smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cnccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000180359404 529671904 /nfs/dbraw/zinc/67/19/04/529671904.db2.gz GTHJRLXZDCKJSQ-AWEZNQCLSA-N 0 3 304.353 3.021 10 30 DGEEHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCCO1 ZINC000127996912 530014738 /nfs/dbraw/zinc/01/47/38/530014738.db2.gz YLVKVZCJJCTEPQ-SFHVURJKSA-N 0 3 324.428 3.075 10 30 DGEEHN N#C[C@@H]1CC[C@H](N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)C1 ZINC000328740332 283058759 /nfs/dbraw/zinc/05/87/59/283058759.db2.gz IJCUXGKOTBIVHA-PWSUYJOCSA-N 0 3 312.339 3.300 10 30 DGEEHN N#Cc1cc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1F ZINC000281398197 283093378 /nfs/dbraw/zinc/09/33/78/283093378.db2.gz NHPQDODYGXHJOU-KBAYOESNSA-N 0 3 302.393 3.213 10 30 DGEEHN C=CCOc1ccc(CNC[C@@H](O)Cc2cccc(F)c2)cc1 ZINC000449366530 240158238 /nfs/dbraw/zinc/15/82/38/240158238.db2.gz WYBUIKGZQANPHD-SFHVURJKSA-N 0 3 315.388 3.084 10 30 DGEEHN C=C(C)COc1cc(CN[C@@H]2COCC2(C)C)ccc1OC ZINC000449622390 240322501 /nfs/dbraw/zinc/32/25/01/240322501.db2.gz DULZUSOTEPDIJB-QGZVFWFLSA-N 0 3 305.418 3.165 10 30 DGEEHN N#Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)o1 ZINC000091966755 193133581 /nfs/dbraw/zinc/13/35/81/193133581.db2.gz NEMBAIQLHKSEPM-MAUKXSAKSA-N 0 3 314.360 3.378 10 30 DGEEHN C=CCC[C@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000246221945 432109135 /nfs/dbraw/zinc/10/91/35/432109135.db2.gz BKUCQKVIEQWKBM-ROUUACIJSA-N 0 3 313.445 3.184 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2C[C@H](CC)CC[C@@H]2C)CC1 ZINC000454471780 241958020 /nfs/dbraw/zinc/95/80/20/241958020.db2.gz ZFVRPHMVSCJQIY-JKSUJKDBSA-N 0 3 307.482 3.247 10 30 DGEEHN C=C(C)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000455309600 242165083 /nfs/dbraw/zinc/16/50/83/242165083.db2.gz LIIGSURRBHXMJD-GOEBONIOSA-N 0 3 321.490 3.396 10 30 DGEEHN C=C(C)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000455309608 242165392 /nfs/dbraw/zinc/16/53/92/242165392.db2.gz LIIGSURRBHXMJD-ZBFHGGJFSA-N 0 3 321.490 3.396 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458277602 243016501 /nfs/dbraw/zinc/01/65/01/243016501.db2.gz DZPCOTILZQQAHY-ZDUSSCGKSA-N 0 3 308.397 3.307 10 30 DGEEHN C=CCN1CCC(NC(=O)N2Cc3ccc(Cl)cc3C2)CC1 ZINC000458330416 243033560 /nfs/dbraw/zinc/03/35/60/243033560.db2.gz GQGSGCONSZGVHH-UHFFFAOYSA-N 0 3 319.836 3.016 10 30 DGEEHN C=CCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459508226 243395219 /nfs/dbraw/zinc/39/52/19/243395219.db2.gz MPPLCOYRDISKEA-UHFFFAOYSA-N 0 3 319.880 3.112 10 30 DGEEHN C=CCNC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000471374319 244212676 /nfs/dbraw/zinc/21/26/76/244212676.db2.gz LQTRQHGQPNXJCT-WBVHZDCISA-N 0 3 301.434 3.039 10 30 DGEEHN CC(C)(C)CC(C)(C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000128392372 284373624 /nfs/dbraw/zinc/37/36/24/284373624.db2.gz MOEGQRUDBSLBKX-UHFFFAOYSA-N 0 3 322.474 3.136 10 30 DGEEHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(-n2ccnn2)cc1 ZINC000119871494 195052889 /nfs/dbraw/zinc/05/28/89/195052889.db2.gz HTHSXBJAOLMNJT-GFCCVEGCSA-N 0 3 309.398 3.051 10 30 DGEEHN Cn1ccnc1C[C@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000610512291 400268299 /nfs/dbraw/zinc/26/82/99/400268299.db2.gz PZKFQWPDWDJKPW-KRWDZBQOSA-N 0 3 322.437 3.427 10 30 DGEEHN C=CCCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000601744449 400343814 /nfs/dbraw/zinc/34/38/14/400343814.db2.gz KNRSYIJLNYYXLU-QGZVFWFLSA-N 0 3 309.413 3.349 10 30 DGEEHN CC(C)c1ccc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000070786491 400356654 /nfs/dbraw/zinc/35/66/54/400356654.db2.gz DCTNHDFWKSPJJZ-GJZGRUSLSA-N 0 3 301.434 3.221 10 30 DGEEHN C=CCN1CCC(NC(=O)NCC[C@H]2CCC[C@H](C)C2)CC1 ZINC000604652377 400794162 /nfs/dbraw/zinc/79/41/62/400794162.db2.gz JTHROJOUYORSLS-JKSUJKDBSA-N 0 3 307.482 3.152 10 30 DGEEHN C=CCCCCCN(C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000624782900 400949824 /nfs/dbraw/zinc/94/98/24/400949824.db2.gz CBPQUJHZEMHNBF-QGZVFWFLSA-N 0 3 307.482 3.391 10 30 DGEEHN CCN(CCC#N)C(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000194127367 400919375 /nfs/dbraw/zinc/91/93/75/400919375.db2.gz QZZWFQHYLQYOQP-QGZVFWFLSA-N 0 3 319.836 3.143 10 30 DGEEHN C[C@]1(/[N+]([O-])=C/c2ccc(Br)cc2)CCCCC1=O ZINC000225398966 400956971 /nfs/dbraw/zinc/95/69/71/400956971.db2.gz PNTOHYMFZCUJFH-FBKCMUNRSA-N 0 3 311.199 3.172 10 30 DGEEHN C#CC[C@H](N)c1ccc(Br)cc1Br ZINC000236305019 400978295 /nfs/dbraw/zinc/97/82/95/400978295.db2.gz PWGPELCIQOMTJD-JTQLQIEISA-N 0 3 302.997 3.235 10 30 DGEEHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000594424583 401061341 /nfs/dbraw/zinc/06/13/41/401061341.db2.gz GFSSAFVGMUVNDN-LBPRGKRZSA-N 0 3 300.189 3.343 10 30 DGEEHN Cc1ccc(OCCN(C)CCOc2ccc(C#N)cc2)cc1 ZINC000057972164 401039943 /nfs/dbraw/zinc/03/99/43/401039943.db2.gz GDQFWVKRJKGMFI-UHFFFAOYSA-N 0 3 310.397 3.256 10 30 DGEEHN C=CCCC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000594709132 401156747 /nfs/dbraw/zinc/15/67/47/401156747.db2.gz DUKHSGCLVGAMIP-KRWDZBQOSA-N 0 3 311.429 3.201 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccc(OCC)cc1 ZINC000630023956 401159749 /nfs/dbraw/zinc/15/97/49/401159749.db2.gz QHHSVUJFMBKHRC-HZPDHXFCSA-N 0 3 316.445 3.325 10 30 DGEEHN C=C1CC(C)(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000632041912 401573124 /nfs/dbraw/zinc/57/31/24/401573124.db2.gz AMFJCYTZNAGVOW-OAHLLOKOSA-N 0 3 313.445 3.080 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000623855640 401588524 /nfs/dbraw/zinc/58/85/24/401588524.db2.gz DSAIXWJMDYQGFK-SJORKVTESA-N 0 3 315.461 3.115 10 30 DGEEHN C=CC[C@H]1CCN(C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000628406123 401592187 /nfs/dbraw/zinc/59/21/87/401592187.db2.gz CKQITKJUFBGYGE-GJZGRUSLSA-N 0 3 307.459 3.092 10 30 DGEEHN N#Cc1ccc(OCCN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195354369 165367664 /nfs/dbraw/zinc/36/76/64/165367664.db2.gz YOOJUQQVEFQISN-OAHLLOKOSA-N 0 3 313.426 3.273 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NC/C=C/c2ccccc2)CC1 ZINC000171853760 432179315 /nfs/dbraw/zinc/17/93/15/432179315.db2.gz AEBMCBMDXSPWPC-RMKNXTFCSA-N 0 3 313.445 3.040 10 30 DGEEHN C=CCC[C@H](O)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246860360 432174531 /nfs/dbraw/zinc/17/45/31/432174531.db2.gz POJAHZUBKIYHHM-IRXDYDNUSA-N 0 3 305.393 3.190 10 30 DGEEHN N#C[C@H]1CCC[C@H](NCc2ccc(Cn3ccccc3=O)cc2)C1 ZINC000185795178 228396914 /nfs/dbraw/zinc/39/69/14/228396914.db2.gz CFZSPPCOZQIHGP-OALUTQOASA-N 0 3 321.424 3.069 10 30 DGEEHN C[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(C#N)cc1F ZINC000358574083 270003958 /nfs/dbraw/zinc/00/39/58/270003958.db2.gz ROKRLPDHCZGBDX-DZGCQCFKSA-N 0 3 310.376 3.022 10 30 DGEEHN CSC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCOCC1 ZINC000358587960 270004056 /nfs/dbraw/zinc/00/40/56/270004056.db2.gz LIWAVDQBBOBPQA-LBPRGKRZSA-N 0 3 308.422 3.260 10 30 DGEEHN CCN(Cc1ccc(C#N)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184801680 266135292 /nfs/dbraw/zinc/13/52/92/266135292.db2.gz VQTYXLQGDCEVLE-QGZVFWFLSA-N 0 3 309.413 3.248 10 30 DGEEHN CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000328798449 279292146 /nfs/dbraw/zinc/29/21/46/279292146.db2.gz GCZHCDRHZRBOKQ-CYBMUJFWSA-N 0 3 315.417 3.355 10 30 DGEEHN C=C[C@H](CC(=O)N(C)C[C@H]1CCCN1CC)c1ccccc1 ZINC000119212217 431662432 /nfs/dbraw/zinc/66/24/32/431662432.db2.gz JLODSMFXIKDROA-SJLPKXTDSA-N 0 3 300.446 3.289 10 30 DGEEHN C[C@@H](CCc1ccccc1)N1CCN(c2ncccc2C#N)CC1 ZINC000079481894 431727081 /nfs/dbraw/zinc/72/70/81/431727081.db2.gz KPJCSDQTNOJZIF-KRWDZBQOSA-N 0 3 320.440 3.097 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C)nc1C)C(C)C ZINC000120088471 431721865 /nfs/dbraw/zinc/72/18/65/431721865.db2.gz ALTHPTAPEYWHKA-SFHVURJKSA-N 0 3 315.461 3.127 10 30 DGEEHN Cc1csc(C(C#N)C(=O)Nc2nc3ccccc3s2)n1 ZINC000121950886 431808004 /nfs/dbraw/zinc/80/80/04/431808004.db2.gz JPELBAABGJMDMC-SECBINFHSA-N 0 3 314.395 3.307 10 30 DGEEHN CCc1nccn1[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000122945160 431849462 /nfs/dbraw/zinc/84/94/62/431849462.db2.gz KUACCLIFGFDCPB-AWEZNQCLSA-N 0 3 300.431 3.216 10 30 DGEEHN CC(C)Cc1ccc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122321336 431825803 /nfs/dbraw/zinc/82/58/03/431825803.db2.gz WXKBPIBXUYCVPK-HZPDHXFCSA-N 0 3 315.461 3.296 10 30 DGEEHN C[C@H](N[C@@H](C)c1ccc2ccccc2c1)C(=O)N(C)CCC#N ZINC000122330368 431827717 /nfs/dbraw/zinc/82/77/17/431827717.db2.gz FMQFOXCQCJNJTE-GJZGRUSLSA-N 0 3 309.413 3.251 10 30 DGEEHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc2ccccc2c1 ZINC000122330537 431828396 /nfs/dbraw/zinc/82/83/96/431828396.db2.gz FMQFOXCQCJNJTE-CABCVRRESA-N 0 3 309.413 3.251 10 30 DGEEHN CC(C)COC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000054341971 431970749 /nfs/dbraw/zinc/97/07/49/431970749.db2.gz VMNWKHYUKUJHKH-UHFFFAOYSA-N 0 3 302.418 3.074 10 30 DGEEHN CCN(C[C@@H](O)COC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340448 431969920 /nfs/dbraw/zinc/96/99/20/431969920.db2.gz HXKSBTCRYDBXBN-WMLDXEAASA-N 0 3 304.434 3.117 10 30 DGEEHN C[C@@H](N[C@@H](C)c1cccs1)C(=O)NC1(C#N)CCCCC1 ZINC000192680474 432399957 /nfs/dbraw/zinc/39/99/57/432399957.db2.gz HKRGENDFNRLEEE-QWHCGFSZSA-N 0 3 305.447 3.130 10 30 DGEEHN CC(C)C[C@@H](CO)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185341408 432492097 /nfs/dbraw/zinc/49/20/97/432492097.db2.gz DKVDCGJVBGKFMS-INIZCTEOSA-N 0 3 313.363 3.396 10 30 DGEEHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OC)cc1Br ZINC000186703756 432624320 /nfs/dbraw/zinc/62/43/20/432624320.db2.gz CENQUQXTHZCYQN-WDEREUQCSA-N 0 3 314.223 3.045 10 30 DGEEHN C=CC[C@H](CO)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186700502 432624618 /nfs/dbraw/zinc/62/46/18/432624618.db2.gz NUCGRGQYFCYPSJ-GDBMZVCRSA-N 0 3 306.425 3.404 10 30 DGEEHN C=CC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187545089 432668658 /nfs/dbraw/zinc/66/86/58/432668658.db2.gz YUAFKSRXAZVGTR-ZYHUDNBSSA-N 0 3 314.223 3.051 10 30 DGEEHN C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187545070 432668937 /nfs/dbraw/zinc/66/89/37/432668937.db2.gz YUAFKSRXAZVGTR-JQWIXIFHSA-N 0 3 314.223 3.051 10 30 DGEEHN COc1ccc(C#N)cc1CN(CCc1nccs1)C(C)C ZINC000159819932 432696901 /nfs/dbraw/zinc/69/69/01/432696901.db2.gz IAIBLEWFUDEHNR-UHFFFAOYSA-N 0 3 315.442 3.476 10 30 DGEEHN C=CCC[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000178453273 432738234 /nfs/dbraw/zinc/73/82/34/432738234.db2.gz BKUCQKVIEQWKBM-MSOLQXFVSA-N 0 3 313.445 3.184 10 30 DGEEHN C=CCN1CCC(NC(=O)Nc2ccc(CC)c(F)c2)CC1 ZINC000178968972 432791624 /nfs/dbraw/zinc/79/16/24/432791624.db2.gz VXIPVEZDYSXTAY-UHFFFAOYSA-N 0 3 305.397 3.160 10 30 DGEEHN CC(C)(C)c1nnsc1C(=O)NC1CC(N2CCCCC2)C1 ZINC000330079740 432892625 /nfs/dbraw/zinc/89/26/25/432892625.db2.gz GELCIVSQPOSDAS-UHFFFAOYSA-N 0 3 322.478 3.157 10 30 DGEEHN Cc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2C)N(C)C)cc1 ZINC000163375498 432850994 /nfs/dbraw/zinc/85/09/94/432850994.db2.gz BGSQYFNURFLWNQ-IBGZPJMESA-N 0 3 321.424 3.208 10 30 DGEEHN Cc1cccc(C)c1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330223170 432898547 /nfs/dbraw/zinc/89/85/47/432898547.db2.gz MYLCSPKGVVIWEJ-YSVLISHTSA-N 0 3 302.418 3.437 10 30 DGEEHN Cc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000330246217 432899601 /nfs/dbraw/zinc/89/96/01/432899601.db2.gz YCGCJZLBJAPAEZ-UVBJJODRSA-N 0 3 306.381 3.268 10 30 DGEEHN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CCCCN1C1CCCC1 ZINC000330300484 432902930 /nfs/dbraw/zinc/90/29/30/432902930.db2.gz NFIQCYYYZXJDPN-UAGQMJEPSA-N 0 3 308.466 3.291 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000425601701 433318425 /nfs/dbraw/zinc/31/84/25/433318425.db2.gz GUWDNWAQJICMMA-DOTOQJQBSA-N 0 3 300.446 3.498 10 30 DGEEHN Cc1cc(C#N)cc(N2CCCN(Cc3ccccc3)C[C@H]2C)n1 ZINC000342352941 433630664 /nfs/dbraw/zinc/63/06/64/433630664.db2.gz VFXPZEBLLWRMCU-QGZVFWFLSA-N 0 3 320.440 3.363 10 30 DGEEHN C[C@H](CN[C@H](C)c1ccc(C#N)cc1)N(C)C(=O)OC(C)(C)C ZINC000283190687 433686691 /nfs/dbraw/zinc/68/66/91/433686691.db2.gz KNSWNXILUVXMMU-ZIAGYGMSSA-N 0 3 317.433 3.464 10 30 DGEEHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)c1cccc(C#N)n1 ZINC000301871657 433770176 /nfs/dbraw/zinc/77/01/76/433770176.db2.gz WWLPKWCOJNLTNV-LPHOPBHVSA-N 0 3 320.440 3.300 10 30 DGEEHN C[C@@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301990104 433807804 /nfs/dbraw/zinc/80/78/04/433807804.db2.gz FKFOVPQTDKPQSG-AWEZNQCLSA-N 0 3 324.384 3.399 10 30 DGEEHN C=CC[C@H](CO)N[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000343503824 433811854 /nfs/dbraw/zinc/81/18/54/433811854.db2.gz LUCNWHQLBMDUMY-BXUZGUMPSA-N 0 3 300.324 3.004 10 30 DGEEHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449934144 433879359 /nfs/dbraw/zinc/87/93/59/433879359.db2.gz HTFGHAYTANVPFS-ZFWWWQNUSA-N 0 3 306.475 3.459 10 30 DGEEHN C=CC[C@H](CO)N[C@@H](C)c1cc(C)c(Br)s1 ZINC000286001767 434132861 /nfs/dbraw/zinc/13/28/61/434132861.db2.gz OWVDXDUXGSZBRA-VHSXEESVSA-N 0 3 304.253 3.407 10 30 DGEEHN Cc1nccn1C[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358567099 434397887 /nfs/dbraw/zinc/39/78/87/434397887.db2.gz JFCNZTRDDVYUKH-QWHCGFSZSA-N 0 3 300.381 3.189 10 30 DGEEHN C[C@@H](NCCc1cn2c(n1)CCCC2)c1ccc(C#N)cc1F ZINC000358571133 434398143 /nfs/dbraw/zinc/39/81/43/434398143.db2.gz OCLUVOYHOHKZMN-CYBMUJFWSA-N 0 3 312.392 3.123 10 30 DGEEHN C[C@@H](CN(C)Cc1ccccc1)NCc1ccc(C#N)c(F)c1 ZINC000404177362 434506335 /nfs/dbraw/zinc/50/63/35/434506335.db2.gz ZNPRMVVCFCBAET-HNNXBMFYSA-N 0 3 311.404 3.307 10 30 DGEEHN C=CCOc1ccccc1C(=O)NC[C@@H](N)c1ccccc1CC ZINC000423955849 434588470 /nfs/dbraw/zinc/58/84/70/434588470.db2.gz CLXVSCGIXYNYQP-GOSISDBHSA-N 0 3 324.424 3.244 10 30 DGEEHN C[C@H](c1ccccc1)N1CCC(Nc2ccncc2C#N)CC1 ZINC000372229956 434815481 /nfs/dbraw/zinc/81/54/81/434815481.db2.gz BVAXTOVQLRHDMX-OAHLLOKOSA-N 0 3 306.413 3.013 10 30 DGEEHN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000523583133 434954647 /nfs/dbraw/zinc/95/46/47/434954647.db2.gz WDNAWCIIHBACNF-MRXNPFEDSA-N 0 3 318.848 3.330 10 30 DGEEHN C=CC1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000528148387 435020520 /nfs/dbraw/zinc/02/05/20/435020520.db2.gz HNEWFHACICSXNJ-KRWDZBQOSA-N 0 3 305.466 3.001 10 30 DGEEHN C=CCCCCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000575762264 435051176 /nfs/dbraw/zinc/05/11/76/435051176.db2.gz NMYOLALMWPCVRQ-UHFFFAOYSA-N 0 3 305.397 3.339 10 30 DGEEHN C=CCNC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000471374318 435136815 /nfs/dbraw/zinc/13/68/15/435136815.db2.gz LQTRQHGQPNXJCT-NVXWUHKLSA-N 0 3 301.434 3.039 10 30 DGEEHN C=CCOc1ccccc1CN(C)C[C@@H](O)Cc1ccccc1 ZINC000564718822 435274108 /nfs/dbraw/zinc/27/41/08/435274108.db2.gz PHNRBHZZDLXXCP-IBGZPJMESA-N 0 3 311.425 3.287 10 30 DGEEHN C[C@H](NCCc1ccc2c(c1)OCO2)c1ccc(C#N)cc1F ZINC000541905045 314047778 /nfs/dbraw/zinc/04/77/78/314047778.db2.gz WUMSJNIAGJTQHG-LBPRGKRZSA-N 0 3 312.344 3.319 10 30 DGEEHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ccc(C#N)cc1 ZINC000551425894 314561556 /nfs/dbraw/zinc/56/15/56/314561556.db2.gz PIILUJIVKWNDSR-DNVCBOLYSA-N 0 3 322.408 3.068 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@H](c1ccco1)N(C)C ZINC000072670323 331669615 /nfs/dbraw/zinc/66/96/15/331669615.db2.gz XRPSFECQAJXZFL-INIZCTEOSA-N 0 3 300.402 3.237 10 30 DGEEHN CCN1CCN(c2ccccc2N[C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185732745 333212920 /nfs/dbraw/zinc/21/29/20/333212920.db2.gz IMSXDYPJGHFJCP-SJORKVTESA-N 0 3 312.461 3.323 10 30 DGEEHN Cc1nc(C(C#N)C(=O)Nc2cc(C)ccc2F)sc1C ZINC000505755128 340176649 /nfs/dbraw/zinc/17/66/49/340176649.db2.gz CIWVZSHUPOPASS-LLVKDONJSA-N 0 3 303.362 3.453 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000521600880 340525948 /nfs/dbraw/zinc/52/59/48/340525948.db2.gz OWPRBSXOWWTWTB-BPQIPLTHSA-N 0 3 321.509 3.397 10 30 DGEEHN C=CCN(CCc1ccccc1)C(=O)CCN(C)c1ccncc1 ZINC000543715740 341055028 /nfs/dbraw/zinc/05/50/28/341055028.db2.gz AOFXGAFNTDPQJY-UHFFFAOYSA-N 0 3 323.440 3.165 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@H](O)CCc1ccccc1 ZINC000544180246 341073143 /nfs/dbraw/zinc/07/31/43/341073143.db2.gz DJBNFICFIGYWBO-IBGZPJMESA-N 0 3 311.425 3.335 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CCC(C(C)(C)C)CC2)CC1 ZINC000172185694 341794419 /nfs/dbraw/zinc/79/44/19/341794419.db2.gz UMIJQHAURJRSRF-UHFFFAOYSA-N 0 3 307.482 3.105 10 30 DGEEHN C=C(CC)CNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000455516943 534409447 /nfs/dbraw/zinc/40/94/47/534409447.db2.gz DELGSHYXKGQBQY-GDBMZVCRSA-N 0 3 321.490 3.396 10 30 DGEEHN C=CCC1(CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000459054257 534598258 /nfs/dbraw/zinc/59/82/58/534598258.db2.gz SPJKFRCWGMWKFZ-HZPDHXFCSA-N 0 3 307.482 3.247 10 30 DGEEHN C=C[C@H](C)[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459443427 534666442 /nfs/dbraw/zinc/66/64/42/534666442.db2.gz NHRLHOJUGBECRD-VIFPVBQESA-N 0 3 300.196 3.218 10 30 DGEEHN C=CCCCN(C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000489422749 534714403 /nfs/dbraw/zinc/71/44/03/534714403.db2.gz MYYUMYUNYYMUFH-HNNXBMFYSA-N 0 3 310.800 3.482 10 30 DGEEHN C=C(C)CN(CC)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433021310 526526025 /nfs/dbraw/zinc/52/60/25/526526025.db2.gz QLPAENNQUMQFOW-SFHVURJKSA-N 0 3 313.445 3.436 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)Nc2nc(C(C)C)cs2)CC1 ZINC000171548147 526595403 /nfs/dbraw/zinc/59/54/03/526595403.db2.gz INJPUDTVPVFXDM-UHFFFAOYSA-N 0 3 322.478 3.429 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000412584153 526714924 /nfs/dbraw/zinc/71/49/24/526714924.db2.gz WTSIGWBFXSORBH-AWEZNQCLSA-N 0 3 320.433 3.176 10 30 DGEEHN C=C(C)[C@H]1OCC[C@H]1CNCc1nccn1Cc1ccccc1 ZINC000435736574 526849375 /nfs/dbraw/zinc/84/93/75/526849375.db2.gz XZZIQJIAQVZFSA-PKOBYXMFSA-N 0 3 311.429 3.002 10 30 DGEEHN C=CCOc1ccc(CN2CCC[C@@](CO)(C(C)C)C2)cc1 ZINC000354564430 526867117 /nfs/dbraw/zinc/86/71/17/526867117.db2.gz KNTDELJDCNRZJE-LJQANCHMSA-N 0 3 303.446 3.482 10 30 DGEEHN C=C(CNCc1cn(-c2ccncc2)nc1C)c1ccccc1 ZINC000344129919 526881513 /nfs/dbraw/zinc/88/15/13/526881513.db2.gz VHXOBBFOIVRQIY-UHFFFAOYSA-N 0 3 304.397 3.379 10 30 DGEEHN C=C(CNCc1ccc2c(c1)sc(=O)n2C)c1ccccc1 ZINC000341054558 526882162 /nfs/dbraw/zinc/88/21/62/526882162.db2.gz UMVNHRSZODKXQF-UHFFFAOYSA-N 0 3 310.422 3.403 10 30 DGEEHN C=CCSCCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000358024772 527004676 /nfs/dbraw/zinc/00/46/76/527004676.db2.gz MTQJNXYRLBXWOQ-LBPRGKRZSA-N 0 3 322.865 3.491 10 30 DGEEHN C=CCSCCN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000180457454 527005451 /nfs/dbraw/zinc/00/54/51/527005451.db2.gz ITBRDMHKQXLFNS-LBPRGKRZSA-N 0 3 308.447 3.223 10 30 DGEEHN C=CC[C@@H](CO)NCc1cc(Br)ccc1Cl ZINC000184267706 527101014 /nfs/dbraw/zinc/10/10/14/527101014.db2.gz HVLZTQIPRGFMMP-NSHDSACASA-N 0 3 304.615 3.129 10 30 DGEEHN C=CCCCN(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000346892950 527189415 /nfs/dbraw/zinc/18/94/15/527189415.db2.gz KLDASZQMYWWNDX-KRWDZBQOSA-N 0 3 318.436 3.462 10 30 DGEEHN C=CCCCN(C)CC(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000346971672 527193056 /nfs/dbraw/zinc/19/30/56/527193056.db2.gz UWAKZJQKBFHSAZ-UHFFFAOYSA-N 0 3 316.445 3.084 10 30 DGEEHN C=CCCCN(C)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000339002893 527193727 /nfs/dbraw/zinc/19/37/27/527193727.db2.gz NHBLCSMKDAFUPL-RHSMWYFYSA-N 0 3 304.409 3.386 10 30 DGEEHN C=CCn1c(SC[C@H](C)N(C)C)nnc1-c1ccoc1C ZINC000358864410 527341693 /nfs/dbraw/zinc/34/16/93/527341693.db2.gz URKGVQIQZDXSNE-NSHDSACASA-N 0 3 306.435 3.075 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000424175546 527497847 /nfs/dbraw/zinc/49/78/47/527497847.db2.gz VBQPVVSSATXCPQ-FZMZJTMJSA-N 0 3 301.308 3.092 10 30 DGEEHN Cc1nc(C)c([C@@H](C)NCCOc2ccc(C#N)cc2)s1 ZINC000181155317 546154449 /nfs/dbraw/zinc/15/44/49/546154449.db2.gz YGLHGXIMEVNPLS-LLVKDONJSA-N 0 3 301.415 3.361 10 30 DGEEHN CC#CCN1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000741779158 574641606 /nfs/dbraw/zinc/64/16/06/574641606.db2.gz QOBJQAIMLDTONM-HZPDHXFCSA-N 0 3 306.450 3.121 10 30 DGEEHN Cc1ccc(N=NC2CCN(Cc3ccccc3)C[C@@H]2C)nn1 ZINC000734364889 574657933 /nfs/dbraw/zinc/65/79/33/574657933.db2.gz JSPCHNZPNOPEOP-AWEZNQCLSA-N 0 3 309.417 3.095 10 30 DGEEHN CC(C)(C)OC(=O)NC1CCC(N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000218106977 627104331 /nfs/dbraw/zinc/10/43/31/627104331.db2.gz XKAIXGRMLLZZIF-VXGQWTEUSA-N 0 3 307.438 3.104 10 30 DGEEHN Cc1nc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)c(C)s1 ZINC000178706613 657007850 /nfs/dbraw/zinc/00/78/50/657007850.db2.gz RXJCQLKJIPMXLU-CYBMUJFWSA-N 0 3 313.382 3.030 10 30 DGEEHN N#Cc1cccc(CNCc2ccc(N3CCCCC3=O)cc2)c1 ZINC000098172864 657995087 /nfs/dbraw/zinc/99/50/87/657995087.db2.gz BIAPIOKCHMMVNY-UHFFFAOYSA-N 0 3 319.408 3.365 10 30 DGEEHN C=CCOc1ccc(CNCc2ccc(O)c(F)c2)cc1OC ZINC000120456556 1200148901 /nfs/dbraw/zinc/14/89/01/1200148901.db2.gz YIODKVQZSQLXEF-UHFFFAOYSA-N 0 3 317.360 3.395 10 30 DGEEHN N#C[C@@H]1CC[C@@H](N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)C1 ZINC000328740333 283058120 /nfs/dbraw/zinc/05/81/20/283058120.db2.gz IJCUXGKOTBIVHA-ZYHUDNBSSA-N 0 3 312.339 3.300 10 30 DGEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000164714887 432051454 /nfs/dbraw/zinc/05/14/54/432051454.db2.gz OTEJHHABEZHKNI-ABAIWWIYSA-N 0 3 320.824 3.062 10 30 DGEEHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180882174 199223454 /nfs/dbraw/zinc/22/34/54/199223454.db2.gz AUMOUFDVQMYKIF-YOEHRIQHSA-N 0 3 321.428 3.425 10 30 DGEEHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000170858062 432084748 /nfs/dbraw/zinc/08/47/48/432084748.db2.gz CSKZIGOXBNTUCZ-MRXNPFEDSA-N 0 3 319.408 3.001 10 30 DGEEHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000281216191 216160749 /nfs/dbraw/zinc/16/07/49/216160749.db2.gz KAUUKZOGGIOLET-KBAYOESNSA-N 0 3 302.393 3.213 10 30 DGEEHN C=C(C)COc1cc(CN2CC[C@H](CO)[C@H]2CC)ccc1OC ZINC000449424479 240194060 /nfs/dbraw/zinc/19/40/60/240194060.db2.gz PDPWAYSPEHBYAY-IAGOWNOFSA-N 0 3 319.445 3.243 10 30 DGEEHN C=C(C)COc1cc(CN[C@H]2COCC2(C)C)ccc1OC ZINC000449622389 240324728 /nfs/dbraw/zinc/32/47/28/240324728.db2.gz DULZUSOTEPDIJB-KRWDZBQOSA-N 0 3 305.418 3.165 10 30 DGEEHN CN(CCc1ccc(F)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000092150143 193168904 /nfs/dbraw/zinc/16/89/04/193168904.db2.gz JOVSPXNIRJLLIU-UHFFFAOYSA-N 0 3 308.360 3.020 10 30 DGEEHN CCS[C@H]1CC[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000093868672 193321445 /nfs/dbraw/zinc/32/14/45/193321445.db2.gz SIFIHDYLNQSMIM-HOCLYGCPSA-N 0 3 314.458 3.312 10 30 DGEEHN C=CCC[C@H](O)CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134823702 335014422 /nfs/dbraw/zinc/01/44/22/335014422.db2.gz POJAHZUBKIYHHM-SJORKVTESA-N 0 3 305.393 3.190 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccccc1)C(C)C ZINC000496014421 246342418 /nfs/dbraw/zinc/34/24/18/246342418.db2.gz OVBBEKOIELYPDS-SFHVURJKSA-N 0 3 300.446 3.044 10 30 DGEEHN N#Cc1cccc(O[C@@H](CN)c2ccc(Br)cc2)c1 ZINC000042957572 183323892 /nfs/dbraw/zinc/32/38/92/183323892.db2.gz FMLSTTDGNUBLQI-HNNXBMFYSA-N 0 3 317.186 3.400 10 30 DGEEHN C#CCN1CCC(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000156532599 197120974 /nfs/dbraw/zinc/12/09/74/197120974.db2.gz DYVLRECVDNXPET-LJQANCHMSA-N 0 3 324.468 3.162 10 30 DGEEHN Cc1cc(C#N)nc(N[C@@H](CN2CCCCC2)c2ccccc2)n1 ZINC000587983879 400176277 /nfs/dbraw/zinc/17/62/77/400176277.db2.gz CIKGCBSVBALFEO-SFHVURJKSA-N 0 3 321.428 3.296 10 30 DGEEHN C=CC[C@H]1CCCC[C@H]1NC(=O)CCN(C)c1ccncc1 ZINC000617041923 400289891 /nfs/dbraw/zinc/28/98/91/400289891.db2.gz KZSQCPMFWBNYGP-DOTOQJQBSA-N 0 3 301.434 3.159 10 30 DGEEHN C=C(C)COc1cc(CN(C)[C@@H](CO)CC(C)C)ccc1OC ZINC000579892911 400344260 /nfs/dbraw/zinc/34/42/60/400344260.db2.gz JSIHNHHKYUUXDB-QGZVFWFLSA-N 0 3 321.461 3.489 10 30 DGEEHN C=CCNc1nc(=NN2CCCCC2)c2scc(C)c2[nH]1 ZINC000140938113 400622561 /nfs/dbraw/zinc/62/25/61/400622561.db2.gz WLEUWVSUTBGTCF-UHFFFAOYSA-N 0 3 303.435 3.410 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000076946197 400681779 /nfs/dbraw/zinc/68/17/79/400681779.db2.gz UAQLNNQRYNZIKR-GOSISDBHSA-N 0 3 315.461 3.431 10 30 DGEEHN C=C1CC(C)(C(=O)Nc2ccc(OCCN(C)C)c(C)c2)C1 ZINC000633417925 400943940 /nfs/dbraw/zinc/94/39/40/400943940.db2.gz OVCFMWUIJVEAAM-UHFFFAOYSA-N 0 3 302.418 3.230 10 30 DGEEHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182016991 400890790 /nfs/dbraw/zinc/89/07/90/400890790.db2.gz HHLWDAJVNUXQBC-HNNXBMFYSA-N 0 3 320.371 3.109 10 30 DGEEHN C=CCOc1ccccc1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000593875519 400917631 /nfs/dbraw/zinc/91/76/31/400917631.db2.gz MWFWLBZTZWAOPR-HOTGVXAUSA-N 0 3 316.445 3.244 10 30 DGEEHN C=CC[C@H]1CCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000625702375 401185625 /nfs/dbraw/zinc/18/56/25/401185625.db2.gz XWQXLXREKBFXPM-LBPRGKRZSA-N 0 3 300.324 3.421 10 30 DGEEHN C=CC[C@H]1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000625701376 401186575 /nfs/dbraw/zinc/18/65/75/401186575.db2.gz QPHZOSXOBMEVCB-KBPBESRZSA-N 0 3 322.399 3.382 10 30 DGEEHN C=CC[C@H]1CCN(CC(=O)N(CC)Cc2cccc(F)c2)C1 ZINC000625703085 401187284 /nfs/dbraw/zinc/18/72/84/401187284.db2.gz YFUTVZSEGKEPHJ-HNNXBMFYSA-N 0 3 304.409 3.072 10 30 DGEEHN C=CC[C@@H]1CCN(CC(=O)N(CC)Cc2cccc(F)c2)C1 ZINC000625703090 401188393 /nfs/dbraw/zinc/18/83/93/401188393.db2.gz YFUTVZSEGKEPHJ-OAHLLOKOSA-N 0 3 304.409 3.072 10 30 DGEEHN C=C1CC(C)(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000630860747 401343839 /nfs/dbraw/zinc/34/38/39/401343839.db2.gz PIQKVDVAHJYODP-OAHLLOKOSA-N 0 3 318.486 3.433 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000187232246 165082858 /nfs/dbraw/zinc/08/28/58/165082858.db2.gz ZXOXYTQVTUOCFR-HNAYVOBHSA-N 0 3 321.424 3.288 10 30 DGEEHN C[C@@H](CCO)N(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192145049 165283964 /nfs/dbraw/zinc/28/39/64/165283964.db2.gz OFQUDCBMSXLXRX-HNNXBMFYSA-N 0 3 312.388 3.470 10 30 DGEEHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Cn3ccccc3=O)cc2)C1 ZINC000185795201 228397073 /nfs/dbraw/zinc/39/70/73/228397073.db2.gz CFZSPPCOZQIHGP-RTBURBONSA-N 0 3 321.424 3.069 10 30 DGEEHN Cc1cc(C(F)(F)F)c(C#N)c(SC[C@H](C)N(C)C)n1 ZINC000358857517 269911137 /nfs/dbraw/zinc/91/11/37/269911137.db2.gz ZTDHBFRCMJNMMH-VIFPVBQESA-N 0 3 303.353 3.323 10 30 DGEEHN C=C(C)CN1CCC(Nc2nc(C3CC3)nc3[nH]ccc32)CC1 ZINC000631107976 429974808 /nfs/dbraw/zinc/97/48/08/429974808.db2.gz JMCBYPBELYVFTH-UHFFFAOYSA-N 0 3 311.433 3.288 10 30 DGEEHN CCN1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000328798450 279315594 /nfs/dbraw/zinc/31/55/94/279315594.db2.gz GCZHCDRHZRBOKQ-ZDUSSCGKSA-N 0 3 315.417 3.355 10 30 DGEEHN COc1ccc(OC)c([C@@H]2CCCN2CCCSCC#N)c1 ZINC000074981358 431444824 /nfs/dbraw/zinc/44/48/24/431444824.db2.gz MPMAOWXMKPMZDJ-INIZCTEOSA-N 0 3 320.458 3.488 10 30 DGEEHN C=CCCOCCNCc1ccc(Br)c(F)c1 ZINC000120813689 431733742 /nfs/dbraw/zinc/73/37/42/431733742.db2.gz LVIKRAIIVZHTQT-UHFFFAOYSA-N 0 3 302.187 3.271 10 30 DGEEHN C#CCCOc1ccc(CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000123052210 431853331 /nfs/dbraw/zinc/85/33/31/431853331.db2.gz MRMXIXGZHHRQKD-LJQANCHMSA-N 0 3 323.440 3.431 10 30 DGEEHN N#Cc1cccc(CN(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123597443 431869079 /nfs/dbraw/zinc/86/90/79/431869079.db2.gz FUOZSBBJJYMIIV-SJORKVTESA-N 0 3 302.443 3.045 10 30 DGEEHN C=C(Cl)COc1ccc([C@@H](C)NCCc2nc(C)no2)cc1 ZINC000089517839 431869176 /nfs/dbraw/zinc/86/91/76/431869176.db2.gz CGICXBSVEZSCFK-GFCCVEGCSA-N 0 3 321.808 3.403 10 30 DGEEHN C=CCC[C@@H](O)CN(Cc1cccc(OC)c1OC)C(C)C ZINC000036031991 431833391 /nfs/dbraw/zinc/83/33/91/431833391.db2.gz HPCBAUDFCWJDCK-MRXNPFEDSA-N 0 3 307.434 3.241 10 30 DGEEHN C=CCC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036095532 431835877 /nfs/dbraw/zinc/83/58/77/431835877.db2.gz FUVAGZZUMKRDJG-ROUUACIJSA-N 0 3 307.409 3.134 10 30 DGEEHN CN(CCC#N)c1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810911 431912089 /nfs/dbraw/zinc/91/20/89/431912089.db2.gz OFVSPJUTUXXOKO-UHFFFAOYSA-N 0 3 323.444 3.139 10 30 DGEEHN C#CCOc1ccc(CN(CC)CCc2nccs2)cc1 ZINC000093764601 431916778 /nfs/dbraw/zinc/91/67/78/431916778.db2.gz KHFXVBAPZUIZNT-UHFFFAOYSA-N 0 3 300.427 3.220 10 30 DGEEHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccccc1N(C)C ZINC000090106686 431890320 /nfs/dbraw/zinc/89/03/20/431890320.db2.gz CITQAWSYZSKGSX-OAHLLOKOSA-N 0 3 309.413 3.354 10 30 DGEEHN CCN(CC)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101558 431902745 /nfs/dbraw/zinc/90/27/45/431902745.db2.gz GVTCEGJUCWXBGQ-UHFFFAOYSA-N 0 3 321.424 3.183 10 30 DGEEHN CN(CCOCCOc1ccccc1)Cc1cccc(C#N)c1 ZINC000051400929 431951363 /nfs/dbraw/zinc/95/13/63/431951363.db2.gz UADDVWCVYFDNPK-UHFFFAOYSA-N 0 3 310.397 3.086 10 30 DGEEHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000248894192 432327111 /nfs/dbraw/zinc/32/71/11/432327111.db2.gz GIVGHZQFVRKYFY-BVGQSLNGSA-N 0 3 312.438 3.389 10 30 DGEEHN C=C[C@@H](CC(=O)N(C)C[C@@H]1CCCN1CC)c1ccccc1 ZINC000252801404 432388104 /nfs/dbraw/zinc/38/81/04/432388104.db2.gz JLODSMFXIKDROA-WMZOPIPTSA-N 0 3 300.446 3.289 10 30 DGEEHN C=CCOc1cccc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000175591328 432450925 /nfs/dbraw/zinc/45/09/25/432450925.db2.gz ZNLIBEYENNAQIW-GOEBONIOSA-N 0 3 317.433 3.198 10 30 DGEEHN CC#CCCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000185303629 432489103 /nfs/dbraw/zinc/48/91/03/432489103.db2.gz DXZUJTIVUGGMQD-LJQANCHMSA-N 0 3 312.457 3.351 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000185988111 432551578 /nfs/dbraw/zinc/55/15/78/432551578.db2.gz JFSDUAVAVCPPRJ-HNNXBMFYSA-N 0 3 301.434 3.017 10 30 DGEEHN Cc1cc(C#N)ccc1CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000186309460 432581726 /nfs/dbraw/zinc/58/17/26/432581726.db2.gz JGXNBRKGZOHJJV-QGZVFWFLSA-N 0 3 321.428 3.173 10 30 DGEEHN C=CCN1CCC(Nc2ncnc3cc(Cl)ccc32)CC1 ZINC000264461603 432648529 /nfs/dbraw/zinc/64/85/29/432648529.db2.gz PYRPURBJLMYZDX-UHFFFAOYSA-N 0 3 302.809 3.346 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160022214 432705332 /nfs/dbraw/zinc/70/53/32/432705332.db2.gz AORWMRQMIXZXBM-AEFFLSMTSA-N 0 3 315.461 3.257 10 30 DGEEHN CN1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000179015629 432796794 /nfs/dbraw/zinc/79/67/94/432796794.db2.gz XCKQUONYEJDWKU-ROUUACIJSA-N 0 3 320.396 3.125 10 30 DGEEHN CN1CC[C@@H](NCc2ccc(C#N)o2)[C@H]1c1ccc(Cl)cc1 ZINC000245903288 432868832 /nfs/dbraw/zinc/86/88/32/432868832.db2.gz QEQMIFLLHIKCDQ-IAGOWNOFSA-N 0 3 315.804 3.340 10 30 DGEEHN C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1n1ccnc1 ZINC000245717585 432857834 /nfs/dbraw/zinc/85/78/34/432857834.db2.gz UHENEZVIMGOORC-MAUKXSAKSA-N 0 3 313.832 3.471 10 30 DGEEHN C[C@@H](NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000330251406 432899692 /nfs/dbraw/zinc/89/96/92/432899692.db2.gz HNYXNTJRQQAXIE-DLTLXFJOSA-N 0 3 302.418 3.250 10 30 DGEEHN C=CCCCNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000448093293 433358286 /nfs/dbraw/zinc/35/82/86/433358286.db2.gz IHHZEEOIKWKRSI-KRWDZBQOSA-N 0 3 303.450 3.117 10 30 DGEEHN N#Cc1cc(N2CCN(C3CCCC3)CC2)c2ccccc2n1 ZINC000301375534 433530501 /nfs/dbraw/zinc/53/05/01/433530501.db2.gz XIIORIXTNQWQDD-UHFFFAOYSA-N 0 3 306.413 3.171 10 30 DGEEHN Cc1cc(N2CCCN(Cc3ccccc3)CC2)c(C#N)c(C)n1 ZINC000301663683 433661456 /nfs/dbraw/zinc/66/14/56/433661456.db2.gz KNZZLRRLLQCFPT-UHFFFAOYSA-N 0 3 320.440 3.282 10 30 DGEEHN C=CCC(C)(C)CNC(=O)CCN1CCc2ccccc2C1 ZINC000416236910 434067005 /nfs/dbraw/zinc/06/70/05/434067005.db2.gz CMCYXGKDEYKOHF-UHFFFAOYSA-N 0 3 300.446 3.153 10 30 DGEEHN C=CCOc1ccc(CN[C@@H](CC)[C@@H](O)C(F)F)cc1Cl ZINC000295133766 434220803 /nfs/dbraw/zinc/22/08/03/434220803.db2.gz YOGPRIPGYKJSQQ-GXTWGEPZSA-N 0 3 319.779 3.399 10 30 DGEEHN C=C(C)CN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000378530775 434213652 /nfs/dbraw/zinc/21/36/52/434213652.db2.gz FSTKOLBRABPHAD-HNNXBMFYSA-N 0 3 316.449 3.294 10 30 DGEEHN C=CCOc1ccc(CN[C@H](CC)[C@@H](O)C(F)F)cc1Cl ZINC000295133772 434217790 /nfs/dbraw/zinc/21/77/90/434217790.db2.gz YOGPRIPGYKJSQQ-TZMCWYRMSA-N 0 3 319.779 3.399 10 30 DGEEHN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N[C@@H]1CCc3ccccc31)CCC2 ZINC000328659426 434296864 /nfs/dbraw/zinc/29/68/64/434296864.db2.gz SSZWDQPLKRNEDU-DOTOQJQBSA-N 0 3 324.428 3.260 10 30 DGEEHN CCN1CCC[C@@H](NC(=O)c2cn(C)nc2C2CCCCC2)C1 ZINC000328705899 434302205 /nfs/dbraw/zinc/30/22/05/434302205.db2.gz AEPWXTJHGNZTCN-OAHLLOKOSA-N 0 3 318.465 3.257 10 30 DGEEHN C[C@@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccc(C#N)cc1F ZINC000358580433 434398624 /nfs/dbraw/zinc/39/86/24/434398624.db2.gz XVHDNNIHLIJDOE-HIFRSBDPSA-N 0 3 318.392 3.076 10 30 DGEEHN Cn1cc2c(n1)CCC[C@H]2NCc1cccc(OCCCC#N)c1 ZINC000366973770 434533464 /nfs/dbraw/zinc/53/34/64/434533464.db2.gz BXVCNOPPGIJHMY-GOSISDBHSA-N 0 3 324.428 3.270 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000521600885 434888497 /nfs/dbraw/zinc/88/84/97/434888497.db2.gz OWPRBSXOWWTWTB-KBAYOESNSA-N 0 3 321.509 3.397 10 30 DGEEHN C=CCN1CCC(NCc2ccsc2Br)CC1 ZINC000527657478 435013049 /nfs/dbraw/zinc/01/30/49/435013049.db2.gz RFEIXMSCYFRHOK-UHFFFAOYSA-N 0 3 315.280 3.251 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OCC)c(OC)cc1F ZINC000527715854 435013936 /nfs/dbraw/zinc/01/39/36/435013936.db2.gz KWFLADFTIBQBBZ-CABCVRRESA-N 0 3 309.381 3.056 10 30 DGEEHN C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000466321865 435072240 /nfs/dbraw/zinc/07/22/40/435072240.db2.gz AQDMEOZDZYXFDF-QZTJIDSGSA-N 0 3 315.461 3.257 10 30 DGEEHN C=CCOc1ccc(CN(C)[C@@H](CO)CC(C)C)cc1OC ZINC000558423215 435089015 /nfs/dbraw/zinc/08/90/15/435089015.db2.gz IIFCJCGLINZKAB-MRXNPFEDSA-N 0 3 307.434 3.099 10 30 DGEEHN C=CCOc1ccccc1CN[C@H](CO)Cc1cccc(C)c1 ZINC000466905204 435098129 /nfs/dbraw/zinc/09/81/29/435098129.db2.gz DHUPQEAXVDKIGT-IBGZPJMESA-N 0 3 311.425 3.253 10 30 DGEEHN C=CCCN(C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000466979363 435102962 /nfs/dbraw/zinc/10/29/62/435102962.db2.gz QDHNTUVSEBNHRF-UHFFFAOYSA-N 0 3 315.461 3.390 10 30 DGEEHN C=CCCN(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000467103889 435109227 /nfs/dbraw/zinc/10/92/27/435109227.db2.gz KTFFYRSBVGUWNY-GDBMZVCRSA-N 0 3 321.490 3.349 10 30 DGEEHN C=C[C@@H](CC(=O)NCCN1CCCC[C@@H]1C)c1ccccc1 ZINC000533924528 435260720 /nfs/dbraw/zinc/26/07/20/435260720.db2.gz ABNMOKYNDOGEMF-IRXDYDNUSA-N 0 3 300.446 3.337 10 30 DGEEHN C=CCn1c(SC[C@H](C)N(C)C)nnc1-c1ccc(F)cc1 ZINC000479220008 435322867 /nfs/dbraw/zinc/32/28/67/435322867.db2.gz SMUIMMNEZIMLPY-LBPRGKRZSA-N 0 3 320.437 3.312 10 30 DGEEHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1F ZINC000512618017 435363269 /nfs/dbraw/zinc/36/32/69/435363269.db2.gz HLOMHOMFGHIONI-GFCCVEGCSA-N 0 3 313.332 3.499 10 30 DGEEHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1F ZINC000512654511 435363301 /nfs/dbraw/zinc/36/33/01/435363301.db2.gz MUOGUFXKOGHJTL-GFCCVEGCSA-N 0 3 313.332 3.499 10 30 DGEEHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000512658873 435366108 /nfs/dbraw/zinc/36/61/08/435366108.db2.gz AOSLTIQVVIKTNS-GFCCVEGCSA-N 0 3 313.332 3.499 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC1(C)C)C(C)C ZINC000480650382 435388598 /nfs/dbraw/zinc/38/85/98/435388598.db2.gz RQRQPFCIBPDVCJ-INIZCTEOSA-N 0 3 307.482 3.269 10 30 DGEEHN C=CCOc1ccc(CN(C)C[C@H](O)Cc2ccccc2)cc1 ZINC000480621191 435389283 /nfs/dbraw/zinc/38/92/83/435389283.db2.gz JEKQIMNSJVGOML-LJQANCHMSA-N 0 3 311.425 3.287 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000519301575 435677194 /nfs/dbraw/zinc/67/71/94/435677194.db2.gz LOFREVMODZPNFK-SJORKVTESA-N 0 3 307.482 3.151 10 30 DGEEHN C[C@@H](NC[C@H](O)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000543416410 314133011 /nfs/dbraw/zinc/13/30/11/314133011.db2.gz KEWILPNYBWKLAE-RHSMWYFYSA-N 0 3 312.388 3.342 10 30 DGEEHN C=CCc1cc(CNCc2ccc(CC#N)cc2)cc(OC)c1O ZINC000516769231 333204781 /nfs/dbraw/zinc/20/47/81/333204781.db2.gz WMYZGUYJIWPPJB-UHFFFAOYSA-N 0 3 322.408 3.485 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179261428 337168283 /nfs/dbraw/zinc/16/82/83/337168283.db2.gz CNXZWJQYWFVOFF-SJORKVTESA-N 0 3 301.434 3.039 10 30 DGEEHN C=CCOc1ccccc1CN1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000499255731 340033522 /nfs/dbraw/zinc/03/35/22/340033522.db2.gz ZEFOQCXLAXHWBI-DLBZAZTESA-N 0 3 303.446 3.480 10 30 DGEEHN C=CCN(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000504831936 340153328 /nfs/dbraw/zinc/15/33/28/340153328.db2.gz QQXJYGWQVSBDOH-SFHVURJKSA-N 0 3 317.477 3.361 10 30 DGEEHN C=CCCc1ccccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000505035345 340159527 /nfs/dbraw/zinc/15/95/27/340159527.db2.gz LMFQJLOJZTVNTB-KRWDZBQOSA-N 0 3 311.429 3.283 10 30 DGEEHN C=C(C)CCN1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000509365351 340267374 /nfs/dbraw/zinc/26/73/74/340267374.db2.gz IZSKHDFJJUIZTR-QGZVFWFLSA-N 0 3 314.429 3.381 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184267739 340491689 /nfs/dbraw/zinc/49/16/89/340491689.db2.gz PUKNAMWTTRXWBF-INIZCTEOSA-N 0 3 315.461 3.369 10 30 DGEEHN C=CCC[C@@H](C(=O)N[C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000249534445 341399020 /nfs/dbraw/zinc/39/90/20/341399020.db2.gz CAUALJYUPFBLQZ-QZTJIDSGSA-N 0 3 300.446 3.337 10 30 DGEEHN C=CCCCCCN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000569116969 341691239 /nfs/dbraw/zinc/69/12/39/341691239.db2.gz KYHMJIKFUKCGSO-INIZCTEOSA-N 0 3 309.475 3.493 10 30 DGEEHN C=C[C@@H](C)[NH2+]Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459443426 534507886 /nfs/dbraw/zinc/50/78/86/534507886.db2.gz NHRLHOJUGBECRD-SECBINFHSA-N 0 3 300.196 3.218 10 30 DGEEHN N#C[C@H]1CCC[C@@H](NCc2ccc(N3CCCCC3=O)cc2)C1 ZINC000185794506 534749227 /nfs/dbraw/zinc/74/92/27/534749227.db2.gz KYWCFXDPBPDPCF-DLBZAZTESA-N 0 3 311.429 3.375 10 30 DGEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1CC(OCC)C1 ZINC000351860835 526349628 /nfs/dbraw/zinc/34/96/28/526349628.db2.gz QKTXCUTVGUKXJG-UHFFFAOYSA-N 0 3 304.390 3.398 10 30 DGEEHN C=CCN[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000429354014 526677483 /nfs/dbraw/zinc/67/74/83/526677483.db2.gz LPAOHBHAEXNLDS-QFBILLFUSA-N 0 3 313.372 3.352 10 30 DGEEHN C=CCOc1ccccc1CN1CCC[C@@H](c2ccnn2C)C1 ZINC000352372104 526932047 /nfs/dbraw/zinc/93/20/47/526932047.db2.gz OBEYTVNPZJGFKI-MRXNPFEDSA-N 0 3 311.429 3.365 10 30 DGEEHN CC(C)(CCC#N)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000360429181 526996092 /nfs/dbraw/zinc/99/60/92/526996092.db2.gz YMPCCIOYSFTNTP-UHFFFAOYSA-N 0 3 313.445 3.342 10 30 DGEEHN C#CCOc1ccc([C@H](C)N[C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178356341 527116346 /nfs/dbraw/zinc/11/63/46/527116346.db2.gz RZDZCOYOLVGZQV-GKCIPKSASA-N 0 3 307.393 3.008 10 30 DGEEHN C=CCCCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000351639588 527159677 /nfs/dbraw/zinc/15/96/77/527159677.db2.gz QJJWVOCARZNDRY-SJORKVTESA-N 0 3 301.434 3.087 10 30 DGEEHN C=CCCCN(C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000346960591 527192890 /nfs/dbraw/zinc/19/28/90/527192890.db2.gz KJZONYMAJBGTBY-SFHVURJKSA-N 0 3 300.446 3.420 10 30 DGEEHN C=CCCC[C@@H](C)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000359509546 527248996 /nfs/dbraw/zinc/24/89/96/527248996.db2.gz RARWCWOMKZVXIT-QGZVFWFLSA-N 0 3 312.461 3.197 10 30 DGEEHN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCNCC1 ZINC000415575130 527259122 /nfs/dbraw/zinc/25/91/22/527259122.db2.gz DWBVAPMTDMJFBL-UHFFFAOYSA-N 0 3 301.434 3.366 10 30 DGEEHN C=C[C@H](CC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000135654770 527572154 /nfs/dbraw/zinc/57/21/54/527572154.db2.gz AYEBZEPXHQIAJQ-JFIYKMOQSA-N 0 3 300.446 3.287 10 30 DGEEHN C=CCOc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000305184163 546443526 /nfs/dbraw/zinc/44/35/26/546443526.db2.gz SVZFWCKCKOYNFX-HXUWFJFHSA-N 0 3 309.409 3.175 10 30 DGEEHN C#CCN(C(=O)NCCN1[C@@H](C)CCC[C@@H]1C)C1CCCCC1 ZINC000730912247 574538357 /nfs/dbraw/zinc/53/83/57/574538357.db2.gz QPLQVOBAAOHXEW-IRXDYDNUSA-N 0 3 319.493 3.227 10 30 DGEEHN C=CCCC(=O)OC[C@@H]1CCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000735902269 574721526 /nfs/dbraw/zinc/72/15/26/574721526.db2.gz DHKHRWYYYFAOHK-MAUKXSAKSA-N 0 3 303.402 3.197 10 30 DGEEHN C#CCCNc1c(C)c(C)nc2ccc(Br)cc21 ZINC000742405595 575840914 /nfs/dbraw/zinc/84/09/14/575840914.db2.gz KMYUHVICUGDJSN-UHFFFAOYSA-N 0 3 303.203 3.471 10 30 DGEEHN C=CCOc1ccc(CNCc2ccnc(-n3ccnc3)c2)cc1 ZINC000236683808 655748309 /nfs/dbraw/zinc/74/83/09/655748309.db2.gz FLKNISSPVJUTHA-UHFFFAOYSA-N 0 3 320.396 3.122 10 30 DGEEHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000158751938 655790627 /nfs/dbraw/zinc/79/06/27/655790627.db2.gz XQUZJIMKJHEURC-BRWVUGGUSA-N 0 3 312.413 3.147 10 30 DGEEHN C#CCN(Cc1cc(=O)oc2cc(OC)ccc12)C1CCCC1 ZINC000155753890 658846516 /nfs/dbraw/zinc/84/65/16/658846516.db2.gz IAKOCODHAZBVCZ-UHFFFAOYSA-N 0 3 311.381 3.179 10 30 DGEEHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000158751810 661877646 /nfs/dbraw/zinc/87/76/46/661877646.db2.gz XQUZJIMKJHEURC-GVDBMIGSSA-N 0 3 312.413 3.147 10 30 DGEEHN C#CCOc1ccc(CN2CCC(OCC(C)C)CC2)cc1 ZINC000092223229 662328533 /nfs/dbraw/zinc/32/85/33/662328533.db2.gz OJJSQKDKTVYMPV-UHFFFAOYSA-N 0 3 301.430 3.336 10 30 DGEEHN CC(C)(C)N1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000123144164 1200275270 /nfs/dbraw/zinc/27/52/70/1200275270.db2.gz TYLZYUFMWSKSFK-UHFFFAOYSA-N 0 3 322.250 3.241 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000129312287 432003450 /nfs/dbraw/zinc/00/34/50/432003450.db2.gz WTUMPQPGWYBPOE-AWEZNQCLSA-N 0 3 300.321 3.233 10 30 DGEEHN CCc1nccn1[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000160002966 529760712 /nfs/dbraw/zinc/76/07/12/529760712.db2.gz HGCWISOXSICKQQ-GOSISDBHSA-N 0 3 311.404 3.273 10 30 DGEEHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1 ZINC000065987103 432013600 /nfs/dbraw/zinc/01/36/00/432013600.db2.gz YHDNOKUGRVTSRK-UHFFFAOYSA-N 0 3 322.412 3.154 10 30 DGEEHN C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000152496385 186079221 /nfs/dbraw/zinc/07/92/21/186079221.db2.gz VCNUXZFLCCCWOF-ZFWWWQNUSA-N 0 3 322.836 3.089 10 30 DGEEHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000189964410 186256244 /nfs/dbraw/zinc/25/62/44/186256244.db2.gz DEXQGYPYZAAZDF-PBHICJAKSA-N 0 3 321.428 3.425 10 30 DGEEHN N#Cc1ccc(CNC[C@H]2CCCCN2Cc2ccccc2)o1 ZINC000174322045 198318863 /nfs/dbraw/zinc/31/88/63/198318863.db2.gz YGUCCPPZWKGKPA-QGZVFWFLSA-N 0 3 309.413 3.296 10 30 DGEEHN COc1ccc(CN[C@@H](C)COCc2ccccc2)cc1C#N ZINC000174619581 198360701 /nfs/dbraw/zinc/36/07/01/198360701.db2.gz UWGRHUNHWWYXDK-HNNXBMFYSA-N 0 3 310.397 3.262 10 30 DGEEHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000294194100 283057988 /nfs/dbraw/zinc/05/79/88/283057988.db2.gz RDRFENQUSOBWLJ-IJLUTSLNSA-N 0 3 312.339 3.300 10 30 DGEEHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000294194098 283058223 /nfs/dbraw/zinc/05/82/23/283058223.db2.gz RDRFENQUSOBWLJ-GRYCIOLGSA-N 0 3 312.339 3.300 10 30 DGEEHN CCCCOC[C@@H](O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195160295 201348952 /nfs/dbraw/zinc/34/89/52/201348952.db2.gz RINAPKVOCJXDGZ-YJBOKZPZSA-N 0 3 304.434 3.119 10 30 DGEEHN CC(C)n1cc(C2=CCCN(Cc3ccc(C#N)cc3)CC2)nn1 ZINC000449476218 240231074 /nfs/dbraw/zinc/23/10/74/240231074.db2.gz ZLXZRHLFRFYQJV-UHFFFAOYSA-N 0 3 321.428 3.410 10 30 DGEEHN C(#Cc1ccccc1)CNC1(Cc2ccccc2)CCOCC1 ZINC000451946141 241281314 /nfs/dbraw/zinc/28/13/14/241281314.db2.gz YOLFYNZEUFNZND-UHFFFAOYSA-N 0 3 305.421 3.420 10 30 DGEEHN C[C@H]1CCN(Cc2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC000093811129 193311526 /nfs/dbraw/zinc/31/15/26/193311526.db2.gz VRRWRZPBFIYCON-INIZCTEOSA-N 0 3 309.413 3.248 10 30 DGEEHN Cc1cc(C#N)cc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000342847045 254064965 /nfs/dbraw/zinc/06/49/65/254064965.db2.gz GOPWYIAZNCTMBL-KSSFIOAISA-N 0 3 306.413 3.194 10 30 DGEEHN COc1ccc(CN(C)CCc2ncc(C)s2)cc1C#N ZINC000157326684 197180075 /nfs/dbraw/zinc/18/00/75/197180075.db2.gz WHUYUJAXQYWTPV-UHFFFAOYSA-N 0 3 301.415 3.006 10 30 DGEEHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@]2(CC=CCC2)C1 ZINC000609625801 400182587 /nfs/dbraw/zinc/18/25/87/400182587.db2.gz CIIIUAOFQLZEEJ-NZSAHSFTSA-N 0 3 317.477 3.252 10 30 DGEEHN CC(C)c1ccc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000070786492 400356960 /nfs/dbraw/zinc/35/69/60/400356960.db2.gz DCTNHDFWKSPJJZ-HUUCEWRRSA-N 0 3 301.434 3.221 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000125380161 400482206 /nfs/dbraw/zinc/48/22/06/400482206.db2.gz WPVWYNJOCZSCRB-GOSISDBHSA-N 0 3 315.461 3.259 10 30 DGEEHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000076574490 400662021 /nfs/dbraw/zinc/66/20/21/400662021.db2.gz FOMHADWWZOFUKW-JKSUJKDBSA-N 0 3 315.461 3.469 10 30 DGEEHN C=CCCCN(C)CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000077176951 400692431 /nfs/dbraw/zinc/69/24/31/400692431.db2.gz ZHOLATGHSMOXAI-UHFFFAOYSA-N 0 3 306.475 3.265 10 30 DGEEHN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(CC(C)C)cc1 ZINC000154322387 400693470 /nfs/dbraw/zinc/69/34/70/400693470.db2.gz DPJYYEAXNIAOSJ-MRXNPFEDSA-N 0 3 315.461 3.298 10 30 DGEEHN CCCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C\c1cccnc1 ZINC000166299739 400753395 /nfs/dbraw/zinc/75/33/95/400753395.db2.gz DCHHBYQJGXSYKG-CYBMUJFWSA-N 0 3 324.495 3.141 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000078533518 400807943 /nfs/dbraw/zinc/80/79/43/400807943.db2.gz VEBPVQGCLZKZSW-UHFFFAOYSA-N 0 3 319.424 3.008 10 30 DGEEHN COc1ccc(NC2CCN(C)CC2)cc1C#C[Si](C)(C)C ZINC000218124578 400951074 /nfs/dbraw/zinc/95/10/74/400951074.db2.gz INICRHHUNJSTIY-UHFFFAOYSA-N 0 3 316.521 3.430 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)c1ccncc1CC)C(C)C ZINC000182510624 400893466 /nfs/dbraw/zinc/89/34/66/400893466.db2.gz LMDHLRWYDUYWSJ-GOSISDBHSA-N 0 3 315.461 3.072 10 30 DGEEHN C=CC[C@H](CO)NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000184288005 400902932 /nfs/dbraw/zinc/90/29/32/400902932.db2.gz PYVWXRMDSDRTPW-GOSISDBHSA-N 0 3 315.388 3.431 10 30 DGEEHN C=CC[C@H](CO)NCc1cccc(OCc2ccccc2F)c1 ZINC000184286069 400903130 /nfs/dbraw/zinc/90/31/30/400903130.db2.gz JTXHNEHHJZTLOY-QGZVFWFLSA-N 0 3 315.388 3.431 10 30 DGEEHN CC#CC[C@H](N)c1cc(Cl)ccc1I ZINC000232563774 400971581 /nfs/dbraw/zinc/97/15/81/400971581.db2.gz XZQRBZLKBAGUKG-NSHDSACASA-N 0 3 319.573 3.358 10 30 DGEEHN CC(C#N)C(=O)c1cc(Cl)ccc1I ZINC000235420833 400976477 /nfs/dbraw/zinc/97/64/77/400976477.db2.gz CPHOUPZREKPJSY-ZCFIWIBFSA-N 0 3 319.529 3.287 10 30 DGEEHN C=CCC1(NCC(=O)Nc2nc3c(s2)CCC3)CCCCC1 ZINC000625935257 401259195 /nfs/dbraw/zinc/25/91/95/401259195.db2.gz SKZQPVQCFAHIMW-UHFFFAOYSA-N 0 3 319.474 3.439 10 30 DGEEHN N#Cc1cccnc1NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000065201897 401259517 /nfs/dbraw/zinc/25/95/17/401259517.db2.gz XWYAMHUNDCQSNW-SFHVURJKSA-N 0 3 306.413 3.420 10 30 DGEEHN C=CCN1CCC(NC(=O)CCc2ccc(C(F)F)cc2)CC1 ZINC000630943098 401357714 /nfs/dbraw/zinc/35/77/14/401357714.db2.gz NRFINFJZXJXQDJ-UHFFFAOYSA-N 0 3 322.399 3.323 10 30 DGEEHN C=CC(C)(C)CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000628316883 401574967 /nfs/dbraw/zinc/57/49/67/401574967.db2.gz MWPQDRJHUVVRTA-QGZVFWFLSA-N 0 3 315.461 3.012 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@H]1Cc2ccccc2CO1 ZINC000623601656 401553906 /nfs/dbraw/zinc/55/39/06/401553906.db2.gz LVABUXWIBRJXPN-IBGZPJMESA-N 0 3 309.409 3.483 10 30 DGEEHN C=C1CC(C)(C(=O)NC[C@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000633043613 401646692 /nfs/dbraw/zinc/64/66/92/401646692.db2.gz QFYJAIPMWUOHCH-OAHLLOKOSA-N 0 3 320.864 3.458 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000624544321 401670161 /nfs/dbraw/zinc/67/01/61/401670161.db2.gz MLHFAPCXDFGVOU-DOTOQJQBSA-N 0 3 305.466 3.001 10 30 DGEEHN N#Cc1ccc([C@H](O)CN2Cc3ccccc3C3(CC3)C2)cc1 ZINC000186151232 165029220 /nfs/dbraw/zinc/02/92/20/165029220.db2.gz VYBBNBGYGXUGBV-LJQANCHMSA-N 0 3 304.393 3.139 10 30 DGEEHN C[C@H](c1cccc(C#N)c1)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000190040401 165188053 /nfs/dbraw/zinc/18/80/53/165188053.db2.gz GIVGHZQFVRKYFY-XWIAVFTESA-N 0 3 312.438 3.389 10 30 DGEEHN N#Cc1ccccc1OCCN1CCC[C@@H](c2nccs2)C1 ZINC000195358659 165366960 /nfs/dbraw/zinc/36/69/60/165366960.db2.gz YICIHGZEVBJYGU-OAHLLOKOSA-N 0 3 313.426 3.273 10 30 DGEEHN N#Cc1ccc(OCCN2CCC[C@H](c3nccs3)C2)cc1 ZINC000195354364 165367969 /nfs/dbraw/zinc/36/79/69/165367969.db2.gz YOOJUQQVEFQISN-HNNXBMFYSA-N 0 3 313.426 3.273 10 30 DGEEHN Fc1ccc(C#CCN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246963975 432184922 /nfs/dbraw/zinc/18/49/22/432184922.db2.gz VBDXVRCSYVBSCH-PXNSSMCTSA-N 0 3 312.432 3.126 10 30 DGEEHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccc(C)o1 ZINC000182570162 432205061 /nfs/dbraw/zinc/20/50/61/432205061.db2.gz ZYCJJORTQOKBSO-ZDUSSCGKSA-N 0 3 300.358 3.198 10 30 DGEEHN N#C[C@@H]1CCC[C@@H](NCc2ccc(N3CCCCC3=O)cc2)C1 ZINC000185794545 228396715 /nfs/dbraw/zinc/39/67/15/228396715.db2.gz KYWCFXDPBPDPCF-IAGOWNOFSA-N 0 3 311.429 3.375 10 30 DGEEHN C[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc(C#N)s1 ZINC000135078330 269880980 /nfs/dbraw/zinc/88/09/80/269880980.db2.gz INIKKBFLYBYXJX-RYUDHWBXSA-N 0 3 316.405 3.083 10 30 DGEEHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCC[C@@H](C)C1 ZINC000358571698 267162681 /nfs/dbraw/zinc/16/26/81/267162681.db2.gz PITFLNSDIJAIRP-KFWWJZLASA-N 0 3 303.425 3.468 10 30 DGEEHN Cc1ccc(CN(C)C)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000531153835 268037271 /nfs/dbraw/zinc/03/72/71/268037271.db2.gz KFNJWTNLXMISKS-UHFFFAOYSA-N 0 3 307.397 3.110 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000295440814 273486696 /nfs/dbraw/zinc/48/66/96/273486696.db2.gz PLFWTNXSDNBFFP-TVQRCGJNSA-N 0 3 314.198 3.102 10 30 DGEEHN C=C(C)CCN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000352423412 277766324 /nfs/dbraw/zinc/76/63/24/277766324.db2.gz XNEZKINDLIANLD-GDBMZVCRSA-N 0 3 310.800 3.307 10 30 DGEEHN C=CCC[C@@H](CN(C)Cc1cnccn1)Oc1ccnc(C)c1 ZINC000072481131 431335550 /nfs/dbraw/zinc/33/55/50/431335550.db2.gz PLBJBCITRJYZSZ-SFHVURJKSA-N 0 3 312.417 3.026 10 30 DGEEHN N#Cc1ccc(OCCCN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114483698 431389776 /nfs/dbraw/zinc/38/97/76/431389776.db2.gz HPZRBLGQHZHASV-SFHVURJKSA-N 0 3 310.401 3.277 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000076734387 431561126 /nfs/dbraw/zinc/56/11/26/431561126.db2.gz PEJNRLVPFZJLMH-AWEZNQCLSA-N 0 3 318.417 3.007 10 30 DGEEHN C=CCOc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000032448607 431779371 /nfs/dbraw/zinc/77/93/71/431779371.db2.gz NOSAEGHLDCGBGC-IBGZPJMESA-N 0 3 324.424 3.284 10 30 DGEEHN Cc1cnn([C@H]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000123014758 431852778 /nfs/dbraw/zinc/85/27/78/431852778.db2.gz ROMXXRKEXKTKDV-WMZOPIPTSA-N 0 3 324.428 3.320 10 30 DGEEHN Cc1ccc(NC(=O)c2ccc(C#N)cc2C)c(CN(C)C)c1 ZINC000123068081 431853957 /nfs/dbraw/zinc/85/39/57/431853957.db2.gz CPFCAVQUPDWLMD-UHFFFAOYSA-N 0 3 307.397 3.489 10 30 DGEEHN C#CCOc1ccccc1CN(C)CCc1ncc(C)s1 ZINC000093807304 431916646 /nfs/dbraw/zinc/91/66/46/431916646.db2.gz AEDZXSPJQFTQOD-UHFFFAOYSA-N 0 3 300.427 3.138 10 30 DGEEHN COc1cc([C@@H](C)NCCOc2ccc(C#N)cc2)ccc1F ZINC000090106846 431889750 /nfs/dbraw/zinc/88/97/50/431889750.db2.gz MJMCKLPNBZUHFZ-CYBMUJFWSA-N 0 3 314.360 3.436 10 30 DGEEHN COc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)c(F)c1 ZINC000090107673 431889854 /nfs/dbraw/zinc/88/98/54/431889854.db2.gz OEAWBQHOZRCCSE-CYBMUJFWSA-N 0 3 314.360 3.436 10 30 DGEEHN N#CC(C(=O)c1ccccc1Br)c1ccccn1 ZINC000046439631 431897098 /nfs/dbraw/zinc/89/70/98/431897098.db2.gz PWZWERFJXTZPIQ-LLVKDONJSA-N 0 3 301.143 3.334 10 30 DGEEHN COc1cc(C#N)ccc1CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000128072230 431987462 /nfs/dbraw/zinc/98/74/62/431987462.db2.gz KSGJZOVJEYSEDQ-DLBZAZTESA-N 0 3 310.401 3.037 10 30 DGEEHN CCN(C[C@H](O)COC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000249739809 432355539 /nfs/dbraw/zinc/35/55/39/432355539.db2.gz HXKSBTCRYDBXBN-PBHICJAKSA-N 0 3 304.434 3.117 10 30 DGEEHN Cc1ccc(O[C@@H](C)CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000174593583 432358577 /nfs/dbraw/zinc/35/85/77/432358577.db2.gz YMIPMRIKCWIVAS-HNNXBMFYSA-N 0 3 320.396 3.072 10 30 DGEEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000176267636 432506333 /nfs/dbraw/zinc/50/63/33/432506333.db2.gz FIUKJFHNMTYJDK-AWEZNQCLSA-N 0 3 320.824 3.160 10 30 DGEEHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000186318021 432581190 /nfs/dbraw/zinc/58/11/90/432581190.db2.gz ITHVTQDDWGJDKQ-OAHLLOKOSA-N 0 3 317.396 3.298 10 30 DGEEHN C=CC[C@H](CO)N[C@H]1CCc2c1cc(Br)cc2F ZINC000273412464 432595242 /nfs/dbraw/zinc/59/52/42/432595242.db2.gz IAZYPYKOUJKWIP-YGRLFVJLSA-N 0 3 314.198 3.102 10 30 DGEEHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2ccccc2C)CC1 ZINC000264355989 432638971 /nfs/dbraw/zinc/63/89/71/432638971.db2.gz NMDYTSDQGBPJAC-INIZCTEOSA-N 0 3 315.461 3.348 10 30 DGEEHN CC(C)N(CCOc1ccccc1C#N)CCc1nccs1 ZINC000159886967 432699073 /nfs/dbraw/zinc/69/90/73/432699073.db2.gz DBQLLHBSMDXWSD-UHFFFAOYSA-N 0 3 315.442 3.347 10 30 DGEEHN C=CCC[C@H](C(=O)N[C@H]1CCCN(CC)C1)c1ccccc1 ZINC000189200781 432770252 /nfs/dbraw/zinc/77/02/52/432770252.db2.gz CAUALJYUPFBLQZ-ROUUACIJSA-N 0 3 300.446 3.337 10 30 DGEEHN C=CCC[C@H](C(=O)N[C@@H]1CCCN(CC)C1)c1ccccc1 ZINC000189200804 432770761 /nfs/dbraw/zinc/77/07/61/432770761.db2.gz CAUALJYUPFBLQZ-MSOLQXFVSA-N 0 3 300.446 3.337 10 30 DGEEHN C#CCC(CC#C)C(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000288413064 432891888 /nfs/dbraw/zinc/89/18/88/432891888.db2.gz ZTPRIHKPQRZZDY-UHFFFAOYSA-N 0 3 308.425 3.192 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000330272739 432902257 /nfs/dbraw/zinc/90/22/57/432902257.db2.gz YBNJWRDYMGCSLI-ULKVUYOBSA-N 0 3 310.344 3.098 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)C[C@@H]2C)CC1 ZINC000372969303 433068897 /nfs/dbraw/zinc/06/88/97/433068897.db2.gz WTDPBEFITARIQZ-HNNXBMFYSA-N 0 3 305.466 3.001 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000425357172 433195263 /nfs/dbraw/zinc/19/52/63/433195263.db2.gz RIDMGMXJZGLFKM-JSGCOSHPSA-N 0 3 311.809 3.125 10 30 DGEEHN C=CCCCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000448028514 433352670 /nfs/dbraw/zinc/35/26/70/433352670.db2.gz DDJZTUYWHHFBDF-HOCLYGCPSA-N 0 3 321.490 3.396 10 30 DGEEHN C=CCCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000448032555 433357166 /nfs/dbraw/zinc/35/71/66/433357166.db2.gz VXUPVUBTLBJLKN-KRWDZBQOSA-N 0 3 301.434 3.089 10 30 DGEEHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000425982953 433396017 /nfs/dbraw/zinc/39/60/17/433396017.db2.gz YVNMDYISZVDORE-KZNAEPCWSA-N 0 3 313.445 3.182 10 30 DGEEHN N#Cc1ccc(N2CCN3CCCC[C@H]3C2)cc1C(F)(F)F ZINC000301225177 433460410 /nfs/dbraw/zinc/46/04/10/433460410.db2.gz FTIOZKIMESHNBL-AWEZNQCLSA-N 0 3 309.335 3.252 10 30 DGEEHN C#CCC(C)(C)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000376956288 433840836 /nfs/dbraw/zinc/84/08/36/433840836.db2.gz RHOISSSKXYIBKQ-QGZVFWFLSA-N 0 3 312.457 3.159 10 30 DGEEHN C=C(C)CN1CCC(Nc2ccnc3cc(F)cnc32)CC1 ZINC000286081652 434157207 /nfs/dbraw/zinc/15/72/07/434157207.db2.gz AGZOEHYBSMRICK-UHFFFAOYSA-N 0 3 300.381 3.221 10 30 DGEEHN C=CC[C@H](CC)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000346178574 434172615 /nfs/dbraw/zinc/17/26/15/434172615.db2.gz QINSWFLEOJZXFQ-YESZJQIVSA-N 0 3 301.434 3.086 10 30 DGEEHN CC(=O)Nc1ccn([C@H]2CCN(CCc3ccccc3F)C2)n1 ZINC000328617273 434291677 /nfs/dbraw/zinc/29/16/77/434291677.db2.gz CPRNITDGFNUCSH-HNNXBMFYSA-N 0 3 316.380 3.120 10 30 DGEEHN CCCCO[C@@H](C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328622570 434291913 /nfs/dbraw/zinc/29/19/13/434291913.db2.gz IMECHOOBCIWSMM-XIRDDKMYSA-N 0 3 319.449 3.236 10 30 DGEEHN Cc1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C)o1 ZINC000328627720 434293584 /nfs/dbraw/zinc/29/35/84/434293584.db2.gz MZQCTAFWHAYOAD-RDJZCZTQSA-N 0 3 313.401 3.289 10 30 DGEEHN CC(=O)[C@@](C)(O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450710636 434355867 /nfs/dbraw/zinc/35/58/67/434355867.db2.gz CVNSNORBDQZULM-VLIAUNLRSA-N 0 3 322.408 3.216 10 30 DGEEHN CC(=O)[C@@](C)(O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450710637 434357621 /nfs/dbraw/zinc/35/76/21/434357621.db2.gz CVNSNORBDQZULM-XOBRGWDASA-N 0 3 322.408 3.216 10 30 DGEEHN C[C@@H]1CC[C@@]2(CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000366342597 434392158 /nfs/dbraw/zinc/39/21/58/434392158.db2.gz OOLWVZVKEYFOPM-MOXGXCLJSA-N 0 3 321.424 3.279 10 30 DGEEHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H](O)Cc1ccccc1 ZINC000358561660 434395395 /nfs/dbraw/zinc/39/53/95/434395395.db2.gz SNAQWSKFMOJSIK-IQUTYRLHSA-N 0 3 312.388 3.340 10 30 DGEEHN Cc1cc(C(F)(F)F)c(C#N)c(SC[C@@H](C)N(C)C)n1 ZINC000358857516 434408639 /nfs/dbraw/zinc/40/86/39/434408639.db2.gz ZTDHBFRCMJNMMH-SECBINFHSA-N 0 3 303.353 3.323 10 30 DGEEHN C=CCOc1ccccc1C(=O)NC[C@H](N)c1ccccc1CC ZINC000423955858 434587799 /nfs/dbraw/zinc/58/77/99/434587799.db2.gz CLXVSCGIXYNYQP-SFHVURJKSA-N 0 3 324.424 3.244 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1sccc1Br ZINC000424170177 434645257 /nfs/dbraw/zinc/64/52/57/434645257.db2.gz IXNOFSWKRKKOAA-ONGXEEELSA-N 0 3 302.237 3.191 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1c(F)cccc1N1CCCC1 ZINC000424172311 434644439 /nfs/dbraw/zinc/64/44/39/434644439.db2.gz LPDSNYANQDQBBB-KSSFIOAISA-N 0 3 304.409 3.107 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000412043185 434861678 /nfs/dbraw/zinc/86/16/78/434861678.db2.gz PMQQOLSJUADGJU-HKUYNNGSSA-N 0 3 316.420 3.028 10 30 DGEEHN C=CCC1(C(=O)Nc2ccc(CN(C)C)cc2F)CCOCC1 ZINC000424875885 434823677 /nfs/dbraw/zinc/82/36/77/434823677.db2.gz GVWAMVRCSZEUPJ-UHFFFAOYSA-N 0 3 320.408 3.199 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@H]1c2ccccc2C(=O)N1C ZINC000527804578 435015634 /nfs/dbraw/zinc/01/56/34/435015634.db2.gz FUEQGWPDFRJCDK-GOSISDBHSA-N 0 3 322.408 3.168 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@H]1CCN1C1CCCC1 ZINC000527807063 435015854 /nfs/dbraw/zinc/01/58/54/435015854.db2.gz LUIQOMJKQSTJMA-SFHVURJKSA-N 0 3 300.446 3.358 10 30 DGEEHN C=CCc1cc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc(OC)c1O ZINC000527804174 435016126 /nfs/dbraw/zinc/01/61/26/435016126.db2.gz NINAYEULXXXQKU-MRHIQRDNSA-N 0 3 305.418 3.031 10 30 DGEEHN C=CCOc1ccccc1CN[C@H](CO)Cc1ccc(C)cc1 ZINC000466917034 435099071 /nfs/dbraw/zinc/09/90/71/435099071.db2.gz MCXCUNCTQUKEQE-IBGZPJMESA-N 0 3 311.425 3.253 10 30 DGEEHN C=CCCN(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000467011685 435104607 /nfs/dbraw/zinc/10/46/07/435104607.db2.gz BEPRZOZLHRDGLU-GOSISDBHSA-N 0 3 315.461 3.259 10 30 DGEEHN C=CCCCCCNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000568245786 435414715 /nfs/dbraw/zinc/41/47/15/435414715.db2.gz YHMSWUGUGVXXHV-QGZVFWFLSA-N 0 3 301.434 3.001 10 30 DGEEHN C=CCCCN(C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000537517777 435446023 /nfs/dbraw/zinc/44/60/23/435446023.db2.gz UBOFPJAULHOXRJ-HNNXBMFYSA-N 0 3 310.800 3.482 10 30 DGEEHN C=CCN(CCc1ccco1)C[C@H](O)COc1ccc(C)cc1 ZINC000537613873 435454704 /nfs/dbraw/zinc/45/47/04/435454704.db2.gz PCFCRKDIXRUDQD-KRWDZBQOSA-N 0 3 315.413 3.058 10 30 DGEEHN Cc1ncc2c(n1)CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C2 ZINC000540976243 313991030 /nfs/dbraw/zinc/99/10/30/313991030.db2.gz CDBZVKGYNIECTG-XHDPSFHLSA-N 0 3 310.376 3.004 10 30 DGEEHN COc1ccccc1OCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000540976225 313991302 /nfs/dbraw/zinc/99/13/02/313991302.db2.gz XTCOPSSKTBSJPG-ZDUSSCGKSA-N 0 3 314.360 3.436 10 30 DGEEHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000101583041 334332048 /nfs/dbraw/zinc/33/20/48/334332048.db2.gz IRGRKKOIDODMDR-HZPDHXFCSA-N 0 3 318.461 3.453 10 30 DGEEHN C=CCOc1ccccc1CN1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000499255733 340033488 /nfs/dbraw/zinc/03/34/88/340033488.db2.gz ZEFOQCXLAXHWBI-IAGOWNOFSA-N 0 3 303.446 3.480 10 30 DGEEHN C=CCCc1ccccc1NC(=O)NCCN(CC)C1CC1 ZINC000505034095 340159521 /nfs/dbraw/zinc/15/95/21/340159521.db2.gz AKJNRFUGXKDXIP-UHFFFAOYSA-N 0 3 301.434 3.411 10 30 DGEEHN Cc1nc(C(C#N)C(=O)Nc2cc(C)ccc2F)sc1C ZINC000505755130 340176717 /nfs/dbraw/zinc/17/67/17/340176717.db2.gz CIWVZSHUPOPASS-NSHDSACASA-N 0 3 303.362 3.453 10 30 DGEEHN C=CCCC(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000126929279 340839820 /nfs/dbraw/zinc/83/98/20/340839820.db2.gz RNMCBWGVVIWFSJ-UHFFFAOYSA-N 0 3 302.418 3.090 10 30 DGEEHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@H]1CC=CCC1 ZINC000542248771 341001862 /nfs/dbraw/zinc/00/18/62/341001862.db2.gz WQGZDCYUPTUBOS-CVEARBPZSA-N 0 3 303.450 3.006 10 30 DGEEHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@H]1CC=CCC1 ZINC000542248777 341001957 /nfs/dbraw/zinc/00/19/57/341001957.db2.gz WQGZDCYUPTUBOS-HOTGVXAUSA-N 0 3 303.450 3.006 10 30 DGEEHN C=CCOc1ccccc1CNC[C@H](O)CCc1ccccc1 ZINC000544180247 341073204 /nfs/dbraw/zinc/07/32/04/341073204.db2.gz DJBNFICFIGYWBO-LJQANCHMSA-N 0 3 311.425 3.335 10 30 DGEEHN C=CCC[C@@H](C(=O)N[C@H]1CCCN(CC)C1)c1ccccc1 ZINC000249534447 341398989 /nfs/dbraw/zinc/39/89/89/341398989.db2.gz CAUALJYUPFBLQZ-ZWKOTPCHSA-N 0 3 300.446 3.337 10 30 DGEEHN C=CCOc1ccccc1CN1CCC(CCC(=O)OC)CC1 ZINC000093341519 341468525 /nfs/dbraw/zinc/46/85/25/341468525.db2.gz SQLDGSPPFYIQKJ-UHFFFAOYSA-N 0 3 317.429 3.417 10 30 DGEEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000180125137 534781487 /nfs/dbraw/zinc/78/14/87/534781487.db2.gz CXNAKRDECKAQOZ-YJBOKZPZSA-N 0 3 324.428 3.147 10 30 DGEEHN C=CCOc1ccc(CN2CCC[C@@]3(CCOC3)C2)cc1OC ZINC000449681302 534882481 /nfs/dbraw/zinc/88/24/81/534882481.db2.gz DNQUKZVSXZJBMG-LJQANCHMSA-N 0 3 317.429 3.263 10 30 DGEEHN C=CCN(CCN1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000354245934 526276154 /nfs/dbraw/zinc/27/61/54/526276154.db2.gz XFQGOGCKKDSWPX-UHFFFAOYSA-N 0 3 303.406 3.069 10 30 DGEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@H](C)C1 ZINC000352691732 526349420 /nfs/dbraw/zinc/34/94/20/526349420.db2.gz NDXZSUOLZPZXQE-GDBMZVCRSA-N 0 3 304.390 3.398 10 30 DGEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@@H](C)C1 ZINC000352691735 526350069 /nfs/dbraw/zinc/35/00/69/526350069.db2.gz NDXZSUOLZPZXQE-HOCLYGCPSA-N 0 3 304.390 3.398 10 30 DGEEHN C=CCOc1ccc(CN2CCC3(C[C@H]3C(=O)OC)CC2)cc1 ZINC000353900142 526864747 /nfs/dbraw/zinc/86/47/47/526864747.db2.gz NZXGAIQJOARVON-KRWDZBQOSA-N 0 3 315.413 3.027 10 30 DGEEHN C=CCn1c(SC[C@@H](C)N(C)C)nnc1-c1cccs1 ZINC000358802948 527340114 /nfs/dbraw/zinc/34/01/14/527340114.db2.gz QQXRPLPFRSYZRH-LLVKDONJSA-N 0 3 308.476 3.235 10 30 DGEEHN C=CCC[C@H](NC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000159125668 527478858 /nfs/dbraw/zinc/47/88/58/527478858.db2.gz ZBKNKXKUUBTZPX-IRXDYDNUSA-N 0 3 301.434 3.087 10 30 DGEEHN C=CCN(CC(F)(F)F)C(=O)C(C#N)CCc1ccccc1 ZINC000433316177 527586392 /nfs/dbraw/zinc/58/63/92/527586392.db2.gz FCDOMXKNJJWXQR-AWEZNQCLSA-N 0 3 310.319 3.336 10 30 DGEEHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc2ccccc2c1 ZINC000181494480 528697384 /nfs/dbraw/zinc/69/73/84/528697384.db2.gz CXXCZRGDALDAID-CVEARBPZSA-N 0 3 323.440 3.499 10 30 DGEEHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]CC2CCCC2)C1 ZINC000329579021 546487488 /nfs/dbraw/zinc/48/74/88/546487488.db2.gz KRQJYRKOVZCCRW-OAHLLOKOSA-N 0 3 304.438 3.187 10 30 DGEEHN C=C(C)CN1CCC(NC(=S)Nc2ccccc2C)CC1 ZINC000729942328 575267527 /nfs/dbraw/zinc/26/75/27/575267527.db2.gz KBWJRTFWLHBOFO-UHFFFAOYSA-N 0 3 303.475 3.322 10 30 DGEEHN C[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)OC(C)(C)C ZINC000700757453 660632953 /nfs/dbraw/zinc/63/29/53/660632953.db2.gz SGLDKAWAIFOENF-RISCZKNCSA-N 0 3 321.446 3.107 10 30 DGEEHN C#CC[C@@H](COC)NCc1ccc(SC(F)(F)F)cc1 ZINC000716802300 661229540 /nfs/dbraw/zinc/22/95/40/661229540.db2.gz XZQJIASKJMCZLA-LBPRGKRZSA-N 0 3 303.349 3.426 10 30 DGEEHN N#CC(C(=O)C[C@@H]1CCCc2ccccc21)C(=O)NC1CCCC1 ZINC000171777061 659297931 /nfs/dbraw/zinc/29/79/31/659297931.db2.gz GCOMUGTYJZICFX-YJBOKZPZSA-N 0 3 324.424 3.264 10 30 DGEEHN CC[C@H](NCC(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000184052505 529587479 /nfs/dbraw/zinc/58/74/79/529587479.db2.gz IZXQJXBSHOTWAE-ZDUSSCGKSA-N 0 3 305.447 3.131 10 30 DGEEHN COc1ccc(Oc2ncccc2C#N)cc1CN1CCCC1 ZINC000067434556 432030800 /nfs/dbraw/zinc/03/08/00/432030800.db2.gz TZSDQQLGXNSZCO-UHFFFAOYSA-N 0 3 309.369 3.350 10 30 DGEEHN C=CCCCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474072372 244367120 /nfs/dbraw/zinc/36/71/20/244367120.db2.gz IDMYYQRDWLRJKC-GOSISDBHSA-N 0 3 315.461 3.259 10 30 DGEEHN C[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccc(C#N)o1 ZINC000093611351 193273904 /nfs/dbraw/zinc/27/39/04/193273904.db2.gz VXRGLIFHDBTPHU-INIZCTEOSA-N 0 3 309.413 3.248 10 30 DGEEHN CCSCC[C@@H](C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000093870924 193321617 /nfs/dbraw/zinc/32/16/17/193321617.db2.gz QLSXSYOLFLXGNC-CYBMUJFWSA-N 0 3 302.447 3.169 10 30 DGEEHN C=CCC[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000246368791 432123289 /nfs/dbraw/zinc/12/32/89/432123289.db2.gz ZBKNKXKUUBTZPX-DLBZAZTESA-N 0 3 301.434 3.087 10 30 DGEEHN C=CCCCN(CCO)Cc1cc(Br)cs1 ZINC000494286037 246131952 /nfs/dbraw/zinc/13/19/52/246131952.db2.gz VVSTXMXAHFCGED-UHFFFAOYSA-N 0 3 304.253 3.271 10 30 DGEEHN N#Cc1ccc(O[C@@H](CN)c2ccc(Br)cc2)cc1 ZINC000042956875 183322764 /nfs/dbraw/zinc/32/27/64/183322764.db2.gz LSACSUUXWSIEFB-HNNXBMFYSA-N 0 3 317.186 3.400 10 30 DGEEHN N#Cc1ccc(NCCCNCc2cccnc2)cc1Cl ZINC000063197159 184278069 /nfs/dbraw/zinc/27/80/69/184278069.db2.gz RIORDZLGWIXHTN-UHFFFAOYSA-N 0 3 300.793 3.198 10 30 DGEEHN CCOCCN1CCN([C@H](C)c2cccc(C#N)c2)C[C@@H]1CC ZINC000249264329 285065232 /nfs/dbraw/zinc/06/52/32/285065232.db2.gz IMOYDXHVQMQJGL-APWZRJJASA-N 0 3 315.461 3.052 10 30 DGEEHN COc1cc(C#N)ccc1CN(CCc1nccs1)C(C)C ZINC000121586968 195311567 /nfs/dbraw/zinc/31/15/67/195311567.db2.gz GRMFIFOIKGVIDL-UHFFFAOYSA-N 0 3 315.442 3.476 10 30 DGEEHN C=C[C@@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617011930 400274264 /nfs/dbraw/zinc/27/42/64/400274264.db2.gz PJCFSUAVDKUBSF-DOTOQJQBSA-N 0 3 300.446 3.335 10 30 DGEEHN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000047454174 400617756 /nfs/dbraw/zinc/61/77/56/400617756.db2.gz IZDZNGBBGKZOLW-AWEZNQCLSA-N 0 3 323.396 3.026 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000076952773 400681753 /nfs/dbraw/zinc/68/17/53/400681753.db2.gz DJNZECSKBLDOHY-WMZOPIPTSA-N 0 3 315.461 3.430 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)c2cccc3cccc(O)c32)CC1 ZINC000630943155 401357453 /nfs/dbraw/zinc/35/74/53/401357453.db2.gz OLQJDAUKZRCCAS-UHFFFAOYSA-N 0 3 324.424 3.316 10 30 DGEEHN C=CC[C@@H](CO)NCc1cccc(Br)c1Cl ZINC000631111254 401398044 /nfs/dbraw/zinc/39/80/44/401398044.db2.gz NOZHQTYXTFMGMI-JTQLQIEISA-N 0 3 304.615 3.129 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1cc(OC)c(OC)cc1Cl ZINC000631162337 401412096 /nfs/dbraw/zinc/41/20/96/401412096.db2.gz VNNBAMHRJOCCQM-FZMZJTMJSA-N 0 3 311.809 3.038 10 30 DGEEHN C=CCOc1c(Cl)cc(CN[C@H](C)C(C)(C)O)cc1OC ZINC000623395346 401507322 /nfs/dbraw/zinc/50/73/22/401507322.db2.gz IHRPOUNKGNHTBW-LLVKDONJSA-N 0 3 313.825 3.162 10 30 DGEEHN C=CCOc1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1Cl ZINC000628461283 401601241 /nfs/dbraw/zinc/60/12/41/401601241.db2.gz RTIZBEXGMIIKRO-MAUKXSAKSA-N 0 3 321.848 3.499 10 30 DGEEHN C=CC(C)(C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000623814151 401582364 /nfs/dbraw/zinc/58/23/64/401582364.db2.gz BMHQRPKAWYFTHV-IAGOWNOFSA-N 0 3 315.461 3.333 10 30 DGEEHN C=CCCC(C)(C)CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000632951769 401641410 /nfs/dbraw/zinc/64/14/10/401641410.db2.gz QSFKPQNZKCDQKK-UHFFFAOYSA-N 0 3 317.433 3.283 10 30 DGEEHN C=C1CC(C)(C(=O)N2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000632999457 401645016 /nfs/dbraw/zinc/64/50/16/401645016.db2.gz ZAQDOJDUMFWJGR-UHFFFAOYSA-N 0 3 321.424 3.240 10 30 DGEEHN C=CC(C)(C)CCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000624038107 401616868 /nfs/dbraw/zinc/61/68/68/401616868.db2.gz RLDKVUXRWVCXLB-AWEZNQCLSA-N 0 3 311.422 3.236 10 30 DGEEHN C=CCCCCCN(C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000150881701 432198951 /nfs/dbraw/zinc/19/89/51/432198951.db2.gz CUZFTRAPIHHXLS-AWEZNQCLSA-N 0 3 320.399 3.466 10 30 DGEEHN C[C@H](NCCCOCC1CCOCC1)c1ccc(C#N)cc1F ZINC000358568152 267181675 /nfs/dbraw/zinc/18/16/75/267181675.db2.gz FNBTVEKSPCQUHC-AWEZNQCLSA-N 0 3 320.408 3.181 10 30 DGEEHN N#Cc1ccsc1C(=O)NC[C@H]1CCCN1C1CCCCC1 ZINC000366750629 268302660 /nfs/dbraw/zinc/30/26/60/268302660.db2.gz XJFCMPZUYJNXNU-OAHLLOKOSA-N 0 3 317.458 3.147 10 30 DGEEHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1c1ccco1 ZINC000116289583 431498675 /nfs/dbraw/zinc/49/86/75/431498675.db2.gz DZIXXFURIDJGEW-INIZCTEOSA-N 0 3 309.369 3.317 10 30 DGEEHN C=CCCCN(C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000076734261 431560883 /nfs/dbraw/zinc/56/08/83/431560883.db2.gz WNLMSCTVKLNJAN-CYBMUJFWSA-N 0 3 310.388 3.382 10 30 DGEEHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Cc2nccn2C)CC1 ZINC000118398401 431603559 /nfs/dbraw/zinc/60/35/59/431603559.db2.gz NGFAFHUPFBZBDV-HNNXBMFYSA-N 0 3 308.429 3.307 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000119282364 431670311 /nfs/dbraw/zinc/67/03/11/431670311.db2.gz VGTQDXGHBMKMLA-MSOLQXFVSA-N 0 3 304.478 3.360 10 30 DGEEHN C=CCOc1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)cc1 ZINC000121185669 431750468 /nfs/dbraw/zinc/75/04/68/431750468.db2.gz YNGRACPGVROWKC-UHFFFAOYSA-N 0 3 318.461 3.282 10 30 DGEEHN C#CCOc1ccc(CN2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000122786026 431844196 /nfs/dbraw/zinc/84/41/96/431844196.db2.gz CSEMBJLATBYBPC-IBGZPJMESA-N 0 3 323.440 3.386 10 30 DGEEHN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000041480275 431859206 /nfs/dbraw/zinc/85/92/06/431859206.db2.gz MXVNDKLQZSJNPN-WQVCFCJDSA-N 0 3 319.364 3.166 10 30 DGEEHN CN(CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000041888302 431861320 /nfs/dbraw/zinc/86/13/20/431861320.db2.gz WJUZLLYOIUWDGP-UHFFFAOYSA-N 0 3 311.360 3.158 10 30 DGEEHN C#CCCOc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810878 431911467 /nfs/dbraw/zinc/91/14/67/431911467.db2.gz BJRVGLAHLLSMAQ-UHFFFAOYSA-N 0 3 309.413 3.191 10 30 DGEEHN N#Cc1ccc2ncc(CNCCOC3CCCCCC3)n2c1 ZINC000123822300 431874854 /nfs/dbraw/zinc/87/48/54/431874854.db2.gz MAFBEYWIFVRJMY-UHFFFAOYSA-N 0 3 312.417 3.035 10 30 DGEEHN N#Cc1cccc(OCCCN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000127700963 431978254 /nfs/dbraw/zinc/97/82/54/431978254.db2.gz PDPQTQIVYNKLHO-SFHVURJKSA-N 0 3 310.401 3.277 10 30 DGEEHN COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000151863303 432283198 /nfs/dbraw/zinc/28/31/98/432283198.db2.gz IBOKRHXXHADKSC-QAPCUYQASA-N 0 3 321.424 3.496 10 30 DGEEHN C=C[C@H](CC(=O)NCCN1CCCC[C@@H]1C)c1ccccc1 ZINC000153676303 432431324 /nfs/dbraw/zinc/43/13/24/432431324.db2.gz ABNMOKYNDOGEMF-DLBZAZTESA-N 0 3 300.446 3.337 10 30 DGEEHN Cc1cccc(N2CCC(NCc3ccc(C#N)s3)CC2)n1 ZINC000176971507 432571010 /nfs/dbraw/zinc/57/10/10/432571010.db2.gz AUXZAIICMIKXLJ-UHFFFAOYSA-N 0 3 312.442 3.082 10 30 DGEEHN C[C@H](CCNCc1ccc(C#N)s1)NC(=O)OC(C)(C)C ZINC000176964313 432571309 /nfs/dbraw/zinc/57/13/09/432571309.db2.gz PQRYLBNBPFMNJE-LLVKDONJSA-N 0 3 309.435 3.013 10 30 DGEEHN C=C(C)CNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000156502174 432598765 /nfs/dbraw/zinc/59/87/65/432598765.db2.gz SVTMELJSYHDLQL-UHFFFAOYSA-N 0 3 301.434 3.048 10 30 DGEEHN COc1ccccc1CCN(C)Cc1cc(C#N)ccc1OC ZINC000159860541 432698778 /nfs/dbraw/zinc/69/87/78/432698778.db2.gz NKVZBVKJHRVJLA-UHFFFAOYSA-N 0 3 310.397 3.250 10 30 DGEEHN CN1CCC(Oc2ccc(NCc3cccc(C#N)c3)cn2)CC1 ZINC000160142256 432708699 /nfs/dbraw/zinc/70/86/99/432708699.db2.gz BSJJGAVKWUKHHR-UHFFFAOYSA-N 0 3 322.412 3.038 10 30 DGEEHN C=C[C@H](CC(=O)N[C@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000160246990 432712683 /nfs/dbraw/zinc/71/26/83/432712683.db2.gz DWROFNNPOSSKRN-SJLPKXTDSA-N 0 3 302.462 3.439 10 30 DGEEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000162922194 432837584 /nfs/dbraw/zinc/83/75/84/432837584.db2.gz UHTJOEOZNFTHLQ-XJKSGUPXSA-N 0 3 303.837 3.270 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000162048751 432811085 /nfs/dbraw/zinc/81/10/85/432811085.db2.gz JAOLCJXXDAPYRD-UHFFFAOYSA-N 0 3 323.396 3.059 10 30 DGEEHN C=CCc1cc(CNC[C@H]2CCC(C)(C)O2)cc(OC)c1O ZINC000189721274 432814099 /nfs/dbraw/zinc/81/40/99/432814099.db2.gz HRCODFMJMOZXAC-OAHLLOKOSA-N 0 3 305.418 3.177 10 30 DGEEHN CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245659604 432854534 /nfs/dbraw/zinc/85/45/34/432854534.db2.gz PJOFTVDUSMKQJX-QZTJIDSGSA-N 0 3 320.396 3.125 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000163533369 432855640 /nfs/dbraw/zinc/85/56/40/432855640.db2.gz PLJTVDHXSQHFKC-UHFFFAOYSA-N 0 3 321.424 3.071 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000330269145 432900788 /nfs/dbraw/zinc/90/07/88/432900788.db2.gz RSLNMWACECQGSQ-JBCWJZNQSA-N 0 3 310.344 3.098 10 30 DGEEHN Cc1ccc(C)c(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)c1 ZINC000330258840 432901219 /nfs/dbraw/zinc/90/12/19/432901219.db2.gz MUKWMIAOWZYDEV-QRTARXTBSA-N 0 3 302.418 3.437 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000330272736 432902072 /nfs/dbraw/zinc/90/20/72/432902072.db2.gz YBNJWRDYMGCSLI-AMFBXLIHSA-N 0 3 310.344 3.098 10 30 DGEEHN C=C(C)C[C@@H](C)c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000289951934 432980634 /nfs/dbraw/zinc/98/06/34/432980634.db2.gz BLYUXEHAJUJDLC-CYBMUJFWSA-N 0 3 316.405 3.142 10 30 DGEEHN C=C(C)COc1cc(CN(CC)[C@H]2CCOC2)ccc1OC ZINC000361251629 433059099 /nfs/dbraw/zinc/05/90/99/433059099.db2.gz MUJFOGMLZKYXPM-INIZCTEOSA-N 0 3 305.418 3.261 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)C[C@H]2C)CC1 ZINC000372969304 433070997 /nfs/dbraw/zinc/07/09/97/433070997.db2.gz WTDPBEFITARIQZ-OAHLLOKOSA-N 0 3 305.466 3.001 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@](C)(c2ccccc2)C1 ZINC000446711496 433083069 /nfs/dbraw/zinc/08/30/69/433083069.db2.gz MRJDKPJYXMTJMQ-XLIONFOSSA-N 0 3 312.457 3.239 10 30 DGEEHN COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1OC(F)F ZINC000185770852 533692533 /nfs/dbraw/zinc/69/25/33/533692533.db2.gz GTBLUGKTYYKDHR-WCQYABFASA-N 0 3 310.344 3.469 10 30 DGEEHN C=CCC[C@@H](CO)N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453352109 433114079 /nfs/dbraw/zinc/11/40/79/433114079.db2.gz KVXXRYHFZADFAR-YJBOKZPZSA-N 0 3 311.429 3.166 10 30 DGEEHN CN(c1cccc(F)c1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336658676 433173020 /nfs/dbraw/zinc/17/30/20/433173020.db2.gz SCQRMWOWVPLUDY-INIZCTEOSA-N 0 3 309.388 3.408 10 30 DGEEHN C=CCOc1ccc(CN(C(C)C)[C@@H]2CCOC2)cc1OC ZINC000291366436 433233414 /nfs/dbraw/zinc/23/34/14/433233414.db2.gz YYCAUFMLFQPAKB-MRXNPFEDSA-N 0 3 305.418 3.259 10 30 DGEEHN CC[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447584890 433236082 /nfs/dbraw/zinc/23/60/82/433236082.db2.gz HIDNGAKWVQLNDZ-MOPGFXCFSA-N 0 3 319.408 3.404 10 30 DGEEHN C[C@@H](NC[C@H]1CCCCN1C1CC1)c1ccc(C#N)cc1F ZINC000447600483 433245969 /nfs/dbraw/zinc/24/59/69/433245969.db2.gz MGWNNLHOUNUMFY-CZUORRHYSA-N 0 3 301.409 3.365 10 30 DGEEHN C=C(CC)CNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000454196449 433318141 /nfs/dbraw/zinc/31/81/41/433318141.db2.gz QIXCVCKSFVOWSK-UHFFFAOYSA-N 0 3 315.461 3.438 10 30 DGEEHN C=CCc1cc(CN2CC[C@]3(C2)CCCOC3)cc(OC)c1O ZINC000375300375 433419108 /nfs/dbraw/zinc/41/91/08/433419108.db2.gz AGVMPPLZZJOHNC-IBGZPJMESA-N 0 3 317.429 3.132 10 30 DGEEHN C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000448809607 433562526 /nfs/dbraw/zinc/56/25/26/433562526.db2.gz JSJQQENAEGAIFY-KRWDZBQOSA-N 0 3 300.446 3.370 10 30 DGEEHN C=CCC(C)(C)CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000432074351 433821459 /nfs/dbraw/zinc/82/14/59/433821459.db2.gz BTOJAUKMQNURQG-IRXDYDNUSA-N 0 3 315.461 3.333 10 30 DGEEHN C=CCCC[C@@H](C)NC(=O)CCN1CCc2ccccc2C1 ZINC000416192198 434053271 /nfs/dbraw/zinc/05/32/71/434053271.db2.gz QAMNPIQZDIPNLH-MRXNPFEDSA-N 0 3 300.446 3.296 10 30 DGEEHN C=CCOc1ccccc1CN[C@H]1CC[C@@H](C(=O)OCC)C1 ZINC000437345716 434251705 /nfs/dbraw/zinc/25/17/05/434251705.db2.gz PQNBTJBSTQGZTJ-ZBFHGGJFSA-N 0 3 303.402 3.073 10 30 DGEEHN Cc1cscc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328622654 434291126 /nfs/dbraw/zinc/29/11/26/434291126.db2.gz IPDVDWXEWTXJMW-HOCLYGCPSA-N 0 3 315.442 3.449 10 30 DGEEHN Cc1ccsc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328630157 434293650 /nfs/dbraw/zinc/29/36/50/434293650.db2.gz PNTFRDYHOQNVFK-GJZGRUSLSA-N 0 3 315.442 3.449 10 30 DGEEHN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H]1CCCCN1C1CC1 ZINC000328775823 434310397 /nfs/dbraw/zinc/31/03/97/434310397.db2.gz IAFYTVGDLFIRLL-ZFWWWQNUSA-N 0 3 307.438 3.249 10 30 DGEEHN C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328907518 434324519 /nfs/dbraw/zinc/32/45/19/434324519.db2.gz LNTRJZLLWVUZFS-ABYLEIOUSA-N 0 3 307.438 3.009 10 30 DGEEHN C=CC(C)(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000450788178 434407383 /nfs/dbraw/zinc/40/73/83/434407383.db2.gz CVHYJTCBYCXSCP-IBGZPJMESA-N 0 3 300.446 3.370 10 30 DGEEHN C#CCCCCC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000367376053 434548787 /nfs/dbraw/zinc/54/87/87/434548787.db2.gz AMOBMQABGLQAMM-GOSISDBHSA-N 0 3 312.457 3.303 10 30 DGEEHN C[C@H](O)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000438984169 434552969 /nfs/dbraw/zinc/55/29/69/434552969.db2.gz JRWFIPLWNVTVEX-HNNXBMFYSA-N 0 3 312.388 3.470 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ncc(Br)s1 ZINC000424300043 434684747 /nfs/dbraw/zinc/68/47/47/434684747.db2.gz WVLVCJQTPQAOOQ-UTLUCORTSA-N 0 3 317.252 3.147 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[C@H](F)C1)C(C)C ZINC000424654082 434768881 /nfs/dbraw/zinc/76/88/81/434768881.db2.gz HRJNBFOEAPHWDG-YESZJQIVSA-N 0 3 310.457 3.330 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000466441086 435076302 /nfs/dbraw/zinc/07/63/02/435076302.db2.gz LNYDKMXFZZXABK-INIZCTEOSA-N 0 3 324.534 3.457 10 30 DGEEHN C=CC[C@H](CO)CNc1cc(C)nc2ccc(OC(F)F)cc21 ZINC000561061026 435200049 /nfs/dbraw/zinc/20/00/49/435200049.db2.gz SPSCSLCFWYRCAI-LBPRGKRZSA-N 0 3 322.355 3.163 10 30 DGEEHN C=CCNC(=O)CN[C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000561126191 435201539 /nfs/dbraw/zinc/20/15/39/435201539.db2.gz QKMLFVBAPDQMIN-GOSISDBHSA-N 0 3 312.388 3.001 10 30 DGEEHN C=CCn1c(SC[C@H](C)N(C)C)nnc1-c1ccccc1C ZINC000479138564 435320844 /nfs/dbraw/zinc/32/08/44/435320844.db2.gz YGKLGZKZWZDWSD-AWEZNQCLSA-N 0 3 316.474 3.482 10 30 DGEEHN C=CCn1c(SC[C@@H](C)N(C)C)nnc1-c1ccccc1C ZINC000479138565 435320931 /nfs/dbraw/zinc/32/09/31/435320931.db2.gz YGKLGZKZWZDWSD-CQSZACIVSA-N 0 3 316.474 3.482 10 30 DGEEHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1F ZINC000512618023 435363744 /nfs/dbraw/zinc/36/37/44/435363744.db2.gz HLOMHOMFGHIONI-LBPRGKRZSA-N 0 3 313.332 3.499 10 30 DGEEHN C=CCCC[C@H](C)NC(=O)c1ccccc1OCCN(C)C ZINC000540539318 435606441 /nfs/dbraw/zinc/60/64/41/435606441.db2.gz NBMDPAHDEIKRPX-HNNXBMFYSA-N 0 3 304.434 3.102 10 30 DGEEHN CN(CCC1CCN(c2ccncc2)CC1)c1ccncc1C#N ZINC000548162700 435674811 /nfs/dbraw/zinc/67/48/11/435674811.db2.gz AIAKUNAIBVHXNU-UHFFFAOYSA-N 0 3 321.428 3.091 10 30 DGEEHN N#Cc1ccc(OCCNCC2=Cc3ccccc3OC2)cc1 ZINC000174561587 312763913 /nfs/dbraw/zinc/76/39/13/312763913.db2.gz RPPQTYALCZEGBB-UHFFFAOYSA-N 0 3 306.365 3.003 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000499255282 333235318 /nfs/dbraw/zinc/23/53/18/333235318.db2.gz MYVHXITXQKLUSK-ROUUACIJSA-N 0 3 303.446 3.480 10 30 DGEEHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000101583039 334331933 /nfs/dbraw/zinc/33/19/33/334331933.db2.gz IRGRKKOIDODMDR-HOTGVXAUSA-N 0 3 318.461 3.453 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000185053374 337201495 /nfs/dbraw/zinc/20/14/95/337201495.db2.gz QRAAFUGAUUFRGC-SJLPKXTDSA-N 0 3 300.446 3.370 10 30 DGEEHN CC[C@H](CC#N)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784813 337809934 /nfs/dbraw/zinc/80/99/34/337809934.db2.gz XZUATLFVBIFMDR-RRFJBIMHSA-N 0 3 309.454 3.304 10 30 DGEEHN C[Si](C)(C)C#C[C@]1(O)CCCC[C@@H]1NCc1ccccc1 ZINC000536555964 337848722 /nfs/dbraw/zinc/84/87/22/337848722.db2.gz ZLCIPDOAJQZKLB-ZWKOTPCHSA-N 0 3 301.506 3.331 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000499255281 340033547 /nfs/dbraw/zinc/03/35/47/340033547.db2.gz MYVHXITXQKLUSK-QZTJIDSGSA-N 0 3 303.446 3.480 10 30 DGEEHN C=CCN1CC[C@H](N2CCCC[C@@H]2CCc2ccccc2)C1=O ZINC000499594409 340040157 /nfs/dbraw/zinc/04/01/57/340040157.db2.gz SVYYRSWQXATZSL-MOPGFXCFSA-N 0 3 312.457 3.261 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000516874307 340457671 /nfs/dbraw/zinc/45/76/71/340457671.db2.gz WYLJZJFRADEDBT-INIZCTEOSA-N 0 3 323.440 3.486 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000521600887 340525933 /nfs/dbraw/zinc/52/59/33/340525933.db2.gz OWPRBSXOWWTWTB-RYQLBKOJSA-N 0 3 321.509 3.397 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N(C)C[C@@H]2CC=CCC2)CC1 ZINC000542258253 341002414 /nfs/dbraw/zinc/00/24/14/341002414.db2.gz NJHXAMUYMUILKA-MRXNPFEDSA-N 0 3 305.466 3.025 10 30 DGEEHN C=CCOc1ccc(CN2CCOC3(CCOCC3)CC2)cc1 ZINC000546717923 341180069 /nfs/dbraw/zinc/18/00/69/341180069.db2.gz FRUMVJMRXDBGOY-UHFFFAOYSA-N 0 3 317.429 3.023 10 30 DGEEHN CO[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CC[C@H]1C ZINC000249139893 341394495 /nfs/dbraw/zinc/39/44/95/341394495.db2.gz FKVVQQZIZVADNC-CRAIPNDOSA-N 0 3 302.418 3.226 10 30 DGEEHN C=CCc1cc(CN2CCC[C@]3(CCOC3)C2)cc(OC)c1O ZINC000449687806 534412879 /nfs/dbraw/zinc/41/28/79/534412879.db2.gz RFGVYILGNDFAQX-IBGZPJMESA-N 0 3 317.429 3.132 10 30 DGEEHN N#CCCCOc1cccc(CN2CCCN(C3CC3)CC2)c1 ZINC000179729704 534615975 /nfs/dbraw/zinc/61/59/75/534615975.db2.gz VUXWIQIEWAUQMD-UHFFFAOYSA-N 0 3 313.445 3.039 10 30 DGEEHN C=CCCCC[C@@H](C)NCc1cccc(N2CCOCC2)n1 ZINC000449258739 534696253 /nfs/dbraw/zinc/69/62/53/534696253.db2.gz QRQRJWKWPKKECQ-MRXNPFEDSA-N 0 3 303.450 3.143 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000431633282 526599234 /nfs/dbraw/zinc/59/92/34/526599234.db2.gz BQUHMXCANNNLCA-ZYSHUDEJSA-N 0 3 312.457 3.193 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000185315497 526694209 /nfs/dbraw/zinc/69/42/09/526694209.db2.gz ZHLPDWQMLJKRFC-MRXNPFEDSA-N 0 3 313.445 3.051 10 30 DGEEHN C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000358949494 526738064 /nfs/dbraw/zinc/73/80/64/526738064.db2.gz HGLAVISDFJGZOZ-GDBMZVCRSA-N 0 3 317.481 3.041 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H](CO)Cc1ccc(F)cc1 ZINC000359809123 526950080 /nfs/dbraw/zinc/95/00/80/526950080.db2.gz YRPUEHGKDXOIQS-GOSISDBHSA-N 0 3 315.388 3.084 10 30 DGEEHN C=CC[C@@H](CO)Nc1ccnc2cc(OCC)c(OCC)cc21 ZINC000182662272 527103559 /nfs/dbraw/zinc/10/35/59/527103559.db2.gz XGGWNOJHOVPROA-ZDUSSCGKSA-N 0 3 316.401 3.381 10 30 DGEEHN C=CCCCN(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000363181709 527181091 /nfs/dbraw/zinc/18/10/91/527181091.db2.gz GHWXVAZBLXGJTF-UHFFFAOYSA-N 0 3 300.446 3.323 10 30 DGEEHN C=CC[C@H](CO)N[C@H](C)c1ccc(Br)c(F)c1 ZINC000349750903 527210482 /nfs/dbraw/zinc/21/04/82/527210482.db2.gz XSVSONRFXOPWKC-MWLCHTKSSA-N 0 3 302.187 3.176 10 30 DGEEHN C=C[C@H](CC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000135654886 527572690 /nfs/dbraw/zinc/57/26/90/527572690.db2.gz AYEBZEPXHQIAJQ-JZXOWHBKSA-N 0 3 300.446 3.287 10 30 DGEEHN CC(C)c1ccccc1NC(=O)C(C#N)c1ccc([N+](=O)[O-])cn1 ZINC000359917048 528198618 /nfs/dbraw/zinc/19/86/18/528198618.db2.gz LDYCHYGDNMITJV-AWEZNQCLSA-N 0 3 324.340 3.359 10 30 DGEEHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000131408649 545957559 /nfs/dbraw/zinc/95/75/59/545957559.db2.gz UZCRADBKFNTZSB-LSDHHAIUSA-N 0 3 304.434 3.063 10 30 DGEEHN CC(C)Nc1ncccc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000329622219 546488286 /nfs/dbraw/zinc/48/82/86/546488286.db2.gz HEMPHQLLFYGLQK-CQSZACIVSA-N 0 3 316.449 3.223 10 30 DGEEHN C=CCOc1cccc(CNCc2ccnc(-n3ccnc3)c2)c1 ZINC000731451169 574549789 /nfs/dbraw/zinc/54/97/89/574549789.db2.gz ATHCXMVAISJEJR-UHFFFAOYSA-N 0 3 320.396 3.122 10 30 DGEEHN C#CCCOc1ccc(CNC[C@@H]2COc3ccccc3O2)cc1 ZINC000733322646 574615334 /nfs/dbraw/zinc/61/53/34/574615334.db2.gz AAFQDQCPRFMFKJ-GOSISDBHSA-N 0 3 323.392 3.018 10 30 DGEEHN N#CCOc1ccc(Cl)cc1CN(C[C@H]1CCOC1)C1CC1 ZINC000735308869 574696641 /nfs/dbraw/zinc/69/66/41/574696641.db2.gz WSBUIQPPVLITFU-CYBMUJFWSA-N 0 3 320.820 3.243 10 30 DGEEHN N#CCOc1ccc(Cl)cc1CN(CCO)C1CCCCC1 ZINC000735311083 574697246 /nfs/dbraw/zinc/69/72/46/574697246.db2.gz JLQXCNFKARUTGA-UHFFFAOYSA-N 0 3 322.836 3.369 10 30 DGEEHN C#CCN1CCC(C(=O)NC(C2CCCC2)C2CCCC2)CC1 ZINC000735447111 574702085 /nfs/dbraw/zinc/70/20/85/574702085.db2.gz AMTKLBCRZANKRW-UHFFFAOYSA-N 0 3 316.489 3.197 10 30 DGEEHN COc1ccc(CN[C@H](C)c2ccc3c(c2)CCO3)cc1C#N ZINC000742368809 574993007 /nfs/dbraw/zinc/99/30/07/574993007.db2.gz OULUNDIXCFUGLR-CYBMUJFWSA-N 0 3 308.381 3.353 10 30 DGEEHN N#CC(C(=O)CCC(=O)c1ccc(F)c(F)c1)c1ccccn1 ZINC000119954267 621755053 /nfs/dbraw/zinc/75/50/53/621755053.db2.gz VPZFELALPHQGSV-LBPRGKRZSA-N 0 3 314.291 3.199 10 30 DGEEHN CCCCCNC(=O)C(C#N)C(=O)CCCc1ccc(C)cc1 ZINC000069912416 660028401 /nfs/dbraw/zinc/02/84/01/660028401.db2.gz KGFYTFMDSOROSP-QGZVFWFLSA-N 0 3 314.429 3.333 10 30 DGEEHN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C ZINC000174528237 198347628 /nfs/dbraw/zinc/34/76/28/198347628.db2.gz PKFXZNCHHWHNAY-BXUZGUMPSA-N 0 3 320.824 3.158 10 30 DGEEHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C ZINC000174528261 198347678 /nfs/dbraw/zinc/34/76/78/198347678.db2.gz PKFXZNCHHWHNAY-RISCZKNCSA-N 0 3 320.824 3.158 10 30 DGEEHN C#Cc1cccc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000179478409 199042081 /nfs/dbraw/zinc/04/20/81/199042081.db2.gz JMGLJQSTUBZCDK-MOPGFXCFSA-N 0 3 319.408 3.235 10 30 DGEEHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccnc(C#N)c1 ZINC000193598680 201084577 /nfs/dbraw/zinc/08/45/77/201084577.db2.gz NRZCUUSTHHPVHV-UHFFFAOYSA-N 0 3 320.396 3.110 10 30 DGEEHN C[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc(C#N)s1 ZINC000135078350 432097784 /nfs/dbraw/zinc/09/77/84/432097784.db2.gz INIKKBFLYBYXJX-NEPJUHHUSA-N 0 3 316.405 3.083 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330249886 299391891 /nfs/dbraw/zinc/39/18/91/299391891.db2.gz MTWBPLAXXRXIJV-DLDMWITLSA-N 0 3 306.450 3.067 10 30 DGEEHN C=CCNC(=O)CN[C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000563778101 335006115 /nfs/dbraw/zinc/00/61/15/335006115.db2.gz YKJSEZLVSJMHSW-ZDUSSCGKSA-N 0 3 300.427 3.368 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)CC1 ZINC000473817728 244350821 /nfs/dbraw/zinc/35/08/21/244350821.db2.gz AVAGMTAIJOHBMK-BZUAXINKSA-N 0 3 307.482 3.103 10 30 DGEEHN Cc1ccn(-c2ccccc2CNCc2ccc(C#N)s2)n1 ZINC000136402086 284501907 /nfs/dbraw/zinc/50/19/07/284501907.db2.gz JUOXBDOCWVQAAQ-UHFFFAOYSA-N 0 3 308.410 3.404 10 30 DGEEHN COc1ccc(C)cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330251642 533391545 /nfs/dbraw/zinc/39/15/45/533391545.db2.gz HUZDEOUXYNMGSG-DXCKQFNASA-N 0 3 318.417 3.137 10 30 DGEEHN C=CCOc1ccc(CN[C@@H]2COc3ccc(F)cc3C2)cc1 ZINC000581392784 400079393 /nfs/dbraw/zinc/07/93/93/400079393.db2.gz PDALVJPULLBHPL-KRWDZBQOSA-N 0 3 313.372 3.484 10 30 DGEEHN C=CCOc1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000067504547 400175025 /nfs/dbraw/zinc/17/50/25/400175025.db2.gz HTNPIVDCYKIXMN-KRWDZBQOSA-N 0 3 310.397 3.107 10 30 DGEEHN C=CCCC[C@H](C)N1CCN(CCOc2ccccc2)CC1 ZINC000091507721 400125675 /nfs/dbraw/zinc/12/56/75/400125675.db2.gz YPEXWLBRKPQXHN-SFHVURJKSA-N 0 3 302.462 3.428 10 30 DGEEHN C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc2ccccc2c1 ZINC000123184804 400466771 /nfs/dbraw/zinc/46/67/71/400466771.db2.gz JBRWTSUUHRZIDB-VBKZILBWSA-N 0 3 321.424 3.299 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000125792337 400485161 /nfs/dbraw/zinc/48/51/61/400485161.db2.gz SMFXPRRAHNUPCB-GOSISDBHSA-N 0 3 315.461 3.259 10 30 DGEEHN C#CC[C@@H](N)c1cc(Br)ccc1Br ZINC000168687020 400758307 /nfs/dbraw/zinc/75/83/07/400758307.db2.gz QNNKCKPYZDNSMC-SNVBAGLBSA-N 0 3 302.997 3.235 10 30 DGEEHN N#Cc1ccc(CN[C@@H]2Cc3[nH]c4ccccc4c3C2)c(F)c1 ZINC000619672700 400882156 /nfs/dbraw/zinc/88/21/56/400882156.db2.gz QADOPGQGJPYFJN-AWEZNQCLSA-N 0 3 305.356 3.436 10 30 DGEEHN C=CC[C@@H](CO)NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000184287985 400902914 /nfs/dbraw/zinc/90/29/14/400902914.db2.gz PYVWXRMDSDRTPW-SFHVURJKSA-N 0 3 315.388 3.431 10 30 DGEEHN C=CC[C@@H]1CCN(Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000625701587 401185750 /nfs/dbraw/zinc/18/57/50/401185750.db2.gz KTCXPYQTMWCDMS-CYBMUJFWSA-N 0 3 302.809 3.319 10 30 DGEEHN C=CCN1CC[C@@H](NC(C)(C)c2ccc3ccccc3c2)C1=O ZINC000626116112 401304594 /nfs/dbraw/zinc/30/45/94/401304594.db2.gz QJFHEOBACGKVDH-GOSISDBHSA-N 0 3 308.425 3.451 10 30 DGEEHN C=CC[C@H]1CCN(C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000628406122 401592093 /nfs/dbraw/zinc/59/20/93/401592093.db2.gz CKQITKJUFBGYGE-CABCVRRESA-N 0 3 307.459 3.092 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)C1 ZINC000624142259 401631910 /nfs/dbraw/zinc/63/19/10/401631910.db2.gz QDWHFUYZGDVVQY-SJORKVTESA-N 0 3 307.482 3.105 10 30 DGEEHN N#Cc1ccccc1Cn1cccc1CN1CC[C@@]2(CCOC2)C1 ZINC000187420487 165088433 /nfs/dbraw/zinc/08/84/33/165088433.db2.gz HWMAKPOKZJOQDK-HXUWFJFHSA-N 0 3 321.424 3.020 10 30 DGEEHN N#Cc1ccc2ncc(CNCc3ccc4ncccc4c3)n2c1 ZINC000192979989 165314699 /nfs/dbraw/zinc/31/46/99/165314699.db2.gz FJTDLAZMBHQLCK-UHFFFAOYSA-N 0 3 313.364 3.044 10 30 DGEEHN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000247271111 432218281 /nfs/dbraw/zinc/21/82/81/432218281.db2.gz JXETYRVQAUKDRO-GOEBONIOSA-N 0 3 321.490 3.174 10 30 DGEEHN C[C@H](NCCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000358592128 267182274 /nfs/dbraw/zinc/18/22/74/267182274.db2.gz PLVVNWPKLHVQCQ-LBPRGKRZSA-N 0 3 306.381 3.470 10 30 DGEEHN C[C@H]1CCN(c2ccncc2C#N)CCN1Cc1ccccc1 ZINC000369963553 267217972 /nfs/dbraw/zinc/21/79/72/267217972.db2.gz GGVJQQNTSPIRQA-INIZCTEOSA-N 0 3 306.413 3.054 10 30 DGEEHN Cc1cc(C#N)nc(N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000376458474 267317694 /nfs/dbraw/zinc/31/76/94/267317694.db2.gz BFOHOLOTBPWLQF-WBVHZDCISA-N 0 3 321.428 3.122 10 30 DGEEHN C=CC[C@@H](CO)N[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000343503828 273486826 /nfs/dbraw/zinc/48/68/26/273486826.db2.gz LUCNWHQLBMDUMY-FZMZJTMJSA-N 0 3 300.324 3.004 10 30 DGEEHN CN1CCC(Nc2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000301727314 273870716 /nfs/dbraw/zinc/87/07/16/273870716.db2.gz NINRFEGRBLYNQC-UHFFFAOYSA-N 0 3 300.793 3.266 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)CC1 ZINC000368084844 277775597 /nfs/dbraw/zinc/77/55/97/277775597.db2.gz HXFLIONPNVDLOJ-LPHOPBHVSA-N 0 3 319.493 3.249 10 30 DGEEHN C=CC12CCN(CC1)[C@H]([C@H](O)c1ccnc3ccc(OC)cc31)C2 ZINC000000345735 431168976 /nfs/dbraw/zinc/16/89/76/431168976.db2.gz FNBBFRCDCVFRON-RBUKOAKNSA-N 0 3 324.424 3.317 10 30 DGEEHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000112532010 431282051 /nfs/dbraw/zinc/28/20/51/431282051.db2.gz XNFMGBNQTLBIOK-CABCVRRESA-N 0 3 315.461 3.395 10 30 DGEEHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H]1c1ccco1 ZINC000116288923 431500866 /nfs/dbraw/zinc/50/08/66/431500866.db2.gz INLDBQHYYWFAOB-CYBMUJFWSA-N 0 3 315.398 3.378 10 30 DGEEHN C=CCCCN(C)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000076738352 431560105 /nfs/dbraw/zinc/56/01/05/431560105.db2.gz NAENJKZJXHOUEJ-SFHVURJKSA-N 0 3 316.445 3.257 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C)nc1C)C(C)C ZINC000120088640 431721606 /nfs/dbraw/zinc/72/16/06/431721606.db2.gz ALTHPTAPEYWHKA-GOSISDBHSA-N 0 3 315.461 3.127 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000122216445 431819666 /nfs/dbraw/zinc/81/96/66/431819666.db2.gz LZVXHMAJBNSFHU-INIZCTEOSA-N 0 3 321.424 3.117 10 30 DGEEHN N#Cc1ccc2ncc(CN3CCC[C@H]3Cc3ccccc3)n2c1 ZINC000124965116 431910279 /nfs/dbraw/zinc/91/02/79/431910279.db2.gz YAYBSHROOHAYAT-SFHVURJKSA-N 0 3 316.408 3.413 10 30 DGEEHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1N(C)C ZINC000090106680 431890410 /nfs/dbraw/zinc/89/04/10/431890410.db2.gz CITQAWSYZSKGSX-HNNXBMFYSA-N 0 3 309.413 3.354 10 30 DGEEHN C=C[C@H](CC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)c1ccccc1 ZINC000248069896 432266936 /nfs/dbraw/zinc/26/69/36/432266936.db2.gz QEOUNFQXBSWAPJ-NZSAHSFTSA-N 0 3 312.457 3.289 10 30 DGEEHN C#Cc1cccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000252801417 432389062 /nfs/dbraw/zinc/38/90/62/432389062.db2.gz JMGLJQSTUBZCDK-RTBURBONSA-N 0 3 319.408 3.235 10 30 DGEEHN C[C@@H](CCN1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000193650865 432488708 /nfs/dbraw/zinc/48/87/08/432488708.db2.gz XJUXBFZSXJSJPF-KRWDZBQOSA-N 0 3 320.440 3.269 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000186067525 432555915 /nfs/dbraw/zinc/55/59/15/432555915.db2.gz ZNNHHAPXAPVZDG-BQFCYCMXSA-N 0 3 300.446 3.225 10 30 DGEEHN CC(C)COC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000155668450 432567988 /nfs/dbraw/zinc/56/79/88/432567988.db2.gz IGTUNKOKHCXUNC-UHFFFAOYSA-N 0 3 316.445 3.464 10 30 DGEEHN N#Cc1ccc(CNCCc2csc(N3CCCC3)n2)s1 ZINC000176971857 432570514 /nfs/dbraw/zinc/57/05/14/432570514.db2.gz QBWOIBWGWZPVGJ-UHFFFAOYSA-N 0 3 318.471 3.009 10 30 DGEEHN Cc1cc(C#N)ccc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000186237352 432573275 /nfs/dbraw/zinc/57/32/75/432573275.db2.gz UIVQVXVYICSRKB-KRWDZBQOSA-N 0 3 306.413 3.196 10 30 DGEEHN C=CC[C@@H](CO)N[C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000186699119 432624468 /nfs/dbraw/zinc/62/44/68/432624468.db2.gz NTXHWNOXOPCZCO-WBVHZDCISA-N 0 3 313.445 3.385 10 30 DGEEHN COc1ccc(CN(CCc2nccs2)C(C)C)cc1C#N ZINC000159819766 432697549 /nfs/dbraw/zinc/69/75/49/432697549.db2.gz MUSQZURPUSNKOX-UHFFFAOYSA-N 0 3 315.442 3.476 10 30 DGEEHN N#CCCCOc1cccc(CN2CCC[C@@H]2Cn2ccnc2)c1 ZINC000188413541 432723750 /nfs/dbraw/zinc/72/37/50/432723750.db2.gz FNZYFLPIVFFOIY-GOSISDBHSA-N 0 3 324.428 3.230 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(Br)cc1F ZINC000188457590 432727582 /nfs/dbraw/zinc/72/75/82/432727582.db2.gz CCNLCNPVPITVSG-ONGXEEELSA-N 0 3 302.187 3.176 10 30 DGEEHN C[C@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1n1ccnc1 ZINC000245575128 432846395 /nfs/dbraw/zinc/84/63/95/432846395.db2.gz HNJHZYFMABWZKK-MAUKXSAKSA-N 0 3 313.832 3.471 10 30 DGEEHN C=C(C)COc1cc(CN(CC)[C@@H]2CCOC2)ccc1OC ZINC000361251630 433058909 /nfs/dbraw/zinc/05/89/09/433058909.db2.gz MUJFOGMLZKYXPM-MRXNPFEDSA-N 0 3 305.418 3.261 10 30 DGEEHN N#Cc1ccc(N2CCC[C@@H](N3CCCC34CCC4)C2=O)cc1 ZINC000447877681 433311040 /nfs/dbraw/zinc/31/10/40/433311040.db2.gz IGSNJSLOLRWKTC-QGZVFWFLSA-N 0 3 309.413 3.072 10 30 DGEEHN C=CCCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000448034832 433353433 /nfs/dbraw/zinc/35/34/33/433353433.db2.gz LRWSKEXUCVIXGA-QGZVFWFLSA-N 0 3 315.461 3.259 10 30 DGEEHN C=CCCCNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000448093294 433360160 /nfs/dbraw/zinc/36/01/60/433360160.db2.gz IHHZEEOIKWKRSI-QGZVFWFLSA-N 0 3 303.450 3.117 10 30 DGEEHN C=CCCCNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000448000938 433342022 /nfs/dbraw/zinc/34/20/22/433342022.db2.gz RPYDCEWDBMFINZ-GOSISDBHSA-N 0 3 315.461 3.162 10 30 DGEEHN C=CC[C@H](CO)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284069544 433826681 /nfs/dbraw/zinc/82/66/81/433826681.db2.gz UKUKAXFCHBKQPQ-CYBMUJFWSA-N 0 3 308.834 3.490 10 30 DGEEHN C=CC[C@@H](CO)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284069548 433829519 /nfs/dbraw/zinc/82/95/19/433829519.db2.gz UKUKAXFCHBKQPQ-ZDUSSCGKSA-N 0 3 308.834 3.490 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000284565409 433899202 /nfs/dbraw/zinc/89/92/02/433899202.db2.gz YOIVLFQBEHFZRX-PBHICJAKSA-N 0 3 304.434 3.016 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H]1CCc2sc(Br)cc21 ZINC000294012358 433965586 /nfs/dbraw/zinc/96/55/86/433965586.db2.gz DIJKTYLODIYQSA-WCBMZHEXSA-N 0 3 302.237 3.025 10 30 DGEEHN CC(=O)c1ccc2c(c1)CCN(Cc1cccc(C#N)c1)CC2 ZINC000378267088 434126051 /nfs/dbraw/zinc/12/60/51/434126051.db2.gz SBMGNWFSKUVDBK-UHFFFAOYSA-N 0 3 304.393 3.362 10 30 DGEEHN CC(=O)Nc1ccn([C@@H]2CCN(Cc3ccc(C)s3)C2)n1 ZINC000328626329 434293114 /nfs/dbraw/zinc/29/31/14/434293114.db2.gz LOIVVNFFBNJPHB-CYBMUJFWSA-N 0 3 304.419 3.308 10 30 DGEEHN CC(=O)[C@](C)(O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450710635 434358996 /nfs/dbraw/zinc/35/89/96/434358996.db2.gz CVNSNORBDQZULM-VBKZILBWSA-N 0 3 322.408 3.216 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@]2(CC=CCC2)C1 ZINC000358394090 434392689 /nfs/dbraw/zinc/39/26/89/434392689.db2.gz FXASCOBGTQURFC-IEBWSBKVSA-N 0 3 302.462 3.398 10 30 DGEEHN C#CCOc1ccccc1CN1CCC(c2nccc(C)n2)CC1 ZINC000368283670 434570652 /nfs/dbraw/zinc/57/06/52/434570652.db2.gz JZMAFIAJQCZZED-UHFFFAOYSA-N 0 3 321.424 3.177 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418346833 434632244 /nfs/dbraw/zinc/63/22/44/434632244.db2.gz HZEVFYSOWJDXHC-QGZVFWFLSA-N 0 3 303.450 3.417 10 30 DGEEHN C=CCN1CC[C@H](N2C[C@@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000411992573 434852653 /nfs/dbraw/zinc/85/26/53/434852653.db2.gz VKGDZLFGCMWBBI-ROUUACIJSA-N 0 3 310.441 3.043 10 30 DGEEHN C=CCN1CC[C@@H](N2C[C@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000411992570 434852896 /nfs/dbraw/zinc/85/28/96/434852896.db2.gz VKGDZLFGCMWBBI-QZTJIDSGSA-N 0 3 310.441 3.043 10 30 DGEEHN C=CCC[C@H](C(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000463777709 434969083 /nfs/dbraw/zinc/96/90/83/434969083.db2.gz VIPLTQLLCORADJ-OALUTQOASA-N 0 3 312.457 3.432 10 30 DGEEHN C=CCOc1ccc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1OC ZINC000527803088 435015569 /nfs/dbraw/zinc/01/55/69/435015569.db2.gz USVHWRKZYMVVKU-NUXNZHGMSA-N 0 3 305.418 3.162 10 30 DGEEHN C=CCOc1ccc(CNC[C@@H]2c3ccccc3C(=O)N2C)cc1 ZINC000527806057 435016328 /nfs/dbraw/zinc/01/63/28/435016328.db2.gz KSMOATPUHKJRMB-LJQANCHMSA-N 0 3 322.408 3.168 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000527889537 435016378 /nfs/dbraw/zinc/01/63/78/435016378.db2.gz FMWRYSJBKLCFMV-IUCAKERBSA-N 0 3 320.177 3.315 10 30 DGEEHN C=CCOc1ccccc1CNc1ccc2c(c1)OCCNC2 ZINC000530182361 435042684 /nfs/dbraw/zinc/04/26/84/435042684.db2.gz VLMZDAAYHJUUFH-UHFFFAOYSA-N 0 3 310.397 3.346 10 30 DGEEHN C=CCCN(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000467103890 435109456 /nfs/dbraw/zinc/10/94/56/435109456.db2.gz KTFFYRSBVGUWNY-GOEBONIOSA-N 0 3 321.490 3.349 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(Br)cn1 ZINC000564832179 435273928 /nfs/dbraw/zinc/27/39/28/435273928.db2.gz RXKVJYRUVBPOJQ-MJVIPROJSA-N 0 3 311.223 3.086 10 30 DGEEHN C[C@H](NCCOc1ccc(Cl)cn1)c1ccc(C#N)cc1F ZINC000512674163 435365673 /nfs/dbraw/zinc/36/56/73/435365673.db2.gz VFJISKFNUFQATB-NSHDSACASA-N 0 3 319.767 3.475 10 30 DGEEHN C=CC[C@H](C(=O)N[C@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000188385108 333365127 /nfs/dbraw/zinc/36/51/27/333365127.db2.gz YUGOFNLTZQWCTG-MSOLQXFVSA-N 0 3 302.462 3.439 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CCc3sccc3[C@@H]2C)CC1 ZINC000264383741 337632584 /nfs/dbraw/zinc/63/25/84/337632584.db2.gz VBNNRJQHFJWNHS-ZDUSSCGKSA-N 0 3 319.474 3.027 10 30 DGEEHN C=CCCc1ccccc1NC(=O)NC1(CN(C)C)CCC1 ZINC000505044776 340159932 /nfs/dbraw/zinc/15/99/32/340159932.db2.gz DEOYUWYMMJUJGZ-UHFFFAOYSA-N 0 3 301.434 3.411 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@H](C)[C@H](OC)C2)cc1OC ZINC000249153354 341394802 /nfs/dbraw/zinc/39/48/02/341394802.db2.gz HSWKJQUDTAHBDS-KBXCAEBGSA-N 0 3 305.418 3.117 10 30 DGEEHN C=CCC[C@@H](CO)NCc1ccc(-c2ccncc2)cc1F ZINC000449698616 534791894 /nfs/dbraw/zinc/79/18/94/534791894.db2.gz OGRIGGPUMSTQCQ-KRWDZBQOSA-N 0 3 300.377 3.304 10 30 DGEEHN CC#CCCN1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000360485318 526308192 /nfs/dbraw/zinc/30/81/92/526308192.db2.gz BRILJHVQVVSASZ-FXAWDEMLSA-N 0 3 313.489 3.336 10 30 DGEEHN C=CCN1CCC(NC(=O)c2cccc(SCC)c2)CC1 ZINC000343347278 526449480 /nfs/dbraw/zinc/44/94/80/526449480.db2.gz SQFUWPJVWYDRDW-UHFFFAOYSA-N 0 3 304.459 3.179 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@H](CC)CC2)CC1 ZINC000431918111 526596041 /nfs/dbraw/zinc/59/60/41/526596041.db2.gz DTUIDOMEFGUSSI-WKILWMFISA-N 0 3 307.482 3.295 10 30 DGEEHN C=C(C)CN1CCC([NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000182188120 526602827 /nfs/dbraw/zinc/60/28/27/526602827.db2.gz KDXDDRLGGAOFRD-UHFFFAOYSA-N 0 3 308.853 3.484 10 30 DGEEHN C=C(C)CN1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000441218887 526608168 /nfs/dbraw/zinc/60/81/68/526608168.db2.gz UORFKOLKHUPYKI-QFBILLFUSA-N 0 3 301.478 3.498 10 30 DGEEHN C=CCN[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000429354015 526677905 /nfs/dbraw/zinc/67/79/05/526677905.db2.gz LPAOHBHAEXNLDS-VQIMIIECSA-N 0 3 313.372 3.352 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000185232417 526705831 /nfs/dbraw/zinc/70/58/31/526705831.db2.gz YLNSIYNVYBOHID-HNNXBMFYSA-N 0 3 306.425 3.318 10 30 DGEEHN C=C(CNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000352996588 526870670 /nfs/dbraw/zinc/87/06/70/526870670.db2.gz HZDPQPZLFKRMMD-IRXDYDNUSA-N 0 3 315.461 3.262 10 30 DGEEHN C=CC[C@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000342098174 527130652 /nfs/dbraw/zinc/13/06/52/527130652.db2.gz DUOARFFNFVQVLF-WMZOPIPTSA-N 0 3 315.461 3.305 10 30 DGEEHN C=CC[C@H](CO)CNCc1ccc(-c2ccncc2)cc1F ZINC000341288623 527185744 /nfs/dbraw/zinc/18/57/44/527185744.db2.gz DYDJGYKQYRUDPI-AWEZNQCLSA-N 0 3 300.377 3.162 10 30 DGEEHN C=CCn1c(SC[C@@H](C)N(C)C)nnc1-c1ccccc1 ZINC000358850331 527340775 /nfs/dbraw/zinc/34/07/75/527340775.db2.gz AAEMGZCQSASHQW-CYBMUJFWSA-N 0 3 302.447 3.173 10 30 DGEEHN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc2ccccc2c1 ZINC000181485056 528361920 /nfs/dbraw/zinc/36/19/20/528361920.db2.gz FNNDDAHYYKIWDS-HNNXBMFYSA-N 0 3 309.413 3.253 10 30 DGEEHN C=CCCCCCN(C)Cn1ncc2cc(C(=O)OC)ccc21 ZINC000739886179 574914753 /nfs/dbraw/zinc/91/47/53/574914753.db2.gz XZSQSXVBBZAKHL-UHFFFAOYSA-N 0 3 315.417 3.459 10 30 DGEEHN N#CC(C(=O)CCc1ccc(OC(F)F)cc1)c1ccccn1 ZINC000121982415 655798559 /nfs/dbraw/zinc/79/85/59/655798559.db2.gz RVLFQLYIMGYTHV-CQSZACIVSA-N 0 3 316.307 3.492 10 30 DGEEHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000162298338 656080044 /nfs/dbraw/zinc/08/00/44/656080044.db2.gz YORWONWTWIPQGY-GDBMZVCRSA-N 0 3 322.449 3.130 10 30 DGEEHN C#CC[C@@H](COC)NCc1ccc(Cl)c(Br)c1 ZINC000716932990 661234093 /nfs/dbraw/zinc/23/40/93/661234093.db2.gz GFQVRVOVCSDREI-NSHDSACASA-N 0 3 316.626 3.230 10 30 DGEEHN C=CCOc1ccccc1CNC[C@](C)(O)c1cccs1 ZINC000304298362 657622235 /nfs/dbraw/zinc/62/22/35/657622235.db2.gz NYSFMDLXPCPFRG-KRWDZBQOSA-N 0 3 303.427 3.310 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@](C)(O)c1cccs1 ZINC000304298366 657622276 /nfs/dbraw/zinc/62/22/76/657622276.db2.gz NYSFMDLXPCPFRG-QGZVFWFLSA-N 0 3 303.427 3.310 10 30 DGEEHN COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C#N)CC2)c1[O-] ZINC000057824049 659033940 /nfs/dbraw/zinc/03/39/40/659033940.db2.gz FMQHLTSCLMCJOX-UHFFFAOYSA-N 0 3 324.380 3.068 10 30 DGEEHN C=CCOc1cccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000236686737 1202620760 /nfs/dbraw/zinc/62/07/60/1202620760.db2.gz HDOFTBQAKYPUIJ-QGZVFWFLSA-N 0 3 322.408 3.147 10 30 DGEEHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000090107669 185282766 /nfs/dbraw/zinc/28/27/66/185282766.db2.gz RDLZFPRPMDMPLJ-CYBMUJFWSA-N 0 3 310.353 3.017 10 30 DGEEHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000181755854 199348093 /nfs/dbraw/zinc/34/80/93/199348093.db2.gz WOXRTUQJMNRDJQ-CQSZACIVSA-N 0 3 324.380 3.059 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)CSc2ccccc2C)CC1 ZINC000106039870 432019972 /nfs/dbraw/zinc/01/99/72/432019972.db2.gz YRBBWUFCNXVTRU-UHFFFAOYSA-N 0 3 318.486 3.244 10 30 DGEEHN COc1ccc(CN[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1C#N ZINC000179046008 432035882 /nfs/dbraw/zinc/03/58/82/432035882.db2.gz NLSCIEPMAGNTCK-QUCCMNQESA-N 0 3 321.424 3.102 10 30 DGEEHN C=C(C)CN(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000180832796 432103275 /nfs/dbraw/zinc/10/32/75/432103275.db2.gz AHHHVXVMRCPRGP-GOSISDBHSA-N 0 3 315.461 3.259 10 30 DGEEHN N#CCCOCCN1CCC(Cc2c(F)cccc2F)CC1 ZINC000451955259 241283866 /nfs/dbraw/zinc/28/38/66/241283866.db2.gz AVBJOWZPNNNHFT-UHFFFAOYSA-N 0 3 308.372 3.150 10 30 DGEEHN Cc1ccn(-c2ccccc2CNCc2ccc(C#N)cc2)n1 ZINC000136404506 284501595 /nfs/dbraw/zinc/50/15/95/284501595.db2.gz TVHGDOLXMDNQJG-UHFFFAOYSA-N 0 3 302.381 3.342 10 30 DGEEHN COc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc(C#N)s1)C2 ZINC000181680253 432141641 /nfs/dbraw/zinc/14/16/41/432141641.db2.gz CFFSFIKMDCQTAG-AAEUAGOBSA-N 0 3 314.410 3.283 10 30 DGEEHN N#Cc1ccccc1O[C@@H](CN)c1ccccc1Br ZINC000043094520 183336832 /nfs/dbraw/zinc/33/68/32/183336832.db2.gz GHGQKSHEHDXXMH-HNNXBMFYSA-N 0 3 317.186 3.400 10 30 DGEEHN Cc1cc(C#N)cc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000342847044 254064705 /nfs/dbraw/zinc/06/47/05/254064705.db2.gz GOPWYIAZNCTMBL-KDOFPFPSSA-N 0 3 306.413 3.194 10 30 DGEEHN C=CCOC[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccc(C)s2)O1 ZINC000248063472 257111252 /nfs/dbraw/zinc/11/12/52/257111252.db2.gz DPHQBOKDTYJFOC-XIRDDKMYSA-N 0 3 307.459 3.381 10 30 DGEEHN N#Cc1ccc2ncc(CNCCSc3ccccc3)n2c1 ZINC000123184895 195553755 /nfs/dbraw/zinc/55/37/55/195553755.db2.gz SVOQMRFUXCQDBG-UHFFFAOYSA-N 0 3 308.410 3.088 10 30 DGEEHN C=C(C)CN1CCC(Nc2cc(C)nc(-c3ccccn3)n2)CC1 ZINC000068702355 400280331 /nfs/dbraw/zinc/28/03/31/400280331.db2.gz WMELBFUEWBTSBP-UHFFFAOYSA-N 0 3 323.444 3.299 10 30 DGEEHN C[C@@H](NCCN1Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000611588178 400428226 /nfs/dbraw/zinc/42/82/26/400428226.db2.gz ZSGKELSRYSZVNU-CQSZACIVSA-N 0 3 309.388 3.364 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000125380376 400481767 /nfs/dbraw/zinc/48/17/67/400481767.db2.gz WPVWYNJOCZSCRB-SFHVURJKSA-N 0 3 315.461 3.259 10 30 DGEEHN C=CCOc1cccc(CN[C@@H]2C[C@@H](OCC)[C@H]2SC)c1 ZINC000592375921 400641158 /nfs/dbraw/zinc/64/11/58/400641158.db2.gz UGOOJJFUPMEGTB-ZACQAIPSSA-N 0 3 307.459 3.250 10 30 DGEEHN C=CC[C@H](C(=O)NCCN1CCCC[C@H]1C)c1ccccc1 ZINC000188264684 400908125 /nfs/dbraw/zinc/90/81/25/400908125.db2.gz XULBDEHEXCZFMA-AEFFLSMTSA-N 0 3 300.446 3.337 10 30 DGEEHN C=CCCn1cc(CSCCN(C)Cc2ccccc2)nn1 ZINC000594448097 401071787 /nfs/dbraw/zinc/07/17/87/401071787.db2.gz AFZZQKUACQSFGD-UHFFFAOYSA-N 0 3 316.474 3.219 10 30 DGEEHN C=C(C)[C@H](N[C@H](C)[C@H]1C[C@H]1C(=O)OC)c1ccc(F)c(F)c1 ZINC000594947567 401202876 /nfs/dbraw/zinc/20/28/76/401202876.db2.gz VISOWKULHNQLHD-VSBTWAGUSA-N 0 3 309.356 3.369 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000594968971 401212972 /nfs/dbraw/zinc/21/29/72/401212972.db2.gz YCCCHSPBUAOZLR-ZOCZFRKYSA-N 0 3 307.459 3.031 10 30 DGEEHN C=CC[C@H](CO)CNCc1cccc(F)c1OCC(F)(F)F ZINC000623483803 401528890 /nfs/dbraw/zinc/52/88/90/401528890.db2.gz SLWDJNQWHCECIW-NSHDSACASA-N 0 3 321.314 3.041 10 30 DGEEHN C=CCOc1ccccc1CNC[C@H]1CCCN1CC(F)F ZINC000623626583 401558595 /nfs/dbraw/zinc/55/85/95/401558595.db2.gz ZHGIEYOLQSRUMK-OAHLLOKOSA-N 0 3 310.388 3.071 10 30 DGEEHN C=CC[C@@H](C(=O)NC[C@@H]1CCN1C1CCCC1)c1ccccc1 ZINC000628964732 401651248 /nfs/dbraw/zinc/65/12/48/401651248.db2.gz GVVAHVFMSWECEV-RBUKOAKNSA-N 0 3 312.457 3.479 10 30 DGEEHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328643963 296643733 /nfs/dbraw/zinc/64/37/33/296643733.db2.gz FPJHLGRZEVHXLX-AHEZYBDSSA-N 0 3 317.433 3.131 10 30 DGEEHN Cn1cc(CNC[C@@H]2CCC(C)(C)O2)c(-c2ccc(C#N)cc2)n1 ZINC000189714492 165174297 /nfs/dbraw/zinc/17/42/97/165174297.db2.gz JZUWWGBOYSIBEN-KRWDZBQOSA-N 0 3 324.428 3.006 10 30 DGEEHN Cc1cccc(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)c1C ZINC000330267026 228986052 /nfs/dbraw/zinc/98/60/52/228986052.db2.gz QFURUEORXBLTSE-RRQGHBQHSA-N 0 3 302.418 3.437 10 30 DGEEHN CC(C)COC1CCN(CCOc2ccccc2C#N)CC1 ZINC000193765143 263800560 /nfs/dbraw/zinc/80/05/60/263800560.db2.gz DCNLASSRJSOYFF-UHFFFAOYSA-N 0 3 302.418 3.074 10 30 DGEEHN Cc1cc(C#N)nc(NC2CCN([C@H](C)c3ccccc3)CC2)n1 ZINC000376205941 267316700 /nfs/dbraw/zinc/31/67/00/267316700.db2.gz UTXDDVFGSOWTSK-OAHLLOKOSA-N 0 3 321.428 3.294 10 30 DGEEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000328914865 279503812 /nfs/dbraw/zinc/50/38/12/279503812.db2.gz QMPGKBUXIVDGDI-CSDUCGJJSA-N 0 3 321.465 3.397 10 30 DGEEHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H]1c1ccco1 ZINC000116288921 431499011 /nfs/dbraw/zinc/49/90/11/431499011.db2.gz INLDBQHYYWFAOB-ZDUSSCGKSA-N 0 3 315.398 3.378 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000076737841 431562714 /nfs/dbraw/zinc/56/27/14/431562714.db2.gz OZVBIODKITZPGG-HUUCEWRRSA-N 0 3 304.434 3.159 10 30 DGEEHN CCn1cnnc1C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118398607 431604503 /nfs/dbraw/zinc/60/45/03/431604503.db2.gz PXUMDLKHSHMUFL-AWEZNQCLSA-N 0 3 309.417 3.110 10 30 DGEEHN C=CCN(C)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000121576638 431802874 /nfs/dbraw/zinc/80/28/74/431802874.db2.gz WNGWHYQYXKXJHY-IBGZPJMESA-N 0 3 311.425 3.271 10 30 DGEEHN N#Cc1ccc2ncc(CN3CCC[C@@H]3Cc3ccccc3)n2c1 ZINC000124965327 431910209 /nfs/dbraw/zinc/91/02/09/431910209.db2.gz YAYBSHROOHAYAT-GOSISDBHSA-N 0 3 316.408 3.413 10 30 DGEEHN CCc1ccc([C@@H]2CCCCN2CCC(=O)N(C)CCC#N)o1 ZINC000092797750 431912360 /nfs/dbraw/zinc/91/23/60/431912360.db2.gz BFHHLPNSQOQWPH-INIZCTEOSA-N 0 3 317.433 3.131 10 30 DGEEHN C=CCC(CC=C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000125652918 431932854 /nfs/dbraw/zinc/93/28/54/431932854.db2.gz JQMCKDWYYHUXSE-SFHVURJKSA-N 0 3 300.446 3.044 10 30 DGEEHN CCN(C[C@H](O)COC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340447 431969294 /nfs/dbraw/zinc/96/92/94/431969294.db2.gz HXKSBTCRYDBXBN-YOEHRIQHSA-N 0 3 304.434 3.117 10 30 DGEEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C#N)s1)CC2 ZINC000183319471 432282387 /nfs/dbraw/zinc/28/23/87/432282387.db2.gz HFRFVPDVWWDZID-NWDGAFQWSA-N 0 3 315.446 3.000 10 30 DGEEHN Cc1cc(C)c(CN2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 ZINC000060526904 431999967 /nfs/dbraw/zinc/99/99/67/431999967.db2.gz HYWIPCOFFNDZHL-UHFFFAOYSA-N 0 3 320.440 3.201 10 30 DGEEHN C=C(C)CN(CC)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248059876 432266898 /nfs/dbraw/zinc/26/68/98/432266898.db2.gz OZMLKZDUBITLET-SJORKVTESA-N 0 3 301.434 3.039 10 30 DGEEHN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000248765436 432317493 /nfs/dbraw/zinc/31/74/93/432317493.db2.gz NUGZNQDWUSCTMT-UHOFOFEASA-N 0 3 319.364 3.166 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000191956064 432317844 /nfs/dbraw/zinc/31/78/44/432317844.db2.gz YOHBAFLZMCXXSO-MRXNPFEDSA-N 0 3 318.461 3.188 10 30 DGEEHN N#C[C@@H]1CCC[C@@H](N[C@H](CO)c2cccc(Br)c2)C1 ZINC000248876705 432325811 /nfs/dbraw/zinc/32/58/11/432325811.db2.gz RCTOOWYIMYGMAX-KCPJHIHWSA-N 0 3 323.234 3.154 10 30 DGEEHN Cn1cc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000248906866 432329180 /nfs/dbraw/zinc/32/91/80/432329180.db2.gz WUZYAUDNSXQOIR-GOEBONIOSA-N 0 3 315.442 3.046 10 30 DGEEHN N#Cc1ccc(OCCN[C@H]2CCCNc3ccccc32)cc1 ZINC000193008503 432438319 /nfs/dbraw/zinc/43/83/19/432438319.db2.gz NOXNFHCGFOGPNS-IBGZPJMESA-N 0 3 307.397 3.474 10 30 DGEEHN Cc1cccc2c1ncc(C)c2NCCCc1[nH]nc(N)c1C#N ZINC000185253465 432484881 /nfs/dbraw/zinc/48/48/81/432484881.db2.gz IGXZAFGMERZKIN-UHFFFAOYSA-N 0 3 320.400 3.073 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000185570966 432512103 /nfs/dbraw/zinc/51/21/03/432512103.db2.gz AYCPBGFHGCBFLB-AEFFLSMTSA-N 0 3 300.446 3.370 10 30 DGEEHN Cc1ccc(CN2CCCN(c3ccccc3C#N)CC2)c(C)n1 ZINC000186660813 432619071 /nfs/dbraw/zinc/61/90/71/432619071.db2.gz KZSFPIGZOVUHRS-UHFFFAOYSA-N 0 3 320.440 3.282 10 30 DGEEHN C=CC[C@@H](CO)N[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000186709729 432623883 /nfs/dbraw/zinc/62/38/83/432623883.db2.gz AAYZWWUWMQEIJF-FZMZJTMJSA-N 0 3 301.308 3.099 10 30 DGEEHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2ccccc2C)CC1 ZINC000264355990 432638218 /nfs/dbraw/zinc/63/82/18/432638218.db2.gz NMDYTSDQGBPJAC-MRXNPFEDSA-N 0 3 315.461 3.348 10 30 DGEEHN CN1CCC(Oc2ccc(NCc3ccc(C#N)cc3)cn2)CC1 ZINC000160071930 432706752 /nfs/dbraw/zinc/70/67/52/432706752.db2.gz OWKZQOAUAPOQPC-UHFFFAOYSA-N 0 3 322.412 3.038 10 30 DGEEHN Cc1ccc(NC2CCN(CCc3ccccc3)CC2)nc1C#N ZINC000189665284 432808926 /nfs/dbraw/zinc/80/89/26/432808926.db2.gz NEMXOLNWXOJASD-UHFFFAOYSA-N 0 3 320.440 3.381 10 30 DGEEHN COc1ccc([C@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000246002466 432873760 /nfs/dbraw/zinc/87/37/60/432873760.db2.gz JZABORGVJBERKO-WOJBJXKFSA-N 0 3 322.408 3.437 10 30 DGEEHN Cc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)c(C)c1 ZINC000330271697 432900648 /nfs/dbraw/zinc/90/06/48/432900648.db2.gz WIDCWWBNHQJZDE-JQFCIGGWSA-N 0 3 302.418 3.437 10 30 DGEEHN Cc1ccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)c(C)c1 ZINC000330271699 432900663 /nfs/dbraw/zinc/90/06/63/432900663.db2.gz WIDCWWBNHQJZDE-XKQJLSEDSA-N 0 3 302.418 3.437 10 30 DGEEHN C=CCn1c(C)nnc1N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000453439200 433187642 /nfs/dbraw/zinc/18/76/42/433187642.db2.gz KAUPXSUEKLRATN-UHFFFAOYSA-N 0 3 319.497 3.109 10 30 DGEEHN C=CCc1cc(CN(C(C)C)[C@@H]2CCOC2)cc(OC)c1O ZINC000291317069 433232791 /nfs/dbraw/zinc/23/27/91/433232791.db2.gz SFQCSZFRXNQFAQ-MRXNPFEDSA-N 0 3 305.418 3.129 10 30 DGEEHN C=CCCN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000374786503 433277022 /nfs/dbraw/zinc/27/70/22/433277022.db2.gz ZPYZMNPCTJVUIN-MRXNPFEDSA-N 0 3 324.428 3.418 10 30 DGEEHN C=CCCCN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000448033688 433356858 /nfs/dbraw/zinc/35/68/58/433356858.db2.gz YZOLBQMCDXGKTQ-DLBZAZTESA-N 0 3 308.853 3.268 10 30 DGEEHN C=CCCCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000447998310 433340877 /nfs/dbraw/zinc/34/08/77/433340877.db2.gz FROINCKKIRUCPK-IBGZPJMESA-N 0 3 315.461 3.307 10 30 DGEEHN C[C@@H](NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000283355962 433709346 /nfs/dbraw/zinc/70/93/46/433709346.db2.gz MUDDAKPQBDIMHS-UONOGXRCSA-N 0 3 317.433 3.464 10 30 DGEEHN Cc1cc(C#N)cc(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000303742132 433963907 /nfs/dbraw/zinc/96/39/07/433963907.db2.gz WMYMVZAUWIMTQG-UHFFFAOYSA-N 0 3 306.413 3.338 10 30 DGEEHN C=CCC[C@H](O)CN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000305100319 434038367 /nfs/dbraw/zinc/03/83/67/434038367.db2.gz XNCVVNRBMZSPSL-SFHVURJKSA-N 0 3 301.430 3.217 10 30 DGEEHN Cc1cc(C#N)cc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)n1 ZINC000324161461 434272981 /nfs/dbraw/zinc/27/29/81/434272981.db2.gz PPLUWBORZUWABO-MRXNPFEDSA-N 0 3 320.440 3.220 10 30 DGEEHN CC(=O)Nc1ccn([C@@H]2CCN(Cc3cc(C)oc3C)C2)n1 ZINC000328629537 434291284 /nfs/dbraw/zinc/29/12/84/434291284.db2.gz OXPDBTJAQNYYGQ-OAHLLOKOSA-N 0 3 302.378 3.148 10 30 DGEEHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328643964 434291948 /nfs/dbraw/zinc/29/19/48/434291948.db2.gz FPJHLGRZEVHXLX-JSSFPYSZSA-N 0 3 317.433 3.131 10 30 DGEEHN O=C(CN[C@H]1CCC(=O)NC12CCC2)Nc1cc(F)cc(F)c1 ZINC000328712449 434300544 /nfs/dbraw/zinc/30/05/44/434300544.db2.gz RSFDOLPNSISVRK-ZDUSSCGKSA-N 0 3 323.343 3.184 10 30 DGEEHN C[C@@H]1CCC[C@H](NC(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)[C@@H]1C ZINC000328904202 434325137 /nfs/dbraw/zinc/32/51/37/434325137.db2.gz IZBXZBKEXJBKSU-YYTKTWKHSA-N 0 3 321.465 3.255 10 30 DGEEHN C[C@H](NC(=O)CN[C@@H]1CCC(=O)N[C@H]1C1CC1)c1cccs1 ZINC000328922024 434327372 /nfs/dbraw/zinc/32/73/72/434327372.db2.gz UFOYMZVDUHWBOY-IETSOEAISA-N 0 3 321.446 3.253 10 30 DGEEHN CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358560627 434396254 /nfs/dbraw/zinc/39/62/54/434396254.db2.gz FKNYPKLQLMNYAD-IPGIQXSYSA-N 0 3 322.449 3.428 10 30 DGEEHN C[C@@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358566062 434397845 /nfs/dbraw/zinc/39/78/45/434397845.db2.gz ICOGHEPHQVVFAM-RYUDHWBXSA-N 0 3 306.381 3.468 10 30 DGEEHN C#Cc1ccc(CN2CC[C@@H](OCc3c(C)noc3C)C2)cc1 ZINC000370730476 434618905 /nfs/dbraw/zinc/61/89/05/434618905.db2.gz OJWSHXQDSDFRMT-GOSISDBHSA-N 0 3 310.397 3.064 10 30 DGEEHN C=CCS(=O)(=O)CCN[C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000371743422 434746632 /nfs/dbraw/zinc/74/66/32/434746632.db2.gz ITQDVVVHLWPQHL-MSOLQXFVSA-N 0 3 321.486 3.293 10 30 DGEEHN C#CCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000371624372 434732930 /nfs/dbraw/zinc/73/29/30/434732930.db2.gz KTVVNWGJKFJOFS-UXHICEINSA-N 0 3 324.468 3.446 10 30 DGEEHN C=CCN1CC[C@@H](N2C[C@@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000411992576 434852688 /nfs/dbraw/zinc/85/26/88/434852688.db2.gz VKGDZLFGCMWBBI-ZWKOTPCHSA-N 0 3 310.441 3.043 10 30 DGEEHN C=CCN1CCC(NC(=O)NCC[C@@H]2CCCC2(C)C)CC1 ZINC000527768310 435014788 /nfs/dbraw/zinc/01/47/88/435014788.db2.gz KZNHJLNPXYJYJW-HNNXBMFYSA-N 0 3 307.482 3.152 10 30 DGEEHN C=CCOc1cccc(CNC[C@H]2c3ccccc3C(=O)N2C)c1 ZINC000527804260 435015801 /nfs/dbraw/zinc/01/58/01/435015801.db2.gz CPLIFVXDTLKTRV-IBGZPJMESA-N 0 3 322.408 3.168 10 30 DGEEHN C=CC[C@H](CO)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000527889538 435016325 /nfs/dbraw/zinc/01/63/25/435016325.db2.gz FMWRYSJBKLCFMV-RKDXNWHRSA-N 0 3 320.177 3.315 10 30 DGEEHN CC#CCCN1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528580142 435026095 /nfs/dbraw/zinc/02/60/95/435026095.db2.gz YUBWLUXYLWOSFA-UHFFFAOYSA-N 0 3 301.434 3.395 10 30 DGEEHN C=CCCN(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000467103892 435109327 /nfs/dbraw/zinc/10/93/27/435109327.db2.gz KTFFYRSBVGUWNY-ZBFHGGJFSA-N 0 3 321.490 3.349 10 30 DGEEHN C=CCCCN(C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000533434916 435236346 /nfs/dbraw/zinc/23/63/46/435236346.db2.gz JVRFNPKXUIYQHH-SFHVURJKSA-N 0 3 302.462 3.440 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000565854517 435282716 /nfs/dbraw/zinc/28/27/16/435282716.db2.gz OERKVLOFBATTBQ-BQFCYCMXSA-N 0 3 300.446 3.368 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@H](C)[C@H]2CC3CCC2CC3)CC1 ZINC000566323680 435286274 /nfs/dbraw/zinc/28/62/74/435286274.db2.gz YSHZNZUEWJQNFL-YHOLWWCESA-N 0 3 319.493 3.151 10 30 DGEEHN C=CCOc1ccc(-c2nnc(SC[C@@H](C)N(C)C)o2)cc1 ZINC000479089796 435317381 /nfs/dbraw/zinc/31/73/81/435317381.db2.gz JVTQRKAKXRSPLG-GFCCVEGCSA-N 0 3 319.430 3.344 10 30 DGEEHN C=CCNC(=O)CN1CCC(CC)(Cc2ccccc2)CC1 ZINC000483131842 435498663 /nfs/dbraw/zinc/49/86/63/435498663.db2.gz SCRGTJAXJZKMBR-UHFFFAOYSA-N 0 3 300.446 3.024 10 30 DGEEHN CC(C)C1CCC(N2CCN(c3ccncc3C#N)CC2)CC1 ZINC000547835029 314401050 /nfs/dbraw/zinc/40/10/50/314401050.db2.gz YMZOFIXHPPBKKC-UHFFFAOYSA-N 0 3 312.461 3.290 10 30 DGEEHN C=CCC[C@@H](CO)NCc1ccc(Br)c(F)c1 ZINC000321066046 337193044 /nfs/dbraw/zinc/19/30/44/337193044.db2.gz YZAAGXWSVTVBQP-NSHDSACASA-N 0 3 302.187 3.005 10 30 DGEEHN C=CCC[C@H](CO)NCc1ccc(Br)c(F)c1 ZINC000321066043 337193054 /nfs/dbraw/zinc/19/30/54/337193054.db2.gz YZAAGXWSVTVBQP-LLVKDONJSA-N 0 3 302.187 3.005 10 30 DGEEHN C=CCc1cc(CNCCOCC2CCC2)cc(OC)c1O ZINC000582819127 337200109 /nfs/dbraw/zinc/20/01/09/337200109.db2.gz UJXMHCFTFGBEKT-UHFFFAOYSA-N 0 3 305.418 3.036 10 30 DGEEHN N#C[C@@H]1CCC[C@H](N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000248876706 337568198 /nfs/dbraw/zinc/56/81/98/337568198.db2.gz RCTOOWYIMYGMAX-UGFHNGPFSA-N 0 3 323.234 3.154 10 30 DGEEHN COc1ccc(OC)c(CN(CCCSCC#N)C2CC2)c1 ZINC000074980557 341158666 /nfs/dbraw/zinc/15/86/66/341158666.db2.gz WAMREROOKBALSS-UHFFFAOYSA-N 0 3 320.458 3.315 10 30 DGEEHN C=CCC[C@@H](O)CN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246860335 341358005 /nfs/dbraw/zinc/35/80/05/341358005.db2.gz POJAHZUBKIYHHM-DLBZAZTESA-N 0 3 305.393 3.190 10 30 DGEEHN C=CCN(CCc1cnn(CC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000348269635 526329178 /nfs/dbraw/zinc/32/91/78/526329178.db2.gz HXLSRVMKVJZGKB-UHFFFAOYSA-N 0 3 314.389 3.042 10 30 DGEEHN C=C(C)CN1CCC(NCc2nccn2Cc2ccccc2)CC1 ZINC000344241485 526603894 /nfs/dbraw/zinc/60/38/94/526603894.db2.gz WBTMZPUIMAHVQN-UHFFFAOYSA-N 0 3 324.472 3.062 10 30 DGEEHN C=C(C)COCCN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358967623 526657681 /nfs/dbraw/zinc/65/76/81/526657681.db2.gz UCGFYHUZWSNIDF-SFHVURJKSA-N 0 3 311.429 3.432 10 30 DGEEHN C=CCN[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429354012 526677711 /nfs/dbraw/zinc/67/77/11/526677711.db2.gz LPAOHBHAEXNLDS-APWZRJJASA-N 0 3 313.372 3.352 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000185171435 526710576 /nfs/dbraw/zinc/71/05/76/526710576.db2.gz VVUMUJPIKXHONU-HNNXBMFYSA-N 0 3 310.507 3.067 10 30 DGEEHN C=CCOc1ccc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cc1 ZINC000341051555 526846282 /nfs/dbraw/zinc/84/62/82/526846282.db2.gz FCHPUUTXDAGOHG-HZPDHXFCSA-N 0 3 316.445 3.244 10 30 DGEEHN C=CC[C@@H](CO)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000184276750 527103032 /nfs/dbraw/zinc/10/30/32/527103032.db2.gz HRLDOPQIXOAGGQ-IBGZPJMESA-N 0 3 322.408 3.164 10 30 DGEEHN C=CCCC[C@H](C)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000359509527 527275721 /nfs/dbraw/zinc/27/57/21/527275721.db2.gz RARWCWOMKZVXIT-KRWDZBQOSA-N 0 3 312.461 3.197 10 30 DGEEHN C=CCCN(C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000342740798 527318635 /nfs/dbraw/zinc/31/86/35/527318635.db2.gz XRUCJQKDZBYEEA-INIZCTEOSA-N 0 3 300.446 3.322 10 30 DGEEHN C=CCN(CC(F)(F)F)C(=O)C(C#N)CCc1ccccc1 ZINC000433316178 527586431 /nfs/dbraw/zinc/58/64/31/527586431.db2.gz FCDOMXKNJJWXQR-CQSZACIVSA-N 0 3 310.319 3.336 10 30 DGEEHN C=CCCC[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000180334181 546144709 /nfs/dbraw/zinc/14/47/09/546144709.db2.gz RXFXIIRBMHBAPH-WBVHZDCISA-N 0 3 303.450 3.333 10 30 DGEEHN C#Cc1cccc(NC(=S)N(C)[C@@H]2CCN(CC)C[C@@H]2C)c1 ZINC000741493140 574557885 /nfs/dbraw/zinc/55/78/85/574557885.db2.gz ROMUXSIQEMGIOC-WMLDXEAASA-N 0 3 315.486 3.027 10 30 DGEEHN C=C(Cl)CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000736399219 574747444 /nfs/dbraw/zinc/74/74/44/574747444.db2.gz VZWLRFNYZYHPTL-INIZCTEOSA-N 0 3 321.852 3.093 10 30 DGEEHN C=C(C)CNC(=S)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000741500515 574960283 /nfs/dbraw/zinc/96/02/83/574960283.db2.gz ZCGFKRLGXUNTSS-HIFRSBDPSA-N 0 3 323.531 3.171 10 30 DGEEHN C=CCOc1ccccc1CNCCN1CCc2ccccc21 ZINC000742718741 575014518 /nfs/dbraw/zinc/01/45/18/575014518.db2.gz ZDYNIKGSSUGFDD-UHFFFAOYSA-N 0 3 308.425 3.404 10 30 DGEEHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H](C)SC ZINC000728766880 576199194 /nfs/dbraw/zinc/19/91/94/576199194.db2.gz OFZYDIDWYPBLRL-SMDDNHRTSA-N 0 3 318.442 3.210 10 30 DGEEHN CC(C)(C)OC(=O)NC1CCC(N[C@H]2CCC[C@H]2C#N)CC1 ZINC000218107053 627103933 /nfs/dbraw/zinc/10/39/33/627103933.db2.gz XKAIXGRMLLZZIF-PPWQZUPISA-N 0 3 307.438 3.104 10 30 DGEEHN C#CCOc1ccccc1CN1CCC(OCC(C)C)CC1 ZINC000092223264 656023737 /nfs/dbraw/zinc/02/37/37/656023737.db2.gz JIEINXGSMPSKHH-UHFFFAOYSA-N 0 3 301.430 3.336 10 30 DGEEHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)OC1CCCCCC1 ZINC000162298433 656080246 /nfs/dbraw/zinc/08/02/46/656080246.db2.gz YORWONWTWIPQGY-HOCLYGCPSA-N 0 3 322.449 3.130 10 30 DGEEHN CO[C@H](C(=O)C(C#N)c1nc2ccccc2n1C)c1ccccc1 ZINC000122984391 656131649 /nfs/dbraw/zinc/13/16/49/656131649.db2.gz SHZXJBBPSQDRLQ-KDOFPFPSSA-N 0 3 319.364 3.137 10 30 DGEEHN C=CCOc1ccccc1CNCCN(C)C(=O)OC(C)(C)C ZINC000227761583 659163752 /nfs/dbraw/zinc/16/37/52/659163752.db2.gz STYFCLSFYFWGQQ-UHFFFAOYSA-N 0 3 320.433 3.208 10 30 DGEEHN CCCCCCCCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000173528006 659391206 /nfs/dbraw/zinc/39/12/06/659391206.db2.gz XVOIKFWRCWYFTP-QGZVFWFLSA-N 0 3 307.482 3.393 10 30 DGEEHN C=CCOc1ccccc1CNC[C@](C)(O)c1ccsc1 ZINC000077460839 662027561 /nfs/dbraw/zinc/02/75/61/662027561.db2.gz AMAZAUDHMVSIEA-KRWDZBQOSA-N 0 3 303.427 3.310 10 30 DGEEHN N#Cc1cccc(CN[C@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000088755415 185264162 /nfs/dbraw/zinc/26/41/62/185264162.db2.gz XUZPFKUIOSLKGM-HNNXBMFYSA-N 0 3 313.351 3.205 10 30 DGEEHN Cc1nc2c(s1)[C@H](NCCOc1ccc(C#N)cc1)CCC2 ZINC000090106968 185282468 /nfs/dbraw/zinc/28/24/68/185282468.db2.gz LUDVWBZCSJLDRS-OAHLLOKOSA-N 0 3 313.426 3.369 10 30 DGEEHN CC(C)C(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C ZINC000004281263 181092113 /nfs/dbraw/zinc/09/21/13/181092113.db2.gz PMKAVHDYJSQZOW-UHFFFAOYSA-N 0 3 305.447 3.374 10 30 DGEEHN CN(CCCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000179317073 432053649 /nfs/dbraw/zinc/05/36/49/432053649.db2.gz QTHFGZCHHVESJG-UHFFFAOYSA-N 0 3 304.397 3.271 10 30 DGEEHN N#Cc1ccccc1CSCCNCc1ccc2c[nH]nc2c1 ZINC000171131582 432106793 /nfs/dbraw/zinc/10/67/93/432106793.db2.gz GIVYGYQMTRWOMR-UHFFFAOYSA-N 0 3 322.437 3.458 10 30 DGEEHN N#Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)o1 ZINC000091966756 193133948 /nfs/dbraw/zinc/13/39/48/193133948.db2.gz NEMBAIQLHKSEPM-YJBOKZPZSA-N 0 3 314.360 3.378 10 30 DGEEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)NC1CCCCC1 ZINC000328851129 299363402 /nfs/dbraw/zinc/36/34/02/299363402.db2.gz UXVYWPZAVLBSOP-PEYYIBSZSA-N 0 3 307.438 3.151 10 30 DGEEHN N#Cc1csc(CN[C@@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000088755377 283942589 /nfs/dbraw/zinc/94/25/89/283942589.db2.gz STVPZTULZRMRSK-GFCCVEGCSA-N 0 3 319.380 3.266 10 30 DGEEHN C=CCN1CCC(NC(=O)Nc2ccc(CC)c(OC)c2)CC1 ZINC000455890699 242305889 /nfs/dbraw/zinc/30/58/89/242305889.db2.gz BTTWKMJCADKURT-UHFFFAOYSA-N 0 3 317.433 3.030 10 30 DGEEHN N#Cc1cccc(O[C@H](CN)c2cccc(Br)c2)c1 ZINC000043023212 183330465 /nfs/dbraw/zinc/33/04/65/183330465.db2.gz MBSLCWNRUKKSAR-OAHLLOKOSA-N 0 3 317.186 3.400 10 30 DGEEHN CCc1nccn1[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000106217170 194191596 /nfs/dbraw/zinc/19/15/96/194191596.db2.gz XRKFSOPVNDAYOX-KRWDZBQOSA-N 0 3 324.428 3.033 10 30 DGEEHN Cc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000616177059 400095149 /nfs/dbraw/zinc/09/51/49/400095149.db2.gz AQLVYLRCXBLXGO-GFCCVEGCSA-N 0 3 300.387 3.216 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)C1(C(F)(F)F)CC1)C(C)C ZINC000586842423 400167553 /nfs/dbraw/zinc/16/75/53/400167553.db2.gz SXSRZQVAOKMGND-ZDUSSCGKSA-N 0 3 318.383 3.144 10 30 DGEEHN C=C(C)CC[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000386794085 400263967 /nfs/dbraw/zinc/26/39/67/400263967.db2.gz AORHVDKNTVRWIK-UHFFFAOYSA-N 0 3 300.196 3.219 10 30 DGEEHN C=CCOCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611543964 400418684 /nfs/dbraw/zinc/41/86/84/400418684.db2.gz ZZXIKTDJJSDQOS-UHFFFAOYSA-N 0 3 302.330 3.147 10 30 DGEEHN C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc2ccccc2c1 ZINC000123184602 400466574 /nfs/dbraw/zinc/46/65/74/400466574.db2.gz JBRWTSUUHRZIDB-VLIAUNLRSA-N 0 3 321.424 3.299 10 30 DGEEHN C=CCN(CC=C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000046345450 400561010 /nfs/dbraw/zinc/56/10/10/400561010.db2.gz VAFBYNFXDSKMHX-GFCCVEGCSA-N 0 3 316.228 3.407 10 30 DGEEHN Cn1ccnc1C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000618569928 400625864 /nfs/dbraw/zinc/62/58/64/400625864.db2.gz HXEHDUHMQUULSB-JQHSSLGASA-N 0 3 308.429 3.376 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000151845083 400676022 /nfs/dbraw/zinc/67/60/22/400676022.db2.gz GAZWQKIGQSMTIR-SFHVURJKSA-N 0 3 315.461 3.431 10 30 DGEEHN N#Cc1ccc(NC[C@@H]2CCCCN2Cc2ccccc2)nc1 ZINC000065201907 401259752 /nfs/dbraw/zinc/25/97/52/401259752.db2.gz OUDUGUMDFZFYEZ-SFHVURJKSA-N 0 3 306.413 3.420 10 30 DGEEHN C=CCCC[C@H](C)N(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142493 401311527 /nfs/dbraw/zinc/31/15/27/401311527.db2.gz KARLHUBIDWKPCV-AWEZNQCLSA-N 0 3 318.417 3.073 10 30 DGEEHN C=C(C)CN1CCC(NCc2nc3cc(F)ccc3o2)CC1 ZINC000634960587 401389539 /nfs/dbraw/zinc/38/95/39/401389539.db2.gz WDEYNMXWDMWGAE-UHFFFAOYSA-N 0 3 303.381 3.097 10 30 DGEEHN C=CC(C)(C)CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000623415334 401511925 /nfs/dbraw/zinc/51/19/25/401511925.db2.gz HUEXGWQDCZCZKD-UHFFFAOYSA-N 0 3 303.450 3.150 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000623814457 401582635 /nfs/dbraw/zinc/58/26/35/401582635.db2.gz GDICWDSLFGUJQU-NJAFHUGGSA-N 0 3 313.445 3.039 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000623597072 401553006 /nfs/dbraw/zinc/55/30/06/401553006.db2.gz VUTQUODANHDPTL-IRXDYDNUSA-N 0 3 315.461 3.115 10 30 DGEEHN N#Cc1ccc(OCCN[C@H]2CCCc3c(O)cccc32)cc1 ZINC000192367148 165290859 /nfs/dbraw/zinc/29/08/59/165290859.db2.gz KFXLYZVVUCYZEJ-SFHVURJKSA-N 0 3 308.381 3.310 10 30 DGEEHN Cc1cccc(NC[C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)n1 ZINC000171650667 432156657 /nfs/dbraw/zinc/15/66/57/432156657.db2.gz SBVLQLRVEOMWIF-INIZCTEOSA-N 0 3 324.403 3.335 10 30 DGEEHN CCN1CCC[C@H](Nc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000171819262 432175176 /nfs/dbraw/zinc/17/51/76/432175176.db2.gz OOSLJAUIVMUTEI-ZDUSSCGKSA-N 0 3 316.355 3.281 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000172075687 432195056 /nfs/dbraw/zinc/19/50/56/432195056.db2.gz OOZJAHWCLGLCRI-IBGZPJMESA-N 0 3 317.477 3.169 10 30 DGEEHN CC[C@@H](C)N[C@@H](CNC(=O)c1sccc1C#N)c1ccco1 ZINC000359548149 266362781 /nfs/dbraw/zinc/36/27/81/266362781.db2.gz UBUIMAZURXZNTN-YPMHNXCESA-N 0 3 317.414 3.072 10 30 DGEEHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N1CCC(C)CC1 ZINC000358594772 267162108 /nfs/dbraw/zinc/16/21/08/267162108.db2.gz UDUVMJORIXSOAO-CABCVRRESA-N 0 3 303.425 3.468 10 30 DGEEHN C[C@H](NCCN(C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358578615 267182382 /nfs/dbraw/zinc/18/23/82/267182382.db2.gz VSCKSYNPWMDOCL-HNNXBMFYSA-N 0 3 311.404 3.480 10 30 DGEEHN N#Cc1ncccc1NC[C@H]1CCCCN1Cc1ccccc1 ZINC000357192917 268327514 /nfs/dbraw/zinc/32/75/14/268327514.db2.gz ULDFNIGYNBXAIA-QGZVFWFLSA-N 0 3 306.413 3.420 10 30 DGEEHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000159641120 275382155 /nfs/dbraw/zinc/38/21/55/275382155.db2.gz SHKSQBYAVFPTLQ-DNVCBOLYSA-N 0 3 310.441 3.086 10 30 DGEEHN C=CCCCN(C)CC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000076737669 431563170 /nfs/dbraw/zinc/56/31/70/431563170.db2.gz HKZAAZCXAQPQLB-HNNXBMFYSA-N 0 3 304.434 3.113 10 30 DGEEHN CCOCc1ccccc1CNCc1cnc2ccc(C#N)cn12 ZINC000123224192 431859270 /nfs/dbraw/zinc/85/92/70/431859270.db2.gz BDPMFKORSUNLTM-UHFFFAOYSA-N 0 3 320.396 3.032 10 30 DGEEHN CCCOc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000123341571 431862363 /nfs/dbraw/zinc/86/23/63/431862363.db2.gz XUXGFTKHDUAHLL-UHFFFAOYSA-N 0 3 320.396 3.285 10 30 DGEEHN N#Cc1ccc2ncc(CNCCc3ccc(Cl)s3)n2c1 ZINC000123340236 431862543 /nfs/dbraw/zinc/86/25/43/431862543.db2.gz KEBLMGYYRWJKSA-UHFFFAOYSA-N 0 3 316.817 3.253 10 30 DGEEHN CN(C)C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000125308946 431921287 /nfs/dbraw/zinc/92/12/87/431921287.db2.gz BMCSJBVVOVPCFM-SFHVURJKSA-N 0 3 322.412 3.177 10 30 DGEEHN C=CCOc1c(Br)cc(CN(C)CC)cc1OC ZINC000126288415 431946296 /nfs/dbraw/zinc/94/62/96/431946296.db2.gz XBBISOQNZKDHSX-UHFFFAOYSA-N 0 3 314.223 3.474 10 30 DGEEHN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000151863067 432283364 /nfs/dbraw/zinc/28/33/64/432283364.db2.gz IBOKRHXXHADKSC-MAUKXSAKSA-N 0 3 321.424 3.496 10 30 DGEEHN N#Cc1ccc(OCCNCc2cc(F)c(F)c(F)c2)cc1 ZINC000174560855 432356755 /nfs/dbraw/zinc/35/67/55/432356755.db2.gz SEVNKEPTVCCWOQ-UHFFFAOYSA-N 0 3 306.287 3.144 10 30 DGEEHN C[C@@H](CNCc1cnc2ccc(C#N)cn12)Sc1ccccc1 ZINC000174608041 432359632 /nfs/dbraw/zinc/35/96/32/432359632.db2.gz SXWUYELYUZGOMS-AWEZNQCLSA-N 0 3 322.437 3.476 10 30 DGEEHN CCO[C@@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)C12CCCC2 ZINC000174654216 432361029 /nfs/dbraw/zinc/36/10/29/432361029.db2.gz IQRXXKODFZDRNP-DLBZAZTESA-N 0 3 324.428 3.033 10 30 DGEEHN CCO[C@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)C12CCCC2 ZINC000174654229 432361404 /nfs/dbraw/zinc/36/14/04/432361404.db2.gz IQRXXKODFZDRNP-IRXDYDNUSA-N 0 3 324.428 3.033 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000185147145 432470986 /nfs/dbraw/zinc/47/09/86/432470986.db2.gz AYMGDGMUIOYNOC-OAHLLOKOSA-N 0 3 304.434 3.305 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000185988130 432551876 /nfs/dbraw/zinc/55/18/76/432551876.db2.gz JFSDUAVAVCPPRJ-OAHLLOKOSA-N 0 3 301.434 3.017 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000186149146 432561655 /nfs/dbraw/zinc/56/16/55/432561655.db2.gz UCOXUOOMYUVHHC-AWEZNQCLSA-N 0 3 304.438 3.081 10 30 DGEEHN CN(C)Cc1cc(CNCc2ccc(C#N)s2)ccc1F ZINC000176970564 432571429 /nfs/dbraw/zinc/57/14/29/432571429.db2.gz DGMAMZDJDRYKHM-UHFFFAOYSA-N 0 3 303.406 3.110 10 30 DGEEHN C=CCNC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000156480766 432598585 /nfs/dbraw/zinc/59/85/85/432598585.db2.gz LQTRQHGQPNXJCT-DOTOQJQBSA-N 0 3 301.434 3.039 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000186707697 432624003 /nfs/dbraw/zinc/62/40/03/432624003.db2.gz GLVXDFAHIINSFH-FZMZJTMJSA-N 0 3 303.431 3.101 10 30 DGEEHN C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187545049 432669368 /nfs/dbraw/zinc/66/93/68/432669368.db2.gz YUAFKSRXAZVGTR-PWSUYJOCSA-N 0 3 314.223 3.051 10 30 DGEEHN C=C(C)[C@H](NC[C@@H](O)COC(C)(C)C)c1ccc(F)c(F)c1 ZINC000187757291 432683695 /nfs/dbraw/zinc/68/36/95/432683695.db2.gz QYZOCEAMLGNXAX-CJNGLKHVSA-N 0 3 313.388 3.348 10 30 DGEEHN C=CC[C@@H](CO)N[C@H](C)c1ccc(Br)cc1F ZINC000188457613 432727224 /nfs/dbraw/zinc/72/72/24/432727224.db2.gz CCNLCNPVPITVSG-KOLCDFICSA-N 0 3 302.187 3.176 10 30 DGEEHN CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000179013576 432796415 /nfs/dbraw/zinc/79/64/15/432796415.db2.gz PJOFTVDUSMKQJX-MSOLQXFVSA-N 0 3 320.396 3.125 10 30 DGEEHN CN(CCC#N)c1ccc(CN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000245788203 432863230 /nfs/dbraw/zinc/86/32/30/432863230.db2.gz VPUVDOJERYLVPM-IBGZPJMESA-N 0 3 323.444 3.487 10 30 DGEEHN CN1CC[C@H](NCc2ccc(C#N)o2)[C@H]1c1ccc(Cl)cc1 ZINC000245903283 432869173 /nfs/dbraw/zinc/86/91/73/432869173.db2.gz QEQMIFLLHIKCDQ-DLBZAZTESA-N 0 3 315.804 3.340 10 30 DGEEHN Cc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)cc1F ZINC000330206549 432897244 /nfs/dbraw/zinc/89/72/44/432897244.db2.gz DJXYCNDIVFEOAJ-KNXALSJPSA-N 0 3 306.381 3.268 10 30 DGEEHN Cc1ccc(C)c(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000330258839 432901036 /nfs/dbraw/zinc/90/10/36/432901036.db2.gz MUKWMIAOWZYDEV-LXZKKBNFSA-N 0 3 302.418 3.437 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000330269146 432901053 /nfs/dbraw/zinc/90/10/53/432901053.db2.gz RSLNMWACECQGSQ-RJIBLYRGSA-N 0 3 310.344 3.098 10 30 DGEEHN C=CCCCNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000447968926 433337315 /nfs/dbraw/zinc/33/73/15/433337315.db2.gz SVZLNRJJSPLMBO-KRWDZBQOSA-N 0 3 303.450 3.335 10 30 DGEEHN N#Cc1ccc(N2CCN3CCCC[C@@H]3C2)cc1C(F)(F)F ZINC000301225178 433459683 /nfs/dbraw/zinc/45/96/83/433459683.db2.gz FTIOZKIMESHNBL-CQSZACIVSA-N 0 3 309.335 3.252 10 30 DGEEHN C#CCCN1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000362458352 433726552 /nfs/dbraw/zinc/72/65/52/433726552.db2.gz ZEDAFXTVXUAYRJ-INIZCTEOSA-N 0 3 302.805 3.111 10 30 DGEEHN C=C(CNC(=O)CCN1CCc2ccccc2C1)c1ccccc1 ZINC000416234106 434065788 /nfs/dbraw/zinc/06/57/88/434065788.db2.gz LZGQLRXBSBJLML-UHFFFAOYSA-N 0 3 320.436 3.264 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000416333431 434103516 /nfs/dbraw/zinc/10/35/16/434103516.db2.gz LMYXMKVPKPXFLV-CQSZACIVSA-N 0 3 320.433 3.176 10 30 DGEEHN CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+]C1CCCCC1)C2 ZINC000329236889 434377945 /nfs/dbraw/zinc/37/79/45/434377945.db2.gz OQZAOCPVSZJVLE-AWEZNQCLSA-N 0 3 318.465 3.332 10 30 DGEEHN C[C@@H](CN(C)Cc1ccccc1)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000393889687 434398166 /nfs/dbraw/zinc/39/81/66/434398166.db2.gz YYGZSUVUCPJKIZ-AWEZNQCLSA-N 0 3 324.384 3.399 10 30 DGEEHN C[C@H](NC[C@H](c1ccco1)N(C)C)c1ccc(C#N)cc1F ZINC000358577802 434398466 /nfs/dbraw/zinc/39/84/66/434398466.db2.gz VGYDPMMXWSZCFI-BLLLJJGKSA-N 0 3 301.365 3.244 10 30 DGEEHN C[C@@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(C#N)cc1F ZINC000358577809 434399441 /nfs/dbraw/zinc/39/94/41/434399441.db2.gz VGYDPMMXWSZCFI-WBMJQRKESA-N 0 3 301.365 3.244 10 30 DGEEHN C[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000358566058 434399778 /nfs/dbraw/zinc/39/97/78/434399778.db2.gz ICOGHEPHQVVFAM-NWDGAFQWSA-N 0 3 306.381 3.468 10 30 DGEEHN C[C@@H]1CC[C@H]([NH+]=C([O-])N[C@H]2CCc3nc[nH]c3C2)c2ccccc21 ZINC000329729772 434468722 /nfs/dbraw/zinc/46/87/22/434468722.db2.gz PIAVEUCTQBDUPO-WWGRRREGSA-N 0 3 324.428 3.409 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287954767 434487152 /nfs/dbraw/zinc/48/71/52/434487152.db2.gz ICXRNPLCESNFNS-WBVHZDCISA-N 0 3 303.450 3.285 10 30 DGEEHN Cc1cc(C#N)nc(N[C@@H](CN(C)Cc2ccccc2)C(C)C)n1 ZINC000398144188 434457679 /nfs/dbraw/zinc/45/76/79/434457679.db2.gz NFVGETVNCDXCRK-SFHVURJKSA-N 0 3 323.444 3.225 10 30 DGEEHN C=CCn1c(SC[C@@H](C)N(C)C)nnc1-c1cccc(C)c1 ZINC000460451401 434758299 /nfs/dbraw/zinc/75/82/99/434758299.db2.gz POHJDSVOQPDYDO-CQSZACIVSA-N 0 3 316.474 3.482 10 30 DGEEHN C=CCC1(C(=O)Nc2cc(CN(C)C)ccc2C)CCOCC1 ZINC000424708721 434784888 /nfs/dbraw/zinc/78/48/88/434784888.db2.gz RWUKEJCUSCQYAF-UHFFFAOYSA-N 0 3 316.445 3.368 10 30 DGEEHN C=CCN1CC[C@H](N2CC[C@@H](c3cccc(F)c3)C2(C)C)C1=O ZINC000528773085 435029222 /nfs/dbraw/zinc/02/92/22/435029222.db2.gz GTGBLLFWTUCCIU-IRXDYDNUSA-N 0 3 316.420 3.181 10 30 DGEEHN C=CCCCCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000565225429 435277186 /nfs/dbraw/zinc/27/71/86/435277186.db2.gz PWSLABBYJRBCBS-UHFFFAOYSA-N 0 3 303.406 3.037 10 30 DGEEHN C=CCCCCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000565205703 435277913 /nfs/dbraw/zinc/27/79/13/435277913.db2.gz CUDLYIAVZHOJIE-SFHVURJKSA-N 0 3 315.461 3.156 10 30 DGEEHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000537186137 435428960 /nfs/dbraw/zinc/42/89/60/435428960.db2.gz IZFHEIHEYQHDHY-CGTJXYLNSA-N 0 3 315.461 3.476 10 30 DGEEHN CC#CCN[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000484529476 435545535 /nfs/dbraw/zinc/54/55/35/435545535.db2.gz DQEWDKIOBOTVHU-QGZVFWFLSA-N 0 3 306.400 3.493 10 30 DGEEHN C=CCOc1cccc(NC(=O)CCN(C)c2ccncc2)c1 ZINC000541855623 435644914 /nfs/dbraw/zinc/64/49/14/435644914.db2.gz KIRZDVRSENSBBW-UHFFFAOYSA-N 0 3 311.385 3.111 10 30 DGEEHN Cc1cccc(O[C@H](C)CNCc2cnc3ccc(C#N)cn23)c1 ZINC000174571460 312764105 /nfs/dbraw/zinc/76/41/05/312764105.db2.gz UAOZQKYHHTWGLN-OAHLLOKOSA-N 0 3 320.396 3.072 10 30 DGEEHN COc1ccc([C@H](C)NCCOc2cccc(C#N)c2)cc1F ZINC000182031087 323280681 /nfs/dbraw/zinc/28/06/81/323280681.db2.gz VLPLRHDEMHQYMT-ZDUSSCGKSA-N 0 3 314.360 3.436 10 30 DGEEHN C=CCSc1ccccc1NC(=O)CN[C@@H]1CCOC1(C)C ZINC000295207135 335131055 /nfs/dbraw/zinc/13/10/55/335131055.db2.gz LPTIJGSTVFTCCE-OAHLLOKOSA-N 0 3 320.458 3.060 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000171695809 337088371 /nfs/dbraw/zinc/08/83/71/337088371.db2.gz HPBFQZWCSQFFMU-SFHVURJKSA-N 0 3 313.445 3.014 10 30 DGEEHN C=CC[C@H](C)[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000080203258 337823926 /nfs/dbraw/zinc/82/39/26/337823926.db2.gz CGENNWXHDHLSKH-VIFPVBQESA-N 0 3 300.196 3.218 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000542323639 341005248 /nfs/dbraw/zinc/00/52/48/341005248.db2.gz WDVZMYQQSNZPLV-MJGOQNOKSA-N 0 3 312.457 3.373 10 30 DGEEHN C=CCOc1cccc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000544609301 341088633 /nfs/dbraw/zinc/08/86/33/341088633.db2.gz KKSDGVWKULAIAH-ZWKOTPCHSA-N 0 3 303.446 3.480 10 30 DGEEHN C=CCC[C@@H](O)CN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134823719 341224746 /nfs/dbraw/zinc/22/47/46/341224746.db2.gz POJAHZUBKIYHHM-IAGOWNOFSA-N 0 3 305.393 3.190 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@@H](C)[C@H](OC)C2)cc1OC ZINC000249153355 341394793 /nfs/dbraw/zinc/39/47/93/341394793.db2.gz HSWKJQUDTAHBDS-RDTXWAMCSA-N 0 3 305.418 3.117 10 30 DGEEHN C=CCOc1ccc(CN2CCC(CCC(=O)OC)CC2)cc1 ZINC000093341394 341468389 /nfs/dbraw/zinc/46/83/89/341468389.db2.gz AKXIDVANBHMAAV-UHFFFAOYSA-N 0 3 317.429 3.417 10 30 DGEEHN C=CCN(CCc1ccccc1)Cc1cc(-c2cnn(C)c2)no1 ZINC000184989531 526313516 /nfs/dbraw/zinc/31/35/16/526313516.db2.gz FBYJUUAFWZLAKX-UHFFFAOYSA-N 0 3 322.412 3.306 10 30 DGEEHN C=C(C)CN1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000441218888 526607221 /nfs/dbraw/zinc/60/72/21/526607221.db2.gz UORFKOLKHUPYKI-VQIMIIECSA-N 0 3 301.478 3.498 10 30 DGEEHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181313570 526636014 /nfs/dbraw/zinc/63/60/14/526636014.db2.gz OTAHLNADZMGFGD-GJZGRUSLSA-N 0 3 309.413 3.090 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000185094360 526711042 /nfs/dbraw/zinc/71/10/42/526711042.db2.gz JUTKQNGRIVIZQF-INIZCTEOSA-N 0 3 300.446 3.153 10 30 DGEEHN C=CCOc1ccc(CNCc2cnc3nc(C)cc(C)n23)cc1 ZINC000352951426 526888006 /nfs/dbraw/zinc/88/80/06/526888006.db2.gz MVKQMAXUYOHMKU-UHFFFAOYSA-N 0 3 322.412 3.201 10 30 DGEEHN C=CCOc1ccccc1CNCCc1cnc(C2CC2)nc1 ZINC000339503422 526949176 /nfs/dbraw/zinc/94/91/76/526949176.db2.gz BCZNQTBGVNTDHQ-UHFFFAOYSA-N 0 3 309.413 3.251 10 30 DGEEHN C=CC[C@@H](CO)N[C@H](C)c1ccc(Br)c(F)c1 ZINC000349750902 527103425 /nfs/dbraw/zinc/10/34/25/527103425.db2.gz XSVSONRFXOPWKC-KOLCDFICSA-N 0 3 302.187 3.176 10 30 DGEEHN C=CCCCN(C)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000346970710 527191461 /nfs/dbraw/zinc/19/14/61/527191461.db2.gz YEKWECGUEWMEQT-UHFFFAOYSA-N 0 3 300.446 3.384 10 30 DGEEHN C=CC[C@H](CO)NCc1cc(Cl)c(OCCC)c(OC)c1 ZINC000184271351 527208855 /nfs/dbraw/zinc/20/88/55/527208855.db2.gz YKEYJRKOVTYVDS-CYBMUJFWSA-N 0 3 313.825 3.164 10 30 DGEEHN C=CC[C@H](CO)NCc1ccc(Br)cc1Cl ZINC000184284777 527208939 /nfs/dbraw/zinc/20/89/39/527208939.db2.gz LMYNPOSPDSGXJF-LLVKDONJSA-N 0 3 304.615 3.129 10 30 DGEEHN C=CCCOCCN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358964227 527370113 /nfs/dbraw/zinc/37/01/13/527370113.db2.gz KFRZXTUQMJBYMK-SFHVURJKSA-N 0 3 311.429 3.432 10 30 DGEEHN C=CCC[C@H](NC(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000131047852 527477450 /nfs/dbraw/zinc/47/74/50/527477450.db2.gz GKWZVSJMSZEZTK-IRXDYDNUSA-N 0 3 301.434 3.039 10 30 DGEEHN CC[C@](C)(C#N)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000354831707 529349806 /nfs/dbraw/zinc/34/98/06/529349806.db2.gz ZOGIITSUYNKTMP-MOPGFXCFSA-N 0 3 313.445 3.097 10 30 DGEEHN COc1cccc2c1CCN(Cc1ccc(C#N)c(C)c1)CC2 ZINC000489565776 536942562 /nfs/dbraw/zinc/94/25/62/536942562.db2.gz GEURYAAPMSKOIG-UHFFFAOYSA-N 0 3 306.409 3.476 10 30 DGEEHN C=CCCC[C@@H](C)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000180334214 546144833 /nfs/dbraw/zinc/14/48/33/546144833.db2.gz RXFXIIRBMHBAPH-NVXWUHKLSA-N 0 3 303.450 3.333 10 30 DGEEHN C#Cc1cccc(NC(=S)NCCN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000730731944 574534996 /nfs/dbraw/zinc/53/49/96/574534996.db2.gz SMUMKUFUUZNFMV-GJZGRUSLSA-N 0 3 315.486 3.217 10 30 DGEEHN C#Cc1cccc(NC(=S)N(C)[C@H]2CCN(CC)C[C@@H]2C)c1 ZINC000741493145 574557818 /nfs/dbraw/zinc/55/78/18/574557818.db2.gz ROMUXSIQEMGIOC-YOEHRIQHSA-N 0 3 315.486 3.027 10 30 DGEEHN C=C(Cl)CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000736399221 574747701 /nfs/dbraw/zinc/74/77/01/574747701.db2.gz VZWLRFNYZYHPTL-MRXNPFEDSA-N 0 3 321.852 3.093 10 30 DGEEHN COc1ccc(CN[C@@H]2C[C@H](OCC(C)C)C2(C)C)cc1C#N ZINC000742372142 574993373 /nfs/dbraw/zinc/99/33/73/574993373.db2.gz SMMHCFRFWQLLBJ-MSOLQXFVSA-N 0 3 316.445 3.496 10 30 DGEEHN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)O1 ZINC000121550353 630693604 /nfs/dbraw/zinc/69/36/04/630693604.db2.gz LFIPHZHLVFKZGM-SRCQZFHVSA-N 0 3 322.364 3.055 10 30 DGEEHN C#CC[C@@H](COC)NCc1cc(Br)c(Cl)s1 ZINC000716934279 661234110 /nfs/dbraw/zinc/23/41/10/661234110.db2.gz JMBMKTIYMISIIU-QMMMGPOBSA-N 0 3 322.655 3.292 10 30 DGEEHN C#CC[C@H](COC)NCc1ccc(OCc2ccccc2)cc1 ZINC000716933547 661234137 /nfs/dbraw/zinc/23/41/37/661234137.db2.gz ITGVKDVCUFCAMD-LJQANCHMSA-N 0 3 309.409 3.394 10 30 DGEEHN CC[C@H](C#N)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000719960388 662299853 /nfs/dbraw/zinc/29/98/53/662299853.db2.gz VZQZHBBUUCUJFR-MSOLQXFVSA-N 0 3 313.445 3.049 10 30 DGEEHN C=CCCOCCNCc1c(C)nn(Cc2ccccc2)c1C ZINC000120872981 1200179217 /nfs/dbraw/zinc/17/92/17/1200179217.db2.gz YMXNHQQHLFSVEY-UHFFFAOYSA-N 0 3 313.445 3.231 10 30 DGEEHN CC[C@@](C)(C#N)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000354831721 529489534 /nfs/dbraw/zinc/48/95/34/529489534.db2.gz ZOGIITSUYNKTMP-RBUKOAKNSA-N 0 3 313.445 3.097 10 30 DGEEHN C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@@H]1n1ccnc1 ZINC000129437984 432005904 /nfs/dbraw/zinc/00/59/04/432005904.db2.gz UHENEZVIMGOORC-YJBOKZPZSA-N 0 3 313.832 3.471 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182073525 199383720 /nfs/dbraw/zinc/38/37/20/199383720.db2.gz ZOAVXDWWMZXKTO-INIZCTEOSA-N 0 3 321.424 3.117 10 30 DGEEHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(-n2cncn2)cc1 ZINC000179593393 432063862 /nfs/dbraw/zinc/06/38/62/432063862.db2.gz IZQQGQUUFYQDGL-ZDUSSCGKSA-N 0 3 321.359 3.129 10 30 DGEEHN C=CCCCC[C@@H](C)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000449241175 240086430 /nfs/dbraw/zinc/08/64/30/240086430.db2.gz RSCNOYVODUJODE-WBVHZDCISA-N 0 3 301.434 3.302 10 30 DGEEHN C=CCCCC[C@H](C)NCc1cccc(N2CCOCC2)n1 ZINC000449258738 240096198 /nfs/dbraw/zinc/09/61/98/240096198.db2.gz QRQRJWKWPKKECQ-INIZCTEOSA-N 0 3 303.450 3.143 10 30 DGEEHN C=CCCc1ccccc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000455384111 242185881 /nfs/dbraw/zinc/18/58/81/242185881.db2.gz NWIFBHHDIQQQNL-LJQANCHMSA-N 0 3 313.445 3.365 10 30 DGEEHN C=CC(C)(C)CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000458982517 243218306 /nfs/dbraw/zinc/21/83/06/243218306.db2.gz AZNHHFLRCMJBMH-KRWDZBQOSA-N 0 3 315.461 3.115 10 30 DGEEHN CCS[C@H]1CC[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000093868674 193320866 /nfs/dbraw/zinc/32/08/66/193320866.db2.gz SIFIHDYLNQSMIM-ZBFHGGJFSA-N 0 3 314.458 3.312 10 30 DGEEHN CCc1ccc([C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000121494744 284198546 /nfs/dbraw/zinc/19/85/46/284198546.db2.gz FCXPKEKKPJMTHY-HNAYVOBHSA-N 0 3 324.424 3.211 10 30 DGEEHN C=CCSCCNCc1cnc(-c2ccccc2OC)nc1 ZINC000490894107 245442673 /nfs/dbraw/zinc/44/26/73/245442673.db2.gz KXDSEPFPJJJOQE-UHFFFAOYSA-N 0 3 315.442 3.161 10 30 DGEEHN CCOCCN1CCN([C@H](C)c2ccc(C#N)cc2)C[C@H]1CC ZINC000246476734 432136773 /nfs/dbraw/zinc/13/67/73/432136773.db2.gz XZWKDHJEEQEWRX-VQIMIIECSA-N 0 3 315.461 3.052 10 30 DGEEHN C=CC[C@H]1CCCC[C@@H]1NC(=O)CCN(C)c1ccncc1 ZINC000617041925 400290881 /nfs/dbraw/zinc/29/08/81/400290881.db2.gz KZSQCPMFWBNYGP-RDJZCZTQSA-N 0 3 301.434 3.159 10 30 DGEEHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCN(C)c1ccncc1 ZINC000617041926 400291274 /nfs/dbraw/zinc/29/12/74/400291274.db2.gz KZSQCPMFWBNYGP-WBVHZDCISA-N 0 3 301.434 3.159 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NC2CCC(CC)CC2)CC1 ZINC000106263171 400326430 /nfs/dbraw/zinc/32/64/30/400326430.db2.gz DTUIDOMEFGUSSI-UHFFFAOYSA-N 0 3 307.482 3.295 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000076737090 400669258 /nfs/dbraw/zinc/66/92/58/400669258.db2.gz AKVZQYUREDEEFE-AWEZNQCLSA-N 0 3 304.459 3.412 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000076974267 400682523 /nfs/dbraw/zinc/68/25/23/400682523.db2.gz JHERJAFNDUIYHS-MRXNPFEDSA-N 0 3 303.450 3.115 10 30 DGEEHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182017010 400890670 /nfs/dbraw/zinc/89/06/70/400890670.db2.gz HHLWDAJVNUXQBC-OAHLLOKOSA-N 0 3 320.371 3.109 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccncc1CC)C(C)C ZINC000182510603 400892847 /nfs/dbraw/zinc/89/28/47/400892847.db2.gz LMDHLRWYDUYWSJ-SFHVURJKSA-N 0 3 315.461 3.072 10 30 DGEEHN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594424896 401061669 /nfs/dbraw/zinc/06/16/69/401061669.db2.gz DLKMBYOPOCCVTC-MAUKXSAKSA-N 0 3 313.445 3.225 10 30 DGEEHN N#CCCCC[C@H](N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000594601648 401126805 /nfs/dbraw/zinc/12/68/05/401126805.db2.gz YLLMYBLGEIKITM-LBPRGKRZSA-N 0 3 300.189 3.343 10 30 DGEEHN C=CC[C@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000625701377 401186018 /nfs/dbraw/zinc/18/60/18/401186018.db2.gz QPHZOSXOBMEVCB-KGLIPLIRSA-N 0 3 322.399 3.382 10 30 DGEEHN C=CC[C@@H]1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000625701378 401186166 /nfs/dbraw/zinc/18/61/66/401186166.db2.gz QPHZOSXOBMEVCB-UONOGXRCSA-N 0 3 322.399 3.382 10 30 DGEEHN C=CC[C@H]1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2OC)C1 ZINC000625701407 401186479 /nfs/dbraw/zinc/18/64/79/401186479.db2.gz RDVYEXHVRMMTEZ-HOTGVXAUSA-N 0 3 316.445 3.113 10 30 DGEEHN C=CC(C)(C)CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000625899892 401245960 /nfs/dbraw/zinc/24/59/60/401245960.db2.gz FPHGYACVRYYQSZ-INIZCTEOSA-N 0 3 317.433 3.071 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000627071693 401439341 /nfs/dbraw/zinc/43/93/41/401439341.db2.gz SXKLJAXHCDAVNQ-YJBOKZPZSA-N 0 3 315.461 3.417 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000627071691 401439390 /nfs/dbraw/zinc/43/93/90/401439390.db2.gz SXKLJAXHCDAVNQ-MAUKXSAKSA-N 0 3 315.461 3.417 10 30 DGEEHN C=CCOc1c(Cl)cc(CNC(C)(C)[C@H](C)O)cc1OC ZINC000623477007 401527273 /nfs/dbraw/zinc/52/72/73/401527273.db2.gz YITGZNMKXBTKET-NSHDSACASA-N 0 3 313.825 3.162 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000623566090 401547606 /nfs/dbraw/zinc/54/76/06/401547606.db2.gz GHZGWKGZNZOUAB-AEFFLSMTSA-N 0 3 315.461 3.205 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000623597071 401552762 /nfs/dbraw/zinc/55/27/62/401552762.db2.gz VUTQUODANHDPTL-IAGOWNOFSA-N 0 3 315.461 3.115 10 30 DGEEHN C=CCN1CCC(NC(=O)NCC(C)(C)C(F)(F)CC)CC1 ZINC000623634905 401559663 /nfs/dbraw/zinc/55/96/63/401559663.db2.gz FZBITLQLZVIDRH-UHFFFAOYSA-N 0 3 317.424 3.008 10 30 DGEEHN C=C[C@H](CC(=O)NC[C@H]1CCN1C1CCCC1)c1ccccc1 ZINC000628965194 401651043 /nfs/dbraw/zinc/65/10/43/401651043.db2.gz KOKIXOJGUYEKQG-VQIMIIECSA-N 0 3 312.457 3.479 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000187232266 165082937 /nfs/dbraw/zinc/08/29/37/165082937.db2.gz ZXOXYTQVTUOCFR-DNVCBOLYSA-N 0 3 321.424 3.288 10 30 DGEEHN Cn1cc(CN2CCC[C@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000191438025 165249682 /nfs/dbraw/zinc/24/96/82/165249682.db2.gz WUZYAUDNSXQOIR-HOCLYGCPSA-N 0 3 315.442 3.046 10 30 DGEEHN C=CCN1CCC(NC(=O)Nc2cccc([C@H](C)OC)c2)CC1 ZINC000171639992 432154244 /nfs/dbraw/zinc/15/42/44/432154244.db2.gz JWZXUUIYZHALJT-AWEZNQCLSA-N 0 3 317.433 3.166 10 30 DGEEHN N#CC1(NC(=O)c2cccc(CN3CCCCC3)c2)CCCC1 ZINC000333195411 229037456 /nfs/dbraw/zinc/03/74/56/229037456.db2.gz WCRIEDWFQRCACS-UHFFFAOYSA-N 0 3 311.429 3.239 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C#N)cc1F ZINC000358580610 270004023 /nfs/dbraw/zinc/00/40/23/270004023.db2.gz YGJWWEJJNUEICV-QEORTHHSSA-N 0 3 320.433 3.403 10 30 DGEEHN C[C@@H]1CCN(c2ccncc2C#N)CCN1Cc1ccccc1 ZINC000369963554 267024776 /nfs/dbraw/zinc/02/47/76/267024776.db2.gz GGVJQQNTSPIRQA-MRXNPFEDSA-N 0 3 306.413 3.054 10 30 DGEEHN CC(C)[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1)N1CCCCC1 ZINC000329101815 276011007 /nfs/dbraw/zinc/01/10/07/276011007.db2.gz FGUIASKJQMQPOI-HYVNUMGLSA-N 0 3 321.465 3.351 10 30 DGEEHN C#CCOc1ccc(CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000123052641 431853340 /nfs/dbraw/zinc/85/33/40/431853340.db2.gz SIWXJNJYBIQREQ-GOSISDBHSA-N 0 3 309.413 3.041 10 30 DGEEHN CN(C)C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000125309166 431920937 /nfs/dbraw/zinc/92/09/37/431920937.db2.gz BMCSJBVVOVPCFM-GOSISDBHSA-N 0 3 322.412 3.177 10 30 DGEEHN CC(C)N(C)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101225 431903358 /nfs/dbraw/zinc/90/33/58/431903358.db2.gz GHRAWZUWBHBHHR-UHFFFAOYSA-N 0 3 321.424 3.182 10 30 DGEEHN N#CC(C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccccn1 ZINC000125477539 431926931 /nfs/dbraw/zinc/92/69/31/431926931.db2.gz PIEMVOMYIQWLHP-HNNXBMFYSA-N 0 3 322.755 3.411 10 30 DGEEHN N#Cc1ccc([C@H](O)CN2CC=C(c3ccccc3)CC2)cc1 ZINC000126624317 431954753 /nfs/dbraw/zinc/95/47/53/431954753.db2.gz QRLAVKRYPOHLQL-HXUWFJFHSA-N 0 3 304.393 3.381 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000151943252 432291314 /nfs/dbraw/zinc/29/13/14/432291314.db2.gz LDPAGDXCAPWVMX-HNNXBMFYSA-N 0 3 321.490 3.493 10 30 DGEEHN N#C[C@@H]1CCC[C@@H](N[C@@H](CO)c2cccc(Br)c2)C1 ZINC000248876703 432325930 /nfs/dbraw/zinc/32/59/30/432325930.db2.gz RCTOOWYIMYGMAX-DFBGVHRSSA-N 0 3 323.234 3.154 10 30 DGEEHN N#Cc1cc(N2CCCN(C3CC3)CC2)ccc1C(F)(F)F ZINC000183993300 432343760 /nfs/dbraw/zinc/34/37/60/432343760.db2.gz JQTIAPMLLLIWLL-UHFFFAOYSA-N 0 3 309.335 3.252 10 30 DGEEHN C=CC[C@@H](CO)NCc1ccc(Br)c(Cl)c1 ZINC000192208127 432345435 /nfs/dbraw/zinc/34/54/35/432345435.db2.gz OFVQKIMVYJYFCE-JTQLQIEISA-N 0 3 304.615 3.129 10 30 DGEEHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000249402951 432347324 /nfs/dbraw/zinc/34/73/24/432347324.db2.gz VOLFHEDFIKMSTH-CZUORRHYSA-N 0 3 300.402 3.283 10 30 DGEEHN C=C(C)CN1CCC(Nc2ncnc3c(C)csc32)CC1 ZINC000192574752 432389324 /nfs/dbraw/zinc/38/93/24/432389324.db2.gz KNNZCYRFYHGPSJ-UHFFFAOYSA-N 0 3 302.447 3.452 10 30 DGEEHN Cc1ccc(O[C@H](C)CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000174593594 432358066 /nfs/dbraw/zinc/35/80/66/432358066.db2.gz YMIPMRIKCWIVAS-OAHLLOKOSA-N 0 3 320.396 3.072 10 30 DGEEHN C=CCSc1ccccc1NC(=O)CN[C@H](C)[C@H]1CCCO1 ZINC000193123843 432452253 /nfs/dbraw/zinc/45/22/53/432452253.db2.gz HRPRTAWQMXVAAR-UKRRQHHQSA-N 0 3 320.458 3.060 10 30 DGEEHN COc1ccc(C#N)cc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000153524283 432416448 /nfs/dbraw/zinc/41/64/48/432416448.db2.gz NZXIPJJXEYJNLI-SFHVURJKSA-N 0 3 314.429 3.490 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000194457274 432551873 /nfs/dbraw/zinc/55/18/73/432551873.db2.gz XQHUNQYPHQCHPJ-GOSISDBHSA-N 0 3 315.461 3.116 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000186695894 432623053 /nfs/dbraw/zinc/62/30/53/432623053.db2.gz WSAKFGNVNPOSBG-ONGXEEELSA-N 0 3 302.187 3.176 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H](C)c1cc(Br)ccc1F ZINC000186708302 432623944 /nfs/dbraw/zinc/62/39/44/432623944.db2.gz PNNNQKPXUOYZDX-ONGXEEELSA-N 0 3 302.187 3.176 10 30 DGEEHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OC)cc1Br ZINC000186703741 432624038 /nfs/dbraw/zinc/62/40/38/432624038.db2.gz CENQUQXTHZCYQN-MNOVXSKESA-N 0 3 314.223 3.045 10 30 DGEEHN C=CC[C@H](CO)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000186712469 432624854 /nfs/dbraw/zinc/62/48/54/432624854.db2.gz HJXFCQXRLJJXEA-ZYHUDNBSSA-N 0 3 314.223 3.045 10 30 DGEEHN COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000195314873 432618549 /nfs/dbraw/zinc/61/85/49/432618549.db2.gz LXRKXEOXSZISGY-MRXNPFEDSA-N 0 3 322.408 3.370 10 30 DGEEHN C[C@@H](NCc1cc(C#N)cs1)c1ccc(-n2cncn2)cc1 ZINC000177681422 432648885 /nfs/dbraw/zinc/64/88/85/432648885.db2.gz CWDFZQNCPFLPNJ-GFCCVEGCSA-N 0 3 309.398 3.051 10 30 DGEEHN CC(C)N(CCOc1ccc(C#N)cc1)CCc1nccs1 ZINC000159837215 432697811 /nfs/dbraw/zinc/69/78/11/432697811.db2.gz VLYOKNUIIAFVIW-UHFFFAOYSA-N 0 3 315.442 3.347 10 30 DGEEHN C=CCC[C@@H](C(=O)N1CCCN(C2CC2)CC1)c1ccccc1 ZINC000188814000 432746784 /nfs/dbraw/zinc/74/67/84/432746784.db2.gz YVVCBSMPCJRTBQ-LJQANCHMSA-N 0 3 312.457 3.433 10 30 DGEEHN Cc1cnn([C@H]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000245770231 432861770 /nfs/dbraw/zinc/86/17/70/432861770.db2.gz ROMXXRKEXKTKDV-AEFFLSMTSA-N 0 3 324.428 3.320 10 30 DGEEHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000245694931 432856942 /nfs/dbraw/zinc/85/69/42/432856942.db2.gz CDNHPFREVVLPPQ-DNVCBOLYSA-N 0 3 323.396 3.026 10 30 DGEEHN Cc1ccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)cc1F ZINC000330206548 432897505 /nfs/dbraw/zinc/89/75/05/432897505.db2.gz DJXYCNDIVFEOAJ-IUIKQTSFSA-N 0 3 306.381 3.268 10 30 DGEEHN Cc1cccc(C)c1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000330223169 432898361 /nfs/dbraw/zinc/89/83/61/432898361.db2.gz MYLCSPKGVVIWEJ-QRTARXTBSA-N 0 3 302.418 3.437 10 30 DGEEHN Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330235244 432898685 /nfs/dbraw/zinc/89/86/85/432898685.db2.gz TUUAUIYWCPUBTH-PEYYIBSZSA-N 0 3 306.381 3.268 10 30 DGEEHN Cc1ccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)cc1F ZINC000330238715 432899682 /nfs/dbraw/zinc/89/96/82/432899682.db2.gz DJXYCNDIVFEOAJ-XZJROXQQSA-N 0 3 306.381 3.268 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccccc1Cl ZINC000330268067 432901118 /nfs/dbraw/zinc/90/11/18/432901118.db2.gz QXXGEPKTIJRSBL-NZVBXONLSA-N 0 3 308.809 3.474 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@](C)(c2ccccc2)C1 ZINC000446711494 433083908 /nfs/dbraw/zinc/08/39/08/433083908.db2.gz MRJDKPJYXMTJMQ-FXAWDEMLSA-N 0 3 312.457 3.239 10 30 DGEEHN CC[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447584892 433235984 /nfs/dbraw/zinc/23/59/84/433235984.db2.gz HIDNGAKWVQLNDZ-RBUKOAKNSA-N 0 3 319.408 3.404 10 30 DGEEHN CC[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447584891 433236810 /nfs/dbraw/zinc/23/68/10/433236810.db2.gz HIDNGAKWVQLNDZ-OALUTQOASA-N 0 3 319.408 3.404 10 30 DGEEHN C=CCCCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000448028512 433351207 /nfs/dbraw/zinc/35/12/07/433351207.db2.gz DDJZTUYWHHFBDF-GDBMZVCRSA-N 0 3 321.490 3.396 10 30 DGEEHN C=CCCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000448034831 433356500 /nfs/dbraw/zinc/35/65/00/433356500.db2.gz LRWSKEXUCVIXGA-KRWDZBQOSA-N 0 3 315.461 3.259 10 30 DGEEHN C=CCCCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000447972359 433335935 /nfs/dbraw/zinc/33/59/35/433335935.db2.gz QFPWLBFCCDVVJH-HNNXBMFYSA-N 0 3 309.479 3.396 10 30 DGEEHN N#Cc1cccnc1NC[C@H]1CCCCN1Cc1ccccc1 ZINC000301124597 433426494 /nfs/dbraw/zinc/42/64/94/433426494.db2.gz XWYAMHUNDCQSNW-GOSISDBHSA-N 0 3 306.413 3.420 10 30 DGEEHN C=CCCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000448391725 433406120 /nfs/dbraw/zinc/40/61/20/433406120.db2.gz UUTUWGPXSRUOQW-SFHVURJKSA-N 0 3 315.461 3.259 10 30 DGEEHN Cc1cc(C#N)cc(N2CCN(Cc3ccccc3)C(C)(C)C2)n1 ZINC000342047243 433435528 /nfs/dbraw/zinc/43/55/28/433435528.db2.gz UPBKNYBOTZFNQO-UHFFFAOYSA-N 0 3 320.440 3.363 10 30 DGEEHN C=C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000362368294 433662798 /nfs/dbraw/zinc/66/27/98/433662798.db2.gz ACRAJCUMKWLSCZ-KCQAQPDRSA-N 0 3 307.463 3.005 10 30 DGEEHN C=CCc1cc(CN2CCC[C@@H](COC)CC2)cc(OC)c1O ZINC000449768660 433779785 /nfs/dbraw/zinc/77/97/85/433779785.db2.gz AQHYUSTZYNYJPN-OAHLLOKOSA-N 0 3 319.445 3.378 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000284565419 433897709 /nfs/dbraw/zinc/89/77/09/433897709.db2.gz YOIVLFQBEHFZRX-YOEHRIQHSA-N 0 3 304.434 3.016 10 30 DGEEHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000294194104 434035222 /nfs/dbraw/zinc/03/52/22/434035222.db2.gz RDRFENQUSOBWLJ-UTUOFQBUSA-N 0 3 312.339 3.300 10 30 DGEEHN C=CCOc1ccc(CN[C@@H](CC)[C@H](O)C(F)F)cc1Cl ZINC000295133768 434217054 /nfs/dbraw/zinc/21/70/54/434217054.db2.gz YOGPRIPGYKJSQQ-JSGCOSHPSA-N 0 3 319.779 3.399 10 30 DGEEHN C=CCC[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1ccco1 ZINC000364970335 434285426 /nfs/dbraw/zinc/28/54/26/434285426.db2.gz KOTMQBTXKIMGGW-RDJZCZTQSA-N 0 3 314.433 3.279 10 30 DGEEHN CC(=O)Nc1ccn([C@H]2CCN(C/C=C/c3ccccc3)C2)n1 ZINC000328630817 434294117 /nfs/dbraw/zinc/29/41/17/434294117.db2.gz QFVBNQGZOXERBY-JZLODUJNSA-N 0 3 310.401 3.451 10 30 DGEEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)NCC1CCCCC1 ZINC000328909024 434330190 /nfs/dbraw/zinc/33/01/90/434330190.db2.gz MMRYTPOVLYJIIA-XGWLTEMNSA-N 0 3 321.465 3.399 10 30 DGEEHN C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(C#N)cc1F ZINC000358574097 434397997 /nfs/dbraw/zinc/39/79/97/434397997.db2.gz ROKRLPDHCZGBDX-HIFRSBDPSA-N 0 3 310.376 3.022 10 30 DGEEHN C[C@@H](NCCN(C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358578616 434398357 /nfs/dbraw/zinc/39/83/57/434398357.db2.gz VSCKSYNPWMDOCL-OAHLLOKOSA-N 0 3 311.404 3.480 10 30 DGEEHN CN(c1ccncc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000399461380 434477292 /nfs/dbraw/zinc/47/72/92/434477292.db2.gz RGBLAQGENQFDLB-GOSISDBHSA-N 0 3 306.413 3.054 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000451679559 434574374 /nfs/dbraw/zinc/57/43/74/434574374.db2.gz ZEHRLXOAWBPYBJ-CVEARBPZSA-N 0 3 309.331 3.380 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1cscc1Br ZINC000424172915 434644862 /nfs/dbraw/zinc/64/48/62/434644862.db2.gz MILGYVFAVBYBIW-CABZTGNLSA-N 0 3 302.237 3.191 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1ncc(-c2ccccc2)s1 ZINC000424176168 434646840 /nfs/dbraw/zinc/64/68/40/434646840.db2.gz RBLSMXIJCRQLOY-GJZGRUSLSA-N 0 3 300.427 3.491 10 30 DGEEHN C=CCn1cc(CN[C@H](C)CCc2ccc(Cl)s2)nn1 ZINC000424300904 434684685 /nfs/dbraw/zinc/68/46/85/434684685.db2.gz YRZCKZLNUNGGAJ-LLVKDONJSA-N 0 3 310.854 3.290 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ncc(Br)s1 ZINC000424300042 434685356 /nfs/dbraw/zinc/68/53/56/434685356.db2.gz WVLVCJQTPQAOOQ-GUBZILKMSA-N 0 3 317.252 3.147 10 30 DGEEHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(OCC)c(OC)cc1F ZINC000527701795 435013339 /nfs/dbraw/zinc/01/33/39/435013339.db2.gz AMWJCBBEGCLMAG-ACJLOTCBSA-N 0 3 323.408 3.304 10 30 DGEEHN C=CCN1CCC(N[C@@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527860790 435016291 /nfs/dbraw/zinc/01/62/91/435016291.db2.gz XUEYGLSDOARFPK-INIZCTEOSA-N 0 3 324.472 3.388 10 30 DGEEHN C=CCOCCN1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528580563 435025988 /nfs/dbraw/zinc/02/59/88/435025988.db2.gz HJQDOELDCLHBHV-UHFFFAOYSA-N 0 3 319.449 3.184 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000466441087 435075850 /nfs/dbraw/zinc/07/58/50/435075850.db2.gz LNYDKMXFZZXABK-MRXNPFEDSA-N 0 3 324.534 3.457 10 30 DGEEHN C=CCCN(C)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000467103891 435108589 /nfs/dbraw/zinc/10/85/89/435108589.db2.gz KTFFYRSBVGUWNY-HOCLYGCPSA-N 0 3 321.490 3.349 10 30 DGEEHN CC(C)(C)OC(=O)C[C@H]1CCCN(CCCSCC#N)C1 ZINC000532124865 435141836 /nfs/dbraw/zinc/14/18/36/435141836.db2.gz LHPLPRUNAKMBHK-CQSZACIVSA-N 0 3 312.479 3.077 10 30 DGEEHN C=C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1CN)c1ccccc1 ZINC000565040866 435275084 /nfs/dbraw/zinc/27/50/84/435275084.db2.gz PWXMRTWHGZBNTI-OXJNMPFZSA-N 0 3 320.436 3.431 10 30 DGEEHN C=CCCCCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000565205701 435277291 /nfs/dbraw/zinc/27/72/91/435277291.db2.gz CUDLYIAVZHOJIE-GOSISDBHSA-N 0 3 315.461 3.156 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CCC(C)(C3CC3)CC2)CC1 ZINC000567531279 435325347 /nfs/dbraw/zinc/32/53/47/435325347.db2.gz DIVUKYAPGRCGQH-UHFFFAOYSA-N 0 3 319.493 3.249 10 30 DGEEHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1F ZINC000512654512 435363460 /nfs/dbraw/zinc/36/34/60/435363460.db2.gz MUOGUFXKOGHJTL-LBPRGKRZSA-N 0 3 313.332 3.499 10 30 DGEEHN C=CCOc1ccc(CNC[C@H](c2ccco2)N(C)C)cc1 ZINC000072670300 331669554 /nfs/dbraw/zinc/66/95/54/331669554.db2.gz TVCQLMGTWXEZLX-QGZVFWFLSA-N 0 3 300.402 3.237 10 30 DGEEHN C=C(C)CN(C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000181273366 332188838 /nfs/dbraw/zinc/18/88/38/332188838.db2.gz JWRHYVOUVDCXHC-NSHDSACASA-N 0 3 304.217 3.241 10 30 DGEEHN C=CCNC(=O)CN[C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000561126192 332413970 /nfs/dbraw/zinc/41/39/70/332413970.db2.gz QKMLFVBAPDQMIN-SFHVURJKSA-N 0 3 312.388 3.001 10 30 DGEEHN C=CC[C@H](C(=O)N[C@@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000188385077 333365146 /nfs/dbraw/zinc/36/51/46/333365146.db2.gz YUGOFNLTZQWCTG-ROUUACIJSA-N 0 3 302.462 3.439 10 30 DGEEHN C=CC[C@H](C(=O)N(C)C[C@H]1CCCN1CC)c1ccccc1 ZINC000188409299 333365641 /nfs/dbraw/zinc/36/56/41/333365641.db2.gz DHVSMGLSQDURRP-MSOLQXFVSA-N 0 3 300.446 3.289 10 30 DGEEHN C=CC[C@H](C(=O)N(C)C[C@@H]1CCCN1CC)c1ccccc1 ZINC000188409324 333365658 /nfs/dbraw/zinc/36/56/58/333365658.db2.gz DHVSMGLSQDURRP-ROUUACIJSA-N 0 3 300.446 3.289 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000509566341 340273634 /nfs/dbraw/zinc/27/36/34/340273634.db2.gz DYVIFFPHRNSQGY-HUUCEWRRSA-N 0 3 307.438 3.316 10 30 DGEEHN C=CCc1cc(CNC[C@@H]2CCC(C)(C)O2)cc(OC)c1O ZINC000189721292 340539639 /nfs/dbraw/zinc/53/96/39/340539639.db2.gz HRCODFMJMOZXAC-HNNXBMFYSA-N 0 3 305.418 3.177 10 30 DGEEHN C=CCOc1cccc(CN[C@H]2CC[C@@H](C(=O)OCC)C2)c1 ZINC000125956231 340817686 /nfs/dbraw/zinc/81/76/86/340817686.db2.gz KSYPBKQOTPMLNA-CVEARBPZSA-N 0 3 303.402 3.073 10 30 DGEEHN C=CCN(Cc1cccs1)C(=O)CCN(C)c1ccncc1 ZINC000542787175 341020701 /nfs/dbraw/zinc/02/07/01/341020701.db2.gz FRULIVLWXNYYRF-UHFFFAOYSA-N 0 3 315.442 3.184 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NC2CCC(C)(C)CC2)CC1 ZINC000074130123 341129557 /nfs/dbraw/zinc/12/95/57/341129557.db2.gz PMKPUNUTXKFSGO-UHFFFAOYSA-N 0 3 307.482 3.295 10 30 DGEEHN C=C(C)COCCNCc1ccccc1OCC(F)(F)F ZINC000134501438 341216407 /nfs/dbraw/zinc/21/64/07/341216407.db2.gz MWGLNBSLMKNTQR-UHFFFAOYSA-N 0 3 303.324 3.310 10 30 DGEEHN C=CCC[C@H](CN1CCCN(C)CC1)Oc1ccc(Cl)cn1 ZINC000067641692 518720110 /nfs/dbraw/zinc/72/01/10/518720110.db2.gz GVTIGZHAFKRCKD-MRXNPFEDSA-N 0 3 323.868 3.086 10 30 DGEEHN C=CC(C)(C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000451331106 534497892 /nfs/dbraw/zinc/49/78/92/534497892.db2.gz RJLLCNXRJHWMQM-UHFFFAOYSA-N 0 3 318.383 3.120 10 30 DGEEHN N#CCSCCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000074990215 534706416 /nfs/dbraw/zinc/70/64/16/534706416.db2.gz ZXRMRVWABXNYKH-CQSZACIVSA-N 0 3 304.415 3.199 10 30 DGEEHN C=CCN1CCC(NC(=O)c2ccc3ccc(OC)cc3c2)CC1 ZINC000339997970 526447529 /nfs/dbraw/zinc/44/75/29/526447529.db2.gz BFRDHRRCMBOPOP-UHFFFAOYSA-N 0 3 324.424 3.229 10 30 DGEEHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCO[C@H](CC)C1 ZINC000348639808 526560861 /nfs/dbraw/zinc/56/08/61/526560861.db2.gz ZMCGMXJNRCGPHU-JKSUJKDBSA-N 0 3 307.434 3.355 10 30 DGEEHN C=CCOc1ccc(CN2CCC3(C[C@@H]3C(=O)OC)CC2)cc1 ZINC000353900143 526865554 /nfs/dbraw/zinc/86/55/54/526865554.db2.gz NZXGAIQJOARVON-QGZVFWFLSA-N 0 3 315.413 3.027 10 30 DGEEHN C=CCOc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000430150438 526868969 /nfs/dbraw/zinc/86/89/69/526868969.db2.gz RZSJZOYYAIUFOY-SFHVURJKSA-N 0 3 301.430 3.500 10 30 DGEEHN C=CCOc1ccccc1CN1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000353913982 526931157 /nfs/dbraw/zinc/93/11/57/526931157.db2.gz JQUOQWHIPPVXIN-INIZCTEOSA-N 0 3 315.413 3.027 10 30 DGEEHN C=CCCCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000351639586 527159209 /nfs/dbraw/zinc/15/92/09/527159209.db2.gz QJJWVOCARZNDRY-IAGOWNOFSA-N 0 3 301.434 3.087 10 30 DGEEHN C=CCn1c(SC[C@H](C)N(C)C)nnc1-c1ccccc1 ZINC000358850335 527342062 /nfs/dbraw/zinc/34/20/62/527342062.db2.gz AAEMGZCQSASHQW-ZDUSSCGKSA-N 0 3 302.447 3.173 10 30 DGEEHN C=CCCO[C@@H](C)C(=O)N(CCN1CCCCCC1)C(C)C ZINC000345904068 527370989 /nfs/dbraw/zinc/37/09/89/527370989.db2.gz JVNAMDQEKKGNSI-KRWDZBQOSA-N 0 3 310.482 3.081 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)c1nc(C)sc1C)C(C)C ZINC000337401616 527649951 /nfs/dbraw/zinc/64/99/51/527649951.db2.gz RDHOAAIFWLJDIH-OAHLLOKOSA-N 0 3 321.490 3.188 10 30 DGEEHN CCCCCCCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000157938311 528133113 /nfs/dbraw/zinc/13/31/13/528133113.db2.gz YABVUYDWRPHMSY-IBGZPJMESA-N 0 3 304.478 3.308 10 30 DGEEHN CCN1CCC[C@@H](Nc2cccc(Br)c2C#N)C1 ZINC000168495345 529059666 /nfs/dbraw/zinc/05/96/66/529059666.db2.gz KYRGRUVHIZDSQR-LLVKDONJSA-N 0 3 308.223 3.217 10 30 DGEEHN C=CCOCCN[C@@H](C)c1cc(Br)ccc1F ZINC000379727265 546736190 /nfs/dbraw/zinc/73/61/90/546736190.db2.gz XLWMKKMXSBZVGC-JTQLQIEISA-N 0 3 302.187 3.441 10 30 DGEEHN C#Cc1cccc(NC(=S)NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000730731943 574535024 /nfs/dbraw/zinc/53/50/24/574535024.db2.gz SMUMKUFUUZNFMV-GASCZTMLSA-N 0 3 315.486 3.217 10 30 DGEEHN Cc1cc(C)nc(N=NC2CCN(Cc3ccccc3)C[C@H]2C)n1 ZINC000734363340 574657877 /nfs/dbraw/zinc/65/78/77/574657877.db2.gz ZABPQBYJGOAEMY-CQSZACIVSA-N 0 3 323.444 3.403 10 30 DGEEHN CN(Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCOC1 ZINC000735310064 574697009 /nfs/dbraw/zinc/69/70/09/574697009.db2.gz YXHKQSBBIDWJDB-ZDUSSCGKSA-N 0 3 308.809 3.101 10 30 DGEEHN CCCCN(CCOC)Cc1cc(Cl)ccc1OCC#N ZINC000735309965 574697074 /nfs/dbraw/zinc/69/70/74/574697074.db2.gz XMIRBGYDNJCMOM-UHFFFAOYSA-N 0 3 310.825 3.491 10 30 DGEEHN C=C(C)CNC(=S)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000741500520 574960187 /nfs/dbraw/zinc/96/01/87/574960187.db2.gz ZCGFKRLGXUNTSS-ZFWWWQNUSA-N 0 3 323.531 3.171 10 30 DGEEHN CC#CCN1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000741779155 574970127 /nfs/dbraw/zinc/97/01/27/574970127.db2.gz QOBJQAIMLDTONM-HOTGVXAUSA-N 0 3 306.450 3.121 10 30 DGEEHN C=CCOc1ccccc1CNC[C@](C)(O)c1cc(C)oc1C ZINC000742374186 574993597 /nfs/dbraw/zinc/99/35/97/574993597.db2.gz LRQFJLYOPGTDJP-IBGZPJMESA-N 0 3 315.413 3.459 10 30 DGEEHN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000223977229 618626296 /nfs/dbraw/zinc/62/62/96/618626296.db2.gz GODSWTNKNSVMMI-LVQVYYBASA-N 0 3 321.465 3.446 10 30 DGEEHN C#CCOc1ccccc1CN1CCC[C@@H](n2ccnc2CC)C1 ZINC000122916653 622428598 /nfs/dbraw/zinc/42/85/98/622428598.db2.gz IRUVKSZRCJCVKS-GOSISDBHSA-N 0 3 323.440 3.295 10 30 DGEEHN C#CC[N@@H+](Cc1cc(=O)oc2c(C)c([O-])ccc12)C1CCCC1 ZINC000155786798 655760710 /nfs/dbraw/zinc/76/07/10/655760710.db2.gz OWZPVOMTPLZQSK-UHFFFAOYSA-N 0 3 311.381 3.185 10 30 DGEEHN C#CC[N@H+](Cc1cc(=O)oc2c(C)c([O-])ccc12)C1CCCC1 ZINC000155786798 655760711 /nfs/dbraw/zinc/76/07/11/655760711.db2.gz OWZPVOMTPLZQSK-UHFFFAOYSA-N 0 3 311.381 3.185 10 30 DGEEHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000162298200 656079697 /nfs/dbraw/zinc/07/96/97/656079697.db2.gz YORWONWTWIPQGY-ZBFHGGJFSA-N 0 3 322.449 3.130 10 30 DGEEHN C#CCOc1ccccc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000092812759 662336117 /nfs/dbraw/zinc/33/61/17/662336117.db2.gz PJRCTNLSHMJKBH-QGZVFWFLSA-N 0 3 321.424 3.028 10 30 DGEEHN C=CCC[C@H](CO)NCc1cc(Cl)ccc1OC(F)F ZINC000320772120 1199848767 /nfs/dbraw/zinc/84/87/67/1199848767.db2.gz QBZGGBNOOGAKDQ-GFCCVEGCSA-N 0 3 305.752 3.358 10 30 DGEEHN CC[C@@](C)(C#N)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000354831719 529489511 /nfs/dbraw/zinc/48/95/11/529489511.db2.gz ZOGIITSUYNKTMP-OALUTQOASA-N 0 3 313.445 3.097 10 30 DGEEHN N#Cc1ccc(CN[C@@H]2CCN(c3c(F)cccc3F)C2)cc1 ZINC000088755511 185263972 /nfs/dbraw/zinc/26/39/72/185263972.db2.gz FOBWMCJCKMSXDE-OAHLLOKOSA-N 0 3 313.351 3.205 10 30 DGEEHN CC[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccs1 ZINC000184043297 529682355 /nfs/dbraw/zinc/68/23/55/529682355.db2.gz ZMGCHBOOBQUTHF-CQSZACIVSA-N 0 3 319.474 3.474 10 30 DGEEHN C=CCOc1ccccc1CN[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000107914552 432042254 /nfs/dbraw/zinc/04/22/54/432042254.db2.gz FLPQDEVAIIRSOG-INIZCTEOSA-N 0 3 310.397 3.107 10 30 DGEEHN CN(Cc1ccccn1)[C@@H]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000275482059 212363410 /nfs/dbraw/zinc/36/34/10/212363410.db2.gz BAVJGQJEOJPNOA-LJQANCHMSA-N 0 3 320.440 3.444 10 30 DGEEHN N#Cc1ccc(O[C@H](CN)c2cccc(Br)c2)cc1 ZINC000043022672 183330350 /nfs/dbraw/zinc/33/03/50/183330350.db2.gz DPAWYGHBVYNSFG-OAHLLOKOSA-N 0 3 317.186 3.400 10 30 DGEEHN N#Cc1cccc(O[C@H](CN)c2ccccc2Br)c1 ZINC000043094848 183337286 /nfs/dbraw/zinc/33/72/86/183337286.db2.gz IVJKKPJNZLDCMH-OAHLLOKOSA-N 0 3 317.186 3.400 10 30 DGEEHN N#Cc1cc(Cl)ccc1NCCCNCc1cccnc1 ZINC000063197203 184277978 /nfs/dbraw/zinc/27/79/78/184277978.db2.gz WGZWJRLEEWYDAJ-UHFFFAOYSA-N 0 3 300.793 3.198 10 30 DGEEHN Cc1ccc(C#N)cc1NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000119653363 195010760 /nfs/dbraw/zinc/01/07/60/195010760.db2.gz MAUYSPAEFWAYEC-GOSISDBHSA-N 0 3 322.412 3.291 10 30 DGEEHN C=CCSc1ccccc1NC(=O)CNC(C)(C)C(C)(C)O ZINC000271604089 209050752 /nfs/dbraw/zinc/05/07/52/209050752.db2.gz IZTJZIWHIXFYAA-UHFFFAOYSA-N 0 3 322.474 3.042 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000581888213 400083247 /nfs/dbraw/zinc/08/32/47/400083247.db2.gz VUOYDRDIGGQKKC-QFBILLFUSA-N 0 3 300.446 3.370 10 30 DGEEHN C=CC[C@@H](C(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617009013 400271294 /nfs/dbraw/zinc/27/12/94/400271294.db2.gz QGJZKXIHXGDLKK-DLBZAZTESA-N 0 3 300.446 3.335 10 30 DGEEHN C=CCOc1ccccc1CN1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000093870212 400261178 /nfs/dbraw/zinc/26/11/78/400261178.db2.gz KEPMHACEUHVKSK-INIZCTEOSA-N 0 3 311.429 3.050 10 30 DGEEHN COC(=O)C(C)(C)[C@@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000611463006 400404418 /nfs/dbraw/zinc/40/44/18/400404418.db2.gz YQXRHJULBSOSSB-HNNXBMFYSA-N 0 3 302.418 3.456 10 30 DGEEHN C=CCOCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611543937 400419051 /nfs/dbraw/zinc/41/90/51/400419051.db2.gz SEJPGYFHGOPORY-UHFFFAOYSA-N 0 3 302.330 3.147 10 30 DGEEHN C=CCN1CCC(Nc2ccc(C(=O)OC(C)(C)C)cn2)CC1 ZINC000591912652 400577623 /nfs/dbraw/zinc/57/76/23/400577623.db2.gz QITNPLCNXUGDMD-UHFFFAOYSA-N 0 3 317.433 3.099 10 30 DGEEHN Cn1ccnc1C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000618569932 400625958 /nfs/dbraw/zinc/62/59/58/400625958.db2.gz HXEHDUHMQUULSB-NXHRZFHOSA-N 0 3 308.429 3.376 10 30 DGEEHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000076574492 400661728 /nfs/dbraw/zinc/66/17/28/400661728.db2.gz FOMHADWWZOFUKW-HZPDHXFCSA-N 0 3 315.461 3.469 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000151845151 400676915 /nfs/dbraw/zinc/67/69/15/400676915.db2.gz GAZWQKIGQSMTIR-GOSISDBHSA-N 0 3 315.461 3.431 10 30 DGEEHN C=CCOc1ccccc1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000593875522 400918113 /nfs/dbraw/zinc/91/81/13/400918113.db2.gz MWFWLBZTZWAOPR-IYBDPMFKSA-N 0 3 316.445 3.244 10 30 DGEEHN C=CC[C@@H]1CCN(CC(=O)N2CCc3sccc3[C@@H]2CC)C1 ZINC000625702843 401185777 /nfs/dbraw/zinc/18/57/77/401185777.db2.gz JFJBWWNFESBKGU-ZBFHGGJFSA-N 0 3 318.486 3.482 10 30 DGEEHN C=C1CC(C)(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000630860744 401343712 /nfs/dbraw/zinc/34/37/12/401343712.db2.gz PIQKVDVAHJYODP-HNNXBMFYSA-N 0 3 318.486 3.433 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000627083773 401440760 /nfs/dbraw/zinc/44/07/60/401440760.db2.gz ZDTBZMLHPYMZQX-HNAYVOBHSA-N 0 3 323.440 3.447 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000627083774 401440843 /nfs/dbraw/zinc/44/08/43/401440843.db2.gz ZDTBZMLHPYMZQX-KXBFYZLASA-N 0 3 323.440 3.447 10 30 DGEEHN C=CCOc1c(Cl)cc(CN[C@@H]2CCCN(C)C2)cc1OC ZINC000623372352 401502349 /nfs/dbraw/zinc/50/23/49/401502349.db2.gz QGEGQXAPXAMAQG-CQSZACIVSA-N 0 3 324.852 3.097 10 30 DGEEHN C=C1CC(C)(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC000631595524 401509262 /nfs/dbraw/zinc/50/92/62/401509262.db2.gz BUKXUNWIIOGXIZ-KRWDZBQOSA-N 0 3 312.457 3.466 10 30 DGEEHN C=C1CC(C)(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000632701596 401620391 /nfs/dbraw/zinc/62/03/91/401620391.db2.gz LTHZCNIKSFJLSW-WBVHZDCISA-N 0 3 300.446 3.459 10 30 DGEEHN N#Cc1ccc(OCCN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000192367155 165290640 /nfs/dbraw/zinc/29/06/40/165290640.db2.gz KFXLYZVVUCYZEJ-GOSISDBHSA-N 0 3 308.381 3.310 10 30 DGEEHN C#CCOc1ccc(CN[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000113315798 431341847 /nfs/dbraw/zinc/34/18/47/431341847.db2.gz AGIHDCRFWHLDJQ-FQEVSTJZSA-N 0 3 308.425 3.091 10 30 DGEEHN C=CCCCN(C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000076733976 431561030 /nfs/dbraw/zinc/56/10/30/431561030.db2.gz DFPASCMTQGPUKZ-UHFFFAOYSA-N 0 3 300.855 3.258 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121110511 431742674 /nfs/dbraw/zinc/74/26/74/431742674.db2.gz CTXKQACFZLZGDV-ZDUSSCGKSA-N 0 3 305.378 3.128 10 30 DGEEHN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000041480420 431859650 /nfs/dbraw/zinc/85/96/50/431859650.db2.gz NUGZNQDWUSCTMT-WQVCFCJDSA-N 0 3 319.364 3.166 10 30 DGEEHN CC(C)Oc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000123265069 431860002 /nfs/dbraw/zinc/86/00/02/431860002.db2.gz UUVDLMWSYAJXHE-UHFFFAOYSA-N 0 3 320.396 3.283 10 30 DGEEHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000093690984 431917368 /nfs/dbraw/zinc/91/73/68/431917368.db2.gz CDNHPFREVVLPPQ-KXBFYZLASA-N 0 3 323.396 3.026 10 30 DGEEHN COc1ccc(C#N)cc1CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000127710730 431979601 /nfs/dbraw/zinc/97/96/01/431979601.db2.gz AQVNARMFWRGDKT-DLBZAZTESA-N 0 3 310.401 3.037 10 30 DGEEHN C#CCOc1ccc([C@H](C)N[C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000248159912 432271900 /nfs/dbraw/zinc/27/19/00/432271900.db2.gz RZDZCOYOLVGZQV-PNHOKKKMSA-N 0 3 307.393 3.008 10 30 DGEEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C#N)s1)CC2 ZINC000183319492 432282353 /nfs/dbraw/zinc/28/23/53/432282353.db2.gz HFRFVPDVWWDZID-RYUDHWBXSA-N 0 3 315.446 3.000 10 30 DGEEHN COc1ccccc1N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000151863224 432283677 /nfs/dbraw/zinc/28/36/77/432283677.db2.gz IBOKRHXXHADKSC-YJBOKZPZSA-N 0 3 321.424 3.496 10 30 DGEEHN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000248763593 432317292 /nfs/dbraw/zinc/31/72/92/432317292.db2.gz MXVNDKLQZSJNPN-DAXOMENPSA-N 0 3 319.364 3.166 10 30 DGEEHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000248894205 432327691 /nfs/dbraw/zinc/32/76/91/432327691.db2.gz GIVGHZQFVRKYFY-JEBQAFNWSA-N 0 3 312.438 3.389 10 30 DGEEHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000184536638 432403395 /nfs/dbraw/zinc/40/33/95/432403395.db2.gz VVKSIHDHRBMDHY-LJQANCHMSA-N 0 3 311.429 3.397 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000185466386 432502731 /nfs/dbraw/zinc/50/27/31/432502731.db2.gz FAUVSBPHKLTRNH-QGZVFWFLSA-N 0 3 302.462 3.488 10 30 DGEEHN Cc1cc(C#N)ccc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000186237330 432572921 /nfs/dbraw/zinc/57/29/21/432572921.db2.gz UIVQVXVYICSRKB-QGZVFWFLSA-N 0 3 306.413 3.196 10 30 DGEEHN Cc1nccn1C[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000177372740 432617208 /nfs/dbraw/zinc/61/72/08/432617208.db2.gz ULFJKPDFUMEDCL-GOSISDBHSA-N 0 3 313.832 3.361 10 30 DGEEHN CCN(CCc1nccs1)Cc1cc(C#N)ccc1OC ZINC000159247344 432676347 /nfs/dbraw/zinc/67/63/47/432676347.db2.gz RRHLWDGBRBFCPL-UHFFFAOYSA-N 0 3 301.415 3.088 10 30 DGEEHN CCN1CCC[C@H](NC(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000329992081 432886323 /nfs/dbraw/zinc/88/63/23/432886323.db2.gz ALGBUOUCIAMAHO-GPANFISMSA-N 0 3 321.465 3.353 10 30 DGEEHN Cc1noc(C(C)C)c1C(=O)NC1CC(N2CCCCC2)C1 ZINC000330101969 432893769 /nfs/dbraw/zinc/89/37/69/432893769.db2.gz IEJVQWZTEJOEAI-UHFFFAOYSA-N 0 3 305.422 3.428 10 30 DGEEHN COc1ccc(CN[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1C#N ZINC000245653237 432853009 /nfs/dbraw/zinc/85/30/09/432853009.db2.gz NLSCIEPMAGNTCK-AZUAARDMSA-N 0 3 321.424 3.102 10 30 DGEEHN Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330235246 432898282 /nfs/dbraw/zinc/89/82/82/432898282.db2.gz TUUAUIYWCPUBTH-SGIREYDYSA-N 0 3 306.381 3.268 10 30 DGEEHN Cc1ccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000330246215 432900068 /nfs/dbraw/zinc/90/00/68/432900068.db2.gz YCGCJZLBJAPAEZ-IUIKQTSFSA-N 0 3 306.381 3.268 10 30 DGEEHN Cc1cc(C)cc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)c1 ZINC000330240495 432900138 /nfs/dbraw/zinc/90/01/38/432900138.db2.gz FFYPBSYFYKRZBO-JQFCIGGWSA-N 0 3 302.418 3.437 10 30 DGEEHN CN(Cc1cccc(C#N)c1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336701135 433182067 /nfs/dbraw/zinc/18/20/67/433182067.db2.gz JVFJOWTZRYLMFG-IBGZPJMESA-N 0 3 323.415 3.404 10 30 DGEEHN C=C(C)CCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000454196385 433315780 /nfs/dbraw/zinc/31/57/80/433315780.db2.gz QCNDMXMNTNJCIR-UHFFFAOYSA-N 0 3 315.461 3.438 10 30 DGEEHN C=C(C)CN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000374788417 433278808 /nfs/dbraw/zinc/27/88/08/433278808.db2.gz OIZUVUWNBIDCBC-INIZCTEOSA-N 0 3 324.428 3.418 10 30 DGEEHN C=CCCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000448033690 433353349 /nfs/dbraw/zinc/35/33/49/433353349.db2.gz YZOLBQMCDXGKTQ-IRXDYDNUSA-N 0 3 308.853 3.268 10 30 DGEEHN C=CCCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000447990468 433342330 /nfs/dbraw/zinc/34/23/30/433342330.db2.gz RUJGXQFEAJCSTC-RDJZCZTQSA-N 0 3 301.434 3.087 10 30 DGEEHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000425982952 433395866 /nfs/dbraw/zinc/39/58/66/433395866.db2.gz YVNMDYISZVDORE-KURKYZTESA-N 0 3 313.445 3.182 10 30 DGEEHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000425982951 433396098 /nfs/dbraw/zinc/39/60/98/433396098.db2.gz YVNMDYISZVDORE-FGTMMUONSA-N 0 3 313.445 3.182 10 30 DGEEHN CC(C)(C#N)CCCCN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375467721 433473400 /nfs/dbraw/zinc/47/34/00/433473400.db2.gz ZARUGNNKVSBKEZ-CQSZACIVSA-N 0 3 302.422 3.456 10 30 DGEEHN C=CCn1c(C)nnc1S[C@@H]1CCN(Cc2ccccc2)C1 ZINC000283025762 433646279 /nfs/dbraw/zinc/64/62/79/433646279.db2.gz MMOTUOJFALNVTP-MRXNPFEDSA-N 0 3 314.458 3.139 10 30 DGEEHN C=CC(C)(C)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449934143 433878896 /nfs/dbraw/zinc/87/88/96/433878896.db2.gz HTFGHAYTANVPFS-UKRRQHHQSA-N 0 3 306.475 3.459 10 30 DGEEHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000346178564 434173931 /nfs/dbraw/zinc/17/39/31/434173931.db2.gz QINSWFLEOJZXFQ-BBWFWOEESA-N 0 3 301.434 3.086 10 30 DGEEHN CC(=O)Nc1ccn([C@H]2CCN(Cc3ccc(C)s3)C2)n1 ZINC000328626330 434293465 /nfs/dbraw/zinc/29/34/65/434293465.db2.gz LOIVVNFFBNJPHB-ZDUSSCGKSA-N 0 3 304.419 3.308 10 30 DGEEHN C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)N1CCCCCC1 ZINC000328867355 434319236 /nfs/dbraw/zinc/31/92/36/434319236.db2.gz CCRQUBPBPHOGCN-XNRPHZJLSA-N 0 3 307.438 3.105 10 30 DGEEHN Cc1oc(C(C)C)nc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000329186273 434370282 /nfs/dbraw/zinc/37/02/82/434370282.db2.gz PULQGSQFMDZLRG-AGUYFDCRSA-N 0 3 305.422 3.426 10 30 DGEEHN C[C@@H](NCCn1cnc2ccccc21)c1ccc(C#N)cc1F ZINC000358445887 434392002 /nfs/dbraw/zinc/39/20/02/434392002.db2.gz OGIJRVGMRCNMKV-CYBMUJFWSA-N 0 3 308.360 3.398 10 30 DGEEHN C[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358580497 434399081 /nfs/dbraw/zinc/39/90/81/434399081.db2.gz XYFUVJMDMOUBSX-WBMJQRKESA-N 0 3 316.351 3.091 10 30 DGEEHN C[C@@H](NC[C@H](C)N1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358594776 434400105 /nfs/dbraw/zinc/40/01/05/434400105.db2.gz UDUVMJORIXSOAO-LSDHHAIUSA-N 0 3 303.425 3.468 10 30 DGEEHN CC#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000370423819 434613698 /nfs/dbraw/zinc/61/36/98/434613698.db2.gz VZDBJNHEGJVEGW-UXHICEINSA-N 0 3 324.468 3.446 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1sc(C)cc1Br ZINC000424173160 434644821 /nfs/dbraw/zinc/64/48/21/434644821.db2.gz PFJAJULLDJJEDA-JQWIXIFHSA-N 0 3 316.264 3.500 10 30 DGEEHN C[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000453246940 434840655 /nfs/dbraw/zinc/84/06/55/434840655.db2.gz MZCBFLITIUELDD-LRDDRELGSA-N 0 3 316.351 3.091 10 30 DGEEHN CC#CCCN1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000462357831 434909698 /nfs/dbraw/zinc/90/96/98/434909698.db2.gz VNOOFXAOSICJHQ-HXUWFJFHSA-N 0 3 320.436 3.447 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000575896296 435053330 /nfs/dbraw/zinc/05/33/30/435053330.db2.gz JFJYOTCEGZIDPE-WMZOPIPTSA-N 0 3 315.461 3.257 10 30 DGEEHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CC[C@H]3C3CCC3)C2=O)cc1 ZINC000558695892 435105835 /nfs/dbraw/zinc/10/58/35/435105835.db2.gz IOVXNJSYOQZSCI-FHWLQOOXSA-N 0 3 323.440 3.222 10 30 DGEEHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CC[C@@H]3C3CCC3)C2=O)cc1 ZINC000558695894 435105929 /nfs/dbraw/zinc/10/59/29/435105929.db2.gz IOVXNJSYOQZSCI-QRVBRYPASA-N 0 3 323.440 3.222 10 30 DGEEHN Cc1ccc(C[C@@H](CO)N[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000467415086 435120835 /nfs/dbraw/zinc/12/08/35/435120835.db2.gz CUFMKYYVMBSEHG-YOEHRIQHSA-N 0 3 312.388 3.260 10 30 DGEEHN C=CCn1c(SC[C@H](C)N(C)C)nnc1-c1ccccc1F ZINC000479193792 435322837 /nfs/dbraw/zinc/32/28/37/435322837.db2.gz MECCTSYWGUWWNN-LBPRGKRZSA-N 0 3 320.437 3.312 10 30 DGEEHN C=C(C)COc1cc(CN(C)[C@H]2C[C@@H](OC)C2)ccc1OC ZINC000517436296 435595011 /nfs/dbraw/zinc/59/50/11/435595011.db2.gz QXKVIHFIWWFZOA-IYBDPMFKSA-N 0 3 305.418 3.259 10 30 DGEEHN C=CCCC[C@@H](C)NC(=O)c1ccccc1OCCN(C)C ZINC000540539319 435606190 /nfs/dbraw/zinc/60/61/90/435606190.db2.gz NBMDPAHDEIKRPX-OAHLLOKOSA-N 0 3 304.434 3.102 10 30 DGEEHN N#Cc1ccc2ncc(CN(C[C@@H]3CCCO3)C3CCCC3)n2c1 ZINC000093665872 303201726 /nfs/dbraw/zinc/20/17/26/303201726.db2.gz ARAONUKHTYIONE-SFHVURJKSA-N 0 3 324.428 3.130 10 30 DGEEHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1ccc(C#N)cc1 ZINC000551425895 314561180 /nfs/dbraw/zinc/56/11/80/314561180.db2.gz PIILUJIVKWNDSR-HNAYVOBHSA-N 0 3 322.408 3.068 10 30 DGEEHN COc1ccc(CN(Cc2ccccc2)CC(C)(C)O)cc1C#N ZINC000181146047 323247457 /nfs/dbraw/zinc/24/74/57/323247457.db2.gz ABPWHUOLAQVUMC-UHFFFAOYSA-N 0 3 324.424 3.340 10 30 DGEEHN Cc1cc(CNCc2ccc(Cn3ccnc3)cc2)ccc1C#N ZINC000443972576 533706579 /nfs/dbraw/zinc/70/65/79/533706579.db2.gz YCJWWTKVBADLKG-UHFFFAOYSA-N 0 3 316.408 3.401 10 30 DGEEHN C=CCc1cc(CN[C@@H]2CCc3cc(N)ccc32)cc(OC)c1O ZINC000569825428 332683977 /nfs/dbraw/zinc/68/39/77/332683977.db2.gz QGXOSPHWNXLAGE-GOSISDBHSA-N 0 3 324.424 3.489 10 30 DGEEHN N#CCc1ccc(CN2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000329646747 336026425 /nfs/dbraw/zinc/02/64/25/336026425.db2.gz ZZMVOYZBJFTGQX-UHFFFAOYSA-N 0 3 322.412 3.393 10 30 DGEEHN C=C(C)COc1cc(CN[C@@]23C[C@@H]2COC3(C)C)ccc1OC ZINC000527767736 337762340 /nfs/dbraw/zinc/76/23/40/337762340.db2.gz YHPLAULMAISCSK-BEFAXECRSA-N 0 3 317.429 3.307 10 30 DGEEHN CO[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CC[C@@H]1C ZINC000249139897 341394579 /nfs/dbraw/zinc/39/45/79/341394579.db2.gz FKVVQQZIZVADNC-MAUKXSAKSA-N 0 3 302.418 3.226 10 30 DGEEHN C#CCOC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1C ZINC000036104455 518312192 /nfs/dbraw/zinc/31/21/92/518312192.db2.gz KAUKFOFVAXKEBC-OAQYLSRUSA-N 0 3 323.436 3.008 10 30 DGEEHN C=CCC1(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CCCC1 ZINC000459051502 534598484 /nfs/dbraw/zinc/59/84/84/534598484.db2.gz ORUNUPQCYWAUMY-MRXNPFEDSA-N 0 3 305.466 3.001 10 30 DGEEHN CC#CCCN1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000360485321 526308545 /nfs/dbraw/zinc/30/85/45/526308545.db2.gz BRILJHVQVVSASZ-YLJYHZDGSA-N 0 3 313.489 3.336 10 30 DGEEHN C=CCOc1ccc(CN(C)CCC(=O)OC(C)(C)C)cc1 ZINC000351604851 526862308 /nfs/dbraw/zinc/86/23/08/526862308.db2.gz XSNWZVDFNCRITB-UHFFFAOYSA-N 0 3 305.418 3.415 10 30 DGEEHN C=CCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@]23CCCO3)cc1 ZINC000353892006 526888463 /nfs/dbraw/zinc/88/84/63/526888463.db2.gz YZTCSZVECVCURQ-QRVBRYPASA-N 0 3 317.429 3.068 10 30 DGEEHN C=CCC(C)(C)CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415965968 527009940 /nfs/dbraw/zinc/00/99/40/527009940.db2.gz BCUAHQIGNCVPTE-UHFFFAOYSA-N 0 3 305.397 3.195 10 30 DGEEHN C=CC[C@@H](CO)NCc1ccc(Cl)c(Br)c1 ZINC000184273637 527101301 /nfs/dbraw/zinc/10/13/01/527101301.db2.gz WJCYHDPBHNMGFK-JTQLQIEISA-N 0 3 304.615 3.129 10 30 DGEEHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000346178567 527157332 /nfs/dbraw/zinc/15/73/32/527157332.db2.gz QINSWFLEOJZXFQ-GVDBMIGSSA-N 0 3 301.434 3.086 10 30 DGEEHN C=CCn1c(Cc2ccccc2)nnc1SC[C@@H](C)N(C)C ZINC000358852940 527326499 /nfs/dbraw/zinc/32/64/99/527326499.db2.gz HODJDISWWSYYAW-CQSZACIVSA-N 0 3 316.474 3.097 10 30 DGEEHN C=CCn1c(SC[C@H](C)N(C)C)nnc1-c1cccs1 ZINC000358802952 527341741 /nfs/dbraw/zinc/34/17/41/527341741.db2.gz QQXRPLPFRSYZRH-NSHDSACASA-N 0 3 308.476 3.235 10 30 DGEEHN N#Cc1ccc(OCCN[C@@H]2CCCOc3ccccc32)cc1 ZINC000181154980 546153942 /nfs/dbraw/zinc/15/39/42/546153942.db2.gz YDGMBPXPVJWBTC-GOSISDBHSA-N 0 3 308.381 3.441 10 30 DGEEHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000585159406 547025961 /nfs/dbraw/zinc/02/59/61/547025961.db2.gz NZKJOEAYACKSDF-YDVWWWKISA-N 0 3 323.440 3.253 10 30 DGEEHN CC(C)(C)NCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725244879 549811375 /nfs/dbraw/zinc/81/13/75/549811375.db2.gz AVUVCVBFEROFEF-UHFFFAOYSA-N 0 3 306.207 3.065 10 30 DGEEHN C=CCCC(=O)Oc1ccc(OCCN2CCCCC2)cc1 ZINC000733683572 574634322 /nfs/dbraw/zinc/63/43/22/574634322.db2.gz XMSAEKCFKMNPEI-UHFFFAOYSA-N 0 3 303.402 3.423 10 30 DGEEHN COc1ccc(CN[C@H]2C[C@@H](OCC(C)C)C2(C)C)cc1C#N ZINC000742372148 574993369 /nfs/dbraw/zinc/99/33/69/574993369.db2.gz SMMHCFRFWQLLBJ-ZWKOTPCHSA-N 0 3 316.445 3.496 10 30 DGEEHN N#Cc1ccc(CNCCc2sccc2Br)o1 ZINC000713104214 661190214 /nfs/dbraw/zinc/19/02/14/661190214.db2.gz HNVNPPZZUQONMT-UHFFFAOYSA-N 0 3 311.204 3.308 10 30 DGEEHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000069953023 660031248 /nfs/dbraw/zinc/03/12/48/660031248.db2.gz MUPVLGUMYLOXLC-KRWDZBQOSA-N 0 3 312.413 3.085 10 30 DGEEHN Cc1cc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)no1 ZINC000179458419 432059372 /nfs/dbraw/zinc/05/93/72/432059372.db2.gz YVHKJSARVHEBKI-LBPRGKRZSA-N 0 3 324.365 3.352 10 30 DGEEHN C=CCOc1ccc(CNC[C@H](O)Cc2cccc(F)c2)cc1 ZINC000449366529 240159482 /nfs/dbraw/zinc/15/94/82/240159482.db2.gz WYBUIKGZQANPHD-GOSISDBHSA-N 0 3 315.388 3.084 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@H](O)Cc1cccc(F)c1 ZINC000449365664 240159624 /nfs/dbraw/zinc/15/96/24/240159624.db2.gz UQOQGZWHHFSEKP-SFHVURJKSA-N 0 3 315.388 3.084 10 30 DGEEHN CN(Cc1ccc(C#N)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000091932316 193128861 /nfs/dbraw/zinc/12/88/61/193128861.db2.gz BUUFMSUFFWCSNE-KRWDZBQOSA-N 0 3 309.413 3.248 10 30 DGEEHN CN(Cc1ccc(C#N)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000091932314 193129222 /nfs/dbraw/zinc/12/92/22/193129222.db2.gz BUUFMSUFFWCSNE-QGZVFWFLSA-N 0 3 309.413 3.248 10 30 DGEEHN N#CCCOCCN1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000451916828 241275434 /nfs/dbraw/zinc/27/54/34/241275434.db2.gz LRHKZFGHAHWFMW-UHFFFAOYSA-N 0 3 308.372 3.150 10 30 DGEEHN CCSCC[C@H](C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000093870925 193320516 /nfs/dbraw/zinc/32/05/16/193320516.db2.gz QLSXSYOLFLXGNC-ZDUSSCGKSA-N 0 3 302.447 3.169 10 30 DGEEHN Cc1cnn([C@H]2CCCN(CCCOc3ccc(C#N)cc3)C2)c1 ZINC000171530100 432141527 /nfs/dbraw/zinc/14/15/27/432141527.db2.gz WGAVALAXJXICIG-SFHVURJKSA-N 0 3 324.428 3.169 10 30 DGEEHN CCN(CC)CCN[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000037941084 182940631 /nfs/dbraw/zinc/94/06/31/182940631.db2.gz RRUDFMDXPIVTLL-ZDUSSCGKSA-N 0 3 300.233 3.489 10 30 DGEEHN C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)Cn2cncn2)cc1 ZINC000268862834 207031956 /nfs/dbraw/zinc/03/19/56/207031956.db2.gz CCYLPQQOZSLFJB-ZIAGYGMSSA-N 0 3 320.824 3.149 10 30 DGEEHN C=C[C@@H](C)Oc1ccc(Br)cc1CNCCOC ZINC000062730168 184251568 /nfs/dbraw/zinc/25/15/68/184251568.db2.gz LQPIDOOIVPPGSD-LLVKDONJSA-N 0 3 314.223 3.138 10 30 DGEEHN C[C@H](NCc1cc(C#N)cs1)c1ccc(-n2ccnn2)cc1 ZINC000119871335 195053946 /nfs/dbraw/zinc/05/39/46/195053946.db2.gz HTHSXBJAOLMNJT-LBPRGKRZSA-N 0 3 309.398 3.051 10 30 DGEEHN C[C@H](NCc1ccc(C#N)s1)c1ccc(-n2ccnn2)cc1 ZINC000119918530 195062831 /nfs/dbraw/zinc/06/28/31/195062831.db2.gz PROLBXLLWYTYRV-LBPRGKRZSA-N 0 3 309.398 3.051 10 30 DGEEHN C=CCOC[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccc(OC)cc2)O1 ZINC000247876646 257114910 /nfs/dbraw/zinc/11/49/10/257114910.db2.gz HDCBIOYQFFXWCH-FHWLQOOXSA-N 0 3 317.429 3.020 10 30 DGEEHN C=CCOC[C@@H]1CC[C@@H]2[C@H](CCN2Cc2ccc(F)cc2)O1 ZINC000503719102 257208409 /nfs/dbraw/zinc/20/84/09/257208409.db2.gz XVNCDTMQCTXAGO-KSZLIROESA-N 0 3 305.393 3.150 10 30 DGEEHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@]2(CC=CCC2)C1 ZINC000609625800 400182374 /nfs/dbraw/zinc/18/23/74/400182374.db2.gz CIIIUAOFQLZEEJ-BHIYHBOVSA-N 0 3 317.477 3.252 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CCCCC[C@@H]2CC)CC1 ZINC000120229882 400444141 /nfs/dbraw/zinc/44/41/41/400444141.db2.gz GJKHONHZVIVUBG-KRWDZBQOSA-N 0 3 307.482 3.391 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617975802 400495486 /nfs/dbraw/zinc/49/54/86/400495486.db2.gz DYNMVYIQHUGRQY-MRXNPFEDSA-N 0 3 315.461 3.012 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076737918 400669200 /nfs/dbraw/zinc/66/92/00/400669200.db2.gz NKGORZINZAEXOF-LBPRGKRZSA-N 0 3 305.809 3.437 10 30 DGEEHN Cn1nccc1[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000619200287 400798127 /nfs/dbraw/zinc/79/81/27/400798127.db2.gz QJJKNDYVKLKRGF-GDBMZVCRSA-N 0 3 312.392 3.247 10 30 DGEEHN C=CCCCN(C)CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000605737484 400884288 /nfs/dbraw/zinc/88/42/88/400884288.db2.gz FPBZJZYIKAORBB-IBGZPJMESA-N 0 3 318.461 3.407 10 30 DGEEHN C=CCN1CCC(Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593460332 400854796 /nfs/dbraw/zinc/85/47/96/400854796.db2.gz DZUPPRQJIMJCAM-UHFFFAOYSA-N 0 3 312.373 3.205 10 30 DGEEHN C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624788555 400951943 /nfs/dbraw/zinc/95/19/43/400951943.db2.gz VSEJKLZFNMTTME-RDJZCZTQSA-N 0 3 305.466 3.001 10 30 DGEEHN C=CC[C@H](CO)NCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000184273101 400902814 /nfs/dbraw/zinc/90/28/14/400902814.db2.gz BCVZLBRFBOBENI-CYBMUJFWSA-N 0 3 314.212 3.296 10 30 DGEEHN CO[C@H]1CN(Cc2cccc(OCCCC#N)c2)CC[C@@H]1C ZINC000188320083 400907979 /nfs/dbraw/zinc/90/79/79/400907979.db2.gz FKVVQQZIZVADNC-YJBOKZPZSA-N 0 3 302.418 3.226 10 30 DGEEHN CCN(Cc1ccc(Cl)s1)C(=O)[C@H](N)CCCCC#N ZINC000594428384 401063930 /nfs/dbraw/zinc/06/39/30/401063930.db2.gz YOXBOEBKMVHYQD-GFCCVEGCSA-N 0 3 313.854 3.161 10 30 DGEEHN C=CCCC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000594709134 401156539 /nfs/dbraw/zinc/15/65/39/401156539.db2.gz DUKHSGCLVGAMIP-QGZVFWFLSA-N 0 3 311.429 3.201 10 30 DGEEHN C=CCN1CC[C@H](NC(C)(C)c2ccc3ccccc3c2)C1=O ZINC000626116113 401304291 /nfs/dbraw/zinc/30/42/91/401304291.db2.gz QJFHEOBACGKVDH-SFHVURJKSA-N 0 3 308.425 3.451 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000626289446 401335864 /nfs/dbraw/zinc/33/58/64/401335864.db2.gz WEKAECACVMOJHJ-HNNXBMFYSA-N 0 3 317.433 3.057 10 30 DGEEHN C=CCOc1c(Cl)cc(CNCC2=CCOCC2)cc1OC ZINC000623537392 401542411 /nfs/dbraw/zinc/54/24/11/401542411.db2.gz WRJHHSNRZKLTHQ-UHFFFAOYSA-N 0 3 323.820 3.350 10 30 DGEEHN C=CC(C)(C)CCNCc1cc2c(cc1OCCOC)OCO2 ZINC000623592319 401552196 /nfs/dbraw/zinc/55/21/96/401552196.db2.gz GTJOLYROGWXHNZ-UHFFFAOYSA-N 0 3 321.417 3.132 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@H]1CCCN1CC(F)F ZINC000623626582 401558647 /nfs/dbraw/zinc/55/86/47/401558647.db2.gz ZHGIEYOLQSRUMK-HNNXBMFYSA-N 0 3 310.388 3.071 10 30 DGEEHN C=CCOc1c(Cl)cc(CN(C)CCCCO)cc1OC ZINC000628249026 401559800 /nfs/dbraw/zinc/55/98/00/401559800.db2.gz MDSHRDKMJVUORE-UHFFFAOYSA-N 0 3 313.825 3.118 10 30 DGEEHN C=CC(C)(C)CCN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000624036904 401616654 /nfs/dbraw/zinc/61/66/54/401616654.db2.gz DAZAADZYTUILNH-HNNXBMFYSA-N 0 3 309.475 3.349 10 30 DGEEHN C=C[C@H](CC(=O)NC[C@@H]1CCN1C1CCCC1)c1ccccc1 ZINC000628965190 401651125 /nfs/dbraw/zinc/65/11/25/401651125.db2.gz KOKIXOJGUYEKQG-APWZRJJASA-N 0 3 312.457 3.479 10 30 DGEEHN CN(Cc1cccnc1)C[C@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000190450892 432159188 /nfs/dbraw/zinc/15/91/88/432159188.db2.gz JTICCNFLDVEGPM-MRXNPFEDSA-N 0 3 324.403 3.051 10 30 DGEEHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccc(C)o1 ZINC000182570142 432204717 /nfs/dbraw/zinc/20/47/17/432204717.db2.gz ZYCJJORTQOKBSO-CYBMUJFWSA-N 0 3 300.358 3.198 10 30 DGEEHN C[C@@H](NCCc1cn2ccccc2n1)c1ccc(C#N)cc1F ZINC000358569084 266965517 /nfs/dbraw/zinc/96/55/17/266965517.db2.gz LQKQGWKOSKNQBQ-CYBMUJFWSA-N 0 3 308.360 3.238 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000076737846 431563283 /nfs/dbraw/zinc/56/32/83/431563283.db2.gz OZVBIODKITZPGG-GJZGRUSLSA-N 0 3 304.434 3.159 10 30 DGEEHN C=CCCCN(C)CC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000076737672 431562911 /nfs/dbraw/zinc/56/29/11/431562911.db2.gz HKZAAZCXAQPQLB-OAHLLOKOSA-N 0 3 304.434 3.113 10 30 DGEEHN C[C@H](C#N)Oc1ccc(CN2CCC(Cn3cccn3)CC2)cc1 ZINC000122072610 431810596 /nfs/dbraw/zinc/81/05/96/431810596.db2.gz LMXWLOXEYKPDOS-MRXNPFEDSA-N 0 3 324.428 3.086 10 30 DGEEHN C#CCOc1ccccc1CN(CC)CCc1nccs1 ZINC000093764620 431917976 /nfs/dbraw/zinc/91/79/76/431917976.db2.gz YTBQCYLIZBVVPP-UHFFFAOYSA-N 0 3 300.427 3.220 10 30 DGEEHN CC[C@H](C(=O)NCc1ccc(-c2ccccc2C#N)cc1)N(C)C ZINC000091101574 431902897 /nfs/dbraw/zinc/90/28/97/431902897.db2.gz NNBFIGRRWIVNQJ-LJQANCHMSA-N 0 3 321.424 3.182 10 30 DGEEHN C=CCOc1ccccc1CNCCNC(=O)c1ccc(C)cc1 ZINC000052041804 431954526 /nfs/dbraw/zinc/95/45/26/431954526.db2.gz NHQXUKJWBFDAFM-UHFFFAOYSA-N 0 3 324.424 3.079 10 30 DGEEHN COc1ccccc1N1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000151863143 432282741 /nfs/dbraw/zinc/28/27/41/432282741.db2.gz IBOKRHXXHADKSC-CRAIPNDOSA-N 0 3 321.424 3.496 10 30 DGEEHN C=CC[C@H](CO)NCc1ccc(Br)c(Cl)c1 ZINC000192208134 432345561 /nfs/dbraw/zinc/34/55/61/432345561.db2.gz OFVQKIMVYJYFCE-SNVBAGLBSA-N 0 3 304.615 3.129 10 30 DGEEHN N#Cc1cc(C(=O)Nc2cccc(CN3CCCCC3)c2)ccn1 ZINC000192659714 432397630 /nfs/dbraw/zinc/39/76/30/432397630.db2.gz YIUBVUAPFSGARP-UHFFFAOYSA-N 0 3 320.396 3.191 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000185307460 432488852 /nfs/dbraw/zinc/48/88/52/432488852.db2.gz UMDRGQWDGINFBA-CQSZACIVSA-N 0 3 324.415 3.457 10 30 DGEEHN C=CCCCCCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000193336035 432466996 /nfs/dbraw/zinc/46/69/96/432466996.db2.gz PAJZJJPCUPGCKT-LJQANCHMSA-N 0 3 302.462 3.084 10 30 DGEEHN Cc1ccc([C@@H](C)NCCC(=O)Nc2sccc2C#N)o1 ZINC000194413298 432549182 /nfs/dbraw/zinc/54/91/82/432549182.db2.gz JJAJALCVCUQTFN-LLVKDONJSA-N 0 3 303.387 3.201 10 30 DGEEHN N#Cc1ccc2ncc(CN3CC[C@@H](c4ccccc4)C3)n2c1 ZINC000155061318 432537352 /nfs/dbraw/zinc/53/73/52/432537352.db2.gz HTLOOBPDAVCBHN-QGZVFWFLSA-N 0 3 302.381 3.195 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000185919579 432546305 /nfs/dbraw/zinc/54/63/05/432546305.db2.gz KJZYOVIFJVRCGK-CVEARBPZSA-N 0 3 315.461 3.326 10 30 DGEEHN C=CC[C@@H](CO)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186700453 432624430 /nfs/dbraw/zinc/62/44/30/432624430.db2.gz NUCGRGQYFCYPSJ-ZBFHGGJFSA-N 0 3 306.425 3.404 10 30 DGEEHN COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000195314867 432618136 /nfs/dbraw/zinc/61/81/36/432618136.db2.gz LXRKXEOXSZISGY-INIZCTEOSA-N 0 3 322.408 3.370 10 30 DGEEHN C=CC[C@H](C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000188225142 432712747 /nfs/dbraw/zinc/71/27/47/432712747.db2.gz UYPRYXQTSFBOIN-NJAFHUGGSA-N 0 3 300.446 3.287 10 30 DGEEHN C=CCN1CCC(NC(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000188691662 432740015 /nfs/dbraw/zinc/74/00/15/432740015.db2.gz RRHXLJNFFKOENS-UHFFFAOYSA-N 0 3 313.445 3.014 10 30 DGEEHN C[C@]1(CNc2ncccc2C#N)CCCN1Cc1ccccc1 ZINC000160804322 432742740 /nfs/dbraw/zinc/74/27/40/432742740.db2.gz OQLMUFYTMYFWPF-LJQANCHMSA-N 0 3 306.413 3.420 10 30 DGEEHN C[C@@]1(CNc2ncccc2C#N)CCCN1Cc1ccccc1 ZINC000160804460 432742783 /nfs/dbraw/zinc/74/27/83/432742783.db2.gz OQLMUFYTMYFWPF-IBGZPJMESA-N 0 3 306.413 3.420 10 30 DGEEHN Cc1ccc(C)c(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)c1 ZINC000330258838 432901078 /nfs/dbraw/zinc/90/10/78/432901078.db2.gz MUKWMIAOWZYDEV-JLJPHGGASA-N 0 3 302.418 3.437 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccccc1Cl ZINC000330268070 432901267 /nfs/dbraw/zinc/90/12/67/432901267.db2.gz QXXGEPKTIJRSBL-VQISRLSMSA-N 0 3 308.809 3.474 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425015584 433077189 /nfs/dbraw/zinc/07/71/89/433077189.db2.gz VUEKZTPLQVTSGE-YTQUADARSA-N 0 3 312.457 3.322 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@](C)(c2ccccc2)C1 ZINC000446711495 433083247 /nfs/dbraw/zinc/08/32/47/433083247.db2.gz MRJDKPJYXMTJMQ-PXNSSMCTSA-N 0 3 312.457 3.239 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453340847 433102655 /nfs/dbraw/zinc/10/26/55/433102655.db2.gz CQFRVAJNFGCVBN-QRQLOZEOSA-N 0 3 309.413 3.183 10 30 DGEEHN C#CCCCCC(=O)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000373142389 433103268 /nfs/dbraw/zinc/10/32/68/433103268.db2.gz STPVVQLSCOQFQD-IBGZPJMESA-N 0 3 312.457 3.003 10 30 DGEEHN C[C@@H](NC[C@@H]1CCCCN1C1CC1)c1ccc(C#N)cc1F ZINC000447600482 433243826 /nfs/dbraw/zinc/24/38/26/433243826.db2.gz MGWNNLHOUNUMFY-CJNGLKHVSA-N 0 3 301.409 3.365 10 30 DGEEHN C=CCCCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000448035778 433354271 /nfs/dbraw/zinc/35/42/71/433354271.db2.gz SGILPDBZQYZGHX-QGZVFWFLSA-N 0 3 315.461 3.259 10 30 DGEEHN C=CCCCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000448035777 433355880 /nfs/dbraw/zinc/35/58/80/433355880.db2.gz SGILPDBZQYZGHX-KRWDZBQOSA-N 0 3 315.461 3.259 10 30 DGEEHN C(#Cc1ccccc1)CN1CCC(CCCn2ccnc2)CC1 ZINC000361749074 433370355 /nfs/dbraw/zinc/37/03/55/433370355.db2.gz SEIFJTZPABWJHZ-UHFFFAOYSA-N 0 3 307.441 3.427 10 30 DGEEHN C=CCCCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000447961238 433333452 /nfs/dbraw/zinc/33/34/52/433333452.db2.gz AWCOPVNTMBHKER-MRXNPFEDSA-N 0 3 315.461 3.477 10 30 DGEEHN N#Cc1ccc2ncc(CN[C@H]3CCCc4sccc43)n2c1 ZINC000160976100 292825221 /nfs/dbraw/zinc/82/52/21/292825221.db2.gz AUZIWAGPTOSQHB-HNNXBMFYSA-N 0 3 308.410 3.435 10 30 DGEEHN C[C@H](CN[C@H](C)c1cccc(C#N)c1)N(C)C(=O)OC(C)(C)C ZINC000283355965 433710167 /nfs/dbraw/zinc/71/01/67/433710167.db2.gz MUDDAKPQBDIMHS-ZIAGYGMSSA-N 0 3 317.433 3.464 10 30 DGEEHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)c1cccc(C#N)n1 ZINC000301871661 433771588 /nfs/dbraw/zinc/77/15/88/433771588.db2.gz WWLPKWCOJNLTNV-VQIMIIECSA-N 0 3 320.440 3.300 10 30 DGEEHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000285100017 433919461 /nfs/dbraw/zinc/91/94/61/433919461.db2.gz LTKZOBPROUFCSN-QFBILLFUSA-N 0 3 306.409 3.238 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000416333430 434102680 /nfs/dbraw/zinc/10/26/80/434102680.db2.gz LMYXMKVPKPXFLV-AWEZNQCLSA-N 0 3 320.433 3.176 10 30 DGEEHN CC(=O)Nc1ccn([C@@H]2CCN(CCc3ccccc3F)C2)n1 ZINC000328617274 434290735 /nfs/dbraw/zinc/29/07/35/434290735.db2.gz CPRNITDGFNUCSH-OAHLLOKOSA-N 0 3 316.380 3.120 10 30 DGEEHN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)CCC2 ZINC000328645070 434292721 /nfs/dbraw/zinc/29/27/21/434292721.db2.gz GGHDTVJJYCDFTD-CVEARBPZSA-N 0 3 318.465 3.290 10 30 DGEEHN O=C(CN[C@@H]1CCC(=O)NC12CCC2)Nc1ccccc1F ZINC000328714541 434300097 /nfs/dbraw/zinc/30/00/97/434300097.db2.gz SMYTVXXRHXHTCF-CYBMUJFWSA-N 0 3 305.353 3.045 10 30 DGEEHN Cc1nccn1C[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358567097 434399969 /nfs/dbraw/zinc/39/99/69/434399969.db2.gz JFCNZTRDDVYUKH-OLZOCXBDSA-N 0 3 300.381 3.189 10 30 DGEEHN COc1cc(C#N)ccc1CN[C@@H](C)CCCc1cccnc1 ZINC000459642618 434645025 /nfs/dbraw/zinc/64/50/25/434645025.db2.gz SWOJUQPCEOPVHT-HNNXBMFYSA-N 0 3 309.413 3.463 10 30 DGEEHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424062605 434611550 /nfs/dbraw/zinc/61/15/50/434611550.db2.gz HCVSZFUPBZANKC-TVQRCGJNSA-N 0 3 314.216 3.192 10 30 DGEEHN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000523583132 434954244 /nfs/dbraw/zinc/95/42/44/434954244.db2.gz WDNAWCIIHBACNF-INIZCTEOSA-N 0 3 318.848 3.330 10 30 DGEEHN C=CC[C@@H](CO)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000527889535 435015725 /nfs/dbraw/zinc/01/57/25/435015725.db2.gz FMWRYSJBKLCFMV-BDAKNGLRSA-N 0 3 320.177 3.315 10 30 DGEEHN C=CCc1cc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc(OC)c1O ZINC000527804173 435015773 /nfs/dbraw/zinc/01/57/73/435015773.db2.gz NINAYEULXXXQKU-LKQDWFRTSA-N 0 3 305.418 3.031 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000575896294 435052454 /nfs/dbraw/zinc/05/24/54/435052454.db2.gz JFJYOTCEGZIDPE-FUHWJXTLSA-N 0 3 315.461 3.257 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C(C)C)cc1 ZINC000584094999 435274353 /nfs/dbraw/zinc/27/43/53/435274353.db2.gz UPTGPQAUCJKSKP-SJORKVTESA-N 0 3 302.418 3.072 10 30 DGEEHN C=CCOc1ccc(CN(C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000480621190 435386134 /nfs/dbraw/zinc/38/61/34/435386134.db2.gz JEKQIMNSJVGOML-IBGZPJMESA-N 0 3 311.425 3.287 10 30 DGEEHN C=CCCCCCN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000569116974 435505913 /nfs/dbraw/zinc/50/59/13/435505913.db2.gz KYHMJIKFUKCGSO-MRXNPFEDSA-N 0 3 309.475 3.493 10 30 DGEEHN C=CCCCCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000517169769 435579848 /nfs/dbraw/zinc/57/98/48/435579848.db2.gz BPFKKTQRHCBXSG-MRXNPFEDSA-N 0 3 307.482 3.249 10 30 DGEEHN C=CCCCCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000517169766 435580166 /nfs/dbraw/zinc/58/01/66/435580166.db2.gz BPFKKTQRHCBXSG-INIZCTEOSA-N 0 3 307.482 3.249 10 30 DGEEHN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(-n2ccnn2)cc1 ZINC000182014837 323279461 /nfs/dbraw/zinc/27/94/61/323279461.db2.gz DXLXJTQCWWECBV-ZDUSSCGKSA-N 0 3 321.359 3.129 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000499255283 333235506 /nfs/dbraw/zinc/23/55/06/333235506.db2.gz MYVHXITXQKLUSK-ZWKOTPCHSA-N 0 3 303.446 3.480 10 30 DGEEHN C=CCSc1ccccc1NC(=O)CN[C@H]1CCOC1(C)C ZINC000295207134 335131045 /nfs/dbraw/zinc/13/10/45/335131045.db2.gz LPTIJGSTVFTCCE-HNNXBMFYSA-N 0 3 320.458 3.060 10 30 DGEEHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(OCC)c(OC)cc1F ZINC000527701801 337757631 /nfs/dbraw/zinc/75/76/31/337757631.db2.gz AMWJCBBEGCLMAG-SCLBCKFNSA-N 0 3 323.408 3.304 10 30 DGEEHN C=CCCc1ccccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000505035346 340159425 /nfs/dbraw/zinc/15/94/25/340159425.db2.gz LMFQJLOJZTVNTB-QGZVFWFLSA-N 0 3 311.429 3.283 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000509566339 340273669 /nfs/dbraw/zinc/27/36/69/340273669.db2.gz DYVIFFPHRNSQGY-GJZGRUSLSA-N 0 3 307.438 3.316 10 30 DGEEHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1CC=CCC1 ZINC000542248779 341001836 /nfs/dbraw/zinc/00/18/36/341001836.db2.gz WQGZDCYUPTUBOS-JKSUJKDBSA-N 0 3 303.450 3.006 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](c2ccc(C)cc2)C1 ZINC000542323637 341005143 /nfs/dbraw/zinc/00/51/43/341005143.db2.gz WDVZMYQQSNZPLV-HKUYNNGSSA-N 0 3 312.457 3.373 10 30 DGEEHN C=CCN(Cc1ccccc1)C(=O)CCN(C)c1ccncc1 ZINC000542787605 341020667 /nfs/dbraw/zinc/02/06/67/341020667.db2.gz PHDHETGXWPUHHB-UHFFFAOYSA-N 0 3 309.413 3.123 10 30 DGEEHN C=C(C)COCCNCc1cccc(OCC(F)(F)F)c1 ZINC000134507090 341216622 /nfs/dbraw/zinc/21/66/22/341216622.db2.gz WDDWXDCPPCBAGX-UHFFFAOYSA-N 0 3 303.324 3.310 10 30 DGEEHN C=CC[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)c1ccccc1 ZINC000249274995 341395655 /nfs/dbraw/zinc/39/56/55/341395655.db2.gz LQOMNSPZZUPOMN-RYQLBKOJSA-N 0 3 300.446 3.191 10 30 DGEEHN C[C@@H](CN(C)Cc1ccccc1)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302218382 533745135 /nfs/dbraw/zinc/74/51/35/533745135.db2.gz QNWDEBLKXCLCHS-AWEZNQCLSA-N 0 3 324.384 3.399 10 30 DGEEHN C=C(CC)CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494277499 534420005 /nfs/dbraw/zinc/42/00/05/534420005.db2.gz RNYJVHMLFMNMEC-HOCLYGCPSA-N 0 3 310.800 3.307 10 30 DGEEHN C=CCC1(CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000459054728 534598118 /nfs/dbraw/zinc/59/81/18/534598118.db2.gz SPJKFRCWGMWKFZ-JKSUJKDBSA-N 0 3 307.482 3.247 10 30 DGEEHN C=CCN1CC[C@@H](N[C@H](c2ccc(Cl)cc2)C2CC2)C1=O ZINC000337168551 526485561 /nfs/dbraw/zinc/48/55/61/526485561.db2.gz BRUJZEOTWPABQY-CVEARBPZSA-N 0 3 304.821 3.168 10 30 DGEEHN C=CCN[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429354013 526678202 /nfs/dbraw/zinc/67/82/02/526678202.db2.gz LPAOHBHAEXNLDS-LPHOPBHVSA-N 0 3 313.372 3.352 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000185143324 526706470 /nfs/dbraw/zinc/70/64/70/526706470.db2.gz KHAJGDVYJSAODM-INIZCTEOSA-N 0 3 313.445 3.051 10 30 DGEEHN C=CCOCCN[C@@H](C)c1ccc(Br)cc1OC ZINC000339119459 526782253 /nfs/dbraw/zinc/78/22/53/526782253.db2.gz SLMYGZMUKJOIHA-NSHDSACASA-N 0 3 314.223 3.311 10 30 DGEEHN C=CCOc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000352899787 526887634 /nfs/dbraw/zinc/88/76/34/526887634.db2.gz DZZDNEWVNBJZJX-UHFFFAOYSA-N 0 3 318.380 3.061 10 30 DGEEHN C=CCSCCN[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000180457474 527006218 /nfs/dbraw/zinc/00/62/18/527006218.db2.gz ITBRDMHKQXLFNS-GFCCVEGCSA-N 0 3 308.447 3.223 10 30 DGEEHN C=C[C@H](CC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000135654812 527572671 /nfs/dbraw/zinc/57/26/71/527572671.db2.gz AYEBZEPXHQIAJQ-LZLYRXPVSA-N 0 3 300.446 3.287 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)c1cscc1C#N)C(C)C ZINC000340302946 527650009 /nfs/dbraw/zinc/65/00/09/527650009.db2.gz RNHBXZQYSQKLKR-MRXNPFEDSA-N 0 3 317.458 3.048 10 30 DGEEHN C=CCOc1ccc(CN(C)[C@H]2CCCc3c2cnn3C)cc1 ZINC000093863689 545857992 /nfs/dbraw/zinc/85/79/92/545857992.db2.gz GUQVRSSPKNPMAO-SFHVURJKSA-N 0 3 311.429 3.494 10 30 DGEEHN C=CCOc1cccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000129353627 545941358 /nfs/dbraw/zinc/94/13/58/545941358.db2.gz ROZKPNQRZGHJGI-MJGOQNOKSA-N 0 3 301.430 3.378 10 30 DGEEHN CCC(C#N)(CC)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000390796836 546755124 /nfs/dbraw/zinc/75/51/24/546755124.db2.gz KFPFTLJGWKYBPS-QGZVFWFLSA-N 0 3 313.445 3.049 10 30 DGEEHN Cc1ccc(N=NC2CCN(Cc3ccccc3)C[C@H]2C)nn1 ZINC000734364890 574658013 /nfs/dbraw/zinc/65/80/13/574658013.db2.gz JSPCHNZPNOPEOP-CQSZACIVSA-N 0 3 309.417 3.095 10 30 DGEEHN C#CCSCCNc1cc(C)nc2ccc(OC(F)F)cc21 ZINC000740869406 574944064 /nfs/dbraw/zinc/94/40/64/574944064.db2.gz PRHCGSYPSSJJFS-UHFFFAOYSA-N 0 3 322.380 3.345 10 30 DGEEHN COc1ccc(CN[C@H]2C[C@H](OCC(C)C)C2(C)C)cc1C#N ZINC000742372147 574993381 /nfs/dbraw/zinc/99/33/81/574993381.db2.gz SMMHCFRFWQLLBJ-ROUUACIJSA-N 0 3 316.445 3.496 10 30 DGEEHN C#CCOc1ccccc1CN1CCC[C@H](n2ccnc2CC)C1 ZINC000122916876 622428756 /nfs/dbraw/zinc/42/87/56/622428756.db2.gz IRUVKSZRCJCVKS-SFHVURJKSA-N 0 3 323.440 3.295 10 30 DGEEHN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)N[C@H]1CCC[C@@H]1C#N ZINC000299984117 656230701 /nfs/dbraw/zinc/23/07/01/656230701.db2.gz GODSWTNKNSVMMI-WCVJEAGWSA-N 0 3 321.465 3.446 10 30 DGEEHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2C#N)C1 ZINC000299986139 656231298 /nfs/dbraw/zinc/23/12/98/656231298.db2.gz LMPYSHSFIAPEMV-BYNSBNAKSA-N 0 3 307.438 3.104 10 30 DGEEHN CC(C)CN1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000228703189 1201178757 /nfs/dbraw/zinc/17/87/57/1201178757.db2.gz MBZWJCTWUZZDOM-UHFFFAOYSA-N 0 3 322.250 3.099 10 30 DGEEHN C=CCOc1cccc(CN[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000236686680 1202620862 /nfs/dbraw/zinc/62/08/62/1202620862.db2.gz HDOFTBQAKYPUIJ-KRWDZBQOSA-N 0 3 322.408 3.147 10 30 DGEEHN CCc1nccn1[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000160003091 529761484 /nfs/dbraw/zinc/76/14/84/529761484.db2.gz HGCWISOXSICKQQ-SFHVURJKSA-N 0 3 311.404 3.273 10 30 DGEEHN C#CCCOc1ccc(CNCc2ccc(CO)c(F)c2)cc1 ZINC000172115508 198041487 /nfs/dbraw/zinc/04/14/87/198041487.db2.gz IINVSAXSQJMGNS-UHFFFAOYSA-N 0 3 313.372 3.010 10 30 DGEEHN CN(Cc1ccccn1)[C@H]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000275482056 212363494 /nfs/dbraw/zinc/36/34/94/212363494.db2.gz BAVJGQJEOJPNOA-IBGZPJMESA-N 0 3 320.440 3.444 10 30 DGEEHN C=CCC[C@H](CO)NCc1ccc(-c2ccncc2)cc1F ZINC000449698617 240375943 /nfs/dbraw/zinc/37/59/43/240375943.db2.gz OGRIGGPUMSTQCQ-QGZVFWFLSA-N 0 3 300.377 3.304 10 30 DGEEHN N#CCCOCCN1CCC(Cc2cccc(F)c2F)CC1 ZINC000451955109 241283414 /nfs/dbraw/zinc/28/34/14/241283414.db2.gz CRPMSFNGCMYPNZ-UHFFFAOYSA-N 0 3 308.372 3.150 10 30 DGEEHN C=CCCc1ccccc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000455384110 242185832 /nfs/dbraw/zinc/18/58/32/242185832.db2.gz NWIFBHHDIQQQNL-IBGZPJMESA-N 0 3 313.445 3.365 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C(C)C ZINC000469502397 244108668 /nfs/dbraw/zinc/10/86/68/244108668.db2.gz XTTHBKPATZKLGP-XDNAFOTISA-N 0 3 304.478 3.237 10 30 DGEEHN C#CCCOc1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000264963759 204308460 /nfs/dbraw/zinc/30/84/60/204308460.db2.gz PAINSWWWCUMBOW-GOSISDBHSA-N 0 3 322.408 3.357 10 30 DGEEHN N#Cc1cccc(O[C@H](CN)c2ccc(Br)cc2)c1 ZINC000042957575 183323639 /nfs/dbraw/zinc/32/36/39/183323639.db2.gz FMLSTTDGNUBLQI-OAHLLOKOSA-N 0 3 317.186 3.400 10 30 DGEEHN Cc1cc(C#N)cc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)n1 ZINC000342822945 254059484 /nfs/dbraw/zinc/05/94/84/254059484.db2.gz GGWDBKLXCIKBEE-QGZVFWFLSA-N 0 3 320.440 3.363 10 30 DGEEHN Cc1cc(C#N)cc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000342847043 254064462 /nfs/dbraw/zinc/06/44/62/254064462.db2.gz GOPWYIAZNCTMBL-KBXCAEBGSA-N 0 3 306.413 3.194 10 30 DGEEHN CC(C)C(C#N)C(=O)c1sccc1I ZINC000306207648 400124264 /nfs/dbraw/zinc/12/42/64/400124264.db2.gz QYWNLLGBUDIBFN-ZETCQYMHSA-N 0 3 319.167 3.331 10 30 DGEEHN CC(C)(C#N)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601729751 400341414 /nfs/dbraw/zinc/34/14/14/400341414.db2.gz YFVBOWHMYONGAC-QGZVFWFLSA-N 0 3 313.445 3.097 10 30 DGEEHN CC(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000070786486 400356780 /nfs/dbraw/zinc/35/67/80/400356780.db2.gz DCTNHDFWKSPJJZ-CABCVRRESA-N 0 3 301.434 3.221 10 30 DGEEHN CC(C)c1ccc([C@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000042979349 400448516 /nfs/dbraw/zinc/44/85/16/400448516.db2.gz AGVHZVAWUUMLLL-IFXJQAMLSA-N 0 3 313.445 3.269 10 30 DGEEHN C[C@@]1(C#N)CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000612371134 400533382 /nfs/dbraw/zinc/53/33/82/400533382.db2.gz YXEMBMJKSOSBRC-IBGZPJMESA-N 0 3 311.429 3.048 10 30 DGEEHN C=CC(C)(C)CCNCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602720437 400550902 /nfs/dbraw/zinc/55/09/02/400550902.db2.gz GPWBRPVEGLHWQP-UHFFFAOYSA-N 0 3 307.438 3.067 10 30 DGEEHN C=CCN1CCC(NC(=O)NCC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000604652375 400792671 /nfs/dbraw/zinc/79/26/71/400792671.db2.gz JTHROJOUYORSLS-HOTGVXAUSA-N 0 3 307.482 3.152 10 30 DGEEHN Cn1nccc1[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000619200292 400798407 /nfs/dbraw/zinc/79/84/07/400798407.db2.gz QJJKNDYVKLKRGF-GOEBONIOSA-N 0 3 312.392 3.247 10 30 DGEEHN C=CC[C@H](C(=O)NCCN1CCCC[C@@H]1C)c1ccccc1 ZINC000188264710 400908183 /nfs/dbraw/zinc/90/81/83/400908183.db2.gz XULBDEHEXCZFMA-WMZOPIPTSA-N 0 3 300.446 3.337 10 30 DGEEHN Cc1cc(Br)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594428239 401064419 /nfs/dbraw/zinc/06/44/19/401064419.db2.gz XHWYPJIJFXHWJK-LBPRGKRZSA-N 0 3 324.222 3.107 10 30 DGEEHN N#CCCCC[C@H](N)C(=O)NCc1cccc(Cl)c1Cl ZINC000594430344 401066237 /nfs/dbraw/zinc/06/62/37/401066237.db2.gz ZUGJTXZELVAYMC-LBPRGKRZSA-N 0 3 314.216 3.021 10 30 DGEEHN CC#CCN1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000625658697 401177974 /nfs/dbraw/zinc/17/79/74/401177974.db2.gz FCFZPEKGKAAWSE-UHFFFAOYSA-N 0 3 301.434 3.395 10 30 DGEEHN C=CC[C@@H]1CCN(Cc2cn3cc(Br)ccc3n2)C1 ZINC000625703560 401188446 /nfs/dbraw/zinc/18/84/46/401188446.db2.gz NATHSESMLMVROI-GFCCVEGCSA-N 0 3 320.234 3.495 10 30 DGEEHN C=CC[C@@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000600184918 401212430 /nfs/dbraw/zinc/21/24/30/401212430.db2.gz IQGYPQQPQGVQPG-GFCCVEGCSA-N 0 3 306.362 3.010 10 30 DGEEHN C=CC[C@@H]1CCN(CC(=O)N(C)Cc2ccc(SC)cc2)C1 ZINC000625703983 401188142 /nfs/dbraw/zinc/18/81/42/401188142.db2.gz QIZYIYJJMWIUKE-OAHLLOKOSA-N 0 3 318.486 3.265 10 30 DGEEHN C=C1CC(C)(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000630578565 401291061 /nfs/dbraw/zinc/29/10/61/401291061.db2.gz JQUYVGZKODHLKB-CQSZACIVSA-N 0 3 304.459 3.358 10 30 DGEEHN C=CCCn1cc(CNCC2CCc3ccccc3CC2)nn1 ZINC000623593513 401552032 /nfs/dbraw/zinc/55/20/32/401552032.db2.gz OYELPZPQOCGJSQ-UHFFFAOYSA-N 0 3 310.445 3.139 10 30 DGEEHN C=CCOc1ccc(CNC[C@@H]2Cc3ccccc3CO2)cc1 ZINC000623601864 401553937 /nfs/dbraw/zinc/55/39/37/401553937.db2.gz STBLVDWLCCYJME-FQEVSTJZSA-N 0 3 309.409 3.483 10 30 DGEEHN Cc1c(C#N)cccc1NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000178539813 228343213 /nfs/dbraw/zinc/34/32/13/228343213.db2.gz SVTADZSIZLSLDN-SFHVURJKSA-N 0 3 322.412 3.291 10 30 DGEEHN C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358580488 270003975 /nfs/dbraw/zinc/00/39/75/270003975.db2.gz XYFUVJMDMOUBSX-BLLLJJGKSA-N 0 3 316.351 3.091 10 30 DGEEHN C[C@H](NCCN1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000358551791 267181960 /nfs/dbraw/zinc/18/19/60/267181960.db2.gz BQEDNLKGQRPRJP-HNNXBMFYSA-N 0 3 323.415 3.406 10 30 DGEEHN C[C@H](NC[C@@H](c1ccco1)N(C)C)c1ccc(C#N)cc1F ZINC000358577807 267183736 /nfs/dbraw/zinc/18/37/36/267183736.db2.gz VGYDPMMXWSZCFI-LRDDRELGSA-N 0 3 301.365 3.244 10 30 DGEEHN C[C@]1(CNc2cccnc2C#N)CCCN1Cc1ccccc1 ZINC000357434167 267262487 /nfs/dbraw/zinc/26/24/87/267262487.db2.gz CDNLOSSBCPSGBP-LJQANCHMSA-N 0 3 306.413 3.420 10 30 DGEEHN Cc1c([C@H](C)NCCOc2ccc(C#N)cc2)cnn1C(C)C ZINC000191372955 432257190 /nfs/dbraw/zinc/25/71/90/432257190.db2.gz SODJWOYVVMVIBT-AWEZNQCLSA-N 0 3 312.417 3.374 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1NCc1sc(C)nc1C(F)(F)F ZINC000451684905 275436957 /nfs/dbraw/zinc/43/69/57/275436957.db2.gz WOIGBHYRBPEMHO-ZJUUUORDSA-N 0 3 306.353 3.294 10 30 DGEEHN C[C@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)C(=O)N(C)CCC#N ZINC000112532009 431282458 /nfs/dbraw/zinc/28/24/58/431282458.db2.gz XNFMGBNQTLBIOK-GJZGRUSLSA-N 0 3 315.461 3.395 10 30 DGEEHN C=CCOc1cccc(CN2CCC(Nc3cccnn3)CC2)c1 ZINC000120291373 431724015 /nfs/dbraw/zinc/72/40/15/431724015.db2.gz DSFPVLHJBBBACJ-UHFFFAOYSA-N 0 3 324.428 3.118 10 30 DGEEHN CCCN(Cc1ccc(C#N)cc1OC)C[C@@H]1CCCCO1 ZINC000121390808 431781133 /nfs/dbraw/zinc/78/11/33/431781133.db2.gz FSGFMTYHIBFTJB-KRWDZBQOSA-N 0 3 302.418 3.348 10 30 DGEEHN CCc1nccn1[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000122928877 431848522 /nfs/dbraw/zinc/84/85/22/431848522.db2.gz MPZWGKUFYYTMEH-CYBMUJFWSA-N 0 3 300.431 3.216 10 30 DGEEHN C#CCCOc1ccc(CN2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000123052391 431853250 /nfs/dbraw/zinc/85/32/50/431853250.db2.gz MRMXIXGZHHRQKD-IBGZPJMESA-N 0 3 323.440 3.431 10 30 DGEEHN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000041480269 431859678 /nfs/dbraw/zinc/85/96/78/431859678.db2.gz MXVNDKLQZSJNPN-KCXAZCMYSA-N 0 3 319.364 3.166 10 30 DGEEHN CCc1ccc([C@H]2CCCCN2CCC(=O)N(C)CCC#N)o1 ZINC000092797751 431912296 /nfs/dbraw/zinc/91/22/96/431912296.db2.gz BFHHLPNSQOQWPH-MRXNPFEDSA-N 0 3 317.433 3.131 10 30 DGEEHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000248880896 432325782 /nfs/dbraw/zinc/32/57/82/432325782.db2.gz DEXQGYPYZAAZDF-WMLDXEAASA-N 0 3 321.428 3.425 10 30 DGEEHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248639274 432310671 /nfs/dbraw/zinc/31/06/71/432310671.db2.gz WQWMNUDDAVMGJQ-HKUYNNGSSA-N 0 3 312.457 3.349 10 30 DGEEHN C=CCOc1cccc(CNCCOc2ccc(C#N)cc2)c1 ZINC000174558114 432357234 /nfs/dbraw/zinc/35/72/34/432357234.db2.gz IQPMWTAFTULFQC-UHFFFAOYSA-N 0 3 308.381 3.292 10 30 DGEEHN Cc1ccc(-c2n[nH]cc2CNCCOc2ccc(C#N)cc2)o1 ZINC000174561746 432357425 /nfs/dbraw/zinc/35/74/25/432357425.db2.gz URWMZOPPIURJDE-UHFFFAOYSA-N 0 3 322.368 3.018 10 30 DGEEHN C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1CCCC1 ZINC000184653623 432418108 /nfs/dbraw/zinc/41/81/08/432418108.db2.gz WZSSUGTZSJAHSE-NSHDSACASA-N 0 3 305.809 3.318 10 30 DGEEHN C=CCOCCN[C@@H]1CCOc2c(Br)cccc21 ZINC000272529269 432517719 /nfs/dbraw/zinc/51/77/19/432517719.db2.gz JBGGWXCDNAMGEF-CYBMUJFWSA-N 0 3 312.207 3.065 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000185838073 432538582 /nfs/dbraw/zinc/53/85/82/432538582.db2.gz ANBCEPVDQXVDGK-JZXOWHBKSA-N 0 3 300.446 3.368 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000185863682 432539364 /nfs/dbraw/zinc/53/93/64/432539364.db2.gz NPAOBQPIOIHSLO-OAHLLOKOSA-N 0 3 304.434 3.476 10 30 DGEEHN C=C(C)[C@H](NC[C@@H](O)COCCCC)c1ccc(F)c(F)c1 ZINC000195219721 432613194 /nfs/dbraw/zinc/61/31/94/432613194.db2.gz CMQDATWUIGHLRF-PBHICJAKSA-N 0 3 313.388 3.349 10 30 DGEEHN C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000187545106 432669492 /nfs/dbraw/zinc/66/94/92/432669492.db2.gz YUAFKSRXAZVGTR-CMPLNLGQSA-N 0 3 314.223 3.051 10 30 DGEEHN C=CCOc1ccc(CNC[C@@H]2CCC(C)(C)O2)cc1OC ZINC000189717060 432812639 /nfs/dbraw/zinc/81/26/39/432812639.db2.gz NIYVVKSSQRJJNA-HNNXBMFYSA-N 0 3 305.418 3.307 10 30 DGEEHN CN1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000245690493 432856932 /nfs/dbraw/zinc/85/69/32/432856932.db2.gz XCKQUONYEJDWKU-ZWKOTPCHSA-N 0 3 320.396 3.125 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000330269143 432900884 /nfs/dbraw/zinc/90/08/84/432900884.db2.gz RSLNMWACECQGSQ-DYQSUWPFSA-N 0 3 310.344 3.098 10 30 DGEEHN Cc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)c(C)c1 ZINC000330271698 432901311 /nfs/dbraw/zinc/90/13/11/432901311.db2.gz WIDCWWBNHQJZDE-RRQGHBQHSA-N 0 3 302.418 3.437 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(Cl)c1 ZINC000330273265 432901578 /nfs/dbraw/zinc/90/15/78/432901578.db2.gz YXOKGTWRWOZXRM-NZVBXONLSA-N 0 3 308.809 3.474 10 30 DGEEHN C=C(C)CN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000374788418 433278951 /nfs/dbraw/zinc/27/89/51/433278951.db2.gz OIZUVUWNBIDCBC-MRXNPFEDSA-N 0 3 324.428 3.418 10 30 DGEEHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1cnc(C#N)cn1 ZINC000375696125 433532008 /nfs/dbraw/zinc/53/20/08/433532008.db2.gz GSDFWODALJDWMX-KRWDZBQOSA-N 0 3 321.428 3.061 10 30 DGEEHN Cc1cc(C#N)cc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)n1 ZINC000342504355 433733470 /nfs/dbraw/zinc/73/34/70/433733470.db2.gz DFIVGHJEEAYFDR-YJBOKZPZSA-N 0 3 306.413 3.337 10 30 DGEEHN Cc1nccn1CCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358560555 434395974 /nfs/dbraw/zinc/39/59/74/434395974.db2.gz FCVHQPUUXMIZBQ-ZDUSSCGKSA-N 0 3 300.381 3.333 10 30 DGEEHN C[C@@H](CN1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358555411 434396612 /nfs/dbraw/zinc/39/66/12/434396612.db2.gz KYGNYSGTEYSUEM-ILXRZTDVSA-N 0 3 303.425 3.468 10 30 DGEEHN C[C@@H](NCCCOCC1CCOCC1)c1ccc(C#N)cc1F ZINC000358568153 434398935 /nfs/dbraw/zinc/39/89/35/434398935.db2.gz FNBTVEKSPCQUHC-CQSZACIVSA-N 0 3 320.408 3.181 10 30 DGEEHN C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000358949496 434408779 /nfs/dbraw/zinc/40/87/79/434408779.db2.gz HGLAVISDFJGZOZ-GOEBONIOSA-N 0 3 317.481 3.041 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)CC1 ZINC000368084845 434566388 /nfs/dbraw/zinc/56/63/88/434566388.db2.gz HXFLIONPNVDLOJ-QFBILLFUSA-N 0 3 319.493 3.249 10 30 DGEEHN C=CCN1CC[C@@H](N(C)[C@H](c2ccccc2C)C(C)C)C1=O ZINC000410394063 434646282 /nfs/dbraw/zinc/64/62/82/434646282.db2.gz TZPPBDMUKKUOPA-MSOLQXFVSA-N 0 3 300.446 3.411 10 30 DGEEHN C=CCC1(C(=O)Nc2ccccc2CCN(C)C)CCOCC1 ZINC000424798604 434805097 /nfs/dbraw/zinc/80/50/97/434805097.db2.gz ITRLHOVXKHOKIR-UHFFFAOYSA-N 0 3 316.445 3.102 10 30 DGEEHN C=CCOc1ccc(CN(C)[C@H](CO)CC(C)C)cc1OC ZINC000558423214 435087958 /nfs/dbraw/zinc/08/79/58/435087958.db2.gz IIFCJCGLINZKAB-INIZCTEOSA-N 0 3 307.434 3.099 10 30 DGEEHN C=CCCCN(C)CC(=O)NCCc1c(C)cc(C)cc1C ZINC000531650498 435108078 /nfs/dbraw/zinc/10/80/78/435108078.db2.gz DVHOBJJABUXATE-UHFFFAOYSA-N 0 3 302.462 3.169 10 30 DGEEHN C=C[C@@H](CC(=O)NCCN1CCCC[C@H]1C)c1ccccc1 ZINC000533924530 435260760 /nfs/dbraw/zinc/26/07/60/435260760.db2.gz ABNMOKYNDOGEMF-SJORKVTESA-N 0 3 300.446 3.337 10 30 DGEEHN CCN1CCN(c2ccccc2N[C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185732684 333212969 /nfs/dbraw/zinc/21/29/69/333212969.db2.gz IMSXDYPJGHFJCP-DLBZAZTESA-N 0 3 312.461 3.323 10 30 DGEEHN C=CCCC[C@H](C)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000538364781 340819458 /nfs/dbraw/zinc/81/94/58/340819458.db2.gz JOHSYAOUTCMDSK-FUHWJXTLSA-N 0 3 317.477 3.203 10 30 DGEEHN C=CCCC[C@@H](C)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000539198960 340875837 /nfs/dbraw/zinc/87/58/37/340875837.db2.gz XVGWUIYPFWWLOT-OAHLLOKOSA-N 0 3 320.481 3.230 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2Cc3ccccc3[C@@H]2C)CC1 ZINC000543972442 341064690 /nfs/dbraw/zinc/06/46/90/341064690.db2.gz VTJJFSHSEBNZQV-HNNXBMFYSA-N 0 3 313.445 3.313 10 30 DGEEHN C=CCOc1cccc(CNCc2ccc(C(=O)OC)cc2)c1 ZINC000574122022 341749208 /nfs/dbraw/zinc/74/92/08/341749208.db2.gz ZCQLTPRXHPWLEW-UHFFFAOYSA-N 0 3 311.381 3.328 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCC[C@H]1OC)C(C)C ZINC000576016242 341820403 /nfs/dbraw/zinc/82/04/03/341820403.db2.gz OGGWCSAPDRRIEL-KZNAEPCWSA-N 0 3 322.493 3.006 10 30 DGEEHN C=C(CC)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494277500 534420092 /nfs/dbraw/zinc/42/00/92/534420092.db2.gz RNYJVHMLFMNMEC-ZBFHGGJFSA-N 0 3 310.800 3.307 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(-c2ccncc2)s1 ZINC000449548870 534575850 /nfs/dbraw/zinc/57/58/50/534575850.db2.gz RLXOIEDGFSQHRM-CABCVRRESA-N 0 3 301.415 3.028 10 30 DGEEHN C=CCC1(CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000459054255 534598761 /nfs/dbraw/zinc/59/87/61/534598761.db2.gz SPJKFRCWGMWKFZ-CVEARBPZSA-N 0 3 307.482 3.247 10 30 DGEEHN C=CC[C@@H](C)NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000488921564 534885514 /nfs/dbraw/zinc/88/55/14/534885514.db2.gz ROIBBPSMBPSZQB-APWZRJJASA-N 0 3 315.461 3.305 10 30 DGEEHN CC#CCCN1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000360485320 526308862 /nfs/dbraw/zinc/30/88/62/526308862.db2.gz BRILJHVQVVSASZ-XLIONFOSSA-N 0 3 313.489 3.336 10 30 DGEEHN C=CCN(Cc1ccc(C(=O)OC)cn1)CC1CCCCC1 ZINC000352013526 526332408 /nfs/dbraw/zinc/33/24/08/526332408.db2.gz JKBXLUHLTGFOFW-UHFFFAOYSA-N 0 3 302.418 3.437 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000341483286 526692328 /nfs/dbraw/zinc/69/23/28/526692328.db2.gz KBDYQNXKSCBCAO-SJLPKXTDSA-N 0 3 300.446 3.322 10 30 DGEEHN C=CC[C@@H](CO)CNCc1ccc(-c2ccncc2)cc1F ZINC000341288630 527077597 /nfs/dbraw/zinc/07/75/97/527077597.db2.gz DYDJGYKQYRUDPI-CQSZACIVSA-N 0 3 300.377 3.162 10 30 DGEEHN C=CCCC[C@H](C)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000340944644 527275387 /nfs/dbraw/zinc/27/53/87/527275387.db2.gz AXSWEFNMAZAYPC-AWEZNQCLSA-N 0 3 322.474 3.161 10 30 DGEEHN CC[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000184052523 529153761 /nfs/dbraw/zinc/15/37/61/529153761.db2.gz IZXQJXBSHOTWAE-CYBMUJFWSA-N 0 3 305.447 3.131 10 30 DGEEHN COc1cccc2c1CCN(CCOc1ccccc1C#N)CC2 ZINC000489481819 536941973 /nfs/dbraw/zinc/94/19/73/536941973.db2.gz NKDQDQDKVLHDQH-UHFFFAOYSA-N 0 3 322.408 3.046 10 30 DGEEHN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc(-n2cncn2)cc1 ZINC000181878406 546161993 /nfs/dbraw/zinc/16/19/93/546161993.db2.gz QDXDECGPFQBEAM-HNNXBMFYSA-N 0 3 320.371 3.109 10 30 DGEEHN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594426742 547032162 /nfs/dbraw/zinc/03/21/62/547032162.db2.gz RWNUJTHFNLDRLE-DOTOQJQBSA-N 0 3 301.434 3.225 10 30 DGEEHN CC(C)CN1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735306261 574696566 /nfs/dbraw/zinc/69/65/66/574696566.db2.gz LFGDIYINUJDQJY-UHFFFAOYSA-N 0 3 321.852 3.016 10 30 DGEEHN CC(C)(C)CN(CCCO)Cc1cc(Cl)ccc1OCC#N ZINC000735309626 574696845 /nfs/dbraw/zinc/69/68/45/574696845.db2.gz QPHHZTRRMHUTFF-UHFFFAOYSA-N 0 3 324.852 3.473 10 30 DGEEHN C#CCSCCNCc1ccccc1OCC(F)(F)F ZINC000742372327 574993621 /nfs/dbraw/zinc/99/36/21/574993621.db2.gz WRCWSFIXEIEUSL-UHFFFAOYSA-N 0 3 303.349 3.084 10 30 DGEEHN C=CCOc1ccc(CNC[C@](C)(O)c2cc(C)oc2C)cc1 ZINC000742374298 574993638 /nfs/dbraw/zinc/99/36/38/574993638.db2.gz MKRQCGPPKOLDTG-IBGZPJMESA-N 0 3 315.413 3.459 10 30 DGEEHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H](C)SC ZINC000728766877 576199560 /nfs/dbraw/zinc/19/95/60/576199560.db2.gz OFZYDIDWYPBLRL-BXUZGUMPSA-N 0 3 318.442 3.210 10 30 DGEEHN C#CCC(C)(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000185303584 660214468 /nfs/dbraw/zinc/21/44/68/660214468.db2.gz ZWNKCRTVTNPRED-GOSISDBHSA-N 0 3 312.457 3.207 10 30 DGEEHN CCc1oc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)cc1C ZINC000162412430 656144398 /nfs/dbraw/zinc/14/43/98/656144398.db2.gz APWCBMGYCIMTDL-CQSZACIVSA-N 0 3 310.353 3.420 10 30 DGEEHN C#CC[C@H](COC)NCc1ccc(Br)c(Cl)c1 ZINC000716936229 661234316 /nfs/dbraw/zinc/23/43/16/661234316.db2.gz RZJJENJLUAMXBL-LLVKDONJSA-N 0 3 316.626 3.230 10 30 DGEEHN C#CC[C@@H](COC)NCc1cccc(OCc2ccccc2)c1 ZINC000716959026 661235536 /nfs/dbraw/zinc/23/55/36/661235536.db2.gz WLYDKUPJMMDUPE-IBGZPJMESA-N 0 3 309.409 3.394 10 30 DGEEHN C=CCOc1ccccc1CNC[C@H](O)c1ccc(F)cc1 ZINC000075734941 661945340 /nfs/dbraw/zinc/94/53/40/661945340.db2.gz LZAJNOFTYPFVSS-KRWDZBQOSA-N 0 3 301.361 3.214 10 30 DGEEHN C[C@H](NCC#Cc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000192151881 662088963 /nfs/dbraw/zinc/08/89/63/662088963.db2.gz LUVWXZWUSJHQFY-HNNXBMFYSA-N 0 3 304.393 3.274 10 30 DGEEHN Cc1nc2c(s1)[C@@H](NCCOc1ccc(C#N)cc1)CCC2 ZINC000090106972 185282506 /nfs/dbraw/zinc/28/25/06/185282506.db2.gz LUDVWBZCSJLDRS-HNNXBMFYSA-N 0 3 313.426 3.369 10 30 DGEEHN CN(Cc1ccc(C#N)cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310132886 529984166 /nfs/dbraw/zinc/98/41/66/529984166.db2.gz LAUVHCPIYCZATR-IBGZPJMESA-N 0 3 323.415 3.404 10 30 DGEEHN CCN1CCC[C@@H](Nc2ccc(Br)cc2C#N)C1 ZINC000130435791 432024950 /nfs/dbraw/zinc/02/49/50/432024950.db2.gz UMTHWSOSHMJSJV-CYBMUJFWSA-N 0 3 308.223 3.217 10 30 DGEEHN C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000152496474 186079341 /nfs/dbraw/zinc/07/93/41/186079341.db2.gz VCNUXZFLCCCWOF-HIFRSBDPSA-N 0 3 322.836 3.089 10 30 DGEEHN CCCN(Cc1ccc(C#N)cc1OC)C[C@H]1CCCCO1 ZINC000121390998 283293592 /nfs/dbraw/zinc/29/35/92/283293592.db2.gz FSGFMTYHIBFTJB-QGZVFWFLSA-N 0 3 302.418 3.348 10 30 DGEEHN C=C(C)CN(CC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179463704 199040152 /nfs/dbraw/zinc/04/01/52/199040152.db2.gz OZMLKZDUBITLET-IAGOWNOFSA-N 0 3 301.434 3.039 10 30 DGEEHN N#Cc1cc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1F ZINC000281398203 216272091 /nfs/dbraw/zinc/27/20/91/216272091.db2.gz NHPQDODYGXHJOU-NXHRZFHOSA-N 0 3 302.393 3.213 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458277600 243017500 /nfs/dbraw/zinc/01/75/00/243017500.db2.gz DZPCOTILZQQAHY-CYBMUJFWSA-N 0 3 308.397 3.307 10 30 DGEEHN CC(C)N(CCC#N)[C@H](CN)c1cccc(Br)c1 ZINC000043021804 183329903 /nfs/dbraw/zinc/32/99/03/183329903.db2.gz AJEISTXYWCSVAO-CQSZACIVSA-N 0 3 310.239 3.073 10 30 DGEEHN Cc1cc(C#N)cc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000342792061 254051129 /nfs/dbraw/zinc/05/11/29/254051129.db2.gz SCTOOHGIBFEEQE-LJQANCHMSA-N 0 3 320.440 3.363 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000581888211 400083224 /nfs/dbraw/zinc/08/32/24/400083224.db2.gz VUOYDRDIGGQKKC-APWZRJJASA-N 0 3 300.446 3.370 10 30 DGEEHN Cn1ccnc1C[C@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000610272727 400230355 /nfs/dbraw/zinc/23/03/55/400230355.db2.gz HGCAZYBMWLELMX-IBGZPJMESA-N 0 3 316.408 3.365 10 30 DGEEHN CC[C@H](C#N)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601728977 400341380 /nfs/dbraw/zinc/34/13/80/400341380.db2.gz RXCQCUQZUUUXEB-MSOLQXFVSA-N 0 3 313.445 3.097 10 30 DGEEHN Cn1ccnc1C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000618569934 400625935 /nfs/dbraw/zinc/62/59/35/400625935.db2.gz HXEHDUHMQUULSB-SZMVWBNQSA-N 0 3 308.429 3.376 10 30 DGEEHN COc1ccccc1/C=C/CNCCOc1ccc(C#N)cc1 ZINC000174557807 400859610 /nfs/dbraw/zinc/85/96/10/400859610.db2.gz IVTACNHGGULJPU-GQCTYLIASA-N 0 3 308.381 3.249 10 30 DGEEHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000620304008 401050388 /nfs/dbraw/zinc/05/03/88/401050388.db2.gz MTDJQAYICZESDA-KSZLIROESA-N 0 3 302.462 3.493 10 30 DGEEHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000620312986 401053572 /nfs/dbraw/zinc/05/35/72/401053572.db2.gz SAIYANLLSVAQJM-OTWHNJEPSA-N 0 3 310.441 3.361 10 30 DGEEHN C=CC[C@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000600184919 401212566 /nfs/dbraw/zinc/21/25/66/401212566.db2.gz IQGYPQQPQGVQPG-LBPRGKRZSA-N 0 3 306.362 3.010 10 30 DGEEHN C=CC[C@H]1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000625701679 401186715 /nfs/dbraw/zinc/18/67/15/401186715.db2.gz RGGNAPGGKJNBBP-LBPRGKRZSA-N 0 3 312.866 3.258 10 30 DGEEHN CCN(C[C@@H](O)COC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000065432987 401265592 /nfs/dbraw/zinc/26/55/92/401265592.db2.gz HXKSBTCRYDBXBN-RHSMWYFYSA-N 0 3 304.434 3.117 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000626289447 401335599 /nfs/dbraw/zinc/33/55/99/401335599.db2.gz WEKAECACVMOJHJ-OAHLLOKOSA-N 0 3 317.433 3.057 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000626527124 401370095 /nfs/dbraw/zinc/37/00/95/401370095.db2.gz MZJXHIPRHSCUGC-HNNXBMFYSA-N 0 3 301.434 3.221 10 30 DGEEHN C=C(C)COc1cc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)ccc1OC ZINC000631220682 401430149 /nfs/dbraw/zinc/43/01/49/401430149.db2.gz WIICSVQGJWIMRD-IIAWOOMASA-N 0 3 305.418 3.306 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000623388597 401506411 /nfs/dbraw/zinc/50/64/11/401506411.db2.gz OEMCBTGESNINOB-KRWDZBQOSA-N 0 3 315.461 3.116 10 30 DGEEHN C=CC(C)(C)CCNC(=O)CCN1CCc2ccccc2C1 ZINC000628314182 401574657 /nfs/dbraw/zinc/57/46/57/401574657.db2.gz PJEBHIJPDZMRDA-UHFFFAOYSA-N 0 3 300.446 3.153 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C/C=C\C)C2)CC1 ZINC000623635100 401559511 /nfs/dbraw/zinc/55/95/11/401559511.db2.gz URWAHHVGBKDNSM-OICCZTGUSA-N 0 3 305.466 3.025 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000628486367 401606620 /nfs/dbraw/zinc/60/66/20/401606620.db2.gz HCIXTBUTJINTLM-KRWDZBQOSA-N 0 3 312.457 3.323 10 30 DGEEHN C=CC[C@H](C(=O)NC[C@@H]1CCN1C1CCCC1)c1ccccc1 ZINC000628964731 401651113 /nfs/dbraw/zinc/65/11/13/401651113.db2.gz GVVAHVFMSWECEV-OALUTQOASA-N 0 3 312.457 3.479 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187232204 165082536 /nfs/dbraw/zinc/08/25/36/165082536.db2.gz ZXOXYTQVTUOCFR-KXBFYZLASA-N 0 3 321.424 3.288 10 30 DGEEHN N#Cc1ccc(OCCNCc2cc(F)cc3cccnc32)cc1 ZINC000150846785 432197075 /nfs/dbraw/zinc/19/70/75/432197075.db2.gz OUXRJUQZYAEFDQ-UHFFFAOYSA-N 0 3 321.355 3.414 10 30 DGEEHN Cn1cc([C@H]2CCN(Cc3cccc(OCCCC#N)c3)C2)cn1 ZINC000128419826 227008654 /nfs/dbraw/zinc/00/86/54/227008654.db2.gz JEZBVZKZNXAVHN-KRWDZBQOSA-N 0 3 324.428 3.092 10 30 DGEEHN N#Cc1ccnc(NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC000376389196 268297001 /nfs/dbraw/zinc/29/70/01/268297001.db2.gz ZWQDHKXDKFJHOT-UHFFFAOYSA-N 0 3 324.350 3.170 10 30 DGEEHN C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415971926 276923729 /nfs/dbraw/zinc/92/37/29/276923729.db2.gz KLOKLPUZSFMHJB-ZDUSSCGKSA-N 0 3 303.381 3.044 10 30 DGEEHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H]2c2ccco2)c1 ZINC000116288758 431500428 /nfs/dbraw/zinc/50/04/28/431500428.db2.gz CSPGVDZJTGHFJR-MRXNPFEDSA-N 0 3 309.369 3.317 10 30 DGEEHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N(C)c2cccnn2)CC1 ZINC000118397972 431602368 /nfs/dbraw/zinc/60/23/68/431602368.db2.gz OAINVXBBWLQKBU-HNNXBMFYSA-N 0 3 321.428 3.010 10 30 DGEEHN COc1cc(C#N)ccc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000121053616 431741944 /nfs/dbraw/zinc/74/19/44/431741944.db2.gz FRCBHWWAXXDNMF-SFHVURJKSA-N 0 3 314.429 3.490 10 30 DGEEHN C=CCOc1ccccc1CN1CCC(OCCCOC)CC1 ZINC000093561414 431915865 /nfs/dbraw/zinc/91/58/65/431915865.db2.gz OBSWRXTYLNLOKZ-UHFFFAOYSA-N 0 3 319.445 3.269 10 30 DGEEHN N#CC(C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccccn1 ZINC000125477314 431926566 /nfs/dbraw/zinc/92/65/66/431926566.db2.gz PIEMVOMYIQWLHP-OAHLLOKOSA-N 0 3 322.755 3.411 10 30 DGEEHN CC(C)COC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000054322169 431969381 /nfs/dbraw/zinc/96/93/81/431969381.db2.gz UHEOVWRUSJCSEB-UHFFFAOYSA-N 0 3 302.418 3.074 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000151943323 432290777 /nfs/dbraw/zinc/29/07/77/432290777.db2.gz LDPAGDXCAPWVMX-OAHLLOKOSA-N 0 3 321.490 3.493 10 30 DGEEHN CN(CCN(C)Cc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000173190663 432262903 /nfs/dbraw/zinc/26/29/03/432262903.db2.gz NMTYVZBWCUBPSK-UHFFFAOYSA-N 0 3 311.404 3.261 10 30 DGEEHN C=C[C@@H](CC(=O)N(C)C[C@H]1CCCN1CC)c1ccccc1 ZINC000252801403 432389013 /nfs/dbraw/zinc/38/90/13/432389013.db2.gz JLODSMFXIKDROA-FUHWJXTLSA-N 0 3 300.446 3.289 10 30 DGEEHN Cc1cccc(O[C@@H](C)CNCc2cnc3ccc(C#N)cn23)c1 ZINC000174571446 432359213 /nfs/dbraw/zinc/35/92/13/432359213.db2.gz UAOZQKYHHTWGLN-HNNXBMFYSA-N 0 3 320.396 3.072 10 30 DGEEHN CCO[C@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)C12CCCC2 ZINC000174654252 432360997 /nfs/dbraw/zinc/36/09/97/432360997.db2.gz IQRXXKODFZDRNP-SJORKVTESA-N 0 3 324.428 3.033 10 30 DGEEHN CC#CCCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000185303612 432488663 /nfs/dbraw/zinc/48/86/63/432488663.db2.gz DXZUJTIVUGGMQD-IBGZPJMESA-N 0 3 312.457 3.351 10 30 DGEEHN C=CCCCCCN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000193336026 432466773 /nfs/dbraw/zinc/46/67/73/432466773.db2.gz PAJZJJPCUPGCKT-IBGZPJMESA-N 0 3 302.462 3.084 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000185838133 432537529 /nfs/dbraw/zinc/53/75/29/432537529.db2.gz ANBCEPVDQXVDGK-XYJFISCASA-N 0 3 300.446 3.368 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160022345 432704371 /nfs/dbraw/zinc/70/43/71/432704371.db2.gz AORWMRQMIXZXBM-WMZOPIPTSA-N 0 3 315.461 3.257 10 30 DGEEHN C=CC[C@H](C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000188225166 432713020 /nfs/dbraw/zinc/71/30/20/432713020.db2.gz UYPRYXQTSFBOIN-SZMVWBNQSA-N 0 3 300.446 3.287 10 30 DGEEHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178659126 432763601 /nfs/dbraw/zinc/76/36/01/432763601.db2.gz ZPKZGRDDUDFNSG-ZDUSSCGKSA-N 0 3 311.341 3.196 10 30 DGEEHN Cc1cnn([C@@H]2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000245770243 432861967 /nfs/dbraw/zinc/86/19/67/432861967.db2.gz ROMXXRKEXKTKDV-SJLPKXTDSA-N 0 3 324.428 3.320 10 30 DGEEHN C=CCN1CCC(NC(=O)Nc2ccc(C3CCC3)cn2)CC1 ZINC000296928746 432939824 /nfs/dbraw/zinc/93/98/24/432939824.db2.gz ITQKVYNDYHUQMT-UHFFFAOYSA-N 0 3 314.433 3.121 10 30 DGEEHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330199409 432897384 /nfs/dbraw/zinc/89/73/84/432897384.db2.gz VJRFKCJWMPZIPR-KLHDSHLOSA-N 0 3 318.465 3.162 10 30 DGEEHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH+]=C([O-])N[C@@H]1CCn2ccnc2C1 ZINC000330199409 432897386 /nfs/dbraw/zinc/89/73/86/432897386.db2.gz VJRFKCJWMPZIPR-KLHDSHLOSA-N 0 3 318.465 3.162 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000330242014 432899806 /nfs/dbraw/zinc/89/98/06/432899806.db2.gz FYNJMVBGRQAPRB-LNHVQRHZSA-N 0 3 310.344 3.098 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000425601703 433317778 /nfs/dbraw/zinc/31/77/78/433317778.db2.gz GUWDNWAQJICMMA-NVXWUHKLSA-N 0 3 300.446 3.498 10 30 DGEEHN C=CCCN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374826889 433286100 /nfs/dbraw/zinc/28/61/00/433286100.db2.gz ZCKOUQNQTHNNRV-OAHLLOKOSA-N 0 3 316.449 3.294 10 30 DGEEHN C=CCCCNC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000447968605 433336385 /nfs/dbraw/zinc/33/63/85/433336385.db2.gz QPYRDZFEQFNSFQ-GOSISDBHSA-N 0 3 315.461 3.089 10 30 DGEEHN C=CCN1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291896409 433385266 /nfs/dbraw/zinc/38/52/66/433385266.db2.gz JXPSURNPZDTZJX-UHFFFAOYSA-N 0 3 312.373 3.205 10 30 DGEEHN C=CCCCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000351639587 433633650 /nfs/dbraw/zinc/63/36/50/433633650.db2.gz QJJWVOCARZNDRY-IRXDYDNUSA-N 0 3 301.434 3.087 10 30 DGEEHN C=CCn1c(C)nnc1S[C@H]1CCN(Cc2ccccc2)C1 ZINC000283025757 433646452 /nfs/dbraw/zinc/64/64/52/433646452.db2.gz MMOTUOJFALNVTP-INIZCTEOSA-N 0 3 314.458 3.139 10 30 DGEEHN CN1CCC[C@@H](CNC(=O)CC(C)(C)C#N)[C@H]1c1cccs1 ZINC000377461797 433884042 /nfs/dbraw/zinc/88/40/42/433884042.db2.gz BNCMIKUIRUGTRS-BBRMVZONSA-N 0 3 319.474 3.187 10 30 DGEEHN C=CC[C@H](CC)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000346178570 434175884 /nfs/dbraw/zinc/17/58/84/434175884.db2.gz QINSWFLEOJZXFQ-ULQDDVLXSA-N 0 3 301.434 3.086 10 30 DGEEHN C=CCC[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1)c1ccco1 ZINC000364970333 434285581 /nfs/dbraw/zinc/28/55/81/434285581.db2.gz KOTMQBTXKIMGGW-DOTOQJQBSA-N 0 3 314.433 3.279 10 30 DGEEHN CC(=O)Nc1ccn([C@@H]2CCN(C/C=C/c3ccccc3)C2)n1 ZINC000328630818 434290440 /nfs/dbraw/zinc/29/04/40/434290440.db2.gz QFVBNQGZOXERBY-ZGRWHYIRSA-N 0 3 310.401 3.451 10 30 DGEEHN CCCCO[C@H](C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328622567 434290568 /nfs/dbraw/zinc/29/05/68/434290568.db2.gz IMECHOOBCIWSMM-PVAVHDDUSA-N 0 3 319.449 3.236 10 30 DGEEHN CN1CC[C@@H](CNC(=O)Cc2cccs2)[C@@H]1c1cccnc1 ZINC000328628550 434292242 /nfs/dbraw/zinc/29/22/42/434292242.db2.gz NVSNGZZDGBIMTD-YOEHRIQHSA-N 0 3 315.442 3.335 10 30 DGEEHN CN1CC[C@@H](CNC(=O)Nc2ccsc2)[C@@H]1c1cccnc1 ZINC000328619957 434292526 /nfs/dbraw/zinc/29/25/26/434292526.db2.gz GNTSPSNVSQVITB-ZFWWWQNUSA-N 0 3 316.430 3.162 10 30 DGEEHN O=C(CN[C@H]1CCC(=O)NC12CCC2)Nc1ccccc1F ZINC000328714543 434301678 /nfs/dbraw/zinc/30/16/78/434301678.db2.gz SMYTVXXRHXHTCF-ZDUSSCGKSA-N 0 3 305.353 3.045 10 30 DGEEHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000328830129 434317726 /nfs/dbraw/zinc/31/77/26/434317726.db2.gz KKNMMNLQXBIRAE-HYVNUMGLSA-N 0 3 321.428 3.343 10 30 DGEEHN C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000287328460 434335245 /nfs/dbraw/zinc/33/52/45/434335245.db2.gz MMNSCJOZGKNVMC-HXUWFJFHSA-N 0 3 320.436 3.113 10 30 DGEEHN CC(=O)[C@](C)(O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450710634 434356093 /nfs/dbraw/zinc/35/60/93/434356093.db2.gz CVNSNORBDQZULM-JLTOFOAXSA-N 0 3 322.408 3.216 10 30 DGEEHN C[C@@H](NCCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000358592127 434398046 /nfs/dbraw/zinc/39/80/46/434398046.db2.gz PLVVNWPKLHVQCQ-GFCCVEGCSA-N 0 3 306.381 3.470 10 30 DGEEHN C[C@@H](NC[C@H](C)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571699 434399707 /nfs/dbraw/zinc/39/97/07/434399707.db2.gz PITFLNSDIJAIRP-QLFBSQMISA-N 0 3 303.425 3.468 10 30 DGEEHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1Cl ZINC000424074281 434614868 /nfs/dbraw/zinc/61/48/68/434614868.db2.gz GWHJQPHZCTZTSK-RNCFNFMXSA-N 0 3 314.216 3.192 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(Br)cc1F ZINC000424177510 434647016 /nfs/dbraw/zinc/64/70/16/434647016.db2.gz UGFNEDMGYFRRNP-FZMZJTMJSA-N 0 3 314.198 3.269 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000521600882 434888411 /nfs/dbraw/zinc/88/84/11/434888411.db2.gz OWPRBSXOWWTWTB-CGTJXYLNSA-N 0 3 321.509 3.397 10 30 DGEEHN CC#CCCN1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000462357830 434909230 /nfs/dbraw/zinc/90/92/30/434909230.db2.gz VNOOFXAOSICJHQ-FQEVSTJZSA-N 0 3 320.436 3.447 10 30 DGEEHN C=CCN1CCC(N[C@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527860791 435016174 /nfs/dbraw/zinc/01/61/74/435016174.db2.gz XUEYGLSDOARFPK-MRXNPFEDSA-N 0 3 324.472 3.388 10 30 DGEEHN CCO[C@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)C12CCCC2 ZINC000574681679 434996718 /nfs/dbraw/zinc/99/67/18/434996718.db2.gz XKTWBDKDAWBMTM-ROUUACIJSA-N 0 3 314.429 3.394 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H](CO)Cc1ccc(C)cc1 ZINC000466917036 435099983 /nfs/dbraw/zinc/09/99/83/435099983.db2.gz MCXCUNCTQUKEQE-LJQANCHMSA-N 0 3 311.425 3.253 10 30 DGEEHN C=C(C)[C@H](CC(=O)NCCN1CC=C(C(C)(C)C)CC1)OCC ZINC000580655676 435236761 /nfs/dbraw/zinc/23/67/61/435236761.db2.gz FGGYATRVFCYTOO-KRWDZBQOSA-N 0 3 322.493 3.152 10 30 DGEEHN C=CCOc1ccc(CNC[C@@H](O)CCc2ccccc2)cc1 ZINC000541384775 435643602 /nfs/dbraw/zinc/64/36/02/435643602.db2.gz ZINZILSMAHSABN-IBGZPJMESA-N 0 3 311.425 3.335 10 30 DGEEHN N#Cc1ccc(OCCNCc2c[nH]nc2-c2ccccc2)cc1 ZINC000174559009 312764001 /nfs/dbraw/zinc/76/40/01/312764001.db2.gz DGFJJHOMZZACEP-UHFFFAOYSA-N 0 3 318.380 3.117 10 30 DGEEHN C[C@H](NC[C@H](O)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000543416411 314133177 /nfs/dbraw/zinc/13/31/77/314133177.db2.gz KEWILPNYBWKLAE-WMLDXEAASA-N 0 3 312.388 3.342 10 30 DGEEHN COc1ccc([C@@H](C)NCCOc2cccc(C#N)c2)cc1F ZINC000182031103 323280353 /nfs/dbraw/zinc/28/03/53/323280353.db2.gz VLPLRHDEMHQYMT-CYBMUJFWSA-N 0 3 314.360 3.436 10 30 DGEEHN C=CCOc1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000500249913 340053981 /nfs/dbraw/zinc/05/39/81/340053981.db2.gz MNWGPYXLGHJJJH-GOSISDBHSA-N 0 3 315.388 3.084 10 30 DGEEHN CC1(C)CC[C@H](CNCc2cccc(OCCCC#N)c2)O1 ZINC000189720699 340539609 /nfs/dbraw/zinc/53/96/09/340539609.db2.gz YUNOVBDQIAYXOY-QGZVFWFLSA-N 0 3 302.418 3.416 10 30 DGEEHN C=CCN(Cc1cccs1)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000132333022 341120960 /nfs/dbraw/zinc/12/09/60/341120960.db2.gz JXETYRVQAUKDRO-ZBFHGGJFSA-N 0 3 321.490 3.174 10 30 DGEEHN C=CCOc1ccccc1CN1CCOC2(CCOCC2)CC1 ZINC000547424715 341212378 /nfs/dbraw/zinc/21/23/78/341212378.db2.gz YUZRVZUQNPUVLJ-UHFFFAOYSA-N 0 3 317.429 3.023 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1)C(C)C ZINC000550713552 341321985 /nfs/dbraw/zinc/32/19/85/341321985.db2.gz DFSJSPMKEAOOSV-SFNKJDCFSA-N 0 3 304.478 3.237 10 30 DGEEHN C=CCC[C@H](O)CN(CCC)Cc1cccc(OC)c1OC ZINC000036097252 518724471 /nfs/dbraw/zinc/72/44/71/518724471.db2.gz GCDOSSCLMHZMOJ-INIZCTEOSA-N 0 3 307.434 3.243 10 30 DGEEHN C=C(CC)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494277497 534419862 /nfs/dbraw/zinc/41/98/62/534419862.db2.gz RNYJVHMLFMNMEC-GDBMZVCRSA-N 0 3 310.800 3.307 10 30 DGEEHN CC#CCCN1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000360485319 526308582 /nfs/dbraw/zinc/30/85/82/526308582.db2.gz BRILJHVQVVSASZ-PXNSSMCTSA-N 0 3 313.489 3.336 10 30 DGEEHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCO[C@@H](CC)C1 ZINC000348639805 526560368 /nfs/dbraw/zinc/56/03/68/526560368.db2.gz ZMCGMXJNRCGPHU-HOTGVXAUSA-N 0 3 307.434 3.355 10 30 DGEEHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181313622 526628330 /nfs/dbraw/zinc/62/83/30/526628330.db2.gz OTAHLNADZMGFGD-HUUCEWRRSA-N 0 3 309.413 3.090 10 30 DGEEHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181313586 526635223 /nfs/dbraw/zinc/63/52/23/526635223.db2.gz OTAHLNADZMGFGD-CABCVRRESA-N 0 3 309.413 3.090 10 30 DGEEHN C=CCOc1ccc(CN2CCC[C@@H]3COCC[C@@H]32)cc1OC ZINC000355135138 526867197 /nfs/dbraw/zinc/86/71/97/526867197.db2.gz NTOUANOYMZWDHU-SJORKVTESA-N 0 3 317.429 3.261 10 30 DGEEHN C=CCOc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000353236959 526903771 /nfs/dbraw/zinc/90/37/71/526903771.db2.gz DTIXTDKVCFWPPC-UHFFFAOYSA-N 0 3 308.381 3.421 10 30 DGEEHN C=CCOc1ccccc1CN1CCC[C@H](c2ccnn2C)C1 ZINC000352372031 526932489 /nfs/dbraw/zinc/93/24/89/526932489.db2.gz OBEYTVNPZJGFKI-INIZCTEOSA-N 0 3 311.429 3.365 10 30 DGEEHN C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000193123834 527013675 /nfs/dbraw/zinc/01/36/75/527013675.db2.gz HRPRTAWQMXVAAR-DZGCQCFKSA-N 0 3 320.458 3.060 10 30 DGEEHN C=CC[C@@H](CO)CN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358972675 527083067 /nfs/dbraw/zinc/08/30/67/527083067.db2.gz WUTGTBIDBZIRQT-CRAIPNDOSA-N 0 3 311.429 3.024 10 30 DGEEHN C=CC[C@@H](CO)CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358972677 527083353 /nfs/dbraw/zinc/08/33/53/527083353.db2.gz WUTGTBIDBZIRQT-QAPCUYQASA-N 0 3 311.429 3.024 10 30 DGEEHN C#CCOc1ccc([C@H](C)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178356314 527116043 /nfs/dbraw/zinc/11/60/43/527116043.db2.gz RZDZCOYOLVGZQV-KPOBHBOGSA-N 0 3 307.393 3.008 10 30 DGEEHN C=CC[C@H](C)[C@H](C)NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000349147654 527141274 /nfs/dbraw/zinc/14/12/74/527141274.db2.gz IIVJSOZZYMAPSF-STQMWFEESA-N 0 3 302.418 3.436 10 30 DGEEHN C=CCCCN(C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000076801824 527192634 /nfs/dbraw/zinc/19/26/34/527192634.db2.gz CAJIDHRUYOPSJX-UHFFFAOYSA-N 0 3 312.816 3.336 10 30 DGEEHN C=CCC[C@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000131047650 527477362 /nfs/dbraw/zinc/47/73/62/527477362.db2.gz GKWZVSJMSZEZTK-SJORKVTESA-N 0 3 301.434 3.039 10 30 DGEEHN CCN(CCC#N)C(=O)CNC1(c2ccccc2)CCCCC1 ZINC000357664180 528362879 /nfs/dbraw/zinc/36/28/79/528362879.db2.gz YTHGEUPHWOMMSN-UHFFFAOYSA-N 0 3 313.445 3.198 10 30 DGEEHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc2ccccc2c1 ZINC000181494501 528625878 /nfs/dbraw/zinc/62/58/78/528625878.db2.gz CXXCZRGDALDAID-JKSUJKDBSA-N 0 3 323.440 3.499 10 30 DGEEHN C[C@H](NCC(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCCO1 ZINC000329695500 546491011 /nfs/dbraw/zinc/49/10/11/546491011.db2.gz XNFWWWRUXRDCAJ-IAOVAPTHSA-N 0 3 302.418 3.178 10 30 DGEEHN C=C(C)CNC(=S)NCc1ccccc1CN1CCCCC1 ZINC000730595435 574532726 /nfs/dbraw/zinc/53/27/26/574532726.db2.gz JVBBTVPYFIBZNF-UHFFFAOYSA-N 0 3 317.502 3.213 10 30 DGEEHN C#Cc1cccc(NC(=S)N(C)[C@@H]2CCN(CC)C[C@H]2C)c1 ZINC000741493135 574557792 /nfs/dbraw/zinc/55/77/92/574557792.db2.gz ROMUXSIQEMGIOC-RHSMWYFYSA-N 0 3 315.486 3.027 10 30 DGEEHN C=C(C)CNC(=S)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000741500518 574960263 /nfs/dbraw/zinc/96/02/63/574960263.db2.gz ZCGFKRLGXUNTSS-UKRRQHHQSA-N 0 3 323.531 3.171 10 30 DGEEHN CO[C@H](C(=O)C(C#N)c1nc2ccccc2n1C)c1ccccc1 ZINC000122984163 656131477 /nfs/dbraw/zinc/13/14/77/656131477.db2.gz SHZXJBBPSQDRLQ-KSSFIOAISA-N 0 3 319.364 3.137 10 30 DGEEHN CCc1oc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)cc1C ZINC000162412551 656144172 /nfs/dbraw/zinc/14/41/72/656144172.db2.gz APWCBMGYCIMTDL-AWEZNQCLSA-N 0 3 310.353 3.420 10 30 DGEEHN C#CC[C@H](COC)NCc1cc(Br)c(Cl)s1 ZINC000716934277 661234123 /nfs/dbraw/zinc/23/41/23/661234123.db2.gz JMBMKTIYMISIIU-MRVPVSSYSA-N 0 3 322.655 3.292 10 30 DGEEHN CCCCCNC(=O)C(C#N)C(=O)CCCc1ccc(C)cc1 ZINC000069912415 660028389 /nfs/dbraw/zinc/02/83/89/660028389.db2.gz KGFYTFMDSOROSP-KRWDZBQOSA-N 0 3 314.429 3.333 10 30 DGEEHN N#Cc1ccc(C(F)(F)F)c(N2CCCN(C3CC3)CC2)c1 ZINC000185296005 283135533 /nfs/dbraw/zinc/13/55/33/283135533.db2.gz CQMHSEGFUPESBL-UHFFFAOYSA-N 0 3 309.335 3.252 10 30 DGEEHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](CNc2ccccn2)C1 ZINC000189896010 432102331 /nfs/dbraw/zinc/10/23/31/432102331.db2.gz SIEVJKZASFFMHE-NVXWUHKLSA-N 0 3 306.413 3.448 10 30 DGEEHN C=C(C)COc1cc(CN2CC[C@H](CO)[C@@H]2CC)ccc1OC ZINC000449424483 240195627 /nfs/dbraw/zinc/19/56/27/240195627.db2.gz PDPWAYSPEHBYAY-SJORKVTESA-N 0 3 319.445 3.243 10 30 DGEEHN N#Cc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)o1 ZINC000091966757 193134022 /nfs/dbraw/zinc/13/40/22/193134022.db2.gz NEMBAIQLHKSEPM-CRAIPNDOSA-N 0 3 314.360 3.378 10 30 DGEEHN CCc1ccc([C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000121494422 284198388 /nfs/dbraw/zinc/19/83/88/284198388.db2.gz FCXPKEKKPJMTHY-KXBFYZLASA-N 0 3 324.424 3.211 10 30 DGEEHN CC#CCCCC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000493036892 245867663 /nfs/dbraw/zinc/86/76/63/245867663.db2.gz WZPPORFKPMERSR-FQEVSTJZSA-N 0 3 312.457 3.351 10 30 DGEEHN CC(C)N(CC/C(N)=N/O)Cc1ccc(Cl)c(Cl)c1 ZINC000042529135 183281057 /nfs/dbraw/zinc/28/10/57/183281057.db2.gz OWBRHHWMKPKYED-UHFFFAOYSA-N 0 3 304.221 3.340 10 30 DGEEHN CCOCCN1CCN([C@H](C)c2cccc(C#N)c2)C[C@H]1CC ZINC000249264332 285065227 /nfs/dbraw/zinc/06/52/27/285065227.db2.gz IMOYDXHVQMQJGL-VQIMIIECSA-N 0 3 315.461 3.052 10 30 DGEEHN C[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccs1 ZINC000172603362 533342474 /nfs/dbraw/zinc/34/24/74/533342474.db2.gz HCVYNCKUUVLITQ-CYBMUJFWSA-N 0 3 305.447 3.084 10 30 DGEEHN C=CCOc1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000067504546 400175361 /nfs/dbraw/zinc/17/53/61/400175361.db2.gz HTNPIVDCYKIXMN-QGZVFWFLSA-N 0 3 310.397 3.107 10 30 DGEEHN C=CC[C@@H](C(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617009014 400271572 /nfs/dbraw/zinc/27/15/72/400271572.db2.gz QGJZKXIHXGDLKK-IAGOWNOFSA-N 0 3 300.446 3.335 10 30 DGEEHN C=CCOc1ccc(CNCc2ccc3cnn(C)c3c2)cc1 ZINC000580985766 400349205 /nfs/dbraw/zinc/34/92/05/400349205.db2.gz VNWNCXBRBZDEGT-UHFFFAOYSA-N 0 3 307.397 3.428 10 30 DGEEHN C=CCCC[C@H](C)NCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602580838 400504011 /nfs/dbraw/zinc/50/40/11/400504011.db2.gz IGHDTCUNYIQNPQ-ZDUSSCGKSA-N 0 3 307.438 3.210 10 30 DGEEHN Cc1cc(CN2CCC[C@H](c3nncn3C3CC3)C2)ccc1C#N ZINC000618751542 400683137 /nfs/dbraw/zinc/68/31/37/400683137.db2.gz GMGAJYDZCHGKSG-KRWDZBQOSA-N 0 3 321.428 3.173 10 30 DGEEHN C=CC[C@@H]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593620215 400882294 /nfs/dbraw/zinc/88/22/94/400882294.db2.gz FVUPBTPWGQNWTI-VXGBXAGGSA-N 0 3 300.362 3.306 10 30 DGEEHN C=CC[C@H]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593620213 400882427 /nfs/dbraw/zinc/88/24/27/400882427.db2.gz FVUPBTPWGQNWTI-RYUDHWBXSA-N 0 3 300.362 3.306 10 30 DGEEHN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594424898 401062826 /nfs/dbraw/zinc/06/28/26/401062826.db2.gz DLKMBYOPOCCVTC-YJBOKZPZSA-N 0 3 313.445 3.225 10 30 DGEEHN C=CC[C@H]1CCN(CC(=O)N2CCc3sccc3[C@H]2CC)C1 ZINC000625702840 401185317 /nfs/dbraw/zinc/18/53/17/401185317.db2.gz JFJBWWNFESBKGU-GOEBONIOSA-N 0 3 318.486 3.482 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N(C)C[C@H](C)C(C)(C)C)CC1 ZINC000634848247 401359084 /nfs/dbraw/zinc/35/90/84/401359084.db2.gz ZKYOGNIQTBKQBX-HNNXBMFYSA-N 0 3 309.498 3.351 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000623814458 401582652 /nfs/dbraw/zinc/58/26/52/401582652.db2.gz GDICWDSLFGUJQU-NXHRZFHOSA-N 0 3 313.445 3.039 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000623566093 401547717 /nfs/dbraw/zinc/54/77/17/401547717.db2.gz GHZGWKGZNZOUAB-WMZOPIPTSA-N 0 3 315.461 3.205 10 30 DGEEHN C=CC(C)(C)CCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000624038108 401616628 /nfs/dbraw/zinc/61/66/28/401616628.db2.gz RLDKVUXRWVCXLB-CQSZACIVSA-N 0 3 311.422 3.236 10 30 DGEEHN C=CC(C)(C)CCN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000629250971 401675265 /nfs/dbraw/zinc/67/52/65/401675265.db2.gz VMMIXWLMJXBHIU-MRXNPFEDSA-N 0 3 304.409 3.337 10 30 DGEEHN C=CC(C)(C)CCN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000629250970 401675284 /nfs/dbraw/zinc/67/52/84/401675284.db2.gz VMMIXWLMJXBHIU-INIZCTEOSA-N 0 3 304.409 3.337 10 30 DGEEHN C=CCC[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000131048070 196135559 /nfs/dbraw/zinc/13/55/59/196135559.db2.gz GKWZVSJMSZEZTK-IAGOWNOFSA-N 0 3 301.434 3.039 10 30 DGEEHN Cc1c(C#N)cccc1NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000178539823 228342773 /nfs/dbraw/zinc/34/27/73/228342773.db2.gz SVTADZSIZLSLDN-GOSISDBHSA-N 0 3 322.412 3.291 10 30 DGEEHN CC[C@@H](C)N[C@H](CNC(=O)c1sccc1C#N)c1ccco1 ZINC000359548143 266362453 /nfs/dbraw/zinc/36/24/53/266362453.db2.gz UBUIMAZURXZNTN-DGCLKSJQSA-N 0 3 317.414 3.072 10 30 DGEEHN C[C@@H](NCCCN1CCCCCC1=O)c1ccc(C#N)cc1F ZINC000358577861 266964252 /nfs/dbraw/zinc/96/42/52/266964252.db2.gz VNMGACUNGLJTCD-CQSZACIVSA-N 0 3 317.408 3.141 10 30 DGEEHN C[C@H](NCCCN1CCCCCC1=O)c1ccc(C#N)cc1F ZINC000358577860 267182596 /nfs/dbraw/zinc/18/25/96/267182596.db2.gz VNMGACUNGLJTCD-AWEZNQCLSA-N 0 3 317.408 3.141 10 30 DGEEHN C[C@H](NCCc1cn2c(n1)CCCC2)c1ccc(C#N)cc1F ZINC000358571134 267182811 /nfs/dbraw/zinc/18/28/11/267182811.db2.gz OCLUVOYHOHKZMN-ZDUSSCGKSA-N 0 3 312.392 3.123 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NC23CCC(CC2)CC3)CC1 ZINC000458312255 275417661 /nfs/dbraw/zinc/41/76/61/275417661.db2.gz BDFQVEWKOPUNMV-UHFFFAOYSA-N 0 3 305.466 3.049 10 30 DGEEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)NC1CCCCC1 ZINC000328851141 279503793 /nfs/dbraw/zinc/50/37/93/279503793.db2.gz UXVYWPZAVLBSOP-SGIREYDYSA-N 0 3 307.438 3.151 10 30 DGEEHN COc1ccc(OC)c([C@H]2CCCN2CCCSCC#N)c1 ZINC000074981359 431445030 /nfs/dbraw/zinc/44/50/30/431445030.db2.gz MPMAOWXMKPMZDJ-MRXNPFEDSA-N 0 3 320.458 3.488 10 30 DGEEHN C=CCCCN(C)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000076738348 431562477 /nfs/dbraw/zinc/56/24/77/431562477.db2.gz NAENJKZJXHOUEJ-GOSISDBHSA-N 0 3 316.445 3.257 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000119282617 431670485 /nfs/dbraw/zinc/67/04/85/431670485.db2.gz VGTQDXGHBMKMLA-ROUUACIJSA-N 0 3 304.478 3.360 10 30 DGEEHN CN(Cc1ccc(C#N)o1)C1CCN(Cc2ccccc2)CC1 ZINC000119315697 431677157 /nfs/dbraw/zinc/67/71/57/431677157.db2.gz WOOQNGSKWYKHHT-UHFFFAOYSA-N 0 3 309.413 3.248 10 30 DGEEHN CCc1nccn1[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000122944935 431849682 /nfs/dbraw/zinc/84/96/82/431849682.db2.gz KUACCLIFGFDCPB-CQSZACIVSA-N 0 3 300.431 3.216 10 30 DGEEHN CN1CCC(Oc2cccc3ncc(C#N)c(Cl)c32)CC1 ZINC000095937903 431927268 /nfs/dbraw/zinc/92/72/68/431927268.db2.gz SJBVKUZOGQKEAG-UHFFFAOYSA-N 0 3 301.777 3.233 10 30 DGEEHN CCN(CC)CCSc1nc(C(F)(F)F)ccc1C#N ZINC000097093852 431959947 /nfs/dbraw/zinc/95/99/47/431959947.db2.gz GVAPMNOYCTXWAG-UHFFFAOYSA-N 0 3 303.353 3.406 10 30 DGEEHN C[C@H](c1ccc(C#N)cc1)N1CCCN(c2ccccn2)CC1 ZINC000183796277 432326616 /nfs/dbraw/zinc/32/66/16/432326616.db2.gz FUHUDKXRERXUGA-MRXNPFEDSA-N 0 3 306.413 3.227 10 30 DGEEHN C=CCSc1ccccc1NC(=O)CN[C@@H](C)[C@@H]1CCCO1 ZINC000193123803 432451994 /nfs/dbraw/zinc/45/19/94/432451994.db2.gz HRPRTAWQMXVAAR-ZFWWWQNUSA-N 0 3 320.458 3.060 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000185466367 432502678 /nfs/dbraw/zinc/50/26/78/432502678.db2.gz FAUVSBPHKLTRNH-KRWDZBQOSA-N 0 3 302.462 3.488 10 30 DGEEHN C=CCOc1cccc(NC(=O)N(C)C[C@@H]2CCCN2CC)c1 ZINC000176324393 432511651 /nfs/dbraw/zinc/51/16/51/432511651.db2.gz PPACZMSZTXFPRS-INIZCTEOSA-N 0 3 317.433 3.199 10 30 DGEEHN CC(=O)c1ccc(C#N)c(N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1 ZINC000272501016 432513707 /nfs/dbraw/zinc/51/37/07/432513707.db2.gz LGFQBVQMMONUTF-MSOLQXFVSA-N 0 3 311.429 3.212 10 30 DGEEHN N#Cc1ccc2ncc(CN3CC[C@H](c4ccccc4)C3)n2c1 ZINC000155061421 432537202 /nfs/dbraw/zinc/53/72/02/432537202.db2.gz HTLOOBPDAVCBHN-KRWDZBQOSA-N 0 3 302.381 3.195 10 30 DGEEHN N#Cc1ccc2ncc(CN3CC[C@@H](Cc4ccccc4)C3)n2c1 ZINC000155088804 432538382 /nfs/dbraw/zinc/53/83/82/432538382.db2.gz CKZWJXZPSMAIQL-KRWDZBQOSA-N 0 3 316.408 3.271 10 30 DGEEHN C=C(C)CN(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000157487340 432621080 /nfs/dbraw/zinc/62/10/80/432621080.db2.gz UWUQHRPWPLANQJ-IBGZPJMESA-N 0 3 315.461 3.259 10 30 DGEEHN C=CC[C@H](CO)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000186695929 432622597 /nfs/dbraw/zinc/62/25/97/432622597.db2.gz WSAKFGNVNPOSBG-GXSJLCMTSA-N 0 3 302.187 3.176 10 30 DGEEHN C=CC[C@H](CO)N[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000186709713 432624394 /nfs/dbraw/zinc/62/43/94/432624394.db2.gz AAYZWWUWMQEIJF-BXUZGUMPSA-N 0 3 301.308 3.099 10 30 DGEEHN C[C@H](NCc1cc(C#N)cs1)c1ccc(-n2cncn2)cc1 ZINC000177681413 432649629 /nfs/dbraw/zinc/64/96/29/432649629.db2.gz CWDFZQNCPFLPNJ-LBPRGKRZSA-N 0 3 309.398 3.051 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160022594 432704930 /nfs/dbraw/zinc/70/49/30/432704930.db2.gz AORWMRQMIXZXBM-FUHWJXTLSA-N 0 3 315.461 3.257 10 30 DGEEHN C=C(C)[C@@H](NC[C@@H](O)COC(C)(C)C)c1ccc(F)c(F)c1 ZINC000187757312 432682791 /nfs/dbraw/zinc/68/27/91/432682791.db2.gz QYZOCEAMLGNXAX-CZUORRHYSA-N 0 3 313.388 3.348 10 30 DGEEHN C=CCC[C@@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000178453283 432738584 /nfs/dbraw/zinc/73/85/84/432738584.db2.gz BKUCQKVIEQWKBM-QZTJIDSGSA-N 0 3 313.445 3.184 10 30 DGEEHN CN(Cc1cc(F)ccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336709232 433179907 /nfs/dbraw/zinc/17/99/07/433179907.db2.gz MLZSUMCOJRKHQI-FQEVSTJZSA-N 0 3 323.415 3.404 10 30 DGEEHN C=CCCN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000374786502 433276848 /nfs/dbraw/zinc/27/68/48/433276848.db2.gz ZPYZMNPCTJVUIN-INIZCTEOSA-N 0 3 324.428 3.418 10 30 DGEEHN N#Cc1cccc(NC[C@H]2CCCCN2Cc2ccccc2)n1 ZINC000301296027 433494085 /nfs/dbraw/zinc/49/40/85/433494085.db2.gz XSMLIQKMMCCIPD-GOSISDBHSA-N 0 3 306.413 3.420 10 30 DGEEHN C=CCOc1ccc(CN2CCC23CCOCC3)cc1OC ZINC000375734372 433545181 /nfs/dbraw/zinc/54/51/81/433545181.db2.gz VCHFWVKRWAVEDC-UHFFFAOYSA-N 0 3 303.402 3.015 10 30 DGEEHN C=CCOc1ccc(CN2CCC(c3ccncn3)CC2)cc1 ZINC000414474253 433638320 /nfs/dbraw/zinc/63/83/20/433638320.db2.gz XIIBAMYYQWVZLF-UHFFFAOYSA-N 0 3 309.413 3.421 10 30 DGEEHN C#CCCN1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000362458353 433726028 /nfs/dbraw/zinc/72/60/28/433726028.db2.gz ZEDAFXTVXUAYRJ-MRXNPFEDSA-N 0 3 302.805 3.111 10 30 DGEEHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000432074352 433821216 /nfs/dbraw/zinc/82/12/16/433821216.db2.gz BTOJAUKMQNURQG-SJORKVTESA-N 0 3 315.461 3.333 10 30 DGEEHN CC[C@](C)(C#N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000285164937 433918393 /nfs/dbraw/zinc/91/83/93/433918393.db2.gz PUSPWTHTLICPAV-IEBWSBKVSA-N 0 3 313.445 3.097 10 30 DGEEHN Cc1cc(C#N)cc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000303741917 433963678 /nfs/dbraw/zinc/96/36/78/433963678.db2.gz VLSCTZHPJGBDLY-GOSISDBHSA-N 0 3 306.413 3.338 10 30 DGEEHN C=CCOc1ccc(CN[C@H](CC)[C@H](O)C(F)F)cc1Cl ZINC000295133770 434218542 /nfs/dbraw/zinc/21/85/42/434218542.db2.gz YOGPRIPGYKJSQQ-OCCSQVGLSA-N 0 3 319.779 3.399 10 30 DGEEHN C[C@H](NC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cccs1 ZINC000328922025 434329306 /nfs/dbraw/zinc/32/93/06/434329306.db2.gz UFOYMZVDUHWBOY-KANYHAFZSA-N 0 3 321.446 3.253 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@]2(CC=CCC2)C1 ZINC000358394092 434393341 /nfs/dbraw/zinc/39/33/41/434393341.db2.gz FXASCOBGTQURFC-PKOBYXMFSA-N 0 3 302.462 3.398 10 30 DGEEHN C[C@@H](NC[C@@H](C)N1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358594775 434399316 /nfs/dbraw/zinc/39/93/16/434399316.db2.gz UDUVMJORIXSOAO-HUUCEWRRSA-N 0 3 303.425 3.468 10 30 DGEEHN C[C@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(C#N)cc1F ZINC000358574106 434400356 /nfs/dbraw/zinc/40/03/56/434400356.db2.gz ROKRLPDHCZGBDX-ZFWWWQNUSA-N 0 3 310.376 3.022 10 30 DGEEHN Cc1cc(C#N)nc(N[C@H](CN(C)Cc2ccccc2)C(C)C)n1 ZINC000398144187 434457850 /nfs/dbraw/zinc/45/78/50/434457850.db2.gz NFVGETVNCDXCRK-GOSISDBHSA-N 0 3 323.444 3.225 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)CC1 ZINC000368084846 434566549 /nfs/dbraw/zinc/56/65/49/434566549.db2.gz HXFLIONPNVDLOJ-VQIMIIECSA-N 0 3 319.493 3.249 10 30 DGEEHN C=CCN1CC[C@H](N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)C1=O ZINC000410382866 434644861 /nfs/dbraw/zinc/64/48/61/434644861.db2.gz BSPUGXHXIOPOMH-ROUUACIJSA-N 0 3 318.436 3.112 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418503326 434665717 /nfs/dbraw/zinc/66/57/17/434665717.db2.gz XPMSLCBEARLXBL-GOSISDBHSA-N 0 3 311.429 3.447 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000424291626 434680135 /nfs/dbraw/zinc/68/01/35/434680135.db2.gz DWYMIZTXDAAVJS-MKBNYLNASA-N 0 3 319.836 3.468 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@@H](COC)c1cccc(Cl)c1F ZINC000424295920 434684024 /nfs/dbraw/zinc/68/40/24/434684024.db2.gz NTCFNSXMQIRBHM-CQDKDKBSSA-N 0 3 313.800 3.347 10 30 DGEEHN C=CCn1cc(CN[C@@H](C)CCc2ccc(Cl)s2)nn1 ZINC000424300906 434685945 /nfs/dbraw/zinc/68/59/45/434685945.db2.gz YRZCKZLNUNGGAJ-NSHDSACASA-N 0 3 310.854 3.290 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@H](F)C1)C(C)C ZINC000424654080 434770245 /nfs/dbraw/zinc/77/02/45/434770245.db2.gz HRJNBFOEAPHWDG-IXDOHACOSA-N 0 3 310.457 3.330 10 30 DGEEHN C=CCC1(C(=O)Nc2cc(C)cc(CN(C)C)c2)CCOCC1 ZINC000424747788 434794241 /nfs/dbraw/zinc/79/42/41/434794241.db2.gz HEGLHZLGISNWDA-UHFFFAOYSA-N 0 3 316.445 3.368 10 30 DGEEHN C=CCN1CC[C@H](N2CC[C@@H](c3ccc(F)cc3)C2(C)C)C1=O ZINC000528743953 435027535 /nfs/dbraw/zinc/02/75/35/435027535.db2.gz IJGMXWWAFYDYKP-IRXDYDNUSA-N 0 3 316.420 3.181 10 30 DGEEHN C=CCN1CC[C@@H](N2CC[C@H](c3ccc(F)cc3)C2(C)C)C1=O ZINC000528743951 435028054 /nfs/dbraw/zinc/02/80/54/435028054.db2.gz IJGMXWWAFYDYKP-IAGOWNOFSA-N 0 3 316.420 3.181 10 30 DGEEHN C(#Cc1ccccc1)CN1CCCN2c3ccccc3C[C@H]2C1 ZINC000577029628 435058579 /nfs/dbraw/zinc/05/85/79/435058579.db2.gz FPZIKHINJKLZDT-FQEVSTJZSA-N 0 3 302.421 3.175 10 30 DGEEHN C=CCOc1ccccc1CN[C@H](CO)Cc1ccccc1C ZINC000466918504 435099040 /nfs/dbraw/zinc/09/90/40/435099040.db2.gz ZNTLPRVPTAZXGS-IBGZPJMESA-N 0 3 311.425 3.253 10 30 DGEEHN N#Cc1ccc(OCCNCc2cccc(OC(F)F)c2)cc1 ZINC000174561199 312764254 /nfs/dbraw/zinc/76/42/54/312764254.db2.gz RSFTVHQWPFXHOT-UHFFFAOYSA-N 0 3 318.323 3.328 10 30 DGEEHN Cc1ncc2c(n1)CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)C2 ZINC000540976240 313991289 /nfs/dbraw/zinc/99/12/89/313991289.db2.gz CDBZVKGYNIECTG-ABAIWWIYSA-N 0 3 310.376 3.004 10 30 DGEEHN C[C@@H](NCCCOCC(F)(F)F)c1ccc(C#N)cc1F ZINC000543762324 314157179 /nfs/dbraw/zinc/15/71/79/314157179.db2.gz IZTXHPLYVSXIRV-SNVBAGLBSA-N 0 3 304.287 3.317 10 30 DGEEHN CCN1CCN(c2ccccc2N[C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185732705 333212850 /nfs/dbraw/zinc/21/28/50/333212850.db2.gz IMSXDYPJGHFJCP-IRXDYDNUSA-N 0 3 312.461 3.323 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NCC[C@@H]2CC=CCC2)CC1 ZINC000527730878 337759452 /nfs/dbraw/zinc/75/94/52/337759452.db2.gz RCTDYWNLAJRHOF-MRXNPFEDSA-N 0 3 305.466 3.073 10 30 DGEEHN C=CCN1CCC(NC(=O)NCC(C2CCC2)C2CCC2)CC1 ZINC000527767841 337762278 /nfs/dbraw/zinc/76/22/78/337762278.db2.gz BQWSXLFMEDKIQP-UHFFFAOYSA-N 0 3 319.493 3.152 10 30 DGEEHN C=CC[C@H](CO)NCc1cc2cc(Br)ccc2o1 ZINC000517588050 340473030 /nfs/dbraw/zinc/47/30/30/340473030.db2.gz GXZOLWIOKDFCKY-GFCCVEGCSA-N 0 3 310.191 3.222 10 30 DGEEHN C=CCOc1ccc(CNc2ccc3c(c2)OCCNC3)cc1 ZINC000530180885 340781893 /nfs/dbraw/zinc/78/18/93/340781893.db2.gz DECCUZHNACWXHP-UHFFFAOYSA-N 0 3 310.397 3.346 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCC[C@H]1OC)C(C)C ZINC000576016243 341820441 /nfs/dbraw/zinc/82/04/41/341820441.db2.gz OGGWCSAPDRRIEL-RCCFBDPRSA-N 0 3 322.493 3.006 10 30 DGEEHN C=CCC[C@@H](O)CN(CCC)Cc1cccc(OC)c1OC ZINC000036097250 518713799 /nfs/dbraw/zinc/71/37/99/518713799.db2.gz GCDOSSCLMHZMOJ-MRXNPFEDSA-N 0 3 307.434 3.243 10 30 DGEEHN C=CCN1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000360447904 526454529 /nfs/dbraw/zinc/45/45/29/526454529.db2.gz MNFLELXKDXTISM-UHFFFAOYSA-N 0 3 315.335 3.141 10 30 DGEEHN C=CCN1CCC(Nc2cc(OCc3ccccc3)ncn2)CC1 ZINC000413130060 526454824 /nfs/dbraw/zinc/45/48/24/526454824.db2.gz QLPSHGVYQPKHQL-UHFFFAOYSA-N 0 3 324.428 3.118 10 30 DGEEHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000337178216 526512892 /nfs/dbraw/zinc/51/28/92/526512892.db2.gz KKKYMBPEKIEEQR-KXBFYZLASA-N 0 3 321.424 3.186 10 30 DGEEHN C=CCOc1ccc(CN2CCC[C@H]3COCC[C@@H]32)cc1OC ZINC000355135137 526866940 /nfs/dbraw/zinc/86/69/40/526866940.db2.gz NTOUANOYMZWDHU-IRXDYDNUSA-N 0 3 317.429 3.261 10 30 DGEEHN C=CCC(C)(C)CNCc1cc2c(cc1OCCOC)OCO2 ZINC000339414702 527018287 /nfs/dbraw/zinc/01/82/87/527018287.db2.gz AUAQAUAYOBNERW-UHFFFAOYSA-N 0 3 321.417 3.132 10 30 DGEEHN C=CC[C@H](CO)CN[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358972678 527190787 /nfs/dbraw/zinc/19/07/87/527190787.db2.gz WUTGTBIDBZIRQT-YJBOKZPZSA-N 0 3 311.429 3.024 10 30 DGEEHN C=CCC[C@@H](NC(=O)N1CC[C@H](N(C)C)C1)c1ccccc1 ZINC000131048283 527439851 /nfs/dbraw/zinc/43/98/51/527439851.db2.gz GKWZVSJMSZEZTK-DLBZAZTESA-N 0 3 301.434 3.039 10 30 DGEEHN C=CCC[C@@H](O)CN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000305100318 527452754 /nfs/dbraw/zinc/45/27/54/527452754.db2.gz XNCVVNRBMZSPSL-GOSISDBHSA-N 0 3 301.430 3.217 10 30 DGEEHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000131408052 545956608 /nfs/dbraw/zinc/95/66/08/545956608.db2.gz UZCRADBKFNTZSB-CABCVRRESA-N 0 3 304.434 3.063 10 30 DGEEHN C[C@H](NCC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCCO1 ZINC000329695501 546490657 /nfs/dbraw/zinc/49/06/57/546490657.db2.gz XNFWWWRUXRDCAJ-XKQJLSEDSA-N 0 3 302.418 3.178 10 30 DGEEHN C=CCOc1ccc(CN2CCCCC[C@@H]2CCO)cc1OC ZINC000342819211 546559513 /nfs/dbraw/zinc/55/95/13/546559513.db2.gz AAUJIBBBBPUYSB-QGZVFWFLSA-N 0 3 319.445 3.387 10 30 DGEEHN N#CCOc1ccc(Cl)cc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000735308870 574696281 /nfs/dbraw/zinc/69/62/81/574696281.db2.gz WSBUIQPPVLITFU-ZDUSSCGKSA-N 0 3 320.820 3.243 10 30 DGEEHN Cc1ccc(N=NC2CCN(CCc3ccccc3)CC2)nc1 ZINC000727259673 576116303 /nfs/dbraw/zinc/11/63/03/576116303.db2.gz KULRXQVVRVUKBS-UHFFFAOYSA-N 0 3 308.429 3.496 10 30 DGEEHN C#CCCCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000119742230 621721596 /nfs/dbraw/zinc/72/15/96/621721596.db2.gz ZJNXIEAVNVWNFP-IBGZPJMESA-N 0 3 312.457 3.351 10 30 DGEEHN CC(C)(C)OC(=O)NC1CCC(N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000218106802 627104260 /nfs/dbraw/zinc/10/42/60/627104260.db2.gz XKAIXGRMLLZZIF-XSCHDIRWSA-N 0 3 307.438 3.104 10 30 DGEEHN Cc1ccccc1SCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000127884662 655783426 /nfs/dbraw/zinc/78/34/26/655783426.db2.gz GCVBHHSBZMXUJM-OAHLLOKOSA-N 0 3 324.405 3.435 10 30 DGEEHN C#CC[C@H](COC)NCc1ccc(SC(F)(F)F)cc1 ZINC000716802298 661229385 /nfs/dbraw/zinc/22/93/85/661229385.db2.gz XZQJIASKJMCZLA-GFCCVEGCSA-N 0 3 303.349 3.426 10 30 DGEEHN C#CC[C@H](COC)NCc1cccc(OCc2ccccc2)c1 ZINC000716959028 661235539 /nfs/dbraw/zinc/23/55/39/661235539.db2.gz WLYDKUPJMMDUPE-LJQANCHMSA-N 0 3 309.409 3.394 10 30 DGEEHN N#Cc1ccc(CNCc2ccc(N3CCCCC3=O)cc2)cc1 ZINC000098172845 657994758 /nfs/dbraw/zinc/99/47/58/657994758.db2.gz QWYKRJYIPAUTIA-UHFFFAOYSA-N 0 3 319.408 3.365 10 30 DGEEHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000069953022 660031190 /nfs/dbraw/zinc/03/11/90/660031190.db2.gz MUPVLGUMYLOXLC-QGZVFWFLSA-N 0 3 312.413 3.085 10 30 DGEEHN C(#Cc1ccccc1)CN[C@@H](CN1CCCC1)c1ccccc1 ZINC000192150294 662088909 /nfs/dbraw/zinc/08/89/09/662088909.db2.gz CNHQZLLFAZAMPH-NRFANRHFSA-N 0 3 304.437 3.465 10 30 DGEEHN C[C@@H](NCc1ccc(C2OCCO2)cc1)c1ccc(C#N)cc1 ZINC000405924887 1094456791 /nfs/dbraw/zinc/45/67/91/1094456791.db2.gz DPZPGYSWQRQRPN-CQSZACIVSA-N 0 3 308.381 3.454 10 30 DGEEHN C/C=C1\CN2CC[C@]34c5ccccc5NC3=C(CC=O)[C@H]1C[C@H]24 ZINC000103016912 432001996 /nfs/dbraw/zinc/00/19/96/432001996.db2.gz XYYMIIIQUBXBGN-WEBNNTSLSA-N 0 3 306.409 3.247 10 30 DGEEHN CN(Cc1cc(C#N)ccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310509534 529976374 /nfs/dbraw/zinc/97/63/74/529976374.db2.gz JWUVJGZXVLFIEQ-IBGZPJMESA-N 0 3 323.415 3.404 10 30 DGEEHN C[C@@H](NCCOc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000181756265 199348235 /nfs/dbraw/zinc/34/82/35/199348235.db2.gz RIPLOLCURJNFRP-CQSZACIVSA-N 0 3 324.380 3.059 10 30 DGEEHN CCN1CCC[C@H](Nc2ccc(Br)cc2C#N)C1 ZINC000130435540 432025222 /nfs/dbraw/zinc/02/52/22/432025222.db2.gz UMTHWSOSHMJSJV-ZDUSSCGKSA-N 0 3 308.223 3.217 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)c1ccccc1 ZINC000163835584 432043537 /nfs/dbraw/zinc/04/35/37/432043537.db2.gz SASPNHRSOWCDBM-UHFFFAOYSA-N 0 3 307.397 3.075 10 30 DGEEHN C=C(C)CN(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000180832777 432101852 /nfs/dbraw/zinc/10/18/52/432101852.db2.gz AHHHVXVMRCPRGP-SFHVURJKSA-N 0 3 315.461 3.259 10 30 DGEEHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](CNc2ccccn2)C1 ZINC000189895997 432103255 /nfs/dbraw/zinc/10/32/55/432103255.db2.gz SIEVJKZASFFMHE-DOTOQJQBSA-N 0 3 306.413 3.448 10 30 DGEEHN C=CC[C@@H](CO)CNCc1cnc(-c2c(F)cccc2F)s1 ZINC000449211079 240070123 /nfs/dbraw/zinc/07/01/23/240070123.db2.gz WXQXUQVYBPMKRZ-LLVKDONJSA-N 0 3 324.396 3.363 10 30 DGEEHN C=C(C)COc1cc(CN2CC[C@@H](CO)[C@@H]2CC)ccc1OC ZINC000449424481 240193975 /nfs/dbraw/zinc/19/39/75/240193975.db2.gz PDPWAYSPEHBYAY-IRXDYDNUSA-N 0 3 319.445 3.243 10 30 DGEEHN N#Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)o1 ZINC000091966758 193133701 /nfs/dbraw/zinc/13/37/01/193133701.db2.gz NEMBAIQLHKSEPM-QAPCUYQASA-N 0 3 314.360 3.378 10 30 DGEEHN C=CCC[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000246221953 432108882 /nfs/dbraw/zinc/10/88/82/432108882.db2.gz BKUCQKVIEQWKBM-ZWKOTPCHSA-N 0 3 313.445 3.184 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C(C)C ZINC000469502398 244109157 /nfs/dbraw/zinc/10/91/57/244109157.db2.gz XTTHBKPATZKLGP-XWTMOSNGSA-N 0 3 304.478 3.237 10 30 DGEEHN C=CCN[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494204156 246120964 /nfs/dbraw/zinc/12/09/64/246120964.db2.gz HTHGBEWAMHVUDG-ZBFHGGJFSA-N 0 3 310.800 3.305 10 30 DGEEHN C=CCOc1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000032448606 182643334 /nfs/dbraw/zinc/64/33/34/182643334.db2.gz NOSAEGHLDCGBGC-LJQANCHMSA-N 0 3 324.424 3.284 10 30 DGEEHN Cc1cnn([C@@H]2CCCN(CCCOc3ccc(C#N)cc3)C2)c1 ZINC000171530094 432142317 /nfs/dbraw/zinc/14/23/17/432142317.db2.gz WGAVALAXJXICIG-GOSISDBHSA-N 0 3 324.428 3.169 10 30 DGEEHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114494603 400386825 /nfs/dbraw/zinc/38/68/25/400386825.db2.gz CIIIUAOFQLZEEJ-NEWSRXKRSA-N 0 3 317.477 3.252 10 30 DGEEHN CC[C@@H](C#N)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601728980 400341118 /nfs/dbraw/zinc/34/11/18/400341118.db2.gz RXCQCUQZUUUXEB-ROUUACIJSA-N 0 3 313.445 3.097 10 30 DGEEHN N#CCCCN(CC[C@H](O)C(F)(F)F)Cc1ccccc1 ZINC000038958086 400397178 /nfs/dbraw/zinc/39/71/78/400397178.db2.gz RNJTTZITQKQIRH-AWEZNQCLSA-N 0 3 300.324 3.106 10 30 DGEEHN CC(C)c1ccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000042979340 400448848 /nfs/dbraw/zinc/44/88/48/400448848.db2.gz AGVHZVAWUUMLLL-KUHUBIRLSA-N 0 3 313.445 3.269 10 30 DGEEHN C=CCN(CCC[C@H]1CCOC1)Cc1cccc([N+](=O)[O-])c1 ZINC000592065134 400601385 /nfs/dbraw/zinc/60/13/85/400601385.db2.gz NQOXMPNNIIBPCP-HNNXBMFYSA-N 0 3 304.390 3.400 10 30 DGEEHN C=C(C)CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130739 400611063 /nfs/dbraw/zinc/61/10/63/400611063.db2.gz LNTLQZJYQSVQIR-WKILWMFISA-N 0 3 304.390 3.276 10 30 DGEEHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000076574488 400661842 /nfs/dbraw/zinc/66/18/42/400661842.db2.gz FOMHADWWZOFUKW-CVEARBPZSA-N 0 3 315.461 3.469 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076737922 400669603 /nfs/dbraw/zinc/66/96/03/400669603.db2.gz NKGORZINZAEXOF-GFCCVEGCSA-N 0 3 305.809 3.437 10 30 DGEEHN C=CCN1CCC(NC(=O)NCC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000604652376 400794730 /nfs/dbraw/zinc/79/47/30/400794730.db2.gz JTHROJOUYORSLS-HZPDHXFCSA-N 0 3 307.482 3.152 10 30 DGEEHN C=CC[C@@H](CO)NCc1cccc(OCc2ccccc2F)c1 ZINC000184286055 400903256 /nfs/dbraw/zinc/90/32/56/400903256.db2.gz JTXHNEHHJZTLOY-KRWDZBQOSA-N 0 3 315.388 3.431 10 30 DGEEHN C=CCN(Cc1ccccc1)C[C@H](O)CN(C)Cc1ccccc1 ZINC000261401000 401112185 /nfs/dbraw/zinc/11/21/85/401112185.db2.gz GMWKRWMFVDCXDU-OAQYLSRUSA-N 0 3 324.468 3.168 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)CC2CCC(F)(F)CC2)CC1 ZINC000625323467 401100180 /nfs/dbraw/zinc/10/01/80/401100180.db2.gz YTFOIKSTIOUSDQ-UHFFFAOYSA-N 0 3 314.420 3.359 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000594968968 401213150 /nfs/dbraw/zinc/21/31/50/401213150.db2.gz YCCCHSPBUAOZLR-VWKPWSFCSA-N 0 3 307.459 3.031 10 30 DGEEHN C=CC[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000625703955 401187958 /nfs/dbraw/zinc/18/79/58/401187958.db2.gz QFHCUDUXHIHHPH-HUUCEWRRSA-N 0 3 304.409 3.243 10 30 DGEEHN C=CC(C)(C)CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000626289090 401335479 /nfs/dbraw/zinc/33/54/79/401335479.db2.gz CFGXKHXOPOFXOL-UHFFFAOYSA-N 0 3 319.449 3.351 10 30 DGEEHN C=CCOc1c(Cl)cc(CN[C@H]2CCCOC2)cc1OC ZINC000623407958 401510105 /nfs/dbraw/zinc/51/01/05/401510105.db2.gz BEHGCOSKAZHSNP-ZDUSSCGKSA-N 0 3 311.809 3.182 10 30 DGEEHN C=C(C)COc1cc(CN[C@@H]2CO[C@H](C3CC3)C2)ccc1OC ZINC000623753015 401576227 /nfs/dbraw/zinc/57/62/27/401576227.db2.gz PWIHHAZKZDIZNM-WMZOPIPTSA-N 0 3 317.429 3.307 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C/C=C/C)C2)CC1 ZINC000623579164 401550505 /nfs/dbraw/zinc/55/05/05/401550505.db2.gz POQZFTJYASMXSN-LAQIPUCWSA-N 0 3 319.493 3.415 10 30 DGEEHN C=C1CC(C)(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000632701594 401620316 /nfs/dbraw/zinc/62/03/16/401620316.db2.gz LTHZCNIKSFJLSW-NVXWUHKLSA-N 0 3 300.446 3.459 10 30 DGEEHN COc1ccc(C#N)cc1CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000185623085 165010299 /nfs/dbraw/zinc/01/02/99/165010299.db2.gz QXOFFUIWUHORDM-DYVFJYSZSA-N 0 3 308.381 3.221 10 30 DGEEHN C[C@H](N[C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358561640 270003998 /nfs/dbraw/zinc/00/39/98/270003998.db2.gz SNAQWSKFMOJSIK-CKFHNAJUSA-N 0 3 312.388 3.340 10 30 DGEEHN N#Cc1ncccc1NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000357192913 268327510 /nfs/dbraw/zinc/32/75/10/268327510.db2.gz ULDFNIGYNBXAIA-KRWDZBQOSA-N 0 3 306.413 3.420 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116430414 431512708 /nfs/dbraw/zinc/51/27/08/431512708.db2.gz SHNPIZBLURQKCK-MRXNPFEDSA-N 0 3 317.433 3.167 10 30 DGEEHN C#CCCOc1ccc(CN2CCC(Cn3cccn3)CC2)cc1 ZINC000122095092 431813102 /nfs/dbraw/zinc/81/31/02/431813102.db2.gz VBKJGZUEYKTMJV-UHFFFAOYSA-N 0 3 323.440 3.197 10 30 DGEEHN Cc1cnn([C@@H]2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000123014582 431852676 /nfs/dbraw/zinc/85/26/76/431852676.db2.gz ROMXXRKEXKTKDV-FUHWJXTLSA-N 0 3 324.428 3.320 10 30 DGEEHN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000041480414 431859834 /nfs/dbraw/zinc/85/98/34/431859834.db2.gz NUGZNQDWUSCTMT-KCXAZCMYSA-N 0 3 319.364 3.166 10 30 DGEEHN CC(C)Cc1ccc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122321557 431826388 /nfs/dbraw/zinc/82/63/88/431826388.db2.gz WXKBPIBXUYCVPK-JKSUJKDBSA-N 0 3 315.461 3.296 10 30 DGEEHN COc1cc(C#N)ccc1CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000128072031 431987262 /nfs/dbraw/zinc/98/72/62/431987262.db2.gz KSGJZOVJEYSEDQ-IAGOWNOFSA-N 0 3 310.401 3.037 10 30 DGEEHN O[C@]12CCCC[C@H]1CN(CC#Cc1ccc(Cl)cc1)CC2 ZINC000248185593 432274248 /nfs/dbraw/zinc/27/42/48/432274248.db2.gz XGIGOGZCNRTDIX-WMZOPIPTSA-N 0 3 303.833 3.319 10 30 DGEEHN C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000057869592 431994116 /nfs/dbraw/zinc/99/41/16/431994116.db2.gz DKAGDJFPLVILDJ-MRXNPFEDSA-N 0 3 319.424 3.008 10 30 DGEEHN CC(C)[C@H](CN(C)Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000184536659 432403442 /nfs/dbraw/zinc/40/34/42/432403442.db2.gz VVKSIHDHRBMDHY-IBGZPJMESA-N 0 3 311.429 3.397 10 30 DGEEHN C=CCN1CCC(NC(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC000176301390 432508851 /nfs/dbraw/zinc/50/88/51/432508851.db2.gz BRCWNKPABXHFCV-UHFFFAOYSA-N 0 3 322.399 3.054 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194235535 432535420 /nfs/dbraw/zinc/53/54/20/432535420.db2.gz KPRJIRHARLSSJL-UHFFFAOYSA-N 0 3 312.417 3.330 10 30 DGEEHN Cc1nccn1C[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000177372725 432617411 /nfs/dbraw/zinc/61/74/11/432617411.db2.gz ULFJKPDFUMEDCL-SFHVURJKSA-N 0 3 313.832 3.361 10 30 DGEEHN C=CC[C@H](CO)N[C@H](C)c1ccc(OC)cc1Br ZINC000186703772 432624298 /nfs/dbraw/zinc/62/42/98/432624298.db2.gz CENQUQXTHZCYQN-GHMZBOCLSA-N 0 3 314.223 3.045 10 30 DGEEHN CCOCCN1CCN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1CC ZINC000187682406 432677049 /nfs/dbraw/zinc/67/70/49/432677049.db2.gz IMOYDXHVQMQJGL-LPHOPBHVSA-N 0 3 315.461 3.052 10 30 DGEEHN CC(C)Cc1ncc(CNCCOc2ccc(C#N)cc2)s1 ZINC000162683999 432830618 /nfs/dbraw/zinc/83/06/18/432830618.db2.gz AOAAPYRORFWELF-UHFFFAOYSA-N 0 3 315.442 3.382 10 30 DGEEHN CSCc1cccc(CNCc2cnc3ccc(C#N)cn23)c1 ZINC000189478627 432788847 /nfs/dbraw/zinc/78/88/47/432788847.db2.gz LMNWCMLZHGOLEV-UHFFFAOYSA-N 0 3 322.437 3.359 10 30 DGEEHN Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2C)N(C)C)cc1 ZINC000163375379 432851445 /nfs/dbraw/zinc/85/14/45/432851445.db2.gz BGSQYFNURFLWNQ-LJQANCHMSA-N 0 3 321.424 3.208 10 30 DGEEHN Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000330235243 432898403 /nfs/dbraw/zinc/89/84/03/432898403.db2.gz TUUAUIYWCPUBTH-HZUKXOBISA-N 0 3 306.381 3.268 10 30 DGEEHN COc1ccc(C)cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330251644 432899413 /nfs/dbraw/zinc/89/94/13/432899413.db2.gz HUZDEOUXYNMGSG-QEORTHHSSA-N 0 3 318.417 3.137 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000330272737 432902432 /nfs/dbraw/zinc/90/24/32/432902432.db2.gz YBNJWRDYMGCSLI-LNHVQRHZSA-N 0 3 310.344 3.098 10 30 DGEEHN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCCN1C1CCCC1 ZINC000330300485 432903888 /nfs/dbraw/zinc/90/38/88/432903888.db2.gz NFIQCYYYZXJDPN-XIRDDKMYSA-N 0 3 308.466 3.291 10 30 DGEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1(COC)CCC1 ZINC000361289217 433086530 /nfs/dbraw/zinc/08/65/30/433086530.db2.gz PREFOMBOZKDFRJ-UHFFFAOYSA-N 0 3 304.390 3.400 10 30 DGEEHN C=CCC[C@H](CO)N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453352107 433113652 /nfs/dbraw/zinc/11/36/52/433113652.db2.gz KVXXRYHFZADFAR-QAPCUYQASA-N 0 3 311.429 3.166 10 30 DGEEHN C=CCC[C@H](CO)N[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453355469 433117459 /nfs/dbraw/zinc/11/74/59/433117459.db2.gz MHPOHUBBICXNDU-DOMZBBRYSA-N 0 3 314.351 3.395 10 30 DGEEHN C[C@H](NC[C@H]1CCCCN1C1CC1)c1ccc(C#N)cc1F ZINC000447600484 433245923 /nfs/dbraw/zinc/24/59/23/433245923.db2.gz MGWNNLHOUNUMFY-XJKSGUPXSA-N 0 3 301.409 3.365 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000425601707 433317400 /nfs/dbraw/zinc/31/74/00/433317400.db2.gz GUWDNWAQJICMMA-WBVHZDCISA-N 0 3 300.446 3.498 10 30 DGEEHN C=CCCCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000447972360 433339135 /nfs/dbraw/zinc/33/91/35/433339135.db2.gz QFPWLBFCCDVVJH-OAHLLOKOSA-N 0 3 309.479 3.396 10 30 DGEEHN C=CCN(CC=C)[C@H](CNCc1nn(C)c(C)c1Cl)C(C)C ZINC000421335870 433484404 /nfs/dbraw/zinc/48/44/04/433484404.db2.gz UVVWNJPBXPMLLJ-MRXNPFEDSA-N 0 3 324.900 3.170 10 30 DGEEHN C[C@@H](CN[C@@H](C)c1cccc(C#N)c1)N(C)C(=O)OC(C)(C)C ZINC000283355958 433710041 /nfs/dbraw/zinc/71/00/41/433710041.db2.gz MUDDAKPQBDIMHS-KBPBESRZSA-N 0 3 317.433 3.464 10 30 DGEEHN N#Cc1ccc(CN2CCC(COc3ccccn3)CC2)cc1 ZINC000363300143 434018549 /nfs/dbraw/zinc/01/85/49/434018549.db2.gz YNZCTVJVABHQKK-UHFFFAOYSA-N 0 3 307.397 3.244 10 30 DGEEHN C=CCC[C@H](O)CN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000305059915 434028692 /nfs/dbraw/zinc/02/86/92/434028692.db2.gz GGAHPCBESOPSCJ-WMLDXEAASA-N 0 3 305.418 3.168 10 30 DGEEHN C=C(C)COc1cc(CN[C@@H]2CCOC2(C)C)ccc1OC ZINC000294706899 434128404 /nfs/dbraw/zinc/12/84/04/434128404.db2.gz DLBKIBIYZUCPOU-QGZVFWFLSA-N 0 3 305.418 3.307 10 30 DGEEHN C=CCC[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1ccco1 ZINC000364970336 434284058 /nfs/dbraw/zinc/28/40/58/434284058.db2.gz KOTMQBTXKIMGGW-WBVHZDCISA-N 0 3 314.433 3.279 10 30 DGEEHN C=CCC[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1)c1ccco1 ZINC000364970334 434284210 /nfs/dbraw/zinc/28/42/10/434284210.db2.gz KOTMQBTXKIMGGW-NVXWUHKLSA-N 0 3 314.433 3.279 10 30 DGEEHN Cc1nccn1C[C@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358567096 434399545 /nfs/dbraw/zinc/39/95/45/434399545.db2.gz JFCNZTRDDVYUKH-CHWSQXEVSA-N 0 3 300.381 3.189 10 30 DGEEHN C[C@@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(C#N)cc1F ZINC000358580437 434400217 /nfs/dbraw/zinc/40/02/17/434400217.db2.gz XVHDNNIHLIJDOE-UKRRQHHQSA-N 0 3 318.392 3.076 10 30 DGEEHN Cc1nccn1C[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358567100 434400331 /nfs/dbraw/zinc/40/03/31/434400331.db2.gz JFCNZTRDDVYUKH-STQMWFEESA-N 0 3 300.381 3.189 10 30 DGEEHN C=CCOc1ccc(C(=O)NC[C@H](N)c2ccccc2CC)cc1 ZINC000423975296 434595329 /nfs/dbraw/zinc/59/53/29/434595329.db2.gz LSVWYCMFXOPEJW-IBGZPJMESA-N 0 3 324.424 3.244 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1cc(Br)ccc1F ZINC000424172392 434643528 /nfs/dbraw/zinc/64/35/28/434643528.db2.gz MBDHVEIYKZJWQM-HZMBPMFUSA-N 0 3 314.198 3.269 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1cccc(F)c1Br ZINC000424171136 434644879 /nfs/dbraw/zinc/64/48/79/434644879.db2.gz LITISNNJMWJJNJ-GWCFXTLKSA-N 0 3 314.198 3.269 10 30 DGEEHN C=CCN1CC[C@@H](N2CC[C@@H](c3ccc(F)cc3)C2(C)C)C1=O ZINC000528743949 435027844 /nfs/dbraw/zinc/02/78/44/435027844.db2.gz IJGMXWWAFYDYKP-DLBZAZTESA-N 0 3 316.420 3.181 10 30 DGEEHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)C12CCCC2 ZINC000574681675 434996116 /nfs/dbraw/zinc/99/61/16/434996116.db2.gz XKTWBDKDAWBMTM-MSOLQXFVSA-N 0 3 314.429 3.394 10 30 DGEEHN C=CCCN(C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000466765090 435093460 /nfs/dbraw/zinc/09/34/60/435093460.db2.gz FAVCWKUGFNZULY-LJQANCHMSA-N 0 3 315.461 3.259 10 30 DGEEHN C=CCOCCN1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000559154799 435122883 /nfs/dbraw/zinc/12/28/83/435122883.db2.gz GGMATLSKQCTPKY-JYJNAYRXSA-N 0 3 309.450 3.164 10 30 DGEEHN C=C[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1CN)c1ccccc1 ZINC000565040863 435274997 /nfs/dbraw/zinc/27/49/97/435274997.db2.gz PWXMRTWHGZBNTI-JXFKEZNVSA-N 0 3 320.436 3.431 10 30 DGEEHN C=CCN(C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000536742410 435409238 /nfs/dbraw/zinc/40/92/38/435409238.db2.gz KHKAZPZBLCARKJ-GFCCVEGCSA-N 0 3 316.228 3.384 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC1(C)C)C(C)C ZINC000480650383 435387596 /nfs/dbraw/zinc/38/75/96/435387596.db2.gz RQRQPFCIBPDVCJ-MRXNPFEDSA-N 0 3 307.482 3.269 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000519301573 435677413 /nfs/dbraw/zinc/67/74/13/435677413.db2.gz LOFREVMODZPNFK-IAGOWNOFSA-N 0 3 307.482 3.151 10 30 DGEEHN C=CCNC(=O)CNC/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000571318855 435696202 /nfs/dbraw/zinc/69/62/02/435696202.db2.gz KOBRBEKKPAQKBI-XYOKQWHBSA-N 0 3 312.335 3.001 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)c1sccc1F)C(C)C ZINC000559794067 332281790 /nfs/dbraw/zinc/28/17/90/332281790.db2.gz LFLGDBKFUQJOJW-AWEZNQCLSA-N 0 3 310.438 3.316 10 30 DGEEHN CCN1CCN(c2ccccc2N[C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185732722 333212856 /nfs/dbraw/zinc/21/28/56/333212856.db2.gz IMSXDYPJGHFJCP-IAGOWNOFSA-N 0 3 312.461 3.323 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000185053393 337201546 /nfs/dbraw/zinc/20/15/46/337201546.db2.gz QRAAFUGAUUFRGC-WMZOPIPTSA-N 0 3 300.446 3.370 10 30 DGEEHN C=CC[C@H](Cc1ccccc1)NC(=O)CCN(C)c1ccncc1 ZINC000583071474 337235675 /nfs/dbraw/zinc/23/56/75/337235675.db2.gz TZQSFGCMSVGDMD-GOSISDBHSA-N 0 3 323.440 3.212 10 30 DGEEHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(OCC)c(OC)cc1F ZINC000527701804 337757564 /nfs/dbraw/zinc/75/75/64/337757564.db2.gz AMWJCBBEGCLMAG-UGSOOPFHSA-N 0 3 323.408 3.304 10 30 DGEEHN CC[C@H](CC#N)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784818 337809937 /nfs/dbraw/zinc/80/99/37/337809937.db2.gz XZUATLFVBIFMDR-RBSFLKMASA-N 0 3 309.454 3.304 10 30 DGEEHN C=CCN1CC[C@H](N2CCCC[C@H]2CCc2ccccc2)C1=O ZINC000499594410 340040163 /nfs/dbraw/zinc/04/01/63/340040163.db2.gz SVYYRSWQXATZSL-OALUTQOASA-N 0 3 312.457 3.261 10 30 DGEEHN C=CCN1CCC(NC(=O)c2ccc(F)c(CSC)c2)CC1 ZINC000174200397 340383942 /nfs/dbraw/zinc/38/39/42/340383942.db2.gz PCMQSMCZCIXIAK-UHFFFAOYSA-N 0 3 322.449 3.069 10 30 DGEEHN C[C@H](NCc1ccc(CO)c(F)c1)c1ccc(OCC#N)cc1 ZINC000181565742 533917540 /nfs/dbraw/zinc/91/75/40/533917540.db2.gz BXCXAFAWQQZDDT-ZDUSSCGKSA-N 0 3 314.360 3.071 10 30 DGEEHN C=CCCCNC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000458719460 534728017 /nfs/dbraw/zinc/72/80/17/534728017.db2.gz ILGDWXSIIFVSBV-MRXNPFEDSA-N 0 3 321.490 3.277 10 30 DGEEHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000318446087 534784601 /nfs/dbraw/zinc/78/46/01/534784601.db2.gz OWZQPKJOGIRRQU-JQHSSLGASA-N 0 3 302.393 3.213 10 30 DGEEHN C=CCOc1ccc(CN2CCC[C@]3(CCOC3)C2)cc1OC ZINC000449681300 534883365 /nfs/dbraw/zinc/88/33/65/534883365.db2.gz DNQUKZVSXZJBMG-IBGZPJMESA-N 0 3 317.429 3.263 10 30 DGEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@@H](C)C1 ZINC000352691733 526349528 /nfs/dbraw/zinc/34/95/28/526349528.db2.gz NDXZSUOLZPZXQE-GOEBONIOSA-N 0 3 304.390 3.398 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000341483289 526705528 /nfs/dbraw/zinc/70/55/28/526705528.db2.gz KBDYQNXKSCBCAO-WMZOPIPTSA-N 0 3 300.446 3.322 10 30 DGEEHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nccn1Cc1ccccc1 ZINC000435736573 526783580 /nfs/dbraw/zinc/78/35/80/526783580.db2.gz XZZIQJIAQVZFSA-MJGOQNOKSA-N 0 3 311.429 3.002 10 30 DGEEHN C=CC[C@H](CO)CN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358972676 527189275 /nfs/dbraw/zinc/18/92/75/527189275.db2.gz WUTGTBIDBZIRQT-MAUKXSAKSA-N 0 3 311.429 3.024 10 30 DGEEHN C=CC[C@H](CO)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000351574786 527209272 /nfs/dbraw/zinc/20/92/72/527209272.db2.gz PRQJVERAHSIDFQ-LJQANCHMSA-N 0 3 322.408 3.164 10 30 DGEEHN C=CCn1c(SC[C@@H](C)N(C)C)nnc1-c1ccoc1C ZINC000358864403 527339770 /nfs/dbraw/zinc/33/97/70/527339770.db2.gz URKGVQIQZDXSNE-LLVKDONJSA-N 0 3 306.435 3.075 10 30 DGEEHN C=CCCO[C@H](C)C(=O)N(CCN1CCCCCC1)C(C)C ZINC000345904069 527388968 /nfs/dbraw/zinc/38/89/68/527388968.db2.gz JVNAMDQEKKGNSI-QGZVFWFLSA-N 0 3 310.482 3.081 10 30 DGEEHN C=CCC[C@H](NCCC1CCS(=O)(=O)CC1)c1ccco1 ZINC000353634506 527484056 /nfs/dbraw/zinc/48/40/56/527484056.db2.gz WFGSBAWCUWTMDX-HNNXBMFYSA-N 0 3 311.447 3.091 10 30 DGEEHN CCN1CCC[C@H](Nc2cccc(Br)c2C#N)C1 ZINC000168495242 529091948 /nfs/dbraw/zinc/09/19/48/529091948.db2.gz KYRGRUVHIZDSQR-NSHDSACASA-N 0 3 308.223 3.217 10 30 DGEEHN CC(C)Nc1ncccc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000329622218 546488409 /nfs/dbraw/zinc/48/84/09/546488409.db2.gz HEMPHQLLFYGLQK-AWEZNQCLSA-N 0 3 316.449 3.223 10 30 DGEEHN CN(Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCOC1 ZINC000735310063 574696899 /nfs/dbraw/zinc/69/68/99/574696899.db2.gz YXHKQSBBIDWJDB-CYBMUJFWSA-N 0 3 308.809 3.101 10 30 DGEEHN C=CCCC(=O)OC[C@H]1CCN(C)[C@H]1c1ccc(OC)cc1 ZINC000735902270 574721221 /nfs/dbraw/zinc/72/12/21/574721221.db2.gz DHKHRWYYYFAOHK-QAPCUYQASA-N 0 3 303.402 3.197 10 30 DGEEHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000119301591 618624326 /nfs/dbraw/zinc/62/43/26/618624326.db2.gz QIPRWKAPKFRGTF-CVEARBPZSA-N 0 3 306.409 3.142 10 30 DGEEHN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(OCC#N)cc1 ZINC000183475497 660118403 /nfs/dbraw/zinc/11/84/03/660118403.db2.gz RVDDENHJHMCLBH-UHFFFAOYSA-N 0 3 311.341 3.095 10 30 DGEEHN C=CCC[C@H](NCc1c(C)nn(CCO)c1C)c1ccccc1 ZINC000158848858 1100828691 /nfs/dbraw/zinc/82/86/91/1100828691.db2.gz RYSXANVVWVDHOI-IBGZPJMESA-N 0 3 313.445 3.289 10 30 DGEEHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000090107666 185282695 /nfs/dbraw/zinc/28/26/95/185282695.db2.gz RDLZFPRPMDMPLJ-ZDUSSCGKSA-N 0 3 310.353 3.017 10 30 DGEEHN Cc1cccc(NC[C@@H]2CCN(Cc3cc(C#N)cs3)C2)n1 ZINC000092813381 185343261 /nfs/dbraw/zinc/34/32/61/185343261.db2.gz BHTXCKGQCNTSFI-AWEZNQCLSA-N 0 3 312.442 3.257 10 30 DGEEHN COc1ccccc1N1CC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1 ZINC000181890732 199364511 /nfs/dbraw/zinc/36/45/11/199364511.db2.gz ZPMGEBGMJWNNNW-CRAIPNDOSA-N 0 3 321.424 3.496 10 30 DGEEHN CC(C)N1C[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000164714994 432051151 /nfs/dbraw/zinc/05/11/51/432051151.db2.gz OTEJHHABEZHKNI-NHYWBVRUSA-N 0 3 320.824 3.062 10 30 DGEEHN C=C(C)COc1cc(CN2CC[C@@H](CO)[C@H]2CC)ccc1OC ZINC000449424478 240196152 /nfs/dbraw/zinc/19/61/52/240196152.db2.gz PDPWAYSPEHBYAY-DLBZAZTESA-N 0 3 319.445 3.243 10 30 DGEEHN CCN(Cc1ccc(C#N)o1)CC1CCN(c2ccccn2)CC1 ZINC000093564655 193269834 /nfs/dbraw/zinc/26/98/34/193269834.db2.gz WRBXTFRCTSFXFZ-UHFFFAOYSA-N 0 3 324.428 3.285 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)CC2CC(OC(C)(C)C)C2)CC1 ZINC000488848108 245240347 /nfs/dbraw/zinc/24/03/47/245240347.db2.gz BGTNCVUULUUZEG-UHFFFAOYSA-N 0 3 322.493 3.127 10 30 DGEEHN N#Cc1ccc(Cl)cc1NCCCNCc1cccnc1 ZINC000063197162 184277923 /nfs/dbraw/zinc/27/79/23/184277923.db2.gz RTEDRUVMCRJECC-UHFFFAOYSA-N 0 3 300.793 3.198 10 30 DGEEHN CCN(CCc1nccs1)Cc1ccc(OC)c(C#N)c1 ZINC000159247194 197338907 /nfs/dbraw/zinc/33/89/07/197338907.db2.gz KTGMPUAKKAIGPL-UHFFFAOYSA-N 0 3 301.415 3.088 10 30 DGEEHN C=CCOC[C@@H]1CC[C@H]2[C@@H](CCN2Cc2ccc(F)cc2)O1 ZINC000503719103 257208709 /nfs/dbraw/zinc/20/87/09/257208709.db2.gz XVNCDTMQCTXAGO-OKZBNKHCSA-N 0 3 305.393 3.150 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000122843016 195509588 /nfs/dbraw/zinc/50/95/88/195509588.db2.gz AVLFBJPFLVGYCU-UHFFFAOYSA-N 0 3 313.445 3.059 10 30 DGEEHN C=CCCOCCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000090883502 400081065 /nfs/dbraw/zinc/08/10/65/400081065.db2.gz BZNDVMDBLDJUDA-ZDUSSCGKSA-N 0 3 320.824 3.164 10 30 DGEEHN N#CCCCN(CC[C@@H](O)C(F)(F)F)Cc1ccccc1 ZINC000038958087 400397251 /nfs/dbraw/zinc/39/72/51/400397251.db2.gz RNJTTZITQKQIRH-CQSZACIVSA-N 0 3 300.324 3.106 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CCCCC[C@H]2CC)CC1 ZINC000120229696 400444357 /nfs/dbraw/zinc/44/43/57/400444357.db2.gz GJKHONHZVIVUBG-QGZVFWFLSA-N 0 3 307.482 3.391 10 30 DGEEHN N#CCc1ccc(CN2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000612104117 400492810 /nfs/dbraw/zinc/49/28/10/400492810.db2.gz PKTYLJAVGNAKDA-KRWDZBQOSA-N 0 3 321.428 3.059 10 30 DGEEHN C=CC(C)(C)CCNCc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602721365 400550847 /nfs/dbraw/zinc/55/08/47/400550847.db2.gz QFXIUPKKCYFGNR-UHFFFAOYSA-N 0 3 307.438 3.067 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(C)[nH]c1C)C(C)C ZINC000603287859 400664378 /nfs/dbraw/zinc/66/43/78/400664378.db2.gz LAAORIAIPJNSHP-KRWDZBQOSA-N 0 3 303.450 3.060 10 30 DGEEHN CC(C#N)C(=O)c1cc(Cl)ccc1I ZINC000235071845 400974560 /nfs/dbraw/zinc/97/45/60/400974560.db2.gz CPHOUPZREKPJSY-LURJTMIESA-N 0 3 319.529 3.287 10 30 DGEEHN C=CCCOc1ccccc1-c1ccc(N2CCNCC2)nc1 ZINC000629736798 401067443 /nfs/dbraw/zinc/06/74/43/401067443.db2.gz WYXFUEIHNPVKPH-UHFFFAOYSA-N 0 3 309.413 3.113 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccc(OCC)cc1 ZINC000630023955 401159714 /nfs/dbraw/zinc/15/97/14/401159714.db2.gz QHHSVUJFMBKHRC-HOTGVXAUSA-N 0 3 316.445 3.325 10 30 DGEEHN C=CCN1CCC(NC(=O)CCCc2cc(F)ccc2F)CC1 ZINC000090554038 401268755 /nfs/dbraw/zinc/26/87/55/401268755.db2.gz NMBMAPAWBWASRX-UHFFFAOYSA-N 0 3 322.399 3.054 10 30 DGEEHN C=CCOCCN[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982870 401271925 /nfs/dbraw/zinc/27/19/25/401271925.db2.gz VZVZJZWEGQJOGI-HNNXBMFYSA-N 0 3 317.260 3.388 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N(C)C[C@@H](C)C(C)(C)C)CC1 ZINC000634848248 401359154 /nfs/dbraw/zinc/35/91/54/401359154.db2.gz ZKYOGNIQTBKQBX-OAHLLOKOSA-N 0 3 309.498 3.351 10 30 DGEEHN C=CCCC(C)(C)CNCc1ccc(S(C)(=O)=O)s1 ZINC000631216799 401428881 /nfs/dbraw/zinc/42/88/81/401428881.db2.gz AUMCEKPPZMKUBB-UHFFFAOYSA-N 0 3 301.477 3.234 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000623597073 401552819 /nfs/dbraw/zinc/55/28/19/401552819.db2.gz VUTQUODANHDPTL-SJORKVTESA-N 0 3 315.461 3.115 10 30 DGEEHN N#Cc1cc(Cl)ccc1CN1CCC(c2ccn[nH]2)CC1 ZINC000186913410 165066137 /nfs/dbraw/zinc/06/61/37/165066137.db2.gz PZFUUDLZQZMADT-UHFFFAOYSA-N 0 3 300.793 3.314 10 30 DGEEHN CC1(C)CN(C[C@H](O)c2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000190960541 165221461 /nfs/dbraw/zinc/22/14/61/165221461.db2.gz UMWNXHDFSLCYFX-KRWDZBQOSA-N 0 3 314.429 3.015 10 30 DGEEHN C[C@H](CCO)N(Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192145056 165282976 /nfs/dbraw/zinc/28/29/76/165282976.db2.gz OFQUDCBMSXLXRX-OAHLLOKOSA-N 0 3 312.388 3.470 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1c(F)cccc1F ZINC000330273582 228986695 /nfs/dbraw/zinc/98/66/95/228986695.db2.gz ZKHGQQPVASDMMY-RJIBLYRGSA-N 0 3 310.344 3.098 10 30 DGEEHN Cc1cc(C#N)nc(N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)n1 ZINC000376458472 267318393 /nfs/dbraw/zinc/31/83/93/267318393.db2.gz BFOHOLOTBPWLQF-NVXWUHKLSA-N 0 3 321.428 3.122 10 30 DGEEHN C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1n1ccnc1 ZINC000245717580 274300813 /nfs/dbraw/zinc/30/08/13/274300813.db2.gz UHENEZVIMGOORC-CRAIPNDOSA-N 0 3 313.832 3.471 10 30 DGEEHN C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000007738108 431362615 /nfs/dbraw/zinc/36/26/15/431362615.db2.gz AKGKOJXDNANDPI-HYVNUMGLSA-N 0 3 311.429 3.397 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000076735861 431560022 /nfs/dbraw/zinc/56/00/22/431560022.db2.gz CCCKFQVUVPLRJR-CQSZACIVSA-N 0 3 322.424 3.079 10 30 DGEEHN N#Cc1ccc(N2CCCN(C3CC3)CC2)c(C(F)(F)F)c1 ZINC000077939213 431629763 /nfs/dbraw/zinc/62/97/63/431629763.db2.gz SVVXUXSVUTWNQY-UHFFFAOYSA-N 0 3 309.335 3.252 10 30 DGEEHN Cc1ccc(C#N)cc1NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000119653193 431713030 /nfs/dbraw/zinc/71/30/30/431713030.db2.gz MAUYSPAEFWAYEC-SFHVURJKSA-N 0 3 322.412 3.291 10 30 DGEEHN C=CCN(Cc1cccs1)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000121667483 431803588 /nfs/dbraw/zinc/80/35/88/431803588.db2.gz WKEVQCCVFMSATM-OAHLLOKOSA-N 0 3 323.506 3.422 10 30 DGEEHN C[C@@H](C#N)Oc1ccc(CN2CCC(Cn3cccn3)CC2)cc1 ZINC000122072438 431810625 /nfs/dbraw/zinc/81/06/25/431810625.db2.gz LMXWLOXEYKPDOS-INIZCTEOSA-N 0 3 324.428 3.086 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000128353344 431991986 /nfs/dbraw/zinc/99/19/86/431991986.db2.gz BKYTWFNTZPIRDG-AEFFLSMTSA-N 0 3 315.461 3.115 10 30 DGEEHN O[C@@]12CCCC[C@H]1CN(CC#Cc1ccc(Cl)cc1)CC2 ZINC000248185590 432273411 /nfs/dbraw/zinc/27/34/11/432273411.db2.gz XGIGOGZCNRTDIX-FUHWJXTLSA-N 0 3 303.833 3.319 10 30 DGEEHN CCCCNC(=O)[C@H]1CC[C@H](C)N(CC#Cc2ccccc2)C1 ZINC000191964311 432318448 /nfs/dbraw/zinc/31/84/48/432318448.db2.gz KAEJUOXVNQHKIX-HKUYNNGSSA-N 0 3 312.457 3.055 10 30 DGEEHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC#Cc2ccccc2)C1 ZINC000191964326 432319031 /nfs/dbraw/zinc/31/90/31/432319031.db2.gz KAEJUOXVNQHKIX-MJGOQNOKSA-N 0 3 312.457 3.055 10 30 DGEEHN CCN(C[C@H]1CCN(CC#Cc2ccccc2)C1)CC(F)(F)F ZINC000192055379 432329484 /nfs/dbraw/zinc/32/94/84/432329484.db2.gz NRDVCLKMXIWRAO-QGZVFWFLSA-N 0 3 324.390 3.244 10 30 DGEEHN OCCCN(CC#Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000192059065 432329559 /nfs/dbraw/zinc/32/95/59/432329559.db2.gz MHFPWCHXPRSPSX-OAQYLSRUSA-N 0 3 305.421 3.410 10 30 DGEEHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000248969303 432331126 /nfs/dbraw/zinc/33/11/26/432331126.db2.gz SIEVJKZASFFMHE-WBVHZDCISA-N 0 3 306.413 3.448 10 30 DGEEHN N#Cc1ccc(OCCNCc2ccccc2OC(F)F)cc1 ZINC000174557734 432356237 /nfs/dbraw/zinc/35/62/37/432356237.db2.gz GATBVQNWDPPEFL-UHFFFAOYSA-N 0 3 318.323 3.328 10 30 DGEEHN C=CCOc1cccc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000175591362 432450889 /nfs/dbraw/zinc/45/08/89/432450889.db2.gz ZNLIBEYENNAQIW-HOCLYGCPSA-N 0 3 317.433 3.198 10 30 DGEEHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000192867469 432423790 /nfs/dbraw/zinc/42/37/90/432423790.db2.gz RHSHPHAUQQZKBS-JTQLQIEISA-N 0 3 305.428 3.361 10 30 DGEEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000176267620 432505282 /nfs/dbraw/zinc/50/52/82/432505282.db2.gz FIUKJFHNMTYJDK-CQSZACIVSA-N 0 3 320.824 3.160 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000185838092 432538510 /nfs/dbraw/zinc/53/85/10/432538510.db2.gz ANBCEPVDQXVDGK-BQFCYCMXSA-N 0 3 300.446 3.368 10 30 DGEEHN C=CC[C@H](CO)N[C@@H](C)c1cc(Br)ccc1F ZINC000186708338 432623997 /nfs/dbraw/zinc/62/39/97/432623997.db2.gz PNNNQKPXUOYZDX-GXSJLCMTSA-N 0 3 302.187 3.176 10 30 DGEEHN CC1(C)CC[C@@H](CNCc2cccc(OCCCC#N)c2)O1 ZINC000189720718 432813239 /nfs/dbraw/zinc/81/32/39/432813239.db2.gz YUNOVBDQIAYXOY-KRWDZBQOSA-N 0 3 302.418 3.416 10 30 DGEEHN C=C(CNC(=O)c1ccccc1OCCN(C)C)c1ccccc1 ZINC000288271810 432891034 /nfs/dbraw/zinc/89/10/34/432891034.db2.gz RURZUSGANFVNTR-UHFFFAOYSA-N 0 3 324.424 3.070 10 30 DGEEHN Cc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000330246216 432899761 /nfs/dbraw/zinc/89/97/61/432899761.db2.gz YCGCJZLBJAPAEZ-KNXALSJPSA-N 0 3 306.381 3.268 10 30 DGEEHN Cc1ccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)c(C)c1 ZINC000330271696 432900591 /nfs/dbraw/zinc/90/05/91/432900591.db2.gz WIDCWWBNHQJZDE-IAOVAPTHSA-N 0 3 302.418 3.437 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000330269144 432901380 /nfs/dbraw/zinc/90/13/80/432901380.db2.gz RSLNMWACECQGSQ-FGEZKYSXSA-N 0 3 310.344 3.098 10 30 DGEEHN COc1cc(C)c(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000447244078 433174319 /nfs/dbraw/zinc/17/43/19/433174319.db2.gz KEXHLVVVVZQRRU-GFCCVEGCSA-N 0 3 316.382 3.267 10 30 DGEEHN C=CCCN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374826571 433288646 /nfs/dbraw/zinc/28/86/46/433288646.db2.gz ZCKOUQNQTHNNRV-HNNXBMFYSA-N 0 3 316.449 3.294 10 30 DGEEHN C=CCCCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000447961237 433335117 /nfs/dbraw/zinc/33/51/17/433335117.db2.gz AWCOPVNTMBHKER-INIZCTEOSA-N 0 3 315.461 3.477 10 30 DGEEHN C=CCCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000447990466 433341176 /nfs/dbraw/zinc/34/11/76/433341176.db2.gz RUJGXQFEAJCSTC-DOTOQJQBSA-N 0 3 301.434 3.087 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@]3(C2)CCCOC3)cc1OC ZINC000375301793 433417274 /nfs/dbraw/zinc/41/72/74/433417274.db2.gz HZTDRHDOMWOJTD-IBGZPJMESA-N 0 3 317.429 3.263 10 30 DGEEHN N#Cc1ccc(NC[C@H]2CCCCN2Cc2ccccc2)nc1 ZINC000301102907 433417595 /nfs/dbraw/zinc/41/75/95/433417595.db2.gz OUDUGUMDFZFYEZ-GOSISDBHSA-N 0 3 306.413 3.420 10 30 DGEEHN CC(C)CCN1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301328347 433510657 /nfs/dbraw/zinc/51/06/57/433510657.db2.gz AFZGXSJGVKGBRY-UHFFFAOYSA-N 0 3 308.429 3.275 10 30 DGEEHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1cnc(C#N)cn1 ZINC000375696128 433529334 /nfs/dbraw/zinc/52/93/34/433529334.db2.gz GSDFWODALJDWMX-QGZVFWFLSA-N 0 3 321.428 3.061 10 30 DGEEHN N#Cc1cccc(NC[C@@H]2CCCCN2Cc2ccccc2)n1 ZINC000301296028 433493126 /nfs/dbraw/zinc/49/31/26/433493126.db2.gz XSMLIQKMMCCIPD-SFHVURJKSA-N 0 3 306.413 3.420 10 30 DGEEHN N#Cc1ccc(NC[C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000301535840 433599666 /nfs/dbraw/zinc/59/96/66/433599666.db2.gz TYZLEFWBKGIGLU-LJQANCHMSA-N 0 3 306.413 3.420 10 30 DGEEHN C=CCOc1ccccc1CNC[C@H](CO)c1ccc(F)cc1 ZINC000414563692 433723373 /nfs/dbraw/zinc/72/33/73/433723373.db2.gz UTOBKXNPTWRFPY-QGZVFWFLSA-N 0 3 315.388 3.256 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)[C@H]2C2CC2)CC1 ZINC000378049970 434064719 /nfs/dbraw/zinc/06/47/19/434064719.db2.gz GVXSNZKVXRSBID-QGZVFWFLSA-N 0 3 317.477 3.001 10 30 DGEEHN C[C@H]1CCCN1CC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328614133 434287954 /nfs/dbraw/zinc/28/79/54/434287954.db2.gz VLWAZIDSHKUWRZ-YXJHDRRASA-N 0 3 302.418 3.205 10 30 DGEEHN CC(=O)Nc1ccn([C@H]2CCN(Cc3cc(C)oc3C)C2)n1 ZINC000328629536 434294060 /nfs/dbraw/zinc/29/40/60/434294060.db2.gz OXPDBTJAQNYYGQ-HNNXBMFYSA-N 0 3 302.378 3.148 10 30 DGEEHN C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000358949501 434410128 /nfs/dbraw/zinc/41/01/28/434410128.db2.gz HGLAVISDFJGZOZ-ZBFHGGJFSA-N 0 3 317.481 3.041 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(OC)c(OC)c1Cl ZINC000424176889 434645973 /nfs/dbraw/zinc/64/59/73/434645973.db2.gz SCOMWFWYFOPUSQ-AAEUAGOBSA-N 0 3 311.809 3.038 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000424297536 434683781 /nfs/dbraw/zinc/68/37/81/434683781.db2.gz QWCKNYFXUFLHEF-ZYSHUDEJSA-N 0 3 312.388 3.491 10 30 DGEEHN C=CCn1c(SC[C@H](C)N(C)C)nnc1-c1cccc(C)c1 ZINC000460451400 434758247 /nfs/dbraw/zinc/75/82/47/434758247.db2.gz POHJDSVOQPDYDO-AWEZNQCLSA-N 0 3 316.474 3.482 10 30 DGEEHN C=CCC[C@@H](C(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000463777711 434968915 /nfs/dbraw/zinc/96/89/15/434968915.db2.gz VIPLTQLLCORADJ-RBUKOAKNSA-N 0 3 312.457 3.432 10 30 DGEEHN C=CCN1CC[C@@H](N2CC[C@@H](c3cccc(F)c3)C2(C)C)C1=O ZINC000528773083 435029178 /nfs/dbraw/zinc/02/91/78/435029178.db2.gz GTGBLLFWTUCCIU-DLBZAZTESA-N 0 3 316.420 3.181 10 30 DGEEHN C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000466321867 435072396 /nfs/dbraw/zinc/07/23/96/435072396.db2.gz AQDMEOZDZYXFDF-ZWKOTPCHSA-N 0 3 315.461 3.257 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H](CO)Cc1ccccc1C ZINC000466918506 435099958 /nfs/dbraw/zinc/09/99/58/435099958.db2.gz ZNTLPRVPTAZXGS-LJQANCHMSA-N 0 3 311.425 3.253 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@H](C)[C@@H]2CC3CCC2CC3)CC1 ZINC000566323677 435286060 /nfs/dbraw/zinc/28/60/60/435286060.db2.gz YSHZNZUEWJQNFL-IDMDMSBLSA-N 0 3 319.493 3.151 10 30 DGEEHN C=CCNC(=O)N(CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000513897021 435404593 /nfs/dbraw/zinc/40/45/93/435404593.db2.gz JFDILVMZABQXIK-GOSISDBHSA-N 0 3 315.461 3.259 10 30 DGEEHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000537186138 435428086 /nfs/dbraw/zinc/42/80/86/435428086.db2.gz IZFHEIHEYQHDHY-JQHSSLGASA-N 0 3 315.461 3.476 10 30 DGEEHN COc1ccc(CNCCOc2ccc(C#N)cc2)cc1Cl ZINC000174559873 312764154 /nfs/dbraw/zinc/76/41/54/312764154.db2.gz CTIJCDPCDVUPFQ-UHFFFAOYSA-N 0 3 316.788 3.389 10 30 DGEEHN N#Cc1csc(CNCCc2csc(N3CCCC3)n2)c1 ZINC000177703230 312783421 /nfs/dbraw/zinc/78/34/21/312783421.db2.gz OLQANYBODPFPFZ-UHFFFAOYSA-N 0 3 318.471 3.009 10 30 DGEEHN C[C@H](NC[C@@H](O)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000543416412 314133149 /nfs/dbraw/zinc/13/31/49/314133149.db2.gz KEWILPNYBWKLAE-YOEHRIQHSA-N 0 3 312.388 3.342 10 30 DGEEHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CC[C@@H]3C3CCC3)C2=O)cc1 ZINC000558695895 314859147 /nfs/dbraw/zinc/85/91/47/314859147.db2.gz IOVXNJSYOQZSCI-QYZOEREBSA-N 0 3 323.440 3.222 10 30 DGEEHN C=C(C)CN(C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000181273508 332189363 /nfs/dbraw/zinc/18/93/63/332189363.db2.gz JWRHYVOUVDCXHC-LLVKDONJSA-N 0 3 304.217 3.241 10 30 DGEEHN C=CCOc1ccc(CN[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000500249914 333236497 /nfs/dbraw/zinc/23/64/97/333236497.db2.gz MNWGPYXLGHJJJH-SFHVURJKSA-N 0 3 315.388 3.084 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542323640 341005219 /nfs/dbraw/zinc/00/52/19/341005219.db2.gz WDVZMYQQSNZPLV-PKOBYXMFSA-N 0 3 312.457 3.373 10 30 DGEEHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544192047 341074030 /nfs/dbraw/zinc/07/40/30/341074030.db2.gz WPYZPEXAVNUVAX-GOSISDBHSA-N 0 3 300.446 3.209 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Br)c(F)c1 ZINC000449547564 534573038 /nfs/dbraw/zinc/57/30/38/534573038.db2.gz IRMSXVCSDNWLIA-KGLIPLIRSA-N 0 3 314.198 3.411 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000449549214 534576257 /nfs/dbraw/zinc/57/62/57/534576257.db2.gz VSUBPWOLIGLDOC-VMGRFDJRSA-N 0 3 318.417 3.038 10 30 DGEEHN C=CCN1CCC(Nc2nc(C)c(CC(C)C)c(C)n2)CC1 ZINC000431805985 526453824 /nfs/dbraw/zinc/45/38/24/526453824.db2.gz YIHFUFRFTGAMQS-UHFFFAOYSA-N 0 3 302.466 3.354 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000343854289 526702994 /nfs/dbraw/zinc/70/29/94/526702994.db2.gz IRSIJMAKKNDWRK-OAHLLOKOSA-N 0 3 316.445 3.184 10 30 DGEEHN C=C(CC)CN1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000429584111 526850646 /nfs/dbraw/zinc/85/06/46/526850646.db2.gz DBXQWPWVDRUSOE-UHFFFAOYSA-N 0 3 308.447 3.465 10 30 DGEEHN C=C(CNC(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000352996586 526870733 /nfs/dbraw/zinc/87/07/33/526870733.db2.gz HZDPQPZLFKRMMD-CALCHBBNSA-N 0 3 315.461 3.262 10 30 DGEEHN C=CCOc1ccccc1CN1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000353913983 526931242 /nfs/dbraw/zinc/93/12/42/526931242.db2.gz JQUOQWHIPPVXIN-MRXNPFEDSA-N 0 3 315.413 3.027 10 30 DGEEHN C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415966987 527293117 /nfs/dbraw/zinc/29/31/17/527293117.db2.gz CSYIQMRJUFVDTN-LBPRGKRZSA-N 0 3 305.397 3.338 10 30 DGEEHN CC1=CCN(CCNCc2cccc(OCCCC#N)c2)CC1 ZINC000358127870 528118733 /nfs/dbraw/zinc/11/87/33/528118733.db2.gz CKMCPXKSESASCV-UHFFFAOYSA-N 0 3 313.445 3.111 10 30 DGEEHN CCOC[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177366674 529030231 /nfs/dbraw/zinc/03/02/31/529030231.db2.gz RITPJUJNXLSTEA-HNNXBMFYSA-N 0 3 311.347 3.415 10 30 DGEEHN C=CCCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736623472 574761531 /nfs/dbraw/zinc/76/15/31/574761531.db2.gz LDKVCUBGECKOOO-CYBMUJFWSA-N 0 3 313.426 3.371 10 30 DGEEHN C=CCOc1ccc(CNC[C@@](C)(O)c2cc(C)oc2C)cc1 ZINC000742374299 574993320 /nfs/dbraw/zinc/99/33/20/574993320.db2.gz MKRQCGPPKOLDTG-LJQANCHMSA-N 0 3 315.413 3.459 10 30 DGEEHN CCOc1ccc(CNCc2ccc(C#N)cc2F)c(O)c1 ZINC000729855314 575264503 /nfs/dbraw/zinc/26/45/03/575264503.db2.gz PMSUWJLCXILVNR-UHFFFAOYSA-N 0 3 300.333 3.091 10 30 DGEEHN Cc1ccc(N=NC(C)c2cccc(OCCN(C)C)c2)nc1 ZINC000727259263 576116267 /nfs/dbraw/zinc/11/62/67/576116267.db2.gz AACLTUDGTVJZKN-UHFFFAOYSA-N 0 3 312.417 3.167 10 30 DGEEHN N#CCOc1ccc(CNCc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000175992662 655690054 /nfs/dbraw/zinc/69/00/54/655690054.db2.gz VFYPBMHWWWFGJE-UHFFFAOYSA-N 0 3 318.380 3.269 10 30 DGEEHN C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000239274589 659992240 /nfs/dbraw/zinc/99/22/40/659992240.db2.gz AKGKOJXDNANDPI-PVAVHDDUSA-N 0 3 311.429 3.397 10 30 DGEEHN Fc1ccc(CNCCOC(F)(F)C(F)(F)F)cc1F ZINC000720260750 662307493 /nfs/dbraw/zinc/30/74/93/662307493.db2.gz MLAKLUFGMYVTPZ-UHFFFAOYSA-N 0 3 305.193 3.226 10 30 DGEEHN C#C[C@@](C)(CC)NCc1cc2c(c(Br)c1)OCO2 ZINC000384130690 1177086023 /nfs/dbraw/zinc/08/60/23/1177086023.db2.gz CEZISCFWVPSHEG-AWEZNQCLSA-N 0 3 310.191 3.069 10 30 DGEEHN C#CCOc1ccc(Br)cc1CNCCC(F)F ZINC000311226028 1199736544 /nfs/dbraw/zinc/73/65/44/1199736544.db2.gz QXZSTKVPOLKXSJ-UHFFFAOYSA-N 0 3 318.161 3.206 10 30 DGEEHN N#Cc1ccc(CN2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000585141541 1095040796 /nfs/dbraw/zinc/04/07/96/1095040796.db2.gz CPRZKUUMEGYTIY-UHFFFAOYSA-N 0 3 302.381 3.205 10 30 DGEEHN C#CCN(C)CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000328009267 1098016856 /nfs/dbraw/zinc/01/68/56/1098016856.db2.gz POYPWTXALFOKSX-UHFFFAOYSA-N 0 3 314.216 3.070 10 30 DGEEHN C=CCC[C@@H](NCc1c(C)nn(CCO)c1C)c1ccccc1 ZINC000158848988 1100828197 /nfs/dbraw/zinc/82/81/97/1100828197.db2.gz RYSXANVVWVDHOI-LJQANCHMSA-N 0 3 313.445 3.289 10 30 DGEEHN N#Cc1ccc(CN[C@H]2CCN(c3c(F)cccc3F)C2)cc1 ZINC000088755510 185264054 /nfs/dbraw/zinc/26/40/54/185264054.db2.gz FOBWMCJCKMSXDE-HNNXBMFYSA-N 0 3 313.351 3.205 10 30 DGEEHN CN(C)[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000170858065 432084740 /nfs/dbraw/zinc/08/47/40/432084740.db2.gz CSKZIGOXBNTUCZ-INIZCTEOSA-N 0 3 319.408 3.001 10 30 DGEEHN CCn1cnnc1C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000189879563 432100836 /nfs/dbraw/zinc/10/08/36/432100836.db2.gz CSMHFUJYKJARNF-AWEZNQCLSA-N 0 3 309.417 3.110 10 30 DGEEHN C=CCC1(CNCc2c(Br)cnn2C)CCCC1 ZINC000449604534 240316307 /nfs/dbraw/zinc/31/63/07/240316307.db2.gz KOAKKKXIEAGSBM-UHFFFAOYSA-N 0 3 312.255 3.409 10 30 DGEEHN C=C(C)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000455309605 242165002 /nfs/dbraw/zinc/16/50/02/242165002.db2.gz LIIGSURRBHXMJD-HOCLYGCPSA-N 0 3 321.490 3.396 10 30 DGEEHN CCS[C@@H]1CC[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000093868673 193321085 /nfs/dbraw/zinc/32/10/85/193321085.db2.gz SIFIHDYLNQSMIM-GDBMZVCRSA-N 0 3 314.458 3.312 10 30 DGEEHN Cc1cc(C#N)cc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000342847046 254064426 /nfs/dbraw/zinc/06/44/26/254064426.db2.gz GOPWYIAZNCTMBL-RDTXWAMCSA-N 0 3 306.413 3.194 10 30 DGEEHN Cc1cnn([C@@H]2CCCN(CCCOc3cccc(C#N)c3)C2)c1 ZINC000156232104 197097558 /nfs/dbraw/zinc/09/75/58/197097558.db2.gz DBWDGFNZHJVOLR-GOSISDBHSA-N 0 3 324.428 3.169 10 30 DGEEHN C=CCOCCCN[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000595076984 400100738 /nfs/dbraw/zinc/10/07/38/400100738.db2.gz KNGLMCCBHJCEMR-AWEZNQCLSA-N 0 3 321.417 3.324 10 30 DGEEHN Cn1ccnc1C[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000610272823 400230768 /nfs/dbraw/zinc/23/07/68/400230768.db2.gz RJDKPIMDHFDZBF-IBGZPJMESA-N 0 3 316.408 3.365 10 30 DGEEHN C=CC[C@H](C(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617009015 400271403 /nfs/dbraw/zinc/27/14/03/400271403.db2.gz QGJZKXIHXGDLKK-IRXDYDNUSA-N 0 3 300.446 3.335 10 30 DGEEHN COc1ccccc1CCN(C)CCOc1ccccc1C#N ZINC000104711297 400315145 /nfs/dbraw/zinc/31/51/45/400315145.db2.gz OJPCZRMXITUVOD-UHFFFAOYSA-N 0 3 310.397 3.120 10 30 DGEEHN C=CCOCCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000611543882 400418596 /nfs/dbraw/zinc/41/85/96/400418596.db2.gz DZKHRDCMUMDBJD-UHFFFAOYSA-N 0 3 322.408 3.429 10 30 DGEEHN C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc2ccccc2c1 ZINC000123184348 400466724 /nfs/dbraw/zinc/46/67/24/400466724.db2.gz JBRWTSUUHRZIDB-XOBRGWDASA-N 0 3 321.424 3.299 10 30 DGEEHN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000047454175 400617864 /nfs/dbraw/zinc/61/78/64/400617864.db2.gz IZDZNGBBGKZOLW-CQSZACIVSA-N 0 3 323.396 3.026 10 30 DGEEHN C#CC[C@@H](N)c1cc(Br)c(Br)s1 ZINC000168567615 400758155 /nfs/dbraw/zinc/75/81/55/400758155.db2.gz WGLAPDJLYMMGPV-ZCFIWIBFSA-N 0 3 309.026 3.296 10 30 DGEEHN C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624788554 400952154 /nfs/dbraw/zinc/95/21/54/400952154.db2.gz VSEJKLZFNMTTME-NVXWUHKLSA-N 0 3 305.466 3.001 10 30 DGEEHN COc1ccccc1/C=C\CNCCOc1ccc(C#N)cc1 ZINC000255066857 401102001 /nfs/dbraw/zinc/10/20/01/401102001.db2.gz IVTACNHGGULJPU-XQRVVYSFSA-N 0 3 308.381 3.249 10 30 DGEEHN C=CCN(Cc1ccccc1)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000261400999 401111494 /nfs/dbraw/zinc/11/14/94/401111494.db2.gz GMWKRWMFVDCXDU-NRFANRHFSA-N 0 3 324.468 3.168 10 30 DGEEHN C=CCC1(C(=O)Nc2cnn(C3CCN(C)CC3)c2)CCCC1 ZINC000634095396 401206647 /nfs/dbraw/zinc/20/66/47/401206647.db2.gz CRAQXBDWGOSFAR-UHFFFAOYSA-N 0 3 316.449 3.225 10 30 DGEEHN C=CC[C@H]1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000625703954 401188406 /nfs/dbraw/zinc/18/84/06/401188406.db2.gz QFHCUDUXHIHHPH-GJZGRUSLSA-N 0 3 304.409 3.243 10 30 DGEEHN C=CCOc1c(Cl)cc(CN[C@@H]2CCCOC2)cc1OC ZINC000623407957 401510180 /nfs/dbraw/zinc/51/01/80/401510180.db2.gz BEHGCOSKAZHSNP-CYBMUJFWSA-N 0 3 311.809 3.182 10 30 DGEEHN C=CCOc1c(Cl)cc(CN[C@H](C)[C@@H](C)CO)cc1OC ZINC000623427509 401514956 /nfs/dbraw/zinc/51/49/56/401514956.db2.gz BMHIMXDSBIZMBM-NWDGAFQWSA-N 0 3 313.825 3.020 10 30 DGEEHN C=CCCn1cc(CN[C@H]2CC[C@H](OCCC(C)C)CC2)nn1 ZINC000623679492 401567947 /nfs/dbraw/zinc/56/79/47/401567947.db2.gz ZVLDFMQOOGXZLA-SAABIXHNSA-N 0 3 320.481 3.318 10 30 DGEEHN C=CC(C)(C)CCNCc1c(C)nn(C)c1OCC(F)(F)F ZINC000623592512 401552114 /nfs/dbraw/zinc/55/21/14/401552114.db2.gz OZNZTVBUPKCFHY-UHFFFAOYSA-N 0 3 319.371 3.362 10 30 DGEEHN C=C[C@@H](CC(=O)NC[C@H]1CCN1C1CCCC1)c1ccccc1 ZINC000628965192 401651210 /nfs/dbraw/zinc/65/12/10/401651210.db2.gz KOKIXOJGUYEKQG-QFBILLFUSA-N 0 3 312.457 3.479 10 30 DGEEHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1C[C@H]1C ZINC000629107817 401663843 /nfs/dbraw/zinc/66/38/43/401663843.db2.gz YTJGXRNSEVMJNB-HUUCEWRRSA-N 0 3 320.506 3.241 10 30 DGEEHN CC(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000185365232 165001667 /nfs/dbraw/zinc/00/16/67/165001667.db2.gz IBRRDBYEWTXKBF-MRXNPFEDSA-N 0 3 315.461 3.131 10 30 DGEEHN N#Cc1cccc(OCCN2CCC[C@H](c3nccs3)C2)c1 ZINC000195356069 165366906 /nfs/dbraw/zinc/36/69/06/165366906.db2.gz QRVOVHXZKSPDGU-HNNXBMFYSA-N 0 3 313.426 3.273 10 30 DGEEHN Cn1cc([C@@H]2CCN(Cc3cccc(OCCCC#N)c3)C2)cn1 ZINC000128419578 227009470 /nfs/dbraw/zinc/00/94/70/227009470.db2.gz JEZBVZKZNXAVHN-QGZVFWFLSA-N 0 3 324.428 3.092 10 30 DGEEHN CSC1(CN[C@H](C)c2ccc(C#N)cc2F)CCOCC1 ZINC000358587959 270004100 /nfs/dbraw/zinc/00/41/00/270004100.db2.gz LIWAVDQBBOBPQA-GFCCVEGCSA-N 0 3 308.422 3.260 10 30 DGEEHN C[C@@]1(CNc2cnccc2C#N)CCCN1Cc1ccccc1 ZINC000397912223 267115740 /nfs/dbraw/zinc/11/57/40/267115740.db2.gz IFBTZBNGHXCYQK-IBGZPJMESA-N 0 3 306.413 3.420 10 30 DGEEHN C[C@H](COCC(F)(F)F)N[C@H](C)c1ccc(C#N)cc1F ZINC000358576444 267164857 /nfs/dbraw/zinc/16/48/57/267164857.db2.gz UDZXRZKXSZDXIS-NXEZZACHSA-N 0 3 304.287 3.315 10 30 DGEEHN Cc1cc(C)n(CCCN[C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000358580445 267322414 /nfs/dbraw/zinc/32/24/14/267322414.db2.gz XVPBEARQWUYYNB-AWEZNQCLSA-N 0 3 300.381 3.252 10 30 DGEEHN N#Cc1ccsc1C(=O)NC[C@@H]1CCCN1C1CCCCC1 ZINC000366750622 268302351 /nfs/dbraw/zinc/30/23/51/268302351.db2.gz XJFCMPZUYJNXNU-HNNXBMFYSA-N 0 3 317.458 3.147 10 30 DGEEHN C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159640971 275382048 /nfs/dbraw/zinc/38/20/48/275382048.db2.gz SHKSQBYAVFPTLQ-KXBFYZLASA-N 0 3 310.441 3.086 10 30 DGEEHN CC(C)(C)[C@H]1OCC[C@@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000328623777 277262915 /nfs/dbraw/zinc/26/29/15/277262915.db2.gz JNNDWDDTFYGZKQ-OAGGEKHMSA-N 0 3 315.417 3.175 10 30 DGEEHN C#CCCOc1ccc(CN[C@H](CN(C)C)c2ccccc2)cc1 ZINC000113315826 431342613 /nfs/dbraw/zinc/34/26/13/431342613.db2.gz UXHOXWXITLUQPE-OAQYLSRUSA-N 0 3 322.452 3.481 10 30 DGEEHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]1c1ccco1 ZINC000116289580 431499384 /nfs/dbraw/zinc/49/93/84/431499384.db2.gz DZIXXFURIDJGEW-MRXNPFEDSA-N 0 3 309.369 3.317 10 30 DGEEHN CC(C)[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)N1CCCCC1 ZINC000329101814 280133858 /nfs/dbraw/zinc/13/38/58/280133858.db2.gz FGUIASKJQMQPOI-DJIMGWMZSA-N 0 3 321.465 3.351 10 30 DGEEHN C=CCN(C)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000121576817 431802455 /nfs/dbraw/zinc/80/24/55/431802455.db2.gz WNGWHYQYXKXJHY-LJQANCHMSA-N 0 3 311.425 3.271 10 30 DGEEHN C=CCN(Cc1cccs1)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000121667327 431802694 /nfs/dbraw/zinc/80/26/94/431802694.db2.gz WKEVQCCVFMSATM-HNNXBMFYSA-N 0 3 323.506 3.422 10 30 DGEEHN N#Cc1csc(CN[C@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000088755376 431859567 /nfs/dbraw/zinc/85/95/67/431859567.db2.gz STVPZTULZRMRSK-LBPRGKRZSA-N 0 3 319.380 3.266 10 30 DGEEHN CCOCc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000123271198 431859596 /nfs/dbraw/zinc/85/95/96/431859596.db2.gz BFUVMGKYOWZJLD-UHFFFAOYSA-N 0 3 320.396 3.032 10 30 DGEEHN CC(C)(CCC#N)CN1CCCN(C(=O)c2cccs2)CC1 ZINC000093385978 431914914 /nfs/dbraw/zinc/91/49/14/431914914.db2.gz FZNDOWHALYITDO-UHFFFAOYSA-N 0 3 319.474 3.226 10 30 DGEEHN C=CCOc1ccc(CN2CCC(OCCCOC)CC2)cc1 ZINC000093561260 431915732 /nfs/dbraw/zinc/91/57/32/431915732.db2.gz QJYCVTDNKLCOSS-UHFFFAOYSA-N 0 3 319.445 3.269 10 30 DGEEHN C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000102497038 431994689 /nfs/dbraw/zinc/99/46/89/431994689.db2.gz AKGKOJXDNANDPI-DJIMGWMZSA-N 0 3 311.429 3.397 10 30 DGEEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000252931055 432389156 /nfs/dbraw/zinc/38/91/56/432389156.db2.gz UHTJOEOZNFTHLQ-BBRMVZONSA-N 0 3 303.837 3.270 10 30 DGEEHN C=CCSc1ccccc1NC(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000193123818 432451656 /nfs/dbraw/zinc/45/16/56/432451656.db2.gz HRPRTAWQMXVAAR-HIFRSBDPSA-N 0 3 320.458 3.060 10 30 DGEEHN COc1ccc(C#N)cc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000153524396 432417889 /nfs/dbraw/zinc/41/78/89/432417889.db2.gz NZXIPJJXEYJNLI-GOSISDBHSA-N 0 3 314.429 3.490 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000185919597 432546479 /nfs/dbraw/zinc/54/64/79/432546479.db2.gz KJZYOVIFJVRCGK-JKSUJKDBSA-N 0 3 315.461 3.326 10 30 DGEEHN C=CC[C@H](CO)NCc1ccc(Br)cc1SC ZINC000273510536 432606402 /nfs/dbraw/zinc/60/64/02/432606402.db2.gz QTQXEPIKQXGFGQ-GFCCVEGCSA-N 0 3 316.264 3.198 10 30 DGEEHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(-n2cncn2)cc1 ZINC000176942428 432567883 /nfs/dbraw/zinc/56/78/83/432567883.db2.gz TUKZEIDNKKXZTR-GFCCVEGCSA-N 0 3 309.398 3.051 10 30 DGEEHN C=CC[C@H](CO)N[C@H](C)c1cc(Br)ccc1F ZINC000186708357 432624531 /nfs/dbraw/zinc/62/45/31/432624531.db2.gz PNNNQKPXUOYZDX-MWLCHTKSSA-N 0 3 302.187 3.176 10 30 DGEEHN CC(C)(C)N1CCN(c2cncc(C#C[Si](C)(C)C)c2)CC1 ZINC000208796415 432639232 /nfs/dbraw/zinc/63/92/32/432639232.db2.gz IVXXNLVVNNKUGS-UHFFFAOYSA-N 0 3 315.537 3.231 10 30 DGEEHN Cc1nc(CC2CC2)oc1C(=O)NC1CC(N2CCCCC2)C1 ZINC000330110635 432893580 /nfs/dbraw/zinc/89/35/80/432893580.db2.gz QQYLGQOZOVTHOI-UHFFFAOYSA-N 0 3 317.433 3.257 10 30 DGEEHN C=C(C)CCc1noc(-c2ccccc2OCCN(C)C)n1 ZINC000289252599 432937643 /nfs/dbraw/zinc/93/76/43/432937643.db2.gz PZYOPDIFZMYZGU-UHFFFAOYSA-N 0 3 301.390 3.186 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000330242013 432899489 /nfs/dbraw/zinc/89/94/89/432899489.db2.gz FYNJMVBGRQAPRB-AMFBXLIHSA-N 0 3 310.344 3.098 10 30 DGEEHN Cc1cc(C)cc(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000330240494 432899647 /nfs/dbraw/zinc/89/96/47/432899647.db2.gz FFYPBSYFYKRZBO-IAOVAPTHSA-N 0 3 302.418 3.437 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1c(F)cccc1F ZINC000330273581 432902482 /nfs/dbraw/zinc/90/24/82/432902482.db2.gz ZKHGQQPVASDMMY-JBCWJZNQSA-N 0 3 310.344 3.098 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000425601705 433316446 /nfs/dbraw/zinc/31/64/46/433316446.db2.gz GUWDNWAQJICMMA-RDJZCZTQSA-N 0 3 300.446 3.498 10 30 DGEEHN C=CCCCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000448028513 433350939 /nfs/dbraw/zinc/35/09/39/433350939.db2.gz DDJZTUYWHHFBDF-GOEBONIOSA-N 0 3 321.490 3.396 10 30 DGEEHN C[C@H](NC[C@@H]1N(C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036289 433354762 /nfs/dbraw/zinc/35/47/62/433354762.db2.gz XDXWOCVZDPGCBY-GUYCJALGSA-N 0 3 303.425 3.468 10 30 DGEEHN C=C(C)COc1cc(CN2CCC23CCOCC3)ccc1OC ZINC000375733215 433545733 /nfs/dbraw/zinc/54/57/33/433545733.db2.gz RPESRCCVRJPINS-UHFFFAOYSA-N 0 3 317.429 3.405 10 30 DGEEHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449934141 433880151 /nfs/dbraw/zinc/88/01/51/433880151.db2.gz HTFGHAYTANVPFS-DZGCQCFKSA-N 0 3 306.475 3.459 10 30 DGEEHN C=CC[C@H](CO)N[C@H]1CCc2sc(Br)cc21 ZINC000294012355 433964554 /nfs/dbraw/zinc/96/45/54/433964554.db2.gz DIJKTYLODIYQSA-SCZZXKLOSA-N 0 3 302.237 3.025 10 30 DGEEHN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(F)c2ccccc21 ZINC000294369676 434104929 /nfs/dbraw/zinc/10/49/29/434104929.db2.gz QUOKQKGLKDWDCH-CYBMUJFWSA-N 0 3 321.417 3.230 10 30 DGEEHN CC(=O)Nc1ccn([C@H]2CCN(Cc3sccc3C)C2)n1 ZINC000328645537 434292493 /nfs/dbraw/zinc/29/24/93/434292493.db2.gz ZTQRVJAIAYVBQX-ZDUSSCGKSA-N 0 3 304.419 3.308 10 30 DGEEHN CCN1CCC[C@H](NC(=O)c2cn(C)nc2C2CCCCC2)C1 ZINC000328705889 434302508 /nfs/dbraw/zinc/30/25/08/434302508.db2.gz AEPWXTJHGNZTCN-HNNXBMFYSA-N 0 3 318.465 3.257 10 30 DGEEHN C[C@@H]1CC[C@]2(CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000366342599 434392065 /nfs/dbraw/zinc/39/20/65/434392065.db2.gz OOLWVZVKEYFOPM-ZTNFWEORSA-N 0 3 321.424 3.279 10 30 DGEEHN C[C@@H](NCCCN(C)CC(F)(F)F)c1ccc(C#N)cc1F ZINC000358570708 434398674 /nfs/dbraw/zinc/39/86/74/434398674.db2.gz NYLGTFCLODMZQN-LLVKDONJSA-N 0 3 317.330 3.232 10 30 DGEEHN C[C@H](N[C@H]1CCOC2(CCOCC2)C1)c1ccc(C#N)cc1F ZINC000358580441 434399270 /nfs/dbraw/zinc/39/92/70/434399270.db2.gz XVHDNNIHLIJDOE-ZFWWWQNUSA-N 0 3 318.392 3.076 10 30 DGEEHN C[C@@H](N[C@@H](C)COCC(F)(F)F)c1ccc(C#N)cc1F ZINC000358576475 434399391 /nfs/dbraw/zinc/39/93/91/434399391.db2.gz UDZXRZKXSZDXIS-VHSXEESVSA-N 0 3 304.287 3.315 10 30 DGEEHN C=CCOc1ccc(C(=O)NC[C@@H](N)c2ccccc2CC)cc1 ZINC000423975298 434594611 /nfs/dbraw/zinc/59/46/11/434594611.db2.gz LSVWYCMFXOPEJW-LJQANCHMSA-N 0 3 324.424 3.244 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000424289706 434679757 /nfs/dbraw/zinc/67/97/57/434679757.db2.gz ABQJZTMBDWDDCW-SNRMKQJTSA-N 0 3 312.388 3.491 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000412043187 434861515 /nfs/dbraw/zinc/86/15/15/434861515.db2.gz PMQQOLSJUADGJU-IEBWSBKVSA-N 0 3 316.420 3.028 10 30 DGEEHN C[C@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000453246283 434840697 /nfs/dbraw/zinc/84/06/97/434840697.db2.gz MZCBFLITIUELDD-BLLLJJGKSA-N 0 3 316.351 3.091 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527911941 435017167 /nfs/dbraw/zinc/01/71/67/435017167.db2.gz UNNYDBNQYDZBDZ-ALKREAHSSA-N 0 3 311.429 3.329 10 30 DGEEHN C[C@@H](NCCc1nn(C)c2ccccc12)c1ccc(C#N)cc1F ZINC000480669515 435390463 /nfs/dbraw/zinc/39/04/63/435390463.db2.gz BRUDTGIVUOBBMH-CYBMUJFWSA-N 0 3 322.387 3.477 10 30 DGEEHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000537186139 435428862 /nfs/dbraw/zinc/42/88/62/435428862.db2.gz IZFHEIHEYQHDHY-RYQLBKOJSA-N 0 3 315.461 3.476 10 30 DGEEHN C=C(C)Cn1c(C2CCCC2)nnc1N1CCCN(CC)CC1 ZINC000571134492 435680558 /nfs/dbraw/zinc/68/05/58/435680558.db2.gz LMMHJWRSZGXJCO-UHFFFAOYSA-N 0 3 317.481 3.044 10 30 DGEEHN CCC(CC)(CN[C@H](C)c1ccc(C#N)cc1F)C(=O)OC ZINC000546166565 314293971 /nfs/dbraw/zinc/29/39/71/314293971.db2.gz LQXSLQMCDMWAAP-GFCCVEGCSA-N 0 3 306.381 3.327 10 30 DGEEHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000101583042 334332060 /nfs/dbraw/zinc/33/20/60/334332060.db2.gz IRGRKKOIDODMDR-JKSUJKDBSA-N 0 3 318.461 3.453 10 30 DGEEHN CCOC(=O)c1csc(C2CCN(CCCCC#N)CC2)n1 ZINC000191567954 337299037 /nfs/dbraw/zinc/29/90/37/337299037.db2.gz HJDFRERGLYRWOC-UHFFFAOYSA-N 0 3 321.446 3.193 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000509566342 340273645 /nfs/dbraw/zinc/27/36/45/340273645.db2.gz DYVIFFPHRNSQGY-LSDHHAIUSA-N 0 3 307.438 3.316 10 30 DGEEHN C=CC[C@@H](C(=O)N(C)C[C@@H]1CCCN1CC)c1ccccc1 ZINC000249130054 341394395 /nfs/dbraw/zinc/39/43/95/341394395.db2.gz DHVSMGLSQDURRP-ZWKOTPCHSA-N 0 3 300.446 3.289 10 30 DGEEHN C=CCCCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000454878944 534726335 /nfs/dbraw/zinc/72/63/35/534726335.db2.gz UNDAGUGCENCRKH-QGZVFWFLSA-N 0 3 315.461 3.116 10 30 DGEEHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000348639803 526558277 /nfs/dbraw/zinc/55/82/77/526558277.db2.gz ZMCGMXJNRCGPHU-CVEARBPZSA-N 0 3 307.434 3.355 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N(CC)C2CC(C)(C)C2)CC1 ZINC000413248633 526583642 /nfs/dbraw/zinc/58/36/42/526583642.db2.gz XPXAKNZGWHPWIY-UHFFFAOYSA-N 0 3 307.482 3.247 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000343854287 526714405 /nfs/dbraw/zinc/71/44/05/526714405.db2.gz IRSIJMAKKNDWRK-HNNXBMFYSA-N 0 3 316.445 3.184 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000185392736 526715111 /nfs/dbraw/zinc/71/51/11/526715111.db2.gz ZCPDZXGOLSFSFI-INIZCTEOSA-N 0 3 315.461 3.369 10 30 DGEEHN C=C(C)[C@H](N[C@H](CC)Cn1cncn1)c1ccc(F)c(F)c1 ZINC000340502637 526822030 /nfs/dbraw/zinc/82/20/30/526822030.db2.gz MCHIKOWNXFGVAB-CJNGLKHVSA-N 0 3 306.360 3.242 10 30 DGEEHN C=CCOc1ccccc1CN(CCN(C)C)Cc1ccco1 ZINC000349323191 526928995 /nfs/dbraw/zinc/92/89/95/526928995.db2.gz ZYKLCDMNXBFHOR-UHFFFAOYSA-N 0 3 314.429 3.408 10 30 DGEEHN C=CC[C@@H](C)NC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000342098168 527024734 /nfs/dbraw/zinc/02/47/34/527024734.db2.gz DUOARFFNFVQVLF-AEFFLSMTSA-N 0 3 315.461 3.305 10 30 DGEEHN C=CC[C@H](CO)Nc1ccnc2cc(OCC)c(OCC)cc21 ZINC000182662287 527212469 /nfs/dbraw/zinc/21/24/69/527212469.db2.gz XGGWNOJHOVPROA-CYBMUJFWSA-N 0 3 316.401 3.381 10 30 DGEEHN C=CCn1c(Cc2ccccc2)nnc1SC[C@H](C)N(C)C ZINC000358852937 527327428 /nfs/dbraw/zinc/32/74/28/527327428.db2.gz HODJDISWWSYYAW-AWEZNQCLSA-N 0 3 316.474 3.097 10 30 DGEEHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000131408254 545956543 /nfs/dbraw/zinc/95/65/43/545956543.db2.gz UZCRADBKFNTZSB-GJZGRUSLSA-N 0 3 304.434 3.063 10 30 DGEEHN C=C(C)CN(CC)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181064616 546152535 /nfs/dbraw/zinc/15/25/35/546152535.db2.gz DYLDZPFHSGERLC-INIZCTEOSA-N 0 3 303.450 3.115 10 30 DGEEHN CC#CCN1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000741779161 574641540 /nfs/dbraw/zinc/64/15/40/574641540.db2.gz QOBJQAIMLDTONM-JKSUJKDBSA-N 0 3 306.450 3.121 10 30 DGEEHN CCN(Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCOC1 ZINC000735311681 574697228 /nfs/dbraw/zinc/69/72/28/574697228.db2.gz UDIRFAPENWWUDO-CYBMUJFWSA-N 0 3 308.809 3.101 10 30 DGEEHN C#CCOc1ccc(CN[C@@H](CC)c2c(C)nn(C)c2C)cc1 ZINC000742388300 574995995 /nfs/dbraw/zinc/99/59/95/574995995.db2.gz RGACUWUBCVAQHE-SFHVURJKSA-N 0 3 311.429 3.290 10 30 DGEEHN Cc1ccc(N=NC(C)c2ccc(OCCN(C)C)cc2)nc1 ZINC000727260431 576116774 /nfs/dbraw/zinc/11/67/74/576116774.db2.gz WNNKRFSSIFDCMT-UHFFFAOYSA-N 0 3 312.417 3.167 10 30 DGEEHN C#CCOc1ccc(CN2CCC[C@@H](n3ccnc3CC)C2)cc1 ZINC000122908573 622427864 /nfs/dbraw/zinc/42/78/64/622427864.db2.gz WWZQSCWFJWOHHY-GOSISDBHSA-N 0 3 323.440 3.295 10 30 DGEEHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCSC)cc1 ZINC000131012831 625931657 /nfs/dbraw/zinc/93/16/57/625931657.db2.gz DKAXPSGSJGYJAJ-AWEZNQCLSA-N 0 3 304.415 3.040 10 30 DGEEHN C[C@@H]1[C@@H](NCc2cc(C#N)cs2)CCN1C(=O)OC(C)(C)C ZINC000700755857 660633094 /nfs/dbraw/zinc/63/30/94/660633094.db2.gz FMAHKFMAGQCCTK-RISCZKNCSA-N 0 3 321.446 3.107 10 30 DGEEHN N#CC(C(=O)C[C@@H]1CCCc2ccccc21)C(=O)NC1CCCC1 ZINC000171777055 659298008 /nfs/dbraw/zinc/29/80/08/659298008.db2.gz GCOMUGTYJZICFX-MAUKXSAKSA-N 0 3 324.424 3.264 10 30 DGEEHN C#C[C@](C)(CC)NCc1cc2c(c(Br)c1)OCO2 ZINC000384130691 1177086080 /nfs/dbraw/zinc/08/60/80/1177086080.db2.gz CEZISCFWVPSHEG-CQSZACIVSA-N 0 3 310.191 3.069 10 30 DGEEHN C=CCC[C@@H](CO)NCc1cc(Cl)ccc1OC(F)F ZINC000320772123 1199848960 /nfs/dbraw/zinc/84/89/60/1199848960.db2.gz QBZGGBNOOGAKDQ-LBPRGKRZSA-N 0 3 305.752 3.358 10 30 DGEEHN C=CCSCCNCc1ccc(OC)cc1OC(F)F ZINC000237242052 1202662146 /nfs/dbraw/zinc/66/21/46/1202662146.db2.gz YBAKMCLYZSMGFP-UHFFFAOYSA-N 0 3 303.374 3.305 10 30 DGEEHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000189964387 186256236 /nfs/dbraw/zinc/25/62/36/186256236.db2.gz DEXQGYPYZAAZDF-YOEHRIQHSA-N 0 3 321.428 3.425 10 30 DGEEHN N#CC1(CCCN2CC[C@H](O)c3ccccc3C2)CCOCC1 ZINC000369187967 283044912 /nfs/dbraw/zinc/04/49/12/283044912.db2.gz KROZJMLIUBRSIK-SFHVURJKSA-N 0 3 314.429 3.026 10 30 DGEEHN N#CC1CCC(CNCc2ncc(Br)s2)CC1 ZINC000441330993 239035299 /nfs/dbraw/zinc/03/52/99/239035299.db2.gz MWSHNVCHHGKPBG-UHFFFAOYSA-N 0 3 314.252 3.325 10 30 DGEEHN Cc1ccc(NCc2cnc3ccc(C#N)cn23)c(CN(C)C)c1 ZINC000092169738 193170846 /nfs/dbraw/zinc/17/08/46/193170846.db2.gz QVYHKDGIIOPXFD-UHFFFAOYSA-N 0 3 319.412 3.188 10 30 DGEEHN CCc1ccc([C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000121494593 284198481 /nfs/dbraw/zinc/19/84/81/284198481.db2.gz FCXPKEKKPJMTHY-DNVCBOLYSA-N 0 3 324.424 3.211 10 30 DGEEHN N#Cc1ccccc1O[C@H](CN)c1ccc(Br)cc1 ZINC000042957087 183322889 /nfs/dbraw/zinc/32/28/89/183322889.db2.gz MBZZYVPNRUQBAN-OAHLLOKOSA-N 0 3 317.186 3.400 10 30 DGEEHN N#Cc1ccccc1O[C@@H](CN)c1cccc(Br)c1 ZINC000043022803 183330505 /nfs/dbraw/zinc/33/05/05/183330505.db2.gz XSAAALJIYKSTSK-HNNXBMFYSA-N 0 3 317.186 3.400 10 30 DGEEHN CC(C)N(CCC#N)[C@H](CN)c1ccccc1Br ZINC000043093392 183336707 /nfs/dbraw/zinc/33/67/07/183336707.db2.gz JJIAHHGJEDZEAQ-CQSZACIVSA-N 0 3 310.239 3.073 10 30 DGEEHN C[C@@H](N)[C@H](c1cc(Br)cs1)N(C)[C@@H](C)CC#N ZINC000063085307 184269683 /nfs/dbraw/zinc/26/96/83/184269683.db2.gz QNVMQWIWJLYBSD-YGOYTEALSA-N 0 3 316.268 3.133 10 30 DGEEHN CCCCOC[C@@H](O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000248656431 285015147 /nfs/dbraw/zinc/01/51/47/285015147.db2.gz RINAPKVOCJXDGZ-QAPCUYQASA-N 0 3 304.434 3.119 10 30 DGEEHN C=CCOC[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccc(F)cc2)O1 ZINC000253377682 257106081 /nfs/dbraw/zinc/10/60/81/257106081.db2.gz XVNCDTMQCTXAGO-BZSNNMDCSA-N 0 3 305.393 3.150 10 30 DGEEHN C[C@@]1(CNCc2ccc(C#N)o2)CCCN1Cc1ccccc1 ZINC000121797847 195349276 /nfs/dbraw/zinc/34/92/76/195349276.db2.gz QLRLOUFTKXURIG-IBGZPJMESA-N 0 3 309.413 3.296 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000581888212 400083336 /nfs/dbraw/zinc/08/33/36/400083336.db2.gz VUOYDRDIGGQKKC-LPHOPBHVSA-N 0 3 300.446 3.370 10 30 DGEEHN C=CCCC[C@@H](C)N1CCN(CCOc2ccccc2)CC1 ZINC000091507723 400125058 /nfs/dbraw/zinc/12/50/58/400125058.db2.gz YPEXWLBRKPQXHN-GOSISDBHSA-N 0 3 302.462 3.428 10 30 DGEEHN Cn1ccnc1C[C@@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000610272728 400230626 /nfs/dbraw/zinc/23/06/26/400230626.db2.gz HGCAZYBMWLELMX-LJQANCHMSA-N 0 3 316.408 3.365 10 30 DGEEHN C=CCOc1ccccc1CN1CC[C@H](Cc2cnn(C)c2)C1 ZINC000093870213 400260956 /nfs/dbraw/zinc/26/09/56/400260956.db2.gz KEPMHACEUHVKSK-MRXNPFEDSA-N 0 3 311.429 3.050 10 30 DGEEHN COc1cc(/C=[N+](/C)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000165672158 400752635 /nfs/dbraw/zinc/75/26/35/400752635.db2.gz ZHGXZVCARVEPJN-ZDLGFXPLSA-N 0 3 306.769 3.378 10 30 DGEEHN C=CCCCN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000605149710 400843169 /nfs/dbraw/zinc/84/31/69/400843169.db2.gz XFMVUJSUNYYFPI-UHFFFAOYSA-N 0 3 308.853 3.303 10 30 DGEEHN N#CCCCNC1(c2ccc(Br)cc2)CCOCC1 ZINC000193352253 400917754 /nfs/dbraw/zinc/91/77/54/400917754.db2.gz IQPSDEKVPDEMFV-UHFFFAOYSA-N 0 3 323.234 3.348 10 30 DGEEHN C=C1CC(C)(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000633494095 400972286 /nfs/dbraw/zinc/97/22/86/400972286.db2.gz ZSWDGWFBIWEWCF-ZWKOTPCHSA-N 0 3 310.441 3.076 10 30 DGEEHN Cc1cc(Br)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594428238 401063998 /nfs/dbraw/zinc/06/39/98/401063998.db2.gz XHWYPJIJFXHWJK-GFCCVEGCSA-N 0 3 324.222 3.107 10 30 DGEEHN C=CC[C@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000625703953 401187215 /nfs/dbraw/zinc/18/72/15/401187215.db2.gz QFHCUDUXHIHHPH-CABCVRRESA-N 0 3 304.409 3.243 10 30 DGEEHN C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625942085 401262346 /nfs/dbraw/zinc/26/23/46/401262346.db2.gz JIFJNRSSZDJXFT-ZDUSSCGKSA-N 0 3 303.406 3.035 10 30 DGEEHN C=CC(C)(C)CCN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000624036905 401616935 /nfs/dbraw/zinc/61/69/35/401616935.db2.gz DAZAADZYTUILNH-OAHLLOKOSA-N 0 3 309.475 3.349 10 30 DGEEHN C=C1CC(C)(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)C1 ZINC000633327438 401672777 /nfs/dbraw/zinc/67/27/77/401672777.db2.gz AONYCTCDBQQZFR-KRWDZBQOSA-N 0 3 312.457 3.323 10 30 DGEEHN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247271102 432218849 /nfs/dbraw/zinc/21/88/49/432218849.db2.gz JXETYRVQAUKDRO-GDBMZVCRSA-N 0 3 321.490 3.174 10 30 DGEEHN CN(Cc1ccc(C#N)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000361868619 266562669 /nfs/dbraw/zinc/56/26/69/266562669.db2.gz NKNLCYRIXGWJNV-IBGZPJMESA-N 0 3 323.415 3.404 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)Nc1cc(CC)on1)C(C)C ZINC000606956772 425070809 /nfs/dbraw/zinc/07/08/09/425070809.db2.gz AAMSTOMNODEVLY-OAHLLOKOSA-N 0 3 320.437 3.057 10 30 DGEEHN C=CC[C@H](CO)N[C@H]1CCc2c1ccc(F)c2Br ZINC000295440812 273487075 /nfs/dbraw/zinc/48/70/75/273487075.db2.gz PLFWTNXSDNBFFP-RNCFNFMXSA-N 0 3 314.198 3.102 10 30 DGEEHN C=CCCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000447968969 275742815 /nfs/dbraw/zinc/74/28/15/275742815.db2.gz TWLOGRWELDOWFG-KRWDZBQOSA-N 0 3 301.434 3.089 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC)cc1Br ZINC000186703728 277881274 /nfs/dbraw/zinc/88/12/74/277881274.db2.gz CENQUQXTHZCYQN-QWRGUYRKSA-N 0 3 314.223 3.045 10 30 DGEEHN C=CC12CCN(CC1)[C@H]([C@@H](O)c1ccnc3ccc(OC)cc31)C2 ZINC000000345733 431168678 /nfs/dbraw/zinc/16/86/78/431168678.db2.gz FNBBFRCDCVFRON-OALUTQOASA-N 0 3 324.424 3.317 10 30 DGEEHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](CNc2ccccn2)C1 ZINC000118396083 431602796 /nfs/dbraw/zinc/60/27/96/431602796.db2.gz BVEWEJTYOCITCL-DOTOQJQBSA-N 0 3 306.413 3.448 10 30 DGEEHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](CNc2ccccn2)C1 ZINC000118396086 431604398 /nfs/dbraw/zinc/60/43/98/431604398.db2.gz BVEWEJTYOCITCL-NVXWUHKLSA-N 0 3 306.413 3.448 10 30 DGEEHN C[C@H](CCc1ccccc1)N1CCN(c2ncccc2C#N)CC1 ZINC000079481896 431725359 /nfs/dbraw/zinc/72/53/59/431725359.db2.gz KPJCSDQTNOJZIF-QGZVFWFLSA-N 0 3 320.440 3.097 10 30 DGEEHN C[C@@H](N[C@@H](C)c1ccc2ccccc2c1)C(=O)N(C)CCC#N ZINC000122330777 431827928 /nfs/dbraw/zinc/82/79/28/431827928.db2.gz FMQFOXCQCJNJTE-LSDHHAIUSA-N 0 3 309.413 3.251 10 30 DGEEHN C=CCC[C@H](O)CN(Cc1cccc(OC)c1OC)C(C)C ZINC000036031994 431834150 /nfs/dbraw/zinc/83/41/50/431834150.db2.gz HPCBAUDFCWJDCK-INIZCTEOSA-N 0 3 307.434 3.241 10 30 DGEEHN C#CCOc1ccc(CN(C)CCc2ncc(C)s2)cc1 ZINC000093807283 431917626 /nfs/dbraw/zinc/91/76/26/431917626.db2.gz YGPHASKNSBJBLU-UHFFFAOYSA-N 0 3 300.427 3.138 10 30 DGEEHN Cc1cccc(NC[C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000192034530 432325523 /nfs/dbraw/zinc/32/55/23/432325523.db2.gz NMMFMQLLXRPXRP-INIZCTEOSA-N 0 3 324.403 3.335 10 30 DGEEHN C[C@@H](c1ccc(C#N)cc1)N1CCCN(c2ccccn2)CC1 ZINC000183796262 432326360 /nfs/dbraw/zinc/32/63/60/432326360.db2.gz FUHUDKXRERXUGA-INIZCTEOSA-N 0 3 306.413 3.227 10 30 DGEEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000252931057 432388236 /nfs/dbraw/zinc/38/82/36/432388236.db2.gz UHTJOEOZNFTHLQ-CJNGLKHVSA-N 0 3 303.837 3.270 10 30 DGEEHN C[C@@H](N[C@H](C)c1cccs1)C(=O)NC1(C#N)CCCCC1 ZINC000192680488 432399939 /nfs/dbraw/zinc/39/99/39/432399939.db2.gz HKRGENDFNRLEEE-CHWSQXEVSA-N 0 3 305.447 3.130 10 30 DGEEHN CC(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000185229353 432480525 /nfs/dbraw/zinc/48/05/25/432480525.db2.gz MNKZUOZBBGCECI-INIZCTEOSA-N 0 3 315.461 3.131 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000185570946 432511908 /nfs/dbraw/zinc/51/19/08/432511908.db2.gz AYCPBGFHGCBFLB-WMZOPIPTSA-N 0 3 300.446 3.370 10 30 DGEEHN CN1CCC[C@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000194710165 432570801 /nfs/dbraw/zinc/57/08/01/432570801.db2.gz APQZNVOJMCRHRN-INIZCTEOSA-N 0 3 319.408 3.049 10 30 DGEEHN C#CCOc1ccc([C@H](C)NCc2ccc(CO)c(F)c2)cc1 ZINC000178562575 432752909 /nfs/dbraw/zinc/75/29/09/432752909.db2.gz LDZMDHKFIZCQQH-AWEZNQCLSA-N 0 3 313.372 3.181 10 30 DGEEHN CN1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000179015643 432796555 /nfs/dbraw/zinc/79/65/55/432796555.db2.gz XCKQUONYEJDWKU-MSOLQXFVSA-N 0 3 320.396 3.125 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245614677 432850817 /nfs/dbraw/zinc/85/08/17/432850817.db2.gz CNXZWJQYWFVOFF-IAGOWNOFSA-N 0 3 301.434 3.039 10 30 DGEEHN Cc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)cc1F ZINC000330238713 432899449 /nfs/dbraw/zinc/89/94/49/432899449.db2.gz DJXYCNDIVFEOAJ-UVBJJODRSA-N 0 3 306.381 3.268 10 30 DGEEHN C=CCCCC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373472830 433152464 /nfs/dbraw/zinc/15/24/64/433152464.db2.gz GKSGZHWZMDRJCC-UHFFFAOYSA-N 0 3 318.383 3.264 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453357950 433116982 /nfs/dbraw/zinc/11/69/82/433116982.db2.gz MWTIYKRRDQVUIV-ZNMIVQPWSA-N 0 3 312.335 3.411 10 30 DGEEHN C#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000373785973 433162424 /nfs/dbraw/zinc/16/24/24/433162424.db2.gz FTIPNDKZZSBNMN-MOPGFXCFSA-N 0 3 310.441 3.055 10 30 DGEEHN C[C@H](NC[C@@H]1CCCCN1C1CC1)c1ccc(C#N)cc1F ZINC000447600481 433243893 /nfs/dbraw/zinc/24/38/93/433243893.db2.gz MGWNNLHOUNUMFY-BBRMVZONSA-N 0 3 301.409 3.365 10 30 DGEEHN C=CCCCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000448139843 433367078 /nfs/dbraw/zinc/36/70/78/433367078.db2.gz QHLZBVJKRLAGRX-OAHLLOKOSA-N 0 3 303.450 3.381 10 30 DGEEHN C=CCCCNC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000447968606 433339021 /nfs/dbraw/zinc/33/90/21/433339021.db2.gz QPYRDZFEQFNSFQ-SFHVURJKSA-N 0 3 315.461 3.089 10 30 DGEEHN C=CCCCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000448387355 433405575 /nfs/dbraw/zinc/40/55/75/433405575.db2.gz NWYZANZDONWKMY-UHFFFAOYSA-N 0 3 323.868 3.379 10 30 DGEEHN C=C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000362368295 433663506 /nfs/dbraw/zinc/66/35/06/433663506.db2.gz ACRAJCUMKWLSCZ-YDHLFZDLSA-N 0 3 307.463 3.005 10 30 DGEEHN C=CCSc1ccccc1C(=O)N[C@H]1CCCN(CC)C1 ZINC000362388202 433681427 /nfs/dbraw/zinc/68/14/27/433681427.db2.gz FNDIWDOTNCCYLA-AWEZNQCLSA-N 0 3 304.459 3.179 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc[nH]c1C1CC1)C(C)C ZINC000284429470 433894962 /nfs/dbraw/zinc/89/49/62/433894962.db2.gz SZCNZXRPHVWFLY-KRWDZBQOSA-N 0 3 315.461 3.321 10 30 DGEEHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000305059914 434028387 /nfs/dbraw/zinc/02/83/87/434028387.db2.gz GGAHPCBESOPSCJ-RHSMWYFYSA-N 0 3 305.418 3.168 10 30 DGEEHN C#CCOc1ccccc1CN[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000365129827 434287853 /nfs/dbraw/zinc/28/78/53/434287853.db2.gz DGZOBLGOEYHPKC-SFHVURJKSA-N 0 3 323.440 3.123 10 30 DGEEHN C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)N1CCC(C)CC1 ZINC000328634429 434293186 /nfs/dbraw/zinc/29/31/86/434293186.db2.gz BKXKHNDZPWJINK-HUUCEWRRSA-N 0 3 309.454 3.353 10 30 DGEEHN C[C@@H](NCCN1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000358551792 434394586 /nfs/dbraw/zinc/39/45/86/434394586.db2.gz BQEDNLKGQRPRJP-OAHLLOKOSA-N 0 3 323.415 3.406 10 30 DGEEHN C[C@H](NC[C@H](CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358591218 434398819 /nfs/dbraw/zinc/39/88/19/434398819.db2.gz OCVICLUJEXWHJS-WMLDXEAASA-N 0 3 312.388 3.199 10 30 DGEEHN C[C@@H]1CC[C@H]([NH+]=C([O-])N[C@@H]2CCc3nc[nH]c3C2)c2ccccc21 ZINC000329729768 434466288 /nfs/dbraw/zinc/46/62/88/434466288.db2.gz PIAVEUCTQBDUPO-IOASZLSFSA-N 0 3 324.428 3.409 10 30 DGEEHN C=CCS(=O)(=O)CCN[C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000371743427 434745537 /nfs/dbraw/zinc/74/55/37/434745537.db2.gz ITQDVVVHLWPQHL-ZWKOTPCHSA-N 0 3 321.486 3.293 10 30 DGEEHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCCCCC2)cc1 ZINC000452792893 434716940 /nfs/dbraw/zinc/71/69/40/434716940.db2.gz MGWCWVFNYQZNFF-GOSISDBHSA-N 0 3 309.413 3.327 10 30 DGEEHN C=CCN1CCC(N[C@@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453101365 434801434 /nfs/dbraw/zinc/80/14/34/434801434.db2.gz NXVAYPUJECWOIV-INIZCTEOSA-N 0 3 324.472 3.388 10 30 DGEEHN C=CCOc1cccc(CNC[C@@H]2c3ccccc3C(=O)N2C)c1 ZINC000527804261 435015699 /nfs/dbraw/zinc/01/56/99/435015699.db2.gz CPLIFVXDTLKTRV-LJQANCHMSA-N 0 3 322.408 3.168 10 30 DGEEHN C=CCOc1ccccc1CNCCOc1ccc(C#N)cc1 ZINC000525195033 435006128 /nfs/dbraw/zinc/00/61/28/435006128.db2.gz DQGPNJDKTFKAQK-UHFFFAOYSA-N 0 3 308.381 3.292 10 30 DGEEHN C=CC[C@@H](CC)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000466321864 435071287 /nfs/dbraw/zinc/07/12/87/435071287.db2.gz AQDMEOZDZYXFDF-MSOLQXFVSA-N 0 3 315.461 3.257 10 30 DGEEHN C=CCOCCN1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000559154806 435122939 /nfs/dbraw/zinc/12/29/39/435122939.db2.gz GGMATLSKQCTPKY-PMPSAXMXSA-N 0 3 309.450 3.164 10 30 DGEEHN C=CCN1CCC(NC(=O)NCC(C)(C)C2=CCCCC2)CC1 ZINC000477047734 435256174 /nfs/dbraw/zinc/25/61/74/435256174.db2.gz GFUQKIYNCWWZJZ-UHFFFAOYSA-N 0 3 319.493 3.463 10 30 DGEEHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000512658874 435364936 /nfs/dbraw/zinc/36/49/36/435364936.db2.gz AOSLTIQVVIKTNS-LBPRGKRZSA-N 0 3 313.332 3.499 10 30 DGEEHN Cc1cccc(CNC2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000181542419 323258396 /nfs/dbraw/zinc/25/83/96/323258396.db2.gz JDOBVURGBAQQSS-UHFFFAOYSA-N 0 3 320.440 3.016 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)c1sccc1F)C(C)C ZINC000559794069 332281731 /nfs/dbraw/zinc/28/17/31/332281731.db2.gz LFLGDBKFUQJOJW-CQSZACIVSA-N 0 3 310.438 3.316 10 30 DGEEHN C=CC[C@H](CO)NCc1cc(Br)c(Cl)s1 ZINC000191593649 335771499 /nfs/dbraw/zinc/77/14/99/335771499.db2.gz URHDWHGTWOURBG-SSDOTTSWSA-N 0 3 310.644 3.191 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CCC[C@H]2CC(C)(C)C)CC1 ZINC000520710152 336033380 /nfs/dbraw/zinc/03/33/80/336033380.db2.gz LEGIVKGMHNCJDS-INIZCTEOSA-N 0 3 307.482 3.247 10 30 DGEEHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(OCC)c(OC)cc1F ZINC000527701798 337757532 /nfs/dbraw/zinc/75/75/32/337757532.db2.gz AMWJCBBEGCLMAG-FZKQIMNGSA-N 0 3 323.408 3.304 10 30 DGEEHN C=CC[C@@H](C)[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000080203261 337823979 /nfs/dbraw/zinc/82/39/79/337823979.db2.gz CGENNWXHDHLSKH-SECBINFHSA-N 0 3 300.196 3.218 10 30 DGEEHN C=CCCc1ccccc1NC(=O)NC1CCN(CC)CC1 ZINC000505024330 340159122 /nfs/dbraw/zinc/15/91/22/340159122.db2.gz SQQAURUTKFRKOM-UHFFFAOYSA-N 0 3 301.434 3.411 10 30 DGEEHN C=CCCc1ccccc1NC(=O)NCCN1CCCCC1 ZINC000505057823 340160219 /nfs/dbraw/zinc/16/02/19/340160219.db2.gz MASGCPMGWPKVBI-UHFFFAOYSA-N 0 3 301.434 3.413 10 30 DGEEHN C=CCCC[C@H](C)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000552808430 341404962 /nfs/dbraw/zinc/40/49/62/341404962.db2.gz AHNMXOMSFSGZGU-KRWDZBQOSA-N 0 3 300.446 3.118 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(-c2ccccn2)s1 ZINC000449547573 534574765 /nfs/dbraw/zinc/57/47/65/534574765.db2.gz ITJYQCZCRCQTDD-HIFRSBDPSA-N 0 3 301.415 3.028 10 30 DGEEHN C=CCOc1ccc(CN2CCC[C@@H]3COCC[C@H]32)cc1OC ZINC000355135136 526867943 /nfs/dbraw/zinc/86/79/43/526867943.db2.gz NTOUANOYMZWDHU-IAGOWNOFSA-N 0 3 317.429 3.261 10 30 DGEEHN C=CCOc1cccc(CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000180124579 526897594 /nfs/dbraw/zinc/89/75/94/526897594.db2.gz ODJZXLXLSIBHLE-GOSISDBHSA-N 0 3 311.429 3.421 10 30 DGEEHN C=CC[C@@H](C)[C@@H](C)NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000349147651 527033731 /nfs/dbraw/zinc/03/37/31/527033731.db2.gz IIVJSOZZYMAPSF-CHWSQXEVSA-N 0 3 302.418 3.436 10 30 DGEEHN C=CCCCN(C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000339002895 527194497 /nfs/dbraw/zinc/19/44/97/527194497.db2.gz NHBLCSMKDAFUPL-YOEHRIQHSA-N 0 3 304.409 3.386 10 30 DGEEHN C=CC[C@H](CO)NCc1ccc(Cl)c(Br)c1 ZINC000184273655 527209435 /nfs/dbraw/zinc/20/94/35/527209435.db2.gz WJCYHDPBHNMGFK-SNVBAGLBSA-N 0 3 304.615 3.129 10 30 DGEEHN CC(=O)c1ccc(C#N)cc1N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000302054295 527231179 /nfs/dbraw/zinc/23/11/79/527231179.db2.gz PUMUBQCNMCKRBL-SJORKVTESA-N 0 3 311.429 3.212 10 30 DGEEHN CC(C)(C#N)CCCN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000159059483 527461754 /nfs/dbraw/zinc/46/17/54/527461754.db2.gz RHBIDNBCNPQWLZ-CQSZACIVSA-N 0 3 301.438 3.122 10 30 DGEEHN C=C[C@H](C)NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000128334924 527562235 /nfs/dbraw/zinc/56/22/35/527562235.db2.gz HPROKYQAWXPFLW-HNNXBMFYSA-N 0 3 301.434 3.046 10 30 DGEEHN C#CCOc1ccccc1CNCCN1[C@H](C)CCC[C@@H]1C ZINC000730818364 574536707 /nfs/dbraw/zinc/53/67/07/574536707.db2.gz QBPRHUYIDFYCFB-CALCHBBNSA-N 0 3 300.446 3.051 10 30 DGEEHN C=CCOc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000729685316 575260643 /nfs/dbraw/zinc/26/06/43/575260643.db2.gz HGMOJCUZXZLWQG-UHFFFAOYSA-N 0 3 308.381 3.444 10 30 DGEEHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]2C#N)C1 ZINC000299986138 656231303 /nfs/dbraw/zinc/23/13/03/656231303.db2.gz LMPYSHSFIAPEMV-BARDWOONSA-N 0 3 307.438 3.104 10 30 DGEEHN C=CCOCCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000183184891 657377765 /nfs/dbraw/zinc/37/77/65/657377765.db2.gz CAEFKODQJVOWSL-GOSISDBHSA-N 0 3 317.429 3.177 10 30 DGEEHN C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000239274588 659992221 /nfs/dbraw/zinc/99/22/21/659992221.db2.gz AKGKOJXDNANDPI-OIISXLGYSA-N 0 3 311.429 3.397 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@](C)(O)c1ccsc1 ZINC000077460837 662027807 /nfs/dbraw/zinc/02/78/07/662027807.db2.gz AMAZAUDHMVSIEA-QGZVFWFLSA-N 0 3 303.427 3.310 10 30 DGEEHN C(#Cc1ccccc1)CN[C@H](CN1CCCC1)c1ccccc1 ZINC000192150299 662088926 /nfs/dbraw/zinc/08/89/26/662088926.db2.gz CNHQZLLFAZAMPH-OAQYLSRUSA-N 0 3 304.437 3.465 10 30 DGEEHN C[C@@H](NCC#Cc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000192151887 662089129 /nfs/dbraw/zinc/08/91/29/662089129.db2.gz LUVWXZWUSJHQFY-OAHLLOKOSA-N 0 3 304.393 3.274 10 30 DGEEHN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)O1 ZINC000248196555 662336764 /nfs/dbraw/zinc/33/67/64/662336764.db2.gz LFIPHZHLVFKZGM-ISTRZQFTSA-N 0 3 322.364 3.055 10 30 DGEEHN CC[C@@H](C)N1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000123246216 1200275332 /nfs/dbraw/zinc/27/53/32/1200275332.db2.gz KSDDVZSCIZQSRM-GFCCVEGCSA-N 0 3 322.250 3.241 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CCC(CCC)CC2)CC1 ZINC000083216813 1197411630 /nfs/dbraw/zinc/41/16/30/1197411630.db2.gz DKGNEZZIPKIQQK-UHFFFAOYSA-N 0 3 307.482 3.249 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000129309951 432003444 /nfs/dbraw/zinc/00/34/44/432003444.db2.gz XPVUOPGVYBYVTP-HNNXBMFYSA-N 0 3 314.348 3.243 10 30 DGEEHN CC[C@@H]1CN(c2ccccc2)CCN1CCCSCC#N ZINC000184019126 529402770 /nfs/dbraw/zinc/40/27/70/529402770.db2.gz HVNOWVHIWRVQMU-MRXNPFEDSA-N 0 3 303.475 3.234 10 30 DGEEHN CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCCO1 ZINC000127997169 530014729 /nfs/dbraw/zinc/01/47/29/530014729.db2.gz YLVKVZCJJCTEPQ-GOSISDBHSA-N 0 3 324.428 3.075 10 30 DGEEHN CN1CCC(Oc2ccc(NCC(C)(C)CCC#N)cn2)CC1 ZINC000160130962 530051017 /nfs/dbraw/zinc/05/10/17/530051017.db2.gz LILIEFGQJNRJQW-UHFFFAOYSA-N 0 3 316.449 3.296 10 30 DGEEHN COc1ccccc1N1CC[C@H](N[C@H](C)c2cccc(C#N)c2)C1 ZINC000181890766 199363945 /nfs/dbraw/zinc/36/39/45/199363945.db2.gz ZPMGEBGMJWNNNW-QAPCUYQASA-N 0 3 321.424 3.496 10 30 DGEEHN COc1ccc(CN2CCCC2)cc1Oc1ccc(C#N)cn1 ZINC000067588306 432032712 /nfs/dbraw/zinc/03/27/12/432032712.db2.gz YNWLRLNSSIYKGN-UHFFFAOYSA-N 0 3 309.369 3.350 10 30 DGEEHN N#Cc1ccc(CNC[C@@H]2CCCCN2Cc2ccccc2)o1 ZINC000174322061 198319356 /nfs/dbraw/zinc/31/93/56/198319356.db2.gz YGUCCPPZWKGKPA-KRWDZBQOSA-N 0 3 309.413 3.296 10 30 DGEEHN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C ZINC000174528272 198348024 /nfs/dbraw/zinc/34/80/24/198348024.db2.gz PKFXZNCHHWHNAY-FZMZJTMJSA-N 0 3 320.824 3.158 10 30 DGEEHN N#C[C@H]1CC[C@@H](N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)C1 ZINC000328740330 283066167 /nfs/dbraw/zinc/06/61/67/283066167.db2.gz IJCUXGKOTBIVHA-CMPLNLGQSA-N 0 3 312.339 3.300 10 30 DGEEHN CCc1nccn1[C@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000135056455 432095844 /nfs/dbraw/zinc/09/58/44/432095844.db2.gz XCRQWPONUQHDKQ-KRWDZBQOSA-N 0 3 324.428 3.163 10 30 DGEEHN C[C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(C#N)s1 ZINC000135078310 432097964 /nfs/dbraw/zinc/09/79/64/432097964.db2.gz INIKKBFLYBYXJX-VXGBXAGGSA-N 0 3 316.405 3.083 10 30 DGEEHN CC(C)Cc1ccc([C@H](C)NCCC(=O)N(C)CCC#N)cc1 ZINC000181408110 432128590 /nfs/dbraw/zinc/12/85/90/432128590.db2.gz IEWPAHRSFXOMPR-INIZCTEOSA-N 0 3 315.461 3.298 10 30 DGEEHN C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(C#N)s1 ZINC000135078292 284460271 /nfs/dbraw/zinc/46/02/71/284460271.db2.gz INIKKBFLYBYXJX-NWDGAFQWSA-N 0 3 316.405 3.083 10 30 DGEEHN C=C(Cl)COc1ccc([C@H](C)N[C@H](C)Cn2cncn2)cc1 ZINC000268862830 207031682 /nfs/dbraw/zinc/03/16/82/207031682.db2.gz CCYLPQQOZSLFJB-KGLIPLIRSA-N 0 3 320.824 3.149 10 30 DGEEHN C=C(C)COc1ccc(Br)cc1CNCCOC ZINC000062730125 184251397 /nfs/dbraw/zinc/25/13/97/184251397.db2.gz KNWVSIULNYIPNW-UHFFFAOYSA-N 0 3 314.223 3.140 10 30 DGEEHN COc1cc(OC)cc([C@H]2CCN(CCCSCC#N)C2)c1 ZINC000177415804 533087356 /nfs/dbraw/zinc/08/73/56/533087356.db2.gz IZNUULWRFCXCGH-AWEZNQCLSA-N 0 3 320.458 3.140 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)C1(C(F)(F)F)CC1)C(C)C ZINC000586842422 400167433 /nfs/dbraw/zinc/16/74/33/400167433.db2.gz SXSRZQVAOKMGND-CYBMUJFWSA-N 0 3 318.383 3.144 10 30 DGEEHN C[C@H](NC1CCN(CC(F)F)CC1)c1ccc(C#N)cc1F ZINC000611587986 400428410 /nfs/dbraw/zinc/42/84/10/400428410.db2.gz NPSWPLXPUFYJEC-NSHDSACASA-N 0 3 311.351 3.077 10 30 DGEEHN Cn1ccnc1C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000618569929 400626232 /nfs/dbraw/zinc/62/62/32/400626232.db2.gz HXEHDUHMQUULSB-NJAFHUGGSA-N 0 3 308.429 3.376 10 30 DGEEHN C=CCN1CCC(NC(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC000592069062 400601634 /nfs/dbraw/zinc/60/16/34/400601634.db2.gz JNICCESJHWZKRG-UHFFFAOYSA-N 0 3 317.820 3.202 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000605875959 400886335 /nfs/dbraw/zinc/88/63/35/400886335.db2.gz DJNZECSKBLDOHY-SJLPKXTDSA-N 0 3 315.461 3.430 10 30 DGEEHN C=CCOCCNCc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000614246269 400862324 /nfs/dbraw/zinc/86/23/24/400862324.db2.gz GJZMBQOJEMTPML-UHFFFAOYSA-N 0 3 315.369 3.025 10 30 DGEEHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000594424580 401061960 /nfs/dbraw/zinc/06/19/60/401061960.db2.gz GFSSAFVGMUVNDN-GFCCVEGCSA-N 0 3 300.189 3.343 10 30 DGEEHN C=CCC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000248243265 401068545 /nfs/dbraw/zinc/06/85/45/401068545.db2.gz FUVAGZZUMKRDJG-QZTJIDSGSA-N 0 3 307.409 3.134 10 30 DGEEHN C=CCC1(CNCc2cccc(C(=O)OCC)n2)CCCC1 ZINC000600169298 401207185 /nfs/dbraw/zinc/20/71/85/401207185.db2.gz QUTAEDSDCDUCRB-UHFFFAOYSA-N 0 3 302.418 3.484 10 30 DGEEHN C=CC[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2ccccc2OC)C1 ZINC000625701408 401185898 /nfs/dbraw/zinc/18/58/98/401185898.db2.gz RDVYEXHVRMMTEZ-HZPDHXFCSA-N 0 3 316.445 3.113 10 30 DGEEHN C=C(C)COCCN[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000090450824 401266201 /nfs/dbraw/zinc/26/62/01/401266201.db2.gz ZGZXKRDIYQWULT-ZDUSSCGKSA-N 0 3 320.824 3.164 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000623566091 401547693 /nfs/dbraw/zinc/54/76/93/401547693.db2.gz GHZGWKGZNZOUAB-FUHWJXTLSA-N 0 3 315.461 3.205 10 30 DGEEHN C=C1CC(C)(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000633327444 401672802 /nfs/dbraw/zinc/67/28/02/401672802.db2.gz AONYCTCDBQQZFR-QGZVFWFLSA-N 0 3 312.457 3.323 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000171698831 432161911 /nfs/dbraw/zinc/16/19/11/432161911.db2.gz COMXPNSSYWTNCR-OAHLLOKOSA-N 0 3 315.461 3.260 10 30 DGEEHN CCN1CCC[C@@H](Nc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000171819263 432175489 /nfs/dbraw/zinc/17/54/89/432175489.db2.gz OOSLJAUIVMUTEI-CYBMUJFWSA-N 0 3 316.355 3.281 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)N[C@@H](C)c1ccccc1 ZINC000330251407 228985321 /nfs/dbraw/zinc/98/53/21/228985321.db2.gz HNYXNTJRQQAXIE-WRFANHODSA-N 0 3 302.418 3.250 10 30 DGEEHN C[C@@]1(CNc2cccnc2C#N)CCCN1Cc1ccccc1 ZINC000357434166 267117166 /nfs/dbraw/zinc/11/71/66/267117166.db2.gz CDNLOSSBCPSGBP-IBGZPJMESA-N 0 3 306.413 3.420 10 30 DGEEHN C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1n1ccnc1 ZINC000245575124 274300964 /nfs/dbraw/zinc/30/09/64/274300964.db2.gz HNJHZYFMABWZKK-CRAIPNDOSA-N 0 3 313.832 3.471 10 30 DGEEHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000162922108 274372383 /nfs/dbraw/zinc/37/23/83/274372383.db2.gz UHTJOEOZNFTHLQ-CZUORRHYSA-N 0 3 303.837 3.270 10 30 DGEEHN C=C(C)CN1CCC(Nc2nc3ccccc3n3cncc23)CC1 ZINC000623951706 429928536 /nfs/dbraw/zinc/92/85/36/429928536.db2.gz WZWVBDHYZCQIRH-UHFFFAOYSA-N 0 3 321.428 3.335 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000076735996 431562588 /nfs/dbraw/zinc/56/25/88/431562588.db2.gz SOEQPCXPOWGZMR-OAHLLOKOSA-N 0 3 313.445 3.113 10 30 DGEEHN Cc1cccc(NC[C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000119542434 431703698 /nfs/dbraw/zinc/70/36/98/431703698.db2.gz ANZQDUUFLKTHEO-MRXNPFEDSA-N 0 3 324.403 3.335 10 30 DGEEHN C=C[C@H](CC(=O)N(C)C[C@@H]1CCCN1CC)c1ccccc1 ZINC000119212344 431663191 /nfs/dbraw/zinc/66/31/91/431663191.db2.gz JLODSMFXIKDROA-AEFFLSMTSA-N 0 3 300.446 3.289 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000121077186 431742928 /nfs/dbraw/zinc/74/29/28/431742928.db2.gz MDQBDRCLLOQAKR-PQUAAJSLSA-N 0 3 305.466 3.204 10 30 DGEEHN N#Cc1cccc(CN(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123597728 431869011 /nfs/dbraw/zinc/86/90/11/431869011.db2.gz FUOZSBBJJYMIIV-IAGOWNOFSA-N 0 3 302.443 3.045 10 30 DGEEHN CC(C)Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122321126 431826810 /nfs/dbraw/zinc/82/68/10/431826810.db2.gz WXKBPIBXUYCVPK-HOTGVXAUSA-N 0 3 315.461 3.296 10 30 DGEEHN C[C@H](C#N)Oc1ccc(CN2CCC(c3ccnn3C)CC2)cc1 ZINC000092810363 431912390 /nfs/dbraw/zinc/91/23/90/431912390.db2.gz AGFQUVXTBZVYLR-OAHLLOKOSA-N 0 3 324.428 3.091 10 30 DGEEHN CN(CCC#N)c1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000093438324 431914415 /nfs/dbraw/zinc/91/44/15/431914415.db2.gz VPUVDOJERYLVPM-LJQANCHMSA-N 0 3 323.444 3.487 10 30 DGEEHN C=CCCCN(C)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000093533655 431916282 /nfs/dbraw/zinc/91/62/82/431916282.db2.gz BTGKCHNIEQDREZ-UHFFFAOYSA-N 0 3 316.445 3.086 10 30 DGEEHN N#CC(C(=O)c1ccccc1Br)c1ccccn1 ZINC000046439630 431897082 /nfs/dbraw/zinc/89/70/82/431897082.db2.gz PWZWERFJXTZPIQ-NSHDSACASA-N 0 3 301.143 3.334 10 30 DGEEHN C[C@@H](c1ccccc1)N1CCCN(c2ncccc2C#N)CC1 ZINC000098136866 431979501 /nfs/dbraw/zinc/97/95/01/431979501.db2.gz CDSDWUWRIRCWFV-INIZCTEOSA-N 0 3 306.413 3.227 10 30 DGEEHN N#Cc1ccc([C@@H](O)CN2CC=C(c3ccccc3)CC2)cc1 ZINC000126624070 431954660 /nfs/dbraw/zinc/95/46/60/431954660.db2.gz QRLAVKRYPOHLQL-FQEVSTJZSA-N 0 3 304.393 3.381 10 30 DGEEHN COc1cc(C#N)ccc1CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128071639 431987524 /nfs/dbraw/zinc/98/75/24/431987524.db2.gz KSGJZOVJEYSEDQ-SJORKVTESA-N 0 3 310.401 3.037 10 30 DGEEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C#N)s1)CC2 ZINC000183319533 432281826 /nfs/dbraw/zinc/28/18/26/432281826.db2.gz HFRFVPDVWWDZID-NEPJUHHUSA-N 0 3 315.446 3.000 10 30 DGEEHN C=CCOc1ccc(CNCC2(C)OCCCO2)cc1Cl ZINC000192252505 432349739 /nfs/dbraw/zinc/34/97/39/432349739.db2.gz JZEBJJLVGRPGKS-UHFFFAOYSA-N 0 3 311.809 3.148 10 30 DGEEHN CC(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000185229334 432480563 /nfs/dbraw/zinc/48/05/63/432480563.db2.gz MNKZUOZBBGCECI-MRXNPFEDSA-N 0 3 315.461 3.131 10 30 DGEEHN Cc1nc(C[C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)no1 ZINC000186204214 432568453 /nfs/dbraw/zinc/56/84/53/432568453.db2.gz VCIVTIURZLYWAU-INIZCTEOSA-N 0 3 310.401 3.013 10 30 DGEEHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000186323708 432583029 /nfs/dbraw/zinc/58/30/29/432583029.db2.gz KCXHCZIIOUUTQB-HNNXBMFYSA-N 0 3 317.396 3.298 10 30 DGEEHN CC(C)CN1CCN(c2cncc(C#C[Si](C)(C)C)c2)CC1 ZINC000208796719 432639534 /nfs/dbraw/zinc/63/95/34/432639534.db2.gz CRXMTGGZJDRPBC-UHFFFAOYSA-N 0 3 315.537 3.089 10 30 DGEEHN CN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245659610 432853923 /nfs/dbraw/zinc/85/39/23/432853923.db2.gz PJOFTVDUSMKQJX-ZWKOTPCHSA-N 0 3 320.396 3.125 10 30 DGEEHN Cc1cc(C)cc(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000330240498 432899934 /nfs/dbraw/zinc/89/99/34/432899934.db2.gz FFYPBSYFYKRZBO-XKQJLSEDSA-N 0 3 302.418 3.437 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C3CC3)n2)CC1 ZINC000297148128 432965187 /nfs/dbraw/zinc/96/51/87/432965187.db2.gz ZVENXTLPZLJNCB-UHFFFAOYSA-N 0 3 314.433 3.121 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453335761 433099046 /nfs/dbraw/zinc/09/90/46/433099046.db2.gz FVBHELIRCCOTAS-GMBSWORKSA-N 0 3 311.429 3.471 10 30 DGEEHN C=CCN1CCC(Nc2ccnc3cc(F)c(OC)cc32)CC1 ZINC000280831619 433191825 /nfs/dbraw/zinc/19/18/25/433191825.db2.gz ZEOPQZKOVYWKBE-UHFFFAOYSA-N 0 3 315.392 3.445 10 30 DGEEHN N#Cc1ccnc(NC[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000341939525 433372934 /nfs/dbraw/zinc/37/29/34/433372934.db2.gz ZXXUZHXSMJDNGI-GOSISDBHSA-N 0 3 306.413 3.420 10 30 DGEEHN C=CCCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000447990467 433343986 /nfs/dbraw/zinc/34/39/86/433343986.db2.gz RUJGXQFEAJCSTC-NVXWUHKLSA-N 0 3 301.434 3.087 10 30 DGEEHN C=CCCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000448391724 433405358 /nfs/dbraw/zinc/40/53/58/433405358.db2.gz UUTUWGPXSRUOQW-GOSISDBHSA-N 0 3 315.461 3.259 10 30 DGEEHN C(#Cc1ccccc1)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000281957116 433441320 /nfs/dbraw/zinc/44/13/20/433441320.db2.gz FXZBLOPBRLMERZ-IBGZPJMESA-N 0 3 319.452 3.451 10 30 DGEEHN CCN1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000301249511 433467588 /nfs/dbraw/zinc/46/75/88/433467588.db2.gz BTVCCQNCYPEVBY-GFCCVEGCSA-N 0 3 312.339 3.258 10 30 DGEEHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)N(C)C(=O)OC(C)(C)C ZINC000283190680 433683771 /nfs/dbraw/zinc/68/37/71/433683771.db2.gz KNSWNXILUVXMMU-KGLIPLIRSA-N 0 3 317.433 3.464 10 30 DGEEHN Cc1cc(NC[C@@H](C)N2CCc3ccccc3C2)c(C#N)c(C)n1 ZINC000301797220 433729635 /nfs/dbraw/zinc/72/96/35/433729635.db2.gz UEAHEUZHLTVLNB-OAHLLOKOSA-N 0 3 320.440 3.429 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000343503833 433811072 /nfs/dbraw/zinc/81/10/72/433811072.db2.gz LUCNWHQLBMDUMY-SMDDNHRTSA-N 0 3 300.324 3.004 10 30 DGEEHN Cc1cc(C#N)cc(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000303741918 433963542 /nfs/dbraw/zinc/96/35/42/433963542.db2.gz VLSCTZHPJGBDLY-SFHVURJKSA-N 0 3 306.413 3.338 10 30 DGEEHN C=CC[C@@H](CO)N[C@H](C)c1cc(C)c(Br)s1 ZINC000286001772 434130105 /nfs/dbraw/zinc/13/01/05/434130105.db2.gz OWVDXDUXGSZBRA-ZJUUUORDSA-N 0 3 304.253 3.407 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000358394089 434393723 /nfs/dbraw/zinc/39/37/23/434393723.db2.gz FXASCOBGTQURFC-HKUYNNGSSA-N 0 3 302.462 3.398 10 30 DGEEHN CC[S@](=O)[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358560635 434395013 /nfs/dbraw/zinc/39/50/13/434395013.db2.gz FKNYPKLQLMNYAD-VHAXZPJVSA-N 0 3 322.449 3.428 10 30 DGEEHN C[C@@H](NCCOc1ncccc1Cl)c1ccc(C#N)cc1F ZINC000358595800 434399821 /nfs/dbraw/zinc/39/98/21/434399821.db2.gz UZGFSPNQVNKIJS-LLVKDONJSA-N 0 3 319.767 3.475 10 30 DGEEHN C=C(C)CN(CCCc1cc(CC)no1)Cc1ccc(CO)o1 ZINC000450984201 434517526 /nfs/dbraw/zinc/51/75/26/434517526.db2.gz VASWAMFTQXRMCC-UHFFFAOYSA-N 0 3 318.417 3.333 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000424291627 434680785 /nfs/dbraw/zinc/68/07/85/434680785.db2.gz DWYMIZTXDAAVJS-WQGACYEGSA-N 0 3 319.836 3.468 10 30 DGEEHN C=CCC1(C(=O)Nc2cccc(CN(C)C)c2)CCOCC1 ZINC000424579887 434748506 /nfs/dbraw/zinc/74/85/06/434748506.db2.gz CYXJZFIQEFNFCH-UHFFFAOYSA-N 0 3 302.418 3.060 10 30 DGEEHN Cc1ccc(C[C@H](CO)N[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000467415084 435119656 /nfs/dbraw/zinc/11/96/56/435119656.db2.gz CUFMKYYVMBSEHG-RHSMWYFYSA-N 0 3 312.388 3.260 10 30 DGEEHN C=CCCCN(C)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000533434915 435236291 /nfs/dbraw/zinc/23/62/91/435236291.db2.gz JVRFNPKXUIYQHH-GOSISDBHSA-N 0 3 302.462 3.440 10 30 DGEEHN COc1ccc(OCCN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512653768 435364138 /nfs/dbraw/zinc/36/41/38/435364138.db2.gz GSBLTBZRBMMVNZ-ZDUSSCGKSA-N 0 3 314.360 3.436 10 30 DGEEHN C=CCNC(=O)N(CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000513897022 435403937 /nfs/dbraw/zinc/40/39/37/435403937.db2.gz JFDILVMZABQXIK-SFHVURJKSA-N 0 3 315.461 3.259 10 30 DGEEHN C=CCCC[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000538364783 435495519 /nfs/dbraw/zinc/49/55/19/435495519.db2.gz JOHSYAOUTCMDSK-WMZOPIPTSA-N 0 3 317.477 3.203 10 30 DGEEHN Cn1nccc1[C@@H]1CCCCN1CCCC1(C#N)CCOCC1 ZINC000369615221 303072391 /nfs/dbraw/zinc/07/23/91/303072391.db2.gz KAFKOGISJAWQOV-KRWDZBQOSA-N 0 3 316.449 3.048 10 30 DGEEHN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1OC(F)F ZINC000185770907 533699599 /nfs/dbraw/zinc/69/95/99/533699599.db2.gz GTBLUGKTYYKDHR-YPMHNXCESA-N 0 3 310.344 3.469 10 30 DGEEHN Cc1cc(CN(C)C)cc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000534709945 313679207 /nfs/dbraw/zinc/67/92/07/313679207.db2.gz PMHAHFNRLVNXLW-UHFFFAOYSA-N 0 3 307.397 3.110 10 30 DGEEHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc(C#N)cc1 ZINC000551425896 314561311 /nfs/dbraw/zinc/56/13/11/314561311.db2.gz PIILUJIVKWNDSR-KXBFYZLASA-N 0 3 322.408 3.068 10 30 DGEEHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(-n2ccnn2)cc1 ZINC000182014859 323279882 /nfs/dbraw/zinc/27/98/82/323279882.db2.gz DXLXJTQCWWECBV-CYBMUJFWSA-N 0 3 321.359 3.129 10 30 DGEEHN C=CCOc1ccccc1CNC[C@H]1NCCc2ccccc21 ZINC000414956718 334209638 /nfs/dbraw/zinc/20/96/38/334209638.db2.gz OXSSBRPWHNXNIC-LJQANCHMSA-N 0 3 308.425 3.228 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C(C)C)CC1 ZINC000519301574 335832051 /nfs/dbraw/zinc/83/20/51/335832051.db2.gz LOFREVMODZPNFK-IRXDYDNUSA-N 0 3 307.482 3.151 10 30 DGEEHN C=CCCCN(C)CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000076738475 341213516 /nfs/dbraw/zinc/21/35/16/341213516.db2.gz KLTZKJJHSCGESE-LJQANCHMSA-N 0 3 316.445 3.161 10 30 DGEEHN C=CCCCNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000576190105 341832064 /nfs/dbraw/zinc/83/20/64/341832064.db2.gz JWXUCKHFEREAKG-UHFFFAOYSA-N 0 3 307.869 3.148 10 30 DGEEHN C=CC[C@@H](C)NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000488921569 534885964 /nfs/dbraw/zinc/88/59/64/534885964.db2.gz ROIBBPSMBPSZQB-VQIMIIECSA-N 0 3 315.461 3.305 10 30 DGEEHN C=C(C)COCCN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358967620 526655766 /nfs/dbraw/zinc/65/57/66/526655766.db2.gz UCGFYHUZWSNIDF-GOSISDBHSA-N 0 3 311.429 3.432 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000341483281 526692559 /nfs/dbraw/zinc/69/25/59/526692559.db2.gz KBDYQNXKSCBCAO-AEFFLSMTSA-N 0 3 300.446 3.322 10 30 DGEEHN C=CCOc1ccc(CN(C)Cc2ccc(C(=O)NC)cc2)cc1 ZINC000349640595 526861891 /nfs/dbraw/zinc/86/18/91/526861891.db2.gz HRRYJNUSAUHBGW-UHFFFAOYSA-N 0 3 324.424 3.243 10 30 DGEEHN C=CCOc1ccc(CN[C@@H](CC)[C@H](O)C(F)(F)F)cc1 ZINC000345840218 526888181 /nfs/dbraw/zinc/88/81/81/526888181.db2.gz HSTCYBFUNGXLTA-KBPBESRZSA-N 0 3 303.324 3.043 10 30 DGEEHN C=CCOc1ccc(CN[C@H](CC)[C@@H](O)C(F)(F)F)cc1 ZINC000345840223 526890637 /nfs/dbraw/zinc/89/06/37/526890637.db2.gz HSTCYBFUNGXLTA-ZIAGYGMSSA-N 0 3 303.324 3.043 10 30 DGEEHN C=CCOc1cccc(CN2CCC(c3ccnn3C)CC2)c1 ZINC000128168063 526897520 /nfs/dbraw/zinc/89/75/20/526897520.db2.gz KQYVQFWQMUODIE-UHFFFAOYSA-N 0 3 311.429 3.365 10 30 DGEEHN C=CCCCN(C)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000339002892 527193775 /nfs/dbraw/zinc/19/37/75/527193775.db2.gz NHBLCSMKDAFUPL-PBHICJAKSA-N 0 3 304.409 3.386 10 30 DGEEHN C=CCc1cc(CN2CCC[C@@H]3COCC[C@@H]32)cc(OC)c1O ZINC000355116069 527237709 /nfs/dbraw/zinc/23/77/09/527237709.db2.gz SAGQTJPLABYPIH-SJORKVTESA-N 0 3 317.429 3.130 10 30 DGEEHN CC(C)c1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)cc1 ZINC000179362897 528130571 /nfs/dbraw/zinc/13/05/71/528130571.db2.gz IZAWMJFSYFMMEJ-OAHLLOKOSA-N 0 3 301.434 3.223 10 30 DGEEHN COc1ccc2c(c1)[C@H](NCCOc1ccc(C#N)cc1)CC2 ZINC000181154792 546154396 /nfs/dbraw/zinc/15/43/96/546154396.db2.gz AWASAVUBESZNJR-LJQANCHMSA-N 0 3 308.381 3.223 10 30 DGEEHN C=CC1CCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181308864 546155406 /nfs/dbraw/zinc/15/54/06/546155406.db2.gz CBBYTRXBQVMFGX-INIZCTEOSA-N 0 3 315.461 3.115 10 30 DGEEHN C#CCOc1ccccc1CNCCN1[C@@H](C)CCC[C@@H]1C ZINC000730818366 574536772 /nfs/dbraw/zinc/53/67/72/574536772.db2.gz QBPRHUYIDFYCFB-IRXDYDNUSA-N 0 3 300.446 3.051 10 30 DGEEHN Cc1cc(C)nc(N=NC2CCN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000734363336 574658033 /nfs/dbraw/zinc/65/80/33/574658033.db2.gz ZABPQBYJGOAEMY-AWEZNQCLSA-N 0 3 323.444 3.403 10 30 DGEEHN CC(C)(C)CN(CCO)Cc1cc(Cl)ccc1OCC#N ZINC000735308970 574696686 /nfs/dbraw/zinc/69/66/86/574696686.db2.gz AJBWMAOWQLHUKC-UHFFFAOYSA-N 0 3 310.825 3.083 10 30 DGEEHN CCN(Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCOC1 ZINC000735311683 574697177 /nfs/dbraw/zinc/69/71/77/574697177.db2.gz UDIRFAPENWWUDO-ZDUSSCGKSA-N 0 3 308.809 3.101 10 30 DGEEHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H](C)SC ZINC000728766879 576199564 /nfs/dbraw/zinc/19/95/64/576199564.db2.gz OFZYDIDWYPBLRL-RISCZKNCSA-N 0 3 318.442 3.210 10 30 DGEEHN N#CC(C(=O)C[C@H]1CCCc2ccccc21)C(=O)NC1CCCC1 ZINC000171777058 659297623 /nfs/dbraw/zinc/29/76/23/659297623.db2.gz GCOMUGTYJZICFX-QAPCUYQASA-N 0 3 324.424 3.264 10 30 DGEEHN N#CC(C(=O)CCCOCCc1ccccc1)c1ccccn1 ZINC000069952415 660031231 /nfs/dbraw/zinc/03/12/31/660031231.db2.gz ZKUNEGNPCSNHSS-KRWDZBQOSA-N 0 3 308.381 3.297 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H](C)CNC(=O)OC(C)(C)C ZINC000227683925 685118722 /nfs/dbraw/zinc/11/87/22/685118722.db2.gz AEOVFIDOUGHASM-AWEZNQCLSA-N 0 3 320.433 3.254 10 30 DGEEHN CC[C@@H](C)N(Cc1cc(C#CCO)cs1)Cc1ccncc1 ZINC000063846056 432007678 /nfs/dbraw/zinc/00/76/78/432007678.db2.gz NMAUXXVLATTWHD-OAHLLOKOSA-N 0 3 314.454 3.288 10 30 DGEEHN CN(Cc1ccc(F)c(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310479151 529986662 /nfs/dbraw/zinc/98/66/62/529986662.db2.gz DJGWOHYYHAQBCE-IBGZPJMESA-N 0 3 323.415 3.404 10 30 DGEEHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328840186 530051588 /nfs/dbraw/zinc/05/15/88/530051588.db2.gz UMHUYJGJWLUQOM-KGLIPLIRSA-N 0 3 309.454 3.353 10 30 DGEEHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152496213 186079780 /nfs/dbraw/zinc/07/97/80/186079780.db2.gz VCNUXZFLCCCWOF-DZGCQCFKSA-N 0 3 322.836 3.089 10 30 DGEEHN COc1ccc(CN[C@H](C)COCc2ccccc2)cc1C#N ZINC000174619591 198360752 /nfs/dbraw/zinc/36/07/52/198360752.db2.gz UWGRHUNHWWYXDK-OAHLLOKOSA-N 0 3 310.397 3.262 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000180198224 199129288 /nfs/dbraw/zinc/12/92/88/199129288.db2.gz ZSXLACOJPHWSIL-RTBURBONSA-N 0 3 319.408 3.042 10 30 DGEEHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000187703675 200147213 /nfs/dbraw/zinc/14/72/13/200147213.db2.gz VOLFHEDFIKMSTH-BBRMVZONSA-N 0 3 300.402 3.283 10 30 DGEEHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000281216192 216160049 /nfs/dbraw/zinc/16/00/49/216160049.db2.gz KAUUKZOGGIOLET-NXHRZFHOSA-N 0 3 302.393 3.213 10 30 DGEEHN N#Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1F ZINC000281398192 216271823 /nfs/dbraw/zinc/27/18/23/216271823.db2.gz NHPQDODYGXHJOU-JQHSSLGASA-N 0 3 302.393 3.213 10 30 DGEEHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CCCC3)CC1 ZINC000455748413 242275731 /nfs/dbraw/zinc/27/57/31/242275731.db2.gz YKSCKYQFIPTHQS-UHFFFAOYSA-N 0 3 313.445 3.337 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NC2(C3CCC3)CCC2)CC1 ZINC000458313054 243027256 /nfs/dbraw/zinc/02/72/56/243027256.db2.gz CCTUIQHFXZGAAV-UHFFFAOYSA-N 0 3 305.466 3.049 10 30 DGEEHN CC(C)Cc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)cc1 ZINC000181408090 432128806 /nfs/dbraw/zinc/12/88/06/432128806.db2.gz IEWPAHRSFXOMPR-MRXNPFEDSA-N 0 3 315.461 3.298 10 30 DGEEHN C=CCN[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494204155 246120351 /nfs/dbraw/zinc/12/03/51/246120351.db2.gz HTHGBEWAMHVUDG-HOCLYGCPSA-N 0 3 310.800 3.305 10 30 DGEEHN CN(CCN(CCC#N)Cc1ccco1)Cc1ccc(F)cc1 ZINC000181729724 432143950 /nfs/dbraw/zinc/14/39/50/432143950.db2.gz HPWNXHOQZNBACA-UHFFFAOYSA-N 0 3 315.392 3.266 10 30 DGEEHN CCc1nccn1[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000106212615 194190101 /nfs/dbraw/zinc/19/01/01/194190101.db2.gz BVEQNVOFNKSFNT-KRWDZBQOSA-N 0 3 324.428 3.033 10 30 DGEEHN CCc1nccn1[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000106217167 194190869 /nfs/dbraw/zinc/19/08/69/194190869.db2.gz XRKFSOPVNDAYOX-QGZVFWFLSA-N 0 3 324.428 3.033 10 30 DGEEHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)Cn2cncn2)cc1 ZINC000268862828 207030439 /nfs/dbraw/zinc/03/04/39/207030439.db2.gz CCYLPQQOZSLFJB-KBPBESRZSA-N 0 3 320.824 3.149 10 30 DGEEHN N#Cc1ccc(OCCNC/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000255306025 285144126 /nfs/dbraw/zinc/14/41/26/285144126.db2.gz IZQBUUFGKPVGHB-HYXAFXHYSA-N 0 3 323.352 3.148 10 30 DGEEHN Cc1cnn([C@H]2CCCN(CCCOc3cccc(C#N)c3)C2)c1 ZINC000156232223 197097116 /nfs/dbraw/zinc/09/71/16/197097116.db2.gz DBWDGFNZHJVOLR-SFHVURJKSA-N 0 3 324.428 3.169 10 30 DGEEHN C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000183211379 533341477 /nfs/dbraw/zinc/34/14/77/533341477.db2.gz JROXLLBBNAQBLW-IUODEOHRSA-N 0 3 313.319 3.094 10 30 DGEEHN Cc1ccc(NC(=O)C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000616177060 400095675 /nfs/dbraw/zinc/09/56/75/400095675.db2.gz AQLVYLRCXBLXGO-LBPRGKRZSA-N 0 3 300.387 3.216 10 30 DGEEHN C=C[C@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617011931 400274395 /nfs/dbraw/zinc/27/43/95/400274395.db2.gz PJCFSUAVDKUBSF-NVXWUHKLSA-N 0 3 300.446 3.335 10 30 DGEEHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114494601 400387574 /nfs/dbraw/zinc/38/75/74/400387574.db2.gz CIIIUAOFQLZEEJ-QRQLOZEOSA-N 0 3 317.477 3.252 10 30 DGEEHN CC[C@@H](C#N)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601728982 400341938 /nfs/dbraw/zinc/34/19/38/400341938.db2.gz RXCQCUQZUUUXEB-ZWKOTPCHSA-N 0 3 313.445 3.097 10 30 DGEEHN CC(C)c1ccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000042979346 400448675 /nfs/dbraw/zinc/44/86/75/400448675.db2.gz AGVHZVAWUUMLLL-AUUYWEPGSA-N 0 3 313.445 3.269 10 30 DGEEHN C=CCSCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000602545964 400492941 /nfs/dbraw/zinc/49/29/41/400492941.db2.gz UMZHKICYQKBDIP-UHFFFAOYSA-N 0 3 319.396 3.247 10 30 DGEEHN C#CC[C@H](N)c1cc(Br)c(Br)s1 ZINC000168567523 400758348 /nfs/dbraw/zinc/75/83/48/400758348.db2.gz WGLAPDJLYMMGPV-LURJTMIESA-N 0 3 309.026 3.296 10 30 DGEEHN C=CCCCN(C)Cc1cn2cc(Br)ccc2n1 ZINC000605740752 400884505 /nfs/dbraw/zinc/88/45/05/400884505.db2.gz YKPNHZAYMSTIHH-UHFFFAOYSA-N 0 3 308.223 3.495 10 30 DGEEHN CCN(CCC#N)C(=O)CN[C@@H]1c2ccccc2CCC1(C)C ZINC000183224659 400900052 /nfs/dbraw/zinc/90/00/52/400900052.db2.gz PJMPSVPKSGGAMB-GOSISDBHSA-N 0 3 313.445 3.052 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@@H](C)[C@@H](OC)C2)cc1OC ZINC000188302993 400908140 /nfs/dbraw/zinc/90/81/40/400908140.db2.gz HSWKJQUDTAHBDS-KDOFPFPSSA-N 0 3 305.418 3.117 10 30 DGEEHN C[C@@]1(/[N+]([O-])=C/c2ccc(Br)cc2)CCCCC1=O ZINC000225399016 400956429 /nfs/dbraw/zinc/95/64/29/400956429.db2.gz PNTOHYMFZCUJFH-KWZJRMENSA-N 0 3 311.199 3.172 10 30 DGEEHN N#CCCCC[C@H](N)C(=O)NCc1c(Cl)cccc1Cl ZINC000594428093 401064912 /nfs/dbraw/zinc/06/49/12/401064912.db2.gz LCJLWSCTMATFJD-ZDUSSCGKSA-N 0 3 314.216 3.021 10 30 DGEEHN C=C(C)COCCN[C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594497528 401081711 /nfs/dbraw/zinc/08/17/11/401081711.db2.gz DJEJEOKNYFIFJR-KRWDZBQOSA-N 0 3 303.402 3.033 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccc(OCC)cc1 ZINC000630023954 401160151 /nfs/dbraw/zinc/16/01/51/401160151.db2.gz QHHSVUJFMBKHRC-CVEARBPZSA-N 0 3 316.445 3.325 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000594968969 401213165 /nfs/dbraw/zinc/21/31/65/401213165.db2.gz YCCCHSPBUAOZLR-WHSLLNHNSA-N 0 3 307.459 3.031 10 30 DGEEHN C=CC[C@H]1CCN(CC(=O)N2CCc3sccc3[C@@H]2CC)C1 ZINC000625702842 401185880 /nfs/dbraw/zinc/18/58/80/401185880.db2.gz JFJBWWNFESBKGU-HOCLYGCPSA-N 0 3 318.486 3.482 10 30 DGEEHN C=CC[C@@H]1CCN(CC(=O)N2CCc3sccc3[C@H]2CC)C1 ZINC000625702838 401186292 /nfs/dbraw/zinc/18/62/92/401186292.db2.gz JFJBWWNFESBKGU-GDBMZVCRSA-N 0 3 318.486 3.482 10 30 DGEEHN C=C1CC(C)(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000632041911 401573257 /nfs/dbraw/zinc/57/32/57/401573257.db2.gz AMFJCYTZNAGVOW-HNNXBMFYSA-N 0 3 313.445 3.080 10 30 DGEEHN C=C(C)COc1cc(CN[C@H]2CO[C@@H](C3CC3)C2)ccc1OC ZINC000623753014 401576233 /nfs/dbraw/zinc/57/62/33/401576233.db2.gz PWIHHAZKZDIZNM-SJLPKXTDSA-N 0 3 317.429 3.307 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(OC2CC2)c1 ZINC000623539959 401542202 /nfs/dbraw/zinc/54/22/02/401542202.db2.gz FGGNXSLEMLPYTH-CVEARBPZSA-N 0 3 303.402 3.060 10 30 DGEEHN C=CCC1(NCc2cc(OCC)c(OC)cc2F)CCOCC1 ZINC000623564503 401547699 /nfs/dbraw/zinc/54/76/99/401547699.db2.gz FZDMKWINPGGXQA-UHFFFAOYSA-N 0 3 323.408 3.448 10 30 DGEEHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624544783 401669922 /nfs/dbraw/zinc/66/99/22/401669922.db2.gz DDSVWBDEMONJBT-FGTMMUONSA-N 0 3 317.477 3.286 10 30 DGEEHN C[C@@H](NCc1ccc(CO)c(F)c1)c1ccc(OCC#N)cc1 ZINC000181565759 228363549 /nfs/dbraw/zinc/36/35/49/228363549.db2.gz BXCXAFAWQQZDDT-CYBMUJFWSA-N 0 3 314.360 3.071 10 30 DGEEHN C[C@H](N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(C#N)cc1F ZINC000358580428 270004116 /nfs/dbraw/zinc/00/41/16/270004116.db2.gz XVHDNNIHLIJDOE-DZGCQCFKSA-N 0 3 318.392 3.076 10 30 DGEEHN N#Cc1ccc(CN[C@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000151259673 432233473 /nfs/dbraw/zinc/23/34/73/432233473.db2.gz BQIOOXMWSLVUII-NSHDSACASA-N 0 3 318.833 3.037 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1cc(CC)on1)C(C)C ZINC000606956771 425070860 /nfs/dbraw/zinc/07/08/60/425070860.db2.gz AAMSTOMNODEVLY-HNNXBMFYSA-N 0 3 320.437 3.057 10 30 DGEEHN C[C@H](CC(=O)OC(C)(C)C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358566052 267146320 /nfs/dbraw/zinc/14/63/20/267146320.db2.gz ICOGHEPHQVVFAM-NEPJUHHUSA-N 0 3 306.381 3.468 10 30 DGEEHN Cc1c([C@@H](C)NCCOc2ccc(C#N)cc2)cnn1C(C)C ZINC000191372946 432256625 /nfs/dbraw/zinc/25/66/25/432256625.db2.gz SODJWOYVVMVIBT-CQSZACIVSA-N 0 3 312.417 3.374 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000076735858 431560496 /nfs/dbraw/zinc/56/04/96/431560496.db2.gz CCCKFQVUVPLRJR-AWEZNQCLSA-N 0 3 322.424 3.079 10 30 DGEEHN C=CCCCN(C)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000076734476 431560656 /nfs/dbraw/zinc/56/06/56/431560656.db2.gz XEZJIZIFNUCOJR-OAHLLOKOSA-N 0 3 306.475 3.482 10 30 DGEEHN Cc1cc(C)c(CNCc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000123505437 431867502 /nfs/dbraw/zinc/86/75/02/431867502.db2.gz XTTGAYLZWFGVKX-UHFFFAOYSA-N 0 3 304.397 3.421 10 30 DGEEHN C#CCCOc1ccc(CN2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000093691329 431916823 /nfs/dbraw/zinc/91/68/23/431916823.db2.gz JXTUMMSSLWAVRQ-FQEVSTJZSA-N 0 3 322.408 3.137 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000128353563 431992248 /nfs/dbraw/zinc/99/22/48/431992248.db2.gz BKYTWFNTZPIRDG-WMZOPIPTSA-N 0 3 315.461 3.115 10 30 DGEEHN COC(=O)[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000249157249 432341519 /nfs/dbraw/zinc/34/15/19/432341519.db2.gz YZRWVPUDPZFSCZ-GDBMZVCRSA-N 0 3 314.429 3.119 10 30 DGEEHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000249402953 432347127 /nfs/dbraw/zinc/34/71/27/432347127.db2.gz VOLFHEDFIKMSTH-XJKSGUPXSA-N 0 3 300.402 3.283 10 30 DGEEHN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1CCCC1 ZINC000184653644 432417238 /nfs/dbraw/zinc/41/72/38/432417238.db2.gz WZSSUGTZSJAHSE-LLVKDONJSA-N 0 3 305.809 3.318 10 30 DGEEHN CC(C)C[C@H](CO)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185341424 432492300 /nfs/dbraw/zinc/49/23/00/432492300.db2.gz DKVDCGJVBGKFMS-MRXNPFEDSA-N 0 3 313.363 3.396 10 30 DGEEHN C=CCCCCCN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000193337582 432466099 /nfs/dbraw/zinc/46/60/99/432466099.db2.gz WUZYDDJHFCGAHC-UHFFFAOYSA-N 0 3 318.465 3.201 10 30 DGEEHN N#Cc1ccc([C@@H](O)CN2Cc3ccccc3C3(CC3)C2)cc1 ZINC000186151214 432563534 /nfs/dbraw/zinc/56/35/34/432563534.db2.gz VYBBNBGYGXUGBV-IBGZPJMESA-N 0 3 304.393 3.139 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000185919612 432546294 /nfs/dbraw/zinc/54/62/94/432546294.db2.gz KJZYOVIFJVRCGK-HZPDHXFCSA-N 0 3 315.461 3.326 10 30 DGEEHN CCn1cc(C2CCN(Cc3ccc(C#N)cc3C)CC2)cn1 ZINC000186194693 432567467 /nfs/dbraw/zinc/56/74/67/432567467.db2.gz GBGSZCCMWJXTGP-UHFFFAOYSA-N 0 3 308.429 3.463 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186700436 432624550 /nfs/dbraw/zinc/62/45/50/432624550.db2.gz NUCGRGQYFCYPSJ-HOCLYGCPSA-N 0 3 306.425 3.404 10 30 DGEEHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000186712451 432624990 /nfs/dbraw/zinc/62/49/90/432624990.db2.gz HJXFCQXRLJJXEA-CMPLNLGQSA-N 0 3 314.223 3.045 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000186712421 432625157 /nfs/dbraw/zinc/62/51/57/432625157.db2.gz HJXFCQXRLJJXEA-JQWIXIFHSA-N 0 3 314.223 3.045 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245614675 432850508 /nfs/dbraw/zinc/85/05/08/432850508.db2.gz CNXZWJQYWFVOFF-DLBZAZTESA-N 0 3 301.434 3.039 10 30 DGEEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245700055 432856502 /nfs/dbraw/zinc/85/65/02/432856502.db2.gz CXNAKRDECKAQOZ-QAPCUYQASA-N 0 3 324.428 3.147 10 30 DGEEHN C#Cc1ccc(CNCc2ccc(N3CCCCC3=O)cc2)cc1 ZINC000289206613 432933927 /nfs/dbraw/zinc/93/39/27/432933927.db2.gz IDTKVQVDHHDJNX-UHFFFAOYSA-N 0 3 318.420 3.475 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000330211654 432897563 /nfs/dbraw/zinc/89/75/63/432897563.db2.gz DDGKPDUSLJKLJF-BXMYJNTISA-N 0 3 308.466 3.313 10 30 DGEEHN Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000330235245 432898806 /nfs/dbraw/zinc/89/88/06/432898806.db2.gz TUUAUIYWCPUBTH-PJODQICGSA-N 0 3 306.381 3.268 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)Nc2ccc3cnccc3c2)CC1 ZINC000297037152 432951404 /nfs/dbraw/zinc/95/14/04/432951404.db2.gz VLDDYRVZNFZWIM-UHFFFAOYSA-N 0 3 324.428 3.397 10 30 DGEEHN C=CCOc1ccc(CN(C(C)C)[C@H]2CCOC2)cc1OC ZINC000291366433 433232566 /nfs/dbraw/zinc/23/25/66/433232566.db2.gz YYCAUFMLFQPAKB-INIZCTEOSA-N 0 3 305.418 3.259 10 30 DGEEHN C=CCCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000447982023 433336271 /nfs/dbraw/zinc/33/62/71/433336271.db2.gz IASDKPWCCZKNGR-UHFFFAOYSA-N 0 3 315.461 3.089 10 30 DGEEHN C=CCCCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000447993057 433344122 /nfs/dbraw/zinc/34/41/22/433344122.db2.gz YIJLDRJKSRRKRQ-UHFFFAOYSA-N 0 3 315.461 3.438 10 30 DGEEHN C=CCC[C@H](NC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000375176916 433384037 /nfs/dbraw/zinc/38/40/37/433384037.db2.gz XYPLYAHCPNIVTR-SFHVURJKSA-N 0 3 313.445 3.184 10 30 DGEEHN Cc1ccc([C@@H](CNc2ccc(C)c(C#N)n2)N2CCCC2)o1 ZINC000302627004 433829308 /nfs/dbraw/zinc/82/93/08/433829308.db2.gz IIALJPYCFCZVCT-MRXNPFEDSA-N 0 3 310.401 3.412 10 30 DGEEHN CC#CCCCC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000376953410 433841076 /nfs/dbraw/zinc/84/10/76/433841076.db2.gz FNTHFGFABZPXDJ-GOSISDBHSA-N 0 3 312.457 3.303 10 30 DGEEHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1ccccc1 ZINC000285100022 433920402 /nfs/dbraw/zinc/92/04/02/433920402.db2.gz LTKZOBPROUFCSN-VQIMIIECSA-N 0 3 306.409 3.238 10 30 DGEEHN C=CCc1cc(CN[C@H]2CCCC[C@@H]2OC)cc(OC)c1O ZINC000362965965 433934622 /nfs/dbraw/zinc/93/46/22/433934622.db2.gz HRJLHZRMRWEWLJ-HOTGVXAUSA-N 0 3 305.418 3.177 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)c1[nH]ccc1C1CC1)C(C)C ZINC000457550434 434232889 /nfs/dbraw/zinc/23/28/89/434232889.db2.gz CHNNJNFBFPZJPK-QGZVFWFLSA-N 0 3 315.461 3.321 10 30 DGEEHN C#CCOc1ccccc1CN[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000365129826 434287760 /nfs/dbraw/zinc/28/77/60/434287760.db2.gz DGZOBLGOEYHPKC-GOSISDBHSA-N 0 3 323.440 3.123 10 30 DGEEHN Cc1nc(C(C)C)oc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000328835563 434318713 /nfs/dbraw/zinc/31/87/13/434318713.db2.gz MKUQCFGCQGZZFO-AGUYFDCRSA-N 0 3 305.422 3.426 10 30 DGEEHN CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358560638 434394852 /nfs/dbraw/zinc/39/48/52/434394852.db2.gz FKNYPKLQLMNYAD-YVLOBAKFSA-N 0 3 322.449 3.428 10 30 DGEEHN C[C@@H](NC[C@H](CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358591217 434399922 /nfs/dbraw/zinc/39/99/22/434399922.db2.gz OCVICLUJEXWHJS-RHSMWYFYSA-N 0 3 312.388 3.199 10 30 DGEEHN C=CC(C)(C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000450788179 434406827 /nfs/dbraw/zinc/40/68/27/434406827.db2.gz CVHYJTCBYCXSCP-LJQANCHMSA-N 0 3 300.446 3.370 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CCc3cc(C)c(C)cc32)CC1 ZINC000287766398 434448396 /nfs/dbraw/zinc/44/83/96/434448396.db2.gz QAXIOWAATYUBFB-UHFFFAOYSA-N 0 3 313.445 3.026 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000287954760 434488605 /nfs/dbraw/zinc/48/86/05/434488605.db2.gz ICXRNPLCESNFNS-NVXWUHKLSA-N 0 3 303.450 3.285 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458207879 434527072 /nfs/dbraw/zinc/52/70/72/434527072.db2.gz IVQSNJVYQMNMQV-OAHLLOKOSA-N 0 3 304.434 3.476 10 30 DGEEHN C#CCOc1ccc(CN2CCC(c3nccc(C)n3)CC2)cc1 ZINC000368285057 434570176 /nfs/dbraw/zinc/57/01/76/434570176.db2.gz SDSPSLVLRPXFLL-UHFFFAOYSA-N 0 3 321.424 3.177 10 30 DGEEHN C=CCN1CC[C@@H](N(C)[C@@H](c2ccccc2C)C(C)C)C1=O ZINC000410394064 434646011 /nfs/dbraw/zinc/64/60/11/434646011.db2.gz TZPPBDMUKKUOPA-QZTJIDSGSA-N 0 3 300.446 3.411 10 30 DGEEHN C=CCN1CC[C@H](N(C)[C@H](Cc2ccc(F)cc2)C(C)C)C1=O ZINC000410382867 434644686 /nfs/dbraw/zinc/64/46/86/434644686.db2.gz BSPUGXHXIOPOMH-ZWKOTPCHSA-N 0 3 318.436 3.112 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000575896293 435053012 /nfs/dbraw/zinc/05/30/12/435053012.db2.gz JFJYOTCEGZIDPE-AEFFLSMTSA-N 0 3 315.461 3.257 10 30 DGEEHN Cc1ccc(C[C@@H](CO)N[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000467415083 435120202 /nfs/dbraw/zinc/12/02/02/435120202.db2.gz CUFMKYYVMBSEHG-PBHICJAKSA-N 0 3 312.388 3.260 10 30 DGEEHN C=C(C)[C@@H](CC(=O)NCCN1CC=C(C(C)(C)C)CC1)OCC ZINC000580655677 435237100 /nfs/dbraw/zinc/23/71/00/435237100.db2.gz FGGYATRVFCYTOO-QGZVFWFLSA-N 0 3 322.493 3.152 10 30 DGEEHN C=CCOc1ccccc1CN(C)C[C@H](O)Cc1ccccc1 ZINC000564718823 435273791 /nfs/dbraw/zinc/27/37/91/435273791.db2.gz PHNRBHZZDLXXCP-LJQANCHMSA-N 0 3 311.425 3.287 10 30 DGEEHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000537186140 435427937 /nfs/dbraw/zinc/42/79/37/435427937.db2.gz IZFHEIHEYQHDHY-SZMVWBNQSA-N 0 3 315.461 3.476 10 30 DGEEHN CN1CCC[C@H](CNC[C@H](C#N)CCC#N)[C@H]1c1cccs1 ZINC000572831303 435874491 /nfs/dbraw/zinc/87/44/91/435874491.db2.gz JTQLDOZUMWLVHH-UXLLHSPISA-N 0 3 316.474 3.164 10 30 DGEEHN C[C@H](NCCOc1ccccc1C#N)c1ccc2c(c1)OCO2 ZINC000182304409 323291804 /nfs/dbraw/zinc/29/18/04/323291804.db2.gz FMCMFOSRMIQCIQ-ZDUSSCGKSA-N 0 3 310.353 3.017 10 30 DGEEHN C=C(C)COCCNCc1ccc(Br)cc1OC ZINC000180959672 337178926 /nfs/dbraw/zinc/17/89/26/337178926.db2.gz HCXORCXLKWGVBW-UHFFFAOYSA-N 0 3 314.223 3.140 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NCC[C@H]2CC=CCC2)CC1 ZINC000527730876 337759427 /nfs/dbraw/zinc/75/94/27/337759427.db2.gz RCTDYWNLAJRHOF-INIZCTEOSA-N 0 3 305.466 3.073 10 30 DGEEHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CCCC(C)(C)C#N ZINC000174879753 340398185 /nfs/dbraw/zinc/39/81/85/340398185.db2.gz IZTAPUDQIXELML-AWEZNQCLSA-N 0 3 309.454 3.305 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000076971113 341216404 /nfs/dbraw/zinc/21/64/04/341216404.db2.gz VSYUMYLJWDWIIJ-KRWDZBQOSA-N 0 3 303.450 3.205 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1NCc1nc2cc(F)ccc2n1CC ZINC000451676950 534574555 /nfs/dbraw/zinc/57/45/55/534574555.db2.gz BFSOLLNSFDYAQZ-CJNGLKHVSA-N 0 3 303.381 3.019 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Br)c(F)c1 ZINC000449521819 534609130 /nfs/dbraw/zinc/60/91/30/534609130.db2.gz SNSYKJMFWHKEHN-OLZOCXBDSA-N 0 3 300.171 3.021 10 30 DGEEHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@H](C)C1 ZINC000352691738 526350134 /nfs/dbraw/zinc/35/01/34/526350134.db2.gz NDXZSUOLZPZXQE-ZBFHGGJFSA-N 0 3 304.390 3.398 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000185143343 526693296 /nfs/dbraw/zinc/69/32/96/526693296.db2.gz KHAJGDVYJSAODM-MRXNPFEDSA-N 0 3 313.445 3.051 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000185094377 526697693 /nfs/dbraw/zinc/69/76/93/526697693.db2.gz JUTKQNGRIVIZQF-MRXNPFEDSA-N 0 3 300.446 3.153 10 30 DGEEHN C=CCOc1ccc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000341051552 526845547 /nfs/dbraw/zinc/84/55/47/526845547.db2.gz FCHPUUTXDAGOHG-HOTGVXAUSA-N 0 3 316.445 3.244 10 30 DGEEHN C=C(CNCc1cc(OC)c2c(c1)OCCO2)c1ccccc1 ZINC000340433393 526881373 /nfs/dbraw/zinc/88/13/73/526881373.db2.gz BNPWXYXHVIXRKU-UHFFFAOYSA-N 0 3 311.381 3.269 10 30 DGEEHN C=CCOc1ccc(CNCC[C@@H](O)C(F)(F)F)cc1Cl ZINC000349300728 526885865 /nfs/dbraw/zinc/88/58/65/526885865.db2.gz SWDGEYDACZSQIU-CYBMUJFWSA-N 0 3 323.742 3.308 10 30 DGEEHN C=CCOc1ccc(CNCC[C@H](O)C(F)(F)F)cc1Cl ZINC000349300729 526886063 /nfs/dbraw/zinc/88/60/63/526886063.db2.gz SWDGEYDACZSQIU-ZDUSSCGKSA-N 0 3 323.742 3.308 10 30 DGEEHN C=CCOc1ccc(CNCCN2CC=C(C)CC2)cc1OC ZINC000358145077 526886236 /nfs/dbraw/zinc/88/62/36/526886236.db2.gz VXMMXWGDEYRMIP-UHFFFAOYSA-N 0 3 316.445 3.002 10 30 DGEEHN C=CCOc1cccc(CN2CCC[C@H]2Cn2ccnc2C)c1 ZINC000180124561 526899932 /nfs/dbraw/zinc/89/99/32/526899932.db2.gz ODJZXLXLSIBHLE-SFHVURJKSA-N 0 3 311.429 3.421 10 30 DGEEHN C=CCOc1ccccc1CN1CCOC[C@H](C2CCC2)C1 ZINC000430154169 526934060 /nfs/dbraw/zinc/93/40/60/526934060.db2.gz WQTGYGGADVRTFO-GOSISDBHSA-N 0 3 301.430 3.500 10 30 DGEEHN C=CCCCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000351639585 527160848 /nfs/dbraw/zinc/16/08/48/527160848.db2.gz QJJWVOCARZNDRY-DLBZAZTESA-N 0 3 301.434 3.087 10 30 DGEEHN CC(C)(C#N)CCCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000174835114 527463346 /nfs/dbraw/zinc/46/33/46/527463346.db2.gz JANUGNCMEGBXDS-UHFFFAOYSA-N 0 3 319.493 3.477 10 30 DGEEHN C=C[C@H](CC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000135654848 527572235 /nfs/dbraw/zinc/57/22/35/527572235.db2.gz AYEBZEPXHQIAJQ-NUJGCVRESA-N 0 3 300.446 3.287 10 30 DGEEHN CC(C)OCCCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000740880944 574944694 /nfs/dbraw/zinc/94/46/94/574944694.db2.gz GYTPZYVPFJFHPH-UHFFFAOYSA-N 0 3 310.825 3.489 10 30 DGEEHN C#CCOc1ccc(CN[C@H](CC)c2c(C)nn(C)c2C)cc1 ZINC000742388298 574995849 /nfs/dbraw/zinc/99/58/49/574995849.db2.gz RGACUWUBCVAQHE-GOSISDBHSA-N 0 3 311.429 3.290 10 30 DGEEHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H](C)SC ZINC000728766878 576199553 /nfs/dbraw/zinc/19/95/53/576199553.db2.gz OFZYDIDWYPBLRL-FZMZJTMJSA-N 0 3 318.442 3.210 10 30 DGEEHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000119301471 618624457 /nfs/dbraw/zinc/62/44/57/618624457.db2.gz QIPRWKAPKFRGTF-HOTGVXAUSA-N 0 3 306.409 3.142 10 30 DGEEHN CCc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)oc1CC ZINC000128724993 625177278 /nfs/dbraw/zinc/17/72/78/625177278.db2.gz FDFCGWDOVDBCEJ-CQSZACIVSA-N 0 3 310.353 3.366 10 30 DGEEHN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000128721836 625177313 /nfs/dbraw/zinc/17/73/13/625177313.db2.gz RWASKBAUYNYFKK-OAHLLOKOSA-N 0 3 310.353 3.420 10 30 DGEEHN CO[C@](C)(CNCC#Cc1ccccc1)COCc1ccccc1 ZINC000702767495 660741467 /nfs/dbraw/zinc/74/14/67/660741467.db2.gz YMEQQKARMSSLIL-OAQYLSRUSA-N 0 3 323.436 3.250 10 30 DGEEHN C#CC[C@H](COC)NCc1ccc(Cl)c(Br)c1 ZINC000716932988 661234120 /nfs/dbraw/zinc/23/41/20/661234120.db2.gz GFQVRVOVCSDREI-LLVKDONJSA-N 0 3 316.626 3.230 10 30 DGEEHN Cc1nc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)c(C)s1 ZINC000178706595 657008323 /nfs/dbraw/zinc/00/83/23/657008323.db2.gz RXJCQLKJIPMXLU-ZDUSSCGKSA-N 0 3 313.382 3.030 10 30 DGEEHN Cc1ccccc1SCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000127884898 658557176 /nfs/dbraw/zinc/55/71/76/658557176.db2.gz GCVBHHSBZMXUJM-HNNXBMFYSA-N 0 3 324.405 3.435 10 30 DGEEHN CN(Cc1cccc(C#N)c1)C[C@H](O)c1ccccc1Cl ZINC000046054164 659070296 /nfs/dbraw/zinc/07/02/96/659070296.db2.gz FSYNBYREBDSZGS-KRWDZBQOSA-N 0 3 300.789 3.377 10 30 DGEEHN CC[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000719960390 662299831 /nfs/dbraw/zinc/29/98/31/662299831.db2.gz VZQZHBBUUCUJFR-ROUUACIJSA-N 0 3 313.445 3.049 10 30 DGEEHN C#CCN(Cc1cc(OC)c(OCC)c(OC)c1)C1CCCC1 ZINC000093819828 662360431 /nfs/dbraw/zinc/36/04/31/662360431.db2.gz CNTUWCMWOZRIHK-UHFFFAOYSA-N 0 3 317.429 3.480 10 30 DGEEHN C=CCOCCN[C@H]1CCOc2ccc(Br)cc21 ZINC000385453976 685173898 /nfs/dbraw/zinc/17/38/98/685173898.db2.gz BDBUKCYEGBOSQF-ZDUSSCGKSA-N 0 3 312.207 3.065 10 30 DGEEHN C=CCCOCCNCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000120834954 1200174816 /nfs/dbraw/zinc/17/48/16/1200174816.db2.gz OWSFQXLIQSDVIW-UHFFFAOYSA-N 0 3 317.408 3.311 10 30 DGEEHN CCc1cnccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000180359387 529671686 /nfs/dbraw/zinc/67/16/86/529671686.db2.gz GTHJRLXZDCKJSQ-CQSZACIVSA-N 0 3 304.353 3.021 10 30 DGEEHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159641262 186132405 /nfs/dbraw/zinc/13/24/05/186132405.db2.gz SHKSQBYAVFPTLQ-HNAYVOBHSA-N 0 3 310.441 3.086 10 30 DGEEHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000187703692 200147235 /nfs/dbraw/zinc/14/72/35/200147235.db2.gz VOLFHEDFIKMSTH-CJNGLKHVSA-N 0 3 300.402 3.283 10 30 DGEEHN CCCN(Cc1cc(C#N)ccc1OC)C[C@H]1CCCCO1 ZINC000120869625 284180500 /nfs/dbraw/zinc/18/05/00/284180500.db2.gz AEUFXWZFFVHUPI-QGZVFWFLSA-N 0 3 302.418 3.348 10 30 DGEEHN C=CCN1CCC(NC(=O)Nc2cc(C)cc(OC)c2C)CC1 ZINC000489779376 245347118 /nfs/dbraw/zinc/34/71/18/245347118.db2.gz YZIFQZTYSOJKID-UHFFFAOYSA-N 0 3 317.433 3.084 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)NCCCN(C)Cc1ccccc1 ZINC000159955710 197376125 /nfs/dbraw/zinc/37/61/25/197376125.db2.gz GRGMSKGHIOFFDA-UHFFFAOYSA-N 0 3 321.424 3.119 10 30 DGEEHN COc1cccc2c1OC[C@@H](N[C@H](C)c1ccc(C#N)s1)C2 ZINC000181680273 432141847 /nfs/dbraw/zinc/14/18/47/432141847.db2.gz CFFSFIKMDCQTAG-YPMHNXCESA-N 0 3 314.410 3.283 10 30 DGEEHN CC(C)N(CCC#N)[C@H](CN)c1ccc(Br)cc1 ZINC000042955394 183321902 /nfs/dbraw/zinc/32/19/02/183321902.db2.gz ZKWIPHWILUWQQV-CQSZACIVSA-N 0 3 310.239 3.073 10 30 DGEEHN N#Cc1ccccc1O[C@H](CN)c1ccccc1Br ZINC000043094522 183336942 /nfs/dbraw/zinc/33/69/42/183336942.db2.gz GHGQKSHEHDXXMH-OAHLLOKOSA-N 0 3 317.186 3.400 10 30 DGEEHN N#Cc1ccc(O[C@H](CN)c2ccccc2Br)cc1 ZINC000043094371 183336973 /nfs/dbraw/zinc/33/69/73/183336973.db2.gz NIZNOAREWJWVIV-OAHLLOKOSA-N 0 3 317.186 3.400 10 30 DGEEHN C[C@@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000183211342 533342598 /nfs/dbraw/zinc/34/25/98/533342598.db2.gz JROXLLBBNAQBLW-DOMZBBRYSA-N 0 3 313.319 3.094 10 30 DGEEHN C=CCOc1ccc(CN[C@H]2COc3ccc(F)cc3C2)cc1 ZINC000581392785 400079496 /nfs/dbraw/zinc/07/94/96/400079496.db2.gz PDALVJPULLBHPL-QGZVFWFLSA-N 0 3 313.372 3.484 10 30 DGEEHN Cc1cc(C#N)nc(N[C@H](CN2CCCCC2)c2ccccc2)n1 ZINC000587983878 400176586 /nfs/dbraw/zinc/17/65/86/400176586.db2.gz CIKGCBSVBALFEO-GOSISDBHSA-N 0 3 321.428 3.296 10 30 DGEEHN C=CCOc1ccccc1CN1CCC[C@H](c2nc(C)no2)C1 ZINC000091832684 400139395 /nfs/dbraw/zinc/13/93/95/400139395.db2.gz PSXOBCTUVMPXKL-INIZCTEOSA-N 0 3 313.401 3.322 10 30 DGEEHN C=CCOc1ccccc1CN1CCC[C@@H](c2nc(C)no2)C1 ZINC000091832683 400139525 /nfs/dbraw/zinc/13/95/25/400139525.db2.gz PSXOBCTUVMPXKL-MRXNPFEDSA-N 0 3 313.401 3.322 10 30 DGEEHN C=C(C)CN1CCC(Nc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616249 400429099 /nfs/dbraw/zinc/42/90/99/400429099.db2.gz BVBAYGBKBJJQMQ-UHFFFAOYSA-N 0 3 304.394 3.059 10 30 DGEEHN C=CCCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131331 400611367 /nfs/dbraw/zinc/61/13/67/400611367.db2.gz YCGVUHALFXCFML-WKILWMFISA-N 0 3 304.390 3.276 10 30 DGEEHN Cn1nccc1[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000619200297 400799505 /nfs/dbraw/zinc/79/95/05/400799505.db2.gz QJJKNDYVKLKRGF-ZBFHGGJFSA-N 0 3 312.392 3.247 10 30 DGEEHN C=CCOc1ccccc1C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000593875520 400917853 /nfs/dbraw/zinc/91/78/53/400917853.db2.gz MWFWLBZTZWAOPR-HZPDHXFCSA-N 0 3 316.445 3.244 10 30 DGEEHN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594424893 401061698 /nfs/dbraw/zinc/06/16/98/401061698.db2.gz DLKMBYOPOCCVTC-CRAIPNDOSA-N 0 3 313.445 3.225 10 30 DGEEHN C=C(C)[C@H](N[C@H](C)[C@@H]1C[C@@H]1C(=O)OC)c1ccc(F)c(F)c1 ZINC000594947566 401202873 /nfs/dbraw/zinc/20/28/73/401202873.db2.gz VISOWKULHNQLHD-LESCFKLSSA-N 0 3 309.356 3.369 10 30 DGEEHN C=CC[C@@H]1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000625701671 401186737 /nfs/dbraw/zinc/18/67/37/401186737.db2.gz RGGNAPGGKJNBBP-GFCCVEGCSA-N 0 3 312.866 3.258 10 30 DGEEHN C=CCN1CCC(Nc2nccc(OCc3ccccc3)n2)CC1 ZINC000089598957 401228998 /nfs/dbraw/zinc/22/89/98/401228998.db2.gz YDQOIJOFVQPLRE-UHFFFAOYSA-N 0 3 324.428 3.118 10 30 DGEEHN C=CC(C)(C)CCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000625896928 401245229 /nfs/dbraw/zinc/24/52/29/401245229.db2.gz HQMMGQSFXVJYRV-UHFFFAOYSA-N 0 3 305.397 3.195 10 30 DGEEHN C=CCC1(NC(=O)Nc2ccc3c(c2)OCCNC3)CCCC1 ZINC000625939250 401261339 /nfs/dbraw/zinc/26/13/39/401261339.db2.gz QJAZCIYTSNVRDD-UHFFFAOYSA-N 0 3 315.417 3.179 10 30 DGEEHN C=C1CC(C)(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000630857518 401342711 /nfs/dbraw/zinc/34/27/11/401342711.db2.gz UFPHXGYBOKOAPN-UHFFFAOYSA-N 0 3 318.486 3.433 10 30 DGEEHN C=CCOc1ccc(CNCC[C@H](O)C(F)F)cc1Cl ZINC000631216363 401428898 /nfs/dbraw/zinc/42/88/98/401428898.db2.gz ISJGWGWMKARNAR-LBPRGKRZSA-N 0 3 305.752 3.011 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000627071692 401439333 /nfs/dbraw/zinc/43/93/33/401439333.db2.gz SXKLJAXHCDAVNQ-QAPCUYQASA-N 0 3 315.461 3.417 10 30 DGEEHN C=CCOc1c(Cl)cc(CN[C@@H](C)[C@H](C)CO)cc1OC ZINC000623427508 401515335 /nfs/dbraw/zinc/51/53/35/401515335.db2.gz BMHIMXDSBIZMBM-NEPJUHHUSA-N 0 3 313.825 3.020 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000623597070 401552698 /nfs/dbraw/zinc/55/26/98/401552698.db2.gz VUTQUODANHDPTL-DLBZAZTESA-N 0 3 315.461 3.115 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CCC[C@H](C/C=C\C)C2)CC1 ZINC000623635098 401559536 /nfs/dbraw/zinc/55/95/36/401559536.db2.gz URWAHHVGBKDNSM-IMMZDGJCSA-N 0 3 305.466 3.025 10 30 DGEEHN C=CCCC(C)(C)CNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000632958654 401642532 /nfs/dbraw/zinc/64/25/32/401642532.db2.gz ZXZUNKJFIOKFGZ-UHFFFAOYSA-N 0 3 317.433 3.283 10 30 DGEEHN C=CCOCCN[C@@H]1CCOc2ccc(Br)cc21 ZINC000385453975 685173399 /nfs/dbraw/zinc/17/33/99/685173399.db2.gz BDBUKCYEGBOSQF-CYBMUJFWSA-N 0 3 312.207 3.065 10 30 DGEEHN CCCn1cc(CNCCSCc2ccccc2C#N)cn1 ZINC000172043562 432193193 /nfs/dbraw/zinc/19/31/93/432193193.db2.gz GCLJKOUWQCXEGX-UHFFFAOYSA-N 0 3 314.458 3.188 10 30 DGEEHN Cc1ccc([C@H](CNc2ccc(C)c(C#N)n2)N2CCCC2)o1 ZINC000302627003 230323867 /nfs/dbraw/zinc/32/38/67/230323867.db2.gz IIALJPYCFCZVCT-INIZCTEOSA-N 0 3 310.401 3.412 10 30 DGEEHN C[C@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358561666 270003940 /nfs/dbraw/zinc/00/39/40/270003940.db2.gz SNAQWSKFMOJSIK-NJSLBKSFSA-N 0 3 312.388 3.340 10 30 DGEEHN C[C@H](NCCOc1ncccc1Cl)c1ccc(C#N)cc1F ZINC000358595801 267183481 /nfs/dbraw/zinc/18/34/81/267183481.db2.gz UZGFSPNQVNKIJS-NSHDSACASA-N 0 3 319.767 3.475 10 30 DGEEHN CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCCC#N)C1CC1 ZINC000190935720 277187096 /nfs/dbraw/zinc/18/70/96/277187096.db2.gz HPMBMEOKFUNLNQ-HNNXBMFYSA-N 0 3 307.438 3.154 10 30 DGEEHN C[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCO1 ZINC000329666624 278252894 /nfs/dbraw/zinc/25/28/94/278252894.db2.gz KZYPUVDDJSVGGQ-ZHGJIWRESA-N 0 3 306.450 3.069 10 30 DGEEHN C=CC12CCN(CC1)[C@@H]([C@H](O)c1ccnc3ccc(OC)cc31)C2 ZINC000000345730 431167505 /nfs/dbraw/zinc/16/75/05/431167505.db2.gz FNBBFRCDCVFRON-RTBURBONSA-N 0 3 324.424 3.317 10 30 DGEEHN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccs1 ZINC000172603361 279458889 /nfs/dbraw/zinc/45/88/89/279458889.db2.gz HCVYNCKUUVLITQ-ZDUSSCGKSA-N 0 3 305.447 3.084 10 30 DGEEHN C=CC[C@H](C)NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000116936140 431538572 /nfs/dbraw/zinc/53/85/72/431538572.db2.gz RJDIGTCKGJTNOR-INIZCTEOSA-N 0 3 315.461 3.436 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000121134549 431746825 /nfs/dbraw/zinc/74/68/25/431746825.db2.gz HKBDAQWHFUTGGA-DGTBMVLOSA-N 0 3 304.478 3.358 10 30 DGEEHN C=CCOc1cccc(CN2CCC(Cn3cccn3)CC2)c1 ZINC000122070065 431810212 /nfs/dbraw/zinc/81/02/12/431810212.db2.gz YRZOYVRMICDCSF-UHFFFAOYSA-N 0 3 311.429 3.360 10 30 DGEEHN C#CCOc1ccc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000122786220 431844096 /nfs/dbraw/zinc/84/40/96/431844096.db2.gz CSEMBJLATBYBPC-LJQANCHMSA-N 0 3 323.440 3.386 10 30 DGEEHN C=CCN(CCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000092505654 431909688 /nfs/dbraw/zinc/90/96/88/431909688.db2.gz AKQAWYFSSDGKRR-UHFFFAOYSA-N 0 3 316.408 3.437 10 30 DGEEHN C[C@@H](C#N)Oc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810783 431912335 /nfs/dbraw/zinc/91/23/35/431912335.db2.gz KZIRXUXGLDSMDR-AWEZNQCLSA-N 0 3 310.401 3.080 10 30 DGEEHN N#Cc1cccc(OCCCN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000127700720 431978338 /nfs/dbraw/zinc/97/83/38/431978338.db2.gz PDPQTQIVYNKLHO-GOSISDBHSA-N 0 3 310.401 3.277 10 30 DGEEHN C=CCC(CC=C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000125652738 431932866 /nfs/dbraw/zinc/93/28/66/431932866.db2.gz JQMCKDWYYHUXSE-GOSISDBHSA-N 0 3 300.446 3.044 10 30 DGEEHN C=CCOc1ccc(CNCCNC(=O)c2ccc(C)cc2)cc1 ZINC000052041930 431954544 /nfs/dbraw/zinc/95/45/44/431954544.db2.gz UBBVBVOETZLTMF-UHFFFAOYSA-N 0 3 324.424 3.079 10 30 DGEEHN OCCCN(CC#Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000192059072 432328649 /nfs/dbraw/zinc/32/86/49/432328649.db2.gz MHFPWCHXPRSPSX-NRFANRHFSA-N 0 3 305.421 3.410 10 30 DGEEHN N#Cc1ccc(OCCNCc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000175999947 432485149 /nfs/dbraw/zinc/48/51/49/432485149.db2.gz HBHQBDANVRQMFO-UHFFFAOYSA-N 0 3 318.380 3.117 10 30 DGEEHN N#Cc1ccc(OCCNCc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000175999947 432485152 /nfs/dbraw/zinc/48/51/52/432485152.db2.gz HBHQBDANVRQMFO-UHFFFAOYSA-N 0 3 318.380 3.117 10 30 DGEEHN CCO[C@@H](CNCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000194470313 432553359 /nfs/dbraw/zinc/55/33/59/432553359.db2.gz RQDVUURNWYPFBL-SFHVURJKSA-N 0 3 320.396 3.073 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000185838114 432538155 /nfs/dbraw/zinc/53/81/55/432538155.db2.gz ANBCEPVDQXVDGK-LZLYRXPVSA-N 0 3 300.446 3.368 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000185919559 432545957 /nfs/dbraw/zinc/54/59/57/432545957.db2.gz KJZYOVIFJVRCGK-HOTGVXAUSA-N 0 3 315.461 3.326 10 30 DGEEHN C[C@H](NCc1ccc(C#N)s1)c1ccc(-n2cncn2)cc1 ZINC000176942417 432567099 /nfs/dbraw/zinc/56/70/99/432567099.db2.gz TUKZEIDNKKXZTR-LBPRGKRZSA-N 0 3 309.398 3.051 10 30 DGEEHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000186318000 432581217 /nfs/dbraw/zinc/58/12/17/432581217.db2.gz ITHVTQDDWGJDKQ-HNNXBMFYSA-N 0 3 317.396 3.298 10 30 DGEEHN C=CC[C@@H](CO)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000186695911 432622444 /nfs/dbraw/zinc/62/24/44/432622444.db2.gz WSAKFGNVNPOSBG-KOLCDFICSA-N 0 3 302.187 3.176 10 30 DGEEHN C=CC[C@H](C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000188225117 432712805 /nfs/dbraw/zinc/71/28/05/432712805.db2.gz UYPRYXQTSFBOIN-JQHSSLGASA-N 0 3 300.446 3.287 10 30 DGEEHN C#CCC(CC#C)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000277414648 432848532 /nfs/dbraw/zinc/84/85/32/432848532.db2.gz LZAJEWFPMDUTHJ-UHFFFAOYSA-N 0 3 308.425 3.274 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000330211655 432897227 /nfs/dbraw/zinc/89/72/27/432897227.db2.gz DDGKPDUSLJKLJF-DZXKGLTKSA-N 0 3 308.466 3.313 10 30 DGEEHN Cc1ccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000330246218 432899734 /nfs/dbraw/zinc/89/97/34/432899734.db2.gz YCGCJZLBJAPAEZ-XZJROXQQSA-N 0 3 306.381 3.268 10 30 DGEEHN C[C@@H](NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000330270451 432901277 /nfs/dbraw/zinc/90/12/77/432901277.db2.gz UFDSZQRUQRCKNG-CZAMWMTLSA-N 0 3 320.408 3.389 10 30 DGEEHN COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1OC(F)F ZINC000185770889 533692453 /nfs/dbraw/zinc/69/24/53/533692453.db2.gz GTBLUGKTYYKDHR-DGCLKSJQSA-N 0 3 310.344 3.469 10 30 DGEEHN N#Cc1cccnc1N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000374759796 433272832 /nfs/dbraw/zinc/27/28/32/433272832.db2.gz KLEWNYZFKJJGSW-MOPGFXCFSA-N 0 3 318.424 3.197 10 30 DGEEHN N#Cc1ccc(N2CCC[C@H](N3CCCC34CCC4)C2=O)cc1 ZINC000447877676 433308947 /nfs/dbraw/zinc/30/89/47/433308947.db2.gz IGSNJSLOLRWKTC-KRWDZBQOSA-N 0 3 309.413 3.072 10 30 DGEEHN C=CCCCN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000448033691 433354928 /nfs/dbraw/zinc/35/49/28/433354928.db2.gz YZOLBQMCDXGKTQ-SJORKVTESA-N 0 3 308.853 3.268 10 30 DGEEHN C=CCCCN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000448033689 433355151 /nfs/dbraw/zinc/35/51/51/433355151.db2.gz YZOLBQMCDXGKTQ-IAGOWNOFSA-N 0 3 308.853 3.268 10 30 DGEEHN C=CCCCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000447998311 433343827 /nfs/dbraw/zinc/34/38/27/433343827.db2.gz FROINCKKIRUCPK-LJQANCHMSA-N 0 3 315.461 3.307 10 30 DGEEHN C=CCC[C@@H](CO)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449700996 433761694 /nfs/dbraw/zinc/76/16/94/433761694.db2.gz VFFBQEWVMXRVSB-INIZCTEOSA-N 0 3 305.418 3.059 10 30 DGEEHN C=CCN1CCC(NC(=O)c2cc(C)cc3c(C)ccnc23)CC1 ZINC000284001123 433814439 /nfs/dbraw/zinc/81/44/39/433814439.db2.gz NQKHAKQPLFWJBS-UHFFFAOYSA-N 0 3 323.440 3.232 10 30 DGEEHN C=C(C)CCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000352423415 434042835 /nfs/dbraw/zinc/04/28/35/434042835.db2.gz XNEZKINDLIANLD-HOCLYGCPSA-N 0 3 310.800 3.307 10 30 DGEEHN C#CCCOc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000378341493 434145796 /nfs/dbraw/zinc/14/57/96/434145796.db2.gz KXWIBQAZUCPJIN-UHFFFAOYSA-N 0 3 309.413 3.191 10 30 DGEEHN Cc1cc(C#N)cc(N2CCN(Cc3ccccc3)C[C@H](C)C2)n1 ZINC000324161457 434271191 /nfs/dbraw/zinc/27/11/91/434271191.db2.gz PPLUWBORZUWABO-INIZCTEOSA-N 0 3 320.440 3.220 10 30 DGEEHN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N[C@H]1CCc3ccccc31)CCC2 ZINC000328659427 434297003 /nfs/dbraw/zinc/29/70/03/434297003.db2.gz SSZWDQPLKRNEDU-RDJZCZTQSA-N 0 3 324.428 3.260 10 30 DGEEHN C[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000328770594 434311130 /nfs/dbraw/zinc/31/11/30/434311130.db2.gz GTJTUQLEXZGKOZ-MCIONIFRSA-N 0 3 318.465 3.188 10 30 DGEEHN C[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358580491 434398789 /nfs/dbraw/zinc/39/87/89/434398789.db2.gz XYFUVJMDMOUBSX-LRDDRELGSA-N 0 3 316.351 3.091 10 30 DGEEHN C[C@@H](NC[C@@H](C)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571700 434399642 /nfs/dbraw/zinc/39/96/42/434399642.db2.gz PITFLNSDIJAIRP-RBSFLKMASA-N 0 3 303.425 3.468 10 30 DGEEHN C[C@H](NC[C@H](C)N1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358594773 434400438 /nfs/dbraw/zinc/40/04/38/434400438.db2.gz UDUVMJORIXSOAO-GJZGRUSLSA-N 0 3 303.425 3.468 10 30 DGEEHN C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000358949500 434408437 /nfs/dbraw/zinc/40/84/37/434408437.db2.gz HGLAVISDFJGZOZ-HOCLYGCPSA-N 0 3 317.481 3.041 10 30 DGEEHN C#Cc1ccc(CN2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000367323068 434546151 /nfs/dbraw/zinc/54/61/51/434546151.db2.gz YUILQZLEJNOCHZ-UHFFFAOYSA-N 0 3 316.408 3.090 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(C)cc1Br ZINC000424175724 434647095 /nfs/dbraw/zinc/64/70/95/434647095.db2.gz QPJPTKIUMOUFHU-ZFWWWQNUSA-N 0 3 310.235 3.438 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418503327 434667086 /nfs/dbraw/zinc/66/70/86/434667086.db2.gz XPMSLCBEARLXBL-SFHVURJKSA-N 0 3 311.429 3.447 10 30 DGEEHN C=CCCCN(C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000523010748 434938939 /nfs/dbraw/zinc/93/89/39/434938939.db2.gz SKSLMVWZJOGQBB-UHFFFAOYSA-N 0 3 314.473 3.366 10 30 DGEEHN C=CCOc1ccccc1CN1CC[C@@](CO)(c2ccccc2)C1 ZINC000463029385 434941147 /nfs/dbraw/zinc/94/11/47/434941147.db2.gz OJBVZJSLIMFKPK-OAQYLSRUSA-N 0 3 323.436 3.387 10 30 DGEEHN C=CCOc1ccc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1OC ZINC000527803087 435014898 /nfs/dbraw/zinc/01/48/98/435014898.db2.gz USVHWRKZYMVVKU-COJSNBRMSA-N 0 3 305.418 3.162 10 30 DGEEHN C=CCC1(NC(=O)CCN(C)c2ccncc2)CCCCC1 ZINC000556676297 435018800 /nfs/dbraw/zinc/01/88/00/435018800.db2.gz IFKGCKMDDVGGSM-UHFFFAOYSA-N 0 3 301.434 3.303 10 30 DGEEHN C=CCOCCN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000559154808 435122826 /nfs/dbraw/zinc/12/28/26/435122826.db2.gz GGMATLSKQCTPKY-XHSDSOJGSA-N 0 3 309.450 3.164 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NC/C=C\c2ccccc2)CC1 ZINC000540888246 435622440 /nfs/dbraw/zinc/62/24/40/435622440.db2.gz AEBMCBMDXSPWPC-TWGQIWQCSA-N 0 3 313.445 3.040 10 30 DGEEHN N#Cc1ccc(OCCNC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000174560207 312763922 /nfs/dbraw/zinc/76/39/22/312763922.db2.gz IZQBUUFGKPVGHB-HWKANZROSA-N 0 3 323.352 3.148 10 30 DGEEHN C=CCOc1ccc(CN2CCCC[C@@H]2CC(N)=O)cc1Cl ZINC000092588325 332134801 /nfs/dbraw/zinc/13/48/01/332134801.db2.gz ZWMXSSGACLXEEU-CQSZACIVSA-N 0 3 322.836 3.135 10 30 DGEEHN N#CC[C@@H]1CC[C@H](NCc2ncc(Br)s2)C1 ZINC000378860705 333057862 /nfs/dbraw/zinc/05/78/62/333057862.db2.gz PKIHLXSGHONZJD-IUCAKERBSA-N 0 3 300.225 3.078 10 30 DGEEHN C=CCCCCCNCc1c(Br)c(C)nn1C ZINC000583153621 337247014 /nfs/dbraw/zinc/24/70/14/337247014.db2.gz PWQJXGDEPLHXNY-UHFFFAOYSA-N 0 3 300.244 3.327 10 30 DGEEHN C=CCCc1ccccc1NC(=O)N1CCCN(CC)CC1 ZINC000505010151 340158592 /nfs/dbraw/zinc/15/85/92/340158592.db2.gz CBIGKMLDGHERGW-UHFFFAOYSA-N 0 3 301.434 3.365 10 30 DGEEHN C=CCCC[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000538364782 340819382 /nfs/dbraw/zinc/81/93/82/340819382.db2.gz JOHSYAOUTCMDSK-SJLPKXTDSA-N 0 3 317.477 3.203 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)CC1 ZINC000566323678 341553980 /nfs/dbraw/zinc/55/39/80/341553980.db2.gz YSHZNZUEWJQNFL-MMIPBJDJSA-N 0 3 319.493 3.151 10 30 DGEEHN N#Cc1ccc2ncc(CNCCc3cc4ccccc4o3)n2c1 ZINC000152574877 518196606 /nfs/dbraw/zinc/19/66/06/518196606.db2.gz KBOWUQNPRHLPQL-UHFFFAOYSA-N 0 3 316.364 3.284 10 30 DGEEHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000318446089 534786099 /nfs/dbraw/zinc/78/60/99/534786099.db2.gz OWZQPKJOGIRRQU-KBAYOESNSA-N 0 3 302.393 3.213 10 30 DGEEHN C=CCN(CCC1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000432927758 526272574 /nfs/dbraw/zinc/27/25/74/526272574.db2.gz NZROHPSVZKTIDY-UHFFFAOYSA-N 0 3 304.390 3.400 10 30 DGEEHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000337178212 526483674 /nfs/dbraw/zinc/48/36/74/526483674.db2.gz KKKYMBPEKIEEQR-DNVCBOLYSA-N 0 3 321.424 3.186 10 30 DGEEHN C=C(C)CN(CC)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433021308 526526324 /nfs/dbraw/zinc/52/63/24/526526324.db2.gz QLPAENNQUMQFOW-GOSISDBHSA-N 0 3 313.445 3.436 10 30 DGEEHN C=C(C)COc1cc(CN(C)C[C@@H]2CCCO2)ccc1OC ZINC000128124890 526659121 /nfs/dbraw/zinc/65/91/21/526659121.db2.gz ISXJWJPWQZPLPC-INIZCTEOSA-N 0 3 305.418 3.261 10 30 DGEEHN C=C(C)[C@@H](N[C@@H](CC)Cn1cncn1)c1ccc(F)c(F)c1 ZINC000340502640 526757862 /nfs/dbraw/zinc/75/78/62/526757862.db2.gz MCHIKOWNXFGVAB-XJKSGUPXSA-N 0 3 306.360 3.242 10 30 DGEEHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nccn1Cc1ccccc1 ZINC000435736571 526801459 /nfs/dbraw/zinc/80/14/59/526801459.db2.gz XZZIQJIAQVZFSA-HKUYNNGSSA-N 0 3 311.429 3.002 10 30 DGEEHN C=CCOc1ccc(CN2CCSC3(CCOCC3)C2)cc1 ZINC000351932679 526870111 /nfs/dbraw/zinc/87/01/11/526870111.db2.gz WMWCFDBZRZLTGV-UHFFFAOYSA-N 0 3 319.470 3.349 10 30 DGEEHN C=CCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@@]23CCCO3)cc1 ZINC000353891991 526889910 /nfs/dbraw/zinc/88/99/10/526889910.db2.gz YZTCSZVECVCURQ-CEXWTWQISA-N 0 3 317.429 3.068 10 30 DGEEHN C=CCOc1ccccc1CNCC[C@H](OC)C(F)(F)F ZINC000344803081 526948790 /nfs/dbraw/zinc/94/87/90/526948790.db2.gz AFDLTKLFQFXVCV-AWEZNQCLSA-N 0 3 303.324 3.308 10 30 DGEEHN C=CC[C@@H](C)NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000116936143 527026524 /nfs/dbraw/zinc/02/65/24/527026524.db2.gz RJDIGTCKGJTNOR-MRXNPFEDSA-N 0 3 315.461 3.436 10 30 DGEEHN C=CCCCN(C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000346960590 527192253 /nfs/dbraw/zinc/19/22/53/527192253.db2.gz KJZONYMAJBGTBY-GOSISDBHSA-N 0 3 300.446 3.420 10 30 DGEEHN C=CCCN(C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000342740799 527318405 /nfs/dbraw/zinc/31/84/05/527318405.db2.gz XRUCJQKDZBYEEA-MRXNPFEDSA-N 0 3 300.446 3.322 10 30 DGEEHN CC(C)c1ccccc1NC(=O)C(C#N)c1ccc([N+](=O)[O-])cn1 ZINC000359917050 528198104 /nfs/dbraw/zinc/19/81/04/528198104.db2.gz LDYCHYGDNMITJV-CQSZACIVSA-N 0 3 324.340 3.359 10 30 DGEEHN C=CCOc1cccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000129353386 545941645 /nfs/dbraw/zinc/94/16/45/545941645.db2.gz ROZKPNQRZGHJGI-IEBWSBKVSA-N 0 3 301.430 3.378 10 30 DGEEHN C=CCc1cc(CN2CCCCC[C@@H]2CCO)cc(OC)c1O ZINC000342825463 546560520 /nfs/dbraw/zinc/56/05/20/546560520.db2.gz SAIWTSHYXMPECH-QGZVFWFLSA-N 0 3 319.445 3.256 10 30 DGEEHN C=CCCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736623474 574761613 /nfs/dbraw/zinc/76/16/13/574761613.db2.gz LDKVCUBGECKOOO-ZDUSSCGKSA-N 0 3 313.426 3.371 10 30 DGEEHN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154409011 620670374 /nfs/dbraw/zinc/67/03/74/620670374.db2.gz VTKOWQJMHAVWMS-HNNXBMFYSA-N 0 3 315.461 3.397 10 30 DGEEHN C[C@H](Cc1ccccc1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000112148876 620794369 /nfs/dbraw/zinc/79/43/69/620794369.db2.gz ATASVHVUONETSM-RHSMWYFYSA-N 0 3 312.413 3.023 10 30 DGEEHN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)O1 ZINC000121550676 630696518 /nfs/dbraw/zinc/69/65/18/630696518.db2.gz LFIPHZHLVFKZGM-VMGRFDJRSA-N 0 3 322.364 3.055 10 30 DGEEHN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)N[C@@H]1CCC[C@H]1C#N ZINC000299984115 656230930 /nfs/dbraw/zinc/23/09/30/656230930.db2.gz GODSWTNKNSVMMI-FXUDXRNXSA-N 0 3 321.465 3.446 10 30 DGEEHN C=CCOc1ccc(CNC[C@H](O)c2c(F)cccc2F)cc1 ZINC000077454878 657359928 /nfs/dbraw/zinc/35/99/28/657359928.db2.gz MPMKMIWIAKKDOT-KRWDZBQOSA-N 0 3 319.351 3.353 10 30 DGEEHN CC(C)Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000156100103 661858315 /nfs/dbraw/zinc/85/83/15/661858315.db2.gz NCWDCPDIHLUXHO-PBHICJAKSA-N 0 3 314.429 3.222 10 30 DGEEHN C=CCOc1ccc(CNC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000077454881 662027241 /nfs/dbraw/zinc/02/72/41/662027241.db2.gz MPMKMIWIAKKDOT-QGZVFWFLSA-N 0 3 319.351 3.353 10 30 DGEEHN C=CC[C@@H](C)NCc1ccccc1I ZINC000379654000 1197703956 /nfs/dbraw/zinc/70/39/56/1197703956.db2.gz IKKQPTCLBJSBML-SNVBAGLBSA-N 0 3 301.171 3.345 10 30 DGEEHN C=CCOCCN[C@H](C)c1cc(Br)ccc1F ZINC000379727266 546735922 /nfs/dbraw/zinc/73/59/22/546735922.db2.gz XLWMKKMXSBZVGC-SNVBAGLBSA-N 0 3 302.187 3.441 10 30 DGEEHN C=C(C)CN1CCC(Nc2cc(C)nc(-c3cccnc3)n2)CC1 ZINC000106066273 432020104 /nfs/dbraw/zinc/02/01/04/432020104.db2.gz WTQCDACWZSUZLL-UHFFFAOYSA-N 0 3 323.444 3.299 10 30 DGEEHN C=C(C)CN1CCC(Nc2cc(C)nc(-c3ccncc3)n2)CC1 ZINC000106066232 432020203 /nfs/dbraw/zinc/02/02/03/432020203.db2.gz RUCMUFCLEBSNIA-UHFFFAOYSA-N 0 3 323.444 3.299 10 30 DGEEHN CC1(C)Cc2c(C#N)c(NC(=O)C3CC3)sc2C(C)(C)N1 ZINC000004281262 181092190 /nfs/dbraw/zinc/09/21/90/181092190.db2.gz MNXPSPZJDWHCDI-UHFFFAOYSA-N 0 3 303.431 3.128 10 30 DGEEHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180882200 432103763 /nfs/dbraw/zinc/10/37/63/432103763.db2.gz AUMOUFDVQMYKIF-PBHICJAKSA-N 0 3 321.428 3.425 10 30 DGEEHN N#CCCOCCN1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451954761 241282922 /nfs/dbraw/zinc/28/29/22/241282922.db2.gz ACMYYTSPCYHDPO-UHFFFAOYSA-N 0 3 308.372 3.150 10 30 DGEEHN C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000458982518 243218781 /nfs/dbraw/zinc/21/87/81/243218781.db2.gz AZNHHFLRCMJBMH-QGZVFWFLSA-N 0 3 315.461 3.115 10 30 DGEEHN CCc1ccc([C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000121494273 284198489 /nfs/dbraw/zinc/19/84/89/284198489.db2.gz FCXPKEKKPJMTHY-BEFAXECRSA-N 0 3 324.424 3.211 10 30 DGEEHN COc1ccc2oc(CNCCOc3ccc(C#N)cc3)cc2c1 ZINC000126024967 284291173 /nfs/dbraw/zinc/29/11/73/284291173.db2.gz QRIHXSHFKHWHIC-UHFFFAOYSA-N 0 3 322.364 3.482 10 30 DGEEHN C=C(C)CN1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265481597 204643841 /nfs/dbraw/zinc/64/38/41/204643841.db2.gz DDNGZEDNTHIYBK-UHFFFAOYSA-N 0 3 310.785 3.096 10 30 DGEEHN COc1cc(OC)cc([C@@H]2CCN(CCCSCC#N)C2)c1 ZINC000177415787 533084449 /nfs/dbraw/zinc/08/44/49/533084449.db2.gz IZNUULWRFCXCGH-CQSZACIVSA-N 0 3 320.458 3.140 10 30 DGEEHN C=CCCCN(C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000154662890 196983771 /nfs/dbraw/zinc/98/37/71/196983771.db2.gz VPJBYPXSOUKTBC-UHFFFAOYSA-N 0 3 319.449 3.365 10 30 DGEEHN C=CCCC[C@H](C)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000091623582 400128565 /nfs/dbraw/zinc/12/85/65/400128565.db2.gz UZFLUZKXDHIGMA-AWEZNQCLSA-N 0 3 312.408 3.141 10 30 DGEEHN C=CC[C@@H]1CCCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000617782112 400453445 /nfs/dbraw/zinc/45/34/45/400453445.db2.gz YUTHVZRKSNRYOF-QGZVFWFLSA-N 0 3 312.457 3.250 10 30 DGEEHN C=CCCC[C@@H](C)NCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602580836 400504045 /nfs/dbraw/zinc/50/40/45/400504045.db2.gz IGHDTCUNYIQNPQ-CYBMUJFWSA-N 0 3 307.438 3.210 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000076733829 400669376 /nfs/dbraw/zinc/66/93/76/400669376.db2.gz MSHJPSRVVZCFSE-OAHLLOKOSA-N 0 3 317.433 3.238 10 30 DGEEHN C#CC[C@H](N)c1cc(Br)ccc1Br ZINC000168686938 400757617 /nfs/dbraw/zinc/75/76/17/400757617.db2.gz QNNKCKPYZDNSMC-JTQLQIEISA-N 0 3 302.997 3.235 10 30 DGEEHN Cc1csc(C(C#N)C(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000179829352 400880671 /nfs/dbraw/zinc/88/06/71/400880671.db2.gz SYKIHNLYONFFTQ-AWEZNQCLSA-N 0 3 307.378 3.497 10 30 DGEEHN C=CC[C@@H]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593620190 400882272 /nfs/dbraw/zinc/88/22/72/400882272.db2.gz FVUPBTPWGQNWTI-NEPJUHHUSA-N 0 3 300.362 3.306 10 30 DGEEHN C=CCCCN(C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000605738748 400884681 /nfs/dbraw/zinc/88/46/81/400884681.db2.gz DTAOHSIDQITILB-LJQANCHMSA-N 0 3 300.446 3.460 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000605875933 400886724 /nfs/dbraw/zinc/88/67/24/400886724.db2.gz DJNZECSKBLDOHY-FUHWJXTLSA-N 0 3 315.461 3.430 10 30 DGEEHN C=CC[C@@H](CO)NCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000184273081 400903241 /nfs/dbraw/zinc/90/32/41/400903241.db2.gz BCVZLBRFBOBENI-ZDUSSCGKSA-N 0 3 314.212 3.296 10 30 DGEEHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCN1CCc2ccccc2C1 ZINC000620305823 401051776 /nfs/dbraw/zinc/05/17/76/401051776.db2.gz SANCKJGWIJGFEG-KDURUIRLSA-N 0 3 310.441 3.144 10 30 DGEEHN C=CC[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000625702366 401185682 /nfs/dbraw/zinc/18/56/82/401185682.db2.gz XWQXLXREKBFXPM-GFCCVEGCSA-N 0 3 300.324 3.421 10 30 DGEEHN C=CCCC(C)(C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625939039 401261353 /nfs/dbraw/zinc/26/13/53/401261353.db2.gz IRYVMXNIOVHNPA-UHFFFAOYSA-N 0 3 303.406 3.035 10 30 DGEEHN C=CC[C@@H](CO)CNCc1cccc(F)c1OCC(F)(F)F ZINC000623483802 401528949 /nfs/dbraw/zinc/52/89/49/401528949.db2.gz SLWDJNQWHCECIW-LLVKDONJSA-N 0 3 321.314 3.041 10 30 DGEEHN C=CC(C)(C)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000623814153 401582746 /nfs/dbraw/zinc/58/27/46/401582746.db2.gz BMHQRPKAWYFTHV-SJORKVTESA-N 0 3 315.461 3.333 10 30 DGEEHN C=CCOc1cccc(CNC[C@@H]2Cc3ccccc3CO2)c1 ZINC000623601414 401554266 /nfs/dbraw/zinc/55/42/66/401554266.db2.gz CJVYURVSELTWIC-FQEVSTJZSA-N 0 3 309.409 3.483 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)C1 ZINC000624142258 401631970 /nfs/dbraw/zinc/63/19/70/401631970.db2.gz QDWHFUYZGDVVQY-IRXDYDNUSA-N 0 3 307.482 3.105 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CC(C)(C)[C@@H]2c2ccco2)CC1 ZINC000633039335 401646593 /nfs/dbraw/zinc/64/65/93/401646593.db2.gz CPLHGWZIHGHGCH-INIZCTEOSA-N 0 3 317.433 3.023 10 30 DGEEHN Cn1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000191216654 165237505 /nfs/dbraw/zinc/23/75/05/165237505.db2.gz YTSBONKRYGZHCW-HNNXBMFYSA-N 0 3 320.396 3.418 10 30 DGEEHN Cn1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000191216675 165238341 /nfs/dbraw/zinc/23/83/41/165238341.db2.gz YTSBONKRYGZHCW-OAHLLOKOSA-N 0 3 320.396 3.418 10 30 DGEEHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccc2ccccc2c1 ZINC000181510719 228362852 /nfs/dbraw/zinc/36/28/52/228362852.db2.gz ZBPXZEDERXDAGW-HNNXBMFYSA-N 0 3 309.413 3.253 10 30 DGEEHN CC[C@H](C)N[C@@H](CNC(=O)c1sccc1C#N)c1ccco1 ZINC000359548141 270004220 /nfs/dbraw/zinc/00/42/20/270004220.db2.gz UBUIMAZURXZNTN-AAEUAGOBSA-N 0 3 317.414 3.072 10 30 DGEEHN C=CCCCCCNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000516782503 424820950 /nfs/dbraw/zinc/82/09/50/424820950.db2.gz SPYPFUZUUVAPPV-UHFFFAOYSA-N 0 3 319.453 3.018 10 30 DGEEHN C[C@H](CN1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358555416 267155646 /nfs/dbraw/zinc/15/56/46/267155646.db2.gz KYGNYSGTEYSUEM-KFWWJZLASA-N 0 3 303.425 3.468 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000076734384 431562038 /nfs/dbraw/zinc/56/20/38/431562038.db2.gz PEJNRLVPFZJLMH-CQSZACIVSA-N 0 3 318.417 3.007 10 30 DGEEHN C=CCCCN(C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000076734481 431562335 /nfs/dbraw/zinc/56/23/35/431562335.db2.gz XEZJIZIFNUCOJR-HNNXBMFYSA-N 0 3 306.475 3.482 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121110350 431743653 /nfs/dbraw/zinc/74/36/53/431743653.db2.gz CTXKQACFZLZGDV-CYBMUJFWSA-N 0 3 305.378 3.128 10 30 DGEEHN C[C@@H](N[C@H](C)c1ccc2ccccc2c1)C(=O)N(C)CCC#N ZINC000122331015 431827117 /nfs/dbraw/zinc/82/71/17/431827117.db2.gz FMQFOXCQCJNJTE-HUUCEWRRSA-N 0 3 309.413 3.251 10 30 DGEEHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000248969301 432331015 /nfs/dbraw/zinc/33/10/15/432331015.db2.gz SIEVJKZASFFMHE-RDJZCZTQSA-N 0 3 306.413 3.448 10 30 DGEEHN OC[C@H](C1CC1)N(CC#Cc1ccccc1)Cc1ccccc1 ZINC000192129650 432335781 /nfs/dbraw/zinc/33/57/81/432335781.db2.gz ZQGIPTDMNJYUAY-OAQYLSRUSA-N 0 3 305.421 3.311 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248712527 432313487 /nfs/dbraw/zinc/31/34/87/432313487.db2.gz BKYTWFNTZPIRDG-FUHWJXTLSA-N 0 3 315.461 3.115 10 30 DGEEHN CCO[C@@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)C12CCCC2 ZINC000174654241 432361602 /nfs/dbraw/zinc/36/16/02/432361602.db2.gz IQRXXKODFZDRNP-IAGOWNOFSA-N 0 3 324.428 3.033 10 30 DGEEHN CCN(CCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000153697825 432433566 /nfs/dbraw/zinc/43/35/66/432433566.db2.gz PUZYTEJRMVKSSO-UHFFFAOYSA-N 0 3 304.397 3.271 10 30 DGEEHN CCC(C)(C)[C@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000156734291 432606446 /nfs/dbraw/zinc/60/64/46/432606446.db2.gz KIDYFCKNSVMACX-OAHLLOKOSA-N 0 3 305.466 3.230 10 30 DGEEHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(Cl)cc2)CC1 ZINC000264337451 432637293 /nfs/dbraw/zinc/63/72/93/432637293.db2.gz HLOWEPFMZHBRAZ-UHFFFAOYSA-N 0 3 321.852 3.132 10 30 DGEEHN C[C@H](CCNCc1cc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000177697046 432652514 /nfs/dbraw/zinc/65/25/14/432652514.db2.gz IJGNKEDRKMQMNG-LLVKDONJSA-N 0 3 309.435 3.013 10 30 DGEEHN CCN(CCCOc1cccc(C#N)c1)CCc1nccs1 ZINC000159361110 432680552 /nfs/dbraw/zinc/68/05/52/432680552.db2.gz FSEIIJXABBHYMR-UHFFFAOYSA-N 0 3 315.442 3.348 10 30 DGEEHN C=CCCCN(C)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189360309 432780712 /nfs/dbraw/zinc/78/07/12/432780712.db2.gz LJUIIWSURKIANU-KRWDZBQOSA-N 0 3 322.399 3.354 10 30 DGEEHN COc1cc(C)c(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000447244079 433173943 /nfs/dbraw/zinc/17/39/43/433173943.db2.gz KEXHLVVVVZQRRU-LBPRGKRZSA-N 0 3 316.382 3.267 10 30 DGEEHN COc1cc(CN[C@H](C)COCc2ccccc2)ccc1C#N ZINC000281750124 433369454 /nfs/dbraw/zinc/36/94/54/433369454.db2.gz QXQIIMWBZGUDLN-OAHLLOKOSA-N 0 3 310.397 3.262 10 30 DGEEHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000328914864 290003266 /nfs/dbraw/zinc/00/32/66/290003266.db2.gz QMPGKBUXIVDGDI-AIOUOQGWSA-N 0 3 321.465 3.397 10 30 DGEEHN CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000285164935 433920092 /nfs/dbraw/zinc/92/00/92/433920092.db2.gz PUSPWTHTLICPAV-HKUYNNGSSA-N 0 3 313.445 3.097 10 30 DGEEHN CC(C)(C)[C@H]1OCC[C@@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000328623778 434293823 /nfs/dbraw/zinc/29/38/23/434293823.db2.gz JNNDWDDTFYGZKQ-PMPSAXMXSA-N 0 3 315.417 3.175 10 30 DGEEHN CCCc1nc(C)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)o1 ZINC000328861723 434322601 /nfs/dbraw/zinc/32/26/01/434322601.db2.gz ZIQWGHKTDLNJCY-AGUYFDCRSA-N 0 3 305.422 3.255 10 30 DGEEHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H](O)Cc1ccccc1 ZINC000358561664 434395639 /nfs/dbraw/zinc/39/56/39/434395639.db2.gz SNAQWSKFMOJSIK-KSMMKXTCSA-N 0 3 312.388 3.340 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287954763 434488629 /nfs/dbraw/zinc/48/86/29/434488629.db2.gz ICXRNPLCESNFNS-RDJZCZTQSA-N 0 3 303.450 3.285 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000458207878 434526247 /nfs/dbraw/zinc/52/62/47/434526247.db2.gz IVQSNJVYQMNMQV-HNNXBMFYSA-N 0 3 304.434 3.476 10 30 DGEEHN COc1cc(C#N)ccc1CN[C@H](C)CCCc1cccnc1 ZINC000459642620 434644187 /nfs/dbraw/zinc/64/41/87/434644187.db2.gz SWOJUQPCEOPVHT-OAHLLOKOSA-N 0 3 309.413 3.463 10 30 DGEEHN C=CCN1CC[C@@H](N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)C1=O ZINC000410382864 434644883 /nfs/dbraw/zinc/64/48/83/434644883.db2.gz BSPUGXHXIOPOMH-MSOLQXFVSA-N 0 3 318.436 3.112 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000424292796 434681041 /nfs/dbraw/zinc/68/10/41/434681041.db2.gz HJMLVRKOYSGBMK-ZVZYQTTQSA-N 0 3 311.429 3.329 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC[C@@H](F)C1)C(C)C ZINC000424654079 434769525 /nfs/dbraw/zinc/76/95/25/434769525.db2.gz HRJNBFOEAPHWDG-GVDBMIGSSA-N 0 3 310.457 3.330 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CCCC12CCC2)C(C)C ZINC000444848484 434791219 /nfs/dbraw/zinc/79/12/19/434791219.db2.gz MUXFVVDNLPIINF-QGZVFWFLSA-N 0 3 319.493 3.413 10 30 DGEEHN C=CCC1(C(=O)Nc2ccc(CN(C)C)c(C)c2)CCOCC1 ZINC000424883317 434824922 /nfs/dbraw/zinc/82/49/22/434824922.db2.gz AUHHSPRERYGDEC-UHFFFAOYSA-N 0 3 316.445 3.368 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000463029110 434941343 /nfs/dbraw/zinc/94/13/43/434941343.db2.gz NGXFROVDPDQFIY-NRFANRHFSA-N 0 3 323.436 3.387 10 30 DGEEHN C=C(C)COc1cc(CN[C@]23C[C@H]2COC3(C)C)ccc1OC ZINC000527767738 435015194 /nfs/dbraw/zinc/01/51/94/435015194.db2.gz YHPLAULMAISCSK-HNAYVOBHSA-N 0 3 317.429 3.307 10 30 DGEEHN C=CCOc1ccccc1CNC[C@H]1c2ccccc2C(=O)N1C ZINC000527804579 435016193 /nfs/dbraw/zinc/01/61/93/435016193.db2.gz FUEQGWPDFRJCDK-SFHVURJKSA-N 0 3 322.408 3.168 10 30 DGEEHN C=CC1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000528148390 435021186 /nfs/dbraw/zinc/02/11/86/435021186.db2.gz HNEWFHACICSXNJ-QGZVFWFLSA-N 0 3 305.466 3.001 10 30 DGEEHN C=CCOc1ccc(CNCCOc2ccc(C#N)cc2)cc1 ZINC000525195120 435005864 /nfs/dbraw/zinc/00/58/64/435005864.db2.gz REWQMGGYIQBDPH-UHFFFAOYSA-N 0 3 308.381 3.292 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1OC)C(C)C ZINC000576016241 435054001 /nfs/dbraw/zinc/05/40/01/435054001.db2.gz OGGWCSAPDRRIEL-KURKYZTESA-N 0 3 322.493 3.006 10 30 DGEEHN C=CCCN(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000467011686 435105761 /nfs/dbraw/zinc/10/57/61/435105761.db2.gz BEPRZOZLHRDGLU-SFHVURJKSA-N 0 3 315.461 3.259 10 30 DGEEHN CC(C)(C)OC(=O)C[C@@H]1CCCN(CCCSCC#N)C1 ZINC000532124864 435142697 /nfs/dbraw/zinc/14/26/97/435142697.db2.gz LHPLPRUNAKMBHK-AWEZNQCLSA-N 0 3 312.479 3.077 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000565854520 435283682 /nfs/dbraw/zinc/28/36/82/435283682.db2.gz OERKVLOFBATTBQ-XYJFISCASA-N 0 3 300.446 3.368 10 30 DGEEHN C=CCn1c(SC[C@@H](C)N(C)C)nnc1-c1ccc(C)cc1 ZINC000479111770 435319654 /nfs/dbraw/zinc/31/96/54/435319654.db2.gz YSBUALYHFIKVJE-CQSZACIVSA-N 0 3 316.474 3.482 10 30 DGEEHN C[C@H](NCCc1nn(C)c2ccccc12)c1ccc(C#N)cc1F ZINC000480669516 435391759 /nfs/dbraw/zinc/39/17/59/435391759.db2.gz BRUDTGIVUOBBMH-ZDUSSCGKSA-N 0 3 322.387 3.477 10 30 DGEEHN CC#CCN[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000484529471 435545930 /nfs/dbraw/zinc/54/59/30/435545930.db2.gz DQEWDKIOBOTVHU-KRWDZBQOSA-N 0 3 306.400 3.493 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000519301572 435677647 /nfs/dbraw/zinc/67/76/47/435677647.db2.gz LOFREVMODZPNFK-DLBZAZTESA-N 0 3 307.482 3.151 10 30 DGEEHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)C12CCCC2 ZINC000574681677 315990331 /nfs/dbraw/zinc/99/03/31/315990331.db2.gz XKTWBDKDAWBMTM-QZTJIDSGSA-N 0 3 314.429 3.394 10 30 DGEEHN C=CC[C@@H](C(=O)N[C@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000188385157 333365058 /nfs/dbraw/zinc/36/50/58/333365058.db2.gz YUGOFNLTZQWCTG-QZTJIDSGSA-N 0 3 302.462 3.439 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542323638 341005208 /nfs/dbraw/zinc/00/52/08/341005208.db2.gz WDVZMYQQSNZPLV-IEBWSBKVSA-N 0 3 312.457 3.373 10 30 DGEEHN C=CCOc1cccc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000544609295 341088618 /nfs/dbraw/zinc/08/86/18/341088618.db2.gz KKSDGVWKULAIAH-MSOLQXFVSA-N 0 3 303.446 3.480 10 30 DGEEHN C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000183211323 533814868 /nfs/dbraw/zinc/81/48/68/533814868.db2.gz JROXLLBBNAQBLW-WFASDCNBSA-N 0 3 313.319 3.094 10 30 DGEEHN C=C(CC)CNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000455516945 534408268 /nfs/dbraw/zinc/40/82/68/534408268.db2.gz DELGSHYXKGQBQY-HOCLYGCPSA-N 0 3 321.490 3.396 10 30 DGEEHN C=C(CC)CNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000455516946 534409206 /nfs/dbraw/zinc/40/92/06/534409206.db2.gz DELGSHYXKGQBQY-ZBFHGGJFSA-N 0 3 321.490 3.396 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(CC)cccc1CC ZINC000451675949 534571763 /nfs/dbraw/zinc/57/17/63/534571763.db2.gz DEBIWQDKCLYHKB-SJORKVTESA-N 0 3 316.445 3.073 10 30 DGEEHN C=CCN(CCCn1ccnc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000342860521 526275340 /nfs/dbraw/zinc/27/53/40/526275340.db2.gz OZVUZDYPJJOURD-UHFFFAOYSA-N 0 3 314.389 3.178 10 30 DGEEHN C=CCOc1ccc(CN2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000354035764 526866058 /nfs/dbraw/zinc/86/60/58/526866058.db2.gz DLRZTFLKUNVJBA-IBGZPJMESA-N 0 3 317.429 3.021 10 30 DGEEHN C=C(CNC(=O)NCCN1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000352996587 526870291 /nfs/dbraw/zinc/87/02/91/526870291.db2.gz HZDPQPZLFKRMMD-IAGOWNOFSA-N 0 3 315.461 3.262 10 30 DGEEHN C=CCOc1ccccc1CN1CCC[C@@](CO)(C(C)C)C1 ZINC000354559464 526931140 /nfs/dbraw/zinc/93/11/40/526931140.db2.gz FKXYKRSNWLHBPH-LJQANCHMSA-N 0 3 303.446 3.482 10 30 DGEEHN C=CCOc1ccccc1CN[C@H](CO)Cc1ccc(F)cc1 ZINC000359809125 526951679 /nfs/dbraw/zinc/95/16/79/526951679.db2.gz YRPUEHGKDXOIQS-SFHVURJKSA-N 0 3 315.388 3.084 10 30 DGEEHN C=CCC1(C(=O)Nc2ccc(CN(C)C)cc2)CCOCC1 ZINC000424568967 527061110 /nfs/dbraw/zinc/06/11/10/527061110.db2.gz QXYBXRROKUWMCE-UHFFFAOYSA-N 0 3 302.418 3.060 10 30 DGEEHN C=CC[C@@H](CO)NCc1ccc(Br)cc1Cl ZINC000184284760 527100559 /nfs/dbraw/zinc/10/05/59/527100559.db2.gz LMYNPOSPDSGXJF-NSHDSACASA-N 0 3 304.615 3.129 10 30 DGEEHN C=CC[C@H](C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000342098170 527130448 /nfs/dbraw/zinc/13/04/48/527130448.db2.gz DUOARFFNFVQVLF-FUHWJXTLSA-N 0 3 315.461 3.305 10 30 DGEEHN CC(C)(C#N)CCCN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000159059313 527464477 /nfs/dbraw/zinc/46/44/77/527464477.db2.gz RHBIDNBCNPQWLZ-AWEZNQCLSA-N 0 3 301.438 3.122 10 30 DGEEHN C=CCOc1cccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000245770321 546299634 /nfs/dbraw/zinc/29/96/34/546299634.db2.gz ROZKPNQRZGHJGI-HKUYNNGSSA-N 0 3 301.430 3.378 10 30 DGEEHN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594426744 547032235 /nfs/dbraw/zinc/03/22/35/547032235.db2.gz RWNUJTHFNLDRLE-RDJZCZTQSA-N 0 3 301.434 3.225 10 30 DGEEHN C#CCOc1ccccc1CNCCN1[C@H](C)CCC[C@H]1C ZINC000730818365 574536815 /nfs/dbraw/zinc/53/68/15/574536815.db2.gz QBPRHUYIDFYCFB-IAGOWNOFSA-N 0 3 300.446 3.051 10 30 DGEEHN C#Cc1cccc(NC(=S)N(C)[C@H]2CCN(CC)C[C@H]2C)c1 ZINC000741493102 574557734 /nfs/dbraw/zinc/55/77/34/574557734.db2.gz ROMUXSIQEMGIOC-PBHICJAKSA-N 0 3 315.486 3.027 10 30 DGEEHN CC#CCN1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000741779152 574970027 /nfs/dbraw/zinc/97/00/27/574970027.db2.gz QOBJQAIMLDTONM-CVEARBPZSA-N 0 3 306.450 3.121 10 30 DGEEHN COc1ccc(CN[C@@H]2C[C@@H](OCC(C)C)C2(C)C)cc1C#N ZINC000742372143 574993706 /nfs/dbraw/zinc/99/37/06/574993706.db2.gz SMMHCFRFWQLLBJ-QZTJIDSGSA-N 0 3 316.445 3.496 10 30 DGEEHN CCCCCCCCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000173527991 659391334 /nfs/dbraw/zinc/39/13/34/659391334.db2.gz XVOIKFWRCWYFTP-KRWDZBQOSA-N 0 3 307.482 3.393 10 30 DGEEHN C=CCOc1ccccc1CN[C@H](C)CNC(=O)OC(C)(C)C ZINC000227683929 685118462 /nfs/dbraw/zinc/11/84/62/685118462.db2.gz AEOVFIDOUGHASM-CQSZACIVSA-N 0 3 320.433 3.254 10 30 DGEEHN CC[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1cccs1 ZINC000184043277 529585636 /nfs/dbraw/zinc/58/56/36/529585636.db2.gz ZMGCHBOOBQUTHF-AWEZNQCLSA-N 0 3 319.474 3.474 10 30 DGEEHN CC[C@H](C)N(Cc1cc(C#CCO)cs1)Cc1ccncc1 ZINC000063846058 432007352 /nfs/dbraw/zinc/00/73/52/432007352.db2.gz NMAUXXVLATTWHD-HNNXBMFYSA-N 0 3 314.454 3.288 10 30 DGEEHN COc1ccc(CN(C)CCc2ccccc2OC)cc1C#N ZINC000135045173 432097271 /nfs/dbraw/zinc/09/72/71/432097271.db2.gz WEKXQHQIHYHJQC-UHFFFAOYSA-N 0 3 310.397 3.250 10 30 DGEEHN C=CCOc1ccccc1CNC[C@H](O)Cc1cccc(F)c1 ZINC000449365663 240158013 /nfs/dbraw/zinc/15/80/13/240158013.db2.gz UQOQGZWHHFSEKP-GOSISDBHSA-N 0 3 315.388 3.084 10 30 DGEEHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246277196 432115630 /nfs/dbraw/zinc/11/56/30/432115630.db2.gz BVEWEJTYOCITCL-RDJZCZTQSA-N 0 3 306.413 3.448 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)CC1 ZINC000473817730 244349490 /nfs/dbraw/zinc/34/94/90/244349490.db2.gz AVAGMTAIJOHBMK-OWCLPIDISA-N 0 3 307.482 3.103 10 30 DGEEHN CCS[C@H]1CCCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093361764 193238455 /nfs/dbraw/zinc/23/84/55/193238455.db2.gz GJIAIMRSHMEYDV-INIZCTEOSA-N 0 3 314.458 3.314 10 30 DGEEHN C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1ccc(C#N)o1 ZINC000093611350 193274179 /nfs/dbraw/zinc/27/41/79/193274179.db2.gz VXRGLIFHDBTPHU-MRXNPFEDSA-N 0 3 309.413 3.248 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccc(C)s1)C(C)C ZINC000496015879 246342118 /nfs/dbraw/zinc/34/21/18/246342118.db2.gz XEWVCSFEIHFFIT-KRWDZBQOSA-N 0 3 320.502 3.414 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccc(C)s1)C(C)C ZINC000496015880 246342240 /nfs/dbraw/zinc/34/22/40/246342240.db2.gz XEWVCSFEIHFFIT-QGZVFWFLSA-N 0 3 320.502 3.414 10 30 DGEEHN CCOCCN1CCN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1CC ZINC000246476703 432136310 /nfs/dbraw/zinc/13/63/10/432136310.db2.gz XZWKDHJEEQEWRX-APWZRJJASA-N 0 3 315.461 3.052 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000171553079 432144024 /nfs/dbraw/zinc/14/40/24/432144024.db2.gz BLQSPUCRRANBDT-ZDUSSCGKSA-N 0 3 307.463 3.149 10 30 DGEEHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)Cn2cncn2)cc1 ZINC000268862832 207031595 /nfs/dbraw/zinc/03/15/95/207031595.db2.gz CCYLPQQOZSLFJB-UONOGXRCSA-N 0 3 320.824 3.149 10 30 DGEEHN C=C[C@H](C)Oc1ccc(Br)cc1CNCCOC ZINC000062730167 184251225 /nfs/dbraw/zinc/25/12/25/184251225.db2.gz LQPIDOOIVPPGSD-NSHDSACASA-N 0 3 314.223 3.138 10 30 DGEEHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1Cl ZINC000424074278 533262669 /nfs/dbraw/zinc/26/26/69/533262669.db2.gz GWHJQPHZCTZTSK-NOZJJQNGSA-N 0 3 314.216 3.192 10 30 DGEEHN COc1ccc(C)cc1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000330251645 533391498 /nfs/dbraw/zinc/39/14/98/533391498.db2.gz HUZDEOUXYNMGSG-RVSPLBMKSA-N 0 3 318.417 3.137 10 30 DGEEHN CC(C)C(C#N)C(=O)c1sccc1I ZINC000306207643 400124382 /nfs/dbraw/zinc/12/43/82/400124382.db2.gz QYWNLLGBUDIBFN-SSDOTTSWSA-N 0 3 319.167 3.331 10 30 DGEEHN C=CCCC[C@H](C)N1CCCN(c2nc(CC)ns2)CC1 ZINC000091512822 400125131 /nfs/dbraw/zinc/12/51/31/400125131.db2.gz SXNLWJKCMAKRLF-AWEZNQCLSA-N 0 3 308.495 3.357 10 30 DGEEHN C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCN(CC)C2)c1 ZINC000067320898 400161968 /nfs/dbraw/zinc/16/19/68/400161968.db2.gz DGFYCKRAGXCQBH-MRXNPFEDSA-N 0 3 317.433 3.247 10 30 DGEEHN N#Cc1c(F)cccc1Nc1cnn(CCN2CCCCC2)c1 ZINC000092978341 400218680 /nfs/dbraw/zinc/21/86/80/400218680.db2.gz KSUGYSLRVFIXBA-UHFFFAOYSA-N 0 3 313.380 3.123 10 30 DGEEHN Cn1ccnc1C[C@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000610488884 400263720 /nfs/dbraw/zinc/26/37/20/400263720.db2.gz QULUWHLTXLKPEC-KRWDZBQOSA-N 0 3 322.437 3.427 10 30 DGEEHN CC[C@H](C#N)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601728979 400341367 /nfs/dbraw/zinc/34/13/67/400341367.db2.gz RXCQCUQZUUUXEB-QZTJIDSGSA-N 0 3 313.445 3.097 10 30 DGEEHN C=CCCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000601744443 400343538 /nfs/dbraw/zinc/34/35/38/400343538.db2.gz KNRSYIJLNYYXLU-KRWDZBQOSA-N 0 3 309.413 3.349 10 30 DGEEHN CC(C)c1ccc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000070786498 400357069 /nfs/dbraw/zinc/35/70/69/400357069.db2.gz DCTNHDFWKSPJJZ-LSDHHAIUSA-N 0 3 301.434 3.221 10 30 DGEEHN C=CCOCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611543938 400418964 /nfs/dbraw/zinc/41/89/64/400418964.db2.gz SJXRYUHTXZWPRV-UHFFFAOYSA-N 0 3 302.330 3.147 10 30 DGEEHN C[C@@H](NC1CCN(CC(F)F)CC1)c1ccc(C#N)cc1F ZINC000611587980 400428152 /nfs/dbraw/zinc/42/81/52/400428152.db2.gz NPSWPLXPUFYJEC-LLVKDONJSA-N 0 3 311.351 3.077 10 30 DGEEHN CC(C)c1ccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000042979343 400448755 /nfs/dbraw/zinc/44/87/55/400448755.db2.gz AGVHZVAWUUMLLL-LIRRHRJNSA-N 0 3 313.445 3.269 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617975801 400495703 /nfs/dbraw/zinc/49/57/03/400495703.db2.gz DYNMVYIQHUGRQY-INIZCTEOSA-N 0 3 315.461 3.012 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000605949297 400888959 /nfs/dbraw/zinc/88/89/59/400888959.db2.gz ULFAPXMASDWBFQ-SFHVURJKSA-N 0 3 317.477 3.459 10 30 DGEEHN C=CCCCN(C)CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000605737487 400884529 /nfs/dbraw/zinc/88/45/29/400884529.db2.gz FPBZJZYIKAORBB-LJQANCHMSA-N 0 3 318.461 3.407 10 30 DGEEHN CCN(CCC#N)C(=O)CN[C@H]1c2ccccc2CCC1(C)C ZINC000183224675 400899901 /nfs/dbraw/zinc/89/99/01/400899901.db2.gz PJMPSVPKSGGAMB-SFHVURJKSA-N 0 3 313.445 3.052 10 30 DGEEHN CO[C@H]1CN(Cc2cccc(OCCCC#N)c2)CC[C@H]1C ZINC000188320065 400907836 /nfs/dbraw/zinc/90/78/36/400907836.db2.gz FKVVQQZIZVADNC-QAPCUYQASA-N 0 3 302.418 3.226 10 30 DGEEHN N#CCCC[C@H](N)C(=O)Nc1ccccc1OCc1ccccc1 ZINC000593919527 400920668 /nfs/dbraw/zinc/92/06/68/400920668.db2.gz TZTYQCGXLHLSIF-INIZCTEOSA-N 0 3 323.396 3.225 10 30 DGEEHN C=CCCC(C)(C)NC(=O)CCN1CCc2ccccc2C1 ZINC000620857809 400998556 /nfs/dbraw/zinc/99/85/56/400998556.db2.gz KDBDQIVWHGOHFF-UHFFFAOYSA-N 0 3 300.446 3.296 10 30 DGEEHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1Br ZINC000594427619 401064937 /nfs/dbraw/zinc/06/49/37/401064937.db2.gz VIOKETLQRFKARY-ZDUSSCGKSA-N 0 3 324.222 3.107 10 30 DGEEHN C=CCC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000248243266 401068579 /nfs/dbraw/zinc/06/85/79/401068579.db2.gz FUVAGZZUMKRDJG-ZWKOTPCHSA-N 0 3 307.409 3.134 10 30 DGEEHN N#CCCCC[C@@H](N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000594601641 401127144 /nfs/dbraw/zinc/12/71/44/401127144.db2.gz YLLMYBLGEIKITM-GFCCVEGCSA-N 0 3 300.189 3.343 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000594968970 401212665 /nfs/dbraw/zinc/21/26/65/401212665.db2.gz YCCCHSPBUAOZLR-XFQAVAEZSA-N 0 3 307.459 3.031 10 30 DGEEHN C=CC[C@H]1CCN(Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000625701590 401185712 /nfs/dbraw/zinc/18/57/12/401185712.db2.gz KTCXPYQTMWCDMS-ZDUSSCGKSA-N 0 3 302.809 3.319 10 30 DGEEHN C=CC[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000625701379 401186811 /nfs/dbraw/zinc/18/68/11/401186811.db2.gz QPHZOSXOBMEVCB-ZIAGYGMSSA-N 0 3 322.399 3.382 10 30 DGEEHN C=CC[C@H](CO)NCc1cccc(Br)c1Cl ZINC000631111255 401398064 /nfs/dbraw/zinc/39/80/64/401398064.db2.gz NOZHQTYXTFMGMI-SNVBAGLBSA-N 0 3 304.615 3.129 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000627083772 401440934 /nfs/dbraw/zinc/44/09/34/401440934.db2.gz ZDTBZMLHPYMZQX-DNVCBOLYSA-N 0 3 323.440 3.447 10 30 DGEEHN C=C1CC(C)(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000631563441 401497842 /nfs/dbraw/zinc/49/78/42/401497842.db2.gz VIKLHEXBSDHYMZ-QGZVFWFLSA-N 0 3 312.457 3.466 10 30 DGEEHN C=CC(C)(C)CCNCc1c(Br)c(C)nn1C ZINC000623593070 401552415 /nfs/dbraw/zinc/55/24/15/401552415.db2.gz RVUIJIHMCRGXCO-UHFFFAOYSA-N 0 3 300.244 3.183 10 30 DGEEHN C=C1CC(C)(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC000632528321 401612980 /nfs/dbraw/zinc/61/29/80/401612980.db2.gz VLFCZNQADXAPFU-UHFFFAOYSA-N 0 3 313.445 3.123 10 30 DGEEHN C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000632701595 401620348 /nfs/dbraw/zinc/62/03/48/401620348.db2.gz LTHZCNIKSFJLSW-RDJZCZTQSA-N 0 3 300.446 3.459 10 30 DGEEHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624544784 401670212 /nfs/dbraw/zinc/67/02/12/401670212.db2.gz DDSVWBDEMONJBT-KSZLIROESA-N 0 3 317.477 3.286 10 30 DGEEHN COc1ccc(C#N)cc1CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185623067 165010223 /nfs/dbraw/zinc/01/02/23/165010223.db2.gz QXOFFUIWUHORDM-GUYCJALGSA-N 0 3 308.381 3.221 10 30 DGEEHN Cn1cc(CNC[C@H]2CCC(C)(C)O2)c(-c2ccc(C#N)cc2)n1 ZINC000189714474 165174689 /nfs/dbraw/zinc/17/46/89/165174689.db2.gz JZUWWGBOYSIBEN-QGZVFWFLSA-N 0 3 324.428 3.006 10 30 DGEEHN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000192162882 165284895 /nfs/dbraw/zinc/28/48/95/165284895.db2.gz RUHCMIPYHVHLSA-CYBMUJFWSA-N 0 3 321.359 3.129 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@H](C)c2cccc(Cl)c2)CC1 ZINC000171698475 432161950 /nfs/dbraw/zinc/16/19/50/432161950.db2.gz IHVDQVWZMGRPLV-CYBMUJFWSA-N 0 3 321.852 3.351 10 30 DGEEHN C=CCCCCCN(C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000150881744 432197994 /nfs/dbraw/zinc/19/79/94/432197994.db2.gz CUZFTRAPIHHXLS-CQSZACIVSA-N 0 3 320.399 3.466 10 30 DGEEHN N#CCCCCN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000096981960 226879179 /nfs/dbraw/zinc/87/91/79/226879179.db2.gz UBCHWXMXOYWHKN-UHFFFAOYSA-N 0 3 321.852 3.030 10 30 DGEEHN N#C[C@@H]1CCC[C@H](NCc2ccc(N3CCCCC3=O)cc2)C1 ZINC000185794565 228396853 /nfs/dbraw/zinc/39/68/53/228396853.db2.gz KYWCFXDPBPDPCF-SJORKVTESA-N 0 3 311.429 3.375 10 30 DGEEHN CCN(Cc1ccc(C#N)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184801701 266137037 /nfs/dbraw/zinc/13/70/37/266137037.db2.gz VQTYXLQGDCEVLE-KRWDZBQOSA-N 0 3 309.413 3.248 10 30 DGEEHN C[C@H](CN1CCC[C@@H](C)C1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358555419 267156250 /nfs/dbraw/zinc/15/62/50/267156250.db2.gz KYGNYSGTEYSUEM-RBSFLKMASA-N 0 3 303.425 3.468 10 30 DGEEHN Cc1cc(C#N)nc(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000376458473 267317805 /nfs/dbraw/zinc/31/78/05/267317805.db2.gz BFOHOLOTBPWLQF-RDJZCZTQSA-N 0 3 321.428 3.122 10 30 DGEEHN C[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1 ZINC000329666622 278252751 /nfs/dbraw/zinc/25/27/51/278252751.db2.gz KZYPUVDDJSVGGQ-HANOVZDXSA-N 0 3 306.450 3.069 10 30 DGEEHN N#CCSCCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000074991029 431448850 /nfs/dbraw/zinc/44/88/50/431448850.db2.gz XCXDAPNHWJCQGU-UHFFFAOYSA-N 0 3 308.422 3.316 10 30 DGEEHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2c2ccco2)cc1 ZINC000116288788 431500620 /nfs/dbraw/zinc/50/06/20/431500620.db2.gz XYKUSMQIHWGPRO-MRXNPFEDSA-N 0 3 309.369 3.317 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000119282481 431670667 /nfs/dbraw/zinc/67/06/67/431670667.db2.gz VGTQDXGHBMKMLA-ZWKOTPCHSA-N 0 3 304.478 3.360 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000119282223 431671799 /nfs/dbraw/zinc/67/17/99/431671799.db2.gz VGTQDXGHBMKMLA-QZTJIDSGSA-N 0 3 304.478 3.360 10 30 DGEEHN N#Cc1ccc2ncc(CNCc3cccc4cccnc43)n2c1 ZINC000123502394 431866641 /nfs/dbraw/zinc/86/66/41/431866641.db2.gz FTRVIYZTKVWRJQ-UHFFFAOYSA-N 0 3 313.364 3.044 10 30 DGEEHN CC[C@@H](C(=O)NCc1ccc(-c2ccccc2C#N)cc1)N(C)C ZINC000091101573 431903204 /nfs/dbraw/zinc/90/32/04/431903204.db2.gz NNBFIGRRWIVNQJ-IBGZPJMESA-N 0 3 321.424 3.182 10 30 DGEEHN COc1ccc(C#N)cc1CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000127710493 431979483 /nfs/dbraw/zinc/97/94/83/431979483.db2.gz AQVNARMFWRGDKT-IAGOWNOFSA-N 0 3 310.401 3.037 10 30 DGEEHN C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCN(CC)C1 ZINC000057869589 431993501 /nfs/dbraw/zinc/99/35/01/431993501.db2.gz DKAGDJFPLVILDJ-INIZCTEOSA-N 0 3 319.424 3.008 10 30 DGEEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C#N)s1)CC2 ZINC000183319512 432281479 /nfs/dbraw/zinc/28/14/79/432281479.db2.gz HFRFVPDVWWDZID-VXGBXAGGSA-N 0 3 315.446 3.000 10 30 DGEEHN Cn1cc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000248906861 432329680 /nfs/dbraw/zinc/32/96/80/432329680.db2.gz WUZYAUDNSXQOIR-GDBMZVCRSA-N 0 3 315.442 3.046 10 30 DGEEHN OC[C@@H](C1CC1)N(CC#Cc1ccccc1)Cc1ccccc1 ZINC000192129643 432335634 /nfs/dbraw/zinc/33/56/34/432335634.db2.gz ZQGIPTDMNJYUAY-NRFANRHFSA-N 0 3 305.421 3.311 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000186067510 432555521 /nfs/dbraw/zinc/55/55/21/432555521.db2.gz ZNNHHAPXAPVZDG-JZXOWHBKSA-N 0 3 300.446 3.225 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)/C(C)=C/c2ccc(F)cc2)CC1 ZINC000176523542 432530691 /nfs/dbraw/zinc/53/06/91/432530691.db2.gz UOXKGEWDYAWDEE-NTCAYCPXSA-N 0 3 316.420 3.386 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000185863660 432540310 /nfs/dbraw/zinc/54/03/10/432540310.db2.gz NPAOBQPIOIHSLO-HNNXBMFYSA-N 0 3 304.434 3.476 10 30 DGEEHN C=CC[C@@H](CO)NCc1ccc(Br)cc1SC ZINC000273510538 432607398 /nfs/dbraw/zinc/60/73/98/432607398.db2.gz QTQXEPIKQXGFGQ-LBPRGKRZSA-N 0 3 316.264 3.198 10 30 DGEEHN Cc1nc(C[C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)no1 ZINC000186204196 432568312 /nfs/dbraw/zinc/56/83/12/432568312.db2.gz VCIVTIURZLYWAU-MRXNPFEDSA-N 0 3 310.401 3.013 10 30 DGEEHN COc1ccsc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000186217907 432569998 /nfs/dbraw/zinc/56/99/98/432569998.db2.gz LISNTSITPNTWSC-GFCCVEGCSA-N 0 3 302.399 3.358 10 30 DGEEHN FC(F)(F)c1ccc(C#CCN2CCCN(C3CC3)CC2)cc1 ZINC000177177052 432594242 /nfs/dbraw/zinc/59/42/42/432594242.db2.gz ISBSMWOEZCKXIA-UHFFFAOYSA-N 0 3 322.374 3.227 10 30 DGEEHN C=CC[C@@H](CO)N[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000186707681 432624439 /nfs/dbraw/zinc/62/44/39/432624439.db2.gz GLVXDFAHIINSFH-RISCZKNCSA-N 0 3 303.431 3.101 10 30 DGEEHN CN(C)Cc1cc(CNCc2cc(C#N)cs2)ccc1F ZINC000177702291 432652827 /nfs/dbraw/zinc/65/28/27/432652827.db2.gz HVCXVZKWGRNOCP-UHFFFAOYSA-N 0 3 303.406 3.110 10 30 DGEEHN N#CCCCOc1cccc(CN2CCC[C@H]2Cn2ccnc2)c1 ZINC000188413559 432723882 /nfs/dbraw/zinc/72/38/82/432723882.db2.gz FNZYFLPIVFFOIY-SFHVURJKSA-N 0 3 324.428 3.230 10 30 DGEEHN CN1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000179013560 432796446 /nfs/dbraw/zinc/79/64/46/432796446.db2.gz PJOFTVDUSMKQJX-ROUUACIJSA-N 0 3 320.396 3.125 10 30 DGEEHN C=CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000245676893 432854177 /nfs/dbraw/zinc/85/41/77/432854177.db2.gz UGNIPNKVMZPTHC-QZTJIDSGSA-N 0 3 313.445 3.039 10 30 DGEEHN Cc1cccc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2C2CC2)c1C ZINC000330267025 432901358 /nfs/dbraw/zinc/90/13/58/432901358.db2.gz QFURUEORXBLTSE-JQFCIGGWSA-N 0 3 302.418 3.437 10 30 DGEEHN C#Cc1ccc(CNC(=O)Nc2ccccc2CCN(C)C)cc1 ZINC000297777892 433016301 /nfs/dbraw/zinc/01/63/01/433016301.db2.gz LXXZEBQYZCMHHS-UHFFFAOYSA-N 0 3 321.424 3.094 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453335764 433098429 /nfs/dbraw/zinc/09/84/29/433098429.db2.gz FVBHELIRCCOTAS-OGWOLHLISA-N 0 3 311.429 3.471 10 30 DGEEHN C#CCCCCC(=O)NC[C@H]1CCCN1CCc1ccccc1 ZINC000373142390 433102886 /nfs/dbraw/zinc/10/28/86/433102886.db2.gz STPVVQLSCOQFQD-LJQANCHMSA-N 0 3 312.457 3.003 10 30 DGEEHN C=CCCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000447968970 433336311 /nfs/dbraw/zinc/33/63/11/433336311.db2.gz TWLOGRWELDOWFG-QGZVFWFLSA-N 0 3 301.434 3.089 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(C)c2)CC1 ZINC000454458000 433434265 /nfs/dbraw/zinc/43/42/65/433434265.db2.gz FDQUOSLGPXFYNT-INIZCTEOSA-N 0 3 315.461 3.396 10 30 DGEEHN Cc1cc(C#N)cc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)n1 ZINC000342504353 433732627 /nfs/dbraw/zinc/73/26/27/433732627.db2.gz DFIVGHJEEAYFDR-MAUKXSAKSA-N 0 3 306.413 3.337 10 30 DGEEHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)c1cccc(C#N)n1 ZINC000301871655 433769410 /nfs/dbraw/zinc/76/94/10/433769410.db2.gz WWLPKWCOJNLTNV-APWZRJJASA-N 0 3 320.440 3.300 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC12CCC2)C(C)C ZINC000435610533 433877021 /nfs/dbraw/zinc/87/70/21/433877021.db2.gz KHDONLOYOIPNQP-MRXNPFEDSA-N 0 3 305.466 3.023 10 30 DGEEHN C[C@@H]1CCCN1CC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328614129 434287800 /nfs/dbraw/zinc/28/78/00/434287800.db2.gz VLWAZIDSHKUWRZ-QGPMSJSTSA-N 0 3 302.418 3.205 10 30 DGEEHN CN1CC[C@@H](CNC(=O)CCc2ccco2)[C@@H]1c1cccnc1 ZINC000328634253 434292120 /nfs/dbraw/zinc/29/21/20/434292120.db2.gz TXCVZEBZEFVXTN-YJBOKZPZSA-N 0 3 313.401 3.257 10 30 DGEEHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000328830131 434318006 /nfs/dbraw/zinc/31/80/06/434318006.db2.gz KKNMMNLQXBIRAE-OIISXLGYSA-N 0 3 321.428 3.343 10 30 DGEEHN C=CC[C@H](CO)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000295440810 434364165 /nfs/dbraw/zinc/36/41/65/434364165.db2.gz PLFWTNXSDNBFFP-NOZJJQNGSA-N 0 3 314.198 3.102 10 30 DGEEHN CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+][C@@H]1CC=CCC1)C2 ZINC000329625603 434447202 /nfs/dbraw/zinc/44/72/02/434447202.db2.gz VGKDFQLYQZRAOB-KGLIPLIRSA-N 0 3 316.449 3.108 10 30 DGEEHN COc1cc(CN2CCC(C3CCOCC3)CC2)ccc1C#N ZINC000367034830 434536400 /nfs/dbraw/zinc/53/64/00/434536400.db2.gz DRPUWJUBMHLOEL-UHFFFAOYSA-N 0 3 314.429 3.205 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418346831 434632536 /nfs/dbraw/zinc/63/25/36/434632536.db2.gz HZEVFYSOWJDXHC-KRWDZBQOSA-N 0 3 303.450 3.417 10 30 DGEEHN C=CCN1CCC(Nc2ccc3c(Cl)cccc3n2)CC1 ZINC000443443338 434777488 /nfs/dbraw/zinc/77/74/88/434777488.db2.gz MUIZENQLDRERQU-UHFFFAOYSA-N 0 3 301.821 3.951 10 30 DGEEHN C=CCN1CC[C@H](N2C[C@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000411992568 434852188 /nfs/dbraw/zinc/85/21/88/434852188.db2.gz VKGDZLFGCMWBBI-MSOLQXFVSA-N 0 3 310.441 3.043 10 30 DGEEHN C=CCOc1ccc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1OC ZINC000527803089 435016332 /nfs/dbraw/zinc/01/63/32/435016332.db2.gz USVHWRKZYMVVKU-ZXTQRBJTSA-N 0 3 305.418 3.162 10 30 DGEEHN C=CCN1CC[C@H](N2CC[C@H](c3cccc(F)c3)C2(C)C)C1=O ZINC000528773086 435029092 /nfs/dbraw/zinc/02/90/92/435029092.db2.gz GTGBLLFWTUCCIU-SJORKVTESA-N 0 3 316.420 3.181 10 30 DGEEHN CC#CCCCC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000493036893 435097084 /nfs/dbraw/zinc/09/70/84/435097084.db2.gz WZPPORFKPMERSR-HXUWFJFHSA-N 0 3 312.457 3.351 10 30 DGEEHN C=CCCc1ccccc1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000558638014 435101124 /nfs/dbraw/zinc/10/11/24/435101124.db2.gz DMDQWGFYJQZVME-HNNXBMFYSA-N 0 3 301.434 3.269 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000565854518 435283434 /nfs/dbraw/zinc/28/34/34/435283434.db2.gz OERKVLOFBATTBQ-JZXOWHBKSA-N 0 3 300.446 3.368 10 30 DGEEHN C=CC[C@@H](CO)NCc1cc2cc(Br)ccc2o1 ZINC000517588051 435601747 /nfs/dbraw/zinc/60/17/47/435601747.db2.gz GXZOLWIOKDFCKY-LBPRGKRZSA-N 0 3 310.191 3.222 10 30 DGEEHN CCC(CC)(CN[C@@H](C)c1ccc(C#N)cc1F)C(=O)OC ZINC000546166567 314294205 /nfs/dbraw/zinc/29/42/05/314294205.db2.gz LQXSLQMCDMWAAP-LBPRGKRZSA-N 0 3 306.381 3.327 10 30 DGEEHN N#Cc1ccc(C(F)(F)F)nc1NC[C@H]1CCCCN1C1CC1 ZINC000577016530 316193300 /nfs/dbraw/zinc/19/33/00/316193300.db2.gz LTTYRUHYGZXNMY-CYBMUJFWSA-N 0 3 324.350 3.401 10 30 DGEEHN C[C@H](NCCOc1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000182304223 323291771 /nfs/dbraw/zinc/29/17/71/323291771.db2.gz XXHQFJLQLDPDAS-ZDUSSCGKSA-N 0 3 310.353 3.017 10 30 DGEEHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000101583038 334331962 /nfs/dbraw/zinc/33/19/62/334331962.db2.gz IRGRKKOIDODMDR-CVEARBPZSA-N 0 3 318.461 3.453 10 30 DGEEHN C=CCOc1ccc(CNC[C@H](O)CCc2ccccc2)cc1 ZINC000541384776 340969191 /nfs/dbraw/zinc/96/91/91/340969191.db2.gz ZINZILSMAHSABN-LJQANCHMSA-N 0 3 311.425 3.335 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000076971110 341216461 /nfs/dbraw/zinc/21/64/61/341216461.db2.gz VSYUMYLJWDWIIJ-QGZVFWFLSA-N 0 3 303.450 3.205 10 30 DGEEHN C=CC[C@@H](C(=O)NCCN1CCCC[C@@H]1C)c1ccccc1 ZINC000249599532 341399799 /nfs/dbraw/zinc/39/97/99/341399799.db2.gz XULBDEHEXCZFMA-FUHWJXTLSA-N 0 3 300.446 3.337 10 30 DGEEHN C=CC[C@H](C)NC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000488921567 534334521 /nfs/dbraw/zinc/33/45/21/534334521.db2.gz ROIBBPSMBPSZQB-QFBILLFUSA-N 0 3 315.461 3.305 10 30 DGEEHN C=CCN1CCC(NC(=O)N(C)Cc2cc(C)ccc2C)CC1 ZINC000428592670 526424308 /nfs/dbraw/zinc/42/43/08/526424308.db2.gz TYWAAOQJFWLWAX-UHFFFAOYSA-N 0 3 315.461 3.095 10 30 DGEEHN C=CCOc1ccc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000341051557 526845397 /nfs/dbraw/zinc/84/53/97/526845397.db2.gz FCHPUUTXDAGOHG-IYBDPMFKSA-N 0 3 316.445 3.244 10 30 DGEEHN C=CCOc1ccc(CN(C[C@@H](C)C(=O)OC)C2CC2)cc1 ZINC000357217643 526862749 /nfs/dbraw/zinc/86/27/49/526862749.db2.gz VFEVRVVEAMCWGH-CQSZACIVSA-N 0 3 303.402 3.025 10 30 DGEEHN C=CCOc1ccc(CN(CCN(C)C)Cc2ccco2)cc1 ZINC000349317743 526863252 /nfs/dbraw/zinc/86/32/52/526863252.db2.gz PYRQFHIWJOQKHC-UHFFFAOYSA-N 0 3 314.429 3.408 10 30 DGEEHN C=CCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@]23CCCO3)cc1 ZINC000353892009 526889918 /nfs/dbraw/zinc/88/99/18/526889918.db2.gz YZTCSZVECVCURQ-QYZOEREBSA-N 0 3 317.429 3.068 10 30 DGEEHN C=CCOc1cccc(CNC2(CC(=O)OC)CCCC2)c1 ZINC000338960573 526901713 /nfs/dbraw/zinc/90/17/13/526901713.db2.gz COFKEKJMOKUJRR-UHFFFAOYSA-N 0 3 303.402 3.217 10 30 DGEEHN C=CCOc1ccccc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000354008096 526932414 /nfs/dbraw/zinc/93/24/14/526932414.db2.gz BIXNYBGJBFXOJM-GOSISDBHSA-N 0 3 317.429 3.021 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1csc(-c2ccccc2)n1 ZINC000424178494 527497497 /nfs/dbraw/zinc/49/74/97/527497497.db2.gz WIUDACMFKOMFER-HOCLYGCPSA-N 0 3 300.427 3.491 10 30 DGEEHN CC[C@H](CC#N)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299993425 546435080 /nfs/dbraw/zinc/43/50/80/546435080.db2.gz XZUATLFVBIFMDR-QLFBSQMISA-N 0 3 309.454 3.304 10 30 DGEEHN Cc1c(Br)cccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594426486 547031804 /nfs/dbraw/zinc/03/18/04/547031804.db2.gz DDMPNZIHFBMVSM-LBPRGKRZSA-N 0 3 324.222 3.107 10 30 DGEEHN C=CCCC(=O)OC[C@H]1CCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000735902268 574721559 /nfs/dbraw/zinc/72/15/59/574721559.db2.gz DHKHRWYYYFAOHK-CRAIPNDOSA-N 0 3 303.402 3.197 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@](C)(O)c1cc(C)oc1C ZINC000742374187 574993460 /nfs/dbraw/zinc/99/34/60/574993460.db2.gz LRQFJLYOPGTDJP-LJQANCHMSA-N 0 3 315.413 3.459 10 30 DGEEHN N#CC(C(=O)CCC(=O)c1ccc(F)c(F)c1)c1ccccn1 ZINC000119954128 621755277 /nfs/dbraw/zinc/75/52/77/621755277.db2.gz VPZFELALPHQGSV-GFCCVEGCSA-N 0 3 314.291 3.199 10 30 DGEEHN C=CCSCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000237820498 1202704390 /nfs/dbraw/zinc/70/43/90/1202704390.db2.gz WXGNJYDBJAGDEB-UHFFFAOYSA-N 0 3 318.345 3.205 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000129309764 432003888 /nfs/dbraw/zinc/00/38/88/432003888.db2.gz XPVUOPGVYBYVTP-OAHLLOKOSA-N 0 3 314.348 3.243 10 30 DGEEHN COc1ccc(CN[C@H]2CCN(C)[C@H]2c2ccccc2)cc1C#N ZINC000179045993 432035354 /nfs/dbraw/zinc/03/53/54/432035354.db2.gz NLSCIEPMAGNTCK-ICSRJNTNSA-N 0 3 321.424 3.102 10 30 DGEEHN N#CC1(CCCN2CC[C@@H](O)c3ccccc3C2)CCOCC1 ZINC000369187965 283044691 /nfs/dbraw/zinc/04/46/91/283044691.db2.gz KROZJMLIUBRSIK-GOSISDBHSA-N 0 3 314.429 3.026 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179261419 432052700 /nfs/dbraw/zinc/05/27/00/432052700.db2.gz CNXZWJQYWFVOFF-IRXDYDNUSA-N 0 3 301.434 3.039 10 30 DGEEHN N#CC1CCC(CNCc2ccc(Br)cn2)CC1 ZINC000441388561 239047076 /nfs/dbraw/zinc/04/70/76/239047076.db2.gz SBHGYVRNOIFPLL-UHFFFAOYSA-N 0 3 308.223 3.264 10 30 DGEEHN C=CCC[C@@H](O)CNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451146880 241021520 /nfs/dbraw/zinc/02/15/20/241021520.db2.gz MMLRRYKCDWMJCS-CYBMUJFWSA-N 0 3 315.335 3.491 10 30 DGEEHN CC(C)N(CCC#N)[C@@H](CN)c1cccc(Br)c1 ZINC000043021803 183329342 /nfs/dbraw/zinc/32/93/42/183329342.db2.gz AJEISTXYWCSVAO-AWEZNQCLSA-N 0 3 310.239 3.073 10 30 DGEEHN C#CCN1CCC(C(=O)N[C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000156532468 197121314 /nfs/dbraw/zinc/12/13/14/197121314.db2.gz DYVLRECVDNXPET-IBGZPJMESA-N 0 3 324.468 3.162 10 30 DGEEHN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc2ccccc2c1 ZINC000181510740 533370043 /nfs/dbraw/zinc/37/00/43/533370043.db2.gz ZBPXZEDERXDAGW-OAHLLOKOSA-N 0 3 309.413 3.253 10 30 DGEEHN COc1cccc(/C=N/[C@@H](C)CN(C)Cc2ccccc2)c1O ZINC000183390569 533390151 /nfs/dbraw/zinc/39/01/51/533390151.db2.gz OAAPLJOVGLHOFI-SLDJAQPHSA-N 0 3 312.413 3.340 10 30 DGEEHN C=C(C)CN1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000307169702 400128680 /nfs/dbraw/zinc/12/86/80/400128680.db2.gz YULMWLQTFAJJNG-DTWKUNHWSA-N 0 3 309.045 3.000 10 30 DGEEHN Cn1ccnc1C[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000610488885 400263075 /nfs/dbraw/zinc/26/30/75/400263075.db2.gz QULUWHLTXLKPEC-QGZVFWFLSA-N 0 3 322.437 3.427 10 30 DGEEHN C=CC(C)(C)C[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000384849370 400260626 /nfs/dbraw/zinc/26/06/26/400260626.db2.gz KWVMNCGBCSKLFG-UHFFFAOYSA-N 0 3 314.223 3.465 10 30 DGEEHN C=CCCCNCc1ccc(C(=O)OC)cc1Br ZINC000385543248 400262466 /nfs/dbraw/zinc/26/24/66/400262466.db2.gz NDIALUJOIZXBQS-UHFFFAOYSA-N 0 3 312.207 3.292 10 30 DGEEHN COC(=O)C(C)(C)[C@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000611463007 400404996 /nfs/dbraw/zinc/40/49/96/400404996.db2.gz YQXRHJULBSOSSB-OAHLLOKOSA-N 0 3 302.418 3.456 10 30 DGEEHN C=CC[C@H]1CCCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000617782111 400453284 /nfs/dbraw/zinc/45/32/84/400453284.db2.gz YUTHVZRKSNRYOF-KRWDZBQOSA-N 0 3 312.457 3.250 10 30 DGEEHN C=CC[C@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000617785155 400454187 /nfs/dbraw/zinc/45/41/87/400454187.db2.gz FGHGMYKZZMLWPI-INIZCTEOSA-N 0 3 316.445 3.055 10 30 DGEEHN COc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)cc1F ZINC000121566018 400456399 /nfs/dbraw/zinc/45/63/99/400456399.db2.gz ZWIKVRDBCUAAFQ-CYBMUJFWSA-N 0 3 314.360 3.436 10 30 DGEEHN N#CCc1ccc(CN2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000612104127 400492947 /nfs/dbraw/zinc/49/29/47/400492947.db2.gz PKTYLJAVGNAKDA-QGZVFWFLSA-N 0 3 321.428 3.059 10 30 DGEEHN C=CCN1CCC(NC(=O)NCC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000604652374 400792717 /nfs/dbraw/zinc/79/27/17/400792717.db2.gz JTHROJOUYORSLS-CVEARBPZSA-N 0 3 307.482 3.152 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181299274 400888021 /nfs/dbraw/zinc/88/80/21/400888021.db2.gz WIPXRHJZCGRJHX-MRXNPFEDSA-N 0 3 303.450 3.115 10 30 DGEEHN C=CCOc1ccccc1CNCC1(C(=O)OC)CCCC1 ZINC000619654291 400878174 /nfs/dbraw/zinc/87/81/74/400878174.db2.gz CSGBYWRPLMKBRM-UHFFFAOYSA-N 0 3 303.402 3.074 10 30 DGEEHN C=CCCCN(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000605842278 400886091 /nfs/dbraw/zinc/88/60/91/400886091.db2.gz RESYDJNKYNXXSQ-UHFFFAOYSA-N 0 3 303.450 3.116 10 30 DGEEHN CC(C)(C)c1ncc(CNCCOc2ccc(C#N)cc2)s1 ZINC000174559340 400859588 /nfs/dbraw/zinc/85/95/88/400859588.db2.gz SVYNDWHHEHORDR-UHFFFAOYSA-N 0 3 315.442 3.481 10 30 DGEEHN C=CCOc1cccc(NC(=O)NCCN2CCCC[C@@H]2C)c1 ZINC000056625092 400938930 /nfs/dbraw/zinc/93/89/30/400938930.db2.gz YDQQPBWHVLLDCO-HNNXBMFYSA-N 0 3 317.433 3.247 10 30 DGEEHN C=CC[C@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624788553 400951483 /nfs/dbraw/zinc/95/14/83/400951483.db2.gz VSEJKLZFNMTTME-DOTOQJQBSA-N 0 3 305.466 3.001 10 30 DGEEHN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000079846173 400900700 /nfs/dbraw/zinc/90/07/00/400900700.db2.gz ZBBMRXODCONXTJ-OAHLLOKOSA-N 0 3 301.434 3.223 10 30 DGEEHN C=C(C)COCCN[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594497529 401081557 /nfs/dbraw/zinc/08/15/57/401081557.db2.gz DJEJEOKNYFIFJR-QGZVFWFLSA-N 0 3 303.402 3.033 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC)cc1 ZINC000630023957 401159972 /nfs/dbraw/zinc/15/99/72/401159972.db2.gz QHHSVUJFMBKHRC-JKSUJKDBSA-N 0 3 316.445 3.325 10 30 DGEEHN C=CC[C@@H]1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000625703957 401188420 /nfs/dbraw/zinc/18/84/20/401188420.db2.gz QFHCUDUXHIHHPH-LSDHHAIUSA-N 0 3 304.409 3.243 10 30 DGEEHN C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625943243 401262117 /nfs/dbraw/zinc/26/21/17/401262117.db2.gz PMFISJCHKYDVME-UHFFFAOYSA-N 0 3 317.433 3.379 10 30 DGEEHN C=CCOc1c(Cl)cc(CNc2nccn2C)cc1OC ZINC000630955173 401359424 /nfs/dbraw/zinc/35/94/24/401359424.db2.gz VIJRCSBMTJVHTR-UHFFFAOYSA-N 0 3 307.781 3.259 10 30 DGEEHN C=CC[C@@H]1CCN(Cc2c(C)nn(C)c2OCC(F)(F)F)C1 ZINC000628405641 401592076 /nfs/dbraw/zinc/59/20/76/401592076.db2.gz QIMHBBOWKUXEOJ-GFCCVEGCSA-N 0 3 317.355 3.068 10 30 DGEEHN C=CC[C@H]1CCN(Cc2cn3ccc(Br)cc3n2)C1 ZINC000628407141 401592698 /nfs/dbraw/zinc/59/26/98/401592698.db2.gz ZVOHIDCFZBQPOQ-LBPRGKRZSA-N 0 3 320.234 3.495 10 30 DGEEHN C=CC[C@H](C(=O)NC[C@H]1CCN1C1CCCC1)c1ccccc1 ZINC000628964730 401650476 /nfs/dbraw/zinc/65/04/76/401650476.db2.gz GVVAHVFMSWECEV-MOPGFXCFSA-N 0 3 312.457 3.479 10 30 DGEEHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1C[C@H]1C ZINC000629107815 401663699 /nfs/dbraw/zinc/66/36/99/401663699.db2.gz YTJGXRNSEVMJNB-CABCVRRESA-N 0 3 320.506 3.241 10 30 DGEEHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1C[C@@H]1C ZINC000629107816 401663847 /nfs/dbraw/zinc/66/38/47/401663847.db2.gz YTJGXRNSEVMJNB-GJZGRUSLSA-N 0 3 320.506 3.241 10 30 DGEEHN N#Cc1cccc(OCCN2CCC[C@@H](c3nccs3)C2)c1 ZINC000195356077 165367547 /nfs/dbraw/zinc/36/75/47/165367547.db2.gz QRVOVHXZKSPDGU-OAHLLOKOSA-N 0 3 313.426 3.273 10 30 DGEEHN CC(=O)Nc1ccc([C@H](C)NCCOc2ccc(C#N)cc2)cc1 ZINC000182144918 432159962 /nfs/dbraw/zinc/15/99/62/432159962.db2.gz HXRLNDMONYUFEE-AWEZNQCLSA-N 0 3 323.396 3.246 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000171698471 432161962 /nfs/dbraw/zinc/16/19/62/432161962.db2.gz IHVDQVWZMGRPLV-ZDUSSCGKSA-N 0 3 321.852 3.351 10 30 DGEEHN C=CCCCC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190540805 432168885 /nfs/dbraw/zinc/16/88/85/432168885.db2.gz RZZNCIWAIGIZDC-HNNXBMFYSA-N 0 3 321.490 3.088 10 30 DGEEHN Cc1ccc(NCC2(N3CCSCC3)CCCC2)nc1C#N ZINC000302670325 230343664 /nfs/dbraw/zinc/34/36/64/230343664.db2.gz RHQUZWXXRHVUDO-UHFFFAOYSA-N 0 3 316.474 3.035 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc(C#N)cc1F ZINC000358580612 269881732 /nfs/dbraw/zinc/88/17/32/269881732.db2.gz YGJWWEJJNUEICV-RVSPLBMKSA-N 0 3 320.433 3.403 10 30 DGEEHN C[C@H](CC(=O)OC(C)(C)C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358566067 267145979 /nfs/dbraw/zinc/14/59/79/267145979.db2.gz ICOGHEPHQVVFAM-VXGBXAGGSA-N 0 3 306.381 3.468 10 30 DGEEHN C#CCOc1ccc(CN[C@H](CN(C)C)c2ccccc2)cc1 ZINC000113315801 431343163 /nfs/dbraw/zinc/34/31/63/431343163.db2.gz AGIHDCRFWHLDJQ-HXUWFJFHSA-N 0 3 308.425 3.091 10 30 DGEEHN C[C@H](c1ccc(C#N)cc1)N1CCC(Cc2nccn2C)CC1 ZINC000118398405 431603310 /nfs/dbraw/zinc/60/33/10/431603310.db2.gz NGFAFHUPFBZBDV-OAHLLOKOSA-N 0 3 308.429 3.307 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000078533607 431679556 /nfs/dbraw/zinc/67/95/56/431679556.db2.gz FKPCDLICXROLTK-INIZCTEOSA-N 0 3 315.461 3.396 10 30 DGEEHN N#Cc1cnc(Nc2cc(NCC3CCCCC3)c(N)cn2)cn1 ZINC000098178664 431980573 /nfs/dbraw/zinc/98/05/73/431980573.db2.gz NEQZGAFAXIUKHF-UHFFFAOYSA-N 0 3 323.404 3.061 10 30 DGEEHN C[C@H](NCC#Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000192154175 432337804 /nfs/dbraw/zinc/33/78/04/432337804.db2.gz SJRJYVKECWXZGM-INIZCTEOSA-N 0 3 320.392 3.346 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184267755 432372962 /nfs/dbraw/zinc/37/29/62/432372962.db2.gz PUKNAMWTTRXWBF-MRXNPFEDSA-N 0 3 315.461 3.369 10 30 DGEEHN CN(CCN(C)Cc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000185156615 432471488 /nfs/dbraw/zinc/47/14/88/432471488.db2.gz UPLLXQJJEGBYFH-UHFFFAOYSA-N 0 3 311.404 3.261 10 30 DGEEHN N#Cc1ccc2ncc(CN3CC[C@H](Cc4ccccc4)C3)n2c1 ZINC000155088911 432538108 /nfs/dbraw/zinc/53/81/08/432538108.db2.gz CKZWJXZPSMAIQL-QGZVFWFLSA-N 0 3 316.408 3.271 10 30 DGEEHN CN(C)Cc1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000187955410 432695234 /nfs/dbraw/zinc/69/52/34/432695234.db2.gz APDZVUXKAOEGES-UHFFFAOYSA-N 0 3 319.408 3.290 10 30 DGEEHN Cc1nc(CC2CC2)oc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000330017091 432888489 /nfs/dbraw/zinc/88/84/89/432888489.db2.gz QODBZXVTXRWAGE-GOOCMWNKSA-N 0 3 317.433 3.255 10 30 DGEEHN C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1)N1CCCCCC1 ZINC000328867357 289232020 /nfs/dbraw/zinc/23/20/20/289232020.db2.gz CCRQUBPBPHOGCN-XPKDYRNWSA-N 0 3 307.438 3.105 10 30 DGEEHN C=CCC[C@H](CO)N[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453355472 433117716 /nfs/dbraw/zinc/11/77/16/433117716.db2.gz MHPOHUBBICXNDU-IUODEOHRSA-N 0 3 314.351 3.395 10 30 DGEEHN CN(Cc1ccccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336656351 433171755 /nfs/dbraw/zinc/17/17/55/433171755.db2.gz MKEWBKANAXLAKX-FQEVSTJZSA-N 0 3 305.425 3.265 10 30 DGEEHN C[C@H](NC[C@H]1N(C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036290 433356421 /nfs/dbraw/zinc/35/64/21/433356421.db2.gz XDXWOCVZDPGCBY-SUMWQHHRSA-N 0 3 303.425 3.468 10 30 DGEEHN C=CCCCNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000447968927 433336763 /nfs/dbraw/zinc/33/67/63/433336763.db2.gz SVZLNRJJSPLMBO-QGZVFWFLSA-N 0 3 303.450 3.335 10 30 DGEEHN C=CCSc1ccccc1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000361767209 433382577 /nfs/dbraw/zinc/38/25/77/433382577.db2.gz CDUSGZBOCQAFNB-HNNXBMFYSA-N 0 3 316.470 3.273 10 30 DGEEHN C=CCSc1ccccc1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000361767213 433382898 /nfs/dbraw/zinc/38/28/98/433382898.db2.gz CDUSGZBOCQAFNB-OAHLLOKOSA-N 0 3 316.470 3.273 10 30 DGEEHN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000448809609 433563154 /nfs/dbraw/zinc/56/31/54/433563154.db2.gz JSJQQENAEGAIFY-QGZVFWFLSA-N 0 3 300.446 3.370 10 30 DGEEHN N#Cc1ccc2ncc(CN[C@@H]3CCCc4sccc43)n2c1 ZINC000160975962 292825353 /nfs/dbraw/zinc/82/53/53/292825353.db2.gz AUZIWAGPTOSQHB-OAHLLOKOSA-N 0 3 308.410 3.435 10 30 DGEEHN Cc1cc(C#N)cc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1 ZINC000342504354 433732532 /nfs/dbraw/zinc/73/25/32/433732532.db2.gz DFIVGHJEEAYFDR-QAPCUYQASA-N 0 3 306.413 3.337 10 30 DGEEHN Cc1cc(C#N)nc(N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)n1 ZINC000376458471 433745094 /nfs/dbraw/zinc/74/50/94/433745094.db2.gz BFOHOLOTBPWLQF-DOTOQJQBSA-N 0 3 321.428 3.122 10 30 DGEEHN C=CCOc1ccc(CN[C@H]2CCCC[C@@H]2OC)cc1OC ZINC000362970377 433935295 /nfs/dbraw/zinc/93/52/95/433935295.db2.gz UFPPOVMEFKHHNL-HOTGVXAUSA-N 0 3 305.418 3.307 10 30 DGEEHN C=CCN[C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000353152787 434068697 /nfs/dbraw/zinc/06/86/97/434068697.db2.gz IQJLXTREKKQSKL-AWEZNQCLSA-N 0 3 312.207 3.003 10 30 DGEEHN C=CCCC[C@H](C)NC(=O)CCN1CCc2ccccc2C1 ZINC000416192197 434054333 /nfs/dbraw/zinc/05/43/33/434054333.db2.gz QAMNPIQZDIPNLH-INIZCTEOSA-N 0 3 300.446 3.296 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1nc(-c2ccccc2)cs1 ZINC000424178660 434647276 /nfs/dbraw/zinc/64/72/76/434647276.db2.gz WOJAXVOKTMOMNR-HOCLYGCPSA-N 0 3 300.427 3.491 10 30 DGEEHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(C3CC3)c2)CC1 ZINC000439784454 434648787 /nfs/dbraw/zinc/64/87/87/434648787.db2.gz CXTWCMGNPPKGLH-UHFFFAOYSA-N 0 3 317.408 3.475 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000424297922 434682033 /nfs/dbraw/zinc/68/20/33/434682033.db2.gz RJKFCBBVXFGZAL-ZYSHUDEJSA-N 0 3 312.388 3.491 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000424297921 434682127 /nfs/dbraw/zinc/68/21/27/434682127.db2.gz RJKFCBBVXFGZAL-SNRMKQJTSA-N 0 3 312.388 3.491 10 30 DGEEHN C=C(C)CN1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000441218885 434763062 /nfs/dbraw/zinc/76/30/62/434763062.db2.gz UORFKOLKHUPYKI-APWZRJJASA-N 0 3 301.478 3.498 10 30 DGEEHN C(#Cc1ccccc1)CN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000577029829 435058223 /nfs/dbraw/zinc/05/82/23/435058223.db2.gz FPZIKHINJKLZDT-HXUWFJFHSA-N 0 3 302.421 3.175 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000575896295 435052880 /nfs/dbraw/zinc/05/28/80/435052880.db2.gz JFJYOTCEGZIDPE-SJLPKXTDSA-N 0 3 315.461 3.257 10 30 DGEEHN C=CCCN(C)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000466765089 435092796 /nfs/dbraw/zinc/09/27/96/435092796.db2.gz FAVCWKUGFNZULY-IBGZPJMESA-N 0 3 315.461 3.259 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H](CO)Cc1cccc(C)c1 ZINC000466905205 435097206 /nfs/dbraw/zinc/09/72/06/435097206.db2.gz DHUPQEAXVDKIGT-LJQANCHMSA-N 0 3 311.425 3.253 10 30 DGEEHN C=CCOCCN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000559154804 435122758 /nfs/dbraw/zinc/12/27/58/435122758.db2.gz GGMATLSKQCTPKY-OAGGEKHMSA-N 0 3 309.450 3.164 10 30 DGEEHN C=C(CC)C[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000313492810 331960074 /nfs/dbraw/zinc/96/00/74/331960074.db2.gz OZTVXPCUYLGGDV-UHFFFAOYSA-N 0 3 300.196 3.219 10 30 DGEEHN C=CCCCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000520501516 335983496 /nfs/dbraw/zinc/98/34/96/335983496.db2.gz ZFZCANNMBGULSN-SFHVURJKSA-N 0 3 315.461 3.397 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000509566338 340273692 /nfs/dbraw/zinc/27/36/92/340273692.db2.gz DYVIFFPHRNSQGY-CABCVRRESA-N 0 3 307.438 3.316 10 30 DGEEHN C=CCCCN(C)CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000076738479 341213536 /nfs/dbraw/zinc/21/35/36/341213536.db2.gz KLTZKJJHSCGESE-IBGZPJMESA-N 0 3 316.445 3.161 10 30 DGEEHN C=CC[C@@H](C(=O)NCCN1CCCC[C@H]1C)c1ccccc1 ZINC000249599534 341399778 /nfs/dbraw/zinc/39/97/78/341399778.db2.gz XULBDEHEXCZFMA-SJLPKXTDSA-N 0 3 300.446 3.337 10 30 DGEEHN C=CCc1cc(CNC[C@H]2CCCO2)cc(OC)c1OCC ZINC000013731184 519132104 /nfs/dbraw/zinc/13/21/04/519132104.db2.gz QDAXQQKMPBZOTK-MRXNPFEDSA-N 0 3 305.418 3.091 10 30 DGEEHN C=CCCCC[C@@H](C)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000449241173 534695415 /nfs/dbraw/zinc/69/54/15/534695415.db2.gz RSCNOYVODUJODE-NVXWUHKLSA-N 0 3 301.434 3.302 10 30 DGEEHN N#C[C@H]1CCC[C@@H](NCc2ccc(Cn3ccccc3=O)cc2)C1 ZINC000185795157 534748906 /nfs/dbraw/zinc/74/89/06/534748906.db2.gz CFZSPPCOZQIHGP-RBUKOAKNSA-N 0 3 321.424 3.069 10 30 DGEEHN C=CCC[C@H](O)CNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451146881 534806608 /nfs/dbraw/zinc/80/66/08/534806608.db2.gz MMLRRYKCDWMJCS-ZDUSSCGKSA-N 0 3 315.335 3.491 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000185224221 526694251 /nfs/dbraw/zinc/69/42/51/526694251.db2.gz AANXPJKRTBJRDG-OAHLLOKOSA-N 0 3 306.425 3.318 10 30 DGEEHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nccn1Cc1ccccc1 ZINC000435736572 526834492 /nfs/dbraw/zinc/83/44/92/526834492.db2.gz XZZIQJIAQVZFSA-IEBWSBKVSA-N 0 3 311.429 3.002 10 30 DGEEHN C=CCOc1ccc(CN2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000354035765 526865174 /nfs/dbraw/zinc/86/51/74/526865174.db2.gz DLRZTFLKUNVJBA-LJQANCHMSA-N 0 3 317.429 3.021 10 30 DGEEHN C=CCOc1ccc(CN2CCC[C@](CO)(C(C)C)C2)cc1 ZINC000354564427 526867368 /nfs/dbraw/zinc/86/73/68/526867368.db2.gz KNTDELJDCNRZJE-IBGZPJMESA-N 0 3 303.446 3.482 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H]1C[C@H](OCC)[C@]12CCCO2 ZINC000358570631 526952542 /nfs/dbraw/zinc/95/25/42/526952542.db2.gz NJITWUQPUOFKQT-QYZOEREBSA-N 0 3 317.429 3.068 10 30 DGEEHN C=CCCCN(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000347367343 527187042 /nfs/dbraw/zinc/18/70/42/527187042.db2.gz YWFRJWAYJHTMIE-UHFFFAOYSA-N 0 3 305.422 3.057 10 30 DGEEHN C=CCCC[C@@H](C)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000340944645 527251083 /nfs/dbraw/zinc/25/10/83/527251083.db2.gz AXSWEFNMAZAYPC-CQSZACIVSA-N 0 3 322.474 3.161 10 30 DGEEHN C=CCC[C@@H](NCCC1CCS(=O)(=O)CC1)c1ccco1 ZINC000353634507 527448379 /nfs/dbraw/zinc/44/83/79/527448379.db2.gz WFGSBAWCUWTMDX-OAHLLOKOSA-N 0 3 311.447 3.091 10 30 DGEEHN CCCCCCCN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000157938482 528133137 /nfs/dbraw/zinc/13/31/37/528133137.db2.gz YABVUYDWRPHMSY-LJQANCHMSA-N 0 3 304.478 3.308 10 30 DGEEHN CC[C@H]1CN(c2ccccc2)CCN1CCCSCC#N ZINC000184019145 529301390 /nfs/dbraw/zinc/30/13/90/529301390.db2.gz HVNOWVHIWRVQMU-INIZCTEOSA-N 0 3 303.475 3.234 10 30 DGEEHN CC[C@](C)(C#N)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000354831723 529349512 /nfs/dbraw/zinc/34/95/12/529349512.db2.gz ZOGIITSUYNKTMP-RTBURBONSA-N 0 3 313.445 3.097 10 30 DGEEHN CCN(CC)CC#Cc1c[nH]c2cncc(Br)c12 ZINC000725245710 549811259 /nfs/dbraw/zinc/81/12/59/549811259.db2.gz LJHJPADLKRYCFA-UHFFFAOYSA-N 0 3 306.207 3.019 10 30 DGEEHN C#CCOc1ccc(CN2CCC[C@H](n3ccnc3CC)C2)cc1 ZINC000122908754 622427964 /nfs/dbraw/zinc/42/79/64/622427964.db2.gz WWZQSCWFJWOHHY-SFHVURJKSA-N 0 3 323.440 3.295 10 30 DGEEHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000223006683 627271485 /nfs/dbraw/zinc/27/14/85/627271485.db2.gz LMPYSHSFIAPEMV-LXTVHRRPSA-N 0 3 307.438 3.104 10 30 DGEEHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000158751677 655790660 /nfs/dbraw/zinc/79/06/60/655790660.db2.gz XQUZJIMKJHEURC-IXDOHACOSA-N 0 3 312.413 3.147 10 30 DGEEHN [O-]c1cccnc1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000262304626 657502413 /nfs/dbraw/zinc/50/24/13/657502413.db2.gz ABVOKVPHYRIWHM-UHFFFAOYSA-N 0 3 310.401 3.241 10 30 DGEEHN CSCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000172349216 659331242 /nfs/dbraw/zinc/33/12/42/659331242.db2.gz TZZAWXJOOJYCII-LBPRGKRZSA-N 0 3 310.806 3.131 10 30 DGEEHN C=CCN1CCC(NC(=O)c2ccc(-c3ccccc3)n2C)CC1 ZINC000173579292 659393330 /nfs/dbraw/zinc/39/33/30/659393330.db2.gz HUERJLWCJZAFCW-UHFFFAOYSA-N 0 3 323.440 3.072 10 30 DGEEHN C#Cc1cccc(NC(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000043985015 661852537 /nfs/dbraw/zinc/85/25/37/661852537.db2.gz URGJFGACTZNXMQ-GOSISDBHSA-N 0 3 307.397 3.092 10 30 DGEEHN CCC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1[O-] ZINC000092704985 662334261 /nfs/dbraw/zinc/33/42/61/662334261.db2.gz WZMXGQULSXPCCA-UHFFFAOYSA-N 0 3 320.396 3.324 10 30 DGEEHN CCC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1[O-] ZINC000092704985 662334263 /nfs/dbraw/zinc/33/42/63/662334263.db2.gz WZMXGQULSXPCCA-UHFFFAOYSA-N 0 3 320.396 3.324 10 30 DGEEHN C#CCOc1ccccc1CN1CCC(c2cnn(CC)c2)CC1 ZINC000092809302 662336058 /nfs/dbraw/zinc/33/60/58/662336058.db2.gz BFMYREXGQSPGDR-UHFFFAOYSA-N 0 3 323.440 3.295 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@H](C)NC(=O)OC(C)(C)C ZINC000227675876 685117962 /nfs/dbraw/zinc/11/79/62/685117962.db2.gz SROOQJYXRRJFCP-CQSZACIVSA-N 0 3 320.433 3.254 10 30 DGEEHN C=CCN(CCCCC1(C)OCCO1)Cc1cccc(C#N)c1 ZINC000278567914 214242882 /nfs/dbraw/zinc/24/28/82/214242882.db2.gz IYTHTVMYRPFQRE-UHFFFAOYSA-N 0 3 314.429 3.480 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000129312054 432003588 /nfs/dbraw/zinc/00/35/88/432003588.db2.gz WTUMPQPGWYBPOE-CQSZACIVSA-N 0 3 300.321 3.233 10 30 DGEEHN C[C@H](NCCOc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000181755839 199347996 /nfs/dbraw/zinc/34/79/96/199347996.db2.gz WOXRTUQJMNRDJQ-AWEZNQCLSA-N 0 3 324.380 3.059 10 30 DGEEHN C=CCC[C@@H](CN1CCCN(C)CC1)Oc1ccc(Cl)cn1 ZINC000106717214 432021347 /nfs/dbraw/zinc/02/13/47/432021347.db2.gz GVTIGZHAFKRCKD-INIZCTEOSA-N 0 3 323.868 3.086 10 30 DGEEHN C#CCCOc1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000264963764 204308776 /nfs/dbraw/zinc/30/87/76/204308776.db2.gz PAINSWWWCUMBOW-SFHVURJKSA-N 0 3 322.408 3.357 10 30 DGEEHN CC(C)N(CCC#N)[C@@H](CN)c1ccc(Br)cc1 ZINC000042955392 183321518 /nfs/dbraw/zinc/32/15/18/183321518.db2.gz ZKWIPHWILUWQQV-AWEZNQCLSA-N 0 3 310.239 3.073 10 30 DGEEHN N#Cc1ccc(O[C@H](CN)c2ccc(Br)cc2)cc1 ZINC000042956878 183322693 /nfs/dbraw/zinc/32/26/93/183322693.db2.gz LSACSUUXWSIEFB-OAHLLOKOSA-N 0 3 317.186 3.400 10 30 DGEEHN N#Cc1ccc(O[C@@H](CN)c2cccc(Br)c2)cc1 ZINC000043022673 183330809 /nfs/dbraw/zinc/33/08/09/183330809.db2.gz DPAWYGHBVYNSFG-HNNXBMFYSA-N 0 3 317.186 3.400 10 30 DGEEHN C=CCOC[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)O1 ZINC000503719104 257207959 /nfs/dbraw/zinc/20/79/59/257207959.db2.gz XVNCDTMQCTXAGO-RCCFBDPRSA-N 0 3 305.393 3.150 10 30 DGEEHN CCN(CCc1nccs1)Cc1ccc(C#N)cc1OC ZINC000121586402 195311102 /nfs/dbraw/zinc/31/11/02/195311102.db2.gz HBRKYANRCMYUON-UHFFFAOYSA-N 0 3 301.415 3.088 10 30 DGEEHN CCN1CCN(c2ccccc2NCc2cccc(C#N)c2)CC1 ZINC000128306744 195953863 /nfs/dbraw/zinc/95/38/63/195953863.db2.gz QRZMKHRNKNRYQH-UHFFFAOYSA-N 0 3 320.440 3.312 10 30 DGEEHN C=CCCC[C@@H](C)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000091623583 400128090 /nfs/dbraw/zinc/12/80/90/400128090.db2.gz UZFLUZKXDHIGMA-CQSZACIVSA-N 0 3 312.408 3.141 10 30 DGEEHN Cn1ccnc1C[C@@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000610512292 400268043 /nfs/dbraw/zinc/26/80/43/400268043.db2.gz PZKFQWPDWDJKPW-QGZVFWFLSA-N 0 3 322.437 3.427 10 30 DGEEHN C=CC[C@@H]1CCCC[C@H]1NC(=O)CCN(C)c1ccncc1 ZINC000617041924 400291571 /nfs/dbraw/zinc/29/15/71/400291571.db2.gz KZSQCPMFWBNYGP-NVXWUHKLSA-N 0 3 301.434 3.159 10 30 DGEEHN CCc1ccc([C@@H](C)NCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000123183053 400466261 /nfs/dbraw/zinc/46/62/61/400466261.db2.gz OFJLEFJRZSRRQP-OAHLLOKOSA-N 0 3 313.445 3.242 10 30 DGEEHN COc1cc(/C=[N+](\C)[O-])ccc1OCc1ccccc1Cl ZINC000617913083 400475197 /nfs/dbraw/zinc/47/51/97/400475197.db2.gz GEGJSPBAMWUWAE-VCHYOVAHSA-N 0 3 306.769 3.378 10 30 DGEEHN C=CCC(C)(C)CNCc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602675668 400535727 /nfs/dbraw/zinc/53/57/27/400535727.db2.gz NPCPTWVFSRINBD-UHFFFAOYSA-N 0 3 307.438 3.067 10 30 DGEEHN C=CCOCCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602708869 400546700 /nfs/dbraw/zinc/54/67/00/400546700.db2.gz DUJWDBKUHGMNFU-UHFFFAOYSA-N 0 3 318.295 3.296 10 30 DGEEHN C=CCN(CC=C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000046345448 400560702 /nfs/dbraw/zinc/56/07/02/400560702.db2.gz VAFBYNFXDSKMHX-LBPRGKRZSA-N 0 3 316.228 3.407 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000076737094 400669577 /nfs/dbraw/zinc/66/95/77/400669577.db2.gz AKVZQYUREDEEFE-CQSZACIVSA-N 0 3 304.459 3.412 10 30 DGEEHN Cc1cc(CN2CCC[C@@H](c3nncn3C3CC3)C2)ccc1C#N ZINC000618751543 400682728 /nfs/dbraw/zinc/68/27/28/400682728.db2.gz GMGAJYDZCHGKSG-QGZVFWFLSA-N 0 3 321.428 3.173 10 30 DGEEHN C=CCC1(NC(=O)CCN2CCc3ccccc3C2)CCCC1 ZINC000619110241 400772157 /nfs/dbraw/zinc/77/21/57/400772157.db2.gz BTNCDRVFQKYQJX-UHFFFAOYSA-N 0 3 312.457 3.440 10 30 DGEEHN CCN(CCC#N)C(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000194127379 400919443 /nfs/dbraw/zinc/91/94/43/400919443.db2.gz QZZWFQHYLQYOQP-KRWDZBQOSA-N 0 3 319.836 3.143 10 30 DGEEHN C#CC[C@@H](N)c1ccc(Br)cc1Br ZINC000236316037 400978216 /nfs/dbraw/zinc/97/82/16/400978216.db2.gz PWGPELCIQOMTJD-SNVBAGLBSA-N 0 3 302.997 3.235 10 30 DGEEHN C#CC[C@H](N)c1cc(Br)sc1Br ZINC000236304943 400978463 /nfs/dbraw/zinc/97/84/63/400978463.db2.gz WMOUGWPOEWKYGX-LURJTMIESA-N 0 3 309.026 3.296 10 30 DGEEHN C=CC[C@H]1CCN(CC(=O)N(C)[C@H](C)c2ccccc2OC)C1 ZINC000625701406 401186683 /nfs/dbraw/zinc/18/66/83/401186683.db2.gz RDVYEXHVRMMTEZ-CVEARBPZSA-N 0 3 316.445 3.113 10 30 DGEEHN C=CC[C@H]1CCN(CC(=O)N(C)Cc2ccc(SC)cc2)C1 ZINC000625703982 401187614 /nfs/dbraw/zinc/18/76/14/401187614.db2.gz QIZYIYJJMWIUKE-HNNXBMFYSA-N 0 3 318.486 3.265 10 30 DGEEHN C=CC[C@@H]1CCN(C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000628406125 401591888 /nfs/dbraw/zinc/59/18/88/401591888.db2.gz CKQITKJUFBGYGE-LSDHHAIUSA-N 0 3 307.459 3.092 10 30 DGEEHN C=CC[C@H]1CCN(Cc2c(C)nn(C)c2OCC(F)(F)F)C1 ZINC000628405642 401592162 /nfs/dbraw/zinc/59/21/62/401592162.db2.gz QIMHBBOWKUXEOJ-LBPRGKRZSA-N 0 3 317.355 3.068 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C/C=C\C)C2)CC1 ZINC000623579165 401550225 /nfs/dbraw/zinc/55/02/25/401550225.db2.gz POQZFTJYASMXSN-VGOKWCNXSA-N 0 3 319.493 3.415 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NCc2csc(C)c2C)CC1 ZINC000632986874 401644819 /nfs/dbraw/zinc/64/48/19/401644819.db2.gz OBXRJJQRQXEVCY-UHFFFAOYSA-N 0 3 321.490 3.205 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000628486368 401606904 /nfs/dbraw/zinc/60/69/04/401606904.db2.gz HCIXTBUTJINTLM-QGZVFWFLSA-N 0 3 312.457 3.323 10 30 DGEEHN C=C1CC(C)(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000632701593 401620437 /nfs/dbraw/zinc/62/04/37/401620437.db2.gz LTHZCNIKSFJLSW-DOTOQJQBSA-N 0 3 300.446 3.459 10 30 DGEEHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1C[C@@H]1C ZINC000629107818 401663657 /nfs/dbraw/zinc/66/36/57/401663657.db2.gz YTJGXRNSEVMJNB-LSDHHAIUSA-N 0 3 320.506 3.241 10 30 DGEEHN CC(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000185365251 165001884 /nfs/dbraw/zinc/00/18/84/165001884.db2.gz IBRRDBYEWTXKBF-INIZCTEOSA-N 0 3 315.461 3.131 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187232224 165083256 /nfs/dbraw/zinc/08/32/56/165083256.db2.gz ZXOXYTQVTUOCFR-BEFAXECRSA-N 0 3 321.424 3.288 10 30 DGEEHN N#Cc1ccccc1OCCN1CCC[C@H](c2nccs2)C1 ZINC000195358652 165367730 /nfs/dbraw/zinc/36/77/30/165367730.db2.gz YICIHGZEVBJYGU-HNNXBMFYSA-N 0 3 313.426 3.273 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000171698836 432162088 /nfs/dbraw/zinc/16/20/88/432162088.db2.gz COMXPNSSYWTNCR-HNNXBMFYSA-N 0 3 315.461 3.260 10 30 DGEEHN Cc1nccn1CCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000130439701 227020987 /nfs/dbraw/zinc/02/09/87/227020987.db2.gz VLVYBGFGMZHGHI-UHFFFAOYSA-N 0 3 301.821 3.219 10 30 DGEEHN C=CCN[C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000353152788 277872748 /nfs/dbraw/zinc/87/27/48/277872748.db2.gz IQJLXTREKKQSKL-CQSZACIVSA-N 0 3 312.207 3.003 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000076735992 431561688 /nfs/dbraw/zinc/56/16/88/431561688.db2.gz SOEQPCXPOWGZMR-HNNXBMFYSA-N 0 3 313.445 3.113 10 30 DGEEHN C=CCCCN(C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000076734259 431562053 /nfs/dbraw/zinc/56/20/53/431562053.db2.gz WNLMSCTVKLNJAN-ZDUSSCGKSA-N 0 3 310.388 3.382 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000076733861 431562198 /nfs/dbraw/zinc/56/21/98/431562198.db2.gz FCPNJXJBTQBSNR-AWEZNQCLSA-N 0 3 318.417 3.073 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000076734441 431562870 /nfs/dbraw/zinc/56/28/70/431562870.db2.gz JPITZEMDSPEJEN-OAHLLOKOSA-N 0 3 317.408 3.359 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000122216278 280316403 /nfs/dbraw/zinc/31/64/03/280316403.db2.gz LZVXHMAJBNSFHU-MRXNPFEDSA-N 0 3 321.424 3.117 10 30 DGEEHN COc1cc(C#N)ccc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000121053788 431740234 /nfs/dbraw/zinc/74/02/34/431740234.db2.gz FRCBHWWAXXDNMF-GOSISDBHSA-N 0 3 314.429 3.490 10 30 DGEEHN C=C(C)COCCNCc1ccc(Br)c(F)c1 ZINC000119934485 431719793 /nfs/dbraw/zinc/71/97/93/431719793.db2.gz UXQJALNURGPBKJ-UHFFFAOYSA-N 0 3 302.187 3.271 10 30 DGEEHN C=CCOc1ccc(CN(CCC(N)=O)Cc2ccccc2)cc1 ZINC000122073837 431810772 /nfs/dbraw/zinc/81/07/72/431810772.db2.gz YWLZXAYFDVQFOW-UHFFFAOYSA-N 0 3 324.424 3.129 10 30 DGEEHN Cc1ccccc1OCCCNCc1cnc2ccc(C#N)cn12 ZINC000123659211 431870762 /nfs/dbraw/zinc/87/07/62/431870762.db2.gz GJHMHDFIUMJQJJ-UHFFFAOYSA-N 0 3 320.396 3.073 10 30 DGEEHN N#Cc1ccc2ncc(CN(C[C@H]3CCCO3)C3CCCC3)n2c1 ZINC000093665875 431916953 /nfs/dbraw/zinc/91/69/53/431916953.db2.gz ARAONUKHTYIONE-GOSISDBHSA-N 0 3 324.428 3.130 10 30 DGEEHN C[C@H](c1ccccc1)N1CCCN(c2ncccc2C#N)CC1 ZINC000098136867 431979090 /nfs/dbraw/zinc/97/90/90/431979090.db2.gz CDSDWUWRIRCWFV-MRXNPFEDSA-N 0 3 306.413 3.227 10 30 DGEEHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000151770211 432275817 /nfs/dbraw/zinc/27/58/17/432275817.db2.gz KVANLDNIZRZRPD-AWEZNQCLSA-N 0 3 324.380 3.059 10 30 DGEEHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000248880893 432325438 /nfs/dbraw/zinc/32/54/38/432325438.db2.gz DEXQGYPYZAAZDF-RHSMWYFYSA-N 0 3 321.428 3.425 10 30 DGEEHN C[C@H](c1cccc(C#N)c1)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000248894198 432327360 /nfs/dbraw/zinc/32/73/60/432327360.db2.gz GIVGHZQFVRKYFY-FSPWUOQZSA-N 0 3 312.438 3.389 10 30 DGEEHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000192680458 432399261 /nfs/dbraw/zinc/39/92/61/432399261.db2.gz HKRGENDFNRLEEE-OLZOCXBDSA-N 0 3 305.447 3.130 10 30 DGEEHN C=C(C)[C@@H](NC[C@@H](O)COCCCC)c1ccc(F)c(F)c1 ZINC000195219701 432612120 /nfs/dbraw/zinc/61/21/20/432612120.db2.gz CMQDATWUIGHLRF-RHSMWYFYSA-N 0 3 313.388 3.349 10 30 DGEEHN Cc1cc(C#N)ccc1CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000186309442 432581032 /nfs/dbraw/zinc/58/10/32/432581032.db2.gz JGXNBRKGZOHJJV-KRWDZBQOSA-N 0 3 321.428 3.173 10 30 DGEEHN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000186317810 432581256 /nfs/dbraw/zinc/58/12/56/432581256.db2.gz JBLBEKPKNNSXDU-AWEZNQCLSA-N 0 3 308.381 3.489 10 30 DGEEHN C=CC[C@@H](CO)N[C@H]1CCc2c1cc(Br)cc2F ZINC000273412458 432595869 /nfs/dbraw/zinc/59/58/69/432595869.db2.gz IAZYPYKOUJKWIP-HZMBPMFUSA-N 0 3 314.198 3.102 10 30 DGEEHN C=CCCCN(C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189360289 432781743 /nfs/dbraw/zinc/78/17/43/432781743.db2.gz LJUIIWSURKIANU-QGZVFWFLSA-N 0 3 322.399 3.354 10 30 DGEEHN C=CCOc1ccc(CNC[C@H]2CCC(C)(C)O2)cc1OC ZINC000189717042 432812816 /nfs/dbraw/zinc/81/28/16/432812816.db2.gz NIYVVKSSQRJJNA-OAHLLOKOSA-N 0 3 305.418 3.307 10 30 DGEEHN N#Cc1cccc(CN(C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245827396 432864546 /nfs/dbraw/zinc/86/45/46/432864546.db2.gz FUOZSBBJJYMIIV-DLBZAZTESA-N 0 3 302.443 3.045 10 30 DGEEHN C=C(C)CN1CCC(Nc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000268157744 432850774 /nfs/dbraw/zinc/85/07/74/432850774.db2.gz GLHCFFLHLHPHHH-UHFFFAOYSA-N 0 3 323.368 3.195 10 30 DGEEHN COc1ccc(C)cc1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000330251643 432900177 /nfs/dbraw/zinc/90/01/77/432900177.db2.gz HUZDEOUXYNMGSG-JDFRZJQESA-N 0 3 318.417 3.137 10 30 DGEEHN Cc1ccc([C@H](C)NC(=O)CN[C@@H]2CCO[C@@H]2C2CC2)cc1C ZINC000330259184 432901321 /nfs/dbraw/zinc/90/13/21/432901321.db2.gz NFRKUMNIWAGNHL-POZUXBRTSA-N 0 3 316.445 3.478 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453340848 433103835 /nfs/dbraw/zinc/10/38/35/433103835.db2.gz CQFRVAJNFGCVBN-UHOSZYNNSA-N 0 3 309.413 3.183 10 30 DGEEHN COc1cc(CN[C@@H](C)COCc2ccccc2)ccc1C#N ZINC000281750121 433369984 /nfs/dbraw/zinc/36/99/84/433369984.db2.gz QXQIIMWBZGUDLN-HNNXBMFYSA-N 0 3 310.397 3.262 10 30 DGEEHN C=CCc1cc(CN2CC[C@@]3(C2)CCCOC3)cc(OC)c1O ZINC000375300376 433418030 /nfs/dbraw/zinc/41/80/30/433418030.db2.gz AGVMPPLZZJOHNC-LJQANCHMSA-N 0 3 317.429 3.132 10 30 DGEEHN C=CCOc1ccccc1CN1CCC(c2ccncn2)CC1 ZINC000414468976 433632804 /nfs/dbraw/zinc/63/28/04/433632804.db2.gz HRHGEIZMCDBOJW-UHFFFAOYSA-N 0 3 309.413 3.421 10 30 DGEEHN C=C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000362368292 433663614 /nfs/dbraw/zinc/66/36/14/433663614.db2.gz ACRAJCUMKWLSCZ-GUTXKFCHSA-N 0 3 307.463 3.005 10 30 DGEEHN C[C@@H](NC[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000283190684 433685474 /nfs/dbraw/zinc/68/54/74/433685474.db2.gz KNSWNXILUVXMMU-UONOGXRCSA-N 0 3 317.433 3.464 10 30 DGEEHN Cc1cc(NCc2ccc(OCCN(C)C)cc2)c(C#N)c(C)n1 ZINC000301785387 433723280 /nfs/dbraw/zinc/72/32/80/433723280.db2.gz OTIQDNXRPYVYHU-UHFFFAOYSA-N 0 3 324.428 3.123 10 30 DGEEHN CC[C@@](C)(C#N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000285164939 433917922 /nfs/dbraw/zinc/91/79/22/433917922.db2.gz PUSPWTHTLICPAV-MJGOQNOKSA-N 0 3 313.445 3.097 10 30 DGEEHN C=CC[C@@H](CO)N[C@H]1CCc2sc(Br)cc21 ZINC000294012360 433964998 /nfs/dbraw/zinc/96/49/98/433964998.db2.gz DIJKTYLODIYQSA-WPRPVWTQSA-N 0 3 302.237 3.025 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)CC1 ZINC000378049967 434064615 /nfs/dbraw/zinc/06/46/15/434064615.db2.gz GVXSNZKVXRSBID-KRWDZBQOSA-N 0 3 317.477 3.001 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](N)[C@@H]1c1ccccc1OC ZINC000457357818 434120241 /nfs/dbraw/zinc/12/02/41/434120241.db2.gz BNPZCFIWRPXYOZ-HFTRVMKXSA-N 0 3 316.445 3.288 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H](C)c1cc(C)c(Br)s1 ZINC000286001764 434131644 /nfs/dbraw/zinc/13/16/44/434131644.db2.gz OWVDXDUXGSZBRA-UWVGGRQHSA-N 0 3 304.253 3.407 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)c1[nH]ccc1C1CC1)C(C)C ZINC000457550433 434232544 /nfs/dbraw/zinc/23/25/44/434232544.db2.gz CHNNJNFBFPZJPK-KRWDZBQOSA-N 0 3 315.461 3.321 10 30 DGEEHN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H]1CCCCN1C1CC1 ZINC000328775821 434309872 /nfs/dbraw/zinc/30/98/72/434309872.db2.gz IAFYTVGDLFIRLL-DZGCQCFKSA-N 0 3 307.438 3.249 10 30 DGEEHN C[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358580494 434397917 /nfs/dbraw/zinc/39/79/17/434397917.db2.gz XYFUVJMDMOUBSX-MLGOLLRUSA-N 0 3 316.351 3.091 10 30 DGEEHN C=CCOc1ccccc1CN1CC[C@](CO)(c2ccccc2)C1 ZINC000463029384 434941446 /nfs/dbraw/zinc/94/14/46/434941446.db2.gz OJBVZJSLIMFKPK-NRFANRHFSA-N 0 3 323.436 3.387 10 30 DGEEHN C=CCN1CC[C@H](N2CC[C@H](c3ccc(F)cc3)C2(C)C)C1=O ZINC000528743954 435027621 /nfs/dbraw/zinc/02/76/21/435027621.db2.gz IJGMXWWAFYDYKP-SJORKVTESA-N 0 3 316.420 3.181 10 30 DGEEHN C[C@@H](NCCOc1ccc(Cl)cn1)c1ccc(C#N)cc1F ZINC000512674162 435366689 /nfs/dbraw/zinc/36/66/89/435366689.db2.gz VFJISKFNUFQATB-LLVKDONJSA-N 0 3 319.767 3.475 10 30 DGEEHN C=CCOc1cccc(CN[C@H]2COc3ccc(F)cc3C2)c1 ZINC000568910870 435482082 /nfs/dbraw/zinc/48/20/82/435482082.db2.gz IPKHBRODBLEVLO-QGZVFWFLSA-N 0 3 313.372 3.484 10 30 DGEEHN C=CCCC[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000538364780 435495580 /nfs/dbraw/zinc/49/55/80/435495580.db2.gz JOHSYAOUTCMDSK-AEFFLSMTSA-N 0 3 317.477 3.203 10 30 DGEEHN CC1CCN([C@@H](CNc2ccncc2C#N)c2ccccc2)CC1 ZINC000548154526 435672989 /nfs/dbraw/zinc/67/29/89/435672989.db2.gz ZCNMBWKUSRKHNQ-FQEVSTJZSA-N 0 3 320.440 3.260 10 30 DGEEHN N#Cc1cnccc1Nc1ccc(CCN2CCSCC2)cc1 ZINC000548480131 314451449 /nfs/dbraw/zinc/45/14/49/314451449.db2.gz WIDDCYBQZCTMTO-UHFFFAOYSA-N 0 3 324.453 3.288 10 30 DGEEHN C=CCOc1ccc(CNC2(CC(=O)OC)CC2)cc1Cl ZINC000572771783 332784386 /nfs/dbraw/zinc/78/43/86/332784386.db2.gz UKKLHLQXXDETNS-UHFFFAOYSA-N 0 3 309.793 3.090 10 30 DGEEHN C=CC[C@H](CO)N[C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000186713874 332943739 /nfs/dbraw/zinc/94/37/39/332943739.db2.gz BRNZVZPXBMYORD-SWLSCSKDSA-N 0 3 319.836 3.422 10 30 DGEEHN C=CCOc1ccc(CN2CCCC[C@H]2CC(N)=O)cc1Cl ZINC000092588326 332134776 /nfs/dbraw/zinc/13/47/76/332134776.db2.gz ZWMXSSGACLXEEU-AWEZNQCLSA-N 0 3 322.836 3.135 10 30 DGEEHN C=CC[C@H](C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C)c1ccccc1 ZINC000188530174 333371721 /nfs/dbraw/zinc/37/17/21/333371721.db2.gz LQOMNSPZZUPOMN-SZMVWBNQSA-N 0 3 300.446 3.191 10 30 DGEEHN C=C(Cl)COc1ccc([C@H](C)NCCc2nc(C)no2)cc1 ZINC000089517838 337870331 /nfs/dbraw/zinc/87/03/31/337870331.db2.gz CGICXBSVEZSCFK-LBPRGKRZSA-N 0 3 321.808 3.403 10 30 DGEEHN C=C(C)CCN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000509312394 340266044 /nfs/dbraw/zinc/26/60/44/340266044.db2.gz CLRXONOOBBVGPZ-UHFFFAOYSA-N 0 3 308.853 3.303 10 30 DGEEHN CC#CCN1CCC(CCc2cc(OC)cc(OC)c2)CC1 ZINC000525120115 340690465 /nfs/dbraw/zinc/69/04/65/340690465.db2.gz VKFIEGOOQSHMGY-UHFFFAOYSA-N 0 3 301.430 3.372 10 30 DGEEHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1CC=CCC1 ZINC000542248778 341001909 /nfs/dbraw/zinc/00/19/09/341001909.db2.gz WQGZDCYUPTUBOS-HZPDHXFCSA-N 0 3 303.450 3.006 10 30 DGEEHN C=CCCC[C@@H](C)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000552808431 341404968 /nfs/dbraw/zinc/40/49/68/341404968.db2.gz AHNMXOMSFSGZGU-QGZVFWFLSA-N 0 3 300.446 3.118 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(Br)cn1 ZINC000564832180 341511043 /nfs/dbraw/zinc/51/10/43/341511043.db2.gz RXKVJYRUVBPOJQ-SUNKGSAMSA-N 0 3 311.223 3.086 10 30 DGEEHN C=CC[C@@H](CO)NCc1cnc(-c2c(F)cccc2F)s1 ZINC000449234531 534317685 /nfs/dbraw/zinc/31/76/85/534317685.db2.gz CIJMSRHUSVBJGV-JTQLQIEISA-N 0 3 310.369 3.115 10 30 DGEEHN C=CC[C@H](C)NC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000488921566 534336164 /nfs/dbraw/zinc/33/61/64/534336164.db2.gz ROIBBPSMBPSZQB-LPHOPBHVSA-N 0 3 315.461 3.305 10 30 DGEEHN C=CCCCN(C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000489422750 534710596 /nfs/dbraw/zinc/71/05/96/534710596.db2.gz MYYUMYUNYYMUFH-OAHLLOKOSA-N 0 3 310.800 3.482 10 30 DGEEHN C=CCN1CCC(NC(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000357856754 526446639 /nfs/dbraw/zinc/44/66/39/526446639.db2.gz FAINHLHWYWIIFG-UHFFFAOYSA-N 0 3 323.849 3.263 10 30 DGEEHN C=CCN1CC[C@@H](N[C@@H](c2ccc(Cl)cc2)C2CC2)C1=O ZINC000337168553 526483571 /nfs/dbraw/zinc/48/35/71/526483571.db2.gz BRUJZEOTWPABQY-HZPDHXFCSA-N 0 3 304.821 3.168 10 30 DGEEHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000337178213 526484765 /nfs/dbraw/zinc/48/47/65/526484765.db2.gz KKKYMBPEKIEEQR-HNAYVOBHSA-N 0 3 321.424 3.186 10 30 DGEEHN C=C(C)CN(CCc1ccnn1CC)Cc1cnn(C(C)C)c1 ZINC000352913929 526553989 /nfs/dbraw/zinc/55/39/89/526553989.db2.gz IPFYGPZRWCFRLE-UHFFFAOYSA-N 0 3 315.465 3.301 10 30 DGEEHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181313605 526625383 /nfs/dbraw/zinc/62/53/83/526625383.db2.gz OTAHLNADZMGFGD-LSDHHAIUSA-N 0 3 309.413 3.090 10 30 DGEEHN C#CCCOc1ccc(CN2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000180128442 526741704 /nfs/dbraw/zinc/74/17/04/526741704.db2.gz PQSMAWZYHWEAOU-IBGZPJMESA-N 0 3 323.440 3.258 10 30 DGEEHN C=CCOCCNCc1cn(C)nc1-c1cc2ccccc2o1 ZINC000360639724 526782196 /nfs/dbraw/zinc/78/21/96/526782196.db2.gz USUJXWNQENCYBC-UHFFFAOYSA-N 0 3 311.385 3.126 10 30 DGEEHN C=CCOc1ccccc1CNCC[C@@H](OC)C(F)(F)F ZINC000344803082 526948474 /nfs/dbraw/zinc/94/84/74/526948474.db2.gz AFDLTKLFQFXVCV-CQSZACIVSA-N 0 3 303.324 3.308 10 30 DGEEHN C=CCOc1ccccc1CNCC1(CO)CC2(CCC2)C1 ZINC000433207616 526949214 /nfs/dbraw/zinc/94/92/14/526949214.db2.gz LGRCFVPHMXOOJD-UHFFFAOYSA-N 0 3 301.430 3.284 10 30 DGEEHN C=CC[C@@H]1N(Cc2ccc(C(=O)OC)cn2)CCCC1(C)C ZINC000352405312 527119150 /nfs/dbraw/zinc/11/91/50/527119150.db2.gz HFDBNDJKWBRJEF-INIZCTEOSA-N 0 3 302.418 3.435 10 30 DGEEHN C=CC[C@H](C)[C@@H](C)NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000349147653 527139549 /nfs/dbraw/zinc/13/95/49/527139549.db2.gz IIVJSOZZYMAPSF-QWHCGFSZSA-N 0 3 302.418 3.436 10 30 DGEEHN C#CCN(C(=O)NCCN1[C@H](C)CCC[C@H]1C)C1CCCCC1 ZINC000730912245 574538386 /nfs/dbraw/zinc/53/83/86/574538386.db2.gz QPLQVOBAAOHXEW-IAGOWNOFSA-N 0 3 319.493 3.227 10 30 DGEEHN COc1ccc(CN[C@@H](C)c2ccc3c(c2)CCO3)cc1C#N ZINC000742368811 574992934 /nfs/dbraw/zinc/99/29/34/574992934.db2.gz OULUNDIXCFUGLR-ZDUSSCGKSA-N 0 3 308.381 3.353 10 30 DGEEHN N#CC(C(=O)C[C@H]1CCCc2ccccc21)C(=O)NC1CCCC1 ZINC000171777050 659297589 /nfs/dbraw/zinc/29/75/89/659297589.db2.gz GCOMUGTYJZICFX-CRAIPNDOSA-N 0 3 324.424 3.264 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000107914550 432041706 /nfs/dbraw/zinc/04/17/06/432041706.db2.gz FLPQDEVAIIRSOG-MRXNPFEDSA-N 0 3 310.397 3.107 10 30 DGEEHN N#Cc1cc(C(F)(F)F)ccc1N1CCCN(C2CC2)CC1 ZINC000176956997 283092309 /nfs/dbraw/zinc/09/23/09/283092309.db2.gz KPBOYZIJVUBFGI-UHFFFAOYSA-N 0 3 309.335 3.252 10 30 DGEEHN C=C(C)CN(CC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179463710 199039835 /nfs/dbraw/zinc/03/98/35/199039835.db2.gz OZMLKZDUBITLET-DLBZAZTESA-N 0 3 301.434 3.039 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000180198242 199129199 /nfs/dbraw/zinc/12/91/99/199129199.db2.gz ZSXLACOJPHWSIL-RBUKOAKNSA-N 0 3 319.408 3.042 10 30 DGEEHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000281216189 216159960 /nfs/dbraw/zinc/15/99/60/216159960.db2.gz KAUUKZOGGIOLET-JQHSSLGASA-N 0 3 302.393 3.213 10 30 DGEEHN C=CCCCC[C@H](C)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000449241172 240085395 /nfs/dbraw/zinc/08/53/95/240085395.db2.gz RSCNOYVODUJODE-DOTOQJQBSA-N 0 3 301.434 3.302 10 30 DGEEHN C=CCCCN1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000191578329 335001502 /nfs/dbraw/zinc/00/15/02/335001502.db2.gz WUWBUJUXRKFFTM-UHFFFAOYSA-N 0 3 308.447 3.465 10 30 DGEEHN C[C@@H]1CCN(Cc2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC000093811128 193312447 /nfs/dbraw/zinc/31/24/47/193312447.db2.gz VRRWRZPBFIYCON-MRXNPFEDSA-N 0 3 309.413 3.248 10 30 DGEEHN N#Cc1ccccc1O[C@H](CN)c1cccc(Br)c1 ZINC000043022804 183330940 /nfs/dbraw/zinc/33/09/40/183330940.db2.gz XSAAALJIYKSTSK-OAHLLOKOSA-N 0 3 317.186 3.400 10 30 DGEEHN CCCCCCCCCCCCCC[C@H](O)[C@@H](O)[C@H](N)CO ZINC000059066902 184134370 /nfs/dbraw/zinc/13/43/70/184134370.db2.gz AERBNCYCJBRYDG-SQNIBIBYSA-N 0 3 317.514 3.119 10 30 in-vitro DGEEHN C[C@@H](N)[C@H](c1ccc(Br)s1)N(C)[C@@H](C)CC#N ZINC000063085437 184269728 /nfs/dbraw/zinc/26/97/28/184269728.db2.gz BEXGOKALPRLFOW-YGOYTEALSA-N 0 3 316.268 3.133 10 30 DGEEHN C[C@]1(CNCc2ccc(C#N)o2)CCCN1Cc1ccccc1 ZINC000121797700 195349172 /nfs/dbraw/zinc/34/91/72/195349172.db2.gz QLRLOUFTKXURIG-LJQANCHMSA-N 0 3 309.413 3.296 10 30 DGEEHN C=C[C@@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617011932 400274117 /nfs/dbraw/zinc/27/41/17/400274117.db2.gz PJCFSUAVDKUBSF-RDJZCZTQSA-N 0 3 300.446 3.335 10 30 DGEEHN N#Cc1ccc(CNC2CCC(O)(C(F)(F)F)CC2)c(F)c1 ZINC000610812850 400310277 /nfs/dbraw/zinc/31/02/77/400310277.db2.gz WUNCKQPDGXXBER-UHFFFAOYSA-N 0 3 316.298 3.023 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000093869900 400260669 /nfs/dbraw/zinc/26/06/69/400260669.db2.gz OWDZEENNEDQVNW-QGZVFWFLSA-N 0 3 311.429 3.050 10 30 DGEEHN CN(C)Cc1ccc(/C=N/c2cc(F)cc3c2COC3=O)cc1 ZINC000117882061 400423086 /nfs/dbraw/zinc/42/30/86/400423086.db2.gz CLTMTUTWFWVIGR-AWQFTUOYSA-N 0 3 312.344 3.308 10 30 DGEEHN C=CC[C@@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000617785156 400454395 /nfs/dbraw/zinc/45/43/95/400454395.db2.gz FGHGMYKZZMLWPI-MRXNPFEDSA-N 0 3 316.445 3.055 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000076974265 400682652 /nfs/dbraw/zinc/68/26/52/400682652.db2.gz JHERJAFNDUIYHS-INIZCTEOSA-N 0 3 303.450 3.115 10 30 DGEEHN CN(CCC#N)C(=O)CCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000179701940 400879769 /nfs/dbraw/zinc/87/97/69/400879769.db2.gz NFFZYGONSVVCQV-KRWDZBQOSA-N 0 3 319.836 3.143 10 30 DGEEHN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000079846169 400900748 /nfs/dbraw/zinc/90/07/48/400900748.db2.gz ZBBMRXODCONXTJ-HNNXBMFYSA-N 0 3 301.434 3.223 10 30 DGEEHN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594424897 401062782 /nfs/dbraw/zinc/06/27/82/401062782.db2.gz DLKMBYOPOCCVTC-QAPCUYQASA-N 0 3 313.445 3.225 10 30 DGEEHN C=CCCOCCN[C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594500089 401081763 /nfs/dbraw/zinc/08/17/63/401081763.db2.gz HKWYMMGXSYAMAT-KRWDZBQOSA-N 0 3 303.402 3.033 10 30 DGEEHN C=CC[C@@H]1CCN(Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000625701118 401185338 /nfs/dbraw/zinc/18/53/38/401185338.db2.gz OOVOPWMTEARBDH-MRXNPFEDSA-N 0 3 300.446 3.470 10 30 DGEEHN C=CC[C@@H]1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2OC)C1 ZINC000625701409 401185407 /nfs/dbraw/zinc/18/54/07/401185407.db2.gz RDVYEXHVRMMTEZ-JKSUJKDBSA-N 0 3 316.445 3.113 10 30 DGEEHN C=CCCCCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625939217 401261220 /nfs/dbraw/zinc/26/12/20/401261220.db2.gz PEDRDXVTZBTLNJ-UHFFFAOYSA-N 0 3 303.406 3.037 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000627083771 401440720 /nfs/dbraw/zinc/44/07/20/401440720.db2.gz ZDTBZMLHPYMZQX-BEFAXECRSA-N 0 3 323.440 3.447 10 30 DGEEHN C=C(C)COc1cc(CN[C@H]2CO[C@H](C3CC3)C2)ccc1OC ZINC000623753012 401575828 /nfs/dbraw/zinc/57/58/28/401575828.db2.gz PWIHHAZKZDIZNM-AEFFLSMTSA-N 0 3 317.429 3.307 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000623814455 401582381 /nfs/dbraw/zinc/58/23/81/401582381.db2.gz GDICWDSLFGUJQU-BPQIPLTHSA-N 0 3 313.445 3.039 10 30 DGEEHN C=CCOCCCNCc1ccc(Br)c(F)c1F ZINC000623569729 401548147 /nfs/dbraw/zinc/54/81/47/401548147.db2.gz VCAUJQXPOGAQBU-UHFFFAOYSA-N 0 3 320.177 3.410 10 30 DGEEHN C=CC[C@@H](C(=O)NC[C@H]1CCN1C1CCCC1)c1ccccc1 ZINC000628964733 401651432 /nfs/dbraw/zinc/65/14/32/401651432.db2.gz GVVAHVFMSWECEV-RTBURBONSA-N 0 3 312.457 3.479 10 30 DGEEHN COc1ccc(C#N)cc1CN[C@@H](C)[C@H]1COc2ccccc21 ZINC000185623104 165010144 /nfs/dbraw/zinc/01/01/44/165010144.db2.gz QXOFFUIWUHORDM-SUMWQHHRSA-N 0 3 308.381 3.221 10 30 DGEEHN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(-n2ccnn2)cc1 ZINC000192162878 165285375 /nfs/dbraw/zinc/28/53/75/165285375.db2.gz RUHCMIPYHVHLSA-ZDUSSCGKSA-N 0 3 321.359 3.129 10 30 DGEEHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cccs1 ZINC000182546120 432202570 /nfs/dbraw/zinc/20/25/70/432202570.db2.gz XWILPKSWUZFINM-GFCCVEGCSA-N 0 3 302.399 3.358 10 30 DGEEHN N#Cc1ccc2ncc(CN[C@H]3CCCc4ccccc43)n2c1 ZINC000123138945 274927390 /nfs/dbraw/zinc/92/73/90/274927390.db2.gz VCUJCPZXOZBBME-SFHVURJKSA-N 0 3 302.381 3.373 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000076734437 431560833 /nfs/dbraw/zinc/56/08/33/431560833.db2.gz JPITZEMDSPEJEN-HNNXBMFYSA-N 0 3 317.408 3.359 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000076733863 431561737 /nfs/dbraw/zinc/56/17/37/431561737.db2.gz FCPNJXJBTQBSNR-CQSZACIVSA-N 0 3 318.417 3.073 10 30 DGEEHN C=CCCCN(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000076946669 431565307 /nfs/dbraw/zinc/56/53/07/431565307.db2.gz KSDYEWVKSRVDBK-UHFFFAOYSA-N 0 3 315.461 3.042 10 30 DGEEHN C=C(C)COc1cc(CN2CCC([C@H](C)O)CC2)ccc1OC ZINC000092971036 431911793 /nfs/dbraw/zinc/91/17/93/431911793.db2.gz ZQYZOXUSEQJWBR-HNNXBMFYSA-N 0 3 319.445 3.243 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248146582 432272246 /nfs/dbraw/zinc/27/22/46/432272246.db2.gz ZSXLACOJPHWSIL-OALUTQOASA-N 0 3 319.408 3.042 10 30 DGEEHN N#Cc1ccc2ncc(CNCc3ccc(C4CC4)cc3)n2c1 ZINC000191683028 432290866 /nfs/dbraw/zinc/29/08/66/432290866.db2.gz LCKSPRVYXRFSOQ-UHFFFAOYSA-N 0 3 302.381 3.373 10 30 DGEEHN CCCCOC[C@H](O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195160281 432608992 /nfs/dbraw/zinc/60/89/92/432608992.db2.gz RINAPKVOCJXDGZ-MAUKXSAKSA-N 0 3 304.434 3.119 10 30 DGEEHN C=C(C)[C@@H](NC[C@H](O)COCCCC)c1ccc(F)c(F)c1 ZINC000195219710 432611962 /nfs/dbraw/zinc/61/19/62/432611962.db2.gz CMQDATWUIGHLRF-WMLDXEAASA-N 0 3 313.388 3.349 10 30 DGEEHN C=CC[C@H](CO)N[C@@H]1CCc2c1cc(Br)cc2F ZINC000273412462 432594792 /nfs/dbraw/zinc/59/47/92/432594792.db2.gz IAZYPYKOUJKWIP-QMTHXVAHSA-N 0 3 314.198 3.102 10 30 DGEEHN C=CCNC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000156480894 432599074 /nfs/dbraw/zinc/59/90/74/432599074.db2.gz LQTRQHGQPNXJCT-RDJZCZTQSA-N 0 3 301.434 3.039 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000186699134 432624413 /nfs/dbraw/zinc/62/44/13/432624413.db2.gz NTXHWNOXOPCZCO-RDJZCZTQSA-N 0 3 313.445 3.385 10 30 DGEEHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000186712434 432625139 /nfs/dbraw/zinc/62/51/39/432625139.db2.gz HJXFCQXRLJJXEA-PWSUYJOCSA-N 0 3 314.223 3.045 10 30 DGEEHN C=C[C@@H](CC(=O)N[C@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000160247262 432712512 /nfs/dbraw/zinc/71/25/12/432712512.db2.gz DWROFNNPOSSKRN-FUHWJXTLSA-N 0 3 302.462 3.439 10 30 DGEEHN C=CCCCN(C)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000265671013 432721033 /nfs/dbraw/zinc/72/10/33/432721033.db2.gz ZMYMXIAYWQGMSK-UHFFFAOYSA-N 0 3 318.339 3.069 10 30 DGEEHN Cc1cccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2C2CC2)c1C ZINC000330267027 432900864 /nfs/dbraw/zinc/90/08/64/432900864.db2.gz QFURUEORXBLTSE-XKQJLSEDSA-N 0 3 302.418 3.437 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccccc1Cl ZINC000330268060 432901385 /nfs/dbraw/zinc/90/13/85/432901385.db2.gz QXXGEPKTIJRSBL-COLVAYQJSA-N 0 3 308.809 3.474 10 30 DGEEHN C(#Cc1ccccc1)CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000278826637 432906285 /nfs/dbraw/zinc/90/62/85/432906285.db2.gz HYUJWXQUWGAAIM-UHFFFAOYSA-N 0 3 319.452 3.451 10 30 DGEEHN C=CCC[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000375176914 433384661 /nfs/dbraw/zinc/38/46/61/433384661.db2.gz XYPLYAHCPNIVTR-GOSISDBHSA-N 0 3 313.445 3.184 10 30 DGEEHN C(#Cc1ccccc1)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000281957122 433441434 /nfs/dbraw/zinc/44/14/34/433441434.db2.gz FXZBLOPBRLMERZ-LJQANCHMSA-N 0 3 319.452 3.451 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(C)c2)CC1 ZINC000454530604 433466062 /nfs/dbraw/zinc/46/60/62/433466062.db2.gz BHSKOWYIXCBNOR-HNNXBMFYSA-N 0 3 301.434 3.006 10 30 DGEEHN Cc1cc(NCCCN2CCc3ccccc3C2)c(C#N)c(C)n1 ZINC000301751942 433706073 /nfs/dbraw/zinc/70/60/73/433706073.db2.gz BIHFKWWGEMGURD-UHFFFAOYSA-N 0 3 320.440 3.430 10 30 DGEEHN C[C@H](CN[C@@H](C)c1cccc(C#N)c1)N(C)C(=O)OC(C)(C)C ZINC000283355961 433710566 /nfs/dbraw/zinc/71/05/66/433710566.db2.gz MUDDAKPQBDIMHS-KGLIPLIRSA-N 0 3 317.433 3.464 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000449547471 433752058 /nfs/dbraw/zinc/75/20/58/433752058.db2.gz IFJOYPDZHVZLQF-CABCVRRESA-N 0 3 310.319 3.400 10 30 DGEEHN C=CCOc1ccc(CNC[C@@H]2NCCc3ccccc32)cc1 ZINC000414951381 433935465 /nfs/dbraw/zinc/93/54/65/433935465.db2.gz GQNNVKGEXDNIDK-FQEVSTJZSA-N 0 3 308.425 3.228 10 30 DGEEHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)Nc1ccccc1 ZINC000285100004 433918929 /nfs/dbraw/zinc/91/89/29/433918929.db2.gz LTKZOBPROUFCSN-APWZRJJASA-N 0 3 306.409 3.238 10 30 DGEEHN CN1CCC[C@H](CNC(=O)CC(C)(C)C#N)[C@H]1c1cccs1 ZINC000377461798 433885541 /nfs/dbraw/zinc/88/55/41/433885541.db2.gz BNCMIKUIRUGTRS-CJNGLKHVSA-N 0 3 319.474 3.187 10 30 DGEEHN C=CCC[C@H](O)CN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000305059916 434030441 /nfs/dbraw/zinc/03/04/41/434030441.db2.gz GGAHPCBESOPSCJ-YOEHRIQHSA-N 0 3 305.418 3.168 10 30 DGEEHN CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+][C@H]1CC=CCC1)C2 ZINC000329625601 434447249 /nfs/dbraw/zinc/44/72/49/434447249.db2.gz VGKDFQLYQZRAOB-KBPBESRZSA-N 0 3 316.449 3.108 10 30 DGEEHN C[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(C#N)cc1F ZINC000358574104 434400254 /nfs/dbraw/zinc/40/02/54/434400254.db2.gz ROKRLPDHCZGBDX-UKRRQHHQSA-N 0 3 310.376 3.022 10 30 DGEEHN C=CCN1CC[C@@H](N(C)[C@H](Cc2ccc(F)cc2)C(C)C)C1=O ZINC000410382865 434644768 /nfs/dbraw/zinc/64/47/68/434644768.db2.gz BSPUGXHXIOPOMH-QZTJIDSGSA-N 0 3 318.436 3.112 10 30 DGEEHN Cn1nccc1[C@H]1CCCCN1CCCC1(C#N)CCOCC1 ZINC000369615222 434599884 /nfs/dbraw/zinc/59/98/84/434599884.db2.gz KAFKOGISJAWQOV-QGZVFWFLSA-N 0 3 316.449 3.048 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1cc(F)ccc1Br ZINC000424178482 434646137 /nfs/dbraw/zinc/64/61/37/434646137.db2.gz WGVYUAKLSRBXAU-HZMBPMFUSA-N 0 3 314.198 3.269 10 30 DGEEHN C=CCN1CCC(N[C@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453101368 434800297 /nfs/dbraw/zinc/80/02/97/434800297.db2.gz NXVAYPUJECWOIV-MRXNPFEDSA-N 0 3 324.472 3.388 10 30 DGEEHN CC#CCCCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000464550953 434992668 /nfs/dbraw/zinc/99/26/68/434992668.db2.gz QNEMJJKNLANYKE-UHFFFAOYSA-N 0 3 312.457 3.482 10 30 DGEEHN C=C[C@H](CC(=O)N1CCc2ccccc2[C@H]1CN)c1ccccc1 ZINC000565040868 435275232 /nfs/dbraw/zinc/27/52/32/435275232.db2.gz PWXMRTWHGZBNTI-OXQOHEQNSA-N 0 3 320.436 3.431 10 30 DGEEHN C=CCn1c(SC[C@H](C)N(C)C)nnc1-c1ccc(C)cc1 ZINC000479111769 435320534 /nfs/dbraw/zinc/32/05/34/435320534.db2.gz YSBUALYHFIKVJE-AWEZNQCLSA-N 0 3 316.474 3.482 10 30 DGEEHN COc1ccc(OCCN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512653767 435362182 /nfs/dbraw/zinc/36/21/82/435362182.db2.gz GSBLTBZRBMMVNZ-CYBMUJFWSA-N 0 3 314.360 3.436 10 30 DGEEHN C=CCCC[C@H](C)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000539198958 435541341 /nfs/dbraw/zinc/54/13/41/435541341.db2.gz XVGWUIYPFWWLOT-HNNXBMFYSA-N 0 3 320.481 3.230 10 30 DGEEHN CN1CCC[C@H](CNC[C@@H](C#N)CCC#N)[C@@H]1c1cccs1 ZINC000572831301 435874203 /nfs/dbraw/zinc/87/42/03/435874203.db2.gz JTQLDOZUMWLVHH-BFYDXBDKSA-N 0 3 316.474 3.164 10 30 DGEEHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CC=CCC1 ZINC000543175539 314118568 /nfs/dbraw/zinc/11/85/68/314118568.db2.gz CTNVYWPUPJURIJ-CYBMUJFWSA-N 0 3 317.820 3.438 10 30 DGEEHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccc(C#N)cc1 ZINC000551425893 314561324 /nfs/dbraw/zinc/56/13/24/314561324.db2.gz PIILUJIVKWNDSR-BEFAXECRSA-N 0 3 322.408 3.068 10 30 DGEEHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000182304240 323292156 /nfs/dbraw/zinc/29/21/56/323292156.db2.gz XXHQFJLQLDPDAS-CYBMUJFWSA-N 0 3 310.353 3.017 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@H]1NCCc2ccccc21 ZINC000414956714 334209615 /nfs/dbraw/zinc/20/96/15/334209615.db2.gz OXSSBRPWHNXNIC-IBGZPJMESA-N 0 3 308.425 3.228 10 30 DGEEHN C#Cc1ccc(CN[C@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000368015930 336834712 /nfs/dbraw/zinc/83/47/12/336834712.db2.gz JNFSLPCDFXZIGI-INIZCTEOSA-N 0 3 311.816 3.085 10 30 DGEEHN C=CCCCCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000582794891 337168841 /nfs/dbraw/zinc/16/88/41/337168841.db2.gz SOGGBHVEJKWVIT-UHFFFAOYSA-N 0 3 303.450 3.294 10 30 DGEEHN N#C[C@@H]1CCC[C@H](N[C@H](CO)c2cccc(Br)c2)C1 ZINC000248876701 337568202 /nfs/dbraw/zinc/56/82/02/337568202.db2.gz RCTOOWYIMYGMAX-BYCMXARLSA-N 0 3 323.234 3.154 10 30 DGEEHN C=CCc1cc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc(OC)c1O ZINC000527804172 337764984 /nfs/dbraw/zinc/76/49/84/337764984.db2.gz NINAYEULXXXQKU-FJZAXULXSA-N 0 3 305.418 3.031 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1cccc(Br)c1F ZINC000424168327 337790714 /nfs/dbraw/zinc/79/07/14/337790714.db2.gz FKQSSMJBTHFKPP-GWCFXTLKSA-N 0 3 314.198 3.269 10 30 DGEEHN C=CCN1CC[C@@H](N2CCCC[C@H]2CCc2ccccc2)C1=O ZINC000499594412 340040180 /nfs/dbraw/zinc/04/01/80/340040180.db2.gz SVYYRSWQXATZSL-RBUKOAKNSA-N 0 3 312.457 3.261 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000516874308 340457639 /nfs/dbraw/zinc/45/76/39/340457639.db2.gz WYLJZJFRADEDBT-MRXNPFEDSA-N 0 3 323.440 3.486 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1)C(C)C ZINC000550713554 341321983 /nfs/dbraw/zinc/32/19/83/341321983.db2.gz DFSJSPMKEAOOSV-ZMMAXQRCSA-N 0 3 304.478 3.237 10 30 DGEEHN C=C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1CN)c1ccccc1 ZINC000565040869 341515626 /nfs/dbraw/zinc/51/56/26/341515626.db2.gz PWXMRTWHGZBNTI-UZLBHIALSA-N 0 3 320.436 3.431 10 30 DGEEHN CC[C@H](CC#N)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299993428 341728585 /nfs/dbraw/zinc/72/85/85/341728585.db2.gz XZUATLFVBIFMDR-SOUVJXGZSA-N 0 3 309.454 3.304 10 30 DGEEHN C[C@H](c1ccc(C#N)cc1)N1CCC(N(C)c2cccnn2)CC1 ZINC000118397974 500931737 /nfs/dbraw/zinc/93/17/37/500931737.db2.gz OAINVXBBWLQKBU-OAHLLOKOSA-N 0 3 321.428 3.010 10 30 DGEEHN C#CCOC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1C ZINC000036104453 518305140 /nfs/dbraw/zinc/30/51/40/518305140.db2.gz KAUKFOFVAXKEBC-NRFANRHFSA-N 0 3 323.436 3.008 10 30 DGEEHN Cc1nccn1C[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000154589922 534776970 /nfs/dbraw/zinc/77/69/70/534776970.db2.gz CAUROGUPCPBOQS-SFHVURJKSA-N 0 3 313.832 3.361 10 30 DGEEHN C=C(C)CCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000352423413 526456959 /nfs/dbraw/zinc/45/69/59/526456959.db2.gz XNEZKINDLIANLD-GOEBONIOSA-N 0 3 310.800 3.307 10 30 DGEEHN C=CCN1CC[C@H](N[C@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000337178211 526514781 /nfs/dbraw/zinc/51/47/81/526514781.db2.gz KKKYMBPEKIEEQR-BEFAXECRSA-N 0 3 321.424 3.186 10 30 DGEEHN C=C(C)CN1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000441218886 526607629 /nfs/dbraw/zinc/60/76/29/526607629.db2.gz UORFKOLKHUPYKI-LPHOPBHVSA-N 0 3 301.478 3.498 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000185392753 526703357 /nfs/dbraw/zinc/70/33/57/526703357.db2.gz ZCPDZXGOLSFSFI-MRXNPFEDSA-N 0 3 315.461 3.369 10 30 DGEEHN C=CCOc1ccc(CN2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000352383708 526866991 /nfs/dbraw/zinc/86/69/91/526866991.db2.gz MLFAACYMIUFBSG-QGZVFWFLSA-N 0 3 311.429 3.365 10 30 DGEEHN C=CCOc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1 ZINC000430150437 526869662 /nfs/dbraw/zinc/86/96/62/526869662.db2.gz RZSJZOYYAIUFOY-GOSISDBHSA-N 0 3 301.430 3.500 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](OCC)[C@]12CCCO2 ZINC000358570628 526952153 /nfs/dbraw/zinc/95/21/53/526952153.db2.gz NJITWUQPUOFKQT-QRVBRYPASA-N 0 3 317.429 3.068 10 30 DGEEHN C=CCSCCN[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000358024767 527004750 /nfs/dbraw/zinc/00/47/50/527004750.db2.gz MTQJNXYRLBXWOQ-GFCCVEGCSA-N 0 3 322.865 3.491 10 30 DGEEHN C=CC[C@@H](C)NC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000342098172 527026901 /nfs/dbraw/zinc/02/69/01/527026901.db2.gz DUOARFFNFVQVLF-SJLPKXTDSA-N 0 3 315.461 3.305 10 30 DGEEHN C=CCN(CC(F)(F)F)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000433322210 527586663 /nfs/dbraw/zinc/58/66/63/527586663.db2.gz XCQIVIMHRSZVNK-CQSZACIVSA-N 0 3 314.351 3.256 10 30 DGEEHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc2ccccc2c1 ZINC000181494520 528697197 /nfs/dbraw/zinc/69/71/97/528697197.db2.gz CXXCZRGDALDAID-HZPDHXFCSA-N 0 3 323.440 3.499 10 30 DGEEHN CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594426743 547031895 /nfs/dbraw/zinc/03/18/95/547031895.db2.gz RWNUJTHFNLDRLE-NVXWUHKLSA-N 0 3 301.434 3.225 10 30 DGEEHN C#Cc1cccc(NC(=S)NCCN2[C@H](C)CCC[C@H]2C)c1 ZINC000730731945 574534822 /nfs/dbraw/zinc/53/48/22/574534822.db2.gz SMUMKUFUUZNFMV-HUUCEWRRSA-N 0 3 315.486 3.217 10 30 DGEEHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCSC)cc1 ZINC000131013032 625932242 /nfs/dbraw/zinc/93/22/42/625932242.db2.gz DKAXPSGSJGYJAJ-CQSZACIVSA-N 0 3 304.415 3.040 10 30 DGEEHN CC(C)Cc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000156099870 661858199 /nfs/dbraw/zinc/85/81/99/661858199.db2.gz NCWDCPDIHLUXHO-RHSMWYFYSA-N 0 3 314.429 3.222 10 30 DGEEHN C[C@H](NCc1ccc(C2OCCO2)cc1)c1ccc(C#N)cc1 ZINC000405924884 1094456802 /nfs/dbraw/zinc/45/68/02/1094456802.db2.gz DPZPGYSWQRQRPN-AWEZNQCLSA-N 0 3 308.381 3.454 10 30 DGEEHN COc1ccccc1N1CC[C@@H](N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000181890716 199364251 /nfs/dbraw/zinc/36/42/51/199364251.db2.gz ZPMGEBGMJWNNNW-MAUKXSAKSA-N 0 3 321.424 3.496 10 30 DGEEHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000294194107 283058781 /nfs/dbraw/zinc/05/87/81/283058781.db2.gz RDRFENQUSOBWLJ-WOPDTQHZSA-N 0 3 312.339 3.300 10 30 DGEEHN N#Cc1cccc(CN(C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245827402 283205762 /nfs/dbraw/zinc/20/57/62/283205762.db2.gz FUOZSBBJJYMIIV-IRXDYDNUSA-N 0 3 302.443 3.045 10 30 DGEEHN CCCN(Cc1ccc(OC)c(C#N)c1)C[C@H]1CCCCO1 ZINC000135185422 432103731 /nfs/dbraw/zinc/10/37/31/432103731.db2.gz HHBXROQYOPQCJS-QGZVFWFLSA-N 0 3 302.418 3.348 10 30 DGEEHN C=CCOc1ccc(CNC2(C(=O)N(C)C)CCCCC2)cc1 ZINC000449456335 240216323 /nfs/dbraw/zinc/21/63/23/240216323.db2.gz FFMYACSKFGPDFS-UHFFFAOYSA-N 0 3 316.445 3.132 10 30 DGEEHN C=C(C)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000455309597 242164463 /nfs/dbraw/zinc/16/44/63/242164463.db2.gz LIIGSURRBHXMJD-GDBMZVCRSA-N 0 3 321.490 3.396 10 30 DGEEHN CN(C(=O)c1sccc1C#N)C(C)(C)CN1CCCCCC1 ZINC000494069989 246110680 /nfs/dbraw/zinc/11/06/80/246110680.db2.gz TWECFSFQHZKERZ-UHFFFAOYSA-N 0 3 319.474 3.346 10 30 DGEEHN N#Cc1cccc(O[C@@H](CN)c2cccc(Br)c2)c1 ZINC000043023209 183330779 /nfs/dbraw/zinc/33/07/79/183330779.db2.gz MBSLCWNRUKKSAR-HNNXBMFYSA-N 0 3 317.186 3.400 10 30 DGEEHN CCc1nccn1[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000106212185 194189648 /nfs/dbraw/zinc/18/96/48/194189648.db2.gz OYWOVEIIYDYGII-QGZVFWFLSA-N 0 3 324.428 3.033 10 30 DGEEHN CCc1nccn1[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000106212187 194189990 /nfs/dbraw/zinc/18/99/90/194189990.db2.gz OYWOVEIIYDYGII-KRWDZBQOSA-N 0 3 324.428 3.033 10 30 DGEEHN CCCCOC[C@H](O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000248656428 285015117 /nfs/dbraw/zinc/01/51/17/285015117.db2.gz RINAPKVOCJXDGZ-CRAIPNDOSA-N 0 3 304.434 3.119 10 30 DGEEHN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000182610863 533369256 /nfs/dbraw/zinc/36/92/56/533369256.db2.gz XUWHXTZBXYTURH-OAHLLOKOSA-N 0 3 315.461 3.397 10 30 DGEEHN CN1CC[C@@H](CNC(=O)CCc2ccccn2)[C@@H]1c1cccnc1 ZINC000328621249 400182475 /nfs/dbraw/zinc/18/24/75/400182475.db2.gz HPSWBZPKBFOLBZ-LPHOPBHVSA-N 0 3 324.428 3.059 10 30 DGEEHN C=CCN1CCC(Nc2cc(CC)nc(-c3ccccn3)n2)CC1 ZINC000068702531 400280353 /nfs/dbraw/zinc/28/03/53/400280353.db2.gz ALAYABABWVQTOC-UHFFFAOYSA-N 0 3 323.444 3.163 10 30 DGEEHN C=CCOCCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000611543930 400418616 /nfs/dbraw/zinc/41/86/16/400418616.db2.gz PFNKHCAYFPOUGN-UHFFFAOYSA-N 0 3 322.408 3.429 10 30 DGEEHN C=CCN(CCC[C@@H]1CCOC1)Cc1cccc([N+](=O)[O-])c1 ZINC000592065135 400602042 /nfs/dbraw/zinc/60/20/42/400602042.db2.gz NQOXMPNNIIBPCP-OAHLLOKOSA-N 0 3 304.390 3.400 10 30 DGEEHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000076574487 400662113 /nfs/dbraw/zinc/66/21/13/400662113.db2.gz FOMHADWWZOFUKW-HOTGVXAUSA-N 0 3 315.461 3.469 10 30 DGEEHN CN(C)Cc1cccc([C@H]2CCc3cc(C(=O)NO)ccc3C2)c1 ZINC000166083626 400754165 /nfs/dbraw/zinc/75/41/65/400754165.db2.gz IVSIETOYCFQVOE-INIZCTEOSA-N 0 3 324.424 3.140 10 30 DGEEHN Cc1csc(C(C#N)C(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000179829365 400881032 /nfs/dbraw/zinc/88/10/32/400881032.db2.gz SYKIHNLYONFFTQ-CQSZACIVSA-N 0 3 307.378 3.497 10 30 DGEEHN C=CCCCN(C)CC(=O)NCCSc1ccc(C)cc1 ZINC000605738781 400885031 /nfs/dbraw/zinc/88/50/31/400885031.db2.gz VJEARZKTYAWMRW-UHFFFAOYSA-N 0 3 306.475 3.101 10 30 DGEEHN C=C1CC(C)(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)C1 ZINC000633407309 400938566 /nfs/dbraw/zinc/93/85/66/400938566.db2.gz PMFFXQHSMPQRHY-UHFFFAOYSA-N 0 3 306.381 3.061 10 30 DGEEHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1OCc1ccccc1 ZINC000593919529 400920392 /nfs/dbraw/zinc/92/03/92/400920392.db2.gz TZTYQCGXLHLSIF-MRXNPFEDSA-N 0 3 323.396 3.225 10 30 DGEEHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000620312984 401053362 /nfs/dbraw/zinc/05/33/62/401053362.db2.gz SAIYANLLSVAQJM-CEXWTWQISA-N 0 3 310.441 3.361 10 30 DGEEHN C=CCC1(NCc2cc(-c3cnn(C)c3)no2)CCCCC1 ZINC000625934871 401259380 /nfs/dbraw/zinc/25/93/80/401259380.db2.gz DKYOLZUEFRPHQM-UHFFFAOYSA-N 0 3 300.406 3.444 10 30 DGEEHN C=C1CC(C)(C(=O)N(CC)Cc2ccc(CN(C)C)cc2)C1 ZINC000630904247 401351038 /nfs/dbraw/zinc/35/10/38/401351038.db2.gz JNYKXQKALCCMDT-UHFFFAOYSA-N 0 3 300.446 3.453 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000626527125 401370316 /nfs/dbraw/zinc/37/03/16/401370316.db2.gz MZJXHIPRHSCUGC-OAHLLOKOSA-N 0 3 301.434 3.221 10 30 DGEEHN C=C1CC(C)(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000631563440 401497839 /nfs/dbraw/zinc/49/78/39/401497839.db2.gz VIKLHEXBSDHYMZ-KRWDZBQOSA-N 0 3 312.457 3.466 10 30 DGEEHN C=CC[C@@H]1CCN(C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000628406124 401592222 /nfs/dbraw/zinc/59/22/22/401592222.db2.gz CKQITKJUFBGYGE-HUUCEWRRSA-N 0 3 307.459 3.092 10 30 DGEEHN C[C@H](NCCn1cnc2ccccc21)c1ccc(C#N)cc1F ZINC000358445894 267183322 /nfs/dbraw/zinc/18/33/22/267183322.db2.gz OGIJRVGMRCNMKV-ZDUSSCGKSA-N 0 3 308.360 3.398 10 30 DGEEHN N#Cc1ccncc1NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000354558553 268300713 /nfs/dbraw/zinc/30/07/13/268300713.db2.gz HSDCELOZRUGOCD-SFHVURJKSA-N 0 3 306.413 3.420 10 30 DGEEHN C=CC12CCN(CC1)[C@@H]([C@@H](O)c1ccnc3ccc(OC)cc31)C2 ZINC000000345728 431168405 /nfs/dbraw/zinc/16/84/05/431168405.db2.gz FNBBFRCDCVFRON-MOPGFXCFSA-N 0 3 324.424 3.317 10 30 DGEEHN C[C@@H](N[C@@H](C)c1ccc(C(C)(C)C)cc1)C(=O)N(C)CCC#N ZINC000112532011 431281419 /nfs/dbraw/zinc/28/14/19/431281419.db2.gz XNFMGBNQTLBIOK-LSDHHAIUSA-N 0 3 315.461 3.395 10 30 DGEEHN C[C@@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)C(=O)N(C)CCC#N ZINC000112532012 431283115 /nfs/dbraw/zinc/28/31/15/431283115.db2.gz XNFMGBNQTLBIOK-HUUCEWRRSA-N 0 3 315.461 3.395 10 30 DGEEHN C#CCCOc1ccc(CN[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000113315824 431341051 /nfs/dbraw/zinc/34/10/51/431341051.db2.gz UXHOXWXITLUQPE-NRFANRHFSA-N 0 3 322.452 3.481 10 30 DGEEHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2c2ccco2)cc1 ZINC000116288784 431498480 /nfs/dbraw/zinc/49/84/80/431498480.db2.gz XYKUSMQIHWGPRO-INIZCTEOSA-N 0 3 309.369 3.317 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000078544992 431681032 /nfs/dbraw/zinc/68/10/32/431681032.db2.gz LVVFRANQQYHUMJ-HNNXBMFYSA-N 0 3 301.434 3.006 10 30 DGEEHN CCc1nccn1[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000122929070 431849028 /nfs/dbraw/zinc/84/90/28/431849028.db2.gz MPZWGKUFYYTMEH-ZDUSSCGKSA-N 0 3 300.431 3.216 10 30 DGEEHN CN1CC[C@@H](NCc2ccc(C#N)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000125452203 431925749 /nfs/dbraw/zinc/92/57/49/431925749.db2.gz QEQMIFLLHIKCDQ-SJORKVTESA-N 0 3 315.804 3.340 10 30 DGEEHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)cc1C ZINC000128203255 431989475 /nfs/dbraw/zinc/98/94/75/431989475.db2.gz ISEQGCJNFMRFHV-UHFFFAOYSA-N 0 3 307.397 3.489 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248146580 432272495 /nfs/dbraw/zinc/27/24/95/432272495.db2.gz ZSXLACOJPHWSIL-MOPGFXCFSA-N 0 3 319.408 3.042 10 30 DGEEHN C=C(C)CN(CC)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248059867 432265612 /nfs/dbraw/zinc/26/56/12/432265612.db2.gz OZMLKZDUBITLET-IRXDYDNUSA-N 0 3 301.434 3.039 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000191956057 432318768 /nfs/dbraw/zinc/31/87/68/432318768.db2.gz YOHBAFLZMCXXSO-INIZCTEOSA-N 0 3 318.461 3.188 10 30 DGEEHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248639279 432309559 /nfs/dbraw/zinc/30/95/59/432309559.db2.gz WQWMNUDDAVMGJQ-PKOBYXMFSA-N 0 3 312.457 3.349 10 30 DGEEHN C(#Cc1ccccc1)CN1CCCN(Cc2ccccc2)CC1 ZINC000191900135 432313207 /nfs/dbraw/zinc/31/32/07/432313207.db2.gz HGHBFEWWZZJHNG-UHFFFAOYSA-N 0 3 304.437 3.246 10 30 DGEEHN C=C[C@H](CC(=O)NCCN1CCCC[C@H]1C)c1ccccc1 ZINC000153676192 432431340 /nfs/dbraw/zinc/43/13/40/432431340.db2.gz ABNMOKYNDOGEMF-IAGOWNOFSA-N 0 3 300.446 3.337 10 30 DGEEHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000192867481 432423725 /nfs/dbraw/zinc/42/37/25/432423725.db2.gz RHSHPHAUQQZKBS-SNVBAGLBSA-N 0 3 305.428 3.361 10 30 DGEEHN C[C@H](CCN1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000193650877 432488436 /nfs/dbraw/zinc/48/84/36/432488436.db2.gz XJUXBFZSXJSJPF-QGZVFWFLSA-N 0 3 320.440 3.269 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000185570990 432511000 /nfs/dbraw/zinc/51/10/00/432511000.db2.gz AYCPBGFHGCBFLB-FUHWJXTLSA-N 0 3 300.446 3.370 10 30 DGEEHN N#C[C@H]1CCC[C@H](NCc2ccc(N3CCCCC3=O)cc2)C1 ZINC000185794527 432533245 /nfs/dbraw/zinc/53/32/45/432533245.db2.gz KYWCFXDPBPDPCF-IRXDYDNUSA-N 0 3 311.429 3.375 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H]1CCc2c1cc(Br)cc2F ZINC000273412460 432595889 /nfs/dbraw/zinc/59/58/89/432595889.db2.gz IAZYPYKOUJKWIP-IINYFYTJSA-N 0 3 314.198 3.102 10 30 DGEEHN C=CC[C@H](CO)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000186695949 432622823 /nfs/dbraw/zinc/62/28/23/432622823.db2.gz WSAKFGNVNPOSBG-MWLCHTKSSA-N 0 3 302.187 3.176 10 30 DGEEHN C=CC[C@H](CO)N[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000186709744 432623906 /nfs/dbraw/zinc/62/39/06/432623906.db2.gz AAYZWWUWMQEIJF-RISCZKNCSA-N 0 3 301.308 3.099 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000186709695 432624494 /nfs/dbraw/zinc/62/44/94/432624494.db2.gz AAYZWWUWMQEIJF-SMDDNHRTSA-N 0 3 301.308 3.099 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160022457 432704653 /nfs/dbraw/zinc/70/46/53/432704653.db2.gz AORWMRQMIXZXBM-SJLPKXTDSA-N 0 3 315.461 3.257 10 30 DGEEHN C=C[C@@H](CC(=O)N[C@@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000160247123 432711475 /nfs/dbraw/zinc/71/14/75/432711475.db2.gz DWROFNNPOSSKRN-WMZOPIPTSA-N 0 3 302.462 3.439 10 30 DGEEHN C=CC[C@H](C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000188225093 432713170 /nfs/dbraw/zinc/71/31/70/432713170.db2.gz UYPRYXQTSFBOIN-NXHRZFHOSA-N 0 3 300.446 3.287 10 30 DGEEHN C=C(C)[C@H](NC[C@H](O)COC(C)(C)C)c1ccc(F)c(F)c1 ZINC000187757259 432683332 /nfs/dbraw/zinc/68/33/32/432683332.db2.gz QYZOCEAMLGNXAX-BBRMVZONSA-N 0 3 313.388 3.348 10 30 DGEEHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178659143 432763855 /nfs/dbraw/zinc/76/38/55/432763855.db2.gz ZPKZGRDDUDFNSG-CYBMUJFWSA-N 0 3 311.341 3.196 10 30 DGEEHN C=CC[C@H](CO)N[C@H](C)c1ccc(Br)cc1F ZINC000188457663 432727557 /nfs/dbraw/zinc/72/75/57/432727557.db2.gz CCNLCNPVPITVSG-MWLCHTKSSA-N 0 3 302.187 3.176 10 30 DGEEHN O[C@]12CCCC[C@@H]1CN(CC#Cc1ccc(Cl)cc1)CC2 ZINC000160583056 432729803 /nfs/dbraw/zinc/72/98/03/432729803.db2.gz XGIGOGZCNRTDIX-AEFFLSMTSA-N 0 3 303.833 3.319 10 30 DGEEHN O[C@@]12CCCC[C@@H]1CN(CC#Cc1ccc(Cl)cc1)CC2 ZINC000160582934 432729838 /nfs/dbraw/zinc/72/98/38/432729838.db2.gz XGIGOGZCNRTDIX-SJLPKXTDSA-N 0 3 303.833 3.319 10 30 DGEEHN C=CCCCN1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000189526552 432796196 /nfs/dbraw/zinc/79/61/96/432796196.db2.gz GORHXPNVWMIICI-UHFFFAOYSA-N 0 3 302.447 3.088 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccccc1Cl ZINC000330268066 432900772 /nfs/dbraw/zinc/90/07/72/432900772.db2.gz QXXGEPKTIJRSBL-LKTVYLICSA-N 0 3 308.809 3.474 10 30 DGEEHN C=CCN1CCC(NC(=O)Nc2ccc3cnccc3c2)CC1 ZINC000297086746 432956243 /nfs/dbraw/zinc/95/62/43/432956243.db2.gz YXMAMYKQEHLIHF-UHFFFAOYSA-N 0 3 310.401 3.007 10 30 DGEEHN C[C@@H](NCCN1CCCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000447576810 433234264 /nfs/dbraw/zinc/23/42/64/433234264.db2.gz CKLUTSGMIQYXBU-CQSZACIVSA-N 0 3 303.425 3.470 10 30 DGEEHN CC[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447584893 433236243 /nfs/dbraw/zinc/23/62/43/433236243.db2.gz HIDNGAKWVQLNDZ-RTBURBONSA-N 0 3 319.408 3.404 10 30 DGEEHN C=CCCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000448032556 433355752 /nfs/dbraw/zinc/35/57/52/433355752.db2.gz VXUPVUBTLBJLKN-QGZVFWFLSA-N 0 3 301.434 3.089 10 30 DGEEHN C=CCCCNCc1cn(-c2ccccc2)nc1C(=O)OCC ZINC000448369603 433396444 /nfs/dbraw/zinc/39/64/44/433396444.db2.gz AJFUNLCQOIQNBB-UHFFFAOYSA-N 0 3 313.401 3.105 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NCC2(C3CCC3)CCC2)CC1 ZINC000454471871 433441521 /nfs/dbraw/zinc/44/15/21/433441521.db2.gz ZWTOOFORVLSLFS-UHFFFAOYSA-N 0 3 319.493 3.297 10 30 DGEEHN Cn1c(C#N)ccc1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000448702791 433503873 /nfs/dbraw/zinc/50/38/73/433503873.db2.gz VHMVXGZLLYEIMB-UHFFFAOYSA-N 0 3 322.412 3.135 10 30 DGEEHN C=C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000362368293 433663749 /nfs/dbraw/zinc/66/37/49/433663749.db2.gz ACRAJCUMKWLSCZ-GZBFAFLISA-N 0 3 307.463 3.005 10 30 DGEEHN C#CCC(C)(C)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000376956282 433841929 /nfs/dbraw/zinc/84/19/29/433841929.db2.gz RHOISSSKXYIBKQ-KRWDZBQOSA-N 0 3 312.457 3.159 10 30 DGEEHN C=CCC[C@@H](O)CN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000305059913 434029266 /nfs/dbraw/zinc/02/92/66/434029266.db2.gz GGAHPCBESOPSCJ-PBHICJAKSA-N 0 3 305.418 3.168 10 30 DGEEHN CN(Cc1ccccc1)CC(C)(C)NCc1nc(C#N)cs1 ZINC000352831460 434056375 /nfs/dbraw/zinc/05/63/75/434056375.db2.gz CWIGTHGVWMFRCE-UHFFFAOYSA-N 0 3 314.458 3.015 10 30 DGEEHN C=CC[C@H](CO)N[C@H](C)c1cc(C)c(Br)s1 ZINC000286001759 434130776 /nfs/dbraw/zinc/13/07/76/434130776.db2.gz OWVDXDUXGSZBRA-NXEZZACHSA-N 0 3 304.253 3.407 10 30 DGEEHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000328830122 434316410 /nfs/dbraw/zinc/31/64/10/434316410.db2.gz KKNMMNLQXBIRAE-DJIMGWMZSA-N 0 3 321.428 3.343 10 30 DGEEHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)NCC1CCCCC1 ZINC000328909023 434328839 /nfs/dbraw/zinc/32/88/39/434328839.db2.gz MMRYTPOVLYJIIA-MJEQTWJJSA-N 0 3 321.465 3.399 10 30 DGEEHN C=CC[C@@H](CO)N[C@H]1CCc2c1ccc(F)c2Br ZINC000295440816 434363987 /nfs/dbraw/zinc/36/39/87/434363987.db2.gz PLFWTNXSDNBFFP-ZANVPECISA-N 0 3 314.198 3.102 10 30 DGEEHN CC[S@](=O)[C@@H]1CCC[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358560631 434394764 /nfs/dbraw/zinc/39/47/64/434394764.db2.gz FKNYPKLQLMNYAD-TXUQDUFDSA-N 0 3 322.449 3.428 10 30 DGEEHN Cn1cc2c(n1)CCC[C@@H]2NCc1cccc(OCCCC#N)c1 ZINC000366973772 434532250 /nfs/dbraw/zinc/53/22/50/434532250.db2.gz BXVCNOPPGIJHMY-SFHVURJKSA-N 0 3 324.428 3.270 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)CC1 ZINC000368084843 434565679 /nfs/dbraw/zinc/56/56/79/434565679.db2.gz HXFLIONPNVDLOJ-APWZRJJASA-N 0 3 319.493 3.249 10 30 DGEEHN C#Cc1ccc(CN2CC[C@H](OCc3c(C)noc3C)C2)cc1 ZINC000370730477 434618463 /nfs/dbraw/zinc/61/84/63/434618463.db2.gz OJWSHXQDSDFRMT-SFHVURJKSA-N 0 3 310.397 3.064 10 30 DGEEHN C=CCN1CC[C@H](N(C)[C@H](c2ccccc2C)C(C)C)C1=O ZINC000410394065 434645367 /nfs/dbraw/zinc/64/53/67/434645367.db2.gz TZPPBDMUKKUOPA-ROUUACIJSA-N 0 3 300.446 3.411 10 30 DGEEHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCCCCC2)cc1 ZINC000452792894 434716928 /nfs/dbraw/zinc/71/69/28/434716928.db2.gz MGWCWVFNYQZNFF-SFHVURJKSA-N 0 3 309.413 3.327 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1ccsc1Br ZINC000527719645 435014048 /nfs/dbraw/zinc/01/40/48/435014048.db2.gz IOLDBRDHWJZENL-ONGXEEELSA-N 0 3 302.237 3.191 10 30 DGEEHN C=CCOc1ccc(CNC[C@H]2c3ccccc3C(=O)N2C)cc1 ZINC000527806056 435015793 /nfs/dbraw/zinc/01/57/93/435015793.db2.gz KSMOATPUHKJRMB-IBGZPJMESA-N 0 3 322.408 3.168 10 30 DGEEHN C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000466321866 435072269 /nfs/dbraw/zinc/07/22/69/435072269.db2.gz AQDMEOZDZYXFDF-ROUUACIJSA-N 0 3 315.461 3.257 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)CC1 ZINC000473817729 435143261 /nfs/dbraw/zinc/14/32/61/435143261.db2.gz AVAGMTAIJOHBMK-OAGGEKHMSA-N 0 3 307.482 3.103 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000565854519 435283115 /nfs/dbraw/zinc/28/31/15/435283115.db2.gz OERKVLOFBATTBQ-LZLYRXPVSA-N 0 3 300.446 3.368 10 30 DGEEHN C=CCn1c(SC[C@@H](C)N(C)C)nnc1-c1ccccc1F ZINC000479193791 435322093 /nfs/dbraw/zinc/32/20/93/435322093.db2.gz MECCTSYWGUWWNN-GFCCVEGCSA-N 0 3 320.437 3.312 10 30 DGEEHN C=CCN(C[C@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000536742411 435408582 /nfs/dbraw/zinc/40/85/82/435408582.db2.gz KHKAZPZBLCARKJ-LBPRGKRZSA-N 0 3 316.228 3.384 10 30 DGEEHN C=CCCCN(C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000537517785 435445991 /nfs/dbraw/zinc/44/59/91/435445991.db2.gz UBOFPJAULHOXRJ-OAHLLOKOSA-N 0 3 310.800 3.482 10 30 DGEEHN C=CCc1cc(CN[C@H]2CCc3cc(N)ccc32)cc(OC)c1O ZINC000569825429 332683985 /nfs/dbraw/zinc/68/39/85/332683985.db2.gz QGXOSPHWNXLAGE-SFHVURJKSA-N 0 3 324.424 3.489 10 30 DGEEHN CCCCCCCCCNC(=O)[C@H](N)Cc1ccc(OC)cc1 ZINC000584595902 337374017 /nfs/dbraw/zinc/37/40/17/337374017.db2.gz JSYWHBXTAMKDPF-GOSISDBHSA-N 0 3 320.477 3.432 10 30 DGEEHN C=CCOc1ccccc1CN1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000499255736 340033510 /nfs/dbraw/zinc/03/35/10/340033510.db2.gz ZEFOQCXLAXHWBI-SJORKVTESA-N 0 3 303.446 3.480 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(C)c(F)c2)CC1 ZINC000087116306 340454606 /nfs/dbraw/zinc/45/46/06/340454606.db2.gz GESGEZKWOJFSGP-CQSZACIVSA-N 0 3 319.424 3.145 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000185307542 340499868 /nfs/dbraw/zinc/49/98/68/340499868.db2.gz UCLVALNPBGKIKT-AWEZNQCLSA-N 0 3 324.415 3.457 10 30 DGEEHN C=CC[C@@H](C(=O)N(C)C[C@H]1CCCN1CC)c1ccccc1 ZINC000249130051 341394430 /nfs/dbraw/zinc/39/44/30/341394430.db2.gz DHVSMGLSQDURRP-QZTJIDSGSA-N 0 3 300.446 3.289 10 30 DGEEHN C=CCC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036095533 518718470 /nfs/dbraw/zinc/71/84/70/518718470.db2.gz FUVAGZZUMKRDJG-MSOLQXFVSA-N 0 3 307.409 3.134 10 30 DGEEHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000318446084 534784883 /nfs/dbraw/zinc/78/48/83/534784883.db2.gz OWZQPKJOGIRRQU-CGTJXYLNSA-N 0 3 302.393 3.213 10 30 DGEEHN C=CCN1CCC(NC(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000184181337 526435190 /nfs/dbraw/zinc/43/51/90/526435190.db2.gz UPWSWHCITJXDJH-UHFFFAOYSA-N 0 3 323.387 3.074 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000431633281 526598166 /nfs/dbraw/zinc/59/81/66/526598166.db2.gz BQUHMXCANNNLCA-KFKAGJAMSA-N 0 3 312.457 3.193 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000341483283 526705089 /nfs/dbraw/zinc/70/50/89/526705089.db2.gz KBDYQNXKSCBCAO-FUHWJXTLSA-N 0 3 300.446 3.322 10 30 DGEEHN C=C(C)[C@H](N[C@@H](CC)Cn1cncn1)c1ccc(F)c(F)c1 ZINC000340502635 526821992 /nfs/dbraw/zinc/82/19/92/526821992.db2.gz MCHIKOWNXFGVAB-BBRMVZONSA-N 0 3 306.360 3.242 10 30 DGEEHN C=CCOc1ccccc1CN(C)C1CCC(NC(C)=O)CC1 ZINC000346284114 526929808 /nfs/dbraw/zinc/92/98/08/526929808.db2.gz YWWPFYKSXDUEBC-UHFFFAOYSA-N 0 3 316.445 3.131 10 30 DGEEHN C=CC[C@@H](CO)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000351574785 527102649 /nfs/dbraw/zinc/10/26/49/527102649.db2.gz PRQJVERAHSIDFQ-IBGZPJMESA-N 0 3 322.408 3.164 10 30 DGEEHN C=CCCOCCN[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358964225 527368184 /nfs/dbraw/zinc/36/81/84/527368184.db2.gz KFRZXTUQMJBYMK-GOSISDBHSA-N 0 3 311.429 3.432 10 30 DGEEHN C=C[C@@H](C)NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000128335126 527406698 /nfs/dbraw/zinc/40/66/98/527406698.db2.gz HPROKYQAWXPFLW-OAHLLOKOSA-N 0 3 301.434 3.046 10 30 DGEEHN C=CCN(CC(F)(F)F)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000433322209 527587189 /nfs/dbraw/zinc/58/71/89/527587189.db2.gz XCQIVIMHRSZVNK-AWEZNQCLSA-N 0 3 314.351 3.256 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)c1cscc1C#N)C(C)C ZINC000340302944 527646436 /nfs/dbraw/zinc/64/64/36/527646436.db2.gz RNHBXZQYSQKLKR-INIZCTEOSA-N 0 3 317.458 3.048 10 30 DGEEHN C=CCN(Cc1ccc(OCCN(C)C)cc1)CC(F)(F)F ZINC000092471821 545848488 /nfs/dbraw/zinc/84/84/88/545848488.db2.gz UCVUTESFRSNBML-UHFFFAOYSA-N 0 3 316.367 3.177 10 30 DGEEHN CCC(CC)(CNC(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000230658948 546274464 /nfs/dbraw/zinc/27/44/64/546274464.db2.gz YMSLOQHCXDSCKM-UHFFFAOYSA-N 0 3 321.421 3.324 10 30 DGEEHN CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594426745 547032257 /nfs/dbraw/zinc/03/22/57/547032257.db2.gz RWNUJTHFNLDRLE-WBVHZDCISA-N 0 3 301.434 3.225 10 30 DGEEHN C#CCN(C(=O)NCCN1[C@H](C)CCC[C@@H]1C)C1CCCCC1 ZINC000730912239 574538341 /nfs/dbraw/zinc/53/83/41/574538341.db2.gz QPLQVOBAAOHXEW-CALCHBBNSA-N 0 3 319.493 3.227 10 30 DGEEHN COC(=O)CCN(Cc1cc(Cl)ccc1OCC#N)C(C)C ZINC000735311808 574697044 /nfs/dbraw/zinc/69/70/44/574697044.db2.gz VYVAGENBJUGVTD-UHFFFAOYSA-N 0 3 324.808 3.016 10 30 DGEEHN CCCCCN(CCO)Cc1cc(Cl)ccc1OCC#N ZINC000735364032 574700117 /nfs/dbraw/zinc/70/01/17/574700117.db2.gz KNSQTGCFYHXYFD-UHFFFAOYSA-N 0 3 310.825 3.227 10 30 DGEEHN C=C(C)CNC(=S)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000741500513 574960349 /nfs/dbraw/zinc/96/03/49/574960349.db2.gz ZCGFKRLGXUNTSS-DZGCQCFKSA-N 0 3 323.531 3.171 10 30 DGEEHN CCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1CN ZINC000757137749 617646823 /nfs/dbraw/zinc/64/68/23/617646823.db2.gz MQIXORQYOXFUDH-UHFFFAOYSA-N 0 3 311.176 3.035 10 30 DGEEHN C[C@H](Cc1ccccc1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000112148879 620794136 /nfs/dbraw/zinc/79/41/36/620794136.db2.gz ATASVHVUONETSM-PBHICJAKSA-N 0 3 312.413 3.023 10 30 DGEEHN C=CCSc1nnc([C@@H]2CCCN(C/C(C)=C\C)C2)n1C ZINC000229848978 659284897 /nfs/dbraw/zinc/28/48/97/659284897.db2.gz QZUPVGZLKYVCCA-CNTYAEFGSA-N 0 3 306.479 3.239 10 30 DGEEHN CC(C)[C@H](CNC(=O)OC(C)(C)C)CN[C@@H]1CCC[C@@H]1C#N ZINC000230944415 659359951 /nfs/dbraw/zinc/35/99/51/659359951.db2.gz IZMSMKWMHTYMOE-QLFBSQMISA-N 0 3 309.454 3.065 10 30 DGEEHN COc1ccccc1N1CC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000181890749 199363984 /nfs/dbraw/zinc/36/39/84/199363984.db2.gz ZPMGEBGMJWNNNW-YJBOKZPZSA-N 0 3 321.424 3.496 10 30 DGEEHN C=CCN1[C@@H]2CC[C@H]1C[C@H](c1ccc(F)cc1)[C@@H]2C(=O)OC ZINC000005605889 181263048 /nfs/dbraw/zinc/26/30/48/181263048.db2.gz BNBZBLRBYOEGLO-HZMVEIRTSA-N 0 3 303.377 3.121 10 30 DGEEHN C=CC[C@H](CO)NCc1cnc(-c2c(F)cccc2F)s1 ZINC000449234532 240082548 /nfs/dbraw/zinc/08/25/48/240082548.db2.gz CIJMSRHUSVBJGV-SNVBAGLBSA-N 0 3 310.369 3.115 10 30 DGEEHN C=CCCCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474072373 244368103 /nfs/dbraw/zinc/36/81/03/244368103.db2.gz IDMYYQRDWLRJKC-SFHVURJKSA-N 0 3 315.461 3.259 10 30 DGEEHN CC(C)N1C[C@H](C)[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000246452419 432132960 /nfs/dbraw/zinc/13/29/60/432132960.db2.gz OTEJHHABEZHKNI-XHDPSFHLSA-N 0 3 320.824 3.062 10 30 DGEEHN N#Cc1ccccc1O[C@@H](CN)c1ccc(Br)cc1 ZINC000042957085 183322685 /nfs/dbraw/zinc/32/26/85/183322685.db2.gz MBZZYVPNRUQBAN-HNNXBMFYSA-N 0 3 317.186 3.400 10 30 DGEEHN CC(C)N(CCC#N)[C@@H](CN)c1ccccc1Br ZINC000043093390 183336624 /nfs/dbraw/zinc/33/66/24/183336624.db2.gz JJIAHHGJEDZEAQ-AWEZNQCLSA-N 0 3 310.239 3.073 10 30 DGEEHN N#Cc1ccc(O[C@@H](CN)c2ccccc2Br)cc1 ZINC000043094373 183336404 /nfs/dbraw/zinc/33/64/04/183336404.db2.gz NIZNOAREWJWVIV-HNNXBMFYSA-N 0 3 317.186 3.400 10 30 DGEEHN C=CCOCCCN[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000595076989 400100639 /nfs/dbraw/zinc/10/06/39/400100639.db2.gz KNGLMCCBHJCEMR-CQSZACIVSA-N 0 3 321.417 3.324 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000581888214 400083463 /nfs/dbraw/zinc/08/34/63/400083463.db2.gz VUOYDRDIGGQKKC-VQIMIIECSA-N 0 3 300.446 3.370 10 30 DGEEHN C=C(C)COc1cc(CN(C)[C@H](CO)CC(C)C)ccc1OC ZINC000579892910 400343892 /nfs/dbraw/zinc/34/38/92/400343892.db2.gz JSIHNHHKYUUXDB-KRWDZBQOSA-N 0 3 321.461 3.489 10 30 DGEEHN C[C@]1(C#N)CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000612371136 400533350 /nfs/dbraw/zinc/53/33/50/400533350.db2.gz YXEMBMJKSOSBRC-LJQANCHMSA-N 0 3 311.429 3.048 10 30 DGEEHN Cn1nccc1[C@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000619200295 400799419 /nfs/dbraw/zinc/79/94/19/400799419.db2.gz QJJKNDYVKLKRGF-HOCLYGCPSA-N 0 3 312.392 3.247 10 30 DGEEHN C=CCCC(C)(C)CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000633411291 400939768 /nfs/dbraw/zinc/93/97/68/400939768.db2.gz NAHXETBSWDRLQG-INIZCTEOSA-N 0 3 307.482 3.249 10 30 DGEEHN C=CCN(CC(F)(F)F)C(=O)Nc1cccc(CN(C)C)c1 ZINC000194445497 400919673 /nfs/dbraw/zinc/91/96/73/400919673.db2.gz RUAGSHGZWGDQIG-UHFFFAOYSA-N 0 3 315.339 3.330 10 30 DGEEHN N#CCCCC[C@@H](N)C(=O)NCc1c(Cl)cccc1Cl ZINC000594428089 401064153 /nfs/dbraw/zinc/06/41/53/401064153.db2.gz LCJLWSCTMATFJD-CYBMUJFWSA-N 0 3 314.216 3.021 10 30 DGEEHN C=C(C)[C@H](N[C@H](C)[C@H]1C[C@@H]1C(=O)OC)c1ccc(F)c(F)c1 ZINC000594947565 401202747 /nfs/dbraw/zinc/20/27/47/401202747.db2.gz VISOWKULHNQLHD-KBNOKHGBSA-N 0 3 309.356 3.369 10 30 DGEEHN C=C(C)[C@H](N[C@H](C)[C@@H]1C[C@H]1C(=O)OC)c1ccc(F)c(F)c1 ZINC000594947564 401202818 /nfs/dbraw/zinc/20/28/18/401202818.db2.gz VISOWKULHNQLHD-HBCZOZSTSA-N 0 3 309.356 3.369 10 30 DGEEHN C=CCOCCN[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982871 401272094 /nfs/dbraw/zinc/27/20/94/401272094.db2.gz VZVZJZWEGQJOGI-OAHLLOKOSA-N 0 3 317.260 3.388 10 30 DGEEHN C=C(C)COc1cc(CN[C@@H]2C[C@@H](C)O[C@H]2C)ccc1OC ZINC000631220683 401430062 /nfs/dbraw/zinc/43/00/62/401430062.db2.gz WIICSVQGJWIMRD-IJEWVQPXSA-N 0 3 305.418 3.306 10 30 DGEEHN C=C(C)COc1cc(CN[C@@H]2C[C@H](C)O[C@H]2C)ccc1OC ZINC000631220684 401430073 /nfs/dbraw/zinc/43/00/73/401430073.db2.gz WIICSVQGJWIMRD-OFQRWUPVSA-N 0 3 305.418 3.306 10 30 DGEEHN C=C(C)COc1cc(CN[C@@H]2C[C@H](C)O[C@@H]2C)ccc1OC ZINC000631220685 401430171 /nfs/dbraw/zinc/43/01/71/401430171.db2.gz WIICSVQGJWIMRD-SQWLQELKSA-N 0 3 305.418 3.306 10 30 DGEEHN C=CC[C@@H]1CCN(Cc2cn3ccc(Br)cc3n2)C1 ZINC000628407140 401592658 /nfs/dbraw/zinc/59/26/58/401592658.db2.gz ZVOHIDCFZBQPOQ-GFCCVEGCSA-N 0 3 320.234 3.495 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CC(C)(C)[C@H]2c2ccco2)CC1 ZINC000633039336 401646578 /nfs/dbraw/zinc/64/65/78/401646578.db2.gz CPLHGWZIHGHGCH-MRXNPFEDSA-N 0 3 317.433 3.023 10 30 DGEEHN C=C1CC(C)(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000633217672 401661921 /nfs/dbraw/zinc/66/19/21/401661921.db2.gz AXFLTFSJRREQFE-MRXNPFEDSA-N 0 3 318.486 3.484 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000624544324 401670268 /nfs/dbraw/zinc/67/02/68/401670268.db2.gz MLHFAPCXDFGVOU-WBVHZDCISA-N 0 3 305.466 3.001 10 30 DGEEHN C[C@@H](N[C@@H]1CCO[C@@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330249887 287060333 /nfs/dbraw/zinc/06/03/33/287060333.db2.gz MTWBPLAXXRXIJV-JWYYIFLZSA-N 0 3 306.450 3.067 10 30 DGEEHN COc1ccc(C#N)cc1CN[C@H](C)[C@H]1COc2ccccc21 ZINC000185623123 165009897 /nfs/dbraw/zinc/00/98/97/165009897.db2.gz QXOFFUIWUHORDM-CXAGYDPISA-N 0 3 308.381 3.221 10 30 DGEEHN Cn1cc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000191438012 165251210 /nfs/dbraw/zinc/25/12/10/165251210.db2.gz WUZYAUDNSXQOIR-ZBFHGGJFSA-N 0 3 315.442 3.046 10 30 DGEEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000190450869 432159631 /nfs/dbraw/zinc/15/96/31/432159631.db2.gz JTICCNFLDVEGPM-INIZCTEOSA-N 0 3 324.403 3.051 10 30 DGEEHN C=CCCCC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190540828 432167787 /nfs/dbraw/zinc/16/77/87/432167787.db2.gz RZZNCIWAIGIZDC-OAHLLOKOSA-N 0 3 321.490 3.088 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(C#N)cc1F ZINC000358580606 270003944 /nfs/dbraw/zinc/00/39/44/270003944.db2.gz YGJWWEJJNUEICV-DXCKQFNASA-N 0 3 320.433 3.403 10 30 DGEEHN CC[C@H](C)N[C@H](CNC(=O)c1sccc1C#N)c1ccco1 ZINC000359548146 270004264 /nfs/dbraw/zinc/00/42/64/270004264.db2.gz UBUIMAZURXZNTN-WCQYABFASA-N 0 3 317.414 3.072 10 30 DGEEHN C=C(C)CN1CCC(Nc2nccn3nc(C4CC4)cc23)CC1 ZINC000631108451 424828873 /nfs/dbraw/zinc/82/88/73/424828873.db2.gz PGUYGXLVXZNWDB-UHFFFAOYSA-N 0 3 311.433 3.059 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC12CCC2)C(C)C ZINC000435610532 277848175 /nfs/dbraw/zinc/84/81/75/277848175.db2.gz KHDONLOYOIPNQP-INIZCTEOSA-N 0 3 305.466 3.023 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000076737851 431560047 /nfs/dbraw/zinc/56/00/47/431560047.db2.gz OZVBIODKITZPGG-CABCVRRESA-N 0 3 304.434 3.159 10 30 DGEEHN C#CCOc1ccc(CN2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000123052845 431853465 /nfs/dbraw/zinc/85/34/65/431853465.db2.gz SIWXJNJYBIQREQ-SFHVURJKSA-N 0 3 309.413 3.041 10 30 DGEEHN CC(C)Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122320946 431826767 /nfs/dbraw/zinc/82/67/67/431826767.db2.gz WXKBPIBXUYCVPK-CVEARBPZSA-N 0 3 315.461 3.296 10 30 DGEEHN C[C@H](C#N)Oc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810784 431911672 /nfs/dbraw/zinc/91/16/72/431911672.db2.gz KZIRXUXGLDSMDR-CQSZACIVSA-N 0 3 310.401 3.080 10 30 DGEEHN C=CCCCN(C)Cc1cnc2ccc(Br)cn12 ZINC000093533543 431915986 /nfs/dbraw/zinc/91/59/86/431915986.db2.gz TYFPOKCPGCXAPR-UHFFFAOYSA-N 0 3 308.223 3.495 10 30 DGEEHN C#CCCOc1ccc(CN2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000093691332 431917121 /nfs/dbraw/zinc/91/71/21/431917121.db2.gz JXTUMMSSLWAVRQ-HXUWFJFHSA-N 0 3 322.408 3.137 10 30 DGEEHN COc1ccc([C@H](C)NCCOc2ccc(C#N)cc2)c(F)c1 ZINC000090107672 431890606 /nfs/dbraw/zinc/89/06/06/431890606.db2.gz OEAWBQHOZRCCSE-ZDUSSCGKSA-N 0 3 314.360 3.436 10 30 DGEEHN C=C[C@H](CC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)c1ccccc1 ZINC000248069888 432265185 /nfs/dbraw/zinc/26/51/85/432265185.db2.gz QEOUNFQXBSWAPJ-NEWSRXKRSA-N 0 3 312.457 3.289 10 30 DGEEHN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000248765431 432317408 /nfs/dbraw/zinc/31/74/08/432317408.db2.gz NUGZNQDWUSCTMT-DAXOMENPSA-N 0 3 319.364 3.166 10 30 DGEEHN C=CCOc1cccc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000175591309 432450804 /nfs/dbraw/zinc/45/08/04/432450804.db2.gz ZNLIBEYENNAQIW-GDBMZVCRSA-N 0 3 317.433 3.198 10 30 DGEEHN C=CC[C@@H](CO)N[C@H](C)c1cc(Br)ccc1F ZINC000186708317 432623790 /nfs/dbraw/zinc/62/37/90/432623790.db2.gz PNNNQKPXUOYZDX-KOLCDFICSA-N 0 3 302.187 3.176 10 30 DGEEHN C=CC[C@H](CO)N[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000186707733 432624099 /nfs/dbraw/zinc/62/40/99/432624099.db2.gz GLVXDFAHIINSFH-SMDDNHRTSA-N 0 3 303.431 3.101 10 30 DGEEHN C=CC[C@H](CO)N[C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000186713860 432626003 /nfs/dbraw/zinc/62/60/03/432626003.db2.gz BRNZVZPXBMYORD-IUODEOHRSA-N 0 3 319.836 3.422 10 30 DGEEHN C=CC[C@@H](CO)N[C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000186713825 432626160 /nfs/dbraw/zinc/62/61/60/432626160.db2.gz BRNZVZPXBMYORD-DOMZBBRYSA-N 0 3 319.836 3.422 10 30 DGEEHN CC(C)(C)OC(=O)NCC(C)(C)NCc1cc(C#N)cs1 ZINC000177695882 432651449 /nfs/dbraw/zinc/65/14/49/432651449.db2.gz TUXVNDPQZPZEFU-UHFFFAOYSA-N 0 3 309.435 3.013 10 30 DGEEHN CC(C)N(CCOc1cccc(C#N)c1)CCc1nccs1 ZINC000159891263 432699096 /nfs/dbraw/zinc/69/90/96/432699096.db2.gz PMJGXJCJCFQQCR-UHFFFAOYSA-N 0 3 315.442 3.347 10 30 DGEEHN C=C[C@H](CC(=O)N[C@@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000160246874 432712596 /nfs/dbraw/zinc/71/25/96/432712596.db2.gz DWROFNNPOSSKRN-AEFFLSMTSA-N 0 3 302.462 3.439 10 30 DGEEHN C=C(C)[C@@H](NC[C@H](O)COC(C)(C)C)c1ccc(F)c(F)c1 ZINC000187757276 432683735 /nfs/dbraw/zinc/68/37/35/432683735.db2.gz QYZOCEAMLGNXAX-XJKSGUPXSA-N 0 3 313.388 3.348 10 30 DGEEHN COc1ccc([C@@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000246002461 432874247 /nfs/dbraw/zinc/87/42/47/432874247.db2.gz JZABORGVJBERKO-VQTJNVASSA-N 0 3 322.408 3.437 10 30 DGEEHN C=CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000245676896 432853726 /nfs/dbraw/zinc/85/37/26/432853726.db2.gz UGNIPNKVMZPTHC-ZWKOTPCHSA-N 0 3 313.445 3.039 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000330242016 432899945 /nfs/dbraw/zinc/89/99/45/432899945.db2.gz FYNJMVBGRQAPRB-ULKVUYOBSA-N 0 3 310.344 3.098 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000330272738 432902322 /nfs/dbraw/zinc/90/23/22/432902322.db2.gz YBNJWRDYMGCSLI-TZTCFGBESA-N 0 3 310.344 3.098 10 30 DGEEHN C=CCN1CCC(NC(=O)Nc2cc(C)c(OC)cc2C)CC1 ZINC000278876640 432911780 /nfs/dbraw/zinc/91/17/80/432911780.db2.gz YFGASWYXKDDEJU-UHFFFAOYSA-N 0 3 317.433 3.084 10 30 DGEEHN Cc1cc(C(C#N)C(=O)c2cn(C)c3ccc(F)cc23)nc(C)n1 ZINC000361660684 433325376 /nfs/dbraw/zinc/32/53/76/433325376.db2.gz CIUFVBDEQSLWKY-AWEZNQCLSA-N 0 3 322.343 3.214 10 30 DGEEHN C=CCCCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000448028515 433350606 /nfs/dbraw/zinc/35/06/06/433350606.db2.gz DDJZTUYWHHFBDF-ZBFHGGJFSA-N 0 3 321.490 3.396 10 30 DGEEHN C=CCCCNC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000448254259 433383144 /nfs/dbraw/zinc/38/31/44/433383144.db2.gz CMZJVVNNRUJNEP-SFHVURJKSA-N 0 3 315.461 3.259 10 30 DGEEHN N#CC1(c2ccccc2)CC(N[C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000375384952 433448501 /nfs/dbraw/zinc/44/85/01/433448501.db2.gz UGFVPTIKCROPAP-FUFFSDJGSA-N 0 3 319.408 3.125 10 30 DGEEHN CCN1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000301249512 433468534 /nfs/dbraw/zinc/46/85/34/433468534.db2.gz BTVCCQNCYPEVBY-LBPRGKRZSA-N 0 3 312.339 3.258 10 30 DGEEHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)N(C)C(=O)OC(C)(C)C ZINC000283190677 433684726 /nfs/dbraw/zinc/68/47/26/433684726.db2.gz KNSWNXILUVXMMU-KBPBESRZSA-N 0 3 317.433 3.464 10 30 DGEEHN C=CCc1cc(CN2CCC[C@H](COC)CC2)cc(OC)c1O ZINC000449768659 433778282 /nfs/dbraw/zinc/77/82/82/433778282.db2.gz AQHYUSTZYNYJPN-HNNXBMFYSA-N 0 3 319.445 3.378 10 30 DGEEHN CCCNc1ccc(C#N)cc1NC(=O)CC1CCN(C)CC1 ZINC000362824946 433876708 /nfs/dbraw/zinc/87/67/08/433876708.db2.gz CVGYCEUCILNRPU-UHFFFAOYSA-N 0 3 314.433 3.051 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000284565415 433900127 /nfs/dbraw/zinc/90/01/27/433900127.db2.gz YOIVLFQBEHFZRX-WMLDXEAASA-N 0 3 304.434 3.016 10 30 DGEEHN C=CC(C)(C)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449934142 433881506 /nfs/dbraw/zinc/88/15/06/433881506.db2.gz HTFGHAYTANVPFS-HIFRSBDPSA-N 0 3 306.475 3.459 10 30 DGEEHN CC(=O)Nc1ccn([C@@H]2CCN(Cc3sccc3C)C2)n1 ZINC000328645536 434291718 /nfs/dbraw/zinc/29/17/18/434291718.db2.gz ZTQRVJAIAYVBQX-CYBMUJFWSA-N 0 3 304.419 3.308 10 30 DGEEHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000328830132 434316068 /nfs/dbraw/zinc/31/60/68/434316068.db2.gz KKNMMNLQXBIRAE-PVAVHDDUSA-N 0 3 321.428 3.343 10 30 DGEEHN CCN1CCC[C@@H](NC(=O)c2ccc(OC3CCCC3)nc2)C1 ZINC000329285607 434387442 /nfs/dbraw/zinc/38/74/42/434387442.db2.gz GONHYAUDZDGXHR-OAHLLOKOSA-N 0 3 317.433 3.192 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@]2(CC=CCC2)C1 ZINC000358394091 434392393 /nfs/dbraw/zinc/39/23/93/434392393.db2.gz FXASCOBGTQURFC-MJGOQNOKSA-N 0 3 302.462 3.398 10 30 DGEEHN C[C@@H](NC[C@@H](CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358591216 434399908 /nfs/dbraw/zinc/39/99/08/434399908.db2.gz OCVICLUJEXWHJS-PBHICJAKSA-N 0 3 312.388 3.199 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1c(F)cccc1Br ZINC000424170839 434643829 /nfs/dbraw/zinc/64/38/29/434643829.db2.gz JUXGDTOFTDPFRK-HZMBPMFUSA-N 0 3 314.198 3.269 10 30 DGEEHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000521604193 434888792 /nfs/dbraw/zinc/88/87/92/434888792.db2.gz VILVKUONFLSCTJ-UHFFFAOYSA-N 0 3 315.461 3.257 10 30 DGEEHN C=CCC[C@H](C(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000463777707 434969297 /nfs/dbraw/zinc/96/92/97/434969297.db2.gz VIPLTQLLCORADJ-MOPGFXCFSA-N 0 3 312.457 3.432 10 30 DGEEHN C=CCOc1ccc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1OC ZINC000527803086 435014668 /nfs/dbraw/zinc/01/46/68/435014668.db2.gz USVHWRKZYMVVKU-AHXJXLJNSA-N 0 3 305.418 3.162 10 30 DGEEHN C=CCN1CC[C@@H](N2CC[C@H](c3cccc(F)c3)C2(C)C)C1=O ZINC000528773084 435028935 /nfs/dbraw/zinc/02/89/35/435028935.db2.gz GTGBLLFWTUCCIU-IAGOWNOFSA-N 0 3 316.420 3.181 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)CC1 ZINC000566323679 435287008 /nfs/dbraw/zinc/28/70/08/435287008.db2.gz YSHZNZUEWJQNFL-USSHROBNSA-N 0 3 319.493 3.151 10 30 DGEEHN C=CCn1c(SC[C@@H](C)N(C)C)nnc1-c1ccc(F)cc1 ZINC000479220006 435323170 /nfs/dbraw/zinc/32/31/70/435323170.db2.gz SMUIMMNEZIMLPY-GFCCVEGCSA-N 0 3 320.437 3.312 10 30 DGEEHN C=CCCC[C@@H](C)N1CCCN(c2nc(CC)ns2)CC1 ZINC000536995560 435420623 /nfs/dbraw/zinc/42/06/23/435420623.db2.gz SXNLWJKCMAKRLF-CQSZACIVSA-N 0 3 308.495 3.357 10 30 DGEEHN CCC[C@@H]1CN(c2ccncc2C#N)CCN1Cc1ccccc1 ZINC000548490419 435699203 /nfs/dbraw/zinc/69/92/03/435699203.db2.gz VKBQILWLLUJKAB-LJQANCHMSA-N 0 3 320.440 3.444 10 30 DGEEHN CN1CCC[C@H](CNC[C@@H](C#N)CCC#N)[C@H]1c1cccs1 ZINC000572831302 435872535 /nfs/dbraw/zinc/87/25/35/435872535.db2.gz JTQLDOZUMWLVHH-INMHGKMJSA-N 0 3 316.474 3.164 10 30 DGEEHN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CC=CCC1 ZINC000543175540 314118483 /nfs/dbraw/zinc/11/84/83/314118483.db2.gz CTNVYWPUPJURIJ-ZDUSSCGKSA-N 0 3 317.820 3.438 10 30 DGEEHN CCN1CCN(c2ccc(Nc3ccncc3C#N)c(C)c2)CC1 ZINC000547824394 314399284 /nfs/dbraw/zinc/39/92/84/314399284.db2.gz FMLJSAYNUZBPGM-UHFFFAOYSA-N 0 3 321.428 3.147 10 30 DGEEHN C=CC[C@@H](CO)NCc1cc(Br)c(Cl)s1 ZINC000191593633 335771523 /nfs/dbraw/zinc/77/15/23/335771523.db2.gz URHDWHGTWOURBG-ZETCQYMHSA-N 0 3 310.644 3.191 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000185053411 337201485 /nfs/dbraw/zinc/20/14/85/337201485.db2.gz QRAAFUGAUUFRGC-AEFFLSMTSA-N 0 3 300.446 3.370 10 30 DGEEHN C=CCOc1cccc(CNc2ccc3c(c2)OCCNC3)c1 ZINC000530181128 340782033 /nfs/dbraw/zinc/78/20/33/340782033.db2.gz GXSIIRARJRYRJA-UHFFFAOYSA-N 0 3 310.397 3.346 10 30 DGEEHN C=CCN(Cc1cccs1)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000132333217 341121003 /nfs/dbraw/zinc/12/10/03/341121003.db2.gz JXETYRVQAUKDRO-HOCLYGCPSA-N 0 3 321.490 3.174 10 30 DGEEHN C=CCN1CCC(NC(=O)Nc2cccc([C@@H](C)OC)c2)CC1 ZINC000171639996 341781826 /nfs/dbraw/zinc/78/18/26/341781826.db2.gz JWZXUUIYZHALJT-CQSZACIVSA-N 0 3 317.433 3.166 10 30 DGEEHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000449549213 534577324 /nfs/dbraw/zinc/57/73/24/534577324.db2.gz VSUBPWOLIGLDOC-MJEQTWJJSA-N 0 3 318.417 3.038 10 30 DGEEHN C=CCC1(CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000459054256 534598642 /nfs/dbraw/zinc/59/86/42/534598642.db2.gz SPJKFRCWGMWKFZ-HOTGVXAUSA-N 0 3 307.482 3.247 10 30 DGEEHN C=CCCCNC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000458719458 534727849 /nfs/dbraw/zinc/72/78/49/534727849.db2.gz ILGDWXSIIFVSBV-INIZCTEOSA-N 0 3 321.490 3.277 10 30 DGEEHN C=CCN1CCC(NC(=O)NCC2(C)CCC(C)CC2)CC1 ZINC000353724697 526433049 /nfs/dbraw/zinc/43/30/49/526433049.db2.gz QCRIFNDWJHSQFQ-UHFFFAOYSA-N 0 3 307.482 3.152 10 30 DGEEHN C=C(C)CCN1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000352394596 526445669 /nfs/dbraw/zinc/44/56/69/526445669.db2.gz QTUVQPSFOLYXED-UHFFFAOYSA-N 0 3 302.447 3.088 10 30 DGEEHN C=C(C)CCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000352423416 526456090 /nfs/dbraw/zinc/45/60/90/526456090.db2.gz XNEZKINDLIANLD-ZBFHGGJFSA-N 0 3 310.800 3.307 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000185232433 526693806 /nfs/dbraw/zinc/69/38/06/526693806.db2.gz YLNSIYNVYBOHID-OAHLLOKOSA-N 0 3 306.425 3.318 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000185171451 526698561 /nfs/dbraw/zinc/69/85/61/526698561.db2.gz VVUMUJPIKXHONU-OAHLLOKOSA-N 0 3 310.507 3.067 10 30 DGEEHN C=CCOc1ccc(CN2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000352383707 526867128 /nfs/dbraw/zinc/86/71/28/526867128.db2.gz MLFAACYMIUFBSG-KRWDZBQOSA-N 0 3 311.429 3.365 10 30 DGEEHN C=CCOc1ccccc1CN[C@@H]1C[C@H](OCC)[C@@]12CCCO2 ZINC000358570624 526952318 /nfs/dbraw/zinc/95/23/18/526952318.db2.gz NJITWUQPUOFKQT-CEXWTWQISA-N 0 3 317.429 3.068 10 30 DGEEHN C=CCC1(C(=O)N(CCC)CCN2CCCCC2)CCOCC1 ZINC000424825578 527038414 /nfs/dbraw/zinc/03/84/14/527038414.db2.gz CSCBYTLXULTVJY-UHFFFAOYSA-N 0 3 322.493 3.084 10 30 DGEEHN C=CCCCN(C)CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000346998766 527191522 /nfs/dbraw/zinc/19/15/22/527191522.db2.gz YNYLPQKIAOTVTM-UHFFFAOYSA-N 0 3 324.852 3.075 10 30 DGEEHN C=CCc1cc(CN2CCC[C@H]3COCC[C@H]32)cc(OC)c1O ZINC000355116066 527236776 /nfs/dbraw/zinc/23/67/76/527236776.db2.gz SAGQTJPLABYPIH-DLBZAZTESA-N 0 3 317.429 3.130 10 30 DGEEHN CCCCN(CCC(=O)N(C)CCC#N)Cc1ccccc1F ZINC000356990442 528397577 /nfs/dbraw/zinc/39/75/77/528397577.db2.gz UAWQAHHHXBRLBH-UHFFFAOYSA-N 0 3 319.424 3.190 10 30 DGEEHN N#Cc1ccc(OCCN[C@H]2CCCOc3ccccc32)cc1 ZINC000181155001 546154625 /nfs/dbraw/zinc/15/46/25/546154625.db2.gz YDGMBPXPVJWBTC-SFHVURJKSA-N 0 3 308.381 3.441 10 30 DGEEHN C=CCOc1cccc(CN2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000245770327 546299712 /nfs/dbraw/zinc/29/97/12/546299712.db2.gz ROZKPNQRZGHJGI-PKOBYXMFSA-N 0 3 301.430 3.378 10 30 DGEEHN COc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cc1C#N ZINC000742370392 574992868 /nfs/dbraw/zinc/99/28/68/574992868.db2.gz QCAOPJQLWNNZIY-CQSZACIVSA-N 0 3 321.380 3.320 10 30 DGEEHN C=CCOc1ccc(CNCCN2CCc3ccccc32)cc1 ZINC000742718747 575014552 /nfs/dbraw/zinc/01/45/52/575014552.db2.gz ZLWCRIJGJOYEMX-UHFFFAOYSA-N 0 3 308.425 3.404 10 30 DGEEHN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000158751544 655790629 /nfs/dbraw/zinc/79/06/29/655790629.db2.gz XQUZJIMKJHEURC-YESZJQIVSA-N 0 3 312.413 3.147 10 30 DGEEHN N#CC(C(=O)CCCOc1ccc(F)cc1F)c1ccccn1 ZINC000065650470 655847532 /nfs/dbraw/zinc/84/75/32/655847532.db2.gz AOHPIJJHHZRGDA-CYBMUJFWSA-N 0 3 316.307 3.395 10 30 DGEEHN CSCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000172349214 659331351 /nfs/dbraw/zinc/33/13/51/659331351.db2.gz TZZAWXJOOJYCII-GFCCVEGCSA-N 0 3 310.806 3.131 10 30 DGEEHN C#CCOc1ccccc1CNCCOc1ccc(F)cc1F ZINC000237772921 659940714 /nfs/dbraw/zinc/94/07/14/659940714.db2.gz GFPRDHXWZKJJGT-UHFFFAOYSA-N 0 3 317.335 3.145 10 30 DGEEHN C=CC[C@H](C)NCc1ccccc1I ZINC000379653999 1197703939 /nfs/dbraw/zinc/70/39/39/1197703939.db2.gz IKKQPTCLBJSBML-JTQLQIEISA-N 0 3 301.171 3.345 10 30 DGEEHN N#Cc1cccc(CN[C@@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000088755414 185264072 /nfs/dbraw/zinc/26/40/72/185264072.db2.gz XUZPFKUIOSLKGM-OAHLLOKOSA-N 0 3 313.351 3.205 10 30 DGEEHN C[C@H](NCCOc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000181756245 199348061 /nfs/dbraw/zinc/34/80/61/199348061.db2.gz RIPLOLCURJNFRP-AWEZNQCLSA-N 0 3 324.380 3.059 10 30 DGEEHN C#CCCCC[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000150730232 186060702 /nfs/dbraw/zinc/06/07/02/186060702.db2.gz GUDMMPVDMPPBNZ-UHFFFAOYSA-N 0 3 312.207 3.056 10 30 DGEEHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152496304 186079673 /nfs/dbraw/zinc/07/96/73/186079673.db2.gz VCNUXZFLCCCWOF-UKRRQHHQSA-N 0 3 322.836 3.089 10 30 DGEEHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(-n2cncn2)cc1 ZINC000179593403 432064254 /nfs/dbraw/zinc/06/42/54/432064254.db2.gz IZQQGQUUFYQDGL-CYBMUJFWSA-N 0 3 321.359 3.129 10 30 DGEEHN C#Cc1cccc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000179478398 199042435 /nfs/dbraw/zinc/04/24/35/199042435.db2.gz JMGLJQSTUBZCDK-OALUTQOASA-N 0 3 319.408 3.235 10 30 DGEEHN CCCCCN(CCCOC)Cc1cnc2ccc(C#N)cn12 ZINC000180877590 432104712 /nfs/dbraw/zinc/10/47/12/432104712.db2.gz CKXSMQYNYFACET-UHFFFAOYSA-N 0 3 314.433 3.235 10 30 DGEEHN C=C(C)COc1cc(CNCC2=CCOCC2)ccc1OC ZINC000449401202 240177950 /nfs/dbraw/zinc/17/79/50/240177950.db2.gz FVPBTEXWNIXUPD-UHFFFAOYSA-N 0 3 303.402 3.086 10 30 DGEEHN C=CCOc1cccc(CN[C@H]2CCCC[C@H]2C(=O)OC)c1 ZINC000449514561 240261239 /nfs/dbraw/zinc/26/12/39/240261239.db2.gz WNASGGLXXYJUDG-SJORKVTESA-N 0 3 303.402 3.073 10 30 DGEEHN CCN1CCN(c2ccccc2NCc2ccc(C#N)cc2)CC1 ZINC000128322096 284371704 /nfs/dbraw/zinc/37/17/04/284371704.db2.gz TXGWKRJOTMCWMF-UHFFFAOYSA-N 0 3 320.440 3.312 10 30 DGEEHN C=CCN[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494204153 246120538 /nfs/dbraw/zinc/12/05/38/246120538.db2.gz HTHGBEWAMHVUDG-GDBMZVCRSA-N 0 3 310.800 3.305 10 30 DGEEHN N#Cc1ccc(OCCNCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000136227618 284497403 /nfs/dbraw/zinc/49/74/03/284497403.db2.gz QRDWIHUHWVJUPN-UHFFFAOYSA-N 0 3 318.380 3.117 10 30 DGEEHN C=CCN1CC[C@]23CC(=O)C[C@@H](C)[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000040791387 183133965 /nfs/dbraw/zinc/13/39/65/183133965.db2.gz PZHULVXDBMMNAZ-NWTFUFRBSA-N 0 3 311.425 3.062 10 30 DGEEHN CCN(Cc1ccc(Cl)c(Cl)c1)C[C@H](C)/C(N)=N/O ZINC000042445143 183271414 /nfs/dbraw/zinc/27/14/14/183271414.db2.gz DHKGOPNQUZIVIV-VIFPVBQESA-N 0 3 304.221 3.198 10 30 DGEEHN N#Cc1cccc(C[NH2+]Cc2ccc([O-])c(Br)c2)c1 ZINC000062702707 184247912 /nfs/dbraw/zinc/24/79/12/184247912.db2.gz CMCCRRPEOOZADG-UHFFFAOYSA-N 0 3 317.186 3.316 10 30 DGEEHN Cc1cnc(CCN(C)CCCOc2cccc(C#N)c2)s1 ZINC000157610785 197202064 /nfs/dbraw/zinc/20/20/64/197202064.db2.gz HJBMZYAHQNPSSS-UHFFFAOYSA-N 0 3 315.442 3.267 10 30 DGEEHN Cc1cc(C#N)cc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000342792060 254051725 /nfs/dbraw/zinc/05/17/25/254051725.db2.gz SCTOOHGIBFEEQE-IBGZPJMESA-N 0 3 320.440 3.363 10 30 DGEEHN Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H](C#N)C3)C2=O)cc1 ZINC000248838092 292133606 /nfs/dbraw/zinc/13/36/06/292133606.db2.gz NHUCPCLYWNKXNN-NUJGCVRESA-N 0 3 311.429 3.162 10 30 DGEEHN C=CCC(C)(C)CNCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602675038 400535996 /nfs/dbraw/zinc/53/59/96/400535996.db2.gz IYAYDPHFDOJHEN-UHFFFAOYSA-N 0 3 307.438 3.067 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(C)[nH]c1C)C(C)C ZINC000603287863 400664484 /nfs/dbraw/zinc/66/44/84/400664484.db2.gz LAAORIAIPJNSHP-QGZVFWFLSA-N 0 3 303.450 3.060 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000076733832 400669736 /nfs/dbraw/zinc/66/97/36/400669736.db2.gz MSHJPSRVVZCFSE-HNNXBMFYSA-N 0 3 317.433 3.238 10 30 DGEEHN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000154322292 400693159 /nfs/dbraw/zinc/69/31/59/400693159.db2.gz DPJYYEAXNIAOSJ-INIZCTEOSA-N 0 3 315.461 3.298 10 30 DGEEHN C=CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000179267747 400877294 /nfs/dbraw/zinc/87/72/94/400877294.db2.gz UGNIPNKVMZPTHC-MSOLQXFVSA-N 0 3 313.445 3.039 10 30 DGEEHN C=CC[C@H]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593620208 400882173 /nfs/dbraw/zinc/88/21/73/400882173.db2.gz FVUPBTPWGQNWTI-NWDGAFQWSA-N 0 3 300.362 3.306 10 30 DGEEHN C=CCCCN(C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000605738747 400884705 /nfs/dbraw/zinc/88/47/05/400884705.db2.gz DTAOHSIDQITILB-IBGZPJMESA-N 0 3 300.446 3.460 10 30 DGEEHN C=C(C)CN1CCC(Nc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000080616442 400969140 /nfs/dbraw/zinc/96/91/40/400969140.db2.gz ADIIAWAFGUAKFD-UHFFFAOYSA-N 0 3 323.368 3.195 10 30 DGEEHN CC#CC[C@@H](N)c1cc(Cl)ccc1I ZINC000232555025 400971478 /nfs/dbraw/zinc/97/14/78/400971478.db2.gz XZQRBZLKBAGUKG-LLVKDONJSA-N 0 3 319.573 3.358 10 30 DGEEHN C=CCCC[C@@H](C)N(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142494 401311500 /nfs/dbraw/zinc/31/15/00/401311500.db2.gz KARLHUBIDWKPCV-CQSZACIVSA-N 0 3 318.417 3.073 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000627071690 401439561 /nfs/dbraw/zinc/43/95/61/401439561.db2.gz SXKLJAXHCDAVNQ-CRAIPNDOSA-N 0 3 315.461 3.417 10 30 DGEEHN C=CC(C)(C)CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000628316882 401574852 /nfs/dbraw/zinc/57/48/52/401574852.db2.gz MWPQDRJHUVVRTA-KRWDZBQOSA-N 0 3 315.461 3.012 10 30 DGEEHN C=C(C)COc1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)ccc1OC ZINC000623753013 401575943 /nfs/dbraw/zinc/57/59/43/401575943.db2.gz PWIHHAZKZDIZNM-FUHWJXTLSA-N 0 3 317.429 3.307 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000623855638 401588314 /nfs/dbraw/zinc/58/83/14/401588314.db2.gz DSAIXWJMDYQGFK-IAGOWNOFSA-N 0 3 315.461 3.115 10 30 DGEEHN CC(=O)Nc1ccc([C@@H](C)NCCOc2ccc(C#N)cc2)cc1 ZINC000182144939 432161393 /nfs/dbraw/zinc/16/13/93/432161393.db2.gz HXRLNDMONYUFEE-CQSZACIVSA-N 0 3 323.396 3.246 10 30 DGEEHN Fc1ccc(C#CCN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246963948 432185339 /nfs/dbraw/zinc/18/53/39/432185339.db2.gz VBDXVRCSYVBSCH-FXAWDEMLSA-N 0 3 312.432 3.126 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CCC(C(C)(C)C)CC2)CC1 ZINC000172121937 432198739 /nfs/dbraw/zinc/19/87/39/432198739.db2.gz JXTHSZDAXXSEQZ-UHFFFAOYSA-N 0 3 321.509 3.495 10 30 DGEEHN CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCCC#N)C1CC1 ZINC000190935701 432203970 /nfs/dbraw/zinc/20/39/70/432203970.db2.gz HPMBMEOKFUNLNQ-OAHLLOKOSA-N 0 3 307.438 3.154 10 30 DGEEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000180125158 228355534 /nfs/dbraw/zinc/35/55/34/228355534.db2.gz CXNAKRDECKAQOZ-MAUKXSAKSA-N 0 3 324.428 3.147 10 30 DGEEHN C[C@]1(CNc2cnccc2C#N)CCCN1Cc1ccccc1 ZINC000397912228 267261999 /nfs/dbraw/zinc/26/19/99/267261999.db2.gz IFBTZBNGHXCYQK-LJQANCHMSA-N 0 3 306.413 3.420 10 30 DGEEHN Cc1cc(C)n(CCCN[C@H](C)c2ccc(C#N)cc2F)n1 ZINC000358580461 267323074 /nfs/dbraw/zinc/32/30/74/267323074.db2.gz XVPBEARQWUYYNB-CQSZACIVSA-N 0 3 300.381 3.252 10 30 DGEEHN C=CC[C@H](CO)N[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000343503831 273487098 /nfs/dbraw/zinc/48/70/98/273487098.db2.gz LUCNWHQLBMDUMY-RISCZKNCSA-N 0 3 300.324 3.004 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)CC1 ZINC000473817731 275417510 /nfs/dbraw/zinc/41/75/10/275417510.db2.gz AVAGMTAIJOHBMK-PMPSAXMXSA-N 0 3 307.482 3.103 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCCC12CCC2)C(C)C ZINC000444848483 277848217 /nfs/dbraw/zinc/84/82/17/277848217.db2.gz MUXFVVDNLPIINF-KRWDZBQOSA-N 0 3 319.493 3.413 10 30 DGEEHN N#CCSCCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000074990214 431447571 /nfs/dbraw/zinc/44/75/71/431447571.db2.gz ZXRMRVWABXNYKH-AWEZNQCLSA-N 0 3 304.415 3.199 10 30 DGEEHN N#Cc1cccc(NC(=O)CCN2CCC[C@H]2c2ccco2)c1 ZINC000116288761 431499611 /nfs/dbraw/zinc/49/96/11/431499611.db2.gz CSPGVDZJTGHFJR-INIZCTEOSA-N 0 3 309.369 3.317 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000121077039 431745381 /nfs/dbraw/zinc/74/53/81/431745381.db2.gz MDQBDRCLLOQAKR-UPTPFMHGSA-N 0 3 305.466 3.204 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000121134423 431746455 /nfs/dbraw/zinc/74/64/55/431746455.db2.gz HKBDAQWHFUTGGA-ISOUWHGUSA-N 0 3 304.478 3.358 10 30 DGEEHN Cc1csc(C(C#N)C(=O)Nc2nc3ccccc3s2)n1 ZINC000121950764 431807620 /nfs/dbraw/zinc/80/76/20/431807620.db2.gz JPELBAABGJMDMC-VIFPVBQESA-N 0 3 314.395 3.307 10 30 DGEEHN C[C@@H](C#N)Oc1ccc(CN2CCC(c3ccnn3C)CC2)cc1 ZINC000092810362 431912010 /nfs/dbraw/zinc/91/20/10/431912010.db2.gz AGFQUVXTBZVYLR-HNNXBMFYSA-N 0 3 324.428 3.091 10 30 DGEEHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000093690986 431917444 /nfs/dbraw/zinc/91/74/44/431917444.db2.gz CDNHPFREVVLPPQ-BEFAXECRSA-N 0 3 323.396 3.026 10 30 DGEEHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000151770288 432274742 /nfs/dbraw/zinc/27/47/42/432274742.db2.gz KVANLDNIZRZRPD-CQSZACIVSA-N 0 3 324.380 3.059 10 30 DGEEHN Cc1ccncc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000183185985 432266645 /nfs/dbraw/zinc/26/66/45/432266645.db2.gz IHQSALNFXFUYJY-UHFFFAOYSA-N 0 3 306.413 3.338 10 30 DGEEHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC#Cc2ccccc2)C1 ZINC000191964318 432317777 /nfs/dbraw/zinc/31/77/77/432317777.db2.gz KAEJUOXVNQHKIX-IEBWSBKVSA-N 0 3 312.457 3.055 10 30 DGEEHN CCN(CC)Cc1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192624199 432394997 /nfs/dbraw/zinc/39/49/97/432394997.db2.gz RMAUPAHWSWFHJJ-UHFFFAOYSA-N 0 3 308.385 3.047 10 30 DGEEHN C=CCOc1cccc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000175591344 432451405 /nfs/dbraw/zinc/45/14/05/432451405.db2.gz ZNLIBEYENNAQIW-ZBFHGGJFSA-N 0 3 317.433 3.198 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000185571008 432512319 /nfs/dbraw/zinc/51/23/19/432512319.db2.gz AYCPBGFHGCBFLB-SJLPKXTDSA-N 0 3 300.446 3.370 10 30 DGEEHN C=CCOCCN[C@H]1CCOc2c(Br)cccc21 ZINC000272529274 432518199 /nfs/dbraw/zinc/51/81/99/432518199.db2.gz JBGGWXCDNAMGEF-ZDUSSCGKSA-N 0 3 312.207 3.065 10 30 DGEEHN CCc1nccn1[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000186218191 432570206 /nfs/dbraw/zinc/57/02/06/432570206.db2.gz RRUYXIWRXCLZGJ-SFHVURJKSA-N 0 3 308.429 3.463 10 30 DGEEHN CCOCCN1CCN([C@@H](C)c2cccc(C#N)c2)C[C@H]1CC ZINC000187682388 432675639 /nfs/dbraw/zinc/67/56/39/432675639.db2.gz IMOYDXHVQMQJGL-QFBILLFUSA-N 0 3 315.461 3.052 10 30 DGEEHN CN1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000245690491 432856916 /nfs/dbraw/zinc/85/69/16/432856916.db2.gz XCKQUONYEJDWKU-QZTJIDSGSA-N 0 3 320.396 3.125 10 30 DGEEHN Cc1cccc(C)c1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330223168 432898541 /nfs/dbraw/zinc/89/85/41/432898541.db2.gz MYLCSPKGVVIWEJ-LXZKKBNFSA-N 0 3 302.418 3.437 10 30 DGEEHN Cc1cc(C)cc(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2C2CC2)c1 ZINC000330240497 432899849 /nfs/dbraw/zinc/89/98/49/432899849.db2.gz FFYPBSYFYKRZBO-RRQGHBQHSA-N 0 3 302.418 3.437 10 30 DGEEHN Cc1cccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)c1C ZINC000330267024 432900381 /nfs/dbraw/zinc/90/03/81/432900381.db2.gz QFURUEORXBLTSE-IAOVAPTHSA-N 0 3 302.418 3.437 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1c(F)cccc1F ZINC000330273579 432901901 /nfs/dbraw/zinc/90/19/01/432901901.db2.gz ZKHGQQPVASDMMY-DYQSUWPFSA-N 0 3 310.344 3.098 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453357949 433116613 /nfs/dbraw/zinc/11/66/13/433116613.db2.gz MWTIYKRRDQVUIV-KFWWJZLASA-N 0 3 312.335 3.411 10 30 DGEEHN C=CCCCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000448139842 433364592 /nfs/dbraw/zinc/36/45/92/433364592.db2.gz QHLZBVJKRLAGRX-HNNXBMFYSA-N 0 3 303.450 3.381 10 30 DGEEHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)c1cccc(C#N)n1 ZINC000301871659 433769197 /nfs/dbraw/zinc/76/91/97/433769197.db2.gz WWLPKWCOJNLTNV-QFBILLFUSA-N 0 3 320.440 3.300 10 30 DGEEHN CC#CCCCC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000376953411 433842295 /nfs/dbraw/zinc/84/22/95/433842295.db2.gz FNTHFGFABZPXDJ-SFHVURJKSA-N 0 3 312.457 3.303 10 30 DGEEHN C=CC[C@H](CO)N[C@@H]1CCc2sc(Br)cc21 ZINC000294012354 433964829 /nfs/dbraw/zinc/96/48/29/433964829.db2.gz DIJKTYLODIYQSA-PSASIEDQSA-N 0 3 302.237 3.025 10 30 DGEEHN CN1CC[C@@H](CNC(=O)c2ccsc2)[C@@H]1c1cccnc1 ZINC000328630483 434290511 /nfs/dbraw/zinc/29/05/11/434290511.db2.gz PYDIVWPYWLCYHE-ZFWWWQNUSA-N 0 3 301.415 3.141 10 30 DGEEHN C[C@@H]1CCC[C@H](NC(=O)CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)[C@H]1C ZINC000328904201 434325826 /nfs/dbraw/zinc/32/58/26/434325826.db2.gz IZBXZBKEXJBKSU-XRHVGZCVSA-N 0 3 321.465 3.255 10 30 DGEEHN C[C@H](NC[C@H](C)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571696 434398403 /nfs/dbraw/zinc/39/84/03/434398403.db2.gz PITFLNSDIJAIRP-ILXRZTDVSA-N 0 3 303.425 3.468 10 30 DGEEHN C#CCCCCC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000367376054 434549136 /nfs/dbraw/zinc/54/91/36/434549136.db2.gz AMOBMQABGLQAMM-SFHVURJKSA-N 0 3 312.457 3.303 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(F)cc1Br ZINC000424178704 434647359 /nfs/dbraw/zinc/64/73/59/434647359.db2.gz WQFMFFJNAPFXKQ-FZMZJTMJSA-N 0 3 314.198 3.269 10 30 DGEEHN C[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000453246942 434841025 /nfs/dbraw/zinc/84/10/25/434841025.db2.gz MZCBFLITIUELDD-WBMJQRKESA-N 0 3 316.351 3.091 10 30 DGEEHN C=CCOc1cccc(CN[C@@H]2COc3ccc(F)cc3C2)c1 ZINC000568910869 435481810 /nfs/dbraw/zinc/48/18/10/435481810.db2.gz IPKHBRODBLEVLO-KRWDZBQOSA-N 0 3 313.372 3.484 10 30 DGEEHN CSc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000172339094 312746330 /nfs/dbraw/zinc/74/63/30/312746330.db2.gz UFSVFABMMZFGFZ-UHFFFAOYSA-N 0 3 308.410 3.218 10 30 DGEEHN N#Cc1ccc(OCCN[C@@H]2CCCNc3ccccc32)cc1 ZINC000193008490 323460997 /nfs/dbraw/zinc/46/09/97/323460997.db2.gz NOXNFHCGFOGPNS-LJQANCHMSA-N 0 3 307.397 3.474 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000520710154 336033194 /nfs/dbraw/zinc/03/31/94/336033194.db2.gz LEGIVKGMHNCJDS-MRXNPFEDSA-N 0 3 307.482 3.247 10 30 DGEEHN C=CC[C@H](CO)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000527889536 337771852 /nfs/dbraw/zinc/77/18/52/337771852.db2.gz FMWRYSJBKLCFMV-DTWKUNHWSA-N 0 3 320.177 3.315 10 30 DGEEHN C=C1CCN(Cc2ccccc2N2CCN(CCC)CC2)CC1 ZINC000513502851 340411140 /nfs/dbraw/zinc/41/11/40/340411140.db2.gz HEQOTSNLPPHASA-UHFFFAOYSA-N 0 3 313.489 3.371 10 30 DGEEHN C[C@@H](CN(C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000302045417 533744615 /nfs/dbraw/zinc/74/46/15/533744615.db2.gz XWSFBHORGGXIBN-AWEZNQCLSA-N 0 3 324.384 3.399 10 30 DGEEHN C[C@H](NCC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000183211362 533815068 /nfs/dbraw/zinc/81/50/68/533815068.db2.gz JROXLLBBNAQBLW-SWLSCSKDSA-N 0 3 313.319 3.094 10 30 DGEEHN C=C(C)CCN(CCO)Cc1cc(Br)cs1 ZINC000352400522 526440003 /nfs/dbraw/zinc/44/00/03/526440003.db2.gz DDUDMCIHDXORRK-UHFFFAOYSA-N 0 3 304.253 3.271 10 30 DGEEHN C=CCN1CC[C@H](N[C@H](c2ccc(Cl)cc2)C2CC2)C1=O ZINC000337168552 526514241 /nfs/dbraw/zinc/51/42/41/526514241.db2.gz BRUJZEOTWPABQY-HOTGVXAUSA-N 0 3 304.821 3.168 10 30 DGEEHN C=CCN1CC[C@H](N[C@@H](c2ccc(Cl)cc2)C2CC2)C1=O ZINC000337168554 526514428 /nfs/dbraw/zinc/51/44/28/526514428.db2.gz BRUJZEOTWPABQY-JKSUJKDBSA-N 0 3 304.821 3.168 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000185307356 526693546 /nfs/dbraw/zinc/69/35/46/526693546.db2.gz FHRNNMGSXILPBC-OAHLLOKOSA-N 0 3 306.425 3.318 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000185307344 526706365 /nfs/dbraw/zinc/70/63/65/526706365.db2.gz FHRNNMGSXILPBC-HNNXBMFYSA-N 0 3 306.425 3.318 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@H](CO)c1ccc(F)cc1 ZINC000414563101 526949342 /nfs/dbraw/zinc/94/93/42/526949342.db2.gz UTOBKXNPTWRFPY-KRWDZBQOSA-N 0 3 315.388 3.256 10 30 DGEEHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000432074350 527009895 /nfs/dbraw/zinc/00/98/95/527009895.db2.gz BTOJAUKMQNURQG-IAGOWNOFSA-N 0 3 315.461 3.333 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(Br)c(F)c1 ZINC000349750904 527102788 /nfs/dbraw/zinc/10/27/88/527102788.db2.gz XSVSONRFXOPWKC-ONGXEEELSA-N 0 3 302.187 3.176 10 30 DGEEHN C=CCCCN(C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000339002894 527193554 /nfs/dbraw/zinc/19/35/54/527193554.db2.gz NHBLCSMKDAFUPL-WMLDXEAASA-N 0 3 304.409 3.386 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000348269114 527193997 /nfs/dbraw/zinc/19/39/97/527193997.db2.gz DNPPDGDVEXXBPV-CQSZACIVSA-N 0 3 312.417 3.302 10 30 DGEEHN C=CC[C@H](CO)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000184276768 527209029 /nfs/dbraw/zinc/20/90/29/527209029.db2.gz HRLDOPQIXOAGGQ-LJQANCHMSA-N 0 3 322.408 3.164 10 30 DGEEHN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc2ccccc2c1 ZINC000181485081 528363861 /nfs/dbraw/zinc/36/38/61/528363861.db2.gz FNNDDAHYYKIWDS-OAHLLOKOSA-N 0 3 309.413 3.253 10 30 DGEEHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000131408454 545956643 /nfs/dbraw/zinc/95/66/43/545956643.db2.gz UZCRADBKFNTZSB-HUUCEWRRSA-N 0 3 304.434 3.063 10 30 DGEEHN C=CCCC[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000180334195 546144930 /nfs/dbraw/zinc/14/49/30/546144930.db2.gz RXFXIIRBMHBAPH-DOTOQJQBSA-N 0 3 303.450 3.333 10 30 DGEEHN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(-n2cncn2)cc1 ZINC000181878426 546162273 /nfs/dbraw/zinc/16/22/73/546162273.db2.gz QDXDECGPFQBEAM-OAHLLOKOSA-N 0 3 320.371 3.109 10 30 DGEEHN C#CCCOc1ccc(CNC[C@H]2COc3ccccc3O2)cc1 ZINC000733322673 574615299 /nfs/dbraw/zinc/61/52/99/574615299.db2.gz AAFQDQCPRFMFKJ-SFHVURJKSA-N 0 3 323.392 3.018 10 30 DGEEHN C=C(C)CN1CCC(NC(=S)Nc2ccc(F)cc2)CC1 ZINC000729942088 575267569 /nfs/dbraw/zinc/26/75/69/575267569.db2.gz ISGKAFSGWSTUGQ-UHFFFAOYSA-N 0 3 307.438 3.153 10 30 DGEEHN C=CCN1CCC(NC(=O)Nc2nc(C(C)C)cs2)CC1 ZINC000730109727 575275122 /nfs/dbraw/zinc/27/51/22/575275122.db2.gz JQFHBWVEUIDSHL-UHFFFAOYSA-N 0 3 308.451 3.038 10 30 DGEEHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)OC1CCCCCC1 ZINC000162298554 656080198 /nfs/dbraw/zinc/08/01/98/656080198.db2.gz YORWONWTWIPQGY-GOEBONIOSA-N 0 3 322.449 3.130 10 30 DGEEHN C#Cc1cccc(NC(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1 ZINC000182865238 660086934 /nfs/dbraw/zinc/08/69/34/660086934.db2.gz GVNMVRVTEAGKIT-INIZCTEOSA-N 0 3 321.424 3.310 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@H](O)c1ccc(F)cc1 ZINC000075734942 661945344 /nfs/dbraw/zinc/94/53/44/661945344.db2.gz LZAJNOFTYPFVSS-QGZVFWFLSA-N 0 3 301.361 3.214 10 30 DGEEHN CC[C@H](C)N1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000123246493 1200275525 /nfs/dbraw/zinc/27/55/25/1200275525.db2.gz KSDDVZSCIZQSRM-LBPRGKRZSA-N 0 3 322.250 3.241 10 30 DGEEHN C[C@H](c1ccc(Cl)cc1)N(C)CCC(=O)N(C)CCC#N ZINC000062014198 432003378 /nfs/dbraw/zinc/00/33/78/432003378.db2.gz BLSJFRAOXCYMRZ-CYBMUJFWSA-N 0 3 307.825 3.095 10 30 DGEEHN C[C@@H](c1ccc(Cl)cc1)N(C)CCC(=O)N(C)CCC#N ZINC000062014197 432003386 /nfs/dbraw/zinc/00/33/86/432003386.db2.gz BLSJFRAOXCYMRZ-ZDUSSCGKSA-N 0 3 307.825 3.095 10 30 DGEEHN C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCN1C ZINC000174528248 198347998 /nfs/dbraw/zinc/34/79/98/198347998.db2.gz PKFXZNCHHWHNAY-SMDDNHRTSA-N 0 3 320.824 3.158 10 30 DGEEHN Cc1cc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)no1 ZINC000179458406 432059236 /nfs/dbraw/zinc/05/92/36/432059236.db2.gz YVHKJSARVHEBKI-GFCCVEGCSA-N 0 3 324.365 3.352 10 30 DGEEHN C[C@@H](CN(C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000167443941 432065205 /nfs/dbraw/zinc/06/52/05/432065205.db2.gz KEGGWPXFJPINLZ-AWEZNQCLSA-N 0 3 324.384 3.399 10 30 DGEEHN Cc1cc(CNCc2ccccc2-n2cccn2)ccc1C#N ZINC000443989783 239246906 /nfs/dbraw/zinc/24/69/06/239246906.db2.gz RLVQAODLVXMQDZ-UHFFFAOYSA-N 0 3 302.381 3.342 10 30 DGEEHN CCCN(Cc1ccc(OC)c(C#N)c1)C[C@@H]1CCCCO1 ZINC000135185392 432104047 /nfs/dbraw/zinc/10/40/47/432104047.db2.gz HHBXROQYOPQCJS-KRWDZBQOSA-N 0 3 302.418 3.348 10 30 DGEEHN Cn1cc(C#N)cc1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000081012277 283907661 /nfs/dbraw/zinc/90/76/61/283907661.db2.gz QIKSHGYQJZLADI-UHFFFAOYSA-N 0 3 322.412 3.135 10 30 DGEEHN C=CCNC(=O)CN[C@H](C)c1ccc(-c2ccccc2)s1 ZINC000563778100 335006072 /nfs/dbraw/zinc/00/60/72/335006072.db2.gz YKJSEZLVSJMHSW-CYBMUJFWSA-N 0 3 300.427 3.368 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CCc3sccc3[C@H]2C)CC1 ZINC000264383736 203892206 /nfs/dbraw/zinc/89/22/06/203892206.db2.gz VBNNRJQHFJWNHS-CYBMUJFWSA-N 0 3 319.474 3.027 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccs2)CC1 ZINC000171553082 432144284 /nfs/dbraw/zinc/14/42/84/432144284.db2.gz BLQSPUCRRANBDT-CYBMUJFWSA-N 0 3 307.463 3.149 10 30 DGEEHN N#Cc1cccc(O[C@@H](CN)c2ccccc2Br)c1 ZINC000043094850 183337357 /nfs/dbraw/zinc/33/73/57/183337357.db2.gz IVJKKPJNZLDCMH-HNNXBMFYSA-N 0 3 317.186 3.400 10 30 DGEEHN C=C(C)COc1cccc(NC(=O)N[C@H]2CCCN(CC)C2)c1 ZINC000067320895 400162455 /nfs/dbraw/zinc/16/24/55/400162455.db2.gz DGFYCKRAGXCQBH-INIZCTEOSA-N 0 3 317.433 3.247 10 30 DGEEHN C=C[C@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617011933 400274728 /nfs/dbraw/zinc/27/47/28/400274728.db2.gz PJCFSUAVDKUBSF-WBVHZDCISA-N 0 3 300.446 3.335 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000125792067 400485698 /nfs/dbraw/zinc/48/56/98/400485698.db2.gz SMFXPRRAHNUPCB-SFHVURJKSA-N 0 3 315.461 3.259 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000076946194 400681652 /nfs/dbraw/zinc/68/16/52/400681652.db2.gz UAQLNNQRYNZIKR-SFHVURJKSA-N 0 3 315.461 3.431 10 30 DGEEHN CN(C)Cc1cccc([C@@H]2CCc3cc(C(=O)NO)ccc3C2)c1 ZINC000166083532 400754374 /nfs/dbraw/zinc/75/43/74/400754374.db2.gz IVSIETOYCFQVOE-MRXNPFEDSA-N 0 3 324.424 3.140 10 30 DGEEHN N#Cc1ccc(CN[C@H]2Cc3[nH]c4ccccc4c3C2)c(F)c1 ZINC000619672701 400881884 /nfs/dbraw/zinc/88/18/84/400881884.db2.gz QADOPGQGJPYFJN-CQSZACIVSA-N 0 3 305.356 3.436 10 30 DGEEHN C=CCOCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000614246412 400862223 /nfs/dbraw/zinc/86/22/23/400862223.db2.gz MXOHRGAAYNEACJ-UHFFFAOYSA-N 0 3 315.369 3.025 10 30 DGEEHN C=CCCCCCN(C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000624782897 400949894 /nfs/dbraw/zinc/94/98/94/400949894.db2.gz CBPQUJHZEMHNBF-KRWDZBQOSA-N 0 3 307.482 3.391 10 30 DGEEHN CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)CCCCC#N ZINC000594428385 401063755 /nfs/dbraw/zinc/06/37/55/401063755.db2.gz YOXBOEBKMVHYQD-LBPRGKRZSA-N 0 3 313.854 3.161 10 30 DGEEHN C=CC[C@H]1CCN(Cc2cn3cc(Br)ccc3n2)C1 ZINC000625703562 401188413 /nfs/dbraw/zinc/18/84/13/401188413.db2.gz NATHSESMLMVROI-LBPRGKRZSA-N 0 3 320.234 3.495 10 30 DGEEHN C=CCOc1c(Cl)cc(CN[C@@H](C)COCC)cc1OC ZINC000623496906 401532433 /nfs/dbraw/zinc/53/24/33/401532433.db2.gz PQIICCRBKZNVAB-LBPRGKRZSA-N 0 3 313.825 3.428 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000623814456 401582313 /nfs/dbraw/zinc/58/23/13/401582313.db2.gz GDICWDSLFGUJQU-KBAYOESNSA-N 0 3 313.445 3.039 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000624544322 401669902 /nfs/dbraw/zinc/66/99/02/401669902.db2.gz MLHFAPCXDFGVOU-NVXWUHKLSA-N 0 3 305.466 3.001 10 30 DGEEHN CC1(C)CN(C[C@@H](O)c2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000190960559 165222151 /nfs/dbraw/zinc/22/21/51/165222151.db2.gz UMWNXHDFSLCYFX-QGZVFWFLSA-N 0 3 314.429 3.015 10 30 DGEEHN CCn1cc(C2CCN(CCOc3cccc(C#N)c3)CC2)cn1 ZINC000195500971 165371646 /nfs/dbraw/zinc/37/16/46/165371646.db2.gz MUOFXTTZGGGOMO-UHFFFAOYSA-N 0 3 324.428 3.033 10 30 DGEEHN N#Cc1ccc(N2CCCN(C3CC3)CC2)cc1C(F)(F)F ZINC000171831549 432177525 /nfs/dbraw/zinc/17/75/25/432177525.db2.gz UTEWPQYVQVGARZ-UHFFFAOYSA-N 0 3 309.335 3.252 10 30 DGEEHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000182610849 228369081 /nfs/dbraw/zinc/36/90/81/228369081.db2.gz XUWHXTZBXYTURH-HNNXBMFYSA-N 0 3 315.461 3.397 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000330242015 228983999 /nfs/dbraw/zinc/98/39/99/228983999.db2.gz FYNJMVBGRQAPRB-TZTCFGBESA-N 0 3 310.344 3.098 10 30 DGEEHN N#Cc1ccc(CN[C@@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000151259744 432233314 /nfs/dbraw/zinc/23/33/14/432233314.db2.gz BQIOOXMWSLVUII-LLVKDONJSA-N 0 3 318.833 3.037 10 30 DGEEHN CC#CCNC1(c2ccc(Br)cc2)CCOCC1 ZINC000172757900 432234281 /nfs/dbraw/zinc/23/42/81/432234281.db2.gz OIUITUDCTCHGGA-UHFFFAOYSA-N 0 3 308.219 3.068 10 30 DGEEHN C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@@H]1n1ccnc1 ZINC000129437780 274300942 /nfs/dbraw/zinc/30/09/42/274300942.db2.gz UHENEZVIMGOORC-QAPCUYQASA-N 0 3 313.832 3.471 10 30 DGEEHN CCOCCN1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1CC ZINC000118398149 431603069 /nfs/dbraw/zinc/60/30/69/431603069.db2.gz XZWKDHJEEQEWRX-QFBILLFUSA-N 0 3 315.461 3.052 10 30 DGEEHN CCOCCN1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1CC ZINC000118398151 431604111 /nfs/dbraw/zinc/60/41/11/431604111.db2.gz XZWKDHJEEQEWRX-LPHOPBHVSA-N 0 3 315.461 3.052 10 30 DGEEHN CCCCCCCCCCCCCC[C@H](O)[C@@H](O)[C@@H](N)CO ZINC000032789853 431793308 /nfs/dbraw/zinc/79/33/08/431793308.db2.gz AERBNCYCJBRYDG-BZSNNMDCSA-N 0 3 317.514 3.119 10 30 DGEEHN N#Cc1ccc2ncc(CN[C@@H]3CCCc4ccccc43)n2c1 ZINC000123139147 431856462 /nfs/dbraw/zinc/85/64/62/431856462.db2.gz VCUJCPZXOZBBME-GOSISDBHSA-N 0 3 302.381 3.373 10 30 DGEEHN CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@H](N)CO ZINC000044431640 431873645 /nfs/dbraw/zinc/87/36/45/431873645.db2.gz AERBNCYCJBRYDG-FGTMMUONSA-N 0 3 317.514 3.119 10 30 in-vitro DGEEHN N#CCCCOc1cccc(CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000092810781 431912404 /nfs/dbraw/zinc/91/24/04/431912404.db2.gz DFCBHYKNLOBSAB-UHFFFAOYSA-N 0 3 324.428 3.472 10 30 DGEEHN COc1ccc(C#N)cc1CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000127710028 431979590 /nfs/dbraw/zinc/97/95/90/431979590.db2.gz AQVNARMFWRGDKT-SJORKVTESA-N 0 3 310.401 3.037 10 30 DGEEHN COc1cc(C#N)ccc1CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000128071806 431987590 /nfs/dbraw/zinc/98/75/90/431987590.db2.gz KSGJZOVJEYSEDQ-IRXDYDNUSA-N 0 3 310.401 3.037 10 30 DGEEHN C[C@@H](NCC#Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000192154180 432338624 /nfs/dbraw/zinc/33/86/24/432338624.db2.gz SJRJYVKECWXZGM-MRXNPFEDSA-N 0 3 320.392 3.346 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248712528 432312399 /nfs/dbraw/zinc/31/23/99/432312399.db2.gz BKYTWFNTZPIRDG-SJLPKXTDSA-N 0 3 315.461 3.115 10 30 DGEEHN C#Cc1cccc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000252801416 432389142 /nfs/dbraw/zinc/38/91/42/432389142.db2.gz JMGLJQSTUBZCDK-RBUKOAKNSA-N 0 3 319.408 3.235 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000185307560 432488748 /nfs/dbraw/zinc/48/87/48/432488748.db2.gz UCLVALNPBGKIKT-CQSZACIVSA-N 0 3 324.415 3.457 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000186149163 432561693 /nfs/dbraw/zinc/56/16/93/432561693.db2.gz UCOXUOOMYUVHHC-CQSZACIVSA-N 0 3 304.438 3.081 10 30 DGEEHN CCC(C)(C)[C@@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000156734198 432605544 /nfs/dbraw/zinc/60/55/44/432605544.db2.gz KIDYFCKNSVMACX-HNNXBMFYSA-N 0 3 305.466 3.230 10 30 DGEEHN COc1ccsc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000186217888 432570016 /nfs/dbraw/zinc/57/00/16/432570016.db2.gz LISNTSITPNTWSC-LBPRGKRZSA-N 0 3 302.399 3.358 10 30 DGEEHN CC(C)(C)OC(=O)NCC(C)(C)NCc1ccc(C#N)s1 ZINC000176962262 432570693 /nfs/dbraw/zinc/57/06/93/432570693.db2.gz CQOVUBJQWRULSO-UHFFFAOYSA-N 0 3 309.435 3.013 10 30 DGEEHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000186323725 432583285 /nfs/dbraw/zinc/58/32/85/432583285.db2.gz KCXHCZIIOUUTQB-OAHLLOKOSA-N 0 3 317.396 3.298 10 30 DGEEHN C=C(C)CN(C)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000157487491 432622325 /nfs/dbraw/zinc/62/23/25/432622325.db2.gz UWUQHRPWPLANQJ-LJQANCHMSA-N 0 3 315.461 3.259 10 30 DGEEHN C=CC[C@H](CO)N[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000186707715 432623625 /nfs/dbraw/zinc/62/36/25/432623625.db2.gz GLVXDFAHIINSFH-BXUZGUMPSA-N 0 3 303.431 3.101 10 30 DGEEHN CN(Cc1cnc2ccc(C#N)cn12)CC1(c2ccccc2)CC1 ZINC000188714919 432742261 /nfs/dbraw/zinc/74/22/61/432742261.db2.gz YNLDSWXHQRYWQX-UHFFFAOYSA-N 0 3 316.408 3.370 10 30 DGEEHN C=C(C)CCN1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000277274817 432833671 /nfs/dbraw/zinc/83/36/71/432833671.db2.gz RXBVFXHCHIEMHG-UHFFFAOYSA-N 0 3 308.447 3.465 10 30 DGEEHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245941170 432871329 /nfs/dbraw/zinc/87/13/29/432871329.db2.gz AUMOUFDVQMYKIF-RHSMWYFYSA-N 0 3 321.428 3.425 10 30 DGEEHN COc1ccc(CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1C#N ZINC000245653242 432852840 /nfs/dbraw/zinc/85/28/40/432852840.db2.gz NLSCIEPMAGNTCK-UYAOXDASSA-N 0 3 321.424 3.102 10 30 DGEEHN Cc1ccc(C)c(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000330258841 432900731 /nfs/dbraw/zinc/90/07/31/432900731.db2.gz MUKWMIAOWZYDEV-YSVLISHTSA-N 0 3 302.418 3.437 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000330270452 432901083 /nfs/dbraw/zinc/90/10/83/432901083.db2.gz UFDSZQRUQRCKNG-IYVPYFHTSA-N 0 3 320.408 3.389 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(Cl)c1 ZINC000330273266 432902454 /nfs/dbraw/zinc/90/24/54/432902454.db2.gz YXOKGTWRWOZXRM-VQISRLSMSA-N 0 3 308.809 3.474 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425015583 433077116 /nfs/dbraw/zinc/07/71/16/433077116.db2.gz VUEKZTPLQVTSGE-NZSAHSFTSA-N 0 3 312.457 3.322 10 30 DGEEHN C=CCC[C@@H](CO)N[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453355474 433115129 /nfs/dbraw/zinc/11/51/29/433115129.db2.gz MHPOHUBBICXNDU-SWLSCSKDSA-N 0 3 314.351 3.395 10 30 DGEEHN Cc1cc(C(C#N)C(=O)c2cn(C)c3ccc(F)cc23)nc(C)n1 ZINC000361660687 433324260 /nfs/dbraw/zinc/32/42/60/433324260.db2.gz CIUFVBDEQSLWKY-CQSZACIVSA-N 0 3 322.343 3.214 10 30 DGEEHN N#Cc1ccnc(NC[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000341939528 433373103 /nfs/dbraw/zinc/37/31/03/433373103.db2.gz ZXXUZHXSMJDNGI-SFHVURJKSA-N 0 3 306.413 3.420 10 30 DGEEHN C=CCCCNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000448389832 433403503 /nfs/dbraw/zinc/40/35/03/433403503.db2.gz PMDVZEVTEJILCR-UHFFFAOYSA-N 0 3 303.450 3.162 10 30 DGEEHN CC(C)(C#N)CCCCN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375467720 433470482 /nfs/dbraw/zinc/47/04/82/433470482.db2.gz ZARUGNNKVSBKEZ-AWEZNQCLSA-N 0 3 302.422 3.456 10 30 DGEEHN Cc1cc(NC[C@H](C)N2CCc3ccccc3C2)c(C#N)c(C)n1 ZINC000301797219 433728572 /nfs/dbraw/zinc/72/85/72/433728572.db2.gz UEAHEUZHLTVLNB-HNNXBMFYSA-N 0 3 320.440 3.429 10 30 DGEEHN CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000285164941 433919261 /nfs/dbraw/zinc/91/92/61/433919261.db2.gz PUSPWTHTLICPAV-PKOBYXMFSA-N 0 3 313.445 3.097 10 30 DGEEHN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(F)c2ccccc21 ZINC000294369685 434103658 /nfs/dbraw/zinc/10/36/58/434103658.db2.gz QUOKQKGLKDWDCH-ZDUSSCGKSA-N 0 3 321.417 3.230 10 30 DGEEHN C[C@@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000379752331 434264858 /nfs/dbraw/zinc/26/48/58/434264858.db2.gz OKYSZZPKUMSENB-AWEZNQCLSA-N 0 3 324.384 3.399 10 30 DGEEHN Cc1cn2c(n1)[C@H](CNC(=O)[C@H](C)N1CCCCCC1)CCC2 ZINC000328645071 434293951 /nfs/dbraw/zinc/29/39/51/434293951.db2.gz GGHDTVJJYCDFTD-HOTGVXAUSA-N 0 3 318.465 3.290 10 30 DGEEHN C[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000328770598 434310444 /nfs/dbraw/zinc/31/04/44/434310444.db2.gz GTJTUQLEXZGKOZ-RDBSUJKOSA-N 0 3 318.465 3.188 10 30 DGEEHN CC(C)(C)c1cn2c(n1)CC[C@@H](NC([O-])=[NH+]C1CCCCC1)C2 ZINC000329236890 434379501 /nfs/dbraw/zinc/37/95/01/434379501.db2.gz OQZAOCPVSZJVLE-CQSZACIVSA-N 0 3 318.465 3.332 10 30 DGEEHN C[C@@H]1CC[C@@]2(CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000366342598 434394877 /nfs/dbraw/zinc/39/48/77/434394877.db2.gz OOLWVZVKEYFOPM-XFQXTVEOSA-N 0 3 321.424 3.279 10 30 DGEEHN C[C@@H](NC[C@H](c1ccco1)N(C)C)c1ccc(C#N)cc1F ZINC000358577808 434397965 /nfs/dbraw/zinc/39/79/65/434397965.db2.gz VGYDPMMXWSZCFI-MLGOLLRUSA-N 0 3 301.365 3.244 10 30 DGEEHN C[C@@H](O)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000438984170 434552953 /nfs/dbraw/zinc/55/29/53/434552953.db2.gz JRWFIPLWNVTVEX-OAHLLOKOSA-N 0 3 312.388 3.470 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000424294290 434679407 /nfs/dbraw/zinc/67/94/07/434679407.db2.gz KGUXCYLMWDKZEL-XUJVJEKNSA-N 0 3 309.381 3.085 10 30 DGEEHN C=CCS(=O)(=O)CCN[C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000371743424 434745264 /nfs/dbraw/zinc/74/52/64/434745264.db2.gz ITQDVVVHLWPQHL-QZTJIDSGSA-N 0 3 321.486 3.293 10 30 DGEEHN C=CCOc1ccc(-c2nnc(SC[C@H](C)N(C)C)o2)cc1 ZINC000479089797 435318634 /nfs/dbraw/zinc/31/86/34/435318634.db2.gz JVTQRKAKXRSPLG-LBPRGKRZSA-N 0 3 319.430 3.344 10 30 DGEEHN C=CCCCN(C)Cc1cn2ccc(Br)cc2n1 ZINC000572084716 435778273 /nfs/dbraw/zinc/77/82/73/435778273.db2.gz ALAAUGUCTDJVOC-UHFFFAOYSA-N 0 3 308.223 3.495 10 30 DGEEHN N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]1CCCCN1C1CC1 ZINC000577016531 316192940 /nfs/dbraw/zinc/19/29/40/316192940.db2.gz LTTYRUHYGZXNMY-ZDUSSCGKSA-N 0 3 324.350 3.401 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000185053354 337201509 /nfs/dbraw/zinc/20/15/09/337201509.db2.gz QRAAFUGAUUFRGC-FUHWJXTLSA-N 0 3 300.446 3.370 10 30 DGEEHN C=CC[C@@H](Cc1ccccc1)NC(=O)CCN(C)c1ccncc1 ZINC000583071475 337235768 /nfs/dbraw/zinc/23/57/68/337235768.db2.gz TZQSFGCMSVGDMD-SFHVURJKSA-N 0 3 323.440 3.212 10 30 DGEEHN C=CCOc1ccccc1CN1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000499255735 340033415 /nfs/dbraw/zinc/03/34/15/340033415.db2.gz ZEFOQCXLAXHWBI-IRXDYDNUSA-N 0 3 303.446 3.480 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000499255280 340033567 /nfs/dbraw/zinc/03/35/67/340033567.db2.gz MYVHXITXQKLUSK-MSOLQXFVSA-N 0 3 303.446 3.480 10 30 DGEEHN C=C(C)CCN1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000509365350 340267454 /nfs/dbraw/zinc/26/74/54/340267454.db2.gz IZSKHDFJJUIZTR-KRWDZBQOSA-N 0 3 314.429 3.381 10 30 DGEEHN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2ccc(C)cc2)C1 ZINC000544192048 341073979 /nfs/dbraw/zinc/07/39/79/341073979.db2.gz WPYZPEXAVNUVAX-SFHVURJKSA-N 0 3 300.446 3.209 10 30 DGEEHN C=CCOc1cccc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000544609298 341088655 /nfs/dbraw/zinc/08/86/55/341088655.db2.gz KKSDGVWKULAIAH-QZTJIDSGSA-N 0 3 303.446 3.480 10 30 DGEEHN C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000184648145 533824951 /nfs/dbraw/zinc/82/49/51/533824951.db2.gz NBIFXIZHEZVBPK-NSHDSACASA-N 0 3 305.809 3.318 10 30 DGEEHN C=CCc1cc(CN2CCC[C@@]3(CCOC3)C2)cc(OC)c1O ZINC000449687807 534412698 /nfs/dbraw/zinc/41/26/98/534412698.db2.gz RFGVYILGNDFAQX-LJQANCHMSA-N 0 3 317.429 3.132 10 30 DGEEHN CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@@H](N)CO ZINC000032789859 520007737 /nfs/dbraw/zinc/00/77/37/520007737.db2.gz AERBNCYCJBRYDG-OKZBNKHCSA-N 0 3 317.514 3.119 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1NCCOc1c(Cl)cccc1Cl ZINC000451594090 534609084 /nfs/dbraw/zinc/60/90/84/534609084.db2.gz AEDJVHAUAXYBFJ-OLZOCXBDSA-N 0 3 302.201 3.305 10 30 DGEEHN C=CCCCC[C@H](C)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000449241174 534697413 /nfs/dbraw/zinc/69/74/13/534697413.db2.gz RSCNOYVODUJODE-RDJZCZTQSA-N 0 3 301.434 3.302 10 30 DGEEHN C=C(C)CN1CCC(NCc2ncc(C(F)(F)F)s2)CC1 ZINC000433309821 526605086 /nfs/dbraw/zinc/60/50/86/526605086.db2.gz DIQKJFKJFCXKBA-UHFFFAOYSA-N 0 3 319.396 3.292 10 30 DGEEHN C#CCCOc1ccc(CN2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000180128462 526741511 /nfs/dbraw/zinc/74/15/11/526741511.db2.gz PQSMAWZYHWEAOU-LJQANCHMSA-N 0 3 323.440 3.258 10 30 DGEEHN C=C(C)[C@@H](N[C@H](CC)Cn1cncn1)c1ccc(F)c(F)c1 ZINC000340502639 526758145 /nfs/dbraw/zinc/75/81/45/526758145.db2.gz MCHIKOWNXFGVAB-CZUORRHYSA-N 0 3 306.360 3.242 10 30 DGEEHN C=CCOc1ccc(CN[C@@H](CC)[C@@H](O)C(F)(F)F)cc1 ZINC000345840221 526887888 /nfs/dbraw/zinc/88/78/88/526887888.db2.gz HSTCYBFUNGXLTA-UONOGXRCSA-N 0 3 303.324 3.043 10 30 DGEEHN C=CCC(C)(C)CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000432074349 527010081 /nfs/dbraw/zinc/01/00/81/527010081.db2.gz BTOJAUKMQNURQG-DLBZAZTESA-N 0 3 315.461 3.333 10 30 DGEEHN C=CCCCN(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000346892951 527188739 /nfs/dbraw/zinc/18/87/39/527188739.db2.gz KLDASZQMYWWNDX-QGZVFWFLSA-N 0 3 318.436 3.462 10 30 DGEEHN C=CCc1cc(CN2CCC[C@@H]3COCC[C@H]32)cc(OC)c1O ZINC000355116067 527237286 /nfs/dbraw/zinc/23/72/86/527237286.db2.gz SAGQTJPLABYPIH-IAGOWNOFSA-N 0 3 317.429 3.130 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNC(=O)c1nc(C)sc1C)C(C)C ZINC000337401613 527647498 /nfs/dbraw/zinc/64/74/98/527647498.db2.gz RDHOAAIFWLJDIH-HNNXBMFYSA-N 0 3 321.490 3.188 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@@H](F)C1)C(C)C ZINC000424654076 527650311 /nfs/dbraw/zinc/65/03/11/527650311.db2.gz HRJNBFOEAPHWDG-BRWVUGGUSA-N 0 3 310.457 3.330 10 30 DGEEHN C=CCOc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1 ZINC000305184162 546443378 /nfs/dbraw/zinc/44/33/78/546443378.db2.gz SVZFWCKCKOYNFX-FQEVSTJZSA-N 0 3 309.409 3.175 10 30 DGEEHN CCc1nccn1[C@H]1CCCN(C([O-])=[NH+]CC2CCCC2)C1 ZINC000329579018 546487761 /nfs/dbraw/zinc/48/77/61/546487761.db2.gz KRQJYRKOVZCCRW-HNNXBMFYSA-N 0 3 304.438 3.187 10 30 DGEEHN CCc1cc(C)c(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000128722071 625177299 /nfs/dbraw/zinc/17/72/99/625177299.db2.gz RWASKBAUYNYFKK-HNNXBMFYSA-N 0 3 310.353 3.420 10 30 DGEEHN CC(C)(C)OC(=O)NC1CCC(N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000218106898 627104288 /nfs/dbraw/zinc/10/42/88/627104288.db2.gz XKAIXGRMLLZZIF-URGYJCLVSA-N 0 3 307.438 3.104 10 30 DGEEHN CC(C)[C@H](CNC(=O)OC(C)(C)C)CN[C@H]1CCC[C@H]1C#N ZINC000300241399 627263239 /nfs/dbraw/zinc/26/32/39/627263239.db2.gz IZMSMKWMHTYMOE-KKUMJFAQSA-N 0 3 309.454 3.065 10 30 DGEEHN CC(C)[C@H](CNC(=O)OC(C)(C)C)CN[C@@H]1CCC[C@H]1C#N ZINC000300241401 627263285 /nfs/dbraw/zinc/26/32/85/627263285.db2.gz IZMSMKWMHTYMOE-SOUVJXGZSA-N 0 3 309.454 3.065 10 30 DGEEHN N#CC(C(=O)CCCOCCc1ccccc1)c1ccccn1 ZINC000069952416 660031053 /nfs/dbraw/zinc/03/10/53/660031053.db2.gz ZKUNEGNPCSNHSS-QGZVFWFLSA-N 0 3 308.381 3.297 10 30 DGEEHN CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)C(C)(C)C#N ZINC000719962015 662300172 /nfs/dbraw/zinc/30/01/72/662300172.db2.gz LPJXLZJXTJRWJN-KRWDZBQOSA-N 0 3 313.445 3.049 10 30 DGEEHN C=CCSCCNCc1ccc(OC)c(OC)c1Cl ZINC000223949652 1202588098 /nfs/dbraw/zinc/58/80/98/1202588098.db2.gz KSCDPEIDFPWTRQ-UHFFFAOYSA-N 0 3 301.839 3.366 10 30 DGEEHN C=CCOc1ccc(CNCc2cccc(CO)c2)cc1OC ZINC000237111630 1202647733 /nfs/dbraw/zinc/64/77/33/1202647733.db2.gz CTTTUIFTXAJXPV-UHFFFAOYSA-N 0 3 313.397 3.042 10 30 DGEEHN Cc1nsc(N[C@@H](C)CN(C)Cc2ccccc2)c1C#N ZINC000309930029 231106915 /nfs/dbraw/zinc/10/69/15/231106915.db2.gz YSNOJDPDYFVONN-LBPRGKRZSA-N 0 3 300.431 3.256 10 30 DGEEHN Cc1cccc(NC[C@H]2CCN(Cc3cc(C#N)cs3)C2)n1 ZINC000092813382 185343275 /nfs/dbraw/zinc/34/32/75/185343275.db2.gz BHTXCKGQCNTSFI-CQSZACIVSA-N 0 3 312.442 3.257 10 30 DGEEHN CN(CCC#N)c1ccc(CN2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131921490 432041935 /nfs/dbraw/zinc/04/19/35/432041935.db2.gz HBHTZCKMNSMYDO-IBGZPJMESA-N 0 3 323.444 3.107 10 30 DGEEHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000281216188 216160062 /nfs/dbraw/zinc/16/00/62/216160062.db2.gz KAUUKZOGGIOLET-CGTJXYLNSA-N 0 3 302.393 3.213 10 30 DGEEHN CCS[C@@H]1CCCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093361763 193238130 /nfs/dbraw/zinc/23/81/30/193238130.db2.gz GJIAIMRSHMEYDV-MRXNPFEDSA-N 0 3 314.458 3.314 10 30 DGEEHN CCCN(Cc1cc(C#N)ccc1OC)C[C@@H]1CCCCO1 ZINC000120869454 284180466 /nfs/dbraw/zinc/18/04/66/284180466.db2.gz AEUFXWZFFVHUPI-KRWDZBQOSA-N 0 3 302.418 3.348 10 30 DGEEHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cc(C#N)cn1C ZINC000128604904 284380657 /nfs/dbraw/zinc/38/06/57/284380657.db2.gz DVXBPGCIDIVMNM-UHFFFAOYSA-N 0 3 322.412 3.053 10 30 DGEEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000246452406 432133195 /nfs/dbraw/zinc/13/31/95/432133195.db2.gz OTEJHHABEZHKNI-IAQYHMDHSA-N 0 3 320.824 3.062 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccccc1)C(C)C ZINC000496014420 246342291 /nfs/dbraw/zinc/34/22/91/246342291.db2.gz OVBBEKOIELYPDS-GOSISDBHSA-N 0 3 300.446 3.044 10 30 DGEEHN COc1cccc2c1OC[C@H](N[C@@H](C)c1ccc(C#N)s1)C2 ZINC000181680108 432141305 /nfs/dbraw/zinc/14/13/05/432141305.db2.gz CFFSFIKMDCQTAG-WCQYABFASA-N 0 3 314.410 3.283 10 30 DGEEHN CCc1nccn1[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000106212613 194190197 /nfs/dbraw/zinc/19/01/97/194190197.db2.gz BVEQNVOFNKSFNT-QGZVFWFLSA-N 0 3 324.428 3.033 10 30 DGEEHN CN1CC[C@@H](CNC(=O)CCc2ccoc2)[C@@H]1c1cccnc1 ZINC000328614568 400182597 /nfs/dbraw/zinc/18/25/97/400182597.db2.gz AKDOGVQYOATUQY-WMZOPIPTSA-N 0 3 313.401 3.257 10 30 DGEEHN C=CCOc1ccc(CN2CCC[C@@H](c3nc(C)no3)C2)cc1 ZINC000091832174 400139194 /nfs/dbraw/zinc/13/91/94/400139194.db2.gz OHPKBMVKCDEQIW-MRXNPFEDSA-N 0 3 313.401 3.322 10 30 DGEEHN CC(C)(C#N)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601729750 400341191 /nfs/dbraw/zinc/34/11/91/400341191.db2.gz YFVBOWHMYONGAC-KRWDZBQOSA-N 0 3 313.445 3.097 10 30 DGEEHN C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc2ccccc2c1 ZINC000123185024 400466100 /nfs/dbraw/zinc/46/61/00/400466100.db2.gz JBRWTSUUHRZIDB-JLTOFOAXSA-N 0 3 321.424 3.299 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000076952774 400681609 /nfs/dbraw/zinc/68/16/09/400681609.db2.gz DJNZECSKBLDOHY-AEFFLSMTSA-N 0 3 315.461 3.430 10 30 DGEEHN C=CC1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000179267739 400877411 /nfs/dbraw/zinc/87/74/11/400877411.db2.gz UGNIPNKVMZPTHC-ROUUACIJSA-N 0 3 313.445 3.039 10 30 DGEEHN N#Cc1ccc(CNCc2ccc(-n3cncn3)cc2)cc1Cl ZINC000619748573 400898683 /nfs/dbraw/zinc/89/86/83/400898683.db2.gz IWKVXCPTVZEEDV-UHFFFAOYSA-N 0 3 323.787 3.082 10 30 DGEEHN C=C1CC(C)(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000630578564 401291125 /nfs/dbraw/zinc/29/11/25/401291125.db2.gz JQUYVGZKODHLKB-AWEZNQCLSA-N 0 3 304.459 3.358 10 30 DGEEHN C=CCOc1ccc(CNCC[C@@H](O)C(F)F)cc1Cl ZINC000631216362 401428990 /nfs/dbraw/zinc/42/89/90/401428990.db2.gz ISJGWGWMKARNAR-GFCCVEGCSA-N 0 3 305.752 3.011 10 30 DGEEHN C=C1CC(C)(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)C1 ZINC000631595527 401509336 /nfs/dbraw/zinc/50/93/36/401509336.db2.gz BUKXUNWIIOGXIZ-QGZVFWFLSA-N 0 3 312.457 3.466 10 30 DGEEHN C=CCOc1c(Cl)cc(CN[C@@H](C)[C@@H](C)CO)cc1OC ZINC000623427510 401514821 /nfs/dbraw/zinc/51/48/21/401514821.db2.gz BMHIMXDSBIZMBM-RYUDHWBXSA-N 0 3 313.825 3.020 10 30 DGEEHN C=CC(C)(C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000623814150 401582468 /nfs/dbraw/zinc/58/24/68/401582468.db2.gz BMHQRPKAWYFTHV-DLBZAZTESA-N 0 3 315.461 3.333 10 30 DGEEHN C=CC(C)(C)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000623814152 401582607 /nfs/dbraw/zinc/58/26/07/401582607.db2.gz BMHQRPKAWYFTHV-IRXDYDNUSA-N 0 3 315.461 3.333 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C/C=C/C)C2)CC1 ZINC000623635099 401559626 /nfs/dbraw/zinc/55/96/26/401559626.db2.gz URWAHHVGBKDNSM-LLCTXKFZSA-N 0 3 305.466 3.025 10 30 DGEEHN C=CC[C@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000624544323 401670113 /nfs/dbraw/zinc/67/01/13/401670113.db2.gz MLHFAPCXDFGVOU-RDJZCZTQSA-N 0 3 305.466 3.001 10 30 DGEEHN Cc1ccc(N2CCC(NCc3ccc(C#N)s3)CC2)nc1 ZINC000176975038 164794728 /nfs/dbraw/zinc/79/47/28/164794728.db2.gz LBYOFFKTRMJXTP-UHFFFAOYSA-N 0 3 312.442 3.082 10 30 DGEEHN N#Cc1ccccc1Cn1cccc1CN1CC[C@]2(CCOC2)C1 ZINC000187420467 165089767 /nfs/dbraw/zinc/08/97/67/165089767.db2.gz HWMAKPOKZJOQDK-FQEVSTJZSA-N 0 3 321.424 3.020 10 30 DGEEHN CCn1cc(C2CCN(CCOc3ccccc3C#N)CC2)cn1 ZINC000195500897 165372487 /nfs/dbraw/zinc/37/24/87/165372487.db2.gz JXMYBDLQJXMYOE-UHFFFAOYSA-N 0 3 324.428 3.033 10 30 DGEEHN N#Cc1ccc(CN2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)o1 ZINC000365618466 287154246 /nfs/dbraw/zinc/15/42/46/287154246.db2.gz POXAYJGHXAIVMD-GUYCJALGSA-N 0 3 316.788 3.013 10 30 DGEEHN Cc1nc(CN2CCCN(CC(C)(C)CCC#N)CC2)cs1 ZINC000157264336 228232776 /nfs/dbraw/zinc/23/27/76/228232776.db2.gz AKGDGHXRALTMEI-UHFFFAOYSA-N 0 3 320.506 3.289 10 30 DGEEHN N#C[C@@H]1CCC[C@H](NCc2ccc(Cn3ccccc3=O)cc2)C1 ZINC000185795223 228397658 /nfs/dbraw/zinc/39/76/58/228397658.db2.gz CFZSPPCOZQIHGP-MOPGFXCFSA-N 0 3 321.424 3.069 10 30 DGEEHN C=CCN1CCC(Nc2nccn3nc(C4CCC4)cc23)CC1 ZINC000631109880 424829059 /nfs/dbraw/zinc/82/90/59/424829059.db2.gz UGPYAQDYABSREY-UHFFFAOYSA-N 0 3 311.433 3.059 10 30 DGEEHN C[C@H](COCC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358576484 267164845 /nfs/dbraw/zinc/16/48/45/267164845.db2.gz UDZXRZKXSZDXIS-ZJUUUORDSA-N 0 3 304.287 3.315 10 30 DGEEHN C[C@H](NCCCN(C)CC(F)(F)F)c1ccc(C#N)cc1F ZINC000358570709 267182346 /nfs/dbraw/zinc/18/23/46/267182346.db2.gz NYLGTFCLODMZQN-NSHDSACASA-N 0 3 317.330 3.232 10 30 DGEEHN C[C@H](NCCc1cn2ccccc2n1)c1ccc(C#N)cc1F ZINC000358569094 267182887 /nfs/dbraw/zinc/18/28/87/267182887.db2.gz LQKQGWKOSKNQBQ-ZDUSSCGKSA-N 0 3 308.360 3.238 10 30 DGEEHN N#Cc1ccncc1NC[C@H]1CCCCN1Cc1ccccc1 ZINC000354558546 268300525 /nfs/dbraw/zinc/30/05/25/268300525.db2.gz HSDCELOZRUGOCD-GOSISDBHSA-N 0 3 306.413 3.420 10 30 DGEEHN C=CCC[C@H](CN(C)Cc1cnccn1)Oc1ccnc(C)c1 ZINC000072481132 431336161 /nfs/dbraw/zinc/33/61/61/431336161.db2.gz PLBJBCITRJYZSZ-GOSISDBHSA-N 0 3 312.417 3.026 10 30 DGEEHN Cc1cc(C#N)cc(N2CC[C@H](C)N(Cc3ccccc3)CC2)n1 ZINC000342822944 280314133 /nfs/dbraw/zinc/31/41/33/280314133.db2.gz GGWDBKLXCIKBEE-KRWDZBQOSA-N 0 3 320.440 3.363 10 30 DGEEHN C=C(C)COc1cc(CN2CCC([C@@H](C)O)CC2)ccc1OC ZINC000092971038 431912212 /nfs/dbraw/zinc/91/22/12/431912212.db2.gz ZQYZOXUSEQJWBR-OAHLLOKOSA-N 0 3 319.445 3.243 10 30 DGEEHN COc1cc([C@H](C)NCCOc2ccc(C#N)cc2)ccc1F ZINC000090106844 431890088 /nfs/dbraw/zinc/89/00/88/431890088.db2.gz MJMCKLPNBZUHFZ-ZDUSSCGKSA-N 0 3 314.360 3.436 10 30 DGEEHN COc1ccc(C#N)cc1CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000127710240 431979119 /nfs/dbraw/zinc/97/91/19/431979119.db2.gz AQVNARMFWRGDKT-IRXDYDNUSA-N 0 3 310.401 3.037 10 30 DGEEHN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000248763598 432317356 /nfs/dbraw/zinc/31/73/56/432317356.db2.gz MXVNDKLQZSJNPN-UHOFOFEASA-N 0 3 319.364 3.166 10 30 DGEEHN CCN(C[C@@H]1CCN(CC#Cc2ccccc2)C1)CC(F)(F)F ZINC000192055372 432329504 /nfs/dbraw/zinc/32/95/04/432329504.db2.gz NRDVCLKMXIWRAO-KRWDZBQOSA-N 0 3 324.390 3.244 10 30 DGEEHN Cc1cc(CNCc2cnc3ccc(C#N)cn23)ccc1Cl ZINC000184334207 432379894 /nfs/dbraw/zinc/37/98/94/432379894.db2.gz DILVYTVVFIYWKN-UHFFFAOYSA-N 0 3 310.788 3.458 10 30 DGEEHN C=CCCCCCN1CCN(Cc2nccn2C(F)F)CC1 ZINC000193433640 432472513 /nfs/dbraw/zinc/47/25/13/432472513.db2.gz SCLSVGNTPJDCEK-UHFFFAOYSA-N 0 3 312.408 3.142 10 30 DGEEHN N#Cc1ccc2ncc(CNCc3ccc(C(F)F)cc3)n2c1 ZINC000185181636 432475177 /nfs/dbraw/zinc/47/51/77/432475177.db2.gz AMJAIEGWMYXPRD-UHFFFAOYSA-N 0 3 312.323 3.433 10 30 DGEEHN C=CCOc1cccc(NC(=O)N(C)C[C@H]2CCCN2CC)c1 ZINC000176324379 432512174 /nfs/dbraw/zinc/51/21/74/432512174.db2.gz PPACZMSZTXFPRS-MRXNPFEDSA-N 0 3 317.433 3.199 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194457256 432552508 /nfs/dbraw/zinc/55/25/08/432552508.db2.gz XQHUNQYPHQCHPJ-SFHVURJKSA-N 0 3 315.461 3.116 10 30 DGEEHN CCO[C@H](CNCc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000194470329 432553916 /nfs/dbraw/zinc/55/39/16/432553916.db2.gz RQDVUURNWYPFBL-GOSISDBHSA-N 0 3 320.396 3.073 10 30 DGEEHN Cc1cc(C#N)ccc1CN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000186317828 432581424 /nfs/dbraw/zinc/58/14/24/432581424.db2.gz JBLBEKPKNNSXDU-CQSZACIVSA-N 0 3 308.381 3.489 10 30 DGEEHN C=CC[C@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186700481 432624218 /nfs/dbraw/zinc/62/42/18/432624218.db2.gz NUCGRGQYFCYPSJ-GOEBONIOSA-N 0 3 306.425 3.404 10 30 DGEEHN C=CC[C@@H](CO)N[C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000186713842 432625600 /nfs/dbraw/zinc/62/56/00/432625600.db2.gz BRNZVZPXBMYORD-WFASDCNBSA-N 0 3 319.836 3.422 10 30 DGEEHN C=CC[C@H](CO)N[C@@H](C)c1ccc(Br)cc1F ZINC000188457639 432727319 /nfs/dbraw/zinc/72/73/19/432727319.db2.gz CCNLCNPVPITVSG-GXSJLCMTSA-N 0 3 302.187 3.176 10 30 DGEEHN C=CCCC[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000279056849 432930559 /nfs/dbraw/zinc/93/05/59/432930559.db2.gz DWBLFUCBZBFWKZ-UHFFFAOYSA-N 0 3 300.196 3.219 10 30 DGEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(Cl)c1 ZINC000330273263 432901978 /nfs/dbraw/zinc/90/19/78/432901978.db2.gz YXOKGTWRWOZXRM-COLVAYQJSA-N 0 3 308.809 3.474 10 30 DGEEHN C=C(C)C[C@H](C)c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000289951946 432981453 /nfs/dbraw/zinc/98/14/53/432981453.db2.gz BLYUXEHAJUJDLC-ZDUSSCGKSA-N 0 3 316.405 3.142 10 30 DGEEHN C=CCC[C@H](CO)N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453352102 433111387 /nfs/dbraw/zinc/11/13/87/433111387.db2.gz KVXXRYHFZADFAR-CRAIPNDOSA-N 0 3 311.429 3.166 10 30 DGEEHN CC(=O)c1ccc2c(c1)CCN(Cc1ccc(C#N)cc1)CC2 ZINC000374326788 433186602 /nfs/dbraw/zinc/18/66/02/433186602.db2.gz GNEJIWAEPPJHPZ-UHFFFAOYSA-N 0 3 304.393 3.362 10 30 DGEEHN C=CCc1cc(CN(C(C)C)[C@H]2CCOC2)cc(OC)c1O ZINC000291317066 433235407 /nfs/dbraw/zinc/23/54/07/433235407.db2.gz SFQCSZFRXNQFAQ-INIZCTEOSA-N 0 3 305.418 3.129 10 30 DGEEHN C[C@H](NCCN1CCCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000447576809 433235603 /nfs/dbraw/zinc/23/56/03/433235603.db2.gz CKLUTSGMIQYXBU-AWEZNQCLSA-N 0 3 303.425 3.470 10 30 DGEEHN C=CCCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000447990469 433341127 /nfs/dbraw/zinc/34/11/27/433341127.db2.gz RUJGXQFEAJCSTC-WBVHZDCISA-N 0 3 301.434 3.087 10 30 DGEEHN C=CCCCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000448385427 433402556 /nfs/dbraw/zinc/40/25/56/433402556.db2.gz SPOLGIMQXCYEJS-UHFFFAOYSA-N 0 3 303.450 3.034 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NCC2CCCCCC2)CC1 ZINC000454466963 433437232 /nfs/dbraw/zinc/43/72/32/433437232.db2.gz QPRCKIHNQIAZOP-UHFFFAOYSA-N 0 3 307.482 3.297 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NC2CC(C(C)(C)C)C2)CC1 ZINC000454462801 433439186 /nfs/dbraw/zinc/43/91/86/433439186.db2.gz KUZSAGSLBIXDJP-UHFFFAOYSA-N 0 3 307.482 3.151 10 30 DGEEHN N#Cc1ccc(NC[C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000301535839 433598780 /nfs/dbraw/zinc/59/87/80/433598780.db2.gz TYZLEFWBKGIGLU-IBGZPJMESA-N 0 3 306.413 3.420 10 30 DGEEHN C=CCC[C@H](CO)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449700997 433761740 /nfs/dbraw/zinc/76/17/40/433761740.db2.gz VFFBQEWVMXRVSB-MRXNPFEDSA-N 0 3 305.418 3.059 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000284565411 433897012 /nfs/dbraw/zinc/89/70/12/433897012.db2.gz YOIVLFQBEHFZRX-RHSMWYFYSA-N 0 3 304.434 3.016 10 30 DGEEHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000285100012 433920114 /nfs/dbraw/zinc/92/01/14/433920114.db2.gz LTKZOBPROUFCSN-LPHOPBHVSA-N 0 3 306.409 3.238 10 30 DGEEHN CN1CCC[C@@H](CNC(=O)CC(C)(C)C#N)[C@@H]1c1cccs1 ZINC000377461800 433885008 /nfs/dbraw/zinc/88/50/08/433885008.db2.gz BNCMIKUIRUGTRS-XJKSGUPXSA-N 0 3 319.474 3.187 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](N)[C@@H]1c1ccccc1OC ZINC000457357820 434122061 /nfs/dbraw/zinc/12/20/61/434122061.db2.gz BNPZCFIWRPXYOZ-ZVZYQTTQSA-N 0 3 316.445 3.288 10 30 DGEEHN C[C@@H](N[C@@H](C)CN1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358555418 434396111 /nfs/dbraw/zinc/39/61/11/434396111.db2.gz KYGNYSGTEYSUEM-QLFBSQMISA-N 0 3 303.425 3.468 10 30 DGEEHN CN(c1ccncc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000399461381 434479748 /nfs/dbraw/zinc/47/97/48/434479748.db2.gz RGBLAQGENQFDLB-SFHVURJKSA-N 0 3 306.413 3.054 10 30 DGEEHN C=CCC1(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)CCCC1 ZINC000459051501 434555035 /nfs/dbraw/zinc/55/50/35/434555035.db2.gz ORUNUPQCYWAUMY-INIZCTEOSA-N 0 3 305.466 3.001 10 30 DGEEHN C=C(C)CN1CCC(Nc2ncnc3c2CCCCC3)CC1 ZINC000439104494 434565037 /nfs/dbraw/zinc/56/50/37/434565037.db2.gz ADJHDLPUEHPRDO-UHFFFAOYSA-N 0 3 300.450 3.198 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@H](COC)c1cccc(Cl)c1F ZINC000424295922 434684072 /nfs/dbraw/zinc/68/40/72/434684072.db2.gz NTCFNSXMQIRBHM-GLQYFDAESA-N 0 3 313.800 3.347 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000412043190 434861642 /nfs/dbraw/zinc/86/16/42/434861642.db2.gz PMQQOLSJUADGJU-PKOBYXMFSA-N 0 3 316.420 3.028 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000412043188 434861656 /nfs/dbraw/zinc/86/16/56/434861656.db2.gz PMQQOLSJUADGJU-MJGOQNOKSA-N 0 3 316.420 3.028 10 30 DGEEHN C=CCN(CCc1ccco1)Cc1cc2ccccc2n(C)c1=O ZINC000573456019 434900949 /nfs/dbraw/zinc/90/09/49/434900949.db2.gz UNUMBEYHRGGQFF-UHFFFAOYSA-N 0 3 322.408 3.362 10 30 DGEEHN C=CCN1CCC(NC(=O)NCC[C@H]2CCCC2(C)C)CC1 ZINC000527768311 435015090 /nfs/dbraw/zinc/01/50/90/435015090.db2.gz KZNHJLNPXYJYJW-OAHLLOKOSA-N 0 3 307.482 3.152 10 30 DGEEHN C=CCc1cc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc(OC)c1O ZINC000527804175 435015654 /nfs/dbraw/zinc/01/56/54/435015654.db2.gz NINAYEULXXXQKU-XREXNNHRSA-N 0 3 305.418 3.031 10 30 DGEEHN C=C(CC)CN1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528714385 435028001 /nfs/dbraw/zinc/02/80/01/435028001.db2.gz GXTSCQDPEXCRAW-UHFFFAOYSA-N 0 3 319.449 3.184 10 30 DGEEHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)C12CCCC2 ZINC000574681681 434995630 /nfs/dbraw/zinc/99/56/30/434995630.db2.gz XKTWBDKDAWBMTM-ZWKOTPCHSA-N 0 3 314.429 3.394 10 30 DGEEHN Cc1ccc(NC(=O)Cc2cccc(C#N)c2)c(CN(C)C)c1 ZINC000531146535 435075257 /nfs/dbraw/zinc/07/52/57/435075257.db2.gz BYDMQDBLPKFISI-UHFFFAOYSA-N 0 3 307.397 3.110 10 30 DGEEHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CC[C@H]3C3CCC3)C2=O)cc1 ZINC000558695893 435106584 /nfs/dbraw/zinc/10/65/84/435106584.db2.gz IOVXNJSYOQZSCI-OTWHNJEPSA-N 0 3 323.440 3.222 10 30 DGEEHN C=CCOc1ccccc1CNCCc1nn(C)c2ccccc12 ZINC000479423504 435331937 /nfs/dbraw/zinc/33/19/37/435331937.db2.gz PWNTXZOJDXYFME-UHFFFAOYSA-N 0 3 321.424 3.470 10 30 DGEEHN C=CCCCCCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000568245785 435413458 /nfs/dbraw/zinc/41/34/58/435413458.db2.gz YHMSWUGUGVXXHV-KRWDZBQOSA-N 0 3 301.434 3.001 10 30 DGEEHN COc1ccccc1OCCN[C@H](C)c1ccc(C#N)cc1F ZINC000540976220 435629274 /nfs/dbraw/zinc/62/92/74/435629274.db2.gz XTCOPSSKTBSJPG-CYBMUJFWSA-N 0 3 314.360 3.436 10 30 DGEEHN CC1CCN([C@H](CN=c2cc[nH]cc2C#N)c2ccccc2)CC1 ZINC000548154527 435673703 /nfs/dbraw/zinc/67/37/03/435673703.db2.gz ZCNMBWKUSRKHNQ-HXUWFJFHSA-N 0 3 320.440 3.260 10 30 DGEEHN CCC[C@H]1CN(c2ccncc2C#N)CCN1Cc1ccccc1 ZINC000548490418 435698781 /nfs/dbraw/zinc/69/87/81/435698781.db2.gz VKBQILWLLUJKAB-IBGZPJMESA-N 0 3 320.440 3.444 10 30 DGEEHN COc1ccc([C@@H](C)NCCOc2ccccc2C#N)cc1F ZINC000182031265 323280312 /nfs/dbraw/zinc/28/03/12/323280312.db2.gz JCYVJBNBJQAWEG-CYBMUJFWSA-N 0 3 314.360 3.436 10 30 DGEEHN C=CC[C@H](C(=O)N[C@H]1CN(C(C)C)C[C@H]1C)c1ccccc1 ZINC000188530157 333371871 /nfs/dbraw/zinc/37/18/71/333371871.db2.gz LQOMNSPZZUPOMN-NJAFHUGGSA-N 0 3 300.446 3.191 10 30 DGEEHN C#Cc1ccc(CN[C@@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000368015937 336834721 /nfs/dbraw/zinc/83/47/21/336834721.db2.gz JNFSLPCDFXZIGI-MRXNPFEDSA-N 0 3 311.816 3.085 10 30 DGEEHN CCCCCCCCCNC(=O)[C@@H](N)Cc1ccc(OC)cc1 ZINC000584595903 337374024 /nfs/dbraw/zinc/37/40/24/337374024.db2.gz JSYWHBXTAMKDPF-SFHVURJKSA-N 0 3 320.477 3.432 10 30 DGEEHN C=CCN1CC[C@@H](N2CCCC[C@@H]2CCc2ccccc2)C1=O ZINC000499594414 340040154 /nfs/dbraw/zinc/04/01/54/340040154.db2.gz SVYYRSWQXATZSL-RTBURBONSA-N 0 3 312.457 3.261 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2Cc3ccccc3[C@H]2C)CC1 ZINC000543972543 341064661 /nfs/dbraw/zinc/06/46/61/341064661.db2.gz VTJJFSHSEBNZQV-OAHLLOKOSA-N 0 3 313.445 3.313 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(Cl)c1 ZINC000330273264 534009698 /nfs/dbraw/zinc/00/96/98/534009698.db2.gz YXOKGTWRWOZXRM-LKTVYLICSA-N 0 3 308.809 3.474 10 30 DGEEHN C=CCCCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000520501515 517325132 /nfs/dbraw/zinc/32/51/32/517325132.db2.gz ZFZCANNMBGULSN-GOSISDBHSA-N 0 3 315.461 3.397 10 30 DGEEHN C=C(CC)CNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000455516944 534409658 /nfs/dbraw/zinc/40/96/58/534409658.db2.gz DELGSHYXKGQBQY-GOEBONIOSA-N 0 3 321.490 3.396 10 30 DGEEHN C=CCCCNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000454878942 534726784 /nfs/dbraw/zinc/72/67/84/534726784.db2.gz UNDAGUGCENCRKH-KRWDZBQOSA-N 0 3 315.461 3.116 10 30 DGEEHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000318446091 534784114 /nfs/dbraw/zinc/78/41/14/534784114.db2.gz OWZQPKJOGIRRQU-NXHRZFHOSA-N 0 3 302.393 3.213 10 30 DGEEHN C=CCN1CCC(NC(=O)N(C)Cc2cc(C)cc(C)c2)CC1 ZINC000433904803 526423285 /nfs/dbraw/zinc/42/32/85/526423285.db2.gz UVTLEYMIZPNVOG-UHFFFAOYSA-N 0 3 315.461 3.095 10 30 DGEEHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCO[C@H](CC)C1 ZINC000348639806 526559956 /nfs/dbraw/zinc/55/99/56/526559956.db2.gz ZMCGMXJNRCGPHU-HZPDHXFCSA-N 0 3 307.434 3.355 10 30 DGEEHN C=C(C)COc1cc(CN(C)C[C@H]2CCCO2)ccc1OC ZINC000128125135 526658998 /nfs/dbraw/zinc/65/89/98/526658998.db2.gz ISXJWJPWQZPLPC-MRXNPFEDSA-N 0 3 305.418 3.261 10 30 DGEEHN C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000412584154 526703218 /nfs/dbraw/zinc/70/32/18/526703218.db2.gz WTSIGWBFXSORBH-CQSZACIVSA-N 0 3 320.433 3.176 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000185224202 526705885 /nfs/dbraw/zinc/70/58/85/526705885.db2.gz AANXPJKRTBJRDG-HNNXBMFYSA-N 0 3 306.425 3.318 10 30 DGEEHN C=CCOc1ccc(CN(C[C@H](C)C(=O)OC)C2CC2)cc1 ZINC000357217642 526863044 /nfs/dbraw/zinc/86/30/44/526863044.db2.gz VFEVRVVEAMCWGH-AWEZNQCLSA-N 0 3 303.402 3.025 10 30 DGEEHN C=CCOc1ccc(CN[C@H](CC)[C@H](O)C(F)(F)F)cc1 ZINC000345840219 526891044 /nfs/dbraw/zinc/89/10/44/526891044.db2.gz HSTCYBFUNGXLTA-KGLIPLIRSA-N 0 3 303.324 3.043 10 30 DGEEHN C=CC[C@H](CO)N[C@@H](C)c1ccc(Br)c(F)c1 ZINC000349750901 527210724 /nfs/dbraw/zinc/21/07/24/527210724.db2.gz XSVSONRFXOPWKC-GXSJLCMTSA-N 0 3 302.187 3.176 10 30 DGEEHN C=CC[C@H]1N(Cc2ccc(C(=O)OC)cn2)CCCC1(C)C ZINC000352405313 527226376 /nfs/dbraw/zinc/22/63/76/527226376.db2.gz HFDBNDJKWBRJEF-MRXNPFEDSA-N 0 3 302.418 3.435 10 30 DGEEHN CC(C)c1ccc([C@H](C)NCCC(=O)N(C)CCC#N)cc1 ZINC000179362903 528140322 /nfs/dbraw/zinc/14/03/22/528140322.db2.gz IZAWMJFSYFMMEJ-HNNXBMFYSA-N 0 3 301.434 3.223 10 30 DGEEHN CCOC[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177366661 528937532 /nfs/dbraw/zinc/93/75/32/528937532.db2.gz RITPJUJNXLSTEA-OAHLLOKOSA-N 0 3 311.347 3.415 10 30 DGEEHN COc1ccc2c(c1)[C@@H](NCCOc1ccc(C#N)cc1)CC2 ZINC000181154811 546154458 /nfs/dbraw/zinc/15/44/58/546154458.db2.gz AWASAVUBESZNJR-IBGZPJMESA-N 0 3 308.381 3.223 10 30 DGEEHN CCC(C#N)(CC)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000390796835 546755640 /nfs/dbraw/zinc/75/56/40/546755640.db2.gz KFPFTLJGWKYBPS-KRWDZBQOSA-N 0 3 313.445 3.049 10 30 DGEEHN C=CCCC(=O)OC[C@@H]1CCN(C)[C@H]1c1ccc(OC)cc1 ZINC000735902271 574721504 /nfs/dbraw/zinc/72/15/04/574721504.db2.gz DHKHRWYYYFAOHK-YJBOKZPZSA-N 0 3 303.402 3.197 10 30 DGEEHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000119301694 618624510 /nfs/dbraw/zinc/62/45/10/618624510.db2.gz QIPRWKAPKFRGTF-JKSUJKDBSA-N 0 3 306.409 3.142 10 30 DGEEHN C#CCCCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000119742364 621721546 /nfs/dbraw/zinc/72/15/46/621721546.db2.gz ZJNXIEAVNVWNFP-LJQANCHMSA-N 0 3 312.457 3.351 10 30 DGEEHN N#CC(C(=O)CCc1ccc(OC(F)F)cc1)c1ccccn1 ZINC000121982672 655798536 /nfs/dbraw/zinc/79/85/36/655798536.db2.gz RVLFQLYIMGYTHV-AWEZNQCLSA-N 0 3 316.307 3.492 10 30 DGEEHN C#CCOc1ccc(Br)cc1CN[C@@H]1CC12CC2 ZINC000715220847 661209378 /nfs/dbraw/zinc/20/93/78/661209378.db2.gz DMJLRNGZTVHBIF-CQSZACIVSA-N 0 3 306.203 3.103 10 30 DGEEHN C#CC[C@@H](COC)NCc1ccc(OCc2ccccc2)cc1 ZINC000716933543 661234104 /nfs/dbraw/zinc/23/41/04/661234104.db2.gz ITGVKDVCUFCAMD-IBGZPJMESA-N 0 3 309.409 3.394 10 30 DGEEHN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)N[C@H]1CCC[C@H]1C#N ZINC000299984116 656230867 /nfs/dbraw/zinc/23/08/67/656230867.db2.gz GODSWTNKNSVMMI-UGUYLWEFSA-N 0 3 321.465 3.446 10 30 DGEEHN N#CC(C(=O)CCCOc1ccc(F)cc1F)c1ccccn1 ZINC000067798236 658718404 /nfs/dbraw/zinc/71/84/04/658718404.db2.gz AOHPIJJHHZRGDA-ZDUSSCGKSA-N 0 3 316.307 3.395 10 30 DGEEHN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)O1 ZINC000248196556 662336673 /nfs/dbraw/zinc/33/66/73/662336673.db2.gz LFIPHZHLVFKZGM-PVUWLOKVSA-N 0 3 322.364 3.055 10 30 DGEEHN C=CCOc1ccccc1CNC[C@H](C)NC(=O)OC(C)(C)C ZINC000227675879 685117850 /nfs/dbraw/zinc/11/78/50/685117850.db2.gz SROOQJYXRRJFCP-AWEZNQCLSA-N 0 3 320.433 3.254 10 30 DGEEHN C#CCOc1ccc(Br)cc1CN[C@H]1CC1(C)C ZINC000044372125 1194276021 /nfs/dbraw/zinc/27/60/21/1194276021.db2.gz GEKQBJJEYZTEPW-AWEZNQCLSA-N 0 3 308.219 3.349 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000182073545 199383836 /nfs/dbraw/zinc/38/38/36/199383836.db2.gz ZOAVXDWWMZXKTO-MRXNPFEDSA-N 0 3 321.424 3.117 10 30 DGEEHN CN(CCC#N)c1ccc(CN2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131921685 432042037 /nfs/dbraw/zinc/04/20/37/432042037.db2.gz HBHTZCKMNSMYDO-LJQANCHMSA-N 0 3 323.444 3.107 10 30 DGEEHN C=CCOc1ccc(CN[C@H]2CCC[C@H]2C(=O)OCC)cc1 ZINC000449579482 240301718 /nfs/dbraw/zinc/30/17/18/240301718.db2.gz GNVWIRGMFJHEFY-SJORKVTESA-N 0 3 303.402 3.073 10 30 DGEEHN C=CCOCCNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451149255 241022892 /nfs/dbraw/zinc/02/28/92/241022892.db2.gz YNLBKFOLHFLSQL-UHFFFAOYSA-N 0 3 301.308 3.367 10 30 DGEEHN CCS[C@@H]1CC[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000093868671 193320940 /nfs/dbraw/zinc/32/09/40/193320940.db2.gz SIFIHDYLNQSMIM-GOEBONIOSA-N 0 3 314.458 3.312 10 30 DGEEHN Cc1ccn(-c2ccccc2CNCc2cccc(C#N)c2)n1 ZINC000136392481 284501688 /nfs/dbraw/zinc/50/16/88/284501688.db2.gz YUQLVHVIOWWSDC-UHFFFAOYSA-N 0 3 302.381 3.342 10 30 DGEEHN CCN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)/C(N)=N/O ZINC000042445141 183271458 /nfs/dbraw/zinc/27/14/58/183271458.db2.gz DHKGOPNQUZIVIV-SECBINFHSA-N 0 3 304.221 3.198 10 30 DGEEHN CCN(Cc1ccccc1)c1ccc(/C=N/N2CCOCC2)cc1 ZINC000003248170 257267251 /nfs/dbraw/zinc/26/72/51/257267251.db2.gz BSYMLBAUOYPUHG-LTGZKZEYSA-N 0 3 323.440 3.379 10 30 DGEEHN C=CCCOCCN[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000090883503 400081107 /nfs/dbraw/zinc/08/11/07/400081107.db2.gz BZNDVMDBLDJUDA-CYBMUJFWSA-N 0 3 320.824 3.164 10 30 DGEEHN C=CCOc1ccc(CN2CCC[C@H](c3nc(C)no3)C2)cc1 ZINC000091832175 400138722 /nfs/dbraw/zinc/13/87/22/400138722.db2.gz OHPKBMVKCDEQIW-INIZCTEOSA-N 0 3 313.401 3.322 10 30 DGEEHN C=CC[C@H](C(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000617009016 400272597 /nfs/dbraw/zinc/27/25/97/400272597.db2.gz QGJZKXIHXGDLKK-SJORKVTESA-N 0 3 300.446 3.335 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1 ZINC000093869899 400261123 /nfs/dbraw/zinc/26/11/23/400261123.db2.gz OWDZEENNEDQVNW-KRWDZBQOSA-N 0 3 311.429 3.050 10 30 DGEEHN CCc1ccc([C@H](C)NCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000123183218 400466516 /nfs/dbraw/zinc/46/65/16/400466516.db2.gz OFJLEFJRZSRRQP-HNNXBMFYSA-N 0 3 313.445 3.242 10 30 DGEEHN CN(CCC#N)C(=O)CCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000179701930 400879573 /nfs/dbraw/zinc/87/95/73/400879573.db2.gz NFFZYGONSVVCQV-QGZVFWFLSA-N 0 3 319.836 3.143 10 30 DGEEHN C=CCCCN(C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000605743195 400884931 /nfs/dbraw/zinc/88/49/31/400884931.db2.gz ZKBGFANVDQSFNQ-UHFFFAOYSA-N 0 3 302.462 3.367 10 30 DGEEHN C=CCOc1cccc(NC(=O)NCCN2CCCC[C@H]2C)c1 ZINC000056625091 400938702 /nfs/dbraw/zinc/93/87/02/400938702.db2.gz YDQQPBWHVLLDCO-OAHLLOKOSA-N 0 3 317.433 3.247 10 30 DGEEHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624788556 400951660 /nfs/dbraw/zinc/95/16/60/400951660.db2.gz VSEJKLZFNMTTME-WBVHZDCISA-N 0 3 305.466 3.001 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@H](C)[C@@H](OC)C2)cc1OC ZINC000188303016 400907923 /nfs/dbraw/zinc/90/79/23/400907923.db2.gz HSWKJQUDTAHBDS-KSSFIOAISA-N 0 3 305.418 3.117 10 30 DGEEHN C#CC[C@@H](N)c1cc(Br)sc1Br ZINC000236315971 400977892 /nfs/dbraw/zinc/97/78/92/400977892.db2.gz WMOUGWPOEWKYGX-ZCFIWIBFSA-N 0 3 309.026 3.296 10 30 DGEEHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1Br ZINC000594427617 401064379 /nfs/dbraw/zinc/06/43/79/401064379.db2.gz VIOKETLQRFKARY-CYBMUJFWSA-N 0 3 324.222 3.107 10 30 DGEEHN C=CCCOCCN[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594501051 401082124 /nfs/dbraw/zinc/08/21/24/401082124.db2.gz HKWYMMGXSYAMAT-QGZVFWFLSA-N 0 3 303.402 3.033 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNc1ccncc1[N+](=O)[O-])C(C)C ZINC000060342934 401107154 /nfs/dbraw/zinc/10/71/54/401107154.db2.gz CBRFEJFBASWXDG-HNNXBMFYSA-N 0 3 304.394 3.100 10 30 DGEEHN C=CCN(CC=C)[C@H](CNc1ccncc1[N+](=O)[O-])C(C)C ZINC000060342933 401107164 /nfs/dbraw/zinc/10/71/64/401107164.db2.gz CBRFEJFBASWXDG-OAHLLOKOSA-N 0 3 304.394 3.100 10 30 DGEEHN C=C(C)CN1CCC(Nc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000594549567 401107808 /nfs/dbraw/zinc/10/78/08/401107808.db2.gz DXIFEPAIDDURLJ-UHFFFAOYSA-N 0 3 305.378 3.056 10 30 DGEEHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)c3n2CCCC3)C1 ZINC000600186087 401214221 /nfs/dbraw/zinc/21/42/21/401214221.db2.gz OMBDQYPFYKSGOD-CQSZACIVSA-N 0 3 302.418 3.009 10 30 DGEEHN C=CC[C@H]1CCN(Cc2cc(C(=O)OC)c3n2CCCC3)C1 ZINC000600186086 401214353 /nfs/dbraw/zinc/21/43/53/401214353.db2.gz OMBDQYPFYKSGOD-AWEZNQCLSA-N 0 3 302.418 3.009 10 30 DGEEHN C=CC[C@H]1CCN(Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000625701117 401185944 /nfs/dbraw/zinc/18/59/44/401185944.db2.gz OOVOPWMTEARBDH-INIZCTEOSA-N 0 3 300.446 3.470 10 30 DGEEHN C=CC(C)(C)CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000625899893 401246317 /nfs/dbraw/zinc/24/63/17/401246317.db2.gz FPHGYACVRYYQSZ-MRXNPFEDSA-N 0 3 317.433 3.071 10 30 DGEEHN C=CCOc1c(Cl)cc(CN[C@H]2CCCN(C)C2)cc1OC ZINC000623372351 401502301 /nfs/dbraw/zinc/50/23/01/401502301.db2.gz QGEGQXAPXAMAQG-AWEZNQCLSA-N 0 3 324.852 3.097 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000623388598 401506627 /nfs/dbraw/zinc/50/66/27/401506627.db2.gz OEMCBTGESNINOB-QGZVFWFLSA-N 0 3 315.461 3.116 10 30 DGEEHN C=CCOc1c(Cl)cc(CN[C@H](C)[C@H](C)CO)cc1OC ZINC000623427511 401515314 /nfs/dbraw/zinc/51/53/14/401515314.db2.gz BMHIMXDSBIZMBM-VXGBXAGGSA-N 0 3 313.825 3.020 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CCC[C@H](C/C=C/C)C2)CC1 ZINC000623635101 401559351 /nfs/dbraw/zinc/55/93/51/401559351.db2.gz URWAHHVGBKDNSM-WMHVBEDNSA-N 0 3 305.466 3.025 10 30 DGEEHN C=C[C@@H](CC(=O)NC[C@@H]1CCN1C1CCCC1)c1ccccc1 ZINC000628965191 401651236 /nfs/dbraw/zinc/65/12/36/401651236.db2.gz KOKIXOJGUYEKQG-LPHOPBHVSA-N 0 3 312.457 3.479 10 30 DGEEHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cccs1 ZINC000182546103 432203477 /nfs/dbraw/zinc/20/34/77/432203477.db2.gz XWILPKSWUZFINM-LBPRGKRZSA-N 0 3 302.399 3.358 10 30 DGEEHN Cc1nccn1C[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000154590036 227099929 /nfs/dbraw/zinc/09/99/29/227099929.db2.gz CAUROGUPCPBOQS-GOSISDBHSA-N 0 3 313.832 3.361 10 30 DGEEHN C=CCS(=O)(=O)CCN[C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000371743426 275433263 /nfs/dbraw/zinc/43/32/63/275433263.db2.gz ITQDVVVHLWPQHL-ROUUACIJSA-N 0 3 321.486 3.293 10 30 DGEEHN C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415971925 276915505 /nfs/dbraw/zinc/91/55/05/276915505.db2.gz KLOKLPUZSFMHJB-CYBMUJFWSA-N 0 3 303.381 3.044 10 30 DGEEHN N#CCSCCCN1CCC(Nc2ccccc2F)CC1 ZINC000072486766 431334620 /nfs/dbraw/zinc/33/46/20/431334620.db2.gz JOZXNWGXIXCFEI-UHFFFAOYSA-N 0 3 307.438 3.349 10 30 DGEEHN N#Cc1ccc(OCCCN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114483696 431391642 /nfs/dbraw/zinc/39/16/42/431391642.db2.gz HPZRBLGQHZHASV-GOSISDBHSA-N 0 3 310.401 3.277 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000116430417 431512332 /nfs/dbraw/zinc/51/23/32/431512332.db2.gz SHNPIZBLURQKCK-INIZCTEOSA-N 0 3 317.433 3.167 10 30 DGEEHN Cc1cccc(NC[C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000119542306 431703932 /nfs/dbraw/zinc/70/39/32/431703932.db2.gz ANZQDUUFLKTHEO-INIZCTEOSA-N 0 3 324.403 3.335 10 30 DGEEHN C=CCOc1ccc(CN[C@H]2CC[C@@H](C(=O)OCC)C2)cc1 ZINC000125831419 431937529 /nfs/dbraw/zinc/93/75/29/431937529.db2.gz ZZKVCLPEHDOQFZ-CVEARBPZSA-N 0 3 303.402 3.073 10 30 DGEEHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC#Cc2ccccc2)C1 ZINC000191964306 432317607 /nfs/dbraw/zinc/31/76/07/432317607.db2.gz KAEJUOXVNQHKIX-PKOBYXMFSA-N 0 3 312.457 3.055 10 30 DGEEHN N#Cc1ccc(CNCCc2coc(-c3ccc(F)cc3)n2)o1 ZINC000174356171 432340736 /nfs/dbraw/zinc/34/07/36/432340736.db2.gz VXMOFOYHDZLZOY-UHFFFAOYSA-N 0 3 311.316 3.278 10 30 DGEEHN C[C@H](N[C@@H](C)c1cccs1)C(=O)NC1(C#N)CCCCC1 ZINC000192680443 432400078 /nfs/dbraw/zinc/40/00/78/432400078.db2.gz HKRGENDFNRLEEE-STQMWFEESA-N 0 3 305.447 3.130 10 30 DGEEHN C[C@H](CNCc1cnc2ccc(C#N)cn12)Sc1ccccc1 ZINC000174608056 432360464 /nfs/dbraw/zinc/36/04/64/432360464.db2.gz SXWUYELYUZGOMS-CQSZACIVSA-N 0 3 322.437 3.476 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000185147125 432471937 /nfs/dbraw/zinc/47/19/37/432471937.db2.gz AYMGDGMUIOYNOC-HNNXBMFYSA-N 0 3 304.434 3.305 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000185307441 432489858 /nfs/dbraw/zinc/48/98/58/432489858.db2.gz UMDRGQWDGINFBA-AWEZNQCLSA-N 0 3 324.415 3.457 10 30 DGEEHN Cc1ccc([C@H](C)NCCC(=O)Nc2sccc2C#N)o1 ZINC000194413313 432549290 /nfs/dbraw/zinc/54/92/90/432549290.db2.gz JJAJALCVCUQTFN-NSHDSACASA-N 0 3 303.387 3.201 10 30 DGEEHN C=C(C)[C@H](NC[C@H](O)COCCCC)c1ccc(F)c(F)c1 ZINC000195219731 432611785 /nfs/dbraw/zinc/61/17/85/432611785.db2.gz CMQDATWUIGHLRF-YOEHRIQHSA-N 0 3 313.388 3.349 10 30 DGEEHN CCc1nccn1[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000186218171 432570116 /nfs/dbraw/zinc/57/01/16/432570116.db2.gz RRUYXIWRXCLZGJ-GOSISDBHSA-N 0 3 308.429 3.463 10 30 DGEEHN C=CC[C@H](CO)N[C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000186699155 432623835 /nfs/dbraw/zinc/62/38/35/432623835.db2.gz NTXHWNOXOPCZCO-NVXWUHKLSA-N 0 3 313.445 3.385 10 30 DGEEHN C#CCOc1ccc([C@@H](C)NCc2ccc(CO)c(F)c2)cc1 ZINC000178562587 432753018 /nfs/dbraw/zinc/75/30/18/432753018.db2.gz LDZMDHKFIZCQQH-CQSZACIVSA-N 0 3 313.372 3.181 10 30 DGEEHN Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)C1CCCCC1 ZINC000178704626 432768646 /nfs/dbraw/zinc/76/86/46/432768646.db2.gz JYUKMLKWKSVJIU-UHFFFAOYSA-N 0 3 313.445 3.203 10 30 DGEEHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245941174 432871212 /nfs/dbraw/zinc/87/12/12/432871212.db2.gz AUMOUFDVQMYKIF-WMLDXEAASA-N 0 3 321.428 3.425 10 30 DGEEHN Cc1nccn1C[C@H]1CCCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245700051 432857193 /nfs/dbraw/zinc/85/71/93/432857193.db2.gz CXNAKRDECKAQOZ-CRAIPNDOSA-N 0 3 324.428 3.147 10 30 DGEEHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330199410 432897776 /nfs/dbraw/zinc/89/77/76/432897776.db2.gz VJRFKCJWMPZIPR-QKPAOTATSA-N 0 3 318.465 3.162 10 30 DGEEHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH+]=C([O-])N[C@H]1CCn2ccnc2C1 ZINC000330199410 432897780 /nfs/dbraw/zinc/89/77/80/432897780.db2.gz VJRFKCJWMPZIPR-QKPAOTATSA-N 0 3 318.465 3.162 10 30 DGEEHN Cc1cccc(C)c1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000330223167 432898392 /nfs/dbraw/zinc/89/83/92/432898392.db2.gz MYLCSPKGVVIWEJ-JLJPHGGASA-N 0 3 302.418 3.437 10 30 DGEEHN Cc1ccc([C@H](C)NC(=O)CN[C@@H]2CCO[C@H]2C2CC2)cc1C ZINC000330259185 432900625 /nfs/dbraw/zinc/90/06/25/432900625.db2.gz NFRKUMNIWAGNHL-YJLNNSPDSA-N 0 3 316.445 3.478 10 30 DGEEHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@](C)(c2ccccc2)C1 ZINC000446711497 433084494 /nfs/dbraw/zinc/08/44/94/433084494.db2.gz MRJDKPJYXMTJMQ-YLJYHZDGSA-N 0 3 312.457 3.239 10 30 DGEEHN C=CCC[C@@H](CO)N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453352105 433111465 /nfs/dbraw/zinc/11/14/65/433111465.db2.gz KVXXRYHFZADFAR-MAUKXSAKSA-N 0 3 311.429 3.166 10 30 DGEEHN CN(c1cccc(F)c1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336658690 433175451 /nfs/dbraw/zinc/17/54/51/433175451.db2.gz SCQRMWOWVPLUDY-MRXNPFEDSA-N 0 3 309.388 3.408 10 30 DGEEHN C[C@@H](NC[C@H]1N(C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036287 433356900 /nfs/dbraw/zinc/35/69/00/433356900.db2.gz XDXWOCVZDPGCBY-CXAGYDPISA-N 0 3 303.425 3.468 10 30 DGEEHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000425982954 433393721 /nfs/dbraw/zinc/39/37/21/433393721.db2.gz YVNMDYISZVDORE-SQNIBIBYSA-N 0 3 313.445 3.182 10 30 DGEEHN C=CCN(CC=C)[C@@H](CNCc1nn(C)c(C)c1Cl)C(C)C ZINC000421335869 433483758 /nfs/dbraw/zinc/48/37/58/433483758.db2.gz UVVWNJPBXPMLLJ-INIZCTEOSA-N 0 3 324.900 3.170 10 30 DGEEHN Cc1cc(C#N)cc(N2CCCN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000342352940 433632651 /nfs/dbraw/zinc/63/26/51/433632651.db2.gz VFXPZEBLLWRMCU-KRWDZBQOSA-N 0 3 320.440 3.363 10 30 DGEEHN Cc1ccc(N2CCN(Cc3ccccc3)C(C)(C)C2)nc1C#N ZINC000302612432 433828232 /nfs/dbraw/zinc/82/82/32/433828232.db2.gz FECJBXMAWCIKGV-UHFFFAOYSA-N 0 3 320.440 3.363 10 30 DGEEHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(C#N)n1C ZINC000450157837 433999616 /nfs/dbraw/zinc/99/96/16/433999616.db2.gz ACBRYDBEATXTQI-UHFFFAOYSA-N 0 3 322.412 3.053 10 30 DGEEHN CC(C)(CCC#N)CNCc1ncc(Br)s1 ZINC000309701438 434094439 /nfs/dbraw/zinc/09/44/39/434094439.db2.gz TUSWARLNUBZODC-UHFFFAOYSA-N 0 3 302.241 3.325 10 30 DGEEHN C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)N1CCC(C)CC1 ZINC000328634428 434292902 /nfs/dbraw/zinc/29/29/02/434292902.db2.gz BKXKHNDZPWJINK-CABCVRRESA-N 0 3 309.454 3.353 10 30 DGEEHN O=C(CN[C@@H]1CCC(=O)NC12CCC2)Nc1cc(F)cc(F)c1 ZINC000328712448 434299988 /nfs/dbraw/zinc/29/99/88/434299988.db2.gz RSFDOLPNSISVRK-CYBMUJFWSA-N 0 3 323.343 3.184 10 30 DGEEHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328840185 434317664 /nfs/dbraw/zinc/31/76/64/434317664.db2.gz UMHUYJGJWLUQOM-KBPBESRZSA-N 0 3 309.454 3.353 10 30 DGEEHN CCN1CCC[C@H](NC(=O)c2ccc(OC3CCCC3)nc2)C1 ZINC000329285606 434387498 /nfs/dbraw/zinc/38/74/98/434387498.db2.gz GONHYAUDZDGXHR-HNNXBMFYSA-N 0 3 317.433 3.192 10 30 DGEEHN C[C@@H]1CC[C@]2(CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000366342596 434392574 /nfs/dbraw/zinc/39/25/74/434392574.db2.gz OOLWVZVKEYFOPM-BPAFIMBUSA-N 0 3 321.424 3.279 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C#N)cc1F ZINC000358580608 434399896 /nfs/dbraw/zinc/39/98/96/434399896.db2.gz YGJWWEJJNUEICV-JDFRZJQESA-N 0 3 320.433 3.403 10 30 DGEEHN C=CCN1CC[C@H](N(C)[C@@H](c2ccccc2C)C(C)C)C1=O ZINC000410394066 434643942 /nfs/dbraw/zinc/64/39/42/434643942.db2.gz TZPPBDMUKKUOPA-ZWKOTPCHSA-N 0 3 300.446 3.411 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CNCc1c(F)cccc1OC(F)(F)F ZINC000424177530 434647252 /nfs/dbraw/zinc/64/72/52/434647252.db2.gz UIWAVTDDNSZJNF-GWCFXTLKSA-N 0 3 319.298 3.405 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000424292795 434680535 /nfs/dbraw/zinc/68/05/35/434680535.db2.gz HJMLVRKOYSGBMK-HFTRVMKXSA-N 0 3 311.429 3.329 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000424289708 434681793 /nfs/dbraw/zinc/68/17/93/434681793.db2.gz ABQJZTMBDWDDCW-ZYSHUDEJSA-N 0 3 312.388 3.491 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000424297534 434682273 /nfs/dbraw/zinc/68/22/73/434682273.db2.gz QWCKNYFXUFLHEF-SNRMKQJTSA-N 0 3 312.388 3.491 10 30 DGEEHN C[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000453246941 434840775 /nfs/dbraw/zinc/84/07/75/434840775.db2.gz MZCBFLITIUELDD-MLGOLLRUSA-N 0 3 316.351 3.091 10 30 DGEEHN C=C(C)COCCNCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462788711 434928473 /nfs/dbraw/zinc/92/84/73/434928473.db2.gz HXMYNRSNWVXODK-UHFFFAOYSA-N 0 3 305.418 3.324 10 30 DGEEHN C=CCCc1ccccc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000558638015 435101030 /nfs/dbraw/zinc/10/10/30/435101030.db2.gz DMDQWGFYJQZVME-OAHLLOKOSA-N 0 3 301.434 3.269 10 30 DGEEHN C=CC[C@@H](CO)CNc1cc(C)nc2ccc(OC(F)F)cc21 ZINC000561061023 435199632 /nfs/dbraw/zinc/19/96/32/435199632.db2.gz SPSCSLCFWYRCAI-GFCCVEGCSA-N 0 3 322.355 3.163 10 30 DGEEHN C=CCN(CCc1ccco1)C[C@@H](O)COc1ccc(C)cc1 ZINC000537613874 435454277 /nfs/dbraw/zinc/45/42/77/435454277.db2.gz PCFCRKDIXRUDQD-QGZVFWFLSA-N 0 3 315.413 3.058 10 30 DGEEHN C=CCNC(=O)CNC/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000571318852 435697021 /nfs/dbraw/zinc/69/70/21/435697021.db2.gz KOBRBEKKPAQKBI-WQLSENKSSA-N 0 3 312.335 3.001 10 30 DGEEHN Cc1ccccc1O[C@@H](C)CNCc1cnc2ccc(C#N)cn12 ZINC000174589880 312764197 /nfs/dbraw/zinc/76/41/97/312764197.db2.gz QHNUUGRJYWQZJW-HNNXBMFYSA-N 0 3 320.396 3.072 10 30 DGEEHN C[C@@H](NC[C@@H](O)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000543416409 314132673 /nfs/dbraw/zinc/13/26/73/314132673.db2.gz KEWILPNYBWKLAE-PBHICJAKSA-N 0 3 312.388 3.342 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N(C)C[C@H]2CC=CCC2)CC1 ZINC000542258252 341002344 /nfs/dbraw/zinc/00/23/44/341002344.db2.gz NJHXAMUYMUILKA-INIZCTEOSA-N 0 3 305.466 3.025 10 30 DGEEHN C=CCOc1cccc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000544609300 341088692 /nfs/dbraw/zinc/08/86/92/341088692.db2.gz KKSDGVWKULAIAH-ROUUACIJSA-N 0 3 303.446 3.480 10 30 DGEEHN C=CCN1CCC(NC(=O)N2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000172075691 526426881 /nfs/dbraw/zinc/42/68/81/526426881.db2.gz OOZJAHWCLGLCRI-LJQANCHMSA-N 0 3 317.477 3.169 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)NC2CCC3(CC3)CC2)CC1 ZINC000433607188 526588486 /nfs/dbraw/zinc/58/84/86/526588486.db2.gz IQEVWUQLMCTTOH-UHFFFAOYSA-N 0 3 305.466 3.049 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000431633280 526597944 /nfs/dbraw/zinc/59/79/44/526597944.db2.gz BQUHMXCANNNLCA-AYOQOUSVSA-N 0 3 312.457 3.193 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180287298 526600076 /nfs/dbraw/zinc/60/00/76/526600076.db2.gz OBWLDMRGZNIIER-UHFFFAOYSA-N 0 3 323.440 3.012 10 30 DGEEHN C=CCOCCN[C@H](C)c1ccc(Br)cc1OC ZINC000339119457 526782465 /nfs/dbraw/zinc/78/24/65/526782465.db2.gz SLMYGZMUKJOIHA-LLVKDONJSA-N 0 3 314.223 3.311 10 30 DGEEHN C=CCOc1ccc(CN2CCC[C@H]3COCC[C@H]32)cc1OC ZINC000355135135 526867961 /nfs/dbraw/zinc/86/79/61/526867961.db2.gz NTOUANOYMZWDHU-DLBZAZTESA-N 0 3 317.429 3.261 10 30 DGEEHN CC(=O)c1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1[O-] ZINC000331353967 527220462 /nfs/dbraw/zinc/22/04/62/527220462.db2.gz PGVHVYVXVLPFHP-UHFFFAOYSA-N 0 3 318.417 3.020 10 30 DGEEHN C=CCc1cc(CN2CCC[C@H]3COCC[C@@H]32)cc(OC)c1O ZINC000355116068 527237649 /nfs/dbraw/zinc/23/76/49/527237649.db2.gz SAGQTJPLABYPIH-IRXDYDNUSA-N 0 3 317.429 3.130 10 30 DGEEHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc2ccccc2c1 ZINC000181494464 528625790 /nfs/dbraw/zinc/62/57/90/528625790.db2.gz CXXCZRGDALDAID-HOTGVXAUSA-N 0 3 323.440 3.499 10 30 DGEEHN C=CCOc1ccc(CN(C)[C@@H]2CCCc3c2cnn3C)cc1 ZINC000093863688 545857954 /nfs/dbraw/zinc/85/79/54/545857954.db2.gz GUQVRSSPKNPMAO-GOSISDBHSA-N 0 3 311.429 3.494 10 30 DGEEHN Cc1nc(C)c([C@H](C)NCCOc2ccc(C#N)cc2)s1 ZINC000181155336 546154128 /nfs/dbraw/zinc/15/41/28/546154128.db2.gz YGLHGXIMEVNPLS-NSHDSACASA-N 0 3 301.415 3.361 10 30 DGEEHN C=CCc1cc(CN2CCCCC[C@H]2CCO)cc(OC)c1O ZINC000342825462 546560565 /nfs/dbraw/zinc/56/05/65/546560565.db2.gz SAIWTSHYXMPECH-KRWDZBQOSA-N 0 3 319.445 3.256 10 30 DGEEHN Cc1c(Br)cccc1NC(=O)[C@H](N)CCCCC#N ZINC000594426484 547031828 /nfs/dbraw/zinc/03/18/28/547031828.db2.gz DDMPNZIHFBMVSM-GFCCVEGCSA-N 0 3 324.222 3.107 10 30 DGEEHN COCCN(Cc1cc(Cl)ccc1OCC#N)CC(C)C ZINC000735308937 574696592 /nfs/dbraw/zinc/69/65/92/574696592.db2.gz YZUQCVKYFHVNSU-UHFFFAOYSA-N 0 3 310.825 3.347 10 30 DGEEHN CCCN(Cc1cc(Cl)ccc1OCC#N)CC(C)(C)O ZINC000741805436 574972142 /nfs/dbraw/zinc/97/21/42/574972142.db2.gz OILAPXQPVRNSJB-UHFFFAOYSA-N 0 3 310.825 3.225 10 30 DGEEHN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154409124 620670356 /nfs/dbraw/zinc/67/03/56/620670356.db2.gz VTKOWQJMHAVWMS-OAHLLOKOSA-N 0 3 315.461 3.397 10 30 DGEEHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000119301811 618624355 /nfs/dbraw/zinc/62/43/55/618624355.db2.gz QIPRWKAPKFRGTF-HZPDHXFCSA-N 0 3 306.409 3.142 10 30 DGEEHN CCCCCCCN1CCN(Cc2nccn2C(F)F)CC1 ZINC000119006057 621607602 /nfs/dbraw/zinc/60/76/02/621607602.db2.gz RVLDJXYELFWBTO-UHFFFAOYSA-N 0 3 314.424 3.366 10 30 DGEEHN CCc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)oc1CC ZINC000128725201 625177124 /nfs/dbraw/zinc/17/71/24/625177124.db2.gz FDFCGWDOVDBCEJ-AWEZNQCLSA-N 0 3 310.353 3.366 10 30 DGEEHN CO[C@@](C)(CNCC#Cc1ccccc1)COCc1ccccc1 ZINC000702767491 660741383 /nfs/dbraw/zinc/74/13/83/660741383.db2.gz YMEQQKARMSSLIL-NRFANRHFSA-N 0 3 323.436 3.250 10 30 DGEEHN CC1(C)CN(Cc2cncc(C#N)c2)CCN1Cc1ccccc1 ZINC000721597792 655861954 /nfs/dbraw/zinc/86/19/54/655861954.db2.gz OUHBVHWVZHIUCP-UHFFFAOYSA-N 0 3 320.440 3.050 10 30 DGEEHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](N[C@H]2CCC[C@H]2C#N)C1 ZINC000299986140 656231066 /nfs/dbraw/zinc/23/10/66/656231066.db2.gz LMPYSHSFIAPEMV-XQLPTFJDSA-N 0 3 307.438 3.104 10 30 DGEEHN C=CCOCCCC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000183184908 657377329 /nfs/dbraw/zinc/37/73/29/657377329.db2.gz CAEFKODQJVOWSL-SFHVURJKSA-N 0 3 317.429 3.177 10 30 DGEEHN CC(C)[C@H](CNC(=O)OC(C)(C)C)CN[C@H]1CCC[C@@H]1C#N ZINC000230944423 659359295 /nfs/dbraw/zinc/35/92/95/659359295.db2.gz IZMSMKWMHTYMOE-ILXRZTDVSA-N 0 3 309.454 3.065 10 30 DGEEHN C#CCCNCc1cc(Br)ccc1OC(F)F ZINC000070245439 660047087 /nfs/dbraw/zinc/04/70/87/660047087.db2.gz RMLUKTKEOXNICQ-UHFFFAOYSA-N 0 3 304.134 3.163 10 30 DGEEHN C#Cc1cccc(NC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000043985011 661852713 /nfs/dbraw/zinc/85/27/13/661852713.db2.gz URGJFGACTZNXMQ-SFHVURJKSA-N 0 3 307.397 3.092 10 30 DGEEHN C#CCOc1ccccc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000092812760 662336097 /nfs/dbraw/zinc/33/60/97/662336097.db2.gz PJRCTNLSHMJKBH-KRWDZBQOSA-N 0 3 321.424 3.028 10 30 DGEEHN Cc1cccc(NC[C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)n1 ZINC000103474003 432010115 /nfs/dbraw/zinc/01/01/15/432010115.db2.gz GZRFAJFAWBEDTK-INIZCTEOSA-N 0 3 324.403 3.335 10 30 DGEEHN C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000159640832 186132602 /nfs/dbraw/zinc/13/26/02/186132602.db2.gz SHKSQBYAVFPTLQ-BEFAXECRSA-N 0 3 310.441 3.086 10 30 DGEEHN N#Cc1ccc(CN[C@H]2CCN(c3c(F)cccc3F)C2)s1 ZINC000153320874 283148127 /nfs/dbraw/zinc/14/81/27/283148127.db2.gz OAHMBLDRFYCEKZ-NSHDSACASA-N 0 3 319.380 3.266 10 30 DGEEHN N#Cc1ccc(CN[C@@H]2CCN(c3c(F)cccc3F)C2)s1 ZINC000153320986 283146695 /nfs/dbraw/zinc/14/66/95/283146695.db2.gz OAHMBLDRFYCEKZ-LLVKDONJSA-N 0 3 319.380 3.266 10 30 DGEEHN N#Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1F ZINC000281398188 216272282 /nfs/dbraw/zinc/27/22/82/216272282.db2.gz NHPQDODYGXHJOU-CGTJXYLNSA-N 0 3 302.393 3.213 10 30 DGEEHN CCc1nccn1[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000135056436 432096187 /nfs/dbraw/zinc/09/61/87/432096187.db2.gz XCRQWPONUQHDKQ-QGZVFWFLSA-N 0 3 324.428 3.163 10 30 DGEEHN CCn1cnnc1C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000189879582 432100756 /nfs/dbraw/zinc/10/07/56/432100756.db2.gz CSMHFUJYKJARNF-CQSZACIVSA-N 0 3 309.417 3.110 10 30 DGEEHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246277200 432115321 /nfs/dbraw/zinc/11/53/21/432115321.db2.gz BVEWEJTYOCITCL-WBVHZDCISA-N 0 3 306.413 3.448 10 30 DGEEHN C=CCN[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494204154 246119493 /nfs/dbraw/zinc/11/94/93/246119493.db2.gz HTHGBEWAMHVUDG-GOEBONIOSA-N 0 3 310.800 3.305 10 30 DGEEHN COc1cccc2c1OC[C@H](N[C@H](C)c1ccc(C#N)s1)C2 ZINC000181680230 432140881 /nfs/dbraw/zinc/14/08/81/432140881.db2.gz CFFSFIKMDCQTAG-DGCLKSJQSA-N 0 3 314.410 3.283 10 30 DGEEHN C[C@@H](NCc1ccc(C#N)s1)c1ccc(-n2ccnn2)cc1 ZINC000119918637 195061968 /nfs/dbraw/zinc/06/19/68/195061968.db2.gz PROLBXLLWYTYRV-GFCCVEGCSA-N 0 3 309.398 3.051 10 30 DGEEHN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000184648164 533349621 /nfs/dbraw/zinc/34/96/21/533349621.db2.gz NBIFXIZHEZVBPK-LLVKDONJSA-N 0 3 305.809 3.318 10 30 DGEEHN Cn1ccnc1C[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000610272826 400230732 /nfs/dbraw/zinc/23/07/32/400230732.db2.gz RJDKPIMDHFDZBF-LJQANCHMSA-N 0 3 316.408 3.365 10 30 DGEEHN C[C@H](NCCN1Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000611588177 400427794 /nfs/dbraw/zinc/42/77/94/400427794.db2.gz ZSGKELSRYSZVNU-AWEZNQCLSA-N 0 3 309.388 3.364 10 30 DGEEHN COc1ccc([C@H](C)NCCOc2ccc(C#N)cc2)cc1F ZINC000121565887 400456477 /nfs/dbraw/zinc/45/64/77/400456477.db2.gz ZWIKVRDBCUAAFQ-ZDUSSCGKSA-N 0 3 314.360 3.436 10 30 DGEEHN C=CCCCCCN1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000603001999 400624567 /nfs/dbraw/zinc/62/45/67/400624567.db2.gz YOCAXMFKUCEJAW-UHFFFAOYSA-N 0 3 306.406 3.387 10 30 DGEEHN C=CCCCN(C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000605949295 400888519 /nfs/dbraw/zinc/88/85/19/400888519.db2.gz ULFAPXMASDWBFQ-GOSISDBHSA-N 0 3 317.477 3.459 10 30 DGEEHN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000633411292 400940296 /nfs/dbraw/zinc/94/02/96/400940296.db2.gz NAHXETBSWDRLQG-MRXNPFEDSA-N 0 3 307.482 3.249 10 30 DGEEHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(CC)c2)CC1 ZINC000182008534 400890634 /nfs/dbraw/zinc/89/06/34/400890634.db2.gz AWSSEJVUGFYGCW-UHFFFAOYSA-N 0 3 301.434 3.329 10 30 DGEEHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000620304007 401050795 /nfs/dbraw/zinc/05/07/95/401050795.db2.gz MTDJQAYICZESDA-FGTMMUONSA-N 0 3 302.462 3.493 10 30 DGEEHN N#CCCCC[C@@H](N)C(=O)NCc1cccc(Cl)c1Cl ZINC000594430343 401066126 /nfs/dbraw/zinc/06/61/26/401066126.db2.gz ZUGJTXZELVAYMC-GFCCVEGCSA-N 0 3 314.216 3.021 10 30 DGEEHN N#Cc1c(Cl)cccc1NCCCNCc1cccnc1 ZINC000063197200 401183519 /nfs/dbraw/zinc/18/35/19/401183519.db2.gz UVWTYWMXCSJTGN-UHFFFAOYSA-N 0 3 300.793 3.198 10 30 DGEEHN C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625942084 401262071 /nfs/dbraw/zinc/26/20/71/401262071.db2.gz JIFJNRSSZDJXFT-CYBMUJFWSA-N 0 3 303.406 3.035 10 30 DGEEHN C=C(C)COCCN[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000090450825 401266640 /nfs/dbraw/zinc/26/66/40/401266640.db2.gz ZGZXKRDIYQWULT-CYBMUJFWSA-N 0 3 320.824 3.164 10 30 DGEEHN C=CCOc1c(Cl)cc(CNC(C)(C)[C@@H](C)O)cc1OC ZINC000623477006 401527128 /nfs/dbraw/zinc/52/71/28/401527128.db2.gz YITGZNMKXBTKET-LLVKDONJSA-N 0 3 313.825 3.162 10 30 DGEEHN C=CC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000623566092 401547619 /nfs/dbraw/zinc/54/76/19/401547619.db2.gz GHZGWKGZNZOUAB-SJLPKXTDSA-N 0 3 315.461 3.205 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C/C=C/C)C2)CC1 ZINC000623579162 401550336 /nfs/dbraw/zinc/55/03/36/401550336.db2.gz POQZFTJYASMXSN-BDUNBXCCSA-N 0 3 319.493 3.415 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C/C=C\C)C2)CC1 ZINC000623579163 401550463 /nfs/dbraw/zinc/55/04/63/401550463.db2.gz POQZFTJYASMXSN-CHYADLBTSA-N 0 3 319.493 3.415 10 30 DGEEHN C=C1CC(C)(C(=O)NC[C@@H](CN(C)C)c2ccc(Cl)cc2)C1 ZINC000633043612 401646564 /nfs/dbraw/zinc/64/65/64/401646564.db2.gz QFYJAIPMWUOHCH-HNNXBMFYSA-N 0 3 320.864 3.458 10 30 DGEEHN C=C1CC(C)(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000633217660 401661986 /nfs/dbraw/zinc/66/19/86/401661986.db2.gz AXFLTFSJRREQFE-INIZCTEOSA-N 0 3 318.486 3.484 10 30 DGEEHN Cc1ccn(-c2ccccc2CNCc2cc(C#N)cs2)n1 ZINC000136406475 432154296 /nfs/dbraw/zinc/15/42/96/432154296.db2.gz UCFDNAKFGIKSPG-UHFFFAOYSA-N 0 3 308.410 3.404 10 30 DGEEHN C[C@@H](COCC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358576454 266938648 /nfs/dbraw/zinc/93/86/48/266938648.db2.gz UDZXRZKXSZDXIS-UWVGGRQHSA-N 0 3 304.287 3.315 10 30 DGEEHN C[C@@H](c1ccccc1)N1CCC(Nc2ccncc2C#N)CC1 ZINC000372229955 267003032 /nfs/dbraw/zinc/00/30/32/267003032.db2.gz BVAXTOVQLRHDMX-HNNXBMFYSA-N 0 3 306.413 3.013 10 30 DGEEHN C[C@H](NC[C@@H](CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358591219 267184124 /nfs/dbraw/zinc/18/41/24/267184124.db2.gz OCVICLUJEXWHJS-YOEHRIQHSA-N 0 3 312.388 3.199 10 30 DGEEHN Cc1cc(C#N)nc(NC2CCN([C@@H](C)c3ccccc3)CC2)n1 ZINC000376205940 267316878 /nfs/dbraw/zinc/31/68/78/267316878.db2.gz UTXDDVFGSOWTSK-HNNXBMFYSA-N 0 3 321.428 3.294 10 30 DGEEHN Cc1nccn1CCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358560550 267656045 /nfs/dbraw/zinc/65/60/45/267656045.db2.gz FCVHQPUUXMIZBQ-CYBMUJFWSA-N 0 3 300.381 3.333 10 30 DGEEHN C=CCCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000076737834 431561875 /nfs/dbraw/zinc/56/18/75/431561875.db2.gz OZVBIODKITZPGG-LSDHHAIUSA-N 0 3 304.434 3.159 10 30 DGEEHN CCn1cnnc1C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118398609 431604064 /nfs/dbraw/zinc/60/40/64/431604064.db2.gz PXUMDLKHSHMUFL-CQSZACIVSA-N 0 3 309.417 3.110 10 30 DGEEHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)CC1 ZINC000087116308 431850341 /nfs/dbraw/zinc/85/03/41/431850341.db2.gz GESGEZKWOJFSGP-AWEZNQCLSA-N 0 3 319.424 3.145 10 30 DGEEHN C#CCSCCNCc1ccc(-c2ccncc2)cc1F ZINC000123451924 431866027 /nfs/dbraw/zinc/86/60/27/431866027.db2.gz GZVFDGUPAAIOCY-UHFFFAOYSA-N 0 3 300.402 3.344 10 30 DGEEHN CN1CC[C@H](NCc2ccc(C#N)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000125451997 431925772 /nfs/dbraw/zinc/92/57/72/431925772.db2.gz QEQMIFLLHIKCDQ-IRXDYDNUSA-N 0 3 315.804 3.340 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248644282 432310561 /nfs/dbraw/zinc/31/05/61/432310561.db2.gz ZNNHHAPXAPVZDG-XYJFISCASA-N 0 3 300.446 3.225 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC000192937910 432431280 /nfs/dbraw/zinc/43/12/80/432431280.db2.gz CZQYOMANACPKBH-UHFFFAOYSA-N 0 3 315.392 3.077 10 30 DGEEHN C=CC[C@H](CO)N[C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000186699177 432624554 /nfs/dbraw/zinc/62/45/54/432624554.db2.gz NTXHWNOXOPCZCO-DOTOQJQBSA-N 0 3 313.445 3.385 10 30 DGEEHN CN(Cc1ccc(-c2ccccc2C#N)cc1)CC1(CO)CC1 ZINC000186813264 432631907 /nfs/dbraw/zinc/63/19/07/432631907.db2.gz SYMICAJAEONLEH-UHFFFAOYSA-N 0 3 306.409 3.430 10 30 DGEEHN C=CCC[C@H](C(=O)N1CCCN(C2CC2)CC1)c1ccccc1 ZINC000188813980 432747257 /nfs/dbraw/zinc/74/72/57/432747257.db2.gz YVVCBSMPCJRTBQ-IBGZPJMESA-N 0 3 312.457 3.433 10 30 DGEEHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000245694937 432857070 /nfs/dbraw/zinc/85/70/70/432857070.db2.gz CDNHPFREVVLPPQ-HNAYVOBHSA-N 0 3 323.396 3.026 10 30 DGEEHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1c(F)cccc1F ZINC000330273580 432901917 /nfs/dbraw/zinc/90/19/17/432901917.db2.gz ZKHGQQPVASDMMY-FGEZKYSXSA-N 0 3 310.344 3.098 10 30 DGEEHN C=CCC[C@@H](CO)N[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453355478 433116272 /nfs/dbraw/zinc/11/62/72/433116272.db2.gz MHPOHUBBICXNDU-WFASDCNBSA-N 0 3 314.351 3.395 10 30 DGEEHN C[C@@H](NC[C@@H]1N(C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036288 433353754 /nfs/dbraw/zinc/35/37/54/433353754.db2.gz XDXWOCVZDPGCBY-DYVFJYSZSA-N 0 3 303.425 3.468 10 30 DGEEHN C=CCCCNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000448000939 433340912 /nfs/dbraw/zinc/34/09/12/433340912.db2.gz RPYDCEWDBMFINZ-SFHVURJKSA-N 0 3 315.461 3.162 10 30 DGEEHN C=CCCCNC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000448254258 433379665 /nfs/dbraw/zinc/37/96/65/433379665.db2.gz CMZJVVNNRUJNEP-GOSISDBHSA-N 0 3 315.461 3.259 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@@]3(C2)CCCOC3)cc1OC ZINC000375301796 433418080 /nfs/dbraw/zinc/41/80/80/433418080.db2.gz HZTDRHDOMWOJTD-LJQANCHMSA-N 0 3 317.429 3.263 10 30 DGEEHN Cc1cnccc1OC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000376046657 433650161 /nfs/dbraw/zinc/65/01/61/433650161.db2.gz QVNULFHAFIBYEL-UHFFFAOYSA-N 0 3 307.397 3.305 10 30 DGEEHN Cc1cc(C#N)cc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1 ZINC000342504352 433731515 /nfs/dbraw/zinc/73/15/15/433731515.db2.gz DFIVGHJEEAYFDR-CRAIPNDOSA-N 0 3 306.413 3.337 10 30 DGEEHN CN(C)CCN(Cc1ccc(Cl)cc1)c1cccc(C#N)n1 ZINC000301851861 433758446 /nfs/dbraw/zinc/75/84/46/433758446.db2.gz PPXJLMUAZYPZMQ-UHFFFAOYSA-N 0 3 314.820 3.175 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000431633279 433812979 /nfs/dbraw/zinc/81/29/79/433812979.db2.gz BQUHMXCANNNLCA-ATZDWAIDSA-N 0 3 312.457 3.193 10 30 DGEEHN C=C(C)CN1CCC(NC(=O)c2cccc(SC)c2)CC1 ZINC000449844689 433834826 /nfs/dbraw/zinc/83/48/26/433834826.db2.gz MHXQIWCSKZCBTJ-UHFFFAOYSA-N 0 3 304.459 3.179 10 30 DGEEHN C=CCOc1ccc(CNC[C@H]2NCCc3ccccc32)cc1 ZINC000414951383 433935026 /nfs/dbraw/zinc/93/50/26/433935026.db2.gz GQNNVKGEXDNIDK-HXUWFJFHSA-N 0 3 308.425 3.228 10 30 DGEEHN CN1CCC[C@H](CNC(=O)CC(C)(C)C#N)[C@@H]1c1cccs1 ZINC000377461799 433886129 /nfs/dbraw/zinc/88/61/29/433886129.db2.gz BNCMIKUIRUGTRS-CZUORRHYSA-N 0 3 319.474 3.187 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)c1cc[nH]c1C1CC1)C(C)C ZINC000284429472 433893759 /nfs/dbraw/zinc/89/37/59/433893759.db2.gz SZCNZXRPHVWFLY-QGZVFWFLSA-N 0 3 315.461 3.321 10 30 DGEEHN C=C(C)COc1cc(CN[C@H]2CCOC2(C)C)ccc1OC ZINC000294706896 434127997 /nfs/dbraw/zinc/12/79/97/434127997.db2.gz DLBKIBIYZUCPOU-KRWDZBQOSA-N 0 3 305.418 3.307 10 30 DGEEHN C=C(C)CN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000378530776 434215934 /nfs/dbraw/zinc/21/59/34/434215934.db2.gz FSTKOLBRABPHAD-OAHLLOKOSA-N 0 3 316.449 3.294 10 30 DGEEHN C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328907519 434325482 /nfs/dbraw/zinc/32/54/82/434325482.db2.gz LNTRJZLLWVUZFS-WFTWPBCJSA-N 0 3 307.438 3.009 10 30 DGEEHN C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000287328451 434337057 /nfs/dbraw/zinc/33/70/57/434337057.db2.gz MMNSCJOZGKNVMC-FQEVSTJZSA-N 0 3 320.436 3.113 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000287954757 434488678 /nfs/dbraw/zinc/48/86/78/434488678.db2.gz ICXRNPLCESNFNS-DOTOQJQBSA-N 0 3 303.450 3.285 10 30 DGEEHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424062606 434612858 /nfs/dbraw/zinc/61/28/58/434612858.db2.gz HCVSZFUPBZANKC-ZANVPECISA-N 0 3 314.216 3.192 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000424294289 434680984 /nfs/dbraw/zinc/68/09/84/434680984.db2.gz KGUXCYLMWDKZEL-HUBLWGQQSA-N 0 3 309.381 3.085 10 30 DGEEHN C=CCOc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000463029111 434940048 /nfs/dbraw/zinc/94/00/48/434940048.db2.gz NGXFROVDPDQFIY-OAQYLSRUSA-N 0 3 323.436 3.387 10 30 DGEEHN C=CCC[C@@H](C(=O)N(C)[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000463777713 434969521 /nfs/dbraw/zinc/96/95/21/434969521.db2.gz VIPLTQLLCORADJ-RTBURBONSA-N 0 3 312.457 3.432 10 30 DGEEHN C=CCOc1ccccc1CNC[C@H]1CCN1C1CCCC1 ZINC000527807060 435016226 /nfs/dbraw/zinc/01/62/26/435016226.db2.gz LUIQOMJKQSTJMA-GOSISDBHSA-N 0 3 300.446 3.358 10 30 DGEEHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527911943 435017314 /nfs/dbraw/zinc/01/73/14/435017314.db2.gz UNNYDBNQYDZBDZ-QOKNQOGYSA-N 0 3 311.429 3.329 10 30 DGEEHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCC[C@@H]1OC)C(C)C ZINC000576016240 435054741 /nfs/dbraw/zinc/05/47/41/435054741.db2.gz OGGWCSAPDRRIEL-KSZLIROESA-N 0 3 322.493 3.006 10 30 DGEEHN C=C(C)CN(C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000484004983 435537900 /nfs/dbraw/zinc/53/79/00/435537900.db2.gz NUAKRHMZMUTKLZ-UHFFFAOYSA-N 0 3 315.461 3.390 10 30 DGEEHN CN1CCC[C@H](CNC[C@H](C#N)CCC#N)[C@@H]1c1cccs1 ZINC000572831304 435873036 /nfs/dbraw/zinc/87/30/36/435873036.db2.gz JTQLDOZUMWLVHH-ZMSDIMECSA-N 0 3 316.474 3.164 10 30 DGEEHN C[C@@H](NCCc1ccc2c(c1)OCO2)c1ccc(C#N)cc1F ZINC000541905044 314048102 /nfs/dbraw/zinc/04/81/02/314048102.db2.gz WUMSJNIAGJTQHG-GFCCVEGCSA-N 0 3 312.344 3.319 10 30 DGEEHN C[C@H](NCCCOCC(F)(F)F)c1ccc(C#N)cc1F ZINC000543762314 314156983 /nfs/dbraw/zinc/15/69/83/314156983.db2.gz IZTXHPLYVSXIRV-JTQLQIEISA-N 0 3 304.287 3.317 10 30 DGEEHN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1OC(F)F ZINC000185770869 533703215 /nfs/dbraw/zinc/70/32/15/533703215.db2.gz GTBLUGKTYYKDHR-AAEUAGOBSA-N 0 3 310.344 3.469 10 30 DGEEHN COc1ccc([C@H](C)NCCOc2ccccc2C#N)cc1F ZINC000182031246 323280653 /nfs/dbraw/zinc/28/06/53/323280653.db2.gz JCYVJBNBJQAWEG-ZDUSSCGKSA-N 0 3 314.360 3.436 10 30 DGEEHN C[C@@H](NCCOc1ccccc1C#N)c1ccc2c(c1)OCO2 ZINC000182304433 323291825 /nfs/dbraw/zinc/29/18/25/323291825.db2.gz FMCMFOSRMIQCIQ-CYBMUJFWSA-N 0 3 310.353 3.017 10 30 DGEEHN C=CCOc1ccccc1CNC[C@H](c1ccco1)N(C)C ZINC000072670324 331669487 /nfs/dbraw/zinc/66/94/87/331669487.db2.gz XRPSFECQAJXZFL-MRXNPFEDSA-N 0 3 300.402 3.237 10 30 DGEEHN C=CCOc1ccc(CNC[C@@H](c2ccco2)N(C)C)cc1 ZINC000072670299 331669629 /nfs/dbraw/zinc/66/96/29/331669629.db2.gz TVCQLMGTWXEZLX-KRWDZBQOSA-N 0 3 300.402 3.237 10 30 DGEEHN C=CC[C@@H](C(=O)N[C@@H](CC(C)C)CN(C)C)c1ccccc1 ZINC000188385135 333365271 /nfs/dbraw/zinc/36/52/71/333365271.db2.gz YUGOFNLTZQWCTG-ZWKOTPCHSA-N 0 3 302.462 3.439 10 30 DGEEHN N#CCC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000542907694 341025879 /nfs/dbraw/zinc/02/58/79/341025879.db2.gz JBPYPJBGUHQYJH-UHFFFAOYSA-N 0 3 311.429 3.048 10 30 DGEEHN C=CC[C@H](CO)CNCc1cnc(-c2c(F)cccc2F)s1 ZINC000449211080 534397922 /nfs/dbraw/zinc/39/79/22/534397922.db2.gz WXQXUQVYBPMKRZ-NSHDSACASA-N 0 3 324.396 3.363 10 30 DGEEHN C=C(CC)CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494277498 534419988 /nfs/dbraw/zinc/41/99/88/534419988.db2.gz RNYJVHMLFMNMEC-GOEBONIOSA-N 0 3 310.800 3.307 10 30 DGEEHN C=CCN(CCc1ccco1)Cc1cn(-c2ccncc2)nc1C ZINC000346306004 526326741 /nfs/dbraw/zinc/32/67/41/526326741.db2.gz CUEXNMCVGQCPTM-UHFFFAOYSA-N 0 3 322.412 3.399 10 30 DGEEHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000185315479 526706502 /nfs/dbraw/zinc/70/65/02/526706502.db2.gz ZHLPDWQMLJKRFC-INIZCTEOSA-N 0 3 313.445 3.051 10 30 DGEEHN C=CCOc1ccccc1CN1CCC[C@](CO)(C(C)C)C1 ZINC000354559463 526930746 /nfs/dbraw/zinc/93/07/46/526930746.db2.gz FKXYKRSNWLHBPH-IBGZPJMESA-N 0 3 303.446 3.482 10 30 DGEEHN C=CCOc1ccccc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000354008099 526932212 /nfs/dbraw/zinc/93/22/12/526932212.db2.gz BIXNYBGJBFXOJM-SFHVURJKSA-N 0 3 317.429 3.021 10 30 DGEEHN C=CCOc1ccccc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000430154170 526932842 /nfs/dbraw/zinc/93/28/42/526932842.db2.gz WQTGYGGADVRTFO-SFHVURJKSA-N 0 3 301.430 3.500 10 30 DGEEHN C=CCOc1ccccc1CNC[C@H]1CCCCN1C1CC1 ZINC000434783541 526949048 /nfs/dbraw/zinc/94/90/48/526949048.db2.gz JMNHGJNYCILLGN-GOSISDBHSA-N 0 3 300.446 3.358 10 30 DGEEHN C=CCOc1ccccc1CNC[C@@H]1CCCCN1C1CC1 ZINC000434783542 526949171 /nfs/dbraw/zinc/94/91/71/526949171.db2.gz JMNHGJNYCILLGN-SFHVURJKSA-N 0 3 300.446 3.358 10 30 DGEEHN C=CC[C@@H](C)[C@H](C)NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000349147652 527034842 /nfs/dbraw/zinc/03/48/42/527034842.db2.gz IIVJSOZZYMAPSF-OLZOCXBDSA-N 0 3 302.418 3.436 10 30 DGEEHN C=CC[C@@H](CO)NCc1cc(Cl)c(OCCC)c(OC)c1 ZINC000184271332 527101385 /nfs/dbraw/zinc/10/13/85/527101385.db2.gz YKEYJRKOVTYVDS-ZDUSSCGKSA-N 0 3 313.825 3.164 10 30 DGEEHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000348269113 527193903 /nfs/dbraw/zinc/19/39/03/527193903.db2.gz DNPPDGDVEXXBPV-AWEZNQCLSA-N 0 3 312.417 3.302 10 30 DGEEHN C=CC[C@H](CO)NCc1cc(Br)ccc1Cl ZINC000184267724 527209980 /nfs/dbraw/zinc/20/99/80/527209980.db2.gz HVLZTQIPRGFMMP-LLVKDONJSA-N 0 3 304.615 3.129 10 30 DGEEHN C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415966985 527267779 /nfs/dbraw/zinc/26/77/79/527267779.db2.gz CSYIQMRJUFVDTN-GFCCVEGCSA-N 0 3 305.397 3.338 10 30 DGEEHN C=CCCC[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000180334162 546145105 /nfs/dbraw/zinc/14/51/05/546145105.db2.gz RXFXIIRBMHBAPH-RDJZCZTQSA-N 0 3 303.450 3.333 10 30 DGEEHN C=CCCCN(C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181299259 546155482 /nfs/dbraw/zinc/15/54/82/546155482.db2.gz WIPXRHJZCGRJHX-INIZCTEOSA-N 0 3 303.450 3.115 10 30 DGEEHN C=CCOc1ccc(CN2CCCCC[C@H]2CCO)cc1OC ZINC000342819210 546559638 /nfs/dbraw/zinc/55/96/38/546559638.db2.gz AAUJIBBBBPUYSB-KRWDZBQOSA-N 0 3 319.445 3.387 10 30 DGEEHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000585159407 547025844 /nfs/dbraw/zinc/02/58/44/547025844.db2.gz NZKJOEAYACKSDF-ZNRGTERASA-N 0 3 323.440 3.253 10 30 DGEEHN COc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cc1C#N ZINC000742370391 574992791 /nfs/dbraw/zinc/99/27/91/574992791.db2.gz QCAOPJQLWNNZIY-AWEZNQCLSA-N 0 3 321.380 3.320 10 30 DGEEHN C#CCC(C)(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000185303566 660214452 /nfs/dbraw/zinc/21/44/52/660214452.db2.gz ZWNKCRTVTNPRED-SFHVURJKSA-N 0 3 312.457 3.207 10 30 DGEEHN C#CCOc1ccc(Br)cc1CN[C@H]1CC12CC2 ZINC000715220840 661209321 /nfs/dbraw/zinc/20/93/21/661209321.db2.gz DMJLRNGZTVHBIF-AWEZNQCLSA-N 0 3 306.203 3.103 10 30 DGEEHN C#CC[C@@H](COC)NCc1ccc(Br)c(Cl)c1 ZINC000716936231 661234312 /nfs/dbraw/zinc/23/43/12/661234312.db2.gz RZJJENJLUAMXBL-NSHDSACASA-N 0 3 316.626 3.230 10 30 DGEEHN C#CCN(C)CCCNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000328041601 1176627073 /nfs/dbraw/zinc/62/70/73/1176627073.db2.gz XNCKHUOHTQXSCQ-UHFFFAOYSA-N 0 3 314.216 3.070 10 30 DGEEHN