zinc/73/74/40/334737440.db2.gz JZDKIRWWWSXBOT-QRQLOZEOSA-N 0 3 313.441 3.689 20 30 DHEDHN CN(C)C1(CNC(=O)c2coc(C3CCCCC3)n2)CCC1 ZINC000328769303 334753155 /nfs/dbraw/zinc/75/31/55/334753155.db2.gz QPPKNYSVQTXXCY-UHFFFAOYSA-N 0 3 305.422 3.511 20 30 DHEDHN CC(C)(CNC(=O)c1cc([O-])ccc1Cl)[NH+]1CCCCC1 ZINC000331164919 334841390 /nfs/dbraw/zinc/84/13/90/334841390.db2.gz HJWAOQHYBBTJPF-UHFFFAOYSA-N 0 3 310.825 3.615 20 30 DHEDHN CN(CCCN(C)c1ccc(C#N)c(Cl)c1)Cc1ccco1 ZINC000343776589 335191309 /nfs/dbraw/zinc/19/13/09/335191309.db2.gz JAPNKJLXOJCGAR-UHFFFAOYSA-N 0 3 317.820 3.763 20 30 DHEDHN COc1cc(C)c([C@@H](C)NCc2ccc(CC#N)cc2)cc1OC ZINC000343824986 335195730 /nfs/dbraw/zinc/19/57/30/335195730.db2.gz QCKCFGGALLTBBK-OAHLLOKOSA-N 0 3 324.424 3.929 20 30 DHEDHN C[C@@H](NCc1cccc(-n2ccnc2)c1)c1ccc(C#N)cc1 ZINC000344090523 335217042 /nfs/dbraw/zinc/21/70/42/335217042.db2.gz CHJPTQKECUGAAD-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN Cc1ccc(-c2nn(-c3ccccc3)cc2CNCCCC#N)o1 ZINC000344330220 335241443 /nfs/dbraw/zinc/24/14/43/335241443.db2.gz NYKBPNZWWJOPJC-UHFFFAOYSA-N 0 3 320.396 3.834 20 30 DHEDHN Cc1ccc([C@H]2OCCC[C@@H]2NCc2cc(C#N)cs2)cc1 ZINC000344646047 335268311 /nfs/dbraw/zinc/26/83/11/335268311.db2.gz UZHSVFAOFYQGER-ZWKOTPCHSA-N 0 3 312.438 3.938 20 30 DHEDHN CO[C@H](CNCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000344735232 335272289 /nfs/dbraw/zinc/27/22/89/335272289.db2.gz APELNYAIDLZUBC-QGZVFWFLSA-N 0 3 300.789 3.689 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(-n2ccnn2)c1 ZINC000348081534 335551587 /nfs/dbraw/zinc/55/15/87/335551587.db2.gz KSWHCTNCPUWNGA-LSDHHAIUSA-N 0 3 317.396 3.551 20 30 DHEDHN COc1cc(CNCCc2nc3ccccc3s2)ccc1C#N ZINC000348932101 335622139 /nfs/dbraw/zinc/62/21/39/335622139.db2.gz DITJWSXPYYIYEB-UHFFFAOYSA-N 0 3 323.421 3.509 20 30 DHEDHN C=C(C)CN1CCC(Nc2ccnc(Cc3ccccc3)n2)CC1 ZINC000166482826 335711368 /nfs/dbraw/zinc/71/13/68/335711368.db2.gz NZTUEKISLGKWSJ-UHFFFAOYSA-N 0 3 322.456 3.520 20 30 DHEDHN CC(=O)NC1CCC(N[C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000329143782 335945326 /nfs/dbraw/zinc/94/53/26/335945326.db2.gz MJSPMCDNTQSTRF-XGNXJENSSA-N 0 3 321.490 3.960 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1C(C)C)C(C)C ZINC000520418508 335976385 /nfs/dbraw/zinc/97/63/85/335976385.db2.gz DNBFPNHJFKRZPH-QZTJIDSGSA-N 0 3 321.509 3.515 20 30 DHEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)NCCC1=CCCCC1 ZINC000329593782 335999280 /nfs/dbraw/zinc/99/92/80/335999280.db2.gz UUFZGWOBRPJOJP-QMCVQRASSA-N 0 3 320.477 3.625 20 30 DHEDHN CCN(Cc1cnc2n[nH]c(C)c2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000351607501 336049788 /nfs/dbraw/zinc/04/97/88/336049788.db2.gz KRALYECNSPPSDY-CQSZACIVSA-N 0 3 319.412 3.721 20 30 DHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@H](C)CCC2CC2)C1 ZINC000329937669 336097267 /nfs/dbraw/zinc/09/72/67/336097267.db2.gz DRLIWBTXFOVWCP-GDBMZVCRSA-N 0 3 318.465 3.575 20 30 DHEDHN C[C@@H](CNC(=O)c1coc(C2CCCC2)n1)N1CCC[C@@H](C)C1 ZINC000329956952 336099762 /nfs/dbraw/zinc/09/97/62/336099762.db2.gz LOOOJVBVTHXKMV-KGLIPLIRSA-N 0 3 319.449 3.757 20 30 DHEDHN Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000330009011 336105517 /nfs/dbraw/zinc/10/55/17/336105517.db2.gz HCAVUTUCJVYZLM-CQSZACIVSA-N 0 3 319.449 3.503 20 30 DHEDHN CC(C)c1nc([C@@H]2CCCN(Cc3ccc(CC#N)cc3)C2)no1 ZINC000332318720 336167967 /nfs/dbraw/zinc/16/79/67/336167967.db2.gz NFZWONOPLLHZBC-QGZVFWFLSA-N 0 3 324.428 3.639 20 30 DHEDHN C[C@@H](NCc1ccccc1-n1cccn1)c1ccc(C#N)cc1 ZINC000194373891 338516477 /nfs/dbraw/zinc/51/64/77/338516477.db2.gz AGZCSMMKZZSBDD-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN CCN(CC)C(=O)[C@H](NCC(C)(C)CCC#N)c1ccccc1 ZINC000352262587 336208352 /nfs/dbraw/zinc/20/83/52/336208352.db2.gz IQADWRYRIUWCDP-QGZVFWFLSA-N 0 3 315.461 3.516 20 30 DHEDHN CC[C@]1(C)CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000352611401 336226873 /nfs/dbraw/zinc/22/68/73/336226873.db2.gz HDKUIIDBBPENLP-HXUWFJFHSA-N 0 3 322.456 3.971 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@H](C)c1ccccc1 ZINC000532518280 336253449 /nfs/dbraw/zinc/25/34/49/336253449.db2.gz YJGRQMOKHOKPTP-IRXDYDNUSA-N 0 3 302.462 3.535 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000532701832 336267063 /nfs/dbraw/zinc/26/70/63/336267063.db2.gz ZJPDKDYVKVHSCJ-LJQANCHMSA-N 0 3 300.446 3.542 20 30 DHEDHN CC(C)[C@H](Cc1ccc(F)cc1)NCc1nc(C#N)cs1 ZINC000352833043 336270402 /nfs/dbraw/zinc/27/04/02/336270402.db2.gz GUUWNPPMDOZEEU-HNNXBMFYSA-N 0 3 303.406 3.511 20 30 DHEDHN N#Cc1cccc(CCNCc2cscc2Br)c1 ZINC000352851468 336279689 /nfs/dbraw/zinc/27/96/89/336279689.db2.gz BROOWTAYJMGFEZ-UHFFFAOYSA-N 0 3 321.243 3.715 20 30 DHEDHN N#Cc1ccc(NCCCN2CCc3ccccc3C2)c(F)c1 ZINC000301166048 336292871 /nfs/dbraw/zinc/29/28/71/336292871.db2.gz VMSDOHUCYDVZNL-UHFFFAOYSA-N 0 3 309.388 3.558 20 30 DHEDHN C[C@@H](c1ccccc1)N1CCC(Nc2cccc(C#N)n2)CC1 ZINC000301293595 336299244 /nfs/dbraw/zinc/29/92/44/336299244.db2.gz WCZSWJMMNDAKIP-HNNXBMFYSA-N 0 3 306.413 3.591 20 30 DHEDHN C[C@H](c1ccccc1)N1CCC(Nc2ncccc2C#N)CC1 ZINC000301316756 336300316 /nfs/dbraw/zinc/30/03/16/336300316.db2.gz NYIDXVUZGAIKCT-OAHLLOKOSA-N 0 3 306.413 3.591 20 30 DHEDHN C[C@H]1CN(CCCCNc2c(Cl)cccc2C#N)C[C@H](C)O1 ZINC000301727040 336325952 /nfs/dbraw/zinc/32/59/52/336325952.db2.gz QMEZBNXKKSHAAV-KBPBESRZSA-N 0 3 321.852 3.513 20 30 DHEDHN CCN(C)Cc1cccc(CNc2cc(C#N)ccc2C(C)=O)c1 ZINC000302068549 336346589 /nfs/dbraw/zinc/34/65/89/336346589.db2.gz XEGFWINYOBMDIP-UHFFFAOYSA-N 0 3 321.424 3.825 20 30 DHEDHN Cc1ccc(NC2CCN([C@@H](C)c3ccccc3)CC2)nc1C#N ZINC000302672842 336364186 /nfs/dbraw/zinc/36/41/86/336364186.db2.gz SFXQACDTJDYAPF-INIZCTEOSA-N 0 3 320.440 3.899 20 30 DHEDHN CCN(CC)[C@H](CNc1ccc(C)c(C#N)n1)c1ccsc1 ZINC000302681268 336364727 /nfs/dbraw/zinc/36/47/27/336364727.db2.gz WXRQHTYCJAGLGA-MRXNPFEDSA-N 0 3 314.458 3.818 20 30 DHEDHN CC(C)(CCC#N)C[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000352894375 336365444 /nfs/dbraw/zinc/36/54/44/336365444.db2.gz MPCTWWUQJLCJIH-UHFFFAOYSA-N 0 3 300.324 3.831 20 30 DHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCO[C@@H](C)C1 ZINC000352901255 336375411 /nfs/dbraw/zinc/37/54/11/336375411.db2.gz JDEWNLZESCIYAJ-DLBZAZTESA-N 0 3 305.466 3.657 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1c[nH]nc1-c1ccccc1 ZINC000352929841 336377855 /nfs/dbraw/zinc/37/78/55/336377855.db2.gz IGJVTVNMIRGKKD-UHFFFAOYSA-N 0 3 307.397 3.900 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1cn(C)nc1-c1ccccc1 ZINC000352934062 336378107 /nfs/dbraw/zinc/37/81/07/336378107.db2.gz UEVXHXLRAOBMKB-UHFFFAOYSA-N 0 3 321.424 3.911 20 30 DHEDHN C=CCc1cc(CNCc2cccc(F)c2)cc(OC)c1OC ZINC000105478324 336387646 /nfs/dbraw/zinc/38/76/46/336387646.db2.gz XXIXHOYGEMSJOU-UHFFFAOYSA-N 0 3 315.388 3.861 20 30 DHEDHN C=CCOc1ccc(CN2CCC(OC3CCC3)CC2)cc1 ZINC000418093313 336399223 /nfs/dbraw/zinc/39/92/23/336399223.db2.gz IVPMCHDAKQMARF-UHFFFAOYSA-N 0 3 301.430 3.785 20 30 DHEDHN CN(C)Cc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccc1F ZINC000353258603 336408632 /nfs/dbraw/zinc/40/86/32/336408632.db2.gz CWBBNUZOTXJVIS-FQEVSTJZSA-N 0 3 323.415 3.536 20 30 DHEDHN C[C@H](NC[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000353664303 336432972 /nfs/dbraw/zinc/43/29/72/336432972.db2.gz WAIFCSNQTXDDNY-QMIHWGKISA-N 0 3 324.399 3.514 20 30 DHEDHN N#CCCC[C@H](NCc1cnn(CC(F)F)c1)c1ccccc1 ZINC000353917894 336448163 /nfs/dbraw/zinc/44/81/63/336448163.db2.gz VYFFOBZHMLAGRP-INIZCTEOSA-N 0 3 318.371 3.673 20 30 DHEDHN Cc1noc(C)c1C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358574044 336635237 /nfs/dbraw/zinc/63/52/37/336635237.db2.gz RLCVKOLJZVYCLH-QWRGUYRKSA-N 0 3 301.365 3.584 20 30 DHEDHN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360831452 336723449 /nfs/dbraw/zinc/72/34/49/336723449.db2.gz FJDOUHJMXVQAKE-BFUOFWGJSA-N 0 3 308.429 3.719 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(c3ccccn3)CC2)cc1 ZINC000367461336 336823034 /nfs/dbraw/zinc/82/30/34/336823034.db2.gz VVBIOZUFWCFTCY-INIZCTEOSA-N 0 3 321.424 3.752 20 30 DHEDHN C=CCC[C@H](NC1CCN(c2ccccn2)CC1)c1ccco1 ZINC000367750721 336829195 /nfs/dbraw/zinc/82/91/95/336829195.db2.gz BNGBRQACFXJMSW-KRWDZBQOSA-N 0 3 311.429 3.941 20 30 DHEDHN C[C@H](NC[C@@]1(C)OCCc2sccc21)c1ccc(C#N)cc1 ZINC000368095778 336838020 /nfs/dbraw/zinc/83/80/20/336838020.db2.gz SFCINJQMOIDKLM-SCLBCKFNSA-N 0 3 312.438 3.758 20 30 DHEDHN Cc1cc(C)cc(CN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000368513450 336846518 /nfs/dbraw/zinc/84/65/18/336846518.db2.gz DZCGJIXWXCMZDN-UHFFFAOYSA-N 0 3 305.425 3.756 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000368855525 336853990 /nfs/dbraw/zinc/85/39/90/336853990.db2.gz KOUXLHIOHVZFLK-ZDUSSCGKSA-N 0 3 322.412 3.759 20 30 DHEDHN C=CCC[C@@H](CCC)N[C@@H]1CCCc2cn(CCOC)nc21 ZINC000373381503 336958867 /nfs/dbraw/zinc/95/88/67/336958867.db2.gz CPQZJUWMUQDLRU-IAGOWNOFSA-N 0 3 305.466 3.631 20 30 DHEDHN C[C@@H](NCC#Cc1ccccc1)c1ccc(-c2cncnc2)cc1 ZINC000373813062 336973590 /nfs/dbraw/zinc/97/35/90/336973590.db2.gz RDZHUXKDASTAHO-QGZVFWFLSA-N 0 3 313.404 3.846 20 30 DHEDHN C[C@@H]1N(CC#Cc2cccc(Cl)c2)CCC12CCOCC2 ZINC000375240915 337006431 /nfs/dbraw/zinc/00/64/31/337006431.db2.gz JNULGQFWRIPHDX-HNNXBMFYSA-N 0 3 303.833 3.583 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000376956906 337044132 /nfs/dbraw/zinc/04/41/32/337044132.db2.gz TYTGXMDUBCZESY-XPIZARPCSA-N 0 3 321.420 3.570 20 30 DHEDHN CC[C@H](N[C@H]1C[C@H](CO)c2ccccc21)c1ccc(C#N)cc1 ZINC000377077824 337046396 /nfs/dbraw/zinc/04/63/96/337046396.db2.gz MKHVONRTOMNDIS-UXPWSPDFSA-N 0 3 306.409 3.820 20 30 DHEDHN CC[C@H](N[C@H]1C[C@@H](CO)c2ccccc21)c1ccc(C#N)cc1 ZINC000377077825 337046400 /nfs/dbraw/zinc/04/64/00/337046400.db2.gz MKHVONRTOMNDIS-VDGAXYAQSA-N 0 3 306.409 3.820 20 30 DHEDHN Cc1cccc2c1OC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)C2 ZINC000377737796 337059898 /nfs/dbraw/zinc/05/98/98/337059898.db2.gz DICTUBMSTGHNGX-MAUKXSAKSA-N 0 3 322.408 3.552 20 30 DHEDHN Cc1nc([C@@H]2CCCN(Cc3ccccc3C(C)(C)C#N)C2)no1 ZINC000378170363 337067690 /nfs/dbraw/zinc/06/76/90/337067690.db2.gz VIARBPBKLHKIPW-MRXNPFEDSA-N 0 3 324.428 3.559 20 30 DHEDHN CCOc1cccc(CN[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000193703341 337079080 /nfs/dbraw/zinc/07/90/80/337079080.db2.gz ATDBEOPERKNHQG-HNNXBMFYSA-N 0 3 310.397 3.838 20 30 DHEDHN COCc1ccccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000193894316 337079797 /nfs/dbraw/zinc/07/97/97/337079797.db2.gz YOUQVOXIFGYVIP-HNNXBMFYSA-N 0 3 310.397 3.586 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000171729418 337088627 /nfs/dbraw/zinc/08/86/27/337088627.db2.gz QWFOCZZDMJSJQN-GQCTYLIASA-N 0 3 324.877 3.571 20 30 DHEDHN C=CCC[C@H](CO)NCc1cc(Cl)ccc1Br ZINC000321021969 337173074 /nfs/dbraw/zinc/17/30/74/337173074.db2.gz OKBCEIFNFTWWOY-GFCCVEGCSA-N 0 3 318.642 3.519 20 30 DHEDHN C=C(C)CN(C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000181048954 337179499 /nfs/dbraw/zinc/17/94/99/337179499.db2.gz RRANTTCIMFMFNG-UHFFFAOYSA-N 0 3 318.424 3.942 20 30 DHEDHN N#CC(C(=O)c1cccc2ncccc21)c1cnc2ccccc2n1 ZINC000190899551 337292230 /nfs/dbraw/zinc/29/22/30/337292230.db2.gz IAKMLFCBMIKISW-HNNXBMFYSA-N 0 3 324.343 3.668 20 30 DHEDHN N#Cc1ccc(CN(C[C@H]2CCCO2)C2CCCC2)cc1F ZINC000192042448 337302127 /nfs/dbraw/zinc/30/21/27/337302127.db2.gz OOEOLQNONALWOG-QGZVFWFLSA-N 0 3 302.393 3.621 20 30 DHEDHN C[C@@]1(NCc2cnc3ccc(C#N)cn23)CCCc2ccccc21 ZINC000583827347 337337341 /nfs/dbraw/zinc/33/73/41/337337341.db2.gz BIROYKMHABATLB-HXUWFJFHSA-N 0 3 316.408 3.547 20 30 DHEDHN N#Cc1ccccc1OCCN[C@H](CC(F)F)c1ccccc1 ZINC000420996077 337518217 /nfs/dbraw/zinc/51/82/17/337518217.db2.gz QCVFUSUTFVHEET-MRXNPFEDSA-N 0 3 316.351 3.923 20 30 DHEDHN N#Cc1ccc(N2CCC[C@H](NCc3ccsc3)C2)c(F)c1 ZINC000068991433 337545246 /nfs/dbraw/zinc/54/52/46/337545246.db2.gz RYPFRKQVFUKDFI-HNNXBMFYSA-N 0 3 315.417 3.517 20 30 DHEDHN C[C@@H]1CCC[C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1C ZINC000248553315 337564548 /nfs/dbraw/zinc/56/45/48/337564548.db2.gz JNTPVYMLFVZVTD-WWGRRREGSA-N 0 3 310.401 3.523 20 30 DHEDHN CC(C)(CCC#N)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000162362079 337616005 /nfs/dbraw/zinc/61/60/05/337616005.db2.gz SUDMSEQGAJEVHL-UHFFFAOYSA-N 0 3 319.880 3.788 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000274357496 337659682 /nfs/dbraw/zinc/65/96/82/337659682.db2.gz RCXJJUAKCGSUSN-KRWDZBQOSA-N 0 3 314.473 3.712 20 30 DHEDHN Clc1ccc(C#CCN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000429725704 337671555 /nfs/dbraw/zinc/67/15/55/337671555.db2.gz PLPFRTULVHPHHK-RCCFBDPRSA-N 0 3 315.844 3.629 20 30 DHEDHN Cc1cccc(Oc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)c1 ZINC000424076672 337731242 /nfs/dbraw/zinc/73/12/42/337731242.db2.gz MOLBLPMYRQFMEV-GOSISDBHSA-N 0 3 323.396 3.747 20 30 DHEDHN CC[C@H](C)Sc1ccc(NC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424115477 337741433 /nfs/dbraw/zinc/74/14/33/337741433.db2.gz VAUJMNYBCZPWAU-ZFWWWQNUSA-N 0 3 319.474 3.845 20 30 DHEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H](c3ccccc3)CC2)nn1 ZINC000527718688 337758760 /nfs/dbraw/zinc/75/87/60/337758760.db2.gz FKDHYFONDXFTRZ-QZTJIDSGSA-N 0 3 310.445 3.670 20 30 DHEDHN C=C(C)COc1cc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)ccc1OC ZINC000527805660 337765272 /nfs/dbraw/zinc/76/52/72/337765272.db2.gz VNCKNKIOLSITBU-YGTYGHESSA-N 0 3 319.445 3.552 20 30 DHEDHN CCc1cccc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527813181 337765732 /nfs/dbraw/zinc/76/57/32/337765732.db2.gz WBNGUICYTWPFRS-UHFFFAOYSA-N 0 3 320.436 3.916 20 30 DHEDHN CCN(CC)Cc1cccc(NC(=O)C(C#N)(CC)CC)c1 ZINC000527882537 337771521 /nfs/dbraw/zinc/77/15/21/337771521.db2.gz GGKBSGAVUMSPQJ-UHFFFAOYSA-N 0 3 301.434 3.797 20 30 DHEDHN CCOc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1OCC(C)C ZINC000424187791 337802059 /nfs/dbraw/zinc/80/20/59/337802059.db2.gz BJFMTAKIYPFFKX-DOTOQJQBSA-N 0 3 316.445 3.902 20 30 DHEDHN COc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)ccc1OC(F)F ZINC000424336333 337822711 /nfs/dbraw/zinc/82/27/11/337822711.db2.gz XQLOTCDHHHBTBE-NTZNESFSSA-N 0 3 310.344 3.639 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc(C#N)c(F)c1 ZINC000537405993 337933518 /nfs/dbraw/zinc/93/35/18/337933518.db2.gz CAOVOSKSATXNBG-NEPJUHHUSA-N 0 3 312.344 3.838 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000428393928 338049930 /nfs/dbraw/zinc/04/99/30/338049930.db2.gz QPHRRJXNNDYUQW-LJQANCHMSA-N 0 3 301.430 3.642 20 30 DHEDHN CCCc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428786783 338060993 /nfs/dbraw/zinc/06/09/93/338060993.db2.gz WZHRYDBCZVEDCM-LJQANCHMSA-N 0 3 321.424 3.559 20 30 DHEDHN C[C@H]1CN(c2cccc(F)c2)CCN1Cc1ccc(CC#N)cc1 ZINC000429236204 338074293 /nfs/dbraw/zinc/07/42/93/338074293.db2.gz LNQFUMPMFHBDHP-INIZCTEOSA-N 0 3 323.415 3.602 20 30 DHEDHN C[C@H]1CN(c2cccc(F)c2)CCN1CCCC(C)(C)C#N ZINC000429245128 338074535 /nfs/dbraw/zinc/07/45/35/338074535.db2.gz JDDXRIFNOBCWGD-HNNXBMFYSA-N 0 3 303.425 3.666 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000429862002 338091224 /nfs/dbraw/zinc/09/12/24/338091224.db2.gz CMKQZAYPWMOPBZ-KRWDZBQOSA-N 0 3 300.446 3.542 20 30 DHEDHN N#CCC1(CNCc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000430040788 338094369 /nfs/dbraw/zinc/09/43/69/338094369.db2.gz KBVHBJQKJNSSAI-UHFFFAOYSA-N 0 3 300.793 3.514 20 30 DHEDHN N#CCC1(CN[C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000430733589 338112733 /nfs/dbraw/zinc/11/27/33/338112733.db2.gz GENIBUGFLCPEGJ-AWEZNQCLSA-N 0 3 323.209 3.859 20 30 DHEDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@H](c1ccccc1)N(C)C ZINC000432152862 338147294 /nfs/dbraw/zinc/14/72/94/338147294.db2.gz LERLOIASOMNVQA-FZKQIMNGSA-N 0 3 324.384 3.570 20 30 DHEDHN CN(C)[C@@H]1CCOc2c(Nc3cccc(F)c3C#N)cccc21 ZINC000432930502 338173936 /nfs/dbraw/zinc/17/39/36/338173936.db2.gz YJUCEQSYFRPMJC-QGZVFWFLSA-N 0 3 311.360 3.826 20 30 DHEDHN CN(C)[C@H]1CCOc2c(NCc3ccc(C#N)cc3)cccc21 ZINC000433206577 338185996 /nfs/dbraw/zinc/18/59/96/338185996.db2.gz OHWWXKHBQUKQAL-SFHVURJKSA-N 0 3 307.397 3.556 20 30 DHEDHN C=CCCCCCN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000435887572 338251912 /nfs/dbraw/zinc/25/19/12/338251912.db2.gz CHOSHRFFZAATEW-AEFFLSMTSA-N 0 3 323.502 3.805 20 30 DHEDHN C=CCN(C)Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000154786901 338252606 /nfs/dbraw/zinc/25/26/06/338252606.db2.gz FSAUARYLADPCNA-UHFFFAOYSA-N 0 3 303.324 3.644 20 30 DHEDHN C=CCCOCCN[C@H]1CCc2c1cccc2Br ZINC000155653145 338299928 /nfs/dbraw/zinc/29/99/28/338299928.db2.gz BKFDZIVRSLVWIZ-HNNXBMFYSA-N 0 3 310.235 3.619 20 30 DHEDHN COc1ccc(C#N)cc1CN(CCc1ccc(F)cc1)C1CC1 ZINC000437649135 338317140 /nfs/dbraw/zinc/31/71/40/338317140.db2.gz IDZGVFVPRHUBTH-UHFFFAOYSA-N 0 3 324.399 3.913 20 30 DHEDHN CC(C)[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000438485502 338345742 /nfs/dbraw/zinc/34/57/42/338345742.db2.gz LQVGONXTQKIQIX-TZMCWYRMSA-N 0 3 319.836 3.517 20 30 DHEDHN FC(F)(F)Oc1ccc(C#CCN2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000438533256 338347113 /nfs/dbraw/zinc/34/71/13/338347113.db2.gz QISDXNVVFCNZQP-HUUCEWRRSA-N 0 3 309.331 3.669 20 30 DHEDHN C=CCC[C@@H](NCc1cccnc1OCC(F)(F)F)C1CC1 ZINC000439080065 338360440 /nfs/dbraw/zinc/36/04/40/338360440.db2.gz TYLNZWBHJHYUOX-CQSZACIVSA-N 0 3 314.351 3.857 20 30 DHEDHN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000439263934 338365465 /nfs/dbraw/zinc/36/54/65/338365465.db2.gz SWXMCOSEWDFNPE-OAQYLSRUSA-N 0 3 322.452 3.916 20 30 DHEDHN COc1cc(C#N)ccc1CN(C)CCCOCc1ccccc1 ZINC000439465095 338370433 /nfs/dbraw/zinc/37/04/33/338370433.db2.gz FCUMFNHFSSBURI-UHFFFAOYSA-N 0 3 324.424 3.606 20 30 DHEDHN C=CCOc1ccccc1CN1CCC([C@H]2CCCO2)CC1 ZINC000439776301 338377650 /nfs/dbraw/zinc/37/76/50/338377650.db2.gz SHBNHVVEEPCCBR-GOSISDBHSA-N 0 3 301.430 3.642 20 30 DHEDHN Cc1cc(NCC2CCC(C#N)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000440641239 338393790 /nfs/dbraw/zinc/39/37/90/338393790.db2.gz VXIVHEZZPAICQZ-UHFFFAOYSA-N 0 3 324.384 3.615 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(N3CCCCCC3)c2)C1 ZINC000446762721 338535343 /nfs/dbraw/zinc/53/53/43/338535343.db2.gz VKZYZHCWDRSKRT-FUHWJXTLSA-N 0 3 312.461 3.634 20 30 DHEDHN C=CCC1(C(=O)NC[C@H](c2ccccc2)N(C)C)CCCC1 ZINC000449056574 338589007 /nfs/dbraw/zinc/58/90/07/338589007.db2.gz QSIVBUZBAFXWRE-QGZVFWFLSA-N 0 3 300.446 3.542 20 30 DHEDHN C=CCCCC[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000449287974 338609865 /nfs/dbraw/zinc/60/98/65/338609865.db2.gz XYYYWIRNKHSJHV-GFCCVEGCSA-N 0 3 302.378 3.696 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2cccc(F)c2F)o1 ZINC000449523306 338634149 /nfs/dbraw/zinc/63/41/49/338634149.db2.gz XLFLMWXUMPJREG-CABCVRRESA-N 0 3 305.324 3.658 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCc2ccccc2)cc1 ZINC000449522586 338634189 /nfs/dbraw/zinc/63/41/89/338634189.db2.gz VOKTYDDMGWHJDV-UXHICEINSA-N 0 3 309.409 3.699 20 30 DHEDHN CC(C)OCCOC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000451954949 338749014 /nfs/dbraw/zinc/74/90/14/338749014.db2.gz YTFKGLHACRHSPC-INIZCTEOSA-N 0 3 316.445 3.525 20 30 DHEDHN C=CCC[C@@H](CO)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000453351045 338829728 /nfs/dbraw/zinc/82/97/28/338829728.db2.gz KMNVZZDQUXYWEI-HIFRSBDPSA-N 0 3 302.443 3.788 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCSc2ccc(OC)cc21 ZINC000453358535 338830922 /nfs/dbraw/zinc/83/09/22/338830922.db2.gz OXKPLGCVAHLINM-OAGGEKHMSA-N 0 3 305.443 3.555 20 30 DHEDHN N#Cc1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1 ZINC000453573294 338848616 /nfs/dbraw/zinc/84/86/16/338848616.db2.gz JNQPUUPYXFVEFP-UHFFFAOYSA-N 0 3 318.420 3.622 20 30 DHEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458619570 339001950 /nfs/dbraw/zinc/00/19/50/339001950.db2.gz MXFPYAYLSBZGRB-HNNXBMFYSA-N 0 3 323.506 3.566 20 30 DHEDHN C=CCC[N@@H+](C)Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459519159 339033800 /nfs/dbraw/zinc/03/38/00/339033800.db2.gz XBRZWJDFZTZHFE-UHFFFAOYSA-N 0 3 314.223 3.561 20 30 DHEDHN C=CCC[N@H+](C)Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459519159 339033801 /nfs/dbraw/zinc/03/38/01/339033801.db2.gz XBRZWJDFZTZHFE-UHFFFAOYSA-N 0 3 314.223 3.561 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559576 339035746 /nfs/dbraw/zinc/03/57/46/339035746.db2.gz LACPZVBLWTUJMI-KUHUBIRLSA-N 0 3 314.429 3.673 20 30 DHEDHN COc1ccc(CNCC(C)(C)CC#N)cc1OCC(C)C ZINC000459689983 339043172 /nfs/dbraw/zinc/04/31/72/339043172.db2.gz IXNGWDLPLSDQID-UHFFFAOYSA-N 0 3 304.434 3.759 20 30 DHEDHN Cc1nn(-c2ccc(Cl)cc2)cc1CNCC(C)(C)CC#N ZINC000459735449 339045111 /nfs/dbraw/zinc/04/51/11/339045111.db2.gz SVJPKZIPPGKNLG-UHFFFAOYSA-N 0 3 316.836 3.864 20 30 DHEDHN N#Cc1cc(Br)ccc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459792403 339048828 /nfs/dbraw/zinc/04/88/28/339048828.db2.gz UOWGIXBIYHETCR-WKPIXPDZSA-N 0 3 305.219 3.599 20 30 DHEDHN C=CCC[C@@H](CCC)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000462855602 339094460 /nfs/dbraw/zinc/09/44/60/339094460.db2.gz NZSUXPWOXRREFR-IEBWSBKVSA-N 0 3 302.462 3.800 20 30 DHEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC#Cc2ccccc2)C1 ZINC000463217324 339109927 /nfs/dbraw/zinc/10/99/27/339109927.db2.gz CCHMXECXSLEDAI-PMXSJFBMSA-N 0 3 311.469 3.690 20 30 DHEDHN C=CCN1CCC(NC(=O)NCC(C)(C)C2CCCCC2)CC1 ZINC000498231291 339141530 /nfs/dbraw/zinc/14/15/30/339141530.db2.gz JOBNGSNDQZYFOC-UHFFFAOYSA-N 0 3 321.509 3.543 20 30 DHEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000464503091 339143840 /nfs/dbraw/zinc/14/38/40/339143840.db2.gz WEPRUUKLADUDMQ-HNNXBMFYSA-N 0 3 321.424 3.671 20 30 DHEDHN CCC[C@]1(C)CCCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000464840431 339156813 /nfs/dbraw/zinc/15/68/13/339156813.db2.gz UXRWEQJBMOWOEX-LJQANCHMSA-N 0 3 316.445 3.848 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CCC[C@H]3COCC[C@H]32)cc1 ZINC000464854312 339158127 /nfs/dbraw/zinc/15/81/27/339158127.db2.gz ONKBZEQCBXEFDB-DOTOQJQBSA-N 0 3 323.358 3.558 20 30 DHEDHN C=CC[C@@H](CC)NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000466382997 339201694 /nfs/dbraw/zinc/20/16/94/339201694.db2.gz JJFBFEHESYAIGC-CYBMUJFWSA-N 0 3 316.426 3.983 20 30 DHEDHN C=CC[C@@H](CC)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000466385526 339201771 /nfs/dbraw/zinc/20/17/71/339201771.db2.gz GNYXMLYJKPDKPF-LLVKDONJSA-N 0 3 308.788 3.504 20 30 DHEDHN CC1(C)Cc2cccc(CNCCc3cccc(C#N)c3)c2O1 ZINC000466423393 339204046 /nfs/dbraw/zinc/20/40/46/339204046.db2.gz COQLRDGSHVBOGZ-UHFFFAOYSA-N 0 3 306.409 3.604 20 30 DHEDHN COCC[C@H]1CCCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000467274331 339229585 /nfs/dbraw/zinc/22/95/85/339229585.db2.gz GDAIYDVIFWUYTA-QGZVFWFLSA-N 0 3 305.849 3.830 20 30 DHEDHN COCC[C@@H]1CCCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000467272519 339229589 /nfs/dbraw/zinc/22/95/89/339229589.db2.gz DLSZQUQGFPIKRL-KRWDZBQOSA-N 0 3 305.849 3.830 20 30 DHEDHN C=CCCN(C)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000467302308 339230504 /nfs/dbraw/zinc/23/05/04/339230504.db2.gz XNZOFISAYNAWSK-QGZVFWFLSA-N 0 3 322.452 3.789 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000467329868 339231916 /nfs/dbraw/zinc/23/19/16/339231916.db2.gz DYWFYMRGDNOMHM-VQIMIIECSA-N 0 3 312.457 3.707 20 30 DHEDHN N#Cc1cccc(CCN[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000467449723 339239234 /nfs/dbraw/zinc/23/92/34/339239234.db2.gz RHTKTGDMBAIOON-NRFANRHFSA-N 0 3 313.404 3.875 20 30 DHEDHN C=C(C)COc1cc(CN2CCCO[C@@H](CC)C2)ccc1OC ZINC000467568627 339243076 /nfs/dbraw/zinc/24/30/76/339243076.db2.gz VRFHSKRHKXFXJX-KRWDZBQOSA-N 0 3 319.445 3.651 20 30 DHEDHN CC(C)(NC(=O)C(C#N)CCc1ccccc1)c1cccc(F)c1 ZINC000469703124 339295836 /nfs/dbraw/zinc/29/58/36/339295836.db2.gz UJSQQEPTNUHWGC-MRXNPFEDSA-N 0 3 324.399 3.950 20 30 DHEDHN COc1ccccc1-c1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000469721454 339296544 /nfs/dbraw/zinc/29/65/44/339296544.db2.gz VEANAIRLLJDTSV-UONOGXRCSA-N 0 3 308.381 3.699 20 30 DHEDHN C=C[C@H](CC(=O)NCCN1CCCC(C)(C)C1)c1ccccc1 ZINC000470299196 339316628 /nfs/dbraw/zinc/31/66/28/339316628.db2.gz VGUOWFFDYWCVJC-QGZVFWFLSA-N 0 3 314.473 3.585 20 30 DHEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000470600183 339323009 /nfs/dbraw/zinc/32/30/09/339323009.db2.gz GZYNOIBTHUPAMY-BXUZGUMPSA-N 0 3 310.319 3.919 20 30 DHEDHN C=CCOCCCN1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000470766437 339327239 /nfs/dbraw/zinc/32/72/39/339327239.db2.gz PXJWXSPFWCLXBR-OAHLLOKOSA-N 0 3 309.837 3.776 20 30 DHEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCCOc1cccc(C#N)c1 ZINC000470954724 339332698 /nfs/dbraw/zinc/33/26/98/339332698.db2.gz BQVQDCPQYRMKET-DOMZBBRYSA-N 0 3 312.335 3.600 20 30 DHEDHN CC(C)C1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471037612 339335117 /nfs/dbraw/zinc/33/51/17/339335117.db2.gz FYSQELKGTSXADM-JLAWEPINSA-N 0 3 323.440 3.572 20 30 DHEDHN C=CCC[C@@H](CCC)NCc1nc2cc(OC)ccc2n1C ZINC000471609608 339349426 /nfs/dbraw/zinc/34/94/26/339349426.db2.gz CEDAIJLIOBFYIB-CQSZACIVSA-N 0 3 301.434 3.806 20 30 DHEDHN C=CCSCCNCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000480021716 339555681 /nfs/dbraw/zinc/55/56/81/339555681.db2.gz PPBGBISRBWGDBG-UHFFFAOYSA-N 0 3 307.459 3.651 20 30 DHEDHN Cn1cc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)cc1C#N ZINC000480364628 339570779 /nfs/dbraw/zinc/57/07/79/339570779.db2.gz RIVFCLFCSXMQSZ-HNNXBMFYSA-N 0 3 320.223 3.981 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000480712585 339584291 /nfs/dbraw/zinc/58/42/91/339584291.db2.gz UDTDPGOTNUBNOO-BVGQSLNGSA-N 0 3 304.409 3.942 20 30 DHEDHN C=C(C)COCCN[C@@H]1CCc2cc(Br)cc(C)c21 ZINC000494592060 339954381 /nfs/dbraw/zinc/95/43/81/339954381.db2.gz NEBOEWJQCKBBFB-OAHLLOKOSA-N 0 3 324.262 3.927 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)c(C)s1)C(C)C ZINC000495917356 339994690 /nfs/dbraw/zinc/99/46/90/339994690.db2.gz LEEOTOZWUIKERE-INIZCTEOSA-N 0 3 320.502 3.793 20 30 DHEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(C(C)C)cc2)C(C)C)C1=O ZINC000499600480 340040400 /nfs/dbraw/zinc/04/04/00/340040400.db2.gz NVTKJERRNJKNJC-RBUKOAKNSA-N 0 3 314.473 3.884 20 30 DHEDHN CC(C)(COCc1ccccc1)NCC#Cc1ccc(F)cc1 ZINC000500823427 340067862 /nfs/dbraw/zinc/06/78/62/340067862.db2.gz JKZMTACMWXMDQD-UHFFFAOYSA-N 0 3 311.400 3.762 20 30 DHEDHN COc1cc(C#N)ccc1CN1C[C@@H](c2ccccc2)C[C@H]1C ZINC000501199528 340076070 /nfs/dbraw/zinc/07/60/70/340076070.db2.gz AQXDLNWAUOMCEL-BEFAXECRSA-N 0 3 306.409 3.945 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@@](C)(c2ccccc2)C1 ZINC000501239624 340076853 /nfs/dbraw/zinc/07/68/53/340076853.db2.gz LHDTVDCHKMBJJU-HXUWFJFHSA-N 0 3 306.409 3.730 20 30 DHEDHN C=CCCCCCN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503247547 340123884 /nfs/dbraw/zinc/12/38/84/340123884.db2.gz XAKXHLOUMFLIGV-KRWDZBQOSA-N 0 3 302.462 3.884 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](CC)C1)C(C)C ZINC000503414635 340127624 /nfs/dbraw/zinc/12/76/24/340127624.db2.gz YHHNZXPFAPMHGG-ZWKOTPCHSA-N 0 3 321.509 3.517 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000505056987 340160172 /nfs/dbraw/zinc/16/01/72/340160172.db2.gz FNNQSMASTOBSAA-OAHLLOKOSA-N 0 3 313.445 3.577 20 30 DHEDHN CC[C@@H]1C[C@H](CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000507786314 340231344 /nfs/dbraw/zinc/23/13/44/340231344.db2.gz YLJZDPAHMMPSBZ-LMCOJAPRSA-N 0 3 312.457 3.963 20 30 DHEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000507896389 340235371 /nfs/dbraw/zinc/23/53/71/340235371.db2.gz SDZLVFPRCLGHCY-HOTGVXAUSA-N 0 3 324.424 3.820 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(F)c(C)c1)C(C)C ZINC000508518432 340245580 /nfs/dbraw/zinc/24/55/80/340245580.db2.gz OEHLXKKRAWTLTQ-GOSISDBHSA-N 0 3 318.436 3.563 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)CC1 ZINC000510316592 340295789 /nfs/dbraw/zinc/29/57/89/340295789.db2.gz XVGMNGXQPMEJCE-QXAKKESOSA-N 0 3 318.505 3.750 20 30 DHEDHN C=C(CC)CN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510616170 340303983 /nfs/dbraw/zinc/30/39/83/340303983.db2.gz FEZLLSHTXVXNOZ-LJQANCHMSA-N 0 3 314.473 3.556 20 30 DHEDHN C=C(C)COCCNCc1ccc(OCc2ccccc2)cc1 ZINC000303336914 340321761 /nfs/dbraw/zinc/32/17/61/340321761.db2.gz XKICNTMCUUJDBR-UHFFFAOYSA-N 0 3 311.425 3.948 20 30 DHEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1c(F)cc(C#N)cc1F ZINC000303444015 340325763 /nfs/dbraw/zinc/32/57/63/340325763.db2.gz IISSFVKAAXWVRU-UPJWGTAASA-N 0 3 307.388 3.615 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@@H](C)CC ZINC000303447814 340325883 /nfs/dbraw/zinc/32/58/83/340325883.db2.gz HMVHODDEXQSHTQ-GJZGRUSLSA-N 0 3 308.491 3.629 20 30 DHEDHN CC(C#N)C(=O)N[C@H](c1cccc2ccccc21)C(F)(F)F ZINC000511810795 340338865 /nfs/dbraw/zinc/33/88/65/340338865.db2.gz WDATVJGJABRWEZ-IINYFYTJSA-N 0 3 306.287 3.719 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1ccc(N2CCCC2)nc1 ZINC000512035908 340346133 /nfs/dbraw/zinc/34/61/33/340346133.db2.gz ABTQIBOYWOGSEQ-UHFFFAOYSA-N 0 3 321.468 3.913 20 30 DHEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(C#N)cc1F ZINC000512296981 340356099 /nfs/dbraw/zinc/35/60/99/340356099.db2.gz UQOVFZYSSIBKMZ-HZZDSMARSA-N 0 3 314.404 3.696 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc[nH]c1C(C)C)C(C)C ZINC000512339277 340358017 /nfs/dbraw/zinc/35/80/17/340358017.db2.gz SOELOUQCHCJSPV-QGZVFWFLSA-N 0 3 317.477 3.567 20 30 DHEDHN C=CC[C@H](CO)CNCc1ccc(-c2ccccc2)cc1OC ZINC000512395871 340360411 /nfs/dbraw/zinc/36/04/11/340360411.db2.gz CUUJVLGCVQLNCM-INIZCTEOSA-N 0 3 311.425 3.636 20 30 DHEDHN CCC1(CC)[C@H](N[C@H](C)c2ccc(C#N)cc2F)C[C@H]1OC ZINC000512620385 340369330 /nfs/dbraw/zinc/36/93/30/340369330.db2.gz QFBKXAJLTKNITI-CSMYWGQOSA-N 0 3 304.409 3.942 20 30 DHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCc2ccccc21 ZINC000512621158 340369414 /nfs/dbraw/zinc/36/94/14/340369414.db2.gz VCBPLFYELJSGTL-CABCVRRESA-N 0 3 323.415 3.799 20 30 DHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCCC[C@H]1C ZINC000512621555 340369570 /nfs/dbraw/zinc/36/95/70/340369570.db2.gz ZGWWLJLOGRTABJ-KFWWJZLASA-N 0 3 303.425 3.611 20 30 DHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000512659106 340371515 /nfs/dbraw/zinc/37/15/15/340371515.db2.gz CXBNVROYHYUTDA-OLZOCXBDSA-N 0 3 316.351 3.955 20 30 DHEDHN COC[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512672230 340372299 /nfs/dbraw/zinc/37/22/99/340372299.db2.gz JIVVKUQHEZBZOC-YOEHRIQHSA-N 0 3 312.388 3.606 20 30 DHEDHN CC(C)(C)OC(=O)NC[C@H]1CCCCN1CCCC(C)(C)C#N ZINC000174834934 340397096 /nfs/dbraw/zinc/39/70/96/340397096.db2.gz AJWXQLMEOMNUGI-OAHLLOKOSA-N 0 3 323.481 3.696 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000185135325 340498417 /nfs/dbraw/zinc/49/84/17/340498417.db2.gz ZRZBGDIQMWQCAL-ZBFHGGJFSA-N 0 3 308.491 3.850 20 30 DHEDHN COc1cccc(C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000194884533 340596800 /nfs/dbraw/zinc/59/68/00/340596800.db2.gz YKRLTOFVJXEZLW-UHFFFAOYSA-N 0 3 306.409 3.946 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(CC2CCCCC2)CC1 ZINC000303702480 340640067 /nfs/dbraw/zinc/64/00/67/340640067.db2.gz OFKKPFUIKVFDST-KRWDZBQOSA-N 0 3 311.473 3.817 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000538184952 340812169 /nfs/dbraw/zinc/81/21/69/340812169.db2.gz OVBAFVSVORVNQQ-DLBZAZTESA-N 0 3 302.462 3.767 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000538208435 340813301 /nfs/dbraw/zinc/81/33/01/340813301.db2.gz SHCBHTUTVLFXDM-IRXDYDNUSA-N 0 3 302.462 3.767 20 30 DHEDHN C=CCN1CCC(NC(=O)NC2CC(C)(C)CC(C)(C)C2)CC1 ZINC000538519513 340830725 /nfs/dbraw/zinc/83/07/25/340830725.db2.gz SDPJBOOFKHTWAB-UHFFFAOYSA-N 0 3 321.509 3.541 20 30 DHEDHN C=CC[C@@H](CO)CNCc1cc(-c2ccccc2)ccc1OC ZINC000540325455 340927173 /nfs/dbraw/zinc/92/71/73/340927173.db2.gz HUSGZKVLCLABAQ-MRXNPFEDSA-N 0 3 311.425 3.636 20 30 DHEDHN C=CCN(Cc1cccs1)C[C@H](O)CCc1ccccc1 ZINC000542519472 341011858 /nfs/dbraw/zinc/01/18/58/341011858.db2.gz URNDVZUIBBRDQY-QGZVFWFLSA-N 0 3 301.455 3.730 20 30 DHEDHN N#CCc1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000543135425 341033571 /nfs/dbraw/zinc/03/35/71/341033571.db2.gz ILCHOXQCPYOTBP-HXUWFJFHSA-N 0 3 305.425 3.829 20 30 DHEDHN CN(c1ccccc1)C1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000543205673 341036526 /nfs/dbraw/zinc/03/65/26/341036526.db2.gz DZWIAQSJYNXWSF-UHFFFAOYSA-N 0 3 319.452 3.853 20 30 DHEDHN CN(Cc1cccc(C#N)c1)Cc1cccc(OCCCC#N)c1 ZINC000130757966 341040931 /nfs/dbraw/zinc/04/09/31/341040931.db2.gz ZZBFJJQOWMIOCD-UHFFFAOYSA-N 0 3 319.408 3.873 20 30 DHEDHN N#CCc1ccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000544120018 341070940 /nfs/dbraw/zinc/07/09/40/341070940.db2.gz KGTYSTLAZLSLLS-VQTJNVASSA-N 0 3 306.409 3.620 20 30 DHEDHN C[C@H](NCc1cccc(C#N)c1F)[C@@H]1Oc2ccccc2[C@H]1C ZINC000544515338 341084707 /nfs/dbraw/zinc/08/47/07/341084707.db2.gz WOSMHCSBPFRBAI-QHRIQVFBSA-N 0 3 310.372 3.740 20 30 DHEDHN C=CCC[C@H](C)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000544605525 341088350 /nfs/dbraw/zinc/08/83/50/341088350.db2.gz ANTNPLSBENWMQT-BMGDILEWSA-N 0 3 322.880 3.656 20 30 DHEDHN CCN(CC(=O)Nc1ccccc1SCC#N)[C@@H](C)C(C)C ZINC000072635931 341094700 /nfs/dbraw/zinc/09/47/00/341094700.db2.gz LBZXMXSKDKFMHU-AWEZNQCLSA-N 0 3 319.474 3.607 20 30 DHEDHN Cc1cccc(C)c1[C@H](C)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000544895979 341098125 /nfs/dbraw/zinc/09/81/25/341098125.db2.gz YRFCSNDMAGHSAH-INIZCTEOSA-N 0 3 321.424 3.855 20 30 DHEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000072925114 341110922 /nfs/dbraw/zinc/11/09/22/341110922.db2.gz HXSFXHXJSSMOGD-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN C=CCc1cc(CN[C@H](CC)CC(F)(F)F)cc(OC)c1O ZINC000545466252 341126309 /nfs/dbraw/zinc/12/63/09/341126309.db2.gz DXFNXQSFZRCZAH-CYBMUJFWSA-N 0 3 317.351 3.950 20 30 DHEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000134987017 341228094 /nfs/dbraw/zinc/22/80/94/341228094.db2.gz HETVRHMKWANWHO-UHFFFAOYSA-N 0 3 319.408 3.851 20 30 DHEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1C#N ZINC000135008953 341228694 /nfs/dbraw/zinc/22/86/94/341228694.db2.gz ZIUZVGXKJSCBOK-UHFFFAOYSA-N 0 3 319.408 3.849 20 30 DHEDHN COc1ccc([C@H]2CCN(Cc3ccc(OC)c(C#N)c3)C2)cc1 ZINC000135017901 341228945 /nfs/dbraw/zinc/22/89/45/341228945.db2.gz RCZGPIVDULEEAE-KRWDZBQOSA-N 0 3 322.408 3.565 20 30 DHEDHN CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000548159475 341250320 /nfs/dbraw/zinc/25/03/20/341250320.db2.gz DSEBHIMMFMNFFO-GOEBONIOSA-N 0 3 317.433 3.655 20 30 DHEDHN CC(C)c1ccc(CN2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000549346181 341291859 /nfs/dbraw/zinc/29/18/59/341291859.db2.gz VTJHBEKUHVJYDG-QUCCMNQESA-N 0 3 311.473 3.620 20 30 DHEDHN COc1cc(C#N)ccc1OCCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000081574065 341297306 /nfs/dbraw/zinc/29/73/06/341297306.db2.gz FESDLPXDCGDQLS-YWZLYKJASA-N 0 3 322.408 3.639 20 30 DHEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccccc1Cl ZINC000550010252 341308729 /nfs/dbraw/zinc/30/87/29/341308729.db2.gz CFLXLRGAZOTNCH-ZDUSSCGKSA-N 0 3 300.789 3.941 20 30 DHEDHN N#Cc1ccc2ncc(CNC3(c4ccccc4)CCCC3)n2c1 ZINC000551547508 341345100 /nfs/dbraw/zinc/34/51/00/341345100.db2.gz PLEIONOUBQLISJ-UHFFFAOYSA-N 0 3 316.408 3.765 20 30 DHEDHN Cc1ccccc1OCCCNC1(c2cccc(C#N)c2)CC1 ZINC000551713890 341349779 /nfs/dbraw/zinc/34/97/79/341349779.db2.gz MJCCAVSKHADPTL-UHFFFAOYSA-N 0 3 306.409 3.915 20 30 DHEDHN C=CCC[C@H](NC[C@H](CC(C)C)N1CCOCC1)c1ccco1 ZINC000552224239 341379527 /nfs/dbraw/zinc/37/95/27/341379527.db2.gz OVIFGATVYMMTDV-ROUUACIJSA-N 0 3 320.477 3.623 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000552445191 341394199 /nfs/dbraw/zinc/39/41/99/341394199.db2.gz FFFFTOOXNXFASJ-SFHVURJKSA-N 0 3 320.864 3.827 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000249312395 341396288 /nfs/dbraw/zinc/39/62/88/341396288.db2.gz IWMCRVPWEDAVMA-GJZGRUSLSA-N 0 3 306.475 3.698 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)cc1)c1ccc(OC)c(OC)c1 ZINC000268790265 341603933 /nfs/dbraw/zinc/60/39/33/341603933.db2.gz ULNVBUJNYSOJKC-KRWDZBQOSA-N 0 3 310.397 3.816 20 30 DHEDHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(-n2cccn2)cc1 ZINC000177708156 341924589 /nfs/dbraw/zinc/92/45/89/341924589.db2.gz CCJJCMJCBXHXCI-CYBMUJFWSA-N 0 3 308.410 3.656 20 30 DHEDHN CC(C)(C)C1=CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000340190280 534542051 /nfs/dbraw/zinc/54/20/51/534542051.db2.gz GZLBQZZSFWSZJZ-UHFFFAOYSA-N 0 3 311.429 3.565 20 30 DHEDHN Cc1cc(C(F)(F)F)ccc1CNCc1cc(C#N)n(C)c1 ZINC000191622731 524203538 /nfs/dbraw/zinc/20/35/38/524203538.db2.gz FJHFGTANTGTCFX-UHFFFAOYSA-N 0 3 307.319 3.514 20 30 DHEDHN COc1ccccc1O[C@H](C)CN[C@@H](C)c1cccc(C#N)c1 ZINC000181831712 524692545 /nfs/dbraw/zinc/69/25/45/524692545.db2.gz ZWOGFGLQJQWMNG-CABCVRRESA-N 0 3 310.397 3.685 20 30 DHEDHN C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@H]12 ZINC000182477624 525037019 /nfs/dbraw/zinc/03/70/19/525037019.db2.gz LSRKWEHFTWTSTQ-XYPHTWIQSA-N 0 3 322.412 3.619 20 30 DHEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(C#N)c1C ZINC000249295037 526778292 /nfs/dbraw/zinc/77/82/92/526778292.db2.gz AZOLFLCSRCXNME-KTSGXFQWSA-N 0 3 317.433 3.509 20 30 DHEDHN Cc1nc2c(s1)CCC[C@@H]2CNCc1ccc(C#N)s1 ZINC000366397910 527104300 /nfs/dbraw/zinc/10/43/00/527104300.db2.gz DNOMCBMVUZQZLT-LLVKDONJSA-N 0 3 303.456 3.594 20 30 DHEDHN Cn1cc(CN2CC[C@H](CSc3ccccc3)C2)cc1C#N ZINC000191416508 527205616 /nfs/dbraw/zinc/20/56/16/527205616.db2.gz SVJYJLKFPMCFCT-HNNXBMFYSA-N 0 3 311.454 3.511 20 30 DHEDHN Cc1ccc(CN(C)CCOCc2ccc(C#N)cc2)s1 ZINC000517783651 1013072256 /nfs/dbraw/zinc/07/22/56/1013072256.db2.gz UQKUMPRZXHQHKO-UHFFFAOYSA-N 0 3 300.427 3.577 20 30 DHEDHN C=CCOc1cccc(NC(=O)[C@H](C(C)C)N2CCCCC2)c1 ZINC000517824377 1013079731 /nfs/dbraw/zinc/07/97/31/1013079731.db2.gz SEZDRSWBXHRWAE-SFHVURJKSA-N 0 3 316.445 3.700 20 30 DHEDHN C=CC[C@H](C)N[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000116907866 1013161525 /nfs/dbraw/zinc/16/15/25/1013161525.db2.gz CUIQKLYZPAIZGF-HNAYVOBHSA-N 0 3 324.424 3.929 20 30 DHEDHN COc1ccc(C(=O)C(C#N)c2nc3ccccc3s2)cc1 ZINC000018030262 1013280670 /nfs/dbraw/zinc/28/06/70/1013280670.db2.gz NKLPOZMSDNOLGP-CYBMUJFWSA-N 0 3 308.362 3.795 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000519286759 1013299629 /nfs/dbraw/zinc/29/96/29/1013299629.db2.gz HZQKJABYMVESBS-UHFFFAOYSA-N 0 3 307.825 3.502 20 30 DHEDHN C=CCN1CCC(NC(=O)N[C@@H](CCC)C2CCCCC2)CC1 ZINC000519302906 1013301904 /nfs/dbraw/zinc/30/19/04/1013301904.db2.gz WQIHKJAXKIYBDH-SFHVURJKSA-N 0 3 321.509 3.685 20 30 DHEDHN C=CCN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000058933131 1013365747 /nfs/dbraw/zinc/36/57/47/1013365747.db2.gz KQSCKORAWBHNSD-UHFFFAOYSA-N 0 3 312.369 3.662 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc2c1NCCC2 ZINC000894589228 1013430015 /nfs/dbraw/zinc/43/00/15/1013430015.db2.gz MAOGJCTYBQGWKM-LJQANCHMSA-N 0 3 303.409 3.693 20 30 DHEDHN C=CCN(CCc1ccccc1)C[C@H](C)NC(=O)OC(C)(C)C ZINC001167273444 1013488369 /nfs/dbraw/zinc/48/83/69/1013488369.db2.gz GWCKXYCVDVEESC-INIZCTEOSA-N 0 3 318.461 3.630 20 30 DHEDHN C=CCCCCN1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664937559 1013578838 /nfs/dbraw/zinc/57/88/38/1013578838.db2.gz BEUGNTXLEUAXFV-UHFFFAOYSA-N 0 3 315.392 3.805 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000120945101 1013607919 /nfs/dbraw/zinc/60/79/19/1013607919.db2.gz FRWUACDVLQOBSA-OWCLPIDISA-N 0 3 315.376 3.553 20 30 DHEDHN CC[C@@H](c1ccccc1)N(CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000520174785 1013669553 /nfs/dbraw/zinc/66/95/53/1013669553.db2.gz ZVPMCQCBJJEDHN-PKOBYXMFSA-N 0 3 315.461 3.514 20 30 DHEDHN C=CCOCCNCc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000655758232 1013695472 /nfs/dbraw/zinc/69/54/72/1013695472.db2.gz UISUNZMKYKYEGH-UHFFFAOYSA-N 0 3 302.443 3.719 20 30 DHEDHN C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)c1cccc(C#N)c1 ZINC000610318993 1013894971 /nfs/dbraw/zinc/89/49/71/1013894971.db2.gz CQVWKAIJHKWVAF-AWEZNQCLSA-N 0 3 322.412 3.503 20 30 DHEDHN CN(C)c1cccc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000610368078 1013995911 /nfs/dbraw/zinc/99/59/11/1013995911.db2.gz BSIBVKHBWFEIJQ-UHFFFAOYSA-N 0 3 305.425 3.789 20 30 DHEDHN N#Cc1csc(CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000177701413 1014001378 /nfs/dbraw/zinc/00/13/78/1014001378.db2.gz IKFPWDHOJDOIEN-UHFFFAOYSA-N 0 3 316.401 3.554 20 30 DHEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cc2ccccc2o1 ZINC000561794689 1032080109 /nfs/dbraw/zinc/08/01/09/1032080109.db2.gz VQWCQURJOAZXMP-UHFFFAOYSA-N 0 3 320.392 3.953 20 30 DHEDHN CC(C)(C)[C@@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075716459 1014215576 /nfs/dbraw/zinc/21/55/76/1014215576.db2.gz ZPGFHUXKESLYLH-HNNXBMFYSA-N 0 3 310.401 3.619 20 30 DHEDHN N#Cc1ccccc1-c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000057878621 1014286406 /nfs/dbraw/zinc/28/64/06/1014286406.db2.gz HDFOTAJKKGLEPP-UHFFFAOYSA-N 0 3 301.393 3.961 20 30 DHEDHN CC(C)C[C@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441550554 1014327511 /nfs/dbraw/zinc/32/75/11/1014327511.db2.gz SAQUUZQFBJDOHP-MRXNPFEDSA-N 0 3 310.401 3.619 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Oc3cccc(F)c3)nc2)C1 ZINC000442781666 1014729288 /nfs/dbraw/zinc/72/92/88/1014729288.db2.gz NESHBVSVWHFIQG-XJKSGUPXSA-N 0 3 311.360 3.795 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000442851435 1014755711 /nfs/dbraw/zinc/75/57/11/1014755711.db2.gz DVMWTPGOINMNQC-CDMKHQONSA-N 0 3 323.259 3.878 20 30 DHEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CSc3ccc(Br)cc32)C1 ZINC000442851443 1014756243 /nfs/dbraw/zinc/75/62/43/1014756243.db2.gz DVMWTPGOINMNQC-XWIASGKRSA-N 0 3 323.259 3.878 20 30 DHEDHN C#CCCOc1ccc(CNC(C)(C)c2ccc(C)nc2)cc1 ZINC000759184728 1014972361 /nfs/dbraw/zinc/97/23/61/1014972361.db2.gz HCNUTMHIHDCOOU-UHFFFAOYSA-N 0 3 308.425 3.817 20 30 DHEDHN CCCCN(CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051281132 1014989971 /nfs/dbraw/zinc/98/99/71/1014989971.db2.gz IRWDNXIJFQWCRP-UHFFFAOYSA-N 0 3 315.461 3.672 20 30 DHEDHN N#Cc1ccccc1CN1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931365532 1032108911 /nfs/dbraw/zinc/10/89/11/1032108911.db2.gz LGEPLWYQSRTGEN-KRWDZBQOSA-N 0 3 316.408 3.814 20 30 DHEDHN C=CCCSCCNCc1cnc(CC(F)(F)F)s1 ZINC000895331201 1015065139 /nfs/dbraw/zinc/06/51/39/1015065139.db2.gz TXSBLINIGMMEID-UHFFFAOYSA-N 0 3 310.410 3.647 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](C)c2ccncc2)c([O-])c1 ZINC000749844651 1015079417 /nfs/dbraw/zinc/07/94/17/1015079417.db2.gz LETPIZGSMPRKNC-JTMDUIFQSA-N 0 3 311.429 3.856 20 30 DHEDHN Cc1nn(C(C)C)c(C)c1CN(C)CCc1cccc(C#N)c1 ZINC000895784970 1015301548 /nfs/dbraw/zinc/30/15/48/1015301548.db2.gz AEVCDISSUGMMJX-UHFFFAOYSA-N 0 3 310.445 3.627 20 30 DHEDHN CN(CCc1cccc(C#N)c1)Cc1cn(C)nc1C1CCCC1 ZINC000895786629 1015301610 /nfs/dbraw/zinc/30/16/10/1015301610.db2.gz XOBVNNBEWTVIBX-UHFFFAOYSA-N 0 3 322.456 3.624 20 30 DHEDHN C=CCCC1(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC000474390301 1015314656 /nfs/dbraw/zinc/31/46/56/1015314656.db2.gz ADVYVQUUJHAUHF-GOSISDBHSA-N 0 3 314.473 3.714 20 30 DHEDHN C[C@]1(CNCc2cccc(F)c2C#N)CCOC2(CCC2)C1 ZINC000895823003 1015317738 /nfs/dbraw/zinc/31/77/38/1015317738.db2.gz QJTZWAIVMWMMCV-KRWDZBQOSA-N 0 3 302.393 3.526 20 30 DHEDHN CC(C)c1cc([C@H]2CCCN(Cc3csc(C#N)c3)C2)n[nH]1 ZINC000895927476 1015366622 /nfs/dbraw/zinc/36/66/22/1015366622.db2.gz LBXJRVJAVBYOAI-AWEZNQCLSA-N 0 3 314.458 3.846 20 30 DHEDHN C=C(C)CN(CC)Cc1cc(I)cs1 ZINC001141864351 1015422812 /nfs/dbraw/zinc/42/28/12/1015422812.db2.gz FYDPYGUDAHQGON-UHFFFAOYSA-N 0 3 321.227 3.751 20 30 DHEDHN N#Cc1cc(CN2CCC(c3c[nH]c4ncccc34)CC2)cs1 ZINC000891713520 1015563475 /nfs/dbraw/zinc/56/34/75/1015563475.db2.gz HPHWOHMEORLHMX-UHFFFAOYSA-N 0 3 322.437 3.876 20 30 DHEDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(-c2cccs2)on1 ZINC000329207438 1015659284 /nfs/dbraw/zinc/65/92/84/1015659284.db2.gz FEOWCCMDJKZTPX-GFCCVEGCSA-N 0 3 319.430 3.582 20 30 DHEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCC(C)(C)C#N ZINC000347188021 1016778980 /nfs/dbraw/zinc/77/89/80/1016778980.db2.gz DVIFLXSNPCMLQK-JTQLQIEISA-N 0 3 316.371 3.653 20 30 DHEDHN N#Cc1cccc(OCCCN2CC=C(c3cccnc3)CC2)c1 ZINC000361907504 1032151400 /nfs/dbraw/zinc/15/14/00/1032151400.db2.gz KSTLKMIUKBILCT-UHFFFAOYSA-N 0 3 319.408 3.511 20 30 DHEDHN C=CCCn1cc(CNCCCCc2ccc(Cl)s2)nn1 ZINC000657462658 1016917706 /nfs/dbraw/zinc/91/77/06/1016917706.db2.gz DUUCOVYQIQOGOR-UHFFFAOYSA-N 0 3 324.881 3.682 20 30 DHEDHN C=CCCn1cc(CNC[C@H]2CCC[C@H]2c2ccccc2)nn1 ZINC000657480515 1016993007 /nfs/dbraw/zinc/99/30/07/1016993007.db2.gz PYMXZMWSPNQKFX-MJGOQNOKSA-N 0 3 310.445 3.528 20 30 DHEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@@H]2c2ccccc2)nn1 ZINC000657480516 1016993592 /nfs/dbraw/zinc/99/35/92/1016993592.db2.gz PYMXZMWSPNQKFX-PKOBYXMFSA-N 0 3 310.445 3.528 20 30 DHEDHN Cc1ncc([C@@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000772960745 1032200075 /nfs/dbraw/zinc/20/00/75/1032200075.db2.gz VSFIMLKWBZURDX-NWDGAFQWSA-N 0 3 301.415 3.766 20 30 DHEDHN C=CCCC1(CNC(=O)[C@@H](C)N2CCCCCC2)CCCC1 ZINC001147172644 1032288851 /nfs/dbraw/zinc/28/88/51/1032288851.db2.gz UVCFSKQCZZYTGX-QGZVFWFLSA-N 0 3 306.494 3.894 20 30 DHEDHN C#C[C@@H]1CCCN([C@@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001171327124 1032379355 /nfs/dbraw/zinc/37/93/55/1032379355.db2.gz VDSKYQVCBHXUBZ-ZIAGYGMSSA-N 0 3 303.833 3.551 20 30 DHEDHN Cc1c(CSC(C)C)cccc1NC(=O)[C@@H](N)CCCC#N ZINC000424124678 1011915406 /nfs/dbraw/zinc/91/54/06/1011915406.db2.gz MONYWNJZEWAOOH-HNNXBMFYSA-N 0 3 319.474 3.596 20 30 DHEDHN CC[C@H](C)[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424134695 1011915552 /nfs/dbraw/zinc/91/55/52/1011915552.db2.gz YROOCSKVYLVFQY-MAZHCROVSA-N 0 3 321.852 3.565 20 30 DHEDHN CN(c1ccccc1)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000424188441 1011938376 /nfs/dbraw/zinc/93/83/76/1011938376.db2.gz CCMVBKDEQGYHGS-DOTOQJQBSA-N 0 3 306.413 3.631 20 30 DHEDHN C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1Cl ZINC000049508669 1011957228 /nfs/dbraw/zinc/95/72/28/1011957228.db2.gz WKDAZPQGYSXYQN-YVEFUNNKSA-N 0 3 300.789 3.596 20 30 DHEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cc(Br)ccc1F ZINC000424324823 1011982987 /nfs/dbraw/zinc/98/29/87/1011982987.db2.gz KFUQOLMGZGERNR-JFGNBEQYSA-N 0 3 311.198 3.931 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc3cccnc32)cc1 ZINC000237492056 1032594972 /nfs/dbraw/zinc/59/49/72/1032594972.db2.gz MECHUNKBVVTLFT-HNNXBMFYSA-N 0 3 317.392 3.815 20 30 DHEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000424607309 1012059441 /nfs/dbraw/zinc/05/94/41/1012059441.db2.gz KQMFNKBIHKSDHD-DOTOQJQBSA-N 0 3 300.446 3.540 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000154326106 1012664722 /nfs/dbraw/zinc/66/47/22/1012664722.db2.gz JPEOZOZXZHTVHN-HOTGVXAUSA-N 0 3 304.393 3.982 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@H]3COCC[C@@H]32)cc1Cl ZINC000537687499 1032643826 /nfs/dbraw/zinc/64/38/26/1032643826.db2.gz IUPQAGNEEOCQLW-WBVHZDCISA-N 0 3 321.848 3.906 20 30 DHEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000342732909 1017123415 /nfs/dbraw/zinc/12/34/15/1017123415.db2.gz FGTJJWVVXCYMKS-KGLIPLIRSA-N 0 3 300.402 3.506 20 30 DHEDHN CC(C)(CCC#N)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000160209829 1017210077 /nfs/dbraw/zinc/21/00/77/1017210077.db2.gz TVYVJMSGIAPGPD-KRWDZBQOSA-N 0 3 316.445 3.703 20 30 DHEDHN CC(C)(CCC#N)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000160209829 1017210085 /nfs/dbraw/zinc/21/00/85/1017210085.db2.gz TVYVJMSGIAPGPD-KRWDZBQOSA-N 0 3 316.445 3.703 20 30 DHEDHN C[C@H]1CCC[C@@H](N(C)Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075637870 1017338942 /nfs/dbraw/zinc/33/89/42/1017338942.db2.gz IXGDIKLLLNUCAD-XJKSGUPXSA-N 0 3 310.401 3.619 20 30 DHEDHN CC#CCN[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180604594 1017487394 /nfs/dbraw/zinc/48/73/94/1017487394.db2.gz PJHOHHDDHQWNEE-AWEZNQCLSA-N 0 3 310.372 3.752 20 30 DHEDHN CC[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000182277673 1017889042 /nfs/dbraw/zinc/88/90/42/1017889042.db2.gz SAXAHFRPMJGYEX-HOTGVXAUSA-N 0 3 311.347 3.604 20 30 DHEDHN C#CC[C@@H]1CCCN(Cc2cccc(C)c2Br)C1 ZINC001171491005 1032730893 /nfs/dbraw/zinc/73/08/93/1032730893.db2.gz RNMKSWZCUPNROO-CQSZACIVSA-N 0 3 306.247 3.993 20 30 DHEDHN CCc1ccccc1CN(CCOC)Cc1ccc(C#N)cc1 ZINC000445800324 1017975645 /nfs/dbraw/zinc/97/56/45/1017975645.db2.gz XATVSCUUFJZDRM-UHFFFAOYSA-N 0 3 308.425 3.769 20 30 DHEDHN CCOc1c(Cl)cc(CN[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000349821768 1018001167 /nfs/dbraw/zinc/00/11/67/1018001167.db2.gz MTZIAHJSSYSEIW-DGCLKSJQSA-N 0 3 308.809 3.529 20 30 DHEDHN Cc1cc(CN2CCC(Oc3ccccc3)CC2)ccc1C#N ZINC000362923779 1018072617 /nfs/dbraw/zinc/07/26/17/1018072617.db2.gz LNBMPCDEHQDCQG-UHFFFAOYSA-N 0 3 306.409 3.910 20 30 DHEDHN CCCCN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764136496 1018167707 /nfs/dbraw/zinc/16/77/07/1018167707.db2.gz ZQVVEOQYIRTTRN-KRWDZBQOSA-N 0 3 315.461 3.752 20 30 DHEDHN N#CCC1CCN([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171541859 1032752890 /nfs/dbraw/zinc/75/28/90/1032752890.db2.gz LQKLKNHZYQCYKK-ZDUSSCGKSA-N 0 3 308.347 3.587 20 30 DHEDHN C=CCCCC[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000381141979 1018231834 /nfs/dbraw/zinc/23/18/34/1018231834.db2.gz SEHMVXFDWWGJCF-UHFFFAOYSA-N 0 3 314.223 3.609 20 30 DHEDHN COc1ccc(CCCN(C)CC#Cc2ccc(F)cc2)cc1 ZINC000446765809 1018239954 /nfs/dbraw/zinc/23/99/54/1018239954.db2.gz FWGYKCVGYYFUFZ-UHFFFAOYSA-N 0 3 311.400 3.750 20 30 DHEDHN C=C(C)COc1cc(C[NH2+]Cc2ccccc2[O-])ccc1OC ZINC000263722336 1032762579 /nfs/dbraw/zinc/76/25/79/1032762579.db2.gz WJXJXPXYKUXJON-UHFFFAOYSA-N 0 3 313.397 3.646 20 30 DHEDHN Cc1cccc([C@H]2CCCN2Cc2ccc(OCC#N)cc2)n1 ZINC000766135665 1018477830 /nfs/dbraw/zinc/47/78/30/1018477830.db2.gz NBMYBAIKZRBOHW-LJQANCHMSA-N 0 3 307.397 3.630 20 30 DHEDHN Cc1cc(C#N)ccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000676659537 1018798726 /nfs/dbraw/zinc/79/87/26/1018798726.db2.gz SWSBXAOYEVCYQB-QGZVFWFLSA-N 0 3 311.344 3.905 20 30 DHEDHN C[C@@H](C#N)Oc1ccc(CN[C@@]2(C)CCOc3ccccc32)cc1 ZINC000923025361 1018990108 /nfs/dbraw/zinc/99/01/08/1018990108.db2.gz NYBLCYYVRPYCNG-YWZLYKJASA-N 0 3 322.408 3.765 20 30 DHEDHN CC[C@H]1CCCCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075765763 1019047822 /nfs/dbraw/zinc/04/78/22/1019047822.db2.gz COTUZCYJLVNIAP-INIZCTEOSA-N 0 3 310.401 3.763 20 30 DHEDHN C=C[C@H](CO)N[C@@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000353564728 1019111820 /nfs/dbraw/zinc/11/18/20/1019111820.db2.gz HXYNZOAAHZGOLS-IUODEOHRSA-N 0 3 324.262 3.698 20 30 DHEDHN C=C(C)[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccc(F)c(F)c1 ZINC001128248620 1019242358 /nfs/dbraw/zinc/24/23/58/1019242358.db2.gz FPJCADKFQRHNBL-DLBZAZTESA-N 0 3 322.399 3.571 20 30 DHEDHN C[C@H]1Cc2cc(CNCc3ccc(C#N)c(Cl)c3)ccc2O1 ZINC000922108126 1019457639 /nfs/dbraw/zinc/45/76/39/1019457639.db2.gz CNDPMFOAHINONN-LBPRGKRZSA-N 0 3 312.800 3.825 20 30 DHEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCOc1cccc(C#N)c1 ZINC000611553986 1019513953 /nfs/dbraw/zinc/51/39/53/1019513953.db2.gz AGGDZJKJMWBLID-TZMCWYRMSA-N 0 3 312.335 3.600 20 30 DHEDHN C=CCOc1ccccc1CN(CC)CCc1nccs1 ZINC000093764545 1019580236 /nfs/dbraw/zinc/58/02/36/1019580236.db2.gz MAAVXNZNPFVJSN-UHFFFAOYSA-N 0 3 302.443 3.773 20 30 DHEDHN C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000347548067 1019623689 /nfs/dbraw/zinc/62/36/89/1019623689.db2.gz BYRJDFYNWDHXEV-CYBMUJFWSA-N 0 3 310.401 3.667 20 30 DHEDHN C#CC[C@@H](COC)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000858335503 1032850309 /nfs/dbraw/zinc/85/03/09/1032850309.db2.gz VVCGHQIKGFMJLZ-AWEZNQCLSA-N 0 3 320.845 3.591 20 30 DHEDHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccccc1C#N ZINC000012673879 1019979730 /nfs/dbraw/zinc/97/97/30/1019979730.db2.gz HQYKFTPNVPKVOE-KUHUBIRLSA-N 0 3 319.408 3.626 20 30 DHEDHN N#Cc1cccc(CN2CCC(OCc3ccccc3F)CC2)c1 ZINC000091867969 1020063559 /nfs/dbraw/zinc/06/35/59/1020063559.db2.gz SDWOHDBBDMKFAC-UHFFFAOYSA-N 0 3 324.399 3.879 20 30 DHEDHN COc1ccc(CCCN(C)Cc2ccc(C#N)s2)cc1 ZINC000123746903 1020096546 /nfs/dbraw/zinc/09/65/46/1020096546.db2.gz AJYMTGUDCLFCIW-UHFFFAOYSA-N 0 3 300.427 3.693 20 30 DHEDHN CN(CCC#N)c1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000922586027 1020147266 /nfs/dbraw/zinc/14/72/66/1020147266.db2.gz SZNMQJOMIQTBAT-HXUWFJFHSA-N 0 3 320.440 3.672 20 30 DHEDHN Cc1nsc(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1C#N ZINC000329358589 1020173424 /nfs/dbraw/zinc/17/34/24/1020173424.db2.gz GFCMHYFOUPHZDU-ZFWWWQNUSA-N 0 3 312.442 3.571 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccoc2)cc1 ZINC000131525743 1020180950 /nfs/dbraw/zinc/18/09/50/1020180950.db2.gz JBXQMHILDJSGHF-MLGOLLRUSA-N 0 3 310.353 3.754 20 30 DHEDHN COC[C@H](C)Oc1ccc(CNCc2ccc(C)c(C#N)c2)cc1 ZINC000922760592 1020252348 /nfs/dbraw/zinc/25/23/48/1020252348.db2.gz WRJICGWFIVZXSI-INIZCTEOSA-N 0 3 324.424 3.570 20 30 DHEDHN N#CCOc1ccc(CN2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC000733313394 1020363082 /nfs/dbraw/zinc/36/30/82/1020363082.db2.gz QOWCGLRIQOIOGH-FQEVSTJZSA-N 0 3 322.408 3.632 20 30 DHEDHN CC[C@@H]1C[C@H](N[C@@H](C)CC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171816493 1032898405 /nfs/dbraw/zinc/89/84/05/1032898405.db2.gz MGCMQIQMRYXZLK-JONQDZQNSA-N 0 3 323.481 3.835 20 30 DHEDHN N#CC(C(=O)CCc1cscn1)c1ccc2ccccc2n1 ZINC000733679552 1020423393 /nfs/dbraw/zinc/42/33/93/1020423393.db2.gz ANHPPTABNBRYIX-AWEZNQCLSA-N 0 3 307.378 3.500 20 30 DHEDHN CN(C)/C=N/c1ccc(N[C@@H]2CCNc3ccccc32)cc1C#N ZINC001168644032 1020513945 /nfs/dbraw/zinc/51/39/45/1020513945.db2.gz HCGNOGGUPLBLOL-PPRFWAEMSA-N 0 3 319.412 3.748 20 30 DHEDHN Cc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000073977182 1020519731 /nfs/dbraw/zinc/51/97/31/1020519731.db2.gz HZXQDPKEVUCQCU-HNNXBMFYSA-N 0 3 304.349 3.945 20 30 DHEDHN CCCCN(CC)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000216454905 1020520796 /nfs/dbraw/zinc/52/07/96/1020520796.db2.gz XFPRBKYARGFSAS-LBPRGKRZSA-N 0 3 307.825 3.661 20 30 DHEDHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCCC1 ZINC000014705161 1020542795 /nfs/dbraw/zinc/54/27/95/1020542795.db2.gz GEJMBKMIHMVJHR-UHFFFAOYSA-N 0 3 319.836 3.805 20 30 DHEDHN N#CCCCN[C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000612416965 1020552629 /nfs/dbraw/zinc/55/26/29/1020552629.db2.gz QDENCYSSLWAPQP-LSDHHAIUSA-N 0 3 323.234 3.563 20 30 DHEDHN CCCOc1ccc(CNCc2c(C)cc(C#N)cc2C)cn1 ZINC000921709697 1020556836 /nfs/dbraw/zinc/55/68/36/1020556836.db2.gz FJFUPJDKQIZLIY-UHFFFAOYSA-N 0 3 309.413 3.649 20 30 DHEDHN COCc1cc(CNCc2c(C)cc(C#N)cc2C)ccc1F ZINC000921710394 1020558382 /nfs/dbraw/zinc/55/83/82/1020558382.db2.gz MIEDPQNEINJWIK-UHFFFAOYSA-N 0 3 312.388 3.750 20 30 DHEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CC(C)C)c1 ZINC000065961561 1020605399 /nfs/dbraw/zinc/60/53/99/1020605399.db2.gz DZSWSGDVRVURHW-KRWDZBQOSA-N 0 3 315.461 3.526 20 30 DHEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)cc1Cl ZINC000163875485 1020621932 /nfs/dbraw/zinc/62/19/32/1020621932.db2.gz KYTOGHVZNKXBRF-CZUORRHYSA-N 0 3 306.837 3.727 20 30 DHEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000131190931 1032922293 /nfs/dbraw/zinc/92/22/93/1032922293.db2.gz FCNVGLMOQHBUQS-UHFFFAOYSA-N 0 3 318.424 3.540 20 30 DHEDHN CC1(C)CO[C@H](CCC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000892553017 1020985109 /nfs/dbraw/zinc/98/51/09/1020985109.db2.gz HGAVHWPGXOGCRY-OLZOCXBDSA-N 0 3 312.369 3.599 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1c1ccccc1C ZINC000613492070 1020998713 /nfs/dbraw/zinc/99/87/13/1020998713.db2.gz FKXWIDQFFXUGLU-SFHVURJKSA-N 0 3 300.446 3.557 20 30 DHEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)c1ccccc1C ZINC000741780935 1021051976 /nfs/dbraw/zinc/05/19/76/1021051976.db2.gz GSDVHBRBFOXCRQ-FQEVSTJZSA-N 0 3 311.425 3.725 20 30 DHEDHN COc1cc(OC)c(OC)cc1CN(CCCC#N)C(C)(C)C ZINC000131946178 1032955390 /nfs/dbraw/zinc/95/53/90/1032955390.db2.gz WUZGFGZXBJGAHX-UHFFFAOYSA-N 0 3 320.433 3.617 20 30 DHEDHN N#Cc1ccccc1OC1CCN(CCCC(F)(F)F)CC1 ZINC001202434009 1021270100 /nfs/dbraw/zinc/27/01/00/1021270100.db2.gz XRUNNSHKNRDFKE-UHFFFAOYSA-N 0 3 312.335 3.744 20 30 DHEDHN C#CCOc1ccccc1CNCCc1nc2ccccc2s1 ZINC000743767959 1021363605 /nfs/dbraw/zinc/36/36/05/1021363605.db2.gz PDMBJXMNKYVJQG-UHFFFAOYSA-N 0 3 322.433 3.641 20 30 DHEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000744028482 1021405103 /nfs/dbraw/zinc/40/51/03/1021405103.db2.gz IBGHTMDHMMLCGX-CZUORRHYSA-N 0 3 314.429 3.895 20 30 DHEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2ccc(C)o2)cc1 ZINC000744028143 1021405779 /nfs/dbraw/zinc/40/57/79/1021405779.db2.gz HGILXHACUSMWDJ-XJKSGUPXSA-N 0 3 324.380 3.602 20 30 DHEDHN CC(C)(C)OC(=O)N1CC[C@H](NCCC#N)CC12CCCCC2 ZINC001172049124 1032977722 /nfs/dbraw/zinc/97/77/22/1032977722.db2.gz KTNWFQLYVRABOR-HNNXBMFYSA-N 0 3 321.465 3.592 20 30 DHEDHN C#CC[C@@H](NCc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1 ZINC000850225316 1021444459 /nfs/dbraw/zinc/44/44/59/1021444459.db2.gz BKLPDJUYLQHHJC-NHCUHLMSSA-N 0 3 321.420 3.709 20 30 DHEDHN N#C[C@@H]1CC[C@@H](NCc2cc3cc(Br)ccc3o2)C1 ZINC000850249453 1021454126 /nfs/dbraw/zinc/45/41/26/1021454126.db2.gz CJBRDURPJYMUMB-ZWNOBZJWSA-N 0 3 319.202 3.977 20 30 DHEDHN C=CCCNCc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000850354379 1021482636 /nfs/dbraw/zinc/48/26/36/1021482636.db2.gz FDEWPJPZKYYTNN-UHFFFAOYSA-N 0 3 307.800 3.698 20 30 DHEDHN N#Cc1ccc(CNCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000069671154 1021521101 /nfs/dbraw/zinc/52/11/01/1021521101.db2.gz RVZKZABEVUAVFY-UHFFFAOYSA-N 0 3 320.314 3.789 20 30 DHEDHN CC(C)C[C@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744437229 1021536650 /nfs/dbraw/zinc/53/66/50/1021536650.db2.gz LSWLNBTURMAJLX-QGZVFWFLSA-N 0 3 308.429 3.747 20 30 DHEDHN Cc1cccc2c1CN(Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000763505010 1021537828 /nfs/dbraw/zinc/53/78/28/1021537828.db2.gz LPWWQPRASMZPTH-INIZCTEOSA-N 0 3 306.409 3.844 20 30 DHEDHN C=C(Cl)CN[C@@H](C)c1cc(Br)cc(C)c1O ZINC000309545087 1021570565 /nfs/dbraw/zinc/57/05/65/1021570565.db2.gz GUCIZXGDMOTRQR-VIFPVBQESA-N 0 3 304.615 3.866 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850530080 1021582809 /nfs/dbraw/zinc/58/28/09/1021582809.db2.gz WXYLYUNJENPRGN-KPOBHBOGSA-N 0 3 307.393 3.528 20 30 DHEDHN Cc1cc(C#N)ccc1COC(=O)C(C)(C)N(C)C1CCCC1 ZINC000777063038 1033006526 /nfs/dbraw/zinc/00/65/26/1033006526.db2.gz OGWJJDBLLKZZPL-UHFFFAOYSA-N 0 3 314.429 3.563 20 30 DHEDHN N#Cc1ccc(CNCc2cc(-c3ccccc3)ccc2O)nc1 ZINC000780555578 1021757224 /nfs/dbraw/zinc/75/72/24/1021757224.db2.gz IISQGGVIRCGBLJ-UHFFFAOYSA-N 0 3 315.376 3.616 20 30 DHEDHN Cc1cc(C)cc([C@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000538206085 1033004123 /nfs/dbraw/zinc/00/41/23/1033004123.db2.gz CTFUTHWTZHCYKL-JKSUJKDBSA-N 0 3 321.424 3.853 20 30 DHEDHN COc1cc2c(cc1F)CC[C@@H]2N[C@H]1CCc2cc(C#N)ccc21 ZINC000619611439 1021806068 /nfs/dbraw/zinc/80/60/68/1021806068.db2.gz WDSNOFLQPLQBOQ-OALUTQOASA-N 0 3 322.383 3.970 20 30 DHEDHN CC(C)(C)OC(=O)[C@H]1CCCCN1CC1CCC(C#N)CC1 ZINC000930103521 1021947956 /nfs/dbraw/zinc/94/79/56/1021947956.db2.gz ZUDOTEBLWWKIRD-UYSNPLJNSA-N 0 3 306.450 3.513 20 30 DHEDHN C[C@H](C1CC1)N(Cc1ncc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000159079623 1022101443 /nfs/dbraw/zinc/10/14/43/1022101443.db2.gz RQQVTTFUPOOOJI-CYBMUJFWSA-N 0 3 307.397 3.976 20 30 DHEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183368582 1022124991 /nfs/dbraw/zinc/12/49/91/1022124991.db2.gz UCDHSGIGLSSGLA-KUHUBIRLSA-N 0 3 310.372 3.912 20 30 DHEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000538367455 1033042696 /nfs/dbraw/zinc/04/26/96/1033042696.db2.gz JDRPIQMLFZODPR-HNNXBMFYSA-N 0 3 323.506 3.566 20 30 DHEDHN CCN(Cc1cccc2nccn21)[C@@H](C)c1ccc(C#N)cc1 ZINC000179722546 1022513497 /nfs/dbraw/zinc/51/34/97/1022513497.db2.gz VWEIKCZADZCTNE-HNNXBMFYSA-N 0 3 304.397 3.789 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCc1ccccc1 ZINC000122985104 1022574138 /nfs/dbraw/zinc/57/41/38/1022574138.db2.gz NCKXUEJPGQJAKK-INIZCTEOSA-N 0 3 317.392 3.772 20 30 DHEDHN CC1CC(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1 ZINC001169901807 1022583367 /nfs/dbraw/zinc/58/33/67/1022583367.db2.gz ZWJFLNYGDXWYTL-JTTJXQCZSA-N 0 3 317.864 3.568 20 30 DHEDHN COc1ccc([C@H]2CCN(CC#Cc3ccc(F)cc3)C2)cc1 ZINC000157907976 1022585997 /nfs/dbraw/zinc/58/59/97/1022585997.db2.gz DEBRYPFCZLSUGG-SFHVURJKSA-N 0 3 309.384 3.675 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2cccc(OCC)c2)cc1 ZINC000113330650 1022635536 /nfs/dbraw/zinc/63/55/36/1022635536.db2.gz GYFQUYJBLJQUMX-MRXNPFEDSA-N 0 3 309.409 3.948 20 30 DHEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1ccc(CCCC)cc1 ZINC000180737291 1022797648 /nfs/dbraw/zinc/79/76/48/1022797648.db2.gz HJHRTPXXNMFMIV-SFHVURJKSA-N 0 3 324.424 3.870 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/C2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000162450672 1022811603 /nfs/dbraw/zinc/81/16/03/1022811603.db2.gz ZDAWFNNGGBTFLD-LBSRZVMUSA-N 0 3 304.434 3.613 20 30 DHEDHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000180822129 1022842026 /nfs/dbraw/zinc/84/20/26/1022842026.db2.gz NMQTXOZVCJSEPQ-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN N#Cc1ccc(Br)c(CN2CCC[C@H]2C2CC2)c1 ZINC000617196439 1022886731 /nfs/dbraw/zinc/88/67/31/1022886731.db2.gz JNBIZOQOFFGIDD-HNNXBMFYSA-N 0 3 305.219 3.695 20 30 DHEDHN C#CCCOc1ccc(CN(CCOC)Cc2ccccc2)cc1 ZINC000768161321 1022907265 /nfs/dbraw/zinc/90/72/65/1022907265.db2.gz XWLLBFPDAZTMIL-UHFFFAOYSA-N 0 3 323.436 3.737 20 30 DHEDHN N#CC1(CNC2CCN(Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000418138159 1022968548 /nfs/dbraw/zinc/96/85/48/1022968548.db2.gz GBWHJOZWYBOKAZ-UHFFFAOYSA-N 0 3 317.864 3.588 20 30 DHEDHN C=CCc1cc(CN[C@@H](C)c2ccncc2)cc(OC)c1OC ZINC000743475036 1022984291 /nfs/dbraw/zinc/98/42/91/1022984291.db2.gz XEJJYYAKQFTBFP-AWEZNQCLSA-N 0 3 312.413 3.678 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000876595064 1033100321 /nfs/dbraw/zinc/10/03/21/1033100321.db2.gz ZMMDHQAUNYUHMQ-AWEZNQCLSA-N 0 3 315.244 3.547 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)cc1 ZINC000123670796 1023060416 /nfs/dbraw/zinc/06/04/16/1023060416.db2.gz NWHJYVVMDVULFR-CXAGYDPISA-N 0 3 324.380 3.683 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000876608149 1033104074 /nfs/dbraw/zinc/10/40/74/1033104074.db2.gz ZUROUMARNUQERP-HOTGVXAUSA-N 0 3 306.837 3.504 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000876599351 1033104553 /nfs/dbraw/zinc/10/45/53/1033104553.db2.gz YKTSFXSFPKWVPV-DLBZAZTESA-N 0 3 318.848 3.525 20 30 DHEDHN C#CCOc1ccccc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000769316343 1023121306 /nfs/dbraw/zinc/12/13/06/1023121306.db2.gz OCNCJYJYGCNJBM-NRFANRHFSA-N 0 3 321.420 3.662 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000876621570 1033109336 /nfs/dbraw/zinc/10/93/36/1033109336.db2.gz BWGGBJRYQXGXPQ-LLVKDONJSA-N 0 3 323.849 3.828 20 30 DHEDHN C=CC[C@H](CO)CN[C@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000925692703 1023176395 /nfs/dbraw/zinc/17/63/95/1023176395.db2.gz AFEDSGVTCYPLRD-FXAWDEMLSA-N 0 3 310.441 3.562 20 30 DHEDHN N#Cc1cccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000876722589 1033127896 /nfs/dbraw/zinc/12/78/96/1033127896.db2.gz ZIEZMRHNQURLAS-UHFFFAOYSA-N 0 3 307.397 3.604 20 30 DHEDHN N#Cc1cccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)n1 ZINC000876722589 1033127906 /nfs/dbraw/zinc/12/79/06/1033127906.db2.gz ZIEZMRHNQURLAS-UHFFFAOYSA-N 0 3 307.397 3.604 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\CCCc2ccccn2)c([O-])c1 ZINC000771837182 1023472800 /nfs/dbraw/zinc/47/28/00/1023472800.db2.gz UVMUQTXDWOEETO-HKWRFOASSA-N 0 3 311.429 3.685 20 30 DHEDHN CCCCCCC[C@H](CC)N1CC(N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001172360053 1033139110 /nfs/dbraw/zinc/13/91/10/1033139110.db2.gz IHRKKESMIDLLKO-KURKYZTESA-N 0 3 310.526 3.919 20 30 DHEDHN COc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)CCS2 ZINC000786572508 1023709354 /nfs/dbraw/zinc/70/93/54/1023709354.db2.gz WDMPQROGMBVEKZ-QGZVFWFLSA-N 0 3 310.422 3.894 20 30 DHEDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cc1)CCS2 ZINC000786572506 1023709912 /nfs/dbraw/zinc/70/99/12/1023709912.db2.gz WDMPQROGMBVEKZ-KRWDZBQOSA-N 0 3 310.422 3.894 20 30 DHEDHN C=C(Cl)CN[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788259153 1023865915 /nfs/dbraw/zinc/86/59/15/1023865915.db2.gz VAYNZIYJJAZHHP-QWHCGFSZSA-N 0 3 302.846 3.555 20 30 DHEDHN COc1ccc(CNCc2ccc3c(c2)CC(C)(C)O3)cc1C#N ZINC000746740728 1023867985 /nfs/dbraw/zinc/86/79/85/1023867985.db2.gz HHTFQSHTCLAHST-UHFFFAOYSA-N 0 3 322.408 3.570 20 30 DHEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000788537954 1023901722 /nfs/dbraw/zinc/90/17/22/1023901722.db2.gz LFZCDGHNVXMEPA-MOPGFXCFSA-N 0 3 312.388 3.545 20 30 DHEDHN CCCCCCCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000788646793 1023914449 /nfs/dbraw/zinc/91/44/49/1023914449.db2.gz CXLJNISQONDAFI-QGZVFWFLSA-N 0 3 304.413 3.983 20 30 DHEDHN N#CCOc1ccc(CN(CCC(F)(F)F)CC2CC2)cc1 ZINC000267643977 1024058695 /nfs/dbraw/zinc/05/86/95/1024058695.db2.gz AHIMWCASMLMWRW-UHFFFAOYSA-N 0 3 312.335 3.753 20 30 DHEDHN C#CCn1ccc(CN(CC)C[C@H](C)CCc2ccccc2)n1 ZINC000789761980 1024158919 /nfs/dbraw/zinc/15/89/19/1024158919.db2.gz OBNKMROCIPBNIC-GOSISDBHSA-N 0 3 309.457 3.607 20 30 DHEDHN C=CCC[C@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccco1 ZINC000789744643 1024163191 /nfs/dbraw/zinc/16/31/91/1024163191.db2.gz XRQZBVMBIIBONV-CVEARBPZSA-N 0 3 305.418 3.952 20 30 DHEDHN C[C@H](NCCSCc1ccccc1C#N)c1cncs1 ZINC000268818459 1024169726 /nfs/dbraw/zinc/16/97/26/1024169726.db2.gz QZFNTBSKCSPBSN-LBPRGKRZSA-N 0 3 303.456 3.599 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)c1cccc(C#N)c1 ZINC000268987655 1024212586 /nfs/dbraw/zinc/21/25/86/1024212586.db2.gz QKPZSMBTMPQOEN-VVYDWRJNSA-N 0 3 312.438 3.707 20 30 DHEDHN C=CCCC[C@H](NCC1(S(=O)(=O)CC)CC1)c1ccccc1 ZINC000883237152 1024311359 /nfs/dbraw/zinc/31/13/59/1024311359.db2.gz TYTDVLANIJUPMW-KRWDZBQOSA-N 0 3 321.486 3.641 20 30 DHEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453346503 1024473496 /nfs/dbraw/zinc/47/34/96/1024473496.db2.gz IGHYXQDZLVJUAQ-HZPDHXFCSA-N 0 3 312.413 3.852 20 30 DHEDHN CC(C)(CO)[C@@H](NCc1cc(C#N)cs1)c1cccs1 ZINC000453580341 1024543448 /nfs/dbraw/zinc/54/34/48/1024543448.db2.gz TXDSBYUJVVVPCB-AWEZNQCLSA-N 0 3 306.456 3.531 20 30 DHEDHN N#Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCCC2)cc1 ZINC000453621060 1024555094 /nfs/dbraw/zinc/55/50/94/1024555094.db2.gz SUVGYTGRSNKDRF-HXUWFJFHSA-N 0 3 320.436 3.942 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000274261987 1024566305 /nfs/dbraw/zinc/56/63/05/1024566305.db2.gz CHBMIJXONSLFMR-VDZJLULYSA-N 0 3 312.457 3.732 20 30 DHEDHN COc1cccc(-c2nc(CN[C@H](C)CCCC#N)cs2)c1 ZINC001172492162 1033223397 /nfs/dbraw/zinc/22/33/97/1033223397.db2.gz QRUKDDBJJKIBCW-CYBMUJFWSA-N 0 3 315.442 3.991 20 30 DHEDHN N#CC(C(=O)CC[C@H]1CCCCO1)c1nccc2ccccc21 ZINC000792106492 1024625390 /nfs/dbraw/zinc/62/53/90/1024625390.db2.gz RMYKVABLMPMKGV-NVXWUHKLSA-N 0 3 308.381 3.760 20 30 DHEDHN CN(C)C[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000282880624 1024664422 /nfs/dbraw/zinc/66/44/22/1024664422.db2.gz RVFBAJIUAQXTPY-SFHVURJKSA-N 0 3 313.832 3.604 20 30 DHEDHN C=CCc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(OC)c1O ZINC000264983987 1033223791 /nfs/dbraw/zinc/22/37/91/1033223791.db2.gz VIISFAPBKGAQEO-AWEZNQCLSA-N 0 3 322.408 3.852 20 30 DHEDHN C=CC(=NCOC)N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)cc1 ZINC001170250734 1024724207 /nfs/dbraw/zinc/72/42/07/1024724207.db2.gz JIAYZFNVGQQSGX-MOPGFXCFSA-N 0 3 322.408 3.693 20 30 DHEDHN C#CCSCCN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000318468952 1024742722 /nfs/dbraw/zinc/74/27/22/1024742722.db2.gz JHVLYGZPVAWHNK-IBGZPJMESA-N 0 3 311.450 3.741 20 30 DHEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931916840 1024864297 /nfs/dbraw/zinc/86/42/97/1024864297.db2.gz WSRIKQDJMAWALO-SMDDNHRTSA-N 0 3 312.310 3.986 20 30 DHEDHN CCOc1cccc(/C=N/C[C@H](c2ccccc2)N(C)C)c1O ZINC000005288921 1025030200 /nfs/dbraw/zinc/03/02/00/1025030200.db2.gz OSSWONJGRQTGOK-UOBPLZBXSA-N 0 3 312.413 3.513 20 30 DHEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(Br)ccc1F ZINC000320211370 1025098022 /nfs/dbraw/zinc/09/80/22/1025098022.db2.gz FIUTYHLIIFTLCF-CMPLNLGQSA-N 0 3 316.214 3.566 20 30 DHEDHN N#CCCC[C@@H](NCc1cccc2c1OCCO2)c1ccccc1 ZINC000353899584 1025284817 /nfs/dbraw/zinc/28/48/17/1025284817.db2.gz LXRCRZCLVASCLJ-GOSISDBHSA-N 0 3 322.408 3.983 20 30 DHEDHN Cn1cc(CN[C@H](CCCC#N)c2ccccc2)c(C(F)F)n1 ZINC000353915890 1025291935 /nfs/dbraw/zinc/29/19/35/1025291935.db2.gz NYXXNTRKPOMTKM-OAHLLOKOSA-N 0 3 318.371 3.882 20 30 DHEDHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C[C@@H](O)CC1(C#N)CCC1 ZINC001168234050 1025359136 /nfs/dbraw/zinc/35/91/36/1025359136.db2.gz JSUFHLDJUONOJJ-CPUCHLNUSA-N 0 3 316.420 3.578 20 30 DHEDHN CC[C@@H]1c2ccsc2CCN1C[C@H](O)CC1(C#N)CCC1 ZINC000885956459 1025419347 /nfs/dbraw/zinc/41/93/47/1025419347.db2.gz QCAKXFQNPCVODU-UKRRQHHQSA-N 0 3 304.459 3.502 20 30 DHEDHN N#CC1(C[C@H](O)CN2CCCC[C@H]2c2ccc(F)cc2)CCC1 ZINC000886033535 1025444755 /nfs/dbraw/zinc/44/47/55/1025444755.db2.gz WOXKOIRBJMTXBF-ROUUACIJSA-N 0 3 316.420 3.798 20 30 DHEDHN C[C@@H]1CCCCN(Cc2ccc(C#N)cc2Br)C1 ZINC001137632888 1025448887 /nfs/dbraw/zinc/44/88/87/1025448887.db2.gz OCIKZGUFOGMRMK-GFCCVEGCSA-N 0 3 307.235 3.943 20 30 DHEDHN C=CCN(CCCCn1ccnc1C)Cc1ccccc1F ZINC000125480974 1025477387 /nfs/dbraw/zinc/47/73/87/1025477387.db2.gz AQPSFQSWVOIJDU-UHFFFAOYSA-N 0 3 301.409 3.799 20 30 DHEDHN CC[C@H](C)N[C@H](CNc1snc(Cl)c1C#N)c1ccco1 ZINC000804780874 1025480283 /nfs/dbraw/zinc/48/02/83/1025480283.db2.gz FEEAHLHITVUVAK-GXSJLCMTSA-N 0 3 324.837 3.802 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@@H]3CC[C@@H](C4CC4)O3)CC2)cc1 ZINC000886100278 1025504832 /nfs/dbraw/zinc/50/48/32/1025504832.db2.gz JWRJKUMUTAWGPZ-PMACEKPBSA-N 0 3 308.425 3.605 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@@H]3CC[C@H](C4CC4)O3)CC2)cc1 ZINC000886100280 1025506701 /nfs/dbraw/zinc/50/67/01/1025506701.db2.gz JWRJKUMUTAWGPZ-VQTJNVASSA-N 0 3 308.425 3.605 20 30 DHEDHN C#CC[C@H]1CCN([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000886355855 1025601899 /nfs/dbraw/zinc/60/18/99/1025601899.db2.gz OTKFJXDKIHVLLI-KGLIPLIRSA-N 0 3 313.376 3.590 20 30 DHEDHN C=C(C)COc1cc(CN2CCC[C@](C)(OC)C2)ccc1OC ZINC000355226017 1025647287 /nfs/dbraw/zinc/64/72/87/1025647287.db2.gz UBLDPSBAMZKYRS-IBGZPJMESA-N 0 3 319.445 3.651 20 30 DHEDHN CSc1ccc(CN[C@H](C)c2cccc(CO)c2)cc1C#N ZINC000886687959 1025785308 /nfs/dbraw/zinc/78/53/08/1025785308.db2.gz IBSUQWNBIPPVAK-CYBMUJFWSA-N 0 3 312.438 3.623 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2CCc3ccccc3[C@H]2CO)cc1 ZINC000614175975 1025809961 /nfs/dbraw/zinc/80/99/61/1025809961.db2.gz YUCNHILHTFMNEK-HXUWFJFHSA-N 0 3 320.436 3.579 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2CCc3ccccc3[C@@H]2CO)cc1 ZINC000614175974 1025811181 /nfs/dbraw/zinc/81/11/81/1025811181.db2.gz YUCNHILHTFMNEK-FQEVSTJZSA-N 0 3 320.436 3.579 20 30 DHEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCCc2c1cnn2C ZINC000135605811 1025847791 /nfs/dbraw/zinc/84/77/91/1025847791.db2.gz DHDNUYKVVYZXTD-GOSISDBHSA-N 0 3 322.456 3.731 20 30 DHEDHN C=CCSCCNCc1cc(Cl)ccc1OC(F)F ZINC000222057901 1025921170 /nfs/dbraw/zinc/92/11/70/1025921170.db2.gz QIWHMZSFIGMPOT-UHFFFAOYSA-N 0 3 307.793 3.950 20 30 DHEDHN C[C@@H](CCC#N)N(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000411617256 1026079927 /nfs/dbraw/zinc/07/99/27/1026079927.db2.gz LBOCYUGRXCQQOV-LBPRGKRZSA-N 0 3 300.324 3.708 20 30 DHEDHN C#CCC1(NCc2cc(Cl)cc(Cl)c2F)CCOCC1 ZINC000887120536 1026097048 /nfs/dbraw/zinc/09/70/48/1026097048.db2.gz IQHULUSMBMKHOH-UHFFFAOYSA-N 0 3 316.203 3.795 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2CC(C)(C)C)CC1 ZINC000106340955 1026219384 /nfs/dbraw/zinc/21/93/84/1026219384.db2.gz AHJPWALSGDECLA-KRWDZBQOSA-N 0 3 321.509 3.637 20 30 DHEDHN CCN(CC(=O)N(CCC#N)c1ccc(C)c(C)c1)CC(C)C ZINC000747523940 1026355733 /nfs/dbraw/zinc/35/57/33/1026355733.db2.gz BMJCYZAZCCUQMB-UHFFFAOYSA-N 0 3 315.461 3.528 20 30 DHEDHN Cc1ccc(N(CCC#N)C(=O)CN(C)[C@H](C)C(C)C)cc1C ZINC000747530458 1026411266 /nfs/dbraw/zinc/41/12/66/1026411266.db2.gz LMICWTDCOWWFEV-QGZVFWFLSA-N 0 3 315.461 3.526 20 30 DHEDHN N#CCc1ccc(CN2CCCN(c3ccccc3F)CC2)cc1 ZINC000513398553 1026495660 /nfs/dbraw/zinc/49/56/60/1026495660.db2.gz UYCUKMFSRFHARU-UHFFFAOYSA-N 0 3 323.415 3.604 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000809606266 1026560744 /nfs/dbraw/zinc/56/07/44/1026560744.db2.gz XMMBDAFOBTXTTL-OAQYLSRUSA-N 0 3 321.420 3.516 20 30 DHEDHN C#Cc1ccc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000809609311 1026562514 /nfs/dbraw/zinc/56/25/14/1026562514.db2.gz GZEZQCCMCLHWQY-INIZCTEOSA-N 0 3 318.420 3.646 20 30 DHEDHN C#Cc1ccc(CNc2cccc(CN3CCSCC3)c2)cc1 ZINC000809600100 1026571564 /nfs/dbraw/zinc/57/15/64/1026571564.db2.gz PUFIYNIMAMYJMA-UHFFFAOYSA-N 0 3 322.477 3.829 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(C(=O)OC(C)(C)C)c2)cc1 ZINC000809632498 1026578375 /nfs/dbraw/zinc/57/83/75/1026578375.db2.gz RWAMMTMOCPQCDN-UHFFFAOYSA-N 0 3 321.420 3.913 20 30 DHEDHN C#C[C@H](CC)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000809686223 1026592748 /nfs/dbraw/zinc/59/27/48/1026592748.db2.gz BFHXDFBHAQACPJ-LJQANCHMSA-N 0 3 304.393 3.639 20 30 DHEDHN C#C[C@@H](CC)NCc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000809686295 1026592893 /nfs/dbraw/zinc/59/28/93/1026592893.db2.gz IHALYZRJRJHEDQ-SFHVURJKSA-N 0 3 308.425 3.779 20 30 DHEDHN C#C[C@H](CC)NCc1ccc(OC)c(OCc2ccccc2)c1 ZINC000809685783 1026593162 /nfs/dbraw/zinc/59/31/62/1026593162.db2.gz QODNHDGJZSCFPJ-GOSISDBHSA-N 0 3 309.409 3.776 20 30 DHEDHN C=CCOc1ccc(CNCc2cc(C)nc(Cl)c2)cc1 ZINC000809688907 1026595400 /nfs/dbraw/zinc/59/54/00/1026595400.db2.gz GSUPYFZZNAAOLK-UHFFFAOYSA-N 0 3 302.805 3.898 20 30 DHEDHN C#C[C@@H](NCc1c(C)nn(Cc2ccccc2)c1C)C(C)(C)C ZINC000809781974 1026623514 /nfs/dbraw/zinc/62/35/14/1026623514.db2.gz FSLHOKVUSAZSEG-LJQANCHMSA-N 0 3 309.457 3.686 20 30 DHEDHN C#C[C@@H](NCc1cc(OC)c(OC)cc1SC)C(C)(C)C ZINC000809783260 1026623981 /nfs/dbraw/zinc/62/39/81/1026623981.db2.gz WPKRNWQYPLLSPG-MRXNPFEDSA-N 0 3 307.459 3.563 20 30 DHEDHN C#C[C@H](NCc1cccc(OCc2ccccn2)c1)C(C)(C)C ZINC000809782344 1026624437 /nfs/dbraw/zinc/62/44/37/1026624437.db2.gz PSNBRERJCQLQCM-IBGZPJMESA-N 0 3 308.425 3.798 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000810147036 1026693904 /nfs/dbraw/zinc/69/39/04/1026693904.db2.gz ZGKJWZWHGLEGHB-HUUCEWRRSA-N 0 3 301.390 3.580 20 30 DHEDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1 ZINC000810251678 1026728642 /nfs/dbraw/zinc/72/86/42/1026728642.db2.gz VASNWQDRPACBRV-OAHLLOKOSA-N 0 3 323.440 3.874 20 30 DHEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2cccc(F)c2)s1 ZINC000419832518 1026767663 /nfs/dbraw/zinc/76/76/63/1026767663.db2.gz JXNSXGOWQQCURI-LBPRGKRZSA-N 0 3 317.389 3.826 20 30 DHEDHN C#C[C@@H](NCCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC000811516542 1027018939 /nfs/dbraw/zinc/01/89/39/1027018939.db2.gz OYUAOELOPWBTOM-OAHLLOKOSA-N 0 3 322.836 3.519 20 30 DHEDHN CC(=NNC[C@H]1CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000811660510 1027054214 /nfs/dbraw/zinc/05/42/14/1027054214.db2.gz OLWCUOZCPOQTSP-MRXNPFEDSA-N 0 3 317.502 3.744 20 30 DHEDHN COc1ccc(C(C)=NOC/C=C/Cl)cc1CN1CCCC1 ZINC000811669081 1027058699 /nfs/dbraw/zinc/05/86/99/1027058699.db2.gz BNVBETFZXMDKRC-WQLLGHIXSA-N 0 3 322.836 3.784 20 30 DHEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1(SC)CCC1 ZINC000572084775 1027169743 /nfs/dbraw/zinc/16/97/43/1027169743.db2.gz BZZMBLXMZYRKBQ-UHFFFAOYSA-N 0 3 306.431 3.869 20 30 DHEDHN COc1ccc(C(C)=NOC2CCC2)cc1CN1CCCC1 ZINC000812235357 1027218240 /nfs/dbraw/zinc/21/82/40/1027218240.db2.gz DLGFVFRNSHTJON-UHFFFAOYSA-N 0 3 302.418 3.584 20 30 DHEDHN N#CCc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000572841498 1027235493 /nfs/dbraw/zinc/23/54/93/1027235493.db2.gz XUACIVIIBNRNPR-LJQANCHMSA-N 0 3 321.380 3.828 20 30 DHEDHN Cc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)N)ccc1CC#N ZINC001170683129 1027365695 /nfs/dbraw/zinc/36/56/95/1027365695.db2.gz WATYRJKMHZGMFQ-HNNXBMFYSA-N 0 3 316.408 3.934 20 30 DHEDHN C=CCN1CCC(NC(=O)c2c(C)ccc3cc(C)ccc32)CC1 ZINC000932140884 1027381444 /nfs/dbraw/zinc/38/14/44/1027381444.db2.gz LUTOLXGKKHXSKL-UHFFFAOYSA-N 0 3 322.452 3.837 20 30 DHEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCC#N)cc1 ZINC000813060272 1027508429 /nfs/dbraw/zinc/50/84/29/1027508429.db2.gz UCKOZBFOZPKKOS-CJNGLKHVSA-N 0 3 311.385 3.541 20 30 DHEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1C1CC1 ZINC000562594583 1027517700 /nfs/dbraw/zinc/51/77/00/1027517700.db2.gz UGRCLCPAXZSTCM-AWEZNQCLSA-N 0 3 312.394 3.828 20 30 DHEDHN Cc1c([C@H]2CCCN2Cc2ccccc2C(C)(C)C#N)cnn1C ZINC000363152414 1027536385 /nfs/dbraw/zinc/53/63/85/1027536385.db2.gz VWYJABPHNRDMHL-LJQANCHMSA-N 0 3 322.456 3.867 20 30 DHEDHN C=CCC[C@H](NCCOc1ccccc1OC)c1ccco1 ZINC000576059098 1027552915 /nfs/dbraw/zinc/55/29/15/1027552915.db2.gz GOSLRNRUNBTHAD-HNNXBMFYSA-N 0 3 301.386 3.964 20 30 DHEDHN N#C[C@H]1CC[C@H](N2CCC(c3nc4c(s3)CCC4)CC2)C1 ZINC000932619466 1027568264 /nfs/dbraw/zinc/56/82/64/1027568264.db2.gz MNFXYEATHDELGC-JSGCOSHPSA-N 0 3 301.459 3.503 20 30 DHEDHN CC[C@H](NCc1cnc(OC)c(Cl)c1)c1ccc(C#N)cc1 ZINC000296415539 1027630591 /nfs/dbraw/zinc/63/05/91/1027630591.db2.gz LCHOUXREZNNMAF-INIZCTEOSA-N 0 3 315.804 3.856 20 30 DHEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(C)cc2Cl)CCC1 ZINC000933301480 1027712141 /nfs/dbraw/zinc/71/21/41/1027712141.db2.gz RAYDMGRSJMGKSX-CYBMUJFWSA-N 0 3 304.821 3.511 20 30 DHEDHN N#Cc1ccc(CN[C@H](C[C@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000813854929 1027731226 /nfs/dbraw/zinc/73/12/26/1027731226.db2.gz IDUUNNQTCOOXJA-YLJYHZDGSA-N 0 3 324.399 3.955 20 30 DHEDHN C=CCN(CCc1ccco1)C[C@H](O)c1ccc(Cl)cc1 ZINC000778995934 1027746029 /nfs/dbraw/zinc/74/60/29/1027746029.db2.gz GGEDESDZNQCSTE-KRWDZBQOSA-N 0 3 305.805 3.697 20 30 DHEDHN C#CCOc1cccc(Cl)c1CNCCCCOC(C)C ZINC000778176520 1027767415 /nfs/dbraw/zinc/76/74/15/1027767415.db2.gz HHUCYWLVKBZOPF-UHFFFAOYSA-N 0 3 309.837 3.647 20 30 DHEDHN N#Cc1ccc(C2CCN(Cc3cc(CO)ccc3F)CC2)cc1 ZINC000933606549 1027772658 /nfs/dbraw/zinc/77/26/58/1027772658.db2.gz KAJQPUXTXOHLAH-UHFFFAOYSA-N 0 3 324.399 3.569 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)Cc1cc(OC)c(C)cc1O ZINC000159992115 1028372241 /nfs/dbraw/zinc/37/22/41/1028372241.db2.gz XSTNJKVGOQGPGG-UHFFFAOYSA-N 0 3 322.408 3.769 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@](C)(COC)C2)cc1Cl ZINC000449391384 1028608398 /nfs/dbraw/zinc/60/83/98/1028608398.db2.gz IEIBMBWIHFSQPI-KRWDZBQOSA-N 0 3 309.837 3.763 20 30 DHEDHN CN1CC[C@H](NCC#Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000566038257 1028669511 /nfs/dbraw/zinc/66/95/11/1028669511.db2.gz LMQKXTJEXOCTRB-VQTJNVASSA-N 0 3 324.855 3.727 20 30 DHEDHN Cc1ccc(C)c(CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000076607614 1028676581 /nfs/dbraw/zinc/67/65/81/1028676581.db2.gz DZCFTHOVVYAGEY-HNNXBMFYSA-N 0 3 304.349 3.864 20 30 DHEDHN COc1cncc(/C=C\CCN(CCC#N)CC(C)(C)C)c1 ZINC000566156204 1028682474 /nfs/dbraw/zinc/68/24/74/1028682474.db2.gz RNPJYLUAEYFITE-YVMONPNESA-N 0 3 301.434 3.755 20 30 DHEDHN Cc1cnc(CCN2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000566171057 1028685212 /nfs/dbraw/zinc/68/52/12/1028685212.db2.gz ZASAXFTZQNSWEB-UHFFFAOYSA-N 0 3 317.436 3.902 20 30 DHEDHN N#CC(C(=O)CCCc1cccs1)c1nc2ccccc2[nH]1 ZINC000041497727 1028735169 /nfs/dbraw/zinc/73/51/69/1028735169.db2.gz ALJDIERTSVSKPW-ZDUSSCGKSA-N 0 3 309.394 3.824 20 30 DHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccc(F)c1 ZINC000076842959 1028742419 /nfs/dbraw/zinc/74/24/19/1028742419.db2.gz WJVNMTXIXCTFKX-SMDDNHRTSA-N 0 3 308.312 3.947 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C(F)(F)F)ccc1Cl ZINC000449517113 1028743840 /nfs/dbraw/zinc/74/38/40/1028743840.db2.gz DTQCJYJWHBDABV-OLZOCXBDSA-N 0 3 305.727 3.792 20 30 DHEDHN COc1cccc(CCC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000041542575 1028745997 /nfs/dbraw/zinc/74/59/97/1028745997.db2.gz OCMRNDQBBJUMCK-OAHLLOKOSA-N 0 3 320.348 3.645 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(Cl)ccc2cccnc21 ZINC000449549045 1028781702 /nfs/dbraw/zinc/78/17/02/1028781702.db2.gz UAPHRCIRAIOPDW-CVEARBPZSA-N 0 3 302.805 3.711 20 30 DHEDHN N#Cc1csc(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000567034054 1028820621 /nfs/dbraw/zinc/82/06/21/1028820621.db2.gz ODNIAJSQSUKMNC-WBVHZDCISA-N 0 3 311.454 3.906 20 30 DHEDHN N#CC(C(=O)CC1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 ZINC000528906466 1028916228 /nfs/dbraw/zinc/91/62/28/1028916228.db2.gz CNCKUHMPTYESFJ-HNNXBMFYSA-N 0 3 315.376 3.861 20 30 DHEDHN CC[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(C#N)cc1 ZINC000373058856 1028942754 /nfs/dbraw/zinc/94/27/54/1028942754.db2.gz SOQSIXCIGHIVSI-VQTJNVASSA-N 0 3 305.425 3.786 20 30 DHEDHN CN(CCC1(C#N)CCCCC1)[C@@H](CCO)c1ccccc1 ZINC000411294619 1029089586 /nfs/dbraw/zinc/08/95/86/1029089586.db2.gz NGDACSJTQQANLP-SFHVURJKSA-N 0 3 300.446 3.906 20 30 DHEDHN CCCCCCN(C)CC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000778663321 1029122174 /nfs/dbraw/zinc/12/21/74/1029122174.db2.gz LASISXWERPNOJP-AWEZNQCLSA-N 0 3 321.490 3.955 20 30 DHEDHN CN(Cc1ccc(C#N)cc1F)C1CCN(c2ccccc2)CC1 ZINC000373925356 1029169744 /nfs/dbraw/zinc/16/97/44/1029169744.db2.gz YDOODSLDIDJFLL-UHFFFAOYSA-N 0 3 323.415 3.798 20 30 DHEDHN C#CCOc1ccc(CN2CCC3(CC(F)(F)C3)CC2)cc1 ZINC001138556307 1029204321 /nfs/dbraw/zinc/20/43/21/1029204321.db2.gz OLHZYIQIZRPIMY-UHFFFAOYSA-N 0 3 305.368 3.710 20 30 DHEDHN N#CC(C(=O)c1cccc(Cl)c1)c1cnc2ccccc2n1 ZINC000190912443 1029208934 /nfs/dbraw/zinc/20/89/34/1029208934.db2.gz KXJBHOLBTLGGRG-ZDUSSCGKSA-N 0 3 307.740 3.773 20 30 DHEDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1[O-] ZINC000818356892 1029383816 /nfs/dbraw/zinc/38/38/16/1029383816.db2.gz SGCMNMSFEPCYSS-GMXVVIOVSA-N 0 3 323.234 3.806 20 30 DHEDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1CCOc1ccc(C#N)cc1 ZINC000451418965 1029872580 /nfs/dbraw/zinc/87/25/80/1029872580.db2.gz NSEHWUPVRCFPTQ-TZMCWYRMSA-N 0 3 312.335 3.600 20 30 DHEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H]1Oc2ccccc2[C@@H]1C ZINC000533309098 1030267200 /nfs/dbraw/zinc/26/72/00/1030267200.db2.gz BADQSPNDWXPKEJ-JMERFSKESA-N 0 3 310.372 3.740 20 30 DHEDHN COc1ccc(OC(F)F)c(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000925259094 1030323782 /nfs/dbraw/zinc/32/37/82/1030323782.db2.gz SUXCCGWLMMEYNS-LLVKDONJSA-N 0 3 312.360 3.715 20 30 DHEDHN CC[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(OC)c1OC ZINC000866509454 1030333987 /nfs/dbraw/zinc/33/39/87/1030333987.db2.gz YQNBTIFFIFSZEJ-LZWOXQAQSA-N 0 3 302.418 3.827 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(CC)cc1)c1cccnc1 ZINC000925699871 1030457950 /nfs/dbraw/zinc/45/79/50/1030457950.db2.gz XXWBPPLTGDOFPE-PXNSSMCTSA-N 0 3 310.441 3.508 20 30 DHEDHN CCN1CCN(c2ccc(N[C@@H](C)CC(C)(C)C#N)cc2)CC1 ZINC000925730064 1030468134 /nfs/dbraw/zinc/46/81/34/1030468134.db2.gz NJHFFSYQUHRRMM-INIZCTEOSA-N 0 3 314.477 3.569 20 30 DHEDHN C#Cc1cccc(CNCc2ccc(OC(C)C)c(OC)c2)c1 ZINC000825225811 1030752590 /nfs/dbraw/zinc/75/25/90/1030752590.db2.gz AJVUONDHRYMXMS-UHFFFAOYSA-N 0 3 309.409 3.754 20 30 DHEDHN C#Cc1cccc(CNCc2ccccc2N2CCCCC2)c1 ZINC000825225791 1030753306 /nfs/dbraw/zinc/75/33/06/1030753306.db2.gz AEAZNQBAEFUBDC-UHFFFAOYSA-N 0 3 304.437 3.948 20 30 DHEDHN C#CCN(Cc1ccc2[nH]cnc2c1)[C@@H]1CCc2ccccc21 ZINC001137046617 1030832733 /nfs/dbraw/zinc/83/27/33/1030832733.db2.gz HJKCBKMXUQCDKD-HXUWFJFHSA-N 0 3 301.393 3.686 20 30 DHEDHN C#CCN(Cc1ccc2nc[nH]c2c1)[C@@H]1CCc2ccccc21 ZINC001137046617 1030832755 /nfs/dbraw/zinc/83/27/55/1030832755.db2.gz HJKCBKMXUQCDKD-HXUWFJFHSA-N 0 3 301.393 3.686 20 30 DHEDHN C=CCC[C@H](NCc1nc2c(s1)CCCC2)[C@@H]1CCCO1 ZINC000926921110 1030998402 /nfs/dbraw/zinc/99/84/02/1030998402.db2.gz YZISLWZWUWZFAI-ZFWWWQNUSA-N 0 3 306.475 3.625 20 30 DHEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc(C(C)C)cc2)C1=O ZINC001275656323 1031012093 /nfs/dbraw/zinc/01/20/93/1031012093.db2.gz YSGRTWWPSYYZJL-FQEVSTJZSA-N 0 3 312.457 3.563 20 30 DHEDHN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(C)c(C#N)c1 ZINC000926966037 1031017584 /nfs/dbraw/zinc/01/75/84/1031017584.db2.gz VFBCSTIUKUWALN-KRWDZBQOSA-N 0 3 310.372 3.792 20 30 DHEDHN Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1C#N ZINC000926967186 1031019113 /nfs/dbraw/zinc/01/91/13/1031019113.db2.gz QAIKRQAMCOGUSX-AWEZNQCLSA-N 0 3 309.369 3.934 20 30 DHEDHN N#Cc1cncc(CN2CCC[C@@H](CCc3ccccc3)C2)c1 ZINC001144086371 1031220658 /nfs/dbraw/zinc/22/06/58/1031220658.db2.gz PQFQACZPWHRBBJ-SFHVURJKSA-N 0 3 305.425 3.798 20 30 DHEDHN N#Cc1cncc(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC001144083729 1031236063 /nfs/dbraw/zinc/23/60/63/1031236063.db2.gz QTGVRBPXDILBQY-INIZCTEOSA-N 0 3 309.388 3.547 20 30 DHEDHN Cc1c(O)cccc1CN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001144116805 1031254761 /nfs/dbraw/zinc/25/47/61/1031254761.db2.gz CJFNFTCANVLPNU-LJQANCHMSA-N 0 3 322.408 3.616 20 30 DHEDHN CC[C@H](NCc1ccc(CC#N)cc1)C(=O)Nc1ccc(C)cc1 ZINC000871888026 1031376115 /nfs/dbraw/zinc/37/61/15/1031376115.db2.gz KRWJEJNZZFYAHN-IBGZPJMESA-N 0 3 321.424 3.568 20 30 DHEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000872131756 1031526238 /nfs/dbraw/zinc/52/62/38/1031526238.db2.gz ANLZUOXAYRNFPL-ZNZDAUKMSA-N 0 3 312.388 3.860 20 30 DHEDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2C#N)C1)c1ccccc1[O-] ZINC000360711036 1031530255 /nfs/dbraw/zinc/53/02/55/1031530255.db2.gz JCNMTPIGLLYGNE-WBVHZDCISA-N 0 3 321.424 3.583 20 30 DHEDHN N#CC1(CCCCN2CCC[C@@H](OCC(F)(F)F)C2)CCC1 ZINC000929679705 1031576643 /nfs/dbraw/zinc/57/66/43/1031576643.db2.gz PUDUUSOZPZJQNV-CQSZACIVSA-N 0 3 318.383 3.894 20 30 DHEDHN N=C(Nc1cccc2c1CCCO2)c1ccc2cc(O)ccc2c1 ZINC001171185045 1031592225 /nfs/dbraw/zinc/59/22/25/1031592225.db2.gz DLRWCHZCZAFVJN-UHFFFAOYSA-N 0 3 318.376 3.907 20 30 DHEDHN COc1ccc2ccc(O)c(CN(C)[C@H]3CCC[C@H]3C#N)c2c1 ZINC000872681057 1031642302 /nfs/dbraw/zinc/64/23/02/1031642302.db2.gz DOOCVCUJOUGNBD-KSSFIOAISA-N 0 3 310.397 3.678 20 30 DHEDHN N#Cc1cc(Cl)cc(CN[C@@H](CCCO)c2ccccc2)c1 ZINC000930226851 1031745507 /nfs/dbraw/zinc/74/55/07/1031745507.db2.gz NFZGETUNDLOXCR-SFHVURJKSA-N 0 3 314.816 3.815 20 30 DHEDHN CCN(CCCCC1(C#N)CCC1)CC(=O)N1CCCCCC1 ZINC000930470304 1031832313 /nfs/dbraw/zinc/83/23/13/1031832313.db2.gz GFAAJENONCKROG-UHFFFAOYSA-N 0 3 319.493 3.575 20 30 DHEDHN C#CCCOc1ccc(CN2CCC3(CC3(F)F)CC2)cc1 ZINC000846054873 1031845676 /nfs/dbraw/zinc/84/56/76/1031845676.db2.gz QSYWRAZHOHQOHP-UHFFFAOYSA-N 0 3 305.368 3.710 20 30 DHEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1CCC=CCC1 ZINC000873497829 1031847757 /nfs/dbraw/zinc/84/77/57/1031847757.db2.gz PMDRNUOPOBAINS-OAHLLOKOSA-N 0 3 316.788 3.734 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001171210940 1031858013 /nfs/dbraw/zinc/85/80/13/1031858013.db2.gz XTEZTQHAFLKTEL-DOMZBBRYSA-N 0 3 314.326 3.713 20 30 DHEDHN C[C@H](N[C@@H](C)[C@](C)(O)c1ccccc1)c1ccc(C#N)cc1F ZINC000846189694 1031925464 /nfs/dbraw/zinc/92/54/64/1031925464.db2.gz RMJOMMMGWLRBPT-NJSLBKSFSA-N 0 3 312.388 3.644 20 30 DHEDHN CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC(C)(C)C1 ZINC000361470900 1031936414 /nfs/dbraw/zinc/93/64/14/1031936414.db2.gz PSCHKPBSMLFNCO-HNNXBMFYSA-N 0 3 310.401 3.619 20 30 DHEDHN N#CC(C(=O)c1cccc2cnccc21)c1cnc2ccccc2n1 ZINC000361529642 1031973838 /nfs/dbraw/zinc/97/38/38/1031973838.db2.gz GCHHRNQTHJYDEL-INIZCTEOSA-N 0 3 324.343 3.668 20 30 DHEDHN CC(C)(C)[C@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000361543212 1031980362 /nfs/dbraw/zinc/98/03/62/1031980362.db2.gz LUCGCYFCIXNCGZ-INIZCTEOSA-N 0 3 324.428 3.866 20 30 DHEDHN N#CC1(c2ccc(CN[C@H](c3ccncc3)C3CC3)cc2)CC1 ZINC000898320863 1032020853 /nfs/dbraw/zinc/02/08/53/1032020853.db2.gz NRXYVYJCYHBRMZ-IBGZPJMESA-N 0 3 303.409 3.878 20 30 DHEDHN C=CCc1cc(CN[C@@H](c2ccncc2)C2CC2)cc(OC)c1O ZINC000898324440 1032022046 /nfs/dbraw/zinc/02/20/46/1032022046.db2.gz HSETZROVGOAANC-LJQANCHMSA-N 0 3 324.424 3.765 20 30 DHEDHN Cc1csc(C(C#N)C(=O)c2ccc(OCC(C)C)cc2)n1 ZINC000338189226 1033298540 /nfs/dbraw/zinc/29/85/40/1033298540.db2.gz IBIOAWWCSVQJMA-OAHLLOKOSA-N 0 3 314.410 3.976 20 30 DHEDHN CCCC(=O)Nc1cccc(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000924691793 1033324944 /nfs/dbraw/zinc/32/49/44/1033324944.db2.gz HKZCOYDMKGAZAH-CQSZACIVSA-N 0 3 301.434 3.843 20 30 DHEDHN N#CCOc1ccc(CN2CC=C(c3ccccc3)CC2)cc1 ZINC001137121667 1033331723 /nfs/dbraw/zinc/33/17/23/1033331723.db2.gz YHVLPSYOUAFRHB-UHFFFAOYSA-N 0 3 304.393 3.878 20 30 DHEDHN C=CCc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cc(OC)c1O ZINC000877757105 1033435454 /nfs/dbraw/zinc/43/54/54/1033435454.db2.gz GODWEGDTIFKUQN-ZDUSSCGKSA-N 0 3 313.397 3.686 20 30 DHEDHN CC(=O)[C@@](C#N)(CCN1CCC(C(C)C)CC1)c1ccccc1 ZINC000878134091 1033591938 /nfs/dbraw/zinc/59/19/38/1033591938.db2.gz PADKGHDFLMZKSL-FQEVSTJZSA-N 0 3 312.457 3.795 20 30 DHEDHN C=C(C)[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccc(F)c(F)c1 ZINC000478922201 1033610856 /nfs/dbraw/zinc/61/08/56/1033610856.db2.gz WYCBHFUQZPFODA-VFVRVIDISA-N 0 3 322.399 3.571 20 30 DHEDHN C=CCOC1CCC(NCc2c(Cl)cncc2Cl)CC1 ZINC001173314076 1033666533 /nfs/dbraw/zinc/66/65/33/1033666533.db2.gz IIMUFZJFVOGORL-UHFFFAOYSA-N 0 3 315.244 3.992 20 30 DHEDHN C=CCOC1CCC(N2CCc3cccc(OC)c3C2)CC1 ZINC001173321935 1033685627 /nfs/dbraw/zinc/68/56/27/1033685627.db2.gz SGNCHTYRKQWBQK-UHFFFAOYSA-N 0 3 301.430 3.567 20 30 DHEDHN N#CCC1CCC(N2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC001173337017 1033692109 /nfs/dbraw/zinc/69/21/09/1033692109.db2.gz VYEVWYAACCVUIF-UHFFFAOYSA-N 0 3 318.424 3.932 20 30 DHEDHN N#CCC1CCC(N[C@H](c2ccccc2)c2cccnn2)CC1 ZINC001173332420 1033692348 /nfs/dbraw/zinc/69/23/48/1033692348.db2.gz NCRDESCKMVWALI-GXOAENINSA-N 0 3 306.413 3.628 20 30 DHEDHN C=CCOC1CCC(NCc2cc(-c3ccccc3)on2)CC1 ZINC001173315429 1033707287 /nfs/dbraw/zinc/70/72/87/1033707287.db2.gz NDQVYBXBZGMTKF-UHFFFAOYSA-N 0 3 312.413 3.945 20 30 DHEDHN C=CCOC1CCC(N[C@H]2CCOc3cc(F)cc(F)c32)CC1 ZINC001173317807 1033709996 /nfs/dbraw/zinc/70/99/96/1033709996.db2.gz JGBMCYAVKBCKIT-XUJLQICISA-N 0 3 323.383 3.892 20 30 DHEDHN C#CC[C@@H]1CCCN(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000878761959 1033822928 /nfs/dbraw/zinc/82/29/28/1033822928.db2.gz UDWSOOFIAVUIPT-KFWWJZLASA-N 0 3 315.379 3.660 20 30 DHEDHN N#Cc1ccc(C2CCN(CC[C@@H]3CC3(Cl)Cl)CC2)nc1 ZINC000879023070 1033897949 /nfs/dbraw/zinc/89/79/49/1033897949.db2.gz HFKAGYSPHBADOG-CQSZACIVSA-N 0 3 324.255 3.717 20 30 DHEDHN C[C@H](c1nc2ccccc2o1)N(C)CCc1cccc(C#N)c1 ZINC000879432685 1034014745 /nfs/dbraw/zinc/01/47/45/1034014745.db2.gz FJOMWWUDFAMEQN-CQSZACIVSA-N 0 3 305.381 3.935 20 30 DHEDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCc1cccc(C#N)c1 ZINC000879434109 1034015098 /nfs/dbraw/zinc/01/50/98/1034015098.db2.gz ODAOMADUTMONFU-CQSZACIVSA-N 0 3 309.369 3.702 20 30 DHEDHN CN(CCc1cccc(C#N)c1)Cc1cncc(C(F)(F)F)c1 ZINC000879432168 1034016400 /nfs/dbraw/zinc/01/64/00/1034016400.db2.gz DUCMTADXSLEAPY-UHFFFAOYSA-N 0 3 319.330 3.647 20 30 DHEDHN CC(C)[C@H](NCc1ccc(F)cc1C#N)[C@H](O)c1ccccc1 ZINC000794615136 1034316751 /nfs/dbraw/zinc/31/67/51/1034316751.db2.gz VMMSTKNIGGMWAU-RBUKOAKNSA-N 0 3 312.388 3.545 20 30 DHEDHN C=CCCC[C@H](NCC(=O)Nc1cc(C)on1)c1ccccc1 ZINC000880388536 1034320240 /nfs/dbraw/zinc/32/02/40/1034320240.db2.gz LIVNQHQJXMTUAJ-INIZCTEOSA-N 0 3 313.401 3.609 20 30 DHEDHN CN(Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H]1CCC(C)(C)C1 ZINC000794686775 1034343462 /nfs/dbraw/zinc/34/34/62/1034343462.db2.gz QUHISRYQSMACCC-KRWDZBQOSA-N 0 3 308.429 3.890 20 30 DHEDHN C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccccc1[O-] ZINC000183454389 1034388808 /nfs/dbraw/zinc/38/88/08/1034388808.db2.gz OBRDNTCPYYHUQL-CQSZACIVSA-N 0 3 312.438 3.848 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H](C3CC3)C2)c(Br)c1 ZINC000481116228 1034590038 /nfs/dbraw/zinc/59/00/38/1034590038.db2.gz MKEGUWAGLQSOAF-CYBMUJFWSA-N 0 3 305.219 3.553 20 30 DHEDHN CCc1cnccc1[C@H](C)NCc1ccc(N(C)CCC#N)cc1 ZINC000773426764 1034684054 /nfs/dbraw/zinc/68/40/54/1034684054.db2.gz HAJIVQSUABVTKE-INIZCTEOSA-N 0 3 322.456 3.845 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCC1 ZINC000191304213 1034757910 /nfs/dbraw/zinc/75/79/10/1034757910.db2.gz QGWRVBYIJXHRNO-HNNXBMFYSA-N 0 3 318.486 3.748 20 30 DHEDHN COc1cccc(C2(F)CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000555503956 1034768934 /nfs/dbraw/zinc/76/89/34/1034768934.db2.gz ZKDDSGITBNRFIT-HOCLYGCPSA-N 0 3 302.393 3.648 20 30 DHEDHN N#CCC1(COC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000842314298 1034860268 /nfs/dbraw/zinc/86/02/68/1034860268.db2.gz VZCMDGDESPMSTR-UHFFFAOYSA-N 0 3 312.413 3.523 20 30 DHEDHN CC[C@H](CC#N)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842342154 1034929819 /nfs/dbraw/zinc/92/98/19/1034929819.db2.gz HBDUGFCJZBRYNL-QGZVFWFLSA-N 0 3 300.402 3.522 20 30 DHEDHN N#Cc1c(F)cccc1NC1=CCN(Cc2ccccc2)CC1 ZINC001175505746 1035017333 /nfs/dbraw/zinc/01/73/33/1035017333.db2.gz GJSCQJVSVSJVRB-UHFFFAOYSA-N 0 3 307.372 3.899 20 30 DHEDHN C#CCOc1ccc(NC2=CCN(Cc3ccccc3)CC2)cc1 ZINC001175506784 1035019463 /nfs/dbraw/zinc/01/94/63/1035019463.db2.gz MVKXXIZPSFLJFH-UHFFFAOYSA-N 0 3 318.420 3.900 20 30 DHEDHN N#Cc1ccc(CNC2([C@H]3CCCCO3)CCC2)c(Cl)c1 ZINC001175630046 1035054542 /nfs/dbraw/zinc/05/45/42/1035054542.db2.gz BGQSSDBLPCOHMB-MRXNPFEDSA-N 0 3 304.821 3.793 20 30 DHEDHN CCN1CCN(c2ccc(Nc3ccc(C#N)s3)cc2)CC1 ZINC001175782912 1035119132 /nfs/dbraw/zinc/11/91/32/1035119132.db2.gz YDLDCVYRIFJQQY-UHFFFAOYSA-N 0 3 312.442 3.505 20 30 DHEDHN CCCN(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000160476613 1035192458 /nfs/dbraw/zinc/19/24/58/1035192458.db2.gz GUUSSHLQRXFKIY-UHFFFAOYSA-N 0 3 304.397 3.618 20 30 DHEDHN Cc1ccoc1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128792534 1035231709 /nfs/dbraw/zinc/23/17/09/1035231709.db2.gz GAKYNRCQICSHOH-OAHLLOKOSA-N 0 3 318.332 3.702 20 30 DHEDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(F)c(C#N)c3)cccc21 ZINC001176618558 1035302138 /nfs/dbraw/zinc/30/21/38/1035302138.db2.gz SQXQOCSDFHADBE-QGZVFWFLSA-N 0 3 311.360 3.826 20 30 DHEDHN OCCCN(CC#Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000483959067 1035310357 /nfs/dbraw/zinc/31/03/57/1035310357.db2.gz RAQJDQKYNLVHNA-JOCHJYFZSA-N 0 3 319.448 3.800 20 30 DHEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1ccc(SC)cc1 ZINC001176771801 1035330178 /nfs/dbraw/zinc/33/01/78/1035330178.db2.gz VZEKHHYBFUUBHP-HNNXBMFYSA-N 0 3 304.459 3.778 20 30 DHEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001176771346 1035330509 /nfs/dbraw/zinc/33/05/09/1035330509.db2.gz JZPFJQBIQIQSDL-ZDUSSCGKSA-N 0 3 310.800 3.848 20 30 DHEDHN C=CCN1CCC(NC(=O)c2cccc(C3CCCC3)c2)CC1 ZINC000668369013 1035376849 /nfs/dbraw/zinc/37/68/49/1035376849.db2.gz MFKHPVPYABFFMT-UHFFFAOYSA-N 0 3 312.457 3.724 20 30 DHEDHN C=CCOCCCNCc1cc2cccc(C)c2nc1Cl ZINC001179169219 1035467986 /nfs/dbraw/zinc/46/79/86/1035467986.db2.gz UCCBZEIANVAEHF-UHFFFAOYSA-N 0 3 304.821 3.879 20 30 DHEDHN C=C1CCN(Cc2ccccc2-n2nnc3ccccc32)CC1 ZINC001180007277 1035564135 /nfs/dbraw/zinc/56/41/35/1035564135.db2.gz TXJUTIXCHZXZBV-UHFFFAOYSA-N 0 3 304.397 3.573 20 30 DHEDHN C(#Cc1ccccc1)CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000192163877 1035772660 /nfs/dbraw/zinc/77/26/60/1035772660.db2.gz QIQDWYBAZXRKQG-OAQYLSRUSA-N 0 3 319.404 3.550 20 30 DHEDHN C[C@@H](N[C@H]1C[C@H](Oc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000595089626 1035928757 /nfs/dbraw/zinc/92/87/57/1035928757.db2.gz UOPCFYJIYIACMR-FRFSOERESA-N 0 3 310.372 3.958 20 30 DHEDHN COc1ccc(CCN(CC(C)(C)C)CC2(C#N)CC2)cc1 ZINC000540549543 1036099907 /nfs/dbraw/zinc/09/99/07/1036099907.db2.gz OUVANAKHSDQADF-UHFFFAOYSA-N 0 3 300.446 3.890 20 30 DHEDHN COc1ccc(CN[C@H](C)c2cc3ccccc3[nH]2)cc1C#N ZINC000775628065 1036100071 /nfs/dbraw/zinc/10/00/71/1036100071.db2.gz LETMKSMNSQRXAC-CYBMUJFWSA-N 0 3 305.381 3.899 20 30 DHEDHN Clc1ccccc1C#CCN1CCC[C@H]1C1CCOCC1 ZINC000540826808 1036164521 /nfs/dbraw/zinc/16/45/21/1036164521.db2.gz PCWGEIFKPLQRPA-SFHVURJKSA-N 0 3 303.833 3.583 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000774134403 1036191960 /nfs/dbraw/zinc/19/19/60/1036191960.db2.gz ZIECDAUBIKAAFT-GOSISDBHSA-N 0 3 307.353 3.634 20 30 DHEDHN N#Cc1cccc(NC(=O)CN2CCCC3(CCCC3)CC2)c1 ZINC001196040558 1036427535 /nfs/dbraw/zinc/42/75/35/1036427535.db2.gz XUFUUDFAZJTEDU-UHFFFAOYSA-N 0 3 311.429 3.543 20 30 DHEDHN COc1cccc([C@@]2(C)CCN(Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001196131908 1036443750 /nfs/dbraw/zinc/44/37/50/1036443750.db2.gz KAGJKFJRSYZMDM-FQEVSTJZSA-N 0 3 324.399 3.870 20 30 DHEDHN C#CCCCCCCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC001196639109 1036587544 /nfs/dbraw/zinc/58/75/44/1036587544.db2.gz LORBCFRTQFQXMV-UHFFFAOYSA-N 0 3 323.484 3.869 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)CCCN2C)c1ccc(C#N)c(F)c1 ZINC000271936637 1036718113 /nfs/dbraw/zinc/71/81/13/1036718113.db2.gz KHWAOPAYIBBUMH-AWEZNQCLSA-N 0 3 323.415 3.931 20 30 DHEDHN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)CCC(C)(C)C#N ZINC000495641466 1036803449 /nfs/dbraw/zinc/80/34/49/1036803449.db2.gz PNRXHTIKDRRBFV-AWEZNQCLSA-N 0 3 315.417 3.576 20 30 DHEDHN CC[C@H]1C[C@H](C)CN1Cc1cc(C#N)ccc1Br ZINC000492634500 1036949893 /nfs/dbraw/zinc/94/98/93/1036949893.db2.gz XGVIMUMRFCUTEM-FZMZJTMJSA-N 0 3 307.235 3.941 20 30 DHEDHN C#CCN(Cc1ccc(CO)cc1)[C@@H]1CCCc2ccccc21 ZINC001198104177 1036953996 /nfs/dbraw/zinc/95/39/96/1036953996.db2.gz MOCZVHRCIQGTPG-OAQYLSRUSA-N 0 3 305.421 3.692 20 30 DHEDHN Cc1cc(CNCc2cccc(-c3cnn(C)c3)c2)ccc1C#N ZINC000443998028 1036995276 /nfs/dbraw/zinc/99/52/76/1036995276.db2.gz NXJOSOGVJWAKJR-UHFFFAOYSA-N 0 3 316.408 3.557 20 30 DHEDHN C=CCC[C@H]1CCCN1CC(=O)Nc1c(C)cc(C)cc1C ZINC001198407560 1037016940 /nfs/dbraw/zinc/01/69/40/1037016940.db2.gz WLKFPNLVGXVCOU-KRWDZBQOSA-N 0 3 300.446 3.981 20 30 DHEDHN Cc1cc(CN2CCC([C@H](O)c3ccccc3)CC2)ccc1C#N ZINC000774827607 1037019384 /nfs/dbraw/zinc/01/93/84/1037019384.db2.gz QIMHZHWYDIMHIY-OAQYLSRUSA-N 0 3 320.436 3.812 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N([C@H](C)[C@H](C)CC)C2CC2)CC1 ZINC000175474379 1037050360 /nfs/dbraw/zinc/05/03/60/1037050360.db2.gz PQVKWBSAMVBNAB-HZPDHXFCSA-N 0 3 321.509 3.636 20 30 DHEDHN CCC[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000193629583 1037051752 /nfs/dbraw/zinc/05/17/52/1037051752.db2.gz CLQQQSIAWGETII-GOSISDBHSA-N 0 3 307.397 3.628 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=S)Nc1ccc(C(C)C)cc1 ZINC001198639352 1037089724 /nfs/dbraw/zinc/08/97/24/1037089724.db2.gz ZGHZPYXPEFVNFG-KRWDZBQOSA-N 0 3 317.502 3.747 20 30 DHEDHN Cc1cc(Br)cc(CNCc2cccc(C#N)c2)c1 ZINC000774966749 1037285530 /nfs/dbraw/zinc/28/55/30/1037285530.db2.gz ZWLHKIAJOZTTJV-UHFFFAOYSA-N 0 3 315.214 3.919 20 30 DHEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000912075354 1037288154 /nfs/dbraw/zinc/28/81/54/1037288154.db2.gz KSIFQFCPOMVKQJ-HNNXBMFYSA-N 0 3 315.442 3.741 20 30 DHEDHN C[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000781420176 1037495298 /nfs/dbraw/zinc/49/52/98/1037495298.db2.gz IOPWPRJAGMTHIC-PIGZYNQJSA-N 0 3 318.779 3.735 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000489889085 1037550018 /nfs/dbraw/zinc/55/00/18/1037550018.db2.gz PSJFWFSYHOQJLK-MRXNPFEDSA-N 0 3 310.372 3.695 20 30 DHEDHN N#CCOc1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000776164963 1037638891 /nfs/dbraw/zinc/63/88/91/1037638891.db2.gz YAHQOAWLYHNHSG-IBGZPJMESA-N 0 3 310.372 3.895 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1OCCc2ccccc21 ZINC000490363121 1037689219 /nfs/dbraw/zinc/68/92/19/1037689219.db2.gz GBBXUGAFKTUONA-MGPUTAFESA-N 0 3 306.409 3.865 20 30 DHEDHN CCOC(=O)C1(C#N)CCN(C[C@@H](C)CCC=C(C)C)CC1 ZINC001201495528 1037714251 /nfs/dbraw/zinc/71/42/51/1037714251.db2.gz DNSAMWJDXSNVNJ-INIZCTEOSA-N 0 3 306.450 3.538 20 30 DHEDHN N#Cc1c(F)cccc1N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001187926690 1037755141 /nfs/dbraw/zinc/75/51/41/1037755141.db2.gz OZTPJHKJYBLQJE-INIZCTEOSA-N 0 3 315.779 3.502 20 30 DHEDHN CC(N=Nc1ccccn1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000916541245 1037778412 /nfs/dbraw/zinc/77/84/12/1037778412.db2.gz LSVVSWHOOSBJRF-UHFFFAOYSA-N 0 3 324.428 3.609 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(OC3CCCCC3)c2)C1 ZINC000185805896 1037842196 /nfs/dbraw/zinc/84/21/96/1037842196.db2.gz FNXSMSNSTZKMTB-RDJZCZTQSA-N 0 3 313.445 3.965 20 30 DHEDHN N#Cc1ccc(CNC[C@H](O)c2cc3ccccc3s2)s1 ZINC000151368669 1037867488 /nfs/dbraw/zinc/86/74/88/1037867488.db2.gz FOFFCGZRMZYTMT-AWEZNQCLSA-N 0 3 314.435 3.658 20 30 DHEDHN CN(Cc1cccc(C#N)c1)Cc1ccc(F)c2cccnc12 ZINC000029723864 1037890704 /nfs/dbraw/zinc/89/07/04/1037890704.db2.gz GIYHUGSXQPAKPD-UHFFFAOYSA-N 0 3 305.356 3.878 20 30 DHEDHN Cc1cc(CNCc2cccc(C#N)c2)sc1Br ZINC000125409655 1037935414 /nfs/dbraw/zinc/93/54/14/1037935414.db2.gz JJZOVGOIYNYBME-UHFFFAOYSA-N 0 3 321.243 3.981 20 30 DHEDHN Cc1sccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001201954029 1037951528 /nfs/dbraw/zinc/95/15/28/1037951528.db2.gz DYCDVFXGIUWJAX-UHFFFAOYSA-N 0 3 322.437 3.619 20 30 DHEDHN CCC[N@H+](Cc1ccccc1[O-])Cc1cc(C#N)ccc1OC ZINC000154157558 1037955274 /nfs/dbraw/zinc/95/52/74/1037955274.db2.gz RMQDVTXAKLMASM-UHFFFAOYSA-N 0 3 310.397 3.685 20 30 DHEDHN CCC[N@@H+](Cc1ccccc1[O-])Cc1cc(C#N)ccc1OC ZINC000154157558 1037955293 /nfs/dbraw/zinc/95/52/93/1037955293.db2.gz RMQDVTXAKLMASM-UHFFFAOYSA-N 0 3 310.397 3.685 20 30 DHEDHN C#CCOc1ccccc1CNC[C@H]1CCC2(CCCCC2)O1 ZINC001202011181 1037961902 /nfs/dbraw/zinc/96/19/02/1037961902.db2.gz VPSHBYJEUWWRKG-GOSISDBHSA-N 0 3 313.441 3.670 20 30 DHEDHN CCc1ccc([C@H]2CCCN(Cc3ccnc(C#N)c3)C2)cc1 ZINC000586784715 1037967311 /nfs/dbraw/zinc/96/73/11/1037967311.db2.gz VXFFJWFNIRADOW-IBGZPJMESA-N 0 3 305.425 3.895 20 30 DHEDHN C[C@@H](N[C@H](C)c1ccc2[nH]c(=O)oc2c1)c1ccc(C#N)cc1 ZINC000586789167 1037969848 /nfs/dbraw/zinc/96/98/48/1037969848.db2.gz WJTJQLOUTIERHW-VXGBXAGGSA-N 0 3 307.353 3.817 20 30 DHEDHN C=CCc1cc(CN(C)Cc2cccc(C#N)c2)c(O)c(OC)c1 ZINC000163969118 1038031776 /nfs/dbraw/zinc/03/17/76/1038031776.db2.gz JTASPCKRGWMJLC-UHFFFAOYSA-N 0 3 322.408 3.633 20 30 DHEDHN CCC(CC)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000916917198 1038038534 /nfs/dbraw/zinc/03/85/34/1038038534.db2.gz FXQGDLOECRBPHP-INIZCTEOSA-N 0 3 308.381 3.923 20 30 DHEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)c(C)o1 ZINC000916906794 1038040860 /nfs/dbraw/zinc/04/08/60/1038040860.db2.gz UEEOTYIFRSVBGG-GFCCVEGCSA-N 0 3 316.744 3.511 20 30 DHEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H](C)CC ZINC000916905402 1038043405 /nfs/dbraw/zinc/04/34/05/1038043405.db2.gz CANMBLJZNWPZTR-IUODEOHRSA-N 0 3 300.402 3.505 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1cccc(C(=O)N(C)C)c1 ZINC000065959276 1038129935 /nfs/dbraw/zinc/12/99/35/1038129935.db2.gz VBNQSFWFALZKDU-UHFFFAOYSA-N 0 3 322.452 3.619 20 30 DHEDHN CCC[C@@H](C)N(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000917104729 1038208384 /nfs/dbraw/zinc/20/83/84/1038208384.db2.gz TZCKORZQPDYNJC-CHWSQXEVSA-N 0 3 315.442 3.593 20 30 DHEDHN COc1cc(CNCc2ccccc2COC(C)C)ccc1C#N ZINC000571981695 1038284629 /nfs/dbraw/zinc/28/46/29/1038284629.db2.gz IMOQLTNUMXBRMY-UHFFFAOYSA-N 0 3 324.424 3.782 20 30 DHEDHN CCCCCCCCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC001190485450 1038319561 /nfs/dbraw/zinc/31/95/61/1038319561.db2.gz JOEOAAFPLUXTSF-UHFFFAOYSA-N 0 3 314.477 3.826 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H]1Cc1ccccc1 ZINC000589190485 1038447769 /nfs/dbraw/zinc/44/77/69/1038447769.db2.gz VROGGOSXQYCBEQ-IBGZPJMESA-N 0 3 314.473 3.508 20 30 DHEDHN CN(Cc1cc(C#N)n(C)c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000589205881 1038449364 /nfs/dbraw/zinc/44/93/64/1038449364.db2.gz UCXIPBBRQYZCEU-OALUTQOASA-N 0 3 323.440 3.575 20 30 DHEDHN N#Cc1ccc(OCCCNC2(c3ccccc3F)CC2)cc1 ZINC000775452131 1038488189 /nfs/dbraw/zinc/48/81/89/1038488189.db2.gz JFVUXBXHQPPEQC-UHFFFAOYSA-N 0 3 310.372 3.745 20 30 DHEDHN C=CCC[C@@H](NCC(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC000775463365 1038517067 /nfs/dbraw/zinc/51/70/67/1038517067.db2.gz KXCNFXHGLQPMMJ-GOSISDBHSA-N 0 3 310.397 3.628 20 30 DHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000589945418 1038561898 /nfs/dbraw/zinc/56/18/98/1038561898.db2.gz CNDULHVCTUIUIH-HUUCEWRRSA-N 0 3 321.424 3.672 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccccc1C(C)C ZINC001192275196 1038619668 /nfs/dbraw/zinc/61/96/68/1038619668.db2.gz IQXCESITFDJBIQ-HNNXBMFYSA-N 0 3 301.434 3.582 20 30 DHEDHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@@H](O)c1cccc(C#N)c1 ZINC001192302875 1038633424 /nfs/dbraw/zinc/63/34/24/1038633424.db2.gz NFMCGIUZPTVWEK-LAPQFRIASA-N 0 3 324.399 3.739 20 30 DHEDHN C[C@@H](NCCOCCC#N)c1cc(Cl)ccc1OC(F)F ZINC001192627543 1038687135 /nfs/dbraw/zinc/68/71/35/1038687135.db2.gz XVJYSKKQQYWMKG-SNVBAGLBSA-N 0 3 318.751 3.522 20 30 DHEDHN CC[C@H](NC[C@H](O)c1cccc(C#N)c1)c1cc(F)ccc1F ZINC001192689001 1038691667 /nfs/dbraw/zinc/69/16/67/1038691667.db2.gz AEMHJBYZOZSDRG-ROUUACIJSA-N 0 3 316.351 3.611 20 30 DHEDHN C[C@H](NC[C@@H](O)[C@@H](C)c1ccccc1)c1ccc(C#N)cc1F ZINC000590715639 1038694355 /nfs/dbraw/zinc/69/43/55/1038694355.db2.gz AEVYHJXCARQBSE-CKFHNAJUSA-N 0 3 312.388 3.513 20 30 DHEDHN CN(C)[C@H](CNc1cccc(F)c1C#N)c1cccc(F)c1 ZINC000060991714 1038824918 /nfs/dbraw/zinc/82/49/18/1038824918.db2.gz IMVZNCGYZZTINR-QGZVFWFLSA-N 0 3 301.340 3.551 20 30 DHEDHN Cn1cc(CN2CCC(CCC#N)CC2)c(-c2cccs2)n1 ZINC000573250784 1038889082 /nfs/dbraw/zinc/88/90/82/1038889082.db2.gz BTFXBWPPRYBOCW-UHFFFAOYSA-N 0 3 314.458 3.664 20 30 DHEDHN COc1cc(C)c(CN(C)Cc2ccc(C)c(C#N)c2)cc1OC ZINC000599253744 1039101878 /nfs/dbraw/zinc/10/18/78/1039101878.db2.gz POOXEIABJGNYDG-UHFFFAOYSA-N 0 3 324.424 3.824 20 30 DHEDHN Cc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1C#N ZINC000599272520 1039110994 /nfs/dbraw/zinc/11/09/94/1039110994.db2.gz OYHFKSYZMZZTJU-UHFFFAOYSA-N 0 3 301.393 3.903 20 30 DHEDHN Cc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)cc1C#N ZINC000599453813 1039162524 /nfs/dbraw/zinc/16/25/24/1039162524.db2.gz BNCRXQSYTRBTNX-UHFFFAOYSA-N 0 3 301.393 3.907 20 30 DHEDHN N#Cc1ccc(-c2nnc(CN3CCCC[C@H]3C3CCC3)o2)cc1 ZINC000592198229 1039182078 /nfs/dbraw/zinc/18/20/78/1039182078.db2.gz LFZRMKHNESXGKH-KRWDZBQOSA-N 0 3 322.412 3.763 20 30 DHEDHN COc1cc(CN[C@H](CC(C)C)c2ccncc2)ccc1C#N ZINC000592390000 1039186746 /nfs/dbraw/zinc/18/67/46/1039186746.db2.gz HLWCHUVEWHSMQS-GOSISDBHSA-N 0 3 309.413 3.839 20 30 DHEDHN N#CCc1cccc2c1CCN(C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000599676961 1039254922 /nfs/dbraw/zinc/25/49/22/1039254922.db2.gz CVPAGYGQIVHSLK-SFHVURJKSA-N 0 3 310.441 3.603 20 30 DHEDHN CC(C)(C)[C@H]1CCCN1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075716475 1039491536 /nfs/dbraw/zinc/49/15/36/1039491536.db2.gz ZPGFHUXKESLYLH-OAHLLOKOSA-N 0 3 310.401 3.619 20 30 DHEDHN N#CC1(CNC2CCN(c3ccc(F)cc3F)CC2)CCCC1 ZINC000593653506 1039581669 /nfs/dbraw/zinc/58/16/69/1039581669.db2.gz MZTGNKOVLRAXPK-UHFFFAOYSA-N 0 3 319.399 3.607 20 30 DHEDHN COc1ccc([C@H](N[C@H]2CC[C@@H](CC#N)C2)c2ccccn2)cc1 ZINC000593713235 1039589388 /nfs/dbraw/zinc/58/93/88/1039589388.db2.gz YZVQAQZUQUISGW-KNBMTAEXSA-N 0 3 321.424 3.852 20 30 DHEDHN N#Cc1c(F)cccc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000059018934 1039713649 /nfs/dbraw/zinc/71/36/49/1039713649.db2.gz MCSSUPYBBNJPCI-INIZCTEOSA-N 0 3 309.388 3.774 20 30 DHEDHN CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594443788 1039782721 /nfs/dbraw/zinc/78/27/21/1039782721.db2.gz UVLYATSYUOZXIV-OAGGEKHMSA-N 0 3 307.482 3.509 20 30 DHEDHN CCCCN(C(=O)[C@@H](N)CCCCC#N)[C@H](C)c1ccccc1 ZINC000594447038 1039783216 /nfs/dbraw/zinc/78/32/16/1039783216.db2.gz SBKQRHTYKGUUBW-AEFFLSMTSA-N 0 3 315.461 3.788 20 30 DHEDHN COC(=O)c1cccc(CNCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594606952 1039868884 /nfs/dbraw/zinc/86/88/84/1039868884.db2.gz OVMUTYNBVOPKQW-UHFFFAOYSA-N 0 3 322.408 3.564 20 30 DHEDHN C=CCN(CCOCc1ccc(OC)cc1)Cc1ccccc1 ZINC000594718043 1039900950 /nfs/dbraw/zinc/90/09/50/1039900950.db2.gz XQOIGUGVZIUCIS-UHFFFAOYSA-N 0 3 311.425 3.900 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2sc(C)nc2C)c1 ZINC000076870138 1039922741 /nfs/dbraw/zinc/92/27/41/1039922741.db2.gz IAGCXRKGINPAET-HNNXBMFYSA-N 0 3 315.442 3.731 20 30 DHEDHN Cc1ccc2ncc(CNC(C)(C)c3cccc(C#N)c3)n2c1 ZINC000594969498 1039945530 /nfs/dbraw/zinc/94/55/30/1039945530.db2.gz RFJNHKNRYDROCX-UHFFFAOYSA-N 0 3 304.397 3.539 20 30 DHEDHN Cc1cc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)ccc1C#N ZINC000594990641 1040004997 /nfs/dbraw/zinc/00/49/97/1040004997.db2.gz VINKDTMOHFFSFP-WOJBJXKFSA-N 0 3 308.425 3.715 20 30 DHEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1nc2c(s1)CCCC2 ZINC000595055234 1040019544 /nfs/dbraw/zinc/01/95/44/1040019544.db2.gz BOBPWSCETVCSBG-CYBMUJFWSA-N 0 3 311.454 3.787 20 30 DHEDHN COCc1csc(CN[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000595077693 1040070170 /nfs/dbraw/zinc/07/01/70/1040070170.db2.gz PSOXOMNLRGVSLP-LLVKDONJSA-N 0 3 304.390 3.756 20 30 DHEDHN COC[C@H](NCCC1(C#N)CCCCC1)c1cccc(OC)c1 ZINC000595683354 1040210144 /nfs/dbraw/zinc/21/01/44/1040210144.db2.gz HSTBJRVATQQJCF-SFHVURJKSA-N 0 3 316.445 3.836 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c(Cl)c1 ZINC000595789296 1040254975 /nfs/dbraw/zinc/25/49/75/1040254975.db2.gz QNCHROWQCHKICE-SJLPKXTDSA-N 0 3 318.848 3.993 20 30 DHEDHN N#Cc1cccc(CN2CCC3(CCc4ccccc4O3)CC2)c1 ZINC000595828079 1040264785 /nfs/dbraw/zinc/26/47/85/1040264785.db2.gz IFABHMWCPJNQLM-UHFFFAOYSA-N 0 3 318.420 3.918 20 30 DHEDHN CC[C@@](C)(NCCCOc1ccc(C#N)cc1)c1nccs1 ZINC000173505617 1040318852 /nfs/dbraw/zinc/31/88/52/1040318852.db2.gz GVMZBOLCBJYFLH-QGZVFWFLSA-N 0 3 315.442 3.699 20 30 DHEDHN N#CCc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000063913810 1040603323 /nfs/dbraw/zinc/60/33/23/1040603323.db2.gz CRUGNLIEBDJLAD-UHFFFAOYSA-N 0 3 319.408 3.601 20 30 DHEDHN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC2(CCCC2)O1 ZINC000597156227 1040669820 /nfs/dbraw/zinc/66/98/20/1040669820.db2.gz LNSFPEBIPYJUFG-MRXNPFEDSA-N 0 3 310.441 3.775 20 30 DHEDHN N#Cc1c(F)cccc1CN[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000602017843 1040866332 /nfs/dbraw/zinc/86/63/32/1040866332.db2.gz SDBJBFPQVPYZCD-APWZRJJASA-N 0 3 310.372 3.707 20 30 DHEDHN CN(C)Cc1ccc(NC(=O)CC2(C#N)CCCCC2)c(F)c1 ZINC000597773818 1040893869 /nfs/dbraw/zinc/89/38/69/1040893869.db2.gz XREDWKOPIVTOSM-UHFFFAOYSA-N 0 3 317.408 3.690 20 30 DHEDHN Cc1nc(C)c([C@H](C)NCc2cccc(OCC#N)c2)s1 ZINC000040518189 1040927672 /nfs/dbraw/zinc/92/76/72/1040927672.db2.gz HMXZGPAXPOEDJJ-NSHDSACASA-N 0 3 301.415 3.513 20 30 DHEDHN CC(C)Oc1ccccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602519447 1041067027 /nfs/dbraw/zinc/06/70/27/1041067027.db2.gz ZTWUYCZVQHKWRI-MRXNPFEDSA-N 0 3 316.445 3.662 20 30 DHEDHN CCOc1cc(C)ccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602567164 1041100349 /nfs/dbraw/zinc/10/03/49/1041100349.db2.gz ITPWYYGRINWIRO-INIZCTEOSA-N 0 3 316.445 3.582 20 30 DHEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cnccc1C(C)(C)C ZINC000602688262 1041152779 /nfs/dbraw/zinc/15/27/79/1041152779.db2.gz ABSRXUDHLGZBDE-OAHLLOKOSA-N 0 3 315.461 3.568 20 30 DHEDHN COc1cc([C@H](C)NCC2(CC#N)CC2)ccc1OC(C)C ZINC000602802218 1041226912 /nfs/dbraw/zinc/22/69/12/1041226912.db2.gz PVAQFVZDPISVQT-AWEZNQCLSA-N 0 3 302.418 3.827 20 30 DHEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cc(Cl)ccc1Cl ZINC000598602493 1041346189 /nfs/dbraw/zinc/34/61/89/1041346189.db2.gz PCSWWTZWHVEPJY-ZYHUDNBSSA-N 0 3 315.244 3.945 20 30 DHEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC000598594052 1041354346 /nfs/dbraw/zinc/35/43/46/1041354346.db2.gz FMVUNICVGPXFEY-JQWIXIFHSA-N 0 3 315.244 3.945 20 30 DHEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC000598594054 1041355338 /nfs/dbraw/zinc/35/53/38/1041355338.db2.gz FMVUNICVGPXFEY-ZYHUDNBSSA-N 0 3 315.244 3.945 20 30 DHEDHN C[C@@H](c1ccco1)N(CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000088549223 185257285 /nfs/dbraw/zinc/25/72/85/185257285.db2.gz PDTYTQIGXJPXNI-AWEZNQCLSA-N 0 3 323.396 3.705 20 30 DHEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1ccc(CCC)cc1)C(C)C ZINC000096966518 185394042 /nfs/dbraw/zinc/39/40/42/185394042.db2.gz TWBKBSYYKGLZQP-QAPCUYQASA-N 0 3 302.462 3.617 20 30 DHEDHN C=CCCOCCN[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000090883881 334950915 /nfs/dbraw/zinc/95/09/15/334950915.db2.gz ULHQGVZQUCYPHL-ZDUSSCGKSA-N 0 3 317.458 3.757 20 30 DHEDHN C=CCC[C@@H](NCc1ccnn1CCCOC)c1ccccc1 ZINC000282646903 334996866 /nfs/dbraw/zinc/99/68/66/334996866.db2.gz LQROJEOCSFAWJZ-LJQANCHMSA-N 0 3 313.445 3.717 20 30 DHEDHN C=C(C)CN1CCC(N[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000286321344 335032904 /nfs/dbraw/zinc/03/29/04/335032904.db2.gz XOVZZRPXWLLEGP-GOSISDBHSA-N 0 3 316.493 3.661 20 30 DHEDHN C=CCC[C@H](NC1CCN(c2cc(C)[nH]n2)CC1)c1ccco1 ZINC000287665917 335046399 /nfs/dbraw/zinc/04/63/99/335046399.db2.gz VOJGYUXSDZSLRB-INIZCTEOSA-N 0 3 314.433 3.577 20 30 DHEDHN C#Cc1ccc(CN[C@H](CC)c2ccc(OC)c(OC)c2)cc1 ZINC000289346071 335058098 /nfs/dbraw/zinc/05/80/98/335058098.db2.gz IMYIKZZEVNTRMX-GOSISDBHSA-N 0 3 309.409 3.926 20 30 DHEDHN C=C(C)C[C@@H](C)c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000288888338 335058503 /nfs/dbraw/zinc/05/85/03/335058503.db2.gz ALOAUBNFRQFSBL-CQSZACIVSA-N 0 3 315.417 3.747 20 30 DHEDHN C#Cc1ccc(CNCc2cccc(NC(=O)C3CCC3)c2)cc1 ZINC000289366073 335062714 /nfs/dbraw/zinc/06/27/14/335062714.db2.gz ZEFNBAJYSZNQJH-UHFFFAOYSA-N 0 3 318.420 3.696 20 30 DHEDHN COc1ccc([C@@H](CN(C)C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000284363321 131074305 /nfs/dbraw/zinc/07/43/05/131074305.db2.gz NFFQAUSENFKIET-MGPUTAFESA-N 0 3 323.440 3.520 20 30 DHEDHN Cn1cc(CN2CC3(C2)CCCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000297536300 132020960 /nfs/dbraw/zinc/02/09/60/132020960.db2.gz YCHQEAFTFRVQCW-UHFFFAOYSA-N 0 3 320.440 3.725 20 30 DHEDHN Cc1ccccc1NC(=O)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000298407950 132061149 /nfs/dbraw/zinc/06/11/49/132061149.db2.gz LXEITDIODTZBKD-HZPDHXFCSA-N 0 3 321.424 3.935 20 30 DHEDHN C#CCCOc1ccc(CN2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000290295121 335070877 /nfs/dbraw/zinc/07/08/77/335070877.db2.gz ASVJCTPNCDKXQS-IBGZPJMESA-N 0 3 323.440 3.766 20 30 DHEDHN CC(C)(C#N)CCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425548049 335071693 /nfs/dbraw/zinc/07/16/93/335071693.db2.gz JMBYLEAKFCQZQA-HZPDHXFCSA-N 0 3 306.837 3.778 20 30 DHEDHN CCc1ccc([C@H](CNc2ccc(C#N)c(C)n2)N(C)C)cc1 ZINC000487896497 429172018 /nfs/dbraw/zinc/17/20/18/429172018.db2.gz NWBSAWRDDQAOQK-SFHVURJKSA-N 0 3 308.429 3.539 20 30 DHEDHN C#CC[C@@H](N[C@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccccc1 ZINC000292073427 335087680 /nfs/dbraw/zinc/08/76/80/335087680.db2.gz HPFJEQQERPHHMB-OXQOHEQNSA-N 0 3 320.436 3.804 20 30 DHEDHN C=CCC[C@@H](NCc1cnn(CC(F)F)c1)c1ccccc1 ZINC000292617492 335092057 /nfs/dbraw/zinc/09/20/57/335092057.db2.gz INCJXNHHYMZRSO-MRXNPFEDSA-N 0 3 305.372 3.945 20 30 DHEDHN C=CC[C@H](CO)N[C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000186697275 331466274 /nfs/dbraw/zinc/46/62/74/331466274.db2.gz KOKUHIFZTRTQQS-XJKSGUPXSA-N 0 3 316.470 3.630 20 30 DHEDHN Cc1nsc(NC[C@H](c2ccc(Cl)cc2)N(C)C)c1C#N ZINC000557624979 331803731 /nfs/dbraw/zinc/80/37/31/331803731.db2.gz UKLKAIHEWZODQS-CQSZACIVSA-N 0 3 320.849 3.691 20 30 DHEDHN C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)Oc1ccccc1F ZINC000558493440 331912866 /nfs/dbraw/zinc/91/28/66/331912866.db2.gz QMYVCQZNVXAHJC-FZKQIMNGSA-N 0 3 310.372 3.742 20 30 DHEDHN C=CCC(C)(C)CNCc1cnc(-c2ccccc2OC)nc1 ZINC000559308473 332021806 /nfs/dbraw/zinc/02/18/06/332021806.db2.gz NCOZCAXHWNADBB-UHFFFAOYSA-N 0 3 311.429 3.844 20 30 DHEDHN C=CC[C@H](CO)N[C@H](CC)c1cc(F)cc(Br)c1 ZINC000186692927 332941469 /nfs/dbraw/zinc/94/14/69/332941469.db2.gz YEICHEJKOPLDHA-ZIAGYGMSSA-N 0 3 316.214 3.566 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC[C@H]1CC)C(C)C ZINC000410126226 332090284 /nfs/dbraw/zinc/09/02/84/332090284.db2.gz WWCLVZMVRBRHCP-QZTJIDSGSA-N 0 3 321.509 3.659 20 30 DHEDHN C=C(C)COc1cc(CN2CCS[C@H](C)CC2)ccc1OC ZINC000426389111 332107159 /nfs/dbraw/zinc/10/71/59/332107159.db2.gz CSKKNLOGQDETIO-OAHLLOKOSA-N 0 3 321.486 3.978 20 30 DHEDHN CN(CCCC#N)CC1(c2ccc(Br)cc2)CC1 ZINC000152611150 332313630 /nfs/dbraw/zinc/31/36/30/332313630.db2.gz VHMIFCXAPAKLMA-UHFFFAOYSA-N 0 3 307.235 3.716 20 30 DHEDHN COCc1ccc(CNCc2cccc(OCCCC#N)c2)cc1 ZINC000237218508 332324186 /nfs/dbraw/zinc/32/41/86/332324186.db2.gz BASXRCWLERLXLN-UHFFFAOYSA-N 0 3 324.424 3.805 20 30 DHEDHN COc1cc(C)c(CN2CCC(CCC#N)CC2)cc1OC ZINC000564990736 332385747 /nfs/dbraw/zinc/38/57/47/332385747.db2.gz MVQRRNIFDZLIEF-UHFFFAOYSA-N 0 3 302.418 3.528 20 30 DHEDHN C=CCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000560972984 332397540 /nfs/dbraw/zinc/39/75/40/332397540.db2.gz KUIXAEBXVOQKKF-INIZCTEOSA-N 0 3 308.853 3.805 20 30 DHEDHN C[C@@H](NC[C@H](C)Oc1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000561768768 332494738 /nfs/dbraw/zinc/49/47/38/332494738.db2.gz YXPBZDFCZQURHD-QWHCGFSZSA-N 0 3 316.351 3.955 20 30 DHEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)Oc1ccc(F)cc1 ZINC000561768769 332494856 /nfs/dbraw/zinc/49/48/56/332494856.db2.gz YXPBZDFCZQURHD-STQMWFEESA-N 0 3 316.351 3.955 20 30 DHEDHN CC(C)CN(CC(=O)Nc1ccccc1SCC#N)C(C)C ZINC000173199923 333070542 /nfs/dbraw/zinc/07/05/42/333070542.db2.gz XFHDFORMFZISRY-UHFFFAOYSA-N 0 3 319.474 3.607 20 30 DHEDHN CC[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccncc1 ZINC000174435708 333086193 /nfs/dbraw/zinc/08/61/93/333086193.db2.gz WCPWZJAWKXEDNU-LJQANCHMSA-N 0 3 308.429 3.672 20 30 DHEDHN CC(C)(C#N)CCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000174843938 333091478 /nfs/dbraw/zinc/09/14/78/333091478.db2.gz ANAQEPGADUZEJE-MRXNPFEDSA-N 0 3 314.429 3.925 20 30 DHEDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCCC(C)(C)C#N ZINC000175399223 333098441 /nfs/dbraw/zinc/09/84/41/333098441.db2.gz BHOKVFRZTPOMBE-QKKBWIMNSA-N 0 3 306.475 3.747 20 30 DHEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(N(C)C)cc1 ZINC000180554261 333163222 /nfs/dbraw/zinc/16/32/22/333163222.db2.gz UUKSJIFCUIKJAF-OAHLLOKOSA-N 0 3 309.413 3.506 20 30 DHEDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(OCC#N)cc1)[C@@H](C)C2 ZINC000180848639 333165592 /nfs/dbraw/zinc/16/55/92/333165592.db2.gz YKLXNASTGSDUIQ-YWZLYKJASA-N 0 3 306.409 3.921 20 30 DHEDHN C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CN1C1CC1 ZINC000387908910 333184694 /nfs/dbraw/zinc/18/46/94/333184694.db2.gz RLRKKHNDJMCFFY-GXFFZTMASA-N 0 3 309.335 3.614 20 30 DHEDHN C[C@H](c1ccsc1)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000184973429 333203118 /nfs/dbraw/zinc/20/31/18/333203118.db2.gz YRUNVRWKCVEYGM-OAHLLOKOSA-N 0 3 305.491 3.757 20 30 DHEDHN CC(C)CC(=O)Nc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185801424 333214325 /nfs/dbraw/zinc/21/43/25/333214325.db2.gz IRVYTOAINRVVST-DOTOQJQBSA-N 0 3 313.445 3.843 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(Br)c(F)c2)C1 ZINC000185815594 333214648 /nfs/dbraw/zinc/21/46/48/333214648.db2.gz ZJIGHFMMLAYVFL-JQWIXIFHSA-N 0 3 311.198 3.760 20 30 DHEDHN Cc1cc(C)n(-c2ccccc2CN[C@H]2CCC[C@H](C#N)C2)n1 ZINC000185856071 333215068 /nfs/dbraw/zinc/21/50/68/333215068.db2.gz RAYTWHYFDCCSPG-WMZOPIPTSA-N 0 3 308.429 3.661 20 30 DHEDHN CC1(C)[C@@H](C(F)(F)F)CCN1CCOc1ccc(C#N)cc1 ZINC000318980988 333238221 /nfs/dbraw/zinc/23/82/21/333238221.db2.gz IMUVUVKEBIYUFJ-AWEZNQCLSA-N 0 3 312.335 3.600 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000185342614 335129075 /nfs/dbraw/zinc/12/90/75/335129075.db2.gz FRHSTIXGOSOMDD-HNNXBMFYSA-N 0 3 320.502 3.679 20 30 DHEDHN COc1ccc(CCCN(C)Cc2ccc(C#N)cc2F)cc1 ZINC000497477537 333254902 /nfs/dbraw/zinc/25/49/02/333254902.db2.gz VLYOTGWMGZVSCS-UHFFFAOYSA-N 0 3 312.388 3.771 20 30 DHEDHN C=CCC1(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)CCC1 ZINC000364213433 333273424 /nfs/dbraw/zinc/27/34/24/333273424.db2.gz LKBQPBPOGADGLB-ZBFHGGJFSA-N 0 3 318.486 3.604 20 30 DHEDHN C=CC[C@H](C)NCc1cc(OC)c(OC)cc1Br ZINC000116927694 333282868 /nfs/dbraw/zinc/28/28/68/333282868.db2.gz LAIDBVUMLUBTKD-JTQLQIEISA-N 0 3 314.223 3.521 20 30 DHEDHN COc1cc(C)c([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000192670964 333291136 /nfs/dbraw/zinc/29/11/36/333291136.db2.gz ATCXHMSIWHAPQK-QLFBSQMISA-N 0 3 302.418 3.745 20 30 DHEDHN C[C@@H]([C@H](C)NCC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000185516621 335137766 /nfs/dbraw/zinc/13/77/66/335137766.db2.gz DPRAMLOKJBLTHW-STQMWFEESA-N 0 3 319.474 3.753 20 30 DHEDHN C[C@@H](Nc1cccc(OCCN(C)C)c1)c1cccc(C#N)c1 ZINC000319740631 333401373 /nfs/dbraw/zinc/40/13/73/333401373.db2.gz SIRAVRXJKVNUGM-OAHLLOKOSA-N 0 3 309.413 3.672 20 30 DHEDHN Cc1nn(-c2ccccc2)cc1CN1CCC(CCC#N)CC1 ZINC000563158262 333402491 /nfs/dbraw/zinc/40/24/91/333402491.db2.gz OUDHBJISTVEMON-UHFFFAOYSA-N 0 3 308.429 3.697 20 30 DHEDHN C#CCOc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000296349085 335143637 /nfs/dbraw/zinc/14/36/37/335143637.db2.gz IGDBQTBAWDTLPH-HXUWFJFHSA-N 0 3 307.393 3.571 20 30 DHEDHN C[C@@H](Nc1c(F)cc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000571054547 333496370 /nfs/dbraw/zinc/49/63/70/333496370.db2.gz SNDDNZGCVJUFCI-KZULUSFZSA-N 0 3 315.367 3.940 20 30 DHEDHN CCCOc1ccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000339070596 333508069 /nfs/dbraw/zinc/50/80/69/333508069.db2.gz PJEAKJAPSQTCSJ-DZKIICNBSA-N 0 3 302.418 3.827 20 30 DHEDHN C=CCOc1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1 ZINC000161003655 333780000 /nfs/dbraw/zinc/78/00/00/333780000.db2.gz RLJBVPVZSZUFIC-UHFFFAOYSA-N 0 3 310.397 3.565 20 30 DHEDHN C=C[C@@](C)(CC)c1nc(-c2ccccc2OCCN(C)C)no1 ZINC000571600271 333819226 /nfs/dbraw/zinc/81/92/26/333819226.db2.gz PPHIWUZSAQHLPN-SFHVURJKSA-N 0 3 315.417 3.531 20 30 DHEDHN N#C[C@H]1CC[C@H](NCc2cc(Cl)cc(Br)c2)C1 ZINC000414243501 333919215 /nfs/dbraw/zinc/91/92/15/333919215.db2.gz OYCVTKOQPVDDDT-ZANVPECISA-N 0 3 313.626 3.884 20 30 DHEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(C(=O)OC)co1 ZINC000414312221 333937610 /nfs/dbraw/zinc/93/76/10/333937610.db2.gz ZIUULNZVAQXLCT-YOEHRIQHSA-N 0 3 313.397 3.904 20 30 DHEDHN C=C(C)COc1cc(CN[C@@H](C)C2(OC)CCC2)ccc1OC ZINC000414518963 334005308 /nfs/dbraw/zinc/00/53/08/334005308.db2.gz AMUWRHVEWZUDAK-HNNXBMFYSA-N 0 3 319.445 3.697 20 30 DHEDHN C#CC[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000270165712 334008416 /nfs/dbraw/zinc/00/84/16/334008416.db2.gz GMXAGTSHIBWWRW-OAQYLSRUSA-N 0 3 317.436 3.891 20 30 DHEDHN N#CCc1ccc(CN2CCC(OCC3CCCC3)CC2)cc1 ZINC000343536646 335170427 /nfs/dbraw/zinc/17/04/27/335170427.db2.gz LEZIFTNQKBLKTE-UHFFFAOYSA-N 0 3 312.457 3.924 20 30 DHEDHN COC[C@@H](NC1CCC(C#N)(c2ccccc2)CC1)c1ccco1 ZINC000271073008 334017842 /nfs/dbraw/zinc/01/78/42/334017842.db2.gz MUROWTOXZLWHDZ-QPIRBTGLSA-N 0 3 324.424 3.961 20 30 DHEDHN COc1cccc(CN(CCC(C)(C)C#N)C[C@H]2CCCO2)c1 ZINC000271996886 334029484 /nfs/dbraw/zinc/02/94/84/334029484.db2.gz GFZMWROLOOAKHQ-GOSISDBHSA-N 0 3 316.445 3.616 20 30 DHEDHN COc1ccc2c(c1)[C@@H](NC1(c3cccc(C#N)c3)CC1)CC2 ZINC000272170151 334031338 /nfs/dbraw/zinc/03/13/38/334031338.db2.gz DEPCATPBSIDBCO-IBGZPJMESA-N 0 3 304.393 3.833 20 30 DHEDHN CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000272589461 334037903 /nfs/dbraw/zinc/03/79/03/334037903.db2.gz HOXCDRUCSXXNGL-QGZVFWFLSA-N 0 3 319.449 3.658 20 30 DHEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000273251083 334044776 /nfs/dbraw/zinc/04/47/76/334044776.db2.gz RPNFAFDAEBXAPN-CYBMUJFWSA-N 0 3 301.434 3.593 20 30 DHEDHN Cc1c(Cl)cnc(NC[C@H](c2cccs2)N(C)C)c1C#N ZINC000343526668 335174973 /nfs/dbraw/zinc/17/49/73/335174973.db2.gz KTOWUCABNMFCNF-CYBMUJFWSA-N 0 3 320.849 3.691 20 30 DHEDHN CCc1ccc([C@@H](O)CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000276426635 334077907 /nfs/dbraw/zinc/07/79/07/334077907.db2.gz OUCBVUJBJUGYOJ-YWZLYKJASA-N 0 3 324.424 3.536 20 30 DHEDHN CC(C)[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280434573 334117459 /nfs/dbraw/zinc/11/74/59/334117459.db2.gz MPBYMWKGPRQBNH-RBUKOAKNSA-N 0 3 323.440 3.525 20 30 DHEDHN Cc1cc(C)c2c(c1)CN(CCCC1(C#N)CCOCC1)CC2 ZINC000281301438 334124724 /nfs/dbraw/zinc/12/47/24/334124724.db2.gz JWYYDTKFHCXQAE-UHFFFAOYSA-N 0 3 312.457 3.762 20 30 DHEDHN CC1=CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000281853518 334129198 /nfs/dbraw/zinc/12/91/98/334129198.db2.gz SHTJOOSRNSHPIZ-UHFFFAOYSA-N 0 3 306.413 3.616 20 30 DHEDHN C[C@H](c1ccco1)N(CCCC1(C#N)CCOCC1)C1CC1 ZINC000282132360 334131822 /nfs/dbraw/zinc/13/18/22/334131822.db2.gz YXZWQLJYSDLCFI-OAHLLOKOSA-N 0 3 302.418 3.906 20 30 DHEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CCCCC(C)(C)C#N ZINC000283806693 334141516 /nfs/dbraw/zinc/14/15/16/334141516.db2.gz WQAGYGLBVHOWDI-SJORKVTESA-N 0 3 312.461 3.760 20 30 DHEDHN CN(CCC#N)c1ccc(CN2CCC[C@H]2c2ccncc2)cc1 ZINC000289666720 334167126 /nfs/dbraw/zinc/16/71/26/334167126.db2.gz DDSAGHQAFCEIEV-FQEVSTJZSA-N 0 3 320.440 3.769 20 30 DHEDHN COc1ccc(CNCCSC(C)C)cc1OCCCC#N ZINC000290113791 334171048 /nfs/dbraw/zinc/17/10/48/334171048.db2.gz LJXIYGAXJGVGNE-UHFFFAOYSA-N 0 3 322.474 3.609 20 30 DHEDHN Cc1ccc(NC(=O)C(C#N)c2nc3ccccc3s2)s1 ZINC000340366611 334176101 /nfs/dbraw/zinc/17/61/01/334176101.db2.gz QDOGMTOVMSRSJO-JTQLQIEISA-N 0 3 313.407 3.912 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC000293893779 334203136 /nfs/dbraw/zinc/20/31/36/334203136.db2.gz ZHHWVODZYPHETA-NMLACTOBSA-N 0 3 306.409 3.743 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc3c(c2)CCCN3)cc1 ZINC000414969333 334218131 /nfs/dbraw/zinc/21/81/31/334218131.db2.gz FARFSJMHQWALTM-UHFFFAOYSA-N 0 3 308.425 3.899 20 30 DHEDHN CC[C@@H]1CCCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000295590670 334225531 /nfs/dbraw/zinc/22/55/31/334225531.db2.gz DGWZPCLKRZYIRW-CEXWTWQISA-N 0 3 323.440 3.573 20 30 DHEDHN N#C[C@H]1CC[C@@H](N2CCCN(c3ccccc3Cl)CC2)C1 ZINC000296123395 334230081 /nfs/dbraw/zinc/23/00/81/334230081.db2.gz YOQFNJXSLBHVKC-LSDHHAIUSA-N 0 3 303.837 3.544 20 30 DHEDHN COc1ccc2c(c1)C[C@@H](N[C@H](CCC#N)c1ccccc1)CO2 ZINC000296657386 334235812 /nfs/dbraw/zinc/23/58/12/334235812.db2.gz DWXNCVOHJSPHDP-IEBWSBKVSA-N 0 3 322.408 3.633 20 30 DHEDHN C=CCN1CC[C@H](N(C)[C@H](C)c2cccc3ccccc32)C1=O ZINC000531949939 334303885 /nfs/dbraw/zinc/30/38/85/334303885.db2.gz VVTCTXAHLBWEMW-BEFAXECRSA-N 0 3 308.425 3.620 20 30 DHEDHN C=CCOc1ccccc1C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000534705330 334328684 /nfs/dbraw/zinc/32/86/84/334328684.db2.gz KHFYZXVUUQFEPP-UHFFFAOYSA-N 0 3 324.424 3.874 20 30 DHEDHN Cc1cnc(CNC2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000535071493 334364253 /nfs/dbraw/zinc/36/42/53/334364253.db2.gz GSGWZXXNHYCECM-UHFFFAOYSA-N 0 3 311.454 3.945 20 30 DHEDHN CCN(CC)[C@@H](CNc1cc(C)nc(C#N)c1)c1ccsc1 ZINC000341530293 334454993 /nfs/dbraw/zinc/45/49/93/334454993.db2.gz WGUDYLSKCYZOMW-KRWDZBQOSA-N 0 3 314.458 3.818 20 30 DHEDHN C=CC[C@H](CO)CN[C@@H](CC)c1ccccc1Br ZINC000341878793 334489175 /nfs/dbraw/zinc/48/91/75/334489175.db2.gz SOMYNHOTBALTTF-WFASDCNBSA-N 0 3 312.251 3.674 20 30 DHEDHN CCN(CC)C(=O)Nc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000342475674 334544914 /nfs/dbraw/zinc/54/49/14/334544914.db2.gz YEGOPMYPVWKTPX-CQSZACIVSA-N 0 3 302.422 3.515 20 30 DHEDHN CC(C)(CC#N)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417329115 334709185 /nfs/dbraw/zinc/70/91/85/334709185.db2.gz CYCOQDIZUNPVSY-INIZCTEOSA-N 0 3 301.390 3.892 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000328773577 334753354 /nfs/dbraw/zinc/75/33/54/334753354.db2.gz RVGNBBWSDIBTLS-UHFFFAOYSA-N 0 3 317.433 3.677 20 30 DHEDHN CCCOc1ccc(CNCc2cccc(C#N)c2)cc1OC ZINC000075772548 334911632 /nfs/dbraw/zinc/91/16/32/334911632.db2.gz OHAYXGGMJYWKKG-UHFFFAOYSA-N 0 3 310.397 3.645 20 30 DHEDHN CC[C@@H](C)CN(CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343708753 335189644 /nfs/dbraw/zinc/18/96/44/335189644.db2.gz LIKBFSFESXDMMD-IAGOWNOFSA-N 0 3 315.461 3.690 20 30 DHEDHN C[C@H](NCc1cccc(-n2ccnc2)c1)c1ccc(C#N)cc1 ZINC000344090521 335217010 /nfs/dbraw/zinc/21/70/10/335217010.db2.gz CHJPTQKECUGAAD-HNNXBMFYSA-N 0 3 302.381 3.595 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000344252188 335232653 /nfs/dbraw/zinc/23/26/53/335232653.db2.gz AYMMKSYLDQBULS-CVEARBPZSA-N 0 3 323.506 3.785 20 30 DHEDHN CO[C@@H](CNCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000344735231 335272207 /nfs/dbraw/zinc/27/22/07/335272207.db2.gz APELNYAIDLZUBC-KRWDZBQOSA-N 0 3 300.789 3.689 20 30 DHEDHN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)C(C)C#N)cc1 ZINC000345625905 335337848 /nfs/dbraw/zinc/33/78/48/335337848.db2.gz JPWMAVJWYSFREW-KXBFYZLASA-N 0 3 321.424 3.742 20 30 DHEDHN CO[C@H](c1ccccc1F)[C@H](C)NCc1cc(C#N)cs1 ZINC000345690033 335342263 /nfs/dbraw/zinc/34/22/63/335342263.db2.gz GMLLZGQYOFGQRO-ZBEGNZNMSA-N 0 3 304.390 3.625 20 30 DHEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000346019174 335365940 /nfs/dbraw/zinc/36/59/40/335365940.db2.gz VBDPUFRPOBRBME-GJZGRUSLSA-N 0 3 321.490 3.539 20 30 DHEDHN COc1cc(C#N)ccc1CN1CCC(c2ccc(O)cc2)CC1 ZINC000347219814 335480889 /nfs/dbraw/zinc/48/08/89/335480889.db2.gz BLZGJOBHVQTSTK-UHFFFAOYSA-N 0 3 322.408 3.652 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2SC)CC1 ZINC000106316199 335797996 /nfs/dbraw/zinc/79/79/96/335797996.db2.gz MFTAIERGILLWTQ-UHFFFAOYSA-N 0 3 319.474 3.571 20 30 DHEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H](C)CCC2CC2)C1 ZINC000329937670 336097195 /nfs/dbraw/zinc/09/71/95/336097195.db2.gz DRLIWBTXFOVWCP-GOEBONIOSA-N 0 3 318.465 3.575 20 30 DHEDHN C[C@@H](CN1CCCCC1)NC(=O)c1coc(C2CCCC2)n1 ZINC000329954409 336099487 /nfs/dbraw/zinc/09/94/87/336099487.db2.gz KCCHMGXKLKPFQR-ZDUSSCGKSA-N 0 3 305.422 3.511 20 30 DHEDHN Cc1ccnc(-c2cccc(NC(=O)CN3[C@@H](C)CC[C@@H]3C)c2)n1 ZINC000329964748 336100691 /nfs/dbraw/zinc/10/06/91/336100691.db2.gz UBFDFVVSSQUBMT-GJZGRUSLSA-N 0 3 324.428 3.913 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)NC1CCCCCC1 ZINC000330162670 336119589 /nfs/dbraw/zinc/11/95/89/336119589.db2.gz SJRIICKVXAUKHU-IRXDYDNUSA-N 0 3 310.482 3.849 20 30 DHEDHN N#Cc1csc(CNCC2(Cc3ccccc3)CCCC2)n1 ZINC000352796314 336237649 /nfs/dbraw/zinc/23/76/49/336237649.db2.gz KVFZINLRULANPX-UHFFFAOYSA-N 0 3 311.454 3.907 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@H](C)c1ccccc1 ZINC000532518260 336253404 /nfs/dbraw/zinc/25/34/04/336253404.db2.gz YJGRQMOKHOKPTP-DLBZAZTESA-N 0 3 302.462 3.535 20 30 DHEDHN N#C[C@H]1CCC[C@H](NCc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000192750065 336260375 /nfs/dbraw/zinc/26/03/75/336260375.db2.gz HPXJLXPRYIHMPA-RDJZCZTQSA-N 0 3 323.396 3.704 20 30 DHEDHN C[C@H](N[C@@H]1CCOc2ccccc21)c1ccc(OCC#N)cc1 ZINC000193002605 336286865 /nfs/dbraw/zinc/28/68/65/336286865.db2.gz NWRNMOYYEDBJJZ-KBXCAEBGSA-N 0 3 308.381 3.763 20 30 DHEDHN C=C(C)CN1CCC(Nc2ncnc3cc(Cl)ccc32)CC1 ZINC000301182525 336293753 /nfs/dbraw/zinc/29/37/53/336293753.db2.gz PVWBTRAOMCAHSE-UHFFFAOYSA-N 0 3 316.836 3.736 20 30 DHEDHN CN(C)[C@@H](CNc1c(Cl)cccc1C#N)c1cccs1 ZINC000301201127 336294740 /nfs/dbraw/zinc/29/47/40/336294740.db2.gz MUZHNACLQOCFEL-ZDUSSCGKSA-N 0 3 305.834 3.988 20 30 DHEDHN N#Cc1cnc2ccccc2c1N1CCN(C2CCCCC2)CC1 ZINC000301715300 336325161 /nfs/dbraw/zinc/32/51/61/336325161.db2.gz MOTPCUZAGHOREV-UHFFFAOYSA-N 0 3 320.440 3.561 20 30 DHEDHN CC(=O)c1ccc(C#N)cc1NC[C@H](c1ccc(C)cc1)N(C)C ZINC000302093521 336348200 /nfs/dbraw/zinc/34/82/00/336348200.db2.gz IDTYGBOKOFSUDG-HXUWFJFHSA-N 0 3 321.424 3.784 20 30 DHEDHN CC1=CCN(CCNc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000302168021 336352072 /nfs/dbraw/zinc/35/20/72/336352072.db2.gz SICHLFQQYBAVCJ-UHFFFAOYSA-N 0 3 309.335 3.641 20 30 DHEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(O)CCC(C)CC1 ZINC000352957909 336379286 /nfs/dbraw/zinc/37/92/86/336379286.db2.gz WDGWRTUPKMUOHM-UHFFFAOYSA-N 0 3 319.493 3.783 20 30 DHEDHN CC/C=C/CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000353027989 336380584 /nfs/dbraw/zinc/38/05/84/336380584.db2.gz YSYPOAJTOCVWGH-ONEGZZNKSA-N 0 3 302.393 3.897 20 30 DHEDHN C=CCc1cc(CNCc2ccc(F)cc2)cc(OC)c1OC ZINC000105478295 336387633 /nfs/dbraw/zinc/38/76/33/336387633.db2.gz BSOKWLMJPMKONF-UHFFFAOYSA-N 0 3 315.388 3.861 20 30 DHEDHN CC[C@H](NCc1cc(C#N)cs1)c1ccc(OC)c(OC)c1 ZINC000353043742 336389245 /nfs/dbraw/zinc/38/92/45/336389245.db2.gz CQPBDRLPPXUWIM-HNNXBMFYSA-N 0 3 316.426 3.878 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000113317533 336400677 /nfs/dbraw/zinc/40/06/77/336400677.db2.gz FOTCXMSCIFPINL-OAHLLOKOSA-N 0 3 322.408 3.508 20 30 DHEDHN CCOc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccc1OC ZINC000353236342 336407657 /nfs/dbraw/zinc/40/76/57/336407657.db2.gz CRRTXYNSPZDWDN-GOSISDBHSA-N 0 3 322.408 3.743 20 30 DHEDHN Cc1c(CN[C@@H]2CCc3ccc(C#N)cc32)cccc1[N+](=O)[O-] ZINC000353597681 336427656 /nfs/dbraw/zinc/42/76/56/336427656.db2.gz QUCDBEIPKDZYHM-QGZVFWFLSA-N 0 3 307.353 3.552 20 30 DHEDHN CCSc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353597699 336427699 /nfs/dbraw/zinc/42/76/99/336427699.db2.gz QVGYRIJCGQCAFE-QGZVFWFLSA-N 0 3 309.438 3.842 20 30 DHEDHN C[C@H](NC[C@]1(CO)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000353664302 336432892 /nfs/dbraw/zinc/43/28/92/336432892.db2.gz WAIFCSNQTXDDNY-DCPHZVHLSA-N 0 3 324.399 3.514 20 30 DHEDHN C=C(CNCc1ccc(Cl)cc1-n1cncn1)c1ccccc1 ZINC000354175851 336462389 /nfs/dbraw/zinc/46/23/89/336462389.db2.gz TWROQNFJASJJLX-UHFFFAOYSA-N 0 3 324.815 3.724 20 30 DHEDHN C=CCCC1(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 ZINC000354546134 336474203 /nfs/dbraw/zinc/47/42/03/336474203.db2.gz JBVYHSYBGJBWSB-MRXNPFEDSA-N 0 3 320.502 3.994 20 30 DHEDHN C=CCCOCCN[C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000358357627 336626068 /nfs/dbraw/zinc/62/60/68/336626068.db2.gz QRSASHREUMSEIG-SFHVURJKSA-N 0 3 301.430 3.571 20 30 DHEDHN C[C@H](CNCc1cccc(OCCCC#N)c1)C(F)(F)F ZINC000359118727 336658765 /nfs/dbraw/zinc/65/87/65/336658765.db2.gz AGKVPXIGBQVMGB-GFCCVEGCSA-N 0 3 300.324 3.657 20 30 DHEDHN C=CCOc1ccc(CNC[C@@H](C)C(F)(F)F)cc1OC ZINC000359122855 336658999 /nfs/dbraw/zinc/65/89/99/336658999.db2.gz HRQPBMUIUOJCRX-LLVKDONJSA-N 0 3 303.324 3.548 20 30 DHEDHN C[C@H](NCCn1ccnc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367785724 336829700 /nfs/dbraw/zinc/82/97/00/336829700.db2.gz WIJMRPXQFUWUDN-INIZCTEOSA-N 0 3 316.408 3.773 20 30 DHEDHN C=CCC[C@@H](O)CN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000122968783 337031182 /nfs/dbraw/zinc/03/11/82/337031182.db2.gz ATGNGZFLVJKTOJ-MRXNPFEDSA-N 0 3 314.404 3.723 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000376956901 337044185 /nfs/dbraw/zinc/04/41/85/337044185.db2.gz TYTGXMDUBCZESY-HZUJVAHNSA-N 0 3 321.420 3.570 20 30 DHEDHN CC(=O)N1CC[C@@H](N[C@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000378447441 337073134 /nfs/dbraw/zinc/07/31/34/337073134.db2.gz AMJNOPXUHGBMFD-AUUYWEPGSA-N 0 3 319.408 3.707 20 30 DHEDHN N#CCCCN[C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000360023097 337083897 /nfs/dbraw/zinc/08/38/97/337083897.db2.gz RFCXMUDHQVGKHV-XHDPSFHLSA-N 0 3 313.228 3.964 20 30 DHEDHN C#CCCOc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000172114386 337089848 /nfs/dbraw/zinc/08/98/48/337089848.db2.gz UDYVUHCXIUYGTK-OAHLLOKOSA-N 0 3 324.380 3.848 20 30 DHEDHN CC(C)N(Cc1ccc(Br)cc1C#N)CC1CC1 ZINC000394100873 337100071 /nfs/dbraw/zinc/10/00/71/337100071.db2.gz ULJRWUQOHWBFFL-UHFFFAOYSA-N 0 3 307.235 3.941 20 30 DHEDHN N#C[C@@H]1CC[C@H](NC[C@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000582719048 337124770 /nfs/dbraw/zinc/12/47/70/337124770.db2.gz QURPCWTWHDJUEY-RVKKMQEKSA-N 0 3 317.864 3.759 20 30 DHEDHN C[C@H](NCc1ccc(-n2ccnc2)c(F)c1)c1cccc(C#N)c1 ZINC000174431119 337141881 /nfs/dbraw/zinc/14/18/81/337141881.db2.gz ZGADIUVSYGNLQY-AWEZNQCLSA-N 0 3 320.371 3.734 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000177027931 337154082 /nfs/dbraw/zinc/15/40/82/337154082.db2.gz VWIRKYDVPSSPCJ-HNNXBMFYSA-N 0 3 323.358 3.558 20 30 DHEDHN COC[C@@H](C)N(C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000179371698 337167449 /nfs/dbraw/zinc/16/74/49/337167449.db2.gz LBPCYCBOOPGDTG-MRXNPFEDSA-N 0 3 324.424 3.604 20 30 DHEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000179373569 337167479 /nfs/dbraw/zinc/16/74/79/337167479.db2.gz GCSBUENZYPUUID-ZIAGYGMSSA-N 0 3 306.475 3.605 20 30 DHEDHN C=CCN1CCC(NC(=O)/C(C)=C/c2cccc(Cl)c2)CC1 ZINC000179344224 337168606 /nfs/dbraw/zinc/16/86/06/337168606.db2.gz MPXDVMFZGKFDKQ-WYMLVPIESA-N 0 3 318.848 3.510 20 30 DHEDHN C[C@@H](NCc1cn(C)nc1-c1ccccc1)c1ccc(C#N)cc1 ZINC000181035129 337179365 /nfs/dbraw/zinc/17/93/65/337179365.db2.gz WROPKMRDRZUSOE-OAHLLOKOSA-N 0 3 316.408 3.810 20 30 DHEDHN CC[C@@]1(CNCc2cc(C#N)cs2)OCCc2ccccc21 ZINC000582933942 337216074 /nfs/dbraw/zinc/21/60/74/337216074.db2.gz SCURYIQNHIEGQO-SFHVURJKSA-N 0 3 312.438 3.588 20 30 DHEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(OC(F)(F)F)c1 ZINC000191302252 337295816 /nfs/dbraw/zinc/29/58/16/337295816.db2.gz OLSNCMQHLBZRNC-LLVKDONJSA-N 0 3 323.318 3.646 20 30 DHEDHN Cc1nccn1-c1ccc([C@H](C)NCc2cccc(C#N)c2)cc1 ZINC000086279070 337310277 /nfs/dbraw/zinc/31/02/77/337310277.db2.gz UEQKQMRXOJRRHB-HNNXBMFYSA-N 0 3 316.408 3.903 20 30 DHEDHN C=C(C)CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000103479342 337386652 /nfs/dbraw/zinc/38/66/52/337386652.db2.gz TYNUNSTYKHSQHT-CQSZACIVSA-N 0 3 301.365 3.631 20 30 DHEDHN C=C(Cl)CN(CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000121590879 337396482 /nfs/dbraw/zinc/39/64/82/337396482.db2.gz DXOJIRBDRADXEK-UHFFFAOYSA-N 0 3 322.884 3.527 20 30 DHEDHN C[C@H](NCC1(CO)CC2(CCC2)C1)c1ccc(C#N)cc1Cl ZINC000564032397 337448124 /nfs/dbraw/zinc/44/81/24/337448124.db2.gz IMSQGKWNQQQOIQ-ZDUSSCGKSA-N 0 3 318.848 3.805 20 30 DHEDHN CO[C@@H]1CCCC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000429520599 337524697 /nfs/dbraw/zinc/52/46/97/337524697.db2.gz DGCWKGKGRROKTK-JKSUJKDBSA-N 0 3 311.347 3.604 20 30 DHEDHN C=CCCN1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000269268811 337636275 /nfs/dbraw/zinc/63/62/75/337636275.db2.gz HYZLBYJWSLSBNN-UHFFFAOYSA-N 0 3 306.475 3.641 20 30 DHEDHN C#CC[C@@H](N[C@H](C)CC(=O)Nc1ccccc1)c1ccccc1 ZINC000271334006 337643972 /nfs/dbraw/zinc/64/39/72/337643972.db2.gz WENAMGKQDFMUGZ-VQIMIIECSA-N 0 3 306.409 3.758 20 30 DHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCN(C)C ZINC000276408917 337664743 /nfs/dbraw/zinc/66/47/43/337664743.db2.gz LXMGOOFNMRRXAE-UHFFFAOYSA-N 0 3 303.450 3.564 20 30 DHEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000276791513 337665484 /nfs/dbraw/zinc/66/54/84/337665484.db2.gz SVVUCYDITVLCFV-IHRRRGAJSA-N 0 3 315.417 3.997 20 30 DHEDHN Cc1nc(CN)ccc1[C@@H](C)Nc1cccc(OCCCC#N)c1 ZINC000423027749 337696281 /nfs/dbraw/zinc/69/62/81/337696281.db2.gz PRBAUQRBIUZQAG-CQSZACIVSA-N 0 3 324.428 3.704 20 30 DHEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3cc(N)ccc31)CC2 ZINC000423376711 337717355 /nfs/dbraw/zinc/71/73/55/337717355.db2.gz YLOQZCDWDIRPGU-WOJBJXKFSA-N 0 3 303.409 3.795 20 30 DHEDHN Cc1ccc(Oc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)cc1 ZINC000424075293 337731207 /nfs/dbraw/zinc/73/12/07/337731207.db2.gz JFBSEBLKQRCPAM-SFHVURJKSA-N 0 3 323.396 3.747 20 30 DHEDHN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H](N)CCCC#N ZINC000424119655 337743611 /nfs/dbraw/zinc/74/36/11/337743611.db2.gz GANALTHWXRIBNY-CVEARBPZSA-N 0 3 321.852 3.517 20 30 DHEDHN N#Cc1csc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1 ZINC000527749370 337761221 /nfs/dbraw/zinc/76/12/21/337761221.db2.gz JNIMDBWTFKYVIE-ARFHVFGLSA-N 0 3 300.814 3.701 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c(F)c1 ZINC000527752129 337761527 /nfs/dbraw/zinc/76/15/27/337761527.db2.gz YXSJZWSZLYWJDQ-BPQIPLTHSA-N 0 3 312.775 3.779 20 30 DHEDHN Cc1sccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000527808347 337765347 /nfs/dbraw/zinc/76/53/47/337765347.db2.gz GNDPKJGJAJQZPT-UHFFFAOYSA-N 0 3 312.438 3.724 20 30 DHEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OCC(C)C ZINC000424189257 337803196 /nfs/dbraw/zinc/80/31/96/337803196.db2.gz DBPJRIPANYUOEI-GOEBONIOSA-N 0 3 302.418 3.512 20 30 DHEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(-c2ccccc2Cl)n1 ZINC000424190267 337803851 /nfs/dbraw/zinc/80/38/51/337803851.db2.gz FSTJFPWTMCDRHO-GXTWGEPZSA-N 0 3 314.820 3.522 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000424198488 337807791 /nfs/dbraw/zinc/80/77/91/337807791.db2.gz PLGUECVEXIAEAI-GXTWGEPZSA-N 0 3 311.341 3.637 20 30 DHEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2c2ccccc2Cl)nn1 ZINC000424292068 337816304 /nfs/dbraw/zinc/81/63/04/337816304.db2.gz GAFFBLHRWHSPJY-WBVHZDCISA-N 0 3 316.836 3.543 20 30 DHEDHN Cc1nc(-c2cccnc2)sc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424326980 337821470 /nfs/dbraw/zinc/82/14/70/337821470.db2.gz MHPKHCSZVMYAMY-OSAQELSMSA-N 0 3 312.442 3.856 20 30 DHEDHN C[C@H](NCCOc1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000537407181 337933638 /nfs/dbraw/zinc/93/36/38/337933638.db2.gz JBXQBHKZPZOERY-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN C[C@@H](O)CN(CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC000516255214 338009052 /nfs/dbraw/zinc/00/90/52/338009052.db2.gz LYVDMBWJGWBEAJ-QGZVFWFLSA-N 0 3 300.446 3.734 20 30 DHEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@@H]1OCCc2sccc21 ZINC000426341552 338027859 /nfs/dbraw/zinc/02/78/59/338027859.db2.gz CUWGCXYFUPOXGO-KHDYIWLOSA-N 0 3 324.449 3.899 20 30 DHEDHN C=CCOc1ccccc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000428404768 338050439 /nfs/dbraw/zinc/05/04/39/338050439.db2.gz WDKFLHLOBHVYCX-GOSISDBHSA-N 0 3 301.430 3.642 20 30 DHEDHN C=CCN(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000428789249 338061023 /nfs/dbraw/zinc/06/10/23/338061023.db2.gz YGJNDUBRXOODBO-NRFANRHFSA-N 0 3 321.468 3.734 20 30 DHEDHN C[C@H](NCc1ccc(CC#N)cc1)[C@H]1OCCc2sccc21 ZINC000429129005 338071485 /nfs/dbraw/zinc/07/14/85/338071485.db2.gz CVDBEZUPGSGIHK-SCLBCKFNSA-N 0 3 312.438 3.606 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000429833706 338090838 /nfs/dbraw/zinc/09/08/38/338090838.db2.gz ZRDPBYJXTWUEIK-QGZVFWFLSA-N 0 3 302.462 3.570 20 30 DHEDHN CCCCOc1ccc(CNCC2(CC#N)CC2)cc1OC ZINC000430022940 338093715 /nfs/dbraw/zinc/09/37/15/338093715.db2.gz PLEKDYQIZOTVLX-UHFFFAOYSA-N 0 3 302.418 3.658 20 30 DHEDHN CCOc1cc(CNCC2(CC#N)CC2)ccc1OCC(C)C ZINC000430037737 338094136 /nfs/dbraw/zinc/09/41/36/338094136.db2.gz UCPJCXURAKRZHN-UHFFFAOYSA-N 0 3 316.445 3.904 20 30 DHEDHN Cc1cc(C)c(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000430176581 338099829 /nfs/dbraw/zinc/09/98/29/338099829.db2.gz IIDOBRTVPCBDJE-LJQANCHMSA-N 0 3 321.424 3.532 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNc1c(C#N)cccc1C#N)C(C)C ZINC000430523613 338108074 /nfs/dbraw/zinc/10/80/74/338108074.db2.gz ZJKFBTQBQGOVOD-SFHVURJKSA-N 0 3 308.429 3.540 20 30 DHEDHN COc1ccc(C(=O)C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430631560 338110197 /nfs/dbraw/zinc/11/01/97/338110197.db2.gz UVLADANMMMSUFW-CYBMUJFWSA-N 0 3 314.410 3.939 20 30 DHEDHN C=CCN(Cc1ccccc1)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000431771673 338138448 /nfs/dbraw/zinc/13/84/48/338138448.db2.gz OVJLXXHIRKVPSP-HXUWFJFHSA-N 0 3 322.452 3.894 20 30 DHEDHN Cc1ccccc1NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433014185 338176294 /nfs/dbraw/zinc/17/62/94/338176294.db2.gz CKBWBVWTKYQJDA-IBGZPJMESA-N 0 3 321.424 3.958 20 30 DHEDHN Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)ccc1F ZINC000433229358 338186815 /nfs/dbraw/zinc/18/68/15/338186815.db2.gz DDNWOFFSTBYCOT-QGZVFWFLSA-N 0 3 310.372 3.523 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000433299446 338190316 /nfs/dbraw/zinc/19/03/16/338190316.db2.gz BTVBTWKODIRVTE-UXHICEINSA-N 0 3 318.420 3.775 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(C1)CCCCC2 ZINC000433366791 338193918 /nfs/dbraw/zinc/19/39/18/338193918.db2.gz OSPKFQUHGPLVHH-SFHVURJKSA-N 0 3 310.441 3.942 20 30 DHEDHN N#Cc1cccc(OCCN2CCC(F)(c3ccccc3)CC2)c1 ZINC000434501219 338218659 /nfs/dbraw/zinc/21/86/59/338218659.db2.gz VTAVRRSRJFCRQR-UHFFFAOYSA-N 0 3 324.399 3.898 20 30 DHEDHN Cc1cccc(C)c1OC[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000435466299 338240968 /nfs/dbraw/zinc/24/09/68/338240968.db2.gz UJTVIGPZQRTIBQ-FUHWJXTLSA-N 0 3 322.408 3.699 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(Cl)c1OCC ZINC000435725214 338246303 /nfs/dbraw/zinc/24/63/03/338246303.db2.gz FSJDLILJBZTYBQ-HOCLYGCPSA-N 0 3 309.837 3.810 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1sccc1Br ZINC000435732808 338246874 /nfs/dbraw/zinc/24/68/74/338246874.db2.gz QVJQDCDTXINKIU-GWCFXTLKSA-N 0 3 316.264 3.581 20 30 DHEDHN C=CCCOCCNCc1ccc(N(C)c2ccccc2)nc1 ZINC000435792794 338249556 /nfs/dbraw/zinc/24/95/56/338249556.db2.gz XDLLJAZBTQKPJG-UHFFFAOYSA-N 0 3 311.429 3.532 20 30 DHEDHN C=CCCCCCN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000435887575 338251855 /nfs/dbraw/zinc/25/18/55/338251855.db2.gz CHOSHRFFZAATEW-WMZOPIPTSA-N 0 3 323.502 3.805 20 30 DHEDHN C=CCN(C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000154781351 338252523 /nfs/dbraw/zinc/25/25/23/338252523.db2.gz UTYVAFMIZYHNDF-UHFFFAOYSA-N 0 3 318.424 3.611 20 30 DHEDHN COc1ccc(C#N)cc1CN(C)[C@@H]1CCc2ccccc2C1 ZINC000437548961 338313278 /nfs/dbraw/zinc/31/32/78/338313278.db2.gz QOJIKPQZYFGORZ-LJQANCHMSA-N 0 3 306.409 3.556 20 30 DHEDHN N#Cc1ccc(CN2C[C@H]3CCCC[C@@H]3C2)c(OC(F)F)c1 ZINC000437657233 338317495 /nfs/dbraw/zinc/31/74/95/338317495.db2.gz UOCMYASQGKEODP-ZIAGYGMSSA-N 0 3 306.356 3.782 20 30 DHEDHN CCCN(CC#Cc1ccc(F)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000438062772 338329516 /nfs/dbraw/zinc/32/95/16/338329516.db2.gz XOCYEHYRKPDBOI-GUDVDZBRSA-N 0 3 315.432 3.703 20 30 DHEDHN COc1ccccc1C[C@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000438181248 338335241 /nfs/dbraw/zinc/33/52/41/338335241.db2.gz UNYVFXYCDXQDHG-INIZCTEOSA-N 0 3 311.400 3.749 20 30 DHEDHN Fc1ccc(C#CCN(C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000438188327 338335720 /nfs/dbraw/zinc/33/57/20/338335720.db2.gz JBKGZEFQTJEJJI-IBGZPJMESA-N 0 3 301.405 3.601 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2ccccc2)[C@@H]1C ZINC000438482018 338345539 /nfs/dbraw/zinc/34/55/39/338345539.db2.gz ZMTFFAUYCGILBH-KXBFYZLASA-N 0 3 306.409 3.945 20 30 DHEDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000439108896 338361276 /nfs/dbraw/zinc/36/12/76/338361276.db2.gz NQWGASPVSJBBAE-HNNXBMFYSA-N 0 3 306.413 3.591 20 30 DHEDHN C[C@@H](Nc1ncc(C#N)cc1Cl)[C@H](c1ccccc1)N(C)C ZINC000439128378 338361867 /nfs/dbraw/zinc/36/18/67/338361867.db2.gz NGEDLGDNNNKSGB-MLGOLLRUSA-N 0 3 314.820 3.710 20 30 DHEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CCOCC2)c(Cl)c1 ZINC000439448883 338369785 /nfs/dbraw/zinc/36/97/85/338369785.db2.gz GXSNLLAWYVRMQQ-QGZVFWFLSA-N 0 3 304.821 3.603 20 30 DHEDHN C[C@@](CO)(NCc1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000439457692 338370172 /nfs/dbraw/zinc/37/01/72/338370172.db2.gz RCJGTSNDAANVLX-KRWDZBQOSA-N 0 3 306.837 3.633 20 30 DHEDHN C=CCOc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000439770963 338377536 /nfs/dbraw/zinc/37/75/36/338377536.db2.gz CBRVTZRQVFOCGQ-IBGZPJMESA-N 0 3 301.430 3.642 20 30 DHEDHN COc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1OC1CCCC1 ZINC000442791589 338431676 /nfs/dbraw/zinc/43/16/76/338431676.db2.gz OBVDAFSNAMLUSF-ZBFHGGJFSA-N 0 3 314.429 3.798 20 30 DHEDHN Cc1cc(CNCCSCc2ccccc2C#N)cs1 ZINC000449064063 338589648 /nfs/dbraw/zinc/58/96/48/338589648.db2.gz SKZWTEXTWRWNIH-UHFFFAOYSA-N 0 3 302.468 3.951 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2cccc(F)c2C)o1 ZINC000449517556 338633903 /nfs/dbraw/zinc/63/39/03/338633903.db2.gz GOGXZPPUIFVEPF-SJORKVTESA-N 0 3 301.361 3.827 20 30 DHEDHN C=CCC1(C(=O)Nc2ccccc2CCN(C)C)CCCC1 ZINC000451230643 338726729 /nfs/dbraw/zinc/72/67/29/338726729.db2.gz OJAGACAHLPZPPF-UHFFFAOYSA-N 0 3 300.446 3.866 20 30 DHEDHN CCC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000451439836 338734871 /nfs/dbraw/zinc/73/48/71/338734871.db2.gz OTEASQSPRBSVCE-HNNXBMFYSA-N 0 3 312.417 3.913 20 30 DHEDHN C=CCC1(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CCCC1 ZINC000451678868 338741744 /nfs/dbraw/zinc/74/17/44/338741744.db2.gz XNGOBPLVLLODRH-CVEARBPZSA-N 0 3 318.461 3.962 20 30 DHEDHN N#CC[C@@H]1CC[C@H](N[C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000453285651 338818701 /nfs/dbraw/zinc/81/87/01/338818701.db2.gz CHHDZUKAKASGFN-UCLAIMLFSA-N 0 3 309.388 3.982 20 30 DHEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000453330219 338826007 /nfs/dbraw/zinc/82/60/07/338826007.db2.gz AWRYGTGKBOVBKZ-CFVMTHIKSA-N 0 3 307.459 3.801 20 30 DHEDHN C=CCC[C@H](N[C@H]1CCO[C@@H](c2nccn2C)C1)c1ccco1 ZINC000453403369 338838978 /nfs/dbraw/zinc/83/89/78/338838978.db2.gz QMQQDJFEZBYEBV-YQQAZPJKSA-N 0 3 315.417 3.530 20 30 DHEDHN Cc1nc2ccccc2n1CCCCCN[C@H]1CCC[C@@H]1C#N ZINC000459479413 339031657 /nfs/dbraw/zinc/03/16/57/339031657.db2.gz OATDJZPTMVNRCM-SJORKVTESA-N 0 3 310.445 3.797 20 30 DHEDHN C[C@@H]1CCCC[C@]1(C)NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000459614400 339038573 /nfs/dbraw/zinc/03/85/73/339038573.db2.gz OFZVITSXPDUULL-ACJLOTCBSA-N 0 3 310.401 3.667 20 30 DHEDHN CC(C)(CC#N)CNCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000459732059 339044950 /nfs/dbraw/zinc/04/49/50/339044950.db2.gz OHBFXYHOYNQWQO-UHFFFAOYSA-N 0 3 302.809 3.760 20 30 DHEDHN C=CC[C@@H](CC)NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000466400901 339202523 /nfs/dbraw/zinc/20/25/23/339202523.db2.gz GCYXOZITUVIRGA-GFCCVEGCSA-N 0 3 308.788 3.504 20 30 DHEDHN COc1ccc2oc(CNCCc3cccc(C#N)c3)cc2c1 ZINC000466407186 339202996 /nfs/dbraw/zinc/20/29/96/339202996.db2.gz AETPJXCCMMEICZ-UHFFFAOYSA-N 0 3 306.365 3.645 20 30 DHEDHN N#Cc1cccc(CCNCc2ccccc2OCC2CC2)c1 ZINC000466411953 339203175 /nfs/dbraw/zinc/20/31/75/339203175.db2.gz IXFPRNKOSHEOJX-UHFFFAOYSA-N 0 3 306.409 3.679 20 30 DHEDHN C=C[C@](C)(CC)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000467521108 339240906 /nfs/dbraw/zinc/24/09/06/339240906.db2.gz XBPGEHRDZDFGCS-IEBWSBKVSA-N 0 3 302.462 3.788 20 30 DHEDHN CN(CCOc1ccc(Cl)cc1)Cc1ccc(F)c(C#N)c1 ZINC000468271523 339258427 /nfs/dbraw/zinc/25/84/27/339258427.db2.gz DKONRWWSDRAJHT-UHFFFAOYSA-N 0 3 318.779 3.862 20 30 DHEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000469378554 339287432 /nfs/dbraw/zinc/28/74/32/339287432.db2.gz HKCHRFGYXXBORE-BXUZGUMPSA-N 0 3 310.319 3.919 20 30 DHEDHN C=CC[C@H](C(=O)NCCN1CCCC(C)(C)C1)c1ccccc1 ZINC000470279219 339315948 /nfs/dbraw/zinc/31/59/48/339315948.db2.gz JTXWHGFDHOQVNN-SFHVURJKSA-N 0 3 314.473 3.585 20 30 DHEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCC2CCCCC2)cc1 ZINC000470811139 339328676 /nfs/dbraw/zinc/32/86/76/339328676.db2.gz LWEVLNNDGWAKSL-LJQANCHMSA-N 0 3 323.440 3.717 20 30 DHEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCc3cc(Br)ccc32)C1 ZINC000471588515 339348424 /nfs/dbraw/zinc/34/84/24/339348424.db2.gz CEUFIIPMUJQHME-RIEGTJTDSA-N 0 3 305.219 3.718 20 30 DHEDHN C=CCCCCN[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000471601539 339349129 /nfs/dbraw/zinc/34/91/29/339349129.db2.gz JWIOWENWAHCBMI-CYBMUJFWSA-N 0 3 304.825 3.928 20 30 DHEDHN C=CCCCCN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000471615261 339349696 /nfs/dbraw/zinc/34/96/96/339349696.db2.gz QNLZGKOJUMMTRN-ZWKOTPCHSA-N 0 3 322.880 3.658 20 30 DHEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472241087 339367188 /nfs/dbraw/zinc/36/71/88/339367188.db2.gz PJZMUJGCTDPFFM-CVEARBPZSA-N 0 3 323.440 3.858 20 30 DHEDHN C=CCOc1ccccc1CN1CC[C@]2(C1)OCc1ccccc12 ZINC000473119946 339381324 /nfs/dbraw/zinc/38/13/24/339381324.db2.gz RJJFQQREJFCION-OAQYLSRUSA-N 0 3 321.420 3.883 20 30 DHEDHN C=CCNC(=O)CN[C@H](c1ccc(C)cc1)C1CCCCC1 ZINC000479295751 339530741 /nfs/dbraw/zinc/53/07/41/339530741.db2.gz LZHQWTYFWNVFAC-IBGZPJMESA-N 0 3 300.446 3.508 20 30 DHEDHN C=CCCCC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000479569298 339541503 /nfs/dbraw/zinc/54/15/03/339541503.db2.gz LYHJPZGZPQGRLU-IBGZPJMESA-N 0 3 314.473 3.932 20 30 DHEDHN CC(C)C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000480712589 339584323 /nfs/dbraw/zinc/58/43/23/339584323.db2.gz UDTDPGOTNUBNOO-VHSSKADRSA-N 0 3 304.409 3.942 20 30 DHEDHN Cc1cc(CN2CCC(c3ccc(O)cc3)CC2)ccc1C#N ZINC000486806049 339735132 /nfs/dbraw/zinc/73/51/32/339735132.db2.gz ZAUCHGIQDCKICN-UHFFFAOYSA-N 0 3 306.409 3.952 20 30 DHEDHN Cc1cccc([C@@H](C)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000487521422 339755573 /nfs/dbraw/zinc/75/55/73/339755573.db2.gz VPMNQMPIFKFZPZ-GOSISDBHSA-N 0 3 319.452 3.746 20 30 DHEDHN C=CCCCCCN1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000488205309 339773241 /nfs/dbraw/zinc/77/32/41/339773241.db2.gz ZPZZAVOYBCRMNB-UHFFFAOYSA-N 0 3 315.457 3.940 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000498806355 340023635 /nfs/dbraw/zinc/02/36/35/340023635.db2.gz PEBQJNLTAWYVJX-LJQANCHMSA-N 0 3 324.399 3.783 20 30 DHEDHN CC#CCCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000499218349 340032664 /nfs/dbraw/zinc/03/26/64/340032664.db2.gz XKNZMSCCBQQXCN-UHFFFAOYSA-N 0 3 304.393 3.640 20 30 DHEDHN C=CCN(CC=C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000501135153 340074866 /nfs/dbraw/zinc/07/48/66/340074866.db2.gz OYPIBTFSISQMBL-INIZCTEOSA-N 0 3 321.490 3.515 20 30 DHEDHN COc1cc(C#N)ccc1CN1C[C@H](c2ccccc2)C[C@@H]1C ZINC000501199530 340076137 /nfs/dbraw/zinc/07/61/37/340076137.db2.gz AQXDLNWAUOMCEL-HNAYVOBHSA-N 0 3 306.409 3.945 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@H](Cc2ccccc2)C1 ZINC000501211018 340076230 /nfs/dbraw/zinc/07/62/30/340076230.db2.gz VHGRRZDWMXQKTR-GOSISDBHSA-N 0 3 306.409 3.631 20 30 DHEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C)C1 ZINC000501779635 340088434 /nfs/dbraw/zinc/08/84/34/340088434.db2.gz XKQDMINVVCEUKB-PMPSAXMXSA-N 0 3 320.502 3.629 20 30 DHEDHN N#Cc1ccc(C2=CCN(CCOc3ccccc3)CC2)cc1 ZINC000502527673 340106918 /nfs/dbraw/zinc/10/69/18/340106918.db2.gz HGXRLYQHKJFBSG-UHFFFAOYSA-N 0 3 304.393 3.726 20 30 DHEDHN C=CCCC[C@H](C)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503268801 340124418 /nfs/dbraw/zinc/12/44/18/340124418.db2.gz KVEVGYARZPZWIV-IRXDYDNUSA-N 0 3 302.462 3.883 20 30 DHEDHN N#Cc1ccc(OCCN2CC[C@H](c3ccccc3F)C2)cc1 ZINC000503692303 340133657 /nfs/dbraw/zinc/13/36/57/340133657.db2.gz LHZLZMMRQFUDJD-INIZCTEOSA-N 0 3 310.372 3.566 20 30 DHEDHN C=CCCc1ccccc1NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000505059700 340160286 /nfs/dbraw/zinc/16/02/86/340160286.db2.gz AOEAINUZEBLRSI-WBVHZDCISA-N 0 3 315.461 3.752 20 30 DHEDHN C=CCOc1ccc(CN(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000506064354 340184728 /nfs/dbraw/zinc/18/47/28/340184728.db2.gz RTUZGLSNJGVYHJ-UHFFFAOYSA-N 0 3 311.381 3.612 20 30 DHEDHN CN(CCSc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000506135152 340186497 /nfs/dbraw/zinc/18/64/97/340186497.db2.gz KWELLUOWCYRPEB-UHFFFAOYSA-N 0 3 300.402 3.921 20 30 DHEDHN CC[C@@H]1C[C@H](CN2CCC[C@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000507786312 340231302 /nfs/dbraw/zinc/23/13/02/340231302.db2.gz YLJZDPAHMMPSBZ-AFYVEPGGSA-N 0 3 312.457 3.963 20 30 DHEDHN CC(C#N)C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC000508459841 340244070 /nfs/dbraw/zinc/24/40/70/340244070.db2.gz WPWIECJVHNEIFH-ZFWWWQNUSA-N 0 3 304.821 3.813 20 30 DHEDHN C=C(C)CCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000509261024 340264812 /nfs/dbraw/zinc/26/48/12/340264812.db2.gz ZWMKSLRJEMDKAM-GJZGRUSLSA-N 0 3 300.229 3.850 20 30 DHEDHN CO[C@H]1C[C@@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000510167579 340291340 /nfs/dbraw/zinc/29/13/40/340291340.db2.gz FENRUFCPDGSVPR-KDURUIRLSA-N 0 3 306.409 3.834 20 30 DHEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)(C)CC)cc2)CC1 ZINC000510439621 340299384 /nfs/dbraw/zinc/29/93/84/340299384.db2.gz AYYFOPPPGHVLLY-UHFFFAOYSA-N 0 3 314.473 3.754 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000510552924 340302495 /nfs/dbraw/zinc/30/24/95/340302495.db2.gz QYENTWUTRGUDGC-XYJFISCASA-N 0 3 302.462 3.705 20 30 DHEDHN C=C(C)CCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510625515 340304252 /nfs/dbraw/zinc/30/42/52/340304252.db2.gz WEYRYSAUXDUYIN-IBGZPJMESA-N 0 3 314.473 3.556 20 30 DHEDHN C=C(C)CN(CCCc1ccsc1)Cc1ccc(CO)o1 ZINC000512209826 340352318 /nfs/dbraw/zinc/35/23/18/340352318.db2.gz CPCQPCLDJTWNFF-UHFFFAOYSA-N 0 3 305.443 3.844 20 30 DHEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc[nH]c1C(C)C)C(C)C ZINC000512339276 340357908 /nfs/dbraw/zinc/35/79/08/340357908.db2.gz SOELOUQCHCJSPV-KRWDZBQOSA-N 0 3 317.477 3.567 20 30 DHEDHN C=C(C)CNCc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000512403554 340360694 /nfs/dbraw/zinc/36/06/94/340360694.db2.gz MGOSHZQJGABOPG-UHFFFAOYSA-N 0 3 321.424 3.887 20 30 DHEDHN C[C@@H](NCCc1cc(F)cc(F)c1)c1ccc(C#N)cc1F ZINC000512611154 340368926 /nfs/dbraw/zinc/36/89/26/340368926.db2.gz IGFIJPUPSWFXJH-LLVKDONJSA-N 0 3 304.315 3.869 20 30 DHEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512621562 340369487 /nfs/dbraw/zinc/36/94/87/340369487.db2.gz ZIJRXUQIHWJDRO-KPZWWZAWSA-N 0 3 316.351 3.875 20 30 DHEDHN C[C@H](NCCOc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512632333 340370092 /nfs/dbraw/zinc/37/00/92/340370092.db2.gz ZIANKRITBLZFGV-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccc(C#N)cc1F ZINC000512642480 340370673 /nfs/dbraw/zinc/37/06/73/340370673.db2.gz QCCXWFKBDYPCRA-WPUCRFQZSA-N 0 3 302.393 3.552 20 30 DHEDHN COCCC1(CN[C@H](C)c2ccc(C#N)cc2F)CCCC1 ZINC000512649769 340371008 /nfs/dbraw/zinc/37/10/08/340371008.db2.gz UFPKJSLIGLGHBJ-CQSZACIVSA-N 0 3 304.409 3.945 20 30 DHEDHN C[C@@H](NC[C@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1F ZINC000512655377 340371270 /nfs/dbraw/zinc/37/12/70/340371270.db2.gz UBDJNWQLEAQKLX-AUUYWEPGSA-N 0 3 311.404 3.651 20 30 DHEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000513077956 340392398 /nfs/dbraw/zinc/39/23/98/340392398.db2.gz WFFZLISEYKYQHM-PCCBWWKXSA-N 0 3 320.436 3.999 20 30 DHEDHN C=CCOc1ccccc1CNCCc1c(F)cccc1F ZINC000513109483 340393643 /nfs/dbraw/zinc/39/36/43/340393643.db2.gz CHPMBFJWRIPXJG-UHFFFAOYSA-N 0 3 303.352 3.862 20 30 DHEDHN C[C@H]1CN(CCCC(C)(C)C#N)CCN1CCCC(C)(C)C#N ZINC000174819311 340396616 /nfs/dbraw/zinc/39/66/16/340396616.db2.gz NWYOGWKIQBNZSX-KRWDZBQOSA-N 0 3 318.509 3.652 20 30 DHEDHN CCCN(CC(=O)c1cn(CCC#N)c2ccccc12)CC1CC1 ZINC000174863179 340397891 /nfs/dbraw/zinc/39/78/91/340397891.db2.gz AUHLNSLXDDSAHL-UHFFFAOYSA-N 0 3 323.440 3.860 20 30 DHEDHN CC(C)N(CCCCC(C)(C)C#N)CC(=O)N1CCCCCC1 ZINC000513232498 340398721 /nfs/dbraw/zinc/39/87/21/340398721.db2.gz OSDHNYZPHSHFGI-UHFFFAOYSA-N 0 3 321.509 3.819 20 30 DHEDHN C=C(C)[C@@H](N[C@H](C)CCn1cccn1)c1ccc(F)c(F)c1 ZINC000186452756 340513144 /nfs/dbraw/zinc/51/31/44/340513144.db2.gz UCXZLDMSQMYNLQ-CXAGYDPISA-N 0 3 305.372 3.847 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000190511648 340545569 /nfs/dbraw/zinc/54/55/69/340545569.db2.gz ZEFKDVNOSRJAJR-RDJZCZTQSA-N 0 3 308.491 3.850 20 30 DHEDHN C=CC1CCN(CC(=O)N(CCC)Cc2ccc(C)cc2)CC1 ZINC000523607744 340629683 /nfs/dbraw/zinc/62/96/83/340629683.db2.gz TZVDRIXRFYMCGR-UHFFFAOYSA-N 0 3 314.473 3.632 20 30 DHEDHN CC[C@@H](NCCOc1ccc(C#N)cc1)c1cc(C)ccc1OC ZINC000537988460 340806023 /nfs/dbraw/zinc/80/60/23/340806023.db2.gz XQLSIKKSQZQSAK-LJQANCHMSA-N 0 3 324.424 3.995 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@H](C)CC ZINC000539363033 340882535 /nfs/dbraw/zinc/88/25/35/340882535.db2.gz ZGFVSGGQDMTDJZ-KGLIPLIRSA-N 0 3 306.475 3.927 20 30 DHEDHN CCc1ccc(C(C)(C)NCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000539360873 340882537 /nfs/dbraw/zinc/88/25/37/340882537.db2.gz AVJLDLRFVORXOW-UHFFFAOYSA-N 0 3 321.424 3.584 20 30 DHEDHN N#CCc1ccc(CN2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000564256242 341010676 /nfs/dbraw/zinc/01/06/76/341010676.db2.gz WPOFIJVHSIIRQK-NRFANRHFSA-N 0 3 318.420 3.722 20 30 DHEDHN N#CCc1ccc(CN2CC[C@H](COc3ccccc3)C2)cc1 ZINC000543186739 341035873 /nfs/dbraw/zinc/03/58/73/341035873.db2.gz MOVATSZAZGBRGI-IBGZPJMESA-N 0 3 306.409 3.654 20 30 DHEDHN N#Cc1ccc(OCCNC/C=C/c2ccc(F)cc2F)cc1 ZINC000543634681 341052427 /nfs/dbraw/zinc/05/24/27/341052427.db2.gz IAIMORZRYKYHIV-OWOJBTEDSA-N 0 3 314.335 3.518 20 30 DHEDHN N#CCC1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000543782642 341058586 /nfs/dbraw/zinc/05/85/86/341058586.db2.gz YCJZBHPDSIQDCT-UHFFFAOYSA-N 0 3 312.335 3.753 20 30 DHEDHN C=CCn1c(CCN2CCCCC2)nnc1SC(CC)CC ZINC000544618509 341089506 /nfs/dbraw/zinc/08/95/06/341089506.db2.gz WJEGMDKSWFXWJH-UHFFFAOYSA-N 0 3 322.522 3.773 20 30 DHEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000073618353 341119256 /nfs/dbraw/zinc/11/92/56/341119256.db2.gz HLKXUKNLBLKAFF-IUODEOHRSA-N 0 3 319.836 3.661 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C)[C@H]2CCC)CC1 ZINC000074130010 341129454 /nfs/dbraw/zinc/12/94/54/341129454.db2.gz GIYOXCFFFZPATM-FUHWJXTLSA-N 0 3 321.509 3.637 20 30 DHEDHN OCC[C@H](NCC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000546934234 341187406 /nfs/dbraw/zinc/18/74/06/341187406.db2.gz TYZYBJWAHSMEBO-SFHVURJKSA-N 0 3 305.849 3.612 20 30 DHEDHN C=C(C)COCCNCc1ccc(OC(F)F)c(Cl)c1 ZINC000134503087 341216598 /nfs/dbraw/zinc/21/65/98/341216598.db2.gz ITPDICHSZYVWGV-UHFFFAOYSA-N 0 3 305.752 3.624 20 30 DHEDHN N#Cc1ccc(OCCNCc2ccccc2OCC2CC2)cc1 ZINC000237845115 341221722 /nfs/dbraw/zinc/22/17/22/341221722.db2.gz QWUKLDFYEGAONP-UHFFFAOYSA-N 0 3 322.408 3.516 20 30 DHEDHN CCC[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000549929480 341307054 /nfs/dbraw/zinc/30/70/54/341307054.db2.gz COICWOYMCSAAHM-HSALFYBXSA-N 0 3 311.473 3.665 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000245901574 341317752 /nfs/dbraw/zinc/31/77/52/341317752.db2.gz LIHHWLNTGNRMBK-FGTMMUONSA-N 0 3 318.505 3.750 20 30 DHEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248831206 341388034 /nfs/dbraw/zinc/38/80/34/341388034.db2.gz MNUDXSPOTWBJLA-NYUZSIGZSA-N 0 3 322.811 3.981 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000249091972 341393648 /nfs/dbraw/zinc/39/36/48/341393648.db2.gz DKJJYWVGEZELEU-YWZLYKJASA-N 0 3 304.393 3.751 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(OCC#N)cc1 ZINC000266517787 341587796 /nfs/dbraw/zinc/58/77/96/341587796.db2.gz ZAGMCBXUVVDFKB-LSDHHAIUSA-N 0 3 305.381 3.872 20 30 DHEDHN C=CCC(C)(C)CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000568606309 341676250 /nfs/dbraw/zinc/67/62/50/341676250.db2.gz FDBZTXPQIJQNEP-UHFFFAOYSA-N 0 3 313.344 3.709 20 30 DHEDHN N#CC1(CCNC2(c3ccc4c(c3)OCO4)CC2)CCCCC1 ZINC000574857193 341771035 /nfs/dbraw/zinc/77/10/35/341771035.db2.gz NRCWNMMTTLYMIC-UHFFFAOYSA-N 0 3 312.413 3.858 20 30 DHEDHN CCc1nc2c(s1)[C@@H](NCc1ccc(CC#N)cc1)CCC2 ZINC000575802763 341805438 /nfs/dbraw/zinc/80/54/38/341805438.db2.gz RHAWUFOAPPTQLZ-HNNXBMFYSA-N 0 3 311.454 3.939 20 30 DHEDHN CCCOC1(CNCc2ccc(C#N)c(OC)c2)CCCCC1 ZINC000577306197 341903540 /nfs/dbraw/zinc/90/35/40/341903540.db2.gz UJPZTFXUPSRCLE-UHFFFAOYSA-N 0 3 316.445 3.786 20 30 DHEDHN CCOCc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1OC ZINC000180052973 520184015 /nfs/dbraw/zinc/18/40/15/520184015.db2.gz GEDICWYWIYJNSX-UHFFFAOYSA-N 0 3 324.424 3.735 20 30 DHEDHN CC[C@H](CSC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356415890 522282636 /nfs/dbraw/zinc/28/26/36/522282636.db2.gz PETWLSUUGLRWJF-GFCCVEGCSA-N 0 3 302.365 3.808 20 30 DHEDHN CC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000126953395 522851191 /nfs/dbraw/zinc/85/11/91/522851191.db2.gz MMPPEDJLJCJRBH-QZTJIDSGSA-N 0 3 314.816 3.986 20 30 DHEDHN CC[C@@H](NCc1ccccc1-n1cccn1)c1ccc(C#N)cc1 ZINC000365193446 522885208 /nfs/dbraw/zinc/88/52/08/522885208.db2.gz AKSRECGSZMKNRQ-LJQANCHMSA-N 0 3 316.408 3.985 20 30 DHEDHN CC[C@](C)(COc1ncccc1Cl)NCc1ccc(C#N)o1 ZINC000158701845 523474703 /nfs/dbraw/zinc/47/47/03/523474703.db2.gz UESRGCYOBMDBTD-MRXNPFEDSA-N 0 3 319.792 3.537 20 30 DHEDHN Cc1cccc2oc(CCN[C@@H](C)c3ccc(C#N)cc3)nc21 ZINC000266613534 524997923 /nfs/dbraw/zinc/99/79/23/524997923.db2.gz PZTLZMATUCRJAY-AWEZNQCLSA-N 0 3 305.381 3.901 20 30 DHEDHN C[C@H]1[C@H](NCc2nnc(-c3ccc(C#N)cc3)o2)CCC[C@@H]1C ZINC000162941782 525111953 /nfs/dbraw/zinc/11/19/53/525111953.db2.gz JNTPVYMLFVZVTD-WOSRLPQWSA-N 0 3 310.401 3.523 20 30 DHEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@@H]1OCCc2sccc21 ZINC000366422083 525437140 /nfs/dbraw/zinc/43/71/40/525437140.db2.gz RQKRJVHQYFULIT-GTNSWQLSSA-N 0 3 316.401 3.551 20 30 DHEDHN C[C@@H](NCc1ccnc(N2CCCCC2)c1)c1cccc(C#N)c1 ZINC000181524225 525546259 /nfs/dbraw/zinc/54/62/59/525546259.db2.gz JEHCWNFWJLFICE-MRXNPFEDSA-N 0 3 320.440 3.794 20 30 DHEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccoc1 ZINC000366218278 525677227 /nfs/dbraw/zinc/67/72/27/525677227.db2.gz KTTHYPVFCVILCI-CJNGLKHVSA-N 0 3 313.376 3.610 20 30 DHEDHN N#Cc1cc(F)ccc1NC1CCN(Cc2ccccc2)CC1 ZINC000247633326 526561938 /nfs/dbraw/zinc/56/19/38/526561938.db2.gz CGBXOLOLIVXZRM-UHFFFAOYSA-N 0 3 309.388 3.774 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)s1 ZINC000182109915 526627013 /nfs/dbraw/zinc/62/70/13/526627013.db2.gz QKBYLJHDDRNRSV-HOTGVXAUSA-N 0 3 318.829 3.893 20 30 DHEDHN N#Cc1ccc2ncc(CNCc3cc4ccccc4s3)n2c1 ZINC000339414737 526693699 /nfs/dbraw/zinc/69/36/99/526693699.db2.gz BQDCIPOSIQIOBX-UHFFFAOYSA-N 0 3 318.405 3.710 20 30 DHEDHN Cc1nc2c(s1)CCC[C@H]2CNCc1ccc(C#N)s1 ZINC000366397911 527104830 /nfs/dbraw/zinc/10/48/30/527104830.db2.gz DNOMCBMVUZQZLT-NSHDSACASA-N 0 3 303.456 3.594 20 30 DHEDHN C=C(C)C[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823878278 946498643 /nfs/dbraw/zinc/49/86/43/946498643.db2.gz USLUZYYSWDACLD-AWEZNQCLSA-N 0 3 319.412 3.760 20 30 DHEDHN C=C(C)C[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823878278 946498649 /nfs/dbraw/zinc/49/86/49/946498649.db2.gz USLUZYYSWDACLD-AWEZNQCLSA-N 0 3 319.412 3.760 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000843740198 1013207033 /nfs/dbraw/zinc/20/70/33/1013207033.db2.gz CHBMIJXONSLFMR-HHXXYDBFSA-N 0 3 312.457 3.732 20 30 DHEDHN CC(C)OC(=O)C[C@@H](N[C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000894490719 1013387956 /nfs/dbraw/zinc/38/79/56/1013387956.db2.gz SHISVWUOBKNOCK-DOTOQJQBSA-N 0 3 316.445 3.987 20 30 DHEDHN CC(C)OC(=O)C[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000894490721 1013388080 /nfs/dbraw/zinc/38/80/80/1013388080.db2.gz SHISVWUOBKNOCK-NVXWUHKLSA-N 0 3 316.445 3.987 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000280786859 1013552476 /nfs/dbraw/zinc/55/24/76/1013552476.db2.gz IXMBPOJPANUOLX-IHPCNDPISA-N 0 3 308.425 3.742 20 30 DHEDHN C#C[C@H](N[C@H]1CCO[C@H](CC)C1)c1ccc(Br)cc1 ZINC000894870934 1013573008 /nfs/dbraw/zinc/57/30/08/1013573008.db2.gz QDVYXTPTPXHCQQ-XHSDSOJGSA-N 0 3 322.246 3.671 20 30 DHEDHN COCC#CCN[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000683524314 1013589964 /nfs/dbraw/zinc/58/99/64/1013589964.db2.gz FZRHDAQBQFGFTJ-QGZVFWFLSA-N 0 3 309.409 3.566 20 30 DHEDHN CC[C@H](c1ccccc1)N(CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000520174784 1013668817 /nfs/dbraw/zinc/66/88/17/1013668817.db2.gz ZVPMCQCBJJEDHN-MJGOQNOKSA-N 0 3 315.461 3.514 20 30 DHEDHN C[C@H](NCc1ccc(C#N)s1)c1cccc(-n2ccnc2)c1 ZINC000176979107 1013694321 /nfs/dbraw/zinc/69/43/21/1013694321.db2.gz OJTRKSPWUIZUTD-ZDUSSCGKSA-N 0 3 308.410 3.656 20 30 DHEDHN CCCN(Cc1ccc(F)cc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000580136900 1014041082 /nfs/dbraw/zinc/04/10/82/1014041082.db2.gz SSJFYFONXOEVQD-KURKYZTESA-N 0 3 316.420 3.723 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCc3c2cccc3O)cc1 ZINC000130367846 1014239774 /nfs/dbraw/zinc/23/97/74/1014239774.db2.gz QMNXRUASYUMAMK-IFXJQAMLSA-N 0 3 307.393 3.742 20 30 DHEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001125467995 1014307476 /nfs/dbraw/zinc/30/74/76/1014307476.db2.gz UZFVIBAMXOANCR-NUJGCVRESA-N 0 3 300.446 3.540 20 30 DHEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccc2c(c1)OCCCO2 ZINC000580738171 1014325399 /nfs/dbraw/zinc/32/53/99/1014325399.db2.gz YKFSMSXMRQNBFL-HNNXBMFYSA-N 0 3 322.408 3.765 20 30 DHEDHN N#Cc1cnn2cc(CN3CCCC4(CCCCC4)CC3)cnc12 ZINC000580773661 1014342686 /nfs/dbraw/zinc/34/26/86/1014342686.db2.gz GJCGHEURJLJJFB-UHFFFAOYSA-N 0 3 323.444 3.537 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000520955908 1014620483 /nfs/dbraw/zinc/62/04/83/1014620483.db2.gz OGQOTDLMIMPQTK-WMLDXEAASA-N 0 3 311.429 3.597 20 30 DHEDHN N#C[C@@H]1CC[C@H](NCc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000520955906 1014620962 /nfs/dbraw/zinc/62/09/62/1014620962.db2.gz OGQOTDLMIMPQTK-PBHICJAKSA-N 0 3 311.429 3.597 20 30 DHEDHN Cc1nc(C)c([C@H](C)NCc2ccc(OCC#N)cc2)s1 ZINC000040445805 1014742870 /nfs/dbraw/zinc/74/28/70/1014742870.db2.gz SZKIBFAUBZWHRC-NSHDSACASA-N 0 3 301.415 3.513 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000442895033 1014766375 /nfs/dbraw/zinc/76/63/75/1014766375.db2.gz DIMYVIMDWNLYFU-ZDUSSCGKSA-N 0 3 314.820 3.806 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@H](OC)C[C@H]2C)ccc1OC ZINC000443071431 1014799767 /nfs/dbraw/zinc/79/97/67/1014799767.db2.gz SMJJCUYQYFIIPI-WBVHZDCISA-N 0 3 319.445 3.649 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC[C@H](C)CC(C)(C)C)CC1 ZINC000443111683 1014813936 /nfs/dbraw/zinc/81/39/36/1014813936.db2.gz UQGQCWVHJQBOFB-INIZCTEOSA-N 0 3 323.525 3.789 20 30 DHEDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000521899286 1014830787 /nfs/dbraw/zinc/83/07/87/1014830787.db2.gz QKGCXKYOZFDRSK-YVEFUNNKSA-N 0 3 307.353 3.805 20 30 DHEDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000521899285 1014831338 /nfs/dbraw/zinc/83/13/38/1014831338.db2.gz QKGCXKYOZFDRSK-SJKOYZFVSA-N 0 3 307.353 3.805 20 30 DHEDHN C#CCC1(N[C@H](C)C(=O)Nc2cc(Cl)ccc2C)CCC1 ZINC000933300657 1014974955 /nfs/dbraw/zinc/97/49/55/1014974955.db2.gz BLWBESWCABINEW-CYBMUJFWSA-N 0 3 304.821 3.511 20 30 DHEDHN C#CCC1(N[C@H](C)C(=O)Nc2c(CC)cccc2CC)CCC1 ZINC000933304184 1014988238 /nfs/dbraw/zinc/98/82/38/1014988238.db2.gz YYXJTTYAOLQPPD-OAHLLOKOSA-N 0 3 312.457 3.674 20 30 DHEDHN COC(=O)c1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1C ZINC000895329257 1015057744 /nfs/dbraw/zinc/05/77/44/1015057744.db2.gz PWOHWHYXBUJQCR-UHFFFAOYSA-N 0 3 322.408 3.678 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](C)c2ccncc2)c([O-])c1 ZINC000749844652 1015082274 /nfs/dbraw/zinc/08/22/74/1015082274.db2.gz LETPIZGSMPRKNC-XWCAUFEOSA-N 0 3 311.429 3.856 20 30 DHEDHN C=C1CCC(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000895466830 1015170691 /nfs/dbraw/zinc/17/06/91/1015170691.db2.gz HMCHKQOOVWBCIF-MRXNPFEDSA-N 0 3 318.486 3.748 20 30 DHEDHN Cc1nc(C(C#N)C(=O)Nc2ccccc2Cl)sc1C ZINC000155649955 1015295937 /nfs/dbraw/zinc/29/59/37/1015295937.db2.gz OFFKGEDXXYNMNR-SNVBAGLBSA-N 0 3 305.790 3.659 20 30 DHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(-n2cncn2)cc1 ZINC000178179684 1015405131 /nfs/dbraw/zinc/40/51/31/1015405131.db2.gz CQHKCLFHVBCCAB-HUUCEWRRSA-N 0 3 317.396 3.551 20 30 DHEDHN CSCC[C@H](C)N(C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878251351 1033635620 /nfs/dbraw/zinc/63/56/20/1033635620.db2.gz XOUZCHBUHFDWMX-YJBOKZPZSA-N 0 3 318.486 3.500 20 30 DHEDHN CN(Cc1cc(Br)ccc1C#N)CC1CCCC1 ZINC001141905070 1015692696 /nfs/dbraw/zinc/69/26/96/1015692696.db2.gz PIPIJYHKTMQYHR-UHFFFAOYSA-N 0 3 307.235 3.943 20 30 DHEDHN O=C(CN[C@H](c1ccccc1)[C@H]1CCOC1)NC1CCCCC1 ZINC000329397376 1015696164 /nfs/dbraw/zinc/69/61/64/1015696164.db2.gz UXRSMJVEAKYYAJ-QFBILLFUSA-N 0 3 316.445 3.643 20 30 DHEDHN COc1cccc([C@@H](C/N=C/c2ccccc2O)N2CCCC2)c1 ZINC000022768870 1015820535 /nfs/dbraw/zinc/82/05/35/1015820535.db2.gz VIHYBPGACQAIDE-KNGGAZFVSA-N 0 3 324.424 3.657 20 30 DHEDHN C=CCOc1cccc(CN(Cc2ccccc2)C[C@@H](C)O)c1 ZINC000535799704 1015828663 /nfs/dbraw/zinc/82/86/63/1015828663.db2.gz GQNOSDAEKYEAMV-QGZVFWFLSA-N 0 3 311.425 3.634 20 30 DHEDHN C=CCC[C@H](NCC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000341950881 1015857525 /nfs/dbraw/zinc/85/75/25/1015857525.db2.gz YVVLGKVVNFVRAZ-LMMKCTJWSA-N 0 3 314.473 3.788 20 30 DHEDHN COc1ccc(CN2CCC=C(c3ccccc3)C2)cc1C#N ZINC000341980911 1015862753 /nfs/dbraw/zinc/86/27/53/1015862753.db2.gz DDDIFEUJLXCPDW-UHFFFAOYSA-N 0 3 304.393 3.856 20 30 DHEDHN CC(C)CO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000610946947 1015958660 /nfs/dbraw/zinc/95/86/60/1015958660.db2.gz MUNRJXZAHFVIBG-IAGOWNOFSA-N 0 3 304.409 3.627 20 30 DHEDHN CCOc1ccc(CN(Cc2ccnc(C#N)c2)C(C)C)cc1 ZINC000610991662 1015990575 /nfs/dbraw/zinc/99/05/75/1015990575.db2.gz QKXLQIIWYKYFTK-UHFFFAOYSA-N 0 3 309.413 3.763 20 30 DHEDHN CN(C)[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000121775738 1016424810 /nfs/dbraw/zinc/42/48/10/1016424810.db2.gz VGLKDRHXCNCRFH-IOVUBPJKSA-N 0 3 319.408 3.662 20 30 DHEDHN CN(C)[C@H](CNc1ccc(C#N)c(Cl)c1)c1ccsc1 ZINC000346589563 1016457528 /nfs/dbraw/zinc/45/75/28/1016457528.db2.gz CMKMPSOLYPTQJV-OAHLLOKOSA-N 0 3 305.834 3.988 20 30 DHEDHN CC(C)OC(=O)C[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187725959 1016506555 /nfs/dbraw/zinc/50/65/55/1016506555.db2.gz CKUWPKVLFSVQKV-RDJZCZTQSA-N 0 3 314.429 3.673 20 30 DHEDHN CN(CCCOCc1ccccc1)Cc1ccc(C#N)s1 ZINC000281424236 1016510068 /nfs/dbraw/zinc/51/00/68/1016510068.db2.gz ZACIEJFQOLWNMR-UHFFFAOYSA-N 0 3 300.427 3.658 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000171739356 1016594909 /nfs/dbraw/zinc/59/49/09/1016594909.db2.gz OIWYXIAVTXIABQ-UHFFFAOYSA-N 0 3 315.461 3.756 20 30 DHEDHN C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587644 1016609250 /nfs/dbraw/zinc/60/92/50/1016609250.db2.gz KPINZIPIDNWFTC-CKFHNAJUSA-N 0 3 312.388 3.513 20 30 DHEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](c1ccccc1)C(C)C ZINC000097059939 1016869088 /nfs/dbraw/zinc/86/90/88/1016869088.db2.gz RIUKAAVEDNAAMZ-WMZOPIPTSA-N 0 3 302.462 3.786 20 30 DHEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccoc1C1CC1 ZINC000342649280 1016920621 /nfs/dbraw/zinc/92/06/21/1016920621.db2.gz WPLPXIFTZAMDGE-CYBMUJFWSA-N 0 3 305.337 3.534 20 30 DHEDHN C=CCCn1cc(CNCC(C)(C)c2ccc(C)cc2C)nn1 ZINC000657471644 1016950328 /nfs/dbraw/zinc/95/03/28/1016950328.db2.gz BIZAFBFCCRFRGJ-UHFFFAOYSA-N 0 3 312.461 3.538 20 30 DHEDHN C=CCN(CCCC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000342676604 1016981704 /nfs/dbraw/zinc/98/17/04/1016981704.db2.gz YZVYYHODQITAEY-UHFFFAOYSA-N 0 3 314.429 3.668 20 30 DHEDHN C=CCOc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618742344 1032191615 /nfs/dbraw/zinc/19/16/15/1032191615.db2.gz XCEFEWLZQZIJEF-HXUWFJFHSA-N 0 3 304.393 3.900 20 30 DHEDHN CC(C)n1cc([C@H](C)N[C@@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000772960732 1032200089 /nfs/dbraw/zinc/20/00/89/1032200089.db2.gz VKBFODKFWPJUAL-GJZGRUSLSA-N 0 3 312.417 3.778 20 30 DHEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000539294802 1033315990 /nfs/dbraw/zinc/31/59/90/1033315990.db2.gz IDMQYERCGQNVEQ-ZJUUUORDSA-N 0 3 306.208 3.968 20 30 DHEDHN C=CCCCCN1CCN(c2nc3ccccc3s2)CC1 ZINC001168340329 1032405712 /nfs/dbraw/zinc/40/57/12/1032405712.db2.gz SYBQCFFAPNFHJH-UHFFFAOYSA-N 0 3 301.459 3.775 20 30 DHEDHN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)o1 ZINC000092100919 1032476156 /nfs/dbraw/zinc/47/61/56/1032476156.db2.gz HUUQSKNUCHCVOT-UHFFFAOYSA-N 0 3 320.396 3.606 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc(OC)c2)c1 ZINC000073012395 1017089571 /nfs/dbraw/zinc/08/95/71/1017089571.db2.gz LSRRFEHJKFECJV-KRWDZBQOSA-N 0 3 310.397 3.666 20 30 DHEDHN Cn1cc([C@H](NCC(C)(C)CCC#N)c2cccc(F)c2)cn1 ZINC000348208291 1032504405 /nfs/dbraw/zinc/50/44/05/1032504405.db2.gz SNOPLOZIXLNXLZ-QGZVFWFLSA-N 0 3 314.408 3.568 20 30 DHEDHN CC[C@H]1CN(Cc2cccc(OCCCC#N)c2)CCS1 ZINC000093502151 1032542876 /nfs/dbraw/zinc/54/28/76/1032542876.db2.gz MCKDBOIJUPZYFW-KRWDZBQOSA-N 0 3 304.459 3.697 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc3c(c2)COC3)cc1 ZINC000773077474 1032549025 /nfs/dbraw/zinc/54/90/25/1032549025.db2.gz DVXVPBBOOQJCSQ-OAHLLOKOSA-N 0 3 307.393 3.580 20 30 DHEDHN COc1ccc(CN[C@H]2CCCOc3cc(C)ccc32)cc1C#N ZINC000773084700 1032551733 /nfs/dbraw/zinc/55/17/33/1032551733.db2.gz VQOHUKLHKWCPKY-SFHVURJKSA-N 0 3 322.408 3.879 20 30 DHEDHN CC(C)c1ccc([C@@H](NC(=O)[C@H](N)CCCC#N)C(C)C)cc1 ZINC000424061377 1011898814 /nfs/dbraw/zinc/89/88/14/1011898814.db2.gz FBRDSSGCCNOQQE-MSOLQXFVSA-N 0 3 315.461 3.644 20 30 DHEDHN Cc1c(CSC(C)C)cccc1NC(=O)[C@H](N)CCCC#N ZINC000424124680 1011913999 /nfs/dbraw/zinc/91/39/99/1011913999.db2.gz MONYWNJZEWAOOH-OAHLLOKOSA-N 0 3 319.474 3.596 20 30 DHEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3sc(Br)cc32)C1 ZINC000424329150 1011981092 /nfs/dbraw/zinc/98/10/92/1011981092.db2.gz PGMSNJPQTVNRHL-IQJOONFLSA-N 0 3 311.248 3.780 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2C(F)F)CC1 ZINC000425689347 1012794796 /nfs/dbraw/zinc/79/47/96/1012794796.db2.gz BSURJIUXAKWLTG-UHFFFAOYSA-N 0 3 323.387 3.786 20 30 DHEDHN CN(C/C=C/c1ccc(F)cc1)CCOCc1ccc(C#N)cc1 ZINC000517438977 1012986403 /nfs/dbraw/zinc/98/64/03/1012986403.db2.gz OBCCGAMSJFWWNP-NSCUHMNNSA-N 0 3 324.399 3.859 20 30 DHEDHN N#CCOc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000073052386 1017124195 /nfs/dbraw/zinc/12/41/95/1017124195.db2.gz OFKYRMLPEITGHN-UHFFFAOYSA-N 0 3 320.314 3.898 20 30 DHEDHN C=CCSCCN[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000180454435 1017447727 /nfs/dbraw/zinc/44/77/27/1017447727.db2.gz KJVBFMXUZBNZQI-LLVKDONJSA-N 0 3 315.866 3.927 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccc(OC)c(F)c2)cc1 ZINC000113317752 1017549976 /nfs/dbraw/zinc/54/99/76/1017549976.db2.gz DSDDURYWIHKTSK-UHFFFAOYSA-N 0 3 313.372 3.526 20 30 DHEDHN CCc1oc2ccccc2c1CN1CCC(C#N)(COC)CC1 ZINC000342843216 1017556374 /nfs/dbraw/zinc/55/63/74/1017556374.db2.gz VDBDJVHLHBZMAU-UHFFFAOYSA-N 0 3 312.413 3.747 20 30 DHEDHN COc1ccc(C#N)cc1CN(C)CC1(c2ccccc2)CC1 ZINC000444668775 1017618846 /nfs/dbraw/zinc/61/88/46/1017618846.db2.gz DAXZYKXRQZNLQU-UHFFFAOYSA-N 0 3 306.409 3.730 20 30 DHEDHN C=CCOCCCNCc1ccc(Sc2ccccn2)o1 ZINC000657658949 1017687273 /nfs/dbraw/zinc/68/72/73/1017687273.db2.gz LHEIGLOTZZGNCV-UHFFFAOYSA-N 0 3 304.415 3.508 20 30 DHEDHN C#CCC1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000897337144 1017776484 /nfs/dbraw/zinc/77/64/84/1017776484.db2.gz WUHHMXIQIDIHMG-UHFFFAOYSA-N 0 3 313.357 3.552 20 30 DHEDHN C=CC[C@H]1CCN(Cc2nc3cc(Br)ccc3o2)C1 ZINC000625700311 1017777153 /nfs/dbraw/zinc/77/71/53/1017777153.db2.gz BAPXGLIMRONXJB-NSHDSACASA-N 0 3 321.218 3.988 20 30 DHEDHN C[C@H]1CCCCN1c1cccc(NCc2ccccc2C#N)n1 ZINC001167636260 1017827950 /nfs/dbraw/zinc/82/79/50/1017827950.db2.gz ZZCSHWIFRZEIIF-HNNXBMFYSA-N 0 3 306.413 3.944 20 30 DHEDHN CC(C)[C@@H](C(=O)Nc1ccc2[nH]cnc2c1)N1CCCCC1 ZINC000329118185 1017951909 /nfs/dbraw/zinc/95/19/09/1017951909.db2.gz UVZKJBWKZGVHGS-INIZCTEOSA-N 0 3 300.406 3.661 20 30 DHEDHN C=CC(C)(C)CC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC001128716583 1017979817 /nfs/dbraw/zinc/97/98/17/1017979817.db2.gz LRHMIGYMQZXZIA-FUHWJXTLSA-N 0 3 312.457 3.732 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(Cl)cccc1OC(F)F ZINC000643793907 1018023529 /nfs/dbraw/zinc/02/35/29/1018023529.db2.gz IMQABFNJOKMKQX-GWCFXTLKSA-N 0 3 317.763 3.622 20 30 DHEDHN C=C[C@H](CC)CC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001626102688 1018030641 /nfs/dbraw/zinc/03/06/41/1018030641.db2.gz QNOKIUAKJPRGSI-IEBWSBKVSA-N 0 3 314.473 3.850 20 30 DHEDHN CC(C)(C#N)CCN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858028340 1032752526 /nfs/dbraw/zinc/75/25/26/1032752526.db2.gz GFSUWOINJRJHBY-QGZVFWFLSA-N 0 3 313.445 3.742 20 30 DHEDHN C[C@@H](NCc1ccccc1Cn1cccn1)c1ccc(C#N)cc1 ZINC000173843983 1018364942 /nfs/dbraw/zinc/36/49/42/1018364942.db2.gz ZIZOWUFADQIQAB-MRXNPFEDSA-N 0 3 316.408 3.654 20 30 DHEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000173938715 1018375170 /nfs/dbraw/zinc/37/51/70/1018375170.db2.gz MZIYCRLAJLBNMF-UONOGXRCSA-N 0 3 319.408 3.855 20 30 DHEDHN CCC[C@]1(COC)CCCN1Cc1ccc(C#N)cc1Cl ZINC000447403392 1018389880 /nfs/dbraw/zinc/38/98/80/1018389880.db2.gz OGOMPWCCYMFSGV-QGZVFWFLSA-N 0 3 306.837 3.993 20 30 DHEDHN CCC[C@@]1(COC)CCCN1Cc1ccc(C#N)cc1Cl ZINC000447403391 1018390490 /nfs/dbraw/zinc/39/04/90/1018390490.db2.gz OGOMPWCCYMFSGV-KRWDZBQOSA-N 0 3 306.837 3.993 20 30 DHEDHN N#Cc1ccc2ncc(CN[C@@H]3CCCc4ccc(F)cc43)n2c1 ZINC000527241681 1018535723 /nfs/dbraw/zinc/53/57/23/1018535723.db2.gz NJMPCGIZMXGFJO-GOSISDBHSA-N 0 3 320.371 3.512 20 30 DHEDHN Cc1cccc(C)c1[C@H](C)NCc1cnc2ccc(C#N)cn12 ZINC000583579918 1018570477 /nfs/dbraw/zinc/57/04/77/1018570477.db2.gz OHTRNXWCZMCCAK-HNNXBMFYSA-N 0 3 304.397 3.674 20 30 DHEDHN C=C[C@H](CC(=O)N(CCN(C)C)c1ccccc1)c1ccccc1 ZINC000536097662 1018617250 /nfs/dbraw/zinc/61/72/50/1018617250.db2.gz FZOGVRPARKYHFY-GOSISDBHSA-N 0 3 322.452 3.941 20 30 DHEDHN C=CCN(Cc1cc(Cl)cc2cccnc21)[C@H](C)COC ZINC000661244880 1018704461 /nfs/dbraw/zinc/70/44/61/1018704461.db2.gz XCZPBMLGDQQKQK-CYBMUJFWSA-N 0 3 304.821 3.911 20 30 DHEDHN N#Cc1cc(CN[C@H](c2ccccc2)C2CCOCC2)cs1 ZINC000921746750 1018752723 /nfs/dbraw/zinc/75/27/23/1018752723.db2.gz HMZVAASKPQVOCW-GOSISDBHSA-N 0 3 312.438 3.877 20 30 DHEDHN CCN(CC)[C@@H](CNCc1csc(C#N)c1)c1ccsc1 ZINC000921524548 1018819386 /nfs/dbraw/zinc/81/93/86/1018819386.db2.gz OXKCJVOFPWPKBA-INIZCTEOSA-N 0 3 319.499 3.854 20 30 DHEDHN N#CCCCCN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000263825007 1032791200 /nfs/dbraw/zinc/79/12/00/1032791200.db2.gz RVQHXIAWIDBOPJ-UHFFFAOYSA-N 0 3 306.356 3.553 20 30 DHEDHN CC[C@@H](C)[C@H](C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000584056092 1018906545 /nfs/dbraw/zinc/90/65/45/1018906545.db2.gz DVBLCULINIPATD-OLZOCXBDSA-N 0 3 301.390 3.865 20 30 DHEDHN C=C[C@@H](CO)N[C@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000353564730 1019113429 /nfs/dbraw/zinc/11/34/29/1019113429.db2.gz HXYNZOAAHZGOLS-WFASDCNBSA-N 0 3 324.262 3.698 20 30 DHEDHN C=CCOc1ccc(CNCc2ccc(N(C)C(C)=O)cc2)cc1 ZINC000858248585 1032814408 /nfs/dbraw/zinc/81/44/08/1032814408.db2.gz CBRJBEOBWFMKQU-UHFFFAOYSA-N 0 3 324.424 3.524 20 30 DHEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)c1ccccc1C ZINC000159750679 1019221123 /nfs/dbraw/zinc/22/11/23/1019221123.db2.gz JRKKRJBTYJILGR-HXUWFJFHSA-N 0 3 306.409 3.588 20 30 DHEDHN N#CC(C(=O)Nc1cccc(F)c1)c1nc2ccccc2s1 ZINC000338624634 1019366704 /nfs/dbraw/zinc/36/67/04/1019366704.db2.gz GUHTYEVYKMYMPI-GFCCVEGCSA-N 0 3 311.341 3.681 20 30 DHEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@H]2CC(C)C)CC1 ZINC000077823471 1019385767 /nfs/dbraw/zinc/38/57/67/1019385767.db2.gz SQARDUZPANCLFZ-SFHVURJKSA-N 0 3 321.509 3.637 20 30 DHEDHN Cc1ccncc1[C@@H](C)NCc1cccc(OCCCC#N)c1 ZINC000611293082 1019438232 /nfs/dbraw/zinc/43/82/32/1019438232.db2.gz CHCNGVKJSIPNKT-MRXNPFEDSA-N 0 3 309.413 3.923 20 30 DHEDHN N#CCC[C@H](N[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC000611337066 1019448705 /nfs/dbraw/zinc/44/87/05/1019448705.db2.gz OCINGTVIFMFBQD-ICSRJNTNSA-N 0 3 305.425 3.900 20 30 DHEDHN Cc1ccsc1[C@H](CO)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394670 1019472121 /nfs/dbraw/zinc/47/21/21/1019472121.db2.gz WAZRZZJFJAZJLE-SJORKVTESA-N 0 3 312.438 3.629 20 30 DHEDHN N#Cc1cc(CN2CCC[C@H](c3ccc(F)cc3)CC2)ccn1 ZINC000611503164 1019505805 /nfs/dbraw/zinc/50/58/05/1019505805.db2.gz HJOFMVAIUDSEDS-INIZCTEOSA-N 0 3 309.388 3.862 20 30 DHEDHN CC(N=Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N)cc1 ZINC000727650257 1019745954 /nfs/dbraw/zinc/74/59/54/1019745954.db2.gz SZSJHGXACPSZBX-UHFFFAOYSA-N 0 3 304.737 3.667 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnn(CC2CCC2)c1 ZINC000922191817 1019820010 /nfs/dbraw/zinc/82/00/10/1019820010.db2.gz XIHMWHHRBOBGHU-FQEVSTJZSA-N 0 3 320.440 3.722 20 30 DHEDHN COc1ccc([C@H]2C[C@H](NCc3ccccc3C#N)CCO2)cc1 ZINC001168590622 1019868159 /nfs/dbraw/zinc/86/81/59/1019868159.db2.gz QAYCBAGMVFAMQM-UYAOXDASSA-N 0 3 322.408 3.577 20 30 DHEDHN C[C@@H]1CCCCN1c1cccc(NCCc2ccc(C#N)cc2)n1 ZINC001167678615 1019968316 /nfs/dbraw/zinc/96/83/16/1019968316.db2.gz QXYYRKSAFRADNS-MRXNPFEDSA-N 0 3 320.440 3.987 20 30 DHEDHN C=CC(C)(C)CCCNCc1csc(-c2ccn(C)n2)n1 ZINC000922325153 1020004222 /nfs/dbraw/zinc/00/42/22/1020004222.db2.gz YIEOKDXUGMAOQR-UHFFFAOYSA-N 0 3 304.463 3.626 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N1CCC(F)(c2ccccn2)CC1 ZINC000347712078 1020005568 /nfs/dbraw/zinc/00/55/68/1020005568.db2.gz XJHCSWPSSUUQTM-OAHLLOKOSA-N 0 3 309.388 3.975 20 30 DHEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000318125781 1020028618 /nfs/dbraw/zinc/02/86/18/1020028618.db2.gz MQKWEVKPQPNTJR-CGTJXYLNSA-N 0 3 318.848 3.727 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@@H]3OCC[C@H]32)c([O-])c1 ZINC000255623196 1020038216 /nfs/dbraw/zinc/03/82/16/1020038216.db2.gz RXKGCCLTKJBMJD-XALVKOJYSA-N 0 3 316.445 3.615 20 30 DHEDHN CCCCCCCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000731465708 1020106044 /nfs/dbraw/zinc/10/60/44/1020106044.db2.gz MGLUXBAUOGUAJN-QGZVFWFLSA-N 0 3 302.462 3.866 20 30 DHEDHN CC[C@H](C)CN(C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000732205528 1020213053 /nfs/dbraw/zinc/21/30/53/1020213053.db2.gz JKBTYZSOWJMKEM-HNNXBMFYSA-N 0 3 315.461 3.528 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)cc1C)c1ccc2c(c1)OCCO2 ZINC000186320465 1020235678 /nfs/dbraw/zinc/23/56/78/1020235678.db2.gz FBFOMMZWEVOFGY-SFHVURJKSA-N 0 3 322.408 3.879 20 30 DHEDHN CCCOc1cc(CNCc2ccc(C)c(C#N)c2)ccc1OC ZINC000922761097 1020250317 /nfs/dbraw/zinc/25/03/17/1020250317.db2.gz GOIOSDIEKGHGMU-UHFFFAOYSA-N 0 3 324.424 3.954 20 30 DHEDHN Cc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cc1C#N ZINC000922760086 1020252960 /nfs/dbraw/zinc/25/29/60/1020252960.db2.gz OKGZSDHOOQGVGV-UHFFFAOYSA-N 0 3 301.393 3.712 20 30 DHEDHN Cc1ccc(CNCc2ccc3c(c2)OCCCCO3)cc1C#N ZINC000922760617 1020255195 /nfs/dbraw/zinc/25/51/95/1020255195.db2.gz XAXUXJCUOZKIGG-UHFFFAOYSA-N 0 3 322.408 3.708 20 30 DHEDHN Cc1ccc2c(c1)[C@@H](NCc1cnc3ccc(C#N)cn13)CCC2 ZINC000179361700 1020272783 /nfs/dbraw/zinc/27/27/83/1020272783.db2.gz ATBXCURVJLHRJL-IBGZPJMESA-N 0 3 316.408 3.682 20 30 DHEDHN CC(=O)c1ccc2c(c1)CCN(Cc1ccc(C)c(C#N)c1)CC2 ZINC000625262946 1020435675 /nfs/dbraw/zinc/43/56/75/1020435675.db2.gz AVYMCKNPNCFHHT-UHFFFAOYSA-N 0 3 318.420 3.670 20 30 DHEDHN C=CC[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccncc1 ZINC000766020899 1020468775 /nfs/dbraw/zinc/46/87/75/1020468775.db2.gz QQVFXFFMKHGKKT-KSSFIOAISA-N 0 3 321.424 3.934 20 30 DHEDHN C=C1CCC(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)CC1 ZINC000892490919 1020527909 /nfs/dbraw/zinc/52/79/09/1020527909.db2.gz ZSHZNWIZSHGFDV-ZDUSSCGKSA-N 0 3 316.788 3.734 20 30 DHEDHN CCCCCCC[C@H](C)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000734269352 1020579156 /nfs/dbraw/zinc/57/91/56/1020579156.db2.gz IBNVLDTVKSWUCG-HOTGVXAUSA-N 0 3 309.498 3.519 20 30 DHEDHN N#Cc1cccc(C#N)c1NC1CCN(Cc2cccs2)CC1 ZINC000365458882 1020636142 /nfs/dbraw/zinc/63/61/42/1020636142.db2.gz KDIFTEMZMUMDNM-UHFFFAOYSA-N 0 3 322.437 3.568 20 30 DHEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)c2c(n1)CCCC2 ZINC000892520686 1020802261 /nfs/dbraw/zinc/80/22/61/1020802261.db2.gz CHXHGYJKJYVZIG-HNNXBMFYSA-N 0 3 305.425 3.991 20 30 DHEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000177791004 1020803240 /nfs/dbraw/zinc/80/32/40/1020803240.db2.gz IJPNACUFKXGBAQ-LSDHHAIUSA-N 0 3 323.392 3.839 20 30 DHEDHN C#CCN(Cc1ccc(Br)cn1)C1CCCCC1 ZINC000738310051 1020872127 /nfs/dbraw/zinc/87/21/27/1020872127.db2.gz VJNKHKPGUZMZQI-UHFFFAOYSA-N 0 3 307.235 3.612 20 30 DHEDHN COC[C@@H](NCC(C)(C)CC#N)c1cccc(C(F)(F)F)c1 ZINC000414174491 1020962224 /nfs/dbraw/zinc/96/22/24/1020962224.db2.gz XZCZHSKSYCWLRD-CQSZACIVSA-N 0 3 314.351 3.922 20 30 DHEDHN N#CCOc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000264525913 1032949904 /nfs/dbraw/zinc/94/99/04/1032949904.db2.gz BUSKAHGPBYLOEN-UHFFFAOYSA-N 0 3 317.392 3.625 20 30 DHEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccc(COC)c2)c1 ZINC000742371022 1021113623 /nfs/dbraw/zinc/11/36/23/1021113623.db2.gz FWAZHVQWWRTNKE-IBGZPJMESA-N 0 3 324.424 3.804 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(OC)cc2CC)cc1 ZINC001202465860 1021265007 /nfs/dbraw/zinc/26/50/07/1021265007.db2.gz HITXYZBDQYTKBM-UHFFFAOYSA-N 0 3 309.409 3.559 20 30 DHEDHN C#Cc1cccc(NC(=O)CN(C)[C@@H](C)CCc2ccccc2)c1 ZINC000917829848 1021379554 /nfs/dbraw/zinc/37/95/54/1021379554.db2.gz BILYQOXNCGSEHZ-KRWDZBQOSA-N 0 3 320.436 3.560 20 30 DHEDHN COc1cc(CN(CCCC#N)C2CC2)ccc1OC(F)F ZINC000053137794 1021415063 /nfs/dbraw/zinc/41/50/63/1021415063.db2.gz SNKDSAUHGZXOKS-UHFFFAOYSA-N 0 3 310.344 3.565 20 30 DHEDHN C[C@H](NCCOc1ccccc1C#N)c1cccc(F)c1F ZINC000181998811 1021424375 /nfs/dbraw/zinc/42/43/75/1021424375.db2.gz OPYWNVQMDZCDLF-LBPRGKRZSA-N 0 3 302.324 3.566 20 30 DHEDHN Cc1ccn(-c2ccccc2CN[C@H](C)c2cccc(C#N)c2)n1 ZINC000182026913 1021442109 /nfs/dbraw/zinc/44/21/09/1021442109.db2.gz XCRVGILSRISHCM-MRXNPFEDSA-N 0 3 316.408 3.903 20 30 DHEDHN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(-n2ccnn2)cc1 ZINC000182076535 1021469063 /nfs/dbraw/zinc/46/90/63/1021469063.db2.gz XCJGNPSZPGWVBT-HUUCEWRRSA-N 0 3 317.396 3.551 20 30 DHEDHN C[C@H](C#N)Oc1ccc(CNC(C)(C)c2cccc(C#N)c2)cc1 ZINC000850357125 1021485464 /nfs/dbraw/zinc/48/54/64/1021485464.db2.gz YTGWKQURHZQTBD-OAHLLOKOSA-N 0 3 319.408 3.874 20 30 DHEDHN N#CC1(c2ccc(CN[C@@H]3C[C@@H](O)c4ccccc43)cc2)CC1 ZINC000850372919 1021497568 /nfs/dbraw/zinc/49/75/68/1021497568.db2.gz BEQXKDOJGIMHMT-RTBURBONSA-N 0 3 304.393 3.510 20 30 DHEDHN CC(C)[C@H](NCc1ccc(C#N)o1)[C@H](O)c1ccc(Cl)cc1 ZINC000850413852 1021520251 /nfs/dbraw/zinc/52/02/51/1021520251.db2.gz UKFQVTAMMGCUAN-DLBZAZTESA-N 0 3 318.804 3.652 20 30 DHEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1N(C)C ZINC000618803205 1021531488 /nfs/dbraw/zinc/53/14/88/1021531488.db2.gz QQZQFWHGLJSVRC-IFXJQAMLSA-N 0 3 305.425 3.962 20 30 DHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000618805611 1021532413 /nfs/dbraw/zinc/53/24/13/1021532413.db2.gz OTQSNXNVDIGTRH-SGTLLEGYSA-N 0 3 307.353 3.805 20 30 DHEDHN Cc1c([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)cnn1C(C)C ZINC000618807429 1021534331 /nfs/dbraw/zinc/53/43/31/1021534331.db2.gz YSCSOCQHQLCRKH-ORAYPTAESA-N 0 3 308.429 3.982 20 30 DHEDHN N#CC(C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1nc2ccccc2[nH]1 ZINC000850739145 1021633510 /nfs/dbraw/zinc/63/35/10/1021633510.db2.gz STAXOLVAEXJLTA-OEUWWYETSA-N 0 3 307.397 3.956 20 30 DHEDHN N#CC(C(=O)CC1(C#N)CCCCC1)c1nc2ccccc2[nH]1 ZINC000850739767 1021635077 /nfs/dbraw/zinc/63/50/77/1021635077.db2.gz XUFHRIAUCKEZCP-CYBMUJFWSA-N 0 3 306.369 3.603 20 30 DHEDHN CC(C)(CC(F)(F)F)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782658 1021650932 /nfs/dbraw/zinc/65/09/32/1021650932.db2.gz PQOJNHCDONHTBH-SECBINFHSA-N 0 3 310.275 3.983 20 30 DHEDHN CC1(C)CN(C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000763568382 1021742902 /nfs/dbraw/zinc/74/29/02/1021742902.db2.gz XNDMZGQKHNROOO-RTBURBONSA-N 0 3 306.409 3.675 20 30 DHEDHN CC[C@H](C)Oc1cc(CNCC2(CC#N)CC2)ccc1OC ZINC000619530035 1021781350 /nfs/dbraw/zinc/78/13/50/1021781350.db2.gz AYXVWJUEIUYIFC-AWEZNQCLSA-N 0 3 302.418 3.656 20 30 DHEDHN C[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccc(C#N)cc1F ZINC000619781269 1021892887 /nfs/dbraw/zinc/89/28/87/1021892887.db2.gz HTFPNGQMAQIPBA-HIFRSBDPSA-N 0 3 302.393 3.840 20 30 DHEDHN CCCCCCCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000851646415 1021958192 /nfs/dbraw/zinc/95/81/92/1021958192.db2.gz VYOPKTMYWJLFFD-KRWDZBQOSA-N 0 3 304.434 3.647 20 30 DHEDHN CC[C@@H](/[NH+]=C/c1ccc(N(CC)CC)cc1[O-])C1CCOCC1 ZINC000746393880 1022060442 /nfs/dbraw/zinc/06/04/42/1022060442.db2.gz LXFMRSYRUATEDW-SQVRNEIYSA-N 0 3 318.461 3.863 20 30 DHEDHN C#C[C@@](C)(CC)NCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000852101261 1022074804 /nfs/dbraw/zinc/07/48/04/1022074804.db2.gz OISOJXRYZIXJPX-FQEVSTJZSA-N 0 3 306.409 3.830 20 30 DHEDHN C#CCN(CC)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000746457809 1022110808 /nfs/dbraw/zinc/11/08/08/1022110808.db2.gz QURBLJIWTGHZLK-INIZCTEOSA-N 0 3 306.409 3.955 20 30 DHEDHN C[C@H]1CCCN(CCC(C)(C)C#N)[C@H]1CNC(=O)OC(C)(C)C ZINC000776588623 1022115216 /nfs/dbraw/zinc/11/52/16/1022115216.db2.gz ADONTEUAAPOTGB-GJZGRUSLSA-N 0 3 323.481 3.551 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/CCOCCC(C)C)c([O-])c1 ZINC000921260634 1022238927 /nfs/dbraw/zinc/23/89/27/1022238927.db2.gz CLYGIJDZEMYYST-XMHGGMMESA-N 0 3 306.450 3.720 20 30 DHEDHN C=C(CNCc1cc2c(cc1OC)C[C@@H](C)O2)c1ccccc1 ZINC000620756459 1022282783 /nfs/dbraw/zinc/28/27/83/1022282783.db2.gz BHSRVUULPPQHOH-OAHLLOKOSA-N 0 3 309.409 3.822 20 30 DHEDHN C#C[C@H](C)[N@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000766666602 1022380848 /nfs/dbraw/zinc/38/08/48/1022380848.db2.gz XNEUSLQKDUWWEQ-NSHDSACASA-N 0 3 318.214 3.761 20 30 DHEDHN C#C[C@H](C)[N@@H+](C)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000766666602 1022380856 /nfs/dbraw/zinc/38/08/56/1022380856.db2.gz XNEUSLQKDUWWEQ-NSHDSACASA-N 0 3 318.214 3.761 20 30 DHEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)c(F)c1 ZINC000609916310 1022381758 /nfs/dbraw/zinc/38/17/58/1022381758.db2.gz IRQFBEXBAJRYRL-INIZCTEOSA-N 0 3 312.363 3.901 20 30 DHEDHN CS[C@H](C)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000103330753 1022506880 /nfs/dbraw/zinc/50/68/80/1022506880.db2.gz ALPRSMBAMIJAMA-VXNVDRBHSA-N 0 3 310.831 3.877 20 30 DHEDHN C=CC[C@H]1N(Cc2cnnn2-c2ccccc2)CCCC1(C)C ZINC001169844217 1022562461 /nfs/dbraw/zinc/56/24/61/1022562461.db2.gz MFSZLHFKCHORGG-GOSISDBHSA-N 0 3 310.445 3.834 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000113311291 1022626751 /nfs/dbraw/zinc/62/67/51/1022626751.db2.gz YKZIFGQPIDIQDU-ZDUSSCGKSA-N 0 3 301.336 3.828 20 30 DHEDHN C#CCOc1ccc(CN[C@H]2CCCOc3ccccc32)cc1 ZINC000113331830 1022636461 /nfs/dbraw/zinc/63/64/61/1022636461.db2.gz UUMRYZNVICUGNI-IBGZPJMESA-N 0 3 307.393 3.702 20 30 DHEDHN Cc1ccn2cc(CN(C)[C@H](C)Cc3ccc(C#N)cc3)nc2c1 ZINC001172315048 1033082006 /nfs/dbraw/zinc/08/20/06/1033082006.db2.gz IYMRDHDRMXFHTR-MRXNPFEDSA-N 0 3 318.424 3.577 20 30 DHEDHN C=CCC[C@@H](C(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617008762 1022824988 /nfs/dbraw/zinc/82/49/88/1022824988.db2.gz LOCKHAZSKACMGW-QZTJIDSGSA-N 0 3 314.473 3.725 20 30 DHEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000180822143 1022842167 /nfs/dbraw/zinc/84/21/67/1022842167.db2.gz NMQTXOZVCJSEPQ-CQSZACIVSA-N 0 3 320.371 3.734 20 30 DHEDHN CCCc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)s1 ZINC000857049613 1022934970 /nfs/dbraw/zinc/93/49/70/1022934970.db2.gz NBZKDCQPCOFCIK-GOSISDBHSA-N 0 3 314.454 3.738 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)cc1 ZINC000123621120 1023050361 /nfs/dbraw/zinc/05/03/61/1023050361.db2.gz UJEKVQHUSRCROH-QGZVFWFLSA-N 0 3 324.380 3.512 20 30 DHEDHN C=CC[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000617785357 1023055555 /nfs/dbraw/zinc/05/55/55/1023055555.db2.gz JFWRATVLSCFMNK-QGZVFWFLSA-N 0 3 312.457 3.711 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCCC)cc1C ZINC000876607500 1033103546 /nfs/dbraw/zinc/10/35/46/1033103546.db2.gz VHZDVAQKRMEXFQ-AWEZNQCLSA-N 0 3 310.825 3.582 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1cccs1)C(CC)CC ZINC000876614799 1033106374 /nfs/dbraw/zinc/10/63/74/1033106374.db2.gz PFGCOEVBSUXSDF-GXTWGEPZSA-N 0 3 314.882 3.812 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000876650296 1033115551 /nfs/dbraw/zinc/11/55/51/1033115551.db2.gz ANHCXKQGNPLQMG-JQWIXIFHSA-N 0 3 308.834 3.548 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000876745028 1033131665 /nfs/dbraw/zinc/13/16/65/1033131665.db2.gz ILNMCFIKUSACPQ-MRXNPFEDSA-N 0 3 321.852 3.840 20 30 DHEDHN C=CCN(Cc1ccccc1)C(=O)Nc1cccc(CN(C)C)c1 ZINC000044276733 1023434380 /nfs/dbraw/zinc/43/43/80/1023434380.db2.gz WQOLPTDAFRQYGI-UHFFFAOYSA-N 0 3 323.440 3.968 20 30 DHEDHN C=CC[C@@H]1CC[C@@H](NCc2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000651749863 1023514196 /nfs/dbraw/zinc/51/41/96/1023514196.db2.gz LVGGSBHFLNMGPF-DGCLKSJQSA-N 0 3 324.350 3.583 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@@H](OC(C)C)C2)cc1OC ZINC000651897361 1023619988 /nfs/dbraw/zinc/61/99/88/1023619988.db2.gz YVVWUYZZHUTYPS-QGZVFWFLSA-N 0 3 319.445 3.649 20 30 DHEDHN C=CCOc1ccc(CN2CCC[C@H](OC(C)C)C2)cc1OC ZINC000651897360 1023620109 /nfs/dbraw/zinc/62/01/09/1023620109.db2.gz YVVWUYZZHUTYPS-KRWDZBQOSA-N 0 3 319.445 3.649 20 30 DHEDHN C=CCN(CC(=O)N(C)[C@H](C)c1ccccc1OC)C(C)(C)C ZINC000661756302 1023731054 /nfs/dbraw/zinc/73/10/54/1023731054.db2.gz JJELIDVTTJTLQD-OAHLLOKOSA-N 0 3 318.461 3.501 20 30 DHEDHN C=CCC1(NCc2nc3ccc(Cl)cc3c(=O)[nH]2)CCCC1 ZINC000661862228 1023783553 /nfs/dbraw/zinc/78/35/53/1023783553.db2.gz FLEJKHVBOYPUAA-UHFFFAOYSA-N 0 3 317.820 3.967 20 30 DHEDHN N#CCOc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1 ZINC000859563365 1033168439 /nfs/dbraw/zinc/16/84/39/1033168439.db2.gz RPBVRRWWIODMRY-LJQANCHMSA-N 0 3 307.397 3.615 20 30 DHEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000662082989 1023894574 /nfs/dbraw/zinc/89/45/74/1023894574.db2.gz ZBRXSAGEZUEPRJ-BMFZPTHFSA-N 0 3 316.470 3.919 20 30 DHEDHN C=CC[C@@H](CC)N[C@@H](C)c1nc(Br)ccc1F ZINC000788813831 1023945253 /nfs/dbraw/zinc/94/52/53/1023945253.db2.gz JGRRSGCGEBLEJR-VHSXEESVSA-N 0 3 301.203 3.989 20 30 DHEDHN C#CCn1ccc(CN(CC)C[C@@H](C)CCc2ccccc2)n1 ZINC000789761981 1024158188 /nfs/dbraw/zinc/15/81/88/1024158188.db2.gz OBNKMROCIPBNIC-SFHVURJKSA-N 0 3 309.457 3.607 20 30 DHEDHN C#CCCOc1ccc(CN(C)Cc2cccc(C#N)c2)cc1 ZINC000130770246 1024216897 /nfs/dbraw/zinc/21/68/97/1024216897.db2.gz CBNMNFUYVYEOAF-UHFFFAOYSA-N 0 3 304.393 3.592 20 30 DHEDHN C#Cc1ccc(CNCc2ccc(OC)c(OC3CC3)c2)cc1 ZINC000883132429 1024253966 /nfs/dbraw/zinc/25/39/66/1024253966.db2.gz QVHJEKQJTCBRLM-UHFFFAOYSA-N 0 3 307.393 3.508 20 30 DHEDHN CC(C)c1nc(CCNCc2ccc(C#N)cc2F)cs1 ZINC000269443515 1024278265 /nfs/dbraw/zinc/27/82/65/1024278265.db2.gz UAAYDVGTRWJFNH-UHFFFAOYSA-N 0 3 303.406 3.610 20 30 DHEDHN C=CCCC[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC000883216340 1024295171 /nfs/dbraw/zinc/29/51/71/1024295171.db2.gz OLYJBGZDCDCVMY-ZWKOTPCHSA-N 0 3 321.486 3.641 20 30 DHEDHN CCCCCCCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000876988269 1033200280 /nfs/dbraw/zinc/20/02/80/1033200280.db2.gz XGRMEMRUGOZWSY-CQSZACIVSA-N 0 3 311.857 3.520 20 30 DHEDHN C=CCc1cc(OC)cc(CN(C)Cc2ccn(CC)c2)c1O ZINC000790446084 1024304478 /nfs/dbraw/zinc/30/44/78/1024304478.db2.gz DWYQMNMURGACOX-UHFFFAOYSA-N 0 3 314.429 3.583 20 30 DHEDHN C=CCC[C@H](NC[C@@H]1CCC2(CCOCC2)CO1)c1ccco1 ZINC000883263347 1024337446 /nfs/dbraw/zinc/33/74/46/1024337446.db2.gz QDHXIMRXTMPXLP-IRXDYDNUSA-N 0 3 319.445 3.852 20 30 DHEDHN C#CCOc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000790696598 1024357776 /nfs/dbraw/zinc/35/77/76/1024357776.db2.gz UMJAMEBWEMZKIH-HNNXBMFYSA-N 0 3 324.380 3.766 20 30 DHEDHN N#Cc1ccc(OCCNCc2cccc(Cl)c2F)cc1 ZINC000531848134 1024394199 /nfs/dbraw/zinc/39/41/99/1024394199.db2.gz FZDFOWIIGQOGTE-UHFFFAOYSA-N 0 3 304.752 3.519 20 30 DHEDHN C=C(C)[C@@H](N[C@H](C)Cc1cnccn1)c1ccc(F)c(F)c1 ZINC000453197032 1024396058 /nfs/dbraw/zinc/39/60/58/1024396058.db2.gz MZZNZTXNHVAETO-SJKOYZFVSA-N 0 3 303.356 3.593 20 30 DHEDHN CC(C)(C)c1nc(CCNCc2ccc(C#N)cc2F)cs1 ZINC000270801841 1024429887 /nfs/dbraw/zinc/42/98/87/1024429887.db2.gz JTZFGDRQQPTWDS-UHFFFAOYSA-N 0 3 317.433 3.784 20 30 DHEDHN C=CC(C)(C)CN[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000453314331 1024458034 /nfs/dbraw/zinc/45/80/34/1024458034.db2.gz YJAPWCODGDYWRH-LBPRGKRZSA-N 0 3 302.397 3.578 20 30 DHEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCC[C@H]2OC)c([O-])c1 ZINC000132365881 1024472727 /nfs/dbraw/zinc/47/27/27/1024472727.db2.gz QQGUSKLYJHMQKD-CYJQLDTJSA-N 0 3 304.434 3.615 20 30 DHEDHN C[C@@H](c1ccc(C#N)c(F)c1)N1CCC[C@]2(CCSC2)C1 ZINC000453353574 1024477845 /nfs/dbraw/zinc/47/78/45/1024477845.db2.gz JPMBGSNBQZWUSS-GUYCJALGSA-N 0 3 304.434 3.977 20 30 DHEDHN C[C@H](c1ccc(C#N)c(F)c1)N1CCC[C@]2(CCSC2)C1 ZINC000453353573 1024478473 /nfs/dbraw/zinc/47/84/73/1024478473.db2.gz JPMBGSNBQZWUSS-DYVFJYSZSA-N 0 3 304.434 3.977 20 30 DHEDHN CC(C)OC(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000271641544 1024557054 /nfs/dbraw/zinc/55/70/54/1024557054.db2.gz HAFFYUZVPNECQF-HNNXBMFYSA-N 0 3 322.408 3.974 20 30 DHEDHN N#Cc1cnc(Cl)c(CNCC2(c3cccc(F)c3)CC2)c1 ZINC000877050241 1033219929 /nfs/dbraw/zinc/21/99/29/1033219929.db2.gz ZKPUBPPWQDGBQE-UHFFFAOYSA-N 0 3 315.779 3.567 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2CCC)CC1 ZINC000106319192 1024599132 /nfs/dbraw/zinc/59/91/32/1024599132.db2.gz MAEUFGDYPCEYTQ-UHFFFAOYSA-N 0 3 315.461 3.801 20 30 DHEDHN N#Cc1ccc2ncc(CN[C@H](CC3CC3)c3ccccc3)n2c1 ZINC000585766644 1024605319 /nfs/dbraw/zinc/60/53/19/1024605319.db2.gz ZFWASBYFMRTUDL-LJQANCHMSA-N 0 3 316.408 3.837 20 30 DHEDHN CCCCCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000759956431 1024608187 /nfs/dbraw/zinc/60/81/87/1024608187.db2.gz KRXHTAXZROABFV-HKUYNNGSSA-N 0 3 302.462 3.909 20 30 DHEDHN N#CC(C(=O)CCC1CCOCC1)c1nccc2ccccc21 ZINC000792103285 1024626142 /nfs/dbraw/zinc/62/61/42/1024626142.db2.gz RLHSTLLCCGZSTA-KRWDZBQOSA-N 0 3 308.381 3.618 20 30 DHEDHN CCOc1cc2c(cc1OCC)CN([C@H](C)CCCC#N)CC2 ZINC001172498102 1033228491 /nfs/dbraw/zinc/22/84/91/1033228491.db2.gz IUPVFLLVZARBBK-OAHLLOKOSA-N 0 3 316.445 3.924 20 30 DHEDHN CN1CCCC[C@H]1c1ccc(NCc2ccc(C#N)s2)nc1 ZINC001170200083 1024699493 /nfs/dbraw/zinc/69/94/93/1024699493.db2.gz VLJHQVARTXDSRF-INIZCTEOSA-N 0 3 312.442 3.784 20 30 DHEDHN C[C@H](c1ccc(F)cc1)N1CCN([C@@H](C)CCCC#N)CC1 ZINC001172504771 1033233881 /nfs/dbraw/zinc/23/38/81/1033233881.db2.gz IQSKMNWYUCXYTA-JKSUJKDBSA-N 0 3 303.425 3.587 20 30 DHEDHN CC(C)O[C@H]1C[C@H](NCC#Cc2ccccc2Cl)C1(C)C ZINC001307778620 1024750056 /nfs/dbraw/zinc/75/00/56/1024750056.db2.gz OMARNRDGOINRBQ-IRXDYDNUSA-N 0 3 305.849 3.873 20 30 DHEDHN N#CC1(c2ccccc2)CCC(NCC(=O)c2ccccc2)CC1 ZINC001170358954 1024750388 /nfs/dbraw/zinc/75/03/88/1024750388.db2.gz IEFGOGPZFPHLDQ-UHFFFAOYSA-N 0 3 318.420 3.863 20 30 DHEDHN N#CC1(c2ccccc2)CCC(N2CCc3ncsc3C2)CC1 ZINC001170388777 1024760980 /nfs/dbraw/zinc/76/09/80/1024760980.db2.gz FCXFVMHTWRDLGG-UHFFFAOYSA-N 0 3 323.465 3.905 20 30 DHEDHN CCCCCCC[C@H](CCC)N1CC[C@H](S(C)(=O)=O)C1 ZINC001172511249 1033238675 /nfs/dbraw/zinc/23/86/75/1033238675.db2.gz PFQFWBSQTUHDNM-HOTGVXAUSA-N 0 3 303.512 3.635 20 30 DHEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1ccc2ccccc2c1 ZINC000877093400 1033239285 /nfs/dbraw/zinc/23/92/85/1033239285.db2.gz SCDFTQRLVIHMNU-MRXNPFEDSA-N 0 3 316.832 3.661 20 30 DHEDHN C#CCCOc1ccc(CNCc2cccc(COC)c2)cc1 ZINC000113322750 1024798212 /nfs/dbraw/zinc/79/82/12/1024798212.db2.gz ZLGZLFDNTDWDTN-UHFFFAOYSA-N 0 3 309.409 3.525 20 30 DHEDHN N#CCc1ccc(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931911066 1024827024 /nfs/dbraw/zinc/82/70/24/1024827024.db2.gz KGXIZIUPFNAKDG-AWEZNQCLSA-N 0 3 312.310 3.619 20 30 DHEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000877129741 1033249578 /nfs/dbraw/zinc/24/95/78/1033249578.db2.gz OPLVVWOSPWPVAK-NSHDSACASA-N 0 3 313.854 3.599 20 30 DHEDHN Oc1ccccc1/C=N/C[C@@H](c1cccs1)N1CCCC1 ZINC000005293104 1025029416 /nfs/dbraw/zinc/02/94/16/1025029416.db2.gz PENYXQJXQRHDOT-BRFSQIRFSA-N 0 3 300.427 3.710 20 30 DHEDHN C[C@@H]1CC(C)(C)CC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120762151 1025054767 /nfs/dbraw/zinc/05/47/67/1025054767.db2.gz KPDVJPZWYWGAGV-CZUORRHYSA-N 0 3 324.428 3.913 20 30 DHEDHN CC[C@@](C)(NCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000793584129 1025116097 /nfs/dbraw/zinc/11/60/97/1025116097.db2.gz LMQDHKXELOOCJV-LJQANCHMSA-N 0 3 304.397 3.621 20 30 DHEDHN CCSc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccn1 ZINC000353597688 1025147119 /nfs/dbraw/zinc/14/71/19/1025147119.db2.gz QVGYRIJCGQCAFE-KRWDZBQOSA-N 0 3 309.438 3.842 20 30 DHEDHN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)cc(N2CCCC2)n1 ZINC000353627566 1025162985 /nfs/dbraw/zinc/16/29/85/1025162985.db2.gz LELRZMGIYVSDDU-INIZCTEOSA-N 0 3 320.440 3.713 20 30 DHEDHN C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC001168202052 1025266591 /nfs/dbraw/zinc/26/65/91/1025266591.db2.gz QEKKCBKKBSIYTB-ZIAGYGMSSA-N 0 3 311.347 3.915 20 30 DHEDHN C#CC[C@H]1CCCN(Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000829815148 1025282085 /nfs/dbraw/zinc/28/20/85/1025282085.db2.gz FXDYZTSFFRBUOY-ZDUSSCGKSA-N 0 3 309.331 3.667 20 30 DHEDHN N#CCCC[C@H](NCc1cccc2c1OCO2)c1ccccc1 ZINC000353916675 1025290906 /nfs/dbraw/zinc/29/09/06/1025290906.db2.gz REFYYHQHIQQJQR-KRWDZBQOSA-N 0 3 308.381 3.940 20 30 DHEDHN CCN(Cc1ccc(Cl)s1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885931185 1025410962 /nfs/dbraw/zinc/41/09/62/1025410962.db2.gz PWWJFVMHFUJRGV-LBPRGKRZSA-N 0 3 312.866 3.668 20 30 DHEDHN CC[C@H](C)N[C@H](CNc1nc(Cl)c(C#N)s1)c1ccco1 ZINC000804783606 1025480256 /nfs/dbraw/zinc/48/02/56/1025480256.db2.gz SYTQLWYTHSMXJR-VHSXEESVSA-N 0 3 324.837 3.802 20 30 DHEDHN CC[C@H]1CC(N[C@@H](C)CC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170475036 1025531714 /nfs/dbraw/zinc/53/17/14/1025531714.db2.gz MGCMQIQMRYXZLK-BPUTZDHNSA-N 0 3 323.481 3.835 20 30 DHEDHN CCOc1cccc(CNCc2ccc(SC)c(C#N)c2)c1 ZINC000886279429 1025579925 /nfs/dbraw/zinc/57/99/25/1025579925.db2.gz YSEHCNVDGZBUJD-UHFFFAOYSA-N 0 3 312.438 3.969 20 30 DHEDHN C#CC[C@H]1CCN(Cc2coc(-c3ccc(OCC)cc3)n2)C1 ZINC000886362626 1025602414 /nfs/dbraw/zinc/60/24/14/1025602414.db2.gz GWDYKIYEXYMDBN-HNNXBMFYSA-N 0 3 310.397 3.586 20 30 DHEDHN CC(C)(C#N)c1ccc(CN2CC(C)(C)OCC2(C)C)cc1 ZINC000614167602 1025792689 /nfs/dbraw/zinc/79/26/89/1025792689.db2.gz VWDRMCUUTYJYRP-UHFFFAOYSA-N 0 3 300.446 3.877 20 30 DHEDHN CSc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1C#N ZINC000886690509 1025794303 /nfs/dbraw/zinc/79/43/03/1025794303.db2.gz XEXZZFRLZFBIBD-HNNXBMFYSA-N 0 3 310.422 3.763 20 30 DHEDHN Cc1ccc(CN(CCO)Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614182460 1025822679 /nfs/dbraw/zinc/82/26/79/1025822679.db2.gz SGMMLPUHJYAJOB-UHFFFAOYSA-N 0 3 322.452 3.791 20 30 DHEDHN FC(F)(F)c1ccc(C#CCN2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886830544 1025951304 /nfs/dbraw/zinc/95/13/04/1025951304.db2.gz SYOBBPZKJMPFRV-DOTOQJQBSA-N 0 3 323.358 3.558 20 30 DHEDHN CCOCc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237006060 1026034028 /nfs/dbraw/zinc/03/40/28/1026034028.db2.gz MPDGWVOPKRQAMW-INIZCTEOSA-N 0 3 324.424 3.804 20 30 DHEDHN C=CCOc1ccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000356526668 1026076409 /nfs/dbraw/zinc/07/64/09/1026076409.db2.gz ONJMRTQAPFHFOF-MOPGFXCFSA-N 0 3 313.441 3.785 20 30 DHEDHN C=CCN(CCc1ccccc1)Cc1ccccc1NC(C)=O ZINC000092505708 1026112151 /nfs/dbraw/zinc/11/21/51/1026112151.db2.gz GVACGVWRAMBMDG-UHFFFAOYSA-N 0 3 308.425 3.876 20 30 DHEDHN CC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CC1(C)C ZINC000419319389 1026152032 /nfs/dbraw/zinc/15/20/32/1026152032.db2.gz ORCDWDRRUDBSFW-LSDHHAIUSA-N 0 3 310.401 3.523 20 30 DHEDHN COCCOCc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000289794154 1026176214 /nfs/dbraw/zinc/17/62/14/1026176214.db2.gz QVRRGXDUZAXUEU-MRXNPFEDSA-N 0 3 324.424 3.572 20 30 DHEDHN COc1ccc(CN(C)Cc2ccc(C#N)cc2C)cc1OC ZINC000614395989 1026290431 /nfs/dbraw/zinc/29/04/31/1026290431.db2.gz JHLSYJNXOZUQEG-UHFFFAOYSA-N 0 3 310.397 3.516 20 30 DHEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000419391702 1026349550 /nfs/dbraw/zinc/34/95/50/1026349550.db2.gz KCDXQGBJABBCHQ-OWCLPIDISA-N 0 3 323.440 3.714 20 30 DHEDHN C=CCN(CC[C@H](O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000808712697 1026359993 /nfs/dbraw/zinc/35/99/93/1026359993.db2.gz HKZXXFAFWLIXHX-FQEVSTJZSA-N 0 3 306.409 3.670 20 30 DHEDHN C=CCN(CC[C@H](O)c1ccccc1)Cc1ccc(OC)cc1 ZINC000808711931 1026362776 /nfs/dbraw/zinc/36/27/76/1026362776.db2.gz WTNXQOAKUIZJKO-FQEVSTJZSA-N 0 3 311.425 3.807 20 30 DHEDHN C#CCN(CCCCCn1cc(C)cn1)Cc1ccc(F)cc1 ZINC000729268207 1026404815 /nfs/dbraw/zinc/40/48/15/1026404815.db2.gz QSDIIECOAOJEIU-UHFFFAOYSA-N 0 3 313.420 3.636 20 30 DHEDHN C#Cc1ccc(CN[C@@H](CN(C)C)c2ccc(Cl)cc2)cc1 ZINC000809663861 1026589722 /nfs/dbraw/zinc/58/97/22/1026589722.db2.gz WBGDQUZHXQLDOF-IBGZPJMESA-N 0 3 312.844 3.714 20 30 DHEDHN C#C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000809683959 1026592979 /nfs/dbraw/zinc/59/29/79/1026592979.db2.gz SVQNGBPHRDGPPQ-MRXNPFEDSA-N 0 3 301.393 3.651 20 30 DHEDHN C#C[C@H](CC)NCc1ccc(OC(F)F)c(Br)c1 ZINC000809685623 1026594013 /nfs/dbraw/zinc/59/40/13/1026594013.db2.gz FZLISRWAWNEMFY-SNVBAGLBSA-N 0 3 318.161 3.552 20 30 DHEDHN C#CCCOc1ccc(CN2CCC[C@@H]2c2cccnc2)cc1 ZINC000809729698 1026595846 /nfs/dbraw/zinc/59/58/46/1026595846.db2.gz XEAJJVHPZCFWFC-HXUWFJFHSA-N 0 3 306.409 3.821 20 30 DHEDHN CC(C)(O)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810236307 1026725557 /nfs/dbraw/zinc/72/55/57/1026725557.db2.gz CBBVJZBUOBDHFC-LJQANCHMSA-N 0 3 306.409 3.563 20 30 DHEDHN CCCCCC[C@H](CC)N1CCC(C#N)(C(=O)OCC)CC1 ZINC001170602203 1026732622 /nfs/dbraw/zinc/73/26/22/1026732622.db2.gz XKKRJACSIHKNJG-INIZCTEOSA-N 0 3 308.466 3.904 20 30 DHEDHN CCCCCC[C@@H](CC)N1CCC(C#N)(C(=O)OCC)CC1 ZINC001170602204 1026732818 /nfs/dbraw/zinc/73/28/18/1026732818.db2.gz XKKRJACSIHKNJG-MRXNPFEDSA-N 0 3 308.466 3.904 20 30 DHEDHN N#CC1(CCN2CC[C@@H](c3nc(C4CC4)no3)C2)CCCCC1 ZINC000572003650 1027163877 /nfs/dbraw/zinc/16/38/77/1027163877.db2.gz MEPFCWSLTKMWOB-OAHLLOKOSA-N 0 3 314.433 3.600 20 30 DHEDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccccc1CS ZINC001170686055 1027384466 /nfs/dbraw/zinc/38/44/66/1027384466.db2.gz MEAWZJHRSYIOBM-ZDUSSCGKSA-N 0 3 309.438 3.989 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177268 1027397900 /nfs/dbraw/zinc/39/79/00/1027397900.db2.gz VDCGFOVEOZGFLF-CQSZACIVSA-N 0 3 309.369 3.934 20 30 DHEDHN C#C[C@@H](NC1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000812792716 1027411237 /nfs/dbraw/zinc/41/12/37/1027411237.db2.gz FXXMVZWCEJVDDX-HXUWFJFHSA-N 0 3 308.400 3.759 20 30 DHEDHN CC(C)CN(Cc1ccc(OCC#N)cc1)Cc1ccccn1 ZINC000932444881 1027498863 /nfs/dbraw/zinc/49/88/63/1027498863.db2.gz OJLAOFJDNLZPNB-UHFFFAOYSA-N 0 3 309.413 3.642 20 30 DHEDHN C#CCC1(N[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)CCC1 ZINC000933302836 1027713743 /nfs/dbraw/zinc/71/37/43/1027713743.db2.gz JAAGPLGGOJFFDX-INIZCTEOSA-N 0 3 312.457 3.981 20 30 DHEDHN C=CC[C@@H](N[C@@H](C)c1ccc(C(=O)N(C)C)cc1)c1ccncc1 ZINC000813856900 1027732975 /nfs/dbraw/zinc/73/29/75/1027732975.db2.gz DLQUIMPESTYLAF-HNAYVOBHSA-N 0 3 323.440 3.751 20 30 DHEDHN N#Cc1ccc(C2CCN(C[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000933614768 1027776553 /nfs/dbraw/zinc/77/65/53/1027776553.db2.gz SZEIFJWNBQIEGD-OAHLLOKOSA-N 0 3 309.240 3.931 20 30 DHEDHN C[C@H](c1ccc2c(c1)CCC2)N1CCC2(CC1)CC(=O)C=CO2 ZINC000933646030 1027784026 /nfs/dbraw/zinc/78/40/26/1027784026.db2.gz BOVLBYKSZDCSRP-OAHLLOKOSA-N 0 3 311.425 3.574 20 30 DHEDHN COc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000365234643 1027906451 /nfs/dbraw/zinc/90/64/51/1027906451.db2.gz OVXJSEVUWUCFRA-MRXNPFEDSA-N 0 3 310.372 3.695 20 30 DHEDHN Cc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563216981 1027939882 /nfs/dbraw/zinc/93/98/82/1027939882.db2.gz PFIZCVBMJFHTQN-INIZCTEOSA-N 0 3 321.380 3.764 20 30 DHEDHN N#C[C@H]1CC[C@@H](N2CCC(C(=O)c3ccccc3Cl)CC2)C1 ZINC000934418836 1027998020 /nfs/dbraw/zinc/99/80/20/1027998020.db2.gz PSQTZSYOWQYBFO-DZGCQCFKSA-N 0 3 316.832 3.927 20 30 DHEDHN C#CCN(C(=O)CC(C)(C)C1CCCCC1)C1CCN(C)CC1 ZINC001134265587 1028009304 /nfs/dbraw/zinc/00/93/04/1028009304.db2.gz HYOLVOXZOGEAOM-UHFFFAOYSA-N 0 3 318.505 3.539 20 30 DHEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccccc2C2CC2)C1=O ZINC001276005276 1028029875 /nfs/dbraw/zinc/02/98/75/1028029875.db2.gz PWGOOYFGHUROJD-OAQYLSRUSA-N 0 3 324.468 3.707 20 30 DHEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000368131564 1028306919 /nfs/dbraw/zinc/30/69/19/1028306919.db2.gz ASDGYJWVNRJHNH-FZKQIMNGSA-N 0 3 324.428 3.655 20 30 DHEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000368131566 1028312433 /nfs/dbraw/zinc/31/24/33/1028312433.db2.gz ASDGYJWVNRJHNH-UGSOOPFHSA-N 0 3 324.428 3.655 20 30 DHEDHN CC(C)(C)c1csc(C2CCN(CCOCCC#N)CC2)n1 ZINC000815032790 1028337941 /nfs/dbraw/zinc/33/79/41/1028337941.db2.gz YNOBEPQLPIZIJT-UHFFFAOYSA-N 0 3 321.490 3.550 20 30 DHEDHN Cc1nc(C)c([C@@H](C)NCc2ccc(OCC#N)cc2)s1 ZINC000040445804 1028543396 /nfs/dbraw/zinc/54/33/96/1028543396.db2.gz SZKIBFAUBZWHRC-LLVKDONJSA-N 0 3 301.415 3.513 20 30 DHEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)cc1 ZINC000815909922 1028647264 /nfs/dbraw/zinc/64/72/64/1028647264.db2.gz LBGSKBJLHKTRCG-BBRMVZONSA-N 0 3 323.396 3.541 20 30 DHEDHN COc1cncc(/C=C/CCN(CCC#N)CC(C)(C)C)c1 ZINC000566156203 1028682916 /nfs/dbraw/zinc/68/29/16/1028682916.db2.gz RNPJYLUAEYFITE-VMPITWQZSA-N 0 3 301.434 3.755 20 30 DHEDHN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccc(F)c1 ZINC000076842964 1028740647 /nfs/dbraw/zinc/74/06/47/1028740647.db2.gz WJVNMTXIXCTFKX-BXUZGUMPSA-N 0 3 308.312 3.947 20 30 DHEDHN C[C@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccc(F)c1 ZINC000076842967 1028741314 /nfs/dbraw/zinc/74/13/14/1028741314.db2.gz WJVNMTXIXCTFKX-FZMZJTMJSA-N 0 3 308.312 3.947 20 30 DHEDHN Cc1cc(C(C#N)C(=O)c2csc3c2CCCC3)nc(C)n1 ZINC000041574674 1028758214 /nfs/dbraw/zinc/75/82/14/1028758214.db2.gz MWMSHHFBMRLZBN-ZDUSSCGKSA-N 0 3 311.410 3.524 20 30 DHEDHN N#Cc1ccc(-c2cnc(CN3CCC[C@@H]4CCC[C@@H]43)o2)cc1 ZINC000371786410 1028759781 /nfs/dbraw/zinc/75/97/81/1028759781.db2.gz IKZMCXAUJICPLY-RDJZCZTQSA-N 0 3 307.397 3.978 20 30 DHEDHN C=CCC[C@@H](CO)NCc1cc(C(F)(F)F)ccc1Cl ZINC000449701441 1028921417 /nfs/dbraw/zinc/92/14/17/1028921417.db2.gz WIDLIQFSMGZXAJ-LBPRGKRZSA-N 0 3 307.743 3.776 20 30 DHEDHN CC[C@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(C#N)cc1 ZINC000373058850 1028941489 /nfs/dbraw/zinc/94/14/89/1028941489.db2.gz SOQSIXCIGHIVSI-PMACEKPBSA-N 0 3 305.425 3.786 20 30 DHEDHN N#Cc1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000449766794 1028982322 /nfs/dbraw/zinc/98/23/22/1028982322.db2.gz OQRFPSVFUVORMH-QGZVFWFLSA-N 0 3 312.438 3.613 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@H](O)C23CCCC3)cc1Cl ZINC000568132833 1029010694 /nfs/dbraw/zinc/01/06/94/1029010694.db2.gz YVLDJGPZDKWFFI-KRWDZBQOSA-N 0 3 321.848 3.784 20 30 DHEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000007018738 1029032060 /nfs/dbraw/zinc/03/20/60/1029032060.db2.gz ZSPJXYISTHOXMH-FOIQADDNSA-N 0 3 323.440 3.545 20 30 DHEDHN CCc1ccc([C@H](CO)NCCC2(C#N)CCCCC2)cc1 ZINC000411505461 1029142501 /nfs/dbraw/zinc/14/25/01/1029142501.db2.gz GHJWJPPLFFPFRS-SFHVURJKSA-N 0 3 300.446 3.736 20 30 DHEDHN C[C@@H]1C[C@@]2(CCO1)CN(CCC1(C#N)CCCCC1)C[C@H](C)O2 ZINC000411679883 1029183200 /nfs/dbraw/zinc/18/32/00/1029183200.db2.gz MZXQZAMFASNZFS-AOIWGVFYSA-N 0 3 320.477 3.509 20 30 DHEDHN C=C(C)CCN[C@@H](c1nc(Br)cs1)C1CC1 ZINC000817584851 1029215715 /nfs/dbraw/zinc/21/57/15/1029215715.db2.gz HUEZOZGOXOXKQL-LLVKDONJSA-N 0 3 301.253 3.913 20 30 DHEDHN CC(C)CN(CCC1(C#N)CCCCC1)Cc1cnn(C)c1 ZINC000411827148 1029217187 /nfs/dbraw/zinc/21/71/87/1029217187.db2.gz ZSEWAZSNRWJAIV-UHFFFAOYSA-N 0 3 302.466 3.742 20 30 DHEDHN COCCN(Cc1ccc(C#N)cc1)Cc1ccc2cc[nH]c2c1 ZINC000529524405 1029372378 /nfs/dbraw/zinc/37/23/78/1029372378.db2.gz URTHSXVXPZTTNJ-UHFFFAOYSA-N 0 3 319.408 3.688 20 30 DHEDHN C=CCCCN(C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000121076564 1029493142 /nfs/dbraw/zinc/49/31/42/1029493142.db2.gz IALQEKXKALHTGY-HUUCEWRRSA-N 0 3 306.475 3.698 20 30 DHEDHN C[C@H](NN=C1CCCC[C@@H]1N1CCCCC1)c1ccncc1 ZINC000819817087 1029614044 /nfs/dbraw/zinc/61/40/44/1029614044.db2.gz VILDMKOGJSVVRA-YJBOKZPZSA-N 0 3 300.450 3.517 20 30 DHEDHN CCCN(CC1(C#N)CCC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000450931095 1029735086 /nfs/dbraw/zinc/73/50/86/1029735086.db2.gz YNNGDBSJAMGSGY-MRXNPFEDSA-N 0 3 313.445 3.810 20 30 DHEDHN C=CCOCCCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451016905 1029767486 /nfs/dbraw/zinc/76/74/86/1029767486.db2.gz JAZNYDXUVJVRJL-MRXNPFEDSA-N 0 3 319.836 3.946 20 30 DHEDHN C#C[C@@H](N[C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC000822485212 1030040874 /nfs/dbraw/zinc/04/08/74/1030040874.db2.gz IHLUQNOQHQXFKZ-PSOLEGPJSA-N 0 3 303.833 3.808 20 30 DHEDHN CC[C@@H]1CC[C@H](C)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000451959177 1030067781 /nfs/dbraw/zinc/06/77/81/1030067781.db2.gz XRZLJSRGHGERTO-UONOGXRCSA-N 0 3 310.401 3.619 20 30 DHEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC(C)(C)C ZINC000533279049 1030238013 /nfs/dbraw/zinc/23/80/13/1030238013.db2.gz WDSKMYICAIGBGL-LLVKDONJSA-N 0 3 307.825 3.517 20 30 DHEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)c1ccc(F)cc1F ZINC000823616837 1030344081 /nfs/dbraw/zinc/34/40/81/1030344081.db2.gz CDMHICNHLOEUJP-XIKOKIGWSA-N 0 3 316.351 3.563 20 30 DHEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)C2(Cl)CC2)ccc1OC ZINC000925396477 1030356797 /nfs/dbraw/zinc/35/67/97/1030356797.db2.gz KWFYZSXHISCSOD-JSGCOSHPSA-N 0 3 322.836 3.626 20 30 DHEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000121765280 1030475222 /nfs/dbraw/zinc/47/52/22/1030475222.db2.gz NMCZGTUVQGBSAS-WMLDXEAASA-N 0 3 314.429 3.537 20 30 DHEDHN CCc1cnc(CCN[C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000358593598 1030550717 /nfs/dbraw/zinc/55/07/17/1030550717.db2.gz RRWVYPGRPWCTDM-NSHDSACASA-N 0 3 303.406 3.610 20 30 DHEDHN CC1(C)CC(N=Nc2cccc(F)n2)CN1Cc1ccccc1 ZINC000795010203 1030568694 /nfs/dbraw/zinc/56/86/94/1030568694.db2.gz XGXNUMZIEYFEQJ-UHFFFAOYSA-N 0 3 312.392 3.673 20 30 DHEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OCC(F)F)cc1 ZINC001136940617 1030646941 /nfs/dbraw/zinc/64/69/41/1030646941.db2.gz GDAQVRMHZDBZBZ-QKDCVEJESA-N 0 3 306.356 3.597 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(C(C)(C)O)cc2)cc1 ZINC000926530187 1030783121 /nfs/dbraw/zinc/78/31/21/1030783121.db2.gz KYASFYXZCTUQGB-INIZCTEOSA-N 0 3 323.436 3.777 20 30 DHEDHN N#CCCCOc1cccc(CN[C@H](CCO)c2ccccc2)c1 ZINC000077468341 1030858272 /nfs/dbraw/zinc/85/82/72/1030858272.db2.gz MAADBQICEBIHGZ-HXUWFJFHSA-N 0 3 324.424 3.582 20 30 DHEDHN Cc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1C#N ZINC000926962408 1031019931 /nfs/dbraw/zinc/01/99/31/1031019931.db2.gz LVMCPZKWVAVIEA-QGZVFWFLSA-N 0 3 307.353 3.552 20 30 DHEDHN C=CCC1(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CCC1 ZINC000359546565 1031021889 /nfs/dbraw/zinc/02/18/89/1031021889.db2.gz QJTKOCBALFGTOY-LSDHHAIUSA-N 0 3 304.434 3.571 20 30 DHEDHN CCCOc1cccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844370527 1031072867 /nfs/dbraw/zinc/07/28/67/1031072867.db2.gz IEWMNGAETJYRLN-HXUWFJFHSA-N 0 3 324.424 3.512 20 30 DHEDHN Cc1nc(NC[C@H](C)N2CCCC[C@H]2C)c(Cl)cc1C#N ZINC000359907686 1031190380 /nfs/dbraw/zinc/19/03/80/1031190380.db2.gz XAKSAYOYKDJGTQ-NEPJUHHUSA-N 0 3 306.841 3.590 20 30 DHEDHN C[C@H]1OC2(CCN(Cc3cncc(C#N)c3)CC2)c2ccccc21 ZINC001144086588 1031223125 /nfs/dbraw/zinc/22/31/25/1031223125.db2.gz VHPBWIGFQYDQNM-OAHLLOKOSA-N 0 3 319.408 3.536 20 30 DHEDHN C(#CC1CCN(Cc2ccc3cc[nH]c3n2)CC1)c1ccccc1 ZINC001144187718 1031320422 /nfs/dbraw/zinc/32/04/22/1031320422.db2.gz LMFCCBWHMDVMMC-UHFFFAOYSA-N 0 3 315.420 3.827 20 30 DHEDHN CCN(Cc1ccc(C#N)s1)[C@H](COC)Cc1ccccc1 ZINC000536709172 1031411812 /nfs/dbraw/zinc/41/18/12/1031411812.db2.gz JPZQFTYQZDZMBQ-INIZCTEOSA-N 0 3 314.454 3.699 20 30 DHEDHN C=CCN(CCCCCNC(C)=O)Cc1ccc(Cl)s1 ZINC000929131632 1031440907 /nfs/dbraw/zinc/44/09/07/1031440907.db2.gz ZCXKYOYCYGZBDA-UHFFFAOYSA-N 0 3 314.882 3.696 20 30 DHEDHN N#CC1CCC(CN2CCc3c(cnn3-c3ccccc3)C2)CC1 ZINC000929264932 1031480848 /nfs/dbraw/zinc/48/08/48/1031480848.db2.gz KOLZCCSRIRFXDR-UHFFFAOYSA-N 0 3 320.440 3.560 20 30 DHEDHN CN(CCCCC1(C#N)CCC1)CC(=O)N(C)C1CCCCC1 ZINC000929279550 1031484639 /nfs/dbraw/zinc/48/46/39/1031484639.db2.gz GSBVGNQCVRFCSA-UHFFFAOYSA-N 0 3 319.493 3.573 20 30 DHEDHN C=CCN(CCOC1CCSCC1)Cc1ccc(OC)cc1 ZINC000929316125 1031491383 /nfs/dbraw/zinc/49/13/83/1031491383.db2.gz FIBHQUUOVOKGGL-UHFFFAOYSA-N 0 3 321.486 3.595 20 30 DHEDHN C=C(C)CN(CC)C(=O)CN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000537222244 1031545337 /nfs/dbraw/zinc/54/53/37/1031545337.db2.gz ZLSOJUXFHYAOTP-IBGZPJMESA-N 0 3 318.436 3.599 20 30 DHEDHN C[C@H](N)c1nc2ccccc2n1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171179359 1031576044 /nfs/dbraw/zinc/57/60/44/1031576044.db2.gz RPQHTCAQPXLENC-KBPBESRZSA-N 0 3 304.397 3.731 20 30 DHEDHN Cc1cc(CC#N)ccc1NC(=N)c1ccc2cc(O)ccc2c1 ZINC001171181839 1031578230 /nfs/dbraw/zinc/57/82/30/1031578230.db2.gz DHGOXOOQZZXWCV-UHFFFAOYSA-N 0 3 315.376 3.957 20 30 DHEDHN COc1ccc(CN2CCC(c3ccc(C#N)cc3)CC2)cc1O ZINC000897588909 1031662368 /nfs/dbraw/zinc/66/23/68/1031662368.db2.gz BFMWPMIBGMQEFS-UHFFFAOYSA-N 0 3 322.408 3.652 20 30 DHEDHN N#Cc1ccc(C2CCN(Cc3cnn4ccccc34)CC2)cc1 ZINC000897588914 1031663388 /nfs/dbraw/zinc/66/33/88/1031663388.db2.gz BHICWMCRVZQESJ-UHFFFAOYSA-N 0 3 316.408 3.586 20 30 DHEDHN CC(C)N(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000361054986 1031699263 /nfs/dbraw/zinc/69/92/63/1031699263.db2.gz VCUYZPLZBFJAQE-CQSZACIVSA-N 0 3 312.335 3.576 20 30 DHEDHN Cc1cc(C#N)cc(C)c1CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000930187345 1031729127 /nfs/dbraw/zinc/72/91/27/1031729127.db2.gz FSUIYOMYIFAHBW-CQSZACIVSA-N 0 3 308.381 3.755 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N[C@@H](c1ncccc1F)C1CC1 ZINC001171201586 1031759280 /nfs/dbraw/zinc/75/92/80/1031759280.db2.gz NOKCSXAFWZEVGM-SCLBCKFNSA-N 0 3 309.388 3.764 20 30 DHEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1cnn(Cc2ccccc2)c1 ZINC000361436445 1031924946 /nfs/dbraw/zinc/92/49/46/1031924946.db2.gz WHKZRUWRZYILML-VDZJLULYSA-N 0 3 308.429 3.664 20 30 DHEDHN C[C@H](Cc1cccc(C#N)c1)N(C)Cc1nc2ccccc2o1 ZINC001171223836 1031976019 /nfs/dbraw/zinc/97/60/19/1031976019.db2.gz NXYHZNIHVTWLQE-CQSZACIVSA-N 0 3 305.381 3.762 20 30 DHEDHN C[C@@H](Cc1cccc(C#N)c1)N(C)Cc1cccc(F)c1F ZINC001171228789 1031990224 /nfs/dbraw/zinc/99/02/24/1031990224.db2.gz IXRNTJZTWVXNTC-ZDUSSCGKSA-N 0 3 300.352 3.899 20 30 DHEDHN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000931062707 1032021968 /nfs/dbraw/zinc/02/19/68/1032021968.db2.gz SOQRTHHSPYEQNA-YOEHRIQHSA-N 0 3 315.461 3.753 20 30 DHEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1-c1ccsc1 ZINC000877454597 1033306204 /nfs/dbraw/zinc/30/62/04/1033306204.db2.gz BHYYXARAXPEZCS-MRXNPFEDSA-N 0 3 313.426 3.683 20 30 DHEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CSc3ccccc32)c1 ZINC000877558112 1033358182 /nfs/dbraw/zinc/35/81/82/1033358182.db2.gz XAVSDMQTRYIBOM-CYBMUJFWSA-N 0 3 315.829 3.586 20 30 DHEDHN C[C@@]1(CCNCc2cc(C#N)cnc2Cl)CC1(Cl)Cl ZINC000877569522 1033361938 /nfs/dbraw/zinc/36/19/38/1033361938.db2.gz SRCSPMXLRDJMIE-GFCCVEGCSA-N 0 3 318.635 3.670 20 30 DHEDHN CC(C)(CNCc1cc(C#N)cnc1Cl)CC(F)(F)F ZINC000877644505 1033394440 /nfs/dbraw/zinc/39/44/40/1033394440.db2.gz WEVSVZNDGNUNEZ-UHFFFAOYSA-N 0 3 305.731 3.675 20 30 DHEDHN C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1[O-] ZINC000877755864 1033430875 /nfs/dbraw/zinc/43/08/75/1033430875.db2.gz PKFZJPCXXKXGDN-OAHLLOKOSA-N 0 3 321.424 3.583 20 30 DHEDHN C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1[O-] ZINC000877757382 1033436175 /nfs/dbraw/zinc/43/61/75/1033436175.db2.gz VSGKNNUELSSDOS-HNNXBMFYSA-N 0 3 310.397 3.926 20 30 DHEDHN COc1ccccc1[C@H]1CCCN(Cc2cccc(C#N)n2)CC1 ZINC000877769718 1033442074 /nfs/dbraw/zinc/44/20/74/1033442074.db2.gz MGIJGVCJMDOLKZ-INIZCTEOSA-N 0 3 321.424 3.732 20 30 DHEDHN N#Cc1ccc(C2=CCN(C[C@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000878334195 1033660015 /nfs/dbraw/zinc/66/00/15/1033660015.db2.gz QTAQECQAIMWIMG-LJQANCHMSA-N 0 3 308.425 3.749 20 30 DHEDHN C=CCOC1CCC(N2C[C@H](C)OC[C@@H]2c2ccccc2)CC1 ZINC001173325842 1033685152 /nfs/dbraw/zinc/68/51/52/1033685152.db2.gz RHBUDFNHNRHWEN-CMTQZCSUSA-N 0 3 315.457 3.962 20 30 DHEDHN N#CCC1CCC(N[C@@H]2CCOc3cc(F)cc(F)c32)CC1 ZINC001173328791 1033689368 /nfs/dbraw/zinc/68/93/68/1033689368.db2.gz NYSSFMFDHUAFKD-ABIUDSBCSA-N 0 3 306.356 3.850 20 30 DHEDHN N#CCC1(CN[C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 ZINC000878623632 1033774052 /nfs/dbraw/zinc/77/40/52/1033774052.db2.gz SLBMTEWIQKRNHI-RBUKOAKNSA-N 0 3 306.409 3.745 20 30 DHEDHN COC1(CN[C@H](C)c2ccc(C#N)cc2F)CCC(C)CC1 ZINC000479469168 1033775884 /nfs/dbraw/zinc/77/58/84/1033775884.db2.gz GBEZRXSMVFHIHY-TXKKKEFDSA-N 0 3 304.409 3.943 20 30 DHEDHN CCC(=NNCCCOCc1ccccc1)c1cccc(N)c1 ZINC000863177993 1034013626 /nfs/dbraw/zinc/01/36/26/1034013626.db2.gz XBSGTXSQVLRXIM-UHFFFAOYSA-N 0 3 311.429 3.579 20 30 DHEDHN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccccc1)c1ccccc1 ZINC000119596783 1034176785 /nfs/dbraw/zinc/17/67/85/1034176785.db2.gz GEGBLMPRXOHKKM-QGZVFWFLSA-N 0 3 320.392 3.702 20 30 DHEDHN CC(=O)Nc1ccc2c(c1)CN(CCCCC(C)(C)C#N)CC2 ZINC000880034443 1034191796 /nfs/dbraw/zinc/19/17/96/1034191796.db2.gz WBVRMMAXJMLPBZ-UHFFFAOYSA-N 0 3 313.445 3.723 20 30 DHEDHN C=CCN(CCc1ccccc1C(=O)OC)Cc1cccs1 ZINC000480523731 1034283492 /nfs/dbraw/zinc/28/34/92/1034283492.db2.gz GYGVNGZPIUBSLX-UHFFFAOYSA-N 0 3 315.438 3.765 20 30 DHEDHN CC(C)[C@@H](NCc1cccc(C#N)c1F)[C@@H](O)c1ccccc1 ZINC000794614590 1034314767 /nfs/dbraw/zinc/31/47/67/1034314767.db2.gz RWTHPLQQVBVYSO-MOPGFXCFSA-N 0 3 312.388 3.545 20 30 DHEDHN CC(C)[C@H](NCc1cccc(C#N)c1F)[C@@H](O)c1ccccc1 ZINC000794614592 1034316187 /nfs/dbraw/zinc/31/61/87/1034316187.db2.gz RWTHPLQQVBVYSO-OALUTQOASA-N 0 3 312.388 3.545 20 30 DHEDHN N#Cc1cc(F)cc(NC2=CCCN(Cc3ccccc3)C2)c1 ZINC001174396552 1034323940 /nfs/dbraw/zinc/32/39/40/1034323940.db2.gz GSKQYSQYJRGDKW-UHFFFAOYSA-N 0 3 307.372 3.899 20 30 DHEDHN CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(C)cc1[O-] ZINC000794814097 1034521189 /nfs/dbraw/zinc/52/11/89/1034521189.db2.gz GYUGDEBQIJKNCR-KRWDZBQOSA-N 0 3 310.397 3.822 20 30 DHEDHN C=CCN1CCC(NC(=O)CCc2cccc3ccccc32)CC1 ZINC000865192809 1034548603 /nfs/dbraw/zinc/54/86/03/1034548603.db2.gz FEKXIJJSVVQJJV-UHFFFAOYSA-N 0 3 322.452 3.539 20 30 DHEDHN C=CCOCCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000555380804 1034667347 /nfs/dbraw/zinc/66/73/47/1034667347.db2.gz KWWLJKQHEVHQQM-ZDUSSCGKSA-N 0 3 316.228 3.649 20 30 DHEDHN CCc1cnccc1[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000773430556 1034692068 /nfs/dbraw/zinc/69/20/68/1034692068.db2.gz ZVGKYXJBSWBSQQ-HUUCEWRRSA-N 0 3 309.413 3.786 20 30 DHEDHN C=C(C)CN1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC001174975762 1034692393 /nfs/dbraw/zinc/69/23/93/1034692393.db2.gz MYBHADCHQJGHKU-UHFFFAOYSA-N 0 3 313.420 3.972 20 30 DHEDHN C=CC[C@@H](C)Sc1nnc(CCN2CCCCC2)n1CC=C ZINC000882082318 1034740269 /nfs/dbraw/zinc/74/02/69/1034740269.db2.gz MAGIZOCOYVXPPN-OAHLLOKOSA-N 0 3 320.506 3.549 20 30 DHEDHN CSc1ccc(CNCc2ccc(OCC#N)cc2)s1 ZINC000810144266 1035035739 /nfs/dbraw/zinc/03/57/39/1035035739.db2.gz VEJDMAYDOYHALM-UHFFFAOYSA-N 0 3 304.440 3.662 20 30 DHEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC)cc1 ZINC000128633617 1035076746 /nfs/dbraw/zinc/07/67/46/1035076746.db2.gz SRUYNCXYQJRBTB-BBRMVZONSA-N 0 3 300.402 3.723 20 30 DHEDHN CCN1CCN(c2ccc(Nc3cc(C#N)ccc3F)cc2)CC1 ZINC001175781690 1035119065 /nfs/dbraw/zinc/11/90/65/1035119065.db2.gz YKUPDFCNKVNQIW-UHFFFAOYSA-N 0 3 324.403 3.583 20 30 DHEDHN Cc1ccccc1NC(=O)C(C#N)c1nc2ccccc2s1 ZINC000160085516 1035133593 /nfs/dbraw/zinc/13/35/93/1035133593.db2.gz MMZHTRDRJMPXLK-LBPRGKRZSA-N 0 3 307.378 3.851 20 30 DHEDHN CC[C@H](C)CN(CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000482844667 1035187727 /nfs/dbraw/zinc/18/77/27/1035187727.db2.gz PKDKALDIUPMMKN-LBPRGKRZSA-N 0 3 307.825 3.518 20 30 DHEDHN C#CCN(C[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176452369 1035271236 /nfs/dbraw/zinc/27/12/36/1035271236.db2.gz KDVNRQAOVZLFMF-CEWLAPEOSA-N 0 3 309.453 3.957 20 30 DHEDHN C(#Cc1ccccc1)CN1CC[C@@H](COCc2ccccc2)C1 ZINC000483935411 1035308974 /nfs/dbraw/zinc/30/89/74/1035308974.db2.gz UIDZANMCNKSEGM-OAQYLSRUSA-N 0 3 305.421 3.577 20 30 DHEDHN C#C[C@@H]1CCCCN1Cc1ccc(OCc2ccncc2)cc1 ZINC001176833227 1035332553 /nfs/dbraw/zinc/33/25/53/1035332553.db2.gz TVVGMOOPTWIUON-LJQANCHMSA-N 0 3 306.409 3.648 20 30 DHEDHN CCc1ccc2c(c1)CN(CCCOc1cccc(C#N)c1)CC2 ZINC001177033488 1035344573 /nfs/dbraw/zinc/34/45/73/1035344573.db2.gz GAXZIVHDSMMOKA-UHFFFAOYSA-N 0 3 320.436 3.948 20 30 DHEDHN C=CCCn1cc(CNC[C@@H]2CCCC[C@H]2C(C)(C)C)nn1 ZINC001177580223 1035381947 /nfs/dbraw/zinc/38/19/47/1035381947.db2.gz BIMWWKDOIRWROR-DOTOQJQBSA-N 0 3 304.482 3.796 20 30 DHEDHN N#Cc1cc(CNC[C@H](O)c2cc3ccccc3s2)cs1 ZINC001178041676 1035407687 /nfs/dbraw/zinc/40/76/87/1035407687.db2.gz AOSHTFQSQLLBMD-AWEZNQCLSA-N 0 3 314.435 3.658 20 30 DHEDHN CS[C@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000773772915 1035451644 /nfs/dbraw/zinc/45/16/44/1035451644.db2.gz XSILKSBFZQLWPT-MNOVXSKESA-N 0 3 324.833 3.519 20 30 DHEDHN C=CCCOc1ccccc1-c1ccc(F)c(CNCCO)c1 ZINC000904804890 1035459128 /nfs/dbraw/zinc/45/91/28/1035459128.db2.gz HHQFZDONYRPCIN-UHFFFAOYSA-N 0 3 315.388 3.530 20 30 DHEDHN CC(C)Oc1cc(Cl)ccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000905426986 1035527717 /nfs/dbraw/zinc/52/77/17/1035527717.db2.gz WHNZUOSAMRIKEN-HNNXBMFYSA-N 0 3 324.852 3.518 20 30 DHEDHN C#C[C@H](N[C@H](C)c1ccc2cc(OC)ccc2c1)[C@@H]1CCCO1 ZINC000775575340 1035562506 /nfs/dbraw/zinc/56/25/06/1035562506.db2.gz VXMXPWCKAMSCDA-UAOJZALGSA-N 0 3 309.409 3.680 20 30 DHEDHN CC(C)C[C@H](C)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001193987150 1035790078 /nfs/dbraw/zinc/79/00/78/1035790078.db2.gz AUHWWUMVVAJANG-YJBOKZPZSA-N 0 3 319.880 3.957 20 30 DHEDHN CCCC[C@H](COC)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000540186440 1036006371 /nfs/dbraw/zinc/00/63/71/1036006371.db2.gz CAJMMVDYHGWTCY-MRXNPFEDSA-N 0 3 313.363 3.852 20 30 DHEDHN CC1(C)CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075768044 1036028593 /nfs/dbraw/zinc/02/85/93/1036028593.db2.gz UGGKNJUEYHCVQJ-UHFFFAOYSA-N 0 3 310.401 3.620 20 30 DHEDHN C=CCCC[C@@H](C)N1CCN(c2ncnc3ccsc32)CC1 ZINC000540298145 1036030846 /nfs/dbraw/zinc/03/08/46/1036030846.db2.gz VYWUMBMEZYUTGJ-CQSZACIVSA-N 0 3 316.474 3.558 20 30 DHEDHN C=C(C)COc1cccc(NC(=O)c2ccccc2CN(C)C)c1 ZINC000486079049 1036112625 /nfs/dbraw/zinc/11/26/25/1036112625.db2.gz LKWYFANXHVKQFY-UHFFFAOYSA-N 0 3 324.424 3.955 20 30 DHEDHN C#CCCCCCCCCC(=O)Nc1cnccc1N(C)C ZINC001182185609 1036118781 /nfs/dbraw/zinc/11/87/81/1036118781.db2.gz JUVHYRPLSWPJRZ-UHFFFAOYSA-N 0 3 301.434 3.840 20 30 DHEDHN C=CCCCNC(=O)[C@@H](c1ccccc1)N(CC)CCCC ZINC001182237759 1036154172 /nfs/dbraw/zinc/15/41/72/1036154172.db2.gz RUEUAYXDUKDMQD-GOSISDBHSA-N 0 3 302.462 3.932 20 30 DHEDHN C=CC[C@H](CO)CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000495060468 1036215682 /nfs/dbraw/zinc/21/56/82/1036215682.db2.gz AJULAIREJCRIKH-AWEZNQCLSA-N 0 3 317.379 3.828 20 30 DHEDHN CC[C@H](N[C@H]1CCCc2nc(C)ncc21)c1ccc(C#N)cc1 ZINC000774199812 1036220905 /nfs/dbraw/zinc/22/09/05/1036220905.db2.gz BFWTVCHCUFXXMY-HKUYNNGSSA-N 0 3 306.413 3.775 20 30 DHEDHN CC(C)C[C@H](NCCOc1ccc(C#N)cc1)c1ccccn1 ZINC000090107273 1036251384 /nfs/dbraw/zinc/25/13/84/1036251384.db2.gz YSUDPLFGKIAGCG-IBGZPJMESA-N 0 3 309.413 3.709 20 30 DHEDHN COc1ccc(CN(Cc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000541282407 1036286660 /nfs/dbraw/zinc/28/66/60/1036286660.db2.gz LPEYKTJKOJGAML-UHFFFAOYSA-N 0 3 306.409 3.926 20 30 DHEDHN CC(C)(C)OC(=O)C[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC001195799974 1036352377 /nfs/dbraw/zinc/35/23/77/1036352377.db2.gz YFPRGCGRLPKEDL-KRWDZBQOSA-N 0 3 314.429 3.645 20 30 DHEDHN CSC[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000486797126 1036410663 /nfs/dbraw/zinc/41/06/63/1036410663.db2.gz DEZPXTSCRXJUFO-OAHLLOKOSA-N 0 3 313.388 3.884 20 30 DHEDHN CC(C)Oc1ccccc1CNCCOc1ccc(C#N)cc1 ZINC000174557789 1036528029 /nfs/dbraw/zinc/52/80/29/1036528029.db2.gz YRDFTECXMJVXCC-UHFFFAOYSA-N 0 3 310.397 3.514 20 30 DHEDHN C[C@@H]1CC2(CCC2)CN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000762142298 1036555298 /nfs/dbraw/zinc/55/52/98/1036555298.db2.gz NCYQZGKXPVKKKW-OAHLLOKOSA-N 0 3 306.413 3.644 20 30 DHEDHN CCCCCCCC[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001273739094 1036708588 /nfs/dbraw/zinc/70/85/88/1036708588.db2.gz XHWAJOYUIDNZSI-VSZNYVQBSA-N 0 3 306.494 3.536 20 30 DHEDHN CC#CCCNCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC001205136841 1036745637 /nfs/dbraw/zinc/74/56/37/1036745637.db2.gz KMDIOEOYBYODLS-UHFFFAOYSA-N 0 3 311.381 3.626 20 30 DHEDHN COCC1(N(C)CC#Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001197582400 1036814432 /nfs/dbraw/zinc/81/44/32/1036814432.db2.gz PRCGHTFLLCNLFW-UHFFFAOYSA-N 0 3 311.347 3.558 20 30 DHEDHN C[C@H](COCC1CCCCC1)NCc1ccc(C#N)c(F)c1 ZINC001198001264 1036923059 /nfs/dbraw/zinc/92/30/59/1036923059.db2.gz PIRXGOUJOGSEBA-CQSZACIVSA-N 0 3 304.409 3.772 20 30 DHEDHN Cc1cc(CN2CC[C@@H](n3ncc4ccccc43)C2)ccc1C#N ZINC000488306464 1036963754 /nfs/dbraw/zinc/96/37/54/1036963754.db2.gz HGXCZJUBIBCOBB-LJQANCHMSA-N 0 3 316.408 3.663 20 30 DHEDHN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CCc1ccc(C#N)cc1 ZINC001198174743 1036966150 /nfs/dbraw/zinc/96/61/50/1036966150.db2.gz WVSBCEFDZQVNFT-WWMYMODYSA-N 0 3 320.436 3.951 20 30 DHEDHN CCOc1cc(CNCc2ccc(C#N)c(C)c2)ccc1OC ZINC000443988655 1036974797 /nfs/dbraw/zinc/97/47/97/1036974797.db2.gz MNXGXBBQTBAEGM-UHFFFAOYSA-N 0 3 310.397 3.564 20 30 DHEDHN C[C@H]1CN(Cc2cc(C#N)ccc2Br)C(C)(C)C1 ZINC000492787991 1037011821 /nfs/dbraw/zinc/01/18/21/1037011821.db2.gz GTXJXGDFJUSYAV-LLVKDONJSA-N 0 3 307.235 3.941 20 30 DHEDHN C=CCC[C@@H]1CCCN1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC001198414418 1037015567 /nfs/dbraw/zinc/01/55/67/1037015567.db2.gz RBDNSQBCQQIYRV-UYAOXDASSA-N 0 3 312.457 3.685 20 30 DHEDHN CCCCN1CCCC[C@@H]1CNc1nc(C)c(C#N)cc1Cl ZINC001185099274 1037027680 /nfs/dbraw/zinc/02/76/80/1037027680.db2.gz ZSBGWUMODSTADK-OAHLLOKOSA-N 0 3 320.868 3.982 20 30 DHEDHN CC[C@@H]1[C@@H](C)CCN1Cc1cc(C#N)ccc1Br ZINC000492844693 1037031408 /nfs/dbraw/zinc/03/14/08/1037031408.db2.gz DRYSKRDCHPTFCW-XHDPSFHLSA-N 0 3 307.235 3.941 20 30 DHEDHN C=CC[C@H](C(=O)NCCN(C)Cc1ccccc1)c1ccccc1 ZINC000488685395 1037107146 /nfs/dbraw/zinc/10/71/46/1037107146.db2.gz AHKRNNBLFVQOOT-FQEVSTJZSA-N 0 3 322.452 3.595 20 30 DHEDHN C=CCN(CC=C)C(=O)CN(C)[C@H](c1ccccc1C)C(C)C ZINC000488774139 1037132659 /nfs/dbraw/zinc/13/26/59/1037132659.db2.gz ZVISXWGROUXNTI-FQEVSTJZSA-N 0 3 314.473 3.825 20 30 DHEDHN C#CCOc1ccc(CNCc2ccc(C#N)c(Cl)c2)cc1 ZINC000800895916 1037269404 /nfs/dbraw/zinc/26/94/04/1037269404.db2.gz PFTALGYTNLIODH-UHFFFAOYSA-N 0 3 310.784 3.513 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC[C@@H](Nc2ccccc2)C1 ZINC000490029219 1037581549 /nfs/dbraw/zinc/58/15/49/1037581549.db2.gz XISBXWGUOIAMSH-LJQANCHMSA-N 0 3 321.424 3.514 20 30 DHEDHN COCCN(Cc1ccc(Cl)cc1C#N)[C@@H]1CCC[C@@H]1C ZINC000488061560 1037609799 /nfs/dbraw/zinc/60/97/99/1037609799.db2.gz KXQJYTJMZYHEHJ-SUMWQHHRSA-N 0 3 306.837 3.849 20 30 DHEDHN CC(C)CO[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000776165894 1037657106 /nfs/dbraw/zinc/65/71/06/1037657106.db2.gz YDDVZXIJMGKPBC-SJORKVTESA-N 0 3 304.409 3.627 20 30 DHEDHN C=CCOCc1ncn2c1CN(CCCCCCC)CCC2 ZINC001201762469 1037883882 /nfs/dbraw/zinc/88/38/82/1037883882.db2.gz MCJZZOFOKYVGGJ-UHFFFAOYSA-N 0 3 305.466 3.762 20 30 DHEDHN CCCCCCCCN1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001201813620 1037901644 /nfs/dbraw/zinc/90/16/44/1037901644.db2.gz HJRAFQZGPUANQF-KRWDZBQOSA-N 0 3 307.482 3.716 20 30 DHEDHN CCCCCCCN1Cc2cn(CC)nc2[C@H](COCC)C1 ZINC001201776336 1037905938 /nfs/dbraw/zinc/90/59/38/1037905938.db2.gz BVKMDFOJCCIDNL-KRWDZBQOSA-N 0 3 307.482 3.809 20 30 DHEDHN CCCCCCCCN1CCN(CCc2ccncc2)CC1 ZINC001201826385 1037910765 /nfs/dbraw/zinc/91/07/65/1037910765.db2.gz UUYPXKQQGLAYQP-UHFFFAOYSA-N 0 3 303.494 3.602 20 30 DHEDHN CCCCCCCCCN1Cc2ccnn2C[C@@H](COC)C1 ZINC001201847065 1037921433 /nfs/dbraw/zinc/92/14/33/1037921433.db2.gz RFUZLUWGMCRVML-KRWDZBQOSA-N 0 3 307.482 3.712 20 30 DHEDHN Cc1cc(C#N)ccc1CN1CCCN(c2ccccc2F)CC1 ZINC000586784739 1037967685 /nfs/dbraw/zinc/96/76/85/1037967685.db2.gz CMIPYHZAZJGZKI-UHFFFAOYSA-N 0 3 323.415 3.718 20 30 DHEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000586793832 1037972892 /nfs/dbraw/zinc/97/28/92/1037972892.db2.gz DROLYFXSPZDBTO-ZBEGNZNMSA-N 0 3 319.364 3.743 20 30 DHEDHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000571689511 1038181344 /nfs/dbraw/zinc/18/13/44/1038181344.db2.gz UHHVJUZRRRCGGH-GOEBONIOSA-N 0 3 310.445 3.853 20 30 DHEDHN C=C(Br)CN[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000164513089 1038205403 /nfs/dbraw/zinc/20/54/03/1038205403.db2.gz HLDPMRIQVMDBQY-QWHCGFSZSA-N 0 3 302.256 3.613 20 30 DHEDHN C=CCN1CCC[C@H]1CNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001191162584 1038453379 /nfs/dbraw/zinc/45/33/79/1038453379.db2.gz LUYCJGPLAMDFJO-KRWDZBQOSA-N 0 3 315.461 3.756 20 30 DHEDHN CCO[C@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)C12CCCCC2 ZINC001191320655 1038489138 /nfs/dbraw/zinc/48/91/38/1038489138.db2.gz VUAIYONYSRAJAR-MSOLQXFVSA-N 0 3 313.445 3.513 20 30 DHEDHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@H](O)c1cccc(C#N)c1 ZINC001192302873 1038632108 /nfs/dbraw/zinc/63/21/08/1038632108.db2.gz NFMCGIUZPTVWEK-CKNLXJGOSA-N 0 3 324.399 3.739 20 30 DHEDHN C#CCOCCN[C@@H](CC(C)C)c1cc(Cl)ccc1OC ZINC001192689010 1038692497 /nfs/dbraw/zinc/69/24/97/1038692497.db2.gz AIVOSBSAYWTMSJ-INIZCTEOSA-N 0 3 309.837 3.675 20 30 DHEDHN N#Cc1cccc(CN2CCC[C@H](Sc3ccncc3)C2)c1 ZINC001203762740 1038696773 /nfs/dbraw/zinc/69/67/73/1038696773.db2.gz PXYWRPCKWWLCRH-SFHVURJKSA-N 0 3 309.438 3.710 20 30 DHEDHN N#CCC[C@H](NC[C@@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000775552126 1038709057 /nfs/dbraw/zinc/70/90/57/1038709057.db2.gz FDGHBOFQCIRMTG-ZWKOTPCHSA-N 0 3 316.351 3.633 20 30 DHEDHN CC(C)(NCCC1(C#N)CCCCC1)C(=O)Nc1ccccc1 ZINC000591018758 1038742007 /nfs/dbraw/zinc/74/20/07/1038742007.db2.gz MYGMDKWNVUUQAR-UHFFFAOYSA-N 0 3 313.445 3.857 20 30 DHEDHN N#Cc1cnc(N[C@@H](CN2CCCCC2)c2ccccc2)c(F)c1 ZINC000591147493 1038764702 /nfs/dbraw/zinc/76/47/02/1038764702.db2.gz JQKSMJQZWLYXNY-SFHVURJKSA-N 0 3 324.403 3.731 20 30 DHEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc2cnccc2o1 ZINC000593632694 1038907658 /nfs/dbraw/zinc/90/76/58/1038907658.db2.gz HHDKYZRRHWHXAM-SFHVURJKSA-N 0 3 303.365 3.867 20 30 DHEDHN C=CCOc1c(Cl)cc(CNCC2(CC#N)CC2)cc1OC ZINC000598976621 1038971482 /nfs/dbraw/zinc/97/14/82/1038971482.db2.gz YMXNHPZJIDEBLC-UHFFFAOYSA-N 0 3 320.820 3.697 20 30 DHEDHN C=C(C)[C@H](NC[C@H](O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187791959 1039019438 /nfs/dbraw/zinc/01/94/38/1039019438.db2.gz GIUPIRVHQLUSKY-ROUUACIJSA-N 0 3 303.352 3.905 20 30 DHEDHN C=CCN1CCC(NC(=O)[C@H](CC2CCCC2)C(C)C)CC1 ZINC000604745047 1039535653 /nfs/dbraw/zinc/53/56/53/1039535653.db2.gz UKFUQSFIEWXMBC-GOSISDBHSA-N 0 3 306.494 3.606 20 30 DHEDHN COc1ccc([C@@H](C)[C@@H](C)NCC2(C#N)CCCC2)cc1OC ZINC000593654414 1039579326 /nfs/dbraw/zinc/57/93/26/1039579326.db2.gz BYODGIURONSXNS-LSDHHAIUSA-N 0 3 316.445 3.869 20 30 DHEDHN C[C@H](Cc1ccccc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000171928358 1039670433 /nfs/dbraw/zinc/67/04/33/1039670433.db2.gz WGTRYECKUPPBJA-HIFRSBDPSA-N 0 3 304.349 3.883 20 30 DHEDHN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000172020943 1039711911 /nfs/dbraw/zinc/71/19/11/1039711911.db2.gz ZQJFBPYRGSZPFH-CJNGLKHVSA-N 0 3 308.381 3.779 20 30 DHEDHN N#Cc1c(F)cccc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000059018936 1039713395 /nfs/dbraw/zinc/71/33/95/1039713395.db2.gz MCSSUPYBBNJPCI-MRXNPFEDSA-N 0 3 309.388 3.774 20 30 DHEDHN C#CCCOc1ccc(CNCc2ccc(C)c(OC)c2)cc1 ZINC000172116314 1039743718 /nfs/dbraw/zinc/74/37/18/1039743718.db2.gz PAYJXZFXPXTYQN-UHFFFAOYSA-N 0 3 309.409 3.696 20 30 DHEDHN C#CCOc1ccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000172116927 1039745465 /nfs/dbraw/zinc/74/54/65/1039745465.db2.gz BKZONHINIYPZJE-NHCUHLMSSA-N 0 3 321.420 3.709 20 30 DHEDHN Cc1ccccc1[C@H](NC(=O)[C@@H](N)CCCCC#N)C(C)(C)C ZINC000594433951 1039783436 /nfs/dbraw/zinc/78/34/36/1039783436.db2.gz VCRPQTSSWVMOPQ-IRXDYDNUSA-N 0 3 315.461 3.610 20 30 DHEDHN CC(C)[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(Cl)cc1 ZINC000594428273 1039785398 /nfs/dbraw/zinc/78/53/98/1039785398.db2.gz MBBXGNSPXQXKHZ-HOTGVXAUSA-N 0 3 321.852 3.565 20 30 DHEDHN CCC(CC)[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594426282 1039789537 /nfs/dbraw/zinc/78/95/37/1039789537.db2.gz DSSMHKHCFUEMBV-ROUUACIJSA-N 0 3 315.461 3.691 20 30 DHEDHN COc1cc(F)cc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594517284 1039823249 /nfs/dbraw/zinc/82/32/49/1039823249.db2.gz KFQXMXBUGBPWEJ-UHFFFAOYSA-N 0 3 310.372 3.875 20 30 DHEDHN Cc1cccc2ncc(CNC3(c4ccc(C#N)cc4)CCC3)n21 ZINC000594520942 1039830144 /nfs/dbraw/zinc/83/01/44/1039830144.db2.gz RSNQEEPEPGSTLK-UHFFFAOYSA-N 0 3 316.408 3.683 20 30 DHEDHN COc1ccc(C[C@H]2CCCCN2Cc2ccc(C#N)cn2)cc1 ZINC000594014365 1039940689 /nfs/dbraw/zinc/94/06/89/1039940689.db2.gz CAGQNDUNCIPOJK-LJQANCHMSA-N 0 3 321.424 3.559 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C2(C#N)CC2)cc1 ZINC000594939513 1039955410 /nfs/dbraw/zinc/95/54/10/1039955410.db2.gz RLKDXIIXGVXXGJ-FQEVSTJZSA-N 0 3 313.404 3.891 20 30 DHEDHN CN(C)c1cccc(CNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594031611 1039962381 /nfs/dbraw/zinc/96/23/81/1039962381.db2.gz JNBGPWHOMZZJHM-UHFFFAOYSA-N 0 3 305.425 3.793 20 30 DHEDHN C=CCCSCCNCc1nc2ccc(OC)cc2s1 ZINC000594960563 1039965992 /nfs/dbraw/zinc/96/59/92/1039965992.db2.gz TUUYDKKBTIPWQX-UHFFFAOYSA-N 0 3 308.472 3.704 20 30 DHEDHN N#CC1(CCCN2CC[C@H]2c2ccc(F)cc2)CCOCC1 ZINC000595700595 1040222082 /nfs/dbraw/zinc/22/20/82/1040222082.db2.gz CFHPPAQSWIXLMZ-KRWDZBQOSA-N 0 3 302.393 3.673 20 30 DHEDHN Cc1cc(F)ccc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595769380 1040234941 /nfs/dbraw/zinc/23/49/41/1040234941.db2.gz QVOGENHAFPNJSY-UHFFFAOYSA-N 0 3 324.399 3.801 20 30 DHEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966573 1040471771 /nfs/dbraw/zinc/47/17/71/1040471771.db2.gz CNGJJRAIUUGMLY-GOEBONIOSA-N 0 3 300.402 3.940 20 30 DHEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000173970686 1040472360 /nfs/dbraw/zinc/47/23/60/1040472360.db2.gz QNAJYXCTWUWNNS-BBRMVZONSA-N 0 3 308.381 3.923 20 30 DHEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000060466986 1040669940 /nfs/dbraw/zinc/66/99/40/1040669940.db2.gz JGRQWCPCDLWTIU-GOSISDBHSA-N 0 3 310.372 3.913 20 30 DHEDHN C=C[C@](C)(CC)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456353102 1040787083 /nfs/dbraw/zinc/78/70/83/1040787083.db2.gz ZBDIBIWAFDJXBE-YLJYHZDGSA-N 0 3 314.473 3.569 20 30 DHEDHN CCOCCC1(CNCc2cccc(F)c2C#N)CCCC1 ZINC000602014970 1040850301 /nfs/dbraw/zinc/85/03/01/1040850301.db2.gz XIWQCGBNALTBJA-UHFFFAOYSA-N 0 3 304.409 3.774 20 30 DHEDHN N#Cc1c(F)cccc1CNCCCCOCc1ccccc1 ZINC000602004617 1040853709 /nfs/dbraw/zinc/85/37/09/1040853709.db2.gz WHIWHUMCXCGXQU-UHFFFAOYSA-N 0 3 312.388 3.784 20 30 DHEDHN Cn1c(CNC2(c3cccc(C#N)c3)CC2)cc2ccccc21 ZINC000602584249 1041113251 /nfs/dbraw/zinc/11/32/51/1041113251.db2.gz XZYDBMAZPFFKPZ-UHFFFAOYSA-N 0 3 301.393 3.829 20 30 DHEDHN Cc1cc(-c2noc([C@H](C)NC[C@@H](C)CCC#N)n2)ccc1F ZINC000602641565 1041126952 /nfs/dbraw/zinc/12/69/52/1041126952.db2.gz GEKZICKAOIXVDG-AAEUAGOBSA-N 0 3 316.380 3.775 20 30 DHEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000602641548 1041127648 /nfs/dbraw/zinc/12/76/48/1041127648.db2.gz SRBDQADHHHFUDC-ZWKOTPCHSA-N 0 3 321.428 3.575 20 30 DHEDHN CCc1ccc(-c2noc([C@H](C)NC[C@@H](C)CCC#N)n2)cc1 ZINC000602643009 1041129489 /nfs/dbraw/zinc/12/94/89/1041129489.db2.gz KPTKGXWHGWICAJ-KBPBESRZSA-N 0 3 312.417 3.889 20 30 DHEDHN C[C@H](CCC#N)CN1CC(Cc2ccccc2Br)C1 ZINC000602731806 1041184982 /nfs/dbraw/zinc/18/49/82/1041184982.db2.gz YCXIMDZUTNLEAX-CYBMUJFWSA-N 0 3 321.262 3.863 20 30 DHEDHN N#CCC1(CN[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000602834708 1041247553 /nfs/dbraw/zinc/24/75/53/1041247553.db2.gz ZTKDESOGFWGXHB-AWEZNQCLSA-N 0 3 313.228 3.700 20 30 DHEDHN CC(C)(C#N)C[C@@H](O)CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000598598018 1041357090 /nfs/dbraw/zinc/35/70/90/1041357090.db2.gz MERFHBDCMRFTLI-QGZVFWFLSA-N 0 3 318.848 3.730 20 30 DHEDHN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598598663 1041357128 /nfs/dbraw/zinc/35/71/28/1041357128.db2.gz IBMIRTPIXLUOJA-KGLIPLIRSA-N 0 3 323.506 3.869 20 30 DHEDHN C=CC[C@@H](CC)NC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000281254200 334978758 /nfs/dbraw/zinc/97/87/58/334978758.db2.gz GJUBNUQQVGQDAF-GOSISDBHSA-N 0 3 317.477 3.634 20 30 DHEDHN CCN(C[C@@H]1COc2ccccc2O1)[C@H](C)c1cccc(C#N)c1 ZINC000442674689 335008631 /nfs/dbraw/zinc/00/86/31/335008631.db2.gz XAVCPMSUHMCZDR-CRAIPNDOSA-N 0 3 322.408 3.781 20 30 DHEDHN C#CCCOc1ccc(CN(C)C[C@@H](C)c2nccs2)cc1 ZINC000183262842 335018622 /nfs/dbraw/zinc/01/86/22/335018622.db2.gz BLGQWNONGYBNQR-OAHLLOKOSA-N 0 3 314.454 3.781 20 30 DHEDHN Cc1sc(NC(=O)CN(CC2CCC2)C(C)C)c(C#N)c1C ZINC000193201367 335044047 /nfs/dbraw/zinc/04/40/47/335044047.db2.gz QCEWOARXCCDPFX-UHFFFAOYSA-N 0 3 319.474 3.686 20 30 DHEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000184063170 335055204 /nfs/dbraw/zinc/05/52/04/335055204.db2.gz AAOLXJOPHQERAQ-KGLIPLIRSA-N 0 3 319.474 3.520 20 30 DHEDHN C#Cc1ccc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000289228007 335060797 /nfs/dbraw/zinc/06/07/97/335060797.db2.gz JZCUGBDZNTYPSU-INIZCTEOSA-N 0 3 318.420 3.646 20 30 DHEDHN C#Cc1ccc(CN[C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000289252045 335061194 /nfs/dbraw/zinc/06/11/94/335061194.db2.gz MAEZQHPVMYEPGK-HNNXBMFYSA-N 0 3 309.409 3.844 20 30 DHEDHN COc1ccc([C@H](OC)[C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000271875011 129974983 /nfs/dbraw/zinc/97/49/83/129974983.db2.gz NSZHVERDZVGWPL-AUSJPIAWSA-N 0 3 324.424 3.994 20 30 DHEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)COC2 ZINC000272175613 130005400 /nfs/dbraw/zinc/00/54/00/130005400.db2.gz DVTJBVCXIYLWPZ-CQSZACIVSA-N 0 3 304.393 3.928 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1 ZINC000274225510 130220227 /nfs/dbraw/zinc/22/02/27/130220227.db2.gz ZSARGPXLKWIKAO-IEBWSBKVSA-N 0 3 310.372 3.707 20 30 DHEDHN COc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc(OC)c1 ZINC000275037758 130284059 /nfs/dbraw/zinc/28/40/59/130284059.db2.gz LVUJFLLBZQDKJN-AWEZNQCLSA-N 0 3 310.397 3.768 20 30 DHEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285379917 131162552 /nfs/dbraw/zinc/16/25/52/131162552.db2.gz ROTHINXDZUEEOZ-AWEZNQCLSA-N 0 3 309.369 3.702 20 30 DHEDHN CCN(Cc1ccc(C#N)s1)Cc1ccc(CN(C)C)cc1 ZINC000289471756 131389335 /nfs/dbraw/zinc/38/93/35/131389335.db2.gz POKFVHZTINGZOY-UHFFFAOYSA-N 0 3 313.470 3.703 20 30 DHEDHN CC[C@@H](COCC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1 ZINC000297433169 132014586 /nfs/dbraw/zinc/01/45/86/132014586.db2.gz VLZNYMSMIIMXBG-RISCZKNCSA-N 0 3 300.324 3.566 20 30 DHEDHN CC(C)n1ncc2cc(CN[C@@H](C)c3ccc(C#N)cc3)cnc21 ZINC000299519720 132109664 /nfs/dbraw/zinc/10/96/64/132109664.db2.gz AOEJBTSDGGFNFK-AWEZNQCLSA-N 0 3 319.412 3.735 20 30 DHEDHN CC1(C)CCCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000119795317 132137342 /nfs/dbraw/zinc/13/73/42/132137342.db2.gz XTCCIHKIEWPNEK-HNNXBMFYSA-N 0 3 319.836 3.709 20 30 DHEDHN Cc1nc(NC[C@H](c2ccccc2)N2CCCC2)ccc1C#N ZINC000487895379 429172075 /nfs/dbraw/zinc/17/20/75/429172075.db2.gz INGIGHCPUGPQDS-GOSISDBHSA-N 0 3 306.413 3.511 20 30 DHEDHN C=CCC[C@H](NC(=O)CC1CCN(C)CC1)c1ccccc1 ZINC000292059504 335087772 /nfs/dbraw/zinc/08/77/72/335087772.db2.gz GBEJKWLAOMLVJA-SFHVURJKSA-N 0 3 300.446 3.542 20 30 DHEDHN CCN(CC)[C@H](CNc1ccc(C#N)c(C)n1)c1ccsc1 ZINC000487929721 435630929 /nfs/dbraw/zinc/63/09/29/435630929.db2.gz LAMVKIYHLOPXJX-MRXNPFEDSA-N 0 3 314.458 3.818 20 30 DHEDHN Cc1ccc([C@H](CNc2ccc(C#N)c(C)n2)N2CCCC2)cc1 ZINC000488069365 435633909 /nfs/dbraw/zinc/63/39/09/435633909.db2.gz NGPJIXVMDVHDOH-IBGZPJMESA-N 0 3 320.440 3.819 20 30 DHEDHN C=CCC[C@@H](CC)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000186658597 331459394 /nfs/dbraw/zinc/45/93/94/331459394.db2.gz HJPLDBCUJBOELF-MSOLQXFVSA-N 0 3 301.409 3.983 20 30 DHEDHN C=CC[C@H](CO)N[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000186693873 331466375 /nfs/dbraw/zinc/46/63/75/331466375.db2.gz WCUZHZNXDQCQJU-MWLCHTKSSA-N 0 3 305.752 3.529 20 30 DHEDHN C[C@H](NCc1ccc(C#N)s1)c1ccc(-c2cncnc2)cc1 ZINC000363358551 331604001 /nfs/dbraw/zinc/60/40/01/331604001.db2.gz HCVDVAMTFRTWEC-ZDUSSCGKSA-N 0 3 320.421 3.928 20 30 DHEDHN CC1(C)CCC[C@H]1NCc1ccc(Br)cc1C#N ZINC000311233734 331835782 /nfs/dbraw/zinc/83/57/82/331835782.db2.gz YAXQNMGDWJBLPJ-CQSZACIVSA-N 0 3 307.235 3.989 20 30 DHEDHN CC(C)[C@@H]1C[C@H](CN[C@@H](C)c2ccc(C#N)cc2F)CCO1 ZINC000558189565 331882513 /nfs/dbraw/zinc/88/25/13/331882513.db2.gz IVKLJOYYMHICOQ-JOQOYGCGSA-N 0 3 304.409 3.799 20 30 DHEDHN C[C@@H](NCCN1CCCc2ccccc21)c1ccc(C#N)cc1 ZINC000558741791 331940659 /nfs/dbraw/zinc/94/06/59/331940659.db2.gz MOXIDPTXKRFYTA-MRXNPFEDSA-N 0 3 305.425 3.662 20 30 DHEDHN C=C(C)COCCN[C@H]1CCc2cc(Br)ccc21 ZINC000090451227 331998285 /nfs/dbraw/zinc/99/82/85/331998285.db2.gz DWTDMCCMNRKJKC-HNNXBMFYSA-N 0 3 310.235 3.619 20 30 DHEDHN CC#CCN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000518408582 332028014 /nfs/dbraw/zinc/02/80/14/332028014.db2.gz URKWJJNLVXZGPD-INIZCTEOSA-N 0 3 311.347 3.786 20 30 DHEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000186687407 332941156 /nfs/dbraw/zinc/94/11/56/332941156.db2.gz DFIKNPLFNKAEMN-GWCFXTLKSA-N 0 3 324.218 3.783 20 30 DHEDHN Cc1cc(CNCc2cccc(C#N)c2)ccc1Br ZINC000091469581 332070216 /nfs/dbraw/zinc/07/02/16/332070216.db2.gz BTTKGAQZYDVTMB-UHFFFAOYSA-N 0 3 315.214 3.919 20 30 DHEDHN COc1ccc(CCCN(C)Cc2cc(C#N)cs2)cc1 ZINC000092163900 332120725 /nfs/dbraw/zinc/12/07/25/332120725.db2.gz IWWMJTOFYVQXOT-UHFFFAOYSA-N 0 3 300.427 3.693 20 30 DHEDHN C=CCC[C@@H](C(=O)NC[C@H]1CCCCN1CC)c1ccccc1 ZINC000427013943 332164795 /nfs/dbraw/zinc/16/47/95/332164795.db2.gz YGCUSELKXAMHHH-RTBURBONSA-N 0 3 314.473 3.727 20 30 DHEDHN C=CC[C@H](C(=O)NCCN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000427001297 332165099 /nfs/dbraw/zinc/16/50/99/332165099.db2.gz ISVYKOCWMPZBTF-LNLFQRSKSA-N 0 3 314.473 3.725 20 30 DHEDHN C=CCCCN[C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000448025521 332192080 /nfs/dbraw/zinc/19/20/80/332192080.db2.gz DOOHXPDDRRYUBX-GFCCVEGCSA-N 0 3 304.825 3.846 20 30 DHEDHN C=CCCCN[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000448026015 332194089 /nfs/dbraw/zinc/19/40/89/332194089.db2.gz GQTFAMDRAWQQOM-ROUUACIJSA-N 0 3 321.486 3.636 20 30 DHEDHN C=CCSCCNCc1ccccc1OCc1cccnc1 ZINC000236687943 332201784 /nfs/dbraw/zinc/20/17/84/332201784.db2.gz JGNLPGMWCYDGBI-UHFFFAOYSA-N 0 3 314.454 3.669 20 30 DHEDHN CCc1nc2c(s1)[C@H](N(C)CCCSCC#N)CCC2 ZINC000152497132 332301459 /nfs/dbraw/zinc/30/14/59/332301459.db2.gz JTHWYAVTRDQFEG-CYBMUJFWSA-N 0 3 309.504 3.662 20 30 DHEDHN CO[C@@H](CNCc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000237091139 332308243 /nfs/dbraw/zinc/30/82/43/332308243.db2.gz FZSRABFYXCKOEZ-FQEVSTJZSA-N 0 3 324.424 3.846 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000449518362 332344085 /nfs/dbraw/zinc/34/40/85/332344085.db2.gz IZCICHBQOSUZNG-OLZOCXBDSA-N 0 3 305.727 3.792 20 30 DHEDHN N#Cc1ccc2ncc(CN3CCC[C@H](c4ccccc4)C3)n2c1 ZINC000560542462 332355655 /nfs/dbraw/zinc/35/56/55/332355655.db2.gz SQZCNHGLCSLPIU-SFHVURJKSA-N 0 3 316.408 3.586 20 30 DHEDHN C=CCN(CC1CCCCC1)C(=O)C[C@@H](N)c1ccccc1 ZINC000237829234 332392937 /nfs/dbraw/zinc/39/29/37/332392937.db2.gz KTROQGHRSUXBKN-GOSISDBHSA-N 0 3 300.446 3.671 20 30 DHEDHN C=C(C)CN1CCC(Nc2nccc(C)c2Br)CC1 ZINC000561209490 332424473 /nfs/dbraw/zinc/42/44/73/332424473.db2.gz HBHMWRXCVNEYTP-UHFFFAOYSA-N 0 3 324.266 3.605 20 30 DHEDHN C=C[C@](C)(CC)c1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000561897047 332513626 /nfs/dbraw/zinc/51/36/26/332513626.db2.gz MXGGJFTUNQQXCG-GOSISDBHSA-N 0 3 315.417 3.531 20 30 DHEDHN C=CC[C@@H](C)NCc1ccc(OC)cc1OCc1cccnc1 ZINC000443986302 332647934 /nfs/dbraw/zinc/64/79/34/332647934.db2.gz IIKOIQIADHTYJP-OAHLLOKOSA-N 0 3 312.413 3.723 20 30 DHEDHN C=CCOCCN[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000293783818 335117472 /nfs/dbraw/zinc/11/74/72/335117472.db2.gz LZBDHFIAVLMAQD-INIZCTEOSA-N 0 3 312.413 3.514 20 30 DHEDHN CC(C)(C#N)CCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000174843945 333091568 /nfs/dbraw/zinc/09/15/68/333091568.db2.gz ANAQEPGADUZEJE-INIZCTEOSA-N 0 3 314.429 3.925 20 30 DHEDHN CCOCc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181476495 333169481 /nfs/dbraw/zinc/16/94/81/333169481.db2.gz ZIVGJSRWYNVDQO-INIZCTEOSA-N 0 3 324.424 3.976 20 30 DHEDHN CCC(CC)N(CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000582026723 333172211 /nfs/dbraw/zinc/17/22/11/333172211.db2.gz SZBDSMKDESSOSM-UHFFFAOYSA-N 0 3 307.463 3.686 20 30 DHEDHN N#CCC1(CNCc2cc(Br)c(Cl)s2)CC1 ZINC000309637143 333184848 /nfs/dbraw/zinc/18/48/48/333184848.db2.gz NAPVGSMBFFVEIE-UHFFFAOYSA-N 0 3 319.655 3.947 20 30 DHEDHN COc1cc(F)c([C@H](C)NCCCC(C)(C)C#N)cc1OC ZINC000183445918 333185072 /nfs/dbraw/zinc/18/50/72/333185072.db2.gz HZMKTIYOZVDUBH-LBPRGKRZSA-N 0 3 308.397 3.823 20 30 DHEDHN N#C[C@H]1CCC[C@H](Nc2cccc(CN3CCSCC3)c2)C1 ZINC000185743591 333213258 /nfs/dbraw/zinc/21/32/58/333213258.db2.gz OIAHJSJFTNROGJ-RDJZCZTQSA-N 0 3 315.486 3.730 20 30 DHEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000185780213 333213987 /nfs/dbraw/zinc/21/39/87/333213987.db2.gz CLZRAZBHSRXAOO-GXTWGEPZSA-N 0 3 312.335 3.800 20 30 DHEDHN CC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000185792375 333214169 /nfs/dbraw/zinc/21/41/69/333214169.db2.gz JAYLUWIXJDLIAP-CWRNSKLLSA-N 0 3 300.402 3.581 20 30 DHEDHN N#C[C@@H]1CCC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185886793 333215528 /nfs/dbraw/zinc/21/55/28/333215528.db2.gz DIXSEWGYWFIPEB-ZBFHGGJFSA-N 0 3 306.331 3.729 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000185342634 335129191 /nfs/dbraw/zinc/12/91/91/335129191.db2.gz FRHSTIXGOSOMDD-OAHLLOKOSA-N 0 3 320.502 3.679 20 30 DHEDHN C#CCOc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1 ZINC000294917413 335130420 /nfs/dbraw/zinc/13/04/20/335130420.db2.gz FJQVZOVFOAZQNI-HXUWFJFHSA-N 0 3 306.409 3.735 20 30 DHEDHN C#CCOc1ccc(CN[C@H]2CCCNc3ccccc32)cc1 ZINC000294917412 335130446 /nfs/dbraw/zinc/13/04/46/335130446.db2.gz FJQVZOVFOAZQNI-FQEVSTJZSA-N 0 3 306.409 3.735 20 30 DHEDHN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000120674524 333305260 /nfs/dbraw/zinc/30/52/60/333305260.db2.gz CBTCFQQWXRTDDG-KGLIPLIRSA-N 0 3 307.397 3.928 20 30 DHEDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC1(CC#N)CC1 ZINC000430740786 335134210 /nfs/dbraw/zinc/13/42/10/335134210.db2.gz KWKDOYHDAITHLH-ZDUSSCGKSA-N 0 3 319.430 3.749 20 30 DHEDHN C=C[C@@](C)(CC)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000188418250 333366067 /nfs/dbraw/zinc/36/60/67/333366067.db2.gz CCKNEUNDVNQQGQ-UZLBHIALSA-N 0 3 314.473 3.931 20 30 DHEDHN N#Cc1cccc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1F ZINC000391946092 335136476 /nfs/dbraw/zinc/13/64/76/335136476.db2.gz WIVAQLZRJVBPMT-KSZLIROESA-N 0 3 316.420 3.603 20 30 DHEDHN C[C@@H](NCC(=O)Nc1sccc1C#N)[C@H](C)C1CCCCC1 ZINC000185516585 335137958 /nfs/dbraw/zinc/13/79/58/335137958.db2.gz DPRAMLOKJBLTHW-QWHCGFSZSA-N 0 3 319.474 3.753 20 30 DHEDHN C#CCOc1ccc(CN[C@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000295845709 335139859 /nfs/dbraw/zinc/13/98/59/335139859.db2.gz ARTSXICFXFUQIK-OAHLLOKOSA-N 0 3 311.429 3.635 20 30 DHEDHN C=CCN1CCC(NC(=O)Nc2cccc3ccsc32)CC1 ZINC000337316112 333445817 /nfs/dbraw/zinc/44/58/17/333445817.db2.gz DADMNILRNBJTTN-UHFFFAOYSA-N 0 3 315.442 3.673 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000296382340 335144200 /nfs/dbraw/zinc/14/42/00/335144200.db2.gz JRWMZSBRSIMUOJ-HXUWFJFHSA-N 0 3 306.409 3.725 20 30 DHEDHN C#CCOc1ccc(CN[C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000296402171 335144334 /nfs/dbraw/zinc/14/43/34/335144334.db2.gz KOVGEXBQASSOEO-FQEVSTJZSA-N 0 3 304.393 3.811 20 30 DHEDHN C=CCCCCCNC(=O)Nc1ccccc1CCN(C)C ZINC000563363248 333596624 /nfs/dbraw/zinc/59/66/24/333596624.db2.gz KAPUAGKGZNFKHX-UHFFFAOYSA-N 0 3 303.450 3.659 20 30 DHEDHN C=C(C)COc1cc(CN2CC[C@H](C)[C@H](OC)C2)ccc1OC ZINC000343445192 335165231 /nfs/dbraw/zinc/16/52/31/335165231.db2.gz PETHDYAHGDHCEB-HNAYVOBHSA-N 0 3 319.445 3.507 20 30 DHEDHN CC[C@@H](N[C@@H]1Cc2ccccc2[C@@H]1OC)c1ccc(C#N)cc1 ZINC000414228871 333925969 /nfs/dbraw/zinc/92/59/69/333925969.db2.gz YMFSYURWJIYMJL-AQNXPRMDSA-N 0 3 306.409 3.911 20 30 DHEDHN N#CCc1ccc(CN(CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000343419569 335163442 /nfs/dbraw/zinc/16/34/42/335163442.db2.gz LVPGKFDMXRHEQG-OAQYLSRUSA-N 0 3 320.436 3.625 20 30 DHEDHN C=C(C)COc1cc(CN[C@H]2CS[C@@H](C)C2)ccc1OC ZINC000414506855 334001024 /nfs/dbraw/zinc/00/10/24/334001024.db2.gz XOZTURRZBPFYBJ-DZGCQCFKSA-N 0 3 307.459 3.634 20 30 DHEDHN N#CCc1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000343519890 335174114 /nfs/dbraw/zinc/17/41/14/335174114.db2.gz CVWYPFXYVXRFKM-UHFFFAOYSA-N 0 3 324.399 3.935 20 30 DHEDHN CC(C)(C)c1nn(Cc2ccccc2)cc1CNCCCC#N ZINC000273044948 334042628 /nfs/dbraw/zinc/04/26/28/334042628.db2.gz JEZKQDQSDNVHAS-UHFFFAOYSA-N 0 3 310.445 3.622 20 30 DHEDHN C[C@@H](NCCCC#N)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000273173992 334043956 /nfs/dbraw/zinc/04/39/56/334043956.db2.gz COUDGSDJRBKRQT-GDBMZVCRSA-N 0 3 320.408 3.728 20 30 DHEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000273251090 334044759 /nfs/dbraw/zinc/04/47/59/334044759.db2.gz RPNFAFDAEBXAPN-ZDUSSCGKSA-N 0 3 301.434 3.593 20 30 DHEDHN CCCCCCCC[NH2+][C@H](c1nc(-c2nc[n-]n2)no1)C(C)C ZINC000275255688 334070336 /nfs/dbraw/zinc/07/03/36/334070336.db2.gz ZDAUSTLGAMAMBB-ZDUSSCGKSA-N 0 3 320.441 3.502 20 30 DHEDHN CCCCCCCCN[C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000275255688 334070338 /nfs/dbraw/zinc/07/03/38/334070338.db2.gz ZDAUSTLGAMAMBB-ZDUSSCGKSA-N 0 3 320.441 3.502 20 30 DHEDHN Cc1c(Cl)cnc(NC[C@@H](c2ccccc2)N(C)C)c1C#N ZINC000343504903 335172140 /nfs/dbraw/zinc/17/21/40/335172140.db2.gz CQIKESWTKQQELC-INIZCTEOSA-N 0 3 314.820 3.630 20 30 DHEDHN CC(C)(C#N)CCCCN1CCC(Oc2ccc(F)nc2)CC1 ZINC000278726744 334100474 /nfs/dbraw/zinc/10/04/74/334100474.db2.gz KZWQIYGAIGKOAJ-UHFFFAOYSA-N 0 3 319.424 3.784 20 30 DHEDHN Cc1ccnc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1C#N ZINC000343512811 335173099 /nfs/dbraw/zinc/17/30/99/335173099.db2.gz OLULSAKCGUKDCJ-DOTOQJQBSA-N 0 3 306.413 3.509 20 30 DHEDHN CC(C)[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279301944 334107517 /nfs/dbraw/zinc/10/75/17/334107517.db2.gz MERGIYHOYAXGES-QRVBRYPASA-N 0 3 323.440 3.572 20 30 DHEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCC(C)(C)CC1 ZINC000280292109 334116044 /nfs/dbraw/zinc/11/60/44/334116044.db2.gz ZOOMXHJIUATMPU-KRWDZBQOSA-N 0 3 323.440 3.668 20 30 DHEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1c(F)cccc1F ZINC000282086895 334131184 /nfs/dbraw/zinc/13/11/84/334131184.db2.gz UZCKZPFNASMXFK-CYBMUJFWSA-N 0 3 308.372 3.716 20 30 DHEDHN N#CCC[C@H](N[C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000287695734 334158338 /nfs/dbraw/zinc/15/83/38/334158338.db2.gz NIQKDVBIVYKCNU-QLFBSQMISA-N 0 3 312.335 3.731 20 30 DHEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC000293477739 334198184 /nfs/dbraw/zinc/19/81/84/334198184.db2.gz MECJAPVNUUKLGH-JSGCOSHPSA-N 0 3 306.356 3.500 20 30 DHEDHN C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CCOCCC#N ZINC000293482494 334198197 /nfs/dbraw/zinc/19/81/97/334198197.db2.gz MLZOXUDAORMQCT-NSHDSACASA-N 0 3 301.217 3.916 20 30 DHEDHN N#CCCOCCN1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000293734420 334201506 /nfs/dbraw/zinc/20/15/06/334201506.db2.gz GZCYVVPCHRTMBF-UHFFFAOYSA-N 0 3 324.877 3.827 20 30 DHEDHN N#CCCOCCN[C@@H](Cc1ccccc1)c1ccccc1F ZINC000293777990 334202208 /nfs/dbraw/zinc/20/22/08/334202208.db2.gz LNFVESGYYXVVLQ-IBGZPJMESA-N 0 3 312.388 3.629 20 30 DHEDHN C[C@H](NCCOCCC#N)c1cccc(OCc2ccccc2)c1 ZINC000294185795 334206645 /nfs/dbraw/zinc/20/66/45/334206645.db2.gz QTJGBVXUZVNSIJ-KRWDZBQOSA-N 0 3 324.424 3.846 20 30 DHEDHN C=CCC[C@H](NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000514094530 334272874 /nfs/dbraw/zinc/27/28/74/334272874.db2.gz NOTUQKXJSGWSAO-BBWFWOEESA-N 0 3 320.477 3.764 20 30 DHEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(CSC(F)F)o2)C1 ZINC000294991172 334215295 /nfs/dbraw/zinc/21/52/95/334215295.db2.gz HNYFUBDJIPURSL-QWRGUYRKSA-N 0 3 300.374 3.907 20 30 DHEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298189798 334247144 /nfs/dbraw/zinc/24/71/44/334247144.db2.gz BDHXVWDFEWQQLB-WBVHZDCISA-N 0 3 304.384 3.965 20 30 DHEDHN COc1ccc(C[C@@H](NCCCC#N)c2ccccc2)cc1OC ZINC000341633419 334466924 /nfs/dbraw/zinc/46/69/24/334466924.db2.gz FJVVNVDGXVUNJA-GOSISDBHSA-N 0 3 324.424 3.881 20 30 DHEDHN C=C(CC)CN[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000341881080 334489082 /nfs/dbraw/zinc/48/90/82/334489082.db2.gz WJZWEXWZKZEEAM-HNNXBMFYSA-N 0 3 309.413 3.951 20 30 DHEDHN C=CCN(CCc1ccccc1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415986518 334637516 /nfs/dbraw/zinc/63/75/16/334637516.db2.gz BCPQZTIQHWLHKA-UHFFFAOYSA-N 0 3 321.424 3.552 20 30 DHEDHN C[C@H](N[C@H](CO)CC1CCCCC1)c1ccc(C#N)cc1F ZINC000417367756 334761778 /nfs/dbraw/zinc/76/17/78/334761778.db2.gz PHCKTGUBOOBLIP-BBRMVZONSA-N 0 3 304.409 3.679 20 30 DHEDHN C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000331233560 334849176 /nfs/dbraw/zinc/84/91/76/334849176.db2.gz JUUDEEGHRQMCBK-UHFFFAOYSA-N 0 3 316.445 3.861 20 30 DHEDHN COc1cc(C)c([C@H](C)NCc2ccc(CC#N)cc2)cc1OC ZINC000343824981 335195786 /nfs/dbraw/zinc/19/57/86/335195786.db2.gz QCKCFGGALLTBBK-HNNXBMFYSA-N 0 3 324.424 3.929 20 30 DHEDHN Cc1cc(CN(C)CCOCc2ccc(C#N)cc2)c(C)s1 ZINC000344066950 335214647 /nfs/dbraw/zinc/21/46/47/335214647.db2.gz IGGLUBVIRDUDOI-UHFFFAOYSA-N 0 3 314.454 3.885 20 30 DHEDHN CCO[C@H](CCNCc1ccc(C#N)cc1F)C1CCCC1 ZINC000344610881 335263730 /nfs/dbraw/zinc/26/37/30/335263730.db2.gz ASKBNWZFNHYXTG-GOSISDBHSA-N 0 3 304.409 3.772 20 30 DHEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)C(C)C#N ZINC000345456318 335326709 /nfs/dbraw/zinc/32/67/09/335326709.db2.gz WQLSTAHZAKYFFJ-WCQYABFASA-N 0 3 313.426 3.798 20 30 DHEDHN C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000346068113 335372299 /nfs/dbraw/zinc/37/22/99/335372299.db2.gz MPBJUEPAMPHHGD-DNVCBOLYSA-N 0 3 323.415 3.622 20 30 DHEDHN Cc1ccc([C@H](CC(=O)OC(C)C)NCCC(C)(C)C#N)cc1 ZINC000347020853 335459977 /nfs/dbraw/zinc/45/99/77/335459977.db2.gz VFLKHLFNAGMXPC-KRWDZBQOSA-N 0 3 316.445 3.907 20 30 DHEDHN COc1cc(CNCc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000323848922 335644890 /nfs/dbraw/zinc/64/48/90/335644890.db2.gz ORNVCWZFAOPVMG-UHFFFAOYSA-N 0 3 320.314 3.875 20 30 DHEDHN C=C(C)[C@H](NC1CCC(C(=O)OC)CC1)c1ccc(F)c(F)c1 ZINC000192448036 336033010 /nfs/dbraw/zinc/03/30/10/336033010.db2.gz SCAAJQKUJXCWLF-AJUCZRQESA-N 0 3 323.383 3.903 20 30 DHEDHN CC(C)N1CCC(NC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000329922513 336095638 /nfs/dbraw/zinc/09/56/38/336095638.db2.gz UAHHYNGFQGDYBM-UHFFFAOYSA-N 0 3 305.422 3.510 20 30 DHEDHN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C1CCCC1 ZINC000330145721 336117977 /nfs/dbraw/zinc/11/79/77/336117977.db2.gz HLOZBPKQZCFXMI-SFHVURJKSA-N 0 3 324.428 3.867 20 30 DHEDHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332640313 336177156 /nfs/dbraw/zinc/17/71/56/336177156.db2.gz HKABGYVIQHLZAZ-LAQFHYBYSA-N 0 3 310.401 3.523 20 30 DHEDHN C[C@@H]1CCC[C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)[C@H]1C ZINC000332713720 336179939 /nfs/dbraw/zinc/17/99/39/336179939.db2.gz YQQCHJQBOVEULF-DVOMOZLQSA-N 0 3 310.401 3.523 20 30 DHEDHN CC1CCC(N(C)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000332721057 336180236 /nfs/dbraw/zinc/18/02/36/336180236.db2.gz XDEIXTVXRVOBGS-UHFFFAOYSA-N 0 3 310.401 3.619 20 30 DHEDHN N#Cc1ccc2ncc(CNCc3ccc4sccc4c3)n2c1 ZINC000352454213 336220162 /nfs/dbraw/zinc/22/01/62/336220162.db2.gz SXPMCOSNYKARLT-UHFFFAOYSA-N 0 3 318.405 3.710 20 30 DHEDHN C=CCN(CCc1ccco1)Cc1cc2ccccc2[nH]c1=O ZINC000352700268 336231129 /nfs/dbraw/zinc/23/11/29/336231129.db2.gz BIUJLCKDWWIXBC-UHFFFAOYSA-N 0 3 308.381 3.764 20 30 DHEDHN N#Cc1csc(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000352804301 336240824 /nfs/dbraw/zinc/24/08/24/336240824.db2.gz WJIIHKQNERFPOK-OAHLLOKOSA-N 0 3 313.401 3.880 20 30 DHEDHN C[C@H](CNCc1ccc(C#N)cc1F)Oc1ccccc1Cl ZINC000532566560 336255736 /nfs/dbraw/zinc/25/57/36/336255736.db2.gz GPYUYACPXAGZPH-GFCCVEGCSA-N 0 3 318.779 3.908 20 30 DHEDHN C[C@H](NC[C@@H](c1ccco1)N1CCCC1)c1ccc(C#N)cc1 ZINC000192915953 336284310 /nfs/dbraw/zinc/28/43/10/336284310.db2.gz WHRFOILYNKDQRW-YJBOKZPZSA-N 0 3 309.413 3.639 20 30 DHEDHN C/C(=C/c1ccccc1OC(F)F)CNCC1(CC#N)CC1 ZINC000352871789 336286148 /nfs/dbraw/zinc/28/61/48/336286148.db2.gz POADNDADWDXKPN-RAXLEYEMSA-N 0 3 306.356 3.975 20 30 DHEDHN CC1CCN([C@H](CNc2ncccc2C#N)c2ccccc2)CC1 ZINC000301112883 336290638 /nfs/dbraw/zinc/29/06/38/336290638.db2.gz XKTLDWRUGUITRO-LJQANCHMSA-N 0 3 320.440 3.838 20 30 DHEDHN CN(C)[C@H](CNc1c(F)cc(C#N)cc1F)c1ccc(F)cc1 ZINC000301131813 336291627 /nfs/dbraw/zinc/29/16/27/336291627.db2.gz ZNALDDXFAQMFML-MRXNPFEDSA-N 0 3 319.330 3.690 20 30 DHEDHN CCN(CC)[C@@H](CNc1cccc(F)c1C#N)c1ccco1 ZINC000301176337 336293402 /nfs/dbraw/zinc/29/34/02/336293402.db2.gz ZBEVQFBDFGJGFB-INIZCTEOSA-N 0 3 301.365 3.785 20 30 DHEDHN CN(C)[C@@H](CNc1ccc(Cl)cc1C#N)c1cccs1 ZINC000301180639 336293729 /nfs/dbraw/zinc/29/37/29/336293729.db2.gz HOUUAYLMGNXHHN-AWEZNQCLSA-N 0 3 305.834 3.988 20 30 DHEDHN COc1cccc(C2(CNCc3ccc(C#N)cc3F)CC2)c1 ZINC000352883653 336324285 /nfs/dbraw/zinc/32/42/85/336324285.db2.gz CUOSOGRLRKQSCM-UHFFFAOYSA-N 0 3 310.372 3.527 20 30 DHEDHN C[C@@H]1CN(CCCCNc2c(Cl)cccc2C#N)C[C@H](C)O1 ZINC000301727042 336325923 /nfs/dbraw/zinc/32/59/23/336325923.db2.gz QMEZBNXKKSHAAV-OKILXGFUSA-N 0 3 321.852 3.513 20 30 DHEDHN CCN(CC)[C@H](CNc1c(C#N)cccc1C#N)c1ccsc1 ZINC000302814503 336370296 /nfs/dbraw/zinc/37/02/96/336370296.db2.gz BHAVAEBJEFCXJJ-QGZVFWFLSA-N 0 3 324.453 3.986 20 30 DHEDHN C[C@@H]1C[C@H](Nc2c(C#N)cccc2C#N)CN1Cc1ccccc1 ZINC000302898410 336373627 /nfs/dbraw/zinc/37/36/27/336373627.db2.gz RTCGRLZDLMZRRC-BEFAXECRSA-N 0 3 316.408 3.505 20 30 DHEDHN CN(CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCCC1 ZINC000302921929 336374196 /nfs/dbraw/zinc/37/41/96/336374196.db2.gz QOZXMDLIBBMEPO-UHFFFAOYSA-N 0 3 319.836 3.805 20 30 DHEDHN COc1ccccc1O[C@@H](C)CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353272287 336409401 /nfs/dbraw/zinc/40/94/01/336409401.db2.gz LJAMHLCSAYIPEJ-KSSFIOAISA-N 0 3 322.408 3.611 20 30 DHEDHN CC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000356106397 336535815 /nfs/dbraw/zinc/53/58/15/336535815.db2.gz KCQIVGPPXTVRRU-CABCVRRESA-N 0 3 312.335 3.624 20 30 DHEDHN Cc1nc(CCN[C@@H](C)c2ccc(C#N)cc2F)sc1C ZINC000358592944 336636088 /nfs/dbraw/zinc/63/60/88/336636088.db2.gz RBELCOCKFLKSLM-NSHDSACASA-N 0 3 303.406 3.664 20 30 DHEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](CO)c1ccccc1 ZINC000360645279 336717149 /nfs/dbraw/zinc/71/71/49/336717149.db2.gz CTNMSZBZKBFAQT-VQTJNVASSA-N 0 3 306.409 3.649 20 30 DHEDHN Cc1nnc([C@@H]2CC23CCN([C@H](C)c2ccc(C#N)cc2)CC3)o1 ZINC000369448719 336864849 /nfs/dbraw/zinc/86/48/49/336864849.db2.gz VPEYYCPXDUYMCS-DYVFJYSZSA-N 0 3 322.412 3.580 20 30 DHEDHN N#CC1(CN[C@H]2CCc3cccc(Br)c3C2)CCC1 ZINC000418144966 336896833 /nfs/dbraw/zinc/89/68/33/336896833.db2.gz WCDLUXJFPUIAMZ-ZDUSSCGKSA-N 0 3 319.246 3.590 20 30 DHEDHN CCCCCCCC(=O)N1CC[C@@H](N)c2cc(OC)ccc21 ZINC000373182154 336950717 /nfs/dbraw/zinc/95/07/17/336950717.db2.gz ZNOULLVJUATAAK-MRXNPFEDSA-N 0 3 304.434 3.792 20 30 DHEDHN N#Cc1ccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000304019957 336982202 /nfs/dbraw/zinc/98/22/02/336982202.db2.gz XURBWXDKRFQZAQ-HXUWFJFHSA-N 0 3 324.399 3.643 20 30 DHEDHN C[C@@H]1N(CC#Cc2ccc(Cl)cc2)CCC12CCOCC2 ZINC000375242995 337006442 /nfs/dbraw/zinc/00/64/42/337006442.db2.gz SNYJDLVBKCJQMH-HNNXBMFYSA-N 0 3 303.833 3.583 20 30 DHEDHN N#Cc1ccc(CN[C@H]2C[C@H](c3ccc(F)c(Cl)c3)C2)o1 ZINC000375792549 337019698 /nfs/dbraw/zinc/01/96/98/337019698.db2.gz QOPQLUSYBIZMBP-HAQNSBGRSA-N 0 3 304.752 3.980 20 30 DHEDHN N#CCc1ccc(NC2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000376295140 337030734 /nfs/dbraw/zinc/03/07/34/337030734.db2.gz FYNKGNXQOUQUDO-UHFFFAOYSA-N 0 3 323.415 3.968 20 30 DHEDHN N#CC1(c2ccccn2)CCN(CCCCc2ccccc2)CC1 ZINC000376597044 337037669 /nfs/dbraw/zinc/03/76/69/337037669.db2.gz YDDBNCCUHZCAIM-UHFFFAOYSA-N 0 3 319.452 3.962 20 30 DHEDHN CC(C)CN(Cc1cc(C#N)n(C)c1)[C@H]1CCCc2cccnc21 ZINC000376651123 337039200 /nfs/dbraw/zinc/03/92/00/337039200.db2.gz JRNBMLQRKJWKHK-IBGZPJMESA-N 0 3 322.456 3.827 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000376957588 337044097 /nfs/dbraw/zinc/04/40/97/337044097.db2.gz XGWMMXHQBUWBRG-IEBWSBKVSA-N 0 3 314.473 3.617 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000376957587 337044120 /nfs/dbraw/zinc/04/41/20/337044120.db2.gz XGWMMXHQBUWBRG-HKUYNNGSSA-N 0 3 314.473 3.617 20 30 DHEDHN C[C@@H](CNCc1ccc(C#N)s1)c1nc(-c2ccccc2)no1 ZINC000123370144 337045323 /nfs/dbraw/zinc/04/53/23/337045323.db2.gz CCDXIWJACDIPIP-LBPRGKRZSA-N 0 3 324.409 3.563 20 30 DHEDHN C[C@H](CNCc1ccc(C#N)s1)c1nc(-c2ccccc2)no1 ZINC000123370371 337045330 /nfs/dbraw/zinc/04/53/30/337045330.db2.gz CCDXIWJACDIPIP-GFCCVEGCSA-N 0 3 324.409 3.563 20 30 DHEDHN Cc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)C2 ZINC000377737798 337059937 /nfs/dbraw/zinc/05/99/37/337059937.db2.gz DICTUBMSTGHNGX-YJBOKZPZSA-N 0 3 322.408 3.552 20 30 DHEDHN CN1CCC[C@@H](CNc2cccnc2C#N)[C@H]1c1cccs1 ZINC000378062142 337065745 /nfs/dbraw/zinc/06/57/45/337065745.db2.gz SLTFLNDTIHQORP-GUYCJALGSA-N 0 3 312.442 3.510 20 30 DHEDHN CCOCc1ccccc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000193892232 337079859 /nfs/dbraw/zinc/07/98/59/337079859.db2.gz CEYHPOZWPDHOGH-INIZCTEOSA-N 0 3 324.424 3.976 20 30 DHEDHN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NCc1ccc(C#N)s1 ZINC000582510236 337099565 /nfs/dbraw/zinc/09/95/65/337099565.db2.gz PBCFVMUUEYZKPI-DLBZAZTESA-N 0 3 312.438 3.955 20 30 DHEDHN C=CCCCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000175513672 337147716 /nfs/dbraw/zinc/14/77/16/337147716.db2.gz CFNQPENFOOTJSD-UHFFFAOYSA-N 0 3 314.473 3.510 20 30 DHEDHN Cc1sc(NC(=O)CN(C)[C@@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000177017625 337152769 /nfs/dbraw/zinc/15/27/69/337152769.db2.gz BPIHBASDWVXBKE-XHDPSFHLSA-N 0 3 319.474 3.686 20 30 DHEDHN C#CCOc1ccc([C@@H](C)NCc2ccc([C@@H](C)O)cc2)cc1 ZINC000178548056 337163180 /nfs/dbraw/zinc/16/31/80/337163180.db2.gz YEXFSZPJGRYLBW-HZPDHXFCSA-N 0 3 309.409 3.603 20 30 DHEDHN C=CCC[C@H](NCc1cccc(C(=O)NC)c1)c1ccccc1 ZINC000178757850 337164834 /nfs/dbraw/zinc/16/48/34/337164834.db2.gz VMXRDFPIGWNTLQ-IBGZPJMESA-N 0 3 308.425 3.843 20 30 DHEDHN N#CCCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180429822 337174590 /nfs/dbraw/zinc/17/45/90/337174590.db2.gz MYGJLVBCXDYUMH-SFHVURJKSA-N 0 3 309.369 3.968 20 30 DHEDHN C=C(C)CN(C)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000181052781 337179609 /nfs/dbraw/zinc/17/96/09/337179609.db2.gz YMWDFJISXIYVBL-UHFFFAOYSA-N 0 3 312.413 3.677 20 30 DHEDHN CC[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1OC ZINC000181156610 337182058 /nfs/dbraw/zinc/18/20/58/337182058.db2.gz SXNMQTLNIZTULE-SFHVURJKSA-N 0 3 310.397 3.687 20 30 DHEDHN C[C@@H](NCc1ccccc1-n1ccnc1)c1cccc(C#N)c1 ZINC000181569003 337183056 /nfs/dbraw/zinc/18/30/56/337183056.db2.gz UJXUMNLDAOBSJS-OAHLLOKOSA-N 0 3 302.381 3.595 20 30 DHEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000185589980 337249345 /nfs/dbraw/zinc/24/93/45/337249345.db2.gz GBEBMDCRWLQETF-YJBOKZPZSA-N 0 3 323.440 3.858 20 30 DHEDHN C=CCSCCNCc1cc(-c2ccncc2)ccc1OC ZINC000187209149 337263995 /nfs/dbraw/zinc/26/39/95/337263995.db2.gz ZNLVCFAVJNUBPJ-UHFFFAOYSA-N 0 3 314.454 3.766 20 30 DHEDHN N#Cc1ccc(OCCCN2CCC(c3ccncc3)CC2)cc1 ZINC000191605224 337297788 /nfs/dbraw/zinc/29/77/88/337297788.db2.gz GWKCOIZNGNSUBO-UHFFFAOYSA-N 0 3 321.424 3.602 20 30 DHEDHN CSc1ccc(OCCN2CCC(CCC#N)CC2)cc1 ZINC000584408247 337320482 /nfs/dbraw/zinc/32/04/82/337320482.db2.gz APABOCRNOZCNIS-UHFFFAOYSA-N 0 3 304.459 3.803 20 30 DHEDHN C[C@]1(NCc2cnc3ccc(C#N)cn23)CCCc2ccccc21 ZINC000583827346 337337349 /nfs/dbraw/zinc/33/73/49/337337349.db2.gz BIROYKMHABATLB-FQEVSTJZSA-N 0 3 316.408 3.547 20 30 DHEDHN Cc1nc(C)c(CCNC2CC(C#N)(c3ccccc3)C2)s1 ZINC000126828893 337417883 /nfs/dbraw/zinc/41/78/83/337417883.db2.gz DHAKINWIEGHISP-UHFFFAOYSA-N 0 3 311.454 3.516 20 30 DHEDHN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000421339228 337527271 /nfs/dbraw/zinc/52/72/71/337527271.db2.gz FVBBMKYWMZOTEM-KZULUSFZSA-N 0 3 316.351 3.702 20 30 DHEDHN CCOc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H](C#N)C1)CCO2 ZINC000248999643 337569216 /nfs/dbraw/zinc/56/92/16/337569216.db2.gz QCRDKTKKDNTOTE-JKIFEVAISA-N 0 3 300.402 3.581 20 30 DHEDHN Cn1cc(-c2ccc(CN3CCC(CCC#N)CC3)s2)cn1 ZINC000571802917 337577507 /nfs/dbraw/zinc/57/75/07/337577507.db2.gz OFKJUAOXUCBFGU-UHFFFAOYSA-N 0 3 314.458 3.664 20 30 DHEDHN CCN(CC)[C@@H](CNc1ccc(C#N)cc1F)c1ccco1 ZINC000078612984 337602940 /nfs/dbraw/zinc/60/29/40/337602940.db2.gz WGPTXBPDQPABDI-INIZCTEOSA-N 0 3 301.365 3.785 20 30 DHEDHN C[C@H](NCc1cccc2c1CCCN2)c1ccc(C#N)c(F)c1 ZINC000423409243 337716076 /nfs/dbraw/zinc/71/60/76/337716076.db2.gz BLIZKWXEQOFVQC-ZDUSSCGKSA-N 0 3 309.388 3.906 20 30 DHEDHN CC[C@@H](NCc1ccc2cn(C)nc2c1)c1ccc(C#N)cc1 ZINC000527960899 337780111 /nfs/dbraw/zinc/78/01/11/337780111.db2.gz FJFJWPWLFFDCEZ-GOSISDBHSA-N 0 3 304.397 3.686 20 30 DHEDHN N#CCCC[C@H](N)C(=O)NCC1(C2CCCCC2)CCCCC1 ZINC000424166842 337789596 /nfs/dbraw/zinc/78/95/96/337789596.db2.gz BOSWFTZVDUQQJB-KRWDZBQOSA-N 0 3 319.493 3.655 20 30 DHEDHN C=CCn1cc(CN[C@H]2CCCC[C@@H](c3ccccc3)C2)nn1 ZINC000424171005 337791591 /nfs/dbraw/zinc/79/15/91/337791591.db2.gz KZXLSTIQAJCEET-MSOLQXFVSA-N 0 3 310.445 3.670 20 30 DHEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000424193239 337805626 /nfs/dbraw/zinc/80/56/26/337805626.db2.gz KFJLGLQIFXEKHJ-GXTWGEPZSA-N 0 3 311.341 3.637 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000516301090 338010190 /nfs/dbraw/zinc/01/01/90/338010190.db2.gz JMLKVQDSMVYVJP-HOCLYGCPSA-N 0 3 322.880 3.704 20 30 DHEDHN COc1ccc(CN(C)[C@@H]2CC2(C)C)cc1OCCCC#N ZINC000426578336 338034990 /nfs/dbraw/zinc/03/49/90/338034990.db2.gz HNQMRFSBVSPOMK-QGZVFWFLSA-N 0 3 302.418 3.608 20 30 DHEDHN C=CCC[C@@H](C)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000428990992 338067951 /nfs/dbraw/zinc/06/79/51/338067951.db2.gz JECISYWHEYNDRY-QMTHXVAHSA-N 0 3 316.214 3.566 20 30 DHEDHN CC(C)(CO)[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000429708477 338088099 /nfs/dbraw/zinc/08/80/99/338088099.db2.gz KFYJPCNWLZNRFK-GOSISDBHSA-N 0 3 312.388 3.547 20 30 DHEDHN C=CCC(C)(C)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000429800002 338090114 /nfs/dbraw/zinc/09/01/14/338090114.db2.gz HKLPSQPWZAFSQK-SFHVURJKSA-N 0 3 314.473 3.850 20 30 DHEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000429895551 338091685 /nfs/dbraw/zinc/09/16/85/338091685.db2.gz LWPIAKMUTQLWFB-RDJZCZTQSA-N 0 3 300.446 3.540 20 30 DHEDHN CNC(=O)c1cccc(CN[C@H](CCCC#N)c2ccccc2)c1 ZINC000433037161 338177697 /nfs/dbraw/zinc/17/76/97/338177697.db2.gz CUYCRCZOQTYWBU-LJQANCHMSA-N 0 3 321.424 3.571 20 30 DHEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2ccccc2)C1 ZINC000433072728 338180201 /nfs/dbraw/zinc/18/02/01/338180201.db2.gz PSBMCTDGSBUBFX-GOSISDBHSA-N 0 3 306.409 3.946 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)NCCSc1ccccc1 ZINC000433143458 338182915 /nfs/dbraw/zinc/18/29/15/338182915.db2.gz ZCZBMAIUFRVRTI-KRWDZBQOSA-N 0 3 324.449 3.667 20 30 DHEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000433299450 338190345 /nfs/dbraw/zinc/19/03/45/338190345.db2.gz BTVBTWKODIRVTE-WOJBJXKFSA-N 0 3 318.420 3.775 20 30 DHEDHN N#CCc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000433301351 338190489 /nfs/dbraw/zinc/19/04/89/338190489.db2.gz VGFFFTIIRNYEAT-FQEVSTJZSA-N 0 3 320.436 3.746 20 30 DHEDHN C[C@@H](Cc1ccccc1F)NC(=O)C(C#N)CCc1ccccc1 ZINC000433306838 338190750 /nfs/dbraw/zinc/19/07/50/338190750.db2.gz SHQPBPMTSAFALZ-YJBOKZPZSA-N 0 3 324.399 3.645 20 30 DHEDHN CN(CCc1ccc(F)cc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433309052 338191103 /nfs/dbraw/zinc/19/11/03/338191103.db2.gz WLLQYYVGXUYWAN-GOSISDBHSA-N 0 3 324.399 3.599 20 30 DHEDHN CC(C)CN(CC(C)C)C(=O)C(C#N)CCc1ccccc1 ZINC000433366506 338193897 /nfs/dbraw/zinc/19/38/97/338193897.db2.gz ZIKRFIOITFOANE-GOSISDBHSA-N 0 3 300.446 3.900 20 30 DHEDHN CCOC(=O)CC1(NCC#Cc2ccc(Cl)cc2)CCCC1 ZINC000434621182 338221209 /nfs/dbraw/zinc/22/12/09/338221209.db2.gz QBVUNCFTTUQLRU-UHFFFAOYSA-N 0 3 319.832 3.547 20 30 DHEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2ccc(F)cc2s1 ZINC000435732960 338246775 /nfs/dbraw/zinc/24/67/75/338246775.db2.gz SMYOULSLRXCMBH-BZNIZROVSA-N 0 3 306.406 3.506 20 30 DHEDHN Cc1cc([C@H]2CCCN2C(=O)C(C)C#N)ccc1Br ZINC000435973790 338254724 /nfs/dbraw/zinc/25/47/24/338254724.db2.gz GKRMTCASQQKVMD-BXUZGUMPSA-N 0 3 321.218 3.581 20 30 DHEDHN C[C@H](NC[C@@H]1Cc2ccccc2N(C)C1)c1ccc(C#N)cc1F ZINC000437081246 338299786 /nfs/dbraw/zinc/29/97/86/338299786.db2.gz YFDACTJXWUZHPW-HOCLYGCPSA-N 0 3 323.415 3.657 20 30 DHEDHN COC1CCC(N(C)Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437881657 338324060 /nfs/dbraw/zinc/32/40/60/338324060.db2.gz MHNAZCUENIGSIE-UHFFFAOYSA-N 0 3 324.371 3.549 20 30 DHEDHN C=CC(C)(C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000448607843 338350999 /nfs/dbraw/zinc/35/09/99/338350999.db2.gz PWKQBUOAEHNJKG-UHFFFAOYSA-N 0 3 300.446 3.501 20 30 DHEDHN C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000439121642 338361655 /nfs/dbraw/zinc/36/16/55/338361655.db2.gz WIAUBCXIXWRYJN-FZKQIMNGSA-N 0 3 324.384 3.570 20 30 DHEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2n2cccn2)c(Cl)c1 ZINC000439442257 338369680 /nfs/dbraw/zinc/36/96/80/338369680.db2.gz SDUUDKYXTRUMCN-DLBZAZTESA-N 0 3 314.820 3.682 20 30 DHEDHN COCC[C@H]1CCCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439456689 338370054 /nfs/dbraw/zinc/37/00/54/338370054.db2.gz ZFEOMCZQMSWCCN-CQSZACIVSA-N 0 3 306.837 3.850 20 30 DHEDHN COc1cc(CN[C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)ccc1C#N ZINC000440624899 338392867 /nfs/dbraw/zinc/39/28/67/338392867.db2.gz JPTOJIQZASRMBB-MNVSYLFESA-N 0 3 322.408 3.610 20 30 DHEDHN C=CCC1(C(=O)NCc2cccc(CN(C)C)c2)CCCCC1 ZINC000448642432 338395022 /nfs/dbraw/zinc/39/50/22/338395022.db2.gz PUYXTVLWHVONSP-UHFFFAOYSA-N 0 3 314.473 3.891 20 30 DHEDHN Clc1cccc(C#CCN2CCN(C3CCCCC3)CC2)c1 ZINC000157198971 338416026 /nfs/dbraw/zinc/41/60/26/338416026.db2.gz VIWGMLJVTNWPOR-UHFFFAOYSA-N 0 3 316.876 3.642 20 30 DHEDHN COc1cccc(Oc2ccc(CN[C@@H]3CC[C@H](C#N)C3)cn2)c1 ZINC000442713447 338428835 /nfs/dbraw/zinc/42/88/35/338428835.db2.gz WQROXCGYEKODSC-GOEBONIOSA-N 0 3 323.396 3.664 20 30 DHEDHN CC[C@@H](NCc1ccc(N2CCCC2)nc1)c1ccc(C#N)cc1 ZINC000447535338 338555004 /nfs/dbraw/zinc/55/50/04/338555004.db2.gz FHEMPYGAHHCTIL-LJQANCHMSA-N 0 3 320.440 3.794 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Br)ccc1Cl ZINC000449518230 338633811 /nfs/dbraw/zinc/63/38/11/338633811.db2.gz ISSHEFMRYWFJQE-OLZOCXBDSA-N 0 3 316.626 3.536 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000449524160 338634333 /nfs/dbraw/zinc/63/43/33/338634333.db2.gz ZEZFANOOBSARDL-OLZOCXBDSA-N 0 3 305.727 3.792 20 30 DHEDHN C=C(CC)CNCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000449730695 338648287 /nfs/dbraw/zinc/64/82/87/338648287.db2.gz GETANIZCOCOYGZ-UHFFFAOYSA-N 0 3 312.413 3.725 20 30 DHEDHN N#CCc1ccc(CN2CCC(F)(c3ccccn3)CC2)cc1 ZINC000450927737 338712691 /nfs/dbraw/zinc/71/26/91/338712691.db2.gz CXTMXXOOYUVBOD-UHFFFAOYSA-N 0 3 309.388 3.608 20 30 DHEDHN CCC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC000451442253 338734885 /nfs/dbraw/zinc/73/48/85/338734885.db2.gz UZIQEOVEPATRAY-OAHLLOKOSA-N 0 3 312.417 3.913 20 30 DHEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(Br)cs1 ZINC000453374126 338833981 /nfs/dbraw/zinc/83/39/81/338833981.db2.gz WTTYQISBCUVHDN-GDPRMGEGSA-N 0 3 302.237 3.505 20 30 DHEDHN CCOc1cc(C[NH2+]CC2CCC(C#N)CC2)cc(Cl)c1[O-] ZINC000459516114 339033685 /nfs/dbraw/zinc/03/36/85/339033685.db2.gz AWWDKNCSNFAZDX-UHFFFAOYSA-N 0 3 322.836 3.864 20 30 DHEDHN CCOC[C@@H]1CCCCN1Cc1cccc(OCCCC#N)c1 ZINC000459681455 339042885 /nfs/dbraw/zinc/04/28/85/339042885.db2.gz XCZMVWHFGAWTQM-SFHVURJKSA-N 0 3 316.445 3.760 20 30 DHEDHN CC(C)(CC#N)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000459704088 339043621 /nfs/dbraw/zinc/04/36/21/339043621.db2.gz WXRUCFXVBBSDDN-UHFFFAOYSA-N 0 3 313.357 3.884 20 30 DHEDHN CCOC[C@H]1CCCCN1Cc1ccccc1C(C)(C)C#N ZINC000459716882 339044112 /nfs/dbraw/zinc/04/41/12/339044112.db2.gz QCNVLJGLRATHAF-QGZVFWFLSA-N 0 3 300.446 3.879 20 30 DHEDHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459768983 339047355 /nfs/dbraw/zinc/04/73/55/339047355.db2.gz GCQQRYQDSRPMQH-QLFBSQMISA-N 0 3 316.470 3.681 20 30 DHEDHN C[C@@H](CN(C)[C@@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000459810135 339049549 /nfs/dbraw/zinc/04/95/49/339049549.db2.gz PWGXDRWHXSBHAO-KBPBESRZSA-N 0 3 302.418 3.529 20 30 DHEDHN CC[C@H]1CN(c2ccccc2)CCN1Cc1ccc(C#N)cc1 ZINC000461367339 339062567 /nfs/dbraw/zinc/06/25/67/339062567.db2.gz BVRAUIDYDCMSHC-IBGZPJMESA-N 0 3 305.425 3.659 20 30 DHEDHN Cc1nc(N[C@@H]2CCN(CC3CCCC3)C2)c(Cl)cc1C#N ZINC000461944494 339069373 /nfs/dbraw/zinc/06/93/73/339069373.db2.gz ATZFOQDYZDXHKP-OAHLLOKOSA-N 0 3 318.852 3.592 20 30 DHEDHN CC(C)O[C@@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000462847415 339094101 /nfs/dbraw/zinc/09/41/01/339094101.db2.gz XDFFLBQDOHQXLQ-OAUYIBNBSA-N 0 3 304.409 3.940 20 30 DHEDHN CC(C)O[C@@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1(C)C ZINC000462847412 339094154 /nfs/dbraw/zinc/09/41/54/339094154.db2.gz XDFFLBQDOHQXLQ-AFAVFJNCSA-N 0 3 304.409 3.940 20 30 DHEDHN Cc1cc(CCNCc2ccc(C#N)cc2F)ccc1Cl ZINC000462911933 339097660 /nfs/dbraw/zinc/09/76/60/339097660.db2.gz LLTMPADOBOSZSF-UHFFFAOYSA-N 0 3 302.780 3.992 20 30 DHEDHN CCN(Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCOC1 ZINC000463447784 339118184 /nfs/dbraw/zinc/11/81/84/339118184.db2.gz ZSNIHMVMZNXOLI-LJQANCHMSA-N 0 3 306.409 3.836 20 30 DHEDHN CC(C)O[C@@H]1C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1(C)C ZINC000463565535 339121560 /nfs/dbraw/zinc/12/15/60/339121560.db2.gz UUUVKBINXKCDAH-CSMYWGQOSA-N 0 3 304.409 3.940 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000464552232 339144997 /nfs/dbraw/zinc/14/49/97/339144997.db2.gz SQQJOIWCVPVQIG-QGZVFWFLSA-N 0 3 314.473 3.891 20 30 DHEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000464649743 339147855 /nfs/dbraw/zinc/14/78/55/339147855.db2.gz QDNKZKXHULDBAE-PKOBYXMFSA-N 0 3 314.473 3.850 20 30 DHEDHN N#Cc1cccc(CCNCc2ccccc2OC(F)(F)F)c1 ZINC000466421557 339203993 /nfs/dbraw/zinc/20/39/93/339203993.db2.gz FMKOCXFZLTUJSQ-UHFFFAOYSA-N 0 3 320.314 3.789 20 30 DHEDHN C=CCCN(C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000467292943 339230170 /nfs/dbraw/zinc/23/01/70/339230170.db2.gz GRUBERUUZASVTJ-UHFFFAOYSA-N 0 3 300.377 3.808 20 30 DHEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000467329867 339231791 /nfs/dbraw/zinc/23/17/91/339231791.db2.gz DYWFYMRGDNOMHM-QFBILLFUSA-N 0 3 312.457 3.707 20 30 DHEDHN N#Cc1cc(CN2CC[C@H](Cc3ccc(F)cc3)C2)ccc1F ZINC000468273008 339258378 /nfs/dbraw/zinc/25/83/78/339258378.db2.gz ZSNCFANDHCRZNM-MRXNPFEDSA-N 0 3 312.363 3.901 20 30 DHEDHN C=C[C@H](CC(=O)NC[C@H]1N(C)CCCC1(C)C)c1ccccc1 ZINC000468480247 339263744 /nfs/dbraw/zinc/26/37/44/339263744.db2.gz UCFLCIATPUUSAG-SJLPKXTDSA-N 0 3 314.473 3.583 20 30 DHEDHN C=CCOCCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000470764590 339327194 /nfs/dbraw/zinc/32/71/94/339327194.db2.gz HPSWMAZCDYTFLN-MRXNPFEDSA-N 0 3 300.402 3.948 20 30 DHEDHN C=CCOCCCN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000470776455 339327616 /nfs/dbraw/zinc/32/76/16/339327616.db2.gz IGDIDXSHUALUJI-INIZCTEOSA-N 0 3 322.880 3.611 20 30 DHEDHN C[C@@H](CC1CCCCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471164075 339339183 /nfs/dbraw/zinc/33/91/83/339339183.db2.gz DLEZDBZEKQVDPN-KXBFYZLASA-N 0 3 323.440 3.716 20 30 DHEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(Br)cc1 ZINC000472581110 339374217 /nfs/dbraw/zinc/37/42/17/339374217.db2.gz MEAGTRNLVJTDOQ-CVEARBPZSA-N 0 3 324.262 3.913 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cccc(F)c1)C(C)C ZINC000503441397 339372392 /nfs/dbraw/zinc/37/23/92/339372392.db2.gz WZZRSLADTNMYGD-QGZVFWFLSA-N 0 3 319.424 3.646 20 30 DHEDHN C=CCC[C@H](O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000472767207 339377248 /nfs/dbraw/zinc/37/72/48/339377248.db2.gz HHLLLIHQPNEPFM-LBPRGKRZSA-N 0 3 300.229 3.899 20 30 DHEDHN C=CCOc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000473117609 339381282 /nfs/dbraw/zinc/38/12/82/339381282.db2.gz HDJZSJBZPJWXRQ-NRFANRHFSA-N 0 3 321.420 3.883 20 30 DHEDHN CCCOc1ccc(C(C)(C)NCc2cc(C#N)n(C)c2)cc1 ZINC000475676230 339459413 /nfs/dbraw/zinc/45/94/13/339459413.db2.gz PRGOUSFGWRYCEK-UHFFFAOYSA-N 0 3 311.429 3.710 20 30 DHEDHN C[C@H](NC[C@](C)(O)C1CCCCC1)c1ccc(C#N)cc1F ZINC000477869488 339503531 /nfs/dbraw/zinc/50/35/31/339503531.db2.gz ZPRZHLLJZQLHSL-UGSOOPFHSA-N 0 3 304.409 3.679 20 30 DHEDHN N#Cc1ccc(Br)c(CN2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000492627714 339905665 /nfs/dbraw/zinc/90/56/65/339905665.db2.gz DRICNGAKEPKRKY-KBPBESRZSA-N 0 3 319.246 3.943 20 30 DHEDHN C=CCN1CC[C@H](N[C@@H](c2ccccc2)C(CC)CC)C1=O ZINC000499598639 340040251 /nfs/dbraw/zinc/04/02/51/340040251.db2.gz ACCOHIPMCPKOHA-ZWKOTPCHSA-N 0 3 300.446 3.540 20 30 DHEDHN C=CCN1CC[C@H](N[C@H](c2ccc(Cl)cc2)[C@H](C)CC)C1=O ZINC000499608215 340040822 /nfs/dbraw/zinc/04/08/22/340040822.db2.gz UQGGSWAVSAQZAB-COXVUDFISA-N 0 3 320.864 3.804 20 30 DHEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000501245365 340076977 /nfs/dbraw/zinc/07/69/77/340076977.db2.gz XORODZBBCKABCT-INIZCTEOSA-N 0 3 310.372 3.695 20 30 DHEDHN C[C@@H]1CN(CCCC(C)(C)C#N)[C@@H](C)CN1Cc1ccccc1 ZINC000501779310 340088532 /nfs/dbraw/zinc/08/85/32/340088532.db2.gz VYVIBORJNYUOBF-ZWKOTPCHSA-N 0 3 313.489 3.911 20 30 DHEDHN COc1cccc(CN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502517700 340106730 /nfs/dbraw/zinc/10/67/30/340106730.db2.gz RZIGUWIGDHZTRL-UHFFFAOYSA-N 0 3 304.393 3.856 20 30 DHEDHN C=CCCc1ccccc1NC(=O)NC1CCN(CC=C)CC1 ZINC000505024019 340159127 /nfs/dbraw/zinc/15/91/27/340159127.db2.gz QBDDNJDCZJAIJQ-UHFFFAOYSA-N 0 3 313.445 3.577 20 30 DHEDHN CN(CCC1CCCCC1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000507648912 340227163 /nfs/dbraw/zinc/22/71/63/340227163.db2.gz FDGDWQDNLDXWEV-UHFFFAOYSA-N 0 3 319.493 3.573 20 30 DHEDHN C[C@H](NCc1ccc2c(c1)OC(F)(F)O2)c1ccc(C#N)cc1 ZINC000508969942 340256570 /nfs/dbraw/zinc/25/65/70/340256570.db2.gz ZQJJEKIVFDQCLN-NSHDSACASA-N 0 3 316.307 3.731 20 30 DHEDHN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc(C#N)c(C)c1 ZINC000509429555 340269288 /nfs/dbraw/zinc/26/92/88/340269288.db2.gz IMCFRZIZALOQBM-SFHVURJKSA-N 0 3 310.372 3.792 20 30 DHEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000303002834 340294725 /nfs/dbraw/zinc/29/47/25/340294725.db2.gz NEWFYRCVWJEGOJ-SFHVURJKSA-N 0 3 300.446 3.564 20 30 DHEDHN C=CCC1(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CCC1 ZINC000510544629 340302330 /nfs/dbraw/zinc/30/23/30/340302330.db2.gz DZGOVAWGOYSPBA-SJLPKXTDSA-N 0 3 314.473 3.849 20 30 DHEDHN C=CCC1(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)CCC1 ZINC000510544628 340302339 /nfs/dbraw/zinc/30/23/39/340302339.db2.gz DZGOVAWGOYSPBA-FUHWJXTLSA-N 0 3 314.473 3.849 20 30 DHEDHN C=C(C)CCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510625516 340304264 /nfs/dbraw/zinc/30/42/64/340304264.db2.gz WEYRYSAUXDUYIN-LJQANCHMSA-N 0 3 314.473 3.556 20 30 DHEDHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccc(C#N)cc1F ZINC000512642479 340370668 /nfs/dbraw/zinc/37/06/68/340370668.db2.gz QCCXWFKBDYPCRA-HYEYJGRESA-N 0 3 302.393 3.552 20 30 DHEDHN N#Cc1ccccc1CSCCNCc1cc(F)ccc1F ZINC000512843400 340380408 /nfs/dbraw/zinc/38/04/08/340380408.db2.gz CNWWPPMWZWGDLG-UHFFFAOYSA-N 0 3 318.392 3.859 20 30 DHEDHN C[C@H](NCC1(CCO)CCCCC1)c1ccc(C#N)cc1F ZINC000305810805 340389559 /nfs/dbraw/zinc/38/95/59/340389559.db2.gz JAQZAHSVOSLXPD-AWEZNQCLSA-N 0 3 304.409 3.681 20 30 DHEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCc1cccc(C#N)c1 ZINC000513077961 340392387 /nfs/dbraw/zinc/39/23/87/340392387.db2.gz WFFZLISEYKYQHM-QHAWAJNXSA-N 0 3 320.436 3.999 20 30 DHEDHN C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000177471346 340440728 /nfs/dbraw/zinc/44/07/28/340440728.db2.gz HIXVWFOPWJYQBU-PMPSAXMXSA-N 0 3 321.424 3.667 20 30 DHEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000185041303 340497510 /nfs/dbraw/zinc/49/75/10/340497510.db2.gz CAPCYOLLVOIPGV-SJLPKXTDSA-N 0 3 300.446 3.542 20 30 DHEDHN Clc1ccc([C@@H]2OCC[C@H]2NCC#Cc2ccccc2)cc1 ZINC000192022155 340560940 /nfs/dbraw/zinc/56/09/40/340560940.db2.gz DOYHCIZGTAQWLG-MOPGFXCFSA-N 0 3 311.812 3.811 20 30 DHEDHN CCC[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000193629566 340580545 /nfs/dbraw/zinc/58/05/45/340580545.db2.gz CLQQQSIAWGETII-SFHVURJKSA-N 0 3 307.397 3.628 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)c1cccs1)C(C)C ZINC000523140337 340616609 /nfs/dbraw/zinc/61/66/09/340616609.db2.gz LFJNQZCSBXQBQL-HZPDHXFCSA-N 0 3 320.502 3.666 20 30 DHEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[C@@H](C)C1)C(C)C ZINC000525060311 340688627 /nfs/dbraw/zinc/68/86/27/340688627.db2.gz SMUWYFPLJPFBCL-FGTMMUONSA-N 0 3 306.494 3.628 20 30 DHEDHN COCCC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000529637642 340765959 /nfs/dbraw/zinc/76/59/59/340765959.db2.gz IGJGUASWYOKUIK-UHFFFAOYSA-N 0 3 316.445 3.618 20 30 DHEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)N1CCc2ccccc21 ZINC000539609033 340892477 /nfs/dbraw/zinc/89/24/77/340892477.db2.gz BIQFWSFMWZFEDF-CABCVRRESA-N 0 3 323.415 3.799 20 30 DHEDHN Clc1cccc(C#CCN[C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000128597901 340899579 /nfs/dbraw/zinc/89/95/79/340899579.db2.gz TUBRJZBOANNASF-MSOLQXFVSA-N 0 3 313.832 3.662 20 30 DHEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542317993 341004524 /nfs/dbraw/zinc/00/45/24/341004524.db2.gz PKNMMZSUICZTQF-GOSISDBHSA-N 0 3 306.409 3.865 20 30 DHEDHN C=CCC[C@H](C)NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000543600948 341050592 /nfs/dbraw/zinc/05/05/92/341050592.db2.gz DRNRNNKFYJJKLA-HNNXBMFYSA-N 0 3 323.502 3.702 20 30 DHEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H]1c1ccccc1 ZINC000544699194 341091455 /nfs/dbraw/zinc/09/14/55/341091455.db2.gz XWNCWZGDYCMIEE-WOJBJXKFSA-N 0 3 323.436 3.602 20 30 DHEDHN Cc1cccc(C)c1[C@H](C)N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000545519877 341128423 /nfs/dbraw/zinc/12/84/23/341128423.db2.gz ZUVLGTVFRVZOMO-JKSUJKDBSA-N 0 3 321.424 3.853 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C)[C@@H]2CCC)CC1 ZINC000074130007 341129451 /nfs/dbraw/zinc/12/94/51/341129451.db2.gz GIYOXCFFFZPATM-AEFFLSMTSA-N 0 3 321.509 3.637 20 30 DHEDHN C=C(C)COCCN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000133587894 341179257 /nfs/dbraw/zinc/17/92/57/341179257.db2.gz KFQDEBMKWHBHPI-AWEZNQCLSA-N 0 3 314.351 3.660 20 30 DHEDHN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1(C)C ZINC000546973578 341189353 /nfs/dbraw/zinc/18/93/53/341189353.db2.gz YPZZCZKUACKEBW-HNNXBMFYSA-N 0 3 322.456 3.827 20 30 DHEDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1ccc(F)c(C#N)c1 ZINC000134245393 341210611 /nfs/dbraw/zinc/21/06/11/341210611.db2.gz RSNKAQKKWYAGOQ-BFUOFWGJSA-N 0 3 310.372 3.521 20 30 DHEDHN C[C@H](CNCc1cccc(C#N)c1)Oc1ccc(Cl)cc1 ZINC000237547752 341215707 /nfs/dbraw/zinc/21/57/07/341215707.db2.gz QRBULWYFFNXYKW-CYBMUJFWSA-N 0 3 300.789 3.769 20 30 DHEDHN C=C(C)COCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000134506339 341216585 /nfs/dbraw/zinc/21/65/85/341216585.db2.gz KFFSLTQZRQYWJB-UHFFFAOYSA-N 0 3 316.357 3.537 20 30 DHEDHN CCCCN1CCCC[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000078650292 341245697 /nfs/dbraw/zinc/24/56/97/341245697.db2.gz TWPMTVQLXQVUBP-CQSZACIVSA-N 0 3 306.841 3.673 20 30 DHEDHN Cc1ccc(C(=O)C(C#N)c2ccccn2)cc1Br ZINC000080255823 341271600 /nfs/dbraw/zinc/27/16/00/341271600.db2.gz HYQSOOSHSYYNJS-LBPRGKRZSA-N 0 3 315.170 3.643 20 30 DHEDHN Cc1cccc(C)c1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000548792600 341275892 /nfs/dbraw/zinc/27/58/92/341275892.db2.gz JJWSEDXUGAOZQO-UHFFFAOYSA-N 0 3 305.425 3.756 20 30 DHEDHN CC1=C(c2ccco2)CN(CCOc2cccc(C#N)c2)CC1 ZINC000548930607 341281294 /nfs/dbraw/zinc/28/12/94/341281294.db2.gz SSRYYOFKWOHAGS-UHFFFAOYSA-N 0 3 308.381 3.709 20 30 DHEDHN CC1=C(c2ccco2)CN(CCOc2ccccc2C#N)CC1 ZINC000549159893 341287488 /nfs/dbraw/zinc/28/74/88/341287488.db2.gz ULEQOFYWOIJCIM-UHFFFAOYSA-N 0 3 308.381 3.709 20 30 DHEDHN CC(C)c1ccc(OC2CCN(CCOCCC#N)CC2)cc1 ZINC000549367425 341292527 /nfs/dbraw/zinc/29/25/27/341292527.db2.gz UYLXWXOUJQDCNG-UHFFFAOYSA-N 0 3 316.445 3.583 20 30 DHEDHN CCC[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000549929484 341307157 /nfs/dbraw/zinc/30/71/57/341307157.db2.gz COICWOYMCSAAHM-SLFFLAALSA-N 0 3 311.473 3.665 20 30 DHEDHN C=CCC[C@@H](NCCN1CCc2sccc2C1)c1ccco1 ZINC000552046702 341364892 /nfs/dbraw/zinc/36/48/92/341364892.db2.gz ORKQOORLPNQREK-MRXNPFEDSA-N 0 3 316.470 3.996 20 30 DHEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC#Cc1ccccc1 ZINC000552057433 341365795 /nfs/dbraw/zinc/36/57/95/341365795.db2.gz ULUBVVCGZGVSRK-YPAWHYETSA-N 0 3 319.448 3.979 20 30 DHEDHN Cc1ccccc1C(C)(C)NCc1cnc2ccc(C#N)cn12 ZINC000552363602 341389113 /nfs/dbraw/zinc/38/91/13/341389113.db2.gz XYFWVQGWXAGNEI-UHFFFAOYSA-N 0 3 304.397 3.539 20 30 DHEDHN COc1ccc(CN[C@H]2CCSc3ccccc32)cc1C#N ZINC000266172223 341586625 /nfs/dbraw/zinc/58/66/25/341586625.db2.gz CTHOCHXIVXFADS-INIZCTEOSA-N 0 3 310.422 3.894 20 30 DHEDHN C=C(C)CN1CCC(NC(=O)NCC(CC)(CC)CC)CC1 ZINC000155595178 341610063 /nfs/dbraw/zinc/61/00/63/341610063.db2.gz LGMXZZHFZOHHJT-UHFFFAOYSA-N 0 3 309.498 3.543 20 30 DHEDHN COc1ccc(C2(N[C@H]3CCc4ccc(C#N)cc43)CC2)cc1 ZINC000574085888 341748056 /nfs/dbraw/zinc/74/80/56/341748056.db2.gz IFNVLFBEPUDIIG-IBGZPJMESA-N 0 3 304.393 3.833 20 30 DHEDHN C[C@@H](COc1cccc(F)c1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000576197759 341832583 /nfs/dbraw/zinc/83/25/83/341832583.db2.gz RADWIPRSYQZCPA-ORAYPTAESA-N 0 3 310.372 3.742 20 30 DHEDHN CCCCCN(CCCCC)Cc1cnc2c(C#N)cnn2c1 ZINC000576465925 341847715 /nfs/dbraw/zinc/84/77/15/341847715.db2.gz NXVNQLRMZLTUCY-UHFFFAOYSA-N 0 3 313.449 3.783 20 30 DHEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)C12CCCC2 ZINC000178792359 341965075 /nfs/dbraw/zinc/96/50/75/341965075.db2.gz HFOTZLZYNDRUBJ-DLBZAZTESA-N 0 3 302.393 3.525 20 30 DHEDHN CC(C)SCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000338321637 519787339 /nfs/dbraw/zinc/78/73/39/519787339.db2.gz UQEJDENIKCMBQK-UHFFFAOYSA-N 0 3 304.459 3.543 20 30 DHEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H](C)c1cccs1 ZINC000265872030 522042842 /nfs/dbraw/zinc/04/28/42/522042842.db2.gz VWVIVVCUENNEPU-ZDUSSCGKSA-N 0 3 316.426 3.700 20 30 DHEDHN CC[C@H](NCc1ccc(C#N)s1)c1ccc2c(c1)OCCO2 ZINC000176953131 522642930 /nfs/dbraw/zinc/64/29/30/522642930.db2.gz MSBOAGOCHXQUHC-HNNXBMFYSA-N 0 3 314.410 3.632 20 30 DHEDHN CO[C@H](CNCc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000267154077 523951116 /nfs/dbraw/zinc/95/11/16/523951116.db2.gz DAFOKWYIBWRQJB-OAHLLOKOSA-N 0 3 306.818 3.750 20 30 DHEDHN C[C@H](NC[C@H](c1cccc(F)c1)N(C)C)c1cccc(C#N)c1 ZINC000181388137 525411332 /nfs/dbraw/zinc/41/13/32/525411332.db2.gz QJUNCSYFQRCNIW-IFXJQAMLSA-N 0 3 311.404 3.651 20 30 DHEDHN C[C@@H](NC[C@@H](c1cccc(F)c1)N(C)C)c1ccc(C#N)cc1 ZINC000181388041 525477625 /nfs/dbraw/zinc/47/76/25/525477625.db2.gz HKSCEJZJRFSUTO-KUHUBIRLSA-N 0 3 311.404 3.651 20 30 DHEDHN C[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(C#N)cc1 ZINC000154348627 525529079 /nfs/dbraw/zinc/52/90/79/525529079.db2.gz FMDYKPGHIPEHMT-GJZGRUSLSA-N 0 3 317.396 3.551 20 30 DHEDHN Cc1ccc([C@@H](CN[C@H](C)c2ccc(C#N)cc2)N2CCCC2)o1 ZINC000181648562 525766551 /nfs/dbraw/zinc/76/65/51/525766551.db2.gz XTOUNUVRNXMUMF-VQIMIIECSA-N 0 3 323.440 3.947 20 30 DHEDHN N#Cc1ccc(CN2CC[C@H](COCc3ccccc3)C2)s1 ZINC000131187090 526617387 /nfs/dbraw/zinc/61/73/87/526617387.db2.gz XHBVLBQZORKJAQ-INIZCTEOSA-N 0 3 312.438 3.658 20 30 DHEDHN N#Cc1ccc(CNC2CCC(C(F)(F)F)CC2)c(F)c1 ZINC000161998855 526621788 /nfs/dbraw/zinc/62/17/88/526621788.db2.gz MWEBNEKQPBAABI-UHFFFAOYSA-N 0 3 300.299 3.908 20 30 DHEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000182124445 526624148 /nfs/dbraw/zinc/62/41/48/526624148.db2.gz WPUVFOPXJCNYLU-MSOLQXFVSA-N 0 3 312.800 3.831 20 30 DHEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c(C#N)c1C ZINC000119398244 526777970 /nfs/dbraw/zinc/77/79/70/526777970.db2.gz DARLEKKONRLFGR-XALPAYFRSA-N 0 3 317.433 3.509 20 30 DHEDHN