smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737508547 945087687 /nfs/dbraw/zinc/08/76/87/945087687.db2.gz CBYYJCQREXPRCY-SNVBAGLBSA-N -1 3 382.428 0.857 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737508547 945087697 /nfs/dbraw/zinc/08/76/97/945087697.db2.gz CBYYJCQREXPRCY-SNVBAGLBSA-N -1 3 382.428 0.857 20 50 GCGDHM Cc1nnc(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000737534017 945091430 /nfs/dbraw/zinc/09/14/30/945091430.db2.gz QVDQWWKMRBFPBO-UHFFFAOYSA-N -1 3 376.427 0.580 20 50 GCGDHM Cc1nnc(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000737534017 945091438 /nfs/dbraw/zinc/09/14/38/945091438.db2.gz QVDQWWKMRBFPBO-UHFFFAOYSA-N -1 3 376.427 0.580 20 50 GCGDHM Cn1c(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)nc2ccccc21 ZINC000737589113 945098496 /nfs/dbraw/zinc/09/84/96/945098496.db2.gz ANYXRAFEFPBURE-UHFFFAOYSA-N -1 3 391.395 0.898 20 50 GCGDHM Cn1c(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)nc2ccccc21 ZINC000737589113 945098509 /nfs/dbraw/zinc/09/85/09/945098509.db2.gz ANYXRAFEFPBURE-UHFFFAOYSA-N -1 3 391.395 0.898 20 50 GCGDHM Cn1cc([C@H]2CCCN2C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737606031 945102438 /nfs/dbraw/zinc/10/24/38/945102438.db2.gz PPUUHHGFOGFZGW-CQSZACIVSA-N -1 3 381.400 0.792 20 50 GCGDHM Cn1cc([C@H]2CCCN2C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737606031 945102447 /nfs/dbraw/zinc/10/24/47/945102447.db2.gz PPUUHHGFOGFZGW-CQSZACIVSA-N -1 3 381.400 0.792 20 50 GCGDHM NC(=O)[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737729885 945118949 /nfs/dbraw/zinc/11/89/49/945118949.db2.gz FGQONIYFQJNQRQ-CYBMUJFWSA-N -1 3 380.368 0.037 20 50 GCGDHM NC(=O)[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737729885 945118954 /nfs/dbraw/zinc/11/89/54/945118954.db2.gz FGQONIYFQJNQRQ-CYBMUJFWSA-N -1 3 380.368 0.037 20 50 GCGDHM NC(=O)c1cccc(CCNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737760683 945122991 /nfs/dbraw/zinc/12/29/91/945122991.db2.gz JMMMDMWUDAFTEX-UHFFFAOYSA-N -1 3 394.395 0.152 20 50 GCGDHM NC(=O)c1cccc(CCNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737760683 945122995 /nfs/dbraw/zinc/12/29/95/945122995.db2.gz JMMMDMWUDAFTEX-UHFFFAOYSA-N -1 3 394.395 0.152 20 50 GCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1 ZINC000737778002 945124116 /nfs/dbraw/zinc/12/41/16/945124116.db2.gz VMDFDVGJFRSVHT-UHFFFAOYSA-N -1 3 378.356 0.038 20 50 GCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1 ZINC000737778002 945124123 /nfs/dbraw/zinc/12/41/23/945124123.db2.gz VMDFDVGJFRSVHT-UHFFFAOYSA-N -1 3 378.356 0.038 20 50 GCGDHM O=C(CCC1CCCC1)NCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737822302 945131038 /nfs/dbraw/zinc/13/10/38/945131038.db2.gz CWSBVVGSFYOGQC-UHFFFAOYSA-N -1 3 385.428 0.714 20 50 GCGDHM O=C(CCC1CCCC1)NCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737822302 945131053 /nfs/dbraw/zinc/13/10/53/945131053.db2.gz CWSBVVGSFYOGQC-UHFFFAOYSA-N -1 3 385.428 0.714 20 50 GCGDHM O=C(CCCc1nc(C2CC2)no1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737835465 945134073 /nfs/dbraw/zinc/13/40/73/945134073.db2.gz HTMSERLDZHSLCK-UHFFFAOYSA-N -1 3 382.384 0.911 20 50 GCGDHM O=C(CCCc1nc(C2CC2)no1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737835465 945134079 /nfs/dbraw/zinc/13/40/79/945134079.db2.gz HTMSERLDZHSLCK-UHFFFAOYSA-N -1 3 382.384 0.911 20 50 GCGDHM O=C(CCCc1ccccn1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737835356 945134698 /nfs/dbraw/zinc/13/46/98/945134698.db2.gz GRXPDWONWDISKQ-UHFFFAOYSA-N -1 3 381.396 0.811 20 50 GCGDHM O=C(CCCNC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737840983 945137418 /nfs/dbraw/zinc/13/74/18/945137418.db2.gz HKPFLVXGPXIIEK-UHFFFAOYSA-N -1 3 393.407 0.838 20 50 GCGDHM O=C(CCCNC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737840983 945137424 /nfs/dbraw/zinc/13/74/24/945137424.db2.gz HKPFLVXGPXIIEK-UHFFFAOYSA-N -1 3 393.407 0.838 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNC(=O)c1ccc(Cl)cc1 ZINC000737890102 945146357 /nfs/dbraw/zinc/14/63/57/945146357.db2.gz RLOUPNSCCUFERS-UHFFFAOYSA-N -1 3 399.798 0.711 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1ccc(Cl)cc1 ZINC000737890102 945146361 /nfs/dbraw/zinc/14/63/61/945146361.db2.gz RLOUPNSCCUFERS-UHFFFAOYSA-N -1 3 399.798 0.711 20 50 GCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cn1cnc2ccccc21 ZINC000737894800 945146715 /nfs/dbraw/zinc/14/67/15/945146715.db2.gz KJBHWCIZHNFCHO-UHFFFAOYSA-N -1 3 391.395 0.476 20 50 GCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCCc1cccs1 ZINC000737895815 945148562 /nfs/dbraw/zinc/14/85/62/945148562.db2.gz QVCPEYQSGHIWPO-UHFFFAOYSA-N -1 3 386.441 0.913 20 50 GCGDHM O=C(COCCOc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737916238 945149771 /nfs/dbraw/zinc/14/97/71/945149771.db2.gz NBQSXBZKTHPGRD-UHFFFAOYSA-N -1 3 382.380 0.723 20 50 GCGDHM O=C(COCCOc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737916238 945149775 /nfs/dbraw/zinc/14/97/75/945149775.db2.gz NBQSXBZKTHPGRD-UHFFFAOYSA-N -1 3 382.380 0.723 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000737918786 945151632 /nfs/dbraw/zinc/15/16/32/945151632.db2.gz LECZIZQIGRJWFD-OAHLLOKOSA-N -1 3 398.354 0.536 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=S)NC(C1CC1)C1CC1 ZINC000737919599 945153077 /nfs/dbraw/zinc/15/30/77/945153077.db2.gz VWLMNDCWIDXCOG-UHFFFAOYSA-N -1 3 387.469 0.929 20 50 GCGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNC(=O)COc1ccccc1O ZINC000737924521 945155542 /nfs/dbraw/zinc/15/55/42/945155542.db2.gz HMZVGXYYUGLLRE-UHFFFAOYSA-N -1 3 384.352 0.178 20 50 GCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNC(=O)COc1ccccc1O ZINC000737924521 945155547 /nfs/dbraw/zinc/15/55/47/945155547.db2.gz HMZVGXYYUGLLRE-UHFFFAOYSA-N -1 3 384.352 0.178 20 50 GCGDHM O=C(Cc1csc(-c2nc[nH]n2)n1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737978051 945171592 /nfs/dbraw/zinc/17/15/92/945171592.db2.gz OQQALIGDIWOTGC-UHFFFAOYSA-N -1 3 396.396 0.112 20 50 GCGDHM O=C(NC[C@H](CCO)c1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738036937 945173930 /nfs/dbraw/zinc/17/39/30/945173930.db2.gz AKQHGRXFIBIBFS-INIZCTEOSA-N -1 3 395.423 0.977 20 50 GCGDHM O=C(NC[C@H](CCO)c1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738036937 945173937 /nfs/dbraw/zinc/17/39/37/945173937.db2.gz AKQHGRXFIBIBFS-INIZCTEOSA-N -1 3 395.423 0.977 20 50 GCGDHM O=C(NC[C@H](O)Cc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738039908 945175042 /nfs/dbraw/zinc/17/50/42/945175042.db2.gz NURCGQMEKVJCDV-OAHLLOKOSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NC[C@H](O)Cc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738039908 945175047 /nfs/dbraw/zinc/17/50/47/945175047.db2.gz NURCGQMEKVJCDV-OAHLLOKOSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NCCn1cnc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738094537 945187492 /nfs/dbraw/zinc/18/74/92/945187492.db2.gz JTYCOVKUICVIFU-UHFFFAOYSA-N -1 3 391.395 0.861 20 50 GCGDHM O=C(NCCn1cnc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738094537 945187495 /nfs/dbraw/zinc/18/74/95/945187495.db2.gz JTYCOVKUICVIFU-UHFFFAOYSA-N -1 3 391.395 0.861 20 50 GCGDHM O=C(NCc1nccn1C(F)F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738122650 945192975 /nfs/dbraw/zinc/19/29/75/945192975.db2.gz GMPJMFFQMBOBGF-UHFFFAOYSA-N -1 3 377.315 0.603 20 50 GCGDHM O=C(NCc1nccn1C(F)F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738122650 945192980 /nfs/dbraw/zinc/19/29/80/945192980.db2.gz GMPJMFFQMBOBGF-UHFFFAOYSA-N -1 3 377.315 0.603 20 50 GCGDHM O=C(NCc1cn2c(n1)CCCC2)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738124420 945194132 /nfs/dbraw/zinc/19/41/32/945194132.db2.gz NMZOUPWSNIIPSL-UHFFFAOYSA-N -1 3 381.400 0.544 20 50 GCGDHM O=C(NCc1cn2c(n1)CCCC2)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738124420 945194140 /nfs/dbraw/zinc/19/41/40/945194140.db2.gz NMZOUPWSNIIPSL-UHFFFAOYSA-N -1 3 381.400 0.544 20 50 GCGDHM O=C(NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12)[C@H]1COc2ccccc2O1 ZINC000738130102 945207202 /nfs/dbraw/zinc/20/72/02/945207202.db2.gz JXPGPPCGTJNDOD-OAHLLOKOSA-N -1 3 390.363 0.805 20 50 GCGDHM O=C(NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12)[C@H]1COc2ccccc2O1 ZINC000738130102 945207212 /nfs/dbraw/zinc/20/72/12/945207212.db2.gz JXPGPPCGTJNDOD-OAHLLOKOSA-N -1 3 390.363 0.805 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130966 945212809 /nfs/dbraw/zinc/21/28/09/945212809.db2.gz YKYXNSCZFMXXRH-ZDUSSCGKSA-N -1 3 383.412 0.419 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130966 945212816 /nfs/dbraw/zinc/21/28/16/945212816.db2.gz YKYXNSCZFMXXRH-ZDUSSCGKSA-N -1 3 383.412 0.419 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCNC2=O)cc1 ZINC000738134486 945221432 /nfs/dbraw/zinc/22/14/32/945221432.db2.gz OPBCHXGRZVMTCS-UHFFFAOYSA-N -1 3 392.379 0.471 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCNC2=O)cc1 ZINC000738134486 945221436 /nfs/dbraw/zinc/22/14/36/945221436.db2.gz OPBCHXGRZVMTCS-UHFFFAOYSA-N -1 3 392.379 0.471 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738295528 945258105 /nfs/dbraw/zinc/25/81/05/945258105.db2.gz HYRZQMULUGLRBX-ZDUSSCGKSA-N -1 3 395.354 0.893 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738295528 945258108 /nfs/dbraw/zinc/25/81/08/945258108.db2.gz HYRZQMULUGLRBX-ZDUSSCGKSA-N -1 3 395.354 0.893 20 50 GCGDHM CC(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819832954 945297917 /nfs/dbraw/zinc/29/79/17/945297917.db2.gz DGSVWXJMOIQJEM-UHFFFAOYSA-N -1 3 397.351 0.015 20 50 GCGDHM CC(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819832954 945297930 /nfs/dbraw/zinc/29/79/30/945297930.db2.gz DGSVWXJMOIQJEM-UHFFFAOYSA-N -1 3 397.351 0.015 20 50 GCGDHM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000819865363 945300408 /nfs/dbraw/zinc/30/04/08/945300408.db2.gz DAEVVHHARWXPBQ-JTQLQIEISA-N -1 3 398.393 0.965 20 50 GCGDHM CC(C)(C)N1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000819914338 945311661 /nfs/dbraw/zinc/31/16/61/945311661.db2.gz QJXDCANDFLJVEF-LBPRGKRZSA-N -1 3 386.416 0.210 20 50 GCGDHM CC(C)(C)N1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000819914338 945311667 /nfs/dbraw/zinc/31/16/67/945311667.db2.gz QJXDCANDFLJVEF-LBPRGKRZSA-N -1 3 386.416 0.210 20 50 GCGDHM CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NN=c1ccc(C(N)=O)n[n-]1 ZINC000820031373 945332295 /nfs/dbraw/zinc/33/22/95/945332295.db2.gz DNTRNWDFSDBMSL-AWEZNQCLSA-N -1 3 397.399 0.302 20 50 GCGDHM CC(C)[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCS1 ZINC000820044565 945337590 /nfs/dbraw/zinc/33/75/90/945337590.db2.gz HFDWZGRBYPCQRY-AWEZNQCLSA-N -1 3 389.485 0.701 20 50 GCGDHM CC(C)[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCS1 ZINC000820044565 945337600 /nfs/dbraw/zinc/33/76/00/945337600.db2.gz HFDWZGRBYPCQRY-AWEZNQCLSA-N -1 3 389.485 0.701 20 50 GCGDHM CC(C)C[C@H](CCO)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820057145 945338208 /nfs/dbraw/zinc/33/82/08/945338208.db2.gz XGDIZPLISYOTJR-LBPRGKRZSA-N -1 3 375.433 0.855 20 50 GCGDHM CC(C)C[C@H](CCO)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820057145 945338218 /nfs/dbraw/zinc/33/82/18/945338218.db2.gz XGDIZPLISYOTJR-LBPRGKRZSA-N -1 3 375.433 0.855 20 50 GCGDHM CC(C)C[C@@H](CCO)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820056795 945338586 /nfs/dbraw/zinc/33/85/86/945338586.db2.gz SHVPOFKDLXLKIE-GFCCVEGCSA-N -1 3 375.433 0.855 20 50 GCGDHM CC(C)C[C@@H](CCO)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820056795 945338595 /nfs/dbraw/zinc/33/85/95/945338595.db2.gz SHVPOFKDLXLKIE-GFCCVEGCSA-N -1 3 375.433 0.855 20 50 GCGDHM CC(=O)Nc1ccc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735485324 944666501 /nfs/dbraw/zinc/66/65/01/944666501.db2.gz TUFIHCPQJMNNBQ-UHFFFAOYSA-N -1 3 379.380 0.829 20 50 GCGDHM CC(=O)Nc1ccc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735485324 944666507 /nfs/dbraw/zinc/66/65/07/944666507.db2.gz TUFIHCPQJMNNBQ-UHFFFAOYSA-N -1 3 379.380 0.829 20 50 GCGDHM CC(C)(C)SCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735642704 944684108 /nfs/dbraw/zinc/68/41/08/944684108.db2.gz DTQOAELPNYPPNE-UHFFFAOYSA-N -1 3 392.441 0.703 20 50 GCGDHM CC(C)(C)SCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735642704 944684117 /nfs/dbraw/zinc/68/41/17/944684117.db2.gz DTQOAELPNYPPNE-UHFFFAOYSA-N -1 3 392.441 0.703 20 50 GCGDHM CC(C)(C)[S@](=O)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735642700 944685076 /nfs/dbraw/zinc/68/50/76/944685076.db2.gz DOMUZFVNNULADI-AREMUKBSSA-N -1 3 379.446 0.358 20 50 GCGDHM CC(C)(C)[S@](=O)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735642700 944685079 /nfs/dbraw/zinc/68/50/79/944685079.db2.gz DOMUZFVNNULADI-AREMUKBSSA-N -1 3 379.446 0.358 20 50 GCGDHM CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000735755260 944696306 /nfs/dbraw/zinc/69/63/06/944696306.db2.gz DLFXTEXYJSYVGC-QMMMGPOBSA-N -1 3 389.445 0.390 20 50 GCGDHM CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000735755260 944696314 /nfs/dbraw/zinc/69/63/14/944696314.db2.gz DLFXTEXYJSYVGC-QMMMGPOBSA-N -1 3 389.445 0.390 20 50 GCGDHM CC(C)c1noc(CCCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000735952839 944727761 /nfs/dbraw/zinc/72/77/61/944727761.db2.gz NDLGLNIVKKWAPS-UHFFFAOYSA-N -1 3 399.415 0.950 20 50 GCGDHM CC(C)c1noc(CCCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000735952839 944727768 /nfs/dbraw/zinc/72/77/68/944727768.db2.gz NDLGLNIVKKWAPS-UHFFFAOYSA-N -1 3 399.415 0.950 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1 ZINC000736116104 944740925 /nfs/dbraw/zinc/74/09/25/944740925.db2.gz CBOFRXMTFSHVKH-LLVKDONJSA-N -1 3 394.395 0.838 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1 ZINC000736116104 944740930 /nfs/dbraw/zinc/74/09/30/944740930.db2.gz CBOFRXMTFSHVKH-LLVKDONJSA-N -1 3 394.395 0.838 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1 ZINC000736116107 944741240 /nfs/dbraw/zinc/74/12/40/944741240.db2.gz CBOFRXMTFSHVKH-NSHDSACASA-N -1 3 394.395 0.838 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1 ZINC000736116107 944741249 /nfs/dbraw/zinc/74/12/49/944741249.db2.gz CBOFRXMTFSHVKH-NSHDSACASA-N -1 3 394.395 0.838 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1 ZINC000736120461 944745962 /nfs/dbraw/zinc/74/59/62/944745962.db2.gz ZWVJZVZJGLWVDT-NSHDSACASA-N -1 3 394.395 0.838 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1 ZINC000736120461 944745970 /nfs/dbraw/zinc/74/59/70/944745970.db2.gz ZWVJZVZJGLWVDT-NSHDSACASA-N -1 3 394.395 0.838 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000736142480 944749046 /nfs/dbraw/zinc/74/90/46/944749046.db2.gz OVOTVEKZUGDDBL-MRXNPFEDSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000736142480 944749056 /nfs/dbraw/zinc/74/90/56/944749056.db2.gz OVOTVEKZUGDDBL-MRXNPFEDSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736144041 944749699 /nfs/dbraw/zinc/74/96/99/944749699.db2.gz XPCJAVOAMAKZCT-GOSISDBHSA-N -1 3 381.396 0.718 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736144041 944749704 /nfs/dbraw/zinc/74/97/04/944749704.db2.gz XPCJAVOAMAKZCT-GOSISDBHSA-N -1 3 381.396 0.718 20 50 GCGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=S)NCC1CCC1 ZINC000736184533 944754903 /nfs/dbraw/zinc/75/49/03/944754903.db2.gz LMARKULFURCBBL-JTQLQIEISA-N -1 3 375.458 0.929 20 50 GCGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=S)NCC1CCC1 ZINC000736184533 944754908 /nfs/dbraw/zinc/75/49/08/944754908.db2.gz LMARKULFURCBBL-JTQLQIEISA-N -1 3 375.458 0.929 20 50 GCGDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736222860 944768319 /nfs/dbraw/zinc/76/83/19/944768319.db2.gz GPRSPHPHEJQEHW-NFWWYOGNSA-N -1 3 377.430 0.062 20 50 GCGDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736222860 944768321 /nfs/dbraw/zinc/76/83/21/944768321.db2.gz GPRSPHPHEJQEHW-NFWWYOGNSA-N -1 3 377.430 0.062 20 50 GCGDHM C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736273346 944784738 /nfs/dbraw/zinc/78/47/38/944784738.db2.gz RPVDQIHNGFQKFP-IUODEOHRSA-N -1 3 388.428 0.988 20 50 GCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736305846 944797717 /nfs/dbraw/zinc/79/77/17/944797717.db2.gz XHLAOHIFBZNNOK-LLVKDONJSA-N -1 3 390.423 0.074 20 50 GCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736305846 944797727 /nfs/dbraw/zinc/79/77/27/944797727.db2.gz XHLAOHIFBZNNOK-LLVKDONJSA-N -1 3 390.423 0.074 20 50 GCGDHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736320627 944800280 /nfs/dbraw/zinc/80/02/80/944800280.db2.gz VMDOHYLDQOZMDQ-SWLSCSKDSA-N -1 3 399.455 0.912 20 50 GCGDHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736320627 944800281 /nfs/dbraw/zinc/80/02/81/944800281.db2.gz VMDOHYLDQOZMDQ-SWLSCSKDSA-N -1 3 399.455 0.912 20 50 GCGDHM CCCC[C@H](COC)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736437786 944821248 /nfs/dbraw/zinc/82/12/48/944821248.db2.gz KZHWKDQNEWDXCH-GFCCVEGCSA-N -1 3 391.432 0.781 20 50 GCGDHM CCCC[C@H](COC)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736437786 944821254 /nfs/dbraw/zinc/82/12/54/944821254.db2.gz KZHWKDQNEWDXCH-GFCCVEGCSA-N -1 3 391.432 0.781 20 50 GCGDHM CCCNC(=O)CN(CCC)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736483468 944830829 /nfs/dbraw/zinc/83/08/29/944830829.db2.gz JQIDNHZADOVDHM-UHFFFAOYSA-N -1 3 388.432 0.459 20 50 GCGDHM CCCNC(=O)CN(CCC)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736483468 944830843 /nfs/dbraw/zinc/83/08/43/944830843.db2.gz JQIDNHZADOVDHM-UHFFFAOYSA-N -1 3 388.432 0.459 20 50 GCGDHM CCc1cc(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)on1 ZINC000736675984 944866401 /nfs/dbraw/zinc/86/64/01/944866401.db2.gz NRVQSRNSQRZKFB-UHFFFAOYSA-N -1 3 386.372 0.327 20 50 GCGDHM CN(CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000736799657 944893482 /nfs/dbraw/zinc/89/34/82/944893482.db2.gz CDYYTWWQQHHKNE-UHFFFAOYSA-N -1 3 386.338 0.305 20 50 GCGDHM CN(CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000736799657 944893490 /nfs/dbraw/zinc/89/34/90/944893490.db2.gz CDYYTWWQQHHKNE-UHFFFAOYSA-N -1 3 386.338 0.305 20 50 GCGDHM CNC(=O)[C@@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736872039 944903414 /nfs/dbraw/zinc/90/34/14/944903414.db2.gz WAHMKUAPWXMYQP-AISSWFOISA-N -1 3 382.428 0.405 20 50 GCGDHM CNC(=O)[C@@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736872039 944903420 /nfs/dbraw/zinc/90/34/20/944903420.db2.gz WAHMKUAPWXMYQP-AISSWFOISA-N -1 3 382.428 0.405 20 50 GCGDHM COC(=O)[C@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736893621 944905517 /nfs/dbraw/zinc/90/55/17/944905517.db2.gz ADCXTHKHKPTFOM-HZPDHXFCSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736893621 944905522 /nfs/dbraw/zinc/90/55/22/944905522.db2.gz ADCXTHKHKPTFOM-HZPDHXFCSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736897434 944907399 /nfs/dbraw/zinc/90/73/99/944907399.db2.gz MDPIMSRMNKNSIJ-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736897434 944907402 /nfs/dbraw/zinc/90/74/02/944907402.db2.gz MDPIMSRMNKNSIJ-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)C[C@H](C)SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736910523 944909349 /nfs/dbraw/zinc/90/93/49/944909349.db2.gz FOYXHPKUOIIAHU-VIFPVBQESA-N -1 3 378.414 0.313 20 50 GCGDHM COC(=O)C[C@H](C)SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736910523 944909354 /nfs/dbraw/zinc/90/93/54/944909354.db2.gz FOYXHPKUOIIAHU-VIFPVBQESA-N -1 3 378.414 0.313 20 50 GCGDHM COC(=O)[C@@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736912132 944912485 /nfs/dbraw/zinc/91/24/85/944912485.db2.gz ZBIYOUWIHPSOCM-AISSWFOISA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)[C@@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736912132 944912492 /nfs/dbraw/zinc/91/24/92/944912492.db2.gz ZBIYOUWIHPSOCM-AISSWFOISA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736947007 944917292 /nfs/dbraw/zinc/91/72/92/944917292.db2.gz AEWIHFWZFIALLX-UHFFFAOYSA-N -1 3 395.379 0.798 20 50 GCGDHM COC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736947007 944917298 /nfs/dbraw/zinc/91/72/98/944917298.db2.gz AEWIHFWZFIALLX-UHFFFAOYSA-N -1 3 395.379 0.798 20 50 GCGDHM COCCCNC(=S)N(C)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736987141 944926661 /nfs/dbraw/zinc/92/66/61/944926661.db2.gz UDRKOOHNCXFALP-UHFFFAOYSA-N -1 3 379.446 0.120 20 50 GCGDHM COCCCNC(=S)N(C)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736987141 944926667 /nfs/dbraw/zinc/92/66/67/944926667.db2.gz UDRKOOHNCXFALP-UHFFFAOYSA-N -1 3 379.446 0.120 20 50 GCGDHM COCCCNC(=S)N(C)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736988059 944928219 /nfs/dbraw/zinc/92/82/19/944928219.db2.gz ZTABRDZEXPZVPJ-NSHDSACASA-N -1 3 393.473 0.508 20 50 GCGDHM COCCOc1ccccc1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737016020 944933345 /nfs/dbraw/zinc/93/33/45/944933345.db2.gz UDJCOFQKSCSREL-UHFFFAOYSA-N -1 3 382.380 0.967 20 50 GCGDHM COCCOc1ccccc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737016020 944933348 /nfs/dbraw/zinc/93/33/48/944933348.db2.gz UDJCOFQKSCSREL-UHFFFAOYSA-N -1 3 382.380 0.967 20 50 GCGDHM CS(=O)(=O)[C@H]1CCCC1=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737161426 944973076 /nfs/dbraw/zinc/97/30/76/944973076.db2.gz JLBPSAQXBUPIEP-ZDUSSCGKSA-N -1 3 378.414 0.315 20 50 GCGDHM CS(=O)(=O)[C@H]1CCCC1=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737161426 944973081 /nfs/dbraw/zinc/97/30/81/944973081.db2.gz JLBPSAQXBUPIEP-ZDUSSCGKSA-N -1 3 378.414 0.315 20 50 GCGDHM C[S@](=O)Cc1cccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737173568 944976906 /nfs/dbraw/zinc/97/69/06/944976906.db2.gz PJIXNPPXSVNHNJ-MHZLTWQESA-N -1 3 384.421 0.820 20 50 GCGDHM C[S@](=O)Cc1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737173568 944976911 /nfs/dbraw/zinc/97/69/11/944976911.db2.gz PJIXNPPXSVNHNJ-MHZLTWQESA-N -1 3 384.421 0.820 20 50 GCGDHM CSc1nc(C2CC2)cc(C(=O)NNC(=O)c2c[nH]nc2C)c1-c1nnn[n-]1 ZINC000737188749 944978017 /nfs/dbraw/zinc/97/80/17/944978017.db2.gz GDQUSSHQMZLTSI-UHFFFAOYSA-N -1 3 399.440 0.967 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCOC[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000737211611 944987343 /nfs/dbraw/zinc/98/73/43/944987343.db2.gz DOMWZDZSKKCMBU-XTIFCCNPSA-N -1 3 399.455 0.980 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCOC[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000737211611 944987351 /nfs/dbraw/zinc/98/73/51/944987351.db2.gz DOMWZDZSKKCMBU-XTIFCCNPSA-N -1 3 399.455 0.980 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2CCO[C@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212056 944990463 /nfs/dbraw/zinc/99/04/63/944990463.db2.gz HITLUVHZSKZAMH-AZZDOICSSA-N -1 3 384.444 0.258 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCc3ncnn3C2)cc(-c2nnn[n-]2)n1C ZINC000737212994 944997969 /nfs/dbraw/zinc/99/79/69/944997969.db2.gz OTZIJEGIHVDUKB-YFTXEMMHSA-N -1 3 378.400 0.143 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCc3ncnn3C2)cc(-c2nn[n-]n2)n1C ZINC000737212994 944997973 /nfs/dbraw/zinc/99/79/73/944997973.db2.gz OTZIJEGIHVDUKB-YFTXEMMHSA-N -1 3 378.400 0.143 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)NCC2CCC2)cc(-c2nnn[n-]2)n1C ZINC000737213239 944998878 /nfs/dbraw/zinc/99/88/78/944998878.db2.gz RBDWXKSZMIYMNF-MKMNVTDBSA-N -1 3 383.412 0.880 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)NCC2CCC2)cc(-c2nn[n-]n2)n1C ZINC000737213239 944998886 /nfs/dbraw/zinc/99/88/86/944998886.db2.gz RBDWXKSZMIYMNF-MKMNVTDBSA-N -1 3 383.412 0.880 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCN2CCOC2=O)cc(-c2nnn[n-]2)n1C ZINC000737213492 945004628 /nfs/dbraw/zinc/00/46/28/945004628.db2.gz UJVZJMGCSOQIKC-MDWZMJQESA-N -1 3 384.400 0.379 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCN2CCOC2=O)cc(-c2nn[n-]n2)n1C ZINC000737213492 945004638 /nfs/dbraw/zinc/00/46/38/945004638.db2.gz UJVZJMGCSOQIKC-MDWZMJQESA-N -1 3 384.400 0.379 20 50 GCGDHM Cc1cc(C)cc(OCC(=O)NN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737251562 945018951 /nfs/dbraw/zinc/01/89/51/945018951.db2.gz UATHYIAGNLTZAF-KRWDZBQOSA-N -1 3 395.423 0.710 20 50 GCGDHM Cc1cc(C)cc(OCC(=O)NN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737251562 945018958 /nfs/dbraw/zinc/01/89/58/945018958.db2.gz UATHYIAGNLTZAF-KRWDZBQOSA-N -1 3 395.423 0.710 20 50 GCGDHM Cc1cc(N)nc(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737269698 945025460 /nfs/dbraw/zinc/02/54/60/945025460.db2.gz GWXFELIIHOOITC-UHFFFAOYSA-N -1 3 385.413 0.101 20 50 GCGDHM Cc1cc(N)nc(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737269698 945025472 /nfs/dbraw/zinc/02/54/72/945025472.db2.gz GWXFELIIHOOITC-UHFFFAOYSA-N -1 3 385.413 0.101 20 50 GCGDHM Cc1ccccc1[C@H](O)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737419970 945062000 /nfs/dbraw/zinc/06/20/00/945062000.db2.gz GJLYFOMJSDTBKT-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccccc1[C@H](O)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737419970 945062012 /nfs/dbraw/zinc/06/20/12/945062012.db2.gz GJLYFOMJSDTBKT-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM C[C@@H](CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000820226031 945390388 /nfs/dbraw/zinc/39/03/88/945390388.db2.gz SFUBBWAXYWHNIW-LBPRGKRZSA-N -1 3 381.396 0.982 20 50 GCGDHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820286402 945404849 /nfs/dbraw/zinc/40/48/49/945404849.db2.gz AYAFTUQTIXVWSZ-GXFFZTMASA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820286402 945404855 /nfs/dbraw/zinc/40/48/55/945404855.db2.gz AYAFTUQTIXVWSZ-GXFFZTMASA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820299210 945409303 /nfs/dbraw/zinc/40/93/03/945409303.db2.gz DWJZGZFBGOLJDE-LBPRGKRZSA-N -1 3 396.411 0.602 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC000820373447 945434669 /nfs/dbraw/zinc/43/46/69/945434669.db2.gz HRZRVVVYEVMIMT-MNOVXSKESA-N -1 3 375.389 0.001 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000820373447 945434675 /nfs/dbraw/zinc/43/46/75/945434675.db2.gz HRZRVVVYEVMIMT-MNOVXSKESA-N -1 3 375.389 0.001 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374996 945439130 /nfs/dbraw/zinc/43/91/30/945439130.db2.gz VLCRNYRPOVECGX-JTQLQIEISA-N -1 3 398.383 0.281 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374996 945439146 /nfs/dbraw/zinc/43/91/46/945439146.db2.gz VLCRNYRPOVECGX-JTQLQIEISA-N -1 3 398.383 0.281 20 50 GCGDHM C[C@@]1(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCCO1 ZINC000820618723 945499214 /nfs/dbraw/zinc/49/92/14/945499214.db2.gz MWWKKKHRNRHSAF-INIZCTEOSA-N -1 3 375.389 0.145 20 50 GCGDHM C[C@@]1(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCCO1 ZINC000820618723 945499217 /nfs/dbraw/zinc/49/92/17/945499217.db2.gz MWWKKKHRNRHSAF-INIZCTEOSA-N -1 3 375.389 0.145 20 50 GCGDHM C[C@@]1(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC000820618904 945501938 /nfs/dbraw/zinc/50/19/38/945501938.db2.gz SHQWTGFWZRQASB-INIZCTEOSA-N -1 3 375.389 0.145 20 50 GCGDHM C[C@@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690007 945525861 /nfs/dbraw/zinc/52/58/61/945525861.db2.gz FFOFKLOWPHGFSM-RISCZKNCSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690007 945525868 /nfs/dbraw/zinc/52/58/68/945525868.db2.gz FFOFKLOWPHGFSM-RISCZKNCSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690004 945526096 /nfs/dbraw/zinc/52/60/96/945526096.db2.gz FFOFKLOWPHGFSM-BXUZGUMPSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690004 945526102 /nfs/dbraw/zinc/52/61/02/945526102.db2.gz FFOFKLOWPHGFSM-BXUZGUMPSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820770042 945557479 /nfs/dbraw/zinc/55/74/79/945557479.db2.gz YUPHYTFNAUUIGE-ZWNOBZJWSA-N -1 3 394.461 0.163 20 50 GCGDHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820770042 945557486 /nfs/dbraw/zinc/55/74/86/945557486.db2.gz YUPHYTFNAUUIGE-ZWNOBZJWSA-N -1 3 394.461 0.163 20 50 GCGDHM CC[C@@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820971909 945602243 /nfs/dbraw/zinc/60/22/43/945602243.db2.gz HXNTYDLUJBQILK-OLZOCXBDSA-N -1 3 388.384 0.129 20 50 GCGDHM CC[C@@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820971909 945602254 /nfs/dbraw/zinc/60/22/54/945602254.db2.gz HXNTYDLUJBQILK-OLZOCXBDSA-N -1 3 388.384 0.129 20 50 GCGDHM CCNC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821286257 945663831 /nfs/dbraw/zinc/66/38/31/945663831.db2.gz PADWQIGPHJHGRQ-LVOZBFFPSA-N -1 3 397.443 0.341 20 50 GCGDHM CCNC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821286257 945663838 /nfs/dbraw/zinc/66/38/38/945663838.db2.gz PADWQIGPHJHGRQ-LVOZBFFPSA-N -1 3 397.443 0.341 20 50 GCGDHM CCOC(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821343530 945674616 /nfs/dbraw/zinc/67/46/16/945674616.db2.gz OXQYIETZNXEYJV-UHFFFAOYSA-N -1 3 399.367 0.781 20 50 GCGDHM CCOC(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821343530 945674621 /nfs/dbraw/zinc/67/46/21/945674621.db2.gz OXQYIETZNXEYJV-UHFFFAOYSA-N -1 3 399.367 0.781 20 50 GCGDHM CCOC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821369388 945684807 /nfs/dbraw/zinc/68/48/07/945684807.db2.gz ZYZPHSJRDHFTNZ-ZDUSSCGKSA-N -1 3 387.444 0.376 20 50 GCGDHM CCc1n[nH]c(=O)c(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1CC ZINC000821504474 945712543 /nfs/dbraw/zinc/71/25/43/945712543.db2.gz FVIACUCPGAVYDD-UHFFFAOYSA-N -1 3 382.384 0.562 20 50 GCGDHM CCc1n[nH]c(=O)c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1CC ZINC000821504474 945712549 /nfs/dbraw/zinc/71/25/49/945712549.db2.gz FVIACUCPGAVYDD-UHFFFAOYSA-N -1 3 382.384 0.562 20 50 GCGDHM CCc1oc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000821563921 945716469 /nfs/dbraw/zinc/71/64/69/945716469.db2.gz MGSLYHHZYZPNKQ-UHFFFAOYSA-N -1 3 398.379 0.949 20 50 GCGDHM CCc1oc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000821563921 945716473 /nfs/dbraw/zinc/71/64/73/945716473.db2.gz MGSLYHHZYZPNKQ-UHFFFAOYSA-N -1 3 398.379 0.949 20 50 GCGDHM CN(C)c1nc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000821590888 945728808 /nfs/dbraw/zinc/72/88/08/945728808.db2.gz KMLJVAGNCVGGLN-UHFFFAOYSA-N -1 3 387.429 0.533 20 50 GCGDHM CN(C)c1nc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000821590888 945728814 /nfs/dbraw/zinc/72/88/14/945728814.db2.gz KMLJVAGNCVGGLN-UHFFFAOYSA-N -1 3 387.429 0.533 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccc(C#N)cc1 ZINC000821593638 945730731 /nfs/dbraw/zinc/73/07/31/945730731.db2.gz CPMWMAHKAKTNKF-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccc(C#N)cc1 ZINC000821593638 945730734 /nfs/dbraw/zinc/73/07/34/945730734.db2.gz CPMWMAHKAKTNKF-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM CNc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821637694 945763168 /nfs/dbraw/zinc/76/31/68/945763168.db2.gz PRZBYNNBLRGEPB-UHFFFAOYSA-N -1 3 395.379 0.526 20 50 GCGDHM CNc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821637694 945763173 /nfs/dbraw/zinc/76/31/73/945763173.db2.gz PRZBYNNBLRGEPB-UHFFFAOYSA-N -1 3 395.379 0.526 20 50 GCGDHM COC(=O)[C@H](NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000821644704 945770457 /nfs/dbraw/zinc/77/04/57/945770457.db2.gz GYQWSEZAIZOFOM-MRXNPFEDSA-N -1 3 382.380 0.781 20 50 GCGDHM COC(=O)[C@H](NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000821644704 945770462 /nfs/dbraw/zinc/77/04/62/945770462.db2.gz GYQWSEZAIZOFOM-MRXNPFEDSA-N -1 3 382.380 0.781 20 50 GCGDHM COC(=O)[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C[C@@H]1C ZINC000821655091 945778156 /nfs/dbraw/zinc/77/81/56/945778156.db2.gz FCBPJANWKARLLO-YJDXPUEZSA-N -1 3 383.412 0.688 20 50 GCGDHM COC(=O)[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C[C@@H]1C ZINC000821655091 945778164 /nfs/dbraw/zinc/77/81/64/945778164.db2.gz FCBPJANWKARLLO-YJDXPUEZSA-N -1 3 383.412 0.688 20 50 GCGDHM CO[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821678380 945795638 /nfs/dbraw/zinc/79/56/38/945795638.db2.gz NCDUHAWNEFDOLO-CHWSQXEVSA-N -1 3 389.416 0.389 20 50 GCGDHM CO[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821678380 945795648 /nfs/dbraw/zinc/79/56/48/945795648.db2.gz NCDUHAWNEFDOLO-CHWSQXEVSA-N -1 3 389.416 0.389 20 50 GCGDHM COCCC(=O)N1CCC(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821684853 945811262 /nfs/dbraw/zinc/81/12/62/945811262.db2.gz MHWREYXYCVPRLF-UHFFFAOYSA-N -1 3 388.432 0.520 20 50 GCGDHM COCCC(=O)N1CCC(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821684853 945811267 /nfs/dbraw/zinc/81/12/67/945811267.db2.gz MHWREYXYCVPRLF-UHFFFAOYSA-N -1 3 388.432 0.520 20 50 GCGDHM COCCCNC(=O)NNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821687972 945814318 /nfs/dbraw/zinc/81/43/18/945814318.db2.gz XUMWDMDTMUONCN-UHFFFAOYSA-N -1 3 377.405 0.391 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821691765 945819162 /nfs/dbraw/zinc/81/91/62/945819162.db2.gz CUBOBVLVLRHAQQ-QWRGUYRKSA-N -1 3 377.405 0.310 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821691765 945819176 /nfs/dbraw/zinc/81/91/76/945819176.db2.gz CUBOBVLVLRHAQQ-QWRGUYRKSA-N -1 3 377.405 0.310 20 50 GCGDHM COCCc1cc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n(C)n1 ZINC000821694710 945827321 /nfs/dbraw/zinc/82/73/21/945827321.db2.gz ZDZMJNXYPLFFPY-NTUHNPAUSA-N -1 3 395.427 0.982 20 50 GCGDHM COCCc1cc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n(C)n1 ZINC000821694710 945827337 /nfs/dbraw/zinc/82/73/37/945827337.db2.gz ZDZMJNXYPLFFPY-NTUHNPAUSA-N -1 3 395.427 0.982 20 50 GCGDHM COc1cc2c(nn1)CCN(C(=O)NNC(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000821727092 945849154 /nfs/dbraw/zinc/84/91/54/945849154.db2.gz BRVQRXUKBAOFEY-UHFFFAOYSA-N -1 3 395.383 0.078 20 50 GCGDHM COc1cc2c(nn1)CCN(C(=O)NNC(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000821727092 945849167 /nfs/dbraw/zinc/84/91/67/945849167.db2.gz BRVQRXUKBAOFEY-UHFFFAOYSA-N -1 3 395.383 0.078 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCOC3(CCOCC3)C2)cc(-c2nnn[n-]2)n1C ZINC000822026911 945926719 /nfs/dbraw/zinc/92/67/19/945926719.db2.gz BICLUCGGFLQNSG-DHDCSXOGSA-N -1 3 397.439 0.829 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCOC3(CCOCC3)C2)cc(-c2nn[n-]n2)n1C ZINC000822026911 945926731 /nfs/dbraw/zinc/92/67/31/945926731.db2.gz BICLUCGGFLQNSG-DHDCSXOGSA-N -1 3 397.439 0.829 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc(-c2nn[n-]n2)n1C ZINC000822027487 945934342 /nfs/dbraw/zinc/93/43/42/945934342.db2.gz HHKZSRQNFCUHAT-QQBLOHQYSA-N -1 3 384.444 0.256 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)CCS(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822028570 945946862 /nfs/dbraw/zinc/94/68/62/945946862.db2.gz QCZRNKUQLZGSDC-BNDQCTAISA-N -1 3 391.457 0.360 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)CCS(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822028570 945946871 /nfs/dbraw/zinc/94/68/71/945946871.db2.gz QCZRNKUQLZGSDC-BNDQCTAISA-N -1 3 391.457 0.360 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCCS(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822029125 945951769 /nfs/dbraw/zinc/95/17/69/945951769.db2.gz VYBBUWJPUKCOMC-JYRVWZFOSA-N -1 3 392.441 0.789 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCCS(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822029125 945951781 /nfs/dbraw/zinc/95/17/81/945951781.db2.gz VYBBUWJPUKCOMC-JYRVWZFOSA-N -1 3 392.441 0.789 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000822184630 945975054 /nfs/dbraw/zinc/97/50/54/945975054.db2.gz YGUWIXNRORSNBB-UHFFFAOYSA-N -1 3 384.352 0.695 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000822184630 945975061 /nfs/dbraw/zinc/97/50/61/945975061.db2.gz YGUWIXNRORSNBB-UHFFFAOYSA-N -1 3 384.352 0.695 20 50 GCGDHM Cc1cc(C[C@H](C)NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)[nH]n1 ZINC000822199818 945985439 /nfs/dbraw/zinc/98/54/39/945985439.db2.gz IZESDWQICOPVOM-JTQLQIEISA-N -1 3 399.415 0.239 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1C ZINC000822227746 946008413 /nfs/dbraw/zinc/00/84/13/946008413.db2.gz ULJONFUGOOKOPC-UHFFFAOYSA-N -1 3 383.368 0.132 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1C ZINC000822227746 946008423 /nfs/dbraw/zinc/00/84/23/946008423.db2.gz ULJONFUGOOKOPC-UHFFFAOYSA-N -1 3 383.368 0.132 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822227455 946008700 /nfs/dbraw/zinc/00/87/00/946008700.db2.gz JNIAGJXOYJAKAK-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822227455 946008709 /nfs/dbraw/zinc/00/87/09/946008709.db2.gz JNIAGJXOYJAKAK-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC000822227843 946008796 /nfs/dbraw/zinc/00/87/96/946008796.db2.gz XXKBGDWMFZUBKN-UHFFFAOYSA-N -1 3 383.368 0.132 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC000822227843 946008804 /nfs/dbraw/zinc/00/88/04/946008804.db2.gz XXKBGDWMFZUBKN-UHFFFAOYSA-N -1 3 383.368 0.132 20 50 GCGDHM Cc1ccc(N)c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822241006 946026721 /nfs/dbraw/zinc/02/67/21/946026721.db2.gz IHIUSVNSOVVHHN-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1ccc(N)c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822241006 946026736 /nfs/dbraw/zinc/02/67/36/946026736.db2.gz IHIUSVNSOVVHHN-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822283816 946042431 /nfs/dbraw/zinc/04/24/31/946042431.db2.gz DTIXLMYYSOLEHX-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822283816 946042444 /nfs/dbraw/zinc/04/24/44/946042444.db2.gz DTIXLMYYSOLEHX-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1ccccc1CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822356134 946066597 /nfs/dbraw/zinc/06/65/97/946066597.db2.gz KKMIPPAXLIIZBX-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1ccccc1CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822356134 946066611 /nfs/dbraw/zinc/06/66/11/946066611.db2.gz KKMIPPAXLIIZBX-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)NCc1ccc(-c3nnn[n-]3)cc1)[nH]c2=O ZINC000822709282 946162919 /nfs/dbraw/zinc/16/29/19/946162919.db2.gz IYRLIZQTPAQNBJ-UHFFFAOYSA-N -1 3 381.360 0.075 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)NCc1ccc(-c3nn[n-]n3)cc1)[nH]c2=O ZINC000822709282 946162929 /nfs/dbraw/zinc/16/29/29/946162929.db2.gz IYRLIZQTPAQNBJ-UHFFFAOYSA-N -1 3 381.360 0.075 20 50 GCGDHM N#Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822822862 946196162 /nfs/dbraw/zinc/19/61/62/946196162.db2.gz FTSOFMVBRMCOEQ-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM N#Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822822862 946196167 /nfs/dbraw/zinc/19/61/67/946196167.db2.gz FTSOFMVBRMCOEQ-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM NC(=O)c1ccc(=NNC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)[n-]n1 ZINC000822884846 946211864 /nfs/dbraw/zinc/21/18/64/946211864.db2.gz AVGCLTSTWITJNR-UHFFFAOYSA-N -1 3 385.413 0.132 20 50 GCGDHM Nc1c(F)cccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822902555 946214245 /nfs/dbraw/zinc/21/42/45/946214245.db2.gz CXRUDXDGSGKXGY-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM Nc1c(F)cccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822902555 946214252 /nfs/dbraw/zinc/21/42/52/946214252.db2.gz CXRUDXDGSGKXGY-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM Nc1cc(F)ccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822907281 946216481 /nfs/dbraw/zinc/21/64/81/946216481.db2.gz FXVXGXFHQGISIK-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM Nc1cc(F)ccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822907281 946216491 /nfs/dbraw/zinc/21/64/91/946216491.db2.gz FXVXGXFHQGISIK-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822911935 946217195 /nfs/dbraw/zinc/21/71/95/946217195.db2.gz FDAREOSFGXCYIC-UHFFFAOYSA-N -1 3 376.332 0.408 20 50 GCGDHM O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822911935 946217207 /nfs/dbraw/zinc/21/72/07/946217207.db2.gz FDAREOSFGXCYIC-UHFFFAOYSA-N -1 3 376.332 0.408 20 50 GCGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNC(=O)C(=O)Nc1ccccn1 ZINC000822928316 946220830 /nfs/dbraw/zinc/22/08/30/946220830.db2.gz GTMDZKUDYQIGON-HJWRWDBZSA-N -1 3 378.352 0.061 20 50 GCGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNC(=O)C(=O)Nc1ccccn1 ZINC000822928316 946220842 /nfs/dbraw/zinc/22/08/42/946220842.db2.gz GTMDZKUDYQIGON-HJWRWDBZSA-N -1 3 378.352 0.061 20 50 GCGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1cn2ccccc2n1 ZINC000822977900 946244329 /nfs/dbraw/zinc/24/43/29/946244329.db2.gz BLABRQDAAAKGDU-UHFFFAOYSA-N -1 3 390.407 0.837 20 50 GCGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cn2ccccc2n1 ZINC000822977900 946244339 /nfs/dbraw/zinc/24/43/39/946244339.db2.gz BLABRQDAAAKGDU-UHFFFAOYSA-N -1 3 390.407 0.837 20 50 GCGDHM O=C(CN1CC[C@@H](c2ccco2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822991297 946249167 /nfs/dbraw/zinc/24/91/67/946249167.db2.gz ACWQAWZFOKDHSO-CQSZACIVSA-N -1 3 381.396 0.710 20 50 GCGDHM O=C(CN1CCc2ccccc2CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823001000 946259718 /nfs/dbraw/zinc/25/97/18/946259718.db2.gz HLAWZSLCBTZGPD-UHFFFAOYSA-N -1 3 391.435 0.729 20 50 GCGDHM O=C(CN1CCO[C@H](c2ccco2)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823001311 946260526 /nfs/dbraw/zinc/26/05/26/946260526.db2.gz KVVAZNFCXDHYMQ-HNNXBMFYSA-N -1 3 397.395 0.294 20 50 GCGDHM O=C(CN1CCO[C@H](c2ccco2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823001311 946260534 /nfs/dbraw/zinc/26/05/34/946260534.db2.gz KVVAZNFCXDHYMQ-HNNXBMFYSA-N -1 3 397.395 0.294 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNC(=S)Nc1ccccn1 ZINC000823005103 946262754 /nfs/dbraw/zinc/26/27/54/946262754.db2.gz BWGAHFRNWGWYBT-UHFFFAOYSA-N -1 3 397.424 0.009 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNC(=S)Nc1ccccn1 ZINC000823005103 946262763 /nfs/dbraw/zinc/26/27/63/946262763.db2.gz BWGAHFRNWGWYBT-UHFFFAOYSA-N -1 3 397.424 0.009 20 50 GCGDHM O=C(CNC(=O)c1cccs1)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823005476 946263788 /nfs/dbraw/zinc/26/37/88/946263788.db2.gz SMHCHDHKUSAOKJ-UHFFFAOYSA-N -1 3 385.409 0.048 20 50 GCGDHM O=C(CNC(=O)c1cccs1)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823005476 946263796 /nfs/dbraw/zinc/26/37/96/946263796.db2.gz SMHCHDHKUSAOKJ-UHFFFAOYSA-N -1 3 385.409 0.048 20 50 GCGDHM O=C(COC(=O)CSC(F)F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018237 946270967 /nfs/dbraw/zinc/27/09/67/946270967.db2.gz IYDPUJVIZSSFNH-UHFFFAOYSA-N -1 3 386.340 0.127 20 50 GCGDHM O=C(COC(=O)CSC(F)F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018237 946270975 /nfs/dbraw/zinc/27/09/75/946270975.db2.gz IYDPUJVIZSSFNH-UHFFFAOYSA-N -1 3 386.340 0.127 20 50 GCGDHM O=C(COC(=O)CCc1ccco1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018101 946271057 /nfs/dbraw/zinc/27/10/57/946271057.db2.gz HLKXFCCRMQDTEH-UHFFFAOYSA-N -1 3 384.352 0.397 20 50 GCGDHM O=C(COC(=O)CCc1ccco1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018101 946271063 /nfs/dbraw/zinc/27/10/63/946271063.db2.gz HLKXFCCRMQDTEH-UHFFFAOYSA-N -1 3 384.352 0.397 20 50 GCGDHM O=C(C=C(C1CC1)C1CC1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018522 946273668 /nfs/dbraw/zinc/27/36/68/946273668.db2.gz QHMNULPBYDDYSX-UHFFFAOYSA-N -1 3 396.407 0.917 20 50 GCGDHM O=C(C=C(C1CC1)C1CC1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018522 946273674 /nfs/dbraw/zinc/27/36/74/946273674.db2.gz QHMNULPBYDDYSX-UHFFFAOYSA-N -1 3 396.407 0.917 20 50 GCGDHM O=C(COC(=O)CCC(F)(F)F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018502 946273690 /nfs/dbraw/zinc/27/36/90/946273690.db2.gz PMVKMDMGIWBFDC-UHFFFAOYSA-N -1 3 386.290 0.513 20 50 GCGDHM O=C(COC(=O)CCC(F)(F)F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018502 946273698 /nfs/dbraw/zinc/27/36/98/946273698.db2.gz PMVKMDMGIWBFDC-UHFFFAOYSA-N -1 3 386.290 0.513 20 50 GCGDHM O=C(COC(=O)c1ccccc1O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823026678 946278858 /nfs/dbraw/zinc/27/88/58/946278858.db2.gz ABQLMKBUWWWFIL-UHFFFAOYSA-N -1 3 382.336 0.190 20 50 GCGDHM O=C(COC(=O)c1ccccc1O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823026678 946278869 /nfs/dbraw/zinc/27/88/69/946278869.db2.gz ABQLMKBUWWWFIL-UHFFFAOYSA-N -1 3 382.336 0.190 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000823036599 946284805 /nfs/dbraw/zinc/28/48/05/946284805.db2.gz IMPSPVKDICKMKI-ZDUSSCGKSA-N -1 3 397.399 0.377 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C1C(=O)Nc2c1cccc2F ZINC000823036530 946285039 /nfs/dbraw/zinc/28/50/39/946285039.db2.gz FVQREHRUZAMROQ-UHFFFAOYSA-N -1 3 381.327 0.857 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCCc1ccncc1 ZINC000823036510 946285222 /nfs/dbraw/zinc/28/52/22/946285222.db2.gz FESNPNBXOGXJEX-UHFFFAOYSA-N -1 3 382.384 0.214 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@@H]1CCC(F)(F)C1 ZINC000823037135 946286729 /nfs/dbraw/zinc/28/67/29/946286729.db2.gz QRJYOENYGPCWEX-SNVBAGLBSA-N -1 3 381.343 0.764 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)CC1CCSCC1 ZINC000823036967 946287316 /nfs/dbraw/zinc/28/73/16/946287316.db2.gz OETOWJIDISVMBT-UHFFFAOYSA-N -1 3 376.442 0.926 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1csc2nccn12 ZINC000823037308 946287963 /nfs/dbraw/zinc/28/79/63/946287963.db2.gz UMTHEJYKKFOQML-UHFFFAOYSA-N -1 3 398.408 0.345 20 50 GCGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNC(=O)Cc1cn2ccccc2n1 ZINC000823043734 946290586 /nfs/dbraw/zinc/29/05/86/946290586.db2.gz HPLJIORLHSVLOV-UHFFFAOYSA-N -1 3 392.379 0.283 20 50 GCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNC(=O)Cc1cn2ccccc2n1 ZINC000823043734 946290593 /nfs/dbraw/zinc/29/05/93/946290593.db2.gz HPLJIORLHSVLOV-UHFFFAOYSA-N -1 3 392.379 0.283 20 50 GCGDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000823078078 946305115 /nfs/dbraw/zinc/30/51/15/946305115.db2.gz FQALEYGTJLIYKG-UHFFFAOYSA-N -1 3 381.400 0.179 20 50 GCGDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000823078078 946305127 /nfs/dbraw/zinc/30/51/27/946305127.db2.gz FQALEYGTJLIYKG-UHFFFAOYSA-N -1 3 381.400 0.179 20 50 GCGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)c1ccc2c(c1)OCCO2 ZINC000823103434 946309257 /nfs/dbraw/zinc/30/92/57/946309257.db2.gz GFJNOXIJINLHNS-UHFFFAOYSA-N -1 3 380.364 0.642 20 50 GCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)c1ccc2c(c1)OCCO2 ZINC000823103434 946309268 /nfs/dbraw/zinc/30/92/68/946309268.db2.gz GFJNOXIJINLHNS-UHFFFAOYSA-N -1 3 380.364 0.642 20 50 GCGDHM O=C(Cn1cc(-c2ccccc2)nn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823118901 946321440 /nfs/dbraw/zinc/32/14/40/946321440.db2.gz URQHJTDBWYNAOE-UHFFFAOYSA-N -1 3 389.379 0.586 20 50 GCGDHM O=C(Cn1cc(-c2ccccc2)nn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823118901 946321450 /nfs/dbraw/zinc/32/14/50/946321450.db2.gz URQHJTDBWYNAOE-UHFFFAOYSA-N -1 3 389.379 0.586 20 50 GCGDHM O=C(Cc1ccncc1)NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823115636 946321640 /nfs/dbraw/zinc/32/16/40/946321640.db2.gz UBXNMWFUALFABS-INIZCTEOSA-N -1 3 392.423 0.621 20 50 GCGDHM O=C(NC[C@H]1CSCCS1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823182799 946337663 /nfs/dbraw/zinc/33/76/63/946337663.db2.gz NXBODDBCSNNOBH-NSHDSACASA-N -1 3 379.471 0.659 20 50 GCGDHM O=C(NC[C@H]1CSCCS1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823182799 946337677 /nfs/dbraw/zinc/33/76/77/946337677.db2.gz NXBODDBCSNNOBH-NSHDSACASA-N -1 3 379.471 0.659 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN1c1ncccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273122 946376316 /nfs/dbraw/zinc/37/63/16/946376316.db2.gz FERAPPQQGNQFGY-CYBMUJFWSA-N -1 3 379.384 0.087 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN1c1ncccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273122 946376328 /nfs/dbraw/zinc/37/63/28/946376328.db2.gz FERAPPQQGNQFGY-CYBMUJFWSA-N -1 3 379.384 0.087 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277450 946402084 /nfs/dbraw/zinc/40/20/84/946402084.db2.gz NJFPOWVWJIZUTM-KDOFPFPSSA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277450 946402090 /nfs/dbraw/zinc/40/20/90/946402090.db2.gz NJFPOWVWJIZUTM-KDOFPFPSSA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277489 946402186 /nfs/dbraw/zinc/40/21/86/946402186.db2.gz NUCDMXAQKMPKRL-ZIAGYGMSSA-N -1 3 387.400 0.101 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277489 946402191 /nfs/dbraw/zinc/40/21/91/946402191.db2.gz NUCDMXAQKMPKRL-ZIAGYGMSSA-N -1 3 387.400 0.101 20 50 GCGDHM C=CCN(CCc1ccco1)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823904283 946512394 /nfs/dbraw/zinc/51/23/94/946512394.db2.gz ZOHGZNCGQYZXHE-UHFFFAOYSA-N -1 3 395.423 0.951 20 50 GCGDHM C=CCN(CCc1ccco1)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823904283 946512398 /nfs/dbraw/zinc/51/23/98/946512398.db2.gz ZOHGZNCGQYZXHE-UHFFFAOYSA-N -1 3 395.423 0.951 20 50 GCGDHM CSC[C@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826228323 947669497 /nfs/dbraw/zinc/66/94/97/947669497.db2.gz LORDMZKBLCPGAQ-TZQNSNDFSA-N -1 3 375.458 0.651 20 50 GCGDHM CSC[C@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826228323 947669502 /nfs/dbraw/zinc/66/95/02/947669502.db2.gz LORDMZKBLCPGAQ-TZQNSNDFSA-N -1 3 375.458 0.651 20 50 GCGDHM Cc1cnc([C@H](C)NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)o1 ZINC000826317710 947930433 /nfs/dbraw/zinc/93/04/33/947930433.db2.gz LLFKKFUHYARLNQ-JTQLQIEISA-N -1 3 386.372 0.634 20 50 GCGDHM Cc1cnc([C@H](C)NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)o1 ZINC000826317710 947930441 /nfs/dbraw/zinc/93/04/41/947930441.db2.gz LLFKKFUHYARLNQ-JTQLQIEISA-N -1 3 386.372 0.634 20 50 GCGDHM O=C(NCCc1ccc(CO)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826439341 948298424 /nfs/dbraw/zinc/29/84/24/948298424.db2.gz PYWFYGPIWJXELA-UHFFFAOYSA-N -1 3 381.396 0.546 20 50 GCGDHM O=C(NCCc1ccc(CO)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826439341 948298435 /nfs/dbraw/zinc/29/84/35/948298435.db2.gz PYWFYGPIWJXELA-UHFFFAOYSA-N -1 3 381.396 0.546 20 50 GCGDHM O=C(NNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)[C@H]1COCCO1 ZINC000826444931 948308882 /nfs/dbraw/zinc/30/88/82/948308882.db2.gz ZNGUYRLCPTWILZ-OAHLLOKOSA-N -1 3 399.411 0.112 20 50 GCGDHM O=C(NNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)[C@H]1COCCO1 ZINC000826444931 948308889 /nfs/dbraw/zinc/30/88/89/948308889.db2.gz ZNGUYRLCPTWILZ-OAHLLOKOSA-N -1 3 399.411 0.112 20 50 GCGDHM CC(C)(C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCCO1 ZINC001573783197 949145537 /nfs/dbraw/zinc/14/55/37/949145537.db2.gz XLNAGYFSFAPXIM-CQSZACIVSA-N -1 3 388.428 0.988 20 50 GCGDHM CCc1sc(C(=O)NNC(=O)CN[C@]2(CC(=O)[O-])CCCOC2)cc1C ZINC001597818406 989453948 /nfs/dbraw/zinc/45/39/48/989453948.db2.gz SLNJJACYGXORQB-KRWDZBQOSA-N -1 3 383.470 0.993 20 50 GCGDHM Cc1ccc2c(c1)C(=O)N(CC(=O)NNc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826294340 607346004 /nfs/dbraw/zinc/34/60/04/607346004.db2.gz OXCAWZOPWTYICT-UHFFFAOYSA-N -1 3 377.364 0.914 20 50 GCGDHM Cc1cc(NC(=O)CSCC(=O)NNc2cccc(-c3nnn[n-]3)c2)no1 ZINC000826270184 607335748 /nfs/dbraw/zinc/33/57/48/607335748.db2.gz OLLJGUWWJJNEAO-UHFFFAOYSA-N -1 3 388.413 0.978 20 50 GCGDHM Cc1cc(NC(=O)CSCC(=O)NNc2cccc(-c3nn[n-]n3)c2)no1 ZINC000826270184 607335751 /nfs/dbraw/zinc/33/57/51/607335751.db2.gz OLLJGUWWJJNEAO-UHFFFAOYSA-N -1 3 388.413 0.978 20 50 GCGDHM CCS(=O)(=O)N[C@H](CCSC)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825662683 607344296 /nfs/dbraw/zinc/34/42/96/607344296.db2.gz AMHJQNZXKWGDMP-GFCCVEGCSA-N -1 3 399.502 0.371 20 50 GCGDHM CCNS(=O)(=O)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825476606 607350294 /nfs/dbraw/zinc/35/02/94/607350294.db2.gz PBYHTGGCDXTNSU-UHFFFAOYSA-N -1 3 387.425 0.922 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826446343 607353095 /nfs/dbraw/zinc/35/30/95/607353095.db2.gz IIGQGBSPAVCGFY-ZDUSSCGKSA-N -1 3 378.396 0.754 20 50 GCGDHM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824108992 607353491 /nfs/dbraw/zinc/35/34/91/607353491.db2.gz MBTPIUSIEZJYHX-CYBMUJFWSA-N -1 3 389.416 0.946 20 50 GCGDHM Cc1oc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1S(=O)(=O)N(C)C ZINC000826341119 607354139 /nfs/dbraw/zinc/35/41/39/607354139.db2.gz XEMUOODANIGEJU-UHFFFAOYSA-N -1 3 391.413 0.775 20 50 GCGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000824039551 607354729 /nfs/dbraw/zinc/35/47/29/607354729.db2.gz FGUGUZCRBDFJCZ-SWHYSGLUSA-N -1 3 383.412 0.874 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)Cc2ccncc2)cc1-c1nnn[n-]1 ZINC000826200370 607573386 /nfs/dbraw/zinc/57/33/86/607573386.db2.gz MFXGFJSGSUPOJW-UHFFFAOYSA-N -1 3 382.384 0.343 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)Cc2ccncc2)cc1-c1nn[n-]n1 ZINC000826200370 607573389 /nfs/dbraw/zinc/57/33/89/607573389.db2.gz MFXGFJSGSUPOJW-UHFFFAOYSA-N -1 3 382.384 0.343 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444574 607709236 /nfs/dbraw/zinc/70/92/36/607709236.db2.gz LVFUTMXQHULIDI-HUUCEWRRSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444574 607709238 /nfs/dbraw/zinc/70/92/38/607709238.db2.gz LVFUTMXQHULIDI-HUUCEWRRSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444467 607709524 /nfs/dbraw/zinc/70/95/24/607709524.db2.gz HTOCVTXFXDAEFL-CABCVRRESA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444467 607709526 /nfs/dbraw/zinc/70/95/26/607709526.db2.gz HTOCVTXFXDAEFL-CABCVRRESA-N -1 3 385.428 0.970 20 50 GCGDHM NS(=O)(=O)c1ccc(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826394258 607713929 /nfs/dbraw/zinc/71/39/29/607713929.db2.gz CVABMCVAHIBSPB-UHFFFAOYSA-N -1 3 387.425 0.590 20 50 GCGDHM NS(=O)(=O)c1ccc(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826394258 607713931 /nfs/dbraw/zinc/71/39/31/607713931.db2.gz CVABMCVAHIBSPB-UHFFFAOYSA-N -1 3 387.425 0.590 20 50 GCGDHM CC1CCC2(CC1)NC(=O)N(CC(=O)NNc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000824917873 607719089 /nfs/dbraw/zinc/71/90/89/607719089.db2.gz OLZVBTBYHGENMG-UHFFFAOYSA-N -1 3 398.427 0.811 20 50 GCGDHM CC1CCC2(CC1)NC(=O)N(CC(=O)NNc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000824917873 607719091 /nfs/dbraw/zinc/71/90/91/607719091.db2.gz OLZVBTBYHGENMG-UHFFFAOYSA-N -1 3 398.427 0.811 20 50 GCGDHM Cn1cc([C@@H]2[C@H](C(=O)NNc3cccc(-c4nnn[n-]4)c3)CCC(=O)N2C)cn1 ZINC000826011084 607725876 /nfs/dbraw/zinc/72/58/76/607725876.db2.gz WMTWQFPLFXHGKP-GDBMZVCRSA-N -1 3 395.427 0.653 20 50 GCGDHM Cn1cc([C@@H]2[C@H](C(=O)NNc3cccc(-c4nn[n-]n4)c3)CCC(=O)N2C)cn1 ZINC000826011084 607725878 /nfs/dbraw/zinc/72/58/78/607725878.db2.gz WMTWQFPLFXHGKP-GDBMZVCRSA-N -1 3 395.427 0.653 20 50 GCGDHM CC(C)(C)OC(=O)N1CC(OCC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824104852 607727056 /nfs/dbraw/zinc/72/70/56/607727056.db2.gz ZXESOJYCQRROEE-UHFFFAOYSA-N -1 3 389.416 0.946 20 50 GCGDHM CC(C)(C)OC(=O)N1CC(OCC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824104852 607727058 /nfs/dbraw/zinc/72/70/58/607727058.db2.gz ZXESOJYCQRROEE-UHFFFAOYSA-N -1 3 389.416 0.946 20 50 GCGDHM O=C(Cn1nc(-c2ccccc2)oc1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826425864 607728145 /nfs/dbraw/zinc/72/81/45/607728145.db2.gz XDGYWLLUNGDBEA-UHFFFAOYSA-N -1 3 378.352 0.827 20 50 GCGDHM O=C(Cn1nc(-c2ccccc2)oc1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826425864 607728146 /nfs/dbraw/zinc/72/81/46/607728146.db2.gz XDGYWLLUNGDBEA-UHFFFAOYSA-N -1 3 378.352 0.827 20 50 GCGDHM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825296564 607731026 /nfs/dbraw/zinc/73/10/26/607731026.db2.gz ONEURKHBJJNNFF-AWEZNQCLSA-N -1 3 393.473 0.904 20 50 GCGDHM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825296564 607731028 /nfs/dbraw/zinc/73/10/28/607731028.db2.gz ONEURKHBJJNNFF-AWEZNQCLSA-N -1 3 393.473 0.904 20 50 GCGDHM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825296565 607731269 /nfs/dbraw/zinc/73/12/69/607731269.db2.gz ONEURKHBJJNNFF-CQSZACIVSA-N -1 3 393.473 0.904 20 50 GCGDHM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825296565 607731272 /nfs/dbraw/zinc/73/12/72/607731272.db2.gz ONEURKHBJJNNFF-CQSZACIVSA-N -1 3 393.473 0.904 20 50 GCGDHM CN(C)S(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000825875708 607733301 /nfs/dbraw/zinc/73/33/01/607733301.db2.gz WBKBFEFRDSFNQK-UHFFFAOYSA-N -1 3 377.386 0.467 20 50 GCGDHM CN(C)S(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000825875708 607733302 /nfs/dbraw/zinc/73/33/02/607733302.db2.gz WBKBFEFRDSFNQK-UHFFFAOYSA-N -1 3 377.386 0.467 20 50 GCGDHM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)NNC(=O)c1ccccc1Cl ZINC000833628350 605196106 /nfs/dbraw/zinc/19/61/06/605196106.db2.gz GRPUOPBXPKXBMM-GFCCVEGCSA-N -1 3 382.848 0.582 20 50 GCGDHM CC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)[C@@H](C)C1 ZINC000823975043 607772807 /nfs/dbraw/zinc/77/28/07/607772807.db2.gz TXLHPACRLTWTAD-MOFHNHRKSA-N -1 3 396.455 0.794 20 50 GCGDHM CC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)[C@@H](C)C1 ZINC000823975043 607772808 /nfs/dbraw/zinc/77/28/08/607772808.db2.gz TXLHPACRLTWTAD-MOFHNHRKSA-N -1 3 396.455 0.794 20 50 GCGDHM CN(CCc1nccs1)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825950984 607802369 /nfs/dbraw/zinc/80/23/69/607802369.db2.gz ZASNYSNIMNDHEK-UHFFFAOYSA-N -1 3 386.441 0.259 20 50 GCGDHM CN(CCc1nccs1)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825950984 607802370 /nfs/dbraw/zinc/80/23/70/607802370.db2.gz ZASNYSNIMNDHEK-UHFFFAOYSA-N -1 3 386.441 0.259 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826282546 607805721 /nfs/dbraw/zinc/80/57/21/607805721.db2.gz UDTVZPOZYBMRQW-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826282546 607805722 /nfs/dbraw/zinc/80/57/22/607805722.db2.gz UDTVZPOZYBMRQW-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826445080 607823725 /nfs/dbraw/zinc/82/37/25/607823725.db2.gz GKZIBSINHIHIND-MGPQQGTHSA-N -1 3 383.412 0.768 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826445080 607823726 /nfs/dbraw/zinc/82/37/26/607823726.db2.gz GKZIBSINHIHIND-MGPQQGTHSA-N -1 3 383.412 0.768 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1cn(-c2ccccc2)nn1 ZINC000826418893 607883065 /nfs/dbraw/zinc/88/30/65/607883065.db2.gz ALORCYGCNBRLLA-UHFFFAOYSA-N -1 3 389.379 0.977 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1cn(-c2ccccc2)nn1 ZINC000826418893 607883066 /nfs/dbraw/zinc/88/30/66/607883066.db2.gz ALORCYGCNBRLLA-UHFFFAOYSA-N -1 3 389.379 0.977 20 50 GCGDHM COc1ccccc1N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826220492 607921703 /nfs/dbraw/zinc/92/17/03/607921703.db2.gz PNSRRBRUAZTJMQ-UHFFFAOYSA-N -1 3 381.396 0.773 20 50 GCGDHM COc1ccccc1N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826220492 607921704 /nfs/dbraw/zinc/92/17/04/607921704.db2.gz PNSRRBRUAZTJMQ-UHFFFAOYSA-N -1 3 381.396 0.773 20 50 GCGDHM CC1(C)CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C(C)(C)CO1 ZINC000824808787 607922221 /nfs/dbraw/zinc/92/22/21/607922221.db2.gz ZIYSLPLSQKHMHQ-UHFFFAOYSA-N -1 3 387.444 0.517 20 50 GCGDHM CC1(C)CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C(C)(C)CO1 ZINC000824808787 607922222 /nfs/dbraw/zinc/92/22/22/607922222.db2.gz ZIYSLPLSQKHMHQ-UHFFFAOYSA-N -1 3 387.444 0.517 20 50 GCGDHM C[C@H]1SCCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000825022516 607923536 /nfs/dbraw/zinc/92/35/36/607923536.db2.gz XZIPBZBZOPAFCU-WDEREUQCSA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@H]1SCCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000825022516 607923537 /nfs/dbraw/zinc/92/35/37/607923537.db2.gz XZIPBZBZOPAFCU-WDEREUQCSA-N -1 3 375.458 0.454 20 50 GCGDHM O=C(CN1CCc2cc(F)c(F)cc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411492 607924858 /nfs/dbraw/zinc/92/48/58/607924858.db2.gz AGTMMTPPUOODFA-UHFFFAOYSA-N -1 3 399.361 0.969 20 50 GCGDHM O=C(CN1CCc2cc(F)c(F)cc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411492 607924859 /nfs/dbraw/zinc/92/48/59/607924859.db2.gz AGTMMTPPUOODFA-UHFFFAOYSA-N -1 3 399.361 0.969 20 50 GCGDHM Cc1cccc2c1CCN2CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826305361 607925438 /nfs/dbraw/zinc/92/54/38/607925438.db2.gz TYVLKOIGONXFSF-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM Cc1cccc2c1CCN2CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826305361 607925439 /nfs/dbraw/zinc/92/54/39/607925439.db2.gz TYVLKOIGONXFSF-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM CC(C)CSCCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824274953 607927649 /nfs/dbraw/zinc/92/76/49/607927649.db2.gz NOQYVKGTIOYHSI-UHFFFAOYSA-N -1 3 393.473 0.965 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=S)NC[C@H]1CCCCO1 ZINC000826417113 607967095 /nfs/dbraw/zinc/96/70/95/607967095.db2.gz DUWMJBVMHHYYAG-CYBMUJFWSA-N -1 3 391.457 0.310 20 50 GCGDHM CCOC(=O)CC[C@@H](C)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825506836 608033805 /nfs/dbraw/zinc/03/38/05/608033805.db2.gz OCEWBYKPEAYRTB-SNVBAGLBSA-N -1 3 375.389 0.543 20 50 GCGDHM CCOC(=O)CC[C@@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825506836 608033806 /nfs/dbraw/zinc/03/38/06/608033806.db2.gz OCEWBYKPEAYRTB-SNVBAGLBSA-N -1 3 375.389 0.543 20 50 GCGDHM O=C(CN1CC[C@@H](C(F)(F)F)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826410742 608041675 /nfs/dbraw/zinc/04/16/75/608041675.db2.gz WZOBKQSTIUREPK-LLVKDONJSA-N -1 3 383.334 0.512 20 50 GCGDHM O=C(CN1CC[C@@H](C(F)(F)F)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826410742 608041676 /nfs/dbraw/zinc/04/16/76/608041676.db2.gz WZOBKQSTIUREPK-LLVKDONJSA-N -1 3 383.334 0.512 20 50 GCGDHM COC(=O)[C@@H](CC(F)F)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826104199 608090319 /nfs/dbraw/zinc/09/03/19/608090319.db2.gz RNKFBVIDAZWSDH-NEOSZVFXSA-N -1 3 393.354 0.734 20 50 GCGDHM COC(=O)[C@@H](CC(F)F)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826104199 608090320 /nfs/dbraw/zinc/09/03/20/608090320.db2.gz RNKFBVIDAZWSDH-NEOSZVFXSA-N -1 3 393.354 0.734 20 50 GCGDHM CC(C)n1cccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824371439 608117924 /nfs/dbraw/zinc/11/79/24/608117924.db2.gz GCYYHWIVMKJWOR-UHFFFAOYSA-N -1 3 397.395 0.867 20 50 GCGDHM CC(C)n1cccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824371439 608117925 /nfs/dbraw/zinc/11/79/25/608117925.db2.gz GCYYHWIVMKJWOR-UHFFFAOYSA-N -1 3 397.395 0.867 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)CC(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235733 608182610 /nfs/dbraw/zinc/18/26/10/608182610.db2.gz PUYUORWKOWOIAS-LBQOUHFTSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)CC(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235733 608182612 /nfs/dbraw/zinc/18/26/12/608182612.db2.gz PUYUORWKOWOIAS-LBQOUHFTSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)CC[C@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000826235090 608251301 /nfs/dbraw/zinc/25/13/01/608251301.db2.gz BLGJJCFEIYJIAZ-LVOZBFFPSA-N -1 3 380.412 0.254 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)CC[C@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000826235090 608251303 /nfs/dbraw/zinc/25/13/03/608251303.db2.gz BLGJJCFEIYJIAZ-LVOZBFFPSA-N -1 3 380.412 0.254 20 50 GCGDHM CS[C@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826225214 608372836 /nfs/dbraw/zinc/37/28/36/608372836.db2.gz WONYGBIQBPXHKW-SECBINFHSA-N -1 3 378.414 0.313 20 50 GCGDHM CS[C@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826225214 608372838 /nfs/dbraw/zinc/37/28/38/608372838.db2.gz WONYGBIQBPXHKW-SECBINFHSA-N -1 3 378.414 0.313 20 50 GCGDHM Cc1cnc(OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000826319138 608400836 /nfs/dbraw/zinc/40/08/36/608400836.db2.gz PPADGSZJXKVDPR-UHFFFAOYSA-N -1 3 398.339 0.318 20 50 GCGDHM Cc1cnc(OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000826319138 608400838 /nfs/dbraw/zinc/40/08/38/608400838.db2.gz PPADGSZJXKVDPR-UHFFFAOYSA-N -1 3 398.339 0.318 20 50 GCGDHM O=C(NNC(=O)N1CCC(c2cn[nH]c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444514 608410945 /nfs/dbraw/zinc/41/09/45/608410945.db2.gz JYABMYORFAWUMN-UHFFFAOYSA-N -1 3 381.400 0.824 20 50 GCGDHM O=C(NNC(=O)N1CCC(c2cn[nH]c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444514 608410946 /nfs/dbraw/zinc/41/09/46/608410946.db2.gz JYABMYORFAWUMN-UHFFFAOYSA-N -1 3 381.400 0.824 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCNC(=O)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235999 608490347 /nfs/dbraw/zinc/49/03/47/608490347.db2.gz WJJNLVCSSKZBDQ-ZSOIEALJSA-N -1 3 384.444 0.651 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCNC(=O)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235999 608490348 /nfs/dbraw/zinc/49/03/48/608490348.db2.gz WJJNLVCSSKZBDQ-ZSOIEALJSA-N -1 3 384.444 0.651 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(CCC(N)=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000826235528 608491638 /nfs/dbraw/zinc/49/16/38/608491638.db2.gz LMCUGGZGLPFPCM-DHDCSXOGSA-N -1 3 396.455 0.925 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(CCC(N)=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235528 608491639 /nfs/dbraw/zinc/49/16/39/608491639.db2.gz LMCUGGZGLPFPCM-DHDCSXOGSA-N -1 3 396.455 0.925 20 50 GCGDHM CC(C)c1cc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc(=O)[nH]1 ZINC000824342812 608548408 /nfs/dbraw/zinc/54/84/08/608548408.db2.gz UQXUPNAIOFTQMY-UHFFFAOYSA-N -1 3 397.395 0.931 20 50 GCGDHM COc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1-n1cnnn1 ZINC000826209888 608813486 /nfs/dbraw/zinc/81/34/86/608813486.db2.gz VNOWURAUMPOOGY-UHFFFAOYSA-N -1 3 393.371 1.000 20 50 GCGDHM COc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1-n1cnnn1 ZINC000826209888 608813487 /nfs/dbraw/zinc/81/34/87/608813487.db2.gz VNOWURAUMPOOGY-UHFFFAOYSA-N -1 3 393.371 1.000 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(n3ccnn3)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235059 608816596 /nfs/dbraw/zinc/81/65/96/608816596.db2.gz ASQQMRRRRQMHTD-ZROIWOOFSA-N -1 3 392.427 0.876 20 50 GCGDHM CCOC(=O)Cc1nnc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000825518145 608817147 /nfs/dbraw/zinc/81/71/47/608817147.db2.gz SRIULZGUOOKXDM-UHFFFAOYSA-N -1 3 389.401 0.972 20 50 GCGDHM CCOC(=O)Cc1nnc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000825518145 608817148 /nfs/dbraw/zinc/81/71/48/608817148.db2.gz SRIULZGUOOKXDM-UHFFFAOYSA-N -1 3 389.401 0.972 20 50 GCGDHM Cc1cc(C(=O)NNc2nccn(C)c2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260611 609162083 /nfs/dbraw/zinc/16/20/83/609162083.db2.gz WXLNGQQWCINWFQ-UHFFFAOYSA-N -1 3 392.383 0.211 20 50 GCGDHM Cc1cc(C(=O)NNc2nccn(C)c2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260611 609162084 /nfs/dbraw/zinc/16/20/84/609162084.db2.gz WXLNGQQWCINWFQ-UHFFFAOYSA-N -1 3 392.383 0.211 20 50 GCGDHM Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826264472 609183662 /nfs/dbraw/zinc/18/36/62/609183662.db2.gz PMCQUCGMTJGIHR-QGZVFWFLSA-N -1 3 396.407 0.743 20 50 GCGDHM Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264472 609183664 /nfs/dbraw/zinc/18/36/64/609183664.db2.gz PMCQUCGMTJGIHR-QGZVFWFLSA-N -1 3 396.407 0.743 20 50 GCGDHM Cc1ccc(OCC(=O)NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826292140 609183742 /nfs/dbraw/zinc/18/37/42/609183742.db2.gz JYFOROQLCDYGOW-MRXNPFEDSA-N -1 3 382.380 0.435 20 50 GCGDHM Cc1ccc(OCC(=O)NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826292140 609183743 /nfs/dbraw/zinc/18/37/43/609183743.db2.gz JYFOROQLCDYGOW-MRXNPFEDSA-N -1 3 382.380 0.435 20 50 GCGDHM O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826447547 609207705 /nfs/dbraw/zinc/20/77/05/609207705.db2.gz KTMKGFTYPKJHOL-UHFFFAOYSA-N -1 3 383.340 0.948 20 50 GCGDHM O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826447547 609207707 /nfs/dbraw/zinc/20/77/07/609207707.db2.gz KTMKGFTYPKJHOL-UHFFFAOYSA-N -1 3 383.340 0.948 20 50 GCGDHM O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826447792 609228864 /nfs/dbraw/zinc/22/88/64/609228864.db2.gz WJPCKAHBYXUHDA-UHFFFAOYSA-N -1 3 388.413 0.392 20 50 GCGDHM O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826447792 609228866 /nfs/dbraw/zinc/22/88/66/609228866.db2.gz WJPCKAHBYXUHDA-UHFFFAOYSA-N -1 3 388.413 0.392 20 50 GCGDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NNc1ccccn1 ZINC000824633596 609262470 /nfs/dbraw/zinc/26/24/70/609262470.db2.gz PMOVMNVCYQKSAK-JTQLQIEISA-N -1 3 388.413 0.072 20 50 GCGDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1ccccn1 ZINC000824633596 609262471 /nfs/dbraw/zinc/26/24/71/609262471.db2.gz PMOVMNVCYQKSAK-JTQLQIEISA-N -1 3 388.413 0.072 20 50 GCGDHM CCc1cnccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825733329 609293895 /nfs/dbraw/zinc/29/38/95/609293895.db2.gz CHEAZGXQUHMEJC-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM CCc1cnccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825733329 609293897 /nfs/dbraw/zinc/29/38/97/609293897.db2.gz CHEAZGXQUHMEJC-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM Cc1nscc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826340033 609294659 /nfs/dbraw/zinc/29/46/59/609294659.db2.gz FDDDGZUYPQAWCB-UHFFFAOYSA-N -1 3 387.381 0.250 20 50 GCGDHM Cc1nscc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826340033 609294660 /nfs/dbraw/zinc/29/46/60/609294660.db2.gz FDDDGZUYPQAWCB-UHFFFAOYSA-N -1 3 387.381 0.250 20 50 GCGDHM O=C(CN1CCC[C@@H](OC(F)F)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410338 609299672 /nfs/dbraw/zinc/29/96/72/609299672.db2.gz KNBPKQBENPYRNY-GFCCVEGCSA-N -1 3 395.370 0.331 20 50 GCGDHM O=C(CN1CCC[C@@H](OC(F)F)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410338 609299673 /nfs/dbraw/zinc/29/96/73/609299673.db2.gz KNBPKQBENPYRNY-GFCCVEGCSA-N -1 3 395.370 0.331 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H](F)Cc1ccccc1 ZINC000826417510 609314970 /nfs/dbraw/zinc/31/49/70/609314970.db2.gz SZFUVHMHHFTVNJ-OAHLLOKOSA-N -1 3 384.371 0.974 20 50 GCGDHM CCCn1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825357031 609392490 /nfs/dbraw/zinc/39/24/90/609392490.db2.gz VSXOFJBONBRQET-UHFFFAOYSA-N -1 3 398.383 0.091 20 50 GCGDHM CCCn1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825357031 609392495 /nfs/dbraw/zinc/39/24/95/609392495.db2.gz VSXOFJBONBRQET-UHFFFAOYSA-N -1 3 398.383 0.091 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824109802 609397951 /nfs/dbraw/zinc/39/79/51/609397951.db2.gz VZTBCQBUFONLLS-UHFFFAOYSA-N -1 3 395.807 0.806 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824109802 609397952 /nfs/dbraw/zinc/39/79/52/609397952.db2.gz VZTBCQBUFONLLS-UHFFFAOYSA-N -1 3 395.807 0.806 20 50 GCGDHM O=C(CN[C@H](CO)c1cccc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826412431 609425691 /nfs/dbraw/zinc/42/56/91/609425691.db2.gz NSJSYIGFUAVFLY-OAHLLOKOSA-N -1 3 399.386 0.090 20 50 GCGDHM Cc1ccsc1[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826315205 609445048 /nfs/dbraw/zinc/44/50/48/609445048.db2.gz BZXYWAZJUODGDA-GFCCVEGCSA-N -1 3 387.425 0.914 20 50 GCGDHM Cc1ccsc1[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826315205 609445050 /nfs/dbraw/zinc/44/50/50/609445050.db2.gz BZXYWAZJUODGDA-GFCCVEGCSA-N -1 3 387.425 0.914 20 50 GCGDHM Cc1ccccc1[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826305737 609445329 /nfs/dbraw/zinc/44/53/29/609445329.db2.gz HHVGFMNWWLIFKH-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccccc1[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826305737 609445332 /nfs/dbraw/zinc/44/53/32/609445332.db2.gz HHVGFMNWWLIFKH-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM COc1ccccc1[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826218898 609446710 /nfs/dbraw/zinc/44/67/10/609446710.db2.gz NTLMBOZROLWPTL-AWEZNQCLSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1ccccc1[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826218898 609446712 /nfs/dbraw/zinc/44/67/12/609446712.db2.gz NTLMBOZROLWPTL-AWEZNQCLSA-N -1 3 397.395 0.553 20 50 GCGDHM CCOC(=O)[C@H](CC(C)C)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825486740 609448335 /nfs/dbraw/zinc/44/83/35/609448335.db2.gz XGMLMOJBBQDUBZ-AWEZNQCLSA-N -1 3 376.417 0.844 20 50 GCGDHM CCOC(=O)C(C#N)=CN[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825486413 609504583 /nfs/dbraw/zinc/50/45/83/609504583.db2.gz RCUYAYNEAOPOLR-HFBDAHEESA-N -1 3 381.396 0.922 20 50 GCGDHM CCOC(=O)C(C#N)=CN[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825486413 609504584 /nfs/dbraw/zinc/50/45/84/609504584.db2.gz RCUYAYNEAOPOLR-HFBDAHEESA-N -1 3 381.396 0.922 20 50 GCGDHM O=C(CN1CCC([C@H]2CCOC2)CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826410431 609608833 /nfs/dbraw/zinc/60/88/33/609608833.db2.gz NAEPDTGYYYTNGI-INIZCTEOSA-N -1 3 399.455 0.376 20 50 GCGDHM Cc1cnc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000826318167 609639481 /nfs/dbraw/zinc/63/94/81/609639481.db2.gz XRXHYGCAQAKWJW-UHFFFAOYSA-N -1 3 395.379 0.497 20 50 GCGDHM Cc1cnc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826318167 609639482 /nfs/dbraw/zinc/63/94/82/609639482.db2.gz XRXHYGCAQAKWJW-UHFFFAOYSA-N -1 3 395.379 0.497 20 50 GCGDHM Cc1cnc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826318185 609641082 /nfs/dbraw/zinc/64/10/82/609641082.db2.gz YFSSMMAWCKWRDL-UHFFFAOYSA-N -1 3 395.379 0.497 20 50 GCGDHM Cc1cnc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826318185 609641084 /nfs/dbraw/zinc/64/10/84/609641084.db2.gz YFSSMMAWCKWRDL-UHFFFAOYSA-N -1 3 395.379 0.497 20 50 GCGDHM Cc1nn(C)c2nc(C)c(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)cc12 ZINC000737487332 945079223 /nfs/dbraw/zinc/07/92/23/945079223.db2.gz HSHKFGUTNXWJMZ-UHFFFAOYSA-N -1 3 391.395 0.840 20 50 GCGDHM Cc1nn(C)c2nc(C)c(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)cc12 ZINC000737487332 945079235 /nfs/dbraw/zinc/07/92/35/945079235.db2.gz HSHKFGUTNXWJMZ-UHFFFAOYSA-N -1 3 391.395 0.840 20 50 GCGDHM Cc1sc(=O)n(CCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000737562241 945095827 /nfs/dbraw/zinc/09/58/27/945095827.db2.gz LRBBQHAUUDHHIA-UHFFFAOYSA-N -1 3 387.425 0.558 20 50 GCGDHM Cc1sc(=O)n(CCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000737562241 945095839 /nfs/dbraw/zinc/09/58/39/945095839.db2.gz LRBBQHAUUDHHIA-UHFFFAOYSA-N -1 3 387.425 0.558 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)COc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739373 945120022 /nfs/dbraw/zinc/12/00/22/945120022.db2.gz YOMQFKNRPJEXMX-HNNXBMFYSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)COc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739373 945120031 /nfs/dbraw/zinc/12/00/31/945120031.db2.gz YOMQFKNRPJEXMX-HNNXBMFYSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)[C@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737112 945120263 /nfs/dbraw/zinc/12/02/63/945120263.db2.gz OFUJTUQKHIUJEN-LSDHHAIUSA-N -1 3 379.380 0.018 20 50 GCGDHM NC(=O)[C@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737112 945120270 /nfs/dbraw/zinc/12/02/70/945120270.db2.gz OFUJTUQKHIUJEN-LSDHHAIUSA-N -1 3 379.380 0.018 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736911 945121029 /nfs/dbraw/zinc/12/10/29/945121029.db2.gz MUVMFKLHZGLZDQ-ZDUSSCGKSA-N -1 3 382.340 0.236 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736911 945121032 /nfs/dbraw/zinc/12/10/32/945121032.db2.gz MUVMFKLHZGLZDQ-ZDUSSCGKSA-N -1 3 382.340 0.236 20 50 GCGDHM NC(=O)c1ccc(NC(=S)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737761214 945122298 /nfs/dbraw/zinc/12/22/98/945122298.db2.gz VMQGGRDAWRLIKJ-UHFFFAOYSA-N -1 3 382.409 0.597 20 50 GCGDHM NC(=O)c1ccc(NC(=S)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737761214 945122305 /nfs/dbraw/zinc/12/23/05/945122305.db2.gz VMQGGRDAWRLIKJ-UHFFFAOYSA-N -1 3 382.409 0.597 20 50 GCGDHM O=C(CNC(=O)CC1CCCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737823281 945130739 /nfs/dbraw/zinc/13/07/39/945130739.db2.gz QDHBJERHMZUXPO-UHFFFAOYSA-N -1 3 385.428 0.714 20 50 GCGDHM O=C(CNC(=O)CC1CCCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737823281 945130745 /nfs/dbraw/zinc/13/07/45/945130745.db2.gz QDHBJERHMZUXPO-UHFFFAOYSA-N -1 3 385.428 0.714 20 50 GCGDHM O=C(CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1 ZINC000737845828 945136324 /nfs/dbraw/zinc/13/63/24/945136324.db2.gz ADOBINNCLRHCQO-UHFFFAOYSA-N -1 3 394.395 0.840 20 50 GCGDHM O=C(CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1 ZINC000737845828 945136329 /nfs/dbraw/zinc/13/63/29/945136329.db2.gz ADOBINNCLRHCQO-UHFFFAOYSA-N -1 3 394.395 0.840 20 50 GCGDHM O=C(CNC(=O)NC1CCCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737888399 945145070 /nfs/dbraw/zinc/14/50/70/945145070.db2.gz CWGZVKNYLQVRLC-UHFFFAOYSA-N -1 3 386.416 0.260 20 50 GCGDHM O=C(CNC(=O)NC1CCCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737888399 945145077 /nfs/dbraw/zinc/14/50/77/945145077.db2.gz CWGZVKNYLQVRLC-UHFFFAOYSA-N -1 3 386.416 0.260 20 50 GCGDHM O=C(CCc1ccccc1O)NNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737857873 945141239 /nfs/dbraw/zinc/14/12/39/945141239.db2.gz VXJKJSZBJUQHBI-UHFFFAOYSA-N -1 3 382.380 0.731 20 50 GCGDHM O=C(CCc1ccccc1O)NNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737857873 945141244 /nfs/dbraw/zinc/14/12/44/945141244.db2.gz VXJKJSZBJUQHBI-UHFFFAOYSA-N -1 3 382.380 0.731 20 50 GCGDHM O=C(CNC(=O)c1cccs1)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737891625 945146247 /nfs/dbraw/zinc/14/62/47/945146247.db2.gz OQTOZGPKDFFNBB-UHFFFAOYSA-N -1 3 395.408 0.456 20 50 GCGDHM O=C(CNC(=O)c1cccs1)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737891625 945146255 /nfs/dbraw/zinc/14/62/55/945146255.db2.gz OQTOZGPKDFFNBB-UHFFFAOYSA-N -1 3 395.408 0.456 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000737919165 945152279 /nfs/dbraw/zinc/15/22/79/945152279.db2.gz OXPHOOQUOHOFJW-HNNXBMFYSA-N -1 3 380.364 0.397 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCCc1cccc(O)c1 ZINC000737929725 945157146 /nfs/dbraw/zinc/15/71/46/945157146.db2.gz HDMIDPPCGZKFMF-UHFFFAOYSA-N -1 3 397.395 0.524 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCCc1cccc(O)c1 ZINC000737929725 945157154 /nfs/dbraw/zinc/15/71/54/945157154.db2.gz HDMIDPPCGZKFMF-UHFFFAOYSA-N -1 3 397.395 0.524 20 50 GCGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NN=c1nc[nH]c2[nH]cnc21 ZINC000737930382 945158218 /nfs/dbraw/zinc/15/82/18/945158218.db2.gz BTMUWPDTTLXFIZ-UHFFFAOYSA-N -1 3 382.413 0.910 20 50 GCGDHM O=C(Cn1cc(Br)cn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737980303 945169949 /nfs/dbraw/zinc/16/99/49/945169949.db2.gz BPLOXYSGXIVNRU-UHFFFAOYSA-N -1 3 391.189 0.287 20 50 GCGDHM O=C(Cn1cc(Br)cn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737980303 945169961 /nfs/dbraw/zinc/16/99/61/945169961.db2.gz BPLOXYSGXIVNRU-UHFFFAOYSA-N -1 3 391.189 0.287 20 50 GCGDHM O=C(CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)N1CCCCC1 ZINC000738056945 945180728 /nfs/dbraw/zinc/18/07/28/945180728.db2.gz XOWDFWBCODZDFB-UHFFFAOYSA-N -1 3 386.416 0.213 20 50 GCGDHM O=C(CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)N1CCCCC1 ZINC000738056945 945180731 /nfs/dbraw/zinc/18/07/31/945180731.db2.gz XOWDFWBCODZDFB-UHFFFAOYSA-N -1 3 386.416 0.213 20 50 GCGDHM O=C(NCCCOC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738076488 945182918 /nfs/dbraw/zinc/18/29/18/945182918.db2.gz SXVPUUYLTDTSMW-AWEZNQCLSA-N -1 3 389.416 0.396 20 50 GCGDHM O=C(NCCCOC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738076488 945182924 /nfs/dbraw/zinc/18/29/24/945182924.db2.gz SXVPUUYLTDTSMW-AWEZNQCLSA-N -1 3 389.416 0.396 20 50 GCGDHM O=C(NCCCOC[C@@H]1CCOC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738076006 945183188 /nfs/dbraw/zinc/18/31/88/945183188.db2.gz ORYJNBLCHISIHD-LBPRGKRZSA-N -1 3 389.416 0.254 20 50 GCGDHM O=C(NCCCOC[C@@H]1CCOC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738076006 945183191 /nfs/dbraw/zinc/18/31/91/945183191.db2.gz ORYJNBLCHISIHD-LBPRGKRZSA-N -1 3 389.416 0.254 20 50 GCGDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000738100745 945188776 /nfs/dbraw/zinc/18/87/76/945188776.db2.gz SHEBWNYDJGRWKK-HNNXBMFYSA-N -1 3 397.370 0.840 20 50 GCGDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000738100745 945188786 /nfs/dbraw/zinc/18/87/86/945188786.db2.gz SHEBWNYDJGRWKK-HNNXBMFYSA-N -1 3 397.370 0.840 20 50 GCGDHM O=C(NCc1cc2c([nH]c1=O)CCC2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738100650 945189318 /nfs/dbraw/zinc/18/93/18/945189318.db2.gz CHUMJENOSMCJHG-UHFFFAOYSA-N -1 3 394.395 0.600 20 50 GCGDHM O=C(NCc1cc2c([nH]c1=O)CCC2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738100650 945189320 /nfs/dbraw/zinc/18/93/20/945189320.db2.gz CHUMJENOSMCJHG-UHFFFAOYSA-N -1 3 394.395 0.600 20 50 GCGDHM O=C(NCc1ccccc1[N+](=O)[O-])NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738124377 945194880 /nfs/dbraw/zinc/19/48/80/945194880.db2.gz PWVJPBUSWVHUPX-UHFFFAOYSA-N -1 3 382.340 0.919 20 50 GCGDHM O=C(NCc1ccccc1[N+](=O)[O-])NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738124377 945194882 /nfs/dbraw/zinc/19/48/82/945194882.db2.gz PWVJPBUSWVHUPX-UHFFFAOYSA-N -1 3 382.340 0.919 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(c2ccccc2)=NO1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129354 945200692 /nfs/dbraw/zinc/20/06/92/945200692.db2.gz AAIYORMWLIYPIX-OAHLLOKOSA-N -1 3 377.364 0.821 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(c2ccccc2)=NO1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129354 945200703 /nfs/dbraw/zinc/20/07/03/945200703.db2.gz AAIYORMWLIYPIX-OAHLLOKOSA-N -1 3 377.364 0.821 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN1c1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738130104 945207338 /nfs/dbraw/zinc/20/73/38/945207338.db2.gz JZHOZJIRKCUWAN-GFCCVEGCSA-N -1 3 384.425 0.753 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN1c1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738130104 945207347 /nfs/dbraw/zinc/20/73/47/945207347.db2.gz JZHOZJIRKCUWAN-GFCCVEGCSA-N -1 3 384.425 0.753 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130271 945208643 /nfs/dbraw/zinc/20/86/43/945208643.db2.gz OUFHFWIDXMQBPA-OAHLLOKOSA-N -1 3 395.354 0.960 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130271 945208649 /nfs/dbraw/zinc/20/86/49/945208649.db2.gz OUFHFWIDXMQBPA-OAHLLOKOSA-N -1 3 395.354 0.960 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130251 945209002 /nfs/dbraw/zinc/20/90/02/945209002.db2.gz OIZDKYLMMRCHOU-CQSZACIVSA-N -1 3 397.439 0.809 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130251 945209009 /nfs/dbraw/zinc/20/90/09/945209009.db2.gz OIZDKYLMMRCHOU-CQSZACIVSA-N -1 3 397.439 0.809 20 50 GCGDHM O=C(NNC(=O)N1CCOC[C@@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000738135722 945226618 /nfs/dbraw/zinc/22/66/18/945226618.db2.gz BDKOSGRKRBCKEF-CYBMUJFWSA-N -1 3 383.368 0.888 20 50 GCGDHM O=C(NNC(=O)N1CCOC[C@@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000738135722 945226626 /nfs/dbraw/zinc/22/66/26/945226626.db2.gz BDKOSGRKRBCKEF-CYBMUJFWSA-N -1 3 383.368 0.888 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1c[nH]nc1-c1ccncc1 ZINC000738136808 945238429 /nfs/dbraw/zinc/23/84/29/945238429.db2.gz MYNIZIXDUVYQDK-UHFFFAOYSA-N -1 3 375.352 0.727 20 50 GCGDHM O=Cc1ccc(OCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738314185 945259288 /nfs/dbraw/zinc/25/92/88/945259288.db2.gz SHJIRUIYMZKMGE-UHFFFAOYSA-N -1 3 396.363 0.284 20 50 GCGDHM CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819933467 945315040 /nfs/dbraw/zinc/31/50/40/945315040.db2.gz SODHJWLPUBWOFB-UHFFFAOYSA-N -1 3 387.400 0.685 20 50 GCGDHM CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819933467 945315049 /nfs/dbraw/zinc/31/50/49/945315049.db2.gz SODHJWLPUBWOFB-UHFFFAOYSA-N -1 3 387.400 0.685 20 50 GCGDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1nccn(C)c1=O ZINC000820032156 945333935 /nfs/dbraw/zinc/33/39/35/945333935.db2.gz LSRXXHNXZLSWLK-CYBMUJFWSA-N -1 3 384.400 0.507 20 50 GCGDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1nccn(C)c1=O ZINC000820032156 945333939 /nfs/dbraw/zinc/33/39/39/945333939.db2.gz LSRXXHNXZLSWLK-CYBMUJFWSA-N -1 3 384.400 0.507 20 50 GCGDHM CC(C)C[C@@H](CCO)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820057144 945339495 /nfs/dbraw/zinc/33/94/95/945339495.db2.gz XGDIZPLISYOTJR-GFCCVEGCSA-N -1 3 375.433 0.855 20 50 GCGDHM CC(C)C[C@@H](CCO)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820057144 945339502 /nfs/dbraw/zinc/33/95/02/945339502.db2.gz XGDIZPLISYOTJR-GFCCVEGCSA-N -1 3 375.433 0.855 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735590283 944676234 /nfs/dbraw/zinc/67/62/34/944676234.db2.gz XIIFFGUVIKHZOJ-UHFFFAOYSA-N -1 3 390.423 0.915 20 50 GCGDHM CC(C)(C)OC(=O)CSCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735623947 944681246 /nfs/dbraw/zinc/68/12/46/944681246.db2.gz NRNSNKGFOPNXOS-UHFFFAOYSA-N -1 3 392.441 0.703 20 50 GCGDHM CC(C)(C)OC(=O)CSCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735623947 944681258 /nfs/dbraw/zinc/68/12/58/944681258.db2.gz NRNSNKGFOPNXOS-UHFFFAOYSA-N -1 3 392.441 0.703 20 50 GCGDHM CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000735756673 944697174 /nfs/dbraw/zinc/69/71/74/944697174.db2.gz PRUVECSVXMWZAY-QMMMGPOBSA-N -1 3 389.445 0.390 20 50 GCGDHM CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000735756673 944697182 /nfs/dbraw/zinc/69/71/82/944697182.db2.gz PRUVECSVXMWZAY-QMMMGPOBSA-N -1 3 389.445 0.390 20 50 GCGDHM CC(C)CCC(=O)NNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735797966 944704511 /nfs/dbraw/zinc/70/45/11/944704511.db2.gz SZTDJYPWDBJSIJ-UHFFFAOYSA-N -1 3 383.416 0.832 20 50 GCGDHM CC(C)CCC(=O)NNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735797966 944704515 /nfs/dbraw/zinc/70/45/15/944704515.db2.gz SZTDJYPWDBJSIJ-UHFFFAOYSA-N -1 3 383.416 0.832 20 50 GCGDHM C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736127106 944748002 /nfs/dbraw/zinc/74/80/02/944748002.db2.gz QRRQEPMMHSUNJR-SECBINFHSA-N -1 3 385.409 0.508 20 50 GCGDHM C[C@@H](NC(=O)c1cccs1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736127106 944748007 /nfs/dbraw/zinc/74/80/07/944748007.db2.gz QRRQEPMMHSUNJR-SECBINFHSA-N -1 3 385.409 0.508 20 50 GCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=S)N[C@H](C)C1CC1 ZINC000736169487 944751755 /nfs/dbraw/zinc/75/17/55/944751755.db2.gz NYQIYQCVUOSHRB-NXEZZACHSA-N -1 3 375.458 0.928 20 50 GCGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NN[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736179114 944753659 /nfs/dbraw/zinc/75/36/59/944753659.db2.gz ZBEWBYBRNOIVHZ-BONVTDFDSA-N -1 3 399.386 0.621 20 50 GCGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736179114 944753662 /nfs/dbraw/zinc/75/36/62/944753662.db2.gz ZBEWBYBRNOIVHZ-BONVTDFDSA-N -1 3 399.386 0.621 20 50 GCGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)COc1ccccc1O ZINC000736181772 944754095 /nfs/dbraw/zinc/75/40/95/944754095.db2.gz AENLYOCASMZIBU-NSHDSACASA-N -1 3 398.379 0.566 20 50 GCGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)COc1ccccc1O ZINC000736181772 944754101 /nfs/dbraw/zinc/75/41/01/944754101.db2.gz AENLYOCASMZIBU-NSHDSACASA-N -1 3 398.379 0.566 20 50 GCGDHM C[C@@]1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)Cc2ccccc2C(=O)O1 ZINC000736201455 944759436 /nfs/dbraw/zinc/75/94/36/944759436.db2.gz FLPUNKNEQFGIKO-IBGZPJMESA-N -1 3 392.375 0.800 20 50 GCGDHM C[C@@]1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)Cc2ccccc2C(=O)O1 ZINC000736201455 944759448 /nfs/dbraw/zinc/75/94/48/944759448.db2.gz FLPUNKNEQFGIKO-IBGZPJMESA-N -1 3 392.375 0.800 20 50 GCGDHM C[C@@]1(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC000736216461 944765014 /nfs/dbraw/zinc/76/50/14/944765014.db2.gz IZEZAUAUHOWORI-INIZCTEOSA-N -1 3 375.389 0.003 20 50 GCGDHM CC1=C(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C(=O)OC1(C)C ZINC000736231965 944771714 /nfs/dbraw/zinc/77/17/14/944771714.db2.gz ZDARQKXXTHNLDM-UHFFFAOYSA-N -1 3 386.368 0.045 20 50 GCGDHM C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736273343 944784765 /nfs/dbraw/zinc/78/47/65/944784765.db2.gz RPVDQIHNGFQKFP-DOMZBBRYSA-N -1 3 388.428 0.988 20 50 GCGDHM CCC(=O)NNC(=O)[C@H](C)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736304840 944795323 /nfs/dbraw/zinc/79/53/23/944795323.db2.gz RBDOKQQFBOKOKH-ZDUSSCGKSA-N -1 3 386.460 0.325 20 50 GCGDHM CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736413238 944815029 /nfs/dbraw/zinc/81/50/29/944815029.db2.gz WSMUMLZVNDZDNT-CQSZACIVSA-N -1 3 385.428 0.666 20 50 GCGDHM CCCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736413238 944815032 /nfs/dbraw/zinc/81/50/32/944815032.db2.gz WSMUMLZVNDZDNT-CQSZACIVSA-N -1 3 385.428 0.666 20 50 GCGDHM CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736411984 944816285 /nfs/dbraw/zinc/81/62/85/944816285.db2.gz NGOLNZQWLGFOQE-LBPRGKRZSA-N -1 3 389.441 0.329 20 50 GCGDHM CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736411984 944816289 /nfs/dbraw/zinc/81/62/89/944816289.db2.gz NGOLNZQWLGFOQE-LBPRGKRZSA-N -1 3 389.441 0.329 20 50 GCGDHM CCN1CCO[C@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736568656 944844418 /nfs/dbraw/zinc/84/44/18/944844418.db2.gz KRAUVBDDCLYMOI-XIEDVDOYSA-N -1 3 384.444 0.258 20 50 GCGDHM CCOCC(=O)NNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736609260 944854688 /nfs/dbraw/zinc/85/46/88/944854688.db2.gz PJZKXUOQULDELX-UHFFFAOYSA-N -1 3 379.446 0.467 20 50 GCGDHM CCOCC(=O)NNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736609260 944854694 /nfs/dbraw/zinc/85/46/94/944854694.db2.gz PJZKXUOQULDELX-UHFFFAOYSA-N -1 3 379.446 0.467 20 50 GCGDHM CCc1[nH]c(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1C(=O)OC ZINC000736666561 944866795 /nfs/dbraw/zinc/86/67/95/944866795.db2.gz LSHCXUQANCEVAN-UHFFFAOYSA-N -1 3 397.395 0.927 20 50 GCGDHM CCc1[nH]c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1C(=O)OC ZINC000736666561 944866803 /nfs/dbraw/zinc/86/68/03/944866803.db2.gz LSHCXUQANCEVAN-UHFFFAOYSA-N -1 3 397.395 0.927 20 50 GCGDHM CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736704649 944874695 /nfs/dbraw/zinc/87/46/95/944874695.db2.gz AOMNIJMWAMXNEB-UHFFFAOYSA-N -1 3 391.395 0.635 20 50 GCGDHM CCn1nc(C)c(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736727427 944878726 /nfs/dbraw/zinc/87/87/26/944878726.db2.gz CYUCTBWDXLVPPP-UHFFFAOYSA-N -1 3 384.400 0.540 20 50 GCGDHM CN(C)CC(=O)NNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736760711 944885688 /nfs/dbraw/zinc/88/56/88/944885688.db2.gz BSQLQGSGRVZRJP-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM CN(C)c1nccc(=NNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000736779399 944889201 /nfs/dbraw/zinc/88/92/01/944889201.db2.gz NDYUJJTWEOAVHP-AWEZNQCLSA-N -1 3 394.443 0.835 20 50 GCGDHM CN(CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736801165 944893066 /nfs/dbraw/zinc/89/30/66/944893066.db2.gz SOBBRNRWFBLGQV-UHFFFAOYSA-N -1 3 380.412 0.947 20 50 GCGDHM CN(CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736801165 944893075 /nfs/dbraw/zinc/89/30/75/944893075.db2.gz SOBBRNRWFBLGQV-UHFFFAOYSA-N -1 3 380.412 0.947 20 50 GCGDHM CN(Cc1nccn1C(F)F)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736832063 944897803 /nfs/dbraw/zinc/89/78/03/944897803.db2.gz ZMGPJVZUWYMOBC-UHFFFAOYSA-N -1 3 391.342 0.945 20 50 GCGDHM CN(Cc1nccn1C(F)F)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736832063 944897807 /nfs/dbraw/zinc/89/78/07/944897807.db2.gz ZMGPJVZUWYMOBC-UHFFFAOYSA-N -1 3 391.342 0.945 20 50 GCGDHM CNS(=O)(=O)c1ccc(C(C)=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736881716 944905490 /nfs/dbraw/zinc/90/54/90/944905490.db2.gz GWCVCMIVRWBRIY-UHFFFAOYSA-N -1 3 399.436 0.929 20 50 GCGDHM CNS(=O)(=O)c1ccc(C(C)=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736881716 944905496 /nfs/dbraw/zinc/90/54/96/944905496.db2.gz GWCVCMIVRWBRIY-UHFFFAOYSA-N -1 3 399.436 0.929 20 50 GCGDHM COC(=O)[C@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736912134 944912510 /nfs/dbraw/zinc/91/25/10/944912510.db2.gz ZBIYOUWIHPSOCM-FUEWVNAISA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)[C@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736912134 944912519 /nfs/dbraw/zinc/91/25/19/944912519.db2.gz ZBIYOUWIHPSOCM-FUEWVNAISA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)CSCCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736930532 944912631 /nfs/dbraw/zinc/91/26/31/944912631.db2.gz HSNNPTJBUNYHKU-WUXMJOGZSA-N -1 3 389.441 0.443 20 50 GCGDHM COC(=O)CSCCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736930532 944912638 /nfs/dbraw/zinc/91/26/38/944912638.db2.gz HSNNPTJBUNYHKU-WUXMJOGZSA-N -1 3 389.441 0.443 20 50 GCGDHM COc1cc(CCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1O ZINC000737044778 944940675 /nfs/dbraw/zinc/94/06/75/944940675.db2.gz RUZOPMZYBJFYKI-UHFFFAOYSA-N -1 3 397.395 0.768 20 50 GCGDHM COc1cc(CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1O ZINC000737044778 944940681 /nfs/dbraw/zinc/94/06/81/944940681.db2.gz RUZOPMZYBJFYKI-UHFFFAOYSA-N -1 3 397.395 0.768 20 50 GCGDHM CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737163311 944974305 /nfs/dbraw/zinc/97/43/05/944974305.db2.gz VIFFYUHHDBJYGJ-CQSZACIVSA-N -1 3 392.441 0.705 20 50 GCGDHM CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737163311 944974309 /nfs/dbraw/zinc/97/43/09/944974309.db2.gz VIFFYUHHDBJYGJ-CQSZACIVSA-N -1 3 392.441 0.705 20 50 GCGDHM CSC[C@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737178651 944976114 /nfs/dbraw/zinc/97/61/14/944976114.db2.gz BQMCMGMKGIXVGR-MISVVRGBSA-N -1 3 375.458 0.651 20 50 GCGDHM CSC[C@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737178651 944976116 /nfs/dbraw/zinc/97/61/16/944976116.db2.gz BQMCMGMKGIXVGR-MISVVRGBSA-N -1 3 375.458 0.651 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000737194931 944981449 /nfs/dbraw/zinc/98/14/49/944981449.db2.gz WDXBHCPYBUOSIV-NSHDSACASA-N -1 3 382.384 0.732 20 50 GCGDHM Cc1nnc2n1CCN(C(=O)C(C#N)=Cc1cc(-c3nnn[n-]3)n(C)c1C)C2 ZINC000737211121 944984503 /nfs/dbraw/zinc/98/45/03/944984503.db2.gz AQXMIQARYXHFMD-AWNIVKPZSA-N -1 3 378.400 0.363 20 50 GCGDHM Cc1nnc2n1CCN(C(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)C2 ZINC000737211121 944984514 /nfs/dbraw/zinc/98/45/14/944984514.db2.gz AQXMIQARYXHFMD-AWNIVKPZSA-N -1 3 378.400 0.363 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000737211531 944986836 /nfs/dbraw/zinc/98/68/36/944986836.db2.gz CKFBIFFXBQQEAZ-DUWGPSABSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000737211531 944986842 /nfs/dbraw/zinc/98/68/42/944986842.db2.gz CKFBIFFXBQQEAZ-DUWGPSABSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(-c2nnn[n-]2)n1C ZINC000737212776 944997039 /nfs/dbraw/zinc/99/70/39/944997039.db2.gz MNWXCZDWWBLGIU-SNQWNFELSA-N -1 3 391.439 0.619 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(-c2nn[n-]n2)n1C ZINC000737212776 944997049 /nfs/dbraw/zinc/99/70/49/944997049.db2.gz MNWXCZDWWBLGIU-SNQWNFELSA-N -1 3 391.439 0.619 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCC(=O)NC(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000737213219 944998814 /nfs/dbraw/zinc/99/88/14/944998814.db2.gz QUGXGLRGRPAOCA-MDWZMJQESA-N -1 3 384.444 0.842 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCC(=O)NC(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000737213219 944998819 /nfs/dbraw/zinc/99/88/19/944998819.db2.gz QUGXGLRGRPAOCA-MDWZMJQESA-N -1 3 384.444 0.842 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCc3ncnn3C2)cc(-c2nnn[n-]2)n1C ZINC000737212995 944999197 /nfs/dbraw/zinc/99/91/97/944999197.db2.gz OTZIJEGIHVDUKB-YQJFHSMKSA-N -1 3 378.400 0.143 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCc3ncnn3C2)cc(-c2nn[n-]n2)n1C ZINC000737212995 944999207 /nfs/dbraw/zinc/99/92/07/944999207.db2.gz OTZIJEGIHVDUKB-YQJFHSMKSA-N -1 3 378.400 0.143 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCc3ncnn3C2)cc(-c2nnn[n-]2)n1C ZINC000737212992 944999454 /nfs/dbraw/zinc/99/94/54/944999454.db2.gz OTZIJEGIHVDUKB-QWGHSUKYSA-N -1 3 378.400 0.143 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCc3ncnn3C2)cc(-c2nn[n-]n2)n1C ZINC000737212992 944999457 /nfs/dbraw/zinc/99/94/57/944999457.db2.gz OTZIJEGIHVDUKB-QWGHSUKYSA-N -1 3 378.400 0.143 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCN2CCOC2=O)cc(-c2nnn[n-]2)n1C ZINC000737213491 945003105 /nfs/dbraw/zinc/00/31/05/945003105.db2.gz UJVZJMGCSOQIKC-JYRVWZFOSA-N -1 3 384.400 0.379 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCN2CCOC2=O)cc(-c2nn[n-]n2)n1C ZINC000737213491 945003113 /nfs/dbraw/zinc/00/31/13/945003113.db2.gz UJVZJMGCSOQIKC-JYRVWZFOSA-N -1 3 384.400 0.379 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2nnc3n2CCC3)cc(-c2nnn[n-]2)n1C ZINC000737213838 945009158 /nfs/dbraw/zinc/00/91/58/945009158.db2.gz XRMHHYHCRUYZOT-BNDQCTAISA-N -1 3 392.427 0.836 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2nnc3n2CCC3)cc(-c2nn[n-]n2)n1C ZINC000737213838 945009168 /nfs/dbraw/zinc/00/91/68/945009168.db2.gz XRMHHYHCRUYZOT-BNDQCTAISA-N -1 3 392.427 0.836 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCCS(=O)(=O)C2)cc(-c2nnn[n-]2)n1C ZINC000737213960 945010698 /nfs/dbraw/zinc/01/06/98/945010698.db2.gz ZHFXFCDPTYSJLM-TZQNSNDFSA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCCS(=O)(=O)C2)cc(-c2nn[n-]n2)n1C ZINC000737213960 945010703 /nfs/dbraw/zinc/01/07/03/945010703.db2.gz ZHFXFCDPTYSJLM-TZQNSNDFSA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](N3CCOCC3)C2)cc(-c2nn[n-]n2)n1C ZINC000737213982 945010966 /nfs/dbraw/zinc/01/09/66/945010966.db2.gz ZJXVUBCKYRDYBE-LRQZKABGSA-N -1 3 396.455 0.354 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000737213992 945011621 /nfs/dbraw/zinc/01/16/21/945011621.db2.gz ZKTRCJWZRHQCMN-FEZXJWFHSA-N -1 3 385.428 0.590 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000737213992 945011633 /nfs/dbraw/zinc/01/16/33/945011633.db2.gz ZKTRCJWZRHQCMN-FEZXJWFHSA-N -1 3 385.428 0.590 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1-n1cnnn1 ZINC000737236388 945017256 /nfs/dbraw/zinc/01/72/56/945017256.db2.gz JNQVTGILEFKHAC-UHFFFAOYSA-N -1 3 390.367 0.226 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1-n1cnnn1 ZINC000737236388 945017263 /nfs/dbraw/zinc/01/72/63/945017263.db2.gz JNQVTGILEFKHAC-UHFFFAOYSA-N -1 3 390.367 0.226 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)o1 ZINC000737241032 945018684 /nfs/dbraw/zinc/01/86/84/945018684.db2.gz ISERTNUJWRPQSA-UHFFFAOYSA-N -1 3 384.352 0.695 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC000737241032 945018692 /nfs/dbraw/zinc/01/86/92/945018692.db2.gz ISERTNUJWRPQSA-UHFFFAOYSA-N -1 3 384.352 0.695 20 50 GCGDHM Cc1ccc(NCC(=O)NNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737362795 945048494 /nfs/dbraw/zinc/04/84/94/945048494.db2.gz XDOLBBMBCYMWRC-UHFFFAOYSA-N -1 3 380.412 0.847 20 50 GCGDHM Cc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737416189 945061242 /nfs/dbraw/zinc/06/12/42/945061242.db2.gz XSMMRNXBLMOYAL-UHFFFAOYSA-N -1 3 379.380 0.366 20 50 GCGDHM Cc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737416189 945061254 /nfs/dbraw/zinc/06/12/54/945061254.db2.gz XSMMRNXBLMOYAL-UHFFFAOYSA-N -1 3 379.380 0.366 20 50 GCGDHM C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)CC1(C)OCCO1 ZINC000820269966 945401927 /nfs/dbraw/zinc/40/19/27/945401927.db2.gz QTBZJBOQAUJDEB-LLVKDONJSA-N -1 3 389.416 0.600 20 50 GCGDHM C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)CC1(C)OCCO1 ZINC000820269966 945401935 /nfs/dbraw/zinc/40/19/35/945401935.db2.gz QTBZJBOQAUJDEB-LLVKDONJSA-N -1 3 389.416 0.600 20 50 GCGDHM C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820473357 945460336 /nfs/dbraw/zinc/46/03/36/945460336.db2.gz AWTZLQRUTCQOGC-NSHDSACASA-N -1 3 391.432 0.373 20 50 GCGDHM C[C@@H](Sc1ccccn1)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820554921 945484233 /nfs/dbraw/zinc/48/42/33/945484233.db2.gz BOIBJKZUXXDOLF-LLVKDONJSA-N -1 3 399.436 0.969 20 50 GCGDHM CC1(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000820618756 945502237 /nfs/dbraw/zinc/50/22/37/945502237.db2.gz NPNQQNMKRXEFPX-UHFFFAOYSA-N -1 3 389.416 0.393 20 50 GCGDHM CC1(OCC(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820628494 945502358 /nfs/dbraw/zinc/50/23/58/945502358.db2.gz FSVPCOFZJOFVQJ-UHFFFAOYSA-N -1 3 388.384 0.130 20 50 GCGDHM CC1(OCC(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820628494 945502362 /nfs/dbraw/zinc/50/23/62/945502362.db2.gz FSVPCOFZJOFVQJ-UHFFFAOYSA-N -1 3 388.384 0.130 20 50 GCGDHM C[C@@H]1CC/C(=C/C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820677173 945521417 /nfs/dbraw/zinc/52/14/17/945521417.db2.gz PRWSHQQRWAWXAX-ZGSOTFDTSA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@@H]1CC/C(=C/C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820677173 945521425 /nfs/dbraw/zinc/52/14/25/945521425.db2.gz PRWSHQQRWAWXAX-ZGSOTFDTSA-N -1 3 384.396 0.917 20 50 GCGDHM CCCCO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821072670 945631587 /nfs/dbraw/zinc/63/15/87/945631587.db2.gz VMXJWRPGUMDIQS-NSHDSACASA-N -1 3 390.400 0.376 20 50 GCGDHM CCCCO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821072670 945631593 /nfs/dbraw/zinc/63/15/93/945631593.db2.gz VMXJWRPGUMDIQS-NSHDSACASA-N -1 3 390.400 0.376 20 50 GCGDHM CCNC(=O)N1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821286258 945663990 /nfs/dbraw/zinc/66/39/90/945663990.db2.gz PADWQIGPHJHGRQ-SVSAJMPUSA-N -1 3 397.443 0.341 20 50 GCGDHM CCNC(=O)N1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821286258 945663995 /nfs/dbraw/zinc/66/39/95/945663995.db2.gz PADWQIGPHJHGRQ-SVSAJMPUSA-N -1 3 397.443 0.341 20 50 GCGDHM CCOCCNC(=O)COC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821378683 945687189 /nfs/dbraw/zinc/68/71/89/945687189.db2.gz SBISAKLIFVXXQD-NTUHNPAUSA-N -1 3 387.400 0.117 20 50 GCGDHM CCOCCNC(=O)COC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821378683 945687195 /nfs/dbraw/zinc/68/71/95/945687195.db2.gz SBISAKLIFVXXQD-NTUHNPAUSA-N -1 3 387.400 0.117 20 50 GCGDHM CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821427223 945692605 /nfs/dbraw/zinc/69/26/05/945692605.db2.gz OSXPCXDNQZDDRW-NSHDSACASA-N -1 3 399.411 0.832 20 50 GCGDHM CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821427223 945692615 /nfs/dbraw/zinc/69/26/15/945692615.db2.gz OSXPCXDNQZDDRW-NSHDSACASA-N -1 3 399.411 0.832 20 50 GCGDHM CCc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821470106 945703094 /nfs/dbraw/zinc/70/30/94/945703094.db2.gz LYLUVAITUZLOKZ-UHFFFAOYSA-N -1 3 398.379 0.949 20 50 GCGDHM CCc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821470106 945703099 /nfs/dbraw/zinc/70/30/99/945703099.db2.gz LYLUVAITUZLOKZ-UHFFFAOYSA-N -1 3 398.379 0.949 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000821593670 945729571 /nfs/dbraw/zinc/72/95/71/945729571.db2.gz DXEDEYVUZZWHON-UHFFFAOYSA-N -1 3 396.367 0.672 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000821593670 945729574 /nfs/dbraw/zinc/72/95/74/945729574.db2.gz DXEDEYVUZZWHON-UHFFFAOYSA-N -1 3 396.367 0.672 20 50 GCGDHM CN(CCc1ccccc1F)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821604808 945741146 /nfs/dbraw/zinc/74/11/46/945741146.db2.gz HQLKTFXQURPRFF-UHFFFAOYSA-N -1 3 397.414 0.941 20 50 GCGDHM CN(CCc1ccccc1F)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821604808 945741154 /nfs/dbraw/zinc/74/11/54/945741154.db2.gz HQLKTFXQURPRFF-UHFFFAOYSA-N -1 3 397.414 0.941 20 50 GCGDHM CNc1nnc(SCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821637701 945763685 /nfs/dbraw/zinc/76/36/85/945763685.db2.gz QEMSENFOKKDIMG-UHFFFAOYSA-N -1 3 391.442 0.313 20 50 GCGDHM CNc1nnc(SCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821637701 945763689 /nfs/dbraw/zinc/76/36/89/945763689.db2.gz QEMSENFOKKDIMG-UHFFFAOYSA-N -1 3 391.442 0.313 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644600 945767119 /nfs/dbraw/zinc/76/71/19/945767119.db2.gz DJTFVPISWXEUOH-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644600 945767127 /nfs/dbraw/zinc/76/71/27/945767127.db2.gz DJTFVPISWXEUOH-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644512 945767801 /nfs/dbraw/zinc/76/78/01/945767801.db2.gz BIDKOXRAUUXKSU-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644512 945767806 /nfs/dbraw/zinc/76/78/06/945767806.db2.gz BIDKOXRAUUXKSU-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)C[C@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C1CC1 ZINC000821657610 945781869 /nfs/dbraw/zinc/78/18/69/945781869.db2.gz RGOYXKOSFHRXHN-BLXFFLACSA-N -1 3 383.412 0.879 20 50 GCGDHM COC(=O)C[C@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C1CC1 ZINC000821657610 945781873 /nfs/dbraw/zinc/78/18/73/945781873.db2.gz RGOYXKOSFHRXHN-BLXFFLACSA-N -1 3 383.412 0.879 20 50 GCGDHM COC(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821670082 945790496 /nfs/dbraw/zinc/79/04/96/945790496.db2.gz MFVNYUMVFKPXJK-UHFFFAOYSA-N -1 3 395.379 0.798 20 50 GCGDHM COC(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821670082 945790502 /nfs/dbraw/zinc/79/05/02/945790502.db2.gz MFVNYUMVFKPXJK-UHFFFAOYSA-N -1 3 395.379 0.798 20 50 GCGDHM CO[C@@H](CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821677428 945795259 /nfs/dbraw/zinc/79/52/59/945795259.db2.gz WRZKDYWRUFRSIO-ZDUSSCGKSA-N -1 3 377.405 0.247 20 50 GCGDHM CO[C@@H](CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821677428 945795261 /nfs/dbraw/zinc/79/52/61/945795261.db2.gz WRZKDYWRUFRSIO-ZDUSSCGKSA-N -1 3 377.405 0.247 20 50 GCGDHM CO[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000821678578 945799365 /nfs/dbraw/zinc/79/93/65/945799365.db2.gz POAMUUBMVVJYHB-STQMWFEESA-N -1 3 389.416 0.389 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821691764 945819095 /nfs/dbraw/zinc/81/90/95/945819095.db2.gz CUBOBVLVLRHAQQ-MNOVXSKESA-N -1 3 377.405 0.310 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821691764 945819105 /nfs/dbraw/zinc/81/91/05/945819105.db2.gz CUBOBVLVLRHAQQ-MNOVXSKESA-N -1 3 377.405 0.310 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000822027387 945932055 /nfs/dbraw/zinc/93/20/55/945932055.db2.gz GVRCDFSNSFLHLA-QWGHSUKYSA-N -1 3 396.411 0.073 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000822027387 945932065 /nfs/dbraw/zinc/93/20/65/945932065.db2.gz GVRCDFSNSFLHLA-QWGHSUKYSA-N -1 3 396.411 0.073 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(C(N)=O)n(C)c2)cc(-c2nnn[n-]2)n1C ZINC000822027485 945933756 /nfs/dbraw/zinc/93/37/56/945933756.db2.gz HHJHPKGOWYRULD-WCIBSUBMSA-N -1 3 379.384 0.497 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(C(N)=O)n(C)c2)cc(-c2nn[n-]n2)n1C ZINC000822027485 945933761 /nfs/dbraw/zinc/93/37/61/945933761.db2.gz HHJHPKGOWYRULD-WCIBSUBMSA-N -1 3 379.384 0.497 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C2CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000822028332 945941260 /nfs/dbraw/zinc/94/12/60/945941260.db2.gz NCCGJPHMGCQTJL-ACQAZONXSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000822028332 945941264 /nfs/dbraw/zinc/94/12/64/945941264.db2.gz NCCGJPHMGCQTJL-ACQAZONXSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C2CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000822028344 945941447 /nfs/dbraw/zinc/94/14/47/945941447.db2.gz NCCGJPHMGCQTJL-VFXTVZEFSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000822028344 945941454 /nfs/dbraw/zinc/94/14/54/945941454.db2.gz NCCGJPHMGCQTJL-VFXTVZEFSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(NC(N)=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000822028822 945948702 /nfs/dbraw/zinc/94/87/02/945948702.db2.gz SJPFBDJSTVLHEA-GHXNOFRVSA-N -1 3 383.416 0.080 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(NC(N)=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000822028822 945948711 /nfs/dbraw/zinc/94/87/11/945948711.db2.gz SJPFBDJSTVLHEA-GHXNOFRVSA-N -1 3 383.416 0.080 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000822029101 945952913 /nfs/dbraw/zinc/95/29/13/945952913.db2.gz VSADWAJQNGMKBH-QWGHSUKYSA-N -1 3 382.384 0.084 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000822029101 945952919 /nfs/dbraw/zinc/95/29/19/945952919.db2.gz VSADWAJQNGMKBH-QWGHSUKYSA-N -1 3 382.384 0.084 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(CCO)CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822029389 945955005 /nfs/dbraw/zinc/95/50/05/945955005.db2.gz XRXAWTPNTAYXFU-XPUDNMOSSA-N -1 3 385.428 0.326 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(CCO)CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822029389 945955014 /nfs/dbraw/zinc/95/50/14/945955014.db2.gz XRXAWTPNTAYXFU-XPUDNMOSSA-N -1 3 385.428 0.326 20 50 GCGDHM Cc1cc(N2CC[C@@H](NC(=O)NNc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822206198 945994293 /nfs/dbraw/zinc/99/42/93/945994293.db2.gz XULGZQHXLSMWNM-CYBMUJFWSA-N -1 3 396.415 0.340 20 50 GCGDHM Cc1cc(N2CC[C@@H](NC(=O)NNc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822206198 945994300 /nfs/dbraw/zinc/99/43/00/945994300.db2.gz XULGZQHXLSMWNM-CYBMUJFWSA-N -1 3 396.415 0.340 20 50 GCGDHM Cc1ccc(C(=O)C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822225015 946003837 /nfs/dbraw/zinc/00/38/37/946003837.db2.gz JSCDQDJEHIKVKB-UHFFFAOYSA-N -1 3 380.364 0.584 20 50 GCGDHM Cc1ccc(F)cc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822240920 946026991 /nfs/dbraw/zinc/02/69/91/946026991.db2.gz DTGWNDCLBAMMJE-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(F)cc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822240920 946027001 /nfs/dbraw/zinc/02/70/01/946027001.db2.gz DTGWNDCLBAMMJE-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822239699 946027849 /nfs/dbraw/zinc/02/78/49/946027849.db2.gz AHEAWGYVLJOGQI-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822239699 946027859 /nfs/dbraw/zinc/02/78/59/946027859.db2.gz AHEAWGYVLJOGQI-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cnc(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)s1 ZINC000822394975 946078570 /nfs/dbraw/zinc/07/85/70/946078570.db2.gz MZTFAAJCQBZKGV-UHFFFAOYSA-N -1 3 388.413 0.541 20 50 GCGDHM Cc1cnc(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)s1 ZINC000822394975 946078582 /nfs/dbraw/zinc/07/85/82/946078582.db2.gz MZTFAAJCQBZKGV-UHFFFAOYSA-N -1 3 388.413 0.541 20 50 GCGDHM Cc1ncc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822467292 946096203 /nfs/dbraw/zinc/09/62/03/946096203.db2.gz KWMIELLMCKRSQL-UHFFFAOYSA-N -1 3 387.381 0.250 20 50 GCGDHM Cc1ncc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822467292 946096217 /nfs/dbraw/zinc/09/62/17/946096217.db2.gz KWMIELLMCKRSQL-UHFFFAOYSA-N -1 3 387.381 0.250 20 50 GCGDHM Cc1nc2ccccn2c1C(=O)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822464040 946096784 /nfs/dbraw/zinc/09/67/84/946096784.db2.gz ZARQRFWWFWVVFW-UHFFFAOYSA-N -1 3 376.380 0.827 20 50 GCGDHM Cc1nc2ccccn2c1C(=O)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822464040 946096793 /nfs/dbraw/zinc/09/67/93/946096793.db2.gz ZARQRFWWFWVVFW-UHFFFAOYSA-N -1 3 376.380 0.827 20 50 GCGDHM Cc1nc2n(n1)CCC[C@H]2NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000822463013 946098854 /nfs/dbraw/zinc/09/88/54/946098854.db2.gz MJYRFSHJOACPQS-WTWVRAIASA-N -1 3 392.427 0.972 20 50 GCGDHM Cc1nc2n(n1)CCC[C@H]2NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000822463013 946098867 /nfs/dbraw/zinc/09/88/67/946098867.db2.gz MJYRFSHJOACPQS-WTWVRAIASA-N -1 3 392.427 0.972 20 50 GCGDHM Cc1ncc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822468235 946099569 /nfs/dbraw/zinc/09/95/69/946099569.db2.gz XYRRIWFAPYGWJM-UHFFFAOYSA-N -1 3 386.441 0.525 20 50 GCGDHM Cc1ncc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822468235 946099580 /nfs/dbraw/zinc/09/95/80/946099580.db2.gz XYRRIWFAPYGWJM-UHFFFAOYSA-N -1 3 386.441 0.525 20 50 GCGDHM Cc1ncsc1CN(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822482222 946101206 /nfs/dbraw/zinc/10/12/06/946101206.db2.gz MSKLBJGVBIHOJC-UHFFFAOYSA-N -1 3 386.441 0.525 20 50 GCGDHM Cc1ncsc1CN(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822482222 946101213 /nfs/dbraw/zinc/10/12/13/946101213.db2.gz MSKLBJGVBIHOJC-UHFFFAOYSA-N -1 3 386.441 0.525 20 50 GCGDHM Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822501118 946105862 /nfs/dbraw/zinc/10/58/62/946105862.db2.gz WVHNVHHULPKHRE-UHFFFAOYSA-N -1 3 388.819 0.994 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822492136 946106367 /nfs/dbraw/zinc/10/63/67/946106367.db2.gz RTFDSPSMPRYVLX-SNVBAGLBSA-N -1 3 397.443 0.792 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822492136 946106376 /nfs/dbraw/zinc/10/63/76/946106376.db2.gz RTFDSPSMPRYVLX-SNVBAGLBSA-N -1 3 397.443 0.792 20 50 GCGDHM Cc1nn(C)c(C)c1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822492396 946106677 /nfs/dbraw/zinc/10/66/77/946106677.db2.gz YRRBJEGQDNWTPS-UHFFFAOYSA-N -1 3 399.415 0.126 20 50 GCGDHM Cc1nn(C)c(C)c1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822492396 946106682 /nfs/dbraw/zinc/10/66/82/946106682.db2.gz YRRBJEGQDNWTPS-UHFFFAOYSA-N -1 3 399.415 0.126 20 50 GCGDHM Cn1c(NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)nc2ccccc2c1=O ZINC000822601440 946135631 /nfs/dbraw/zinc/13/56/31/946135631.db2.gz ZVJUIQKTIAFKMC-UHFFFAOYSA-N -1 3 392.379 0.636 20 50 GCGDHM N#Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822823784 946195990 /nfs/dbraw/zinc/19/59/90/946195990.db2.gz ZCPWSIOESZBOCP-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM N#Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822823784 946195998 /nfs/dbraw/zinc/19/59/98/946195998.db2.gz ZCPWSIOESZBOCP-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM NC(=O)c1cccc(OCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822889723 946210217 /nfs/dbraw/zinc/21/02/17/946210217.db2.gz CKOMVTPYKNJBMF-UHFFFAOYSA-N -1 3 395.379 0.196 20 50 GCGDHM NC(=O)c1cccc(OCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822889723 946210232 /nfs/dbraw/zinc/21/02/32/946210232.db2.gz CKOMVTPYKNJBMF-UHFFFAOYSA-N -1 3 395.379 0.196 20 50 GCGDHM NC(=O)c1cccc(OCCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822890269 946214107 /nfs/dbraw/zinc/21/41/07/946214107.db2.gz QXXMQUJZWIPSOM-UHFFFAOYSA-N -1 3 395.379 0.196 20 50 GCGDHM NC(=O)c1cccc(OCCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822890269 946214117 /nfs/dbraw/zinc/21/41/17/946214117.db2.gz QXXMQUJZWIPSOM-UHFFFAOYSA-N -1 3 395.379 0.196 20 50 GCGDHM O=C(CCSc1ccccn1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822974329 946240077 /nfs/dbraw/zinc/24/00/77/946240077.db2.gz HGAIXGHEJVFGCF-UHFFFAOYSA-N -1 3 399.436 0.970 20 50 GCGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000822978391 946243710 /nfs/dbraw/zinc/24/37/10/946243710.db2.gz JFAZVIAKECRZJX-UHFFFAOYSA-N -1 3 395.427 0.569 20 50 GCGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000822978391 946243715 /nfs/dbraw/zinc/24/37/15/946243715.db2.gz JFAZVIAKECRZJX-UHFFFAOYSA-N -1 3 395.427 0.569 20 50 GCGDHM O=C(CN1CCC[C@H](n2ccnc2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822997113 946257487 /nfs/dbraw/zinc/25/74/87/946257487.db2.gz NLTNCVJPGWFZIM-HNNXBMFYSA-N -1 3 395.427 0.161 20 50 GCGDHM O=C(CN1CCOC2(CCCC2)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823001601 946261583 /nfs/dbraw/zinc/26/15/83/946261583.db2.gz NVZMORCYSMWPJR-UHFFFAOYSA-N -1 3 385.428 0.273 20 50 GCGDHM O=C(CN1CCOC2(CCCC2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823001601 946261594 /nfs/dbraw/zinc/26/15/94/946261594.db2.gz NVZMORCYSMWPJR-UHFFFAOYSA-N -1 3 385.428 0.273 20 50 GCGDHM O=C(COC(=O)[C@@H]1CCCS1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018042 946271399 /nfs/dbraw/zinc/27/13/99/946271399.db2.gz GWSJBTLFLGNHLT-NSHDSACASA-N -1 3 376.398 0.067 20 50 GCGDHM O=C(COC(=O)[C@@H]1CCCS1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018042 946271410 /nfs/dbraw/zinc/27/14/10/946271410.db2.gz GWSJBTLFLGNHLT-NSHDSACASA-N -1 3 376.398 0.067 20 50 GCGDHM O=C(COC(=O)CC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018000 946271505 /nfs/dbraw/zinc/27/15/05/946271505.db2.gz GHSWKEJDQTZMLC-ZDUSSCGKSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)CC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018000 946271520 /nfs/dbraw/zinc/27/15/20/946271520.db2.gz GHSWKEJDQTZMLC-ZDUSSCGKSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)[C@@H]1Cc2ccccc21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018586 946273540 /nfs/dbraw/zinc/27/35/40/946273540.db2.gz SJCQHWTYWAZIDD-OAHLLOKOSA-N -1 3 392.375 0.511 20 50 GCGDHM O=C(COC(=O)[C@@H]1Cc2ccccc21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018586 946273551 /nfs/dbraw/zinc/27/35/51/946273551.db2.gz SJCQHWTYWAZIDD-OAHLLOKOSA-N -1 3 392.375 0.511 20 50 GCGDHM O=C(COC(=O)Cc1ccc(O)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018814 946275541 /nfs/dbraw/zinc/27/55/41/946275541.db2.gz YBQBRKYPSWVHDD-UHFFFAOYSA-N -1 3 396.363 0.119 20 50 GCGDHM O=C(COC(=O)Cc1ccc(O)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018814 946275550 /nfs/dbraw/zinc/27/55/50/946275550.db2.gz YBQBRKYPSWVHDD-UHFFFAOYSA-N -1 3 396.363 0.119 20 50 GCGDHM O=C(COC(=O)CCc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018647 946275795 /nfs/dbraw/zinc/27/57/95/946275795.db2.gz VHYMGRWOGVEMAD-UHFFFAOYSA-N -1 3 394.391 0.804 20 50 GCGDHM O=C(COC(=O)CCc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018647 946275803 /nfs/dbraw/zinc/27/58/03/946275803.db2.gz VHYMGRWOGVEMAD-UHFFFAOYSA-N -1 3 394.391 0.804 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@@H]1CCCc2[nH]ccc21 ZINC000823036425 946285154 /nfs/dbraw/zinc/28/51/54/946285154.db2.gz BRNDSAKAVPWSHO-OAHLLOKOSA-N -1 3 396.411 0.982 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1cc2ccccn2c1 ZINC000823036470 946285584 /nfs/dbraw/zinc/28/55/84/946285584.db2.gz CWUUGKCBQDGJSP-UHFFFAOYSA-N -1 3 377.364 0.959 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cc(F)ccc1F ZINC000823037306 946287744 /nfs/dbraw/zinc/28/77/44/946287744.db2.gz ULKVEPTWRSHUSK-UHFFFAOYSA-N -1 3 388.334 0.914 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@H]1CCCSC1 ZINC000823049501 946294426 /nfs/dbraw/zinc/29/44/26/946294426.db2.gz FEPIWSYYJZJSLC-JTQLQIEISA-N -1 3 377.430 0.472 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@H]1CCCSC1 ZINC000823049501 946294438 /nfs/dbraw/zinc/29/44/38/946294438.db2.gz FEPIWSYYJZJSLC-JTQLQIEISA-N -1 3 377.430 0.472 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@@H]1CCCc2[nH]ccc21 ZINC000823050442 946295826 /nfs/dbraw/zinc/29/58/26/946295826.db2.gz ZNWBXKXQFUSVFT-CQSZACIVSA-N -1 3 396.411 0.982 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@@H]1CCCc2[nH]ccc21 ZINC000823050442 946295835 /nfs/dbraw/zinc/29/58/35/946295835.db2.gz ZNWBXKXQFUSVFT-CQSZACIVSA-N -1 3 396.411 0.982 20 50 GCGDHM O=C(CSc1ccc(Cl)nn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823065941 946300898 /nfs/dbraw/zinc/30/08/98/946300898.db2.gz FRRHTMMUJKRMHD-UHFFFAOYSA-N -1 3 390.816 0.863 20 50 GCGDHM O=C(CSc1ccc(Cl)nn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823065941 946300907 /nfs/dbraw/zinc/30/09/07/946300907.db2.gz FRRHTMMUJKRMHD-UHFFFAOYSA-N -1 3 390.816 0.863 20 50 GCGDHM O=C(CSc1nccn1C1CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823070606 946302543 /nfs/dbraw/zinc/30/25/43/946302543.db2.gz GYDHLRSJLVLMPS-UHFFFAOYSA-N -1 3 384.425 0.951 20 50 GCGDHM O=C(CSc1nccn1C1CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823070606 946302552 /nfs/dbraw/zinc/30/25/52/946302552.db2.gz GYDHLRSJLVLMPS-UHFFFAOYSA-N -1 3 384.425 0.951 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823118949 946321784 /nfs/dbraw/zinc/32/17/84/946321784.db2.gz WTVZVIGUEGCFCV-UHFFFAOYSA-N -1 3 377.368 0.910 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823118949 946321793 /nfs/dbraw/zinc/32/17/93/946321793.db2.gz WTVZVIGUEGCFCV-UHFFFAOYSA-N -1 3 377.368 0.910 20 50 GCGDHM O=C(NNC(=O)[C@H]1COCCO1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823273799 946388501 /nfs/dbraw/zinc/38/85/01/946388501.db2.gz YNKQHMSWQLBGHI-MRXNPFEDSA-N -1 3 394.391 0.710 20 50 GCGDHM O=C(NNC(=O)[C@H]1COCCO1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823273799 946388512 /nfs/dbraw/zinc/38/85/12/946388512.db2.gz YNKQHMSWQLBGHI-MRXNPFEDSA-N -1 3 394.391 0.710 20 50 GCGDHM O=C(NNC(=O)N1CCOC2(CCOCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277318 946399734 /nfs/dbraw/zinc/39/97/34/946399734.db2.gz KFCKFCHAPAGASQ-UHFFFAOYSA-N -1 3 387.400 0.103 20 50 GCGDHM O=C(NNC(=O)N1CCOC2(CCOCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277318 946399744 /nfs/dbraw/zinc/39/97/44/946399744.db2.gz KFCKFCHAPAGASQ-UHFFFAOYSA-N -1 3 387.400 0.103 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277482 946402359 /nfs/dbraw/zinc/40/23/59/946402359.db2.gz NUCDMXAQKMPKRL-KGLIPLIRSA-N -1 3 387.400 0.101 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277482 946402366 /nfs/dbraw/zinc/40/23/66/946402366.db2.gz NUCDMXAQKMPKRL-KGLIPLIRSA-N -1 3 387.400 0.101 20 50 GCGDHM CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000824114358 946593471 /nfs/dbraw/zinc/59/34/71/946593471.db2.gz PTRFPDMSPNRONR-UHFFFAOYSA-N -1 3 378.393 0.261 20 50 GCGDHM CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000824114358 946593474 /nfs/dbraw/zinc/59/34/74/946593474.db2.gz PTRFPDMSPNRONR-UHFFFAOYSA-N -1 3 378.393 0.261 20 50 GCGDHM CC(C)OCCCCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824315750 946653950 /nfs/dbraw/zinc/65/39/50/946653950.db2.gz XBVNFUHLMQGBGO-UHFFFAOYSA-N -1 3 391.432 0.781 20 50 GCGDHM C[C@H](NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cncc(F)c1 ZINC000824563453 946800452 /nfs/dbraw/zinc/80/04/52/946800452.db2.gz OSGAYSLZQFRZBY-JTQLQIEISA-N -1 3 384.375 0.513 20 50 GCGDHM CN(C)S(=O)(=O)c1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)n(C)c1 ZINC000825875440 947353658 /nfs/dbraw/zinc/35/36/58/947353658.db2.gz PNJAVCUIKSKYJA-UHFFFAOYSA-N -1 3 390.429 0.212 20 50 GCGDHM CN(C)S(=O)(=O)c1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)n(C)c1 ZINC000825875440 947353673 /nfs/dbraw/zinc/35/36/73/947353673.db2.gz PNJAVCUIKSKYJA-UHFFFAOYSA-N -1 3 390.429 0.212 20 50 GCGDHM COCCOc1cc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000826160911 947506303 /nfs/dbraw/zinc/50/63/03/947506303.db2.gz MFCLDWKGXRAYRC-UHFFFAOYSA-N -1 3 383.368 0.362 20 50 GCGDHM Cc1nnc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1C1CC1 ZINC000826235273 947690586 /nfs/dbraw/zinc/69/05/86/947690586.db2.gz GYADAVMTDFXQAG-AWNIVKPZSA-N -1 3 392.427 0.972 20 50 GCGDHM Cc1nnc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1C1CC1 ZINC000826235273 947690597 /nfs/dbraw/zinc/69/05/97/947690597.db2.gz GYADAVMTDFXQAG-AWNIVKPZSA-N -1 3 392.427 0.972 20 50 GCGDHM Cc1cc(C(=O)NCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826259053 947746994 /nfs/dbraw/zinc/74/69/94/947746994.db2.gz GDOFFBMPOOUKDQ-UHFFFAOYSA-N -1 3 396.367 0.956 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC000826260956 947754507 /nfs/dbraw/zinc/75/45/07/947754507.db2.gz KYJZGHQFGFSGHG-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)CN(CCC(=O)[O-])C1CCOCC1 ZINC001594417717 959022108 /nfs/dbraw/zinc/02/21/08/959022108.db2.gz PYHUANKHISHAHQ-UHFFFAOYSA-N -1 3 377.441 0.641 20 50 GCGDHM CCc1sc(C(=O)NNC(=O)CN[C@@]2(CC(=O)[O-])CCCOC2)cc1C ZINC001597818419 989454085 /nfs/dbraw/zinc/45/40/85/989454085.db2.gz SLNJJACYGXORQB-QGZVFWFLSA-N -1 3 383.470 0.993 20 50 GCGDHM NC(=O)c1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000826392638 607338259 /nfs/dbraw/zinc/33/82/59/607338259.db2.gz GORHHYCRGWJGBQ-UHFFFAOYSA-N -1 3 389.379 0.908 20 50 GCGDHM NC(=O)c1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000826392638 607338261 /nfs/dbraw/zinc/33/82/61/607338261.db2.gz GORHHYCRGWJGBQ-UHFFFAOYSA-N -1 3 389.379 0.908 20 50 GCGDHM O=C(CCc1nc(-c2ncccn2)no1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408960 607343599 /nfs/dbraw/zinc/34/35/99/607343599.db2.gz CAIFATSKDZPEHP-UHFFFAOYSA-N -1 3 378.356 0.783 20 50 GCGDHM CS(=O)(=O)c1nc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c2ccccn21 ZINC000826224426 607348994 /nfs/dbraw/zinc/34/89/94/607348994.db2.gz CYZVITKCPWSFJD-UHFFFAOYSA-N -1 3 398.408 0.675 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000826446115 607349781 /nfs/dbraw/zinc/34/97/81/607349781.db2.gz AHLKEZFLMDAWIO-AWEZNQCLSA-N -1 3 386.397 0.040 20 50 GCGDHM CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825875277 607350043 /nfs/dbraw/zinc/35/00/43/607350043.db2.gz IGCOXWUUDLYTKM-UHFFFAOYSA-N -1 3 387.425 0.874 20 50 GCGDHM C#CCNS(=O)(=O)c1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823851117 607352233 /nfs/dbraw/zinc/35/22/33/607352233.db2.gz ZYFQUHUWBDBHJR-UHFFFAOYSA-N -1 3 397.420 0.535 20 50 GCGDHM CN(CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccccc1 ZINC000825892527 607352486 /nfs/dbraw/zinc/35/24/86/607352486.db2.gz OAQIHWQMJZFFSC-UHFFFAOYSA-N -1 3 387.425 0.631 20 50 GCGDHM CN(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825875342 607353845 /nfs/dbraw/zinc/35/38/45/607353845.db2.gz LPTFRKAOFKKJPK-UHFFFAOYSA-N -1 3 377.386 0.467 20 50 GCGDHM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000824039751 607355744 /nfs/dbraw/zinc/35/57/44/607355744.db2.gz HBFAJSVHRSHUDQ-JTQLQIEISA-N -1 3 384.400 0.563 20 50 GCGDHM C[C@H]1NC(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)=NN(c2ccccc2)C1=O ZINC000825013247 607354973 /nfs/dbraw/zinc/35/49/73/607354973.db2.gz NWNMPMLWIRFZDH-LLVKDONJSA-N -1 3 391.395 0.648 20 50 GCGDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826224071 607464752 /nfs/dbraw/zinc/46/47/52/607464752.db2.gz MZYPPGMWXOYUNX-UHFFFAOYSA-N -1 3 389.397 0.701 20 50 GCGDHM COC[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826150571 607561433 /nfs/dbraw/zinc/56/14/33/607561433.db2.gz HMYHNVYIABNNCE-LBPRGKRZSA-N -1 3 375.389 0.001 20 50 GCGDHM COC[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000826150571 607561434 /nfs/dbraw/zinc/56/14/34/607561434.db2.gz HMYHNVYIABNNCE-LBPRGKRZSA-N -1 3 375.389 0.001 20 50 GCGDHM O=C(COc1ccc(-c2nn[nH]n2)cc1)N[N-]C(=O)c1ccc2c(n1)CCCC2 ZINC000826417546 607564472 /nfs/dbraw/zinc/56/44/72/607564472.db2.gz VIFQVNFGEQMPTB-UHFFFAOYSA-N -1 3 393.407 0.981 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)Cc2cccnc2)cc1-c1nnn[n-]1 ZINC000826200332 607565113 /nfs/dbraw/zinc/56/51/13/607565113.db2.gz KTKZZAKUERUAGU-UHFFFAOYSA-N -1 3 382.384 0.343 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)Cc2cccnc2)cc1-c1nn[n-]n1 ZINC000826200332 607565114 /nfs/dbraw/zinc/56/51/14/607565114.db2.gz KTKZZAKUERUAGU-UHFFFAOYSA-N -1 3 382.384 0.343 20 50 GCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000826249816 607648511 /nfs/dbraw/zinc/64/85/11/607648511.db2.gz WHGNWWJRAIYRPF-HNNXBMFYSA-N -1 3 380.364 0.776 20 50 GCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000826249816 607648514 /nfs/dbraw/zinc/64/85/14/607648514.db2.gz WHGNWWJRAIYRPF-HNNXBMFYSA-N -1 3 380.364 0.776 20 50 GCGDHM Cn1ccnc1[C@@](O)(CC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826363984 607715760 /nfs/dbraw/zinc/71/57/60/607715760.db2.gz HMPMTLPNMNHWEH-AWEZNQCLSA-N -1 3 396.333 0.884 20 50 GCGDHM Cn1ccnc1[C@@](O)(CC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826363984 607715762 /nfs/dbraw/zinc/71/57/62/607715762.db2.gz HMPMTLPNMNHWEH-AWEZNQCLSA-N -1 3 396.333 0.884 20 50 GCGDHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424391 607719397 /nfs/dbraw/zinc/71/93/97/607719397.db2.gz KNJUGXLWETVIQK-UHFFFAOYSA-N -1 3 378.352 0.426 20 50 GCGDHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424391 607719399 /nfs/dbraw/zinc/71/93/99/607719399.db2.gz KNJUGXLWETVIQK-UHFFFAOYSA-N -1 3 378.352 0.426 20 50 GCGDHM CC1CCC(NS(=O)(=O)CC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824917239 607720823 /nfs/dbraw/zinc/72/08/23/607720823.db2.gz NCMVERKCGYYMIY-UHFFFAOYSA-N -1 3 393.473 0.808 20 50 GCGDHM CC1CCC(NS(=O)(=O)CC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824917239 607720824 /nfs/dbraw/zinc/72/08/24/607720824.db2.gz NCMVERKCGYYMIY-UHFFFAOYSA-N -1 3 393.473 0.808 20 50 GCGDHM CN(C)S(=O)(=O)c1ccsc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825875366 607720854 /nfs/dbraw/zinc/72/08/54/607720854.db2.gz MTYLRJMJWBDSKI-UHFFFAOYSA-N -1 3 393.454 0.935 20 50 GCGDHM CN(C)S(=O)(=O)c1ccsc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825875366 607720856 /nfs/dbraw/zinc/72/08/56/607720856.db2.gz MTYLRJMJWBDSKI-UHFFFAOYSA-N -1 3 393.454 0.935 20 50 GCGDHM CN1C(=O)N(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)C(=O)C12CCCCC2 ZINC000826016640 607722681 /nfs/dbraw/zinc/72/26/81/607722681.db2.gz DVUOCDOBOYWVMU-UHFFFAOYSA-N -1 3 398.427 0.907 20 50 GCGDHM CN1C(=O)N(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)C(=O)C12CCCCC2 ZINC000826016640 607722683 /nfs/dbraw/zinc/72/26/83/607722683.db2.gz DVUOCDOBOYWVMU-UHFFFAOYSA-N -1 3 398.427 0.907 20 50 GCGDHM C[C@]1(c2cccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c2)NC(=O)NC1=O ZINC000824844166 607733162 /nfs/dbraw/zinc/73/31/62/607733162.db2.gz RAWLWDOVEZSRBS-GOSISDBHSA-N -1 3 392.379 0.678 20 50 GCGDHM CC(C)(C)n1ncc2c1nc(NNC(=O)c1ccc(-c3nnn[n-]3)[nH]1)[nH]c2=O ZINC000824152746 607735676 /nfs/dbraw/zinc/73/56/76/607735676.db2.gz LOLNNKXRRXATDH-UHFFFAOYSA-N -1 3 383.376 0.552 20 50 GCGDHM CC(C)(C)n1ncc2c1nc(NNC(=O)c1ccc(-c3nn[n-]n3)[nH]1)[nH]c2=O ZINC000824152746 607735677 /nfs/dbraw/zinc/73/56/77/607735677.db2.gz LOLNNKXRRXATDH-UHFFFAOYSA-N -1 3 383.376 0.552 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277557 607052176 /nfs/dbraw/zinc/05/21/76/607052176.db2.gz PVCFXARVCLVSNA-KSSFIOAISA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277557 607052178 /nfs/dbraw/zinc/05/21/78/607052178.db2.gz PVCFXARVCLVSNA-KSSFIOAISA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277555 607052370 /nfs/dbraw/zinc/05/23/70/607052370.db2.gz PVCFXARVCLVSNA-KBXCAEBGSA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277555 607052371 /nfs/dbraw/zinc/05/23/71/607052371.db2.gz PVCFXARVCLVSNA-KBXCAEBGSA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCN(c2ccccn2)C1 ZINC000826445431 607793383 /nfs/dbraw/zinc/79/33/83/607793383.db2.gz UKTAAGLDCXWGID-AWEZNQCLSA-N -1 3 393.411 0.485 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCN(c2ccccn2)C1 ZINC000826445431 607793384 /nfs/dbraw/zinc/79/33/84/607793384.db2.gz UKTAAGLDCXWGID-AWEZNQCLSA-N -1 3 393.411 0.485 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826445126 607793591 /nfs/dbraw/zinc/79/35/91/607793591.db2.gz HPJUBURNDXUUBH-CQSZACIVSA-N -1 3 393.411 0.485 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826445126 607793592 /nfs/dbraw/zinc/79/35/92/607793592.db2.gz HPJUBURNDXUUBH-CQSZACIVSA-N -1 3 393.411 0.485 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@H](C2CCOCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444369 607854747 /nfs/dbraw/zinc/85/47/47/607854747.db2.gz CKMJYLFZCYWAPQ-OAHLLOKOSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@H](C2CCOCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444369 607854748 /nfs/dbraw/zinc/85/47/48/607854748.db2.gz CKMJYLFZCYWAPQ-OAHLLOKOSA-N -1 3 385.428 0.970 20 50 GCGDHM Cc1cnccc1CCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826319564 607860907 /nfs/dbraw/zinc/86/09/07/607860907.db2.gz IPKMBCITEVHAAN-UHFFFAOYSA-N -1 3 396.411 0.522 20 50 GCGDHM Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826334040 607888591 /nfs/dbraw/zinc/88/85/91/607888591.db2.gz FPEXCUPGBIMDJS-UHFFFAOYSA-N -1 3 395.427 0.509 20 50 GCGDHM Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826334040 607888592 /nfs/dbraw/zinc/88/85/92/607888592.db2.gz FPEXCUPGBIMDJS-UHFFFAOYSA-N -1 3 395.427 0.509 20 50 GCGDHM CC1=C(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCO1 ZINC000824853147 607919934 /nfs/dbraw/zinc/91/99/34/607919934.db2.gz WZFJXUPIAAGKQM-UHFFFAOYSA-N -1 3 386.368 0.255 20 50 GCGDHM CC1=C(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCO1 ZINC000824853147 607919935 /nfs/dbraw/zinc/91/99/35/607919935.db2.gz WZFJXUPIAAGKQM-UHFFFAOYSA-N -1 3 386.368 0.255 20 50 GCGDHM COCCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccco1 ZINC000826157783 607920886 /nfs/dbraw/zinc/92/08/86/607920886.db2.gz LOWIJOFWTAWVJE-UHFFFAOYSA-N -1 3 399.411 0.369 20 50 GCGDHM COCCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccco1 ZINC000826157783 607920887 /nfs/dbraw/zinc/92/08/87/607920887.db2.gz LOWIJOFWTAWVJE-UHFFFAOYSA-N -1 3 399.411 0.369 20 50 GCGDHM C[C@H](O)CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824708617 607923289 /nfs/dbraw/zinc/92/32/89/607923289.db2.gz ZEKURSBXLWCLMK-ZDUSSCGKSA-N -1 3 395.423 0.515 20 50 GCGDHM C[C@H](O)CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824708617 607923290 /nfs/dbraw/zinc/92/32/90/607923290.db2.gz ZEKURSBXLWCLMK-ZDUSSCGKSA-N -1 3 395.423 0.515 20 50 GCGDHM O=C(CN1CCCC[C@H]1c1cn[nH]c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410119 607925573 /nfs/dbraw/zinc/92/55/73/607925573.db2.gz CBRUMOKKQJMAMS-HNNXBMFYSA-N -1 3 395.427 0.578 20 50 GCGDHM O=C(CN1CCCC[C@H]1c1cn[nH]c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410119 607925574 /nfs/dbraw/zinc/92/55/74/607925574.db2.gz CBRUMOKKQJMAMS-HNNXBMFYSA-N -1 3 395.427 0.578 20 50 GCGDHM O=C(CN1CCc2cccc(F)c21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411769 607925662 /nfs/dbraw/zinc/92/56/62/607925662.db2.gz MMPROGVBTPNJTR-UHFFFAOYSA-N -1 3 381.371 0.830 20 50 GCGDHM O=C(CN1CCc2cccc(F)c21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411769 607925663 /nfs/dbraw/zinc/92/56/63/607925663.db2.gz MMPROGVBTPNJTR-UHFFFAOYSA-N -1 3 381.371 0.830 20 50 GCGDHM C=CCCOCCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000823899106 607958991 /nfs/dbraw/zinc/95/89/91/607958991.db2.gz LPUTUROYDUOFBQ-UHFFFAOYSA-N -1 3 375.389 0.169 20 50 GCGDHM C=CCCOCCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000823899106 607958992 /nfs/dbraw/zinc/95/89/92/607958992.db2.gz LPUTUROYDUOFBQ-UHFFFAOYSA-N -1 3 375.389 0.169 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824670682 607979284 /nfs/dbraw/zinc/97/92/84/607979284.db2.gz UDLMEPLRCKRLPA-GOSISDBHSA-N -1 3 399.386 0.858 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824670682 607979285 /nfs/dbraw/zinc/97/92/85/607979285.db2.gz UDLMEPLRCKRLPA-GOSISDBHSA-N -1 3 399.386 0.858 20 50 GCGDHM O=C(CN1CC[C@H](C(F)(F)F)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826410743 608041659 /nfs/dbraw/zinc/04/16/59/608041659.db2.gz WZOBKQSTIUREPK-NSHDSACASA-N -1 3 383.334 0.512 20 50 GCGDHM O=C(CN1CC[C@H](C(F)(F)F)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826410743 608041660 /nfs/dbraw/zinc/04/16/60/608041660.db2.gz WZOBKQSTIUREPK-NSHDSACASA-N -1 3 383.334 0.512 20 50 GCGDHM CC(C)n1cccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824371779 608118069 /nfs/dbraw/zinc/11/80/69/608118069.db2.gz RYFZWBCHUCMNFC-UHFFFAOYSA-N -1 3 397.395 0.867 20 50 GCGDHM CC(C)n1cccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824371779 608118070 /nfs/dbraw/zinc/11/80/70/608118070.db2.gz RYFZWBCHUCMNFC-UHFFFAOYSA-N -1 3 397.395 0.867 20 50 GCGDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000826185869 608141859 /nfs/dbraw/zinc/14/18/59/608141859.db2.gz WMTXKXLTWKJMLK-UHFFFAOYSA-N -1 3 398.339 0.865 20 50 GCGDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000826185869 608141860 /nfs/dbraw/zinc/14/18/60/608141860.db2.gz WMTXKXLTWKJMLK-UHFFFAOYSA-N -1 3 398.339 0.865 20 50 GCGDHM C[C@H]1C[C@H](CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824885923 608203929 /nfs/dbraw/zinc/20/39/29/608203929.db2.gz VEPPEGOHRURKPE-NWDGAFQWSA-N -1 3 389.416 0.391 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OCC[C@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000826236120 608206522 /nfs/dbraw/zinc/20/65/22/608206522.db2.gz ZCJWRHBZYDNRET-GUNGLEHYSA-N -1 3 396.411 0.474 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OCC[C@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000826236120 608206524 /nfs/dbraw/zinc/20/65/24/608206524.db2.gz ZCJWRHBZYDNRET-GUNGLEHYSA-N -1 3 396.411 0.474 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OCC[C@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000826236121 608206692 /nfs/dbraw/zinc/20/66/92/608206692.db2.gz ZCJWRHBZYDNRET-LVOZBFFPSA-N -1 3 396.411 0.474 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OCC[C@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000826236121 608206693 /nfs/dbraw/zinc/20/66/93/608206693.db2.gz ZCJWRHBZYDNRET-LVOZBFFPSA-N -1 3 396.411 0.474 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000826235091 608251622 /nfs/dbraw/zinc/25/16/22/608251622.db2.gz BLGJJCFEIYJIAZ-SVSAJMPUSA-N -1 3 380.412 0.254 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000826235091 608251623 /nfs/dbraw/zinc/25/16/23/608251623.db2.gz BLGJJCFEIYJIAZ-SVSAJMPUSA-N -1 3 380.412 0.254 20 50 GCGDHM C[C@H]1CSC(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)=N1 ZINC000825012408 608266327 /nfs/dbraw/zinc/26/63/27/608266327.db2.gz IMWCBKSJECESOY-QMMMGPOBSA-N -1 3 377.455 0.852 20 50 GCGDHM C[C@H]1CSC(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)=N1 ZINC000825012408 608266329 /nfs/dbraw/zinc/26/63/29/608266329.db2.gz IMWCBKSJECESOY-QMMMGPOBSA-N -1 3 377.455 0.852 20 50 GCGDHM CC(C)(CCCO)CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824152371 608273600 /nfs/dbraw/zinc/27/36/00/608273600.db2.gz CKTYZSJLCQVNMQ-UHFFFAOYSA-N -1 3 391.432 0.375 20 50 GCGDHM Cc1ccc2c(c1)CCN2CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826293754 608323577 /nfs/dbraw/zinc/32/35/77/608323577.db2.gz AEOBLRGTUVNSQC-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM Cc1ccc2c(c1)CCN2CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826293754 608323579 /nfs/dbraw/zinc/32/35/79/608323579.db2.gz AEOBLRGTUVNSQC-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM Cc1ccc2c(c1)CCN2CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826294638 608324122 /nfs/dbraw/zinc/32/41/22/608324122.db2.gz XVGMNBUIRGSGBX-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM Cc1ccc2c(c1)CCN2CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826294638 608324124 /nfs/dbraw/zinc/32/41/24/608324124.db2.gz XVGMNBUIRGSGBX-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2ccc(C(N)=O)nc2)cc(-c2nn[n-]n2)n1C ZINC000826235049 608381053 /nfs/dbraw/zinc/38/10/53/608381053.db2.gz AMGBWRVMEUKTRT-WZUFQYTHSA-N -1 3 377.368 0.553 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nc[nH]n2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445482 608450830 /nfs/dbraw/zinc/45/08/30/608450830.db2.gz WIJWSRDQZNGRRI-UHFFFAOYSA-N -1 3 375.352 0.727 20 50 GCGDHM O=C(CN1CCC[C@H]1c1ccncc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410138 608457372 /nfs/dbraw/zinc/45/73/72/608457372.db2.gz DCCUXGPNILJQDA-INIZCTEOSA-N -1 3 392.423 0.860 20 50 GCGDHM O=C(CN1CCC[C@H]1c1ccncc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410138 608457374 /nfs/dbraw/zinc/45/73/74/608457374.db2.gz DCCUXGPNILJQDA-INIZCTEOSA-N -1 3 392.423 0.860 20 50 GCGDHM CCc1ccnc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825728249 608458520 /nfs/dbraw/zinc/45/85/20/608458520.db2.gz KWQUOWZPYADNCO-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM CCc1ccnc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825728249 608458522 /nfs/dbraw/zinc/45/85/22/608458522.db2.gz KWQUOWZPYADNCO-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826145528 608538186 /nfs/dbraw/zinc/53/81/86/608538186.db2.gz IETBNIOKXPHAES-DGCLKSJQSA-N -1 3 389.416 0.391 20 50 GCGDHM CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826145528 608538188 /nfs/dbraw/zinc/53/81/88/608538188.db2.gz IETBNIOKXPHAES-DGCLKSJQSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](c1ccccn1)N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824772644 608582298 /nfs/dbraw/zinc/58/22/98/608582298.db2.gz WJKIWAHMIRRIPI-LBPRGKRZSA-N -1 3 380.412 0.716 20 50 GCGDHM C[C@@H](c1ccccn1)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824772644 608582299 /nfs/dbraw/zinc/58/22/99/608582299.db2.gz WJKIWAHMIRRIPI-LBPRGKRZSA-N -1 3 380.412 0.716 20 50 GCGDHM C[C@H](c1ccncc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824770148 608803472 /nfs/dbraw/zinc/80/34/72/608803472.db2.gz FOFQHNVLAVWZBM-GFCCVEGCSA-N -1 3 380.412 0.716 20 50 GCGDHM C[C@H](c1ccncc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824770148 608803475 /nfs/dbraw/zinc/80/34/75/608803475.db2.gz FOFQHNVLAVWZBM-GFCCVEGCSA-N -1 3 380.412 0.716 20 50 GCGDHM C[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824893449 608846485 /nfs/dbraw/zinc/84/64/85/608846485.db2.gz QWBCYYHYOODYPJ-CMPLNLGQSA-N -1 3 375.389 0.143 20 50 GCGDHM C[C@](O)(CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824669267 609183038 /nfs/dbraw/zinc/18/30/38/609183038.db2.gz BUMQEXYBSSAIBA-IBGZPJMESA-N -1 3 396.407 0.691 20 50 GCGDHM O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444763 609217464 /nfs/dbraw/zinc/21/74/64/609217464.db2.gz SRNGMVQZVBPLFI-LSDHHAIUSA-N -1 3 380.364 0.051 20 50 GCGDHM O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444763 609217466 /nfs/dbraw/zinc/21/74/66/609217466.db2.gz SRNGMVQZVBPLFI-LSDHHAIUSA-N -1 3 380.364 0.051 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C(C)C)C(=O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235078 609265506 /nfs/dbraw/zinc/26/55/06/609265506.db2.gz BCCRBDNZCDBLHU-AUWJEWJLSA-N -1 3 382.428 0.500 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C(C)C)C(=O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235078 609265508 /nfs/dbraw/zinc/26/55/08/609265508.db2.gz BCCRBDNZCDBLHU-AUWJEWJLSA-N -1 3 382.428 0.500 20 50 GCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=S)N1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948775 609275349 /nfs/dbraw/zinc/27/53/49/609275349.db2.gz XPEDENIHIAOCII-UHFFFAOYSA-N -1 3 388.388 0.873 20 50 GCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=S)N1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948775 609275350 /nfs/dbraw/zinc/27/53/50/609275350.db2.gz XPEDENIHIAOCII-UHFFFAOYSA-N -1 3 388.388 0.873 20 50 GCGDHM CC(C)NC(=O)C(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000824300794 609303768 /nfs/dbraw/zinc/30/37/68/609303768.db2.gz LREKLYHBKDOBBW-UHFFFAOYSA-N -1 3 381.400 0.242 20 50 GCGDHM CC(C)NC(=O)C(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000824300794 609303770 /nfs/dbraw/zinc/30/37/70/609303770.db2.gz LREKLYHBKDOBBW-UHFFFAOYSA-N -1 3 381.400 0.242 20 50 GCGDHM Cn1cc(C(=O)NN=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826358868 609306245 /nfs/dbraw/zinc/30/62/45/609306245.db2.gz MAKNBGQLELMFAM-UHFFFAOYSA-N -1 3 376.384 0.765 20 50 GCGDHM Cn1cc(C(=O)NN=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826358868 609306247 /nfs/dbraw/zinc/30/62/47/609306247.db2.gz MAKNBGQLELMFAM-UHFFFAOYSA-N -1 3 376.384 0.765 20 50 GCGDHM COc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1-n1cnnn1 ZINC000826187485 609417080 /nfs/dbraw/zinc/41/70/80/609417080.db2.gz SAKRMOHNOKLLLX-UHFFFAOYSA-N -1 3 378.356 0.608 20 50 GCGDHM COc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1-n1cnnn1 ZINC000826187485 609417082 /nfs/dbraw/zinc/41/70/82/609417082.db2.gz SAKRMOHNOKLLLX-UHFFFAOYSA-N -1 3 378.356 0.608 20 50 GCGDHM CCOC(=O)[C@@H](CC(C)C)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825486741 609448654 /nfs/dbraw/zinc/44/86/54/609448654.db2.gz XGMLMOJBBQDUBZ-CQSZACIVSA-N -1 3 376.417 0.844 20 50 GCGDHM CN(CCc1ccncc1)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825946241 609489236 /nfs/dbraw/zinc/48/92/36/609489236.db2.gz PENSPEZGSIJUMD-UHFFFAOYSA-N -1 3 380.412 0.197 20 50 GCGDHM CN(CCc1ccncc1)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825946241 609489238 /nfs/dbraw/zinc/48/92/38/609489238.db2.gz PENSPEZGSIJUMD-UHFFFAOYSA-N -1 3 380.412 0.197 20 50 GCGDHM CCOC(=O)C(C#N)=CN[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825486411 609504644 /nfs/dbraw/zinc/50/46/44/609504644.db2.gz RCUYAYNEAOPOLR-BMOGTNHUSA-N -1 3 381.396 0.922 20 50 GCGDHM CCOC(=O)C(C#N)=CN[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825486411 609504645 /nfs/dbraw/zinc/50/46/45/609504645.db2.gz RCUYAYNEAOPOLR-BMOGTNHUSA-N -1 3 381.396 0.922 20 50 GCGDHM Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737451764 945070410 /nfs/dbraw/zinc/07/04/10/945070410.db2.gz BLZYOIGSNKDHAG-AWEZNQCLSA-N -1 3 384.400 0.763 20 50 GCGDHM Cc1nc(CCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737472619 945074728 /nfs/dbraw/zinc/07/47/28/945074728.db2.gz WBPJWQMOZRMTLB-UHFFFAOYSA-N -1 3 387.425 0.791 20 50 GCGDHM Cc1ncc2c(n1)CC[C@@H](NC(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC000737500797 945084923 /nfs/dbraw/zinc/08/49/23/945084923.db2.gz PZWDTMKUZBGNPN-CQSZACIVSA-N -1 3 393.411 0.467 20 50 GCGDHM Cc1ncc2c(n1)CC[C@@H](NC(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC000737500797 945084932 /nfs/dbraw/zinc/08/49/32/945084932.db2.gz PZWDTMKUZBGNPN-CQSZACIVSA-N -1 3 393.411 0.467 20 50 GCGDHM Cc1nn(C)c2ncc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)cc12 ZINC000737511226 945086029 /nfs/dbraw/zinc/08/60/29/945086029.db2.gz LLFGOJTTZOAOCH-UHFFFAOYSA-N -1 3 377.368 0.532 20 50 GCGDHM Cc1nn(C)c2ncc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)cc12 ZINC000737511226 945086035 /nfs/dbraw/zinc/08/60/35/945086035.db2.gz LLFGOJTTZOAOCH-UHFFFAOYSA-N -1 3 377.368 0.532 20 50 GCGDHM Cc1nn(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC000737513812 945088200 /nfs/dbraw/zinc/08/82/00/945088200.db2.gz URCGREIXACDQPS-UHFFFAOYSA-N -1 3 385.344 0.049 20 50 GCGDHM Cc1nn(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC000737513812 945088212 /nfs/dbraw/zinc/08/82/12/945088212.db2.gz URCGREIXACDQPS-UHFFFAOYSA-N -1 3 385.344 0.049 20 50 GCGDHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNC(=O)c1cnn(C)c1 ZINC000737546696 945094280 /nfs/dbraw/zinc/09/42/80/945094280.db2.gz FDOIWLRHJDSYSY-UHFFFAOYSA-N -1 3 381.356 0.367 20 50 GCGDHM Cc1sc(=O)n(CCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737560581 945095860 /nfs/dbraw/zinc/09/58/60/945095860.db2.gz GKPWWCQVFFZTTJ-UHFFFAOYSA-N -1 3 387.425 0.558 20 50 GCGDHM Cc1sc(=O)n(CCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737560581 945095878 /nfs/dbraw/zinc/09/58/78/945095878.db2.gz GKPWWCQVFFZTTJ-UHFFFAOYSA-N -1 3 387.425 0.558 20 50 GCGDHM Cn1cc([C@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000737606471 945102323 /nfs/dbraw/zinc/10/23/23/945102323.db2.gz SBONCXYWJOLYLD-ZDUSSCGKSA-N -1 3 381.400 0.444 20 50 GCGDHM Cn1cc([C@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000737606471 945102335 /nfs/dbraw/zinc/10/23/35/945102335.db2.gz SBONCXYWJOLYLD-ZDUSSCGKSA-N -1 3 381.400 0.444 20 50 GCGDHM Cn1cc([C@@H]2CCN(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000737606404 945102542 /nfs/dbraw/zinc/10/25/42/945102542.db2.gz QXSGEUUGOZSBMT-CYBMUJFWSA-N -1 3 381.400 0.444 20 50 GCGDHM Cn1cc([C@@H]2CCN(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000737606404 945102550 /nfs/dbraw/zinc/10/25/50/945102550.db2.gz QXSGEUUGOZSBMT-CYBMUJFWSA-N -1 3 381.400 0.444 20 50 GCGDHM Cn1cccc1C(=O)NNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737613990 945105294 /nfs/dbraw/zinc/10/52/94/945105294.db2.gz RRLCKFAKXGBIEN-UHFFFAOYSA-N -1 3 392.383 0.048 20 50 GCGDHM Cn1cccc1C(=O)NNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737613990 945105296 /nfs/dbraw/zinc/10/52/96/945105296.db2.gz RRLCKFAKXGBIEN-UHFFFAOYSA-N -1 3 392.383 0.048 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000737722901 945116171 /nfs/dbraw/zinc/11/61/71/945116171.db2.gz NIXHAVNTRCWRMC-UHFFFAOYSA-N -1 3 392.383 0.189 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000737722901 945116175 /nfs/dbraw/zinc/11/61/75/945116175.db2.gz NIXHAVNTRCWRMC-UHFFFAOYSA-N -1 3 392.383 0.189 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)CSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000737723313 945116376 /nfs/dbraw/zinc/11/63/76/945116376.db2.gz STUCYBDLBWPEST-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)CSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000737723313 945116379 /nfs/dbraw/zinc/11/63/79/945116379.db2.gz STUCYBDLBWPEST-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737723317 945117002 /nfs/dbraw/zinc/11/70/02/945117002.db2.gz SUNKBESIACYTSN-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737723317 945117006 /nfs/dbraw/zinc/11/70/06/945117006.db2.gz SUNKBESIACYTSN-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000737736372 945118059 /nfs/dbraw/zinc/11/80/59/945118059.db2.gz IQGFGYUDNHZXNQ-HNNXBMFYSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)[C@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000737736373 945118903 /nfs/dbraw/zinc/11/89/03/945118903.db2.gz IQGFGYUDNHZXNQ-OAHLLOKOSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)[C@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737111 945119689 /nfs/dbraw/zinc/11/96/89/945119689.db2.gz OFUJTUQKHIUJEN-HUUCEWRRSA-N -1 3 379.380 0.018 20 50 GCGDHM NC(=O)[C@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737111 945119694 /nfs/dbraw/zinc/11/96/94/945119694.db2.gz OFUJTUQKHIUJEN-HUUCEWRRSA-N -1 3 379.380 0.018 20 50 GCGDHM NC(=O)[C@H](NNC(=O)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737148 945120375 /nfs/dbraw/zinc/12/03/75/945120375.db2.gz OOQYEGITDHJPLV-MRXNPFEDSA-N -1 3 381.396 0.483 20 50 GCGDHM NC(=O)[C@H](NNC(=O)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737148 945120377 /nfs/dbraw/zinc/12/03/77/945120377.db2.gz OOQYEGITDHJPLV-MRXNPFEDSA-N -1 3 381.396 0.483 20 50 GCGDHM O=C(CCNC(=O)c1cccs1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737846238 945136298 /nfs/dbraw/zinc/13/62/98/945136298.db2.gz IEUYOLOZLMANES-UHFFFAOYSA-N -1 3 385.409 0.509 20 50 GCGDHM O=C(CCNC(=O)c1cccs1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737846238 945136304 /nfs/dbraw/zinc/13/63/04/945136304.db2.gz IEUYOLOZLMANES-UHFFFAOYSA-N -1 3 385.409 0.509 20 50 GCGDHM O=C(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)NC1CCCCC1 ZINC000737888305 945144223 /nfs/dbraw/zinc/14/42/23/945144223.db2.gz AWVMZWGUQYKQMS-UHFFFAOYSA-N -1 3 386.416 0.260 20 50 GCGDHM O=C(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)NC1CCCCC1 ZINC000737888305 945144228 /nfs/dbraw/zinc/14/42/28/945144228.db2.gz AWVMZWGUQYKQMS-UHFFFAOYSA-N -1 3 386.416 0.260 20 50 GCGDHM O=C(CN1Cc2ccccc2C1=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737883011 945145281 /nfs/dbraw/zinc/14/52/81/945145281.db2.gz BOLMFMDDIFKLRL-UHFFFAOYSA-N -1 3 377.364 0.284 20 50 GCGDHM O=C(CN1Cc2ccccc2C1=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737883011 945145286 /nfs/dbraw/zinc/14/52/86/945145286.db2.gz BOLMFMDDIFKLRL-UHFFFAOYSA-N -1 3 377.364 0.284 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1ccccc1F ZINC000737890127 945147080 /nfs/dbraw/zinc/14/70/80/945147080.db2.gz SZXMVOCBZSBBIT-UHFFFAOYSA-N -1 3 397.370 0.126 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccccc1F ZINC000737890127 945147087 /nfs/dbraw/zinc/14/70/87/945147087.db2.gz SZXMVOCBZSBBIT-UHFFFAOYSA-N -1 3 397.370 0.126 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C1C(=O)Nc2cc(F)ccc21 ZINC000737919897 945155578 /nfs/dbraw/zinc/15/55/78/945155578.db2.gz ZUCHCLKEAMFQAG-UHFFFAOYSA-N -1 3 381.327 0.857 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=S)NCCc1ccccn1 ZINC000737929692 945156421 /nfs/dbraw/zinc/15/64/21/945156421.db2.gz GXYIQGLEFJWELV-UHFFFAOYSA-N -1 3 398.452 0.379 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=S)NCCc1ccccn1 ZINC000737929692 945156427 /nfs/dbraw/zinc/15/64/27/945156427.db2.gz GXYIQGLEFJWELV-UHFFFAOYSA-N -1 3 398.452 0.379 20 50 GCGDHM O=C(NCCN1Cc2ccccc2C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738076039 945183456 /nfs/dbraw/zinc/18/34/56/945183456.db2.gz VAVBPPLLONQAFM-UHFFFAOYSA-N -1 3 392.423 0.827 20 50 GCGDHM O=C(NCCN1Cc2ccccc2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738076039 945183461 /nfs/dbraw/zinc/18/34/61/945183461.db2.gz VAVBPPLLONQAFM-UHFFFAOYSA-N -1 3 392.423 0.827 20 50 GCGDHM O=C(NCc1nccn1C(F)F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738122946 945193006 /nfs/dbraw/zinc/19/30/06/945193006.db2.gz MUIKOOZBXVFYIN-UHFFFAOYSA-N -1 3 377.315 0.603 20 50 GCGDHM O=C(NCc1nccn1C(F)F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738122946 945193015 /nfs/dbraw/zinc/19/30/15/945193015.db2.gz MUIKOOZBXVFYIN-UHFFFAOYSA-N -1 3 377.315 0.603 20 50 GCGDHM O=C(NCc1cccc([N+](=O)[O-])c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738118105 945193178 /nfs/dbraw/zinc/19/31/78/945193178.db2.gz XERXMNUGJGQQQP-UHFFFAOYSA-N -1 3 382.340 0.919 20 50 GCGDHM O=C(NCc1cccc([N+](=O)[O-])c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738118105 945193185 /nfs/dbraw/zinc/19/31/85/945193185.db2.gz XERXMNUGJGQQQP-UHFFFAOYSA-N -1 3 382.340 0.919 20 50 GCGDHM O=C(NNC(=O)C1CCCC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738130088 945206844 /nfs/dbraw/zinc/20/68/44/945206844.db2.gz JERTUBNPFPHMNG-UHFFFAOYSA-N -1 3 399.459 0.751 20 50 GCGDHM O=C(NNC(=O)C1CCCC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738130088 945206851 /nfs/dbraw/zinc/20/68/51/945206851.db2.gz JERTUBNPFPHMNG-UHFFFAOYSA-N -1 3 399.459 0.751 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738130625 945211318 /nfs/dbraw/zinc/21/13/18/945211318.db2.gz UBNJSQFFLNSVSC-NXEZZACHSA-N -1 3 397.317 0.085 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738130625 945211324 /nfs/dbraw/zinc/21/13/24/945211324.db2.gz UBNJSQFFLNSVSC-NXEZZACHSA-N -1 3 397.317 0.085 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cnnc2)cc1 ZINC000738134640 945221543 /nfs/dbraw/zinc/22/15/43/945221543.db2.gz PRYZJBCIFGCAEC-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cnnc2)cc1 ZINC000738134640 945221547 /nfs/dbraw/zinc/22/15/47/945221547.db2.gz PRYZJBCIFGCAEC-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)N1CCN(CC(F)F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738135867 945229546 /nfs/dbraw/zinc/22/95/46/945229546.db2.gz CQQMDPGDHNJQCH-UHFFFAOYSA-N -1 3 380.359 0.104 20 50 GCGDHM O=C(NNC(=O)N1CCN(CC(F)F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738135867 945229555 /nfs/dbraw/zinc/22/95/55/945229555.db2.gz CQQMDPGDHNJQCH-UHFFFAOYSA-N -1 3 380.359 0.104 20 50 GCGDHM O=C(NNC(=O)c1cc2c([nH]c1=O)CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000738136334 945233014 /nfs/dbraw/zinc/23/30/14/945233014.db2.gz JTFKRDBRJHPUCK-UHFFFAOYSA-N -1 3 379.380 0.921 20 50 GCGDHM O=C(NNC(=O)c1cc2c([nH]c1=O)CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000738136334 945233019 /nfs/dbraw/zinc/23/30/19/945233019.db2.gz JTFKRDBRJHPUCK-UHFFFAOYSA-N -1 3 379.380 0.921 20 50 GCGDHM O=C(NNC(=O)N1CCC(Cn2cccn2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738137662 945246033 /nfs/dbraw/zinc/24/60/33/945246033.db2.gz XJBLWVZZOJPELJ-UHFFFAOYSA-N -1 3 395.427 0.830 20 50 GCGDHM O=C(NNC(=O)N1CCC(Cn2cccn2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738137662 945246041 /nfs/dbraw/zinc/24/60/41/945246041.db2.gz XJBLWVZZOJPELJ-UHFFFAOYSA-N -1 3 395.427 0.830 20 50 GCGDHM O=Cc1ccc(OCCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000738314711 945259806 /nfs/dbraw/zinc/25/98/06/945259806.db2.gz XNJKLZKELDIWMP-UHFFFAOYSA-N -1 3 380.364 0.909 20 50 GCGDHM O=Cc1ccc(OCCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738314711 945259813 /nfs/dbraw/zinc/25/98/13/945259813.db2.gz XNJKLZKELDIWMP-UHFFFAOYSA-N -1 3 380.364 0.909 20 50 GCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000819884584 945308526 /nfs/dbraw/zinc/30/85/26/945308526.db2.gz XHOCHHXIPSJTCK-NSHDSACASA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819884584 945308536 /nfs/dbraw/zinc/30/85/36/945308536.db2.gz XHOCHHXIPSJTCK-NSHDSACASA-N -1 3 386.412 0.997 20 50 GCGDHM CC(C)(C)C(=O)CSCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819892214 945310329 /nfs/dbraw/zinc/31/03/29/945310329.db2.gz ZHLILPZHUOHDHP-UHFFFAOYSA-N -1 3 376.442 0.976 20 50 GCGDHM CC(C)(C)C(=O)CSCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819892214 945310336 /nfs/dbraw/zinc/31/03/36/945310336.db2.gz ZHLILPZHUOHDHP-UHFFFAOYSA-N -1 3 376.442 0.976 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000819897795 945310844 /nfs/dbraw/zinc/31/08/44/945310844.db2.gz AASCFVUVORIIJK-UHFFFAOYSA-N -1 3 375.418 0.001 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000819897795 945310852 /nfs/dbraw/zinc/31/08/52/945310852.db2.gz AASCFVUVORIIJK-UHFFFAOYSA-N -1 3 375.418 0.001 20 50 GCGDHM CC(C)C[C@H](CCO)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820056796 945339468 /nfs/dbraw/zinc/33/94/68/945339468.db2.gz SHVPOFKDLXLKIE-LBPRGKRZSA-N -1 3 375.433 0.855 20 50 GCGDHM CC(C)C[C@H](CCO)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820056796 945339477 /nfs/dbraw/zinc/33/94/77/945339477.db2.gz SHVPOFKDLXLKIE-LBPRGKRZSA-N -1 3 375.433 0.855 20 50 GCGDHM CC(C)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)on1 ZINC000820187736 945368883 /nfs/dbraw/zinc/36/88/83/945368883.db2.gz OVQZQSBKMJRNED-UHFFFAOYSA-N -1 3 399.367 0.596 20 50 GCGDHM CC(C)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)on1 ZINC000820187736 945368892 /nfs/dbraw/zinc/36/88/92/945368892.db2.gz OVQZQSBKMJRNED-UHFFFAOYSA-N -1 3 399.367 0.596 20 50 GCGDHM C#CCOc1ccc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735380984 944643150 /nfs/dbraw/zinc/64/31/50/944643150.db2.gz QEITWWJKZAUJIF-UHFFFAOYSA-N -1 3 392.375 0.719 20 50 GCGDHM C=CCn1c(C)nnc1SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735442456 944650292 /nfs/dbraw/zinc/65/02/92/944650292.db2.gz BVUCLQALSYKWOF-UHFFFAOYSA-N -1 3 399.440 0.506 20 50 GCGDHM C=CCn1c(C)nnc1SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735442456 944650297 /nfs/dbraw/zinc/65/02/97/944650297.db2.gz BVUCLQALSYKWOF-UHFFFAOYSA-N -1 3 399.440 0.506 20 50 GCGDHM CC(=O)N[C@@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735474908 944664618 /nfs/dbraw/zinc/66/46/18/944664618.db2.gz MOQZUELIXYRAOD-INIZCTEOSA-N -1 3 393.407 0.895 20 50 GCGDHM CC(=O)N[C@@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735474908 944664628 /nfs/dbraw/zinc/66/46/28/944664628.db2.gz MOQZUELIXYRAOD-INIZCTEOSA-N -1 3 393.407 0.895 20 50 GCGDHM CC(=O)c1ccc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735495173 944667347 /nfs/dbraw/zinc/66/73/47/944667347.db2.gz CJLOTTBBGMUKHR-UHFFFAOYSA-N -1 3 380.364 0.909 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735590291 944676181 /nfs/dbraw/zinc/67/61/81/944676181.db2.gz XKBJUXOLTNGHAH-UHFFFAOYSA-N -1 3 386.460 0.771 20 50 GCGDHM CC(C)(C)S(=O)(=O)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735642985 944683714 /nfs/dbraw/zinc/68/37/14/944683714.db2.gz ITQNTUOLDZYCBW-UHFFFAOYSA-N -1 3 395.445 0.024 20 50 GCGDHM CC(C)(C)S(=O)(=O)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735642985 944683720 /nfs/dbraw/zinc/68/37/20/944683720.db2.gz ITQNTUOLDZYCBW-UHFFFAOYSA-N -1 3 395.445 0.024 20 50 GCGDHM CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735684591 944688420 /nfs/dbraw/zinc/68/84/20/944688420.db2.gz PCZPUCFPPVSOKC-AWEZNQCLSA-N -1 3 385.428 0.665 20 50 GCGDHM CC(C)C(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735684591 944688428 /nfs/dbraw/zinc/68/84/28/944688428.db2.gz PCZPUCFPPVSOKC-AWEZNQCLSA-N -1 3 385.428 0.665 20 50 GCGDHM CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735684592 944692586 /nfs/dbraw/zinc/69/25/86/944692586.db2.gz PCZPUCFPPVSOKC-CQSZACIVSA-N -1 3 385.428 0.665 20 50 GCGDHM CC(C)C(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735684592 944692593 /nfs/dbraw/zinc/69/25/93/944692593.db2.gz PCZPUCFPPVSOKC-CQSZACIVSA-N -1 3 385.428 0.665 20 50 GCGDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)c1cnn(C)c1 ZINC000735733561 944693770 /nfs/dbraw/zinc/69/37/70/944693770.db2.gz BKFHZVJQMUGMKI-AWEZNQCLSA-N -1 3 384.400 0.465 20 50 GCGDHM CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000735755255 944696999 /nfs/dbraw/zinc/69/69/99/944696999.db2.gz DLFXTEXYJSYVGC-MRVPVSSYSA-N -1 3 389.445 0.390 20 50 GCGDHM CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000735755255 944697007 /nfs/dbraw/zinc/69/70/07/944697007.db2.gz DLFXTEXYJSYVGC-MRVPVSSYSA-N -1 3 389.445 0.390 20 50 GCGDHM CC(C)CCC(=O)NNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000735795507 944702006 /nfs/dbraw/zinc/70/20/06/944702006.db2.gz NJCBAJVVBPXJKW-UHFFFAOYSA-N -1 3 387.448 0.561 20 50 GCGDHM CC(C)CCC(=O)NNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000735795507 944702009 /nfs/dbraw/zinc/70/20/09/944702009.db2.gz NJCBAJVVBPXJKW-UHFFFAOYSA-N -1 3 387.448 0.561 20 50 GCGDHM CC(C)NC(=O)C(=O)NNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735883061 944710076 /nfs/dbraw/zinc/71/00/76/944710076.db2.gz VTRUTSAJMYDNJB-UHFFFAOYSA-N -1 3 389.416 0.088 20 50 GCGDHM CC(C)NC(=O)C(=O)NNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735883061 944710081 /nfs/dbraw/zinc/71/00/81/944710081.db2.gz VTRUTSAJMYDNJB-UHFFFAOYSA-N -1 3 389.416 0.088 20 50 GCGDHM C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)NC(=O)c1ccccc1 ZINC000735976226 944730899 /nfs/dbraw/zinc/73/08/99/944730899.db2.gz PDRQRCRDLXRHOQ-LBPRGKRZSA-N -1 3 393.407 0.836 20 50 GCGDHM C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)NC(=O)c1ccccc1 ZINC000735976226 944730903 /nfs/dbraw/zinc/73/09/03/944730903.db2.gz PDRQRCRDLXRHOQ-LBPRGKRZSA-N -1 3 393.407 0.836 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736143985 944750054 /nfs/dbraw/zinc/75/00/54/944750054.db2.gz WJYNPTUEHMRWOT-INIZCTEOSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736143985 944750068 /nfs/dbraw/zinc/75/00/68/944750068.db2.gz WJYNPTUEHMRWOT-INIZCTEOSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C ZINC000736162210 944751964 /nfs/dbraw/zinc/75/19/64/944751964.db2.gz BKGZWOGKJKGMOH-YPMHNXCESA-N -1 3 394.457 0.126 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)COCc1ccccc1 ZINC000736185194 944755426 /nfs/dbraw/zinc/75/54/26/944755426.db2.gz TXNATUVDDFDRCK-CYBMUJFWSA-N -1 3 396.407 0.998 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)COCc1ccccc1 ZINC000736185194 944755432 /nfs/dbraw/zinc/75/54/32/944755432.db2.gz TXNATUVDDFDRCK-CYBMUJFWSA-N -1 3 396.407 0.998 20 50 GCGDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736223661 944767662 /nfs/dbraw/zinc/76/76/62/944767662.db2.gz JOIUFDHIZZXQTA-NFWWYOGNSA-N -1 3 377.430 0.062 20 50 GCGDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736223661 944767670 /nfs/dbraw/zinc/76/76/70/944767670.db2.gz JOIUFDHIZZXQTA-NFWWYOGNSA-N -1 3 377.430 0.062 20 50 GCGDHM C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CS2 ZINC000736232043 944770174 /nfs/dbraw/zinc/77/01/74/944770174.db2.gz ZRVLJIKHVXZAHY-MEDUHNTESA-N -1 3 387.425 0.082 20 50 GCGDHM C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CS2 ZINC000736232043 944770181 /nfs/dbraw/zinc/77/01/81/944770181.db2.gz ZRVLJIKHVXZAHY-MEDUHNTESA-N -1 3 387.425 0.082 20 50 GCGDHM C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CS2 ZINC000736232045 944771734 /nfs/dbraw/zinc/77/17/34/944771734.db2.gz ZRVLJIKHVXZAHY-ZBEGNZNMSA-N -1 3 387.425 0.082 20 50 GCGDHM C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CS2 ZINC000736232045 944771742 /nfs/dbraw/zinc/77/17/42/944771742.db2.gz ZRVLJIKHVXZAHY-ZBEGNZNMSA-N -1 3 387.425 0.082 20 50 GCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736303034 944791932 /nfs/dbraw/zinc/79/19/32/944791932.db2.gz JMXCCDFYBLASOU-GFCCVEGCSA-N -1 3 387.444 0.656 20 50 GCGDHM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736305688 944793325 /nfs/dbraw/zinc/79/33/25/944793325.db2.gz YVESWBWVWHFVAZ-BONVTDFDSA-N -1 3 380.364 0.856 20 50 GCGDHM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736305688 944793332 /nfs/dbraw/zinc/79/33/32/944793332.db2.gz YVESWBWVWHFVAZ-BONVTDFDSA-N -1 3 380.364 0.856 20 50 GCGDHM CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736304144 944793415 /nfs/dbraw/zinc/79/34/15/944793415.db2.gz NSYIMTCBQCGWCE-GFCCVEGCSA-N -1 3 391.457 0.276 20 50 GCGDHM CCC(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736304144 944793424 /nfs/dbraw/zinc/79/34/24/944793424.db2.gz NSYIMTCBQCGWCE-GFCCVEGCSA-N -1 3 391.457 0.276 20 50 GCGDHM CCC(=O)NNC(=O)[C@H](C)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736305296 944795367 /nfs/dbraw/zinc/79/53/67/944795367.db2.gz UBUGYHBVPGQVCP-LBPRGKRZSA-N -1 3 387.444 0.656 20 50 GCGDHM CCC(=O)NNC(=O)[C@H](C)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736305296 944795372 /nfs/dbraw/zinc/79/53/72/944795372.db2.gz UBUGYHBVPGQVCP-LBPRGKRZSA-N -1 3 387.444 0.656 20 50 GCGDHM CCC(CC)N1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736345935 944803915 /nfs/dbraw/zinc/80/39/15/944803915.db2.gz OYIKRFVUSFKRGM-ZDUSSCGKSA-N -1 3 385.428 0.665 20 50 GCGDHM CCC(CC)N1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736345935 944803921 /nfs/dbraw/zinc/80/39/21/944803921.db2.gz OYIKRFVUSFKRGM-ZDUSSCGKSA-N -1 3 385.428 0.665 20 50 GCGDHM CCCn1nccc1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736502624 944835668 /nfs/dbraw/zinc/83/56/68/944835668.db2.gz OVOGTRCYNAMCOX-UHFFFAOYSA-N -1 3 385.388 0.705 20 50 GCGDHM CCCn1nccc1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736502624 944835674 /nfs/dbraw/zinc/83/56/74/944835674.db2.gz OVOGTRCYNAMCOX-UHFFFAOYSA-N -1 3 385.388 0.705 20 50 GCGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000736510672 944839079 /nfs/dbraw/zinc/83/90/79/944839079.db2.gz FJMRQMXZLGVNFH-UHFFFAOYSA-N -1 3 389.416 0.885 20 50 GCGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000736510672 944839084 /nfs/dbraw/zinc/83/90/84/944839084.db2.gz FJMRQMXZLGVNFH-UHFFFAOYSA-N -1 3 389.416 0.885 20 50 GCGDHM CCN1CCO[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736568286 944844186 /nfs/dbraw/zinc/84/41/86/944844186.db2.gz KRAUVBDDCLYMOI-LULHVWEPSA-N -1 3 384.444 0.258 20 50 GCGDHM CN(C)C(=O)C1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736744882 944882104 /nfs/dbraw/zinc/88/21/04/944882104.db2.gz CYPNPRWSVKJNRT-UHFFFAOYSA-N -1 3 386.416 0.021 20 50 GCGDHM CN(C)C(=O)C1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736744882 944882110 /nfs/dbraw/zinc/88/21/10/944882110.db2.gz CYPNPRWSVKJNRT-UHFFFAOYSA-N -1 3 386.416 0.021 20 50 GCGDHM CNC(=O)c1cncc(C=CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736881209 944905053 /nfs/dbraw/zinc/90/50/53/944905053.db2.gz BEWNIKVTMVADRE-UQCOIBPSSA-N -1 3 392.379 0.096 20 50 GCGDHM CNC(=O)c1cncc(C=CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736881209 944905057 /nfs/dbraw/zinc/90/50/57/944905057.db2.gz BEWNIKVTMVADRE-UQCOIBPSSA-N -1 3 392.379 0.096 20 50 GCGDHM COC(=O)Cn1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000736932392 944911447 /nfs/dbraw/zinc/91/14/47/944911447.db2.gz LNAJINSRSNEIHJ-WUXMJOGZSA-N -1 3 395.383 0.429 20 50 GCGDHM COC(=O)N1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736935664 944913962 /nfs/dbraw/zinc/91/39/62/944913962.db2.gz KALPTNWNVYZPIT-LBPRGKRZSA-N -1 3 388.388 0.042 20 50 GCGDHM COC(=O)N1CCC[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736935664 944913966 /nfs/dbraw/zinc/91/39/66/944913966.db2.gz KALPTNWNVYZPIT-LBPRGKRZSA-N -1 3 388.388 0.042 20 50 GCGDHM COCCOC1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737007292 944932138 /nfs/dbraw/zinc/93/21/38/944932138.db2.gz YYTKQQZEXSIYMD-UHFFFAOYSA-N -1 3 389.416 0.349 20 50 GCGDHM COCCOC1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737007292 944932148 /nfs/dbraw/zinc/93/21/48/944932148.db2.gz YYTKQQZEXSIYMD-UHFFFAOYSA-N -1 3 389.416 0.349 20 50 GCGDHM COCCn1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000737016199 944932565 /nfs/dbraw/zinc/93/25/65/944932565.db2.gz KOMNUEMCECUWLD-MDWZMJQESA-N -1 3 381.400 0.902 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000737068782 944942611 /nfs/dbraw/zinc/94/26/11/944942611.db2.gz UOMPYOBEEMKPHM-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000737068782 944942615 /nfs/dbraw/zinc/94/26/15/944942615.db2.gz UOMPYOBEEMKPHM-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1OCCO ZINC000737071680 944943639 /nfs/dbraw/zinc/94/36/39/944943639.db2.gz LPAXFZLIQNELEF-UHFFFAOYSA-N -1 3 398.379 0.321 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1OCCO ZINC000737071680 944943646 /nfs/dbraw/zinc/94/36/46/944943646.db2.gz LPAXFZLIQNELEF-UHFFFAOYSA-N -1 3 398.379 0.321 20 50 GCGDHM COc1ccc([C@@H](O)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737076881 944948508 /nfs/dbraw/zinc/94/85/08/944948508.db2.gz SNIONAXDPLIPIL-HNNXBMFYSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1ccc([C@@H](O)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737076881 944948516 /nfs/dbraw/zinc/94/85/16/944948516.db2.gz SNIONAXDPLIPIL-HNNXBMFYSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1ccccc1[C@H](O)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737147618 944970185 /nfs/dbraw/zinc/97/01/85/944970185.db2.gz NHLWJYIILQMJJM-CQSZACIVSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1ccccc1[C@H](O)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737147618 944970193 /nfs/dbraw/zinc/97/01/93/944970193.db2.gz NHLWJYIILQMJJM-CQSZACIVSA-N -1 3 397.395 0.553 20 50 GCGDHM CS(=O)(=O)c1ccccc1NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737175021 944976729 /nfs/dbraw/zinc/97/67/29/944976729.db2.gz ZLHFCSDWZFVFGK-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM CS(=O)(=O)c1ccccc1NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737175021 944976733 /nfs/dbraw/zinc/97/67/33/944976733.db2.gz ZLHFCSDWZFVFGK-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(-c2nnn[n-]2)n1C ZINC000737212773 944995129 /nfs/dbraw/zinc/99/51/29/944995129.db2.gz MNWXCZDWWBLGIU-ACQAZONXSA-N -1 3 391.439 0.619 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(-c2nn[n-]n2)n1C ZINC000737212773 944995132 /nfs/dbraw/zinc/99/51/32/944995132.db2.gz MNWXCZDWWBLGIU-ACQAZONXSA-N -1 3 391.439 0.619 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000737212649 944995146 /nfs/dbraw/zinc/99/51/46/944995146.db2.gz LUPPHXPSGYTPHZ-BRRGFWCPSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212649 944995149 /nfs/dbraw/zinc/99/51/49/944995149.db2.gz LUPPHXPSGYTPHZ-BRRGFWCPSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCN2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000737212752 944995186 /nfs/dbraw/zinc/99/51/86/944995186.db2.gz MCMFYTSVAHYYAT-GDNBJRDFSA-N -1 3 384.444 0.211 20 50 GCGDHM Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737225684 945014902 /nfs/dbraw/zinc/01/49/02/945014902.db2.gz GNJVKEQXZJWXOW-UHFFFAOYSA-N -1 3 389.379 0.831 20 50 GCGDHM Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737225684 945014909 /nfs/dbraw/zinc/01/49/09/945014909.db2.gz GNJVKEQXZJWXOW-UHFFFAOYSA-N -1 3 389.379 0.831 20 50 GCGDHM Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737245363 945020508 /nfs/dbraw/zinc/02/05/08/945020508.db2.gz NWEXPUCRHHYHCD-UHFFFAOYSA-N -1 3 380.368 0.741 20 50 GCGDHM Cc1cc(C(N)=O)ccc1NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737245363 945020519 /nfs/dbraw/zinc/02/05/19/945020519.db2.gz NWEXPUCRHHYHCD-UHFFFAOYSA-N -1 3 380.368 0.741 20 50 GCGDHM Cc1ccc2nc(CNC(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)cn2c1 ZINC000737374609 945050340 /nfs/dbraw/zinc/05/03/40/945050340.db2.gz PIWARTIZHHAKFG-UHFFFAOYSA-N -1 3 391.395 0.967 20 50 GCGDHM Cc1ccc2nc(CNC(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)cn2c1 ZINC000737374609 945050350 /nfs/dbraw/zinc/05/03/50/945050350.db2.gz PIWARTIZHHAKFG-UHFFFAOYSA-N -1 3 391.395 0.967 20 50 GCGDHM Cc1cccc2nc(CNC(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)cn21 ZINC000737418274 945061381 /nfs/dbraw/zinc/06/13/81/945061381.db2.gz OLVXPLOAGOUTBS-UHFFFAOYSA-N -1 3 391.395 0.967 20 50 GCGDHM Cc1cccc2nc(CNC(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)cn21 ZINC000737418274 945061390 /nfs/dbraw/zinc/06/13/90/945061390.db2.gz OLVXPLOAGOUTBS-UHFFFAOYSA-N -1 3 391.395 0.967 20 50 GCGDHM CC(C)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n[nH]1 ZINC000820187684 945369505 /nfs/dbraw/zinc/36/95/05/945369505.db2.gz MLUQXVMGYDRACB-UHFFFAOYSA-N -1 3 398.383 0.331 20 50 GCGDHM CC(C)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC000820187684 945369517 /nfs/dbraw/zinc/36/95/17/945369517.db2.gz MLUQXVMGYDRACB-UHFFFAOYSA-N -1 3 398.383 0.331 20 50 GCGDHM C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)NC(=O)OC(C)(C)C ZINC000820225102 945387793 /nfs/dbraw/zinc/38/77/93/945387793.db2.gz AQTYFBIDQHKRNT-JTQLQIEISA-N -1 3 389.416 0.931 20 50 GCGDHM C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)NC(=O)OC(C)(C)C ZINC000820225102 945387809 /nfs/dbraw/zinc/38/78/09/945387809.db2.gz AQTYFBIDQHKRNT-JTQLQIEISA-N -1 3 389.416 0.931 20 50 GCGDHM C[C@H](CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)n1cccc1 ZINC000820225458 945389072 /nfs/dbraw/zinc/38/90/72/945389072.db2.gz JIJVMMYEKZFGCX-GFCCVEGCSA-N -1 3 397.395 0.624 20 50 GCGDHM C[C@H](CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)n1cccc1 ZINC000820225458 945389080 /nfs/dbraw/zinc/38/90/80/945389080.db2.gz JIJVMMYEKZFGCX-GFCCVEGCSA-N -1 3 397.395 0.624 20 50 GCGDHM C[C@@H](CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)n1cccc1 ZINC000820225459 945390436 /nfs/dbraw/zinc/39/04/36/945390436.db2.gz JIJVMMYEKZFGCX-LBPRGKRZSA-N -1 3 397.395 0.624 20 50 GCGDHM C[C@@H](CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)n1cccc1 ZINC000820225459 945390445 /nfs/dbraw/zinc/39/04/45/945390445.db2.gz JIJVMMYEKZFGCX-LBPRGKRZSA-N -1 3 397.395 0.624 20 50 GCGDHM C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820234269 945392897 /nfs/dbraw/zinc/39/28/97/945392897.db2.gz NAIQSSDVVKQVTN-NEPJUHHUSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820286624 945405778 /nfs/dbraw/zinc/40/57/78/945405778.db2.gz DDSZNLKTWRAPCK-GWCFXTLKSA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820286624 945405786 /nfs/dbraw/zinc/40/57/86/945405786.db2.gz DDSZNLKTWRAPCK-GWCFXTLKSA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374261 945437120 /nfs/dbraw/zinc/43/71/20/945437120.db2.gz NNVSZFQWQRRDHW-ZUZCIYMTSA-N -1 3 379.446 0.309 20 50 GCGDHM C[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374261 945437126 /nfs/dbraw/zinc/43/71/26/945437126.db2.gz NNVSZFQWQRRDHW-ZUZCIYMTSA-N -1 3 379.446 0.309 20 50 GCGDHM C[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374257 945437169 /nfs/dbraw/zinc/43/71/69/945437169.db2.gz NNVSZFQWQRRDHW-BONVTDFDSA-N -1 3 379.446 0.309 20 50 GCGDHM C[C@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374257 945437175 /nfs/dbraw/zinc/43/71/75/945437175.db2.gz NNVSZFQWQRRDHW-BONVTDFDSA-N -1 3 379.446 0.309 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1nnc2n1CCCC2 ZINC000820375063 945442111 /nfs/dbraw/zinc/44/21/11/945442111.db2.gz XFKPQLZPNJPLEX-SNVBAGLBSA-N -1 3 396.415 0.500 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1nnc2n1CCCC2 ZINC000820375063 945442117 /nfs/dbraw/zinc/44/21/17/945442117.db2.gz XFKPQLZPNJPLEX-SNVBAGLBSA-N -1 3 396.415 0.500 20 50 GCGDHM C[C@@]1(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCS1 ZINC000820618417 945499243 /nfs/dbraw/zinc/49/92/43/945499243.db2.gz DBYOOXZGNVWWFH-INIZCTEOSA-N -1 3 391.457 0.862 20 50 GCGDHM CC1(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCOCC1 ZINC000820618393 945499278 /nfs/dbraw/zinc/49/92/78/945499278.db2.gz CARIXMBVVXRDSC-UHFFFAOYSA-N -1 3 389.416 0.393 20 50 GCGDHM CC1(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCOCC1 ZINC000820618393 945499284 /nfs/dbraw/zinc/49/92/84/945499284.db2.gz CARIXMBVVXRDSC-UHFFFAOYSA-N -1 3 389.416 0.393 20 50 GCGDHM CC1(O)CCC(NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820622995 945500738 /nfs/dbraw/zinc/50/07/38/945500738.db2.gz AYSIWOJBTYLXBW-UHFFFAOYSA-N -1 3 389.416 0.270 20 50 GCGDHM CC1CC(C#N)(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820641454 945504170 /nfs/dbraw/zinc/50/41/70/945504170.db2.gz COWWTULMGHIWOD-UHFFFAOYSA-N -1 3 383.368 0.111 20 50 GCGDHM CC1CC(C#N)(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820641454 945504178 /nfs/dbraw/zinc/50/41/78/945504178.db2.gz COWWTULMGHIWOD-UHFFFAOYSA-N -1 3 383.368 0.111 20 50 GCGDHM C[C@@H]1C[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820659139 945515089 /nfs/dbraw/zinc/51/50/89/945515089.db2.gz WRBAQYCXTPUWBV-QMTHXVAHSA-N -1 3 396.415 0.420 20 50 GCGDHM C[C@@H]1C[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820659139 945515094 /nfs/dbraw/zinc/51/50/94/945515094.db2.gz WRBAQYCXTPUWBV-QMTHXVAHSA-N -1 3 396.415 0.420 20 50 GCGDHM C[C@H]1CC[C@@H](CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820683386 945523632 /nfs/dbraw/zinc/52/36/32/945523632.db2.gz AJJOJQRYVCOANL-NWDGAFQWSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CC[C@@H](CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820683386 945523637 /nfs/dbraw/zinc/52/36/37/945523637.db2.gz AJJOJQRYVCOANL-NWDGAFQWSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](C(F)(F)F)O1 ZINC000820744362 945545916 /nfs/dbraw/zinc/54/59/16/945545916.db2.gz YFUNYXPXDBEXDE-LDYMZIIASA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](C(F)(F)F)O1 ZINC000820744362 945545924 /nfs/dbraw/zinc/54/59/24/945545924.db2.gz YFUNYXPXDBEXDE-LDYMZIIASA-N -1 3 399.333 0.873 20 50 GCGDHM CCC(=O)N1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000820837417 945565949 /nfs/dbraw/zinc/56/59/49/945565949.db2.gz ISMMJUXIVOISFB-SVSAJMPUSA-N -1 3 382.428 0.548 20 50 GCGDHM CCC(=O)N1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000820837417 945565953 /nfs/dbraw/zinc/56/59/53/945565953.db2.gz ISMMJUXIVOISFB-SVSAJMPUSA-N -1 3 382.428 0.548 20 50 GCGDHM CC[C@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820971911 945600723 /nfs/dbraw/zinc/60/07/23/945600723.db2.gz HXNTYDLUJBQILK-STQMWFEESA-N -1 3 388.384 0.129 20 50 GCGDHM CC[C@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820971911 945600730 /nfs/dbraw/zinc/60/07/30/945600730.db2.gz HXNTYDLUJBQILK-STQMWFEESA-N -1 3 388.384 0.129 20 50 GCGDHM CCCc1nnc(SCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821142003 945640446 /nfs/dbraw/zinc/64/04/46/945640446.db2.gz BFVTZMGPAMWBRT-UHFFFAOYSA-N -1 3 388.413 0.756 20 50 GCGDHM CCCc1nnc(SCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821142003 945640452 /nfs/dbraw/zinc/64/04/52/945640452.db2.gz BFVTZMGPAMWBRT-UHFFFAOYSA-N -1 3 388.413 0.756 20 50 GCGDHM CCO[C@H](CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821351503 945679133 /nfs/dbraw/zinc/67/91/33/945679133.db2.gz RPVNBIXLRKIJIL-CQSZACIVSA-N -1 3 376.417 0.844 20 50 GCGDHM CCc1nnc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1C ZINC000821516769 945713080 /nfs/dbraw/zinc/71/30/80/945713080.db2.gz BVHWYIGQGDUSFJ-WUXMJOGZSA-N -1 3 381.400 0.855 20 50 GCGDHM CCc1nnc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1C ZINC000821516769 945713084 /nfs/dbraw/zinc/71/30/84/945713084.db2.gz BVHWYIGQGDUSFJ-WUXMJOGZSA-N -1 3 381.400 0.855 20 50 GCGDHM CCc1ocnc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821564150 945717199 /nfs/dbraw/zinc/71/71/99/945717199.db2.gz VIYGZUXLZKTNGG-UHFFFAOYSA-N -1 3 385.340 0.035 20 50 GCGDHM CCc1ocnc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821564150 945717204 /nfs/dbraw/zinc/71/72/04/945717204.db2.gz VIYGZUXLZKTNGG-UHFFFAOYSA-N -1 3 385.340 0.035 20 50 GCGDHM CN(C)C(=O)[C@@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821574594 945721439 /nfs/dbraw/zinc/72/14/39/945721439.db2.gz NQANFECWESJWHZ-KRWDZBQOSA-N -1 3 395.423 0.696 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(C#N)c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821593819 945732576 /nfs/dbraw/zinc/73/25/76/945732576.db2.gz LKDHXNJSJWVGNJ-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000821594024 945733252 /nfs/dbraw/zinc/73/32/52/945733252.db2.gz VINZZZQPKQNWOR-UHFFFAOYSA-N -1 3 383.387 0.899 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000821594024 945733256 /nfs/dbraw/zinc/73/32/56/945733256.db2.gz VINZZZQPKQNWOR-UHFFFAOYSA-N -1 3 383.387 0.899 20 50 GCGDHM CN(CCc1ccccc1)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821605226 945739821 /nfs/dbraw/zinc/73/98/21/945739821.db2.gz ZZIVDGICNFGJBB-UHFFFAOYSA-N -1 3 379.424 0.802 20 50 GCGDHM CN(CCc1ccc(F)cc1)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821605192 945741212 /nfs/dbraw/zinc/74/12/12/945741212.db2.gz YYRALYTUCZCGLP-UHFFFAOYSA-N -1 3 397.414 0.941 20 50 GCGDHM CN(CCc1cccs1)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821607581 945742485 /nfs/dbraw/zinc/74/24/85/945742485.db2.gz VCBGVNBKSFPLME-UHFFFAOYSA-N -1 3 385.453 0.864 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644531 945768096 /nfs/dbraw/zinc/76/80/96/945768096.db2.gz BWWVJCRQRFAVPH-CVEARBPZSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644531 945768101 /nfs/dbraw/zinc/76/81/01/945768101.db2.gz BWWVJCRQRFAVPH-CVEARBPZSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@H](NNC(=O)COCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644914 945770660 /nfs/dbraw/zinc/77/06/60/945770660.db2.gz MJRHKQWWGIDKDP-QGZVFWFLSA-N -1 3 396.407 0.918 20 50 GCGDHM COC(=O)[C@H](NNC(=O)COCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644914 945770665 /nfs/dbraw/zinc/77/06/65/945770665.db2.gz MJRHKQWWGIDKDP-QGZVFWFLSA-N -1 3 396.407 0.918 20 50 GCGDHM COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821667016 945788412 /nfs/dbraw/zinc/78/84/12/945788412.db2.gz QEUXSLOHXMSNMC-UHFFFAOYSA-N -1 3 383.368 0.673 20 50 GCGDHM COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821667016 945788421 /nfs/dbraw/zinc/78/84/21/945788421.db2.gz QEUXSLOHXMSNMC-UHFFFAOYSA-N -1 3 383.368 0.673 20 50 GCGDHM COCCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821687701 945812953 /nfs/dbraw/zinc/81/29/53/945812953.db2.gz KPFDTKAHRJWCFQ-AUWJEWJLSA-N -1 3 385.428 0.685 20 50 GCGDHM COCCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821687701 945812965 /nfs/dbraw/zinc/81/29/65/945812965.db2.gz KPFDTKAHRJWCFQ-AUWJEWJLSA-N -1 3 385.428 0.685 20 50 GCGDHM COCCOC[C@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821692165 945823281 /nfs/dbraw/zinc/82/32/81/945823281.db2.gz PUPDMSOOUUJTED-BRSWLGOBSA-N -1 3 399.455 0.932 20 50 GCGDHM COCCOC[C@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821692165 945823290 /nfs/dbraw/zinc/82/32/90/945823290.db2.gz PUPDMSOOUUJTED-BRSWLGOBSA-N -1 3 399.455 0.932 20 50 GCGDHM COc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821772737 945859146 /nfs/dbraw/zinc/85/91/46/945859146.db2.gz NNFVBOXGDWHUGB-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821772737 945859166 /nfs/dbraw/zinc/85/91/66/945859166.db2.gz NNFVBOXGDWHUGB-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM CS(=O)(=O)NCCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821937888 945906226 /nfs/dbraw/zinc/90/62/26/945906226.db2.gz RYFYDAHAKBGSBD-UHFFFAOYSA-N -1 3 393.351 0.268 20 50 GCGDHM CS(=O)(=O)NCCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821937888 945906235 /nfs/dbraw/zinc/90/62/35/945906235.db2.gz RYFYDAHAKBGSBD-UHFFFAOYSA-N -1 3 393.351 0.268 20 50 GCGDHM CS[C@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000821949023 945909405 /nfs/dbraw/zinc/90/94/05/945909405.db2.gz FFGQPUZCJNRHDJ-MNOVXSKESA-N -1 3 391.457 0.860 20 50 GCGDHM CS[C@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000821949023 945909407 /nfs/dbraw/zinc/90/94/07/945909407.db2.gz FFGQPUZCJNRHDJ-MNOVXSKESA-N -1 3 391.457 0.860 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CO[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822027439 945934562 /nfs/dbraw/zinc/93/45/62/945934562.db2.gz HDCBUXNMJGWLPG-HDAWXUJISA-N -1 3 385.428 0.731 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CO[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822027439 945934572 /nfs/dbraw/zinc/93/45/72/945934572.db2.gz HDCBUXNMJGWLPG-HDAWXUJISA-N -1 3 385.428 0.731 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cccnc2)cc(-c2nn[n-]n2)n1C ZINC000822028178 945938951 /nfs/dbraw/zinc/93/89/51/945938951.db2.gz LZZCHRGXSKVINK-CQMBDMNQSA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cccnc2)cc(-c2nn[n-]n2)n1C ZINC000822028181 945939555 /nfs/dbraw/zinc/93/95/55/945939555.db2.gz LZZCHRGXSKVINK-VCXBKZMZSA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(OCCCO)CC2)cc(-c2nnn[n-]2)n1C ZINC000822028378 945941200 /nfs/dbraw/zinc/94/12/00/945941200.db2.gz NSSUTEHIGDWCJG-GDNBJRDFSA-N -1 3 399.455 0.811 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(OCCCO)CC2)cc(-c2nn[n-]n2)n1C ZINC000822028378 945941205 /nfs/dbraw/zinc/94/12/05/945941205.db2.gz NSSUTEHIGDWCJG-GDNBJRDFSA-N -1 3 399.455 0.811 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](OCCO)C2)cc(-c2nnn[n-]2)n1C ZINC000822028224 945942243 /nfs/dbraw/zinc/94/22/43/945942243.db2.gz MIUCPQSWVYETIR-UJMHRVFCSA-N -1 3 385.428 0.421 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](OCCO)C2)cc(-c2nn[n-]n2)n1C ZINC000822028224 945942254 /nfs/dbraw/zinc/94/22/54/945942254.db2.gz MIUCPQSWVYETIR-UJMHRVFCSA-N -1 3 385.428 0.421 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](C)[S@@](C)=O)cc(-c2nnn[n-]2)n1C ZINC000822028535 945944685 /nfs/dbraw/zinc/94/46/85/945944685.db2.gz PFYROEYWOWYOHC-QRTGZMOESA-N -1 3 375.458 0.694 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](C)[S@@](C)=O)cc(-c2nn[n-]n2)n1C ZINC000822028535 945944694 /nfs/dbraw/zinc/94/46/94/945944694.db2.gz PFYROEYWOWYOHC-QRTGZMOESA-N -1 3 375.458 0.694 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C3CC3)C(=O)C2)cc(-c2nnn[n-]2)n1C ZINC000822028786 945945796 /nfs/dbraw/zinc/94/57/96/945945796.db2.gz SEHOVTJKRLFNBP-QPEQYQDCSA-N -1 3 380.412 0.254 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C3CC3)C(=O)C2)cc(-c2nn[n-]n2)n1C ZINC000822028786 945945803 /nfs/dbraw/zinc/94/58/03/945945803.db2.gz SEHOVTJKRLFNBP-QPEQYQDCSA-N -1 3 380.412 0.254 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)COCC2CC2)cc(-c2nnn[n-]2)n1C ZINC000822028633 945945847 /nfs/dbraw/zinc/94/58/47/945945847.db2.gz REWNRHMZMMDEFX-AGKVCYSUSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)COCC2CC2)cc(-c2nn[n-]n2)n1C ZINC000822028633 945945854 /nfs/dbraw/zinc/94/58/54/945945854.db2.gz REWNRHMZMMDEFX-AGKVCYSUSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000822029102 945951333 /nfs/dbraw/zinc/95/13/33/945951333.db2.gz VSADWAJQNGMKBH-XLVZXTRVSA-N -1 3 382.384 0.084 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000822029102 945951336 /nfs/dbraw/zinc/95/13/36/945951336.db2.gz VSADWAJQNGMKBH-XLVZXTRVSA-N -1 3 382.384 0.084 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000822029103 945951993 /nfs/dbraw/zinc/95/19/93/945951993.db2.gz VSADWAJQNGMKBH-YFTXEMMHSA-N -1 3 382.384 0.084 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000822029103 945952001 /nfs/dbraw/zinc/95/20/01/945952001.db2.gz VSADWAJQNGMKBH-YFTXEMMHSA-N -1 3 382.384 0.084 20 50 GCGDHM Cc1cc([C@@](C)(O)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)o1 ZINC000822191333 945974214 /nfs/dbraw/zinc/97/42/14/945974214.db2.gz IRPXKOFJVTWWSS-SFHVURJKSA-N -1 3 399.411 0.928 20 50 GCGDHM Cc1cc([C@@](C)(O)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC000822191333 945974226 /nfs/dbraw/zinc/97/42/26/945974226.db2.gz IRPXKOFJVTWWSS-SFHVURJKSA-N -1 3 399.411 0.928 20 50 GCGDHM Cc1cc(N)ccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822206141 945990000 /nfs/dbraw/zinc/99/00/00/945990000.db2.gz VQWLODDTXGRRFC-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1cc(N)ccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822206141 945990008 /nfs/dbraw/zinc/99/00/08/945990008.db2.gz VQWLODDTXGRRFC-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822235047 946019854 /nfs/dbraw/zinc/01/98/54/946019854.db2.gz PPYVZPCMTWFVPI-UHFFFAOYSA-N -1 3 395.379 0.117 20 50 GCGDHM Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822235047 946019866 /nfs/dbraw/zinc/01/98/66/946019866.db2.gz PPYVZPCMTWFVPI-UHFFFAOYSA-N -1 3 395.379 0.117 20 50 GCGDHM Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822235092 946021442 /nfs/dbraw/zinc/02/14/42/946021442.db2.gz RVRWHPCNZFFBMU-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822235092 946021451 /nfs/dbraw/zinc/02/14/51/946021451.db2.gz RVRWHPCNZFFBMU-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1ccc(F)cc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822241019 946027305 /nfs/dbraw/zinc/02/73/05/946027305.db2.gz IYEXFNFKXNBFBU-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(F)cc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822241019 946027317 /nfs/dbraw/zinc/02/73/17/946027317.db2.gz IYEXFNFKXNBFBU-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1C ZINC000822242154 946030581 /nfs/dbraw/zinc/03/05/81/946030581.db2.gz BTTAHKUOERYARJ-UHFFFAOYSA-N -1 3 382.384 0.222 20 50 GCGDHM Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1C ZINC000822242154 946030594 /nfs/dbraw/zinc/03/05/94/946030594.db2.gz BTTAHKUOERYARJ-UHFFFAOYSA-N -1 3 382.384 0.222 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822284048 946041950 /nfs/dbraw/zinc/04/19/50/946041950.db2.gz HLWYQNQGLSZPMV-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822284048 946041962 /nfs/dbraw/zinc/04/19/62/946041962.db2.gz HLWYQNQGLSZPMV-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1cccc([C@@H](O)CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822288665 946045780 /nfs/dbraw/zinc/04/57/80/946045780.db2.gz FUDVWIJVJSKWBT-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1cccc([C@@H](O)CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822288665 946045792 /nfs/dbraw/zinc/04/57/92/946045792.db2.gz FUDVWIJVJSKWBT-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822288761 946046965 /nfs/dbraw/zinc/04/69/65/946046965.db2.gz ISDLSSWMTKQHHW-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822288761 946046978 /nfs/dbraw/zinc/04/69/78/946046978.db2.gz ISDLSSWMTKQHHW-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822346009 946060467 /nfs/dbraw/zinc/06/04/67/946060467.db2.gz ZKWZIIQGLMUWFK-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822346009 946060486 /nfs/dbraw/zinc/06/04/86/946060486.db2.gz ZKWZIIQGLMUWFK-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822356642 946066133 /nfs/dbraw/zinc/06/61/33/946066133.db2.gz XETGXRABSGAWKJ-UHFFFAOYSA-N -1 3 395.427 0.555 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822356642 946066146 /nfs/dbraw/zinc/06/61/46/946066146.db2.gz XETGXRABSGAWKJ-UHFFFAOYSA-N -1 3 395.427 0.555 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822356114 946068386 /nfs/dbraw/zinc/06/83/86/946068386.db2.gz JTDNKRLMUGRQMR-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822356114 946068396 /nfs/dbraw/zinc/06/83/96/946068396.db2.gz JTDNKRLMUGRQMR-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1cncc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822400071 946078489 /nfs/dbraw/zinc/07/84/89/946078489.db2.gz VSXYQSUGCLHOSK-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1cncc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822400071 946078501 /nfs/dbraw/zinc/07/85/01/946078501.db2.gz VSXYQSUGCLHOSK-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000822463010 946098687 /nfs/dbraw/zinc/09/86/87/946098687.db2.gz MJYRFSHJOACPQS-GUNGLEHYSA-N -1 3 392.427 0.972 20 50 GCGDHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000822463010 946098700 /nfs/dbraw/zinc/09/87/00/946098700.db2.gz MJYRFSHJOACPQS-GUNGLEHYSA-N -1 3 392.427 0.972 20 50 GCGDHM Cn1ccc(N2CCC[C@@H](NC(=O)NNc3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000822690184 946158112 /nfs/dbraw/zinc/15/81/12/946158112.db2.gz VCHSHVJRMKTKIU-CYBMUJFWSA-N -1 3 396.415 0.422 20 50 GCGDHM Cn1ccc(N2CCC[C@@H](NC(=O)NNc3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000822690184 946158118 /nfs/dbraw/zinc/15/81/18/946158118.db2.gz VCHSHVJRMKTKIU-CYBMUJFWSA-N -1 3 396.415 0.422 20 50 GCGDHM Cn1ccnc(NNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000822693896 946160332 /nfs/dbraw/zinc/16/03/32/946160332.db2.gz NKKRAFGWJLBICG-ZDUSSCGKSA-N -1 3 381.400 0.073 20 50 GCGDHM N#CC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000822801073 946190069 /nfs/dbraw/zinc/19/00/69/946190069.db2.gz DMZSWEFYDQMPHQ-UHFFFAOYSA-N -1 3 397.395 0.645 20 50 GCGDHM N#CC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000822801073 946190073 /nfs/dbraw/zinc/19/00/73/946190073.db2.gz DMZSWEFYDQMPHQ-UHFFFAOYSA-N -1 3 397.395 0.645 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822823655 946197311 /nfs/dbraw/zinc/19/73/11/946197311.db2.gz WTTZLEKRTQVUNA-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822823655 946197321 /nfs/dbraw/zinc/19/73/21/946197321.db2.gz WTTZLEKRTQVUNA-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM NC(=O)CSCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822869031 946207219 /nfs/dbraw/zinc/20/72/19/946207219.db2.gz MAYGKEDVEPRFSR-UHFFFAOYSA-N -1 3 375.336 0.547 20 50 GCGDHM NC(=O)CSCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822869031 946207226 /nfs/dbraw/zinc/20/72/26/946207226.db2.gz MAYGKEDVEPRFSR-UHFFFAOYSA-N -1 3 375.336 0.547 20 50 GCGDHM NC(=O)COc1ccc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000822869504 946207499 /nfs/dbraw/zinc/20/74/99/946207499.db2.gz YCKVIEYYSDWMQC-UHFFFAOYSA-N -1 3 395.379 0.260 20 50 GCGDHM NC(=O)COc1ccc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000822869504 946207509 /nfs/dbraw/zinc/20/75/09/946207509.db2.gz YCKVIEYYSDWMQC-UHFFFAOYSA-N -1 3 395.379 0.260 20 50 GCGDHM Nc1c(F)cccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822904304 946216015 /nfs/dbraw/zinc/21/60/15/946216015.db2.gz VLXQFQIPDQYMPO-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM Nc1c(F)cccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822904304 946216026 /nfs/dbraw/zinc/21/60/26/946216026.db2.gz VLXQFQIPDQYMPO-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM O=C(CN1CC[C@H]1Cc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822993919 946254567 /nfs/dbraw/zinc/25/45/67/946254567.db2.gz ZBMFHYMHHLWXLX-KRWDZBQOSA-N -1 3 391.435 0.945 20 50 GCGDHM O=C(CN1CC[C@H]1Cc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822993919 946254578 /nfs/dbraw/zinc/25/45/78/946254578.db2.gz ZBMFHYMHHLWXLX-KRWDZBQOSA-N -1 3 391.435 0.945 20 50 GCGDHM O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822996780 946256254 /nfs/dbraw/zinc/25/62/54/946256254.db2.gz JCBFVXCIUGLASM-BEFAXECRSA-N -1 3 399.455 0.255 20 50 GCGDHM O=C(CN1CCOC2(CCCCC2)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823001301 946258543 /nfs/dbraw/zinc/25/85/43/946258543.db2.gz KQEPZYOKAORNBN-UHFFFAOYSA-N -1 3 399.455 0.663 20 50 GCGDHM O=C(CN1CCOC2(CCCCC2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823001301 946258554 /nfs/dbraw/zinc/25/85/54/946258554.db2.gz KQEPZYOKAORNBN-UHFFFAOYSA-N -1 3 399.455 0.663 20 50 GCGDHM O=C(COC(=O)C(F)=C1CCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823014150 946266613 /nfs/dbraw/zinc/26/66/13/946266613.db2.gz HUMQLZJBXHRBFZ-UHFFFAOYSA-N -1 3 388.359 0.969 20 50 GCGDHM O=C(COC(=O)C(F)=C1CCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823014150 946266623 /nfs/dbraw/zinc/26/66/23/946266623.db2.gz HUMQLZJBXHRBFZ-UHFFFAOYSA-N -1 3 388.359 0.969 20 50 GCGDHM O=C(COC(=O)C[C@@H]1CCCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823017634 946267717 /nfs/dbraw/zinc/26/77/17/946267717.db2.gz BSLGQYGCRJVOAQ-ZDUSSCGKSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)C[C@@H]1CCCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823017634 946267728 /nfs/dbraw/zinc/26/77/28/946267728.db2.gz BSLGQYGCRJVOAQ-ZDUSSCGKSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)C[C@H]1CCCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823017627 946268295 /nfs/dbraw/zinc/26/82/95/946268295.db2.gz BSLGQYGCRJVOAQ-CYBMUJFWSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)C[C@H]1CCCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823017627 946268300 /nfs/dbraw/zinc/26/83/00/946268300.db2.gz BSLGQYGCRJVOAQ-CYBMUJFWSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823017914 946270367 /nfs/dbraw/zinc/27/03/67/946270367.db2.gz FMXYPYCPWBADFW-NHAGDIPZSA-N -1 3 384.396 0.607 20 50 GCGDHM O=C(COC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823017914 946270374 /nfs/dbraw/zinc/27/03/74/946270374.db2.gz FMXYPYCPWBADFW-NHAGDIPZSA-N -1 3 384.396 0.607 20 50 GCGDHM O=C(C=Cc1ccco1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018354 946270430 /nfs/dbraw/zinc/27/04/30/946270430.db2.gz LMRQXZOVERIDGR-BQYQJAHWSA-N -1 3 382.336 0.477 20 50 GCGDHM O=C(C=Cc1ccco1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018354 946270441 /nfs/dbraw/zinc/27/04/41/946270441.db2.gz LMRQXZOVERIDGR-BQYQJAHWSA-N -1 3 382.336 0.477 20 50 GCGDHM O=C(COC(=O)CC[C@@H]1CCCO1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823017834 946270721 /nfs/dbraw/zinc/27/07/21/946270721.db2.gz CUDPYCYHGIZMKQ-ZDUSSCGKSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)CC[C@@H]1CCCO1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823017834 946270732 /nfs/dbraw/zinc/27/07/32/946270732.db2.gz CUDPYCYHGIZMKQ-ZDUSSCGKSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)CCc1ccoc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018682 946275149 /nfs/dbraw/zinc/27/51/49/946275149.db2.gz WEDKKLUDEIZFCK-UHFFFAOYSA-N -1 3 384.352 0.397 20 50 GCGDHM O=C(COC(=O)CCc1ccoc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018682 946275161 /nfs/dbraw/zinc/27/51/61/946275161.db2.gz WEDKKLUDEIZFCK-UHFFFAOYSA-N -1 3 384.352 0.397 20 50 GCGDHM O=C(COC(=O)[C@H]1CCCS1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018881 946276401 /nfs/dbraw/zinc/27/64/01/946276401.db2.gz ZSPCWFAMZCXDAG-LLVKDONJSA-N -1 3 376.398 0.067 20 50 GCGDHM O=C(COC(=O)[C@H]1CCCS1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018881 946276407 /nfs/dbraw/zinc/27/64/07/946276407.db2.gz ZSPCWFAMZCXDAG-LLVKDONJSA-N -1 3 376.398 0.067 20 50 GCGDHM O=C(COC(=O)[C@@H]1CC12CCCC2)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018812 946276601 /nfs/dbraw/zinc/27/66/01/946276601.db2.gz XXFOUUAPYUZBCD-ZDUSSCGKSA-N -1 3 384.396 0.751 20 50 GCGDHM O=C(COC(=O)[C@@H]1CC12CCCC2)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018812 946276612 /nfs/dbraw/zinc/27/66/12/946276612.db2.gz XXFOUUAPYUZBCD-ZDUSSCGKSA-N -1 3 384.396 0.751 20 50 GCGDHM O=C(COC(=O)Cc1cccc(O)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823022534 946279144 /nfs/dbraw/zinc/27/91/44/946279144.db2.gz IFECGNWDWFZQHN-UHFFFAOYSA-N -1 3 396.363 0.119 20 50 GCGDHM O=C(COC(=O)Cc1cccc(O)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823022534 946279155 /nfs/dbraw/zinc/27/91/55/946279155.db2.gz IFECGNWDWFZQHN-UHFFFAOYSA-N -1 3 396.363 0.119 20 50 GCGDHM O=C(COC(=O)Cc1ccsc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823022748 946279610 /nfs/dbraw/zinc/27/96/10/946279610.db2.gz MZMKJMPWEYVEGJ-UHFFFAOYSA-N -1 3 386.393 0.475 20 50 GCGDHM O=C(COC(=O)Cc1ccsc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823022748 946279618 /nfs/dbraw/zinc/27/96/18/946279618.db2.gz MZMKJMPWEYVEGJ-UHFFFAOYSA-N -1 3 386.393 0.475 20 50 GCGDHM O=C(COC(=O)c1ccncc1F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823026919 946280624 /nfs/dbraw/zinc/28/06/24/946280624.db2.gz IQIDQJKHWHLAON-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COC(=O)c1ccncc1F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823026919 946280636 /nfs/dbraw/zinc/28/06/36/946280636.db2.gz IQIDQJKHWHLAON-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCCc1ccncc1 ZINC000823049353 946293212 /nfs/dbraw/zinc/29/32/12/946293212.db2.gz DAUNNZILFJEOFA-UHFFFAOYSA-N -1 3 382.384 0.214 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCCc1ccncc1 ZINC000823049353 946293219 /nfs/dbraw/zinc/29/32/19/946293219.db2.gz DAUNNZILFJEOFA-UHFFFAOYSA-N -1 3 382.384 0.214 20 50 GCGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000823103457 946309026 /nfs/dbraw/zinc/30/90/26/946309026.db2.gz HFKANEUKSFIVEP-UHFFFAOYSA-N -1 3 381.400 0.179 20 50 GCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000823103457 946309037 /nfs/dbraw/zinc/30/90/37/946309037.db2.gz HFKANEUKSFIVEP-UHFFFAOYSA-N -1 3 381.400 0.179 20 50 GCGDHM O=C(Cc1cccnc1)NNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823115334 946318657 /nfs/dbraw/zinc/31/86/57/946318657.db2.gz MEAAPEOKFLSCON-UHFFFAOYSA-N -1 3 382.384 0.214 20 50 GCGDHM O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823136366 946329406 /nfs/dbraw/zinc/32/94/06/946329406.db2.gz XTMTYPGYQNBQAA-UHFFFAOYSA-N -1 3 392.358 0.810 20 50 GCGDHM O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823136366 946329416 /nfs/dbraw/zinc/32/94/16/946329416.db2.gz XTMTYPGYQNBQAA-UHFFFAOYSA-N -1 3 392.358 0.810 20 50 GCGDHM O=C(NCCCO[C@H]1CCOC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823191458 946339532 /nfs/dbraw/zinc/33/95/32/946339532.db2.gz NEKBAYMUAQOKPN-ZDUSSCGKSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCCCO[C@H]1CCOC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823191458 946339546 /nfs/dbraw/zinc/33/95/46/946339546.db2.gz NEKBAYMUAQOKPN-ZDUSSCGKSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)N[C@H]1CCS(=O)(=O)C1 ZINC000823269797 946367117 /nfs/dbraw/zinc/36/71/17/946367117.db2.gz PDJYIKGACHINHO-NSHDSACASA-N -1 3 388.413 0.168 20 50 GCGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)N[C@H]1CCS(=O)(=O)C1 ZINC000823269797 946367132 /nfs/dbraw/zinc/36/71/32/946367132.db2.gz PDJYIKGACHINHO-NSHDSACASA-N -1 3 388.413 0.168 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN1c1ncccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000823273337 946378494 /nfs/dbraw/zinc/37/84/94/946378494.db2.gz KHCHBPSLMLANCG-ZDUSSCGKSA-N -1 3 379.384 0.087 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN1c1ncccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000823273337 946378500 /nfs/dbraw/zinc/37/85/00/946378500.db2.gz KHCHBPSLMLANCG-ZDUSSCGKSA-N -1 3 379.384 0.087 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN1Cc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273741 946387341 /nfs/dbraw/zinc/38/73/41/946387341.db2.gz WLBBSOVNPWCRSH-MRXNPFEDSA-N -1 3 392.423 0.687 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN1Cc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273741 946387352 /nfs/dbraw/zinc/38/73/52/946387352.db2.gz WLBBSOVNPWCRSH-MRXNPFEDSA-N -1 3 392.423 0.687 20 50 GCGDHM O=C(NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1COCCO1 ZINC000823277514 946401470 /nfs/dbraw/zinc/40/14/70/946401470.db2.gz NYLSFZBXMMESDJ-SNVBAGLBSA-N -1 3 383.821 0.253 20 50 GCGDHM O=C(NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1COCCO1 ZINC000823277514 946401478 /nfs/dbraw/zinc/40/14/78/946401478.db2.gz NYLSFZBXMMESDJ-SNVBAGLBSA-N -1 3 383.821 0.253 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277452 946401578 /nfs/dbraw/zinc/40/15/78/946401578.db2.gz NJFPOWVWJIZUTM-KSSFIOAISA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277452 946401582 /nfs/dbraw/zinc/40/15/82/946401582.db2.gz NJFPOWVWJIZUTM-KSSFIOAISA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277349 946401869 /nfs/dbraw/zinc/40/18/69/946401869.db2.gz LKYWMNNFSPZPPA-ZDUSSCGKSA-N -1 3 385.306 0.220 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277349 946401873 /nfs/dbraw/zinc/40/18/73/946401873.db2.gz LKYWMNNFSPZPPA-ZDUSSCGKSA-N -1 3 385.306 0.220 20 50 GCGDHM C[C@H](CCO)C1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000824406896 946689957 /nfs/dbraw/zinc/68/99/57/946689957.db2.gz SEMPSHUPBPBGMM-GFCCVEGCSA-N -1 3 387.444 1.000 20 50 GCGDHM C[C@H](CCO)C1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000824406896 946689960 /nfs/dbraw/zinc/68/99/60/946689960.db2.gz SEMPSHUPBPBGMM-GFCCVEGCSA-N -1 3 387.444 1.000 20 50 GCGDHM CN(C)c1ncnc2c1cc(C(=O)NNc1cccc(-c3nn[n-]n3)c1)n2C ZINC000825888834 607337143 /nfs/dbraw/zinc/33/71/43/607337143.db2.gz WFTOJVMKRLEGHN-UHFFFAOYSA-N -1 3 378.400 0.971 20 50 GCGDHM CC1CCC(NS(=O)(=O)CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824919802 607345629 /nfs/dbraw/zinc/34/56/29/607345629.db2.gz YZWKXFHTSSZPDW-UHFFFAOYSA-N -1 3 393.473 0.808 20 50 GCGDHM CS(=O)(=O)N1CCc2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826223406 607351474 /nfs/dbraw/zinc/35/14/74/607351474.db2.gz LTYAEGYEYSKPNI-UHFFFAOYSA-N -1 3 399.436 0.946 20 50 GCGDHM CCOC(Cn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)nn1)OCC ZINC000825576442 607351604 /nfs/dbraw/zinc/35/16/04/607351604.db2.gz GZDYDYJJKUQERL-UHFFFAOYSA-N -1 3 387.404 0.614 20 50 GCGDHM O=C(CCN1C(=O)c2ccccc2C1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406891 607354239 /nfs/dbraw/zinc/35/42/39/607354239.db2.gz RNZYEBMNWXGBLU-UHFFFAOYSA-N -1 3 377.364 0.996 20 50 GCGDHM CC(C)[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1CCCS1(=O)=O ZINC000824185016 607354634 /nfs/dbraw/zinc/35/46/34/607354634.db2.gz PNDLGVNKYWBYKA-ZDUSSCGKSA-N -1 3 379.446 0.370 20 50 GCGDHM CS(=O)(=O)c1ccc(NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826224195 607357813 /nfs/dbraw/zinc/35/78/13/607357813.db2.gz TZBPJORLXHAFFZ-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824109576 607462548 /nfs/dbraw/zinc/46/25/48/607462548.db2.gz RQIXARUVFWZTBE-LLVKDONJSA-N -1 3 390.404 0.079 20 50 GCGDHM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824109576 607462550 /nfs/dbraw/zinc/46/25/50/607462550.db2.gz RQIXARUVFWZTBE-LLVKDONJSA-N -1 3 390.404 0.079 20 50 GCGDHM COc1cc(OC)cc(C(=O)NCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826180873 607463040 /nfs/dbraw/zinc/46/30/40/607463040.db2.gz ATFZISSDMQEALD-UHFFFAOYSA-N -1 3 397.395 0.757 20 50 GCGDHM COc1cc(OC)cc(C(=O)NCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826180873 607463042 /nfs/dbraw/zinc/46/30/42/607463042.db2.gz ATFZISSDMQEALD-UHFFFAOYSA-N -1 3 397.395 0.757 20 50 GCGDHM O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424545 607463812 /nfs/dbraw/zinc/46/38/12/607463812.db2.gz RCFLUSUCLNQISJ-UHFFFAOYSA-N -1 3 378.352 0.426 20 50 GCGDHM O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424545 607463814 /nfs/dbraw/zinc/46/38/14/607463814.db2.gz RCFLUSUCLNQISJ-UHFFFAOYSA-N -1 3 378.352 0.426 20 50 GCGDHM CCc1c(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[nH]c(C)c1C(N)=O ZINC000825687012 607676381 /nfs/dbraw/zinc/67/63/81/607676381.db2.gz DIMUFCIVWOHKTK-UHFFFAOYSA-N -1 3 382.384 0.239 20 50 GCGDHM CCc1c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(N)=O ZINC000825687012 607676383 /nfs/dbraw/zinc/67/63/83/607676383.db2.gz DIMUFCIVWOHKTK-UHFFFAOYSA-N -1 3 382.384 0.239 20 50 GCGDHM CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825749371 607682667 /nfs/dbraw/zinc/68/26/67/607682667.db2.gz CMIICYQEIWOSHG-UHFFFAOYSA-N -1 3 379.384 0.568 20 50 GCGDHM CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825749371 607682670 /nfs/dbraw/zinc/68/26/70/607682670.db2.gz CMIICYQEIWOSHG-UHFFFAOYSA-N -1 3 379.384 0.568 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444470 607709295 /nfs/dbraw/zinc/70/92/95/607709295.db2.gz HTOCVTXFXDAEFL-LSDHHAIUSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444470 607709297 /nfs/dbraw/zinc/70/92/97/607709297.db2.gz HTOCVTXFXDAEFL-LSDHHAIUSA-N -1 3 385.428 0.970 20 50 GCGDHM CC(=NNC(=O)CCN1CCN(c2ccccc2)CC1)c1cn(CC(=O)[O-])nn1 ZINC000825798722 604780940 /nfs/dbraw/zinc/78/09/40/604780940.db2.gz UYONATRNVMOANG-UHFFFAOYSA-N -1 3 399.455 0.415 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000826479215 607714643 /nfs/dbraw/zinc/71/46/43/607714643.db2.gz SXZSTPPVKFPPNU-CQSZACIVSA-N -1 3 391.391 0.829 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000826479215 607714645 /nfs/dbraw/zinc/71/46/45/607714645.db2.gz SXZSTPPVKFPPNU-CQSZACIVSA-N -1 3 391.391 0.829 20 50 GCGDHM O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826447774 607721450 /nfs/dbraw/zinc/72/14/50/607721450.db2.gz VJTYKCAFUSEAAV-UHFFFAOYSA-N -1 3 388.413 0.392 20 50 GCGDHM O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826447774 607721451 /nfs/dbraw/zinc/72/14/51/607721451.db2.gz VJTYKCAFUSEAAV-UHFFFAOYSA-N -1 3 388.413 0.392 20 50 GCGDHM CN(C)S(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825875403 607727536 /nfs/dbraw/zinc/72/75/36/607727536.db2.gz OFERFDDGVWOLEU-UHFFFAOYSA-N -1 3 387.425 0.874 20 50 GCGDHM CN(C)S(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825875403 607727537 /nfs/dbraw/zinc/72/75/37/607727537.db2.gz OFERFDDGVWOLEU-UHFFFAOYSA-N -1 3 387.425 0.874 20 50 GCGDHM CN(CC(=O)NNc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccnc1 ZINC000825892094 607731070 /nfs/dbraw/zinc/73/10/70/607731070.db2.gz FORYXDBYVBPCJJ-UHFFFAOYSA-N -1 3 388.413 0.026 20 50 GCGDHM CN(CC(=O)NNc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccnc1 ZINC000825892094 607731072 /nfs/dbraw/zinc/73/10/72/607731072.db2.gz FORYXDBYVBPCJJ-UHFFFAOYSA-N -1 3 388.413 0.026 20 50 GCGDHM CN(CC(=O)NNc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccccc1 ZINC000825892677 607731382 /nfs/dbraw/zinc/73/13/82/607731382.db2.gz RXIZQTAWHUVQNF-UHFFFAOYSA-N -1 3 387.425 0.631 20 50 GCGDHM CN(CC(=O)NNc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccccc1 ZINC000825892677 607731385 /nfs/dbraw/zinc/73/13/85/607731385.db2.gz RXIZQTAWHUVQNF-UHFFFAOYSA-N -1 3 387.425 0.631 20 50 GCGDHM Cc1nc2ncnn2c(C)c1CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826328957 607731722 /nfs/dbraw/zinc/73/17/22/607731722.db2.gz KTWAYKRBTOKWSX-UHFFFAOYSA-N -1 3 378.400 0.997 20 50 GCGDHM Cc1nc2ncnn2c(C)c1CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826328957 607731724 /nfs/dbraw/zinc/73/17/24/607731724.db2.gz KTWAYKRBTOKWSX-UHFFFAOYSA-N -1 3 378.400 0.997 20 50 GCGDHM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)NNC(=O)c1ccccc1Cl ZINC000833628351 605196353 /nfs/dbraw/zinc/19/63/53/605196353.db2.gz GRPUOPBXPKXBMM-LBPRGKRZSA-N -1 3 382.848 0.582 20 50 GCGDHM Cc1cc(S(N)(=O)=O)cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826272412 607756356 /nfs/dbraw/zinc/75/63/56/607756356.db2.gz HZWKJIRYFPIXKN-UHFFFAOYSA-N -1 3 387.425 0.888 20 50 GCGDHM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823285697 606821399 /nfs/dbraw/zinc/82/13/99/606821399.db2.gz YZORDANDRGUSDL-UHFFFAOYSA-N -1 3 382.388 0.642 20 50 GCGDHM O=C(NN=Cc1cnc(N2CCOCC2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444785 607888173 /nfs/dbraw/zinc/88/81/73/607888173.db2.gz UDMJTYVZBURUES-UHFFFAOYSA-N -1 3 384.425 0.924 20 50 GCGDHM O=C(NN=Cc1cnc(N2CCOCC2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444785 607888174 /nfs/dbraw/zinc/88/81/74/607888174.db2.gz UDMJTYVZBURUES-UHFFFAOYSA-N -1 3 384.425 0.924 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](CO)c1ccccc1 ZINC000825892154 607922540 /nfs/dbraw/zinc/92/25/40/607922540.db2.gz HBOYLRGSQVAXAH-MRXNPFEDSA-N -1 3 395.423 0.293 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](CO)c1ccccc1 ZINC000825892154 607922541 /nfs/dbraw/zinc/92/25/41/607922541.db2.gz HBOYLRGSQVAXAH-MRXNPFEDSA-N -1 3 395.423 0.293 20 50 GCGDHM O=C(CN1CCOC[C@@H]1c1ccco1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411260 607923809 /nfs/dbraw/zinc/92/38/09/607923809.db2.gz RDHXDWNPFAWYQK-CQSZACIVSA-N -1 3 397.395 0.294 20 50 GCGDHM O=C(CN1CCOC[C@@H]1c1ccco1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411260 607923810 /nfs/dbraw/zinc/92/38/10/607923810.db2.gz RDHXDWNPFAWYQK-CQSZACIVSA-N -1 3 397.395 0.294 20 50 GCGDHM O=C(CN1CCC[C@H]1c1ccccn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410248 607924607 /nfs/dbraw/zinc/92/46/07/607924607.db2.gz HRAYXGOWAKPECI-INIZCTEOSA-N -1 3 392.423 0.860 20 50 GCGDHM O=C(CN1CCC[C@H]1c1ccccn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410248 607924608 /nfs/dbraw/zinc/92/46/08/607924608.db2.gz HRAYXGOWAKPECI-INIZCTEOSA-N -1 3 392.423 0.860 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=S)NC[C@H]1CCCCO1 ZINC000826419380 607966881 /nfs/dbraw/zinc/96/68/81/607966881.db2.gz VGPAPICJLQRULL-LLVKDONJSA-N -1 3 391.457 0.310 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=S)NC[C@H]1CCCCO1 ZINC000826419380 607966882 /nfs/dbraw/zinc/96/68/82/607966882.db2.gz VGPAPICJLQRULL-LLVKDONJSA-N -1 3 391.457 0.310 20 50 GCGDHM O=C(NCCc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439667 607979908 /nfs/dbraw/zinc/97/99/08/607979908.db2.gz FBMRAXSDEVPUFA-UHFFFAOYSA-N -1 3 396.367 0.962 20 50 GCGDHM O=C(NCCc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439667 607979909 /nfs/dbraw/zinc/97/99/09/607979909.db2.gz FBMRAXSDEVPUFA-UHFFFAOYSA-N -1 3 396.367 0.962 20 50 GCGDHM COc1ccc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826192690 608166585 /nfs/dbraw/zinc/16/65/85/608166585.db2.gz WXHDFZHSHLNWJB-UHFFFAOYSA-N -1 3 396.411 0.163 20 50 GCGDHM COc1ccc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826192690 608166587 /nfs/dbraw/zinc/16/65/87/608166587.db2.gz WXHDFZHSHLNWJB-UHFFFAOYSA-N -1 3 396.411 0.163 20 50 GCGDHM CCC1(CO)CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825170516 608171951 /nfs/dbraw/zinc/17/19/51/608171951.db2.gz AWMGXSMTOKBMBR-UHFFFAOYSA-N -1 3 387.444 0.112 20 50 GCGDHM C[C@@H]1C[C@H](CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824885925 608203999 /nfs/dbraw/zinc/20/39/99/608203999.db2.gz VEPPEGOHRURKPE-VXGBXAGGSA-N -1 3 389.416 0.391 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(OCCO)CC2)cc(-c2nnn[n-]2)n1C ZINC000826235346 608276882 /nfs/dbraw/zinc/27/68/82/608276882.db2.gz HZEOBSKOTKWCQP-NTEUORMPSA-N -1 3 385.428 0.421 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(OCCO)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235346 608276883 /nfs/dbraw/zinc/27/68/83/608276883.db2.gz HZEOBSKOTKWCQP-NTEUORMPSA-N -1 3 385.428 0.421 20 50 GCGDHM CS(=O)(=O)NCC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826223202 608317971 /nfs/dbraw/zinc/31/79/71/608317971.db2.gz DYXLZAYIJDUMIY-UHFFFAOYSA-N -1 3 399.436 0.550 20 50 GCGDHM CS(=O)(=O)NCC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826223202 608317973 /nfs/dbraw/zinc/31/79/73/608317973.db2.gz DYXLZAYIJDUMIY-UHFFFAOYSA-N -1 3 399.436 0.550 20 50 GCGDHM CS(=O)(=O)NCC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826223326 608318116 /nfs/dbraw/zinc/31/81/16/608318116.db2.gz JDBOGINZLKQVTP-UHFFFAOYSA-N -1 3 399.436 0.550 20 50 GCGDHM CS(=O)(=O)NCC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826223326 608318118 /nfs/dbraw/zinc/31/81/18/608318118.db2.gz JDBOGINZLKQVTP-UHFFFAOYSA-N -1 3 399.436 0.550 20 50 GCGDHM O=C(NC[C@@H]1COC2(CCCC2)O1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435343 608321252 /nfs/dbraw/zinc/32/12/52/608321252.db2.gz MNCVKUDOSHRKRK-CYBMUJFWSA-N -1 3 387.400 0.496 20 50 GCGDHM O=C(NC[C@@H]1COC2(CCCC2)O1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435343 608321254 /nfs/dbraw/zinc/32/12/54/608321254.db2.gz MNCVKUDOSHRKRK-CYBMUJFWSA-N -1 3 387.400 0.496 20 50 GCGDHM O=C(CN1CCc2cccc(F)c2C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826411502 608469817 /nfs/dbraw/zinc/46/98/17/608469817.db2.gz AUTGDNCBTYYGBO-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM O=C(CN1CCc2cccc(F)c2C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826411502 608469818 /nfs/dbraw/zinc/46/98/18/608469818.db2.gz AUTGDNCBTYYGBO-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCNC(=O)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235998 608490205 /nfs/dbraw/zinc/49/02/05/608490205.db2.gz WJJNLVCSSKZBDQ-RIYZIHGNSA-N -1 3 384.444 0.651 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCNC(=O)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235998 608490206 /nfs/dbraw/zinc/49/02/06/608490206.db2.gz WJJNLVCSSKZBDQ-RIYZIHGNSA-N -1 3 384.444 0.651 20 50 GCGDHM C[C@H](c1ccccn1)N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824772643 608582717 /nfs/dbraw/zinc/58/27/17/608582717.db2.gz WJKIWAHMIRRIPI-GFCCVEGCSA-N -1 3 380.412 0.716 20 50 GCGDHM C[C@H](c1ccccn1)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824772643 608582718 /nfs/dbraw/zinc/58/27/18/608582718.db2.gz WJKIWAHMIRRIPI-GFCCVEGCSA-N -1 3 380.412 0.716 20 50 GCGDHM CSCCNC(=S)NNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826228847 608764154 /nfs/dbraw/zinc/76/41/54/608764154.db2.gz CWKXKJRGERMUKH-UHFFFAOYSA-N -1 3 397.555 0.958 20 50 GCGDHM CSCCNC(=S)NNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826228847 608764156 /nfs/dbraw/zinc/76/41/56/608764156.db2.gz CWKXKJRGERMUKH-UHFFFAOYSA-N -1 3 397.555 0.958 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCNC(=O)N(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235103 608863590 /nfs/dbraw/zinc/86/35/90/608863590.db2.gz BOSPOERHTAUZFR-JYRVWZFOSA-N -1 3 385.432 0.150 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCNC(=O)N(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235103 608863593 /nfs/dbraw/zinc/86/35/93/608863593.db2.gz BOSPOERHTAUZFR-JYRVWZFOSA-N -1 3 385.432 0.150 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000824499091 609191622 /nfs/dbraw/zinc/19/16/22/609191622.db2.gz NNNCIOPUYDGUFV-NWDGAFQWSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000824499091 609191624 /nfs/dbraw/zinc/19/16/24/609191624.db2.gz NNNCIOPUYDGUFV-NWDGAFQWSA-N -1 3 389.416 0.391 20 50 GCGDHM O=C(NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2cccnc21 ZINC000826444902 609217023 /nfs/dbraw/zinc/21/70/23/609217023.db2.gz YUWJRWXGADBXMB-INIZCTEOSA-N -1 3 389.375 0.910 20 50 GCGDHM O=C(NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2cccnc21 ZINC000826444902 609217025 /nfs/dbraw/zinc/21/70/25/609217025.db2.gz YUWJRWXGADBXMB-INIZCTEOSA-N -1 3 389.375 0.910 20 50 GCGDHM COCc1noc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000826165576 609237498 /nfs/dbraw/zinc/23/74/98/609237498.db2.gz BDJJHLPHAIHCSN-WCIBSUBMSA-N -1 3 384.356 0.693 20 50 GCGDHM COCc1noc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000826165576 609237499 /nfs/dbraw/zinc/23/74/99/609237499.db2.gz BDJJHLPHAIHCSN-WCIBSUBMSA-N -1 3 384.356 0.693 20 50 GCGDHM COc1cccc(NNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000826216545 609262621 /nfs/dbraw/zinc/26/26/21/609262621.db2.gz DGKLUXBROVKIJO-KPKJPENVSA-N -1 3 379.384 0.968 20 50 GCGDHM COc1cccc(NNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000826216545 609262622 /nfs/dbraw/zinc/26/26/22/609262622.db2.gz DGKLUXBROVKIJO-KPKJPENVSA-N -1 3 379.384 0.968 20 50 GCGDHM CCO/C=C(/C#N)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825582302 609265650 /nfs/dbraw/zinc/26/56/50/609265650.db2.gz JELYSAQQPGXNJU-BMOGTNHUSA-N -1 3 381.396 0.922 20 50 GCGDHM CCO/C=C(/C#N)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825582302 609265652 /nfs/dbraw/zinc/26/56/52/609265652.db2.gz JELYSAQQPGXNJU-BMOGTNHUSA-N -1 3 381.396 0.922 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826236066 609265687 /nfs/dbraw/zinc/26/56/87/609265687.db2.gz XTTVEEKPYJHOOX-CHJAJTDHSA-N -1 3 394.439 0.548 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826236066 609265690 /nfs/dbraw/zinc/26/56/90/609265690.db2.gz XTTVEEKPYJHOOX-CHJAJTDHSA-N -1 3 394.439 0.548 20 50 GCGDHM CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948199 609274791 /nfs/dbraw/zinc/27/47/91/609274791.db2.gz GVDBYZDNGYJJKX-JTQLQIEISA-N -1 3 381.393 0.216 20 50 GCGDHM CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948199 609274792 /nfs/dbraw/zinc/27/47/92/609274792.db2.gz GVDBYZDNGYJJKX-JTQLQIEISA-N -1 3 381.393 0.216 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235159 609295104 /nfs/dbraw/zinc/29/51/04/609295104.db2.gz DJTKLXJEMUFJNU-GFSSTFBJSA-N -1 3 383.334 0.802 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235159 609295105 /nfs/dbraw/zinc/29/51/05/609295105.db2.gz DJTKLXJEMUFJNU-GFSSTFBJSA-N -1 3 383.334 0.802 20 50 GCGDHM O=C(CN1CCC[C@H](OC(F)F)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826410828 609299483 /nfs/dbraw/zinc/29/94/83/609299483.db2.gz ZPRLZUFAOFLOFH-LBPRGKRZSA-N -1 3 395.370 0.331 20 50 GCGDHM O=C(CN1CCC[C@H](OC(F)F)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826410828 609299485 /nfs/dbraw/zinc/29/94/85/609299485.db2.gz ZPRLZUFAOFLOFH-LBPRGKRZSA-N -1 3 395.370 0.331 20 50 GCGDHM O=C(CN1CCC[C@H](OC(F)F)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410339 609299665 /nfs/dbraw/zinc/29/96/65/609299665.db2.gz KNBPKQBENPYRNY-LBPRGKRZSA-N -1 3 395.370 0.331 20 50 GCGDHM O=C(CN1CCC[C@H](OC(F)F)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410339 609299667 /nfs/dbraw/zinc/29/96/67/609299667.db2.gz KNBPKQBENPYRNY-LBPRGKRZSA-N -1 3 395.370 0.331 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824109629 609335002 /nfs/dbraw/zinc/33/50/02/609335002.db2.gz UFBUPUAXPSAODB-UHFFFAOYSA-N -1 3 376.377 0.544 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824109629 609335004 /nfs/dbraw/zinc/33/50/04/609335004.db2.gz UFBUPUAXPSAODB-UHFFFAOYSA-N -1 3 376.377 0.544 20 50 GCGDHM CC[C@@H]1C[C@H](CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825182003 609373270 /nfs/dbraw/zinc/37/32/70/609373270.db2.gz HDXHPZJTDQIVOR-TZMCWYRMSA-N -1 3 388.428 0.988 20 50 GCGDHM CC[C@@H]1C[C@@H](CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825182000 609373423 /nfs/dbraw/zinc/37/34/23/609373423.db2.gz HDXHPZJTDQIVOR-GXTWGEPZSA-N -1 3 388.428 0.988 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)c2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000826235975 609392834 /nfs/dbraw/zinc/39/28/34/609392834.db2.gz VWIWWRDGGLWSDJ-MBNGJLNHSA-N -1 3 381.400 0.004 20 50 GCGDHM CN(Cc1ncc(Cl)n1C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825992068 609445572 /nfs/dbraw/zinc/44/55/72/609445572.db2.gz NUFDJMOCJGFUOF-UHFFFAOYSA-N -1 3 389.807 0.740 20 50 GCGDHM CN(Cc1ncc(Cl)n1C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825992068 609445573 /nfs/dbraw/zinc/44/55/73/609445573.db2.gz NUFDJMOCJGFUOF-UHFFFAOYSA-N -1 3 389.807 0.740 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H](CO)c1ccc(F)cc1 ZINC000826445551 609447352 /nfs/dbraw/zinc/44/73/52/609447352.db2.gz YMDHOCQCJUSBKV-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H](CO)c1ccc(F)cc1 ZINC000826445551 609447354 /nfs/dbraw/zinc/44/73/54/609447354.db2.gz YMDHOCQCJUSBKV-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM Cc1nn(CCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC000737513853 945088265 /nfs/dbraw/zinc/08/82/65/945088265.db2.gz WULNMWGDFISTOX-UHFFFAOYSA-N -1 3 399.371 0.440 20 50 GCGDHM Cc1nn(CCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000737513853 945088275 /nfs/dbraw/zinc/08/82/75/945088275.db2.gz WULNMWGDFISTOX-UHFFFAOYSA-N -1 3 399.371 0.440 20 50 GCGDHM Cn1cc(N2CC[C@@H](NC(=O)NNc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737611230 945102779 /nfs/dbraw/zinc/10/27/79/945102779.db2.gz SZFATNDYEMGSAJ-CYBMUJFWSA-N -1 3 382.388 0.032 20 50 GCGDHM Cn1cc(N2CC[C@@H](NC(=O)NNc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737611230 945102781 /nfs/dbraw/zinc/10/27/81/945102781.db2.gz SZFATNDYEMGSAJ-CYBMUJFWSA-N -1 3 382.388 0.032 20 50 GCGDHM N#Cc1ccc(NCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737720114 945116909 /nfs/dbraw/zinc/11/69/09/945116909.db2.gz YPIMACMGJOMYIU-UHFFFAOYSA-N -1 3 392.379 0.377 20 50 GCGDHM N#Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737723557 945118162 /nfs/dbraw/zinc/11/81/62/945118162.db2.gz WNBKFYXYPAQONR-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM N#Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737723557 945118171 /nfs/dbraw/zinc/11/81/71/945118171.db2.gz WNBKFYXYPAQONR-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM NC(=O)[C@H](NNC(=O)COCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736371 945118608 /nfs/dbraw/zinc/11/86/08/945118608.db2.gz IPINHPJVPZPBBK-MRXNPFEDSA-N -1 3 381.396 0.231 20 50 GCGDHM NC(=O)[C@H](NNC(=O)COCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736371 945118611 /nfs/dbraw/zinc/11/86/11/945118611.db2.gz IPINHPJVPZPBBK-MRXNPFEDSA-N -1 3 381.396 0.231 20 50 GCGDHM NC(=O)[C@H](NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000737736909 945119761 /nfs/dbraw/zinc/11/97/61/945119761.db2.gz MTYNJAVDKWPQNS-OAHLLOKOSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)[C@H](NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000737736909 945119770 /nfs/dbraw/zinc/11/97/70/945119770.db2.gz MTYNJAVDKWPQNS-OAHLLOKOSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)[C@H](NNC(=O)c1cc2c(s1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737923 945120922 /nfs/dbraw/zinc/12/09/22/945120922.db2.gz SMSUEKSFGHEEPP-CQSZACIVSA-N -1 3 383.437 0.878 20 50 GCGDHM NC(=O)[C@H](NNC(=O)c1cc2c(s1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737923 945120925 /nfs/dbraw/zinc/12/09/25/945120925.db2.gz SMSUEKSFGHEEPP-CQSZACIVSA-N -1 3 383.437 0.878 20 50 GCGDHM NC(=O)N[C@@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737758538 945123196 /nfs/dbraw/zinc/12/31/96/945123196.db2.gz MDYTZKAESKIOKS-AWEZNQCLSA-N -1 3 394.395 0.427 20 50 GCGDHM NC(=O)N[C@@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737758538 945123198 /nfs/dbraw/zinc/12/31/98/945123198.db2.gz MDYTZKAESKIOKS-AWEZNQCLSA-N -1 3 394.395 0.427 20 50 GCGDHM NC(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737762308 945123279 /nfs/dbraw/zinc/12/32/79/945123279.db2.gz YANIXLWWXFPZCC-UHFFFAOYSA-N -1 3 380.368 0.110 20 50 GCGDHM NC(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737762308 945123285 /nfs/dbraw/zinc/12/32/85/945123285.db2.gz YANIXLWWXFPZCC-UHFFFAOYSA-N -1 3 380.368 0.110 20 50 GCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNC(=O)c2ccoc2)cc1 ZINC000737777269 945123910 /nfs/dbraw/zinc/12/39/10/945123910.db2.gz RZHBLZOEVOXMQB-UHFFFAOYSA-N -1 3 379.340 0.302 20 50 GCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNC(=O)c2ccoc2)cc1 ZINC000737777269 945123919 /nfs/dbraw/zinc/12/39/19/945123919.db2.gz RZHBLZOEVOXMQB-UHFFFAOYSA-N -1 3 379.340 0.302 20 50 GCGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNC(=O)COc1ccccc1O ZINC000737798202 945128120 /nfs/dbraw/zinc/12/81/20/945128120.db2.gz HAGLCOLDIQWOLZ-MDZDMXLPSA-N -1 3 380.364 0.812 20 50 GCGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNC(=O)COc1ccccc1O ZINC000737798202 945128127 /nfs/dbraw/zinc/12/81/27/945128127.db2.gz HAGLCOLDIQWOLZ-MDZDMXLPSA-N -1 3 380.364 0.812 20 50 GCGDHM O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737818656 945131671 /nfs/dbraw/zinc/13/16/71/945131671.db2.gz JNVYOQUTJVGLQM-CQSZACIVSA-N -1 3 378.348 0.930 20 50 GCGDHM O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737818656 945131675 /nfs/dbraw/zinc/13/16/75/945131675.db2.gz JNVYOQUTJVGLQM-CQSZACIVSA-N -1 3 378.348 0.930 20 50 GCGDHM O=C(CN1C(=O)CCc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737879022 945142867 /nfs/dbraw/zinc/14/28/67/945142867.db2.gz RWBQYEQQPZQZLL-UHFFFAOYSA-N -1 3 391.391 0.607 20 50 GCGDHM O=C(CN1C(=O)CCc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737879022 945142874 /nfs/dbraw/zinc/14/28/74/945142874.db2.gz RWBQYEQQPZQZLL-UHFFFAOYSA-N -1 3 391.391 0.607 20 50 GCGDHM O=C(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Nc1ccccc1 ZINC000737888446 945144197 /nfs/dbraw/zinc/14/41/97/945144197.db2.gz DUTCJMYVGMXZGV-UHFFFAOYSA-N -1 3 380.368 0.449 20 50 GCGDHM O=C(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Nc1ccccc1 ZINC000737888446 945144202 /nfs/dbraw/zinc/14/42/02/945144202.db2.gz DUTCJMYVGMXZGV-UHFFFAOYSA-N -1 3 380.368 0.449 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1ccccc1[N+](=O)[O-] ZINC000737890184 945147204 /nfs/dbraw/zinc/14/72/04/945147204.db2.gz VRMCTTCNXZHHLE-UHFFFAOYSA-N -1 3 382.340 0.648 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1ccccc1[N+](=O)[O-] ZINC000737890184 945147216 /nfs/dbraw/zinc/14/72/16/945147216.db2.gz VRMCTTCNXZHHLE-UHFFFAOYSA-N -1 3 382.340 0.648 20 50 GCGDHM O=C(COCc1ccccc1)NNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737916196 945150232 /nfs/dbraw/zinc/15/02/32/945150232.db2.gz MKUNFOXVWRXLTA-UHFFFAOYSA-N -1 3 381.396 0.914 20 50 GCGDHM O=C(COCc1ccccc1)NNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737916196 945150237 /nfs/dbraw/zinc/15/02/37/945150237.db2.gz MKUNFOXVWRXLTA-UHFFFAOYSA-N -1 3 381.396 0.914 20 50 GCGDHM O=C(COCc1ccccc1)NNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737915217 945150856 /nfs/dbraw/zinc/15/08/56/945150856.db2.gz AFYCHRWNHVSACR-UHFFFAOYSA-N -1 3 381.396 0.914 20 50 GCGDHM O=C(COCc1ccccc1)NNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737915217 945150861 /nfs/dbraw/zinc/15/08/61/945150861.db2.gz AFYCHRWNHVSACR-UHFFFAOYSA-N -1 3 381.396 0.914 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=S)NCCc1cccnc1 ZINC000737918851 945151872 /nfs/dbraw/zinc/15/18/72/945151872.db2.gz OJNDVKPYXZDALP-UHFFFAOYSA-N -1 3 398.452 0.379 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCc1cccc(CO)c1 ZINC000737928688 945156470 /nfs/dbraw/zinc/15/64/70/945156470.db2.gz AURDWQGNBREBKW-UHFFFAOYSA-N -1 3 397.395 0.268 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCc1cccc(CO)c1 ZINC000737928688 945156476 /nfs/dbraw/zinc/15/64/76/945156476.db2.gz AURDWQGNBREBKW-UHFFFAOYSA-N -1 3 397.395 0.268 20 50 GCGDHM O=C(NC[C@@H](O)c1ccccc1F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738036357 945173712 /nfs/dbraw/zinc/17/37/12/945173712.db2.gz AQZHTABEQWPESV-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NC[C@@H](O)c1ccccc1F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738036357 945173718 /nfs/dbraw/zinc/17/37/18/945173718.db2.gz AQZHTABEQWPESV-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NC[C@@H](CCO)c1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738036938 945173845 /nfs/dbraw/zinc/17/38/45/945173845.db2.gz AKQHGRXFIBIBFS-MRXNPFEDSA-N -1 3 395.423 0.977 20 50 GCGDHM O=C(NC[C@@H](CCO)c1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738036938 945173851 /nfs/dbraw/zinc/17/38/51/945173851.db2.gz AKQHGRXFIBIBFS-MRXNPFEDSA-N -1 3 395.423 0.977 20 50 GCGDHM O=C(NC[C@@H](O)Cc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738040045 945174711 /nfs/dbraw/zinc/17/47/11/945174711.db2.gz ORGKFKGAYSPSST-HNNXBMFYSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NC[C@@H](O)Cc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738040045 945174721 /nfs/dbraw/zinc/17/47/21/945174721.db2.gz ORGKFKGAYSPSST-HNNXBMFYSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NCCCN1CCCCC1=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738064482 945180499 /nfs/dbraw/zinc/18/04/99/945180499.db2.gz BEYPZLYMQFGWIH-UHFFFAOYSA-N -1 3 386.416 0.213 20 50 GCGDHM O=C(NCCCN1CCCCC1=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738064482 945180505 /nfs/dbraw/zinc/18/05/05/945180505.db2.gz BEYPZLYMQFGWIH-UHFFFAOYSA-N -1 3 386.416 0.213 20 50 GCGDHM O=C(NCCOC[C@H]1CCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738081629 945182772 /nfs/dbraw/zinc/18/27/72/945182772.db2.gz FPIFOXJGJOLTSI-CYBMUJFWSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCCOC[C@H]1CCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738081629 945182784 /nfs/dbraw/zinc/18/27/84/945182784.db2.gz FPIFOXJGJOLTSI-CYBMUJFWSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130125 945206748 /nfs/dbraw/zinc/20/67/48/945206748.db2.gz KSMARGGOIDPESJ-LBPRGKRZSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN(CC(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130125 945206752 /nfs/dbraw/zinc/20/67/52/945206752.db2.gz KSMARGGOIDPESJ-LBPRGKRZSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130297 945208769 /nfs/dbraw/zinc/20/87/69/945208769.db2.gz PCIRJMPFHUAJOI-CQSZACIVSA-N -1 3 383.412 0.276 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130297 945208779 /nfs/dbraw/zinc/20/87/79/945208779.db2.gz PCIRJMPFHUAJOI-CQSZACIVSA-N -1 3 383.412 0.276 20 50 GCGDHM O=C(NNC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130256 945209048 /nfs/dbraw/zinc/20/90/48/945209048.db2.gz OLYYJIFTOOSBDV-CQSZACIVSA-N -1 3 378.348 0.409 20 50 GCGDHM O=C(NNC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130256 945209056 /nfs/dbraw/zinc/20/90/56/945209056.db2.gz OLYYJIFTOOSBDV-CQSZACIVSA-N -1 3 378.348 0.409 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130295 945209804 /nfs/dbraw/zinc/20/98/04/945209804.db2.gz PCIRJMPFHUAJOI-AWEZNQCLSA-N -1 3 383.412 0.276 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130295 945209813 /nfs/dbraw/zinc/20/98/13/945209813.db2.gz PCIRJMPFHUAJOI-AWEZNQCLSA-N -1 3 383.412 0.276 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130910 945212743 /nfs/dbraw/zinc/21/27/43/945212743.db2.gz YKYXNSCZFMXXRH-CYBMUJFWSA-N -1 3 383.412 0.419 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130910 945212753 /nfs/dbraw/zinc/21/27/53/945212753.db2.gz YKYXNSCZFMXXRH-CYBMUJFWSA-N -1 3 383.412 0.419 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000738136170 945231944 /nfs/dbraw/zinc/23/19/44/945231944.db2.gz GJUVXIYOFRDRMC-UHFFFAOYSA-N -1 3 385.771 0.920 20 50 GCGDHM O=C(NNC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(-c2nnn[n-]2)c1 ZINC000738308068 945259834 /nfs/dbraw/zinc/25/98/34/945259834.db2.gz YENBMVHHHGMKFE-UHFFFAOYSA-N -1 3 379.336 0.272 20 50 GCGDHM O=C(NNC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(-c2nn[n-]n2)c1 ZINC000738308068 945259843 /nfs/dbraw/zinc/25/98/43/945259843.db2.gz YENBMVHHHGMKFE-UHFFFAOYSA-N -1 3 379.336 0.272 20 50 GCGDHM C=CCCO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819740198 945276478 /nfs/dbraw/zinc/27/64/78/945276478.db2.gz UCOKNKPVIGMCPI-NSHDSACASA-N -1 3 388.384 0.152 20 50 GCGDHM C=CCCO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819740198 945276485 /nfs/dbraw/zinc/27/64/85/945276485.db2.gz UCOKNKPVIGMCPI-NSHDSACASA-N -1 3 388.384 0.152 20 50 GCGDHM C=CCCO[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819740132 945276916 /nfs/dbraw/zinc/27/69/16/945276916.db2.gz QNGLCBDZOLEBKT-LLVKDONJSA-N -1 3 388.384 0.152 20 50 GCGDHM C=CCCO[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819740132 945276921 /nfs/dbraw/zinc/27/69/21/945276921.db2.gz QNGLCBDZOLEBKT-LLVKDONJSA-N -1 3 388.384 0.152 20 50 GCGDHM C=CCCO[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819740197 945277152 /nfs/dbraw/zinc/27/71/52/945277152.db2.gz UCOKNKPVIGMCPI-LLVKDONJSA-N -1 3 388.384 0.152 20 50 GCGDHM C=CCCO[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819740197 945277157 /nfs/dbraw/zinc/27/71/57/945277157.db2.gz UCOKNKPVIGMCPI-LLVKDONJSA-N -1 3 388.384 0.152 20 50 GCGDHM CC(C)(C)C(=O)CSCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819892175 945308870 /nfs/dbraw/zinc/30/88/70/945308870.db2.gz XSAQJNKMWTUJBP-UHFFFAOYSA-N -1 3 376.442 0.976 20 50 GCGDHM CC(C)(C)C(=O)CSCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819892175 945308878 /nfs/dbraw/zinc/30/88/78/945308878.db2.gz XSAQJNKMWTUJBP-UHFFFAOYSA-N -1 3 376.442 0.976 20 50 GCGDHM CC(C)(C)N1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000819914509 945312436 /nfs/dbraw/zinc/31/24/36/945312436.db2.gz UVQNJLVNHIVZJG-LBPRGKRZSA-N -1 3 386.416 0.210 20 50 GCGDHM CC(C)(C)N1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000819914509 945312445 /nfs/dbraw/zinc/31/24/45/945312445.db2.gz UVQNJLVNHIVZJG-LBPRGKRZSA-N -1 3 386.416 0.210 20 50 GCGDHM CC(C)[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1 ZINC000820047413 945335988 /nfs/dbraw/zinc/33/59/88/945335988.db2.gz YSVMEIOGOHVSDV-AWEZNQCLSA-N -1 3 389.485 0.701 20 50 GCGDHM CC(C)[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1 ZINC000820047413 945335997 /nfs/dbraw/zinc/33/59/97/945335997.db2.gz YSVMEIOGOHVSDV-AWEZNQCLSA-N -1 3 389.485 0.701 20 50 GCGDHM CC(C)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n[nH]1 ZINC000820187420 945366322 /nfs/dbraw/zinc/36/63/22/945366322.db2.gz AHRVGDXDKBZIJA-UHFFFAOYSA-N -1 3 398.383 0.331 20 50 GCGDHM CC(C)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000820187420 945366332 /nfs/dbraw/zinc/36/63/32/945366332.db2.gz AHRVGDXDKBZIJA-UHFFFAOYSA-N -1 3 398.383 0.331 20 50 GCGDHM CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735467550 944663087 /nfs/dbraw/zinc/66/30/87/944663087.db2.gz PZANGXXDNGPMAG-INIZCTEOSA-N -1 3 391.391 0.606 20 50 GCGDHM CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735467550 944663091 /nfs/dbraw/zinc/66/30/91/944663091.db2.gz PZANGXXDNGPMAG-INIZCTEOSA-N -1 3 391.391 0.606 20 50 GCGDHM CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735467787 944664526 /nfs/dbraw/zinc/66/45/26/944664526.db2.gz YBMADTVMEFTZOS-INIZCTEOSA-N -1 3 391.391 0.606 20 50 GCGDHM CC(=O)N1c2ccccc2C[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735467787 944664529 /nfs/dbraw/zinc/66/45/29/944664529.db2.gz YBMADTVMEFTZOS-INIZCTEOSA-N -1 3 391.391 0.606 20 50 GCGDHM CC(C)(C(=O)NN[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735581391 944672635 /nfs/dbraw/zinc/67/26/35/944672635.db2.gz RSHLFUSPBJEFNH-HNNXBMFYSA-N -1 3 379.424 0.992 20 50 GCGDHM CC(C)(C(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735581391 944672640 /nfs/dbraw/zinc/67/26/40/944672640.db2.gz RSHLFUSPBJEFNH-HNNXBMFYSA-N -1 3 379.424 0.992 20 50 GCGDHM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735585756 944673002 /nfs/dbraw/zinc/67/30/02/944673002.db2.gz FDXWMJCWXGMNOJ-ZDUSSCGKSA-N -1 3 385.428 0.665 20 50 GCGDHM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735585756 944673008 /nfs/dbraw/zinc/67/30/08/944673008.db2.gz FDXWMJCWXGMNOJ-ZDUSSCGKSA-N -1 3 385.428 0.665 20 50 GCGDHM C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)NC(=O)C1CCCC1 ZINC000735974800 944728110 /nfs/dbraw/zinc/72/81/10/944728110.db2.gz JFVDBJZBEFEHAI-NSHDSACASA-N -1 3 385.428 0.713 20 50 GCGDHM C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)NC(=O)C1CCCC1 ZINC000735974800 944728117 /nfs/dbraw/zinc/72/81/17/944728117.db2.gz JFVDBJZBEFEHAI-NSHDSACASA-N -1 3 385.428 0.713 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000736143986 944750026 /nfs/dbraw/zinc/75/00/26/944750026.db2.gz WJYNPTUEHMRWOT-MRXNPFEDSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000736143986 944750034 /nfs/dbraw/zinc/75/00/34/944750034.db2.gz WJYNPTUEHMRWOT-MRXNPFEDSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C ZINC000736162207 944751075 /nfs/dbraw/zinc/75/10/75/944751075.db2.gz BKGZWOGKJKGMOH-WCQYABFASA-N -1 3 394.457 0.126 20 50 GCGDHM C[C@H](Oc1ccccc1C#N)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736189946 944757368 /nfs/dbraw/zinc/75/73/68/944757368.db2.gz UWVKGNRROBWCIU-NSHDSACASA-N -1 3 377.364 0.967 20 50 GCGDHM C[C@H](Oc1ccccc1C#N)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736189946 944757376 /nfs/dbraw/zinc/75/73/76/944757376.db2.gz UWVKGNRROBWCIU-NSHDSACASA-N -1 3 377.364 0.967 20 50 GCGDHM C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CS2 ZINC000736232040 944770718 /nfs/dbraw/zinc/77/07/18/944770718.db2.gz ZRVLJIKHVXZAHY-BZNIZROVSA-N -1 3 387.425 0.082 20 50 GCGDHM C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CS2 ZINC000736232040 944770721 /nfs/dbraw/zinc/77/07/21/944770721.db2.gz ZRVLJIKHVXZAHY-BZNIZROVSA-N -1 3 387.425 0.082 20 50 GCGDHM C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736262501 944777998 /nfs/dbraw/zinc/77/79/98/944777998.db2.gz NBGJQLNTXXPFAK-DOMZBBRYSA-N -1 3 388.428 0.988 20 50 GCGDHM C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736273350 944783971 /nfs/dbraw/zinc/78/39/71/944783971.db2.gz RPVDQIHNGFQKFP-WFASDCNBSA-N -1 3 388.428 0.988 20 50 GCGDHM C[C@H]1Oc2c(cccc2C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)NC1=O ZINC000736300699 944791500 /nfs/dbraw/zinc/79/15/00/944791500.db2.gz DUWADBGEKIYJED-SECBINFHSA-N -1 3 393.363 0.661 20 50 GCGDHM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736305693 944794486 /nfs/dbraw/zinc/79/44/86/944794486.db2.gz YVESWBWVWHFVAZ-ZUZCIYMTSA-N -1 3 380.364 0.856 20 50 GCGDHM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736305693 944794491 /nfs/dbraw/zinc/79/44/91/944794491.db2.gz YVESWBWVWHFVAZ-ZUZCIYMTSA-N -1 3 380.364 0.856 20 50 GCGDHM CC[C@@H](O)CN1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000736381526 944812948 /nfs/dbraw/zinc/81/29/48/944812948.db2.gz IJDANNKHTZNVMM-HTRKUNOGSA-N -1 3 398.471 0.336 20 50 GCGDHM CCN1CCO[C@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736568284 944844450 /nfs/dbraw/zinc/84/44/50/944844450.db2.gz KRAUVBDDCLYMOI-KEQVLUGWSA-N -1 3 384.444 0.258 20 50 GCGDHM CCOC(=O)C1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000736589826 944848842 /nfs/dbraw/zinc/84/88/42/944848842.db2.gz BLHBKMNKDKWYCN-UHFFFAOYSA-N -1 3 387.400 0.544 20 50 GCGDHM CCOC(=O)C1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000736589826 944848847 /nfs/dbraw/zinc/84/88/47/944848847.db2.gz BLHBKMNKDKWYCN-UHFFFAOYSA-N -1 3 387.400 0.544 20 50 GCGDHM CCOC(=O)[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCO1 ZINC000736594601 944850433 /nfs/dbraw/zinc/85/04/33/944850433.db2.gz SUTQBZNZJPPTGD-QLBUUCPGSA-N -1 3 399.411 0.211 20 50 GCGDHM CCOC(=O)[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCO1 ZINC000736594601 944850454 /nfs/dbraw/zinc/85/04/54/944850454.db2.gz SUTQBZNZJPPTGD-QLBUUCPGSA-N -1 3 399.411 0.211 20 50 GCGDHM CCOC(=O)N[C@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736601235 944852193 /nfs/dbraw/zinc/85/21/93/944852193.db2.gz UFKAWIQETHKNKW-LBPRGKRZSA-N -1 3 375.389 0.398 20 50 GCGDHM CCOC(=O)N[C@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736601235 944852198 /nfs/dbraw/zinc/85/21/98/944852198.db2.gz UFKAWIQETHKNKW-LBPRGKRZSA-N -1 3 375.389 0.398 20 50 GCGDHM CCS(=O)(=O)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736655705 944864022 /nfs/dbraw/zinc/86/40/22/944864022.db2.gz DQGMDBBWAORSIF-MBGMWABPSA-N -1 3 391.457 0.360 20 50 GCGDHM CCS(=O)(=O)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736655705 944864029 /nfs/dbraw/zinc/86/40/29/944864029.db2.gz DQGMDBBWAORSIF-MBGMWABPSA-N -1 3 391.457 0.360 20 50 GCGDHM CCn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736714946 944877434 /nfs/dbraw/zinc/87/74/34/944877434.db2.gz XIRNKNOQEUMLQZ-UHFFFAOYSA-N -1 3 377.368 0.748 20 50 GCGDHM CCn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736714946 944877437 /nfs/dbraw/zinc/87/74/37/944877437.db2.gz XIRNKNOQEUMLQZ-UHFFFAOYSA-N -1 3 377.368 0.748 20 50 GCGDHM CN(C)c1cccc(C(=O)NN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736779582 944888780 /nfs/dbraw/zinc/88/87/80/944888780.db2.gz KBQJHCOQPWEGFA-OAHLLOKOSA-N -1 3 380.412 0.394 20 50 GCGDHM CN(C)c1cccc(C(=O)NN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736779582 944888785 /nfs/dbraw/zinc/88/87/85/944888785.db2.gz KBQJHCOQPWEGFA-OAHLLOKOSA-N -1 3 380.412 0.394 20 50 GCGDHM COC(=O)N1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736934913 944914690 /nfs/dbraw/zinc/91/46/90/944914690.db2.gz FKJVMNHKPRHARD-SVSAJMPUSA-N -1 3 398.427 0.768 20 50 GCGDHM COC(=O)N1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736934913 944914698 /nfs/dbraw/zinc/91/46/98/944914698.db2.gz FKJVMNHKPRHARD-SVSAJMPUSA-N -1 3 398.427 0.768 20 50 GCGDHM COC(=O)N1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736937508 944915206 /nfs/dbraw/zinc/91/52/06/944915206.db2.gz WAJUOJAYPYHYTF-LBPRGKRZSA-N -1 3 388.388 0.042 20 50 GCGDHM COC(=O)N1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736937508 944915216 /nfs/dbraw/zinc/91/52/16/944915216.db2.gz WAJUOJAYPYHYTF-LBPRGKRZSA-N -1 3 388.388 0.042 20 50 GCGDHM CO[C@](C)(C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736957981 944919252 /nfs/dbraw/zinc/91/92/52/944919252.db2.gz ZGAHRRNKQYSHNR-IBGZPJMESA-N -1 3 396.407 0.955 20 50 GCGDHM COCCN1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C[C@H]1C ZINC000737002466 944928479 /nfs/dbraw/zinc/92/84/79/944928479.db2.gz BJZFPIITAQPBRE-WPBJZHHJSA-N -1 3 398.471 0.600 20 50 GCGDHM COCCN1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C[C@@H]1C ZINC000737002465 944929744 /nfs/dbraw/zinc/92/97/44/944929744.db2.gz BJZFPIITAQPBRE-WFSQQTBHSA-N -1 3 398.471 0.600 20 50 GCGDHM COc1cc(C=O)ccc1OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737043746 944938307 /nfs/dbraw/zinc/93/83/07/944938307.db2.gz JDOZWWUQDJPRGI-UHFFFAOYSA-N -1 3 396.363 0.528 20 50 GCGDHM COc1cc(C=O)ccc1OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737043746 944938320 /nfs/dbraw/zinc/93/83/20/944938320.db2.gz JDOZWWUQDJPRGI-UHFFFAOYSA-N -1 3 396.363 0.528 20 50 GCGDHM COc1ccc(C=NNC(=O)CNC(=O)c2cccs2)cc1-c1nnn[n-]1 ZINC000737080516 944951220 /nfs/dbraw/zinc/95/12/20/944951220.db2.gz CCXODIIRMICXAW-UHFFFAOYSA-N -1 3 385.409 0.817 20 50 GCGDHM COc1ccc(C=NNC(=O)CNC(=O)c2cccs2)cc1-c1nn[n-]n1 ZINC000737080516 944951226 /nfs/dbraw/zinc/95/12/26/944951226.db2.gz CCXODIIRMICXAW-UHFFFAOYSA-N -1 3 385.409 0.817 20 50 GCGDHM COc1ccc(C=O)c(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737082801 944955822 /nfs/dbraw/zinc/95/58/22/944955822.db2.gz KJQMPOPXMFHNGD-UHFFFAOYSA-N -1 3 396.363 0.528 20 50 GCGDHM COc1ccc(C=O)c(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737082801 944955826 /nfs/dbraw/zinc/95/58/26/944955826.db2.gz KJQMPOPXMFHNGD-UHFFFAOYSA-N -1 3 396.363 0.528 20 50 GCGDHM COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CO2 ZINC000737117183 944960777 /nfs/dbraw/zinc/96/07/77/944960777.db2.gz XRKJTXWDYDDCPP-CQSZACIVSA-N -1 3 394.391 0.888 20 50 GCGDHM COc1ccc2c(c1)C[C@@H](C(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CO2 ZINC000737117183 944960783 /nfs/dbraw/zinc/96/07/83/944960783.db2.gz XRKJTXWDYDDCPP-CQSZACIVSA-N -1 3 394.391 0.888 20 50 GCGDHM COc1ccccc1OCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737150976 944969896 /nfs/dbraw/zinc/96/98/96/944969896.db2.gz CUGRYGYXAOQPGO-UHFFFAOYSA-N -1 3 397.395 0.898 20 50 GCGDHM COc1ccccc1OCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737150976 944969901 /nfs/dbraw/zinc/96/99/01/944969901.db2.gz CUGRYGYXAOQPGO-UHFFFAOYSA-N -1 3 397.395 0.898 20 50 GCGDHM COc1ccccc1[C@@H](O)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737147615 944970452 /nfs/dbraw/zinc/97/04/52/944970452.db2.gz NHLWJYIILQMJJM-AWEZNQCLSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1ccccc1[C@@H](O)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737147615 944970460 /nfs/dbraw/zinc/97/04/60/944970460.db2.gz NHLWJYIILQMJJM-AWEZNQCLSA-N -1 3 397.395 0.553 20 50 GCGDHM CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737161855 944973002 /nfs/dbraw/zinc/97/30/02/944973002.db2.gz MQNLEADADSGJFV-AWEZNQCLSA-N -1 3 392.441 0.705 20 50 GCGDHM CSCC[C@@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737181127 944976045 /nfs/dbraw/zinc/97/60/45/944976045.db2.gz KRRSQCZBXRWQTK-SNVBAGLBSA-N -1 3 379.446 0.718 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000737194201 944980716 /nfs/dbraw/zinc/98/07/16/944980716.db2.gz DEVBVGZFMKOYIO-NSHDSACASA-N -1 3 382.384 0.732 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000737194201 944980719 /nfs/dbraw/zinc/98/07/19/944980719.db2.gz DEVBVGZFMKOYIO-NSHDSACASA-N -1 3 382.384 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2CCOCC2(C)C)cc(-c2nn[n-]n2)n1C ZINC000737211602 944986269 /nfs/dbraw/zinc/98/62/69/944986269.db2.gz DLOSDSRDHDYWGL-DHDCSXOGSA-N -1 3 398.471 0.648 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2cnc(N(C)C)n2C)cc(-c2nn[n-]n2)n1C ZINC000737211750 944988956 /nfs/dbraw/zinc/98/89/56/944988956.db2.gz FLECBINJRUREFX-AWNIVKPZSA-N -1 3 394.443 0.537 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@H]2CCCO2)cc(-c2nnn[n-]2)n1C ZINC000737212097 944991397 /nfs/dbraw/zinc/99/13/97/944991397.db2.gz HRPWYYZGGMWUBJ-CKNOQMABSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@H]2CCCO2)cc(-c2nn[n-]n2)n1C ZINC000737212097 944991401 /nfs/dbraw/zinc/99/14/01/944991401.db2.gz HRPWYYZGGMWUBJ-CKNOQMABSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000737212543 944992406 /nfs/dbraw/zinc/99/24/06/944992406.db2.gz KUPYRLPYMOYARV-SUNVMROUSA-N -1 3 398.471 0.646 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCCN(C(N)=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000737212446 944993631 /nfs/dbraw/zinc/99/36/31/944993631.db2.gz JNSMYNJSNOTSDO-JYRVWZFOSA-N -1 3 383.416 0.034 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCCN(C(N)=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000737212446 944993634 /nfs/dbraw/zinc/99/36/34/944993634.db2.gz JNSMYNJSNOTSDO-JYRVWZFOSA-N -1 3 383.416 0.034 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)Cc2cccnc2)cc(-c2nn[n-]n2)n1C ZINC000737212641 944994296 /nfs/dbraw/zinc/99/42/96/944994296.db2.gz LRKYAFBJKTUULQ-AUWJEWJLSA-N -1 3 391.395 0.206 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000737212652 944994468 /nfs/dbraw/zinc/99/44/68/944994468.db2.gz LUPPHXPSGYTPHZ-UUSOHVMFSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212652 944994472 /nfs/dbraw/zinc/99/44/72/944994472.db2.gz LUPPHXPSGYTPHZ-UUSOHVMFSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCc3cncnc3C2)cc(-c2nnn[n-]2)n1C ZINC000737212849 944997097 /nfs/dbraw/zinc/99/70/97/944997097.db2.gz NCKWIQLGUQFVJP-LHHJGKSTSA-N -1 3 375.396 0.796 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCc3cncnc3C2)cc(-c2nn[n-]n2)n1C ZINC000737212849 944997104 /nfs/dbraw/zinc/99/71/04/944997104.db2.gz NCKWIQLGUQFVJP-LHHJGKSTSA-N -1 3 375.396 0.796 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCN(C(C)C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000737213836 945007580 /nfs/dbraw/zinc/00/75/80/945007580.db2.gz XRHZNQFYGWNXPC-WTWVRAIASA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCN(C(C)C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000737213836 945007590 /nfs/dbraw/zinc/00/75/90/945007590.db2.gz XRHZNQFYGWNXPC-WTWVRAIASA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCN2CCCCC2=O)cc(-c2nnn[n-]2)n1C ZINC000737214046 945012656 /nfs/dbraw/zinc/01/26/56/945012656.db2.gz ZUWKDRBHMXBWPX-XNTDXEJSSA-N -1 3 396.455 0.939 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCN2CCCCC2=O)cc(-c2nn[n-]n2)n1C ZINC000737214046 945012665 /nfs/dbraw/zinc/01/26/65/945012665.db2.gz ZUWKDRBHMXBWPX-XNTDXEJSSA-N -1 3 396.455 0.939 20 50 GCGDHM Cc1ccc(CCNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737337972 945044094 /nfs/dbraw/zinc/04/40/94/945044094.db2.gz VJGANWRCGSKGCX-UHFFFAOYSA-N -1 3 396.411 0.522 20 50 GCGDHM Cc1ccc(OCC(=O)NN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737364455 945048425 /nfs/dbraw/zinc/04/84/25/945048425.db2.gz KRKLKAAXDAPRQF-QGZVFWFLSA-N -1 3 395.423 0.710 20 50 GCGDHM Cc1ccc(OCC(=O)NN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737364455 945048440 /nfs/dbraw/zinc/04/84/40/945048440.db2.gz KRKLKAAXDAPRQF-QGZVFWFLSA-N -1 3 395.423 0.710 20 50 GCGDHM Cc1ccc(OCC(=O)NN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000737364453 945049246 /nfs/dbraw/zinc/04/92/46/945049246.db2.gz KRKLKAAXDAPRQF-KRWDZBQOSA-N -1 3 395.423 0.710 20 50 GCGDHM Cc1ccc(OCC(=O)NN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000737364453 945049252 /nfs/dbraw/zinc/04/92/52/945049252.db2.gz KRKLKAAXDAPRQF-KRWDZBQOSA-N -1 3 395.423 0.710 20 50 GCGDHM Cc1ccccc1C(=O)NNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737415207 945061798 /nfs/dbraw/zinc/06/17/98/945061798.db2.gz MLQXMKNXJHVUDR-UHFFFAOYSA-N -1 3 380.368 0.464 20 50 GCGDHM Cc1ccccc1C(=O)NNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737415207 945061810 /nfs/dbraw/zinc/06/18/10/945061810.db2.gz MLQXMKNXJHVUDR-UHFFFAOYSA-N -1 3 380.368 0.464 20 50 GCGDHM Cc1ccccc1[C@H](O)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737420513 945061967 /nfs/dbraw/zinc/06/19/67/945061967.db2.gz JNXURIYQSUQPHI-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccccc1[C@H](O)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737420513 945061977 /nfs/dbraw/zinc/06/19/77/945061977.db2.gz JNXURIYQSUQPHI-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM CC(C)n1nccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820219945 945388080 /nfs/dbraw/zinc/38/80/80/945388080.db2.gz LXBKOAKDAPWOHT-UHFFFAOYSA-N -1 3 398.383 0.262 20 50 GCGDHM CC(C)n1nccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820219945 945388086 /nfs/dbraw/zinc/38/80/86/945388086.db2.gz LXBKOAKDAPWOHT-UHFFFAOYSA-N -1 3 398.383 0.262 20 50 GCGDHM C[C@@H](CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC000820225419 945388607 /nfs/dbraw/zinc/38/86/07/945388607.db2.gz IIPUASYDQXIKQP-LBPRGKRZSA-N -1 3 397.395 0.624 20 50 GCGDHM C[C@@H](CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC000820225419 945388618 /nfs/dbraw/zinc/38/86/18/945388618.db2.gz IIPUASYDQXIKQP-LBPRGKRZSA-N -1 3 397.395 0.624 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCOC1 ZINC000820372834 945433925 /nfs/dbraw/zinc/43/39/25/945433925.db2.gz BZHGMCXLFCKINL-PWSUYJOCSA-N -1 3 375.389 0.001 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC000820373449 945434416 /nfs/dbraw/zinc/43/44/16/945434416.db2.gz HRZRVVVYEVMIMT-WDEREUQCSA-N -1 3 375.389 0.001 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000820373449 945434422 /nfs/dbraw/zinc/43/44/22/945434422.db2.gz HRZRVVVYEVMIMT-WDEREUQCSA-N -1 3 375.389 0.001 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1nnc2n1CCCC2 ZINC000820375062 945442255 /nfs/dbraw/zinc/44/22/55/945442255.db2.gz XFKPQLZPNJPLEX-JTQLQIEISA-N -1 3 396.415 0.500 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1nnc2n1CCCC2 ZINC000820375062 945442259 /nfs/dbraw/zinc/44/22/59/945442259.db2.gz XFKPQLZPNJPLEX-JTQLQIEISA-N -1 3 396.415 0.500 20 50 GCGDHM C[C@H](NS(C)(=O)=O)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820450032 945452963 /nfs/dbraw/zinc/45/29/63/945452963.db2.gz GCEAOHMJZUZANB-LURJTMIESA-N -1 3 393.351 0.266 20 50 GCGDHM C[C@H](NS(C)(=O)=O)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820450032 945452968 /nfs/dbraw/zinc/45/29/68/945452968.db2.gz GCEAOHMJZUZANB-LURJTMIESA-N -1 3 393.351 0.266 20 50 GCGDHM C[C@H](Sc1ccccn1)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820554922 945482849 /nfs/dbraw/zinc/48/28/49/945482849.db2.gz BOIBJKZUXXDOLF-NSHDSACASA-N -1 3 399.436 0.969 20 50 GCGDHM C[C@@H]1CC[C@@H](CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820683606 945524507 /nfs/dbraw/zinc/52/45/07/945524507.db2.gz DKBZLOMBNSSMRQ-VXGBXAGGSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CC[C@@H](CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820683606 945524514 /nfs/dbraw/zinc/52/45/14/945524514.db2.gz DKBZLOMBNSSMRQ-VXGBXAGGSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C)S1 ZINC000820752705 945550892 /nfs/dbraw/zinc/55/08/92/945550892.db2.gz PUYLEKDUMUXKKR-PHIMTYICSA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)S1 ZINC000820752705 945550896 /nfs/dbraw/zinc/55/08/96/945550896.db2.gz PUYLEKDUMUXKKR-PHIMTYICSA-N -1 3 375.458 0.454 20 50 GCGDHM CCC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000820837416 945565891 /nfs/dbraw/zinc/56/58/91/945565891.db2.gz ISMMJUXIVOISFB-LVOZBFFPSA-N -1 3 382.428 0.548 20 50 GCGDHM CCC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000820837416 945565893 /nfs/dbraw/zinc/56/58/93/945565893.db2.gz ISMMJUXIVOISFB-LVOZBFFPSA-N -1 3 382.428 0.548 20 50 GCGDHM CCNC(=O)N1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821286259 945663527 /nfs/dbraw/zinc/66/35/27/945663527.db2.gz PADWQIGPHJHGRQ-WTWVRAIASA-N -1 3 397.443 0.341 20 50 GCGDHM CCNC(=O)N1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821286259 945663535 /nfs/dbraw/zinc/66/35/35/945663535.db2.gz PADWQIGPHJHGRQ-WTWVRAIASA-N -1 3 397.443 0.341 20 50 GCGDHM CCc1noc(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821552917 945714627 /nfs/dbraw/zinc/71/46/27/945714627.db2.gz BEIJUSPKNAGRDK-UHFFFAOYSA-N -1 3 399.367 0.344 20 50 GCGDHM CCc1noc(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821552917 945714633 /nfs/dbraw/zinc/71/46/33/945714633.db2.gz BEIJUSPKNAGRDK-UHFFFAOYSA-N -1 3 399.367 0.344 20 50 GCGDHM CCn1nc(C)cc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821568086 945716482 /nfs/dbraw/zinc/71/64/82/945716482.db2.gz GPKTUWCSUYTMCD-UHFFFAOYSA-N -1 3 398.383 0.010 20 50 GCGDHM CCn1nc(C)cc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821568086 945716491 /nfs/dbraw/zinc/71/64/91/945716491.db2.gz GPKTUWCSUYTMCD-UHFFFAOYSA-N -1 3 398.383 0.010 20 50 GCGDHM CN(C)N(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000821588602 945728136 /nfs/dbraw/zinc/72/81/36/945728136.db2.gz ZWDYGYUPOVLIDY-VIFPVBQESA-N -1 3 386.384 0.251 20 50 GCGDHM CN(C)N(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000821588602 945728139 /nfs/dbraw/zinc/72/81/39/945728139.db2.gz ZWDYGYUPOVLIDY-VIFPVBQESA-N -1 3 386.384 0.251 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(C#N)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821593859 945732079 /nfs/dbraw/zinc/73/20/79/945732079.db2.gz NHVBVMGLSOBAIB-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM CN1CCN(CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000821627230 945756725 /nfs/dbraw/zinc/75/67/25/945756725.db2.gz SHLOBCCJYSATOK-UHFFFAOYSA-N -1 3 384.366 0.576 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644473 945767336 /nfs/dbraw/zinc/76/73/36/945767336.db2.gz ALLCGOQTIIAINX-CQSZACIVSA-N -1 3 397.351 0.924 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644473 945767343 /nfs/dbraw/zinc/76/73/43/945767343.db2.gz ALLCGOQTIIAINX-CQSZACIVSA-N -1 3 397.351 0.924 20 50 GCGDHM COC(=O)[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C[C@H]1C ZINC000821655088 945779331 /nfs/dbraw/zinc/77/93/31/945779331.db2.gz FCBPJANWKARLLO-CWTDUHOMSA-N -1 3 383.412 0.688 20 50 GCGDHM COC(=O)[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C[C@H]1C ZINC000821655088 945779334 /nfs/dbraw/zinc/77/93/34/945779334.db2.gz FCBPJANWKARLLO-CWTDUHOMSA-N -1 3 383.412 0.688 20 50 GCGDHM COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821672571 945791535 /nfs/dbraw/zinc/79/15/35/945791535.db2.gz PBQNKPBBPLBREC-LLVKDONJSA-N -1 3 391.432 0.780 20 50 GCGDHM COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821672571 945791542 /nfs/dbraw/zinc/79/15/42/945791542.db2.gz PBQNKPBBPLBREC-LLVKDONJSA-N -1 3 391.432 0.780 20 50 GCGDHM COCCOC[C@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821692168 945823244 /nfs/dbraw/zinc/82/32/44/945823244.db2.gz PUPDMSOOUUJTED-XTIFCCNPSA-N -1 3 399.455 0.932 20 50 GCGDHM COCCOC[C@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821692168 945823259 /nfs/dbraw/zinc/82/32/59/945823259.db2.gz PUPDMSOOUUJTED-XTIFCCNPSA-N -1 3 399.455 0.932 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821692358 945824098 /nfs/dbraw/zinc/82/40/98/945824098.db2.gz VSDQJZFDAQIBKH-GHMZBOCLSA-N -1 3 377.405 0.310 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821692358 945824104 /nfs/dbraw/zinc/82/41/04/945824104.db2.gz VSDQJZFDAQIBKH-GHMZBOCLSA-N -1 3 377.405 0.310 20 50 GCGDHM COc1ccc(C=NNC(=O)c2cncc(NC(C)=O)c2)cc1-c1nnn[n-]1 ZINC000821786592 945866502 /nfs/dbraw/zinc/86/65/02/945866502.db2.gz GADSVTVZRGZONZ-UHFFFAOYSA-N -1 3 380.368 0.993 20 50 GCGDHM COc1ccc(C=NNC(=O)c2cncc(NC(C)=O)c2)cc1-c1nn[n-]n1 ZINC000821786592 945866518 /nfs/dbraw/zinc/86/65/18/945866518.db2.gz GADSVTVZRGZONZ-UHFFFAOYSA-N -1 3 380.368 0.993 20 50 GCGDHM COc1ccc(NC(=S)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000821835802 945880340 /nfs/dbraw/zinc/88/03/40/945880340.db2.gz RWHMYZGPFBUXIQ-UHFFFAOYSA-N -1 3 384.425 0.831 20 50 GCGDHM COc1ccc(NC(=S)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821835802 945880355 /nfs/dbraw/zinc/88/03/55/945880355.db2.gz RWHMYZGPFBUXIQ-UHFFFAOYSA-N -1 3 384.425 0.831 20 50 GCGDHM COc1ccccc1OCC(=O)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821904123 945902921 /nfs/dbraw/zinc/90/29/21/945902921.db2.gz QSGJREHLONPKCO-UHFFFAOYSA-N -1 3 382.380 0.644 20 50 GCGDHM COc1ccccc1OCC(=O)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821904123 945902937 /nfs/dbraw/zinc/90/29/37/945902937.db2.gz QSGJREHLONPKCO-UHFFFAOYSA-N -1 3 382.380 0.644 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc(-c2nnn[n-]2)n1C ZINC000822027601 945934244 /nfs/dbraw/zinc/93/42/44/945934244.db2.gz IQCRFGOIKQYWSL-SHJIAEMYSA-N -1 3 394.439 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc(-c2nn[n-]n2)n1C ZINC000822027601 945934253 /nfs/dbraw/zinc/93/42/53/945934253.db2.gz IQCRFGOIKQYWSL-SHJIAEMYSA-N -1 3 394.439 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCn2cc([N+](=O)[O-])cn2)cc(-c2nn[n-]n2)n1C ZINC000822027881 945937542 /nfs/dbraw/zinc/93/75/42/945937542.db2.gz KGUQFFFEQBQMAA-XGICHPGQSA-N -1 3 397.355 0.769 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc(-c2nn[n-]n2)n1C ZINC000822028015 945938792 /nfs/dbraw/zinc/93/87/92/945938792.db2.gz KSEOEENJTAVGAU-MECSIWFOSA-N -1 3 377.412 0.817 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCNC(=O)C2CCC2)cc(-c2nnn[n-]2)n1C ZINC000822027978 945939061 /nfs/dbraw/zinc/93/90/61/945939061.db2.gz KQNLXNGUPPLNLS-OQLLNIDSSA-N -1 3 396.455 0.843 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCNC(=O)C2CCC2)cc(-c2nn[n-]n2)n1C ZINC000822027978 945939074 /nfs/dbraw/zinc/93/90/74/945939074.db2.gz KQNLXNGUPPLNLS-OQLLNIDSSA-N -1 3 396.455 0.843 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN([C@@H]3CCOC3)CC2)cc(-c2nn[n-]n2)n1C ZINC000822027961 945939191 /nfs/dbraw/zinc/93/91/91/945939191.db2.gz KPDSXDWLIIYGRI-HTRKUNOGSA-N -1 3 396.455 0.354 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc(-c2nn[n-]n2)n1C ZINC000822028374 945941818 /nfs/dbraw/zinc/94/18/18/945941818.db2.gz NQVPPNSCOIMKQE-LFYBBSHMSA-N -1 3 396.371 0.342 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC3(CNC(=O)C3)CC2)cc(-c2nnn[n-]2)n1C ZINC000822028354 945942346 /nfs/dbraw/zinc/94/23/46/945942346.db2.gz NHMVBQQKKXALKN-VGOFMYFVSA-N -1 3 394.439 0.549 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC3(CNC(=O)C3)CC2)cc(-c2nn[n-]n2)n1C ZINC000822028354 945942357 /nfs/dbraw/zinc/94/23/57/945942357.db2.gz NHMVBQQKKXALKN-VGOFMYFVSA-N -1 3 394.439 0.549 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)COCC2CC2)cc(-c2nnn[n-]2)n1C ZINC000822028638 945946184 /nfs/dbraw/zinc/94/61/84/945946184.db2.gz REWNRHMZMMDEFX-NUKWSGDCSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)COCC2CC2)cc(-c2nn[n-]n2)n1C ZINC000822028638 945946188 /nfs/dbraw/zinc/94/61/88/945946188.db2.gz REWNRHMZMMDEFX-NUKWSGDCSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC(OCC(F)F)C2)cc(-c2nnn[n-]2)n1C ZINC000822028595 945947092 /nfs/dbraw/zinc/94/70/92/945947092.db2.gz QSQKOJGGBSXMAQ-JYOAFUTRSA-N -1 3 377.355 0.913 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC(OCC(F)F)C2)cc(-c2nn[n-]n2)n1C ZINC000822028595 945947099 /nfs/dbraw/zinc/94/70/99/945947099.db2.gz QSQKOJGGBSXMAQ-JYOAFUTRSA-N -1 3 377.355 0.913 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2C(=S)N=NC2C)cc(-c2nnn[n-]2)n1C ZINC000822029004 945948807 /nfs/dbraw/zinc/94/88/07/945948807.db2.gz UGYXYBJNVQUITG-SDQBBNPISA-N -1 3 398.456 0.426 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2C(=S)N=NC2C)cc(-c2nn[n-]n2)n1C ZINC000822029004 945948815 /nfs/dbraw/zinc/94/88/15/945948815.db2.gz UGYXYBJNVQUITG-SDQBBNPISA-N -1 3 398.456 0.426 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)S(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822029086 945952526 /nfs/dbraw/zinc/95/25/26/945952526.db2.gz VIRBTBCDPQWMFY-SDQBBNPISA-N -1 3 391.457 0.360 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)S(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822029086 945952538 /nfs/dbraw/zinc/95/25/38/945952538.db2.gz VIRBTBCDPQWMFY-SDQBBNPISA-N -1 3 391.457 0.360 20 50 GCGDHM Cc1cc(N)nc(SCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822205984 945990774 /nfs/dbraw/zinc/99/07/74/945990774.db2.gz PRVAZSZZRNTTGB-UHFFFAOYSA-N -1 3 385.413 0.101 20 50 GCGDHM Cc1cc(N)nc(SCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822205984 945990780 /nfs/dbraw/zinc/99/07/80/945990780.db2.gz PRVAZSZZRNTTGB-UHFFFAOYSA-N -1 3 385.413 0.101 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1O ZINC000822227577 946008192 /nfs/dbraw/zinc/00/81/92/946008192.db2.gz NOECEGKNFNOJLP-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1O ZINC000822227577 946008200 /nfs/dbraw/zinc/00/82/00/946008200.db2.gz NOECEGKNFNOJLP-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822227715 946009267 /nfs/dbraw/zinc/00/92/67/946009267.db2.gz SXQIPVRGUQUGAM-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822227715 946009278 /nfs/dbraw/zinc/00/92/78/946009278.db2.gz SXQIPVRGUQUGAM-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1ccc([C@H](C)C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822227547 946009328 /nfs/dbraw/zinc/00/93/28/946009328.db2.gz MUFPHGABHBCYAA-NSHDSACASA-N -1 3 398.379 0.876 20 50 GCGDHM Cc1ccc([C@H](C)C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822227547 946009337 /nfs/dbraw/zinc/00/93/37/946009337.db2.gz MUFPHGABHBCYAA-NSHDSACASA-N -1 3 398.379 0.876 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822284312 946044322 /nfs/dbraw/zinc/04/43/22/946044322.db2.gz OGTXARUENRNNES-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822284312 946044332 /nfs/dbraw/zinc/04/43/32/946044332.db2.gz OGTXARUENRNNES-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1O ZINC000822288769 946045243 /nfs/dbraw/zinc/04/52/43/946045243.db2.gz JFKNGXZNZZYMAI-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000822288769 946045256 /nfs/dbraw/zinc/04/52/56/946045256.db2.gz JFKNGXZNZZYMAI-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822356605 946068275 /nfs/dbraw/zinc/06/82/75/946068275.db2.gz VQSMKOLLKQPZPG-UHFFFAOYSA-N -1 3 393.407 0.295 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822356605 946068290 /nfs/dbraw/zinc/06/82/90/946068290.db2.gz VQSMKOLLKQPZPG-UHFFFAOYSA-N -1 3 393.407 0.295 20 50 GCGDHM Cc1ccsc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822378647 946074916 /nfs/dbraw/zinc/07/49/16/946074916.db2.gz CEUDWHSXQXYRME-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1ccsc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822378647 946074929 /nfs/dbraw/zinc/07/49/29/946074929.db2.gz CEUDWHSXQXYRME-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822463388 946098145 /nfs/dbraw/zinc/09/81/45/946098145.db2.gz PQODMICPVADKHE-LBPRGKRZSA-N -1 3 382.388 0.246 20 50 GCGDHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822463388 946098152 /nfs/dbraw/zinc/09/81/52/946098152.db2.gz PQODMICPVADKHE-LBPRGKRZSA-N -1 3 382.388 0.246 20 50 GCGDHM Cc1nn(C)c(C)c1CN(C)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822491992 946103894 /nfs/dbraw/zinc/10/38/94/946103894.db2.gz MQRUDHLOLVFXCI-UHFFFAOYSA-N -1 3 397.443 0.110 20 50 GCGDHM Cc1nn(C)c(C)c1CN(C)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822491992 946103904 /nfs/dbraw/zinc/10/39/04/946103904.db2.gz MQRUDHLOLVFXCI-UHFFFAOYSA-N -1 3 397.443 0.110 20 50 GCGDHM Cn1cc(C[C@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000822673901 946151382 /nfs/dbraw/zinc/15/13/82/946151382.db2.gz GBHGUHHSYUJDBK-GFCCVEGCSA-N -1 3 395.427 0.519 20 50 GCGDHM Cn1cc(C[C@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000822673901 946151389 /nfs/dbraw/zinc/15/13/89/946151389.db2.gz GBHGUHHSYUJDBK-GFCCVEGCSA-N -1 3 395.427 0.519 20 50 GCGDHM Cn1ccnc(NNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000822693826 946161529 /nfs/dbraw/zinc/16/15/29/946161529.db2.gz KYGRQVJWQQWGNT-UHFFFAOYSA-N -1 3 384.400 0.653 20 50 GCGDHM Cn1ccnc(NNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000822693826 946161535 /nfs/dbraw/zinc/16/15/35/946161535.db2.gz KYGRQVJWQQWGNT-UHFFFAOYSA-N -1 3 384.400 0.653 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000822823328 946197536 /nfs/dbraw/zinc/19/75/36/946197536.db2.gz OQIRWGJLCCECHF-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000822823328 946197541 /nfs/dbraw/zinc/19/75/41/946197541.db2.gz OQIRWGJLCCECHF-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM N#Cc1ccc(OCCNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822832893 946198659 /nfs/dbraw/zinc/19/86/59/946198659.db2.gz IEMGBPUZTCKJIW-UHFFFAOYSA-N -1 3 392.379 0.761 20 50 GCGDHM N#Cc1ccc(OCCNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822832893 946198669 /nfs/dbraw/zinc/19/86/69/946198669.db2.gz IEMGBPUZTCKJIW-UHFFFAOYSA-N -1 3 392.379 0.761 20 50 GCGDHM Nc1c(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822904040 946216434 /nfs/dbraw/zinc/21/64/34/946216434.db2.gz RZUUEKWDKHIQQT-UHFFFAOYSA-N -1 3 398.339 0.197 20 50 GCGDHM O=C(CN1CC[C@H](c2ccco2)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822993734 946251543 /nfs/dbraw/zinc/25/15/43/946251543.db2.gz XKNJUNZXXWGJAI-AWEZNQCLSA-N -1 3 381.396 0.710 20 50 GCGDHM O=C(CN1CC[C@H](c2ccco2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822993734 946251553 /nfs/dbraw/zinc/25/15/53/946251553.db2.gz XKNJUNZXXWGJAI-AWEZNQCLSA-N -1 3 381.396 0.710 20 50 GCGDHM O=C(CN1CCC[C@@H](C(F)(F)F)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822996307 946253640 /nfs/dbraw/zinc/25/36/40/946253640.db2.gz BPTBRVUHYVUTPO-GFCCVEGCSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(CN1CCC[C@@H](C(F)(F)F)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822996307 946253649 /nfs/dbraw/zinc/25/36/49/946253649.db2.gz BPTBRVUHYVUTPO-GFCCVEGCSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822996543 946255139 /nfs/dbraw/zinc/25/51/39/946255139.db2.gz HHXXLTSMBQDERH-CQSZACIVSA-N -1 3 395.427 0.230 20 50 GCGDHM O=C(CN1CCC[C@H](n2ccnc2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822997906 946258953 /nfs/dbraw/zinc/25/89/53/946258953.db2.gz XLNPDTDVMYWIIT-HNNXBMFYSA-N -1 3 395.427 0.161 20 50 GCGDHM O=C(CN1CCc2ccccc2C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823002530 946262178 /nfs/dbraw/zinc/26/21/78/946262178.db2.gz ZUBRUGQOUYADGP-UHFFFAOYSA-N -1 3 377.408 0.686 20 50 GCGDHM O=C(CN1CCc2ccccc2C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823002530 946262189 /nfs/dbraw/zinc/26/21/89/946262189.db2.gz ZUBRUGQOUYADGP-UHFFFAOYSA-N -1 3 377.408 0.686 20 50 GCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cn2ccccc2n1 ZINC000823009269 946263759 /nfs/dbraw/zinc/26/37/59/946263759.db2.gz BKEQMDNBUMAOLM-UHFFFAOYSA-N -1 3 391.395 0.316 20 50 GCGDHM O=C(COC(=O)C(F)=C1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823014444 946267252 /nfs/dbraw/zinc/26/72/52/946267252.db2.gz MWKJSIRGAHSFJH-UHFFFAOYSA-N -1 3 388.359 0.969 20 50 GCGDHM O=C(COC(=O)C(F)=C1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823014444 946267263 /nfs/dbraw/zinc/26/72/63/946267263.db2.gz MWKJSIRGAHSFJH-UHFFFAOYSA-N -1 3 388.359 0.969 20 50 GCGDHM O=C(COC(=O)CC[C@H]1CCCO1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823017832 946270755 /nfs/dbraw/zinc/27/07/55/946270755.db2.gz CUDPYCYHGIZMKQ-CYBMUJFWSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)CC[C@H]1CCCO1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823017832 946270766 /nfs/dbraw/zinc/27/07/66/946270766.db2.gz CUDPYCYHGIZMKQ-CYBMUJFWSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(C=C(C1CC1)C1CC1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823017925 946271775 /nfs/dbraw/zinc/27/17/75/946271775.db2.gz FQQBOFXEBMKMOL-UHFFFAOYSA-N -1 3 396.407 0.917 20 50 GCGDHM O=C(C=C(C1CC1)C1CC1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823017925 946271787 /nfs/dbraw/zinc/27/17/87/946271787.db2.gz FQQBOFXEBMKMOL-UHFFFAOYSA-N -1 3 396.407 0.917 20 50 GCGDHM O=C(COC(=O)[C@H]1Cc2ccccc21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018585 946272657 /nfs/dbraw/zinc/27/26/57/946272657.db2.gz SJCQHWTYWAZIDD-HNNXBMFYSA-N -1 3 392.375 0.511 20 50 GCGDHM O=C(COC(=O)[C@H]1Cc2ccccc21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018585 946272666 /nfs/dbraw/zinc/27/26/66/946272666.db2.gz SJCQHWTYWAZIDD-HNNXBMFYSA-N -1 3 392.375 0.511 20 50 GCGDHM O=C(COC(=O)[C@@H]1CCCS1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018882 946274776 /nfs/dbraw/zinc/27/47/76/946274776.db2.gz ZSPCWFAMZCXDAG-NSHDSACASA-N -1 3 376.398 0.067 20 50 GCGDHM O=C(COC(=O)[C@@H]1CCCS1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018882 946274787 /nfs/dbraw/zinc/27/47/87/946274787.db2.gz ZSPCWFAMZCXDAG-NSHDSACASA-N -1 3 376.398 0.067 20 50 GCGDHM O=C(COC(=O)Cc1cccc(O)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823023276 946278341 /nfs/dbraw/zinc/27/83/41/946278341.db2.gz YXVIWSBIJCLMHS-UHFFFAOYSA-N -1 3 396.363 0.119 20 50 GCGDHM O=C(COC(=O)Cc1cccc(O)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823023276 946278352 /nfs/dbraw/zinc/27/83/52/946278352.db2.gz YXVIWSBIJCLMHS-UHFFFAOYSA-N -1 3 396.363 0.119 20 50 GCGDHM O=C(COC(=O)c1ccnc(F)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823026962 946280866 /nfs/dbraw/zinc/28/08/66/946280866.db2.gz KHLKPZDOGSEFJX-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COC(=O)c1ccnc(F)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823026962 946280877 /nfs/dbraw/zinc/28/08/77/946280877.db2.gz KHLKPZDOGSEFJX-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@@H]1CCC(F)(F)C1 ZINC000823049686 946294822 /nfs/dbraw/zinc/29/48/22/946294822.db2.gz HZSLXBCDFLQDGG-SECBINFHSA-N -1 3 381.343 0.764 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@@H]1CCC(F)(F)C1 ZINC000823049686 946294831 /nfs/dbraw/zinc/29/48/31/946294831.db2.gz HZSLXBCDFLQDGG-SECBINFHSA-N -1 3 381.343 0.764 20 50 GCGDHM O=C(CSc1ccc(Cl)nn1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823066083 946300724 /nfs/dbraw/zinc/30/07/24/946300724.db2.gz LISAOWLPTLGDMU-UHFFFAOYSA-N -1 3 390.816 0.863 20 50 GCGDHM O=C(CSc1ccc(Cl)nn1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823066083 946300732 /nfs/dbraw/zinc/30/07/32/946300732.db2.gz LISAOWLPTLGDMU-UHFFFAOYSA-N -1 3 390.816 0.863 20 50 GCGDHM O=C(Cc1ccsc1)NNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823115597 946319227 /nfs/dbraw/zinc/31/92/27/946319227.db2.gz RUXRCCKDDHWUAA-UHFFFAOYSA-N -1 3 387.425 0.880 20 50 GCGDHM O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823136004 946326519 /nfs/dbraw/zinc/32/65/19/946326519.db2.gz FLJSHRKFUVGSGQ-UHFFFAOYSA-N -1 3 380.397 0.732 20 50 GCGDHM O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823136004 946326530 /nfs/dbraw/zinc/32/65/30/946326530.db2.gz FLJSHRKFUVGSGQ-UHFFFAOYSA-N -1 3 380.397 0.732 20 50 GCGDHM O=C(NCC[C@@H](O)c1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823182982 946337230 /nfs/dbraw/zinc/33/72/30/946337230.db2.gz QROPUJVRHJWMEM-OAHLLOKOSA-N -1 3 381.396 0.934 20 50 GCGDHM O=C(NCC[C@@H](O)c1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823182982 946337243 /nfs/dbraw/zinc/33/72/43/946337243.db2.gz QROPUJVRHJWMEM-OAHLLOKOSA-N -1 3 381.396 0.934 20 50 GCGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)N[C@@H]1CCS(=O)(=O)C1 ZINC000823269795 946367278 /nfs/dbraw/zinc/36/72/78/946367278.db2.gz PDJYIKGACHINHO-LLVKDONJSA-N -1 3 388.413 0.168 20 50 GCGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)N[C@@H]1CCS(=O)(=O)C1 ZINC000823269795 946367286 /nfs/dbraw/zinc/36/72/86/946367286.db2.gz PDJYIKGACHINHO-LLVKDONJSA-N -1 3 388.413 0.168 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277279 946399334 /nfs/dbraw/zinc/39/93/34/946399334.db2.gz IUXQDAACQRSQQD-ZDUSSCGKSA-N -1 3 385.306 0.220 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277279 946399346 /nfs/dbraw/zinc/39/93/46/946399346.db2.gz IUXQDAACQRSQQD-ZDUSSCGKSA-N -1 3 385.306 0.220 20 50 GCGDHM C[C@@H](NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cncc(F)c1 ZINC000824563454 946802423 /nfs/dbraw/zinc/80/24/23/946802423.db2.gz OSGAYSLZQFRZBY-SNVBAGLBSA-N -1 3 384.375 0.513 20 50 GCGDHM COC1(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000826143774 947448390 /nfs/dbraw/zinc/44/83/90/947448390.db2.gz PBNZEOQEYFLDAI-UHFFFAOYSA-N -1 3 375.389 0.006 20 50 GCGDHM COC1(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000826143774 947448400 /nfs/dbraw/zinc/44/84/00/947448400.db2.gz PBNZEOQEYFLDAI-UHFFFAOYSA-N -1 3 375.389 0.006 20 50 GCGDHM Cc1cn2c(n1)CN(C(=O)C(C#N)=Cc1cc(-c3nnn[n-]3)n(C)c1C)CC2 ZINC000826316945 947925427 /nfs/dbraw/zinc/92/54/27/947925427.db2.gz GEDHQMQWYGQGNN-NSIKDUERSA-N -1 3 377.412 0.968 20 50 GCGDHM Cc1cn2c(n1)CN(C(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)CC2 ZINC000826316945 947925430 /nfs/dbraw/zinc/92/54/30/947925430.db2.gz GEDHQMQWYGQGNN-NSIKDUERSA-N -1 3 377.412 0.968 20 50 GCGDHM O=C(CN1CCC([C@@H]2CCOC2)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410151 948245479 /nfs/dbraw/zinc/24/54/79/948245479.db2.gz DQCIPPCMSLNSSY-MRXNPFEDSA-N -1 3 399.455 0.376 20 50 GCGDHM O=C(CN1CCC([C@H]2CCOC2)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410150 948245912 /nfs/dbraw/zinc/24/59/12/948245912.db2.gz DQCIPPCMSLNSSY-INIZCTEOSA-N -1 3 399.455 0.376 20 50 GCGDHM O=C(NCCOc1ncccc1F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439296 948297133 /nfs/dbraw/zinc/29/71/33/948297133.db2.gz NULZVYPGJKBDSS-UHFFFAOYSA-N -1 3 386.347 0.424 20 50 GCGDHM O=C(NCCOc1ncccc1F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439296 948297147 /nfs/dbraw/zinc/29/71/47/948297147.db2.gz NULZVYPGJKBDSS-UHFFFAOYSA-N -1 3 386.347 0.424 20 50 GCGDHM O=S(=O)(CBr)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826484112 948399848 /nfs/dbraw/zinc/39/98/48/948399848.db2.gz NXXQGLJLNLCIEN-NSHDSACASA-N -1 3 388.247 0.922 20 50 GCGDHM O=S(=O)(CBr)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826484112 948399858 /nfs/dbraw/zinc/39/98/58/948399858.db2.gz NXXQGLJLNLCIEN-NSHDSACASA-N -1 3 388.247 0.922 20 50 GCGDHM CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001573863759 950484464 /nfs/dbraw/zinc/48/44/64/950484464.db2.gz PKAUVVCBIVUIAJ-CHWSQXEVSA-N -1 3 386.412 0.996 20 50 GCGDHM CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001573863759 950484471 /nfs/dbraw/zinc/48/44/71/950484471.db2.gz PKAUVVCBIVUIAJ-CHWSQXEVSA-N -1 3 386.412 0.996 20 50 GCGDHM O=C([O-])C[NH+]1CCC(NC(=O)N[N-]C(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC001595076617 951647197 /nfs/dbraw/zinc/64/71/97/951647197.db2.gz BIAHXROUXDWHNN-UHFFFAOYSA-N -1 3 386.412 0.365 20 50 GCGDHM C[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000824039231 607335010 /nfs/dbraw/zinc/33/50/10/607335010.db2.gz CSBLDFOGUYYVND-LEWSCRJBSA-N -1 3 383.412 0.874 20 50 GCGDHM C[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000824039231 607335012 /nfs/dbraw/zinc/33/50/12/607335012.db2.gz CSBLDFOGUYYVND-LEWSCRJBSA-N -1 3 383.412 0.874 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000826479187 607342463 /nfs/dbraw/zinc/34/24/63/607342463.db2.gz SMWIIZFHHUMSMC-CQSZACIVSA-N -1 3 391.391 0.829 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826446342 607353200 /nfs/dbraw/zinc/35/32/00/607353200.db2.gz IIGQGBSPAVCGFY-CYBMUJFWSA-N -1 3 378.396 0.754 20 50 GCGDHM CS(=O)(=O)c1ccc(NNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826224020 607357494 /nfs/dbraw/zinc/35/74/94/607357494.db2.gz KRAMEZZZZLETPH-UHFFFAOYSA-N -1 3 387.425 0.825 20 50 GCGDHM CN1CC(=O)N(CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1=O ZINC000826018269 607394279 /nfs/dbraw/zinc/39/42/79/607394279.db2.gz UGAHNTWVTJFOHC-UHFFFAOYSA-N -1 3 398.305 0.223 20 50 GCGDHM CN1CC(=O)N(CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1=O ZINC000826018269 607394281 /nfs/dbraw/zinc/39/42/81/607394281.db2.gz UGAHNTWVTJFOHC-UHFFFAOYSA-N -1 3 398.305 0.223 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2(CO)CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000826236152 607427184 /nfs/dbraw/zinc/42/71/84/607427184.db2.gz ZXZXGCQWZXUBPU-AUWJEWJLSA-N -1 3 385.428 0.326 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2(CO)CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000826236152 607427185 /nfs/dbraw/zinc/42/71/85/607427185.db2.gz ZXZXGCQWZXUBPU-AUWJEWJLSA-N -1 3 385.428 0.326 20 50 GCGDHM CCOCCO[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825599860 607537059 /nfs/dbraw/zinc/53/70/59/607537059.db2.gz SOYJGXMIKYDMBT-AWEZNQCLSA-N -1 3 389.416 0.349 20 50 GCGDHM CCOCCO[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825599860 607537061 /nfs/dbraw/zinc/53/70/61/607537061.db2.gz SOYJGXMIKYDMBT-AWEZNQCLSA-N -1 3 389.416 0.349 20 50 GCGDHM COC1(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCOCC1 ZINC000826143698 607632352 /nfs/dbraw/zinc/63/23/52/607632352.db2.gz LUGDKZJVGLZURT-ZSOIEALJSA-N -1 3 385.428 0.732 20 50 GCGDHM COC1(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCOCC1 ZINC000826143698 607632354 /nfs/dbraw/zinc/63/23/54/607632354.db2.gz LUGDKZJVGLZURT-ZSOIEALJSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 ZINC000826249406 607650328 /nfs/dbraw/zinc/65/03/28/607650328.db2.gz AXXDDEQYFQWHDC-UHFFFAOYSA-N -1 3 390.367 0.226 20 50 GCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 ZINC000826249406 607650330 /nfs/dbraw/zinc/65/03/30/607650330.db2.gz AXXDDEQYFQWHDC-UHFFFAOYSA-N -1 3 390.367 0.226 20 50 GCGDHM CCc1c(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[nH]c(C)c1C(N)=O ZINC000825687549 607684012 /nfs/dbraw/zinc/68/40/12/607684012.db2.gz JCVCESCVGJWKFB-UHFFFAOYSA-N -1 3 382.384 0.239 20 50 GCGDHM CCc1c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[nH]c(C)c1C(N)=O ZINC000825687549 607684013 /nfs/dbraw/zinc/68/40/13/607684013.db2.gz JCVCESCVGJWKFB-UHFFFAOYSA-N -1 3 382.384 0.239 20 50 GCGDHM Cn1c2cc(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc2[nH]c1=O ZINC000826354429 607713413 /nfs/dbraw/zinc/71/34/13/607713413.db2.gz CNUDSDQSXPNNRF-UHFFFAOYSA-N -1 3 378.352 0.534 20 50 GCGDHM Cn1c2cc(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc2[nH]c1=O ZINC000826354429 607713415 /nfs/dbraw/zinc/71/34/15/607713415.db2.gz CNUDSDQSXPNNRF-UHFFFAOYSA-N -1 3 378.352 0.534 20 50 GCGDHM CS(=O)(=O)c1nc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c2ccccn21 ZINC000826224931 607725870 /nfs/dbraw/zinc/72/58/70/607725870.db2.gz PIFASCKYDPRKTA-UHFFFAOYSA-N -1 3 398.408 0.675 20 50 GCGDHM CS(=O)(=O)c1nc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccn21 ZINC000826224931 607725872 /nfs/dbraw/zinc/72/58/72/607725872.db2.gz PIFASCKYDPRKTA-UHFFFAOYSA-N -1 3 398.408 0.675 20 50 GCGDHM O=C(CCn1nnc2ccccc2c1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409793 607726733 /nfs/dbraw/zinc/72/67/33/607726733.db2.gz PJCQWFMFKUHTKI-UHFFFAOYSA-N -1 3 377.368 0.505 20 50 GCGDHM O=C(CCn1nnc2ccccc2c1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409793 607726735 /nfs/dbraw/zinc/72/67/35/607726735.db2.gz PJCQWFMFKUHTKI-UHFFFAOYSA-N -1 3 377.368 0.505 20 50 GCGDHM O=C(Cn1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1)NC1CCCC1 ZINC000826424406 607731786 /nfs/dbraw/zinc/73/17/86/607731786.db2.gz LECQDRPUFQZACF-UHFFFAOYSA-N -1 3 395.427 0.879 20 50 GCGDHM O=C(Cn1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1)NC1CCCC1 ZINC000826424406 607731788 /nfs/dbraw/zinc/73/17/88/607731788.db2.gz LECQDRPUFQZACF-UHFFFAOYSA-N -1 3 395.427 0.879 20 50 GCGDHM CCC(CC)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000825089637 607757532 /nfs/dbraw/zinc/75/75/32/607757532.db2.gz JTUMYPHGKJGITK-UHFFFAOYSA-N -1 3 389.416 0.790 20 50 GCGDHM CCC(CC)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825089637 607757533 /nfs/dbraw/zinc/75/75/33/607757533.db2.gz JTUMYPHGKJGITK-UHFFFAOYSA-N -1 3 389.416 0.790 20 50 GCGDHM O=C(NNC(=O)N1CCC(Cn2ccnn2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444398 607793356 /nfs/dbraw/zinc/79/33/56/607793356.db2.gz DWFWDUXBAVIPIG-UHFFFAOYSA-N -1 3 396.415 0.225 20 50 GCGDHM O=C(NNC(=O)N1CCC(Cn2ccnn2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444398 607793357 /nfs/dbraw/zinc/79/33/57/607793357.db2.gz DWFWDUXBAVIPIG-UHFFFAOYSA-N -1 3 396.415 0.225 20 50 GCGDHM Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826286530 607827372 /nfs/dbraw/zinc/82/73/72/607827372.db2.gz GDLQGJHLXVGWJT-UHFFFAOYSA-N -1 3 384.352 0.315 20 50 GCGDHM Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826286530 607827373 /nfs/dbraw/zinc/82/73/73/607827373.db2.gz GDLQGJHLXVGWJT-UHFFFAOYSA-N -1 3 384.352 0.315 20 50 GCGDHM O=C(NNC(=O)N1CC[C@H](C2CCOCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444310 607854851 /nfs/dbraw/zinc/85/48/51/607854851.db2.gz ALORBBJPOJVUPO-HNNXBMFYSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CC[C@H](C2CCOCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444310 607854852 /nfs/dbraw/zinc/85/48/52/607854852.db2.gz ALORBBJPOJVUPO-HNNXBMFYSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)c1csc(N2CCOCC2)n1 ZINC000826444714 607883179 /nfs/dbraw/zinc/88/31/79/607883179.db2.gz RDLDYBRVXJYEHO-UHFFFAOYSA-N -1 3 384.425 0.924 20 50 GCGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)c1csc(N2CCOCC2)n1 ZINC000826444714 607883180 /nfs/dbraw/zinc/88/31/80/607883180.db2.gz RDLDYBRVXJYEHO-UHFFFAOYSA-N -1 3 384.425 0.924 20 50 GCGDHM CN1CCN(c2ncc(C=NNC(=O)c3cccc(-c4nn[n-]n4)c3)cn2)CC1 ZINC000826045328 607888690 /nfs/dbraw/zinc/88/86/90/607888690.db2.gz UXOUAHLRDKNRPJ-UHFFFAOYSA-N -1 3 392.427 0.172 20 50 GCGDHM Cc1cc([C@@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000826265873 607920752 /nfs/dbraw/zinc/92/07/52/607920752.db2.gz RBTOTUDEUBUCCN-HNNXBMFYSA-N -1 3 396.411 0.761 20 50 GCGDHM Cc1cc([C@@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000826265873 607920753 /nfs/dbraw/zinc/92/07/53/607920753.db2.gz RBTOTUDEUBUCCN-HNNXBMFYSA-N -1 3 396.411 0.761 20 50 GCGDHM O=C(CN1CCOc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411164 607921731 /nfs/dbraw/zinc/92/17/31/607921731.db2.gz NPBUJXJJDGODAR-UHFFFAOYSA-N -1 3 379.380 0.527 20 50 GCGDHM O=C(CN1CCOc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411164 607921732 /nfs/dbraw/zinc/92/17/32/607921732.db2.gz NPBUJXJJDGODAR-UHFFFAOYSA-N -1 3 379.380 0.527 20 50 GCGDHM C#Cc1cccc(N(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000823861902 607922310 /nfs/dbraw/zinc/92/23/10/607922310.db2.gz SOQMWLQDHFHOMI-UHFFFAOYSA-N -1 3 375.392 0.745 20 50 GCGDHM C#Cc1cccc(N(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000823861902 607922311 /nfs/dbraw/zinc/92/23/11/607922311.db2.gz SOQMWLQDHFHOMI-UHFFFAOYSA-N -1 3 375.392 0.745 20 50 GCGDHM Cc1nc([C@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000826325349 607922971 /nfs/dbraw/zinc/92/29/71/607922971.db2.gz UYSHEAHDSHSNOL-CYBMUJFWSA-N -1 3 397.399 0.156 20 50 GCGDHM Cc1nc([C@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000826325349 607922972 /nfs/dbraw/zinc/92/29/72/607922972.db2.gz UYSHEAHDSHSNOL-CYBMUJFWSA-N -1 3 397.399 0.156 20 50 GCGDHM CC[C@@](C)(NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000825044420 607925187 /nfs/dbraw/zinc/92/51/87/607925187.db2.gz QCFRGVCSLWMCJN-CQSZACIVSA-N -1 3 385.350 0.948 20 50 GCGDHM CC[C@@](C)(NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000825044420 607925188 /nfs/dbraw/zinc/92/51/88/607925188.db2.gz QCFRGVCSLWMCJN-CQSZACIVSA-N -1 3 385.350 0.948 20 50 GCGDHM CC[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC000825133136 607927848 /nfs/dbraw/zinc/92/78/48/607927848.db2.gz JVKFLOBLGZFEIA-KGLIPLIRSA-N -1 3 389.416 0.534 20 50 GCGDHM CC[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000825134620 607927883 /nfs/dbraw/zinc/92/78/83/607927883.db2.gz VQHHOLUHAGUTTJ-TZMCWYRMSA-N -1 3 389.416 0.534 20 50 GCGDHM CC[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000825134620 607927884 /nfs/dbraw/zinc/92/78/84/607927884.db2.gz VQHHOLUHAGUTTJ-TZMCWYRMSA-N -1 3 389.416 0.534 20 50 GCGDHM Cc1cncc(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000826319664 608033288 /nfs/dbraw/zinc/03/32/88/608033288.db2.gz MKCMRHDPXMUIAV-UHFFFAOYSA-N -1 3 382.384 0.480 20 50 GCGDHM Cc1cncc(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000826319664 608033289 /nfs/dbraw/zinc/03/32/89/608033289.db2.gz MKCMRHDPXMUIAV-UHFFFAOYSA-N -1 3 382.384 0.480 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCc1ccccc1 ZINC000825892200 608063705 /nfs/dbraw/zinc/06/37/05/608063705.db2.gz HRZVBXWHDISZJX-UHFFFAOYSA-N -1 3 381.396 0.691 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCc1ccccc1 ZINC000825892200 608063706 /nfs/dbraw/zinc/06/37/06/608063706.db2.gz HRZVBXWHDISZJX-UHFFFAOYSA-N -1 3 381.396 0.691 20 50 GCGDHM C[C@H](Oc1cccc(CO)c1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824737666 608120453 /nfs/dbraw/zinc/12/04/53/608120453.db2.gz KBKWKBQPXMUXDT-NSHDSACASA-N -1 3 382.380 0.588 20 50 GCGDHM C[C@H](Oc1cccc(CO)c1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824737666 608120454 /nfs/dbraw/zinc/12/04/54/608120454.db2.gz KBKWKBQPXMUXDT-NSHDSACASA-N -1 3 382.380 0.588 20 50 GCGDHM CC(C)(C)OC(=O)N1CC(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824103704 608135266 /nfs/dbraw/zinc/13/52/66/608135266.db2.gz HTUXGELGXLPKKF-UHFFFAOYSA-N -1 3 387.400 0.495 20 50 GCGDHM CC(C)(C)OC(=O)N1CC(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824103704 608135267 /nfs/dbraw/zinc/13/52/67/608135267.db2.gz HTUXGELGXLPKKF-UHFFFAOYSA-N -1 3 387.400 0.495 20 50 GCGDHM Cc1ccncc1C=CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826315581 608143293 /nfs/dbraw/zinc/14/32/93/608143293.db2.gz NEANQVDWFZMLCO-QPJJXVBHSA-N -1 3 379.380 0.810 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)C2CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000826235689 608168625 /nfs/dbraw/zinc/16/86/25/608168625.db2.gz OZJJZUNBOBJCIN-AUWJEWJLSA-N -1 3 384.396 0.960 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)C2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000826235689 608168626 /nfs/dbraw/zinc/16/86/26/608168626.db2.gz OZJJZUNBOBJCIN-AUWJEWJLSA-N -1 3 384.396 0.960 20 50 GCGDHM CC(=O)N1CCOC[C@@H]1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823980379 608170331 /nfs/dbraw/zinc/17/03/31/608170331.db2.gz BUOSLUBTXUPJQZ-GFCCVEGCSA-N -1 3 399.333 0.576 20 50 GCGDHM CC(=O)N1CCOC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823980379 608170332 /nfs/dbraw/zinc/17/03/32/608170332.db2.gz BUOSLUBTXUPJQZ-GFCCVEGCSA-N -1 3 399.333 0.576 20 50 GCGDHM CCOC(=O)c1cnn2c1nccc2C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825571004 608200216 /nfs/dbraw/zinc/20/02/16/608200216.db2.gz RWNHYIZFRFXJAU-UHFFFAOYSA-N -1 3 393.367 0.843 20 50 GCGDHM C[C@@H](c1cccnc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824770339 608259926 /nfs/dbraw/zinc/25/99/26/608259926.db2.gz JBTKIHDBFFMTIV-LBPRGKRZSA-N -1 3 380.412 0.716 20 50 GCGDHM C[C@@H](c1cccnc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824770339 608259928 /nfs/dbraw/zinc/25/99/28/608259928.db2.gz JBTKIHDBFFMTIV-LBPRGKRZSA-N -1 3 380.412 0.716 20 50 GCGDHM Cc1cccn2c(=O)c(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)cnc12 ZINC000826307896 608301618 /nfs/dbraw/zinc/30/16/18/608301618.db2.gz AKGIBECPOQBJAG-UHFFFAOYSA-N -1 3 390.363 0.258 20 50 GCGDHM Cc1cccn2c(=O)c(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)cnc12 ZINC000826307896 608301619 /nfs/dbraw/zinc/30/16/19/608301619.db2.gz AKGIBECPOQBJAG-UHFFFAOYSA-N -1 3 390.363 0.258 20 50 GCGDHM O=C(NC[C@H]1COC2(CCCC2)O1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435344 608321111 /nfs/dbraw/zinc/32/11/11/608321111.db2.gz MNCVKUDOSHRKRK-ZDUSSCGKSA-N -1 3 387.400 0.496 20 50 GCGDHM O=C(NC[C@H]1COC2(CCCC2)O1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435344 608321113 /nfs/dbraw/zinc/32/11/13/608321113.db2.gz MNCVKUDOSHRKRK-ZDUSSCGKSA-N -1 3 387.400 0.496 20 50 GCGDHM O=C(NC[C@H]1COC2(CCCC2)O1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826435825 608321201 /nfs/dbraw/zinc/32/12/01/608321201.db2.gz YNFDOVVKADDXFU-ZDUSSCGKSA-N -1 3 387.400 0.496 20 50 GCGDHM O=C(NC[C@H]1COC2(CCCC2)O1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826435825 608321203 /nfs/dbraw/zinc/32/12/03/608321203.db2.gz YNFDOVVKADDXFU-ZDUSSCGKSA-N -1 3 387.400 0.496 20 50 GCGDHM CS[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826225159 608371485 /nfs/dbraw/zinc/37/14/85/608371485.db2.gz VGALELAKOAHYMM-VIFPVBQESA-N -1 3 378.414 0.313 20 50 GCGDHM CS[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826225159 608371487 /nfs/dbraw/zinc/37/14/87/608371487.db2.gz VGALELAKOAHYMM-VIFPVBQESA-N -1 3 378.414 0.313 20 50 GCGDHM COC(=O)[C@@H](C)n1cccc1C=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826102916 608388787 /nfs/dbraw/zinc/38/87/87/608388787.db2.gz ALXNBCMFUNVUSY-GFCCVEGCSA-N -1 3 397.395 0.931 20 50 GCGDHM COC(=O)[C@@H](C)n1cccc1C=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826102916 608388789 /nfs/dbraw/zinc/38/87/89/608388789.db2.gz ALXNBCMFUNVUSY-GFCCVEGCSA-N -1 3 397.395 0.931 20 50 GCGDHM O=C(NNC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444831 608412879 /nfs/dbraw/zinc/41/28/79/608412879.db2.gz WMJCEWHXFIIRCO-UHFFFAOYSA-N -1 3 381.400 0.824 20 50 GCGDHM Cc1ccc2ncc(C(=O)NNc3cc(-c4nn[n-]n4)cc(Cl)n3)c(=O)n2c1 ZINC000826295490 608577466 /nfs/dbraw/zinc/57/74/66/608577466.db2.gz JGGZRWPXOVOPGG-UHFFFAOYSA-N -1 3 397.786 0.988 20 50 GCGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1S(N)(=O)=O ZINC000826291202 608814212 /nfs/dbraw/zinc/81/42/12/608814212.db2.gz UPNKRQYFDWFTAK-UHFFFAOYSA-N -1 3 388.413 0.971 20 50 GCGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1S(N)(=O)=O ZINC000826291202 608814213 /nfs/dbraw/zinc/81/42/13/608814213.db2.gz UPNKRQYFDWFTAK-UHFFFAOYSA-N -1 3 388.413 0.971 20 50 GCGDHM CCOC(=O)Cn1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000825517828 608817110 /nfs/dbraw/zinc/81/71/10/608817110.db2.gz NYOIHVFKZGBTGT-UHFFFAOYSA-N -1 3 398.383 0.740 20 50 GCGDHM C[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824893454 608846881 /nfs/dbraw/zinc/84/68/81/608846881.db2.gz QWBCYYHYOODYPJ-ZYHUDNBSSA-N -1 3 375.389 0.143 20 50 GCGDHM CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948195 609160215 /nfs/dbraw/zinc/16/02/15/609160215.db2.gz GOKLWHROGKTTEI-UHFFFAOYSA-N -1 3 382.359 0.671 20 50 GCGDHM CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948195 609160217 /nfs/dbraw/zinc/16/02/17/609160217.db2.gz GOKLWHROGKTTEI-UHFFFAOYSA-N -1 3 382.359 0.671 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC=C(C#N)CC1 ZINC000824640266 609164193 /nfs/dbraw/zinc/16/41/93/609164193.db2.gz FIHUVTPJLVEYFP-LLVKDONJSA-N -1 3 387.425 0.216 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC=C(C#N)CC1 ZINC000824640266 609164194 /nfs/dbraw/zinc/16/41/94/609164194.db2.gz FIHUVTPJLVEYFP-LLVKDONJSA-N -1 3 387.425 0.216 20 50 GCGDHM COc1cccc(NNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000826217404 609173854 /nfs/dbraw/zinc/17/38/54/609173854.db2.gz LAKIQPIGWJXRKE-UHFFFAOYSA-N -1 3 392.383 0.795 20 50 GCGDHM COc1cccc(NNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000826217404 609173856 /nfs/dbraw/zinc/17/38/56/609173856.db2.gz LAKIQPIGWJXRKE-UHFFFAOYSA-N -1 3 392.383 0.795 20 50 GCGDHM C[C@@](O)(CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824669269 609182880 /nfs/dbraw/zinc/18/28/80/609182880.db2.gz BUMQEXYBSSAIBA-LJQANCHMSA-N -1 3 396.407 0.691 20 50 GCGDHM O=C(NNc1cccnn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826449129 609203501 /nfs/dbraw/zinc/20/35/01/609203501.db2.gz CQMWZONOURVXBC-ZDUSSCGKSA-N -1 3 394.399 0.478 20 50 GCGDHM O=C(NNC(=O)C1CCC1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826444501 609204901 /nfs/dbraw/zinc/20/49/01/609204901.db2.gz JNRBOAIVEULVSY-AWEZNQCLSA-N -1 3 398.427 0.493 20 50 GCGDHM O=C(NNC(=O)C1CCC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826444501 609204902 /nfs/dbraw/zinc/20/49/02/609204902.db2.gz JNRBOAIVEULVSY-AWEZNQCLSA-N -1 3 398.427 0.493 20 50 GCGDHM O=C(CCOc1ccccc1)NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826407876 609217151 /nfs/dbraw/zinc/21/71/51/609217151.db2.gz GDEFTINHUITOBT-INIZCTEOSA-N -1 3 382.380 0.517 20 50 GCGDHM O=C(CCOc1ccccc1)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826407876 609217153 /nfs/dbraw/zinc/21/71/53/609217153.db2.gz GDEFTINHUITOBT-INIZCTEOSA-N -1 3 382.380 0.517 20 50 GCGDHM O=C(CCOc1ccccc1)NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826407877 609217354 /nfs/dbraw/zinc/21/73/54/609217354.db2.gz GDEFTINHUITOBT-MRXNPFEDSA-N -1 3 382.380 0.517 20 50 GCGDHM O=C(CCOc1ccccc1)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826407877 609217356 /nfs/dbraw/zinc/21/73/56/609217356.db2.gz GDEFTINHUITOBT-MRXNPFEDSA-N -1 3 382.380 0.517 20 50 GCGDHM O=C(NNc1ccc(C(F)(F)F)nn1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826447812 609255605 /nfs/dbraw/zinc/25/56/05/609255605.db2.gz XEJIQVYMZIWLES-LLVKDONJSA-N -1 3 380.290 0.852 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NNc1ccccn1 ZINC000824633600 609262521 /nfs/dbraw/zinc/26/25/21/609262521.db2.gz PMOVMNVCYQKSAK-SNVBAGLBSA-N -1 3 388.413 0.072 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1ccccn1 ZINC000824633600 609262522 /nfs/dbraw/zinc/26/25/22/609262522.db2.gz PMOVMNVCYQKSAK-SNVBAGLBSA-N -1 3 388.413 0.072 20 50 GCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNc2ccnc(F)c2)cc1 ZINC000826395108 609301657 /nfs/dbraw/zinc/30/16/57/609301657.db2.gz MZFPBKUYEHPNBW-UHFFFAOYSA-N -1 3 380.347 0.926 20 50 GCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNc2ccnc(F)c2)cc1 ZINC000826395108 609301658 /nfs/dbraw/zinc/30/16/58/609301658.db2.gz MZFPBKUYEHPNBW-UHFFFAOYSA-N -1 3 380.347 0.926 20 50 GCGDHM COCCO[C@@H](C)C(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826160500 609306204 /nfs/dbraw/zinc/30/62/04/609306204.db2.gz ULGPRNHHQMYQCB-LBPRGKRZSA-N -1 3 398.427 0.769 20 50 GCGDHM COCCO[C@@H](C)C(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826160500 609306206 /nfs/dbraw/zinc/30/62/06/609306206.db2.gz ULGPRNHHQMYQCB-LBPRGKRZSA-N -1 3 398.427 0.769 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000824109136 609308672 /nfs/dbraw/zinc/30/86/72/609308672.db2.gz NUVSGFOYMGNGLK-UHFFFAOYSA-N -1 3 392.445 0.709 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000824109136 609308673 /nfs/dbraw/zinc/30/86/73/609308673.db2.gz NUVSGFOYMGNGLK-UHFFFAOYSA-N -1 3 392.445 0.709 20 50 GCGDHM CCc1cc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc(=O)[nH]1 ZINC000825693747 609364583 /nfs/dbraw/zinc/36/45/83/609364583.db2.gz CSKFVQUITARZNF-UHFFFAOYSA-N -1 3 383.368 0.370 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H]2CCS(=O)(=O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235341 609389063 /nfs/dbraw/zinc/38/90/63/609389063.db2.gz HUYRSMJXSGAYHD-MYMMUUHESA-N -1 3 390.425 0.399 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H]2CCS(=O)(=O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235341 609389067 /nfs/dbraw/zinc/38/90/67/609389067.db2.gz HUYRSMJXSGAYHD-MYMMUUHESA-N -1 3 390.425 0.399 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824108805 609397862 /nfs/dbraw/zinc/39/78/62/609397862.db2.gz KBLVNDQWSTVIFD-CMDGGOBGSA-N -1 3 387.400 0.552 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824108805 609397864 /nfs/dbraw/zinc/39/78/64/609397864.db2.gz KBLVNDQWSTVIFD-CMDGGOBGSA-N -1 3 387.400 0.552 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824108808 609398070 /nfs/dbraw/zinc/39/80/70/609398070.db2.gz KBLVNDQWSTVIFD-HJWRWDBZSA-N -1 3 387.400 0.552 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824108808 609398072 /nfs/dbraw/zinc/39/80/72/609398072.db2.gz KBLVNDQWSTVIFD-HJWRWDBZSA-N -1 3 387.400 0.552 20 50 GCGDHM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824770042 609443485 /nfs/dbraw/zinc/44/34/85/609443485.db2.gz CYJCJSNFOILTTB-BLLLJJGKSA-N -1 3 395.423 0.975 20 50 GCGDHM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824770042 609443487 /nfs/dbraw/zinc/44/34/87/609443487.db2.gz CYJCJSNFOILTTB-BLLLJJGKSA-N -1 3 395.423 0.975 20 50 GCGDHM COc1cccc([C@H](CO)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826214797 609446434 /nfs/dbraw/zinc/44/64/34/609446434.db2.gz XKACRINQIIKPAZ-HNNXBMFYSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1cccc([C@H](CO)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826214797 609446435 /nfs/dbraw/zinc/44/64/35/609446435.db2.gz XKACRINQIIKPAZ-HNNXBMFYSA-N -1 3 397.395 0.553 20 50 GCGDHM CCOC(=O)[C@H](CC(C)C)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825486779 609448429 /nfs/dbraw/zinc/44/84/29/609448429.db2.gz YMMREBYVBKVPAC-ZDUSSCGKSA-N -1 3 376.417 0.844 20 50 GCGDHM CCOC(=O)[C@H](CC(C)C)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825486779 609448431 /nfs/dbraw/zinc/44/84/31/609448431.db2.gz YMMREBYVBKVPAC-ZDUSSCGKSA-N -1 3 376.417 0.844 20 50 GCGDHM CCOC(=O)C(C#N)=CN[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825486414 609504253 /nfs/dbraw/zinc/50/42/53/609504253.db2.gz RCUYAYNEAOPOLR-HVCHUGMYSA-N -1 3 381.396 0.922 20 50 GCGDHM CCOC(=O)C(C#N)=CN[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825486414 609504255 /nfs/dbraw/zinc/50/42/55/609504255.db2.gz RCUYAYNEAOPOLR-HVCHUGMYSA-N -1 3 381.396 0.922 20 50 GCGDHM COC(=O)CNC(=O)NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826138196 609508676 /nfs/dbraw/zinc/50/86/76/609508676.db2.gz JVBWPETVVZYNKD-UHFFFAOYSA-N -1 3 384.809 0.194 20 50 GCGDHM COC(=O)CNC(=O)NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826138196 609508677 /nfs/dbraw/zinc/50/86/77/609508677.db2.gz JVBWPETVVZYNKD-UHFFFAOYSA-N -1 3 384.809 0.194 20 50 GCGDHM Cc1ccn2cc(CNC(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000737434658 945065809 /nfs/dbraw/zinc/06/58/09/945065809.db2.gz ACHWLTOZMZJRMB-UHFFFAOYSA-N -1 3 391.395 0.967 20 50 GCGDHM Cc1ccn2cc(CNC(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000737434658 945065814 /nfs/dbraw/zinc/06/58/14/945065814.db2.gz ACHWLTOZMZJRMB-UHFFFAOYSA-N -1 3 391.395 0.967 20 50 GCGDHM Cc1[nH]c(=S)sc1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737481754 945078833 /nfs/dbraw/zinc/07/88/33/945078833.db2.gz ANCCHFNXGPLMIV-UHFFFAOYSA-N -1 3 375.439 0.924 20 50 GCGDHM Cc1[nH]c(=S)sc1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737481754 945078844 /nfs/dbraw/zinc/07/88/44/945078844.db2.gz ANCCHFNXGPLMIV-UHFFFAOYSA-N -1 3 375.439 0.924 20 50 GCGDHM Cc1ncc2c(n1)CCC[C@H]2NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737502486 945084071 /nfs/dbraw/zinc/08/40/71/945084071.db2.gz WJJQHCREXKYEPC-OAHLLOKOSA-N -1 3 393.411 0.987 20 50 GCGDHM Cc1ncc2c(n1)CCC[C@H]2NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737502486 945084081 /nfs/dbraw/zinc/08/40/81/945084081.db2.gz WJJQHCREXKYEPC-OAHLLOKOSA-N -1 3 393.411 0.987 20 50 GCGDHM Cc1ncc2c(n1)CCC[C@H]2NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737502308 945084720 /nfs/dbraw/zinc/08/47/20/945084720.db2.gz VHZDIUUEGRQICF-OAHLLOKOSA-N -1 3 393.411 0.987 20 50 GCGDHM Cc1ncc2c(n1)CCC[C@H]2NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737502308 945084733 /nfs/dbraw/zinc/08/47/33/945084733.db2.gz VHZDIUUEGRQICF-OAHLLOKOSA-N -1 3 393.411 0.987 20 50 GCGDHM Cn1c2ccc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)cc2[nH]c1=O ZINC000737591519 945098367 /nfs/dbraw/zinc/09/83/67/945098367.db2.gz UMYLQMHPDQUIME-UHFFFAOYSA-N -1 3 378.352 0.534 20 50 GCGDHM Cn1c2ccc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)cc2[nH]c1=O ZINC000737591519 945098372 /nfs/dbraw/zinc/09/83/72/945098372.db2.gz UMYLQMHPDQUIME-UHFFFAOYSA-N -1 3 378.352 0.534 20 50 GCGDHM Cn1cc(C(=O)[N-]NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000737603403 945099537 /nfs/dbraw/zinc/09/95/37/945099537.db2.gz PVPKUMGVQFNGPN-AWEZNQCLSA-N -1 3 381.400 0.030 20 50 GCGDHM Cn1cc(C(=O)[N-]NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000737603404 945100429 /nfs/dbraw/zinc/10/04/29/945100429.db2.gz PVPKUMGVQFNGPN-CQSZACIVSA-N -1 3 381.400 0.030 20 50 GCGDHM Cn1cc([C@H]2CCCN2C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737606485 945101621 /nfs/dbraw/zinc/10/16/21/945101621.db2.gz SJOOBHGZHZQTNJ-CQSZACIVSA-N -1 3 381.400 0.792 20 50 GCGDHM Cn1cc([C@H]2CCCN2C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737606485 945101627 /nfs/dbraw/zinc/10/16/27/945101627.db2.gz SJOOBHGZHZQTNJ-CQSZACIVSA-N -1 3 381.400 0.792 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)c1cccc2ncccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739583 945120395 /nfs/dbraw/zinc/12/03/95/945120395.db2.gz ZJWBZMCLNNCVTO-INIZCTEOSA-N -1 3 388.391 0.876 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)c1cccc2ncccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739583 945120406 /nfs/dbraw/zinc/12/04/06/945120406.db2.gz ZJWBZMCLNNCVTO-INIZCTEOSA-N -1 3 388.391 0.876 20 50 GCGDHM NC(=O)[C@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736910 945121025 /nfs/dbraw/zinc/12/10/25/945121025.db2.gz MUVMFKLHZGLZDQ-CYBMUJFWSA-N -1 3 382.340 0.236 20 50 GCGDHM NC(=O)[C@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736910 945121026 /nfs/dbraw/zinc/12/10/26/945121026.db2.gz MUVMFKLHZGLZDQ-CYBMUJFWSA-N -1 3 382.340 0.236 20 50 GCGDHM NC(=O)c1cc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000737755810 945122010 /nfs/dbraw/zinc/12/20/10/945122010.db2.gz RGIXAROCMDJODS-UHFFFAOYSA-N -1 3 384.331 0.571 20 50 GCGDHM NC(=O)c1cc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000737755810 945122015 /nfs/dbraw/zinc/12/20/15/945122015.db2.gz RGIXAROCMDJODS-UHFFFAOYSA-N -1 3 384.331 0.571 20 50 GCGDHM O=C(CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)NNC(=O)C1CC1 ZINC000737878068 945142446 /nfs/dbraw/zinc/14/24/46/945142446.db2.gz YKQBPXNFYAZHHP-UHFFFAOYSA-N -1 3 385.428 0.267 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1ccsc1 ZINC000737888308 945145214 /nfs/dbraw/zinc/14/52/14/945145214.db2.gz ABQNPSPUMSJHHP-UHFFFAOYSA-N -1 3 385.409 0.048 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccsc1 ZINC000737888308 945145226 /nfs/dbraw/zinc/14/52/26/945145226.db2.gz ABQNPSPUMSJHHP-UHFFFAOYSA-N -1 3 385.409 0.048 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCCc1cccc(O)c1 ZINC000737918755 945152676 /nfs/dbraw/zinc/15/26/76/945152676.db2.gz KICZSTHGRCEGLO-UHFFFAOYSA-N -1 3 397.395 0.524 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCCOCC1CC1 ZINC000737919529 945153120 /nfs/dbraw/zinc/15/31/20/945153120.db2.gz UUXGGAAZNBRGKZ-UHFFFAOYSA-N -1 3 375.389 0.003 20 50 GCGDHM O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737978054 945170925 /nfs/dbraw/zinc/17/09/25/945170925.db2.gz OWYRLRUVPJPEEE-UHFFFAOYSA-N -1 3 390.363 0.519 20 50 GCGDHM O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737978054 945170930 /nfs/dbraw/zinc/17/09/30/945170930.db2.gz OWYRLRUVPJPEEE-UHFFFAOYSA-N -1 3 390.363 0.519 20 50 GCGDHM O=C(Cc1ccccn1)NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737975180 945170989 /nfs/dbraw/zinc/17/09/89/945170989.db2.gz VDOZHVVSPLFAPN-INIZCTEOSA-N -1 3 392.423 0.621 20 50 GCGDHM O=C(CNC(=O)Cc1cccc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737968054 945168949 /nfs/dbraw/zinc/16/89/49/945168949.db2.gz DOFINYZSWIILAM-UHFFFAOYSA-N -1 3 397.370 0.126 20 50 GCGDHM O=C(CNC(=O)Cc1cccc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737968054 945168952 /nfs/dbraw/zinc/16/89/52/945168952.db2.gz DOFINYZSWIILAM-UHFFFAOYSA-N -1 3 397.370 0.126 20 50 GCGDHM O=C(Cc1ccsc1)NNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737975940 945171233 /nfs/dbraw/zinc/17/12/33/945171233.db2.gz WUPDYCBBTXNTRS-UHFFFAOYSA-N -1 3 387.429 0.308 20 50 GCGDHM O=C(Cc1ccsc1)NNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737975940 945171224 /nfs/dbraw/zinc/17/12/24/945171224.db2.gz WUPDYCBBTXNTRS-UHFFFAOYSA-N -1 3 387.429 0.308 20 50 GCGDHM O=C(Cn1cnc2sccc2c1=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737989170 945172641 /nfs/dbraw/zinc/17/26/41/945172641.db2.gz SSYJIDBMGPNYSQ-UHFFFAOYSA-N -1 3 396.392 0.099 20 50 GCGDHM O=C(Cn1cnc2sccc2c1=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737989170 945172646 /nfs/dbraw/zinc/17/26/46/945172646.db2.gz SSYJIDBMGPNYSQ-UHFFFAOYSA-N -1 3 396.392 0.099 20 50 GCGDHM O=C(NCC1(O)Cc2ccccc2C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738039393 945175441 /nfs/dbraw/zinc/17/54/41/945175441.db2.gz MVRCINHYUUJRID-UHFFFAOYSA-N -1 3 393.407 0.341 20 50 GCGDHM O=C(NCC1(O)Cc2ccccc2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738039393 945175448 /nfs/dbraw/zinc/17/54/48/945175448.db2.gz MVRCINHYUUJRID-UHFFFAOYSA-N -1 3 393.407 0.341 20 50 GCGDHM O=C(NCCNC(=O)C1N=CC=CC1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000738074167 945181108 /nfs/dbraw/zinc/18/11/08/945181108.db2.gz HNZAHHUTTSDKNE-SQFISAMPSA-N -1 3 383.372 0.019 20 50 GCGDHM O=C(NCCCc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738076741 945183093 /nfs/dbraw/zinc/18/30/93/945183093.db2.gz ZMNGOJMEABKRIB-UHFFFAOYSA-N -1 3 393.407 0.377 20 50 GCGDHM O=C(NCCCc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738076741 945183099 /nfs/dbraw/zinc/18/30/99/945183099.db2.gz ZMNGOJMEABKRIB-UHFFFAOYSA-N -1 3 393.407 0.377 20 50 GCGDHM O=C(NCCCOC[C@H]1CCOC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738076004 945183392 /nfs/dbraw/zinc/18/33/92/945183392.db2.gz ORYJNBLCHISIHD-GFCCVEGCSA-N -1 3 389.416 0.254 20 50 GCGDHM O=C(NCCCOC[C@H]1CCOC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738076004 945183396 /nfs/dbraw/zinc/18/33/96/945183396.db2.gz ORYJNBLCHISIHD-GFCCVEGCSA-N -1 3 389.416 0.254 20 50 GCGDHM O=C(NCCc1ccc2c(c1)CCO2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738088604 945185091 /nfs/dbraw/zinc/18/50/91/945185091.db2.gz QOLIVVHXNXXIBP-UHFFFAOYSA-N -1 3 393.407 0.988 20 50 GCGDHM O=C(NCCc1ccc2c(c1)CCO2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738088604 945185096 /nfs/dbraw/zinc/18/50/96/945185096.db2.gz QOLIVVHXNXXIBP-UHFFFAOYSA-N -1 3 393.407 0.988 20 50 GCGDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738087974 945185760 /nfs/dbraw/zinc/18/57/60/945185760.db2.gz KLGUGCPDBVMGTF-UHFFFAOYSA-N -1 3 396.367 0.962 20 50 GCGDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738087974 945185769 /nfs/dbraw/zinc/18/57/69/945185769.db2.gz KLGUGCPDBVMGTF-UHFFFAOYSA-N -1 3 396.367 0.962 20 50 GCGDHM O=C(NCc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738104420 945191132 /nfs/dbraw/zinc/19/11/32/945191132.db2.gz XSSNHSKOAPEDHS-UHFFFAOYSA-N -1 3 383.343 0.083 20 50 GCGDHM O=C(NCc1ccc(F)cc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738104420 945191136 /nfs/dbraw/zinc/19/11/36/945191136.db2.gz XSSNHSKOAPEDHS-UHFFFAOYSA-N -1 3 383.343 0.083 20 50 GCGDHM O=C(NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738128392 945195313 /nfs/dbraw/zinc/19/53/13/945195313.db2.gz AWWUBJXZXYJDGR-UHFFFAOYSA-N -1 3 378.308 0.861 20 50 GCGDHM O=C(NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738128392 945195318 /nfs/dbraw/zinc/19/53/18/945195318.db2.gz AWWUBJXZXYJDGR-UHFFFAOYSA-N -1 3 378.308 0.861 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN1c1nccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129689 945205483 /nfs/dbraw/zinc/20/54/83/945205483.db2.gz HJNLJDIFGDDNPP-LBPRGKRZSA-N -1 3 384.425 0.753 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN1c1nccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129689 945205493 /nfs/dbraw/zinc/20/54/93/945205493.db2.gz HJNLJDIFGDDNPP-LBPRGKRZSA-N -1 3 384.425 0.753 20 50 GCGDHM O=C(NNC(=O)C1CCN(c2cnccn2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130155 945207495 /nfs/dbraw/zinc/20/74/95/945207495.db2.gz MLFHOCIRKBEPAM-UHFFFAOYSA-N -1 3 393.411 0.334 20 50 GCGDHM O=C(NNC(=O)C1CCN(c2cnccn2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130155 945207502 /nfs/dbraw/zinc/20/75/02/945207502.db2.gz MLFHOCIRKBEPAM-UHFFFAOYSA-N -1 3 393.411 0.334 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2c(c1)CCC2 ZINC000738137178 945242409 /nfs/dbraw/zinc/24/24/09/945242409.db2.gz RULVWDRWQLCGJC-UHFFFAOYSA-N -1 3 376.376 0.999 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2c(c1)CCC2 ZINC000738137178 945242415 /nfs/dbraw/zinc/24/24/15/945242415.db2.gz RULVWDRWQLCGJC-UHFFFAOYSA-N -1 3 376.376 0.999 20 50 GCGDHM O=Cc1ccc(OCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738313769 945259326 /nfs/dbraw/zinc/25/93/26/945259326.db2.gz MMEWSLWVAVHYQF-UHFFFAOYSA-N -1 3 380.364 0.909 20 50 GCGDHM O=Cc1ccc(OCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738313769 945259334 /nfs/dbraw/zinc/25/93/34/945259334.db2.gz MMEWSLWVAVHYQF-UHFFFAOYSA-N -1 3 380.364 0.909 20 50 GCGDHM CC(=O)Nc1cncc(C(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000819826203 945296041 /nfs/dbraw/zinc/29/60/41/945296041.db2.gz GUHVSKDRCLQQCR-UHFFFAOYSA-N -1 3 396.367 0.060 20 50 GCGDHM CC(=O)Nc1cncc(C(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000819826203 945296048 /nfs/dbraw/zinc/29/60/48/945296048.db2.gz GUHVSKDRCLQQCR-UHFFFAOYSA-N -1 3 396.367 0.060 20 50 GCGDHM CC(C)(C)N1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000819914508 945312795 /nfs/dbraw/zinc/31/27/95/945312795.db2.gz UVQNJLVNHIVZJG-GFCCVEGCSA-N -1 3 386.416 0.210 20 50 GCGDHM CC(C)(C)N1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000819914508 945312803 /nfs/dbraw/zinc/31/28/03/945312803.db2.gz UVQNJLVNHIVZJG-GFCCVEGCSA-N -1 3 386.416 0.210 20 50 GCGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1ccncc1 ZINC000820001654 945327484 /nfs/dbraw/zinc/32/74/84/945327484.db2.gz XDSHQWLYWVXKDF-UHFFFAOYSA-N -1 3 381.396 0.809 20 50 GCGDHM CC(C)CO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820096405 945349934 /nfs/dbraw/zinc/34/99/34/945349934.db2.gz CBTXRQKLRIBTET-NSHDSACASA-N -1 3 390.400 0.232 20 50 GCGDHM CC(C)CO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820096405 945349945 /nfs/dbraw/zinc/34/99/45/945349945.db2.gz CBTXRQKLRIBTET-NSHDSACASA-N -1 3 390.400 0.232 20 50 GCGDHM CC(=O)NCC1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735474107 944663530 /nfs/dbraw/zinc/66/35/30/944663530.db2.gz GYZGMCWRAZLWJA-UHFFFAOYSA-N -1 3 386.416 0.069 20 50 GCGDHM CC(=O)NCC1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735474107 944663535 /nfs/dbraw/zinc/66/35/35/944663535.db2.gz GYZGMCWRAZLWJA-UHFFFAOYSA-N -1 3 386.416 0.069 20 50 GCGDHM CC(C)(C)OC(=O)NC(C)(C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735633767 944680698 /nfs/dbraw/zinc/68/06/98/944680698.db2.gz RTLZFUMHWMPNNK-UHFFFAOYSA-N -1 3 389.416 0.931 20 50 GCGDHM CC(C)(C)OC(=O)NC(C)(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735633767 944680708 /nfs/dbraw/zinc/68/07/08/944680708.db2.gz RTLZFUMHWMPNNK-UHFFFAOYSA-N -1 3 389.416 0.931 20 50 GCGDHM CC(C)CC(=O)N[C@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000735757321 944699668 /nfs/dbraw/zinc/69/96/68/944699668.db2.gz ATWAXBJMTXGALT-HNNXBMFYSA-N -1 3 387.444 0.815 20 50 GCGDHM CC(C)CC(=O)N[C@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000735757321 944699675 /nfs/dbraw/zinc/69/96/75/944699675.db2.gz ATWAXBJMTXGALT-HNNXBMFYSA-N -1 3 387.444 0.815 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccco1 ZINC000736116211 944740895 /nfs/dbraw/zinc/74/08/95/944740895.db2.gz DVARPZWVHPORTK-SNVBAGLBSA-N -1 3 398.383 0.109 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccco1 ZINC000736116211 944740904 /nfs/dbraw/zinc/74/09/04/944740904.db2.gz DVARPZWVHPORTK-SNVBAGLBSA-N -1 3 398.383 0.109 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117190 944741620 /nfs/dbraw/zinc/74/16/20/944741620.db2.gz IGUDPEIEGDJXJN-SNVBAGLBSA-N -1 3 398.383 0.281 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117190 944741633 /nfs/dbraw/zinc/74/16/33/944741633.db2.gz IGUDPEIEGDJXJN-SNVBAGLBSA-N -1 3 398.383 0.281 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC000736140755 944749187 /nfs/dbraw/zinc/74/91/87/944749187.db2.gz BCUPCKKXWPKQEV-MRXNPFEDSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000736140755 944749193 /nfs/dbraw/zinc/74/91/93/944749193.db2.gz BCUPCKKXWPKQEV-MRXNPFEDSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=S)N[C@@H](C)C1CC1 ZINC000736169489 944750802 /nfs/dbraw/zinc/75/08/02/944750802.db2.gz NYQIYQCVUOSHRB-VHSXEESVSA-N -1 3 375.458 0.928 20 50 GCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=S)N[C@@H](C)C1CC1 ZINC000736169488 944751715 /nfs/dbraw/zinc/75/17/15/944751715.db2.gz NYQIYQCVUOSHRB-UWVGGRQHSA-N -1 3 375.458 0.928 20 50 GCGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)c1cccc(C#N)c1 ZINC000736184947 944756423 /nfs/dbraw/zinc/75/64/23/944756423.db2.gz PZMMNKRFTWIXOC-NSHDSACASA-N -1 3 377.364 0.967 20 50 GCGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)c1cccc(C#N)c1 ZINC000736184947 944756427 /nfs/dbraw/zinc/75/64/27/944756427.db2.gz PZMMNKRFTWIXOC-NSHDSACASA-N -1 3 377.364 0.967 20 50 GCGDHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736227243 944767839 /nfs/dbraw/zinc/76/78/39/944767839.db2.gz KIQJUJDRDMYEGK-GHMZBOCLSA-N -1 3 379.446 0.324 20 50 GCGDHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736227243 944767849 /nfs/dbraw/zinc/76/78/49/944767849.db2.gz KIQJUJDRDMYEGK-GHMZBOCLSA-N -1 3 379.446 0.324 20 50 GCGDHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736227244 944768160 /nfs/dbraw/zinc/76/81/60/944768160.db2.gz KIQJUJDRDMYEGK-PHIMTYICSA-N -1 3 379.446 0.324 20 50 GCGDHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736227244 944768164 /nfs/dbraw/zinc/76/81/64/944768164.db2.gz KIQJUJDRDMYEGK-PHIMTYICSA-N -1 3 379.446 0.324 20 50 GCGDHM C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736262503 944777890 /nfs/dbraw/zinc/77/78/90/944777890.db2.gz NBGJQLNTXXPFAK-IUODEOHRSA-N -1 3 388.428 0.988 20 50 GCGDHM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736305686 944793876 /nfs/dbraw/zinc/79/38/76/944793876.db2.gz YVESWBWVWHFVAZ-BMIGLBTASA-N -1 3 380.364 0.856 20 50 GCGDHM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736305686 944793885 /nfs/dbraw/zinc/79/38/85/944793885.db2.gz YVESWBWVWHFVAZ-BMIGLBTASA-N -1 3 380.364 0.856 20 50 GCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736345631 944804589 /nfs/dbraw/zinc/80/45/89/944804589.db2.gz KUAAJPNCLQQCKW-JTQLQIEISA-N -1 3 389.416 0.086 20 50 GCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736345631 944804595 /nfs/dbraw/zinc/80/45/95/944804595.db2.gz KUAAJPNCLQQCKW-JTQLQIEISA-N -1 3 389.416 0.086 20 50 GCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736345632 944805056 /nfs/dbraw/zinc/80/50/56/944805056.db2.gz KUAAJPNCLQQCKW-SNVBAGLBSA-N -1 3 389.416 0.086 20 50 GCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736345632 944805063 /nfs/dbraw/zinc/80/50/63/944805063.db2.gz KUAAJPNCLQQCKW-SNVBAGLBSA-N -1 3 389.416 0.086 20 50 GCGDHM CCC(CC)N1C[C@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000736345844 944805558 /nfs/dbraw/zinc/80/55/58/944805558.db2.gz MNLKPNGYCPXVHV-CYBMUJFWSA-N -1 3 385.428 0.665 20 50 GCGDHM CCC(CC)N1C[C@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000736345844 944805564 /nfs/dbraw/zinc/80/55/64/944805564.db2.gz MNLKPNGYCPXVHV-CYBMUJFWSA-N -1 3 385.428 0.665 20 50 GCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736345241 944805691 /nfs/dbraw/zinc/80/56/91/944805691.db2.gz GVLZZZOEGINHOU-UHFFFAOYSA-N -1 3 391.457 0.411 20 50 GCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736345241 944805695 /nfs/dbraw/zinc/80/56/95/944805695.db2.gz GVLZZZOEGINHOU-UHFFFAOYSA-N -1 3 391.457 0.411 20 50 GCGDHM CC[C@@H](O)CN1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000736381528 944813634 /nfs/dbraw/zinc/81/36/34/944813634.db2.gz IJDANNKHTZNVMM-QOBZYLRHSA-N -1 3 398.471 0.336 20 50 GCGDHM CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736413610 944814273 /nfs/dbraw/zinc/81/42/73/944814273.db2.gz SYJQNDSHSJIDEB-GFCCVEGCSA-N -1 3 389.441 0.329 20 50 GCGDHM CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736413610 944814280 /nfs/dbraw/zinc/81/42/80/944814280.db2.gz SYJQNDSHSJIDEB-GFCCVEGCSA-N -1 3 389.441 0.329 20 50 GCGDHM CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736411577 944814446 /nfs/dbraw/zinc/81/44/46/944814446.db2.gz KSTDANXLXUXKGV-AWEZNQCLSA-N -1 3 385.428 0.809 20 50 GCGDHM CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736411577 944814451 /nfs/dbraw/zinc/81/44/51/944814451.db2.gz KSTDANXLXUXKGV-AWEZNQCLSA-N -1 3 385.428 0.809 20 50 GCGDHM CCC[C@@H](C)N1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736421429 944818057 /nfs/dbraw/zinc/81/80/57/944818057.db2.gz BHGFNXXPDAQAFL-RISCZKNCSA-N -1 3 385.428 0.665 20 50 GCGDHM CCC[C@@H](C)N1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736421429 944818071 /nfs/dbraw/zinc/81/80/71/944818071.db2.gz BHGFNXXPDAQAFL-RISCZKNCSA-N -1 3 385.428 0.665 20 50 GCGDHM CCCn1nccc1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736501813 944835637 /nfs/dbraw/zinc/83/56/37/944835637.db2.gz GTUROJACZOXGER-UHFFFAOYSA-N -1 3 385.388 0.705 20 50 GCGDHM CCCc1noc(CCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000736500515 944836366 /nfs/dbraw/zinc/83/63/66/944836366.db2.gz QDZWYBSMXGQQCE-UHFFFAOYSA-N -1 3 384.400 0.986 20 50 GCGDHM CCCc1noc(CCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000736500515 944836373 /nfs/dbraw/zinc/83/63/73/944836373.db2.gz QDZWYBSMXGQQCE-UHFFFAOYSA-N -1 3 384.400 0.986 20 50 GCGDHM CCN(CC)C(=O)CCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736522378 944837927 /nfs/dbraw/zinc/83/79/27/944837927.db2.gz JZJGPRJYGSJIGM-UHFFFAOYSA-N -1 3 388.432 0.459 20 50 GCGDHM CCN(CC)C(=O)CCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736522378 944837939 /nfs/dbraw/zinc/83/79/39/944837939.db2.gz JZJGPRJYGSJIGM-UHFFFAOYSA-N -1 3 388.432 0.459 20 50 GCGDHM CCN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000736510566 944838962 /nfs/dbraw/zinc/83/89/62/944838962.db2.gz BWFLYDKSNBFHRJ-UHFFFAOYSA-N -1 3 389.416 0.885 20 50 GCGDHM CCN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000736510566 944838968 /nfs/dbraw/zinc/83/89/68/944838968.db2.gz BWFLYDKSNBFHRJ-UHFFFAOYSA-N -1 3 389.416 0.885 20 50 GCGDHM CCN1CCO[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736568279 944843805 /nfs/dbraw/zinc/84/38/05/944843805.db2.gz KRAUVBDDCLYMOI-GSHXUFRSSA-N -1 3 384.444 0.258 20 50 GCGDHM CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736600820 944851736 /nfs/dbraw/zinc/85/17/36/944851736.db2.gz OIRSTBWYHPUVQG-CYBMUJFWSA-N -1 3 387.400 0.496 20 50 GCGDHM CCOC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736600820 944851743 /nfs/dbraw/zinc/85/17/43/944851743.db2.gz OIRSTBWYHPUVQG-CYBMUJFWSA-N -1 3 387.400 0.496 20 50 GCGDHM CCOCCN1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000736619457 944857146 /nfs/dbraw/zinc/85/71/46/944857146.db2.gz PFMVLCXUZVMLSQ-WJDWOHSUSA-N -1 3 398.471 0.601 20 50 GCGDHM CCc1nnc2n1CCN(C(=O)C(C#N)=Cc1cc(-c3nnn[n-]3)n(C)c1C)C2 ZINC000736710252 944876673 /nfs/dbraw/zinc/87/66/73/944876673.db2.gz GKWWZQQETUDVGX-QPEQYQDCSA-N -1 3 392.427 0.617 20 50 GCGDHM CCc1nnc2n1CCN(C(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)C2 ZINC000736710252 944876678 /nfs/dbraw/zinc/87/66/78/944876678.db2.gz GKWWZQQETUDVGX-QPEQYQDCSA-N -1 3 392.427 0.617 20 50 GCGDHM CCn1cnnc1CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736721176 944878964 /nfs/dbraw/zinc/87/89/64/944878964.db2.gz BTGRJHKGRYPEAI-QPEQYQDCSA-N -1 3 380.416 0.391 20 50 GCGDHM CCn1cnnc1CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736721176 944878973 /nfs/dbraw/zinc/87/89/73/944878973.db2.gz BTGRJHKGRYPEAI-QPEQYQDCSA-N -1 3 380.416 0.391 20 50 GCGDHM CNC(=O)C1CCC(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736871930 944902699 /nfs/dbraw/zinc/90/26/99/944902699.db2.gz UOKNOUIDOVDSAJ-UHFFFAOYSA-N -1 3 386.416 0.116 20 50 GCGDHM CNC(=O)C1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736871930 944902714 /nfs/dbraw/zinc/90/27/14/944902714.db2.gz UOKNOUIDOVDSAJ-UHFFFAOYSA-N -1 3 386.416 0.116 20 50 GCGDHM CNC(=O)c1cccc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736880925 944905009 /nfs/dbraw/zinc/90/50/09/944905009.db2.gz BSWBALBFXYYZLS-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736894949 944905269 /nfs/dbraw/zinc/90/52/69/944905269.db2.gz DPPNJKMIHDQCMM-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736894949 944905275 /nfs/dbraw/zinc/90/52/75/944905275.db2.gz DPPNJKMIHDQCMM-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736894944 944905413 /nfs/dbraw/zinc/90/54/13/944905413.db2.gz DPPNJKMIHDQCMM-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736894944 944905419 /nfs/dbraw/zinc/90/54/19/944905419.db2.gz DPPNJKMIHDQCMM-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)CCCCCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736911173 944909375 /nfs/dbraw/zinc/90/93/75/944909375.db2.gz IGLQBAQQUGJKDF-UHFFFAOYSA-N -1 3 389.416 0.934 20 50 GCGDHM COC(=O)CCCCCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736911173 944909380 /nfs/dbraw/zinc/90/93/80/944909380.db2.gz IGLQBAQQUGJKDF-UHFFFAOYSA-N -1 3 389.416 0.934 20 50 GCGDHM COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000736941783 944916744 /nfs/dbraw/zinc/91/67/44/944916744.db2.gz VCXHXHHGEIUGNC-UHFFFAOYSA-N -1 3 383.368 0.673 20 50 GCGDHM COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000736941783 944916748 /nfs/dbraw/zinc/91/67/48/944916748.db2.gz VCXHXHHGEIUGNC-UHFFFAOYSA-N -1 3 383.368 0.673 20 50 GCGDHM COCCCNC(=O)NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736985947 944927583 /nfs/dbraw/zinc/92/75/83/944927583.db2.gz HZSMTSLKLUTSBL-AWEZNQCLSA-N -1 3 388.432 0.202 20 50 GCGDHM COCCCNC(=S)N(C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736985799 944927804 /nfs/dbraw/zinc/92/78/04/944927804.db2.gz GHJHKYZFTJFOJN-UHFFFAOYSA-N -1 3 379.446 0.120 20 50 GCGDHM COCCOc1ncccc1C(=O)[N-]NC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737012922 944931316 /nfs/dbraw/zinc/93/13/16/944931316.db2.gz BBIGIQIGKRXJMO-UHFFFAOYSA-N -1 3 383.368 0.362 20 50 GCGDHM COc1ccc(COCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737094841 944957351 /nfs/dbraw/zinc/95/73/51/944957351.db2.gz BHBYCMMNLJUJKD-UHFFFAOYSA-N -1 3 382.380 0.853 20 50 GCGDHM COc1ccc(COCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737094841 944957356 /nfs/dbraw/zinc/95/73/56/944957356.db2.gz BHBYCMMNLJUJKD-UHFFFAOYSA-N -1 3 382.380 0.853 20 50 GCGDHM COc1ccc(OC)c(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737110327 944961521 /nfs/dbraw/zinc/96/15/21/944961521.db2.gz ZGRLXZZYUZZWDV-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM COc1ccc(OC)c(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737110327 944961527 /nfs/dbraw/zinc/96/15/27/944961527.db2.gz ZGRLXZZYUZZWDV-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM COc1ccc(OCC(=O)NN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737110126 944961587 /nfs/dbraw/zinc/96/15/87/944961587.db2.gz SOZGBEXPOBBBQA-INIZCTEOSA-N -1 3 397.395 0.102 20 50 GCGDHM COc1ccc(OCC(=O)NN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737110126 944961594 /nfs/dbraw/zinc/96/15/94/944961594.db2.gz SOZGBEXPOBBBQA-INIZCTEOSA-N -1 3 397.395 0.102 20 50 GCGDHM COc1ccccc1C(=O)NNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737139491 944965523 /nfs/dbraw/zinc/96/55/23/944965523.db2.gz XANBDHQGIVAJKJ-UHFFFAOYSA-N -1 3 396.367 0.164 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000737211533 944987160 /nfs/dbraw/zinc/98/71/60/944987160.db2.gz CKFBIFFXBQQEAZ-SBKJXLNCSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000737211533 944987165 /nfs/dbraw/zinc/98/71/65/944987165.db2.gz CKFBIFFXBQQEAZ-SBKJXLNCSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2cnc(N(C)C)n2C)cc(-c2nn[n-]n2)n1C ZINC000737211751 944989259 /nfs/dbraw/zinc/98/92/59/944989259.db2.gz FLECBINJRUREFX-MLPAPPSSSA-N -1 3 394.443 0.537 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2(C(N)=O)CCCC2)cc(-c2nnn[n-]2)n1C ZINC000737212383 944992549 /nfs/dbraw/zinc/99/25/49/944992549.db2.gz IPIUOXGUZLMFLL-NTUHNPAUSA-N -1 3 382.428 0.583 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2(C(N)=O)CCCC2)cc(-c2nn[n-]n2)n1C ZINC000737212383 944992552 /nfs/dbraw/zinc/99/25/52/944992552.db2.gz IPIUOXGUZLMFLL-NTUHNPAUSA-N -1 3 382.428 0.583 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nncn2C2CC2)cc(-c2nnn[n-]2)n1C ZINC000737212442 944992951 /nfs/dbraw/zinc/99/29/51/944992951.db2.gz JKBGPGFFNMSKRB-LFYBBSHMSA-N -1 3 378.400 0.663 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nncn2C2CC2)cc(-c2nn[n-]n2)n1C ZINC000737212442 944992958 /nfs/dbraw/zinc/99/29/58/944992958.db2.gz JKBGPGFFNMSKRB-LFYBBSHMSA-N -1 3 378.400 0.663 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC2CCC(C(N)=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000737212401 944993655 /nfs/dbraw/zinc/99/36/55/944993655.db2.gz IVVPVHIDLPCPCG-QPEQYQDCSA-N -1 3 382.428 0.581 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC2CCC(C(N)=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000737212401 944993659 /nfs/dbraw/zinc/99/36/59/944993659.db2.gz IVVPVHIDLPCPCG-QPEQYQDCSA-N -1 3 382.428 0.581 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc(-c2nnn[n-]2)n1C ZINC000737212548 944994755 /nfs/dbraw/zinc/99/47/55/944994755.db2.gz KVMVLUFPBXFFLW-KUKWCLJQSA-N -1 3 389.441 0.066 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212548 944994761 /nfs/dbraw/zinc/99/47/61/944994761.db2.gz KVMVLUFPBXFFLW-KUKWCLJQSA-N -1 3 389.441 0.066 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000737212651 944994971 /nfs/dbraw/zinc/99/49/71/944994971.db2.gz LUPPHXPSGYTPHZ-MECSIWFOSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212651 944994975 /nfs/dbraw/zinc/99/49/75/944994975.db2.gz LUPPHXPSGYTPHZ-MECSIWFOSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2N=NC(=S)N2C)cc(-c2nnn[n-]2)n1C ZINC000737213289 945002194 /nfs/dbraw/zinc/00/21/94/945002194.db2.gz RLHDETFLWPRXSO-ONNFQVAWSA-N -1 3 384.429 0.154 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2N=NC(=S)N2C)cc(-c2nn[n-]n2)n1C ZINC000737213289 945002202 /nfs/dbraw/zinc/00/22/02/945002202.db2.gz RLHDETFLWPRXSO-ONNFQVAWSA-N -1 3 384.429 0.154 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCN2C(=O)CCC2=O)cc(-c2nnn[n-]2)n1C ZINC000737213463 945002804 /nfs/dbraw/zinc/00/28/04/945002804.db2.gz TWZJFLWKHCUSCQ-MDWZMJQESA-N -1 3 396.411 0.076 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCN2C(=O)CCC2=O)cc(-c2nn[n-]n2)n1C ZINC000737213463 945002816 /nfs/dbraw/zinc/00/28/16/945002816.db2.gz TWZJFLWKHCUSCQ-MDWZMJQESA-N -1 3 396.411 0.076 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCc3n[nH]cc3C2)cc(-c2nn[n-]n2)n1C ZINC000737213597 945003204 /nfs/dbraw/zinc/00/32/04/945003204.db2.gz VCHTXVRDOFXZGY-VDFGQWLZSA-N -1 3 377.412 0.817 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCN(C(C)C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000737213833 945009018 /nfs/dbraw/zinc/00/90/18/945009018.db2.gz XRHZNQFYGWNXPC-SVSAJMPUSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCN(C(C)C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000737213833 945009026 /nfs/dbraw/zinc/00/90/26/945009026.db2.gz XRHZNQFYGWNXPC-SVSAJMPUSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](N3CCOCC3)C2)cc(-c2nn[n-]n2)n1C ZINC000737213985 945011486 /nfs/dbraw/zinc/01/14/86/945011486.db2.gz ZJXVUBCKYRDYBE-TYWAAFNRSA-N -1 3 396.455 0.354 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc(-c2nnn[n-]2)n1C ZINC000737213962 945012163 /nfs/dbraw/zinc/01/21/63/945012163.db2.gz ZHFXFCDPTYSJLM-XEVNVYFWSA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc(-c2nn[n-]n2)n1C ZINC000737213962 945012170 /nfs/dbraw/zinc/01/21/70/945012170.db2.gz ZHFXFCDPTYSJLM-XEVNVYFWSA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000737236990 945018456 /nfs/dbraw/zinc/01/84/56/945018456.db2.gz XVKMYSMJZAUBDS-UHFFFAOYSA-N -1 3 383.368 0.268 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000737236990 945018466 /nfs/dbraw/zinc/01/84/66/945018466.db2.gz XVKMYSMJZAUBDS-UHFFFAOYSA-N -1 3 383.368 0.268 20 50 GCGDHM Cc1cc(C)cc(OCC(=O)NN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737251565 945019112 /nfs/dbraw/zinc/01/91/12/945019112.db2.gz UATHYIAGNLTZAF-QGZVFWFLSA-N -1 3 395.423 0.710 20 50 GCGDHM Cc1cc(C)cc(OCC(=O)NN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737251565 945019124 /nfs/dbraw/zinc/01/91/24/945019124.db2.gz UATHYIAGNLTZAF-QGZVFWFLSA-N -1 3 395.423 0.710 20 50 GCGDHM Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000737258065 945024472 /nfs/dbraw/zinc/02/44/72/945024472.db2.gz XZTNPQHRLOGSCF-UHFFFAOYSA-N -1 3 387.379 0.350 20 50 GCGDHM Cc1cc(C)n(CC(=O)NNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000737258065 945024479 /nfs/dbraw/zinc/02/44/79/945024479.db2.gz XZTNPQHRLOGSCF-UHFFFAOYSA-N -1 3 387.379 0.350 20 50 GCGDHM Cc1ccccc1[C@@H](O)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737419968 945062682 /nfs/dbraw/zinc/06/26/82/945062682.db2.gz GJLYFOMJSDTBKT-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccccc1[C@@H](O)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737419968 945062692 /nfs/dbraw/zinc/06/26/92/945062692.db2.gz GJLYFOMJSDTBKT-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM CC(C)n1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820214578 945386465 /nfs/dbraw/zinc/38/64/65/945386465.db2.gz JSHQXMYHSREDTL-UHFFFAOYSA-N -1 3 398.383 0.262 20 50 GCGDHM CC(C)n1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820214578 945386476 /nfs/dbraw/zinc/38/64/76/945386476.db2.gz JSHQXMYHSREDTL-UHFFFAOYSA-N -1 3 398.383 0.262 20 50 GCGDHM C[C@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820286626 945407283 /nfs/dbraw/zinc/40/72/83/945407283.db2.gz DDSZNLKTWRAPCK-MFKMUULPSA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820286626 945407289 /nfs/dbraw/zinc/40/72/89/945407289.db2.gz DDSZNLKTWRAPCK-MFKMUULPSA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC000820375077 945441783 /nfs/dbraw/zinc/44/17/83/945441783.db2.gz XMADBFFKUQQFJN-SNVBAGLBSA-N -1 3 385.388 0.071 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NNc1ccccc1 ZINC000820450315 945453314 /nfs/dbraw/zinc/45/33/14/945453314.db2.gz JPLCVNNYRQKFBS-LLVKDONJSA-N -1 3 387.425 0.677 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NNc1ccccc1 ZINC000820450315 945453317 /nfs/dbraw/zinc/45/33/17/945453317.db2.gz JPLCVNNYRQKFBS-LLVKDONJSA-N -1 3 387.425 0.677 20 50 GCGDHM C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820473320 945459820 /nfs/dbraw/zinc/45/98/20/945459820.db2.gz ABSXUPUJHBBNFG-LLVKDONJSA-N -1 3 391.432 0.373 20 50 GCGDHM C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820473320 945459824 /nfs/dbraw/zinc/45/98/24/945459824.db2.gz ABSXUPUJHBBNFG-LLVKDONJSA-N -1 3 391.432 0.373 20 50 GCGDHM CC1(C)C(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000820585792 945492381 /nfs/dbraw/zinc/49/23/81/945492381.db2.gz QDJSOYQYLCHPET-UHFFFAOYSA-N -1 3 386.412 0.853 20 50 GCGDHM CC1(C)C(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000820585792 945492386 /nfs/dbraw/zinc/49/23/86/945492386.db2.gz QDJSOYQYLCHPET-UHFFFAOYSA-N -1 3 386.412 0.853 20 50 GCGDHM C[C@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690006 945527493 /nfs/dbraw/zinc/52/74/93/945527493.db2.gz FFOFKLOWPHGFSM-FZMZJTMJSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690006 945527499 /nfs/dbraw/zinc/52/74/99/945527499.db2.gz FFOFKLOWPHGFSM-FZMZJTMJSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C)S1 ZINC000820750382 945545345 /nfs/dbraw/zinc/54/53/45/945545345.db2.gz BFIAFOILFVTJQT-GHMZBOCLSA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C)S1 ZINC000820750382 945545359 /nfs/dbraw/zinc/54/53/59/945545359.db2.gz BFIAFOILFVTJQT-GHMZBOCLSA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820770040 945556062 /nfs/dbraw/zinc/55/60/62/945556062.db2.gz YUPHYTFNAUUIGE-GXFFZTMASA-N -1 3 394.461 0.163 20 50 GCGDHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820770040 945556068 /nfs/dbraw/zinc/55/60/68/945556068.db2.gz YUPHYTFNAUUIGE-GXFFZTMASA-N -1 3 394.461 0.163 20 50 GCGDHM CCC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000820837414 945564913 /nfs/dbraw/zinc/56/49/13/945564913.db2.gz ISMMJUXIVOISFB-GUNGLEHYSA-N -1 3 382.428 0.548 20 50 GCGDHM CCC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000820837414 945564921 /nfs/dbraw/zinc/56/49/21/945564921.db2.gz ISMMJUXIVOISFB-GUNGLEHYSA-N -1 3 382.428 0.548 20 50 GCGDHM CCCn1nc(C)c(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821147030 945642165 /nfs/dbraw/zinc/64/21/65/945642165.db2.gz DIVJMMMRNRJWAR-UHFFFAOYSA-N -1 3 398.427 0.930 20 50 GCGDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCC(=O)NNC(=O)C2CC2)n1 ZINC000821343810 945674768 /nfs/dbraw/zinc/67/47/68/945674768.db2.gz UMWVORBHRAMQJK-UHFFFAOYSA-N -1 3 391.413 0.088 20 50 GCGDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCC(=O)NNC(=O)C2CC2)n1 ZINC000821343810 945674776 /nfs/dbraw/zinc/67/47/76/945674776.db2.gz UMWVORBHRAMQJK-UHFFFAOYSA-N -1 3 391.413 0.088 20 50 GCGDHM CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821427667 945693063 /nfs/dbraw/zinc/69/30/63/945693063.db2.gz XYCUIBDMCMSGIX-JTQLQIEISA-N -1 3 385.384 0.822 20 50 GCGDHM CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821427667 945693067 /nfs/dbraw/zinc/69/30/67/945693067.db2.gz XYCUIBDMCMSGIX-JTQLQIEISA-N -1 3 385.384 0.822 20 50 GCGDHM CCc1nc2n(n1)CCC[C@H]2NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821510304 945711485 /nfs/dbraw/zinc/71/14/85/945711485.db2.gz ZCCJCZPEJIDXLX-GFCCVEGCSA-N -1 3 396.415 0.500 20 50 GCGDHM CCc1nc2n(n1)CCC[C@H]2NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821510304 945711490 /nfs/dbraw/zinc/71/14/90/945711490.db2.gz ZCCJCZPEJIDXLX-GFCCVEGCSA-N -1 3 396.415 0.500 20 50 GCGDHM CCc1nnc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1C ZINC000821516767 945711762 /nfs/dbraw/zinc/71/17/62/945711762.db2.gz BVHWYIGQGDUSFJ-SDQBBNPISA-N -1 3 381.400 0.855 20 50 GCGDHM CCc1nnc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1C ZINC000821516767 945711768 /nfs/dbraw/zinc/71/17/68/945711768.db2.gz BVHWYIGQGDUSFJ-SDQBBNPISA-N -1 3 381.400 0.855 20 50 GCGDHM CCc1nc2n(n1)CCC[C@H]2NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821509470 945712339 /nfs/dbraw/zinc/71/23/39/945712339.db2.gz IABMLLDNBRWLTA-GFCCVEGCSA-N -1 3 396.415 0.500 20 50 GCGDHM CCc1nc2n(n1)CCC[C@H]2NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821509470 945712346 /nfs/dbraw/zinc/71/23/46/945712346.db2.gz IABMLLDNBRWLTA-GFCCVEGCSA-N -1 3 396.415 0.500 20 50 GCGDHM CCc1noc(C)c1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821553859 945713958 /nfs/dbraw/zinc/71/39/58/945713958.db2.gz KZRQAAGCHHPUHP-UHFFFAOYSA-N -1 3 399.367 0.344 20 50 GCGDHM CCc1noc(C)c1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821553859 945713967 /nfs/dbraw/zinc/71/39/67/945713967.db2.gz KZRQAAGCHHPUHP-UHFFFAOYSA-N -1 3 399.367 0.344 20 50 GCGDHM CCc1noc(CC)c1CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821554951 945715074 /nfs/dbraw/zinc/71/50/74/945715074.db2.gz WAMBCPIYWZMKST-UHFFFAOYSA-N -1 3 399.411 0.748 20 50 GCGDHM CCn1c(C)nnc1SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821563956 945717265 /nfs/dbraw/zinc/71/72/65/945717265.db2.gz NKTKZMIROVHXJQ-UHFFFAOYSA-N -1 3 387.429 0.340 20 50 GCGDHM CCn1c(C)nnc1SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821563956 945717274 /nfs/dbraw/zinc/71/72/74/945717274.db2.gz NKTKZMIROVHXJQ-UHFFFAOYSA-N -1 3 387.429 0.340 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1cccc(F)c1 ZINC000821593690 945732931 /nfs/dbraw/zinc/73/29/31/945732931.db2.gz FOZBKSORSRGKBC-UHFFFAOYSA-N -1 3 383.387 0.899 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1cccc(F)c1 ZINC000821593690 945732939 /nfs/dbraw/zinc/73/29/39/945732939.db2.gz FOZBKSORSRGKBC-UHFFFAOYSA-N -1 3 383.387 0.899 20 50 GCGDHM CN1N=C(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCC1=O ZINC000821630375 945761698 /nfs/dbraw/zinc/76/16/98/945761698.db2.gz WCIPQWAADYFJPN-UHFFFAOYSA-N -1 3 382.306 0.937 20 50 GCGDHM CN1N=C(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCC1=O ZINC000821630375 945761709 /nfs/dbraw/zinc/76/17/09/945761709.db2.gz WCIPQWAADYFJPN-UHFFFAOYSA-N -1 3 382.306 0.937 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000821644703 945769912 /nfs/dbraw/zinc/76/99/12/945769912.db2.gz GYQWSEZAIZOFOM-INIZCTEOSA-N -1 3 382.380 0.781 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000821644703 945769922 /nfs/dbraw/zinc/76/99/22/945769922.db2.gz GYQWSEZAIZOFOM-INIZCTEOSA-N -1 3 382.380 0.781 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000821645350 945770255 /nfs/dbraw/zinc/77/02/55/945770255.db2.gz XMGMKFKXQCFXGJ-HNNXBMFYSA-N -1 3 383.368 0.176 20 50 GCGDHM COC(=O)[C@]1(C)CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821651626 945775819 /nfs/dbraw/zinc/77/58/19/945775819.db2.gz CQQLSZNHUFJLBX-JQTSXJCQSA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)[C@]1(C)CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821651626 945775827 /nfs/dbraw/zinc/77/58/27/945775827.db2.gz CQQLSZNHUFJLBX-JQTSXJCQSA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)[C@]1(F)CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821653921 945778537 /nfs/dbraw/zinc/77/85/37/945778537.db2.gz OTIYUECZLYRPEQ-NIUUYTMRSA-N -1 3 387.375 0.534 20 50 GCGDHM COC(=O)[C@]1(F)CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821653921 945778547 /nfs/dbraw/zinc/77/85/47/945778547.db2.gz OTIYUECZLYRPEQ-NIUUYTMRSA-N -1 3 387.375 0.534 20 50 GCGDHM COC(=O)[C@@]1(F)CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821653920 945778794 /nfs/dbraw/zinc/77/87/94/945778794.db2.gz OTIYUECZLYRPEQ-HMPQKADESA-N -1 3 387.375 0.534 20 50 GCGDHM COC(=O)[C@@]1(F)CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821653920 945778800 /nfs/dbraw/zinc/77/88/00/945778800.db2.gz OTIYUECZLYRPEQ-HMPQKADESA-N -1 3 387.375 0.534 20 50 GCGDHM COC(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821669883 945790921 /nfs/dbraw/zinc/79/09/21/945790921.db2.gz CKBFGKVAYUOXBG-UHFFFAOYSA-N -1 3 395.379 0.798 20 50 GCGDHM COC(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821669883 945790929 /nfs/dbraw/zinc/79/09/29/945790929.db2.gz CKBFGKVAYUOXBG-UHFFFAOYSA-N -1 3 395.379 0.798 20 50 GCGDHM COC[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821682659 945803510 /nfs/dbraw/zinc/80/35/10/945803510.db2.gz LGBJTPXZXRPRHM-GFCCVEGCSA-N -1 3 377.405 0.247 20 50 GCGDHM COC[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821682659 945803519 /nfs/dbraw/zinc/80/35/19/945803519.db2.gz LGBJTPXZXRPRHM-GFCCVEGCSA-N -1 3 377.405 0.247 20 50 GCGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNc1ccncc1Cl ZINC000821701563 945837293 /nfs/dbraw/zinc/83/72/93/945837293.db2.gz SVQKSTGIEHXOFS-UHFFFAOYSA-N -1 3 375.776 0.868 20 50 GCGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNc1ccncc1Cl ZINC000821701563 945837301 /nfs/dbraw/zinc/83/73/01/945837301.db2.gz SVQKSTGIEHXOFS-UHFFFAOYSA-N -1 3 375.776 0.868 20 50 GCGDHM COc1ccc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821794700 945868110 /nfs/dbraw/zinc/86/81/10/945868110.db2.gz KHAKNXKSULASNV-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM COc1ccc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821794700 945868124 /nfs/dbraw/zinc/86/81/24/945868124.db2.gz KHAKNXKSULASNV-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM CSC[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821956767 945909210 /nfs/dbraw/zinc/90/92/10/945909210.db2.gz XBDCIUTWRMLHFR-VIFPVBQESA-N -1 3 378.414 0.170 20 50 GCGDHM CSC[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821956767 945909217 /nfs/dbraw/zinc/90/92/17/945909217.db2.gz XBDCIUTWRMLHFR-VIFPVBQESA-N -1 3 378.414 0.170 20 50 GCGDHM CSCCCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821960856 945909560 /nfs/dbraw/zinc/90/95/60/945909560.db2.gz DWVIYMIZNNXIDU-UHFFFAOYSA-N -1 3 392.441 0.704 20 50 GCGDHM CSCCCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821960856 945909566 /nfs/dbraw/zinc/90/95/66/945909566.db2.gz DWVIYMIZNNXIDU-UHFFFAOYSA-N -1 3 392.441 0.704 20 50 GCGDHM CSC1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000821950917 945909923 /nfs/dbraw/zinc/90/99/23/945909923.db2.gz SDJHEGQDDLMNTD-UHFFFAOYSA-N -1 3 391.457 0.723 20 50 GCGDHM CSC1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000821950917 945909930 /nfs/dbraw/zinc/90/99/30/945909930.db2.gz SDJHEGQDDLMNTD-UHFFFAOYSA-N -1 3 391.457 0.723 20 50 GCGDHM CSCCCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821962446 945911855 /nfs/dbraw/zinc/91/18/55/945911855.db2.gz QBGVVWCBIKLUBP-UHFFFAOYSA-N -1 3 392.441 0.704 20 50 GCGDHM CSCCCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821962446 945911862 /nfs/dbraw/zinc/91/18/62/945911862.db2.gz QBGVVWCBIKLUBP-UHFFFAOYSA-N -1 3 392.441 0.704 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc(-c2nnn[n-]2)n1C ZINC000822027597 945933408 /nfs/dbraw/zinc/93/34/08/945933408.db2.gz IQCRFGOIKQYWSL-JEKIELILSA-N -1 3 394.439 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc(-c2nn[n-]n2)n1C ZINC000822027597 945933417 /nfs/dbraw/zinc/93/34/17/945933417.db2.gz IQCRFGOIKQYWSL-JEKIELILSA-N -1 3 394.439 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc(-c2nnn[n-]2)n1C ZINC000822027602 945934777 /nfs/dbraw/zinc/93/47/77/945934777.db2.gz IQCRFGOIKQYWSL-SKKWVJBFSA-N -1 3 394.439 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc(-c2nn[n-]n2)n1C ZINC000822027602 945934788 /nfs/dbraw/zinc/93/47/88/945934788.db2.gz IQCRFGOIKQYWSL-SKKWVJBFSA-N -1 3 394.439 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1C ZINC000822027809 945936106 /nfs/dbraw/zinc/93/61/06/945936106.db2.gz JOQKOKKXQFRCCO-QWGHSUKYSA-N -1 3 380.412 0.300 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1C ZINC000822027809 945936114 /nfs/dbraw/zinc/93/61/14/945936114.db2.gz JOQKOKKXQFRCCO-QWGHSUKYSA-N -1 3 380.412 0.300 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1C ZINC000822027811 945936297 /nfs/dbraw/zinc/93/62/97/945936297.db2.gz JOQKOKKXQFRCCO-YFTXEMMHSA-N -1 3 380.412 0.300 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1C ZINC000822027811 945936302 /nfs/dbraw/zinc/93/63/02/945936302.db2.gz JOQKOKKXQFRCCO-YFTXEMMHSA-N -1 3 380.412 0.300 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(C(N)=O)o2)cc(-c2nnn[n-]2)n1C ZINC000822028207 945941270 /nfs/dbraw/zinc/94/12/70/945941270.db2.gz MHXPSBCNMUYDCT-WZUFQYTHSA-N -1 3 380.368 0.429 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(C(N)=O)o2)cc(-c2nn[n-]n2)n1C ZINC000822028207 945941274 /nfs/dbraw/zinc/94/12/74/945941274.db2.gz MHXPSBCNMUYDCT-WZUFQYTHSA-N -1 3 380.368 0.429 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc(-c2nnn[n-]2)n1C ZINC000822028801 945949165 /nfs/dbraw/zinc/94/91/65/945949165.db2.gz SHIYIOXXYXOVBR-RILDOFPPSA-N -1 3 395.345 0.946 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc(-c2nn[n-]n2)n1C ZINC000822028801 945949171 /nfs/dbraw/zinc/94/91/71/945949171.db2.gz SHIYIOXXYXOVBR-RILDOFPPSA-N -1 3 395.345 0.946 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@]2(CCO)CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822029387 945953842 /nfs/dbraw/zinc/95/38/42/945953842.db2.gz XRXAWTPNTAYXFU-SPJASCBJSA-N -1 3 385.428 0.326 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@]2(CCO)CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822029387 945953855 /nfs/dbraw/zinc/95/38/55/945953855.db2.gz XRXAWTPNTAYXFU-SPJASCBJSA-N -1 3 385.428 0.326 20 50 GCGDHM Cc1cc([C@@](C)(O)CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000822192073 945975418 /nfs/dbraw/zinc/97/54/18/945975418.db2.gz YFHWNPNLKUOGFB-SFHVURJKSA-N -1 3 399.411 0.928 20 50 GCGDHM Cc1cc([C@@](C)(O)CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000822192073 945975427 /nfs/dbraw/zinc/97/54/27/945975427.db2.gz YFHWNPNLKUOGFB-SFHVURJKSA-N -1 3 399.411 0.928 20 50 GCGDHM Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822226104 946002417 /nfs/dbraw/zinc/00/24/17/946002417.db2.gz CNRFWLNHVMRBNB-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822226104 946002428 /nfs/dbraw/zinc/00/24/28/946002428.db2.gz CNRFWLNHVMRBNB-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1cccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822303864 946047736 /nfs/dbraw/zinc/04/77/36/946047736.db2.gz MVDROMAQEQBODH-UHFFFAOYSA-N -1 3 380.412 0.463 20 50 GCGDHM Cc1cccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822303864 946047750 /nfs/dbraw/zinc/04/77/50/946047750.db2.gz MVDROMAQEQBODH-UHFFFAOYSA-N -1 3 380.412 0.463 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1N ZINC000822289538 946049624 /nfs/dbraw/zinc/04/96/24/946049624.db2.gz YZQVCPAIFZYIEB-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1N ZINC000822289538 946049636 /nfs/dbraw/zinc/04/96/36/946049636.db2.gz YZQVCPAIFZYIEB-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000822355952 946066989 /nfs/dbraw/zinc/06/69/89/946066989.db2.gz CXNVDFVBLOQLEP-UHFFFAOYSA-N -1 3 395.427 0.555 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000822355952 946067002 /nfs/dbraw/zinc/06/70/02/946067002.db2.gz CXNVDFVBLOQLEP-UHFFFAOYSA-N -1 3 395.427 0.555 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822356409 946067318 /nfs/dbraw/zinc/06/73/18/946067318.db2.gz RIDQCIJFWDANGU-UHFFFAOYSA-N -1 3 394.395 0.393 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822356409 946067327 /nfs/dbraw/zinc/06/73/27/946067327.db2.gz RIDQCIJFWDANGU-UHFFFAOYSA-N -1 3 394.395 0.393 20 50 GCGDHM Cc1cncc(C=CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822399406 946080952 /nfs/dbraw/zinc/08/09/52/946080952.db2.gz GVIOVWZEFMCSSK-FARCUNLSSA-N -1 3 379.380 0.810 20 50 GCGDHM Cc1ncsc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822482163 946101233 /nfs/dbraw/zinc/10/12/33/946101233.db2.gz KYNWRONUXHAHFH-UHFFFAOYSA-N -1 3 387.381 0.250 20 50 GCGDHM Cc1ncsc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822482163 946101242 /nfs/dbraw/zinc/10/12/42/946101242.db2.gz KYNWRONUXHAHFH-UHFFFAOYSA-N -1 3 387.381 0.250 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)NCc1cc(-c3nnn[n-]3)ccc1F)[nH]c2=O ZINC000822709581 946164471 /nfs/dbraw/zinc/16/44/71/946164471.db2.gz NVLFDJHDGBWCBM-UHFFFAOYSA-N -1 3 399.350 0.214 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)NCc1cc(-c3nn[n-]n3)ccc1F)[nH]c2=O ZINC000822709581 946164480 /nfs/dbraw/zinc/16/44/80/946164480.db2.gz NVLFDJHDGBWCBM-UHFFFAOYSA-N -1 3 399.350 0.214 20 50 GCGDHM N#Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822823641 946197095 /nfs/dbraw/zinc/19/70/95/946197095.db2.gz VUVXPNRKUTXMEU-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM N#Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822823641 946197105 /nfs/dbraw/zinc/19/71/05/946197105.db2.gz VUVXPNRKUTXMEU-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM O=C(CCc1ccco1)NNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822982723 946244812 /nfs/dbraw/zinc/24/48/12/946244812.db2.gz HHIPOWBWGBGGSB-UHFFFAOYSA-N -1 3 385.384 0.802 20 50 GCGDHM O=C(CN1CC[C@@H](c2ccco2)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822993735 946251423 /nfs/dbraw/zinc/25/14/23/946251423.db2.gz XKNJUNZXXWGJAI-CQSZACIVSA-N -1 3 381.396 0.710 20 50 GCGDHM O=C(CN1CC[C@@H](c2ccco2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822993735 946251438 /nfs/dbraw/zinc/25/14/38/946251438.db2.gz XKNJUNZXXWGJAI-CQSZACIVSA-N -1 3 381.396 0.710 20 50 GCGDHM O=C(CN1CCC(c2cn[nH]c2)CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822993716 946252153 /nfs/dbraw/zinc/25/21/53/946252153.db2.gz WRKRXNZRASJMRB-UHFFFAOYSA-N -1 3 395.427 0.230 20 50 GCGDHM O=C(CN1CCC(c2cn[nH]c2)CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822993716 946252162 /nfs/dbraw/zinc/25/21/62/946252162.db2.gz WRKRXNZRASJMRB-UHFFFAOYSA-N -1 3 395.427 0.230 20 50 GCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823005243 946262668 /nfs/dbraw/zinc/26/26/68/946262668.db2.gz ILDGNQQJDDQACV-UHFFFAOYSA-N -1 3 389.379 0.623 20 50 GCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823005243 946262673 /nfs/dbraw/zinc/26/26/73/946262673.db2.gz ILDGNQQJDDQACV-UHFFFAOYSA-N -1 3 389.379 0.623 20 50 GCGDHM O=C(COC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823014808 946269369 /nfs/dbraw/zinc/26/93/69/946269369.db2.gz UBQPROFIMMPPJQ-NHAGDIPZSA-N -1 3 384.396 0.607 20 50 GCGDHM O=C(COC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823014808 946269380 /nfs/dbraw/zinc/26/93/80/946269380.db2.gz UBQPROFIMMPPJQ-NHAGDIPZSA-N -1 3 384.396 0.607 20 50 GCGDHM O=C(COC(=O)[C@@H]1CC12CCCC2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018488 946272552 /nfs/dbraw/zinc/27/25/52/946272552.db2.gz PCJCBXJGUXHBRB-ZDUSSCGKSA-N -1 3 384.396 0.751 20 50 GCGDHM O=C(COC(=O)[C@@H]1CC12CCCC2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018488 946272564 /nfs/dbraw/zinc/27/25/64/946272564.db2.gz PCJCBXJGUXHBRB-ZDUSSCGKSA-N -1 3 384.396 0.751 20 50 GCGDHM O=C(COC(=O)COC1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018661 946276682 /nfs/dbraw/zinc/27/66/82/946276682.db2.gz VPNWMPBUMMPTJH-UHFFFAOYSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)COC1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018661 946276688 /nfs/dbraw/zinc/27/66/88/946276688.db2.gz VPNWMPBUMMPTJH-UHFFFAOYSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)Cc1cccc(F)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823023113 946278109 /nfs/dbraw/zinc/27/81/09/946278109.db2.gz VXNCWWOBXKLZQX-UHFFFAOYSA-N -1 3 398.354 0.553 20 50 GCGDHM O=C(COC(=O)Cc1cccc(F)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823023113 946278122 /nfs/dbraw/zinc/27/81/22/946278122.db2.gz VXNCWWOBXKLZQX-UHFFFAOYSA-N -1 3 398.354 0.553 20 50 GCGDHM O=C(COC(=O)c1cccc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027122 946281566 /nfs/dbraw/zinc/28/15/66/946281566.db2.gz MYOKNEKFWGSTLI-UHFFFAOYSA-N -1 3 384.327 0.624 20 50 GCGDHM O=C(COC(=O)c1cccc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027122 946281573 /nfs/dbraw/zinc/28/15/73/946281573.db2.gz MYOKNEKFWGSTLI-UHFFFAOYSA-N -1 3 384.327 0.624 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCCc1cscn1 ZINC000823036406 946283814 /nfs/dbraw/zinc/28/38/14/946283814.db2.gz BDDWFNAPMKCLDK-UHFFFAOYSA-N -1 3 388.413 0.275 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1c(F)cccc1F ZINC000823036508 946284744 /nfs/dbraw/zinc/28/47/44/946284744.db2.gz FELPEPTVXDZJCD-UHFFFAOYSA-N -1 3 388.334 0.914 20 50 GCGDHM O=C(COc1ccc(O)cc1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823040211 946288530 /nfs/dbraw/zinc/28/85/30/946288530.db2.gz FWHOCDZIPNMHAB-UHFFFAOYSA-N -1 3 384.352 0.178 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@@H]1CCCSC1 ZINC000823049502 946294270 /nfs/dbraw/zinc/29/42/70/946294270.db2.gz FEPIWSYYJZJSLC-SNVBAGLBSA-N -1 3 377.430 0.472 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@@H]1CCCSC1 ZINC000823049502 946294284 /nfs/dbraw/zinc/29/42/84/946294284.db2.gz FEPIWSYYJZJSLC-SNVBAGLBSA-N -1 3 377.430 0.472 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCCOC1CCC1 ZINC000823049552 946294879 /nfs/dbraw/zinc/29/48/79/946294879.db2.gz GVUCKHZAQRKVCZ-UHFFFAOYSA-N -1 3 375.389 0.145 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCCOC1CCC1 ZINC000823049552 946294888 /nfs/dbraw/zinc/29/48/88/946294888.db2.gz GVUCKHZAQRKVCZ-UHFFFAOYSA-N -1 3 375.389 0.145 20 50 GCGDHM O=C(Cn1c(=O)sc2ccccc21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823118707 946320830 /nfs/dbraw/zinc/32/08/30/946320830.db2.gz NJKZMNGBYJKCKI-UHFFFAOYSA-N -1 3 395.404 0.704 20 50 GCGDHM O=C(Cn1c(=O)sc2ccccc21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823118707 946320843 /nfs/dbraw/zinc/32/08/43/946320843.db2.gz NJKZMNGBYJKCKI-UHFFFAOYSA-N -1 3 395.404 0.704 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823118971 946321203 /nfs/dbraw/zinc/32/12/03/946321203.db2.gz XTOCNDUPXXRWTG-UHFFFAOYSA-N -1 3 391.395 0.588 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823118971 946321214 /nfs/dbraw/zinc/32/12/14/946321214.db2.gz XTOCNDUPXXRWTG-UHFFFAOYSA-N -1 3 391.395 0.588 20 50 GCGDHM O=C(NC[C@H]1CSCCS1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823181691 946337706 /nfs/dbraw/zinc/33/77/06/946337706.db2.gz DNUFWYCNQAYBSC-NSHDSACASA-N -1 3 379.471 0.659 20 50 GCGDHM O=C(NC[C@H]1CSCCS1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823181691 946337721 /nfs/dbraw/zinc/33/77/21/946337721.db2.gz DNUFWYCNQAYBSC-NSHDSACASA-N -1 3 379.471 0.659 20 50 GCGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)C(=O)Nc1ccccn1 ZINC000823269793 946367521 /nfs/dbraw/zinc/36/75/21/946367521.db2.gz PBXYVQNTSNVYMC-UHFFFAOYSA-N -1 3 375.352 0.832 20 50 GCGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)C(=O)Nc1ccccn1 ZINC000823269793 946367536 /nfs/dbraw/zinc/36/75/36/946367536.db2.gz PBXYVQNTSNVYMC-UHFFFAOYSA-N -1 3 375.352 0.832 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN1Cc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273740 946389399 /nfs/dbraw/zinc/38/93/99/946389399.db2.gz WLBBSOVNPWCRSH-INIZCTEOSA-N -1 3 392.423 0.687 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN1Cc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273740 946389410 /nfs/dbraw/zinc/38/94/10/946389410.db2.gz WLBBSOVNPWCRSH-INIZCTEOSA-N -1 3 392.423 0.687 20 50 GCGDHM O=C(NNC(=O)N1CC[C@H](Oc2ccccn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277001 946394297 /nfs/dbraw/zinc/39/42/97/946394297.db2.gz BIIWZIKLFMSBKN-AWEZNQCLSA-N -1 3 394.395 0.769 20 50 GCGDHM O=C(NNC(=O)N1CC[C@H](Oc2ccccn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277001 946394306 /nfs/dbraw/zinc/39/43/06/946394306.db2.gz BIIWZIKLFMSBKN-AWEZNQCLSA-N -1 3 394.395 0.769 20 50 GCGDHM O=C(NNC(=O)c1ccccc1Cn1cncn1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277035 946394561 /nfs/dbraw/zinc/39/45/61/946394561.db2.gz CNYVPTHTBDHQMC-UHFFFAOYSA-N -1 3 389.379 0.581 20 50 GCGDHM O=C(NNC(=O)c1ccccc1Cn1cncn1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277035 946394573 /nfs/dbraw/zinc/39/45/73/946394573.db2.gz CNYVPTHTBDHQMC-UHFFFAOYSA-N -1 3 389.379 0.581 20 50 GCGDHM O=C(NN=c1nc[nH]c2ccsc21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277151 946396746 /nfs/dbraw/zinc/39/67/46/946396746.db2.gz GAOLLVRZIOZZCS-UHFFFAOYSA-N -1 3 396.396 0.843 20 50 GCGDHM O=C(NN=c1nc[nH]c2ccsc21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277151 946396758 /nfs/dbraw/zinc/39/67/58/946396758.db2.gz GAOLLVRZIOZZCS-UHFFFAOYSA-N -1 3 396.396 0.843 20 50 GCGDHM O=C(NNC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277278 946399205 /nfs/dbraw/zinc/39/92/05/946399205.db2.gz IUXQDAACQRSQQD-CYBMUJFWSA-N -1 3 385.306 0.220 20 50 GCGDHM O=C(NNC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277278 946399217 /nfs/dbraw/zinc/39/92/17/946399217.db2.gz IUXQDAACQRSQQD-CYBMUJFWSA-N -1 3 385.306 0.220 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277477 946401940 /nfs/dbraw/zinc/40/19/40/946401940.db2.gz NUCDMXAQKMPKRL-KBPBESRZSA-N -1 3 387.400 0.101 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277477 946401949 /nfs/dbraw/zinc/40/19/49/946401949.db2.gz NUCDMXAQKMPKRL-KBPBESRZSA-N -1 3 387.400 0.101 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824071999 946575475 /nfs/dbraw/zinc/57/54/75/946575475.db2.gz QACIXWNXCBHXFK-CQSZACIVSA-N -1 3 387.444 0.434 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824071999 946575480 /nfs/dbraw/zinc/57/54/80/946575480.db2.gz QACIXWNXCBHXFK-CQSZACIVSA-N -1 3 387.444 0.434 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826160203 947503903 /nfs/dbraw/zinc/50/39/03/947503903.db2.gz ISZMMJPUZJPEDM-MRVPVSSYSA-N -1 3 383.796 0.724 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826160203 947503906 /nfs/dbraw/zinc/50/39/06/947503906.db2.gz ISZMMJPUZJPEDM-MRVPVSSYSA-N -1 3 383.796 0.724 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826200518 947597935 /nfs/dbraw/zinc/59/79/35/947597935.db2.gz UIFVDEQQGCXKQN-UHFFFAOYSA-N -1 3 392.379 0.891 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826200518 947597946 /nfs/dbraw/zinc/59/79/46/947597946.db2.gz UIFVDEQQGCXKQN-UHFFFAOYSA-N -1 3 392.379 0.891 20 50 GCGDHM O=C(COC(=O)[C@H]1CCCCS1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826415673 948257410 /nfs/dbraw/zinc/25/74/10/948257410.db2.gz NYCUBQSAISMENU-GFCCVEGCSA-N -1 3 390.425 0.457 20 50 GCGDHM O=C(COC(=O)[C@H]1CCCCS1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826415673 948257416 /nfs/dbraw/zinc/25/74/16/948257416.db2.gz NYCUBQSAISMENU-GFCCVEGCSA-N -1 3 390.425 0.457 20 50 GCGDHM O=S(=O)(CBr)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826484208 948399966 /nfs/dbraw/zinc/39/99/66/948399966.db2.gz SDFCJHBTCKZVKC-UHFFFAOYSA-N -1 3 388.251 0.066 20 50 GCGDHM O=S(=O)(CBr)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826484208 948399975 /nfs/dbraw/zinc/39/99/75/948399975.db2.gz SDFCJHBTCKZVKC-UHFFFAOYSA-N -1 3 388.251 0.066 20 50 GCGDHM C[C@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc(O)c1 ZINC001573729119 948565450 /nfs/dbraw/zinc/56/54/50/948565450.db2.gz HCOGKNURUWOAGS-NSHDSACASA-N -1 3 382.380 0.902 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)CN1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001573805852 949474918 /nfs/dbraw/zinc/47/49/18/949474918.db2.gz BKLBSICOFPFJIX-UHFFFAOYSA-N -1 3 378.462 0.062 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)CN1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001573805852 949474925 /nfs/dbraw/zinc/47/49/25/949474925.db2.gz BKLBSICOFPFJIX-UHFFFAOYSA-N -1 3 378.462 0.062 20 50 GCGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000824039229 607334814 /nfs/dbraw/zinc/33/48/14/607334814.db2.gz CSBLDFOGUYYVND-LERXQTSPSA-N -1 3 383.412 0.874 20 50 GCGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000824039229 607334817 /nfs/dbraw/zinc/33/48/17/607334817.db2.gz CSBLDFOGUYYVND-LERXQTSPSA-N -1 3 383.412 0.874 20 50 GCGDHM C[C@@H]1NC(C(=O)NNc2cccc(-c3nnn[n-]3)c2)=NN(c2ccccc2)C1=O ZINC000825013321 607335517 /nfs/dbraw/zinc/33/55/17/607335517.db2.gz PAABJKPMJRSFLZ-NSHDSACASA-N -1 3 391.395 0.648 20 50 GCGDHM C[C@@H]1NC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)=NN(c2ccccc2)C1=O ZINC000825013321 607335519 /nfs/dbraw/zinc/33/55/19/607335519.db2.gz PAABJKPMJRSFLZ-NSHDSACASA-N -1 3 391.395 0.648 20 50 GCGDHM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000824937675 607335882 /nfs/dbraw/zinc/33/58/82/607335882.db2.gz QMUNTWNQDPABAM-ADLMAVQZSA-N -1 3 398.427 0.811 20 50 GCGDHM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000824937675 607335884 /nfs/dbraw/zinc/33/58/84/607335884.db2.gz QMUNTWNQDPABAM-ADLMAVQZSA-N -1 3 398.427 0.811 20 50 GCGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000824039956 607336586 /nfs/dbraw/zinc/33/65/86/607336586.db2.gz JQTLVXQSHWTTQD-SNVBAGLBSA-N -1 3 384.400 0.563 20 50 GCGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000824039956 607336587 /nfs/dbraw/zinc/33/65/87/607336587.db2.gz JQTLVXQSHWTTQD-SNVBAGLBSA-N -1 3 384.400 0.563 20 50 GCGDHM C[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000824039955 607336708 /nfs/dbraw/zinc/33/67/08/607336708.db2.gz JQTLVXQSHWTTQD-JTQLQIEISA-N -1 3 384.400 0.563 20 50 GCGDHM C[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000824039955 607336710 /nfs/dbraw/zinc/33/67/10/607336710.db2.gz JQTLVXQSHWTTQD-JTQLQIEISA-N -1 3 384.400 0.563 20 50 GCGDHM CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824108648 607336786 /nfs/dbraw/zinc/33/67/86/607336786.db2.gz HTFZDAJARRZALA-CYBMUJFWSA-N -1 3 389.416 0.946 20 50 GCGDHM CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824108648 607336788 /nfs/dbraw/zinc/33/67/88/607336788.db2.gz HTFZDAJARRZALA-CYBMUJFWSA-N -1 3 389.416 0.946 20 50 GCGDHM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406639 607339434 /nfs/dbraw/zinc/33/94/34/607339434.db2.gz GKDSRICBWPZMQM-ZIAGYGMSSA-N -1 3 383.412 0.875 20 50 GCGDHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825875543 607343091 /nfs/dbraw/zinc/34/30/91/607343091.db2.gz SMHTVTRCCQXJRT-UHFFFAOYSA-N -1 3 376.402 0.202 20 50 GCGDHM CN1C(=O)C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccnc1 ZINC000826010434 607348078 /nfs/dbraw/zinc/34/80/78/607348078.db2.gz IXDZCODTSVOWOY-GDBMZVCRSA-N -1 3 378.396 0.924 20 50 GCGDHM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824108994 607353589 /nfs/dbraw/zinc/35/35/89/607353589.db2.gz MBTPIUSIEZJYHX-ZDUSSCGKSA-N -1 3 389.416 0.946 20 50 GCGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000824039546 607354695 /nfs/dbraw/zinc/35/46/95/607354695.db2.gz FGUGUZCRBDFJCZ-LERXQTSPSA-N -1 3 383.412 0.874 20 50 GCGDHM O=C(CNC(=O)c1ccc2c(c1)OCO2)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826412623 607463799 /nfs/dbraw/zinc/46/37/99/607463799.db2.gz VZXLFHPGURHBIM-UHFFFAOYSA-N -1 3 381.352 0.469 20 50 GCGDHM O=C(CNC(=O)c1ccc2c(c1)OCO2)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412623 607463800 /nfs/dbraw/zinc/46/38/00/607463800.db2.gz VZXLFHPGURHBIM-UHFFFAOYSA-N -1 3 381.352 0.469 20 50 GCGDHM NS(=O)(=O)c1ccc(OCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826395217 607463817 /nfs/dbraw/zinc/46/38/17/607463817.db2.gz SACCOOWZAIVOEU-UHFFFAOYSA-N -1 3 389.397 0.036 20 50 GCGDHM COc1ccc(C(=O)NCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826187323 607463240 /nfs/dbraw/zinc/46/32/40/607463240.db2.gz LARZHNWGZUMQLC-UHFFFAOYSA-N -1 3 397.395 0.757 20 50 GCGDHM COc1ccc(C(=O)NCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826187323 607463241 /nfs/dbraw/zinc/46/32/41/607463241.db2.gz LARZHNWGZUMQLC-UHFFFAOYSA-N -1 3 397.395 0.757 20 50 GCGDHM CCNC(=O)C(C)(C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825465036 607511946 /nfs/dbraw/zinc/51/19/46/607511946.db2.gz GRUUPSRUJRJZNI-NTUHNPAUSA-N -1 3 384.444 0.699 20 50 GCGDHM CCNC(=O)C(C)(C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825465036 607511949 /nfs/dbraw/zinc/51/19/49/607511949.db2.gz GRUUPSRUJRJZNI-NTUHNPAUSA-N -1 3 384.444 0.699 20 50 GCGDHM CCOCCO[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825600000 607537152 /nfs/dbraw/zinc/53/71/52/607537152.db2.gz WBFYABIZDHHGPM-AWEZNQCLSA-N -1 3 389.416 0.349 20 50 GCGDHM CCOCCO[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825600000 607537154 /nfs/dbraw/zinc/53/71/54/607537154.db2.gz WBFYABIZDHHGPM-AWEZNQCLSA-N -1 3 389.416 0.349 20 50 GCGDHM COC[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826150570 607561242 /nfs/dbraw/zinc/56/12/42/607561242.db2.gz HMYHNVYIABNNCE-GFCCVEGCSA-N -1 3 375.389 0.001 20 50 GCGDHM COC[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000826150570 607561244 /nfs/dbraw/zinc/56/12/44/607561244.db2.gz HMYHNVYIABNNCE-GFCCVEGCSA-N -1 3 375.389 0.001 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)Cc2ccccn2)cc1-c1nnn[n-]1 ZINC000826200576 607565231 /nfs/dbraw/zinc/56/52/31/607565231.db2.gz XACANFFJONAMNE-UHFFFAOYSA-N -1 3 382.384 0.343 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)Cc2ccccn2)cc1-c1nn[n-]n1 ZINC000826200576 607565232 /nfs/dbraw/zinc/56/52/32/607565232.db2.gz XACANFFJONAMNE-UHFFFAOYSA-N -1 3 382.384 0.343 20 50 GCGDHM CSCc1noc(CCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826228807 607578463 /nfs/dbraw/zinc/57/84/63/607578463.db2.gz BDBVJYBMCYUKIM-UHFFFAOYSA-N -1 3 388.413 0.507 20 50 GCGDHM CSCc1noc(CCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826228807 607578465 /nfs/dbraw/zinc/57/84/65/607578465.db2.gz BDBVJYBMCYUKIM-UHFFFAOYSA-N -1 3 388.413 0.507 20 50 GCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)Cc1cn2ccccc2n1 ZINC000826249722 607700630 /nfs/dbraw/zinc/70/06/30/607700630.db2.gz QULKZVCTCQMVRK-UHFFFAOYSA-N -1 3 376.380 0.827 20 50 GCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)Cc1cn2ccccc2n1 ZINC000826249722 607700632 /nfs/dbraw/zinc/70/06/32/607700632.db2.gz QULKZVCTCQMVRK-UHFFFAOYSA-N -1 3 376.380 0.827 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444469 607709692 /nfs/dbraw/zinc/70/96/92/607709692.db2.gz HTOCVTXFXDAEFL-HUUCEWRRSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444469 607709693 /nfs/dbraw/zinc/70/96/93/607709693.db2.gz HTOCVTXFXDAEFL-HUUCEWRRSA-N -1 3 385.428 0.970 20 50 GCGDHM CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825663448 607719108 /nfs/dbraw/zinc/71/91/08/607719108.db2.gz OZEFSCSORSXQHO-LBPRGKRZSA-N -1 3 399.502 0.371 20 50 GCGDHM CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825663448 607719109 /nfs/dbraw/zinc/71/91/09/607719109.db2.gz OZEFSCSORSXQHO-LBPRGKRZSA-N -1 3 399.502 0.371 20 50 GCGDHM CCS(=O)(=O)N[C@H](CCSC)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825663446 607719165 /nfs/dbraw/zinc/71/91/65/607719165.db2.gz OZEFSCSORSXQHO-GFCCVEGCSA-N -1 3 399.502 0.371 20 50 GCGDHM CCS(=O)(=O)N[C@H](CCSC)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825663446 607719166 /nfs/dbraw/zinc/71/91/66/607719166.db2.gz OZEFSCSORSXQHO-GFCCVEGCSA-N -1 3 399.502 0.371 20 50 GCGDHM CS(=O)(=O)Nc1cccc(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826223995 607720900 /nfs/dbraw/zinc/72/09/00/607720900.db2.gz JXTUUCOSISYXLI-UHFFFAOYSA-N -1 3 387.425 0.924 20 50 GCGDHM CS(=O)(=O)Nc1cccc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826223995 607720901 /nfs/dbraw/zinc/72/09/01/607720901.db2.gz JXTUUCOSISYXLI-UHFFFAOYSA-N -1 3 387.425 0.924 20 50 GCGDHM Cn1c2cc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)ccc2[nH]c1=O ZINC000826354486 607726116 /nfs/dbraw/zinc/72/61/16/607726116.db2.gz GUYWRDJICOCCTN-UHFFFAOYSA-N -1 3 378.352 0.534 20 50 GCGDHM Cn1c2cc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)ccc2[nH]c1=O ZINC000826354486 607726118 /nfs/dbraw/zinc/72/61/18/607726118.db2.gz GUYWRDJICOCCTN-UHFFFAOYSA-N -1 3 378.352 0.534 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826448118 607732278 /nfs/dbraw/zinc/73/22/78/607732278.db2.gz JEQHJKRMNHOROK-CYBMUJFWSA-N -1 3 378.396 0.754 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826448118 607732280 /nfs/dbraw/zinc/73/22/80/607732280.db2.gz JEQHJKRMNHOROK-CYBMUJFWSA-N -1 3 378.396 0.754 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826445081 607823896 /nfs/dbraw/zinc/82/38/96/607823896.db2.gz GKZIBSINHIHIND-MJBXVCDLSA-N -1 3 383.412 0.768 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826445081 607823897 /nfs/dbraw/zinc/82/38/97/607823897.db2.gz GKZIBSINHIHIND-MJBXVCDLSA-N -1 3 383.412 0.768 20 50 GCGDHM CC1(C)C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824790537 607837560 /nfs/dbraw/zinc/83/75/60/607837560.db2.gz ODYQUODIQXJKIS-GFCCVEGCSA-N -1 3 389.416 0.534 20 50 GCGDHM Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000826395927 607856649 /nfs/dbraw/zinc/85/66/49/607856649.db2.gz YTFZMQHDSNEKTI-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000826395927 607856650 /nfs/dbraw/zinc/85/66/50/607856650.db2.gz YTFZMQHDSNEKTI-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM CC1=C(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCO1 ZINC000824853029 607918936 /nfs/dbraw/zinc/91/89/36/607918936.db2.gz VGSHYYVGPMKGMK-UHFFFAOYSA-N -1 3 386.368 0.255 20 50 GCGDHM CC1=C(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC000824853029 607918937 /nfs/dbraw/zinc/91/89/37/607918937.db2.gz VGSHYYVGPMKGMK-UHFFFAOYSA-N -1 3 386.368 0.255 20 50 GCGDHM O=C(CN1CCO[C@@H]2CCCC[C@@H]21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411363 607922026 /nfs/dbraw/zinc/92/20/26/607922026.db2.gz WBYDPIJVALIINQ-LSDHHAIUSA-N -1 3 385.428 0.271 20 50 GCGDHM O=C(CN1CCO[C@@H]2CCCC[C@@H]21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411363 607922027 /nfs/dbraw/zinc/92/20/27/607922027.db2.gz WBYDPIJVALIINQ-LSDHHAIUSA-N -1 3 385.428 0.271 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H](CO)c1ccccc1 ZINC000825892152 607922523 /nfs/dbraw/zinc/92/25/23/607922523.db2.gz HBOYLRGSQVAXAH-INIZCTEOSA-N -1 3 395.423 0.293 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](CO)c1ccccc1 ZINC000825892152 607922524 /nfs/dbraw/zinc/92/25/24/607922524.db2.gz HBOYLRGSQVAXAH-INIZCTEOSA-N -1 3 395.423 0.293 20 50 GCGDHM CC(C)(C)CN(CCC#N)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824087311 607923275 /nfs/dbraw/zinc/92/32/75/607923275.db2.gz SVSZNTISMWMKJB-UHFFFAOYSA-N -1 3 384.444 0.889 20 50 GCGDHM CC(C)(C)CN(CCC#N)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824087311 607923276 /nfs/dbraw/zinc/92/32/76/607923276.db2.gz SVSZNTISMWMKJB-UHFFFAOYSA-N -1 3 384.444 0.889 20 50 GCGDHM Cc1cccc2c1N(CC(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826305237 607924172 /nfs/dbraw/zinc/92/41/72/607924172.db2.gz PNXMNZCVEREHJA-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM Cc1cccc2c1N(CC(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826305237 607924173 /nfs/dbraw/zinc/92/41/73/607924173.db2.gz PNXMNZCVEREHJA-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM CN1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000826038820 607925279 /nfs/dbraw/zinc/92/52/79/607925279.db2.gz YJERJLTZSWQQKA-UHFFFAOYSA-N -1 3 392.423 0.584 20 50 GCGDHM CN1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000826038820 607925280 /nfs/dbraw/zinc/92/52/80/607925280.db2.gz YJERJLTZSWQQKA-UHFFFAOYSA-N -1 3 392.423 0.584 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=S)NC[C@@H]1CCCCO1 ZINC000826419381 607966930 /nfs/dbraw/zinc/96/69/30/607966930.db2.gz VGPAPICJLQRULL-NSHDSACASA-N -1 3 391.457 0.310 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=S)NC[C@@H]1CCCCO1 ZINC000826419381 607966931 /nfs/dbraw/zinc/96/69/31/607966931.db2.gz VGPAPICJLQRULL-NSHDSACASA-N -1 3 391.457 0.310 20 50 GCGDHM CCS(=O)(=O)CCN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825659439 608008556 /nfs/dbraw/zinc/00/85/56/608008556.db2.gz TVBWQGUEYKZAOK-JYRVWZFOSA-N -1 3 391.457 0.314 20 50 GCGDHM CCS(=O)(=O)CCN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825659439 608008557 /nfs/dbraw/zinc/00/85/57/608008557.db2.gz TVBWQGUEYKZAOK-JYRVWZFOSA-N -1 3 391.457 0.314 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235785 608078791 /nfs/dbraw/zinc/07/87/91/608078791.db2.gz QYHWYYRGXRNEOG-PXTDYPQFSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235785 608078792 /nfs/dbraw/zinc/07/87/92/608078792.db2.gz QYHWYYRGXRNEOG-PXTDYPQFSA-N -1 3 383.334 0.850 20 50 GCGDHM COC(=O)[C@H](CC(F)F)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826104196 608090135 /nfs/dbraw/zinc/09/01/35/608090135.db2.gz RNKFBVIDAZWSDH-FGUAACIASA-N -1 3 393.354 0.734 20 50 GCGDHM COC(=O)[C@H](CC(F)F)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826104196 608090136 /nfs/dbraw/zinc/09/01/36/608090136.db2.gz RNKFBVIDAZWSDH-FGUAACIASA-N -1 3 393.354 0.734 20 50 GCGDHM COC(=O)[C@H](CC(F)F)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826104197 608090273 /nfs/dbraw/zinc/09/02/73/608090273.db2.gz RNKFBVIDAZWSDH-INJWIWPUSA-N -1 3 393.354 0.734 20 50 GCGDHM COC(=O)[C@H](CC(F)F)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826104197 608090274 /nfs/dbraw/zinc/09/02/74/608090274.db2.gz RNKFBVIDAZWSDH-INJWIWPUSA-N -1 3 393.354 0.734 20 50 GCGDHM O=C(CN1CCOCC12CCCC2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411170 608104956 /nfs/dbraw/zinc/10/49/56/608104956.db2.gz NQXVICZBJMGHEB-UHFFFAOYSA-N -1 3 385.428 0.273 20 50 GCGDHM O=C(CN1CCOCC12CCCC2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411170 608104957 /nfs/dbraw/zinc/10/49/57/608104957.db2.gz NQXVICZBJMGHEB-UHFFFAOYSA-N -1 3 385.428 0.273 20 50 GCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826449515 608142356 /nfs/dbraw/zinc/14/23/56/608142356.db2.gz WQCLMYHVNOIKCA-UHFFFAOYSA-N -1 3 386.303 0.996 20 50 GCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826449515 608142357 /nfs/dbraw/zinc/14/23/57/608142357.db2.gz WQCLMYHVNOIKCA-UHFFFAOYSA-N -1 3 386.303 0.996 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)CN2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000826235676 608142742 /nfs/dbraw/zinc/14/27/42/608142742.db2.gz OTHKBPFLITWGNX-AZZDOICSSA-N -1 3 385.428 0.685 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)CN2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000826235677 608142950 /nfs/dbraw/zinc/14/29/50/608142950.db2.gz OTHKBPFLITWGNX-IYVNWDGISA-N -1 3 385.428 0.685 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826235587 608202809 /nfs/dbraw/zinc/20/28/09/608202809.db2.gz MPJOWDZRXXMRQP-KONPVMDUSA-N -1 3 397.439 0.875 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235587 608202811 /nfs/dbraw/zinc/20/28/11/608202811.db2.gz MPJOWDZRXXMRQP-KONPVMDUSA-N -1 3 397.439 0.875 20 50 GCGDHM O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826441500 608259605 /nfs/dbraw/zinc/25/96/05/608259605.db2.gz HLVKVVMGWQUURZ-UHFFFAOYSA-N -1 3 399.798 0.598 20 50 GCGDHM O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826441500 608259606 /nfs/dbraw/zinc/25/96/06/608259606.db2.gz HLVKVVMGWQUURZ-UHFFFAOYSA-N -1 3 399.798 0.598 20 50 GCGDHM C[C@@H]1CSC(SCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)=N1 ZINC000825013046 608265749 /nfs/dbraw/zinc/26/57/49/608265749.db2.gz NTLSNNNOYCQXIE-MRVPVSSYSA-N -1 3 377.455 0.852 20 50 GCGDHM C[C@@H]1CSC(SCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)=N1 ZINC000825013046 608265750 /nfs/dbraw/zinc/26/57/50/608265750.db2.gz NTLSNNNOYCQXIE-MRVPVSSYSA-N -1 3 377.455 0.852 20 50 GCGDHM Cc1c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1C1CCOCC1 ZINC000826234445 608341064 /nfs/dbraw/zinc/34/10/64/608341064.db2.gz XBAUZUZMXCHXLH-UHFFFAOYSA-N -1 3 396.411 0.798 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccccn2)cc(-c2nnn[n-]2)n1C ZINC000826235398 608381152 /nfs/dbraw/zinc/38/11/52/608381152.db2.gz JFMADEMLQRNUPF-VXXVJXPCSA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccccn2)cc(-c2nn[n-]n2)n1C ZINC000826235398 608381154 /nfs/dbraw/zinc/38/11/54/608381154.db2.gz JFMADEMLQRNUPF-VXXVJXPCSA-N -1 3 378.396 0.665 20 50 GCGDHM COC(=O)[C@H](C)n1cccc1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826104469 608388469 /nfs/dbraw/zinc/38/84/69/608388469.db2.gz XBOHJLLNNJCYOE-LBPRGKRZSA-N -1 3 397.395 0.931 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444872 608412647 /nfs/dbraw/zinc/41/26/47/608412647.db2.gz XYTZPKAUTIYVMM-CYBMUJFWSA-N -1 3 381.400 0.824 20 50 GCGDHM Cc1nn(C)c(C)c1CCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826333605 608413758 /nfs/dbraw/zinc/41/37/58/608413758.db2.gz ODTNRYXXDKJXSM-UHFFFAOYSA-N -1 3 397.443 0.794 20 50 GCGDHM Cc1nn(C)c(C)c1CCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826333605 608413759 /nfs/dbraw/zinc/41/37/59/608413759.db2.gz ODTNRYXXDKJXSM-UHFFFAOYSA-N -1 3 397.443 0.794 20 50 GCGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000824892265 608492599 /nfs/dbraw/zinc/49/25/99/608492599.db2.gz GDRYOBNRIQSXHC-PTEHBNRSSA-N -1 3 389.416 0.532 20 50 GCGDHM CC[C@H](CSC)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825125177 608537793 /nfs/dbraw/zinc/53/77/93/608537793.db2.gz BAIJTXKTNSCDAF-LLVKDONJSA-N -1 3 379.446 0.718 20 50 GCGDHM CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826146399 608538343 /nfs/dbraw/zinc/53/83/43/608538343.db2.gz VINLEFROAYBBRV-TZMCWYRMSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](CCO)C1(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000824406175 608589746 /nfs/dbraw/zinc/58/97/46/608589746.db2.gz FEPNQCGYLAYGTP-GFCCVEGCSA-N -1 3 387.444 1.000 20 50 GCGDHM C[C@H](CCO)C1(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000824406175 608589749 /nfs/dbraw/zinc/58/97/49/608589749.db2.gz FEPNQCGYLAYGTP-GFCCVEGCSA-N -1 3 387.444 1.000 20 50 GCGDHM O=C(NCCC1CCS(=O)(=O)CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826436159 608619086 /nfs/dbraw/zinc/61/90/86/608619086.db2.gz KGJVPNQTUHVFQC-UHFFFAOYSA-N -1 3 379.446 0.708 20 50 GCGDHM O=C(NCCC1CCS(=O)(=O)CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826436159 608619089 /nfs/dbraw/zinc/61/90/89/608619089.db2.gz KGJVPNQTUHVFQC-UHFFFAOYSA-N -1 3 379.446 0.708 20 50 GCGDHM CON(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000826166506 609145047 /nfs/dbraw/zinc/14/50/47/609145047.db2.gz OBSRPXDVRHQNPQ-UHFFFAOYSA-N -1 3 381.396 0.691 20 50 GCGDHM CON(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000826166506 609145048 /nfs/dbraw/zinc/14/50/48/609145048.db2.gz OBSRPXDVRHQNPQ-UHFFFAOYSA-N -1 3 381.396 0.691 20 50 GCGDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824100528 609150450 /nfs/dbraw/zinc/15/04/50/609150450.db2.gz TYAJZLJGVBMIPM-GOSISDBHSA-N -1 3 399.411 0.889 20 50 GCGDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824100528 609150451 /nfs/dbraw/zinc/15/04/51/609150451.db2.gz TYAJZLJGVBMIPM-GOSISDBHSA-N -1 3 399.411 0.889 20 50 GCGDHM COCCOc1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000826160731 609183467 /nfs/dbraw/zinc/18/34/67/609183467.db2.gz CYGLHHOMSVOTTI-UHFFFAOYSA-N -1 3 383.368 0.362 20 50 GCGDHM O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826421539 609183751 /nfs/dbraw/zinc/18/37/51/609183751.db2.gz MQLKTVYVFXTFQJ-QGZVFWFLSA-N -1 3 391.391 0.772 20 50 GCGDHM O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826421539 609183752 /nfs/dbraw/zinc/18/37/52/609183752.db2.gz MQLKTVYVFXTFQJ-QGZVFWFLSA-N -1 3 391.391 0.772 20 50 GCGDHM O=C(NNc1c(F)c(F)nc(F)c1F)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444971 609184474 /nfs/dbraw/zinc/18/44/74/609184474.db2.gz BEYAWHVHAHEVDG-JTQLQIEISA-N -1 3 383.265 0.995 20 50 GCGDHM O=C(NNc1c(F)c(F)nc(F)c1F)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444971 609184476 /nfs/dbraw/zinc/18/44/76/609184476.db2.gz BEYAWHVHAHEVDG-JTQLQIEISA-N -1 3 383.265 0.995 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCC[C@H]1CCCCO1 ZINC000826417444 609211422 /nfs/dbraw/zinc/21/14/22/609211422.db2.gz RFDOYZZVTACEGK-CYBMUJFWSA-N -1 3 389.416 0.535 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000826187372 609225412 /nfs/dbraw/zinc/22/54/12/609225412.db2.gz NBPDGMIZGPGUEO-OAHLLOKOSA-N -1 3 398.379 0.379 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000826187372 609225413 /nfs/dbraw/zinc/22/54/13/609225413.db2.gz NBPDGMIZGPGUEO-OAHLLOKOSA-N -1 3 398.379 0.379 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235161 609295356 /nfs/dbraw/zinc/29/53/56/609295356.db2.gz DJTKLXJEMUFJNU-LHJMJDNXSA-N -1 3 383.334 0.802 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235161 609295358 /nfs/dbraw/zinc/29/53/58/609295358.db2.gz DJTKLXJEMUFJNU-LHJMJDNXSA-N -1 3 383.334 0.802 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H](OC(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444886 609322570 /nfs/dbraw/zinc/32/25/70/609322570.db2.gz YGXYJGQAOMQQLO-NSHDSACASA-N -1 3 381.343 0.925 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H](OC(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444886 609322572 /nfs/dbraw/zinc/32/25/72/609322572.db2.gz YGXYJGQAOMQQLO-NSHDSACASA-N -1 3 381.343 0.925 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H](OC(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444598 609322576 /nfs/dbraw/zinc/32/25/76/609322576.db2.gz MXVQAOIGXCCSRB-LLVKDONJSA-N -1 3 381.343 0.925 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H](OC(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444598 609322579 /nfs/dbraw/zinc/32/25/79/609322579.db2.gz MXVQAOIGXCCSRB-LLVKDONJSA-N -1 3 381.343 0.925 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H]2CCS(=O)(=O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235339 609388866 /nfs/dbraw/zinc/38/88/66/609388866.db2.gz HUYRSMJXSGAYHD-CGGVXGFASA-N -1 3 390.425 0.399 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H]2CCS(=O)(=O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235339 609388869 /nfs/dbraw/zinc/38/88/69/609388869.db2.gz HUYRSMJXSGAYHD-CGGVXGFASA-N -1 3 390.425 0.399 20 50 GCGDHM CC1(C)CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824796892 609392853 /nfs/dbraw/zinc/39/28/53/609392853.db2.gz UCISPRAYBICSLY-CYBMUJFWSA-N -1 3 386.412 0.997 20 50 GCGDHM CC1(C)CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824796892 609392854 /nfs/dbraw/zinc/39/28/54/609392854.db2.gz UCISPRAYBICSLY-CYBMUJFWSA-N -1 3 386.412 0.997 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)c2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000826235976 609393496 /nfs/dbraw/zinc/39/34/96/609393496.db2.gz VWIWWRDGGLWSDJ-NQADCFBISA-N -1 3 381.400 0.004 20 50 GCGDHM O=C(CN[C@@H](CO)c1cccc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826412430 609425278 /nfs/dbraw/zinc/42/52/78/609425278.db2.gz NSJSYIGFUAVFLY-HNNXBMFYSA-N -1 3 399.386 0.090 20 50 GCGDHM CCN(Cc1cn(C)nn1)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825439873 609430040 /nfs/dbraw/zinc/43/00/40/609430040.db2.gz RPDHAZGACYFBHX-AWNIVKPZSA-N -1 3 380.416 0.598 20 50 GCGDHM CCN(Cc1cn(C)nn1)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825439873 609430041 /nfs/dbraw/zinc/43/00/41/609430041.db2.gz RPDHAZGACYFBHX-AWNIVKPZSA-N -1 3 380.416 0.598 20 50 GCGDHM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824770043 609443323 /nfs/dbraw/zinc/44/33/23/609443323.db2.gz CYJCJSNFOILTTB-LRDDRELGSA-N -1 3 395.423 0.975 20 50 GCGDHM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824770043 609443326 /nfs/dbraw/zinc/44/33/26/609443326.db2.gz CYJCJSNFOILTTB-LRDDRELGSA-N -1 3 395.423 0.975 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)Cc1ccccc1 ZINC000826445176 609444964 /nfs/dbraw/zinc/44/49/64/609444964.db2.gz JTNBCZJONYXQER-OAHLLOKOSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)Cc1ccccc1 ZINC000826445176 609444965 /nfs/dbraw/zinc/44/49/65/609444965.db2.gz JTNBCZJONYXQER-OAHLLOKOSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)c1ccc(F)cc1 ZINC000826445131 609444988 /nfs/dbraw/zinc/44/49/88/609444988.db2.gz IBTPNOGOLCQUHB-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)c1ccc(F)cc1 ZINC000826445131 609444989 /nfs/dbraw/zinc/44/49/89/609444989.db2.gz IBTPNOGOLCQUHB-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM CCOC(=O)[C@@H](CC(C)C)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825486778 609448353 /nfs/dbraw/zinc/44/83/53/609448353.db2.gz YMMREBYVBKVPAC-CYBMUJFWSA-N -1 3 376.417 0.844 20 50 GCGDHM CCOC(=O)[C@@H](CC(C)C)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825486778 609448355 /nfs/dbraw/zinc/44/83/55/609448355.db2.gz YMMREBYVBKVPAC-CYBMUJFWSA-N -1 3 376.417 0.844 20 50 GCGDHM O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826422727 609500840 /nfs/dbraw/zinc/50/08/40/609500840.db2.gz JVPBOKCKOVQGEQ-UHFFFAOYSA-N -1 3 377.364 0.365 20 50 GCGDHM O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826422727 609500843 /nfs/dbraw/zinc/50/08/43/609500843.db2.gz JVPBOKCKOVQGEQ-UHFFFAOYSA-N -1 3 377.364 0.365 20 50 GCGDHM O=C(NNC(=O)c1ccccc1-n1ccnn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826445575 609500910 /nfs/dbraw/zinc/50/09/10/609500910.db2.gz ZQRYUBGSCOHGCZ-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1ccccc1-n1ccnn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445575 609500913 /nfs/dbraw/zinc/50/09/13/609500913.db2.gz ZQRYUBGSCOHGCZ-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826388921 609505417 /nfs/dbraw/zinc/50/54/17/609505417.db2.gz MFGKZKCCVAQQBW-HNNXBMFYSA-N -1 3 399.386 0.102 20 50 GCGDHM NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826389041 609505442 /nfs/dbraw/zinc/50/54/42/609505442.db2.gz OVNOJLWLXXASOM-AWEZNQCLSA-N -1 3 399.386 0.102 20 50 GCGDHM NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826389041 609505444 /nfs/dbraw/zinc/50/54/44/609505444.db2.gz OVNOJLWLXXASOM-AWEZNQCLSA-N -1 3 399.386 0.102 20 50 GCGDHM CN(C)c1ncc(CN(C)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825991660 609598330 /nfs/dbraw/zinc/59/83/30/609598330.db2.gz GAFCXGQDMHZFQU-UHFFFAOYSA-N -1 3 396.415 0.209 20 50 GCGDHM CN(C)c1ncc(CN(C)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825991660 609598334 /nfs/dbraw/zinc/59/83/34/609598334.db2.gz GAFCXGQDMHZFQU-UHFFFAOYSA-N -1 3 396.415 0.209 20 50 GCGDHM Cc1cccn2cc(CC(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)nc12 ZINC000737432865 945064428 /nfs/dbraw/zinc/06/44/28/945064428.db2.gz DHJBYAHMZFSMCT-UHFFFAOYSA-N -1 3 376.380 0.827 20 50 GCGDHM Cc1cccn2cc(CC(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)nc12 ZINC000737432865 945064444 /nfs/dbraw/zinc/06/44/44/945064444.db2.gz DHJBYAHMZFSMCT-UHFFFAOYSA-N -1 3 376.380 0.827 20 50 GCGDHM Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737513430 945086053 /nfs/dbraw/zinc/08/60/53/945086053.db2.gz MTVVKIMREFULAM-SNVBAGLBSA-N -1 3 399.415 0.379 20 50 GCGDHM Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737513430 945086059 /nfs/dbraw/zinc/08/60/59/945086059.db2.gz MTVVKIMREFULAM-SNVBAGLBSA-N -1 3 399.415 0.379 20 50 GCGDHM Cc1noc([C@H]2CCCN(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000737533447 945088666 /nfs/dbraw/zinc/08/86/66/945088666.db2.gz AMLPLBCOEOKTNM-ZDUSSCGKSA-N -1 3 397.399 0.792 20 50 GCGDHM Cc1noc([C@H]2CCCN(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000737533447 945088674 /nfs/dbraw/zinc/08/86/74/945088674.db2.gz AMLPLBCOEOKTNM-ZDUSSCGKSA-N -1 3 397.399 0.792 20 50 GCGDHM N#Cc1ccc(NCCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737719894 945116407 /nfs/dbraw/zinc/11/64/07/945116407.db2.gz WSOFWJWXCYMBIE-UHFFFAOYSA-N -1 3 392.383 0.189 20 50 GCGDHM N#Cc1ccc(NCCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737719894 945116411 /nfs/dbraw/zinc/11/64/11/945116411.db2.gz WSOFWJWXCYMBIE-UHFFFAOYSA-N -1 3 392.383 0.189 20 50 GCGDHM NC(=O)[C@H](NNC(=O)c1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738676 945120166 /nfs/dbraw/zinc/12/01/66/945120166.db2.gz WGMAWGLTAYWXDG-MRXNPFEDSA-N -1 3 388.391 0.876 20 50 GCGDHM NC(=O)[C@H](NNC(=O)c1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738676 945120172 /nfs/dbraw/zinc/12/01/72/945120172.db2.gz WGMAWGLTAYWXDG-MRXNPFEDSA-N -1 3 388.391 0.876 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)c1cc2c(s1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737919 945120592 /nfs/dbraw/zinc/12/05/92/945120592.db2.gz SMSUEKSFGHEEPP-AWEZNQCLSA-N -1 3 383.437 0.878 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)c1cc2c(s1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737919 945120600 /nfs/dbraw/zinc/12/06/00/945120600.db2.gz SMSUEKSFGHEEPP-AWEZNQCLSA-N -1 3 383.437 0.878 20 50 GCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNC(=O)NC2CCCC2)cc1 ZINC000737777233 945124524 /nfs/dbraw/zinc/12/45/24/945124524.db2.gz RBRUCMWLDGBGSS-UHFFFAOYSA-N -1 3 396.415 0.521 20 50 GCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNC(=O)NC2CCCC2)cc1 ZINC000737777233 945124526 /nfs/dbraw/zinc/12/45/26/945124526.db2.gz RBRUCMWLDGBGSS-UHFFFAOYSA-N -1 3 396.415 0.521 20 50 GCGDHM O=C(C[C@H]1C(=O)Nc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737813982 945129253 /nfs/dbraw/zinc/12/92/53/945129253.db2.gz MVKRTTCUYLLWID-CYBMUJFWSA-N -1 3 377.364 0.754 20 50 GCGDHM O=C(C[C@H]1C(=O)Nc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737813982 945129262 /nfs/dbraw/zinc/12/92/62/945129262.db2.gz MVKRTTCUYLLWID-CYBMUJFWSA-N -1 3 377.364 0.754 20 50 GCGDHM O=C(CCc1nc(-c2ccoc2)no1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737859436 945141455 /nfs/dbraw/zinc/14/14/55/945141455.db2.gz FFZCDCYSIUCEHV-UHFFFAOYSA-N -1 3 394.351 0.904 20 50 GCGDHM O=C(CCc1nc(-c2ccoc2)no1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737859436 945141458 /nfs/dbraw/zinc/14/14/58/945141458.db2.gz FFZCDCYSIUCEHV-UHFFFAOYSA-N -1 3 394.351 0.904 20 50 GCGDHM O=C(CNC(=O)c1cccc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737892692 945146750 /nfs/dbraw/zinc/14/67/50/945146750.db2.gz YZAZMUREDQESBP-UHFFFAOYSA-N -1 3 383.343 0.197 20 50 GCGDHM O=C(CNC(=O)c1cccc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737892692 945146757 /nfs/dbraw/zinc/14/67/57/945146757.db2.gz YZAZMUREDQESBP-UHFFFAOYSA-N -1 3 383.343 0.197 20 50 GCGDHM O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737891999 945147154 /nfs/dbraw/zinc/14/71/54/945147154.db2.gz QFXRQCXADDSWJV-UHFFFAOYSA-N -1 3 383.343 0.197 20 50 GCGDHM O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737891999 945147161 /nfs/dbraw/zinc/14/71/61/945147161.db2.gz QFXRQCXADDSWJV-UHFFFAOYSA-N -1 3 383.343 0.197 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCc1cccc(CO)c1 ZINC000737919181 945152499 /nfs/dbraw/zinc/15/24/99/945152499.db2.gz PHMKITHNLSENCN-UHFFFAOYSA-N -1 3 397.395 0.268 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1CCOc2ccccc21 ZINC000737919849 945153547 /nfs/dbraw/zinc/15/35/47/945153547.db2.gz YKNGMJRBTHMQCA-OAHLLOKOSA-N -1 3 394.391 0.959 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCCOCC1CC1 ZINC000737932154 945159994 /nfs/dbraw/zinc/15/99/94/945159994.db2.gz SKDPLXYUQNOWQT-UHFFFAOYSA-N -1 3 375.389 0.003 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCCOCC1CC1 ZINC000737932154 945159999 /nfs/dbraw/zinc/15/99/99/945159999.db2.gz SKDPLXYUQNOWQT-UHFFFAOYSA-N -1 3 375.389 0.003 20 50 GCGDHM O=C(CSc1nncn1C1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737954065 945164666 /nfs/dbraw/zinc/16/46/66/945164666.db2.gz TUUUFRICHJPFKP-UHFFFAOYSA-N -1 3 385.413 0.346 20 50 GCGDHM O=C(CSc1nncn1C1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737954065 945164668 /nfs/dbraw/zinc/16/46/68/945164668.db2.gz TUUUFRICHJPFKP-UHFFFAOYSA-N -1 3 385.413 0.346 20 50 GCGDHM O=C(Cn1c(=O)[nH]c2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737981214 945170825 /nfs/dbraw/zinc/17/08/25/945170825.db2.gz JYFCZBKCAQDBES-UHFFFAOYSA-N -1 3 378.352 0.383 20 50 GCGDHM O=C(Cn1c(=O)[nH]c2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737981214 945170830 /nfs/dbraw/zinc/17/08/30/945170830.db2.gz JYFCZBKCAQDBES-UHFFFAOYSA-N -1 3 378.352 0.383 20 50 GCGDHM O=C(NC[C@H](O)Cc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738040047 945175457 /nfs/dbraw/zinc/17/54/57/945175457.db2.gz ORGKFKGAYSPSST-OAHLLOKOSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NC[C@H](O)Cc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738040047 945175461 /nfs/dbraw/zinc/17/54/61/945175461.db2.gz ORGKFKGAYSPSST-OAHLLOKOSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NCCCN1CCCCC1=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738064690 945180820 /nfs/dbraw/zinc/18/08/20/945180820.db2.gz DIYHLCGLEXDLRG-UHFFFAOYSA-N -1 3 386.416 0.213 20 50 GCGDHM O=C(NCCCN1CCCCC1=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738064690 945180824 /nfs/dbraw/zinc/18/08/24/945180824.db2.gz DIYHLCGLEXDLRG-UHFFFAOYSA-N -1 3 386.416 0.213 20 50 GCGDHM O=C(NCCc1nc2ccccc2[nH]1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738087257 945184313 /nfs/dbraw/zinc/18/43/13/945184313.db2.gz CFGWAPRLOSFVBD-UHFFFAOYSA-N -1 3 391.395 0.930 20 50 GCGDHM O=C(NCCc1nc2ccccc2[nH]1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738087257 945184328 /nfs/dbraw/zinc/18/43/28/945184328.db2.gz CFGWAPRLOSFVBD-UHFFFAOYSA-N -1 3 391.395 0.930 20 50 GCGDHM O=C(NCCOC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738081630 945183344 /nfs/dbraw/zinc/18/33/44/945183344.db2.gz FPIFOXJGJOLTSI-ZDUSSCGKSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCCOC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738081630 945183351 /nfs/dbraw/zinc/18/33/51/945183351.db2.gz FPIFOXJGJOLTSI-ZDUSSCGKSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738113142 945192455 /nfs/dbraw/zinc/19/24/55/945192455.db2.gz VKVQFEKYYJZDTN-UHFFFAOYSA-N -1 3 382.340 0.919 20 50 GCGDHM O=C(NCc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738113142 945192459 /nfs/dbraw/zinc/19/24/59/945192459.db2.gz VKVQFEKYYJZDTN-UHFFFAOYSA-N -1 3 382.340 0.919 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129616 945203555 /nfs/dbraw/zinc/20/35/55/945203555.db2.gz FHWKIRZLBOJCKK-CQSZACIVSA-N -1 3 391.391 0.681 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129616 945203565 /nfs/dbraw/zinc/20/35/65/945203565.db2.gz FHWKIRZLBOJCKK-CQSZACIVSA-N -1 3 391.391 0.681 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130249 945208467 /nfs/dbraw/zinc/20/84/67/945208467.db2.gz OIZDKYLMMRCHOU-AWEZNQCLSA-N -1 3 397.439 0.809 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130249 945208473 /nfs/dbraw/zinc/20/84/73/945208473.db2.gz OIZDKYLMMRCHOU-AWEZNQCLSA-N -1 3 397.439 0.809 20 50 GCGDHM O=C(NNC(=O)c1cnc2sccn2c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738134291 945219569 /nfs/dbraw/zinc/21/95/69/945219569.db2.gz JVAHHNACZJQWIZ-UHFFFAOYSA-N -1 3 382.365 0.011 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000738134652 945221030 /nfs/dbraw/zinc/22/10/30/945221030.db2.gz PXGAENMENPXUGQ-UHFFFAOYSA-N -1 3 393.363 0.898 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000738134652 945221039 /nfs/dbraw/zinc/22/10/39/945221039.db2.gz PXGAENMENPXUGQ-UHFFFAOYSA-N -1 3 393.363 0.898 20 50 GCGDHM O=C(NNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738136194 945230262 /nfs/dbraw/zinc/23/02/62/945230262.db2.gz HNTKMFFRXVZXNG-UHFFFAOYSA-N -1 3 398.427 0.212 20 50 GCGDHM O=C(NNC(=O)N1CCC(NC(=O)C2CC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738136194 945230267 /nfs/dbraw/zinc/23/02/67/945230267.db2.gz HNTKMFFRXVZXNG-UHFFFAOYSA-N -1 3 398.427 0.212 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000738137273 945242466 /nfs/dbraw/zinc/24/24/66/945242466.db2.gz SWHHGJCYEBSJRT-LLVKDONJSA-N -1 3 398.349 0.447 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000738137273 945242472 /nfs/dbraw/zinc/24/24/72/945242472.db2.gz SWHHGJCYEBSJRT-LLVKDONJSA-N -1 3 398.349 0.447 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H](N2CCCC2=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738137568 945244048 /nfs/dbraw/zinc/24/40/48/945244048.db2.gz VPKDHBDSWWEFMT-AWEZNQCLSA-N -1 3 398.427 0.308 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H](N2CCCC2=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738137568 945244054 /nfs/dbraw/zinc/24/40/54/945244054.db2.gz VPKDHBDSWWEFMT-AWEZNQCLSA-N -1 3 398.427 0.308 20 50 GCGDHM O=C(NNC(=O)c1ccc2c(c1)NC(=O)CS2)c1cccc(-c2nnn[n-]2)c1 ZINC000738307357 945259632 /nfs/dbraw/zinc/25/96/32/945259632.db2.gz RYXNLSKDXLWMCE-UHFFFAOYSA-N -1 3 395.404 0.986 20 50 GCGDHM O=C(NNC(=O)c1ccc2c(c1)NC(=O)CS2)c1cccc(-c2nn[n-]n2)c1 ZINC000738307357 945259643 /nfs/dbraw/zinc/25/96/43/945259643.db2.gz RYXNLSKDXLWMCE-UHFFFAOYSA-N -1 3 395.404 0.986 20 50 GCGDHM CC(=O)Nc1ccccc1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819827074 945295728 /nfs/dbraw/zinc/29/57/28/945295728.db2.gz RMKOGDGHLCCSGC-UHFFFAOYSA-N -1 3 394.395 0.969 20 50 GCGDHM CC(=O)Nc1ccccc1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819827074 945295732 /nfs/dbraw/zinc/29/57/32/945295732.db2.gz RMKOGDGHLCCSGC-UHFFFAOYSA-N -1 3 394.395 0.969 20 50 GCGDHM CC(=O)Nc1cncc(C(=O)NNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000819825989 945296898 /nfs/dbraw/zinc/29/68/98/945296898.db2.gz BMRJGCWCPUNPAF-UHFFFAOYSA-N -1 3 397.424 0.852 20 50 GCGDHM CC(=O)Nc1cncc(C(=O)NNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000819825989 945296904 /nfs/dbraw/zinc/29/69/04/945296904.db2.gz BMRJGCWCPUNPAF-UHFFFAOYSA-N -1 3 397.424 0.852 20 50 GCGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCN(C)CC1 ZINC000819865369 945299820 /nfs/dbraw/zinc/29/98/20/945299820.db2.gz DAEVVHHARWXPBQ-SNVBAGLBSA-N -1 3 398.393 0.965 20 50 GCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000819882454 945306617 /nfs/dbraw/zinc/30/66/17/945306617.db2.gz ACXFPCUAXSZHPG-ZETCQYMHSA-N -1 3 386.290 0.369 20 50 GCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000819882454 945306625 /nfs/dbraw/zinc/30/66/25/945306625.db2.gz ACXFPCUAXSZHPG-ZETCQYMHSA-N -1 3 386.290 0.369 20 50 GCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819884752 945307832 /nfs/dbraw/zinc/30/78/32/945307832.db2.gz ZAJSVSVLCOVUFF-LLVKDONJSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819884752 945307840 /nfs/dbraw/zinc/30/78/40/945307840.db2.gz ZAJSVSVLCOVUFF-LLVKDONJSA-N -1 3 386.412 0.997 20 50 GCGDHM CC(C)(C)n1ncc2c1nc(NNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)[nH]c2=O ZINC000819975874 945320979 /nfs/dbraw/zinc/32/09/79/945320979.db2.gz DSOKUMCOHCFAFF-UHFFFAOYSA-N -1 3 383.376 0.552 20 50 GCGDHM CC(C)(C)n1ncc2c1nc(NNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)[nH]c2=O ZINC000819975874 945320984 /nfs/dbraw/zinc/32/09/84/945320984.db2.gz DSOKUMCOHCFAFF-UHFFFAOYSA-N -1 3 383.376 0.552 20 50 GCGDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1nccn(C)c1=O ZINC000820032168 945334149 /nfs/dbraw/zinc/33/41/49/945334149.db2.gz LSRXXHNXZLSWLK-ZDUSSCGKSA-N -1 3 384.400 0.507 20 50 GCGDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1nccn(C)c1=O ZINC000820032168 945334158 /nfs/dbraw/zinc/33/41/58/945334158.db2.gz LSRXXHNXZLSWLK-ZDUSSCGKSA-N -1 3 384.400 0.507 20 50 GCGDHM CC(C)SCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820183788 945368296 /nfs/dbraw/zinc/36/82/96/945368296.db2.gz LKQINERAFXROEX-UHFFFAOYSA-N -1 3 378.414 0.313 20 50 GCGDHM CC(C)SCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820183788 945368309 /nfs/dbraw/zinc/36/83/09/945368309.db2.gz LKQINERAFXROEX-UHFFFAOYSA-N -1 3 378.414 0.313 20 50 GCGDHM C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735403513 944647644 /nfs/dbraw/zinc/64/76/44/944647644.db2.gz XQDVWIYRVNFIJC-UHFFFAOYSA-N -1 3 389.375 0.754 20 50 GCGDHM C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735403513 944647652 /nfs/dbraw/zinc/64/76/52/944647652.db2.gz XQDVWIYRVNFIJC-UHFFFAOYSA-N -1 3 389.375 0.754 20 50 GCGDHM C=CC(=O)NCc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735402706 944648332 /nfs/dbraw/zinc/64/83/32/944648332.db2.gz HKAOPIWGLNLIKN-UHFFFAOYSA-N -1 3 391.391 0.744 20 50 GCGDHM C=CC(=O)NCc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735402706 944648337 /nfs/dbraw/zinc/64/83/37/944648337.db2.gz HKAOPIWGLNLIKN-UHFFFAOYSA-N -1 3 391.391 0.744 20 50 GCGDHM CC(=O)NC1CCC(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000735476592 944662987 /nfs/dbraw/zinc/66/29/87/944662987.db2.gz YLMABTZOAKUPBD-RIYZIHGNSA-N -1 3 396.455 0.984 20 50 GCGDHM CC(=O)NC1CCC(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000735476592 944662994 /nfs/dbraw/zinc/66/29/94/944662994.db2.gz YLMABTZOAKUPBD-RIYZIHGNSA-N -1 3 396.455 0.984 20 50 GCGDHM CC(=O)N[C@@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000735474052 944663766 /nfs/dbraw/zinc/66/37/66/944663766.db2.gz GXXOLYRJKOWZCU-ZDUSSCGKSA-N -1 3 399.436 0.957 20 50 GCGDHM CC(=O)N[C@@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000735474052 944663775 /nfs/dbraw/zinc/66/37/75/944663775.db2.gz GXXOLYRJKOWZCU-ZDUSSCGKSA-N -1 3 399.436 0.957 20 50 GCGDHM CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735635552 944681205 /nfs/dbraw/zinc/68/12/05/944681205.db2.gz FXDFSVIXZLBFBZ-UHFFFAOYSA-N -1 3 390.404 0.335 20 50 GCGDHM CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735635552 944681209 /nfs/dbraw/zinc/68/12/09/944681209.db2.gz FXDFSVIXZLBFBZ-UHFFFAOYSA-N -1 3 390.404 0.335 20 50 GCGDHM CC(C)OC(=O)CSCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735892085 944711193 /nfs/dbraw/zinc/71/11/93/944711193.db2.gz CUHFRSLMXRZDES-UHFFFAOYSA-N -1 3 378.414 0.313 20 50 GCGDHM CC(C)OC(=O)CSCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735892085 944711201 /nfs/dbraw/zinc/71/12/01/944711201.db2.gz CUHFRSLMXRZDES-UHFFFAOYSA-N -1 3 378.414 0.313 20 50 GCGDHM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CCCCN2CCOCC2)o1 ZINC000735938911 944717072 /nfs/dbraw/zinc/71/70/72/944717072.db2.gz HRPDZDGTGNUMOA-UHFFFAOYSA-N -1 3 378.437 0.924 20 50 GCGDHM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CCCCN2CCOCC2)o1 ZINC000735938911 944717076 /nfs/dbraw/zinc/71/70/76/944717076.db2.gz HRPDZDGTGNUMOA-UHFFFAOYSA-N -1 3 378.437 0.924 20 50 GCGDHM CC(C)n1nccc1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735964094 944727282 /nfs/dbraw/zinc/72/72/82/944727282.db2.gz VGWMHDPVMKPDLT-UHFFFAOYSA-N -1 3 385.388 0.876 20 50 GCGDHM CC(C)n1nccc1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735963086 944727621 /nfs/dbraw/zinc/72/76/21/944727621.db2.gz AFFOUDKHQZNEND-UHFFFAOYSA-N -1 3 385.388 0.876 20 50 GCGDHM CC(C)n1nccc1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735963086 944727632 /nfs/dbraw/zinc/72/76/32/944727632.db2.gz AFFOUDKHQZNEND-UHFFFAOYSA-N -1 3 385.388 0.876 20 50 GCGDHM C[C@H](COCC(F)(F)F)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736038275 944735319 /nfs/dbraw/zinc/73/53/19/944735319.db2.gz TXCSFHQRAJNPBZ-MRVPVSSYSA-N -1 3 387.322 0.778 20 50 GCGDHM C[C@H](COCC(F)(F)F)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736038275 944735326 /nfs/dbraw/zinc/73/53/26/944735326.db2.gz TXCSFHQRAJNPBZ-MRVPVSSYSA-N -1 3 387.322 0.778 20 50 GCGDHM C[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736103685 944739531 /nfs/dbraw/zinc/73/95/31/944739531.db2.gz XRHKVOGAUZIOBD-LLVKDONJSA-N -1 3 385.428 0.713 20 50 GCGDHM C[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736103685 944739535 /nfs/dbraw/zinc/73/95/35/944739535.db2.gz XRHKVOGAUZIOBD-LLVKDONJSA-N -1 3 385.428 0.713 20 50 GCGDHM C[C@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736119486 944742915 /nfs/dbraw/zinc/74/29/15/944742915.db2.gz ZEHHEQUJAFCCPR-NSHDSACASA-N -1 3 394.395 0.838 20 50 GCGDHM C[C@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736119486 944742924 /nfs/dbraw/zinc/74/29/24/944742924.db2.gz ZEHHEQUJAFCCPR-NSHDSACASA-N -1 3 394.395 0.838 20 50 GCGDHM C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736121646 944746055 /nfs/dbraw/zinc/74/60/55/944746055.db2.gz FCRGTKKAUVZRCZ-NSHDSACASA-N -1 3 379.380 0.446 20 50 GCGDHM C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736121646 944746067 /nfs/dbraw/zinc/74/60/67/944746067.db2.gz FCRGTKKAUVZRCZ-NSHDSACASA-N -1 3 379.380 0.446 20 50 GCGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736179115 944753772 /nfs/dbraw/zinc/75/37/72/944753772.db2.gz ZBEWBYBRNOIVHZ-MEBBXXQBSA-N -1 3 399.386 0.621 20 50 GCGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736179115 944753777 /nfs/dbraw/zinc/75/37/77/944753777.db2.gz ZBEWBYBRNOIVHZ-MEBBXXQBSA-N -1 3 399.386 0.621 20 50 GCGDHM C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736227245 944768558 /nfs/dbraw/zinc/76/85/58/944768558.db2.gz KIQJUJDRDMYEGK-QWRGUYRKSA-N -1 3 379.446 0.324 20 50 GCGDHM C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736227245 944768567 /nfs/dbraw/zinc/76/85/67/944768567.db2.gz KIQJUJDRDMYEGK-QWRGUYRKSA-N -1 3 379.446 0.324 20 50 GCGDHM C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736273348 944784970 /nfs/dbraw/zinc/78/49/70/944784970.db2.gz RPVDQIHNGFQKFP-SWLSCSKDSA-N -1 3 388.428 0.988 20 50 GCGDHM CCOC(=O)[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCO1 ZINC000736594592 944852010 /nfs/dbraw/zinc/85/20/10/944852010.db2.gz SUTQBZNZJPPTGD-COSNYCCFSA-N -1 3 399.411 0.211 20 50 GCGDHM CCOC(=O)[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCO1 ZINC000736594592 944852013 /nfs/dbraw/zinc/85/20/13/944852013.db2.gz SUTQBZNZJPPTGD-COSNYCCFSA-N -1 3 399.411 0.211 20 50 GCGDHM CCOc1ncccc1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736657759 944863504 /nfs/dbraw/zinc/86/35/04/944863504.db2.gz WOSJKAQDINJHRZ-UHFFFAOYSA-N -1 3 382.384 0.805 20 50 GCGDHM CCOc1ncccc1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736657759 944863510 /nfs/dbraw/zinc/86/35/10/944863510.db2.gz WOSJKAQDINJHRZ-UHFFFAOYSA-N -1 3 382.384 0.805 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736897433 944908496 /nfs/dbraw/zinc/90/84/96/944908496.db2.gz MDPIMSRMNKNSIJ-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736897433 944908504 /nfs/dbraw/zinc/90/85/04/944908504.db2.gz MDPIMSRMNKNSIJ-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)Cn1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000736932390 944911782 /nfs/dbraw/zinc/91/17/82/944911782.db2.gz LNAJINSRSNEIHJ-SDQBBNPISA-N -1 3 395.383 0.429 20 50 GCGDHM COC(=O)CSCCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736930531 944912328 /nfs/dbraw/zinc/91/23/28/944912328.db2.gz HSNNPTJBUNYHKU-SDQBBNPISA-N -1 3 389.441 0.443 20 50 GCGDHM COC(=O)CSCCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736930531 944912335 /nfs/dbraw/zinc/91/23/35/944912335.db2.gz HSNNPTJBUNYHKU-SDQBBNPISA-N -1 3 389.441 0.443 20 50 GCGDHM COC(=O)C1CCC(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736912181 944913088 /nfs/dbraw/zinc/91/30/88/944913088.db2.gz ZRTVBZKWJSOPKV-UHFFFAOYSA-N -1 3 387.400 0.543 20 50 GCGDHM COC(=O)C1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736912181 944913093 /nfs/dbraw/zinc/91/30/93/944913093.db2.gz ZRTVBZKWJSOPKV-UHFFFAOYSA-N -1 3 387.400 0.543 20 50 GCGDHM COCCc1noc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000737013729 944932067 /nfs/dbraw/zinc/93/20/67/944932067.db2.gz JYOLYWMICRLGQS-SDQBBNPISA-N -1 3 398.383 0.736 20 50 GCGDHM COCCc1noc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000737013729 944932072 /nfs/dbraw/zinc/93/20/72/944932072.db2.gz JYOLYWMICRLGQS-SDQBBNPISA-N -1 3 398.383 0.736 20 50 GCGDHM COc1cc(C#N)ccc1OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737035613 944938414 /nfs/dbraw/zinc/93/84/14/944938414.db2.gz VMAOOLJJYLOHAA-UHFFFAOYSA-N -1 3 393.363 0.587 20 50 GCGDHM COc1cc(C#N)ccc1OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737035613 944938428 /nfs/dbraw/zinc/93/84/28/944938428.db2.gz VMAOOLJJYLOHAA-UHFFFAOYSA-N -1 3 393.363 0.587 20 50 GCGDHM COc1ccc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737083300 944955406 /nfs/dbraw/zinc/95/54/06/944955406.db2.gz PAZOGNYWORCSDJ-UHFFFAOYSA-N -1 3 397.351 0.787 20 50 GCGDHM COc1ccc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737083300 944955415 /nfs/dbraw/zinc/95/54/15/944955415.db2.gz PAZOGNYWORCSDJ-UHFFFAOYSA-N -1 3 397.351 0.787 20 50 GCGDHM COc1ccc(NC(=S)NNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737103396 944960245 /nfs/dbraw/zinc/96/02/45/944960245.db2.gz JFRQKUMNPNZPFW-UHFFFAOYSA-N -1 3 384.425 0.831 20 50 GCGDHM COc1ccc(NC(=S)NNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737103396 944960250 /nfs/dbraw/zinc/96/02/50/944960250.db2.gz JFRQKUMNPNZPFW-UHFFFAOYSA-N -1 3 384.425 0.831 20 50 GCGDHM COc1ccc(OCC(=O)NN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737110129 944962324 /nfs/dbraw/zinc/96/23/24/944962324.db2.gz SOZGBEXPOBBBQA-MRXNPFEDSA-N -1 3 397.395 0.102 20 50 GCGDHM COc1ccc(OCC(=O)NN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737110129 944962330 /nfs/dbraw/zinc/96/23/30/944962330.db2.gz SOZGBEXPOBBBQA-MRXNPFEDSA-N -1 3 397.395 0.102 20 50 GCGDHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737163469 944974125 /nfs/dbraw/zinc/97/41/25/944974125.db2.gz XRFJYNUQTHUUCV-DGCLKSJQSA-N -1 3 379.446 0.849 20 50 GCGDHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737163469 944974129 /nfs/dbraw/zinc/97/41/29/944974129.db2.gz XRFJYNUQTHUUCV-DGCLKSJQSA-N -1 3 379.446 0.849 20 50 GCGDHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737163466 944974415 /nfs/dbraw/zinc/97/44/15/944974415.db2.gz XRFJYNUQTHUUCV-AAEUAGOBSA-N -1 3 379.446 0.849 20 50 GCGDHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737163466 944974420 /nfs/dbraw/zinc/97/44/20/944974420.db2.gz XRFJYNUQTHUUCV-AAEUAGOBSA-N -1 3 379.446 0.849 20 50 GCGDHM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737163477 944975116 /nfs/dbraw/zinc/97/51/16/944975116.db2.gz XRFJYNUQTHUUCV-YPMHNXCESA-N -1 3 379.446 0.849 20 50 GCGDHM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737163477 944975125 /nfs/dbraw/zinc/97/51/25/944975125.db2.gz XRFJYNUQTHUUCV-YPMHNXCESA-N -1 3 379.446 0.849 20 50 GCGDHM CS(=O)(=O)c1ccccc1NNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737174682 944977051 /nfs/dbraw/zinc/97/70/51/944977051.db2.gz XQNBBYPTEVYYPA-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM CS(=O)(=O)c1ccccc1NNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737174682 944977059 /nfs/dbraw/zinc/97/70/59/944977059.db2.gz XQNBBYPTEVYYPA-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM CSCCCCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737183249 944979472 /nfs/dbraw/zinc/97/94/72/944979472.db2.gz WEPQZRCZMWBZLT-UHFFFAOYSA-N -1 3 379.446 0.719 20 50 GCGDHM CSCCCCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737183249 944979478 /nfs/dbraw/zinc/97/94/78/944979478.db2.gz WEPQZRCZMWBZLT-UHFFFAOYSA-N -1 3 379.446 0.719 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)Cc2ccccn2)cc(-c2nn[n-]n2)n1C ZINC000737211043 944982406 /nfs/dbraw/zinc/98/24/06/944982406.db2.gz AHRQSHHDKSWOFT-NTUHNPAUSA-N -1 3 391.395 0.206 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2CCOC(C)(C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212022 944988973 /nfs/dbraw/zinc/98/89/73/944988973.db2.gz GSVYPKLDUVXECB-OQLLNIDSSA-N -1 3 398.471 0.648 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](CCC(N)=O)C2)cc(-c2nnn[n-]2)n1C ZINC000737211754 944989743 /nfs/dbraw/zinc/98/97/43/944989743.db2.gz FNECSPIAKVYWDS-MGMWDDNKSA-N -1 3 396.455 0.925 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](CCC(N)=O)C2)cc(-c2nn[n-]n2)n1C ZINC000737211754 944989755 /nfs/dbraw/zinc/98/97/55/944989755.db2.gz FNECSPIAKVYWDS-MGMWDDNKSA-N -1 3 396.455 0.925 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](n3cncn3)C2)cc(-c2nn[n-]n2)n1C ZINC000737212035 944989789 /nfs/dbraw/zinc/98/97/89/944989789.db2.gz GYCMXQOESNNOMZ-HVJNQHDOSA-N -1 3 392.427 0.876 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2CCOC[C@@H]2C)cc(-c2nn[n-]n2)n1C ZINC000737212168 944990308 /nfs/dbraw/zinc/99/03/08/944990308.db2.gz ICOOINRVZOZTKU-IYVNWDGISA-N -1 3 384.444 0.258 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1C ZINC000737212103 944990603 /nfs/dbraw/zinc/99/06/03/944990603.db2.gz HRPWYYZGGMWUBJ-OWTLUSIOSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1C ZINC000737212103 944990608 /nfs/dbraw/zinc/99/06/08/944990608.db2.gz HRPWYYZGGMWUBJ-OWTLUSIOSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1C ZINC000737212099 944991290 /nfs/dbraw/zinc/99/12/90/944991290.db2.gz HRPWYYZGGMWUBJ-NHXNDTTKSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1C ZINC000737212099 944991293 /nfs/dbraw/zinc/99/12/93/944991293.db2.gz HRPWYYZGGMWUBJ-NHXNDTTKSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc(-c2nnn[n-]2)n1C ZINC000737212549 944994379 /nfs/dbraw/zinc/99/43/79/944994379.db2.gz KVMVLUFPBXFFLW-MBGMWABPSA-N -1 3 389.441 0.066 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212549 944994384 /nfs/dbraw/zinc/99/43/84/944994384.db2.gz KVMVLUFPBXFFLW-MBGMWABPSA-N -1 3 389.441 0.066 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)NCC2CCC2)cc(-c2nnn[n-]2)n1C ZINC000737213241 945000415 /nfs/dbraw/zinc/00/04/15/945000415.db2.gz RBDWXKSZMIYMNF-NSIKDUERSA-N -1 3 383.412 0.880 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)NCC2CCC2)cc(-c2nn[n-]n2)n1C ZINC000737213241 945000428 /nfs/dbraw/zinc/00/04/28/945000428.db2.gz RBDWXKSZMIYMNF-NSIKDUERSA-N -1 3 383.412 0.880 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2N=NC(=S)N2C)cc(-c2nnn[n-]2)n1C ZINC000737213290 945001277 /nfs/dbraw/zinc/00/12/77/945001277.db2.gz RLHDETFLWPRXSO-WMZJFQQLSA-N -1 3 384.429 0.154 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2N=NC(=S)N2C)cc(-c2nn[n-]n2)n1C ZINC000737213290 945001288 /nfs/dbraw/zinc/00/12/88/945001288.db2.gz RLHDETFLWPRXSO-WMZJFQQLSA-N -1 3 384.429 0.154 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCc2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000737213497 945002891 /nfs/dbraw/zinc/00/28/91/945002891.db2.gz UPGVCIDHNNXIQV-CHHVJCJISA-N -1 3 379.428 0.903 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCc3n[nH]cc3C2)cc(-c2nn[n-]n2)n1C ZINC000737213598 945004738 /nfs/dbraw/zinc/00/47/38/945004738.db2.gz VCHTXVRDOFXZGY-WTKLMOFPSA-N -1 3 377.412 0.817 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)Nc2cccnc2)cc(-c2nn[n-]n2)n1C ZINC000737213768 945009378 /nfs/dbraw/zinc/00/93/78/945009378.db2.gz XBADLIYUQOWISQ-MLPAPPSSSA-N -1 3 391.395 0.571 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCCS(=O)(=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000737213858 945009437 /nfs/dbraw/zinc/00/94/37/945009437.db2.gz XUUXPMFCOHVMSR-JYRVWZFOSA-N -1 3 389.441 0.068 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCCS(=O)(=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000737213858 945009449 /nfs/dbraw/zinc/00/94/49/945009449.db2.gz XUUXPMFCOHVMSR-JYRVWZFOSA-N -1 3 389.441 0.068 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1-n1cncn1 ZINC000737236981 945017076 /nfs/dbraw/zinc/01/70/76/945017076.db2.gz XIAWMVFULIDEMJ-UHFFFAOYSA-N -1 3 389.379 0.831 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1-n1cncn1 ZINC000737236981 945017085 /nfs/dbraw/zinc/01/70/85/945017085.db2.gz XIAWMVFULIDEMJ-UHFFFAOYSA-N -1 3 389.379 0.831 20 50 GCGDHM Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737253005 945020548 /nfs/dbraw/zinc/02/05/48/945020548.db2.gz NGYAIDPLYKJTCZ-UHFFFAOYSA-N -1 3 393.407 0.675 20 50 GCGDHM Cc1cc(C)cc(C(=O)NCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737253005 945020557 /nfs/dbraw/zinc/02/05/57/945020557.db2.gz NGYAIDPLYKJTCZ-UHFFFAOYSA-N -1 3 393.407 0.675 20 50 GCGDHM Cc1cc(C)n(CCCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737257233 945021392 /nfs/dbraw/zinc/02/13/92/945021392.db2.gz RNOMWRVJKKXCSB-UHFFFAOYSA-N -1 3 383.416 0.714 20 50 GCGDHM Cc1cc(C)n(CCCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737257233 945021403 /nfs/dbraw/zinc/02/14/03/945021403.db2.gz RNOMWRVJKKXCSB-UHFFFAOYSA-N -1 3 383.416 0.714 20 50 GCGDHM Cc1ccc(C(=O)NCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000737311685 945033616 /nfs/dbraw/zinc/03/36/16/945033616.db2.gz BCTZUVYOXODFIW-UHFFFAOYSA-N -1 3 393.407 0.675 20 50 GCGDHM Cc1ccc(C(=O)NCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000737311685 945033624 /nfs/dbraw/zinc/03/36/24/945033624.db2.gz BCTZUVYOXODFIW-UHFFFAOYSA-N -1 3 393.407 0.675 20 50 GCGDHM Cc1ccc2c([O-])c(C(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)cnc2n1 ZINC000737371361 945052412 /nfs/dbraw/zinc/05/24/12/945052412.db2.gz CTULKOPOPRZGAN-UHFFFAOYSA-N -1 3 390.363 0.899 20 50 GCGDHM Cc1ccccc1C(=O)NNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737414961 945062302 /nfs/dbraw/zinc/06/23/02/945062302.db2.gz JBFCWPNYIJBUGH-UHFFFAOYSA-N -1 3 379.380 0.366 20 50 GCGDHM Cc1ccccc1C(=O)NNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737414961 945062313 /nfs/dbraw/zinc/06/23/13/945062313.db2.gz JBFCWPNYIJBUGH-UHFFFAOYSA-N -1 3 379.380 0.366 20 50 GCGDHM C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820233200 945393308 /nfs/dbraw/zinc/39/33/08/945393308.db2.gz JKMGKZOSXCFVHD-RYUDHWBXSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820233200 945393320 /nfs/dbraw/zinc/39/33/20/945393320.db2.gz JKMGKZOSXCFVHD-RYUDHWBXSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)CC1(C)OCCO1 ZINC000820270246 945404734 /nfs/dbraw/zinc/40/47/34/945404734.db2.gz YMUDGLJQZOLUBS-LLVKDONJSA-N -1 3 389.416 0.600 20 50 GCGDHM C[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)CC1(C)OCCO1 ZINC000820270246 945404737 /nfs/dbraw/zinc/40/47/37/945404737.db2.gz YMUDGLJQZOLUBS-LLVKDONJSA-N -1 3 389.416 0.600 20 50 GCGDHM C[C@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820286627 945407151 /nfs/dbraw/zinc/40/71/51/945407151.db2.gz DDSZNLKTWRAPCK-ZWNOBZJWSA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820286627 945407157 /nfs/dbraw/zinc/40/71/57/945407157.db2.gz DDSZNLKTWRAPCK-ZWNOBZJWSA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC000820372549 945431237 /nfs/dbraw/zinc/43/12/37/945431237.db2.gz AQKUQTJCDZBHGA-SNVBAGLBSA-N -1 3 385.388 0.071 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC000820372549 945431242 /nfs/dbraw/zinc/43/12/42/945431242.db2.gz AQKUQTJCDZBHGA-SNVBAGLBSA-N -1 3 385.388 0.071 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCOC1 ZINC000820372832 945434845 /nfs/dbraw/zinc/43/48/45/945434845.db2.gz BZHGMCXLFCKINL-CMPLNLGQSA-N -1 3 375.389 0.001 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000820374666 945438937 /nfs/dbraw/zinc/43/89/37/945438937.db2.gz PSCMXNUWWIQXLW-NSHDSACASA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000820374666 945438946 /nfs/dbraw/zinc/43/89/46/945438946.db2.gz PSCMXNUWWIQXLW-NSHDSACASA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820473321 945459142 /nfs/dbraw/zinc/45/91/42/945459142.db2.gz ABSXUPUJHBBNFG-NSHDSACASA-N -1 3 391.432 0.373 20 50 GCGDHM C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820473321 945459150 /nfs/dbraw/zinc/45/91/50/945459150.db2.gz ABSXUPUJHBBNFG-NSHDSACASA-N -1 3 391.432 0.373 20 50 GCGDHM C[C@]1(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCS1 ZINC000820618418 945499169 /nfs/dbraw/zinc/49/91/69/945499169.db2.gz DBYOOXZGNVWWFH-MRXNPFEDSA-N -1 3 391.457 0.862 20 50 GCGDHM CC1(O)CCC(NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000820623384 945501240 /nfs/dbraw/zinc/50/12/40/945501240.db2.gz NZKWMXOMNMJKCG-UHFFFAOYSA-N -1 3 389.416 0.270 20 50 GCGDHM CC1(O)CCC(NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000820623384 945501245 /nfs/dbraw/zinc/50/12/45/945501245.db2.gz NZKWMXOMNMJKCG-UHFFFAOYSA-N -1 3 389.416 0.270 20 50 GCGDHM C[C@@H]1C[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820659140 945515299 /nfs/dbraw/zinc/51/52/99/945515299.db2.gz WRBAQYCXTPUWBV-YGRLFVJLSA-N -1 3 396.415 0.420 20 50 GCGDHM C[C@@H]1C[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820659140 945515309 /nfs/dbraw/zinc/51/53/09/945515309.db2.gz WRBAQYCXTPUWBV-YGRLFVJLSA-N -1 3 396.415 0.420 20 50 GCGDHM C[C@H]1CC[C@H](CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820683387 945523971 /nfs/dbraw/zinc/52/39/71/945523971.db2.gz AJJOJQRYVCOANL-RYUDHWBXSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CC[C@H](CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820683387 945523978 /nfs/dbraw/zinc/52/39/78/945523978.db2.gz AJJOJQRYVCOANL-RYUDHWBXSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820690532 945526562 /nfs/dbraw/zinc/52/65/62/945526562.db2.gz NLKYXAFQSYAVLR-SMDDNHRTSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820690532 945526568 /nfs/dbraw/zinc/52/65/68/945526568.db2.gz NLKYXAFQSYAVLR-SMDDNHRTSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820690530 945526986 /nfs/dbraw/zinc/52/69/86/945526986.db2.gz NLKYXAFQSYAVLR-FZMZJTMJSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820690530 945526992 /nfs/dbraw/zinc/52/69/92/945526992.db2.gz NLKYXAFQSYAVLR-FZMZJTMJSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C(F)(F)F)O1 ZINC000820742974 945543086 /nfs/dbraw/zinc/54/30/86/945543086.db2.gz ORTDEAIDYSPUSS-GZMMTYOYSA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C(F)(F)F)O1 ZINC000820742974 945543093 /nfs/dbraw/zinc/54/30/93/945543093.db2.gz ORTDEAIDYSPUSS-GZMMTYOYSA-N -1 3 399.333 0.873 20 50 GCGDHM CC[C@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820973600 945602086 /nfs/dbraw/zinc/60/20/86/945602086.db2.gz YFGIZNRGVAKFEG-STQMWFEESA-N -1 3 388.384 0.129 20 50 GCGDHM CC[C@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820973600 945602090 /nfs/dbraw/zinc/60/20/90/945602090.db2.gz YFGIZNRGVAKFEG-STQMWFEESA-N -1 3 388.384 0.129 20 50 GCGDHM CC[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCS1 ZINC000820995360 945609487 /nfs/dbraw/zinc/60/94/87/945609487.db2.gz QHMCGWRWKPRTOD-ZDUSSCGKSA-N -1 3 375.458 0.455 20 50 GCGDHM CC[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCS1 ZINC000820995360 945609490 /nfs/dbraw/zinc/60/94/90/945609490.db2.gz QHMCGWRWKPRTOD-ZDUSSCGKSA-N -1 3 375.458 0.455 20 50 GCGDHM CCOC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821369385 945683658 /nfs/dbraw/zinc/68/36/58/945683658.db2.gz ZYZPHSJRDHFTNZ-CYBMUJFWSA-N -1 3 387.444 0.376 20 50 GCGDHM CCOc1ccccc1OCC(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821437698 945694840 /nfs/dbraw/zinc/69/48/40/945694840.db2.gz RBJXXYHAROHNIB-UHFFFAOYSA-N -1 3 385.384 0.444 20 50 GCGDHM CCOc1ccccc1OCC(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821437698 945694844 /nfs/dbraw/zinc/69/48/44/945694844.db2.gz RBJXXYHAROHNIB-UHFFFAOYSA-N -1 3 385.384 0.444 20 50 GCGDHM CCc1onc(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821563970 945717496 /nfs/dbraw/zinc/71/74/96/945717496.db2.gz NVSQVUVUQGETCH-UHFFFAOYSA-N -1 3 399.367 0.344 20 50 GCGDHM CCc1onc(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821563970 945717500 /nfs/dbraw/zinc/71/75/00/945717500.db2.gz NVSQVUVUQGETCH-UHFFFAOYSA-N -1 3 399.367 0.344 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821593882 945731928 /nfs/dbraw/zinc/73/19/28/945731928.db2.gz OEVQJVYCSPGRLP-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM COC(=O)[C@H](C)CSCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821638806 945765835 /nfs/dbraw/zinc/76/58/35/945765835.db2.gz ILEATMPZKRKXGD-SECBINFHSA-N -1 3 378.414 0.170 20 50 GCGDHM COC(=O)[C@H](C)CSCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821638806 945765839 /nfs/dbraw/zinc/76/58/39/945765839.db2.gz ILEATMPZKRKXGD-SECBINFHSA-N -1 3 378.414 0.170 20 50 GCGDHM COC(=O)[C@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644533 945767659 /nfs/dbraw/zinc/76/76/59/945767659.db2.gz BWWVJCRQRFAVPH-HZPDHXFCSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644533 945767664 /nfs/dbraw/zinc/76/76/64/945767664.db2.gz BWWVJCRQRFAVPH-HZPDHXFCSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@H](NNC(=O)COc1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000821644864 945769882 /nfs/dbraw/zinc/76/98/82/945769882.db2.gz LIPFUZQRAPJKME-OAHLLOKOSA-N -1 3 383.368 0.176 20 50 GCGDHM COC(=O)[C@H](NNC(=O)COc1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000821644864 945769893 /nfs/dbraw/zinc/76/98/93/945769893.db2.gz LIPFUZQRAPJKME-OAHLLOKOSA-N -1 3 383.368 0.176 20 50 GCGDHM COC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821657053 945781709 /nfs/dbraw/zinc/78/17/09/945781709.db2.gz GIKGHYWAYMSQFU-SECBINFHSA-N -1 3 378.414 0.313 20 50 GCGDHM COC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821657053 945781722 /nfs/dbraw/zinc/78/17/22/945781722.db2.gz GIKGHYWAYMSQFU-SECBINFHSA-N -1 3 378.414 0.313 20 50 GCGDHM COC(=O)C[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCO1 ZINC000821659311 945784064 /nfs/dbraw/zinc/78/40/64/945784064.db2.gz YSNLCJFSPHAJIY-YGLIYXGISA-N -1 3 399.411 0.211 20 50 GCGDHM COC(=O)C[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCO1 ZINC000821659311 945784074 /nfs/dbraw/zinc/78/40/74/945784074.db2.gz YSNLCJFSPHAJIY-YGLIYXGISA-N -1 3 399.411 0.211 20 50 GCGDHM COC(C)(C)C[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821672572 945791308 /nfs/dbraw/zinc/79/13/08/945791308.db2.gz PBQNKPBBPLBREC-NSHDSACASA-N -1 3 391.432 0.780 20 50 GCGDHM COC(C)(C)C[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821672572 945791315 /nfs/dbraw/zinc/79/13/15/945791315.db2.gz PBQNKPBBPLBREC-NSHDSACASA-N -1 3 391.432 0.780 20 50 GCGDHM COCCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821687702 945813090 /nfs/dbraw/zinc/81/30/90/945813090.db2.gz KPFDTKAHRJWCFQ-VGOFMYFVSA-N -1 3 385.428 0.685 20 50 GCGDHM COCCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821687702 945813102 /nfs/dbraw/zinc/81/31/02/945813102.db2.gz KPFDTKAHRJWCFQ-VGOFMYFVSA-N -1 3 385.428 0.685 20 50 GCGDHM COCCOc1cccc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821693885 945827423 /nfs/dbraw/zinc/82/74/23/945827423.db2.gz RUKBMPUPQXGZIC-UHFFFAOYSA-N -1 3 396.407 0.896 20 50 GCGDHM COCCOc1cccc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821693885 945827438 /nfs/dbraw/zinc/82/74/38/945827438.db2.gz RUKBMPUPQXGZIC-UHFFFAOYSA-N -1 3 396.407 0.896 20 50 GCGDHM COc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821859153 945886834 /nfs/dbraw/zinc/88/68/34/945886834.db2.gz LSRQTJJNSWKXQN-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821859153 945886839 /nfs/dbraw/zinc/88/68/39/945886839.db2.gz LSRQTJJNSWKXQN-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COc1cccc(OC)c1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821873782 945891894 /nfs/dbraw/zinc/89/18/94/945891894.db2.gz YDRVEOMELXPAGQ-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM COc1cccc(OC)c1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821873782 945891908 /nfs/dbraw/zinc/89/19/08/945891908.db2.gz YDRVEOMELXPAGQ-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM COc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821883219 945893094 /nfs/dbraw/zinc/89/30/94/945893094.db2.gz SOBQVFBINAPWLQ-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821883219 945893101 /nfs/dbraw/zinc/89/31/01/945893101.db2.gz SOBQVFBINAPWLQ-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COc1ccccc1CN(C)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821897947 945901096 /nfs/dbraw/zinc/90/10/96/945901096.db2.gz LKRVOKKURCTTKI-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM COc1ccccc1CN(C)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821897947 945901110 /nfs/dbraw/zinc/90/11/10/945901110.db2.gz LKRVOKKURCTTKI-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM COc1ccccc1NCC(=O)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821904775 945903027 /nfs/dbraw/zinc/90/30/27/945903027.db2.gz ZXFFEKIZUONQGO-UHFFFAOYSA-N -1 3 381.396 0.677 20 50 GCGDHM COc1ccccc1NCC(=O)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821904775 945903032 /nfs/dbraw/zinc/90/30/32/945903032.db2.gz ZXFFEKIZUONQGO-UHFFFAOYSA-N -1 3 381.396 0.677 20 50 GCGDHM C[S@](=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821942186 945906570 /nfs/dbraw/zinc/90/65/70/945906570.db2.gz MMKIOQZRVLSKBN-NDEPHWFRSA-N -1 3 399.436 0.748 20 50 GCGDHM C[S@](=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821942186 945906579 /nfs/dbraw/zinc/90/65/79/945906579.db2.gz MMKIOQZRVLSKBN-NDEPHWFRSA-N -1 3 399.436 0.748 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H](C)CS(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822026920 945926445 /nfs/dbraw/zinc/92/64/45/945926445.db2.gz BJVAQSXQUHCLLC-JHXMEDKLSA-N -1 3 392.441 0.645 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H](C)CS(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822026920 945926455 /nfs/dbraw/zinc/92/64/55/945926455.db2.gz BJVAQSXQUHCLLC-JHXMEDKLSA-N -1 3 392.441 0.645 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H](C)CS(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822026919 945926665 /nfs/dbraw/zinc/92/66/65/945926665.db2.gz BJVAQSXQUHCLLC-ASOMJZDJSA-N -1 3 392.441 0.645 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H](C)CS(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822026919 945926670 /nfs/dbraw/zinc/92/66/70/945926670.db2.gz BJVAQSXQUHCLLC-ASOMJZDJSA-N -1 3 392.441 0.645 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2CCN(CC#N)CC2)cc(-c2nnn[n-]2)n1C ZINC000822027922 945938809 /nfs/dbraw/zinc/93/88/09/945938809.db2.gz KNLGWXLLPFBULS-CXUHLZMHSA-N -1 3 393.455 0.772 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2CCN(CC#N)CC2)cc(-c2nn[n-]n2)n1C ZINC000822027922 945938810 /nfs/dbraw/zinc/93/88/10/945938810.db2.gz KNLGWXLLPFBULS-CXUHLZMHSA-N -1 3 393.455 0.772 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C2CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000822028342 945940877 /nfs/dbraw/zinc/94/08/77/945940877.db2.gz NCCGJPHMGCQTJL-KAMPRCONSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000822028342 945940886 /nfs/dbraw/zinc/94/08/86/945940886.db2.gz NCCGJPHMGCQTJL-KAMPRCONSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc(-c2nnn[n-]2)n1C ZINC000822028795 945947577 /nfs/dbraw/zinc/94/75/77/945947577.db2.gz SHIYIOXXYXOVBR-GHAIFCDISA-N -1 3 395.345 0.946 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc(-c2nn[n-]n2)n1C ZINC000822028795 945947582 /nfs/dbraw/zinc/94/75/82/945947582.db2.gz SHIYIOXXYXOVBR-GHAIFCDISA-N -1 3 395.345 0.946 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc(-c2nnn[n-]2)n1C ZINC000822028984 945949581 /nfs/dbraw/zinc/94/95/81/945949581.db2.gz UEUROFPRHHKBQU-FQOXANJRSA-N -1 3 397.439 0.827 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1C ZINC000822028984 945949588 /nfs/dbraw/zinc/94/95/88/945949588.db2.gz UEUROFPRHHKBQU-FQOXANJRSA-N -1 3 397.439 0.827 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2CCCS2(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822029023 945949751 /nfs/dbraw/zinc/94/97/51/945949751.db2.gz UKGAHTMWUPCBRI-XEVNVYFWSA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2CCCS2(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822029023 945949759 /nfs/dbraw/zinc/94/97/59/945949759.db2.gz UKGAHTMWUPCBRI-XEVNVYFWSA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@]2(CCO)CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822029385 945955546 /nfs/dbraw/zinc/95/55/46/945955546.db2.gz XRXAWTPNTAYXFU-GAVDFCLNSA-N -1 3 385.428 0.326 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@]2(CCO)CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822029385 945955555 /nfs/dbraw/zinc/95/55/55/945955555.db2.gz XRXAWTPNTAYXFU-GAVDFCLNSA-N -1 3 385.428 0.326 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000822029448 945956807 /nfs/dbraw/zinc/95/68/07/945956807.db2.gz YWZKKAWCYKPQCD-HETKQVNLSA-N -1 3 381.400 0.004 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000822029451 945957105 /nfs/dbraw/zinc/95/71/05/945957105.db2.gz YWZKKAWCYKPQCD-XANQCZFBSA-N -1 3 381.400 0.004 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCc2nnnn2C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029439 945958469 /nfs/dbraw/zinc/95/84/69/945958469.db2.gz YSQBXVRUZFZWJG-XGICHPGQSA-N -1 3 382.388 0.731 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCc2nnnn2C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029439 945958482 /nfs/dbraw/zinc/95/84/82/945958482.db2.gz YSQBXVRUZFZWJG-XGICHPGQSA-N -1 3 382.388 0.731 20 50 GCGDHM Cc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822193926 945977476 /nfs/dbraw/zinc/97/74/76/945977476.db2.gz ALDIYOYYPIIXPQ-UHFFFAOYSA-N -1 3 384.352 0.695 20 50 GCGDHM Cc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822193926 945977487 /nfs/dbraw/zinc/97/74/87/945977487.db2.gz ALDIYOYYPIIXPQ-UHFFFAOYSA-N -1 3 384.352 0.695 20 50 GCGDHM Cc1cc(C)n(CC(=O)NNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000822197639 945982519 /nfs/dbraw/zinc/98/25/19/945982519.db2.gz JBBPQUCGMPDCNU-UHFFFAOYSA-N -1 3 387.379 0.350 20 50 GCGDHM Cc1cc(C)n(CC(=O)NNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000822197639 945982523 /nfs/dbraw/zinc/98/25/23/945982523.db2.gz JBBPQUCGMPDCNU-UHFFFAOYSA-N -1 3 387.379 0.350 20 50 GCGDHM Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000822226554 946008104 /nfs/dbraw/zinc/00/81/04/946008104.db2.gz YCCZIUIJRWAALS-UHFFFAOYSA-N -1 3 383.368 0.132 20 50 GCGDHM Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000822226554 946008112 /nfs/dbraw/zinc/00/81/12/946008112.db2.gz YCCZIUIJRWAALS-UHFFFAOYSA-N -1 3 383.368 0.132 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822227881 946008636 /nfs/dbraw/zinc/00/86/36/946008636.db2.gz ZIYXGPHUJRTRNH-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822227881 946008644 /nfs/dbraw/zinc/00/86/44/946008644.db2.gz ZIYXGPHUJRTRNH-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc([C@@H](C)C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822227462 946009197 /nfs/dbraw/zinc/00/91/97/946009197.db2.gz JSUWVWVJWMGACE-LLVKDONJSA-N -1 3 398.379 0.876 20 50 GCGDHM Cc1ccc([C@@H](C)C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822227462 946009208 /nfs/dbraw/zinc/00/92/08/946009208.db2.gz JSUWVWVJWMGACE-LLVKDONJSA-N -1 3 398.379 0.876 20 50 GCGDHM Cc1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822239826 946026234 /nfs/dbraw/zinc/02/62/34/946026234.db2.gz GFPBTVBFLRBERO-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(F)c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822239826 946026243 /nfs/dbraw/zinc/02/62/43/946026243.db2.gz GFPBTVBFLRBERO-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000822242417 946029178 /nfs/dbraw/zinc/02/91/78/946029178.db2.gz KNQUHTIFTWHWJH-UHFFFAOYSA-N -1 3 393.407 0.812 20 50 GCGDHM Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000822242417 946029190 /nfs/dbraw/zinc/02/91/90/946029190.db2.gz KNQUHTIFTWHWJH-UHFFFAOYSA-N -1 3 393.407 0.812 20 50 GCGDHM Cc1cccc(N)c1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822308995 946050561 /nfs/dbraw/zinc/05/05/61/946050561.db2.gz LTXXKWDJUQRJNG-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1cccc(N)c1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822308995 946050575 /nfs/dbraw/zinc/05/05/75/946050575.db2.gz LTXXKWDJUQRJNG-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822356814 946070014 /nfs/dbraw/zinc/07/00/14/946070014.db2.gz ZOTRVYHJSLXFMI-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822356814 946070026 /nfs/dbraw/zinc/07/00/26/946070026.db2.gz ZOTRVYHJSLXFMI-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1cccnc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822370263 946073705 /nfs/dbraw/zinc/07/37/05/946073705.db2.gz UYSWFUJWLOLFGQ-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1cccnc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822370263 946073714 /nfs/dbraw/zinc/07/37/14/946073714.db2.gz UYSWFUJWLOLFGQ-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1ncc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822466846 946096492 /nfs/dbraw/zinc/09/64/92/946096492.db2.gz CWJRHSKCDSUPFV-UHFFFAOYSA-N -1 3 386.441 0.525 20 50 GCGDHM Cc1ncc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822466846 946096504 /nfs/dbraw/zinc/09/65/04/946096504.db2.gz CWJRHSKCDSUPFV-UHFFFAOYSA-N -1 3 386.441 0.525 20 50 GCGDHM Cc1noc(C)c1CN(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822522045 946110807 /nfs/dbraw/zinc/11/08/07/946110807.db2.gz BUONDFBSHGOTAS-UHFFFAOYSA-N -1 3 384.400 0.365 20 50 GCGDHM Cc1noc(C)c1CN(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822522045 946110812 /nfs/dbraw/zinc/11/08/12/946110812.db2.gz BUONDFBSHGOTAS-UHFFFAOYSA-N -1 3 384.400 0.365 20 50 GCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1cc(Br)c[nH]1 ZINC000822645944 946147910 /nfs/dbraw/zinc/14/79/10/946147910.db2.gz XWNFQSHWZJWIFN-UHFFFAOYSA-N -1 3 379.178 0.371 20 50 GCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1cc(Br)c[nH]1 ZINC000822645944 946147917 /nfs/dbraw/zinc/14/79/17/946147917.db2.gz XWNFQSHWZJWIFN-UHFFFAOYSA-N -1 3 379.178 0.371 20 50 GCGDHM N#Cc1ccnc(SCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822842388 946200723 /nfs/dbraw/zinc/20/07/23/946200723.db2.gz GIWFZYSZJKCOSD-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1ccnc(SCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822842388 946200740 /nfs/dbraw/zinc/20/07/40/946200740.db2.gz GIWFZYSZJKCOSD-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837923 946202211 /nfs/dbraw/zinc/20/22/11/946202211.db2.gz YWIAUVAHDOXUEX-UHFFFAOYSA-N -1 3 392.379 0.761 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000822837598 946202562 /nfs/dbraw/zinc/20/25/62/946202562.db2.gz OURLZBFUCRRRQX-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000822837598 946202572 /nfs/dbraw/zinc/20/25/72/946202572.db2.gz OURLZBFUCRRRQX-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM Nc1cc(F)ccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822907575 946215771 /nfs/dbraw/zinc/21/57/71/946215771.db2.gz UAIQGSVHURZDSN-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM Nc1cc(F)ccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822907575 946215781 /nfs/dbraw/zinc/21/57/81/946215781.db2.gz UAIQGSVHURZDSN-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM O=C(CCCNC(=O)c1cccnc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822959090 946236673 /nfs/dbraw/zinc/23/66/73/946236673.db2.gz RBOPMVOPLBSJED-UHFFFAOYSA-N -1 3 394.395 0.233 20 50 GCGDHM O=C(CCCNC(=O)c1cccnc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822959090 946236680 /nfs/dbraw/zinc/23/66/80/946236680.db2.gz RBOPMVOPLBSJED-UHFFFAOYSA-N -1 3 394.395 0.233 20 50 GCGDHM O=C(CN1CCC(OCC2CC2)CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822991403 946247545 /nfs/dbraw/zinc/24/75/45/946247545.db2.gz BNQMJQKBLWWYHG-UHFFFAOYSA-N -1 3 399.455 0.519 20 50 GCGDHM O=C(CN1CCC(OCC2CC2)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822991403 946247556 /nfs/dbraw/zinc/24/75/56/946247556.db2.gz BNQMJQKBLWWYHG-UHFFFAOYSA-N -1 3 399.455 0.519 20 50 GCGDHM O=C(CNC(=O)c1ccco1)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823005309 946263076 /nfs/dbraw/zinc/26/30/76/946263076.db2.gz LKJLHTZWCXIVSG-UHFFFAOYSA-N -1 3 378.352 0.821 20 50 GCGDHM O=C(CNC(=O)c1ccco1)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823005309 946263086 /nfs/dbraw/zinc/26/30/86/946263086.db2.gz LKJLHTZWCXIVSG-UHFFFAOYSA-N -1 3 378.352 0.821 20 50 GCGDHM O=C(COC(=O)C1CCSCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823017562 946268243 /nfs/dbraw/zinc/26/82/43/946268243.db2.gz BJJTVBISUIGJTJ-UHFFFAOYSA-N -1 3 390.425 0.314 20 50 GCGDHM O=C(COC(=O)C1CCSCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823017562 946268254 /nfs/dbraw/zinc/26/82/54/946268254.db2.gz BJJTVBISUIGJTJ-UHFFFAOYSA-N -1 3 390.425 0.314 20 50 GCGDHM O=C(C=Cc1ccco1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018582 946273113 /nfs/dbraw/zinc/27/31/13/946273113.db2.gz SGFNNLJSKOJZRD-SREVYHEPSA-N -1 3 382.336 0.477 20 50 GCGDHM O=C(C=Cc1ccco1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018582 946273125 /nfs/dbraw/zinc/27/31/25/946273125.db2.gz SGFNNLJSKOJZRD-SREVYHEPSA-N -1 3 382.336 0.477 20 50 GCGDHM O=C(COC(=O)CCc1ccco1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018401 946274104 /nfs/dbraw/zinc/27/41/04/946274104.db2.gz MHVUHCMLZZCJDH-UHFFFAOYSA-N -1 3 384.352 0.397 20 50 GCGDHM O=C(COC(=O)CCc1ccco1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018401 946274114 /nfs/dbraw/zinc/27/41/14/946274114.db2.gz MHVUHCMLZZCJDH-UHFFFAOYSA-N -1 3 384.352 0.397 20 50 GCGDHM O=C(COC(=O)[C@H]1CC1(Cl)Cl)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018525 946274205 /nfs/dbraw/zinc/27/42/05/946274205.db2.gz QIGQQRRVUANMDG-SECBINFHSA-N -1 3 399.194 0.365 20 50 GCGDHM O=C(COC(=O)[C@H]1CC1(Cl)Cl)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018525 946274212 /nfs/dbraw/zinc/27/42/12/946274212.db2.gz QIGQQRRVUANMDG-SECBINFHSA-N -1 3 399.194 0.365 20 50 GCGDHM O=C(C=Cc1ccccc1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018815 946274848 /nfs/dbraw/zinc/27/48/48/946274848.db2.gz YDXAOAZGRCCDSP-KTKRTIGZSA-N -1 3 392.375 0.884 20 50 GCGDHM O=C(C=Cc1ccccc1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018815 946274860 /nfs/dbraw/zinc/27/48/60/946274860.db2.gz YDXAOAZGRCCDSP-KTKRTIGZSA-N -1 3 392.375 0.884 20 50 GCGDHM O=C(COC(=O)Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)c1ccccc1 ZINC000823022391 946277345 /nfs/dbraw/zinc/27/73/45/946277345.db2.gz FPFVPCXUPWYKGP-UHFFFAOYSA-N -1 3 380.364 0.414 20 50 GCGDHM O=C(COC(=O)Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)c1ccccc1 ZINC000823022391 946277355 /nfs/dbraw/zinc/27/73/55/946277355.db2.gz FPFVPCXUPWYKGP-UHFFFAOYSA-N -1 3 380.364 0.414 20 50 GCGDHM O=C(COC(=O)c1cc(C2CC2)[nH]n1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823027394 946281026 /nfs/dbraw/zinc/28/10/26/946281026.db2.gz SXHMVYLPAUIRCJ-UHFFFAOYSA-N -1 3 396.367 0.085 20 50 GCGDHM O=C(COC(=O)c1cc(C2CC2)[nH]n1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823027394 946281037 /nfs/dbraw/zinc/28/10/37/946281037.db2.gz SXHMVYLPAUIRCJ-UHFFFAOYSA-N -1 3 396.367 0.085 20 50 GCGDHM O=C(COC(=O)c1cccc(O)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027165 946281296 /nfs/dbraw/zinc/28/12/96/946281296.db2.gz OTNMHZFLWBWRPP-UHFFFAOYSA-N -1 3 382.336 0.190 20 50 GCGDHM O=C(COC(=O)c1cccc(O)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027165 946281307 /nfs/dbraw/zinc/28/13/07/946281307.db2.gz OTNMHZFLWBWRPP-UHFFFAOYSA-N -1 3 382.336 0.190 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCc1ccc(F)cn1 ZINC000823036718 946284690 /nfs/dbraw/zinc/28/46/90/946284690.db2.gz JETXIHHZKNBRBP-UHFFFAOYSA-N -1 3 386.347 0.310 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000823036598 946284764 /nfs/dbraw/zinc/28/47/64/946284764.db2.gz IMPSPVKDICKMKI-CYBMUJFWSA-N -1 3 397.399 0.377 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000823036775 946285543 /nfs/dbraw/zinc/28/55/43/946285543.db2.gz LKIMTZHJVWGYRP-GFCCVEGCSA-N -1 3 382.384 0.236 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@H]1CCCc2[nH]ccc21 ZINC000823050441 946296552 /nfs/dbraw/zinc/29/65/52/946296552.db2.gz ZNWBXKXQFUSVFT-AWEZNQCLSA-N -1 3 396.411 0.982 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@H]1CCCc2[nH]ccc21 ZINC000823050441 946296561 /nfs/dbraw/zinc/29/65/61/946296561.db2.gz ZNWBXKXQFUSVFT-AWEZNQCLSA-N -1 3 396.411 0.982 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C1C(=O)Nc2c1cccc2F ZINC000823050339 946296778 /nfs/dbraw/zinc/29/67/78/946296778.db2.gz VSLCJYSTACXGHK-UHFFFAOYSA-N -1 3 381.327 0.857 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C1C(=O)Nc2c1cccc2F ZINC000823050339 946296788 /nfs/dbraw/zinc/29/67/88/946296788.db2.gz VSLCJYSTACXGHK-UHFFFAOYSA-N -1 3 381.327 0.857 20 50 GCGDHM O=C(Cc1ccc(F)cc1)NNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823083101 946308066 /nfs/dbraw/zinc/30/80/66/946308066.db2.gz WDDRZLXEGNTWOA-UHFFFAOYSA-N -1 3 399.386 0.958 20 50 GCGDHM O=C(Cc1ccccn1)NNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823114799 946317259 /nfs/dbraw/zinc/31/72/59/946317259.db2.gz FNMRIYJTJHNURA-UHFFFAOYSA-N -1 3 382.384 0.214 20 50 GCGDHM O=C(NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000823270109 946369350 /nfs/dbraw/zinc/36/93/50/946369350.db2.gz YXYKBLWBJBAEMK-GFCCVEGCSA-N -1 3 389.441 0.393 20 50 GCGDHM O=C(NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000823270109 946369362 /nfs/dbraw/zinc/36/93/62/946369362.db2.gz YXYKBLWBJBAEMK-GFCCVEGCSA-N -1 3 389.441 0.393 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@H](Oc2ccccn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277002 946393744 /nfs/dbraw/zinc/39/37/44/946393744.db2.gz BIIWZIKLFMSBKN-CQSZACIVSA-N -1 3 394.395 0.769 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@H](Oc2ccccn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277002 946393757 /nfs/dbraw/zinc/39/37/57/946393757.db2.gz BIIWZIKLFMSBKN-CQSZACIVSA-N -1 3 394.395 0.769 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824071998 946575398 /nfs/dbraw/zinc/57/53/98/946575398.db2.gz QACIXWNXCBHXFK-AWEZNQCLSA-N -1 3 387.444 0.434 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824071998 946575402 /nfs/dbraw/zinc/57/54/02/946575402.db2.gz QACIXWNXCBHXFK-AWEZNQCLSA-N -1 3 387.444 0.434 20 50 GCGDHM C[C@@H](CCO)C1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000824406897 946689537 /nfs/dbraw/zinc/68/95/37/946689537.db2.gz SEMPSHUPBPBGMM-LBPRGKRZSA-N -1 3 387.444 1.000 20 50 GCGDHM C[C@@H](CCO)C1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000824406897 946689543 /nfs/dbraw/zinc/68/95/43/946689543.db2.gz SEMPSHUPBPBGMM-LBPRGKRZSA-N -1 3 387.444 1.000 20 50 GCGDHM CC(=O)c1cn(CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nn1 ZINC001573558361 946937762 /nfs/dbraw/zinc/93/77/62/946937762.db2.gz JXDLYJMXZPWLNK-UHFFFAOYSA-N -1 3 395.305 0.823 20 50 GCGDHM CC(=O)c1cn(CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nn1 ZINC001573558361 946937771 /nfs/dbraw/zinc/93/77/71/946937771.db2.gz JXDLYJMXZPWLNK-UHFFFAOYSA-N -1 3 395.305 0.823 20 50 GCGDHM CS(=O)(=O)c1cccc(NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826223973 947660269 /nfs/dbraw/zinc/66/02/69/947660269.db2.gz JJFYOAVWKBJCAB-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM CS(=O)(=O)c1cccc(NNC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000826224250 947661871 /nfs/dbraw/zinc/66/18/71/947661871.db2.gz WHVYULNRPFGMDA-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM CS(=O)(=O)c1cccc(NNC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000826224250 947661879 /nfs/dbraw/zinc/66/18/79/947661879.db2.gz WHVYULNRPFGMDA-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM Cc1nnc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1C1CC1 ZINC000826235274 947688970 /nfs/dbraw/zinc/68/89/70/947688970.db2.gz GYADAVMTDFXQAG-MLPAPPSSSA-N -1 3 392.427 0.972 20 50 GCGDHM Cc1nnc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1C1CC1 ZINC000826235274 947688972 /nfs/dbraw/zinc/68/89/72/947688972.db2.gz GYADAVMTDFXQAG-MLPAPPSSSA-N -1 3 392.427 0.972 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nnc(C(C)C)n2C)cc(-c2nnn[n-]2)n1C ZINC000826235306 947689661 /nfs/dbraw/zinc/68/96/61/947689661.db2.gz HGYCJOJOXQQWIG-AWNIVKPZSA-N -1 3 394.443 0.989 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nnc(C(C)C)n2C)cc(-c2nn[n-]n2)n1C ZINC000826235306 947689668 /nfs/dbraw/zinc/68/96/68/947689668.db2.gz HGYCJOJOXQQWIG-AWNIVKPZSA-N -1 3 394.443 0.989 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@@H]1CCCOCC1 ZINC000826419037 948261594 /nfs/dbraw/zinc/26/15/94/948261594.db2.gz GXAKDGUOHMDVDX-LLVKDONJSA-N -1 3 375.389 0.145 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@@H]1CCCOCC1 ZINC000826419037 948261599 /nfs/dbraw/zinc/26/15/99/948261599.db2.gz GXAKDGUOHMDVDX-LLVKDONJSA-N -1 3 375.389 0.145 20 50 GCGDHM O=C(NCCc1ccc(CO)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439420 948298202 /nfs/dbraw/zinc/29/82/02/948298202.db2.gz UJVQGFVUZLTSHI-UHFFFAOYSA-N -1 3 381.396 0.546 20 50 GCGDHM O=C(NCCc1ccc(CO)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439420 948298210 /nfs/dbraw/zinc/29/82/10/948298210.db2.gz UJVQGFVUZLTSHI-UHFFFAOYSA-N -1 3 381.396 0.546 20 50 GCGDHM COc1ccc(Cl)cc1C(=O)NNC(=O)CN[C@@]1(CC(=O)[O-])CCCOC1 ZINC001599580148 998515713 /nfs/dbraw/zinc/51/57/13/998515713.db2.gz VIAAMMYJDFWVAJ-QGZVFWFLSA-N -1 3 399.831 0.723 20 50 GCGDHM CS(=O)(=O)NCc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826223714 607341894 /nfs/dbraw/zinc/34/18/94/607341894.db2.gz XEFUBMGXANNFHV-UHFFFAOYSA-N -1 3 377.386 0.266 20 50 GCGDHM Cn1ncc2c1nc(CCC(=O)NNc1ccc(-c3nn[n-]n3)cc1)[nH]c2=O ZINC000826366430 607349527 /nfs/dbraw/zinc/34/95/27/607349527.db2.gz HUFASGJPQGTSQM-UHFFFAOYSA-N -1 3 380.372 0.325 20 50 GCGDHM O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406652 607349672 /nfs/dbraw/zinc/34/96/72/607349672.db2.gz HGZGFPNNAYXFLA-UHFFFAOYSA-N -1 3 384.400 0.565 20 50 GCGDHM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825296747 607352520 /nfs/dbraw/zinc/35/25/20/607352520.db2.gz UUDRLYCKZWKXQL-AWEZNQCLSA-N -1 3 393.473 0.904 20 50 GCGDHM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000824936146 607355044 /nfs/dbraw/zinc/35/50/44/607355044.db2.gz FCSOSXPUQUDEID-VOJFVSQTSA-N -1 3 398.427 0.811 20 50 GCGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000824039752 607355739 /nfs/dbraw/zinc/35/57/39/607355739.db2.gz HBFAJSVHRSHUDQ-SNVBAGLBSA-N -1 3 384.400 0.563 20 50 GCGDHM CCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825663604 607356156 /nfs/dbraw/zinc/35/61/56/607356156.db2.gz SGAXRFBBWKVAMM-GFCCVEGCSA-N -1 3 379.446 0.372 20 50 GCGDHM O=Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823557384 599651832 /nfs/dbraw/zinc/65/18/32/599651832.db2.gz KPMVVAVVOUUSPV-UHFFFAOYSA-N -1 3 394.347 0.297 20 50 GCGDHM O=Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823557384 599651833 /nfs/dbraw/zinc/65/18/33/599651833.db2.gz KPMVVAVVOUUSPV-UHFFFAOYSA-N -1 3 394.347 0.297 20 50 GCGDHM C[C@@H](C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1C(=O)CCC1=O ZINC000824040204 607394061 /nfs/dbraw/zinc/39/40/61/607394061.db2.gz MWIDKSFQAYZSBX-ZETCQYMHSA-N -1 3 397.317 0.866 20 50 GCGDHM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1C(=O)CCC1=O ZINC000824040204 607394062 /nfs/dbraw/zinc/39/40/62/607394062.db2.gz MWIDKSFQAYZSBX-ZETCQYMHSA-N -1 3 397.317 0.866 20 50 GCGDHM O=C(Cn1cccnc1=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826424280 607395447 /nfs/dbraw/zinc/39/54/47/607395447.db2.gz DTFDIAXFJHSBSG-UHFFFAOYSA-N -1 3 380.290 0.586 20 50 GCGDHM O=C(Cn1cccnc1=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826424280 607395448 /nfs/dbraw/zinc/39/54/48/607395448.db2.gz DTFDIAXFJHSBSG-UHFFFAOYSA-N -1 3 380.290 0.586 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1cccc([N+](=O)[O-])c1 ZINC000826412037 607463515 /nfs/dbraw/zinc/46/35/15/607463515.db2.gz YWCLSWYOJCISPC-UHFFFAOYSA-N -1 3 382.340 0.648 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1cccc([N+](=O)[O-])c1 ZINC000826412037 607463516 /nfs/dbraw/zinc/46/35/16/607463516.db2.gz YWCLSWYOJCISPC-UHFFFAOYSA-N -1 3 382.340 0.648 20 50 GCGDHM NS(=O)(=O)c1ccc(Cl)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826394309 607463831 /nfs/dbraw/zinc/46/38/31/607463831.db2.gz FNLGHSHQTMBVDX-UHFFFAOYSA-N -1 3 393.816 0.924 20 50 GCGDHM NS(=O)(=O)c1ccc(Cl)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826394309 607463832 /nfs/dbraw/zinc/46/38/32/607463832.db2.gz FNLGHSHQTMBVDX-UHFFFAOYSA-N -1 3 393.816 0.924 20 50 GCGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000826418176 607472015 /nfs/dbraw/zinc/47/20/15/607472015.db2.gz TXSDVRBQXQQUJS-HNNXBMFYSA-N -1 3 396.363 0.233 20 50 GCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000826418176 607472016 /nfs/dbraw/zinc/47/20/16/607472016.db2.gz TXSDVRBQXQQUJS-HNNXBMFYSA-N -1 3 396.363 0.233 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)COCC(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235605 607510355 /nfs/dbraw/zinc/51/03/55/607510355.db2.gz MVWSVZXZISIRAS-JVDKPVQESA-N -1 3 387.444 0.570 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)COCC(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235605 607510356 /nfs/dbraw/zinc/51/03/56/607510356.db2.gz MVWSVZXZISIRAS-JVDKPVQESA-N -1 3 387.444 0.570 20 50 GCGDHM O=C(NCCOc1ncccc1F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826439426 607565652 /nfs/dbraw/zinc/56/56/52/607565652.db2.gz URENAOODUMVFKS-UHFFFAOYSA-N -1 3 386.347 0.424 20 50 GCGDHM O=C(NCCOc1ncccc1F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826439426 607565654 /nfs/dbraw/zinc/56/56/54/607565654.db2.gz URENAOODUMVFKS-UHFFFAOYSA-N -1 3 386.347 0.424 20 50 GCGDHM O=C(NC[C@@H]1CCCn2ccnc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826435614 607565722 /nfs/dbraw/zinc/56/57/22/607565722.db2.gz RYZGXAOMGTVBDB-ZDUSSCGKSA-N -1 3 381.400 0.585 20 50 GCGDHM O=C(NC[C@@H]1CCCn2ccnc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826435614 607565723 /nfs/dbraw/zinc/56/57/23/607565723.db2.gz RYZGXAOMGTVBDB-ZDUSSCGKSA-N -1 3 381.400 0.585 20 50 GCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000826249795 607648314 /nfs/dbraw/zinc/64/83/14/607648314.db2.gz VMFIXYZNWTZHCW-UHFFFAOYSA-N -1 3 390.363 0.899 20 50 GCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000826249795 607648315 /nfs/dbraw/zinc/64/83/15/607648315.db2.gz VMFIXYZNWTZHCW-UHFFFAOYSA-N -1 3 390.363 0.899 20 50 GCGDHM CCS(=O)(=O)N1CCC(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825663461 607716837 /nfs/dbraw/zinc/71/68/37/607716837.db2.gz PMUHQBGSCLEILN-UHFFFAOYSA-N -1 3 379.446 0.372 20 50 GCGDHM CCS(=O)(=O)N1CCC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825663461 607716839 /nfs/dbraw/zinc/71/68/39/607716839.db2.gz PMUHQBGSCLEILN-UHFFFAOYSA-N -1 3 379.446 0.372 20 50 GCGDHM C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824650408 607716885 /nfs/dbraw/zinc/71/68/85/607716885.db2.gz RIWLECKSOFSHLF-VIFPVBQESA-N -1 3 393.454 0.738 20 50 GCGDHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825341627 607716955 /nfs/dbraw/zinc/71/69/55/607716955.db2.gz GPXIUQFDDPCZEN-CYBMUJFWSA-N -1 3 379.446 0.514 20 50 GCGDHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825341627 607716957 /nfs/dbraw/zinc/71/69/57/607716957.db2.gz GPXIUQFDDPCZEN-CYBMUJFWSA-N -1 3 379.446 0.514 20 50 GCGDHM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409802 607717694 /nfs/dbraw/zinc/71/76/94/607717694.db2.gz PYCKPKBIZPRYMD-UHFFFAOYSA-N -1 3 392.379 0.816 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000826448639 607718124 /nfs/dbraw/zinc/71/81/24/607718124.db2.gz DVZWFOLJQNMPAF-UHFFFAOYSA-N -1 3 392.379 0.675 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000826448639 607718126 /nfs/dbraw/zinc/71/81/26/607718126.db2.gz DVZWFOLJQNMPAF-UHFFFAOYSA-N -1 3 392.379 0.675 20 50 GCGDHM O=C(CNS(=O)(=O)c1cccs1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412724 607719464 /nfs/dbraw/zinc/71/94/64/607719464.db2.gz AUHNEINQMULHMB-UHFFFAOYSA-N -1 3 379.427 0.350 20 50 GCGDHM Cc1ccc(-c2nnn(CC(=O)NNc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000826273871 607721294 /nfs/dbraw/zinc/72/12/94/607721294.db2.gz XYGPYPMJKFBFGJ-UHFFFAOYSA-N -1 3 376.384 0.972 20 50 GCGDHM Cc1ccc(-c2nnn(CC(=O)NNc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000826273871 607721295 /nfs/dbraw/zinc/72/12/95/607721295.db2.gz XYGPYPMJKFBFGJ-UHFFFAOYSA-N -1 3 376.384 0.972 20 50 GCGDHM CN(C)S(=O)(=O)c1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825875567 607723957 /nfs/dbraw/zinc/72/39/57/607723957.db2.gz SWDGOBZGULFUKG-UHFFFAOYSA-N -1 3 387.425 0.874 20 50 GCGDHM CN(C)S(=O)(=O)c1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825875567 607723959 /nfs/dbraw/zinc/72/39/59/607723959.db2.gz SWDGOBZGULFUKG-UHFFFAOYSA-N -1 3 387.425 0.874 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826448119 607732660 /nfs/dbraw/zinc/73/26/60/607732660.db2.gz JEQHJKRMNHOROK-ZDUSSCGKSA-N -1 3 378.396 0.754 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826448119 607732662 /nfs/dbraw/zinc/73/26/62/607732662.db2.gz JEQHJKRMNHOROK-ZDUSSCGKSA-N -1 3 378.396 0.754 20 50 GCGDHM O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826447657 607756496 /nfs/dbraw/zinc/75/64/96/607756496.db2.gz PZOZQQVTRGIPPD-UHFFFAOYSA-N -1 3 383.340 0.948 20 50 GCGDHM O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826447657 607756497 /nfs/dbraw/zinc/75/64/97/607756497.db2.gz PZOZQQVTRGIPPD-UHFFFAOYSA-N -1 3 383.340 0.948 20 50 GCGDHM O=C(NNC(=O)N1CCC(c2ncc[nH]2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277700 606668969 /nfs/dbraw/zinc/66/89/69/606668969.db2.gz UOYLXRSFJGSSJK-UHFFFAOYSA-N -1 3 381.400 0.824 20 50 GCGDHM O=C(NNC(=O)N1CCC(c2ncc[nH]2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277700 606668970 /nfs/dbraw/zinc/66/89/70/606668970.db2.gz UOYLXRSFJGSSJK-UHFFFAOYSA-N -1 3 381.400 0.824 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277784 606791502 /nfs/dbraw/zinc/79/15/02/606791502.db2.gz WWCDPAVYVKTHHT-KBPBESRZSA-N -1 3 387.400 0.101 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277784 606791503 /nfs/dbraw/zinc/79/15/03/606791503.db2.gz WWCDPAVYVKTHHT-KBPBESRZSA-N -1 3 387.400 0.101 20 50 GCGDHM CC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)[C@H](C)C1 ZINC000823975044 607772830 /nfs/dbraw/zinc/77/28/30/607772830.db2.gz TXLHPACRLTWTAD-SJSNFFDASA-N -1 3 396.455 0.794 20 50 GCGDHM CC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)[C@H](C)C1 ZINC000823975044 607772831 /nfs/dbraw/zinc/77/28/31/607772831.db2.gz TXLHPACRLTWTAD-SJSNFFDASA-N -1 3 396.455 0.794 20 50 GCGDHM CC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)[C@@H](C)C1 ZINC000823974860 607772872 /nfs/dbraw/zinc/77/28/72/607772872.db2.gz TXLHPACRLTWTAD-AACFVJOYSA-N -1 3 396.455 0.794 20 50 GCGDHM CC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)[C@@H](C)C1 ZINC000823974860 607772873 /nfs/dbraw/zinc/77/28/73/607772873.db2.gz TXLHPACRLTWTAD-AACFVJOYSA-N -1 3 396.455 0.794 20 50 GCGDHM Cn1cnc2cc(C(=O)NNC(=O)COc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826364897 607805131 /nfs/dbraw/zinc/80/51/31/607805131.db2.gz QDCFDRXTYUNXCT-UHFFFAOYSA-N -1 3 392.379 0.593 20 50 GCGDHM CC(=O)OC1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000824005505 607807515 /nfs/dbraw/zinc/80/75/15/607807515.db2.gz VMQUUXNAEGDXFW-RIYZIHGNSA-N -1 3 383.412 0.975 20 50 GCGDHM CC(=O)OC1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000824005505 607807516 /nfs/dbraw/zinc/80/75/16/607807516.db2.gz VMQUUXNAEGDXFW-RIYZIHGNSA-N -1 3 383.412 0.975 20 50 GCGDHM CCN(CCS(C)(=O)=O)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825424406 607808864 /nfs/dbraw/zinc/80/88/64/607808864.db2.gz FXAJVECRFXZQHR-MDWZMJQESA-N -1 3 391.457 0.314 20 50 GCGDHM CCN(CCS(C)(=O)=O)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825424406 607808865 /nfs/dbraw/zinc/80/88/65/607808865.db2.gz FXAJVECRFXZQHR-MDWZMJQESA-N -1 3 391.457 0.314 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826444963 607823752 /nfs/dbraw/zinc/82/37/52/607823752.db2.gz ARYZOUXMKIPIJD-MJBXVCDLSA-N -1 3 383.412 0.768 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826444963 607823753 /nfs/dbraw/zinc/82/37/53/607823753.db2.gz ARYZOUXMKIPIJD-MJBXVCDLSA-N -1 3 383.412 0.768 20 50 GCGDHM CN(C)c1cccc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825879067 607854414 /nfs/dbraw/zinc/85/44/14/607854414.db2.gz GOQPKPXJMMFTQD-UHFFFAOYSA-N -1 3 381.400 0.472 20 50 GCGDHM CN(C)c1cccc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825879067 607854415 /nfs/dbraw/zinc/85/44/15/607854415.db2.gz GOQPKPXJMMFTQD-UHFFFAOYSA-N -1 3 381.400 0.472 20 50 GCGDHM CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825760344 607854667 /nfs/dbraw/zinc/85/46/67/607854667.db2.gz VQYUCZSYYRJSKN-UHFFFAOYSA-N -1 3 397.443 0.869 20 50 GCGDHM CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825760344 607854668 /nfs/dbraw/zinc/85/46/68/607854668.db2.gz VQYUCZSYYRJSKN-UHFFFAOYSA-N -1 3 397.443 0.869 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@H](C2CCOCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444311 607854794 /nfs/dbraw/zinc/85/47/94/607854794.db2.gz ALORBBJPOJVUPO-OAHLLOKOSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@H](C2CCOCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444311 607854795 /nfs/dbraw/zinc/85/47/95/607854795.db2.gz ALORBBJPOJVUPO-OAHLLOKOSA-N -1 3 385.428 0.970 20 50 GCGDHM CC(=O)N1CC[C@@H](CN(C)C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000823974171 607861888 /nfs/dbraw/zinc/86/18/88/607861888.db2.gz NWWXPVYISMQHII-DCOUHSHFSA-N -1 3 396.455 0.747 20 50 GCGDHM CC(=O)N1CC[C@@H](CN(C)C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000823974171 607861889 /nfs/dbraw/zinc/86/18/89/607861889.db2.gz NWWXPVYISMQHII-DCOUHSHFSA-N -1 3 396.455 0.747 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1cn(-c2ccccc2)nn1 ZINC000826417491 607882373 /nfs/dbraw/zinc/88/23/73/607882373.db2.gz SHYXVPZZGVEQEN-UHFFFAOYSA-N -1 3 389.379 0.977 20 50 GCGDHM Cc1nc([C@@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000826325350 607922742 /nfs/dbraw/zinc/92/27/42/607922742.db2.gz UYSHEAHDSHSNOL-ZDUSSCGKSA-N -1 3 397.399 0.156 20 50 GCGDHM Cc1nc([C@@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000826325350 607922743 /nfs/dbraw/zinc/92/27/43/607922743.db2.gz UYSHEAHDSHSNOL-ZDUSSCGKSA-N -1 3 397.399 0.156 20 50 GCGDHM C[C@H]1SCCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC000825022511 607923748 /nfs/dbraw/zinc/92/37/48/607923748.db2.gz XZIPBZBZOPAFCU-GHMZBOCLSA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@H]1SCCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC000825022511 607923749 /nfs/dbraw/zinc/92/37/49/607923749.db2.gz XZIPBZBZOPAFCU-GHMZBOCLSA-N -1 3 375.458 0.454 20 50 GCGDHM O=C(CN1CCOc2cc(F)ccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411303 607924027 /nfs/dbraw/zinc/92/40/27/607924027.db2.gz TVHDWBPUMOYLCV-UHFFFAOYSA-N -1 3 397.370 0.666 20 50 GCGDHM O=C(CN1CCOc2cc(F)ccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411303 607924028 /nfs/dbraw/zinc/92/40/28/607924028.db2.gz TVHDWBPUMOYLCV-UHFFFAOYSA-N -1 3 397.370 0.666 20 50 GCGDHM CCN(CCc1ccccn1)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825428147 607924405 /nfs/dbraw/zinc/92/44/05/607924405.db2.gz DFDYJZLYKKYUFC-UHFFFAOYSA-N -1 3 394.439 0.587 20 50 GCGDHM O=C(CN1CCOc2ccc(F)cc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411398 607924597 /nfs/dbraw/zinc/92/45/97/607924597.db2.gz WWRVBOKEWABINX-UHFFFAOYSA-N -1 3 397.370 0.666 20 50 GCGDHM O=C(CN1CCOc2ccc(F)cc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411398 607924598 /nfs/dbraw/zinc/92/45/98/607924598.db2.gz WWRVBOKEWABINX-UHFFFAOYSA-N -1 3 397.370 0.666 20 50 GCGDHM C[C@@H]1COc2ccccc2N1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825014791 607925401 /nfs/dbraw/zinc/92/54/01/607925401.db2.gz XYQUPJXQZHNJNV-GFCCVEGCSA-N -1 3 393.407 0.915 20 50 GCGDHM C[C@@H]1COc2ccccc2N1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825014791 607925402 /nfs/dbraw/zinc/92/54/02/607925402.db2.gz XYQUPJXQZHNJNV-GFCCVEGCSA-N -1 3 393.407 0.915 20 50 GCGDHM CC[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000825134618 607927842 /nfs/dbraw/zinc/92/78/42/607927842.db2.gz VQHHOLUHAGUTTJ-JSGCOSHPSA-N -1 3 389.416 0.534 20 50 GCGDHM CC[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825134618 607927843 /nfs/dbraw/zinc/92/78/43/607927843.db2.gz VQHHOLUHAGUTTJ-JSGCOSHPSA-N -1 3 389.416 0.534 20 50 GCGDHM CC[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC000825133137 607927991 /nfs/dbraw/zinc/92/79/91/607927991.db2.gz JVKFLOBLGZFEIA-UONOGXRCSA-N -1 3 389.416 0.534 20 50 GCGDHM CC[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC000825134617 607928078 /nfs/dbraw/zinc/92/80/78/607928078.db2.gz VQHHOLUHAGUTTJ-GXTWGEPZSA-N -1 3 389.416 0.534 20 50 GCGDHM CC[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000825134617 607928079 /nfs/dbraw/zinc/92/80/79/607928079.db2.gz VQHHOLUHAGUTTJ-GXTWGEPZSA-N -1 3 389.416 0.534 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824670456 607979314 /nfs/dbraw/zinc/97/93/14/607979314.db2.gz OYHDTTWIOPTDEF-SFHVURJKSA-N -1 3 399.386 0.858 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824670456 607979315 /nfs/dbraw/zinc/97/93/15/607979315.db2.gz OYHDTTWIOPTDEF-SFHVURJKSA-N -1 3 399.386 0.858 20 50 GCGDHM CN1C(=O)CCc2cc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000826010679 607981986 /nfs/dbraw/zinc/98/19/86/607981986.db2.gz NZFUYOKROMHFSU-UHFFFAOYSA-N -1 3 391.391 0.851 20 50 GCGDHM CN1C(=O)CCc2cc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826010679 607981987 /nfs/dbraw/zinc/98/19/87/607981987.db2.gz NZFUYOKROMHFSU-UHFFFAOYSA-N -1 3 391.391 0.851 20 50 GCGDHM CCOC(=O)CC[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825505952 608033637 /nfs/dbraw/zinc/03/36/37/608033637.db2.gz AAWJOIUDMBVAFN-JTQLQIEISA-N -1 3 375.389 0.543 20 50 GCGDHM CCOC(=O)CC[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825505952 608033638 /nfs/dbraw/zinc/03/36/38/608033638.db2.gz AAWJOIUDMBVAFN-JTQLQIEISA-N -1 3 375.389 0.543 20 50 GCGDHM O=C(CN1CC[C@H](C(F)(F)F)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410735 608041534 /nfs/dbraw/zinc/04/15/34/608041534.db2.gz WRGZZRFOTSSMGU-NSHDSACASA-N -1 3 383.334 0.512 20 50 GCGDHM O=C(CN1CC[C@H](C(F)(F)F)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410735 608041535 /nfs/dbraw/zinc/04/15/35/608041535.db2.gz WRGZZRFOTSSMGU-NSHDSACASA-N -1 3 383.334 0.512 20 50 GCGDHM O=C(CN(CC(F)F)CC1CCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409777 608064935 /nfs/dbraw/zinc/06/49/35/608064935.db2.gz OMRURIIAEKJHRH-UHFFFAOYSA-N -1 3 393.398 0.995 20 50 GCGDHM O=C(CN(CC(F)F)CC1CCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409777 608064936 /nfs/dbraw/zinc/06/49/36/608064936.db2.gz OMRURIIAEKJHRH-UHFFFAOYSA-N -1 3 393.398 0.995 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235783 608078800 /nfs/dbraw/zinc/07/88/00/608078800.db2.gz QYHWYYRGXRNEOG-IUZNHRGFSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235783 608078801 /nfs/dbraw/zinc/07/88/01/608078801.db2.gz QYHWYYRGXRNEOG-IUZNHRGFSA-N -1 3 383.334 0.850 20 50 GCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=S)N1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948179 608094143 /nfs/dbraw/zinc/09/41/43/608094143.db2.gz FQUIJXSGOVUHPK-UHFFFAOYSA-N -1 3 376.427 0.795 20 50 GCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C ZINC000826358007 608112459 /nfs/dbraw/zinc/11/24/59/608112459.db2.gz ZVDVSWSRTWDHGS-UHFFFAOYSA-N -1 3 392.420 0.271 20 50 GCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C ZINC000826358007 608112460 /nfs/dbraw/zinc/11/24/60/608112460.db2.gz ZVDVSWSRTWDHGS-UHFFFAOYSA-N -1 3 392.420 0.271 20 50 GCGDHM C[C@@H](Oc1cccc(CO)c1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824737665 608120241 /nfs/dbraw/zinc/12/02/41/608120241.db2.gz KBKWKBQPXMUXDT-LLVKDONJSA-N -1 3 382.380 0.588 20 50 GCGDHM C[C@@H](Oc1cccc(CO)c1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824737665 608120242 /nfs/dbraw/zinc/12/02/42/608120242.db2.gz KBKWKBQPXMUXDT-LLVKDONJSA-N -1 3 382.380 0.588 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)CN2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000826235675 608142716 /nfs/dbraw/zinc/14/27/16/608142716.db2.gz OTHKBPFLITWGNX-AAWHYMEISA-N -1 3 385.428 0.685 20 50 GCGDHM Cc1n[nH]c(C)c1[C@H](C)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826321763 608143410 /nfs/dbraw/zinc/14/34/10/608143410.db2.gz ONAAJDICFBIFQN-VIFPVBQESA-N -1 3 384.400 0.537 20 50 GCGDHM CCN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccccn1 ZINC000825395806 608159949 /nfs/dbraw/zinc/15/99/49/608159949.db2.gz VYUZKWWMYDGQFJ-UHFFFAOYSA-N -1 3 380.412 0.545 20 50 GCGDHM CCN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccccn1 ZINC000825395806 608159950 /nfs/dbraw/zinc/15/99/50/608159950.db2.gz VYUZKWWMYDGQFJ-UHFFFAOYSA-N -1 3 380.412 0.545 20 50 GCGDHM Cc1ccc2c(c1)N(CC(=O)NNC(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826294077 608165460 /nfs/dbraw/zinc/16/54/60/608165460.db2.gz IEUQRIPJZAHHJK-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM Cc1ccc2c(c1)N(CC(=O)NNC(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826294077 608165461 /nfs/dbraw/zinc/16/54/61/608165461.db2.gz IEUQRIPJZAHHJK-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM CC(=O)N1CCOC[C@H]1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823980381 608169962 /nfs/dbraw/zinc/16/99/62/608169962.db2.gz BUOSLUBTXUPJQZ-LBPRGKRZSA-N -1 3 399.333 0.576 20 50 GCGDHM CC(=O)N1CCOC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823980381 608169963 /nfs/dbraw/zinc/16/99/63/608169963.db2.gz BUOSLUBTXUPJQZ-LBPRGKRZSA-N -1 3 399.333 0.576 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)CC(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235732 608182708 /nfs/dbraw/zinc/18/27/08/608182708.db2.gz PUYUORWKOWOIAS-JNZVDCKRSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)CC(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235732 608182709 /nfs/dbraw/zinc/18/27/09/608182709.db2.gz PUYUORWKOWOIAS-JNZVDCKRSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826284818 608216673 /nfs/dbraw/zinc/21/66/73/608216673.db2.gz HDMXUVDNNJMDCO-UHFFFAOYSA-N -1 3 396.411 0.517 20 50 GCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826284818 608216675 /nfs/dbraw/zinc/21/66/75/608216675.db2.gz HDMXUVDNNJMDCO-UHFFFAOYSA-N -1 3 396.411 0.517 20 50 GCGDHM O=C(CN(Cc1cccnc1)C1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409914 608260604 /nfs/dbraw/zinc/26/06/04/608260604.db2.gz UAPFSGANJAHFPY-UHFFFAOYSA-N -1 3 392.423 0.687 20 50 GCGDHM O=C(CN(Cc1cccnc1)C1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409914 608260605 /nfs/dbraw/zinc/26/06/05/608260605.db2.gz UAPFSGANJAHFPY-UHFFFAOYSA-N -1 3 392.423 0.687 20 50 GCGDHM O=C(C#Cc1ccccc1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826414839 608317930 /nfs/dbraw/zinc/31/79/30/608317930.db2.gz JPVWNKHLFKFGAP-UHFFFAOYSA-N -1 3 390.359 0.223 20 50 GCGDHM O=C(C#Cc1ccccc1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826414839 608317931 /nfs/dbraw/zinc/31/79/31/608317931.db2.gz JPVWNKHLFKFGAP-UHFFFAOYSA-N -1 3 390.359 0.223 20 50 GCGDHM NC(=O)CCC1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826390788 608406034 /nfs/dbraw/zinc/40/60/34/608406034.db2.gz MAHGTVBPDYDYGH-UHFFFAOYSA-N -1 3 386.416 0.199 20 50 GCGDHM NC(=O)CCC1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826390788 608406035 /nfs/dbraw/zinc/40/60/35/608406035.db2.gz MAHGTVBPDYDYGH-UHFFFAOYSA-N -1 3 386.416 0.199 20 50 GCGDHM CC[C@H](SC)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825158951 608457870 /nfs/dbraw/zinc/45/78/70/608457870.db2.gz FMUUIKOPCBPOJJ-NSHDSACASA-N -1 3 378.414 0.313 20 50 GCGDHM CC[C@H](SC)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825158951 608457871 /nfs/dbraw/zinc/45/78/71/608457871.db2.gz FMUUIKOPCBPOJJ-NSHDSACASA-N -1 3 378.414 0.313 20 50 GCGDHM CC[C@@H](SC)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825159550 608458532 /nfs/dbraw/zinc/45/85/32/608458532.db2.gz PRUGZRGNOIKDKL-LLVKDONJSA-N -1 3 378.414 0.313 20 50 GCGDHM CC[C@@H](SC)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825159550 608458534 /nfs/dbraw/zinc/45/85/34/608458534.db2.gz PRUGZRGNOIKDKL-LLVKDONJSA-N -1 3 378.414 0.313 20 50 GCGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824893351 608492900 /nfs/dbraw/zinc/49/29/00/608492900.db2.gz QBWCNJIYYGOJRR-ZSBIGDGJSA-N -1 3 389.416 0.532 20 50 GCGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824893351 608492902 /nfs/dbraw/zinc/49/29/02/608492902.db2.gz QBWCNJIYYGOJRR-ZSBIGDGJSA-N -1 3 389.416 0.532 20 50 GCGDHM O=C(NNc1c(F)c(F)nc(F)c1F)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444972 609184317 /nfs/dbraw/zinc/18/43/17/609184317.db2.gz BEYAWHVHAHEVDG-SNVBAGLBSA-N -1 3 383.265 0.995 20 50 GCGDHM O=C(NNc1c(F)c(F)nc(F)c1F)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444972 609184319 /nfs/dbraw/zinc/18/43/19/609184319.db2.gz BEYAWHVHAHEVDG-SNVBAGLBSA-N -1 3 383.265 0.995 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826236069 609265594 /nfs/dbraw/zinc/26/55/94/609265594.db2.gz XTTVEEKPYJHOOX-VWBIBIBXSA-N -1 3 394.439 0.548 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826236069 609265596 /nfs/dbraw/zinc/26/55/96/609265596.db2.gz XTTVEEKPYJHOOX-VWBIBIBXSA-N -1 3 394.439 0.548 20 50 GCGDHM CCO/C=C(/C#N)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825582305 609265937 /nfs/dbraw/zinc/26/59/37/609265937.db2.gz JELYSAQQPGXNJU-HVCHUGMYSA-N -1 3 381.396 0.922 20 50 GCGDHM CCO/C=C(/C#N)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825582305 609265938 /nfs/dbraw/zinc/26/59/38/609265938.db2.gz JELYSAQQPGXNJU-HVCHUGMYSA-N -1 3 381.396 0.922 20 50 GCGDHM O=C(CN1CCC[C@@H](OC(F)F)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826410827 609299453 /nfs/dbraw/zinc/29/94/53/609299453.db2.gz ZPRLZUFAOFLOFH-GFCCVEGCSA-N -1 3 395.370 0.331 20 50 GCGDHM O=C(CN1CCC[C@@H](OC(F)F)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826410827 609299454 /nfs/dbraw/zinc/29/94/54/609299454.db2.gz ZPRLZUFAOFLOFH-GFCCVEGCSA-N -1 3 395.370 0.331 20 50 GCGDHM C[C@H](c1ccccc1)[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824772653 609445600 /nfs/dbraw/zinc/44/56/00/609445600.db2.gz WLYSPQUWPFXUMS-WBMJQRKESA-N -1 3 395.423 0.975 20 50 GCGDHM C[C@H](c1ccccc1)[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824772653 609445601 /nfs/dbraw/zinc/44/56/01/609445601.db2.gz WLYSPQUWPFXUMS-WBMJQRKESA-N -1 3 395.423 0.975 20 50 GCGDHM CCC[C@@H]1C[C@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825254217 609534285 /nfs/dbraw/zinc/53/42/85/609534285.db2.gz RIYNJXLOEYKIGW-UKRRQHHQSA-N -1 3 388.428 0.988 20 50 GCGDHM O=C(NNC(=O)N1CCC([C@@H]2CCOC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444687 609607208 /nfs/dbraw/zinc/60/72/08/609607208.db2.gz QIPMWVQSTZFGCT-OAHLLOKOSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC([C@@H]2CCOC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444687 609607209 /nfs/dbraw/zinc/60/72/09/609607209.db2.gz QIPMWVQSTZFGCT-OAHLLOKOSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NC[C@@H](O)CCc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826432415 609608629 /nfs/dbraw/zinc/60/86/29/609608629.db2.gz AESCTHRIEPVBTE-INIZCTEOSA-N -1 3 395.423 0.804 20 50 GCGDHM O=C(NC[C@@H](O)CCc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826432415 609608631 /nfs/dbraw/zinc/60/86/31/609608631.db2.gz AESCTHRIEPVBTE-INIZCTEOSA-N -1 3 395.423 0.804 20 50 GCGDHM Cc1nn(C)c(C)c1CN(C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737510206 945087786 /nfs/dbraw/zinc/08/77/86/945087786.db2.gz KBDFGWGRPXXABX-UHFFFAOYSA-N -1 3 383.416 0.703 20 50 GCGDHM Cc1nn(C)c(C)c1CN(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737510206 945087791 /nfs/dbraw/zinc/08/77/91/945087791.db2.gz KBDFGWGRPXXABX-UHFFFAOYSA-N -1 3 383.416 0.703 20 50 GCGDHM Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737513429 945086093 /nfs/dbraw/zinc/08/60/93/945086093.db2.gz MTVVKIMREFULAM-JTQLQIEISA-N -1 3 399.415 0.379 20 50 GCGDHM Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737513429 945086100 /nfs/dbraw/zinc/08/61/00/945086100.db2.gz MTVVKIMREFULAM-JTQLQIEISA-N -1 3 399.415 0.379 20 50 GCGDHM Cn1c(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)nnc1C1CC1 ZINC000737590649 945098951 /nfs/dbraw/zinc/09/89/51/945098951.db2.gz BOJFKQMGHNMYGQ-UHFFFAOYSA-N -1 3 399.440 0.426 20 50 GCGDHM Cn1c(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)nnc1C1CC1 ZINC000737590649 945098966 /nfs/dbraw/zinc/09/89/66/945098966.db2.gz BOJFKQMGHNMYGQ-UHFFFAOYSA-N -1 3 399.440 0.426 20 50 GCGDHM Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737626429 945104879 /nfs/dbraw/zinc/10/48/79/945104879.db2.gz COEOJCLSQDYXLX-ZDUSSCGKSA-N -1 3 381.400 0.622 20 50 GCGDHM Cn1ncc2c1CCC[C@@H]2NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737626429 945104883 /nfs/dbraw/zinc/10/48/83/945104883.db2.gz COEOJCLSQDYXLX-ZDUSSCGKSA-N -1 3 381.400 0.622 20 50 GCGDHM N#CCOc1ccc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737698043 945113036 /nfs/dbraw/zinc/11/30/36/945113036.db2.gz SNJXGNQLQZSCSN-UHFFFAOYSA-N -1 3 392.379 0.913 20 50 GCGDHM N#CCOc1ccc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737698043 945113040 /nfs/dbraw/zinc/11/30/40/945113040.db2.gz SNJXGNQLQZSCSN-UHFFFAOYSA-N -1 3 392.379 0.913 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737713589 945114735 /nfs/dbraw/zinc/11/47/35/945114735.db2.gz ZJMJJEYGJKROKX-UHFFFAOYSA-N -1 3 391.351 0.027 20 50 GCGDHM N#Cc1cccnc1NCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737727012 945118135 /nfs/dbraw/zinc/11/81/35/945118135.db2.gz BJCULSDBUYLGAG-UHFFFAOYSA-N -1 3 392.383 0.189 20 50 GCGDHM N#Cc1cccnc1NCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737727012 945118144 /nfs/dbraw/zinc/11/81/44/945118144.db2.gz BJCULSDBUYLGAG-UHFFFAOYSA-N -1 3 392.383 0.189 20 50 GCGDHM NC(=O)[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737729886 945118442 /nfs/dbraw/zinc/11/84/42/945118442.db2.gz FGQONIYFQJNQRQ-ZDUSSCGKSA-N -1 3 380.368 0.037 20 50 GCGDHM NC(=O)[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737729886 945118443 /nfs/dbraw/zinc/11/84/43/945118443.db2.gz FGQONIYFQJNQRQ-ZDUSSCGKSA-N -1 3 380.368 0.037 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)Cn1ccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736392 945118480 /nfs/dbraw/zinc/11/84/80/945118480.db2.gz JDGFHFZIONGCFQ-KRWDZBQOSA-N -1 3 390.407 0.669 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)Cn1ccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736392 945118485 /nfs/dbraw/zinc/11/84/85/945118485.db2.gz JDGFHFZIONGCFQ-KRWDZBQOSA-N -1 3 390.407 0.669 20 50 GCGDHM NC(=O)[C@H](NNC(=O)COc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739376 945120328 /nfs/dbraw/zinc/12/03/28/945120328.db2.gz YOMQFKNRPJEXMX-OAHLLOKOSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)[C@H](NNC(=O)COc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739376 945120336 /nfs/dbraw/zinc/12/03/36/945120336.db2.gz YOMQFKNRPJEXMX-OAHLLOKOSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737110 945120427 /nfs/dbraw/zinc/12/04/27/945120427.db2.gz OFUJTUQKHIUJEN-GJZGRUSLSA-N -1 3 379.380 0.018 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737110 945120432 /nfs/dbraw/zinc/12/04/32/945120432.db2.gz OFUJTUQKHIUJEN-GJZGRUSLSA-N -1 3 379.380 0.018 20 50 GCGDHM NC(=O)[C@H](NNC(=O)COc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737983 945120930 /nfs/dbraw/zinc/12/09/30/945120930.db2.gz TUYHUBKTXMPPAW-OAHLLOKOSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)[C@H](NNC(=O)COc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737983 945120932 /nfs/dbraw/zinc/12/09/32/945120932.db2.gz TUYHUBKTXMPPAW-OAHLLOKOSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737758647 945122841 /nfs/dbraw/zinc/12/28/41/945122841.db2.gz BBEKZONLVQBGEK-UHFFFAOYSA-N -1 3 380.368 0.110 20 50 GCGDHM NC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737758647 945122847 /nfs/dbraw/zinc/12/28/47/945122847.db2.gz BBEKZONLVQBGEK-UHFFFAOYSA-N -1 3 380.368 0.110 20 50 GCGDHM O=C(C=Cc1cncc(F)c1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737807582 945129360 /nfs/dbraw/zinc/12/93/60/945129360.db2.gz PPGSGBAKAQLNOI-BHQIHCQQSA-N -1 3 383.343 0.640 20 50 GCGDHM O=C(C[C@@H]1Oc2ccccc2NC1=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737820932 945130659 /nfs/dbraw/zinc/13/06/59/945130659.db2.gz SSLCUYOENLMSNT-AWEZNQCLSA-N -1 3 393.363 0.418 20 50 GCGDHM O=C(C[C@@H]1Oc2ccccc2NC1=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737820932 945130662 /nfs/dbraw/zinc/13/06/62/945130662.db2.gz SSLCUYOENLMSNT-AWEZNQCLSA-N -1 3 393.363 0.418 20 50 GCGDHM O=C(CCC1CCCC1)NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737822076 945131393 /nfs/dbraw/zinc/13/13/93/945131393.db2.gz BSOBHXFZAJVUQH-UHFFFAOYSA-N -1 3 385.428 0.714 20 50 GCGDHM O=C(CCC1CCCC1)NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737822076 945131399 /nfs/dbraw/zinc/13/13/99/945131399.db2.gz BSOBHXFZAJVUQH-UHFFFAOYSA-N -1 3 385.428 0.714 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=S)NCCc1ccccn1 ZINC000737918814 945151619 /nfs/dbraw/zinc/15/16/19/945151619.db2.gz MNJFOMSKXXQXKH-UHFFFAOYSA-N -1 3 398.452 0.379 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCCOc1cccnc1 ZINC000737918463 945152321 /nfs/dbraw/zinc/15/23/21/945152321.db2.gz FYVVJHXZFMWHCX-UHFFFAOYSA-N -1 3 398.383 0.050 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCC1CCSCC1 ZINC000737919203 945153771 /nfs/dbraw/zinc/15/37/71/945153771.db2.gz PZKVHBFDYIMHTJ-UHFFFAOYSA-N -1 3 391.457 0.719 20 50 GCGDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1cccnc1 ZINC000737931129 945158528 /nfs/dbraw/zinc/15/85/28/945158528.db2.gz FMBWPKQBWQCVNI-UHFFFAOYSA-N -1 3 383.437 0.885 20 50 GCGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cccnc1 ZINC000737931129 945158533 /nfs/dbraw/zinc/15/85/33/945158533.db2.gz FMBWPKQBWQCVNI-UHFFFAOYSA-N -1 3 383.437 0.885 20 50 GCGDHM O=C(Cc1ccc(F)cc1)NNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737959797 945167001 /nfs/dbraw/zinc/16/70/01/945167001.db2.gz PLZGZYCOTWMPCQ-UHFFFAOYSA-N -1 3 398.358 0.224 20 50 GCGDHM O=C(NC[C@H](O)c1ccccc1F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738036354 945173681 /nfs/dbraw/zinc/17/36/81/945173681.db2.gz AQZHTABEQWPESV-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NC[C@H](O)c1ccccc1F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738036354 945173683 /nfs/dbraw/zinc/17/36/83/945173683.db2.gz AQZHTABEQWPESV-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NCCc1cn2c(n1)CCCC2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738087936 945184961 /nfs/dbraw/zinc/18/49/61/945184961.db2.gz MMUUPZSREUYREB-UHFFFAOYSA-N -1 3 395.427 0.586 20 50 GCGDHM O=C(NCCc1cn2c(n1)CCCC2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738087936 945184969 /nfs/dbraw/zinc/18/49/69/945184969.db2.gz MMUUPZSREUYREB-UHFFFAOYSA-N -1 3 395.427 0.586 20 50 GCGDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000738100746 945188451 /nfs/dbraw/zinc/18/84/51/945188451.db2.gz SHEBWNYDJGRWKK-OAHLLOKOSA-N -1 3 397.370 0.840 20 50 GCGDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000738100746 945188456 /nfs/dbraw/zinc/18/84/56/945188456.db2.gz SHEBWNYDJGRWKK-OAHLLOKOSA-N -1 3 397.370 0.840 20 50 GCGDHM O=C(NCc1ccc2c(c1)CCO2)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738111088 945192263 /nfs/dbraw/zinc/19/22/63/945192263.db2.gz GSADFIXIHJLNCC-UHFFFAOYSA-N -1 3 379.380 0.946 20 50 GCGDHM O=C(NCc1ccc2c(c1)CCO2)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738111088 945192268 /nfs/dbraw/zinc/19/22/68/945192268.db2.gz GSADFIXIHJLNCC-UHFFFAOYSA-N -1 3 379.380 0.946 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129396 945201302 /nfs/dbraw/zinc/20/13/02/945201302.db2.gz ARRZUEMYOXYMEM-CYBMUJFWSA-N -1 3 395.379 0.269 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129396 945201310 /nfs/dbraw/zinc/20/13/10/945201310.db2.gz ARRZUEMYOXYMEM-CYBMUJFWSA-N -1 3 395.379 0.269 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738130626 945211010 /nfs/dbraw/zinc/21/10/10/945211010.db2.gz UBNJSQFFLNSVSC-UWVGGRQHSA-N -1 3 397.317 0.085 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738130626 945211016 /nfs/dbraw/zinc/21/10/16/945211016.db2.gz UBNJSQFFLNSVSC-UWVGGRQHSA-N -1 3 397.317 0.085 20 50 GCGDHM O=C(NNC(=O)C1CCC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738130883 945212355 /nfs/dbraw/zinc/21/23/55/945212355.db2.gz YESSINNBRYYMEJ-UHFFFAOYSA-N -1 3 385.432 0.361 20 50 GCGDHM O=C(NNC(=O)C1CCC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738130883 945212360 /nfs/dbraw/zinc/21/23/60/945212360.db2.gz YESSINNBRYYMEJ-UHFFFAOYSA-N -1 3 385.432 0.361 20 50 GCGDHM O=C(NNC(=O)c1ccnc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738134826 945222576 /nfs/dbraw/zinc/22/25/76/945222576.db2.gz UPTMSIOCCIIGBG-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1ccnc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738134826 945222578 /nfs/dbraw/zinc/22/25/78/945222578.db2.gz UPTMSIOCCIIGBG-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)nc1 ZINC000738134932 945225114 /nfs/dbraw/zinc/22/51/14/945225114.db2.gz ZLGFVMPBYDWUJD-UHFFFAOYSA-N -1 3 394.395 0.173 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)nc1 ZINC000738134932 945225124 /nfs/dbraw/zinc/22/51/24/945225124.db2.gz ZLGFVMPBYDWUJD-UHFFFAOYSA-N -1 3 394.395 0.173 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000738136990 945239821 /nfs/dbraw/zinc/23/98/21/945239821.db2.gz KNECJHTUVONVKJ-JTQLQIEISA-N -1 3 384.322 0.656 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000738136990 945239829 /nfs/dbraw/zinc/23/98/29/945239829.db2.gz KNECJHTUVONVKJ-JTQLQIEISA-N -1 3 384.322 0.656 20 50 GCGDHM C=CCCO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819740133 945277713 /nfs/dbraw/zinc/27/77/13/945277713.db2.gz QNGLCBDZOLEBKT-NSHDSACASA-N -1 3 388.384 0.152 20 50 GCGDHM C=CCCO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819740133 945277720 /nfs/dbraw/zinc/27/77/20/945277720.db2.gz QNGLCBDZOLEBKT-NSHDSACASA-N -1 3 388.384 0.152 20 50 GCGDHM C=CCn1c(C)nnc1SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819758963 945282975 /nfs/dbraw/zinc/28/29/75/945282975.db2.gz KDDQDLQTVMJRHL-UHFFFAOYSA-N -1 3 399.440 0.506 20 50 GCGDHM C=CCn1c(C)nnc1SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819758963 945282984 /nfs/dbraw/zinc/28/29/84/945282984.db2.gz KDDQDLQTVMJRHL-UHFFFAOYSA-N -1 3 399.440 0.506 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000819899104 945310619 /nfs/dbraw/zinc/31/06/19/945310619.db2.gz NNGVTRJELBKTGA-UHFFFAOYSA-N -1 3 386.460 0.182 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000819899104 945310634 /nfs/dbraw/zinc/31/06/34/945310634.db2.gz NNGVTRJELBKTGA-UHFFFAOYSA-N -1 3 386.460 0.182 20 50 GCGDHM CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819933418 945316047 /nfs/dbraw/zinc/31/60/47/945316047.db2.gz RAFDPGBRNSBCDN-UHFFFAOYSA-N -1 3 387.400 0.685 20 50 GCGDHM CC(C)(C)OC(=O)NC1(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819933418 945316056 /nfs/dbraw/zinc/31/60/56/945316056.db2.gz RAFDPGBRNSBCDN-UHFFFAOYSA-N -1 3 387.400 0.685 20 50 GCGDHM CC(C)(C)SCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819950718 945317776 /nfs/dbraw/zinc/31/77/76/945317776.db2.gz MAIXBEMAOPBXOT-UHFFFAOYSA-N -1 3 392.441 0.703 20 50 GCGDHM CC(C)(C)SCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819950718 945317783 /nfs/dbraw/zinc/31/77/83/945317783.db2.gz MAIXBEMAOPBXOT-UHFFFAOYSA-N -1 3 392.441 0.703 20 50 GCGDHM CC(C)(CO)CCCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000819983693 945321404 /nfs/dbraw/zinc/32/14/04/945321404.db2.gz BKRLNTZMDMOUOS-UHFFFAOYSA-N -1 3 391.432 0.375 20 50 GCGDHM CC(C)(CO)CCCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000819983693 945321414 /nfs/dbraw/zinc/32/14/14/945321414.db2.gz BKRLNTZMDMOUOS-UHFFFAOYSA-N -1 3 391.432 0.375 20 50 GCGDHM CC(C)OC1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820142756 945364179 /nfs/dbraw/zinc/36/41/79/945364179.db2.gz VFGWWPCUWGRMBB-UHFFFAOYSA-N -1 3 387.444 0.517 20 50 GCGDHM CC(C)OC1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820142756 945364186 /nfs/dbraw/zinc/36/41/86/945364186.db2.gz VFGWWPCUWGRMBB-UHFFFAOYSA-N -1 3 387.444 0.517 20 50 GCGDHM CC(=NNC(=O)C(=O)NC1CC1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735449422 944659226 /nfs/dbraw/zinc/65/92/26/944659226.db2.gz XSWBLYNWWPBSFS-UHFFFAOYSA-N -1 3 393.411 0.480 20 50 GCGDHM CC(=O)N1CCC(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000735461867 944660885 /nfs/dbraw/zinc/66/08/85/944660885.db2.gz SMGKCOVMNYCWEY-LZYBPNLTSA-N -1 3 396.455 0.795 20 50 GCGDHM CC(=O)N1CCC(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000735461867 944660891 /nfs/dbraw/zinc/66/08/91/944660891.db2.gz SMGKCOVMNYCWEY-LZYBPNLTSA-N -1 3 396.455 0.795 20 50 GCGDHM CC(=O)Nc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735484135 944665832 /nfs/dbraw/zinc/66/58/32/944665832.db2.gz IQSOEZYCFRUGSE-UHFFFAOYSA-N -1 3 394.395 0.969 20 50 GCGDHM CC(=O)Nc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735484135 944665837 /nfs/dbraw/zinc/66/58/37/944665837.db2.gz IQSOEZYCFRUGSE-UHFFFAOYSA-N -1 3 394.395 0.969 20 50 GCGDHM CC(=O)c1cccc(OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735498250 944667362 /nfs/dbraw/zinc/66/73/62/944667362.db2.gz HGACXUHXDGIRAI-UHFFFAOYSA-N -1 3 380.364 0.909 20 50 GCGDHM CC(=O)c1cccc(OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735498250 944667370 /nfs/dbraw/zinc/66/73/70/944667370.db2.gz HGACXUHXDGIRAI-UHFFFAOYSA-N -1 3 380.364 0.909 20 50 GCGDHM CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735635495 944681995 /nfs/dbraw/zinc/68/19/95/944681995.db2.gz DVZMSEFEOGNOQA-UHFFFAOYSA-N -1 3 389.416 0.933 20 50 GCGDHM CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735635495 944682001 /nfs/dbraw/zinc/68/20/01/944682001.db2.gz DVZMSEFEOGNOQA-UHFFFAOYSA-N -1 3 389.416 0.933 20 50 GCGDHM CC(C)NC(=O)C(=O)NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735882738 944708423 /nfs/dbraw/zinc/70/84/23/944708423.db2.gz SKDIZTZDWOFOQB-UHFFFAOYSA-N -1 3 382.837 0.362 20 50 GCGDHM CC(C)NC(=O)C(=O)NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735882738 944708429 /nfs/dbraw/zinc/70/84/29/944708429.db2.gz SKDIZTZDWOFOQB-UHFFFAOYSA-N -1 3 382.837 0.362 20 50 GCGDHM C[C@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)NC(=O)c1ccccc1 ZINC000735976225 944729525 /nfs/dbraw/zinc/72/95/25/944729525.db2.gz PDRQRCRDLXRHOQ-GFCCVEGCSA-N -1 3 393.407 0.836 20 50 GCGDHM C[C@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)NC(=O)c1ccccc1 ZINC000735976225 944729531 /nfs/dbraw/zinc/72/95/31/944729531.db2.gz PDRQRCRDLXRHOQ-GFCCVEGCSA-N -1 3 393.407 0.836 20 50 GCGDHM C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736118719 944742313 /nfs/dbraw/zinc/74/23/13/944742313.db2.gz VOYLGTNMVDNPHJ-SECBINFHSA-N -1 3 375.389 0.541 20 50 GCGDHM C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736118719 944742319 /nfs/dbraw/zinc/74/23/19/944742319.db2.gz VOYLGTNMVDNPHJ-SECBINFHSA-N -1 3 375.389 0.541 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736140946 944749004 /nfs/dbraw/zinc/74/90/04/944749004.db2.gz FLMVISZXVHYBIX-GOSISDBHSA-N -1 3 381.396 0.718 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736140946 944749013 /nfs/dbraw/zinc/74/90/13/944749013.db2.gz FLMVISZXVHYBIX-GOSISDBHSA-N -1 3 381.396 0.718 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC000736140754 944750081 /nfs/dbraw/zinc/75/00/81/944750081.db2.gz BCUPCKKXWPKQEV-INIZCTEOSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000736140754 944750097 /nfs/dbraw/zinc/75/00/97/944750097.db2.gz BCUPCKKXWPKQEV-INIZCTEOSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1ccccc1O ZINC000736167619 944750938 /nfs/dbraw/zinc/75/09/38/944750938.db2.gz FQEXICWECAAZFY-LLVKDONJSA-N -1 3 382.380 0.730 20 50 GCGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736179117 944753561 /nfs/dbraw/zinc/75/35/61/944753561.db2.gz ZBEWBYBRNOIVHZ-ZUZCIYMTSA-N -1 3 399.386 0.621 20 50 GCGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736179117 944753569 /nfs/dbraw/zinc/75/35/69/944753569.db2.gz ZBEWBYBRNOIVHZ-ZUZCIYMTSA-N -1 3 399.386 0.621 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)c1cccc(C#N)c1 ZINC000736184946 944755851 /nfs/dbraw/zinc/75/58/51/944755851.db2.gz PZMMNKRFTWIXOC-LLVKDONJSA-N -1 3 377.364 0.967 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)c1cccc(C#N)c1 ZINC000736184946 944755858 /nfs/dbraw/zinc/75/58/58/944755858.db2.gz PZMMNKRFTWIXOC-LLVKDONJSA-N -1 3 377.364 0.967 20 50 GCGDHM C[C@]1(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC000736216462 944765623 /nfs/dbraw/zinc/76/56/23/944765623.db2.gz IZEZAUAUHOWORI-MRXNPFEDSA-N -1 3 375.389 0.003 20 50 GCGDHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736222861 944768212 /nfs/dbraw/zinc/76/82/12/944768212.db2.gz GPRSPHPHEJQEHW-KXCXCYQVSA-N -1 3 377.430 0.062 20 50 GCGDHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736222861 944768215 /nfs/dbraw/zinc/76/82/15/944768215.db2.gz GPRSPHPHEJQEHW-KXCXCYQVSA-N -1 3 377.430 0.062 20 50 GCGDHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736223656 944768249 /nfs/dbraw/zinc/76/82/49/944768249.db2.gz JOIUFDHIZZXQTA-PMQYHDKYSA-N -1 3 377.430 0.062 20 50 GCGDHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736223656 944768251 /nfs/dbraw/zinc/76/82/51/944768251.db2.gz JOIUFDHIZZXQTA-PMQYHDKYSA-N -1 3 377.430 0.062 20 50 GCGDHM CCC(CC)N1C[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736345934 944803882 /nfs/dbraw/zinc/80/38/82/944803882.db2.gz OYIKRFVUSFKRGM-CYBMUJFWSA-N -1 3 385.428 0.665 20 50 GCGDHM CCC(CC)N1C[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736345934 944803889 /nfs/dbraw/zinc/80/38/89/944803889.db2.gz OYIKRFVUSFKRGM-CYBMUJFWSA-N -1 3 385.428 0.665 20 50 GCGDHM CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736411981 944815261 /nfs/dbraw/zinc/81/52/61/944815261.db2.gz NGOLNZQWLGFOQE-GFCCVEGCSA-N -1 3 389.441 0.329 20 50 GCGDHM CCCC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736411981 944815268 /nfs/dbraw/zinc/81/52/68/944815268.db2.gz NGOLNZQWLGFOQE-GFCCVEGCSA-N -1 3 389.441 0.329 20 50 GCGDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(S[C@@H](C)C(=O)NNC(=O)CC)n1 ZINC000736602736 944854049 /nfs/dbraw/zinc/85/40/49/944854049.db2.gz MFLLJEAUDKZGBI-QMMMGPOBSA-N -1 3 393.429 0.476 20 50 GCGDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(S[C@@H](C)C(=O)NNC(=O)CC)n1 ZINC000736602736 944854054 /nfs/dbraw/zinc/85/40/54/944854054.db2.gz MFLLJEAUDKZGBI-QMMMGPOBSA-N -1 3 393.429 0.476 20 50 GCGDHM CCn1cc(NC(=S)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736722866 944879074 /nfs/dbraw/zinc/87/90/74/944879074.db2.gz PLCHEJXERGCJPM-UHFFFAOYSA-N -1 3 387.429 0.480 20 50 GCGDHM CCn1cc(NC(=S)NNC(=O)COc2ccccc2-c2nnn[n-]2)cn1 ZINC000736723649 944879361 /nfs/dbraw/zinc/87/93/61/944879361.db2.gz WYBVFLKILQWDIN-UHFFFAOYSA-N -1 3 387.429 0.480 20 50 GCGDHM CCn1cc(NC(=S)NNC(=O)COc2ccccc2-c2nn[n-]n2)cn1 ZINC000736723649 944879368 /nfs/dbraw/zinc/87/93/68/944879368.db2.gz WYBVFLKILQWDIN-UHFFFAOYSA-N -1 3 387.429 0.480 20 50 GCGDHM CN(C)CC(=O)NNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736762544 944885138 /nfs/dbraw/zinc/88/51/38/944885138.db2.gz ITMUVASHUZZLLG-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM CN(C)CC(=O)NNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000736762544 944885145 /nfs/dbraw/zinc/88/51/45/944885145.db2.gz ITMUVASHUZZLLG-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM CN(C)CC(=O)NNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736765431 944885295 /nfs/dbraw/zinc/88/52/95/944885295.db2.gz WQKOBIDHJWZGKM-UHFFFAOYSA-N -1 3 382.384 0.377 20 50 GCGDHM CN(C)CC(=O)NNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736765431 944885300 /nfs/dbraw/zinc/88/53/00/944885300.db2.gz WQKOBIDHJWZGKM-UHFFFAOYSA-N -1 3 382.384 0.377 20 50 GCGDHM CN(C)c1cccc(C(=O)NN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736779578 944888103 /nfs/dbraw/zinc/88/81/03/944888103.db2.gz KBQJHCOQPWEGFA-HNNXBMFYSA-N -1 3 380.412 0.394 20 50 GCGDHM CN(C)c1cccc(C(=O)NN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736779578 944888120 /nfs/dbraw/zinc/88/81/20/944888120.db2.gz KBQJHCOQPWEGFA-HNNXBMFYSA-N -1 3 380.412 0.394 20 50 GCGDHM CNC(=O)[C@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736872043 944903613 /nfs/dbraw/zinc/90/36/13/944903613.db2.gz WAHMKUAPWXMYQP-FUEWVNAISA-N -1 3 382.428 0.405 20 50 GCGDHM CNC(=O)[C@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736872043 944903625 /nfs/dbraw/zinc/90/36/25/944903625.db2.gz WAHMKUAPWXMYQP-FUEWVNAISA-N -1 3 382.428 0.405 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895743 944905351 /nfs/dbraw/zinc/90/53/51/944905351.db2.gz GHVYQKIHTSXDCN-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895743 944905357 /nfs/dbraw/zinc/90/53/57/944905357.db2.gz GHVYQKIHTSXDCN-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736912135 944911415 /nfs/dbraw/zinc/91/14/15/944911415.db2.gz ZBIYOUWIHPSOCM-OBTCNRAFSA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)[C@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736912135 944911421 /nfs/dbraw/zinc/91/14/21/944911421.db2.gz ZBIYOUWIHPSOCM-OBTCNRAFSA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)N1CCC(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736932341 944912680 /nfs/dbraw/zinc/91/26/80/944912680.db2.gz KPASAVNCBUFDTA-UHFFFAOYSA-N -1 3 388.388 0.042 20 50 GCGDHM COC(=O)N1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736932341 944912687 /nfs/dbraw/zinc/91/26/87/944912687.db2.gz KPASAVNCBUFDTA-UHFFFAOYSA-N -1 3 388.388 0.042 20 50 GCGDHM COC(=O)COc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736931715 944912776 /nfs/dbraw/zinc/91/27/76/944912776.db2.gz TXHIDIVIDSJFCZ-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COC(=O)COc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736931715 944912783 /nfs/dbraw/zinc/91/27/83/944912783.db2.gz TXHIDIVIDSJFCZ-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COC(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736947409 944917273 /nfs/dbraw/zinc/91/72/73/944917273.db2.gz JTJMKDWETLWLKH-UHFFFAOYSA-N -1 3 385.340 0.391 20 50 GCGDHM COC(=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736947409 944917274 /nfs/dbraw/zinc/91/72/74/944917274.db2.gz JTJMKDWETLWLKH-UHFFFAOYSA-N -1 3 385.340 0.391 20 50 GCGDHM COCCN1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C[C@H]1C ZINC000737002462 944929777 /nfs/dbraw/zinc/92/97/77/944929777.db2.gz BJZFPIITAQPBRE-BPKVKKHESA-N -1 3 398.471 0.600 20 50 GCGDHM COc1ccc(C=O)c(OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737083268 944955339 /nfs/dbraw/zinc/95/53/39/944955339.db2.gz NRLHWBPYUCWAKQ-UHFFFAOYSA-N -1 3 396.363 0.528 20 50 GCGDHM COc1ccc(C=O)c(OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737083268 944955352 /nfs/dbraw/zinc/95/53/52/944955352.db2.gz NRLHWBPYUCWAKQ-UHFFFAOYSA-N -1 3 396.363 0.528 20 50 GCGDHM COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737101344 944959450 /nfs/dbraw/zinc/95/94/50/944959450.db2.gz DHUJXUNXBJGIIX-UHFFFAOYSA-N -1 3 381.352 0.275 20 50 GCGDHM COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737101344 944959456 /nfs/dbraw/zinc/95/94/56/944959456.db2.gz DHUJXUNXBJGIIX-UHFFFAOYSA-N -1 3 381.352 0.275 20 50 GCGDHM COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CO2 ZINC000737117181 944961745 /nfs/dbraw/zinc/96/17/45/944961745.db2.gz XRKJTXWDYDDCPP-AWEZNQCLSA-N -1 3 394.391 0.888 20 50 GCGDHM COc1ccc2c(c1)C[C@H](C(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CO2 ZINC000737117181 944961750 /nfs/dbraw/zinc/96/17/50/944961750.db2.gz XRKJTXWDYDDCPP-AWEZNQCLSA-N -1 3 394.391 0.888 20 50 GCGDHM COc1cccc([C@@H](O)CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737129070 944963975 /nfs/dbraw/zinc/96/39/75/944963975.db2.gz QEFIKQNBVXYOLV-HNNXBMFYSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1cccc([C@@H](O)CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737129070 944963982 /nfs/dbraw/zinc/96/39/82/944963982.db2.gz QEFIKQNBVXYOLV-HNNXBMFYSA-N -1 3 397.395 0.553 20 50 GCGDHM CSC[C@@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737178652 944976600 /nfs/dbraw/zinc/97/66/00/944976600.db2.gz BQMCMGMKGIXVGR-QUVLDCBQSA-N -1 3 375.458 0.651 20 50 GCGDHM CSC[C@@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737178652 944976603 /nfs/dbraw/zinc/97/66/03/944976603.db2.gz BQMCMGMKGIXVGR-QUVLDCBQSA-N -1 3 375.458 0.651 20 50 GCGDHM CSCCCCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737183147 944979432 /nfs/dbraw/zinc/97/94/32/944979432.db2.gz VASQLNAAYHUXOA-UHFFFAOYSA-N -1 3 379.446 0.719 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCc2cc(=O)c(O)co2)cc(-c2nn[n-]n2)n1C ZINC000737211521 944984258 /nfs/dbraw/zinc/98/42/58/944984258.db2.gz CEJTZAYJXMZPEK-QDEBKDIKSA-N -1 3 382.336 0.823 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](CCC(N)=O)C2)cc(-c2nnn[n-]2)n1C ZINC000737211752 944989446 /nfs/dbraw/zinc/98/94/46/944989446.db2.gz FNECSPIAKVYWDS-ATDKOCKZSA-N -1 3 396.455 0.925 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](CCC(N)=O)C2)cc(-c2nn[n-]n2)n1C ZINC000737211752 944989453 /nfs/dbraw/zinc/98/94/53/944989453.db2.gz FNECSPIAKVYWDS-ATDKOCKZSA-N -1 3 396.455 0.925 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nncn2C(C)C)cc(-c2nnn[n-]2)n1C ZINC000737212133 944991366 /nfs/dbraw/zinc/99/13/66/944991366.db2.gz HWBLJNZUXFBDNL-ACAGNQJTSA-N -1 3 380.416 0.909 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nncn2C(C)C)cc(-c2nn[n-]n2)n1C ZINC000737212133 944991369 /nfs/dbraw/zinc/99/13/69/944991369.db2.gz HWBLJNZUXFBDNL-ACAGNQJTSA-N -1 3 380.416 0.909 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)c2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000737212554 944995118 /nfs/dbraw/zinc/99/51/18/944995118.db2.gz KXPOBUOJVKRZDC-QCDXTXTGSA-N -1 3 380.368 0.580 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCC2N=NC(=S)N2C)cc(-c2nnn[n-]2)n1C ZINC000737212980 944995946 /nfs/dbraw/zinc/99/59/46/944995946.db2.gz OPMVMYOECGLOFP-IZZDOVSWSA-N -1 3 398.456 0.197 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCC2N=NC(=S)N2C)cc(-c2nn[n-]n2)n1C ZINC000737212980 944995951 /nfs/dbraw/zinc/99/59/51/944995951.db2.gz OPMVMYOECGLOFP-IZZDOVSWSA-N -1 3 398.456 0.197 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc(-c2nnn[n-]2)n1C ZINC000737213004 944998318 /nfs/dbraw/zinc/99/83/18/944998318.db2.gz OWODKTXQKMULLS-POJJKDNCSA-N -1 3 382.428 0.581 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc(-c2nn[n-]n2)n1C ZINC000737213004 944998321 /nfs/dbraw/zinc/99/83/21/944998321.db2.gz OWODKTXQKMULLS-POJJKDNCSA-N -1 3 382.428 0.581 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCc3ncnn3C2)cc(-c2nnn[n-]2)n1C ZINC000737212993 944998450 /nfs/dbraw/zinc/99/84/50/944998450.db2.gz OTZIJEGIHVDUKB-XLVZXTRVSA-N -1 3 378.400 0.143 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCc3ncnn3C2)cc(-c2nn[n-]n2)n1C ZINC000737212993 944998458 /nfs/dbraw/zinc/99/84/58/944998458.db2.gz OTZIJEGIHVDUKB-XLVZXTRVSA-N -1 3 378.400 0.143 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1-n1cncn1 ZINC000737236107 945014716 /nfs/dbraw/zinc/01/47/16/945014716.db2.gz ASXMNULPBCRHFG-UHFFFAOYSA-N -1 3 389.379 0.831 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1-n1cncn1 ZINC000737236107 945014727 /nfs/dbraw/zinc/01/47/27/945014727.db2.gz ASXMNULPBCRHFG-UHFFFAOYSA-N -1 3 389.379 0.831 20 50 GCGDHM Cc1ccc([C@@H](O)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737318632 945036528 /nfs/dbraw/zinc/03/65/28/945036528.db2.gz DBJUMODBTUUTKY-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccc([C@@H](O)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737318632 945036539 /nfs/dbraw/zinc/03/65/39/945036539.db2.gz DBJUMODBTUUTKY-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccc([C@H](O)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737318640 945037419 /nfs/dbraw/zinc/03/74/19/945037419.db2.gz DBJUMODBTUUTKY-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccc([C@H](O)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737318640 945037427 /nfs/dbraw/zinc/03/74/27/945037427.db2.gz DBJUMODBTUUTKY-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1cccc(NC(=O)NCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737400623 945059864 /nfs/dbraw/zinc/05/98/64/945059864.db2.gz XMGDAOKFZXBDBE-UHFFFAOYSA-N -1 3 394.395 0.758 20 50 GCGDHM Cc1cccc(NC(=O)NCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737400623 945059874 /nfs/dbraw/zinc/05/98/74/945059874.db2.gz XMGDAOKFZXBDBE-UHFFFAOYSA-N -1 3 394.395 0.758 20 50 GCGDHM CC(C)c1ocnc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820211408 945383185 /nfs/dbraw/zinc/38/31/85/945383185.db2.gz LVXACAZRPABPMM-UHFFFAOYSA-N -1 3 399.367 0.596 20 50 GCGDHM CC(C)c1ocnc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820211408 945383194 /nfs/dbraw/zinc/38/31/94/945383194.db2.gz LVXACAZRPABPMM-UHFFFAOYSA-N -1 3 399.367 0.596 20 50 GCGDHM C[C@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820286404 945403779 /nfs/dbraw/zinc/40/37/79/945403779.db2.gz AYAFTUQTIXVWSZ-MFKMUULPSA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820286404 945403787 /nfs/dbraw/zinc/40/37/87/945403787.db2.gz AYAFTUQTIXVWSZ-MFKMUULPSA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820286406 945404679 /nfs/dbraw/zinc/40/46/79/945404679.db2.gz AYAFTUQTIXVWSZ-ZWNOBZJWSA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820286406 945404682 /nfs/dbraw/zinc/40/46/82/945404682.db2.gz AYAFTUQTIXVWSZ-ZWNOBZJWSA-N -1 3 375.389 0.005 20 50 GCGDHM CC(F)(F)CCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820307349 945411203 /nfs/dbraw/zinc/41/12/03/945411203.db2.gz LQTYTTXNKZBSPQ-UHFFFAOYSA-N -1 3 382.327 0.606 20 50 GCGDHM CC(F)(F)CCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820307349 945411206 /nfs/dbraw/zinc/41/12/06/945411206.db2.gz LQTYTTXNKZBSPQ-UHFFFAOYSA-N -1 3 382.327 0.606 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCOC1 ZINC000820372833 945434707 /nfs/dbraw/zinc/43/47/07/945434707.db2.gz BZHGMCXLFCKINL-JQWIXIFHSA-N -1 3 375.389 0.001 20 50 GCGDHM C[C@@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374259 945437001 /nfs/dbraw/zinc/43/70/01/945437001.db2.gz NNVSZFQWQRRDHW-MEBBXXQBSA-N -1 3 379.446 0.309 20 50 GCGDHM C[C@@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374259 945437006 /nfs/dbraw/zinc/43/70/06/945437006.db2.gz NNVSZFQWQRRDHW-MEBBXXQBSA-N -1 3 379.446 0.309 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=S)N[C@H](C)C1CC1 ZINC000820541061 945479704 /nfs/dbraw/zinc/47/97/04/945479704.db2.gz AVYJKKXPKPAMBD-NXEZZACHSA-N -1 3 375.458 0.928 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=S)N[C@H](C)C1CC1 ZINC000820541061 945479709 /nfs/dbraw/zinc/47/97/09/945479709.db2.gz AVYJKKXPKPAMBD-NXEZZACHSA-N -1 3 375.458 0.928 20 50 GCGDHM C[C@H]1C[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820659137 945512940 /nfs/dbraw/zinc/51/29/40/945512940.db2.gz WRBAQYCXTPUWBV-HZMBPMFUSA-N -1 3 396.415 0.420 20 50 GCGDHM C[C@H]1C[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820659137 945512950 /nfs/dbraw/zinc/51/29/50/945512950.db2.gz WRBAQYCXTPUWBV-HZMBPMFUSA-N -1 3 396.415 0.420 20 50 GCGDHM C[C@@H]1CC/C(=C/C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820678878 945524779 /nfs/dbraw/zinc/52/47/79/945524779.db2.gz ZVUHFSAZMUXGSM-HQQGHWSLSA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@@H]1CC/C(=C/C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820678878 945524787 /nfs/dbraw/zinc/52/47/87/945524787.db2.gz ZVUHFSAZMUXGSM-HQQGHWSLSA-N -1 3 384.396 0.917 20 50 GCGDHM CC[C@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820971910 945601276 /nfs/dbraw/zinc/60/12/76/945601276.db2.gz HXNTYDLUJBQILK-QWHCGFSZSA-N -1 3 388.384 0.129 20 50 GCGDHM CC[C@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820971910 945601284 /nfs/dbraw/zinc/60/12/84/945601284.db2.gz HXNTYDLUJBQILK-QWHCGFSZSA-N -1 3 388.384 0.129 20 50 GCGDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NNC(=O)[C@@H]1COCCO1 ZINC000821104617 945635643 /nfs/dbraw/zinc/63/56/43/945635643.db2.gz KILSIXAUSTYNJM-AWEZNQCLSA-N -1 3 389.416 0.235 20 50 GCGDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@H]1COCCO1 ZINC000821104617 945635648 /nfs/dbraw/zinc/63/56/48/945635648.db2.gz KILSIXAUSTYNJM-AWEZNQCLSA-N -1 3 389.416 0.235 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccc(C#N)cc1 ZINC000821594052 945732531 /nfs/dbraw/zinc/73/25/31/945732531.db2.gz WROWEBXXTSHTSE-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(C#N)cc1 ZINC000821594052 945732541 /nfs/dbraw/zinc/73/25/41/945732541.db2.gz WROWEBXXTSHTSE-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM CN(CCOc1ccccc1)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821604876 945739964 /nfs/dbraw/zinc/73/99/64/945739964.db2.gz LKOONYWYVUPUJV-UHFFFAOYSA-N -1 3 395.423 0.639 20 50 GCGDHM CN(CCOc1ccccc1)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821604876 945739968 /nfs/dbraw/zinc/73/99/68/945739968.db2.gz LKOONYWYVUPUJV-UHFFFAOYSA-N -1 3 395.423 0.639 20 50 GCGDHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000821620772 945750208 /nfs/dbraw/zinc/75/02/08/945750208.db2.gz VAOYMIJMXAEQDP-PIGZYNQJSA-N -1 3 399.415 0.213 20 50 GCGDHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000821620772 945750211 /nfs/dbraw/zinc/75/02/11/945750211.db2.gz VAOYMIJMXAEQDP-PIGZYNQJSA-N -1 3 399.415 0.213 20 50 GCGDHM COC(=O)[C@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821645153 945770443 /nfs/dbraw/zinc/77/04/43/945770443.db2.gz SFMTZJFCWHZQII-MRXNPFEDSA-N -1 3 382.380 0.781 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)COc1ccccc1-c1nnn[n-]1)c1cccnc1 ZINC000821644863 945770741 /nfs/dbraw/zinc/77/07/41/945770741.db2.gz LIPFUZQRAPJKME-HNNXBMFYSA-N -1 3 383.368 0.176 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)COc1ccccc1-c1nn[n-]n1)c1cccnc1 ZINC000821644863 945770745 /nfs/dbraw/zinc/77/07/45/945770745.db2.gz LIPFUZQRAPJKME-HNNXBMFYSA-N -1 3 383.368 0.176 20 50 GCGDHM COC(=O)C[C@@H]1CCCN1C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821658666 945783287 /nfs/dbraw/zinc/78/32/87/945783287.db2.gz DSYLUHSSSSZFHH-LVOZBFFPSA-N -1 3 383.412 0.975 20 50 GCGDHM COC(=O)C[C@@H]1CCCN1C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821658666 945783292 /nfs/dbraw/zinc/78/32/92/945783292.db2.gz DSYLUHSSSSZFHH-LVOZBFFPSA-N -1 3 383.412 0.975 20 50 GCGDHM CO[C@@H](CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821676678 945796225 /nfs/dbraw/zinc/79/62/25/945796225.db2.gz DRSJMOYPOKWLJG-ZDUSSCGKSA-N -1 3 377.405 0.247 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821692287 945823074 /nfs/dbraw/zinc/82/30/74/945823074.db2.gz TUVCJPQLQRNLJB-SNVBAGLBSA-N -1 3 394.436 0.627 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821692287 945823081 /nfs/dbraw/zinc/82/30/81/945823081.db2.gz TUVCJPQLQRNLJB-SNVBAGLBSA-N -1 3 394.436 0.627 20 50 GCGDHM COCc1nc2n(n1)CCC[C@H]2NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000821696565 945830736 /nfs/dbraw/zinc/83/07/36/945830736.db2.gz IHHPQMLHIDAYDO-GFCCVEGCSA-N -1 3 384.404 0.766 20 50 GCGDHM COCc1nc2n(n1)CCC[C@H]2NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000821696565 945830749 /nfs/dbraw/zinc/83/07/49/945830749.db2.gz IHHPQMLHIDAYDO-GFCCVEGCSA-N -1 3 384.404 0.766 20 50 GCGDHM COc1cc2c(nn1)CCN(C(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC000821727348 945849196 /nfs/dbraw/zinc/84/91/96/945849196.db2.gz IDFUQUGVLUSNJU-UHFFFAOYSA-N -1 3 395.383 0.078 20 50 GCGDHM COc1cc2c(nn1)CCN(C(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC000821727348 945849211 /nfs/dbraw/zinc/84/92/11/945849211.db2.gz IDFUQUGVLUSNJU-UHFFFAOYSA-N -1 3 395.383 0.078 20 50 GCGDHM COc1cccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821869017 945892662 /nfs/dbraw/zinc/89/26/62/945892662.db2.gz YMMDFDKWCXYDNY-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM COc1cccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821869017 945892675 /nfs/dbraw/zinc/89/26/75/945892675.db2.gz YMMDFDKWCXYDNY-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM CS[C@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821950412 945909279 /nfs/dbraw/zinc/90/92/79/945909279.db2.gz MYRDRNVXBSYYAV-YPMHNXCESA-N -1 3 391.457 0.860 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(C(N)=O)nc2)cc(-c2nn[n-]n2)n1C ZINC000822028253 945941500 /nfs/dbraw/zinc/94/15/00/945941500.db2.gz MRKKSKMUPQHDAY-WLRTZDKTSA-N -1 3 391.395 0.231 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](C)[S@@](C)=O)cc(-c2nnn[n-]2)n1C ZINC000822028532 945943341 /nfs/dbraw/zinc/94/33/41/945943341.db2.gz PFYROEYWOWYOHC-AMVZETCRSA-N -1 3 375.458 0.694 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](C)[S@@](C)=O)cc(-c2nn[n-]n2)n1C ZINC000822028532 945943347 /nfs/dbraw/zinc/94/33/47/945943347.db2.gz PFYROEYWOWYOHC-AMVZETCRSA-N -1 3 375.458 0.694 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](C)[S@](C)=O)cc(-c2nnn[n-]2)n1C ZINC000822028534 945944629 /nfs/dbraw/zinc/94/46/29/945944629.db2.gz PFYROEYWOWYOHC-LUWDRTOXSA-N -1 3 375.458 0.694 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](C)[S@](C)=O)cc(-c2nn[n-]n2)n1C ZINC000822028534 945944637 /nfs/dbraw/zinc/94/46/37/945944637.db2.gz PFYROEYWOWYOHC-LUWDRTOXSA-N -1 3 375.458 0.694 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)CCS(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822028571 945946339 /nfs/dbraw/zinc/94/63/39/945946339.db2.gz QCZRNKUQLZGSDC-JLATVTFTSA-N -1 3 391.457 0.360 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)CCS(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822028571 945946347 /nfs/dbraw/zinc/94/63/47/945946347.db2.gz QCZRNKUQLZGSDC-JLATVTFTSA-N -1 3 391.457 0.360 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000822028830 945948726 /nfs/dbraw/zinc/94/87/26/945948726.db2.gz SKRWMZBCGGEPON-XMRSSTEGSA-N -1 3 396.455 0.936 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000822028830 945948730 /nfs/dbraw/zinc/94/87/30/945948730.db2.gz SKRWMZBCGGEPON-XMRSSTEGSA-N -1 3 396.455 0.936 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc(-c2nnn[n-]2)n1C ZINC000822028989 945949980 /nfs/dbraw/zinc/94/99/80/945949980.db2.gz UEUROFPRHHKBQU-PBTYMSFLSA-N -1 3 397.439 0.827 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1C ZINC000822028989 945949987 /nfs/dbraw/zinc/94/99/87/945949987.db2.gz UEUROFPRHHKBQU-PBTYMSFLSA-N -1 3 397.439 0.827 20 50 GCGDHM Cc1cc([C@](C)(O)CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000822192072 945974684 /nfs/dbraw/zinc/97/46/84/945974684.db2.gz YFHWNPNLKUOGFB-GOSISDBHSA-N -1 3 399.411 0.928 20 50 GCGDHM Cc1cc([C@](C)(O)CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000822192072 945974692 /nfs/dbraw/zinc/97/46/92/945974692.db2.gz YFHWNPNLKUOGFB-GOSISDBHSA-N -1 3 399.411 0.928 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000822227549 946008044 /nfs/dbraw/zinc/00/80/44/946008044.db2.gz MVFIUPDBBYJUJC-UHFFFAOYSA-N -1 3 395.379 0.497 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000822227549 946008051 /nfs/dbraw/zinc/00/80/51/946008051.db2.gz MVFIUPDBBYJUJC-UHFFFAOYSA-N -1 3 395.379 0.497 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000822284111 946041297 /nfs/dbraw/zinc/04/12/97/946041297.db2.gz KCVYRJCEZOQHFS-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822284111 946041310 /nfs/dbraw/zinc/04/13/10/946041310.db2.gz KCVYRJCEZOQHFS-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822284155 946043708 /nfs/dbraw/zinc/04/37/08/946043708.db2.gz KVHOJGYHZSCFIB-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822284155 946043721 /nfs/dbraw/zinc/04/37/21/946043721.db2.gz KVHOJGYHZSCFIB-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1cccc(CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822299820 946047615 /nfs/dbraw/zinc/04/76/15/946047615.db2.gz VXMZTHKJWOIAFQ-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1cccc(CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822299820 946047624 /nfs/dbraw/zinc/04/76/24/946047624.db2.gz VXMZTHKJWOIAFQ-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822356437 946067353 /nfs/dbraw/zinc/06/73/53/946067353.db2.gz SJLQOWAJTWFRGZ-UHFFFAOYSA-N -1 3 397.395 0.061 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822356437 946067361 /nfs/dbraw/zinc/06/73/61/946067361.db2.gz SJLQOWAJTWFRGZ-UHFFFAOYSA-N -1 3 397.395 0.061 20 50 GCGDHM Cc1ncsc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822482495 946103002 /nfs/dbraw/zinc/10/30/02/946103002.db2.gz SOTBPPUKZCNWFK-UHFFFAOYSA-N -1 3 387.381 0.250 20 50 GCGDHM Cc1ncsc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822482495 946103010 /nfs/dbraw/zinc/10/30/10/946103010.db2.gz SOTBPPUKZCNWFK-UHFFFAOYSA-N -1 3 387.381 0.250 20 50 GCGDHM Cc1noc(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822520064 946111554 /nfs/dbraw/zinc/11/15/54/946111554.db2.gz QUIVDPXGIPDZBC-UHFFFAOYSA-N -1 3 385.340 0.090 20 50 GCGDHM Cc1noc(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822520064 946111562 /nfs/dbraw/zinc/11/15/62/946111562.db2.gz QUIVDPXGIPDZBC-UHFFFAOYSA-N -1 3 385.340 0.090 20 50 GCGDHM Cn1cc([C@H]2CCCN2CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822674626 946155072 /nfs/dbraw/zinc/15/50/72/946155072.db2.gz YGWIIHZACXNJQC-OAHLLOKOSA-N -1 3 395.427 0.198 20 50 GCGDHM Cn1cc([C@H]2CCCN2CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822674626 946155081 /nfs/dbraw/zinc/15/50/81/946155081.db2.gz YGWIIHZACXNJQC-OAHLLOKOSA-N -1 3 395.427 0.198 20 50 GCGDHM Cn1ccc(N2CCC[C@H](NC(=O)NNc3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000822690185 946158297 /nfs/dbraw/zinc/15/82/97/946158297.db2.gz VCHSHVJRMKTKIU-ZDUSSCGKSA-N -1 3 396.415 0.422 20 50 GCGDHM Cn1ccc(N2CCC[C@H](NC(=O)NNc3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000822690185 946158303 /nfs/dbraw/zinc/15/83/03/946158303.db2.gz VCHSHVJRMKTKIU-ZDUSSCGKSA-N -1 3 396.415 0.422 20 50 GCGDHM Cn1nc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)s2)c2ccccc2c1=O ZINC000822704431 946161825 /nfs/dbraw/zinc/16/18/25/946161825.db2.gz KNOHTBGDBDDSFW-UHFFFAOYSA-N -1 3 380.393 0.939 20 50 GCGDHM N#Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822823372 946196097 /nfs/dbraw/zinc/19/60/97/946196097.db2.gz OUHSFSMCACMCJB-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM N#Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822823372 946196105 /nfs/dbraw/zinc/19/61/05/946196105.db2.gz OUHSFSMCACMCJB-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)CSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822823156 946196382 /nfs/dbraw/zinc/19/63/82/946196382.db2.gz LUHGVGTZTAELRI-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)CSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822823156 946196389 /nfs/dbraw/zinc/19/63/89/946196389.db2.gz LUHGVGTZTAELRI-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1ccc(OCC(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822833474 946199841 /nfs/dbraw/zinc/19/98/41/946199841.db2.gz QHVXJDRXRMSOBJ-UHFFFAOYSA-N -1 3 377.364 0.507 20 50 GCGDHM N#Cc1ccc(OCC(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822833474 946199846 /nfs/dbraw/zinc/19/98/46/946199846.db2.gz QHVXJDRXRMSOBJ-UHFFFAOYSA-N -1 3 377.364 0.507 20 50 GCGDHM O=C(CCCOc1cccnc1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822958808 946233925 /nfs/dbraw/zinc/23/39/25/946233925.db2.gz IFPASYXEYCTINR-UHFFFAOYSA-N -1 3 397.395 0.647 20 50 GCGDHM O=C(CN1CCC(C(F)(F)F)CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822992832 946250519 /nfs/dbraw/zinc/25/05/19/946250519.db2.gz NLTMBBYKCHJNIF-UHFFFAOYSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(CN1CCC(C(F)(F)F)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822992832 946250533 /nfs/dbraw/zinc/25/05/33/946250533.db2.gz NLTMBBYKCHJNIF-UHFFFAOYSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(CN1CCC(=O)NC1=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822993165 946252789 /nfs/dbraw/zinc/25/27/89/946252789.db2.gz PTRHNCLKWMVJLO-UHFFFAOYSA-N -1 3 398.305 0.271 20 50 GCGDHM O=C(CN1CCC(=O)NC1=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822993165 946252798 /nfs/dbraw/zinc/25/27/98/946252798.db2.gz PTRHNCLKWMVJLO-UHFFFAOYSA-N -1 3 398.305 0.271 20 50 GCGDHM O=C(CN1CCC[C@H](c2cc[nH]n2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822996542 946254736 /nfs/dbraw/zinc/25/47/36/946254736.db2.gz HHXXLTSMBQDERH-AWEZNQCLSA-N -1 3 395.427 0.230 20 50 GCGDHM O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822996782 946256675 /nfs/dbraw/zinc/25/66/75/946256675.db2.gz JCBFVXCIUGLASM-DNVCBOLYSA-N -1 3 399.455 0.255 20 50 GCGDHM O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822996784 946256886 /nfs/dbraw/zinc/25/68/86/946256886.db2.gz JCBFVXCIUGLASM-HNAYVOBHSA-N -1 3 399.455 0.255 20 50 GCGDHM O=C(CN1CCC[C@@H](C(F)(F)F)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822997968 946258745 /nfs/dbraw/zinc/25/87/45/946258745.db2.gz YCFSASMVBKYXNI-GFCCVEGCSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(CN1CCC[C@@H](C(F)(F)F)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822997968 946258754 /nfs/dbraw/zinc/25/87/54/946258754.db2.gz YCFSASMVBKYXNI-GFCCVEGCSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(C=Cc1ccccc1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823017696 946268892 /nfs/dbraw/zinc/26/88/92/946268892.db2.gz BZGUETUVXOMERD-IZZDOVSWSA-N -1 3 392.375 0.884 20 50 GCGDHM O=C(C=Cc1ccccc1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823017696 946268904 /nfs/dbraw/zinc/26/89/04/946268904.db2.gz BZGUETUVXOMERD-IZZDOVSWSA-N -1 3 392.375 0.884 20 50 GCGDHM O=C(C=Cc1ccsc1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018579 946273888 /nfs/dbraw/zinc/27/38/88/946273888.db2.gz SFFHQARZZPNSDP-PLNGDYQASA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(C=Cc1ccsc1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018579 946273900 /nfs/dbraw/zinc/27/39/00/946273900.db2.gz SFFHQARZZPNSDP-PLNGDYQASA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NNC(=O)c1cccc(Cl)c1 ZINC000823023226 946279331 /nfs/dbraw/zinc/27/93/31/946279331.db2.gz YBXNDWPNEGVJTK-UHFFFAOYSA-N -1 3 389.759 0.466 20 50 GCGDHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NNC(=O)c1cccc(Cl)c1 ZINC000823023226 946279343 /nfs/dbraw/zinc/27/93/43/946279343.db2.gz YBXNDWPNEGVJTK-UHFFFAOYSA-N -1 3 389.759 0.466 20 50 GCGDHM O=C(COC(=O)Cc1cccs1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823022504 946279802 /nfs/dbraw/zinc/27/98/02/946279802.db2.gz HZSICQNJIFIKGY-UHFFFAOYSA-N -1 3 386.393 0.475 20 50 GCGDHM O=C(COC(=O)Cc1cccs1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823022504 946279814 /nfs/dbraw/zinc/27/98/14/946279814.db2.gz HZSICQNJIFIKGY-UHFFFAOYSA-N -1 3 386.393 0.475 20 50 GCGDHM O=C(COC(=O)c1ccccc1O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027544 946284028 /nfs/dbraw/zinc/28/40/28/946284028.db2.gz WNEFRMNRAXUHPJ-UHFFFAOYSA-N -1 3 382.336 0.190 20 50 GCGDHM O=C(COC(=O)c1ccccc1O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027544 946284036 /nfs/dbraw/zinc/28/40/36/946284036.db2.gz WNEFRMNRAXUHPJ-UHFFFAOYSA-N -1 3 382.336 0.190 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1ccc2n[nH]cc2c1 ZINC000823036951 946287166 /nfs/dbraw/zinc/28/71/66/946287166.db2.gz NPOXQVVMISFVAS-UHFFFAOYSA-N -1 3 378.352 0.583 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1c[nH]c2ncccc12 ZINC000823037388 946288564 /nfs/dbraw/zinc/28/85/64/946288564.db2.gz WSJRYKXFWJZQIX-UHFFFAOYSA-N -1 3 392.379 0.512 20 50 GCGDHM O=C(C=C1CC(=O)NC(=O)N1)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823074371 946301980 /nfs/dbraw/zinc/30/19/80/946301980.db2.gz QGLVFTVZTLWUNH-UHFFFAOYSA-N -1 3 380.368 0.467 20 50 GCGDHM O=C(C=C1CC(=O)NC(=O)N1)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823074371 946301990 /nfs/dbraw/zinc/30/19/90/946301990.db2.gz QGLVFTVZTLWUNH-UHFFFAOYSA-N -1 3 380.368 0.467 20 50 GCGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000823103455 946308471 /nfs/dbraw/zinc/30/84/71/946308471.db2.gz GZKDRKGVNVMGJO-HNNXBMFYSA-N -1 3 380.364 0.397 20 50 GCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000823103455 946308483 /nfs/dbraw/zinc/30/84/83/946308483.db2.gz GZKDRKGVNVMGJO-HNNXBMFYSA-N -1 3 380.364 0.397 20 50 GCGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)Cn1cnc2ccccc21 ZINC000823103488 946310375 /nfs/dbraw/zinc/31/03/75/946310375.db2.gz HJEUKUOQGNCLSN-UHFFFAOYSA-N -1 3 376.380 0.607 20 50 GCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)Cn1cnc2ccccc21 ZINC000823103488 946310389 /nfs/dbraw/zinc/31/03/89/946310389.db2.gz HJEUKUOQGNCLSN-UHFFFAOYSA-N -1 3 376.380 0.607 20 50 GCGDHM O=C(Cn1c(=O)sc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823118752 946320577 /nfs/dbraw/zinc/32/05/77/946320577.db2.gz PGTZYCPSERQOHS-UHFFFAOYSA-N -1 3 395.404 0.704 20 50 GCGDHM O=C(Cn1c(=O)sc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823118752 946320587 /nfs/dbraw/zinc/32/05/87/946320587.db2.gz PGTZYCPSERQOHS-UHFFFAOYSA-N -1 3 395.404 0.704 20 50 GCGDHM O=C(Cn1cc(-c2ccccc2)nn1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823118651 946321917 /nfs/dbraw/zinc/32/19/17/946321917.db2.gz KEOKHJKKLCMJFM-UHFFFAOYSA-N -1 3 389.379 0.586 20 50 GCGDHM O=C(Cn1cc(-c2ccccc2)nn1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823118651 946321927 /nfs/dbraw/zinc/32/19/27/946321927.db2.gz KEOKHJKKLCMJFM-UHFFFAOYSA-N -1 3 389.379 0.586 20 50 GCGDHM O=C(Cn1ccc(=O)[nH]c1=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823123087 946324777 /nfs/dbraw/zinc/32/47/77/946324777.db2.gz NHWDGXMFJYZDFP-UHFFFAOYSA-N -1 3 396.289 0.291 20 50 GCGDHM O=C(Cn1ccc(=O)[nH]c1=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823123087 946324786 /nfs/dbraw/zinc/32/47/86/946324786.db2.gz NHWDGXMFJYZDFP-UHFFFAOYSA-N -1 3 396.289 0.291 20 50 GCGDHM O=C(NCc1ccn2ccnc2c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823261146 946359540 /nfs/dbraw/zinc/35/95/40/946359540.db2.gz CNUOUHHBKUCPOV-UHFFFAOYSA-N -1 3 377.368 0.659 20 50 GCGDHM O=C(NCc1ccn2ccnc2c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823261146 946359553 /nfs/dbraw/zinc/35/95/53/946359553.db2.gz CNUOUHHBKUCPOV-UHFFFAOYSA-N -1 3 377.368 0.659 20 50 GCGDHM O=C(NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000823270110 946368680 /nfs/dbraw/zinc/36/86/80/946368680.db2.gz YXYKBLWBJBAEMK-LBPRGKRZSA-N -1 3 389.441 0.393 20 50 GCGDHM O=C(NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000823270110 946368697 /nfs/dbraw/zinc/36/86/97/946368697.db2.gz YXYKBLWBJBAEMK-LBPRGKRZSA-N -1 3 389.441 0.393 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN1c1ncccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273123 946375402 /nfs/dbraw/zinc/37/54/02/946375402.db2.gz FERAPPQQGNQFGY-ZDUSSCGKSA-N -1 3 379.384 0.087 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN1c1ncccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273123 946375411 /nfs/dbraw/zinc/37/54/11/946375411.db2.gz FERAPPQQGNQFGY-ZDUSSCGKSA-N -1 3 379.384 0.087 20 50 GCGDHM O=C(NNC(=O)N1CCOC2(CCOCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277323 946400382 /nfs/dbraw/zinc/40/03/82/946400382.db2.gz KKDSLXOSSKDLEE-UHFFFAOYSA-N -1 3 387.400 0.103 20 50 GCGDHM O=C(NNC(=O)N1CCOC2(CCOCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277323 946400390 /nfs/dbraw/zinc/40/03/90/946400390.db2.gz KKDSLXOSSKDLEE-UHFFFAOYSA-N -1 3 387.400 0.103 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@H](c2ccco2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277854 946404493 /nfs/dbraw/zinc/40/44/93/946404493.db2.gz ZAQCRZUCAOLXCM-AWEZNQCLSA-N -1 3 383.368 0.888 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@H](c2ccco2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277854 946404498 /nfs/dbraw/zinc/40/44/98/946404498.db2.gz ZAQCRZUCAOLXCM-AWEZNQCLSA-N -1 3 383.368 0.888 20 50 GCGDHM CC(C)OCCCCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824315097 946653898 /nfs/dbraw/zinc/65/38/98/946653898.db2.gz KEYXKJYACYGYCX-UHFFFAOYSA-N -1 3 391.432 0.781 20 50 GCGDHM CC(C)OCCCCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824315097 946653902 /nfs/dbraw/zinc/65/39/02/946653902.db2.gz KEYXKJYACYGYCX-UHFFFAOYSA-N -1 3 391.432 0.781 20 50 GCGDHM CCc1cnccc1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825740405 947314658 /nfs/dbraw/zinc/31/46/58/947314658.db2.gz TXUNXEVASLHLGO-UHFFFAOYSA-N -1 3 396.411 0.734 20 50 GCGDHM COc1c2cnn(C)c2ncc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826166303 947523213 /nfs/dbraw/zinc/52/32/13/947523213.db2.gz DVYQIMUEQTYWEV-UHFFFAOYSA-N -1 3 393.367 0.232 20 50 GCGDHM CSC[C@@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826228325 947669456 /nfs/dbraw/zinc/66/94/56/947669456.db2.gz LORDMZKBLCPGAQ-XEVNVYFWSA-N -1 3 375.458 0.651 20 50 GCGDHM CSC[C@@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826228325 947669461 /nfs/dbraw/zinc/66/94/61/947669461.db2.gz LORDMZKBLCPGAQ-XEVNVYFWSA-N -1 3 375.458 0.651 20 50 GCGDHM Cc1cc(C(=O)NCC(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826259002 947746326 /nfs/dbraw/zinc/74/63/26/947746326.db2.gz DOLRRJJFLZFVGN-UHFFFAOYSA-N -1 3 396.367 0.956 20 50 GCGDHM Cc1cc(C(=O)NCC(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826259002 947746334 /nfs/dbraw/zinc/74/63/34/947746334.db2.gz DOLRRJJFLZFVGN-UHFFFAOYSA-N -1 3 396.367 0.956 20 50 GCGDHM Cc1onc(CC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826348308 948070236 /nfs/dbraw/zinc/07/02/36/948070236.db2.gz GNPDZNCDPMMJPC-UHFFFAOYSA-N -1 3 393.367 0.353 20 50 GCGDHM O=C(COC(=O)[C@H]1CCCCS1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415319 948255341 /nfs/dbraw/zinc/25/53/41/948255341.db2.gz AHNQZQDDRVRPHW-GFCCVEGCSA-N -1 3 390.425 0.457 20 50 GCGDHM O=C(COC(=O)[C@H]1CCCCS1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415319 948255352 /nfs/dbraw/zinc/25/53/52/948255352.db2.gz AHNQZQDDRVRPHW-GFCCVEGCSA-N -1 3 390.425 0.457 20 50 GCGDHM O=C(COC(=O)c1cccc(F)n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826416013 948256729 /nfs/dbraw/zinc/25/67/29/948256729.db2.gz DKHYYYJLUTUYIS-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COC(=O)c1cccc(F)n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826416013 948256737 /nfs/dbraw/zinc/25/67/37/948256737.db2.gz DKHYYYJLUTUYIS-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(NC[C@@H]1CCCn2ccnc21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435143 948288747 /nfs/dbraw/zinc/28/87/47/948288747.db2.gz HPKIFKSFVMWLPJ-ZDUSSCGKSA-N -1 3 381.400 0.585 20 50 GCGDHM O=C(NC[C@@H]1CCCn2ccnc21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435143 948288757 /nfs/dbraw/zinc/28/87/57/948288757.db2.gz HPKIFKSFVMWLPJ-ZDUSSCGKSA-N -1 3 381.400 0.585 20 50 GCGDHM O=C(NNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)[C@@H]1COCCO1 ZINC000826444930 948308790 /nfs/dbraw/zinc/30/87/90/948308790.db2.gz ZNGUYRLCPTWILZ-HNNXBMFYSA-N -1 3 399.411 0.112 20 50 GCGDHM O=C(NNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)[C@@H]1COCCO1 ZINC000826444930 948308800 /nfs/dbraw/zinc/30/88/00/948308800.db2.gz ZNGUYRLCPTWILZ-HNNXBMFYSA-N -1 3 399.411 0.112 20 50 GCGDHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001576218964 950797722 /nfs/dbraw/zinc/79/77/22/950797722.db2.gz SAQKQADOVOPDOZ-MGPLVRAMSA-N -1 3 396.411 0.482 20 50 GCGDHM COc1ccc(S(N)(=O)=O)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826211607 607335332 /nfs/dbraw/zinc/33/53/32/607335332.db2.gz MOXVCTHIJSRWSN-UHFFFAOYSA-N -1 3 389.397 0.280 20 50 GCGDHM COc1ccc(S(N)(=O)=O)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826211607 607335335 /nfs/dbraw/zinc/33/53/35/607335335.db2.gz MOXVCTHIJSRWSN-UHFFFAOYSA-N -1 3 389.397 0.280 20 50 GCGDHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826342720 607338139 /nfs/dbraw/zinc/33/81/39/607338139.db2.gz XBMNCMTWSAEISQ-UHFFFAOYSA-N -1 3 391.413 0.775 20 50 GCGDHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826342720 607338140 /nfs/dbraw/zinc/33/81/40/607338140.db2.gz XBMNCMTWSAEISQ-UHFFFAOYSA-N -1 3 391.413 0.775 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000826480082 607338412 /nfs/dbraw/zinc/33/84/12/607338412.db2.gz QRAIGGZNSGZFTR-UHFFFAOYSA-N -1 3 392.379 0.782 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000826480082 607338414 /nfs/dbraw/zinc/33/84/14/607338414.db2.gz QRAIGGZNSGZFTR-UHFFFAOYSA-N -1 3 392.379 0.782 20 50 GCGDHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825341660 607343067 /nfs/dbraw/zinc/34/30/67/607343067.db2.gz GWSQDIZVCZZDQX-ZDUSSCGKSA-N -1 3 379.446 0.514 20 50 GCGDHM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825341945 607345543 /nfs/dbraw/zinc/34/55/43/607345543.db2.gz NAQLXBGULPJGKA-AWEZNQCLSA-N -1 3 393.473 0.904 20 50 GCGDHM CCNS(=O)(=O)c1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825476922 607346574 /nfs/dbraw/zinc/34/65/74/607346574.db2.gz YVYRXHXRSLKOHS-UHFFFAOYSA-N -1 3 387.425 0.922 20 50 GCGDHM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824104046 607347393 /nfs/dbraw/zinc/34/73/93/607347393.db2.gz MZZQYNFZHHKKOV-OLZOCXBDSA-N -1 3 389.416 0.680 20 50 GCGDHM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824104048 607347519 /nfs/dbraw/zinc/34/75/19/607347519.db2.gz MZZQYNFZHHKKOV-QWHCGFSZSA-N -1 3 389.416 0.680 20 50 GCGDHM O=C(Cn1cc(Br)ccc1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826424520 607349394 /nfs/dbraw/zinc/34/93/94/607349394.db2.gz PYYYUQNDTODFKK-UHFFFAOYSA-N -1 3 390.201 0.934 20 50 GCGDHM NC(=O)[C@@H]1CC(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)=NN1c1ccccc1 ZINC000826390248 607349704 /nfs/dbraw/zinc/34/97/04/607349704.db2.gz VBKLNAGZYDRZOQ-HNNXBMFYSA-N -1 3 391.395 0.430 20 50 GCGDHM O=C(CCNS(=O)(=O)c1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408233 607355657 /nfs/dbraw/zinc/35/56/57/607355657.db2.gz WOIJOXOFWPZIDR-UHFFFAOYSA-N -1 3 387.425 0.678 20 50 GCGDHM NC(=O)c1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)nn1-c1ccccc1 ZINC000826392747 607356620 /nfs/dbraw/zinc/35/66/20/607356620.db2.gz LVZZMPLKRUONHY-UHFFFAOYSA-N -1 3 389.379 0.908 20 50 GCGDHM COc1cc(OC)cc(C(=O)NCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826181061 607463227 /nfs/dbraw/zinc/46/32/27/607463227.db2.gz JKXFWRFUIHFFBV-UHFFFAOYSA-N -1 3 397.395 0.757 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)COCC(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235604 607509989 /nfs/dbraw/zinc/50/99/89/607509989.db2.gz MVWSVZXZISIRAS-AGKVCYSUSA-N -1 3 387.444 0.570 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)COCC(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235604 607509992 /nfs/dbraw/zinc/50/99/92/607509992.db2.gz MVWSVZXZISIRAS-AGKVCYSUSA-N -1 3 387.444 0.570 20 50 GCGDHM O=C(NC[C@H]1CCCn2ccnc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826435613 607565782 /nfs/dbraw/zinc/56/57/82/607565782.db2.gz RYZGXAOMGTVBDB-CYBMUJFWSA-N -1 3 381.400 0.585 20 50 GCGDHM O=C(NC[C@H]1CCCn2ccnc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826435613 607565783 /nfs/dbraw/zinc/56/57/83/607565783.db2.gz RYZGXAOMGTVBDB-CYBMUJFWSA-N -1 3 381.400 0.585 20 50 GCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)CNC(=O)c1cccs1 ZINC000826249854 607680787 /nfs/dbraw/zinc/68/07/87/607680787.db2.gz YGMZYVZJYZNBCI-UHFFFAOYSA-N -1 3 385.409 0.428 20 50 GCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)CNC(=O)c1cccs1 ZINC000826249854 607680789 /nfs/dbraw/zinc/68/07/89/607680789.db2.gz YGMZYVZJYZNBCI-UHFFFAOYSA-N -1 3 385.409 0.428 20 50 GCGDHM COc1ccc(CN(C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826192196 607708922 /nfs/dbraw/zinc/70/89/22/607708922.db2.gz CYFZVNKICJQSFH-UHFFFAOYSA-N -1 3 382.384 0.757 20 50 GCGDHM COc1ccc(CN(C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826192196 607708924 /nfs/dbraw/zinc/70/89/24/607708924.db2.gz CYFZVNKICJQSFH-UHFFFAOYSA-N -1 3 382.384 0.757 20 50 GCGDHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825341633 607716826 /nfs/dbraw/zinc/71/68/26/607716826.db2.gz GPXIUQFDDPCZEN-ZDUSSCGKSA-N -1 3 379.446 0.514 20 50 GCGDHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825341633 607716828 /nfs/dbraw/zinc/71/68/28/607716828.db2.gz GPXIUQFDDPCZEN-ZDUSSCGKSA-N -1 3 379.446 0.514 20 50 GCGDHM NS(=O)(=O)c1ccc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826394424 607719209 /nfs/dbraw/zinc/71/92/09/607719209.db2.gz JPKNABRSXAURAT-UHFFFAOYSA-N -1 3 379.427 0.261 20 50 GCGDHM Cn1cc([C@@H]2[C@@H](C(=O)NNc3cccc(-c4nnn[n-]4)c3)CCC(=O)N2C)cn1 ZINC000826011085 607725813 /nfs/dbraw/zinc/72/58/13/607725813.db2.gz WMTWQFPLFXHGKP-GOEBONIOSA-N -1 3 395.427 0.653 20 50 GCGDHM Cn1cc([C@@H]2[C@@H](C(=O)NNc3cccc(-c4nn[n-]n4)c3)CCC(=O)N2C)cn1 ZINC000826011085 607725815 /nfs/dbraw/zinc/72/58/15/607725815.db2.gz WMTWQFPLFXHGKP-GOEBONIOSA-N -1 3 395.427 0.653 20 50 GCGDHM O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406537 607726229 /nfs/dbraw/zinc/72/62/29/607726229.db2.gz BHHASTGMHODLNW-UHFFFAOYSA-N -1 3 384.400 0.565 20 50 GCGDHM O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406537 607726230 /nfs/dbraw/zinc/72/62/30/607726230.db2.gz BHHASTGMHODLNW-UHFFFAOYSA-N -1 3 384.400 0.565 20 50 GCGDHM CS(=O)(=O)N1CCc2cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000826223385 607729464 /nfs/dbraw/zinc/72/94/64/607729464.db2.gz KVBPSSLWXSPRCI-UHFFFAOYSA-N -1 3 399.436 0.946 20 50 GCGDHM CS(=O)(=O)N1CCc2cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826223385 607729465 /nfs/dbraw/zinc/72/94/65/607729465.db2.gz KVBPSSLWXSPRCI-UHFFFAOYSA-N -1 3 399.436 0.946 20 50 GCGDHM C[C@@]1(c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)NC(=O)NC1=O ZINC000824844002 607729546 /nfs/dbraw/zinc/72/95/46/607729546.db2.gz MFAWZVOSNFQEHC-SFHVURJKSA-N -1 3 392.379 0.678 20 50 GCGDHM CCOC(Cn1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)nn1)OCC ZINC000825576613 607729601 /nfs/dbraw/zinc/72/96/01/607729601.db2.gz LUJCBROCMDNNDQ-UHFFFAOYSA-N -1 3 387.404 0.614 20 50 GCGDHM CCOC(Cn1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)nn1)OCC ZINC000825576613 607729603 /nfs/dbraw/zinc/72/96/03/607729603.db2.gz LUJCBROCMDNNDQ-UHFFFAOYSA-N -1 3 387.404 0.614 20 50 GCGDHM O=C(CCCS(=O)(=O)N1CCCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406744 607731616 /nfs/dbraw/zinc/73/16/16/607731616.db2.gz KOOCUAZNEJAMMS-UHFFFAOYSA-N -1 3 379.446 0.516 20 50 GCGDHM O=C(CCCS(=O)(=O)N1CCCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406744 607731618 /nfs/dbraw/zinc/73/16/18/607731618.db2.gz KOOCUAZNEJAMMS-UHFFFAOYSA-N -1 3 379.446 0.516 20 50 GCGDHM Cn1nc(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c2ccccc2c1=O ZINC000826365880 607732014 /nfs/dbraw/zinc/73/20/14/607732014.db2.gz IBFSPIXJCQYPRB-UHFFFAOYSA-N -1 3 376.380 0.799 20 50 GCGDHM Cn1nc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccc2c1=O ZINC000826365880 607732016 /nfs/dbraw/zinc/73/20/16/607732016.db2.gz IBFSPIXJCQYPRB-UHFFFAOYSA-N -1 3 376.380 0.799 20 50 GCGDHM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824304610 607732265 /nfs/dbraw/zinc/73/22/65/607732265.db2.gz CRFJNULMXQFXNV-UHFFFAOYSA-N -1 3 390.429 0.638 20 50 GCGDHM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824304610 607732267 /nfs/dbraw/zinc/73/22/67/607732267.db2.gz CRFJNULMXQFXNV-UHFFFAOYSA-N -1 3 390.429 0.638 20 50 GCGDHM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824109389 607732379 /nfs/dbraw/zinc/73/23/79/607732379.db2.gz OXFOZQKWFNVQMO-CYBMUJFWSA-N -1 3 389.416 0.946 20 50 GCGDHM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824109389 607732381 /nfs/dbraw/zinc/73/23/81/607732381.db2.gz OXFOZQKWFNVQMO-CYBMUJFWSA-N -1 3 389.416 0.946 20 50 GCGDHM O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823281006 606268579 /nfs/dbraw/zinc/26/85/79/606268579.db2.gz LKAAJRBHPUQXGK-UHFFFAOYSA-N -1 3 388.413 0.392 20 50 GCGDHM O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823281006 606268580 /nfs/dbraw/zinc/26/85/80/606268580.db2.gz LKAAJRBHPUQXGK-UHFFFAOYSA-N -1 3 388.413 0.392 20 50 GCGDHM CN1CCN(c2ncc(C=NNC(=O)c3ccc(-c4nn[n-]n4)cc3)cn2)CC1 ZINC000826045228 607887649 /nfs/dbraw/zinc/88/76/49/607887649.db2.gz SAYMLMAUKCIBTL-UHFFFAOYSA-N -1 3 392.427 0.172 20 50 GCGDHM O=C(CN1CCC[C@H]1c1ccc[nH]1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410759 607924652 /nfs/dbraw/zinc/92/46/52/607924652.db2.gz XOXVLGKAQDMPLF-HNNXBMFYSA-N -1 3 380.412 0.793 20 50 GCGDHM O=C(CN1CCC[C@H]1c1ccc[nH]1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410759 607924653 /nfs/dbraw/zinc/92/46/53/607924653.db2.gz XOXVLGKAQDMPLF-HNNXBMFYSA-N -1 3 380.412 0.793 20 50 GCGDHM O=C(CN1CCC[C@@H]1c1ccccn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410249 607924977 /nfs/dbraw/zinc/92/49/77/607924977.db2.gz HRAYXGOWAKPECI-MRXNPFEDSA-N -1 3 392.423 0.860 20 50 GCGDHM O=C(CN1CCC[C@@H]1c1ccccn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410249 607924978 /nfs/dbraw/zinc/92/49/78/607924978.db2.gz HRAYXGOWAKPECI-MRXNPFEDSA-N -1 3 392.423 0.860 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCCC3(C2)OCCO3)cc(-c2nnn[n-]2)n1C ZINC000826235182 607995728 /nfs/dbraw/zinc/99/57/28/607995728.db2.gz DSECTZSAUYINOV-ZSOIEALJSA-N -1 3 383.412 0.786 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCCC3(C2)OCCO3)cc(-c2nn[n-]n2)n1C ZINC000826235182 607995729 /nfs/dbraw/zinc/99/57/29/607995729.db2.gz DSECTZSAUYINOV-ZSOIEALJSA-N -1 3 383.412 0.786 20 50 GCGDHM O=C(NNC(=O)c1ccc(OCC(F)F)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445244 608057506 /nfs/dbraw/zinc/05/75/06/608057506.db2.gz LYGFEQWKGFUACZ-UHFFFAOYSA-N -1 3 389.322 0.980 20 50 GCGDHM O=C(NNC(=O)c1ccc(OCC(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445244 608057507 /nfs/dbraw/zinc/05/75/07/608057507.db2.gz LYGFEQWKGFUACZ-UHFFFAOYSA-N -1 3 389.322 0.980 20 50 GCGDHM Cn1cc(C(C)(C)C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826358768 608143648 /nfs/dbraw/zinc/14/36/48/608143648.db2.gz HNVNZIYVSUEBBW-UHFFFAOYSA-N -1 3 384.400 0.104 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCc1noc(C2CC2)n1 ZINC000826417567 608171266 /nfs/dbraw/zinc/17/12/66/608171266.db2.gz VZPBGHIYMGJFEW-UHFFFAOYSA-N -1 3 399.371 0.037 20 50 GCGDHM CCC1(CO)CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825172044 608172659 /nfs/dbraw/zinc/17/26/59/608172659.db2.gz ZSERIXAOWJMIDE-UHFFFAOYSA-N -1 3 387.444 0.112 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826235585 608202780 /nfs/dbraw/zinc/20/27/80/608202780.db2.gz MPJOWDZRXXMRQP-ARHXWZJCSA-N -1 3 397.439 0.875 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235585 608202781 /nfs/dbraw/zinc/20/27/81/608202781.db2.gz MPJOWDZRXXMRQP-ARHXWZJCSA-N -1 3 397.439 0.875 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000826236123 608206910 /nfs/dbraw/zinc/20/69/10/608206910.db2.gz ZCJWRHBZYDNRET-WTWVRAIASA-N -1 3 396.411 0.474 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000826236123 608206912 /nfs/dbraw/zinc/20/69/12/608206912.db2.gz ZCJWRHBZYDNRET-WTWVRAIASA-N -1 3 396.411 0.474 20 50 GCGDHM Cc1cn2c(ncc(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)c2=O)s1 ZINC000826317070 608274534 /nfs/dbraw/zinc/27/45/34/608274534.db2.gz LQPGPHJKNNLZBW-UHFFFAOYSA-N -1 3 396.392 0.319 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccccn2)cc(-c2nnn[n-]2)n1C ZINC000826235395 608381064 /nfs/dbraw/zinc/38/10/64/608381064.db2.gz JFMADEMLQRNUPF-DJXGBFBFSA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccccn2)cc(-c2nn[n-]n2)n1C ZINC000826235395 608381065 /nfs/dbraw/zinc/38/10/65/608381065.db2.gz JFMADEMLQRNUPF-DJXGBFBFSA-N -1 3 378.396 0.665 20 50 GCGDHM COC(=O)[C@H](C)n1cccc1C=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826102917 608388341 /nfs/dbraw/zinc/38/83/41/608388341.db2.gz ALXNBCMFUNVUSY-LBPRGKRZSA-N -1 3 397.395 0.931 20 50 GCGDHM COC(=O)[C@H](C)n1cccc1C=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826102917 608388343 /nfs/dbraw/zinc/38/83/43/608388343.db2.gz ALXNBCMFUNVUSY-LBPRGKRZSA-N -1 3 397.395 0.931 20 50 GCGDHM Cc1cnc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000826318886 608400904 /nfs/dbraw/zinc/40/09/04/608400904.db2.gz DZCFXCUNNOKXMV-UHFFFAOYSA-N -1 3 398.339 0.318 20 50 GCGDHM Cc1cnc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826318886 608400905 /nfs/dbraw/zinc/40/09/05/608400905.db2.gz DZCFXCUNNOKXMV-UHFFFAOYSA-N -1 3 398.339 0.318 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444387 608414142 /nfs/dbraw/zinc/41/41/42/608414142.db2.gz DKAAMVMUVAEDFT-ZDUSSCGKSA-N -1 3 381.400 0.824 20 50 GCGDHM CC[C@H](SC)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825159551 608458576 /nfs/dbraw/zinc/45/85/76/608458576.db2.gz PRUGZRGNOIKDKL-NSHDSACASA-N -1 3 378.414 0.313 20 50 GCGDHM CC[C@H](SC)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825159551 608458577 /nfs/dbraw/zinc/45/85/77/608458577.db2.gz PRUGZRGNOIKDKL-NSHDSACASA-N -1 3 378.414 0.313 20 50 GCGDHM C[C@H]1CC(NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000824892266 608492508 /nfs/dbraw/zinc/49/25/08/608492508.db2.gz GDRYOBNRIQSXHC-QWRGUYRKSA-N -1 3 389.416 0.532 20 50 GCGDHM CSCCNC(=S)NNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826229038 608764504 /nfs/dbraw/zinc/76/45/04/608764504.db2.gz MJQZQKTVXXENSG-VIFPVBQESA-N -1 3 381.487 0.492 20 50 GCGDHM CSCCNC(=S)NNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826229038 608764506 /nfs/dbraw/zinc/76/45/06/608764506.db2.gz MJQZQKTVXXENSG-VIFPVBQESA-N -1 3 381.487 0.492 20 50 GCGDHM C[C@@H](c1ccncc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824770149 608803049 /nfs/dbraw/zinc/80/30/49/608803049.db2.gz FOFQHNVLAVWZBM-LBPRGKRZSA-N -1 3 380.412 0.716 20 50 GCGDHM C[C@@H](c1ccncc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824770149 608803050 /nfs/dbraw/zinc/80/30/50/608803050.db2.gz FOFQHNVLAVWZBM-LBPRGKRZSA-N -1 3 380.412 0.716 20 50 GCGDHM CON(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000826166401 609145105 /nfs/dbraw/zinc/14/51/05/609145105.db2.gz JCJQZKFSRQBJPW-UHFFFAOYSA-N -1 3 381.396 0.691 20 50 GCGDHM CON(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000826166401 609145107 /nfs/dbraw/zinc/14/51/07/609145107.db2.gz JCJQZKFSRQBJPW-UHFFFAOYSA-N -1 3 381.396 0.691 20 50 GCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=S)N1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948489 609159078 /nfs/dbraw/zinc/15/90/78/609159078.db2.gz PAYFCSYZZGHDHI-UHFFFAOYSA-N -1 3 388.388 0.873 20 50 GCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=S)N1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948489 609159080 /nfs/dbraw/zinc/15/90/80/609159080.db2.gz PAYFCSYZZGHDHI-UHFFFAOYSA-N -1 3 388.388 0.873 20 50 GCGDHM COC1(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCC1 ZINC000826143554 609187962 /nfs/dbraw/zinc/18/79/62/609187962.db2.gz FSWGGPWLAUYSOY-UHFFFAOYSA-N -1 3 375.389 0.145 20 50 GCGDHM COC1(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCC1 ZINC000826143554 609187964 /nfs/dbraw/zinc/18/79/64/609187964.db2.gz FSWGGPWLAUYSOY-UHFFFAOYSA-N -1 3 375.389 0.145 20 50 GCGDHM O=C(NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000826444769 609189685 /nfs/dbraw/zinc/18/96/85/609189685.db2.gz TWEAYFSRKJLQTF-HNNXBMFYSA-N -1 3 396.363 0.133 20 50 GCGDHM O=C(NNc1ncccn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826450087 609204701 /nfs/dbraw/zinc/20/47/01/609204701.db2.gz WPSZPLBIEWBRFL-ZDUSSCGKSA-N -1 3 394.399 0.478 20 50 GCGDHM O=C(NNc1ncccn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826450087 609204702 /nfs/dbraw/zinc/20/47/02/609204702.db2.gz WPSZPLBIEWBRFL-ZDUSSCGKSA-N -1 3 394.399 0.478 20 50 GCGDHM O=C(Cn1ccc2ccccc21)NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826424530 609224430 /nfs/dbraw/zinc/22/44/30/609224430.db2.gz QJJFGPKKZNWXDP-QGZVFWFLSA-N -1 3 391.391 0.702 20 50 GCGDHM O=C(Cn1ccc2ccccc21)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826424530 609224432 /nfs/dbraw/zinc/22/44/32/609224432.db2.gz QJJFGPKKZNWXDP-QGZVFWFLSA-N -1 3 391.391 0.702 20 50 GCGDHM CCOCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000825599673 609265688 /nfs/dbraw/zinc/26/56/88/609265688.db2.gz PEYJHXAXRYOVBA-VGOFMYFVSA-N -1 3 385.428 0.685 20 50 GCGDHM CCOCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000825599673 609265689 /nfs/dbraw/zinc/26/56/89/609265689.db2.gz PEYJHXAXRYOVBA-VGOFMYFVSA-N -1 3 385.428 0.685 20 50 GCGDHM COCCNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826160412 609302457 /nfs/dbraw/zinc/30/24/57/609302457.db2.gz QQHLUPXPQSNBQD-NTEUORMPSA-N -1 3 378.396 0.937 20 50 GCGDHM COCCNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826160412 609302458 /nfs/dbraw/zinc/30/24/58/609302458.db2.gz QQHLUPXPQSNBQD-NTEUORMPSA-N -1 3 378.396 0.937 20 50 GCGDHM COCCO[C@H](C)C(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826160499 609305910 /nfs/dbraw/zinc/30/59/10/609305910.db2.gz ULGPRNHHQMYQCB-GFCCVEGCSA-N -1 3 398.427 0.769 20 50 GCGDHM COCCO[C@H](C)C(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826160499 609305912 /nfs/dbraw/zinc/30/59/12/609305912.db2.gz ULGPRNHHQMYQCB-GFCCVEGCSA-N -1 3 398.427 0.769 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H](OC(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444599 609322495 /nfs/dbraw/zinc/32/24/95/609322495.db2.gz MXVQAOIGXCCSRB-NSHDSACASA-N -1 3 381.343 0.925 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H](OC(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444599 609322497 /nfs/dbraw/zinc/32/24/97/609322497.db2.gz MXVQAOIGXCCSRB-NSHDSACASA-N -1 3 381.343 0.925 20 50 GCGDHM CCc1nc2ccccc2n1CC(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825750722 609410842 /nfs/dbraw/zinc/41/08/42/609410842.db2.gz WJRPNXQSRZQPQM-UHFFFAOYSA-N -1 3 379.384 0.568 20 50 GCGDHM CCc1nc2ccccc2n1CC(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825750722 609410845 /nfs/dbraw/zinc/41/08/45/609410845.db2.gz WJRPNXQSRZQPQM-UHFFFAOYSA-N -1 3 379.384 0.568 20 50 GCGDHM CCN(Cc1cn(C)nn1)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825439874 609430589 /nfs/dbraw/zinc/43/05/89/609430589.db2.gz RPDHAZGACYFBHX-MLPAPPSSSA-N -1 3 380.416 0.598 20 50 GCGDHM CCN(Cc1cn(C)nn1)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825439874 609430591 /nfs/dbraw/zinc/43/05/91/609430591.db2.gz RPDHAZGACYFBHX-MLPAPPSSSA-N -1 3 380.416 0.598 20 50 GCGDHM COc1ccccc1[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826218757 609444060 /nfs/dbraw/zinc/44/40/60/609444060.db2.gz KGYHUBDUIKDIPW-CQSZACIVSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1ccccc1[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826218757 609444061 /nfs/dbraw/zinc/44/40/61/609444061.db2.gz KGYHUBDUIKDIPW-CQSZACIVSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1cccc([C@H](CO)NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826214621 609444453 /nfs/dbraw/zinc/44/44/53/609444453.db2.gz RFUCTMIKZRENSX-HNNXBMFYSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1cccc([C@H](CO)NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214621 609444456 /nfs/dbraw/zinc/44/44/56/609444456.db2.gz RFUCTMIKZRENSX-HNNXBMFYSA-N -1 3 397.395 0.553 20 50 GCGDHM Cc1ccccc1[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826305738 609445226 /nfs/dbraw/zinc/44/52/26/609445226.db2.gz HHVGFMNWWLIFKH-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccccc1[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826305738 609445229 /nfs/dbraw/zinc/44/52/29/609445229.db2.gz HHVGFMNWWLIFKH-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H](CO)Cc1ccccc1 ZINC000826445206 609446745 /nfs/dbraw/zinc/44/67/45/609446745.db2.gz KUDHGVDEBVNBNS-HNNXBMFYSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H](CO)Cc1ccccc1 ZINC000826445206 609446746 /nfs/dbraw/zinc/44/67/46/609446746.db2.gz KUDHGVDEBVNBNS-HNNXBMFYSA-N -1 3 381.396 0.414 20 50 GCGDHM CCC[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825254218 609533935 /nfs/dbraw/zinc/53/39/35/609533935.db2.gz RIYNJXLOEYKIGW-ZFWWWQNUSA-N -1 3 388.428 0.988 20 50 GCGDHM Cc1ccccc1NC(=O)NNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737434535 945065394 /nfs/dbraw/zinc/06/53/94/945065394.db2.gz HEGICJCNQYBHQN-UHFFFAOYSA-N -1 3 394.395 0.758 20 50 GCGDHM Cc1ccccc1NC(=O)NNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737434535 945065408 /nfs/dbraw/zinc/06/54/08/945065408.db2.gz HEGICJCNQYBHQN-UHFFFAOYSA-N -1 3 394.395 0.758 20 50 GCGDHM Cc1n[nH]cc1C(=O)NNC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737451765 945070296 /nfs/dbraw/zinc/07/02/96/945070296.db2.gz BLZYOIGSNKDHAG-CQSZACIVSA-N -1 3 384.400 0.763 20 50 GCGDHM Cc1ncc(C=CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737489383 945082911 /nfs/dbraw/zinc/08/29/11/945082911.db2.gz JMSURRDRXFMYPW-SREVYHEPSA-N -1 3 385.409 0.871 20 50 GCGDHM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737502481 945085344 /nfs/dbraw/zinc/08/53/44/945085344.db2.gz WJJQHCREXKYEPC-HNNXBMFYSA-N -1 3 393.411 0.987 20 50 GCGDHM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737502481 945085355 /nfs/dbraw/zinc/08/53/55/945085355.db2.gz WJJQHCREXKYEPC-HNNXBMFYSA-N -1 3 393.411 0.987 20 50 GCGDHM Cc1noc([C@@H](C)NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737534868 945090871 /nfs/dbraw/zinc/09/08/71/945090871.db2.gz RZOXFRUAEZHKHX-MRVPVSSYSA-N -1 3 387.360 0.029 20 50 GCGDHM Cc1noc(C2CCN(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737535243 945092653 /nfs/dbraw/zinc/09/26/53/945092653.db2.gz RNLIURQXQXDMKO-UHFFFAOYSA-N -1 3 397.399 0.792 20 50 GCGDHM Cc1noc(C2CCN(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737535243 945092665 /nfs/dbraw/zinc/09/26/65/945092665.db2.gz RNLIURQXQXDMKO-UHFFFAOYSA-N -1 3 397.399 0.792 20 50 GCGDHM Cn1cc(-c2cncc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000737591651 945098280 /nfs/dbraw/zinc/09/82/80/945098280.db2.gz ITXPDSYPBUIAQJ-UHFFFAOYSA-N -1 3 389.379 0.737 20 50 GCGDHM N#Cc1ccc2ncc(C=NNC(=O)COc3ccccc3-c3nnn[n-]3)n2c1 ZINC000737721813 945116466 /nfs/dbraw/zinc/11/64/66/945116466.db2.gz CKJHLAMKIGOIBW-UHFFFAOYSA-N -1 3 387.363 0.915 20 50 GCGDHM N#Cc1ccc2ncc(C=NNC(=O)COc3ccccc3-c3nn[n-]n3)n2c1 ZINC000737721813 945116469 /nfs/dbraw/zinc/11/64/69/945116469.db2.gz CKJHLAMKIGOIBW-UHFFFAOYSA-N -1 3 387.363 0.915 20 50 GCGDHM NC(=O)NCc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737754593 945122171 /nfs/dbraw/zinc/12/21/71/945122171.db2.gz GTFYZSGTBBLLIH-UHFFFAOYSA-N -1 3 380.368 0.110 20 50 GCGDHM NC(=O)NCc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737754593 945122177 /nfs/dbraw/zinc/12/21/77/945122177.db2.gz GTFYZSGTBBLLIH-UHFFFAOYSA-N -1 3 380.368 0.110 20 50 GCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1 ZINC000737776629 945124220 /nfs/dbraw/zinc/12/42/20/945124220.db2.gz NBOQOYNAIWIKGF-UHFFFAOYSA-N -1 3 395.305 0.348 20 50 GCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNC(=O)CC(F)(F)F)cc1 ZINC000737776629 945124226 /nfs/dbraw/zinc/12/42/26/945124226.db2.gz NBOQOYNAIWIKGF-UHFFFAOYSA-N -1 3 395.305 0.348 20 50 GCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNC(=O)c2ccncc2)cc1 ZINC000737775885 945124349 /nfs/dbraw/zinc/12/43/49/945124349.db2.gz HMVCPNXQZLFAML-UHFFFAOYSA-N -1 3 390.367 0.104 20 50 GCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNC(=O)c2ccncc2)cc1 ZINC000737775885 945124353 /nfs/dbraw/zinc/12/43/53/945124353.db2.gz HMVCPNXQZLFAML-UHFFFAOYSA-N -1 3 390.367 0.104 20 50 GCGDHM O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737818654 945131234 /nfs/dbraw/zinc/13/12/34/945131234.db2.gz JNVYOQUTJVGLQM-AWEZNQCLSA-N -1 3 378.348 0.930 20 50 GCGDHM O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737818654 945131240 /nfs/dbraw/zinc/13/12/40/945131240.db2.gz JNVYOQUTJVGLQM-AWEZNQCLSA-N -1 3 378.348 0.930 20 50 GCGDHM O=C(CCc1ccccc1)NNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737857036 945140253 /nfs/dbraw/zinc/14/02/53/945140253.db2.gz KIMIWLSSYOTEFD-UHFFFAOYSA-N -1 3 393.407 0.377 20 50 GCGDHM O=C(CCc1ccccc1)NNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737857036 945140255 /nfs/dbraw/zinc/14/02/55/945140255.db2.gz KIMIWLSSYOTEFD-UHFFFAOYSA-N -1 3 393.407 0.377 20 50 GCGDHM O=C(CNc1ccccc1[N+](=O)[O-])NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737900500 945148448 /nfs/dbraw/zinc/14/84/48/945148448.db2.gz LPRANZZDRCQFPL-UHFFFAOYSA-N -1 3 382.340 0.648 20 50 GCGDHM O=C(CNc1ccccc1[N+](=O)[O-])NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737900500 945148454 /nfs/dbraw/zinc/14/84/54/945148454.db2.gz LPRANZZDRCQFPL-UHFFFAOYSA-N -1 3 382.340 0.648 20 50 GCGDHM O=C(CSC[C@@H]1CCCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737932820 945159796 /nfs/dbraw/zinc/15/97/96/945159796.db2.gz QPBQRTCJVOXPFO-ZDUSSCGKSA-N -1 3 376.442 0.930 20 50 GCGDHM O=C(CSC[C@@H]1CCCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737932820 945159799 /nfs/dbraw/zinc/15/97/99/945159799.db2.gz QPBQRTCJVOXPFO-ZDUSSCGKSA-N -1 3 376.442 0.930 20 50 GCGDHM O=C(CSc1nnc2ccccn21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737954456 945164918 /nfs/dbraw/zinc/16/49/18/945164918.db2.gz YYHTXFAWEJFERU-UHFFFAOYSA-N -1 3 395.408 0.463 20 50 GCGDHM O=C(CSc1nnc2ccccn21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737954456 945164920 /nfs/dbraw/zinc/16/49/20/945164920.db2.gz YYHTXFAWEJFERU-UHFFFAOYSA-N -1 3 395.408 0.463 20 50 GCGDHM O=C(NC[C@H](O)c1cccc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738042208 945175131 /nfs/dbraw/zinc/17/51/31/945175131.db2.gz XDAYIDDUEOKFBA-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NC[C@H](O)c1cccc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738042208 945175140 /nfs/dbraw/zinc/17/51/40/945175140.db2.gz XDAYIDDUEOKFBA-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NC[C@@H]1COc2ccccc2O1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738053724 945179016 /nfs/dbraw/zinc/17/90/16/945179016.db2.gz YWGSGZLTPXNDMT-CYBMUJFWSA-N -1 3 395.379 0.651 20 50 GCGDHM O=C(NC[C@@H]1COc2ccccc2O1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738053724 945179022 /nfs/dbraw/zinc/17/90/22/945179022.db2.gz YWGSGZLTPXNDMT-CYBMUJFWSA-N -1 3 395.379 0.651 20 50 GCGDHM O=C(NCCOC[C@@H]1CCCO1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738081362 945183528 /nfs/dbraw/zinc/18/35/28/945183528.db2.gz BVRRLSVFFREWFI-ZDUSSCGKSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCCOC[C@@H]1CCCO1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738081362 945183531 /nfs/dbraw/zinc/18/35/31/945183531.db2.gz BVRRLSVFFREWFI-ZDUSSCGKSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCc1ccc2c(c1)OCCO2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738113590 945192360 /nfs/dbraw/zinc/19/23/60/945192360.db2.gz YUPXFJDQHZNNKB-UHFFFAOYSA-N -1 3 395.379 0.782 20 50 GCGDHM O=C(NCc1ccc2c(c1)OCCO2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738113590 945192362 /nfs/dbraw/zinc/19/23/62/945192362.db2.gz YUPXFJDQHZNNKB-UHFFFAOYSA-N -1 3 395.379 0.782 20 50 GCGDHM O=C(NCc1ccc2c(c1)CCO2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738111120 945192467 /nfs/dbraw/zinc/19/24/67/945192467.db2.gz IBUWUBMFKAUQFZ-UHFFFAOYSA-N -1 3 379.380 0.946 20 50 GCGDHM O=C(NCc1ccc2c(c1)CCO2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738111120 945192475 /nfs/dbraw/zinc/19/24/75/945192475.db2.gz IBUWUBMFKAUQFZ-UHFFFAOYSA-N -1 3 379.380 0.946 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(c2ccccc2)=NO1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129351 945201426 /nfs/dbraw/zinc/20/14/26/945201426.db2.gz AAIYORMWLIYPIX-HNNXBMFYSA-N -1 3 377.364 0.821 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(c2ccccc2)=NO1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129351 945201432 /nfs/dbraw/zinc/20/14/32/945201432.db2.gz AAIYORMWLIYPIX-HNNXBMFYSA-N -1 3 377.364 0.821 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130124 945207766 /nfs/dbraw/zinc/20/77/66/945207766.db2.gz KSMARGGOIDPESJ-GFCCVEGCSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130124 945207771 /nfs/dbraw/zinc/20/77/71/945207771.db2.gz KSMARGGOIDPESJ-GFCCVEGCSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738130629 945211560 /nfs/dbraw/zinc/21/15/60/945211560.db2.gz UBNJSQFFLNSVSC-VHSXEESVSA-N -1 3 397.317 0.085 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738130629 945211571 /nfs/dbraw/zinc/21/15/71/945211571.db2.gz UBNJSQFFLNSVSC-VHSXEESVSA-N -1 3 397.317 0.085 20 50 GCGDHM O=C(NNC(=O)c1ccccc1N1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738133971 945215760 /nfs/dbraw/zinc/21/57/60/945215760.db2.gz AMUIKYHWWIOWBA-UHFFFAOYSA-N -1 3 393.407 0.778 20 50 GCGDHM O=C(NNC(=O)c1ccccc1N1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738133971 945215765 /nfs/dbraw/zinc/21/57/65/945215765.db2.gz AMUIKYHWWIOWBA-UHFFFAOYSA-N -1 3 393.407 0.778 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-n2ccnc2)nc1 ZINC000738134477 945221477 /nfs/dbraw/zinc/22/14/77/945221477.db2.gz OGZLSGFGSZEVAI-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-n2ccnc2)nc1 ZINC000738134477 945221485 /nfs/dbraw/zinc/22/14/85/945221485.db2.gz OGZLSGFGSZEVAI-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)N1CCOC[C@H]1c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000738135725 945227610 /nfs/dbraw/zinc/22/76/10/945227610.db2.gz BDKOSGRKRBCKEF-ZDUSSCGKSA-N -1 3 383.368 0.888 20 50 GCGDHM O=C(NNC(=O)N1CCOC[C@H]1c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000738135725 945227621 /nfs/dbraw/zinc/22/76/21/945227621.db2.gz BDKOSGRKRBCKEF-ZDUSSCGKSA-N -1 3 383.368 0.888 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ncon2)cc1 ZINC000738136307 945233085 /nfs/dbraw/zinc/23/30/85/945233085.db2.gz INZPEEIVZGJHOZ-UHFFFAOYSA-N -1 3 376.336 0.992 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ncon2)cc1 ZINC000738136307 945233091 /nfs/dbraw/zinc/23/30/91/945233091.db2.gz INZPEEIVZGJHOZ-UHFFFAOYSA-N -1 3 376.336 0.992 20 50 GCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000819882926 945306648 /nfs/dbraw/zinc/30/66/48/945306648.db2.gz CTFPHIFVWMLTBW-SSDOTTSWSA-N -1 3 386.290 0.369 20 50 GCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000819882926 945306659 /nfs/dbraw/zinc/30/66/59/945306659.db2.gz CTFPHIFVWMLTBW-SSDOTTSWSA-N -1 3 386.290 0.369 20 50 GCGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1cccnc1 ZINC000820001596 945324982 /nfs/dbraw/zinc/32/49/82/945324982.db2.gz ULEWRSPXPJHKGN-UHFFFAOYSA-N -1 3 381.396 0.809 20 50 GCGDHM CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NN=c1ccc(C(N)=O)n[n-]1 ZINC000820031374 945333699 /nfs/dbraw/zinc/33/36/99/945333699.db2.gz DNTRNWDFSDBMSL-CQSZACIVSA-N -1 3 397.399 0.302 20 50 GCGDHM CC(=NNC(=O)C(=O)NC(C)C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735447169 944654899 /nfs/dbraw/zinc/65/48/99/944654899.db2.gz JYMIRNKYEUFQPY-UHFFFAOYSA-N -1 3 395.427 0.726 20 50 GCGDHM CC(C)(C)[S@](=O)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735644487 944684736 /nfs/dbraw/zinc/68/47/36/944684736.db2.gz YOSNTLNTCHUWCA-AREMUKBSSA-N -1 3 379.446 0.358 20 50 GCGDHM CC(C)(C)[S@](=O)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735644487 944684743 /nfs/dbraw/zinc/68/47/43/944684743.db2.gz YOSNTLNTCHUWCA-AREMUKBSSA-N -1 3 379.446 0.358 20 50 GCGDHM CC(C)NC(=O)CCCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735884874 944709836 /nfs/dbraw/zinc/70/98/36/944709836.db2.gz QDDUJRRELPRWES-UHFFFAOYSA-N -1 3 389.416 0.088 20 50 GCGDHM C[C@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)NC(=O)C1CCCC1 ZINC000735974799 944726631 /nfs/dbraw/zinc/72/66/31/944726631.db2.gz JFVDBJZBEFEHAI-LLVKDONJSA-N -1 3 385.428 0.713 20 50 GCGDHM C[C@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)NC(=O)C1CCCC1 ZINC000735974799 944726635 /nfs/dbraw/zinc/72/66/35/944726635.db2.gz JFVDBJZBEFEHAI-LLVKDONJSA-N -1 3 385.428 0.713 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccco1 ZINC000736116210 944740564 /nfs/dbraw/zinc/74/05/64/944740564.db2.gz DVARPZWVHPORTK-JTQLQIEISA-N -1 3 398.383 0.109 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccco1 ZINC000736116210 944740568 /nfs/dbraw/zinc/74/05/68/944740568.db2.gz DVARPZWVHPORTK-JTQLQIEISA-N -1 3 398.383 0.109 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736144042 944749823 /nfs/dbraw/zinc/74/98/23/944749823.db2.gz XPCJAVOAMAKZCT-SFHVURJKSA-N -1 3 381.396 0.718 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736144042 944749833 /nfs/dbraw/zinc/74/98/33/944749833.db2.gz XPCJAVOAMAKZCT-SFHVURJKSA-N -1 3 381.396 0.718 20 50 GCGDHM C[C@@H](NC(=S)NNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736169490 944751250 /nfs/dbraw/zinc/75/12/50/944751250.db2.gz NYQIYQCVUOSHRB-ZJUUUORDSA-N -1 3 375.458 0.928 20 50 GCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000736166939 944751499 /nfs/dbraw/zinc/75/14/99/944751499.db2.gz BCGSDJJYZBAUSG-MEDUHNTESA-N -1 3 394.391 0.785 20 50 GCGDHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736226857 944768279 /nfs/dbraw/zinc/76/82/79/944768279.db2.gz IUKKKPPZVGAWGK-GHMZBOCLSA-N -1 3 379.446 0.324 20 50 GCGDHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736226857 944768283 /nfs/dbraw/zinc/76/82/83/944768283.db2.gz IUKKKPPZVGAWGK-GHMZBOCLSA-N -1 3 379.446 0.324 20 50 GCGDHM C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736226859 944768352 /nfs/dbraw/zinc/76/83/52/944768352.db2.gz IUKKKPPZVGAWGK-QWRGUYRKSA-N -1 3 379.446 0.324 20 50 GCGDHM C[C@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736226859 944768358 /nfs/dbraw/zinc/76/83/58/944768358.db2.gz IUKKKPPZVGAWGK-QWRGUYRKSA-N -1 3 379.446 0.324 20 50 GCGDHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736222858 944768584 /nfs/dbraw/zinc/76/85/84/944768584.db2.gz GPRSPHPHEJQEHW-PMQYHDKYSA-N -1 3 377.430 0.062 20 50 GCGDHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736222858 944768586 /nfs/dbraw/zinc/76/85/86/944768586.db2.gz GPRSPHPHEJQEHW-PMQYHDKYSA-N -1 3 377.430 0.062 20 50 GCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736305295 944793995 /nfs/dbraw/zinc/79/39/95/944793995.db2.gz UBUGYHBVPGQVCP-GFCCVEGCSA-N -1 3 387.444 0.656 20 50 GCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736305295 944794000 /nfs/dbraw/zinc/79/40/00/944794000.db2.gz UBUGYHBVPGQVCP-GFCCVEGCSA-N -1 3 387.444 0.656 20 50 GCGDHM C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736305690 944794358 /nfs/dbraw/zinc/79/43/58/944794358.db2.gz YVESWBWVWHFVAZ-MEBBXXQBSA-N -1 3 380.364 0.856 20 50 GCGDHM C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736305690 944794366 /nfs/dbraw/zinc/79/43/66/944794366.db2.gz YVESWBWVWHFVAZ-MEBBXXQBSA-N -1 3 380.364 0.856 20 50 GCGDHM CCCC[C@H](COC)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736439590 944821580 /nfs/dbraw/zinc/82/15/80/944821580.db2.gz XABHTFVDVIENGF-CYBMUJFWSA-N -1 3 391.432 0.781 20 50 GCGDHM CCNC(=O)NC1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000736576253 944846783 /nfs/dbraw/zinc/84/67/83/944846783.db2.gz NKSWBVSFJFGLRG-UHFFFAOYSA-N -1 3 386.416 0.260 20 50 GCGDHM CCNC(=O)NC1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000736576253 944846790 /nfs/dbraw/zinc/84/67/90/944846790.db2.gz NKSWBVSFJFGLRG-UHFFFAOYSA-N -1 3 386.416 0.260 20 50 GCGDHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736655704 944863315 /nfs/dbraw/zinc/86/33/15/944863315.db2.gz DQGMDBBWAORSIF-KUKWCLJQSA-N -1 3 391.457 0.360 20 50 GCGDHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736655704 944863319 /nfs/dbraw/zinc/86/33/19/944863319.db2.gz DQGMDBBWAORSIF-KUKWCLJQSA-N -1 3 391.457 0.360 20 50 GCGDHM CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736667874 944865675 /nfs/dbraw/zinc/86/56/75/944865675.db2.gz RGLSGZCEVPRVQJ-LBPRGKRZSA-N -1 3 389.416 0.931 20 50 GCGDHM CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736667874 944865683 /nfs/dbraw/zinc/86/56/83/944865683.db2.gz RGLSGZCEVPRVQJ-LBPRGKRZSA-N -1 3 389.416 0.931 20 50 GCGDHM CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736666517 944866441 /nfs/dbraw/zinc/86/64/41/944866441.db2.gz KGWAHUUPNPRKKD-LBPRGKRZSA-N -1 3 389.416 0.931 20 50 GCGDHM CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736666517 944866448 /nfs/dbraw/zinc/86/64/48/944866448.db2.gz KGWAHUUPNPRKKD-LBPRGKRZSA-N -1 3 389.416 0.931 20 50 GCGDHM CCc1ccccc1OCC(=O)NN[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736702711 944873478 /nfs/dbraw/zinc/87/34/78/944873478.db2.gz VVIUMRKXXJQYRP-KRWDZBQOSA-N -1 3 395.423 0.655 20 50 GCGDHM CCc1ccccc1OCC(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736702711 944873484 /nfs/dbraw/zinc/87/34/84/944873484.db2.gz VVIUMRKXXJQYRP-KRWDZBQOSA-N -1 3 395.423 0.655 20 50 GCGDHM CCN1C(=S)N=NC1CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736714449 944877166 /nfs/dbraw/zinc/87/71/66/944877166.db2.gz RPHBOFQEVBIBIC-WZUFQYTHSA-N -1 3 398.456 0.637 20 50 GCGDHM CCN1C(=S)N=NC1CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736714449 944877174 /nfs/dbraw/zinc/87/71/74/944877174.db2.gz RPHBOFQEVBIBIC-WZUFQYTHSA-N -1 3 398.456 0.637 20 50 GCGDHM CCn1nc(C)c(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000736729043 944879146 /nfs/dbraw/zinc/87/91/46/944879146.db2.gz SABKXJFOJASTSX-UHFFFAOYSA-N -1 3 383.416 0.844 20 50 GCGDHM CCn1nc(C)c(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000736729043 944879153 /nfs/dbraw/zinc/87/91/53/944879153.db2.gz SABKXJFOJASTSX-UHFFFAOYSA-N -1 3 383.416 0.844 20 50 GCGDHM CN(C)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736772648 944889093 /nfs/dbraw/zinc/88/90/93/944889093.db2.gz GKEUTOAHRACMPX-UHFFFAOYSA-N -1 3 381.400 0.472 20 50 GCGDHM CN(C)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736772648 944889108 /nfs/dbraw/zinc/88/91/08/944889108.db2.gz GKEUTOAHRACMPX-UHFFFAOYSA-N -1 3 381.400 0.472 20 50 GCGDHM COC(=O)COc1cccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736931668 944911880 /nfs/dbraw/zinc/91/18/80/944911880.db2.gz SGAJSENULDJOCN-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COC(=O)COc1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736931668 944911888 /nfs/dbraw/zinc/91/18/88/944911888.db2.gz SGAJSENULDJOCN-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736935709 944915184 /nfs/dbraw/zinc/91/51/84/944915184.db2.gz KUZLFLUTKCPBHR-GFCCVEGCSA-N -1 3 375.389 0.398 20 50 GCGDHM COC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736935709 944915192 /nfs/dbraw/zinc/91/51/92/944915192.db2.gz KUZLFLUTKCPBHR-GFCCVEGCSA-N -1 3 375.389 0.398 20 50 GCGDHM COCCOC1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737006260 944930607 /nfs/dbraw/zinc/93/06/07/944930607.db2.gz PZSOYTIPBIUFLM-UHFFFAOYSA-N -1 3 389.416 0.349 20 50 GCGDHM COCCOC1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737006260 944930617 /nfs/dbraw/zinc/93/06/17/944930617.db2.gz PZSOYTIPBIUFLM-UHFFFAOYSA-N -1 3 389.416 0.349 20 50 GCGDHM COc1ccc(C(=O)NCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737066719 944942128 /nfs/dbraw/zinc/94/21/28/944942128.db2.gz HRZJDSZYGXBPMV-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM COc1ccc(C(=O)NCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737066719 944942135 /nfs/dbraw/zinc/94/21/35/944942135.db2.gz HRZJDSZYGXBPMV-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM COc1cccc([C@@H](O)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737130796 944963240 /nfs/dbraw/zinc/96/32/40/944963240.db2.gz YGXGHHKRXFRXLF-HNNXBMFYSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1cccc([C@@H](O)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737130796 944963246 /nfs/dbraw/zinc/96/32/46/944963246.db2.gz YGXGHHKRXFRXLF-HNNXBMFYSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1cc[n-]c(=NNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737159086 944972482 /nfs/dbraw/zinc/97/24/82/944972482.db2.gz JRDFFHYLOUGPQY-CYBMUJFWSA-N -1 3 381.400 0.777 20 50 GCGDHM CS(=O)(=O)c1ccccc1NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737172860 944975157 /nfs/dbraw/zinc/97/51/57/944975157.db2.gz KUQXNZOCZVWNQW-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCOC[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000737211609 944987047 /nfs/dbraw/zinc/98/70/47/944987047.db2.gz DOMWZDZSKKCMBU-MEFZMRIGSA-N -1 3 399.455 0.980 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCOC[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000737211609 944987052 /nfs/dbraw/zinc/98/70/52/944987052.db2.gz DOMWZDZSKKCMBU-MEFZMRIGSA-N -1 3 399.455 0.980 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc(-c2nnn[n-]2)n1C ZINC000737211755 944989120 /nfs/dbraw/zinc/98/91/20/944989120.db2.gz FNECSPIAKVYWDS-PBTLCFMXSA-N -1 3 396.455 0.925 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc(-c2nn[n-]n2)n1C ZINC000737211755 944989125 /nfs/dbraw/zinc/98/91/25/944989125.db2.gz FNECSPIAKVYWDS-PBTLCFMXSA-N -1 3 396.455 0.925 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](n3cncn3)C2)cc(-c2nn[n-]n2)n1C ZINC000737212037 944990561 /nfs/dbraw/zinc/99/05/61/944990561.db2.gz GYCMXQOESNNOMZ-SXSSENBOSA-N -1 3 392.427 0.876 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@H]2CCCO2)cc(-c2nnn[n-]2)n1C ZINC000737212104 944990616 /nfs/dbraw/zinc/99/06/16/944990616.db2.gz HRPWYYZGGMWUBJ-UJMHRVFCSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@H]2CCCO2)cc(-c2nn[n-]n2)n1C ZINC000737212104 944990624 /nfs/dbraw/zinc/99/06/24/944990624.db2.gz HRPWYYZGGMWUBJ-UJMHRVFCSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2CCOC[C@H]2C)cc(-c2nn[n-]n2)n1C ZINC000737212165 944991376 /nfs/dbraw/zinc/99/13/76/944991376.db2.gz ICOOINRVZOZTKU-AZZDOICSSA-N -1 3 384.444 0.258 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)c2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000737212556 944994844 /nfs/dbraw/zinc/99/48/44/944994844.db2.gz KXPOBUOJVKRZDC-UUILKARUSA-N -1 3 380.368 0.580 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2nc(CC(N)=O)cs2)cc(-c2nnn[n-]2)n1C ZINC000737212768 944995330 /nfs/dbraw/zinc/99/53/30/944995330.db2.gz MDVDEDLWSYLWES-XCVCLJGOSA-N -1 3 397.424 0.544 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2nc(CC(N)=O)cs2)cc(-c2nn[n-]n2)n1C ZINC000737212768 944995336 /nfs/dbraw/zinc/99/53/36/944995336.db2.gz MDVDEDLWSYLWES-XCVCLJGOSA-N -1 3 397.424 0.544 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCN2CCCC2=O)cc(-c2nnn[n-]2)n1C ZINC000737213733 945006494 /nfs/dbraw/zinc/00/64/94/945006494.db2.gz WKTYPEQLQIIIHB-ZROIWOOFSA-N -1 3 382.428 0.501 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCN2CCCC2=O)cc(-c2nn[n-]n2)n1C ZINC000737213733 945006503 /nfs/dbraw/zinc/00/65/03/945006503.db2.gz WKTYPEQLQIIIHB-ZROIWOOFSA-N -1 3 382.428 0.501 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)Cc2ccsc2)cc(-c2nn[n-]n2)n1C ZINC000737213759 945009065 /nfs/dbraw/zinc/00/90/65/945009065.db2.gz WZABSDONWFBVQV-MLPAPPSSSA-N -1 3 396.436 0.872 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC000737236895 945016664 /nfs/dbraw/zinc/01/66/64/945016664.db2.gz UCRNYPNDNPRFFU-UHFFFAOYSA-N -1 3 384.356 0.366 20 50 GCGDHM Cc1cc(C)n2nc(NC(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)nc2n1 ZINC000737257333 945022717 /nfs/dbraw/zinc/02/27/17/945022717.db2.gz VSJZQNDCHJKNDT-UHFFFAOYSA-N -1 3 393.371 0.388 20 50 GCGDHM Cc1cc(C)n2nc(NC(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)nc2n1 ZINC000737257333 945022728 /nfs/dbraw/zinc/02/27/28/945022728.db2.gz VSJZQNDCHJKNDT-UHFFFAOYSA-N -1 3 393.371 0.388 20 50 GCGDHM C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820234273 945392738 /nfs/dbraw/zinc/39/27/38/945392738.db2.gz NAIQSSDVVKQVTN-RYUDHWBXSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820286625 945407302 /nfs/dbraw/zinc/40/73/02/945407302.db2.gz DDSZNLKTWRAPCK-GXFFZTMASA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820286625 945407307 /nfs/dbraw/zinc/40/73/07/945407307.db2.gz DDSZNLKTWRAPCK-GXFFZTMASA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nnc2n1CCCC2 ZINC000820373148 945435330 /nfs/dbraw/zinc/43/53/30/945435330.db2.gz FKLQZNNHBHQASP-JTQLQIEISA-N -1 3 396.415 0.500 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nnc2n1CCCC2 ZINC000820373148 945435347 /nfs/dbraw/zinc/43/53/47/945435347.db2.gz FKLQZNNHBHQASP-JTQLQIEISA-N -1 3 396.415 0.500 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374997 945439656 /nfs/dbraw/zinc/43/96/56/945439656.db2.gz VLCRNYRPOVECGX-SNVBAGLBSA-N -1 3 398.383 0.281 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374997 945439665 /nfs/dbraw/zinc/43/96/65/945439665.db2.gz VLCRNYRPOVECGX-SNVBAGLBSA-N -1 3 398.383 0.281 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=S)N[C@@H](C)C1CC1 ZINC000820541063 945479656 /nfs/dbraw/zinc/47/96/56/945479656.db2.gz AVYJKKXPKPAMBD-VHSXEESVSA-N -1 3 375.458 0.928 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=S)N[C@@H](C)C1CC1 ZINC000820541063 945479661 /nfs/dbraw/zinc/47/96/61/945479661.db2.gz AVYJKKXPKPAMBD-VHSXEESVSA-N -1 3 375.458 0.928 20 50 GCGDHM C[C@H]1CC/C(=C/C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820677163 945521250 /nfs/dbraw/zinc/52/12/50/945521250.db2.gz PRWSHQQRWAWXAX-AWPPVZKDSA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@H]1CC/C(=C/C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820677163 945521258 /nfs/dbraw/zinc/52/12/58/945521258.db2.gz PRWSHQQRWAWXAX-AWPPVZKDSA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@@H]1CC[C@H](CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820683603 945525144 /nfs/dbraw/zinc/52/51/44/945525144.db2.gz DKBZLOMBNSSMRQ-NEPJUHHUSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CC[C@H](CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820683603 945525152 /nfs/dbraw/zinc/52/51/52/945525152.db2.gz DKBZLOMBNSSMRQ-NEPJUHHUSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CC[C@@H](CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820683604 945525226 /nfs/dbraw/zinc/52/52/26/945525226.db2.gz DKBZLOMBNSSMRQ-NWDGAFQWSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CC[C@@H](CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820683604 945525231 /nfs/dbraw/zinc/52/52/31/945525231.db2.gz DKBZLOMBNSSMRQ-NWDGAFQWSA-N -1 3 386.412 0.997 20 50 GCGDHM CCC(=O)N1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000820837418 945564993 /nfs/dbraw/zinc/56/49/93/945564993.db2.gz ISMMJUXIVOISFB-WTWVRAIASA-N -1 3 382.428 0.548 20 50 GCGDHM CCC(=O)N1CC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000820837418 945565005 /nfs/dbraw/zinc/56/50/05/945565005.db2.gz ISMMJUXIVOISFB-WTWVRAIASA-N -1 3 382.428 0.548 20 50 GCGDHM CCCCO[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821072668 945631069 /nfs/dbraw/zinc/63/10/69/945631069.db2.gz VMXJWRPGUMDIQS-LLVKDONJSA-N -1 3 390.400 0.376 20 50 GCGDHM CCCCO[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821072668 945631072 /nfs/dbraw/zinc/63/10/72/945631072.db2.gz VMXJWRPGUMDIQS-LLVKDONJSA-N -1 3 390.400 0.376 20 50 GCGDHM CCc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821470041 945702817 /nfs/dbraw/zinc/70/28/17/945702817.db2.gz LBXUZPMNVHEWKZ-UHFFFAOYSA-N -1 3 398.379 0.949 20 50 GCGDHM CCc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821470041 945702820 /nfs/dbraw/zinc/70/28/20/945702820.db2.gz LBXUZPMNVHEWKZ-UHFFFAOYSA-N -1 3 398.379 0.949 20 50 GCGDHM CN(CCOC(C)(C)C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821603522 945741043 /nfs/dbraw/zinc/74/10/43/945741043.db2.gz BXZJFDPSODMPBR-UHFFFAOYSA-N -1 3 375.433 0.375 20 50 GCGDHM CN(CCOC(C)(C)C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821603522 945741051 /nfs/dbraw/zinc/74/10/51/945741051.db2.gz BXZJFDPSODMPBR-UHFFFAOYSA-N -1 3 375.433 0.375 20 50 GCGDHM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000821620770 945750479 /nfs/dbraw/zinc/75/04/79/945750479.db2.gz VAOYMIJMXAEQDP-DIFFPNOSSA-N -1 3 399.415 0.213 20 50 GCGDHM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000821620770 945750485 /nfs/dbraw/zinc/75/04/85/945750485.db2.gz VAOYMIJMXAEQDP-DIFFPNOSSA-N -1 3 399.415 0.213 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000821645420 945772378 /nfs/dbraw/zinc/77/23/78/945772378.db2.gz ZDOAPMVSKCLAIT-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000821645420 945772384 /nfs/dbraw/zinc/77/23/84/945772384.db2.gz ZDOAPMVSKCLAIT-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000821645421 945772594 /nfs/dbraw/zinc/77/25/94/945772594.db2.gz ZDOAPMVSKCLAIT-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000821645421 945772599 /nfs/dbraw/zinc/77/25/99/945772599.db2.gz ZDOAPMVSKCLAIT-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@]1(C)CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821651627 945777318 /nfs/dbraw/zinc/77/73/18/945777318.db2.gz CQQLSZNHUFJLBX-MEVIEEELSA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)[C@]1(C)CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821651627 945777324 /nfs/dbraw/zinc/77/73/24/945777324.db2.gz CQQLSZNHUFJLBX-MEVIEEELSA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)C1(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000821653808 945779394 /nfs/dbraw/zinc/77/93/94/945779394.db2.gz LRUKYZAKGXYEHW-UHFFFAOYSA-N -1 3 387.400 0.544 20 50 GCGDHM COC(=O)C1(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000821653808 945779400 /nfs/dbraw/zinc/77/94/00/945779400.db2.gz LRUKYZAKGXYEHW-UHFFFAOYSA-N -1 3 387.400 0.544 20 50 GCGDHM COC(=O)[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C[C@@H]1C ZINC000821655090 945779748 /nfs/dbraw/zinc/77/97/48/945779748.db2.gz FCBPJANWKARLLO-XVWNYGFKSA-N -1 3 383.412 0.688 20 50 GCGDHM COC(=O)[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C[C@@H]1C ZINC000821655090 945779755 /nfs/dbraw/zinc/77/97/55/945779755.db2.gz FCBPJANWKARLLO-XVWNYGFKSA-N -1 3 383.412 0.688 20 50 GCGDHM COC(=O)C[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCO1 ZINC000821659309 945783320 /nfs/dbraw/zinc/78/33/20/945783320.db2.gz YSNLCJFSPHAJIY-CNTYAEFGSA-N -1 3 399.411 0.211 20 50 GCGDHM COC(=O)C[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCO1 ZINC000821659309 945783325 /nfs/dbraw/zinc/78/33/25/945783325.db2.gz YSNLCJFSPHAJIY-CNTYAEFGSA-N -1 3 399.411 0.211 20 50 GCGDHM COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000821667005 945788555 /nfs/dbraw/zinc/78/85/55/945788555.db2.gz PTCOUHBLTXHMSO-UHFFFAOYSA-N -1 3 383.368 0.673 20 50 GCGDHM COC(=O)c1[nH]c(C)c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000821667005 945788565 /nfs/dbraw/zinc/78/85/65/945788565.db2.gz PTCOUHBLTXHMSO-UHFFFAOYSA-N -1 3 383.368 0.673 20 50 GCGDHM COCCN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821688941 945816859 /nfs/dbraw/zinc/81/68/59/945816859.db2.gz DVKQUUSNPOTVRL-UHFFFAOYSA-N -1 3 389.460 0.509 20 50 GCGDHM COCCN(CC(=O)NNC(=O)C(C)(C)C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821688941 945816868 /nfs/dbraw/zinc/81/68/68/945816868.db2.gz DVKQUUSNPOTVRL-UHFFFAOYSA-N -1 3 389.460 0.509 20 50 GCGDHM COCCOC[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821692363 945823052 /nfs/dbraw/zinc/82/30/52/945823052.db2.gz VSMLXPAXVHLDQW-GFCCVEGCSA-N -1 3 389.416 0.206 20 50 GCGDHM COCCOC[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821692363 945823061 /nfs/dbraw/zinc/82/30/61/945823061.db2.gz VSMLXPAXVHLDQW-GFCCVEGCSA-N -1 3 389.416 0.206 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821692359 945824571 /nfs/dbraw/zinc/82/45/71/945824571.db2.gz VSDQJZFDAQIBKH-MNOVXSKESA-N -1 3 377.405 0.310 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821692359 945824587 /nfs/dbraw/zinc/82/45/87/945824587.db2.gz VSDQJZFDAQIBKH-MNOVXSKESA-N -1 3 377.405 0.310 20 50 GCGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNC(=O)Cc1ccccc1C ZINC000821701637 945835398 /nfs/dbraw/zinc/83/53/98/945835398.db2.gz XEKMASRFCNXIQX-UHFFFAOYSA-N -1 3 396.407 0.953 20 50 GCGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNC(=O)Cc1ccccc1C ZINC000821701637 945835410 /nfs/dbraw/zinc/83/54/10/945835410.db2.gz XEKMASRFCNXIQX-UHFFFAOYSA-N -1 3 396.407 0.953 20 50 GCGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNC(=O)Cc1ccncc1 ZINC000821701309 945836960 /nfs/dbraw/zinc/83/69/60/945836960.db2.gz KEKUHVHXBQDVRU-UHFFFAOYSA-N -1 3 383.368 0.039 20 50 GCGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNC(=O)Cc1ccncc1 ZINC000821701309 945836970 /nfs/dbraw/zinc/83/69/70/945836970.db2.gz KEKUHVHXBQDVRU-UHFFFAOYSA-N -1 3 383.368 0.039 20 50 GCGDHM COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821717756 945847537 /nfs/dbraw/zinc/84/75/37/945847537.db2.gz XNSGWBDTIXHZPS-UHFFFAOYSA-N -1 3 375.776 0.942 20 50 GCGDHM COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821717756 945847547 /nfs/dbraw/zinc/84/75/47/945847547.db2.gz XNSGWBDTIXHZPS-UHFFFAOYSA-N -1 3 375.776 0.942 20 50 GCGDHM COc1ccc(NCC(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821835585 945881294 /nfs/dbraw/zinc/88/12/94/945881294.db2.gz NIXKCUOTGQUZED-UHFFFAOYSA-N -1 3 381.396 0.677 20 50 GCGDHM COc1ccc(NCC(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821835585 945881307 /nfs/dbraw/zinc/88/13/07/945881307.db2.gz NIXKCUOTGQUZED-UHFFFAOYSA-N -1 3 381.396 0.677 20 50 GCGDHM COc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821859488 945888441 /nfs/dbraw/zinc/88/84/41/945888441.db2.gz OVANKVRSGRSIAA-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821859488 945888448 /nfs/dbraw/zinc/88/84/48/945888448.db2.gz OVANKVRSGRSIAA-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM C[S@@](=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821941727 945906840 /nfs/dbraw/zinc/90/68/40/945906840.db2.gz IMDVIZYTCRCZRR-MUUNZHRXSA-N -1 3 399.436 0.748 20 50 GCGDHM C[S@@](=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821941727 945906844 /nfs/dbraw/zinc/90/68/44/945906844.db2.gz IMDVIZYTCRCZRR-MUUNZHRXSA-N -1 3 399.436 0.748 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCn2cnnc2C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027088 945928974 /nfs/dbraw/zinc/92/89/74/945928974.db2.gz CXZVZIOLRUGOKX-AUWJEWJLSA-N -1 3 394.443 0.952 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCn2cnnc2C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027088 945928981 /nfs/dbraw/zinc/92/89/81/945928981.db2.gz CXZVZIOLRUGOKX-AUWJEWJLSA-N -1 3 394.443 0.952 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1C ZINC000822027810 945936135 /nfs/dbraw/zinc/93/61/35/945936135.db2.gz JOQKOKKXQFRCCO-XLVZXTRVSA-N -1 3 380.412 0.300 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1C ZINC000822027810 945936146 /nfs/dbraw/zinc/93/61/46/945936146.db2.gz JOQKOKKXQFRCCO-XLVZXTRVSA-N -1 3 380.412 0.300 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1C ZINC000822027812 945937156 /nfs/dbraw/zinc/93/71/56/945937156.db2.gz JOQKOKKXQFRCCO-YQJFHSMKSA-N -1 3 380.412 0.300 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1C ZINC000822027812 945937164 /nfs/dbraw/zinc/93/71/64/945937164.db2.gz JOQKOKKXQFRCCO-YQJFHSMKSA-N -1 3 380.412 0.300 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000822028829 945949870 /nfs/dbraw/zinc/94/98/70/945949870.db2.gz SKRWMZBCGGEPON-CNTYAEFGSA-N -1 3 396.455 0.936 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000822028829 945949879 /nfs/dbraw/zinc/94/98/79/945949879.db2.gz SKRWMZBCGGEPON-CNTYAEFGSA-N -1 3 396.455 0.936 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2C(=S)N=NC2C)cc(-c2nnn[n-]2)n1C ZINC000822029006 945950095 /nfs/dbraw/zinc/95/00/95/945950095.db2.gz UGYXYBJNVQUITG-WUXMJOGZSA-N -1 3 398.456 0.426 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2C(=S)N=NC2C)cc(-c2nn[n-]n2)n1C ZINC000822029006 945950103 /nfs/dbraw/zinc/95/01/03/945950103.db2.gz UGYXYBJNVQUITG-WUXMJOGZSA-N -1 3 398.456 0.426 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)oc1C ZINC000822183561 945971792 /nfs/dbraw/zinc/97/17/92/945971792.db2.gz HTMMUMAAPFJSSW-UHFFFAOYSA-N -1 3 384.352 0.695 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)oc1C ZINC000822183561 945971801 /nfs/dbraw/zinc/97/18/01/945971801.db2.gz HTMMUMAAPFJSSW-UHFFFAOYSA-N -1 3 384.352 0.695 20 50 GCGDHM Cc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822194092 945977927 /nfs/dbraw/zinc/97/79/27/945977927.db2.gz IGLRXSLEDYQCIQ-UHFFFAOYSA-N -1 3 384.352 0.695 20 50 GCGDHM Cc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822194092 945977932 /nfs/dbraw/zinc/97/79/32/945977932.db2.gz IGLRXSLEDYQCIQ-UHFFFAOYSA-N -1 3 384.352 0.695 20 50 GCGDHM Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822197786 945981999 /nfs/dbraw/zinc/98/19/99/945981999.db2.gz PHABQGDVWXNOFK-GFCCVEGCSA-N -1 3 383.416 0.772 20 50 GCGDHM Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822197786 945982006 /nfs/dbraw/zinc/98/20/06/945982006.db2.gz PHABQGDVWXNOFK-GFCCVEGCSA-N -1 3 383.416 0.772 20 50 GCGDHM Cc1cc(C[C@@H](C)NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)[nH]n1 ZINC000822199819 945984548 /nfs/dbraw/zinc/98/45/48/945984548.db2.gz IZESDWQICOPVOM-SNVBAGLBSA-N -1 3 399.415 0.239 20 50 GCGDHM Cc1cc(F)cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822203232 945988176 /nfs/dbraw/zinc/98/81/76/945988176.db2.gz KBPXYJJEEUEBQY-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cc(F)cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822203232 945988181 /nfs/dbraw/zinc/98/81/81/945988181.db2.gz KBPXYJJEEUEBQY-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822227792 946008484 /nfs/dbraw/zinc/00/84/84/946008484.db2.gz WFCWOXKGSKDUGW-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822227792 946008498 /nfs/dbraw/zinc/00/84/98/946008498.db2.gz WFCWOXKGSKDUGW-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000822227287 946008667 /nfs/dbraw/zinc/00/86/67/946008667.db2.gz CDMADRZZGJGFFV-UHFFFAOYSA-N -1 3 395.379 0.497 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000822227287 946008679 /nfs/dbraw/zinc/00/86/79/946008679.db2.gz CDMADRZZGJGFFV-UHFFFAOYSA-N -1 3 395.379 0.497 20 50 GCGDHM Cc1ccc(CCC(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822235136 946021089 /nfs/dbraw/zinc/02/10/89/946021089.db2.gz VCVPXVIQKJSXPV-UHFFFAOYSA-N -1 3 398.379 0.705 20 50 GCGDHM Cc1ccc(CCC(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822235136 946021098 /nfs/dbraw/zinc/02/10/98/946021098.db2.gz VCVPXVIQKJSXPV-UHFFFAOYSA-N -1 3 398.379 0.705 20 50 GCGDHM Cc1cccc([C@H](O)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822289079 946044235 /nfs/dbraw/zinc/04/42/35/946044235.db2.gz QXPFVJRUBGYWCQ-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1cccc([C@H](O)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822289079 946044249 /nfs/dbraw/zinc/04/42/49/946044249.db2.gz QXPFVJRUBGYWCQ-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1F ZINC000822289156 946045444 /nfs/dbraw/zinc/04/54/44/946045444.db2.gz SPQRGLJIGMRUKO-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1F ZINC000822289156 946045455 /nfs/dbraw/zinc/04/54/55/946045455.db2.gz SPQRGLJIGMRUKO-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1N ZINC000822288879 946046827 /nfs/dbraw/zinc/04/68/27/946046827.db2.gz LXLODDNMQMNMHU-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1N ZINC000822288879 946046838 /nfs/dbraw/zinc/04/68/38/946046838.db2.gz LXLODDNMQMNMHU-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1cccc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822303818 946048323 /nfs/dbraw/zinc/04/83/23/946048323.db2.gz KONDBNAZOOZVIY-UHFFFAOYSA-N -1 3 380.412 0.463 20 50 GCGDHM Cc1cccc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822303818 946048331 /nfs/dbraw/zinc/04/83/31/946048331.db2.gz KONDBNAZOOZVIY-UHFFFAOYSA-N -1 3 380.412 0.463 20 50 GCGDHM Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822293880 946049077 /nfs/dbraw/zinc/04/90/77/946049077.db2.gz PZUOQAPQSGALJD-UHFFFAOYSA-N -1 3 379.380 0.883 20 50 GCGDHM Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822293880 946049089 /nfs/dbraw/zinc/04/90/89/946049089.db2.gz PZUOQAPQSGALJD-UHFFFAOYSA-N -1 3 379.380 0.883 20 50 GCGDHM Cc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822345135 946061130 /nfs/dbraw/zinc/06/11/30/946061130.db2.gz FUFJBLDXVWZWMJ-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822345135 946061142 /nfs/dbraw/zinc/06/11/42/946061142.db2.gz FUFJBLDXVWZWMJ-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1nc(CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000822436693 946090156 /nfs/dbraw/zinc/09/01/56/946090156.db2.gz PLJUTVJIRVVGLQ-UHFFFAOYSA-N -1 3 387.425 0.709 20 50 GCGDHM Cc1nc2n(n1)CCN(C(=O)C(C#N)=Cc1cc(-c3nnn[n-]3)n(C)c1C)C2 ZINC000822461854 946098251 /nfs/dbraw/zinc/09/82/51/946098251.db2.gz ATUQZFZDWMPHON-MLPAPPSSSA-N -1 3 378.400 0.363 20 50 GCGDHM Cc1nc2n(n1)CCN(C(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)C2 ZINC000822461854 946098262 /nfs/dbraw/zinc/09/82/62/946098262.db2.gz ATUQZFZDWMPHON-MLPAPPSSSA-N -1 3 378.400 0.363 20 50 GCGDHM Cc1nn(C)c(C)c1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822491536 946102461 /nfs/dbraw/zinc/10/24/61/946102461.db2.gz CKQKCHNKMNGZHC-UHFFFAOYSA-N -1 3 399.415 0.126 20 50 GCGDHM Cn1cc(C(=O)C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000822668696 946149129 /nfs/dbraw/zinc/14/91/29/946149129.db2.gz DJONVYFHXKKFDL-UHFFFAOYSA-N -1 3 380.290 0.945 20 50 GCGDHM Cn1cc(C(=O)C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000822668696 946149134 /nfs/dbraw/zinc/14/91/34/946149134.db2.gz DJONVYFHXKKFDL-UHFFFAOYSA-N -1 3 380.290 0.945 20 50 GCGDHM Cn1cc([C@@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822674346 946153443 /nfs/dbraw/zinc/15/34/43/946153443.db2.gz QXRXBEJZDQGGBE-HNNXBMFYSA-N -1 3 395.427 0.198 20 50 GCGDHM Cn1cc([C@@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822674346 946153450 /nfs/dbraw/zinc/15/34/50/946153450.db2.gz QXRXBEJZDQGGBE-HNNXBMFYSA-N -1 3 395.427 0.198 20 50 GCGDHM Cn1cc([C@@H]2CCCN2CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822674625 946155663 /nfs/dbraw/zinc/15/56/63/946155663.db2.gz YGWIIHZACXNJQC-HNNXBMFYSA-N -1 3 395.427 0.198 20 50 GCGDHM Cn1cc([C@@H]2CCCN2CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822674625 946155666 /nfs/dbraw/zinc/15/56/66/946155666.db2.gz YGWIIHZACXNJQC-HNNXBMFYSA-N -1 3 395.427 0.198 20 50 GCGDHM Cn1cc(N2CCC[C@H](NC(=O)NNc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000822680452 946155966 /nfs/dbraw/zinc/15/59/66/946155966.db2.gz OOGNZNLKTDKNIX-AWEZNQCLSA-N -1 3 382.432 0.895 20 50 GCGDHM Cn1cc(N2CCC[C@H](NC(=O)NNc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000822680452 946155971 /nfs/dbraw/zinc/15/59/71/946155971.db2.gz OOGNZNLKTDKNIX-AWEZNQCLSA-N -1 3 382.432 0.895 20 50 GCGDHM N#Cc1cccc(CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837621 946201088 /nfs/dbraw/zinc/20/10/88/946201088.db2.gz PPIFCFDLMAWULE-UHFFFAOYSA-N -1 3 377.364 0.507 20 50 GCGDHM N#Cc1ccsc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822842755 946201936 /nfs/dbraw/zinc/20/19/36/946201936.db2.gz XFMYLIHVNTXUQO-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM N#Cc1ccsc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822842755 946201942 /nfs/dbraw/zinc/20/19/42/946201942.db2.gz XFMYLIHVNTXUQO-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM N#Cc1csc(C=NNC(=O)C(=O)NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822845804 946203451 /nfs/dbraw/zinc/20/34/51/946203451.db2.gz IBUUHUNMAFCING-UHFFFAOYSA-N -1 3 399.421 0.462 20 50 GCGDHM N#Cc1csc(C=NNC(=O)C(=O)NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822845804 946203457 /nfs/dbraw/zinc/20/34/57/946203457.db2.gz IBUUHUNMAFCING-UHFFFAOYSA-N -1 3 399.421 0.462 20 50 GCGDHM NC(=O)COc1ccc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822868492 946206232 /nfs/dbraw/zinc/20/62/32/946206232.db2.gz AEIGOWKFCBPJPD-UHFFFAOYSA-N -1 3 395.379 0.260 20 50 GCGDHM Nc1ccc(F)cc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822907250 946216230 /nfs/dbraw/zinc/21/62/30/946216230.db2.gz DFYCVYPVMNKTOA-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM Nc1ccc(F)cc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822907250 946216236 /nfs/dbraw/zinc/21/62/36/946216236.db2.gz DFYCVYPVMNKTOA-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNC(=O)Cc1cn2ccccc2n1 ZINC000822929391 946220870 /nfs/dbraw/zinc/22/08/70/946220870.db2.gz UAVPLWMROLZHKT-CMDGGOBGSA-N -1 3 388.391 0.918 20 50 GCGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNC(=O)Cc1cn2ccccc2n1 ZINC000822929391 946220881 /nfs/dbraw/zinc/22/08/81/946220881.db2.gz UAVPLWMROLZHKT-CMDGGOBGSA-N -1 3 388.391 0.918 20 50 GCGDHM O=C(CN1CCC(C(F)F)CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822992143 946250203 /nfs/dbraw/zinc/25/02/03/946250203.db2.gz JNIFAFLPRKKQBQ-UHFFFAOYSA-N -1 3 379.371 0.605 20 50 GCGDHM O=C(CN1CCC(C(F)F)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822992143 946250212 /nfs/dbraw/zinc/25/02/12/946250212.db2.gz JNIFAFLPRKKQBQ-UHFFFAOYSA-N -1 3 379.371 0.605 20 50 GCGDHM O=C(CN1CCC[C@H](C(F)(F)F)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822996308 946255341 /nfs/dbraw/zinc/25/53/41/946255341.db2.gz BPTBRVUHYVUTPO-LBPRGKRZSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(CN1CCC[C@H](C(F)(F)F)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822996308 946255349 /nfs/dbraw/zinc/25/53/49/946255349.db2.gz BPTBRVUHYVUTPO-LBPRGKRZSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(CN1CCO[C@H](c2ccco2)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823001550 946262810 /nfs/dbraw/zinc/26/28/10/946262810.db2.gz MFHMUICQPYONAD-HNNXBMFYSA-N -1 3 397.395 0.294 20 50 GCGDHM O=C(CN1CCO[C@H](c2ccco2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823001550 946262818 /nfs/dbraw/zinc/26/28/18/946262818.db2.gz MFHMUICQPYONAD-HNNXBMFYSA-N -1 3 397.395 0.294 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1ccc([N+](=O)[O-])cc1 ZINC000823005066 946262936 /nfs/dbraw/zinc/26/29/36/946262936.db2.gz AHBJXLOYGFIFTK-UHFFFAOYSA-N -1 3 382.340 0.648 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1ccc([N+](=O)[O-])cc1 ZINC000823005066 946262945 /nfs/dbraw/zinc/26/29/45/946262945.db2.gz AHBJXLOYGFIFTK-UHFFFAOYSA-N -1 3 382.340 0.648 20 50 GCGDHM O=C(CNC(=O)c1cccnc1)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823005209 946263162 /nfs/dbraw/zinc/26/31/62/946263162.db2.gz HLTPDYLMFMTJPH-UHFFFAOYSA-N -1 3 390.407 0.848 20 50 GCGDHM O=C(CNC(=O)c1cccnc1)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823005209 946263175 /nfs/dbraw/zinc/26/31/75/946263175.db2.gz HLTPDYLMFMTJPH-UHFFFAOYSA-N -1 3 390.407 0.848 20 50 GCGDHM O=C(COC(=O)Cc1ccc(O)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018117 946270268 /nfs/dbraw/zinc/27/02/68/946270268.db2.gz HTKKNXUQVCLYFP-UHFFFAOYSA-N -1 3 396.363 0.119 20 50 GCGDHM O=C(COC(=O)Cc1ccc(O)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018117 946270279 /nfs/dbraw/zinc/27/02/79/946270279.db2.gz HTKKNXUQVCLYFP-UHFFFAOYSA-N -1 3 396.363 0.119 20 50 GCGDHM O=C(C=Cc1ccco1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018356 946270588 /nfs/dbraw/zinc/27/05/88/946270588.db2.gz LMRQXZOVERIDGR-FPLPWBNLSA-N -1 3 382.336 0.477 20 50 GCGDHM O=C(C=Cc1ccco1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018356 946270597 /nfs/dbraw/zinc/27/05/97/946270597.db2.gz LMRQXZOVERIDGR-FPLPWBNLSA-N -1 3 382.336 0.477 20 50 GCGDHM O=C(COC(=O)CCc1ccccn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018383 946272495 /nfs/dbraw/zinc/27/24/95/946272495.db2.gz LRVKZJUAFYFWBW-UHFFFAOYSA-N -1 3 395.379 0.199 20 50 GCGDHM O=C(COC(=O)CCc1ccccn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018383 946272499 /nfs/dbraw/zinc/27/24/99/946272499.db2.gz LRVKZJUAFYFWBW-UHFFFAOYSA-N -1 3 395.379 0.199 20 50 GCGDHM O=C(COC(=O)CCn1cccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018512 946273564 /nfs/dbraw/zinc/27/35/64/946273564.db2.gz QAFWYRGUJLQOJU-UHFFFAOYSA-N -1 3 383.368 0.063 20 50 GCGDHM O=C(COC(=O)CCn1cccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018512 946273576 /nfs/dbraw/zinc/27/35/76/946273576.db2.gz QAFWYRGUJLQOJU-UHFFFAOYSA-N -1 3 383.368 0.063 20 50 GCGDHM O=C(COC(=O)[C@@H]1Cc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018432 946273980 /nfs/dbraw/zinc/27/39/80/946273980.db2.gz NOOJCOSTKRXXCA-OAHLLOKOSA-N -1 3 392.375 0.511 20 50 GCGDHM O=C(COC(=O)[C@@H]1Cc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018432 946273990 /nfs/dbraw/zinc/27/39/90/946273990.db2.gz NOOJCOSTKRXXCA-OAHLLOKOSA-N -1 3 392.375 0.511 20 50 GCGDHM O=C(COC(=O)CSC(F)F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018747 946275823 /nfs/dbraw/zinc/27/58/23/946275823.db2.gz XBIAZIQCBSNJLJ-UHFFFAOYSA-N -1 3 386.340 0.127 20 50 GCGDHM O=C(COC(=O)CSC(F)F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018747 946275838 /nfs/dbraw/zinc/27/58/38/946275838.db2.gz XBIAZIQCBSNJLJ-UHFFFAOYSA-N -1 3 386.340 0.127 20 50 GCGDHM O=C(COC(=O)[C@H]1CC1(Cl)Cl)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018847 946276324 /nfs/dbraw/zinc/27/63/24/946276324.db2.gz YYOBYDKKTRPMIQ-SECBINFHSA-N -1 3 399.194 0.365 20 50 GCGDHM O=C(COC(=O)[C@H]1CC1(Cl)Cl)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018847 946276332 /nfs/dbraw/zinc/27/63/32/946276332.db2.gz YYOBYDKKTRPMIQ-SECBINFHSA-N -1 3 399.194 0.365 20 50 GCGDHM O=C(COC(=O)c1ccccc1F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823026755 946280837 /nfs/dbraw/zinc/28/08/37/946280837.db2.gz FDJJLCCUQVBVDM-UHFFFAOYSA-N -1 3 384.327 0.624 20 50 GCGDHM O=C(COC(=O)c1ccccc1F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823026755 946280845 /nfs/dbraw/zinc/28/08/45/946280845.db2.gz FDJJLCCUQVBVDM-UHFFFAOYSA-N -1 3 384.327 0.624 20 50 GCGDHM O=C(COC(=O)c1ccncc1F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823027159 946281485 /nfs/dbraw/zinc/28/14/85/946281485.db2.gz OHQWAKYPDCBBEZ-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COC(=O)c1ccncc1F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823027159 946281493 /nfs/dbraw/zinc/28/14/93/946281493.db2.gz OHQWAKYPDCBBEZ-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COC(=O)c1ccc(Cl)o1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823027530 946283103 /nfs/dbraw/zinc/28/31/03/946283103.db2.gz WDXZTMPXDLCNOY-UHFFFAOYSA-N -1 3 390.743 0.731 20 50 GCGDHM O=C(COC(=O)c1ccc(Cl)o1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823027530 946283114 /nfs/dbraw/zinc/28/31/14/946283114.db2.gz WDXZTMPXDLCNOY-UHFFFAOYSA-N -1 3 390.743 0.731 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NC[C@H]1CCCS1 ZINC000823036539 946285095 /nfs/dbraw/zinc/28/50/95/946285095.db2.gz GEHHNLYOMJHNDP-GFCCVEGCSA-N -1 3 377.430 0.472 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000823050135 946297500 /nfs/dbraw/zinc/29/75/00/946297500.db2.gz QRIVMZUQZJRLQM-GFCCVEGCSA-N -1 3 397.399 0.377 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000823050135 946297510 /nfs/dbraw/zinc/29/75/10/946297510.db2.gz QRIVMZUQZJRLQM-GFCCVEGCSA-N -1 3 397.399 0.377 20 50 GCGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000823103963 946312679 /nfs/dbraw/zinc/31/26/79/946312679.db2.gz PCGLKSHVCQEFFL-UHFFFAOYSA-N -1 3 390.363 0.519 20 50 GCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000823103963 946312685 /nfs/dbraw/zinc/31/26/85/946312685.db2.gz PCGLKSHVCQEFFL-UHFFFAOYSA-N -1 3 390.363 0.519 20 50 GCGDHM O=C(NCc1ccn2ccnc2c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823261351 946361605 /nfs/dbraw/zinc/36/16/05/946361605.db2.gz IGKYNMBMAYRMBY-UHFFFAOYSA-N -1 3 377.368 0.659 20 50 GCGDHM O=C(NCc1ccn2ccnc2c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823261351 946361615 /nfs/dbraw/zinc/36/16/15/946361615.db2.gz IGKYNMBMAYRMBY-UHFFFAOYSA-N -1 3 377.368 0.659 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@H](Oc2ccccn2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277042 946395352 /nfs/dbraw/zinc/39/53/52/946395352.db2.gz CTUAYHDCRDDOPU-CQSZACIVSA-N -1 3 394.395 0.769 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@H](Oc2ccccn2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277042 946395361 /nfs/dbraw/zinc/39/53/61/946395361.db2.gz CTUAYHDCRDDOPU-CQSZACIVSA-N -1 3 394.395 0.769 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277487 946401521 /nfs/dbraw/zinc/40/15/21/946401521.db2.gz NUCDMXAQKMPKRL-UONOGXRCSA-N -1 3 387.400 0.101 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277487 946401525 /nfs/dbraw/zinc/40/15/25/946401525.db2.gz NUCDMXAQKMPKRL-UONOGXRCSA-N -1 3 387.400 0.101 20 50 GCGDHM C=CCC1(O)CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573329602 947422689 /nfs/dbraw/zinc/42/26/89/947422689.db2.gz LKQRZOXWBZMFBY-UHFFFAOYSA-N -1 3 385.428 0.031 20 50 GCGDHM C=CCC1(O)CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573329602 947422698 /nfs/dbraw/zinc/42/26/98/947422698.db2.gz LKQRZOXWBZMFBY-UHFFFAOYSA-N -1 3 385.428 0.031 20 50 GCGDHM CS(=O)(=O)c1cccc(NNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826224211 947661710 /nfs/dbraw/zinc/66/17/10/947661710.db2.gz USNAVXUINIDTSL-UHFFFAOYSA-N -1 3 388.413 0.220 20 50 GCGDHM CS(=O)(=O)c1cccc(NNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826224211 947661721 /nfs/dbraw/zinc/66/17/21/947661721.db2.gz USNAVXUINIDTSL-UHFFFAOYSA-N -1 3 388.413 0.220 20 50 GCGDHM CS[C@H](CO)[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826225589 947665295 /nfs/dbraw/zinc/66/52/95/947665295.db2.gz FNUJALXLPABATO-KSOQXRHSSA-N -1 3 375.458 0.649 20 50 GCGDHM CS[C@H](CO)[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826225589 947665300 /nfs/dbraw/zinc/66/53/00/947665300.db2.gz FNUJALXLPABATO-KSOQXRHSSA-N -1 3 375.458 0.649 20 50 GCGDHM Cc1csc2ncc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)c(=O)n12 ZINC000826321178 947941506 /nfs/dbraw/zinc/94/15/06/947941506.db2.gz TYQXCMZDNBKGPC-UHFFFAOYSA-N -1 3 396.392 0.319 20 50 GCGDHM Cc1onc(CC(=O)NNC(=O)c2ccc3ccccc3n2)c1-c1nnn[n-]1 ZINC000826348628 948077470 /nfs/dbraw/zinc/07/74/70/948077470.db2.gz WFXVKPWKQABWBB-UHFFFAOYSA-N -1 3 378.352 0.715 20 50 GCGDHM O=C(Cn1cnc(-c2ccccc2)n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826425083 948274280 /nfs/dbraw/zinc/27/42/80/948274280.db2.gz OYDKEYAOHPPPPV-UHFFFAOYSA-N -1 3 389.379 0.586 20 50 GCGDHM O=C(Cn1cnc(-c2ccccc2)n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826425083 948274291 /nfs/dbraw/zinc/27/42/91/948274291.db2.gz OYDKEYAOHPPPPV-UHFFFAOYSA-N -1 3 389.379 0.586 20 50 GCGDHM CC(C)(C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCCO1 ZINC001573783196 949147075 /nfs/dbraw/zinc/14/70/75/949147075.db2.gz XLNAGYFSFAPXIM-AWEZNQCLSA-N -1 3 388.428 0.988 20 50 GCGDHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001576218974 950799408 /nfs/dbraw/zinc/79/94/08/950799408.db2.gz SAQKQADOVOPDOZ-QLJPJBMISA-N -1 3 396.411 0.482 20 50 GCGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000824039233 607334870 /nfs/dbraw/zinc/33/48/70/607334870.db2.gz CSBLDFOGUYYVND-SWHYSGLUSA-N -1 3 383.412 0.874 20 50 GCGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000824039233 607334873 /nfs/dbraw/zinc/33/48/73/607334873.db2.gz CSBLDFOGUYYVND-SWHYSGLUSA-N -1 3 383.412 0.874 20 50 GCGDHM CCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825663087 607335576 /nfs/dbraw/zinc/33/55/76/607335576.db2.gz IHBDUYWFUVAABH-GFCCVEGCSA-N -1 3 379.446 0.372 20 50 GCGDHM CCS(=O)(=O)N1CCC[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825663087 607335578 /nfs/dbraw/zinc/33/55/78/607335578.db2.gz IHBDUYWFUVAABH-GFCCVEGCSA-N -1 3 379.446 0.372 20 50 GCGDHM O=C(CCNS(=O)(=O)c1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408188 607336314 /nfs/dbraw/zinc/33/63/14/607336314.db2.gz TZJQJEQGQYGWPM-UHFFFAOYSA-N -1 3 387.425 0.678 20 50 GCGDHM O=C(CCNS(=O)(=O)c1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408188 607336316 /nfs/dbraw/zinc/33/63/16/607336316.db2.gz TZJQJEQGQYGWPM-UHFFFAOYSA-N -1 3 387.425 0.678 20 50 GCGDHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826327301 607340924 /nfs/dbraw/zinc/34/09/24/607340924.db2.gz BIUGASPWLCANEL-UHFFFAOYSA-N -1 3 393.411 0.744 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000826479186 607342611 /nfs/dbraw/zinc/34/26/11/607342611.db2.gz SMWIIZFHHUMSMC-AWEZNQCLSA-N -1 3 391.391 0.829 20 50 GCGDHM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825341946 607345416 /nfs/dbraw/zinc/34/54/16/607345416.db2.gz NAQLXBGULPJGKA-CQSZACIVSA-N -1 3 393.473 0.904 20 50 GCGDHM O=C(CNC(=O)NCc1ccc(F)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826411814 607345857 /nfs/dbraw/zinc/34/58/57/607345857.db2.gz OPRZYIDXYRMYIJ-UHFFFAOYSA-N -1 3 384.375 0.948 20 50 GCGDHM O=C(Cn1nc(-c2ccccc2)oc1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826425703 607350579 /nfs/dbraw/zinc/35/05/79/607350579.db2.gz PLUZWCYQAQKRSR-UHFFFAOYSA-N -1 3 378.352 0.827 20 50 GCGDHM O=C(CCNS(=O)(=O)c1cccnc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408120 607351902 /nfs/dbraw/zinc/35/19/02/607351902.db2.gz QHIPXHNITXVQRM-UHFFFAOYSA-N -1 3 388.413 0.073 20 50 GCGDHM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824304546 607353425 /nfs/dbraw/zinc/35/34/25/607353425.db2.gz AHONOZJWBHTUPN-UHFFFAOYSA-N -1 3 390.429 0.638 20 50 GCGDHM Cc1cc(NC(=O)CSCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826269991 607356717 /nfs/dbraw/zinc/35/67/17/607356717.db2.gz GKRNYWBCZOBGNC-UHFFFAOYSA-N -1 3 388.413 0.978 20 50 GCGDHM COc1ccc(C(=O)NCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826187336 607464733 /nfs/dbraw/zinc/46/47/33/607464733.db2.gz LSKBSWPKILQYRY-UHFFFAOYSA-N -1 3 397.395 0.757 20 50 GCGDHM Cc1csc(CC(=O)NNC(=O)CN(CCC(=O)[O-])C2CCOCC2)n1 ZINC000832989709 601049620 /nfs/dbraw/zinc/04/96/20/601049620.db2.gz UAEIPLOMNMCSSN-UHFFFAOYSA-N -1 3 384.458 0.097 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)COCC(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235606 607510329 /nfs/dbraw/zinc/51/03/29/607510329.db2.gz MVWSVZXZISIRAS-NUKWSGDCSA-N -1 3 387.444 0.570 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)COCC(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235606 607510330 /nfs/dbraw/zinc/51/03/30/607510330.db2.gz MVWSVZXZISIRAS-NUKWSGDCSA-N -1 3 387.444 0.570 20 50 GCGDHM COC1(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCOCC1 ZINC000826143697 607632533 /nfs/dbraw/zinc/63/25/33/607632533.db2.gz LUGDKZJVGLZURT-RIYZIHGNSA-N -1 3 385.428 0.732 20 50 GCGDHM COC1(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCOCC1 ZINC000826143697 607632535 /nfs/dbraw/zinc/63/25/35/607632535.db2.gz LUGDKZJVGLZURT-RIYZIHGNSA-N -1 3 385.428 0.732 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H]([C@H]2CCOC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444573 607709156 /nfs/dbraw/zinc/70/91/56/607709156.db2.gz LVFUTMXQHULIDI-GJZGRUSLSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H]([C@H]2CCOC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444573 607709158 /nfs/dbraw/zinc/70/91/58/607709158.db2.gz LVFUTMXQHULIDI-GJZGRUSLSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444575 607709392 /nfs/dbraw/zinc/70/93/92/607709392.db2.gz LVFUTMXQHULIDI-LSDHHAIUSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444575 607709394 /nfs/dbraw/zinc/70/93/94/607709394.db2.gz LVFUTMXQHULIDI-LSDHHAIUSA-N -1 3 385.428 0.970 20 50 GCGDHM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825341584 607720362 /nfs/dbraw/zinc/72/03/62/607720362.db2.gz FODSUBGSUQBIEB-AWEZNQCLSA-N -1 3 393.473 0.904 20 50 GCGDHM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825341584 607720363 /nfs/dbraw/zinc/72/03/63/607720363.db2.gz FODSUBGSUQBIEB-AWEZNQCLSA-N -1 3 393.473 0.904 20 50 GCGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000824040094 607726869 /nfs/dbraw/zinc/72/68/69/607726869.db2.gz LIJZOFDAUMZODU-SNVBAGLBSA-N -1 3 380.430 0.292 20 50 GCGDHM C[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000824040088 607727277 /nfs/dbraw/zinc/72/72/77/607727277.db2.gz LIJZOFDAUMZODU-JTQLQIEISA-N -1 3 380.430 0.292 20 50 GCGDHM O=C(CCN1C(=O)c2ccccc2C1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406964 607731727 /nfs/dbraw/zinc/73/17/27/607731727.db2.gz VOKIZIOCUWAQHB-UHFFFAOYSA-N -1 3 377.364 0.996 20 50 GCGDHM O=C(CCN1C(=O)c2ccccc2C1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406964 607731729 /nfs/dbraw/zinc/73/17/29/607731729.db2.gz VOKIZIOCUWAQHB-UHFFFAOYSA-N -1 3 377.364 0.996 20 50 GCGDHM O=C(NNC(=O)N1CCC(c2ncc[nH]2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277562 606668954 /nfs/dbraw/zinc/66/89/54/606668954.db2.gz QEHUUTOLUVBPHR-UHFFFAOYSA-N -1 3 381.400 0.824 20 50 GCGDHM O=C(NNC(=O)N1CCC(c2ncc[nH]2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277562 606668955 /nfs/dbraw/zinc/66/89/55/606668955.db2.gz QEHUUTOLUVBPHR-UHFFFAOYSA-N -1 3 381.400 0.824 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000826282386 607805519 /nfs/dbraw/zinc/80/55/19/607805519.db2.gz MJSRWQUWUUUQPP-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826282386 607805520 /nfs/dbraw/zinc/80/55/20/607805520.db2.gz MJSRWQUWUUUQPP-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM CC1(C)C[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824790539 607837690 /nfs/dbraw/zinc/83/76/90/607837690.db2.gz ODYQUODIQXJKIS-LBPRGKRZSA-N -1 3 389.416 0.534 20 50 GCGDHM Cn1ccnc1[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826364045 607911925 /nfs/dbraw/zinc/91/19/25/607911925.db2.gz JBXFXDJLZVYNDN-CYBMUJFWSA-N -1 3 381.400 0.444 20 50 GCGDHM Cn1ccnc1[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826364045 607911926 /nfs/dbraw/zinc/91/19/26/607911926.db2.gz JBXFXDJLZVYNDN-CYBMUJFWSA-N -1 3 381.400 0.444 20 50 GCGDHM C[C@@H]1c2cccn2CCN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825028137 607920896 /nfs/dbraw/zinc/92/08/96/607920896.db2.gz FGNAZIXDZQYLAI-GFCCVEGCSA-N -1 3 380.412 0.506 20 50 GCGDHM C[C@@H]1c2cccn2CCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825028137 607920897 /nfs/dbraw/zinc/92/08/97/607920897.db2.gz FGNAZIXDZQYLAI-GFCCVEGCSA-N -1 3 380.412 0.506 20 50 GCGDHM CC(C)C[C@H]1COCCN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824244117 607922071 /nfs/dbraw/zinc/92/20/71/607922071.db2.gz QQSKQFDMVJGPAC-HNNXBMFYSA-N -1 3 387.444 0.375 20 50 GCGDHM CC(C)C[C@H]1COCCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824244117 607922072 /nfs/dbraw/zinc/92/20/72/607922072.db2.gz QQSKQFDMVJGPAC-HNNXBMFYSA-N -1 3 387.444 0.375 20 50 GCGDHM CC[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC000825133135 607927814 /nfs/dbraw/zinc/92/78/14/607927814.db2.gz JVKFLOBLGZFEIA-KBPBESRZSA-N -1 3 389.416 0.534 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(=O)NC2CC2)cc1 ZINC000826445202 607937030 /nfs/dbraw/zinc/93/70/30/607937030.db2.gz KPPLCUZMRQPKMM-UHFFFAOYSA-N -1 3 391.391 0.834 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(=O)NC2CC2)cc1 ZINC000826445202 607937031 /nfs/dbraw/zinc/93/70/31/607937031.db2.gz KPPLCUZMRQPKMM-UHFFFAOYSA-N -1 3 391.391 0.834 20 50 GCGDHM O=C(CN1CCc2c(F)cccc2C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411087 607943090 /nfs/dbraw/zinc/94/30/90/607943090.db2.gz KNFTYUMQEFANBC-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM O=C(CN1CCc2c(F)cccc2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411087 607943091 /nfs/dbraw/zinc/94/30/91/607943091.db2.gz KNFTYUMQEFANBC-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM N#CCc1ccc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826382229 607965171 /nfs/dbraw/zinc/96/51/71/607965171.db2.gz UUSCBVULBSSXKS-UHFFFAOYSA-N -1 3 377.364 0.773 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824670683 607979269 /nfs/dbraw/zinc/97/92/69/607979269.db2.gz UDLMEPLRCKRLPA-SFHVURJKSA-N -1 3 399.386 0.858 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824670683 607979270 /nfs/dbraw/zinc/97/92/70/607979270.db2.gz UDLMEPLRCKRLPA-SFHVURJKSA-N -1 3 399.386 0.858 20 50 GCGDHM CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825499614 608022825 /nfs/dbraw/zinc/02/28/25/608022825.db2.gz OYQVRQISWUZXIX-SNVBAGLBSA-N -1 3 375.389 0.400 20 50 GCGDHM CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825499614 608022826 /nfs/dbraw/zinc/02/28/26/608022826.db2.gz OYQVRQISWUZXIX-SNVBAGLBSA-N -1 3 375.389 0.400 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H](O)CCc1ccccc1 ZINC000826417423 608183086 /nfs/dbraw/zinc/18/30/86/608183086.db2.gz QNIKDLVLZSCXDO-MRXNPFEDSA-N -1 3 396.407 0.387 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCc2cnccn2)cc(-c2nnn[n-]2)n1C ZINC000826235249 608198639 /nfs/dbraw/zinc/19/86/39/608198639.db2.gz GDBUIXUJCVTCGP-RIYZIHGNSA-N -1 3 377.412 0.912 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCc2cnccn2)cc(-c2nn[n-]n2)n1C ZINC000826235249 608198641 /nfs/dbraw/zinc/19/86/41/608198641.db2.gz GDBUIXUJCVTCGP-RIYZIHGNSA-N -1 3 377.412 0.912 20 50 GCGDHM CCOC(=O)c1cnn2c1nccc2C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825570730 608200118 /nfs/dbraw/zinc/20/01/18/608200118.db2.gz OBFKHTCWUSMZHT-UHFFFAOYSA-N -1 3 393.367 0.843 20 50 GCGDHM CCOC(=O)c1cnn2c1nccc2C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825570730 608200120 /nfs/dbraw/zinc/20/01/20/608200120.db2.gz OBFKHTCWUSMZHT-UHFFFAOYSA-N -1 3 393.367 0.843 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000826236122 608206738 /nfs/dbraw/zinc/20/67/38/608206738.db2.gz ZCJWRHBZYDNRET-SVSAJMPUSA-N -1 3 396.411 0.474 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000826236122 608206739 /nfs/dbraw/zinc/20/67/39/608206739.db2.gz ZCJWRHBZYDNRET-SVSAJMPUSA-N -1 3 396.411 0.474 20 50 GCGDHM O=C(CN(Cc1ccccn1)C1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409827 608262438 /nfs/dbraw/zinc/26/24/38/608262438.db2.gz QOWBQKDWYWCATM-UHFFFAOYSA-N -1 3 392.423 0.687 20 50 GCGDHM O=C(CN(Cc1ccccn1)C1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409827 608262439 /nfs/dbraw/zinc/26/24/39/608262439.db2.gz QOWBQKDWYWCATM-UHFFFAOYSA-N -1 3 392.423 0.687 20 50 GCGDHM Cc1c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cnn1C1CCOCC1 ZINC000826234674 608344219 /nfs/dbraw/zinc/34/42/19/608344219.db2.gz IUNZUMLEYSUFLG-UHFFFAOYSA-N -1 3 396.411 0.798 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2ccc(C(N)=O)nc2)cc(-c2nn[n-]n2)n1C ZINC000826235048 608381076 /nfs/dbraw/zinc/38/10/76/608381076.db2.gz AMGBWRVMEUKTRT-VZUCSPMQSA-N -1 3 377.368 0.553 20 50 GCGDHM Cc1nn(C)c(C)c1CCCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826333907 608412319 /nfs/dbraw/zinc/41/23/19/608412319.db2.gz ZHARNMWRMLYCMY-UHFFFAOYSA-N -1 3 397.443 0.794 20 50 GCGDHM Cc1nn(C)c(C)c1CCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826333907 608412320 /nfs/dbraw/zinc/41/23/20/608412320.db2.gz ZHARNMWRMLYCMY-UHFFFAOYSA-N -1 3 397.443 0.794 20 50 GCGDHM COC[C@@H](NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826150693 608477880 /nfs/dbraw/zinc/47/78/80/608477880.db2.gz JUAZIUGJUMOEKZ-MRXNPFEDSA-N -1 3 395.423 0.605 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NN=c1[nH]c2ccccc2[nH]1 ZINC000826412005 608548992 /nfs/dbraw/zinc/54/89/92/608548992.db2.gz XVFPPUSOEAKMDX-UHFFFAOYSA-N -1 3 377.368 0.616 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NN=c1[nH]c2ccccc2[nH]1 ZINC000826412005 608548994 /nfs/dbraw/zinc/54/89/94/608548994.db2.gz XVFPPUSOEAKMDX-UHFFFAOYSA-N -1 3 377.368 0.616 20 50 GCGDHM CS(=O)(=O)CCn1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826222667 608814099 /nfs/dbraw/zinc/81/40/99/608814099.db2.gz GVKNTEVVPVOGPC-UHFFFAOYSA-N -1 3 391.417 0.256 20 50 GCGDHM CS(=O)(=O)CCn1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826222667 608814102 /nfs/dbraw/zinc/81/41/02/608814102.db2.gz GVKNTEVVPVOGPC-UHFFFAOYSA-N -1 3 391.417 0.256 20 50 GCGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824893452 608846468 /nfs/dbraw/zinc/84/64/68/608846468.db2.gz QWBCYYHYOODYPJ-PWSUYJOCSA-N -1 3 375.389 0.143 20 50 GCGDHM C#CCCCCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823840645 609135195 /nfs/dbraw/zinc/13/51/95/609135195.db2.gz ABCHVEMEWQNRFF-UHFFFAOYSA-N -1 3 384.396 0.755 20 50 GCGDHM C#CCCCCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823840645 609135197 /nfs/dbraw/zinc/13/51/97/609135197.db2.gz ABCHVEMEWQNRFF-UHFFFAOYSA-N -1 3 384.396 0.755 20 50 GCGDHM CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948495 609157333 /nfs/dbraw/zinc/15/73/33/609157333.db2.gz PGFCYTKBIYAMQO-LLVKDONJSA-N -1 3 375.408 0.814 20 50 GCGDHM CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948185 609158954 /nfs/dbraw/zinc/15/89/54/609158954.db2.gz GBPUCFFDOUDLBA-SNVBAGLBSA-N -1 3 381.393 0.216 20 50 GCGDHM CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948185 609158956 /nfs/dbraw/zinc/15/89/56/609158956.db2.gz GBPUCFFDOUDLBA-SNVBAGLBSA-N -1 3 381.393 0.216 20 50 GCGDHM O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826422575 609185398 /nfs/dbraw/zinc/18/53/98/609185398.db2.gz DYHXJHSJCUVNBB-OAHLLOKOSA-N -1 3 386.799 0.944 20 50 GCGDHM O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826422575 609185400 /nfs/dbraw/zinc/18/54/00/609185400.db2.gz DYHXJHSJCUVNBB-OAHLLOKOSA-N -1 3 386.799 0.944 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000824499092 609191841 /nfs/dbraw/zinc/19/18/41/609191841.db2.gz NNNCIOPUYDGUFV-RYUDHWBXSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000824499092 609191842 /nfs/dbraw/zinc/19/18/42/609191842.db2.gz NNNCIOPUYDGUFV-RYUDHWBXSA-N -1 3 389.416 0.391 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCC[C@@H]1CCCCO1 ZINC000826417445 609211287 /nfs/dbraw/zinc/21/12/87/609211287.db2.gz RFDOYZZVTACEGK-ZDUSSCGKSA-N -1 3 389.416 0.535 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCC[C@H]1CCCCO1 ZINC000826418926 609211395 /nfs/dbraw/zinc/21/13/95/609211395.db2.gz BROSQJTXUWDUMB-GFCCVEGCSA-N -1 3 389.416 0.535 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCC[C@H]1CCCCO1 ZINC000826418926 609211398 /nfs/dbraw/zinc/21/13/98/609211398.db2.gz BROSQJTXUWDUMB-GFCCVEGCSA-N -1 3 389.416 0.535 20 50 GCGDHM O=C(NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2ncccc21 ZINC000826444509 609226255 /nfs/dbraw/zinc/22/62/55/609226255.db2.gz JUDRUJLIGSRRIP-MRXNPFEDSA-N -1 3 389.375 0.910 20 50 GCGDHM O=C(NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2ncccc21 ZINC000826444509 609226257 /nfs/dbraw/zinc/22/62/57/609226257.db2.gz JUDRUJLIGSRRIP-MRXNPFEDSA-N -1 3 389.375 0.910 20 50 GCGDHM CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824114301 609229119 /nfs/dbraw/zinc/22/91/19/609229119.db2.gz NPFKCRMOJAJZGA-UHFFFAOYSA-N -1 3 378.393 0.261 20 50 GCGDHM CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824114301 609229121 /nfs/dbraw/zinc/22/91/21/609229121.db2.gz NPFKCRMOJAJZGA-UHFFFAOYSA-N -1 3 378.393 0.261 20 50 GCGDHM COCc1noc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000826165575 609237157 /nfs/dbraw/zinc/23/71/57/609237157.db2.gz BDJJHLPHAIHCSN-NYYWCZLTSA-N -1 3 384.356 0.693 20 50 GCGDHM COCc1noc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000826165575 609237159 /nfs/dbraw/zinc/23/71/59/609237159.db2.gz BDJJHLPHAIHCSN-NYYWCZLTSA-N -1 3 384.356 0.693 20 50 GCGDHM CC(Cl)(Cl)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824463725 609246705 /nfs/dbraw/zinc/24/67/05/609246705.db2.gz BYXDFTYFHLDJKE-UHFFFAOYSA-N -1 3 387.183 0.365 20 50 GCGDHM CC(Cl)(Cl)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824463725 609246706 /nfs/dbraw/zinc/24/67/06/609246706.db2.gz BYXDFTYFHLDJKE-UHFFFAOYSA-N -1 3 387.183 0.365 20 50 GCGDHM CS(=O)(=O)c1cccc(NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826223990 609261115 /nfs/dbraw/zinc/26/11/15/609261115.db2.gz JVCPSPWRPAHIHU-AWEZNQCLSA-N -1 3 388.409 0.447 20 50 GCGDHM CS(=O)(=O)c1cccc(NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826223990 609261118 /nfs/dbraw/zinc/26/11/18/609261118.db2.gz JVCPSPWRPAHIHU-AWEZNQCLSA-N -1 3 388.409 0.447 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nnc(C3CC3)n2C)cc(-c2nnn[n-]2)n1C ZINC000826235127 609297056 /nfs/dbraw/zinc/29/70/56/609297056.db2.gz CDVQKEIQYJHKGB-MLPAPPSSSA-N -1 3 392.427 0.743 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nnc(C3CC3)n2C)cc(-c2nn[n-]n2)n1C ZINC000826235127 609297058 /nfs/dbraw/zinc/29/70/58/609297058.db2.gz CDVQKEIQYJHKGB-MLPAPPSSSA-N -1 3 392.427 0.743 20 50 GCGDHM COCCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826155014 609353660 /nfs/dbraw/zinc/35/36/60/609353660.db2.gz CKPIKMNNVPTFIO-NSHDSACASA-N -1 3 390.400 0.234 20 50 GCGDHM COCCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826155014 609353663 /nfs/dbraw/zinc/35/36/63/609353663.db2.gz CKPIKMNNVPTFIO-NSHDSACASA-N -1 3 390.400 0.234 20 50 GCGDHM COCCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826155417 609353722 /nfs/dbraw/zinc/35/37/22/609353722.db2.gz PKMODTLWSZHWEZ-LLVKDONJSA-N -1 3 390.400 0.234 20 50 GCGDHM COCCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826155417 609353725 /nfs/dbraw/zinc/35/37/25/609353725.db2.gz PKMODTLWSZHWEZ-LLVKDONJSA-N -1 3 390.400 0.234 20 50 GCGDHM CCOC(=O)NNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825523105 609356714 /nfs/dbraw/zinc/35/67/14/609356714.db2.gz MQHYYGNECKKLET-UHFFFAOYSA-N -1 3 375.324 0.974 20 50 GCGDHM CC1(C)CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824796893 609392297 /nfs/dbraw/zinc/39/22/97/609392297.db2.gz UCISPRAYBICSLY-ZDUSSCGKSA-N -1 3 386.412 0.997 20 50 GCGDHM CC1(C)CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824796893 609392298 /nfs/dbraw/zinc/39/22/98/609392298.db2.gz UCISPRAYBICSLY-ZDUSSCGKSA-N -1 3 386.412 0.997 20 50 GCGDHM CCCn1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825356782 609394085 /nfs/dbraw/zinc/39/40/85/609394085.db2.gz JNAXGLKIIWLDPY-UHFFFAOYSA-N -1 3 398.383 0.091 20 50 GCGDHM CCCn1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825356782 609394087 /nfs/dbraw/zinc/39/40/87/609394087.db2.gz JNAXGLKIIWLDPY-UHFFFAOYSA-N -1 3 398.383 0.091 20 50 GCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C ZINC000826249415 609399754 /nfs/dbraw/zinc/39/97/54/609399754.db2.gz BMYMNXSPCXAAOY-UHFFFAOYSA-N -1 3 375.389 0.461 20 50 GCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C ZINC000826249415 609399755 /nfs/dbraw/zinc/39/97/55/609399755.db2.gz BMYMNXSPCXAAOY-UHFFFAOYSA-N -1 3 375.389 0.461 20 50 GCGDHM COc1cc(C(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000826177231 609408655 /nfs/dbraw/zinc/40/86/55/609408655.db2.gz YPCNERFDHHVDMB-UHFFFAOYSA-N -1 3 387.356 0.295 20 50 GCGDHM COc1cc(C(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000826177231 609408656 /nfs/dbraw/zinc/40/86/56/609408656.db2.gz YPCNERFDHHVDMB-UHFFFAOYSA-N -1 3 387.356 0.295 20 50 GCGDHM Cn1cc(Br)cc1C(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826358249 609421598 /nfs/dbraw/zinc/42/15/98/609421598.db2.gz MBAFPSVRLMHOKC-UHFFFAOYSA-N -1 3 379.178 0.371 20 50 GCGDHM Cn1cc(Br)cc1C(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826358249 609421600 /nfs/dbraw/zinc/42/16/00/609421600.db2.gz MBAFPSVRLMHOKC-UHFFFAOYSA-N -1 3 379.178 0.371 20 50 GCGDHM COc1cccc([C@@H](CO)NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826214622 609444085 /nfs/dbraw/zinc/44/40/85/609444085.db2.gz RFUCTMIKZRENSX-OAHLLOKOSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1cccc([C@@H](CO)NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214622 609444087 /nfs/dbraw/zinc/44/40/87/609444087.db2.gz RFUCTMIKZRENSX-OAHLLOKOSA-N -1 3 397.395 0.553 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)Cc1ccccc1 ZINC000826445175 609445060 /nfs/dbraw/zinc/44/50/60/609445060.db2.gz JTNBCZJONYXQER-HNNXBMFYSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)Cc1ccccc1 ZINC000826445175 609445061 /nfs/dbraw/zinc/44/50/61/609445061.db2.gz JTNBCZJONYXQER-HNNXBMFYSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H](CO)c1cccc(F)c1 ZINC000826445410 609447877 /nfs/dbraw/zinc/44/78/77/609447877.db2.gz STQLSDSWJOURTE-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H](CO)c1cccc(F)c1 ZINC000826445410 609447879 /nfs/dbraw/zinc/44/78/79/609447879.db2.gz STQLSDSWJOURTE-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NC[C@@H](O)CCc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826433018 609606838 /nfs/dbraw/zinc/60/68/38/609606838.db2.gz RZFAVQDLZCDCDP-INIZCTEOSA-N -1 3 395.423 0.804 20 50 GCGDHM O=C(NC[C@@H](O)CCc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826433018 609606840 /nfs/dbraw/zinc/60/68/40/609606840.db2.gz RZFAVQDLZCDCDP-INIZCTEOSA-N -1 3 395.423 0.804 20 50 GCGDHM Cc1ccccc1[C@@H](O)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737420511 945063269 /nfs/dbraw/zinc/06/32/69/945063269.db2.gz JNXURIYQSUQPHI-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccccc1[C@@H](O)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737420511 945063279 /nfs/dbraw/zinc/06/32/79/945063279.db2.gz JNXURIYQSUQPHI-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccccc1NC(=O)NNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737437040 945067160 /nfs/dbraw/zinc/06/71/60/945067160.db2.gz VSGBUAGGNMYWQL-UHFFFAOYSA-N -1 3 395.383 0.856 20 50 GCGDHM Cc1ccccc1NC(=O)NNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737437040 945067172 /nfs/dbraw/zinc/06/71/72/945067172.db2.gz VSGBUAGGNMYWQL-UHFFFAOYSA-N -1 3 395.383 0.856 20 50 GCGDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737488798 945081060 /nfs/dbraw/zinc/08/10/60/945081060.db2.gz XLTMIDNXUXCNHV-UHFFFAOYSA-N -1 3 385.344 0.131 20 50 GCGDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737488798 945081068 /nfs/dbraw/zinc/08/10/68/945081068.db2.gz XLTMIDNXUXCNHV-UHFFFAOYSA-N -1 3 385.344 0.131 20 50 GCGDHM Cc1ncsc1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737502675 945083594 /nfs/dbraw/zinc/08/35/94/945083594.db2.gz HNVKAUGKEDQCPB-UHFFFAOYSA-N -1 3 388.413 0.541 20 50 GCGDHM Cc1noc([C@H](C)NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737534869 945092241 /nfs/dbraw/zinc/09/22/41/945092241.db2.gz RZOXFRUAEZHKHX-QMMMGPOBSA-N -1 3 387.360 0.029 20 50 GCGDHM Cn1cc(-c2cncc(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)c2)cn1 ZINC000737591598 945098911 /nfs/dbraw/zinc/09/89/11/945098911.db2.gz HQUAYNQQXGVARH-UHFFFAOYSA-N -1 3 389.379 0.737 20 50 GCGDHM Cn1cc(-c2cncc(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737591598 945098923 /nfs/dbraw/zinc/09/89/23/945098923.db2.gz HQUAYNQQXGVARH-UHFFFAOYSA-N -1 3 389.379 0.737 20 50 GCGDHM Cn1cc(C(=O)NN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000737602100 945099949 /nfs/dbraw/zinc/09/99/49/945099949.db2.gz HCHQOPUSXVOKKV-MRXNPFEDSA-N -1 3 390.407 0.819 20 50 GCGDHM Cn1cc(C(=O)NN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000737602100 945099959 /nfs/dbraw/zinc/09/99/59/945099959.db2.gz HCHQOPUSXVOKKV-MRXNPFEDSA-N -1 3 390.407 0.819 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737723149 945116327 /nfs/dbraw/zinc/11/63/27/945116327.db2.gz RVAMXAFTKNXEQZ-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737723149 945116329 /nfs/dbraw/zinc/11/63/29/945116329.db2.gz RVAMXAFTKNXEQZ-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)COCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736370 945118369 /nfs/dbraw/zinc/11/83/69/945118369.db2.gz IPINHPJVPZPBBK-INIZCTEOSA-N -1 3 381.396 0.231 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)COCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736370 945118371 /nfs/dbraw/zinc/11/83/71/945118371.db2.gz IPINHPJVPZPBBK-INIZCTEOSA-N -1 3 381.396 0.231 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737109 945120453 /nfs/dbraw/zinc/12/04/53/945120453.db2.gz OFUJTUQKHIUJEN-CABCVRRESA-N -1 3 379.380 0.018 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737109 945120459 /nfs/dbraw/zinc/12/04/59/945120459.db2.gz OFUJTUQKHIUJEN-CABCVRRESA-N -1 3 379.380 0.018 20 50 GCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNC(=O)c2ccccc2)cc1 ZINC000737775627 945123976 /nfs/dbraw/zinc/12/39/76/945123976.db2.gz FHDRTGWAJHHMRJ-UHFFFAOYSA-N -1 3 389.379 0.709 20 50 GCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNC(=O)c2ccccc2)cc1 ZINC000737775627 945123978 /nfs/dbraw/zinc/12/39/78/945123978.db2.gz FHDRTGWAJHHMRJ-UHFFFAOYSA-N -1 3 389.379 0.709 20 50 GCGDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NNC(=O)N1CCOCC1 ZINC000737832269 945133042 /nfs/dbraw/zinc/13/30/42/945133042.db2.gz IEORXMHUIDDISN-UHFFFAOYSA-N -1 3 389.416 0.489 20 50 GCGDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NNC(=O)N1CCOCC1 ZINC000737832269 945133046 /nfs/dbraw/zinc/13/30/46/945133046.db2.gz IEORXMHUIDDISN-UHFFFAOYSA-N -1 3 389.416 0.489 20 50 GCGDHM O=C(CCCNC(=O)c1ccsc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737843042 945137064 /nfs/dbraw/zinc/13/70/64/945137064.db2.gz YEAWKGADSLQGFK-UHFFFAOYSA-N -1 3 399.436 0.899 20 50 GCGDHM O=C(CCCNC(=O)c1ccsc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737843042 945137068 /nfs/dbraw/zinc/13/70/68/945137068.db2.gz YEAWKGADSLQGFK-UHFFFAOYSA-N -1 3 399.436 0.899 20 50 GCGDHM O=C(CN1Cc2ccccc2C1=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737884558 945144015 /nfs/dbraw/zinc/14/40/15/945144015.db2.gz OTFKSKDIPLDBOR-UHFFFAOYSA-N -1 3 377.364 0.284 20 50 GCGDHM O=C(CN1Cc2ccccc2C1=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737884558 945144022 /nfs/dbraw/zinc/14/40/22/945144022.db2.gz OTFKSKDIPLDBOR-UHFFFAOYSA-N -1 3 377.364 0.284 20 50 GCGDHM O=C(CNC(=O)c1cccs1)NNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737892457 945146821 /nfs/dbraw/zinc/14/68/21/945146821.db2.gz USUMLBDAJUVFHM-UHFFFAOYSA-N -1 3 386.397 0.511 20 50 GCGDHM O=C(CNC(=O)c1cccs1)NNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737892457 945146828 /nfs/dbraw/zinc/14/68/28/945146828.db2.gz USUMLBDAJUVFHM-UHFFFAOYSA-N -1 3 386.397 0.511 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000737919166 945151905 /nfs/dbraw/zinc/15/19/05/945151905.db2.gz OXPHOOQUOHOFJW-OAHLLOKOSA-N -1 3 380.364 0.397 20 50 GCGDHM O=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737924643 945155030 /nfs/dbraw/zinc/15/50/30/945155030.db2.gz HSZRDZCZFRQJOQ-UHFFFAOYSA-N -1 3 383.324 0.615 20 50 GCGDHM O=C(COc1cccc([N+](=O)[O-])c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737924643 945155034 /nfs/dbraw/zinc/15/50/34/945155034.db2.gz HSZRDZCZFRQJOQ-UHFFFAOYSA-N -1 3 383.324 0.615 20 50 GCGDHM O=C(CSC[C@H]1CCCCO1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737930721 945158110 /nfs/dbraw/zinc/15/81/10/945158110.db2.gz DYFMHYQGMWVOQT-CYBMUJFWSA-N -1 3 376.442 0.930 20 50 GCGDHM O=C(CSC[C@H]1CCCCO1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737930721 945158113 /nfs/dbraw/zinc/15/81/13/945158113.db2.gz DYFMHYQGMWVOQT-CYBMUJFWSA-N -1 3 376.442 0.930 20 50 GCGDHM O=C(CSc1nccn1C1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737953997 945164955 /nfs/dbraw/zinc/16/49/55/945164955.db2.gz QLNBHITZUPFZTE-UHFFFAOYSA-N -1 3 384.425 0.951 20 50 GCGDHM O=C(CSc1nccn1C1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737953997 945164962 /nfs/dbraw/zinc/16/49/62/945164962.db2.gz QLNBHITZUPFZTE-UHFFFAOYSA-N -1 3 384.425 0.951 20 50 GCGDHM O=C(Cc1cc(F)cc2c1OCOC2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737954994 945166983 /nfs/dbraw/zinc/16/69/83/945166983.db2.gz VJLBJXVSTJVEPK-UHFFFAOYSA-N -1 3 398.354 0.876 20 50 GCGDHM O=C(Cc1cc(F)cc2c1OCOC2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737954994 945166988 /nfs/dbraw/zinc/16/69/88/945166988.db2.gz VJLBJXVSTJVEPK-UHFFFAOYSA-N -1 3 398.354 0.876 20 50 GCGDHM O=C(Cn1c(=O)cnc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737983491 945170674 /nfs/dbraw/zinc/17/06/74/945170674.db2.gz WNAGUFCGMWQUEC-UHFFFAOYSA-N -1 3 390.363 0.038 20 50 GCGDHM O=C(Cn1c(=O)cnc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737983491 945170680 /nfs/dbraw/zinc/17/06/80/945170680.db2.gz WNAGUFCGMWQUEC-UHFFFAOYSA-N -1 3 390.363 0.038 20 50 GCGDHM O=C(NC[C@H]1Cc2ccccc2O1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738053859 945178263 /nfs/dbraw/zinc/17/82/63/945178263.db2.gz ZUXLQXPIWYNXAF-CQSZACIVSA-N -1 3 379.380 0.814 20 50 GCGDHM O=C(NC[C@H]1Cc2ccccc2O1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738053859 945178267 /nfs/dbraw/zinc/17/82/67/945178267.db2.gz ZUXLQXPIWYNXAF-CQSZACIVSA-N -1 3 379.380 0.814 20 50 GCGDHM O=C(NCCc1cn2ccccc2n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738089161 945184924 /nfs/dbraw/zinc/18/49/24/945184924.db2.gz VEDHKIMLSWPVCH-UHFFFAOYSA-N -1 3 391.395 0.701 20 50 GCGDHM O=C(NCCc1cn2ccccc2n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738089161 945184934 /nfs/dbraw/zinc/18/49/34/945184934.db2.gz VEDHKIMLSWPVCH-UHFFFAOYSA-N -1 3 391.395 0.701 20 50 GCGDHM O=C(NCCn1cnc2ccccc21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738095229 945187462 /nfs/dbraw/zinc/18/74/62/945187462.db2.gz RYMGVWBECGKOPO-UHFFFAOYSA-N -1 3 391.395 0.861 20 50 GCGDHM O=C(NCCn1cnc2ccccc21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738095229 945187467 /nfs/dbraw/zinc/18/74/67/945187467.db2.gz RYMGVWBECGKOPO-UHFFFAOYSA-N -1 3 391.395 0.861 20 50 GCGDHM O=C(NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130254 945209319 /nfs/dbraw/zinc/20/93/19/945209319.db2.gz OLYYJIFTOOSBDV-AWEZNQCLSA-N -1 3 378.348 0.409 20 50 GCGDHM O=C(NNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130254 945209327 /nfs/dbraw/zinc/20/93/27/945209327.db2.gz OLYYJIFTOOSBDV-AWEZNQCLSA-N -1 3 378.348 0.409 20 50 GCGDHM O=C(NNC(=O)c1cccnc1N1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134037 945214980 /nfs/dbraw/zinc/21/49/80/945214980.db2.gz DCQWXALWBZYXNF-UHFFFAOYSA-N -1 3 378.396 0.937 20 50 GCGDHM O=C(NNS(=O)(=O)N1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134108 945215511 /nfs/dbraw/zinc/21/55/11/945215511.db2.gz FJEIOXGNAQMCSX-UHFFFAOYSA-N -1 3 399.436 0.404 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCCC2)nc1 ZINC000738134846 945223472 /nfs/dbraw/zinc/22/34/72/945223472.db2.gz VKJJJAOYNYRMMQ-UHFFFAOYSA-N -1 3 378.396 0.937 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCCC2)nc1 ZINC000738134846 945223477 /nfs/dbraw/zinc/22/34/77/945223477.db2.gz VKJJJAOYNYRMMQ-UHFFFAOYSA-N -1 3 378.396 0.937 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1 ZINC000738134926 945224466 /nfs/dbraw/zinc/22/44/66/945224466.db2.gz ZHASHBCUSVNXPI-UHFFFAOYSA-N -1 3 393.407 0.778 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000738134926 945224471 /nfs/dbraw/zinc/22/44/71/945224471.db2.gz ZHASHBCUSVNXPI-UHFFFAOYSA-N -1 3 393.407 0.778 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000738136992 945239909 /nfs/dbraw/zinc/23/99/09/945239909.db2.gz KNECJHTUVONVKJ-SNVBAGLBSA-N -1 3 384.322 0.656 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000738136992 945239914 /nfs/dbraw/zinc/23/99/14/945239914.db2.gz KNECJHTUVONVKJ-SNVBAGLBSA-N -1 3 384.322 0.656 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000738136490 945236724 /nfs/dbraw/zinc/23/67/24/945236724.db2.gz MLIVPHLLUXAZDF-UHFFFAOYSA-N -1 3 394.395 0.506 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000738136490 945236733 /nfs/dbraw/zinc/23/67/33/945236733.db2.gz MLIVPHLLUXAZDF-UHFFFAOYSA-N -1 3 394.395 0.506 20 50 GCGDHM O=C(NN=c1nccc[nH]1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738137143 945241516 /nfs/dbraw/zinc/24/15/16/945241516.db2.gz NKMJZNHXDZOYKW-UHFFFAOYSA-N -1 3 381.404 0.347 20 50 GCGDHM O=C(NN=c1nccc[nH]1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738137143 945241519 /nfs/dbraw/zinc/24/15/19/945241519.db2.gz NKMJZNHXDZOYKW-UHFFFAOYSA-N -1 3 381.404 0.347 20 50 GCGDHM O=C(NNC(=O)c1ccc2c(c1)NC(=O)CO2)c1cccc(-c2nnn[n-]2)c1 ZINC000738305833 945259603 /nfs/dbraw/zinc/25/96/03/945259603.db2.gz CJLSWLTUDGHSPA-UHFFFAOYSA-N -1 3 379.336 0.272 20 50 GCGDHM O=C(NNC(=O)c1ccc2c(c1)NC(=O)CO2)c1cccc(-c2nn[n-]n2)c1 ZINC000738305833 945259613 /nfs/dbraw/zinc/25/96/13/945259613.db2.gz CJLSWLTUDGHSPA-UHFFFAOYSA-N -1 3 379.336 0.272 20 50 GCGDHM C=CCC(CC=C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734470 945275222 /nfs/dbraw/zinc/27/52/22/945275222.db2.gz OUHIOSLMNUDDKW-UHFFFAOYSA-N -1 3 384.396 0.939 20 50 GCGDHM C=CCC(CC=C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734470 945275231 /nfs/dbraw/zinc/27/52/31/945275231.db2.gz OUHIOSLMNUDDKW-UHFFFAOYSA-N -1 3 384.396 0.939 20 50 GCGDHM C=C(C)COCCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000819723054 945275892 /nfs/dbraw/zinc/27/58/92/945275892.db2.gz WIMQTSTVGDHVMK-UHFFFAOYSA-N -1 3 375.389 0.169 20 50 GCGDHM C=C(C)COCCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000819723054 945275901 /nfs/dbraw/zinc/27/59/01/945275901.db2.gz WIMQTSTVGDHVMK-UHFFFAOYSA-N -1 3 375.389 0.169 20 50 GCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000819883542 945305986 /nfs/dbraw/zinc/30/59/86/945305986.db2.gz HFIFYALTGVGWPU-JTQLQIEISA-N -1 3 384.352 0.568 20 50 GCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000819883542 945305993 /nfs/dbraw/zinc/30/59/93/945305993.db2.gz HFIFYALTGVGWPU-JTQLQIEISA-N -1 3 384.352 0.568 20 50 GCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000819884583 945308232 /nfs/dbraw/zinc/30/82/32/945308232.db2.gz XHOCHHXIPSJTCK-LLVKDONJSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819884583 945308241 /nfs/dbraw/zinc/30/82/41/945308241.db2.gz XHOCHHXIPSJTCK-LLVKDONJSA-N -1 3 386.412 0.997 20 50 GCGDHM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NN=c1ccc(C(N)=O)n[n-]1 ZINC000820001046 945324925 /nfs/dbraw/zinc/32/49/25/945324925.db2.gz BSJMUVSSSROLLU-UHFFFAOYSA-N -1 3 383.372 0.056 20 50 GCGDHM CC(C)CO[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820096404 945349441 /nfs/dbraw/zinc/34/94/41/945349441.db2.gz CBTXRQKLRIBTET-LLVKDONJSA-N -1 3 390.400 0.232 20 50 GCGDHM CC(C)CO[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820096404 945349453 /nfs/dbraw/zinc/34/94/53/945349453.db2.gz CBTXRQKLRIBTET-LLVKDONJSA-N -1 3 390.400 0.232 20 50 GCGDHM CC(C)COCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820102655 945353741 /nfs/dbraw/zinc/35/37/41/945353741.db2.gz FTBVTTSCWHAANR-UHFFFAOYSA-N -1 3 390.400 0.234 20 50 GCGDHM CC(C)COCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820102655 945353749 /nfs/dbraw/zinc/35/37/49/945353749.db2.gz FTBVTTSCWHAANR-UHFFFAOYSA-N -1 3 390.400 0.234 20 50 GCGDHM CC(C)Cn1ccnc1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820108562 945354368 /nfs/dbraw/zinc/35/43/68/945354368.db2.gz NCHIHELSWVCLFM-UHFFFAOYSA-N -1 3 383.416 0.863 20 50 GCGDHM CC(C)Cn1ccnc1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820108562 945354380 /nfs/dbraw/zinc/35/43/80/945354380.db2.gz NCHIHELSWVCLFM-UHFFFAOYSA-N -1 3 383.416 0.863 20 50 GCGDHM CC(C)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)on1 ZINC000820187524 945367642 /nfs/dbraw/zinc/36/76/42/945367642.db2.gz FMGMFBBVPHRLBB-UHFFFAOYSA-N -1 3 399.367 0.596 20 50 GCGDHM CC(C)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)on1 ZINC000820187524 945367651 /nfs/dbraw/zinc/36/76/51/945367651.db2.gz FMGMFBBVPHRLBB-UHFFFAOYSA-N -1 3 399.367 0.596 20 50 GCGDHM O=C([O-])[C@@H]1CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC001601318476 970974574 /nfs/dbraw/zinc/97/45/74/970974574.db2.gz XTUNDCCLFGMHMJ-UONOGXRCSA-N -1 3 376.369 0.398 20 50 GCGDHM CC(=O)N[C@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000735474050 944664787 /nfs/dbraw/zinc/66/47/87/944664787.db2.gz GXXOLYRJKOWZCU-CYBMUJFWSA-N -1 3 399.436 0.957 20 50 GCGDHM CC(=O)N[C@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000735474050 944664797 /nfs/dbraw/zinc/66/47/97/944664797.db2.gz GXXOLYRJKOWZCU-CYBMUJFWSA-N -1 3 399.436 0.957 20 50 GCGDHM CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735636526 944681617 /nfs/dbraw/zinc/68/16/17/944681617.db2.gz YIBORDSBPGNLJV-UHFFFAOYSA-N -1 3 375.389 0.543 20 50 GCGDHM CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735636526 944681622 /nfs/dbraw/zinc/68/16/22/944681622.db2.gz YIBORDSBPGNLJV-UHFFFAOYSA-N -1 3 375.389 0.543 20 50 GCGDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)c1cnn(C)c1 ZINC000735733563 944695094 /nfs/dbraw/zinc/69/50/94/944695094.db2.gz BKFHZVJQMUGMKI-CQSZACIVSA-N -1 3 384.400 0.465 20 50 GCGDHM CC(C)CCC(=O)NNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735796063 944701356 /nfs/dbraw/zinc/70/13/56/944701356.db2.gz RPFDGKMUIJMCPI-UHFFFAOYSA-N -1 3 387.448 0.561 20 50 GCGDHM CC(C)CCC(=O)NNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735796063 944701364 /nfs/dbraw/zinc/70/13/64/944701364.db2.gz RPFDGKMUIJMCPI-UHFFFAOYSA-N -1 3 387.448 0.561 20 50 GCGDHM C[C@@H](CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC(=O)C1CCCC1 ZINC000735973586 944727994 /nfs/dbraw/zinc/72/79/94/944727994.db2.gz BEWGRRXWOMSPSO-NSHDSACASA-N -1 3 385.428 0.713 20 50 GCGDHM C[C@@H](CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC(=O)C1CCCC1 ZINC000735973586 944728005 /nfs/dbraw/zinc/72/80/05/944728005.db2.gz BEWGRRXWOMSPSO-NSHDSACASA-N -1 3 385.428 0.713 20 50 GCGDHM CC(C)n1cnnc1SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735964632 944728226 /nfs/dbraw/zinc/72/82/26/944728226.db2.gz CALULXOZYBOEAS-UHFFFAOYSA-N -1 3 387.429 0.592 20 50 GCGDHM CC(C)n1cnnc1SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735964632 944728229 /nfs/dbraw/zinc/72/82/29/944728229.db2.gz CALULXOZYBOEAS-UHFFFAOYSA-N -1 3 387.429 0.592 20 50 GCGDHM C[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736038277 944735105 /nfs/dbraw/zinc/73/51/05/944735105.db2.gz TXCSFHQRAJNPBZ-QMMMGPOBSA-N -1 3 387.322 0.778 20 50 GCGDHM C[C@@H](COCC(F)(F)F)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736038277 944735111 /nfs/dbraw/zinc/73/51/11/944735111.db2.gz TXCSFHQRAJNPBZ-QMMMGPOBSA-N -1 3 387.322 0.778 20 50 GCGDHM C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736127109 944747505 /nfs/dbraw/zinc/74/75/05/944747505.db2.gz QRRQEPMMHSUNJR-VIFPVBQESA-N -1 3 385.409 0.508 20 50 GCGDHM C[C@H](NC(=O)c1cccs1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736127109 944747514 /nfs/dbraw/zinc/74/75/14/944747514.db2.gz QRRQEPMMHSUNJR-VIFPVBQESA-N -1 3 385.409 0.508 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)COc1ccccc1O ZINC000736181771 944753377 /nfs/dbraw/zinc/75/33/77/944753377.db2.gz AENLYOCASMZIBU-LLVKDONJSA-N -1 3 398.379 0.566 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)COc1ccccc1O ZINC000736181771 944753382 /nfs/dbraw/zinc/75/33/82/944753382.db2.gz AENLYOCASMZIBU-LLVKDONJSA-N -1 3 398.379 0.566 20 50 GCGDHM C[C@H](Oc1cccnc1)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736188059 944758515 /nfs/dbraw/zinc/75/85/15/944758515.db2.gz HSJGMQBQYRPZCA-NSHDSACASA-N -1 3 383.368 0.255 20 50 GCGDHM C[C@@]1(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCOC1 ZINC000736217637 944766807 /nfs/dbraw/zinc/76/68/07/944766807.db2.gz ZTTXURQQCTUZDA-INIZCTEOSA-N -1 3 375.389 0.003 20 50 GCGDHM C[C@@]1(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCOC1 ZINC000736217637 944766816 /nfs/dbraw/zinc/76/68/16/944766816.db2.gz ZTTXURQQCTUZDA-INIZCTEOSA-N -1 3 375.389 0.003 20 50 GCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736345591 944804038 /nfs/dbraw/zinc/80/40/38/944804038.db2.gz JGIKDLZWINMDEZ-JTQLQIEISA-N -1 3 389.416 0.086 20 50 GCGDHM CCCC[C@@H](COC)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736438079 944820610 /nfs/dbraw/zinc/82/06/10/944820610.db2.gz KZHWKDQNEWDXCH-LBPRGKRZSA-N -1 3 391.432 0.781 20 50 GCGDHM CCCC[C@@H](COC)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736438079 944820616 /nfs/dbraw/zinc/82/06/16/944820616.db2.gz KZHWKDQNEWDXCH-LBPRGKRZSA-N -1 3 391.432 0.781 20 50 GCGDHM CCCC1N=NC(=S)N1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736500106 944834867 /nfs/dbraw/zinc/83/48/67/944834867.db2.gz LVLWXFIQKQPUNG-UHFFFAOYSA-N -1 3 387.429 0.161 20 50 GCGDHM CCCC1N=NC(=S)N1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736500106 944834876 /nfs/dbraw/zinc/83/48/76/944834876.db2.gz LVLWXFIQKQPUNG-UHFFFAOYSA-N -1 3 387.429 0.161 20 50 GCGDHM CCn1nc(C)c(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736727850 944879467 /nfs/dbraw/zinc/87/94/67/944879467.db2.gz IHNNQGZQVGNKAU-UHFFFAOYSA-N -1 3 383.416 0.844 20 50 GCGDHM CCn1nc(C)c(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736727850 944879475 /nfs/dbraw/zinc/87/94/75/944879475.db2.gz IHNNQGZQVGNKAU-UHFFFAOYSA-N -1 3 383.416 0.844 20 50 GCGDHM CN(C)C(=O)c1cccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736753090 944883105 /nfs/dbraw/zinc/88/31/05/944883105.db2.gz DXXRJYGXRKBQFH-UHFFFAOYSA-N -1 3 379.380 0.643 20 50 GCGDHM CN(C)C(=O)c1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736753090 944883110 /nfs/dbraw/zinc/88/31/10/944883110.db2.gz DXXRJYGXRKBQFH-UHFFFAOYSA-N -1 3 379.380 0.643 20 50 GCGDHM CNC(=O)[C@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736872045 944903996 /nfs/dbraw/zinc/90/39/96/944903996.db2.gz WAHMKUAPWXMYQP-OBTCNRAFSA-N -1 3 382.428 0.405 20 50 GCGDHM CNC(=O)[C@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736872045 944904003 /nfs/dbraw/zinc/90/40/03/944904003.db2.gz WAHMKUAPWXMYQP-OBTCNRAFSA-N -1 3 382.428 0.405 20 50 GCGDHM COC(=O)[C@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736893624 944905140 /nfs/dbraw/zinc/90/51/40/944905140.db2.gz ADCXTHKHKPTFOM-JKSUJKDBSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736893624 944905148 /nfs/dbraw/zinc/90/51/48/944905148.db2.gz ADCXTHKHKPTFOM-JKSUJKDBSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895321 944905659 /nfs/dbraw/zinc/90/56/59/944905659.db2.gz FVDMDXIJUZKFEJ-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895321 944905668 /nfs/dbraw/zinc/90/56/68/944905668.db2.gz FVDMDXIJUZKFEJ-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895745 944907430 /nfs/dbraw/zinc/90/74/30/944907430.db2.gz GHVYQKIHTSXDCN-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895745 944907435 /nfs/dbraw/zinc/90/74/35/944907435.db2.gz GHVYQKIHTSXDCN-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COCCc1noc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000737013730 944930936 /nfs/dbraw/zinc/93/09/36/944930936.db2.gz JYOLYWMICRLGQS-WUXMJOGZSA-N -1 3 398.383 0.736 20 50 GCGDHM COCCc1noc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000737013730 944930941 /nfs/dbraw/zinc/93/09/41/944930941.db2.gz JYOLYWMICRLGQS-WUXMJOGZSA-N -1 3 398.383 0.736 20 50 GCGDHM COCCOCCCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737006981 944931697 /nfs/dbraw/zinc/93/16/97/944931697.db2.gz WLQJRMBKZWJVLT-UHFFFAOYSA-N -1 3 377.405 0.254 20 50 GCGDHM COCCOCCCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737006981 944931713 /nfs/dbraw/zinc/93/17/13/944931713.db2.gz WLQJRMBKZWJVLT-UHFFFAOYSA-N -1 3 377.405 0.254 20 50 GCGDHM COc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737139533 944966264 /nfs/dbraw/zinc/96/62/64/944966264.db2.gz YQZVZDMFIIFPTF-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM COc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737139533 944966269 /nfs/dbraw/zinc/96/62/69/944966269.db2.gz YQZVZDMFIIFPTF-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM CS(=O)(=O)[C@@H]1CCCC1=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737161425 944973129 /nfs/dbraw/zinc/97/31/29/944973129.db2.gz JLBPSAQXBUPIEP-CYBMUJFWSA-N -1 3 378.414 0.315 20 50 GCGDHM CS(=O)(=O)[C@@H]1CCCC1=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737161425 944973135 /nfs/dbraw/zinc/97/31/35/944973135.db2.gz JLBPSAQXBUPIEP-CYBMUJFWSA-N -1 3 378.414 0.315 20 50 GCGDHM CSC[C@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737178650 944976189 /nfs/dbraw/zinc/97/61/89/944976189.db2.gz BQMCMGMKGIXVGR-FJCDDACJSA-N -1 3 375.458 0.651 20 50 GCGDHM CSC[C@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737178650 944976193 /nfs/dbraw/zinc/97/61/93/944976193.db2.gz BQMCMGMKGIXVGR-FJCDDACJSA-N -1 3 375.458 0.651 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)Cc2ccccn2)cc(-c2nn[n-]n2)n1C ZINC000737211060 944982568 /nfs/dbraw/zinc/98/25/68/944982568.db2.gz AHRQSHHDKSWOFT-QPEQYQDCSA-N -1 3 391.395 0.206 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2CCO[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212057 944990665 /nfs/dbraw/zinc/99/06/65/944990665.db2.gz HITLUVHZSKZAMH-IYVNWDGISA-N -1 3 384.444 0.258 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2CCOC[C@H]2C)cc(-c2nn[n-]n2)n1C ZINC000737212171 944991015 /nfs/dbraw/zinc/99/10/15/944991015.db2.gz ICOOINRVZOZTKU-PWDRSIHYSA-N -1 3 384.444 0.258 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2CCO[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212055 944991030 /nfs/dbraw/zinc/99/10/30/944991030.db2.gz HITLUVHZSKZAMH-AAWHYMEISA-N -1 3 384.444 0.258 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC2CCC(C(N)=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000737212400 944993433 /nfs/dbraw/zinc/99/34/33/944993433.db2.gz IVVPVHIDLPCPCG-NTUHNPAUSA-N -1 3 382.428 0.581 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC2CCC(C(N)=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000737212400 944993442 /nfs/dbraw/zinc/99/34/42/944993442.db2.gz IVVPVHIDLPCPCG-NTUHNPAUSA-N -1 3 382.428 0.581 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc(-c2nnn[n-]2)n1C ZINC000737212552 944994162 /nfs/dbraw/zinc/99/41/62/944994162.db2.gz KVMVLUFPBXFFLW-YRVKEHPISA-N -1 3 389.441 0.066 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212552 944994168 /nfs/dbraw/zinc/99/41/68/944994168.db2.gz KVMVLUFPBXFFLW-YRVKEHPISA-N -1 3 389.441 0.066 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)Cc2cccnc2)cc(-c2nn[n-]n2)n1C ZINC000737212642 944994276 /nfs/dbraw/zinc/99/42/76/944994276.db2.gz LRKYAFBJKTUULQ-VGOFMYFVSA-N -1 3 391.395 0.206 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCc3n[nH]cc3C2)cc(-c2nn[n-]n2)n1C ZINC000737213534 945003441 /nfs/dbraw/zinc/00/34/41/945003441.db2.gz VCHTXVRDOFXZGY-IMBBRHANSA-N -1 3 377.412 0.817 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)NC2CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000737213686 945005507 /nfs/dbraw/zinc/00/55/07/945005507.db2.gz VWFAYDJSQAIUHQ-NTUHNPAUSA-N -1 3 399.411 0.259 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)NC2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000737213686 945005517 /nfs/dbraw/zinc/00/55/17/945005517.db2.gz VWFAYDJSQAIUHQ-NTUHNPAUSA-N -1 3 399.411 0.259 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc(-c2nn[n-]n2)n1C ZINC000737213981 945010047 /nfs/dbraw/zinc/01/00/47/945010047.db2.gz ZJXVUBCKYRDYBE-HTRKUNOGSA-N -1 3 396.455 0.354 20 50 GCGDHM Cc1cc2c[nH]nc2c(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737236628 945016789 /nfs/dbraw/zinc/01/67/89/945016789.db2.gz PHRUWOAJXCUFPA-UHFFFAOYSA-N -1 3 392.379 0.891 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(N)c([N+](=O)[O-])c1 ZINC000737236166 945018294 /nfs/dbraw/zinc/01/82/94/945018294.db2.gz FLDDDXMBMAJICX-UHFFFAOYSA-N -1 3 382.340 0.740 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(N)c([N+](=O)[O-])c1 ZINC000737236166 945018304 /nfs/dbraw/zinc/01/83/04/945018304.db2.gz FLDDDXMBMAJICX-UHFFFAOYSA-N -1 3 382.340 0.740 20 50 GCGDHM Cc1cccc(OCC(=O)NN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737400931 945058166 /nfs/dbraw/zinc/05/81/66/945058166.db2.gz HMHHXCZFMDKXGN-INIZCTEOSA-N -1 3 381.396 0.401 20 50 GCGDHM Cc1cccc(OCC(=O)NN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737400931 945058178 /nfs/dbraw/zinc/05/81/78/945058178.db2.gz HMHHXCZFMDKXGN-INIZCTEOSA-N -1 3 381.396 0.401 20 50 GCGDHM C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820234271 945391389 /nfs/dbraw/zinc/39/13/89/945391389.db2.gz NAIQSSDVVKQVTN-NWDGAFQWSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)[C@H]1CCOC1 ZINC000820373448 945435113 /nfs/dbraw/zinc/43/51/13/945435113.db2.gz HRZRVVVYEVMIMT-QWRGUYRKSA-N -1 3 375.389 0.001 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000820373448 945435118 /nfs/dbraw/zinc/43/51/18/945435118.db2.gz HRZRVVVYEVMIMT-QWRGUYRKSA-N -1 3 375.389 0.001 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000820374662 945438508 /nfs/dbraw/zinc/43/85/08/945438508.db2.gz PSCMXNUWWIQXLW-LLVKDONJSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000820374662 945438516 /nfs/dbraw/zinc/43/85/16/945438516.db2.gz PSCMXNUWWIQXLW-LLVKDONJSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NNc1ccccc1 ZINC000820450319 945452819 /nfs/dbraw/zinc/45/28/19/945452819.db2.gz JPLCVNNYRQKFBS-NSHDSACASA-N -1 3 387.425 0.677 20 50 GCGDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NNc1ccccc1 ZINC000820450319 945452828 /nfs/dbraw/zinc/45/28/28/945452828.db2.gz JPLCVNNYRQKFBS-NSHDSACASA-N -1 3 387.425 0.677 20 50 GCGDHM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000820528793 945474454 /nfs/dbraw/zinc/47/44/54/945474454.db2.gz OMHPDWNAYMQORR-QMMMGPOBSA-N -1 3 396.371 0.160 20 50 GCGDHM CC1CC(C#N)(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820641524 945506154 /nfs/dbraw/zinc/50/61/54/945506154.db2.gz DBFBYYHUUYNLCA-UHFFFAOYSA-N -1 3 383.368 0.111 20 50 GCGDHM CC1CC(C#N)(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820641524 945506158 /nfs/dbraw/zinc/50/61/58/945506158.db2.gz DBFBYYHUUYNLCA-UHFFFAOYSA-N -1 3 383.368 0.111 20 50 GCGDHM C[C@H]1CC/C(=C\C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820677172 945521086 /nfs/dbraw/zinc/52/10/86/945521086.db2.gz PRWSHQQRWAWXAX-UTEVDWOZSA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@H]1CC/C(=C\C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820677172 945521094 /nfs/dbraw/zinc/52/10/94/945521094.db2.gz PRWSHQQRWAWXAX-UTEVDWOZSA-N -1 3 384.396 0.917 20 50 GCGDHM CCCC[C@H](NC(=O)NCC)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821043620 945622909 /nfs/dbraw/zinc/62/29/09/945622909.db2.gz QQMAITSMLFTMMF-ZDUSSCGKSA-N -1 3 388.432 0.506 20 50 GCGDHM CCCC[C@H](NC(=O)NCC)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821043620 945622913 /nfs/dbraw/zinc/62/29/13/945622913.db2.gz QQMAITSMLFTMMF-ZDUSSCGKSA-N -1 3 388.432 0.506 20 50 GCGDHM CCCCO[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821071579 945628119 /nfs/dbraw/zinc/62/81/19/945628119.db2.gz JIRDMBNTALGYHV-LLVKDONJSA-N -1 3 390.400 0.376 20 50 GCGDHM CCCCO[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821071579 945628125 /nfs/dbraw/zinc/62/81/25/945628125.db2.gz JIRDMBNTALGYHV-LLVKDONJSA-N -1 3 390.400 0.376 20 50 GCGDHM CCO[C@@H](CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821351502 945679213 /nfs/dbraw/zinc/67/92/13/945679213.db2.gz RPVNBIXLRKIJIL-AWEZNQCLSA-N -1 3 376.417 0.844 20 50 GCGDHM CCOCCNC(=O)COC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821378684 945685854 /nfs/dbraw/zinc/68/58/54/945685854.db2.gz SBISAKLIFVXXQD-QPEQYQDCSA-N -1 3 387.400 0.117 20 50 GCGDHM CCOCCNC(=O)COC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821378684 945685857 /nfs/dbraw/zinc/68/58/57/945685857.db2.gz SBISAKLIFVXXQD-QPEQYQDCSA-N -1 3 387.400 0.117 20 50 GCGDHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821510308 945712089 /nfs/dbraw/zinc/71/20/89/945712089.db2.gz ZCCJCZPEJIDXLX-LBPRGKRZSA-N -1 3 396.415 0.500 20 50 GCGDHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821510308 945712097 /nfs/dbraw/zinc/71/20/97/945712097.db2.gz ZCCJCZPEJIDXLX-LBPRGKRZSA-N -1 3 396.415 0.500 20 50 GCGDHM CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821510001 945712521 /nfs/dbraw/zinc/71/25/21/945712521.db2.gz RZRPYXLHDZETKJ-UHFFFAOYSA-N -1 3 393.411 0.579 20 50 GCGDHM CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821510001 945712530 /nfs/dbraw/zinc/71/25/30/945712530.db2.gz RZRPYXLHDZETKJ-UHFFFAOYSA-N -1 3 393.411 0.579 20 50 GCGDHM CCn1nc(C)cc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821568385 945718702 /nfs/dbraw/zinc/71/87/02/945718702.db2.gz RSHOWWXDZTXELF-UHFFFAOYSA-N -1 3 398.383 0.010 20 50 GCGDHM CCn1nc(C)cc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821568385 945718705 /nfs/dbraw/zinc/71/87/05/945718705.db2.gz RSHOWWXDZTXELF-UHFFFAOYSA-N -1 3 398.383 0.010 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644513 945767687 /nfs/dbraw/zinc/76/76/87/945767687.db2.gz BIDKOXRAUUXKSU-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644513 945767689 /nfs/dbraw/zinc/76/76/89/945767689.db2.gz BIDKOXRAUUXKSU-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)C[C@H]1CCCN1C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821658668 945783364 /nfs/dbraw/zinc/78/33/64/945783364.db2.gz DSYLUHSSSSZFHH-WTWVRAIASA-N -1 3 383.412 0.975 20 50 GCGDHM COC(=O)C[C@H]1CCCN1C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821658668 945783368 /nfs/dbraw/zinc/78/33/68/945783368.db2.gz DSYLUHSSSSZFHH-WTWVRAIASA-N -1 3 383.412 0.975 20 50 GCGDHM COC(=O)C[C@@H]1CCCN1C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821658665 945784236 /nfs/dbraw/zinc/78/42/36/945784236.db2.gz DSYLUHSSSSZFHH-GUNGLEHYSA-N -1 3 383.412 0.975 20 50 GCGDHM COC(=O)C[C@@H]1CCCN1C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821658665 945784245 /nfs/dbraw/zinc/78/42/45/945784245.db2.gz DSYLUHSSSSZFHH-GUNGLEHYSA-N -1 3 383.412 0.975 20 50 GCGDHM CO[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821678382 945798377 /nfs/dbraw/zinc/79/83/77/945798377.db2.gz NCDUHAWNEFDOLO-QWHCGFSZSA-N -1 3 389.416 0.389 20 50 GCGDHM CO[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821678382 945798387 /nfs/dbraw/zinc/79/83/87/945798387.db2.gz NCDUHAWNEFDOLO-QWHCGFSZSA-N -1 3 389.416 0.389 20 50 GCGDHM COC[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821682375 945805220 /nfs/dbraw/zinc/80/52/20/945805220.db2.gz DABIHLVDYAHKJQ-CYBMUJFWSA-N -1 3 377.405 0.247 20 50 GCGDHM CON(C)C(=O)[C@H](CCSC)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000821696676 945830123 /nfs/dbraw/zinc/83/01/23/945830123.db2.gz MCOGDIHJEMIFKC-LBPRGKRZSA-N -1 3 394.461 0.634 20 50 GCGDHM CON(C)C(=O)[C@H](CCSC)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000821696676 945830134 /nfs/dbraw/zinc/83/01/34/945830134.db2.gz MCOGDIHJEMIFKC-LBPRGKRZSA-N -1 3 394.461 0.634 20 50 GCGDHM COc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821795039 945869984 /nfs/dbraw/zinc/86/99/84/945869984.db2.gz SBMAGAGGCNRHTQ-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM COc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821795039 945870000 /nfs/dbraw/zinc/87/00/00/945870000.db2.gz SBMAGAGGCNRHTQ-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM COc1cccc(NCC(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821872406 945892470 /nfs/dbraw/zinc/89/24/70/945892470.db2.gz LQLJLHYUKVDBNH-UHFFFAOYSA-N -1 3 381.396 0.677 20 50 GCGDHM COc1cccc(NCC(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821872406 945892485 /nfs/dbraw/zinc/89/24/85/945892485.db2.gz LQLJLHYUKVDBNH-UHFFFAOYSA-N -1 3 381.396 0.677 20 50 GCGDHM CS[C@H]1CC[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821950405 945909102 /nfs/dbraw/zinc/90/91/02/945909102.db2.gz MYRDRNVXBSYYAV-AAEUAGOBSA-N -1 3 391.457 0.860 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H](C)CS(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822026921 945925047 /nfs/dbraw/zinc/92/50/47/945925047.db2.gz BJVAQSXQUHCLLC-QWGQVVDNSA-N -1 3 392.441 0.645 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H](C)CS(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822026921 945925055 /nfs/dbraw/zinc/92/50/55/945925055.db2.gz BJVAQSXQUHCLLC-QWGQVVDNSA-N -1 3 392.441 0.645 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCOC3(CCOCC3)C2)cc(-c2nnn[n-]2)n1C ZINC000822026916 945926080 /nfs/dbraw/zinc/92/60/80/945926080.db2.gz BICLUCGGFLQNSG-OQLLNIDSSA-N -1 3 397.439 0.829 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCOC3(CCOCC3)C2)cc(-c2nn[n-]n2)n1C ZINC000822026916 945926089 /nfs/dbraw/zinc/92/60/89/945926089.db2.gz BICLUCGGFLQNSG-OQLLNIDSSA-N -1 3 397.439 0.829 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](CC(N)=O)C2)cc(-c2nnn[n-]2)n1C ZINC000822027497 945933273 /nfs/dbraw/zinc/93/32/73/945933273.db2.gz HISAIMBQIKCIIS-OBTCNRAFSA-N -1 3 382.428 0.535 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](CC(N)=O)C2)cc(-c2nn[n-]n2)n1C ZINC000822027497 945933279 /nfs/dbraw/zinc/93/32/79/945933279.db2.gz HISAIMBQIKCIIS-OBTCNRAFSA-N -1 3 382.428 0.535 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc(-c2nn[n-]n2)n1C ZINC000822027486 945933990 /nfs/dbraw/zinc/93/39/90/945933990.db2.gz HHKZSRQNFCUHAT-GEBRQLOPSA-N -1 3 384.444 0.256 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc(-c2nnn[n-]2)n1C ZINC000822027664 945936259 /nfs/dbraw/zinc/93/62/59/945936259.db2.gz IUYQHZLVQJCDLB-UGMNDJHYSA-N -1 3 396.411 0.724 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc(-c2nn[n-]n2)n1C ZINC000822027664 945936279 /nfs/dbraw/zinc/93/62/79/945936279.db2.gz IUYQHZLVQJCDLB-UGMNDJHYSA-N -1 3 396.411 0.724 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc(-c2nnn[n-]2)n1C ZINC000822027648 945936323 /nfs/dbraw/zinc/93/63/23/945936323.db2.gz IUYQHZLVQJCDLB-ACLQVGRQSA-N -1 3 396.411 0.724 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc(-c2nn[n-]n2)n1C ZINC000822027648 945936333 /nfs/dbraw/zinc/93/63/33/945936333.db2.gz IUYQHZLVQJCDLB-ACLQVGRQSA-N -1 3 396.411 0.724 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCn2cc([N+](=O)[O-])cn2)cc(-c2nn[n-]n2)n1C ZINC000822027880 945936380 /nfs/dbraw/zinc/93/63/80/945936380.db2.gz KGUQFFFEQBQMAA-LFYBBSHMSA-N -1 3 397.355 0.769 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2CCN(CC#N)CC2)cc(-c2nnn[n-]2)n1C ZINC000822027950 945938519 /nfs/dbraw/zinc/93/85/19/945938519.db2.gz KNLGWXLLPFBULS-SXGWCWSVSA-N -1 3 393.455 0.772 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2CCN(CC#N)CC2)cc(-c2nn[n-]n2)n1C ZINC000822027950 945938521 /nfs/dbraw/zinc/93/85/21/945938521.db2.gz KNLGWXLLPFBULS-SXGWCWSVSA-N -1 3 393.455 0.772 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2cccnc2)cc(-c2nn[n-]n2)n1C ZINC000822028179 945940101 /nfs/dbraw/zinc/94/01/01/945940101.db2.gz LZZCHRGXSKVINK-QHDPKREISA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000822028831 945950338 /nfs/dbraw/zinc/95/03/38/945950338.db2.gz SKRWMZBCGGEPON-YGLIYXGISA-N -1 3 396.455 0.936 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000822028831 945950343 /nfs/dbraw/zinc/95/03/43/945950343.db2.gz SKRWMZBCGGEPON-YGLIYXGISA-N -1 3 396.455 0.936 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCCS(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822029126 945951013 /nfs/dbraw/zinc/95/10/13/945951013.db2.gz VYBBUWJPUKCOMC-MDWZMJQESA-N -1 3 392.441 0.789 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCCS(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822029126 945951023 /nfs/dbraw/zinc/95/10/23/945951023.db2.gz VYBBUWJPUKCOMC-MDWZMJQESA-N -1 3 392.441 0.789 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)Cc2ccncc2)cc(-c2nn[n-]n2)n1C ZINC000822029057 945951077 /nfs/dbraw/zinc/95/10/77/945951077.db2.gz UTWLLDAWFXESRZ-RIYZIHGNSA-N -1 3 391.395 0.206 20 50 GCGDHM Cc1cc(C)n(CC(=O)NNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822197438 945983232 /nfs/dbraw/zinc/98/32/32/945983232.db2.gz BBXKUWNGMXBLLL-UHFFFAOYSA-N -1 3 399.415 0.089 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1O ZINC000822227837 946008961 /nfs/dbraw/zinc/00/89/61/946008961.db2.gz XQBXUPUDIRHOAA-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1O ZINC000822227837 946008968 /nfs/dbraw/zinc/00/89/68/946008968.db2.gz XQBXUPUDIRHOAA-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822284175 946043673 /nfs/dbraw/zinc/04/36/73/946043673.db2.gz LFRCIXHQFYYMIC-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822284175 946043683 /nfs/dbraw/zinc/04/36/83/946043683.db2.gz LFRCIXHQFYYMIC-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1cccc([C@H](O)CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822288666 946045982 /nfs/dbraw/zinc/04/59/82/946045982.db2.gz FUDVWIJVJSKWBT-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1cccc([C@H](O)CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822288666 946045996 /nfs/dbraw/zinc/04/59/96/946045996.db2.gz FUDVWIJVJSKWBT-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)CN(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822356226 946066379 /nfs/dbraw/zinc/06/63/79/946066379.db2.gz NYNDULRYLBFFCF-UHFFFAOYSA-N -1 3 393.451 0.997 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)CN(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822356226 946066390 /nfs/dbraw/zinc/06/63/90/946066390.db2.gz NYNDULRYLBFFCF-UHFFFAOYSA-N -1 3 393.451 0.997 20 50 GCGDHM Cc1cnc(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822395104 946080323 /nfs/dbraw/zinc/08/03/23/946080323.db2.gz RLOIJZZNVHTYIT-UHFFFAOYSA-N -1 3 388.413 0.541 20 50 GCGDHM Cc1cscc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822414420 946082172 /nfs/dbraw/zinc/08/21/72/946082172.db2.gz FCPIDMUQDQPBPT-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1cscc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822414420 946082183 /nfs/dbraw/zinc/08/21/83/946082183.db2.gz FCPIDMUQDQPBPT-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000822463011 946098927 /nfs/dbraw/zinc/09/89/27/946098927.db2.gz MJYRFSHJOACPQS-LVOZBFFPSA-N -1 3 392.427 0.972 20 50 GCGDHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000822463011 946098939 /nfs/dbraw/zinc/09/89/39/946098939.db2.gz MJYRFSHJOACPQS-LVOZBFFPSA-N -1 3 392.427 0.972 20 50 GCGDHM Cc1nn(C)c(C)c1CN(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822492223 946105314 /nfs/dbraw/zinc/10/53/14/946105314.db2.gz VYLXHEQTKWFODI-UHFFFAOYSA-N -1 3 397.443 0.110 20 50 GCGDHM Cc1nn(C)c(C)c1CN(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822492223 946105322 /nfs/dbraw/zinc/10/53/22/946105322.db2.gz VYLXHEQTKWFODI-UHFFFAOYSA-N -1 3 397.443 0.110 20 50 GCGDHM Cn1c(CC(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)nc2ccccc21 ZINC000822596452 946133157 /nfs/dbraw/zinc/13/31/57/946133157.db2.gz KBEOYVXOULTCDX-UHFFFAOYSA-N -1 3 390.407 0.686 20 50 GCGDHM Cn1c(CC(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)nc2ccccc21 ZINC000822596452 946133163 /nfs/dbraw/zinc/13/31/63/946133163.db2.gz KBEOYVXOULTCDX-UHFFFAOYSA-N -1 3 390.407 0.686 20 50 GCGDHM Cn1nc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1=O ZINC000822705193 946164219 /nfs/dbraw/zinc/16/42/19/946164219.db2.gz ZJJXKQCPRLSZEZ-UHFFFAOYSA-N -1 3 380.290 0.736 20 50 GCGDHM Cn1nc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1=O ZINC000822705193 946164227 /nfs/dbraw/zinc/16/42/27/946164227.db2.gz ZJJXKQCPRLSZEZ-UHFFFAOYSA-N -1 3 380.290 0.736 20 50 GCGDHM Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822907479 946215875 /nfs/dbraw/zinc/21/58/75/946215875.db2.gz OIQACGYFXPNVAW-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822907479 946215886 /nfs/dbraw/zinc/21/58/86/946215886.db2.gz OIQACGYFXPNVAW-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNC(=O)Cc1cn2ccccc2n1 ZINC000822929393 946223471 /nfs/dbraw/zinc/22/34/71/946223471.db2.gz UAVPLWMROLZHKT-HJWRWDBZSA-N -1 3 388.391 0.918 20 50 GCGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNC(=O)Cc1cn2ccccc2n1 ZINC000822929393 946223486 /nfs/dbraw/zinc/22/34/86/946223486.db2.gz UAVPLWMROLZHKT-HJWRWDBZSA-N -1 3 388.391 0.918 20 50 GCGDHM O=C(CN1CCC(n2cccn2)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822992824 946249729 /nfs/dbraw/zinc/24/97/29/946249729.db2.gz NCOBJRUPCXZSIU-UHFFFAOYSA-N -1 3 395.427 0.161 20 50 GCGDHM O=C(CN1CC[C@@H]1Cc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822993920 946255251 /nfs/dbraw/zinc/25/52/51/946255251.db2.gz ZBMFHYMHHLWXLX-QGZVFWFLSA-N -1 3 391.435 0.945 20 50 GCGDHM O=C(CN1CC[C@@H]1Cc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822993920 946255256 /nfs/dbraw/zinc/25/52/56/946255256.db2.gz ZBMFHYMHHLWXLX-QGZVFWFLSA-N -1 3 391.435 0.945 20 50 GCGDHM O=C(CN1CCC[C@@H](n2ccnc2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822997115 946255792 /nfs/dbraw/zinc/25/57/92/946255792.db2.gz NLTNCVJPGWFZIM-OAHLLOKOSA-N -1 3 395.427 0.161 20 50 GCGDHM O=C(CN1CCc2ccc(O)cc2C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823001842 946262306 /nfs/dbraw/zinc/26/23/06/946262306.db2.gz PKXSTXXMSAAPSI-UHFFFAOYSA-N -1 3 393.407 0.392 20 50 GCGDHM O=C(CN1CCc2ccc(O)cc2C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823001842 946262316 /nfs/dbraw/zinc/26/23/16/946262316.db2.gz PKXSTXXMSAAPSI-UHFFFAOYSA-N -1 3 393.407 0.392 20 50 GCGDHM O=C(C=Cc1cccs1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018471 946272819 /nfs/dbraw/zinc/27/28/19/946272819.db2.gz ORSSTJHNQIOARH-VOTSOKGWSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(C=Cc1cccs1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018471 946272829 /nfs/dbraw/zinc/27/28/29/946272829.db2.gz ORSSTJHNQIOARH-VOTSOKGWSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(COC(=O)c1cc(Cl)c[nH]1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823027481 946280786 /nfs/dbraw/zinc/28/07/86/946280786.db2.gz VFIDCZZNEAKWOW-UHFFFAOYSA-N -1 3 389.759 0.466 20 50 GCGDHM O=C(COC(=O)c1cc(Cl)c[nH]1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823027481 946280793 /nfs/dbraw/zinc/28/07/93/946280793.db2.gz VFIDCZZNEAKWOW-UHFFFAOYSA-N -1 3 389.759 0.466 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1COc2ccccc2C1 ZINC000823036578 946285377 /nfs/dbraw/zinc/28/53/77/946285377.db2.gz HYBOXYXGJSRQKS-CQSZACIVSA-N -1 3 394.391 0.644 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000823037181 946287241 /nfs/dbraw/zinc/28/72/41/946287241.db2.gz SJYLSRGNFNZMSR-UHFFFAOYSA-N -1 3 397.399 0.015 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCCOC1CCC1 ZINC000823037413 946289723 /nfs/dbraw/zinc/28/97/23/946289723.db2.gz XRALYXVRKOMJSG-UHFFFAOYSA-N -1 3 375.389 0.145 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000823050138 946296441 /nfs/dbraw/zinc/29/64/41/946296441.db2.gz QRIVMZUQZJRLQM-LBPRGKRZSA-N -1 3 397.399 0.377 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000823050138 946296449 /nfs/dbraw/zinc/29/64/49/946296449.db2.gz QRIVMZUQZJRLQM-LBPRGKRZSA-N -1 3 397.399 0.377 20 50 GCGDHM O=C(COc1ccccc1O)NNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823055248 946298104 /nfs/dbraw/zinc/29/81/04/946298104.db2.gz MMFXKTKTAXHPSP-UHFFFAOYSA-N -1 3 387.331 0.943 20 50 GCGDHM O=C(COc1ccccc1O)NNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823055248 946298118 /nfs/dbraw/zinc/29/81/18/946298118.db2.gz MMFXKTKTAXHPSP-UHFFFAOYSA-N -1 3 387.331 0.943 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823103286 946310014 /nfs/dbraw/zinc/31/00/14/946310014.db2.gz CXOCEVVLRAOTQF-UHFFFAOYSA-N -1 3 376.380 0.447 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823103286 946310020 /nfs/dbraw/zinc/31/00/20/946310020.db2.gz CXOCEVVLRAOTQF-UHFFFAOYSA-N -1 3 376.380 0.447 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN1c1ncccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000823273336 946378158 /nfs/dbraw/zinc/37/81/58/946378158.db2.gz KHCHBPSLMLANCG-CYBMUJFWSA-N -1 3 379.384 0.087 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN1c1ncccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000823273336 946378170 /nfs/dbraw/zinc/37/81/70/946378170.db2.gz KHCHBPSLMLANCG-CYBMUJFWSA-N -1 3 379.384 0.087 20 50 GCGDHM O=C(NNC(=O)N1CC[C@H](Oc2ccccn2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277041 946393859 /nfs/dbraw/zinc/39/38/59/946393859.db2.gz CTUAYHDCRDDOPU-AWEZNQCLSA-N -1 3 394.395 0.769 20 50 GCGDHM O=C(NNC(=O)N1CC[C@H](Oc2ccccn2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277041 946393871 /nfs/dbraw/zinc/39/38/71/946393871.db2.gz CTUAYHDCRDDOPU-AWEZNQCLSA-N -1 3 394.395 0.769 20 50 GCGDHM C[C@H](Oc1cccc(CO)c1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824739054 946920358 /nfs/dbraw/zinc/92/03/58/946920358.db2.gz UQGITOLSEGHRAS-NSHDSACASA-N -1 3 382.380 0.588 20 50 GCGDHM C[C@H](Oc1cccc(CO)c1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824739054 946920367 /nfs/dbraw/zinc/92/03/67/946920367.db2.gz UQGITOLSEGHRAS-NSHDSACASA-N -1 3 382.380 0.588 20 50 GCGDHM CC(=O)c1ccc(NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)nc1 ZINC001573556914 946931817 /nfs/dbraw/zinc/93/18/17/946931817.db2.gz ZIAWYKUIPAEYQJ-UHFFFAOYSA-N -1 3 396.367 0.696 20 50 GCGDHM CC(=O)c1ccc(NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)nc1 ZINC001573556914 946931826 /nfs/dbraw/zinc/93/18/26/946931826.db2.gz ZIAWYKUIPAEYQJ-UHFFFAOYSA-N -1 3 396.367 0.696 20 50 GCGDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CBr ZINC000826159229 947501238 /nfs/dbraw/zinc/50/12/38/947501238.db2.gz XTPPCRSHNXOUPI-UHFFFAOYSA-N -1 3 390.263 0.997 20 50 GCGDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CBr ZINC000826159229 947501243 /nfs/dbraw/zinc/50/12/43/947501243.db2.gz XTPPCRSHNXOUPI-UHFFFAOYSA-N -1 3 390.263 0.997 20 50 GCGDHM CS(=O)(=O)c1cccc(NNC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826223823 947659305 /nfs/dbraw/zinc/65/93/05/947659305.db2.gz BQBXDEPFZRCSTC-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM CS(=O)(=O)c1cccc(NNC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826223823 947659311 /nfs/dbraw/zinc/65/93/11/947659311.db2.gz BQBXDEPFZRCSTC-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM CSC[C@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826228324 947669291 /nfs/dbraw/zinc/66/92/91/947669291.db2.gz LORDMZKBLCPGAQ-UWUHSAQLSA-N -1 3 375.458 0.651 20 50 GCGDHM CSC[C@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826228324 947669297 /nfs/dbraw/zinc/66/92/97/947669297.db2.gz LORDMZKBLCPGAQ-UWUHSAQLSA-N -1 3 375.458 0.651 20 50 GCGDHM Cn1cnc(-c2ccc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826364873 948142701 /nfs/dbraw/zinc/14/27/01/948142701.db2.gz PCFBSQCPSRIYON-UHFFFAOYSA-N -1 3 389.379 0.737 20 50 GCGDHM Cn1cnc(-c2ccc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826364873 948142702 /nfs/dbraw/zinc/14/27/02/948142702.db2.gz PCFBSQCPSRIYON-UHFFFAOYSA-N -1 3 389.379 0.737 20 50 GCGDHM O=C(COC(=O)c1cccc(F)n1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416171 948256479 /nfs/dbraw/zinc/25/64/79/948256479.db2.gz LRQDHHHVDLDWDL-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COC(=O)c1cccc(F)n1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416171 948256490 /nfs/dbraw/zinc/25/64/90/948256490.db2.gz LRQDHHHVDLDWDL-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=S(=O)(CBr)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826483854 948397442 /nfs/dbraw/zinc/39/74/42/948397442.db2.gz CFURUOXNEFGQPQ-UHFFFAOYSA-N -1 3 388.251 0.066 20 50 GCGDHM O=S(=O)(CBr)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826483854 948397450 /nfs/dbraw/zinc/39/74/50/948397450.db2.gz CFURUOXNEFGQPQ-UHFFFAOYSA-N -1 3 388.251 0.066 20 50 GCGDHM O=C([O-])Cn1cc(C=NNC(=O)CCN2CCN(c3ccccc3)CC2)nn1 ZINC001333604013 961722295 /nfs/dbraw/zinc/72/22/95/961722295.db2.gz HSBJENGNDBFZBP-UHFFFAOYSA-N -1 3 385.428 0.025 20 50 GCGDHM CNS(=O)(=O)c1csc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826089993 607337586 /nfs/dbraw/zinc/33/75/86/607337586.db2.gz BNKYJASGQFRMOK-UHFFFAOYSA-N -1 3 379.427 0.593 20 50 GCGDHM CNS(=O)(=O)c1csc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826089993 607337587 /nfs/dbraw/zinc/33/75/87/607337587.db2.gz BNKYJASGQFRMOK-UHFFFAOYSA-N -1 3 379.427 0.593 20 50 GCGDHM Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826328865 607340768 /nfs/dbraw/zinc/34/07/68/607340768.db2.gz HQPHKLVRSIJNHG-UHFFFAOYSA-N -1 3 393.415 0.579 20 50 GCGDHM C#CCNS(=O)(=O)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823850535 607346228 /nfs/dbraw/zinc/34/62/28/607346228.db2.gz QXSARHUGOONIRU-UHFFFAOYSA-N -1 3 397.420 0.535 20 50 GCGDHM CCS(=O)(=O)N1CCC(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825663075 607343020 /nfs/dbraw/zinc/34/30/20/607343020.db2.gz HVSOWVDHXHXSHX-UHFFFAOYSA-N -1 3 379.446 0.372 20 50 GCGDHM CC1CCC2(CC1)NC(=O)N(CC(=O)NNc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000824919816 607344205 /nfs/dbraw/zinc/34/42/05/607344205.db2.gz ZEIBIWQJJPDGIZ-UHFFFAOYSA-N -1 3 398.427 0.811 20 50 GCGDHM CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825662684 607344322 /nfs/dbraw/zinc/34/43/22/607344322.db2.gz AMHJQNZXKWGDMP-LBPRGKRZSA-N -1 3 399.502 0.371 20 50 GCGDHM NC(=O)[C@H]1CC(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)=NN1c1ccccc1 ZINC000826390249 607349411 /nfs/dbraw/zinc/34/94/11/607349411.db2.gz VBKLNAGZYDRZOQ-OAHLLOKOSA-N -1 3 391.395 0.430 20 50 GCGDHM Cn1cc([C@H]2[C@H](C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCC(=O)N2C)cn1 ZINC000826010120 607350220 /nfs/dbraw/zinc/35/02/20/607350220.db2.gz DKSVCLZESAVOHJ-ZBFHGGJFSA-N -1 3 395.427 0.653 20 50 GCGDHM C[C@H](C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1C(=O)CCC1=O ZINC000824040203 607394178 /nfs/dbraw/zinc/39/41/78/607394178.db2.gz MWIDKSFQAYZSBX-SSDOTTSWSA-N -1 3 397.317 0.866 20 50 GCGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1C(=O)CCC1=O ZINC000824040203 607394180 /nfs/dbraw/zinc/39/41/80/607394180.db2.gz MWIDKSFQAYZSBX-SSDOTTSWSA-N -1 3 397.317 0.866 20 50 GCGDHM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824109577 607462504 /nfs/dbraw/zinc/46/25/04/607462504.db2.gz RQIXARUVFWZTBE-NSHDSACASA-N -1 3 390.404 0.079 20 50 GCGDHM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824109577 607462506 /nfs/dbraw/zinc/46/25/06/607462506.db2.gz RQIXARUVFWZTBE-NSHDSACASA-N -1 3 390.404 0.079 20 50 GCGDHM NS(=O)(=O)c1ccc(OCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826395050 607463499 /nfs/dbraw/zinc/46/34/99/607463499.db2.gz KZJZFPQISKHQNI-UHFFFAOYSA-N -1 3 389.397 0.036 20 50 GCGDHM NS(=O)(=O)c1ccc(OCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826395050 607463500 /nfs/dbraw/zinc/46/35/00/607463500.db2.gz KZJZFPQISKHQNI-UHFFFAOYSA-N -1 3 389.397 0.036 20 50 GCGDHM Cc1c(NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826243016 607464795 /nfs/dbraw/zinc/46/47/95/607464795.db2.gz QIPKHDRYVWGMQT-UHFFFAOYSA-N -1 3 396.367 0.956 20 50 GCGDHM Cc1c(NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826243016 607464796 /nfs/dbraw/zinc/46/47/96/607464796.db2.gz QIPKHDRYVWGMQT-UHFFFAOYSA-N -1 3 396.367 0.956 20 50 GCGDHM O=C(CNC(=O)c1ccc2c(c1)OCO2)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826412651 607465212 /nfs/dbraw/zinc/46/52/12/607465212.db2.gz XDMMGEQXTLVHOF-UHFFFAOYSA-N -1 3 381.352 0.469 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccncc2)cc(-c2nnn[n-]2)n1C ZINC000826235387 607562070 /nfs/dbraw/zinc/56/20/70/607562070.db2.gz IYVLLYHDTZDSCH-ACQAZONXSA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccncc2)cc(-c2nn[n-]n2)n1C ZINC000826235387 607562072 /nfs/dbraw/zinc/56/20/72/607562072.db2.gz IYVLLYHDTZDSCH-ACQAZONXSA-N -1 3 378.396 0.665 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000826200233 607565162 /nfs/dbraw/zinc/56/51/62/607565162.db2.gz FWURTIPHDPCIGS-UHFFFAOYSA-N -1 3 392.379 0.891 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000826200233 607565163 /nfs/dbraw/zinc/56/51/63/607565163.db2.gz FWURTIPHDPCIGS-UHFFFAOYSA-N -1 3 392.379 0.891 20 50 GCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 ZINC000826249817 607648088 /nfs/dbraw/zinc/64/80/88/607648088.db2.gz WHGNWWJRAIYRPF-OAHLLOKOSA-N -1 3 380.364 0.776 20 50 GCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 ZINC000826249817 607648090 /nfs/dbraw/zinc/64/80/90/607648090.db2.gz WHGNWWJRAIYRPF-OAHLLOKOSA-N -1 3 380.364 0.776 20 50 GCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)COc1ccc(C#N)cc1 ZINC000826249422 607648543 /nfs/dbraw/zinc/64/85/43/607648543.db2.gz BYPANNWYMJPXIX-UHFFFAOYSA-N -1 3 377.364 0.887 20 50 GCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)COc1ccc(C#N)cc1 ZINC000826249422 607648545 /nfs/dbraw/zinc/64/85/45/607648545.db2.gz BYPANNWYMJPXIX-UHFFFAOYSA-N -1 3 377.364 0.887 20 50 GCGDHM CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825643708 607682507 /nfs/dbraw/zinc/68/25/07/607682507.db2.gz RWQVHNJCGDVHNP-JTQLQIEISA-N -1 3 385.384 0.822 20 50 GCGDHM CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825643708 607682509 /nfs/dbraw/zinc/68/25/09/607682509.db2.gz RWQVHNJCGDVHNP-JTQLQIEISA-N -1 3 385.384 0.822 20 50 GCGDHM COc1cc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc(OC)c1OC ZINC000826177092 607681102 /nfs/dbraw/zinc/68/11/02/607681102.db2.gz QXSXPIBVSXRHMY-UHFFFAOYSA-N -1 3 387.356 0.295 20 50 GCGDHM COc1cc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc(OC)c1OC ZINC000826177092 607681104 /nfs/dbraw/zinc/68/11/04/607681104.db2.gz QXSXPIBVSXRHMY-UHFFFAOYSA-N -1 3 387.356 0.295 20 50 GCGDHM CN(C)c1ccc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000825875634 607682610 /nfs/dbraw/zinc/68/26/10/607682610.db2.gz UBODRYXXJPBVLR-UHFFFAOYSA-N -1 3 399.386 0.912 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C[C@@H]1CSCCS1 ZINC000826417088 607683811 /nfs/dbraw/zinc/68/38/11/607683811.db2.gz DCXFGBAGGDKPGP-GFCCVEGCSA-N -1 3 394.482 0.632 20 50 GCGDHM CS(=O)(=O)NCc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000826223402 607715160 /nfs/dbraw/zinc/71/51/60/607715160.db2.gz LPTHVVHQPMQTRC-UHFFFAOYSA-N -1 3 377.386 0.266 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824650406 607717081 /nfs/dbraw/zinc/71/70/81/607717081.db2.gz RIWLECKSOFSHLF-SECBINFHSA-N -1 3 393.454 0.738 20 50 GCGDHM O=C(CCc1nc(-c2ncccn2)no1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409411 607717417 /nfs/dbraw/zinc/71/74/17/607717417.db2.gz XRHKKBRUCYWORH-UHFFFAOYSA-N -1 3 378.356 0.783 20 50 GCGDHM O=C(CCc1nc(-c2ncccn2)no1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409411 607717418 /nfs/dbraw/zinc/71/74/18/607717418.db2.gz XRHKKBRUCYWORH-UHFFFAOYSA-N -1 3 378.356 0.783 20 50 GCGDHM CS(=O)(=O)NCc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000826223402 607715158 /nfs/dbraw/zinc/71/51/58/607715158.db2.gz LPTHVVHQPMQTRC-UHFFFAOYSA-N -1 3 377.386 0.266 20 50 GCGDHM C#CCNS(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823849832 607721833 /nfs/dbraw/zinc/72/18/33/607721833.db2.gz AQIMQJXGNDOVPZ-UHFFFAOYSA-N -1 3 397.420 0.535 20 50 GCGDHM C#CCNS(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823849832 607721834 /nfs/dbraw/zinc/72/18/34/607721834.db2.gz AQIMQJXGNDOVPZ-UHFFFAOYSA-N -1 3 397.420 0.535 20 50 GCGDHM CC(C)(C)OC(=O)NCCOCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824114149 607725207 /nfs/dbraw/zinc/72/52/07/607725207.db2.gz KSNDNVMXBWSZLR-UHFFFAOYSA-N -1 3 377.405 0.851 20 50 GCGDHM CC(C)(C)OC(=O)NCCOCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824114149 607725208 /nfs/dbraw/zinc/72/52/08/607725208.db2.gz KSNDNVMXBWSZLR-UHFFFAOYSA-N -1 3 377.405 0.851 20 50 GCGDHM C[C@@]1(c2cccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c2)NC(=O)NC1=O ZINC000824844167 607733343 /nfs/dbraw/zinc/73/33/43/607733343.db2.gz RAWLWDOVEZSRBS-SFHVURJKSA-N -1 3 392.379 0.678 20 50 GCGDHM Cc1cc(S(N)(=O)=O)cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826272382 607756156 /nfs/dbraw/zinc/75/61/56/607756156.db2.gz GPEQUAUNCWEULZ-UHFFFAOYSA-N -1 3 387.425 0.888 20 50 GCGDHM Cc1cc(S(N)(=O)=O)cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826272382 607756157 /nfs/dbraw/zinc/75/61/57/607756157.db2.gz GPEQUAUNCWEULZ-UHFFFAOYSA-N -1 3 387.425 0.888 20 50 GCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000823280986 606127414 /nfs/dbraw/zinc/12/74/14/606127414.db2.gz KTJIDEPUCDTKKJ-ZETCQYMHSA-N -1 3 390.347 0.763 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000823280986 606127416 /nfs/dbraw/zinc/12/74/16/606127416.db2.gz KTJIDEPUCDTKKJ-ZETCQYMHSA-N -1 3 390.347 0.763 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823281009 606163708 /nfs/dbraw/zinc/16/37/08/606163708.db2.gz LLLHXSPWVGRPNW-CQSZACIVSA-N -1 3 386.416 0.273 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823281009 606163710 /nfs/dbraw/zinc/16/37/10/606163710.db2.gz LLLHXSPWVGRPNW-CQSZACIVSA-N -1 3 386.416 0.273 20 50 GCGDHM O=C(COC(=O)C(C1CC1)C1CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826414989 607806712 /nfs/dbraw/zinc/80/67/12/607806712.db2.gz NUEDVDPJFBHAJY-UHFFFAOYSA-N -1 3 384.396 0.607 20 50 GCGDHM O=C(COC(=O)C(C1CC1)C1CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826414989 607806713 /nfs/dbraw/zinc/80/67/13/607806713.db2.gz NUEDVDPJFBHAJY-UHFFFAOYSA-N -1 3 384.396 0.607 20 50 GCGDHM CC(=O)OC1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000824005506 607807616 /nfs/dbraw/zinc/80/76/16/607807616.db2.gz VMQUUXNAEGDXFW-ZSOIEALJSA-N -1 3 383.412 0.975 20 50 GCGDHM CC(=O)OC1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000824005506 607807617 /nfs/dbraw/zinc/80/76/17/607807617.db2.gz VMQUUXNAEGDXFW-ZSOIEALJSA-N -1 3 383.412 0.975 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826444961 607823847 /nfs/dbraw/zinc/82/38/47/607823847.db2.gz ARYZOUXMKIPIJD-MCIONIFRSA-N -1 3 383.412 0.768 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826444961 607823848 /nfs/dbraw/zinc/82/38/48/607823848.db2.gz ARYZOUXMKIPIJD-MCIONIFRSA-N -1 3 383.412 0.768 20 50 GCGDHM Nc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826395467 607856670 /nfs/dbraw/zinc/85/66/70/607856670.db2.gz CYROVNQJRYIYNM-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM Nc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826395467 607856671 /nfs/dbraw/zinc/85/66/71/607856671.db2.gz CYROVNQJRYIYNM-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM N#Cc1ccccc1C=NNC(=O)C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826387272 607882233 /nfs/dbraw/zinc/88/22/33/607882233.db2.gz NCWIJKRLLIUMDI-UHFFFAOYSA-N -1 3 387.363 0.339 20 50 GCGDHM N#Cc1ccccc1C=NNC(=O)C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826387272 607882234 /nfs/dbraw/zinc/88/22/34/607882234.db2.gz NCWIJKRLLIUMDI-UHFFFAOYSA-N -1 3 387.363 0.339 20 50 GCGDHM O=C(NN=CCN1C(=O)c2ccccc2C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826444366 607889064 /nfs/dbraw/zinc/88/90/64/607889064.db2.gz CHLPSXSJFCJZSY-UHFFFAOYSA-N -1 3 375.348 0.879 20 50 GCGDHM O=C(NN=CCN1C(=O)c2ccccc2C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826444366 607889065 /nfs/dbraw/zinc/88/90/65/607889065.db2.gz CHLPSXSJFCJZSY-UHFFFAOYSA-N -1 3 375.348 0.879 20 50 GCGDHM CN(C)S(=O)(=O)c1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)co1 ZINC000825875260 607908478 /nfs/dbraw/zinc/90/84/78/607908478.db2.gz HLYWQSIHORMRAW-UHFFFAOYSA-N -1 3 377.386 0.467 20 50 GCGDHM CN(C)S(=O)(=O)c1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)co1 ZINC000825875260 607908479 /nfs/dbraw/zinc/90/84/79/607908479.db2.gz HLYWQSIHORMRAW-UHFFFAOYSA-N -1 3 377.386 0.467 20 50 GCGDHM Cn1ccnc1[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826364046 607912057 /nfs/dbraw/zinc/91/20/57/607912057.db2.gz JBXFXDJLZVYNDN-ZDUSSCGKSA-N -1 3 381.400 0.444 20 50 GCGDHM Cn1ccnc1[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826364046 607912058 /nfs/dbraw/zinc/91/20/58/607912058.db2.gz JBXFXDJLZVYNDN-ZDUSSCGKSA-N -1 3 381.400 0.444 20 50 GCGDHM O=C(CN1CCO[C@@H]2CCCC[C@H]21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411362 607922242 /nfs/dbraw/zinc/92/22/42/607922242.db2.gz WBYDPIJVALIINQ-HUUCEWRRSA-N -1 3 385.428 0.271 20 50 GCGDHM O=C(CN1CCO[C@@H]2CCCC[C@H]21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411362 607922243 /nfs/dbraw/zinc/92/22/43/607922243.db2.gz WBYDPIJVALIINQ-HUUCEWRRSA-N -1 3 385.428 0.271 20 50 GCGDHM O=C(CN(CCO)Cc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409496 607922959 /nfs/dbraw/zinc/92/29/59/607922959.db2.gz BWQZZJSNRPFLPX-UHFFFAOYSA-N -1 3 395.423 0.122 20 50 GCGDHM O=C(CN(CCO)Cc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409496 607922960 /nfs/dbraw/zinc/92/29/60/607922960.db2.gz BWQZZJSNRPFLPX-UHFFFAOYSA-N -1 3 395.423 0.122 20 50 GCGDHM C[C@@H]1SCCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC000825022515 607923566 /nfs/dbraw/zinc/92/35/66/607923566.db2.gz XZIPBZBZOPAFCU-QWRGUYRKSA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@@H]1SCCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC000825022515 607923567 /nfs/dbraw/zinc/92/35/67/607923567.db2.gz XZIPBZBZOPAFCU-QWRGUYRKSA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@@H]1[C@H](C)SCCN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825022512 607923587 /nfs/dbraw/zinc/92/35/87/607923587.db2.gz XZIPBZBZOPAFCU-MNOVXSKESA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@@H]1[C@H](C)SCCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825022512 607923588 /nfs/dbraw/zinc/92/35/88/607923588.db2.gz XZIPBZBZOPAFCU-MNOVXSKESA-N -1 3 375.458 0.454 20 50 GCGDHM O=C(CN1CCC[C@@H]1c1ccc[nH]1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410760 607924797 /nfs/dbraw/zinc/92/47/97/607924797.db2.gz XOXVLGKAQDMPLF-OAHLLOKOSA-N -1 3 380.412 0.793 20 50 GCGDHM O=C(CN1CCC[C@@H]1c1ccc[nH]1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410760 607924798 /nfs/dbraw/zinc/92/47/98/607924798.db2.gz XOXVLGKAQDMPLF-OAHLLOKOSA-N -1 3 380.412 0.793 20 50 GCGDHM O=C(NNC(=O)c1cncc(N2CCOCC2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445066 607938376 /nfs/dbraw/zinc/93/83/76/607938376.db2.gz FRBHHVVZWUBHMM-UHFFFAOYSA-N -1 3 394.395 0.173 20 50 GCGDHM C=CCCOCCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823899007 607958964 /nfs/dbraw/zinc/95/89/64/607958964.db2.gz HRAFPPZQKNBXLC-UHFFFAOYSA-N -1 3 375.389 0.169 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=S)NC[C@@H]1CCCCO1 ZINC000826417114 607966884 /nfs/dbraw/zinc/96/68/84/607966884.db2.gz DUWMJBVMHHYYAG-ZDUSSCGKSA-N -1 3 391.457 0.310 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824670455 607979198 /nfs/dbraw/zinc/97/91/98/607979198.db2.gz OYHDTTWIOPTDEF-GOSISDBHSA-N -1 3 399.386 0.858 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824670455 607979199 /nfs/dbraw/zinc/97/91/99/607979199.db2.gz OYHDTTWIOPTDEF-GOSISDBHSA-N -1 3 399.386 0.858 20 50 GCGDHM N#CCOc1cccc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826382294 608025874 /nfs/dbraw/zinc/02/58/74/608025874.db2.gz XISMVLLOSDGTMF-UHFFFAOYSA-N -1 3 377.364 0.773 20 50 GCGDHM N#CCOc1cccc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826382294 608025875 /nfs/dbraw/zinc/02/58/75/608025875.db2.gz XISMVLLOSDGTMF-UHFFFAOYSA-N -1 3 377.364 0.773 20 50 GCGDHM N#CCOc1cccc(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826381907 608025950 /nfs/dbraw/zinc/02/59/50/608025950.db2.gz FGDFDJLHIPNAKD-UHFFFAOYSA-N -1 3 377.364 0.773 20 50 GCGDHM N#CCOc1cccc(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826381907 608025951 /nfs/dbraw/zinc/02/59/51/608025951.db2.gz FGDFDJLHIPNAKD-UHFFFAOYSA-N -1 3 377.364 0.773 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(OCC(F)F)nc1 ZINC000826445117 608058518 /nfs/dbraw/zinc/05/85/18/608058518.db2.gz HLTCOWMQQNFAQQ-UHFFFAOYSA-N -1 3 389.322 0.980 20 50 GCGDHM COC(=O)[C@@H](CC(F)F)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826104198 608090387 /nfs/dbraw/zinc/09/03/87/608090387.db2.gz RNKFBVIDAZWSDH-LLMHMKPQSA-N -1 3 393.354 0.734 20 50 GCGDHM COC(=O)[C@@H](CC(F)F)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826104198 608090388 /nfs/dbraw/zinc/09/03/88/608090388.db2.gz RNKFBVIDAZWSDH-LLMHMKPQSA-N -1 3 393.354 0.734 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(CCO)Cc2cccnc2)cc(-c2nn[n-]n2)n1C ZINC000826236080 608107109 /nfs/dbraw/zinc/10/71/09/608107109.db2.gz XYFNPDYJNBTBEM-LZYBPNLTSA-N -1 3 392.423 0.837 20 50 GCGDHM O=C(NNc1ccccn1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826449229 608141378 /nfs/dbraw/zinc/14/13/78/608141378.db2.gz IICRILJNBYUIPA-UHFFFAOYSA-N -1 3 390.310 0.945 20 50 GCGDHM O=C(NNc1ccccn1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826449229 608141379 /nfs/dbraw/zinc/14/13/79/608141379.db2.gz IICRILJNBYUIPA-UHFFFAOYSA-N -1 3 390.310 0.945 20 50 GCGDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NNc1cccc(OC)n1 ZINC000825621483 608141925 /nfs/dbraw/zinc/14/19/25/608141925.db2.gz UVGDORIRTQYOIG-UHFFFAOYSA-N -1 3 398.383 0.751 20 50 GCGDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NNc1cccc(OC)n1 ZINC000825621483 608141926 /nfs/dbraw/zinc/14/19/26/608141926.db2.gz UVGDORIRTQYOIG-UHFFFAOYSA-N -1 3 398.383 0.751 20 50 GCGDHM COc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826192548 608166609 /nfs/dbraw/zinc/16/66/09/608166609.db2.gz RTBXDGCYSMOULY-UHFFFAOYSA-N -1 3 396.411 0.163 20 50 GCGDHM COc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826192548 608166611 /nfs/dbraw/zinc/16/66/11/608166611.db2.gz RTBXDGCYSMOULY-UHFFFAOYSA-N -1 3 396.411 0.163 20 50 GCGDHM C[C@@H]1C[C@H](CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824885010 608203782 /nfs/dbraw/zinc/20/37/82/608203782.db2.gz QNYVCMTWGYCXPG-VXGBXAGGSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H]1C[C@H](CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824885010 608203784 /nfs/dbraw/zinc/20/37/84/608203784.db2.gz QNYVCMTWGYCXPG-VXGBXAGGSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H]1C[C@@H](CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824885007 608203860 /nfs/dbraw/zinc/20/38/60/608203860.db2.gz QNYVCMTWGYCXPG-NEPJUHHUSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H]1C[C@@H](CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824885007 608203861 /nfs/dbraw/zinc/20/38/61/608203861.db2.gz QNYVCMTWGYCXPG-NEPJUHHUSA-N -1 3 389.416 0.391 20 50 GCGDHM CCc1nn(C)c(OC)c1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825759975 608252952 /nfs/dbraw/zinc/25/29/52/608252952.db2.gz RFWMMSBSNZRSCE-UHFFFAOYSA-N -1 3 399.415 0.315 20 50 GCGDHM CCc1nn(C)c(OC)c1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825759975 608252953 /nfs/dbraw/zinc/25/29/53/608252953.db2.gz RFWMMSBSNZRSCE-UHFFFAOYSA-N -1 3 399.415 0.315 20 50 GCGDHM CCc1nn(C)c(OC)c1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825760310 608254555 /nfs/dbraw/zinc/25/45/55/608254555.db2.gz UTXLPWRCLQALEZ-UHFFFAOYSA-N -1 3 399.415 0.315 20 50 GCGDHM CCc1nn(C)c(OC)c1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825760310 608254557 /nfs/dbraw/zinc/25/45/57/608254557.db2.gz UTXLPWRCLQALEZ-UHFFFAOYSA-N -1 3 399.415 0.315 20 50 GCGDHM C[C@H]1CSC(SCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)=N1 ZINC000825013047 608265815 /nfs/dbraw/zinc/26/58/15/608265815.db2.gz NTLSNNNOYCQXIE-QMMMGPOBSA-N -1 3 377.455 0.852 20 50 GCGDHM C[C@H]1CSC(SCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)=N1 ZINC000825013047 608265816 /nfs/dbraw/zinc/26/58/16/608265816.db2.gz NTLSNNNOYCQXIE-QMMMGPOBSA-N -1 3 377.455 0.852 20 50 GCGDHM CS[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826225215 608373023 /nfs/dbraw/zinc/37/30/23/608373023.db2.gz WONYGBIQBPXHKW-VIFPVBQESA-N -1 3 378.414 0.313 20 50 GCGDHM CS[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826225215 608373025 /nfs/dbraw/zinc/37/30/25/608373025.db2.gz WONYGBIQBPXHKW-VIFPVBQESA-N -1 3 378.414 0.313 20 50 GCGDHM O=C(NNC(=O)N1CCC(c2cc[nH]n2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444430 608413959 /nfs/dbraw/zinc/41/39/59/608413959.db2.gz GFBSBIDYNRCDKD-UHFFFAOYSA-N -1 3 381.400 0.824 20 50 GCGDHM O=C(CN1CCC[C@@H]1c1ccncc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410139 608457569 /nfs/dbraw/zinc/45/75/69/608457569.db2.gz DCCUXGPNILJQDA-MRXNPFEDSA-N -1 3 392.423 0.860 20 50 GCGDHM O=C(CN1CCC[C@@H]1c1ccncc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410139 608457570 /nfs/dbraw/zinc/45/75/70/608457570.db2.gz DCCUXGPNILJQDA-MRXNPFEDSA-N -1 3 392.423 0.860 20 50 GCGDHM CC[C@H](CSC)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825126145 608538304 /nfs/dbraw/zinc/53/83/04/608538304.db2.gz HOGWNHRKGDUKAV-SNVBAGLBSA-N -1 3 379.446 0.718 20 50 GCGDHM CC[C@H](CSC)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825126145 608538305 /nfs/dbraw/zinc/53/83/05/608538305.db2.gz HOGWNHRKGDUKAV-SNVBAGLBSA-N -1 3 379.446 0.718 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(n3ccnn3)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235058 608817101 /nfs/dbraw/zinc/81/71/01/608817101.db2.gz ASQQMRRRRQMHTD-NTEUORMPSA-N -1 3 392.427 0.876 20 50 GCGDHM C[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824893451 608846729 /nfs/dbraw/zinc/84/67/29/608846729.db2.gz QWBCYYHYOODYPJ-JQWIXIFHSA-N -1 3 375.389 0.143 20 50 GCGDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824100529 609150704 /nfs/dbraw/zinc/15/07/04/609150704.db2.gz TYAJZLJGVBMIPM-SFHVURJKSA-N -1 3 399.411 0.889 20 50 GCGDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824100529 609150706 /nfs/dbraw/zinc/15/07/06/609150706.db2.gz TYAJZLJGVBMIPM-SFHVURJKSA-N -1 3 399.411 0.889 20 50 GCGDHM CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948496 609157207 /nfs/dbraw/zinc/15/72/07/609157207.db2.gz PGFCYTKBIYAMQO-NSHDSACASA-N -1 3 375.408 0.814 20 50 GCGDHM Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826264471 609183804 /nfs/dbraw/zinc/18/38/04/609183804.db2.gz PMCQUCGMTJGIHR-KRWDZBQOSA-N -1 3 396.407 0.743 20 50 GCGDHM Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264471 609183805 /nfs/dbraw/zinc/18/38/05/609183805.db2.gz PMCQUCGMTJGIHR-KRWDZBQOSA-N -1 3 396.407 0.743 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000824498667 609191972 /nfs/dbraw/zinc/19/19/72/609191972.db2.gz JILMFNJYWDODBX-WCQYABFASA-N -1 3 389.416 0.391 20 50 GCGDHM CS(=O)(=O)c1ccccc1NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223930 609251600 /nfs/dbraw/zinc/25/16/00/609251600.db2.gz GXXRQLXIBAGPON-AWEZNQCLSA-N -1 3 388.409 0.447 20 50 GCGDHM CS(=O)(=O)c1ccccc1NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223930 609251602 /nfs/dbraw/zinc/25/16/02/609251602.db2.gz GXXRQLXIBAGPON-AWEZNQCLSA-N -1 3 388.409 0.447 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C(C)C)C(=O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235079 609265528 /nfs/dbraw/zinc/26/55/28/609265528.db2.gz BCCRBDNZCDBLHU-VGOFMYFVSA-N -1 3 382.428 0.500 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C(C)C)C(=O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235079 609265529 /nfs/dbraw/zinc/26/55/29/609265529.db2.gz BCCRBDNZCDBLHU-VGOFMYFVSA-N -1 3 382.428 0.500 20 50 GCGDHM CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948200 609274693 /nfs/dbraw/zinc/27/46/93/609274693.db2.gz GVDBYZDNGYJJKX-SNVBAGLBSA-N -1 3 381.393 0.216 20 50 GCGDHM CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948200 609274694 /nfs/dbraw/zinc/27/46/94/609274694.db2.gz GVDBYZDNGYJJKX-SNVBAGLBSA-N -1 3 381.393 0.216 20 50 GCGDHM Cn1cc(C=NNC(=O)CN2CCCC2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359998 609304726 /nfs/dbraw/zinc/30/47/26/609304726.db2.gz UYYUJMDNHZEBGC-UHFFFAOYSA-N -1 3 393.411 0.340 20 50 GCGDHM Cn1cc(C=NNC(=O)CN2CCCC2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359998 609304728 /nfs/dbraw/zinc/30/47/28/609304728.db2.gz UYYUJMDNHZEBGC-UHFFFAOYSA-N -1 3 393.411 0.340 20 50 GCGDHM CC[C@H]1C[C@@H](CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825182001 609373323 /nfs/dbraw/zinc/37/33/23/609373323.db2.gz HDXHPZJTDQIVOR-JSGCOSHPSA-N -1 3 388.428 0.988 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H]2CCS(=O)(=O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235340 609388746 /nfs/dbraw/zinc/38/87/46/609388746.db2.gz HUYRSMJXSGAYHD-LEBPBNDJSA-N -1 3 390.425 0.399 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H]2CCS(=O)(=O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235340 609388748 /nfs/dbraw/zinc/38/87/48/609388748.db2.gz HUYRSMJXSGAYHD-LEBPBNDJSA-N -1 3 390.425 0.399 20 50 GCGDHM CC1(C)CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824796157 609391491 /nfs/dbraw/zinc/39/14/91/609391491.db2.gz MMJPLAPLAKYJLI-CYBMUJFWSA-N -1 3 386.412 0.997 20 50 GCGDHM CC1(C)CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824796157 609391494 /nfs/dbraw/zinc/39/14/94/609391494.db2.gz MMJPLAPLAKYJLI-CYBMUJFWSA-N -1 3 386.412 0.997 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824108821 609397531 /nfs/dbraw/zinc/39/75/31/609397531.db2.gz LBGPCFODWVSPAV-UHFFFAOYSA-N -1 3 375.389 0.081 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824108821 609397534 /nfs/dbraw/zinc/39/75/34/609397534.db2.gz LBGPCFODWVSPAV-UHFFFAOYSA-N -1 3 375.389 0.081 20 50 GCGDHM Cc1ccsc1[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826315206 609445262 /nfs/dbraw/zinc/44/52/62/609445262.db2.gz BZXYWAZJUODGDA-LBPRGKRZSA-N -1 3 387.425 0.914 20 50 GCGDHM Cc1ccsc1[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826315206 609445264 /nfs/dbraw/zinc/44/52/64/609445264.db2.gz BZXYWAZJUODGDA-LBPRGKRZSA-N -1 3 387.425 0.914 20 50 GCGDHM Cc1ccsc1[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826315721 609446861 /nfs/dbraw/zinc/44/68/61/609446861.db2.gz RDLYBKGFQWNFFH-GFCCVEGCSA-N -1 3 387.425 0.914 20 50 GCGDHM Cc1ccsc1[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826315721 609446864 /nfs/dbraw/zinc/44/68/64/609446864.db2.gz RDLYBKGFQWNFFH-GFCCVEGCSA-N -1 3 387.425 0.914 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H](CO)c1ccc(F)cc1 ZINC000826445550 609447202 /nfs/dbraw/zinc/44/72/02/609447202.db2.gz YMDHOCQCJUSBKV-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H](CO)c1ccc(F)cc1 ZINC000826445550 609447203 /nfs/dbraw/zinc/44/72/03/609447203.db2.gz YMDHOCQCJUSBKV-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM CC(C)(C)n1ncc2c1nc(NNC(=O)c1c[nH]c(-c3nnn[n-]3)c1)[nH]c2=O ZINC000824152609 609458247 /nfs/dbraw/zinc/45/82/47/609458247.db2.gz KLJQDYINOFKGES-UHFFFAOYSA-N -1 3 383.376 0.552 20 50 GCGDHM CC(C)(C)n1ncc2c1nc(NNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)[nH]c2=O ZINC000824152609 609458248 /nfs/dbraw/zinc/45/82/48/609458248.db2.gz KLJQDYINOFKGES-UHFFFAOYSA-N -1 3 383.376 0.552 20 50 GCGDHM CN(C)c1ncc(CN(C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825991715 609601572 /nfs/dbraw/zinc/60/15/72/609601572.db2.gz IGWAWXDDQGWSKU-UHFFFAOYSA-N -1 3 396.415 0.209 20 50 GCGDHM CN(C)c1ncc(CN(C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825991715 609601574 /nfs/dbraw/zinc/60/15/74/609601574.db2.gz IGWAWXDDQGWSKU-UHFFFAOYSA-N -1 3 396.415 0.209 20 50 GCGDHM Cc1cccnc1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737437178 945069256 /nfs/dbraw/zinc/06/92/56/945069256.db2.gz XYVOVOOGRYFMKX-UHFFFAOYSA-N -1 3 382.384 0.480 20 50 GCGDHM Cc1cccnc1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737437178 945069268 /nfs/dbraw/zinc/06/92/68/945069268.db2.gz XYVOVOOGRYFMKX-UHFFFAOYSA-N -1 3 382.384 0.480 20 50 GCGDHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@@H](C)C(=O)NNC(=O)CC(C)C)n1 ZINC000737469900 945076040 /nfs/dbraw/zinc/07/60/40/945076040.db2.gz DRGOVXGGLQLAOP-VIFPVBQESA-N -1 3 378.462 0.948 20 50 GCGDHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H](C)C(=O)NNC(=O)CC(C)C)n1 ZINC000737469897 945075046 /nfs/dbraw/zinc/07/50/46/945075046.db2.gz DRGOVXGGLQLAOP-SECBINFHSA-N -1 3 378.462 0.948 20 50 GCGDHM Cc1ncc2c(n1)CC[C@H](NC(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC000737500795 945084203 /nfs/dbraw/zinc/08/42/03/945084203.db2.gz PZWDTMKUZBGNPN-AWEZNQCLSA-N -1 3 393.411 0.467 20 50 GCGDHM Cc1ncc2c(n1)CC[C@H](NC(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC000737500795 945084213 /nfs/dbraw/zinc/08/42/13/945084213.db2.gz PZWDTMKUZBGNPN-AWEZNQCLSA-N -1 3 393.411 0.467 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737511368 945085871 /nfs/dbraw/zinc/08/58/71/945085871.db2.gz RLVPOBWRBUBUSZ-SNVBAGLBSA-N -1 3 382.428 0.857 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737511368 945085883 /nfs/dbraw/zinc/08/58/83/945085883.db2.gz RLVPOBWRBUBUSZ-SNVBAGLBSA-N -1 3 382.428 0.857 20 50 GCGDHM Cc1nn(CCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1[N+](=O)[O-] ZINC000737512925 945087620 /nfs/dbraw/zinc/08/76/20/945087620.db2.gz CAYRNFNGXYHOKU-UHFFFAOYSA-N -1 3 399.371 0.440 20 50 GCGDHM Cc1nn(CCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1[N+](=O)[O-] ZINC000737512925 945087632 /nfs/dbraw/zinc/08/76/32/945087632.db2.gz CAYRNFNGXYHOKU-UHFFFAOYSA-N -1 3 399.371 0.440 20 50 GCGDHM Cc1noc([C@H](C)NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)n1 ZINC000737534031 945091616 /nfs/dbraw/zinc/09/16/16/945091616.db2.gz NTEZTDNGKJPZHK-QMMMGPOBSA-N -1 3 387.360 0.029 20 50 GCGDHM Cc1noc([C@H](C)NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)n1 ZINC000737534031 945091631 /nfs/dbraw/zinc/09/16/31/945091631.db2.gz NTEZTDNGKJPZHK-QMMMGPOBSA-N -1 3 387.360 0.029 20 50 GCGDHM Cn1c(=O)c2ccccc2nc1NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737596407 945098417 /nfs/dbraw/zinc/09/84/17/945098417.db2.gz NGFYEAFNAIKJOV-UHFFFAOYSA-N -1 3 376.380 0.799 20 50 GCGDHM Cn1c(=O)c2ccccc2nc1NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737596407 945098420 /nfs/dbraw/zinc/09/84/20/945098420.db2.gz NGFYEAFNAIKJOV-UHFFFAOYSA-N -1 3 376.380 0.799 20 50 GCGDHM O=C(C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737813984 945129645 /nfs/dbraw/zinc/12/96/45/945129645.db2.gz MVKRTTCUYLLWID-ZDUSSCGKSA-N -1 3 377.364 0.754 20 50 GCGDHM O=C(C[C@@H]1C(=O)Nc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737813984 945129653 /nfs/dbraw/zinc/12/96/53/945129653.db2.gz MVKRTTCUYLLWID-ZDUSSCGKSA-N -1 3 377.364 0.754 20 50 GCGDHM O=C(CCCc1nc(C2CC2)no1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737836685 945135190 /nfs/dbraw/zinc/13/51/90/945135190.db2.gz MZIBNRWDKYKPTP-UHFFFAOYSA-N -1 3 382.384 0.911 20 50 GCGDHM O=C(CCCc1nc(C2CC2)no1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737836685 945135193 /nfs/dbraw/zinc/13/51/93/945135193.db2.gz MZIBNRWDKYKPTP-UHFFFAOYSA-N -1 3 382.384 0.911 20 50 GCGDHM O=C(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Nc1cccc(F)c1 ZINC000737889409 945143929 /nfs/dbraw/zinc/14/39/29/945143929.db2.gz MFOPPTGYALPVLM-UHFFFAOYSA-N -1 3 398.358 0.589 20 50 GCGDHM O=C(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Nc1cccc(F)c1 ZINC000737889409 945143931 /nfs/dbraw/zinc/14/39/31/945143931.db2.gz MFOPPTGYALPVLM-UHFFFAOYSA-N -1 3 398.358 0.589 20 50 GCGDHM O=C(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)NCc1ccccc1 ZINC000737890338 945146688 /nfs/dbraw/zinc/14/66/88/945146688.db2.gz YUFAHTKPXPLRCV-UHFFFAOYSA-N -1 3 394.395 0.127 20 50 GCGDHM O=C(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)NCc1ccccc1 ZINC000737890338 945146690 /nfs/dbraw/zinc/14/66/90/945146690.db2.gz YUFAHTKPXPLRCV-UHFFFAOYSA-N -1 3 394.395 0.127 20 50 GCGDHM O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737892038 945146897 /nfs/dbraw/zinc/14/68/97/945146897.db2.gz RYQXNSAUNXGJJE-UHFFFAOYSA-N -1 3 399.798 0.711 20 50 GCGDHM O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737892038 945146900 /nfs/dbraw/zinc/14/69/00/945146900.db2.gz RYQXNSAUNXGJJE-UHFFFAOYSA-N -1 3 399.798 0.711 20 50 GCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)COc1ccccc1O ZINC000737894217 945147351 /nfs/dbraw/zinc/14/73/51/945147351.db2.gz IKGMNZMVUVLHAR-UHFFFAOYSA-N -1 3 383.368 0.211 20 50 GCGDHM O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737918953 945152474 /nfs/dbraw/zinc/15/24/74/945152474.db2.gz CZBVADWRYKTJIY-UHFFFAOYSA-N -1 3 383.324 0.615 20 50 GCGDHM O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737918953 945152477 /nfs/dbraw/zinc/15/24/77/945152477.db2.gz CZBVADWRYKTJIY-UHFFFAOYSA-N -1 3 383.324 0.615 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000737932281 945159336 /nfs/dbraw/zinc/15/93/36/945159336.db2.gz WJHFAUAXNZODLB-OAHLLOKOSA-N -1 3 380.364 0.397 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000737932281 945159343 /nfs/dbraw/zinc/15/93/43/945159343.db2.gz WJHFAUAXNZODLB-OAHLLOKOSA-N -1 3 380.364 0.397 20 50 GCGDHM O=C(NCC1(O)Cc2ccccc2C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738041287 945174843 /nfs/dbraw/zinc/17/48/43/945174843.db2.gz YEWMZUJLMSKGQA-UHFFFAOYSA-N -1 3 393.407 0.341 20 50 GCGDHM O=C(NCC1(O)Cc2ccccc2C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738041287 945174849 /nfs/dbraw/zinc/17/48/49/945174849.db2.gz YEWMZUJLMSKGQA-UHFFFAOYSA-N -1 3 393.407 0.341 20 50 GCGDHM O=C(NC[C@@H]1Cc2ccccc2O1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738053858 945178346 /nfs/dbraw/zinc/17/83/46/945178346.db2.gz ZUXLQXPIWYNXAF-AWEZNQCLSA-N -1 3 379.380 0.814 20 50 GCGDHM O=C(NC[C@@H]1Cc2ccccc2O1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738053858 945178351 /nfs/dbraw/zinc/17/83/51/945178351.db2.gz ZUXLQXPIWYNXAF-AWEZNQCLSA-N -1 3 379.380 0.814 20 50 GCGDHM O=C(NCCCOC[C@H]1CCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738076491 945182804 /nfs/dbraw/zinc/18/28/04/945182804.db2.gz SXVPUUYLTDTSMW-CQSZACIVSA-N -1 3 389.416 0.396 20 50 GCGDHM O=C(NCCCOC[C@H]1CCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738076491 945182812 /nfs/dbraw/zinc/18/28/12/945182812.db2.gz SXVPUUYLTDTSMW-CQSZACIVSA-N -1 3 389.416 0.396 20 50 GCGDHM O=C(NCCCOCC(F)(F)F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738075966 945183150 /nfs/dbraw/zinc/18/31/50/945183150.db2.gz OAWVIGBGIFCPHT-UHFFFAOYSA-N -1 3 387.322 0.780 20 50 GCGDHM O=C(NCCCOCC(F)(F)F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738075966 945183153 /nfs/dbraw/zinc/18/31/53/945183153.db2.gz OAWVIGBGIFCPHT-UHFFFAOYSA-N -1 3 387.322 0.780 20 50 GCGDHM O=C(NCc1ccc2c(c1)OCO2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738113120 945192487 /nfs/dbraw/zinc/19/24/87/945192487.db2.gz VCFVNYYHJMTDTH-UHFFFAOYSA-N -1 3 381.352 0.740 20 50 GCGDHM O=C(NCc1ccc2c(c1)OCO2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738113120 945192492 /nfs/dbraw/zinc/19/24/92/945192492.db2.gz VCFVNYYHJMTDTH-UHFFFAOYSA-N -1 3 381.352 0.740 20 50 GCGDHM O=C(NNC(=O)c1cccnc1-n1cccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134272 945217571 /nfs/dbraw/zinc/21/75/71/945217571.db2.gz IXIZDQDREYWQAB-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccnc1-n1cccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134272 945217583 /nfs/dbraw/zinc/21/75/83/945217583.db2.gz IXIZDQDREYWQAB-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1ccoc1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738134811 945223245 /nfs/dbraw/zinc/22/32/45/945223245.db2.gz UHJJPOTZVNJEFZ-UHFFFAOYSA-N -1 3 397.399 0.468 20 50 GCGDHM O=C(NNC(=O)c1ccnc(-n2ccnc2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134631 945220658 /nfs/dbraw/zinc/22/06/58/945220658.db2.gz POULGVHBYFIOJY-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1ccnc(-n2ccnc2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134631 945220664 /nfs/dbraw/zinc/22/06/64/945220664.db2.gz POULGVHBYFIOJY-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cn2cncn2)cc1 ZINC000738134888 945224801 /nfs/dbraw/zinc/22/48/01/945224801.db2.gz XRVIECVEMXSFAP-UHFFFAOYSA-N -1 3 389.379 0.581 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cn2cncn2)cc1 ZINC000738134888 945224804 /nfs/dbraw/zinc/22/48/04/945224804.db2.gz XRVIECVEMXSFAP-UHFFFAOYSA-N -1 3 389.379 0.581 20 50 GCGDHM O=C(NNC(=O)N1CCOC[C@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738135769 945226486 /nfs/dbraw/zinc/22/64/86/945226486.db2.gz BLMRHEXXGIAMKP-ZDUSSCGKSA-N -1 3 383.368 0.888 20 50 GCGDHM O=C(NNC(=O)N1CCOC[C@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738135769 945226494 /nfs/dbraw/zinc/22/64/94/945226494.db2.gz BLMRHEXXGIAMKP-ZDUSSCGKSA-N -1 3 383.368 0.888 20 50 GCGDHM O=C(NNC(=O)N1CCOC[C@@H]1c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738135768 945227386 /nfs/dbraw/zinc/22/73/86/945227386.db2.gz BLMRHEXXGIAMKP-CYBMUJFWSA-N -1 3 383.368 0.888 20 50 GCGDHM O=C(NNC(=O)N1CCOC[C@@H]1c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738135768 945227394 /nfs/dbraw/zinc/22/73/94/945227394.db2.gz BLMRHEXXGIAMKP-CYBMUJFWSA-N -1 3 383.368 0.888 20 50 GCGDHM O=C(NNC(=O)c1ccc(-n2cnnc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738137690 945246089 /nfs/dbraw/zinc/24/60/89/945246089.db2.gz XVOZEDUWJBZIFV-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1ccc(-n2cnnc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738137690 945246093 /nfs/dbraw/zinc/24/60/93/945246093.db2.gz XVOZEDUWJBZIFV-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=Cc1cccc(OCCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738318435 945259363 /nfs/dbraw/zinc/25/93/63/945259363.db2.gz RCWMBRGFXRNPNT-UHFFFAOYSA-N -1 3 380.364 0.909 20 50 GCGDHM O=Cc1cccc(OCCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738318435 945259372 /nfs/dbraw/zinc/25/93/72/945259372.db2.gz RCWMBRGFXRNPNT-UHFFFAOYSA-N -1 3 380.364 0.909 20 50 GCGDHM C=C(C)COCCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000819722507 945274382 /nfs/dbraw/zinc/27/43/82/945274382.db2.gz KWGMVFXOQORXSG-UHFFFAOYSA-N -1 3 375.389 0.169 20 50 GCGDHM CC(C)CO[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820096400 945349719 /nfs/dbraw/zinc/34/97/19/945349719.db2.gz BZXNFFWYEQSUEE-OAHLLOKOSA-N -1 3 387.444 0.375 20 50 GCGDHM CC(C)CO[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820096400 945349730 /nfs/dbraw/zinc/34/97/30/945349730.db2.gz BZXNFFWYEQSUEE-OAHLLOKOSA-N -1 3 387.444 0.375 20 50 GCGDHM CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820136750 945359639 /nfs/dbraw/zinc/35/96/39/945359639.db2.gz BKIKOVMADFRIPH-JTQLQIEISA-N -1 3 375.389 0.398 20 50 GCGDHM CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820136750 945359649 /nfs/dbraw/zinc/35/96/49/945359649.db2.gz BKIKOVMADFRIPH-JTQLQIEISA-N -1 3 375.389 0.398 20 50 GCGDHM CC(C)OC(=O)CSCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820142018 945363094 /nfs/dbraw/zinc/36/30/94/945363094.db2.gz DKXGGQTZJMTNFJ-UHFFFAOYSA-N -1 3 378.414 0.313 20 50 GCGDHM CC(C)OC(=O)CSCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820142018 945363109 /nfs/dbraw/zinc/36/31/09/945363109.db2.gz DKXGGQTZJMTNFJ-UHFFFAOYSA-N -1 3 378.414 0.313 20 50 GCGDHM CC(C)SCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820183615 945366631 /nfs/dbraw/zinc/36/66/31/945366631.db2.gz HFMQCLYVGGGSHQ-UHFFFAOYSA-N -1 3 378.414 0.313 20 50 GCGDHM CC(C)SCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820183615 945366640 /nfs/dbraw/zinc/36/66/40/945366640.db2.gz HFMQCLYVGGGSHQ-UHFFFAOYSA-N -1 3 378.414 0.313 20 50 GCGDHM CC(C)(C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000735580381 944673262 /nfs/dbraw/zinc/67/32/62/944673262.db2.gz DRGOJSOOGSIQQD-UHFFFAOYSA-N -1 3 385.344 0.168 20 50 GCGDHM CC(C)(C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000735580381 944673271 /nfs/dbraw/zinc/67/32/71/944673271.db2.gz DRGOJSOOGSIQQD-UHFFFAOYSA-N -1 3 385.344 0.168 20 50 GCGDHM CC(C)(C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735581393 944674335 /nfs/dbraw/zinc/67/43/35/944674335.db2.gz RSHLFUSPBJEFNH-OAHLLOKOSA-N -1 3 379.424 0.992 20 50 GCGDHM CC(C)(C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735581393 944674344 /nfs/dbraw/zinc/67/43/44/944674344.db2.gz RSHLFUSPBJEFNH-OAHLLOKOSA-N -1 3 379.424 0.992 20 50 GCGDHM CC(C)(C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)n1cc([N+](=O)[O-])cn1 ZINC000735580752 944674396 /nfs/dbraw/zinc/67/43/96/944674396.db2.gz IHXHJQDEKUYVAP-UHFFFAOYSA-N -1 3 385.344 0.168 20 50 GCGDHM CC(C)(C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)n1cc([N+](=O)[O-])cn1 ZINC000735580752 944674403 /nfs/dbraw/zinc/67/44/03/944674403.db2.gz IHXHJQDEKUYVAP-UHFFFAOYSA-N -1 3 385.344 0.168 20 50 GCGDHM CC(C)(C)[S@@](=O)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735644488 944683775 /nfs/dbraw/zinc/68/37/75/944683775.db2.gz YOSNTLNTCHUWCA-SANMLTNESA-N -1 3 379.446 0.358 20 50 GCGDHM CC(C)(C)[S@@](=O)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735644488 944683782 /nfs/dbraw/zinc/68/37/82/944683782.db2.gz YOSNTLNTCHUWCA-SANMLTNESA-N -1 3 379.446 0.358 20 50 GCGDHM CC(C)(C)[S@@](=O)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735642701 944684643 /nfs/dbraw/zinc/68/46/43/944684643.db2.gz DOMUZFVNNULADI-SANMLTNESA-N -1 3 379.446 0.358 20 50 GCGDHM CC(C)(C)[S@@](=O)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735642701 944684647 /nfs/dbraw/zinc/68/46/47/944684647.db2.gz DOMUZFVNNULADI-SANMLTNESA-N -1 3 379.446 0.358 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1 ZINC000736120459 944745630 /nfs/dbraw/zinc/74/56/30/944745630.db2.gz ZWVJZVZJGLWVDT-LLVKDONJSA-N -1 3 394.395 0.838 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1 ZINC000736120459 944745639 /nfs/dbraw/zinc/74/56/39/944745639.db2.gz ZWVJZVZJGLWVDT-LLVKDONJSA-N -1 3 394.395 0.838 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736140829 944748963 /nfs/dbraw/zinc/74/89/63/944748963.db2.gz CYQAROIDPTXZGI-MRXNPFEDSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736140829 944748969 /nfs/dbraw/zinc/74/89/69/944748969.db2.gz CYQAROIDPTXZGI-MRXNPFEDSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000736166940 944751359 /nfs/dbraw/zinc/75/13/59/944751359.db2.gz BCGSDJJYZBAUSG-ZBEGNZNMSA-N -1 3 394.391 0.785 20 50 GCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=S)NCC1CCC1 ZINC000736167603 944751701 /nfs/dbraw/zinc/75/17/01/944751701.db2.gz FFRYXZBRJCZKPI-JTQLQIEISA-N -1 3 375.458 0.929 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)CNc1ccccc1 ZINC000736183329 944755024 /nfs/dbraw/zinc/75/50/24/944755024.db2.gz KACZWXIHKFWXNY-GFCCVEGCSA-N -1 3 381.396 0.894 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)CNc1ccccc1 ZINC000736183329 944755036 /nfs/dbraw/zinc/75/50/36/944755036.db2.gz KACZWXIHKFWXNY-GFCCVEGCSA-N -1 3 381.396 0.894 20 50 GCGDHM C[C@]1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)Cc2ccccc2C(=O)O1 ZINC000736201458 944760324 /nfs/dbraw/zinc/76/03/24/944760324.db2.gz FLPUNKNEQFGIKO-LJQANCHMSA-N -1 3 392.375 0.800 20 50 GCGDHM C[C@]1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)Cc2ccccc2C(=O)O1 ZINC000736201458 944760329 /nfs/dbraw/zinc/76/03/29/944760329.db2.gz FLPUNKNEQFGIKO-LJQANCHMSA-N -1 3 392.375 0.800 20 50 GCGDHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736223662 944768817 /nfs/dbraw/zinc/76/88/17/944768817.db2.gz JOIUFDHIZZXQTA-KXCXCYQVSA-N -1 3 377.430 0.062 20 50 GCGDHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736223662 944768827 /nfs/dbraw/zinc/76/88/27/944768827.db2.gz JOIUFDHIZZXQTA-KXCXCYQVSA-N -1 3 377.430 0.062 20 50 GCGDHM C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736262506 944779873 /nfs/dbraw/zinc/77/98/73/944779873.db2.gz NBGJQLNTXXPFAK-SWLSCSKDSA-N -1 3 388.428 0.988 20 50 GCGDHM CCC(=O)NNC(=O)[C@H](C)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736303077 944791857 /nfs/dbraw/zinc/79/18/57/944791857.db2.gz JNXXXBQHXVPNDF-NSHDSACASA-N -1 3 390.423 0.074 20 50 GCGDHM CCC[C@H](C)N1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736421426 944818733 /nfs/dbraw/zinc/81/87/33/944818733.db2.gz BHGFNXXPDAQAFL-FZMZJTMJSA-N -1 3 385.428 0.665 20 50 GCGDHM CCC[C@H](C)N1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736421426 944818736 /nfs/dbraw/zinc/81/87/36/944818736.db2.gz BHGFNXXPDAQAFL-FZMZJTMJSA-N -1 3 385.428 0.665 20 50 GCGDHM CCN(CC)C(=S)SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736528830 944836939 /nfs/dbraw/zinc/83/69/39/944836939.db2.gz FFTQBWMSBYHQLH-UHFFFAOYSA-N -1 3 393.498 0.988 20 50 GCGDHM CCN(CC)C(=S)SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736528830 944836948 /nfs/dbraw/zinc/83/69/48/944836948.db2.gz FFTQBWMSBYHQLH-UHFFFAOYSA-N -1 3 393.498 0.988 20 50 GCGDHM CCOC(=O)N1CCC(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736599168 944851069 /nfs/dbraw/zinc/85/10/69/944851069.db2.gz MDIREAVNLGNMAV-UHFFFAOYSA-N -1 3 387.400 0.496 20 50 GCGDHM CCOC(=O)N1CCC(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736599168 944851073 /nfs/dbraw/zinc/85/10/73/944851073.db2.gz MDIREAVNLGNMAV-UHFFFAOYSA-N -1 3 387.400 0.496 20 50 GCGDHM CCc1cc(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)on1 ZINC000736674780 944866600 /nfs/dbraw/zinc/86/66/00/944866600.db2.gz IWGBMHMWZUABLQ-UHFFFAOYSA-N -1 3 386.372 0.327 20 50 GCGDHM CCc1cc(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)on1 ZINC000736674780 944866609 /nfs/dbraw/zinc/86/66/09/944866609.db2.gz IWGBMHMWZUABLQ-UHFFFAOYSA-N -1 3 386.372 0.327 20 50 GCGDHM CCc1ccc(C(=O)NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736685561 944868058 /nfs/dbraw/zinc/86/80/58/944868058.db2.gz GLOWXKYEQHBMOF-UHFFFAOYSA-N -1 3 393.407 0.620 20 50 GCGDHM CCc1ccc(C(=O)NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736685561 944868067 /nfs/dbraw/zinc/86/80/67/944868067.db2.gz GLOWXKYEQHBMOF-UHFFFAOYSA-N -1 3 393.407 0.620 20 50 GCGDHM CCc1nc(CCNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)no1 ZINC000736699101 944871506 /nfs/dbraw/zinc/87/15/06/944871506.db2.gz IRLQDUUACGBIIM-KPKJPENVSA-N -1 3 381.400 0.725 20 50 GCGDHM CCc1nc(CCNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)no1 ZINC000736699101 944871511 /nfs/dbraw/zinc/87/15/11/944871511.db2.gz IRLQDUUACGBIIM-KPKJPENVSA-N -1 3 381.400 0.725 20 50 GCGDHM CN(C)C(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736752799 944883198 /nfs/dbraw/zinc/88/31/98/944883198.db2.gz CIOOPBRBCNYSBH-UHFFFAOYSA-N -1 3 379.380 0.643 20 50 GCGDHM CN(C)C(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736752799 944883208 /nfs/dbraw/zinc/88/32/08/944883208.db2.gz CIOOPBRBCNYSBH-UHFFFAOYSA-N -1 3 379.380 0.643 20 50 GCGDHM CN(C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736760140 944883576 /nfs/dbraw/zinc/88/35/76/944883576.db2.gz PRLBVXSLJLXRCL-INIZCTEOSA-N -1 3 379.424 0.801 20 50 GCGDHM CN(CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)CC(F)(F)F ZINC000736801028 944893583 /nfs/dbraw/zinc/89/35/83/944893583.db2.gz QCIZYPFGOZIGRP-UHFFFAOYSA-N -1 3 386.338 0.305 20 50 GCGDHM CN(CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)CC(F)(F)F ZINC000736801028 944893586 /nfs/dbraw/zinc/89/35/86/944893586.db2.gz QCIZYPFGOZIGRP-UHFFFAOYSA-N -1 3 386.338 0.305 20 50 GCGDHM CNC(=O)c1cncc(C=CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736882060 944905877 /nfs/dbraw/zinc/90/58/77/944905877.db2.gz HIKYWCDXOKEJSP-AATRIKPKSA-N -1 3 392.379 0.096 20 50 GCGDHM CNC(=O)c1cncc(C=CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736882060 944905884 /nfs/dbraw/zinc/90/58/84/944905884.db2.gz HIKYWCDXOKEJSP-AATRIKPKSA-N -1 3 392.379 0.096 20 50 GCGDHM COC(=O)[C@@H](C)CSCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736890993 944906005 /nfs/dbraw/zinc/90/60/05/944906005.db2.gz HJFAPPNCSWCPJE-VIFPVBQESA-N -1 3 378.414 0.170 20 50 GCGDHM COC(=O)[C@@H](C)CSCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736890993 944906009 /nfs/dbraw/zinc/90/60/09/944906009.db2.gz HJFAPPNCSWCPJE-VIFPVBQESA-N -1 3 378.414 0.170 20 50 GCGDHM COC(=O)N1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736934914 944913650 /nfs/dbraw/zinc/91/36/50/944913650.db2.gz FKJVMNHKPRHARD-WTWVRAIASA-N -1 3 398.427 0.768 20 50 GCGDHM COC(=O)N1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736934914 944913653 /nfs/dbraw/zinc/91/36/53/944913653.db2.gz FKJVMNHKPRHARD-WTWVRAIASA-N -1 3 398.427 0.768 20 50 GCGDHM COC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000736947397 944916787 /nfs/dbraw/zinc/91/67/87/944916787.db2.gz JFOIWKMMWYEUNC-UHFFFAOYSA-N -1 3 385.340 0.391 20 50 GCGDHM COC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000736947397 944916794 /nfs/dbraw/zinc/91/67/94/944916794.db2.gz JFOIWKMMWYEUNC-UHFFFAOYSA-N -1 3 385.340 0.391 20 50 GCGDHM COCCCNC(=O)NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736985950 944926564 /nfs/dbraw/zinc/92/65/64/944926564.db2.gz HZSMTSLKLUTSBL-CQSZACIVSA-N -1 3 388.432 0.202 20 50 GCGDHM COCCCOc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736987370 944927598 /nfs/dbraw/zinc/92/75/98/944927598.db2.gz FXGZUKUEKPSKDI-UHFFFAOYSA-N -1 3 397.395 0.752 20 50 GCGDHM COCCCOc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736987370 944927608 /nfs/dbraw/zinc/92/76/08/944927608.db2.gz FXGZUKUEKPSKDI-UHFFFAOYSA-N -1 3 397.395 0.752 20 50 GCGDHM COCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737011440 944931393 /nfs/dbraw/zinc/93/13/93/944931393.db2.gz SCQZVXBPEATVLG-UHFFFAOYSA-N -1 3 382.380 0.967 20 50 GCGDHM COCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737011440 944931400 /nfs/dbraw/zinc/93/14/00/944931400.db2.gz SCQZVXBPEATVLG-UHFFFAOYSA-N -1 3 382.380 0.967 20 50 GCGDHM COCCOc1cccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737016338 944933739 /nfs/dbraw/zinc/93/37/39/944933739.db2.gz WKLYJRVZJWRGFQ-UHFFFAOYSA-N -1 3 382.380 0.967 20 50 GCGDHM COCCOc1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737016338 944933750 /nfs/dbraw/zinc/93/37/50/944933750.db2.gz WKLYJRVZJWRGFQ-UHFFFAOYSA-N -1 3 382.380 0.967 20 50 GCGDHM COc1cc(CCNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1O ZINC000737043829 944940604 /nfs/dbraw/zinc/94/06/04/944940604.db2.gz JTNHGJIIKJRCIT-UHFFFAOYSA-N -1 3 397.395 0.768 20 50 GCGDHM COc1cc(CCNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC000737043829 944940612 /nfs/dbraw/zinc/94/06/12/944940612.db2.gz JTNHGJIIKJRCIT-UHFFFAOYSA-N -1 3 397.395 0.768 20 50 GCGDHM COc1ccc(C(=O)NN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000737072691 944944502 /nfs/dbraw/zinc/94/45/02/944944502.db2.gz WIOGZFNAASCGDB-OAHLLOKOSA-N -1 3 397.395 0.345 20 50 GCGDHM COc1ccc(C(=O)NN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000737072691 944944506 /nfs/dbraw/zinc/94/45/06/944944506.db2.gz WIOGZFNAASCGDB-OAHLLOKOSA-N -1 3 397.395 0.345 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1O ZINC000737092560 944957884 /nfs/dbraw/zinc/95/78/84/944957884.db2.gz MUKSBESCQRPMBR-UHFFFAOYSA-N -1 3 383.368 0.725 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1O ZINC000737092560 944957886 /nfs/dbraw/zinc/95/78/86/944957886.db2.gz MUKSBESCQRPMBR-UHFFFAOYSA-N -1 3 383.368 0.725 20 50 GCGDHM COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC000737118141 944962438 /nfs/dbraw/zinc/96/24/38/944962438.db2.gz ANUMMADZXOEJQV-AWEZNQCLSA-N -1 3 394.391 0.888 20 50 GCGDHM COc1ccc2c(c1)OC[C@@H](C(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC000737118141 944962444 /nfs/dbraw/zinc/96/24/44/944962444.db2.gz ANUMMADZXOEJQV-AWEZNQCLSA-N -1 3 394.391 0.888 20 50 GCGDHM COc1cccc(C(=O)NCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737120839 944964075 /nfs/dbraw/zinc/96/40/75/944964075.db2.gz HGOKUCPLOWKUJM-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM COc1cccc(C(=O)NCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737120839 944964076 /nfs/dbraw/zinc/96/40/76/944964076.db2.gz HGOKUCPLOWKUJM-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM COc1cccc(NCC(=O)NNC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737137726 944966113 /nfs/dbraw/zinc/96/61/13/944966113.db2.gz DGAJBPDZFBHGMI-UHFFFAOYSA-N -1 3 397.395 0.514 20 50 GCGDHM COc1cccc(NCC(=O)NNC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737137726 944966116 /nfs/dbraw/zinc/96/61/16/944966116.db2.gz DGAJBPDZFBHGMI-UHFFFAOYSA-N -1 3 397.395 0.514 20 50 GCGDHM COc1cccc(NCC(=O)NNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737140922 944968048 /nfs/dbraw/zinc/96/80/48/944968048.db2.gz SZVJNNWHTCWFTM-UHFFFAOYSA-N -1 3 381.396 0.677 20 50 GCGDHM COc1cccc(NCC(=O)NNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737140922 944968054 /nfs/dbraw/zinc/96/80/54/944968054.db2.gz SZVJNNWHTCWFTM-UHFFFAOYSA-N -1 3 381.396 0.677 20 50 GCGDHM CS(=O)(=O)[C@H]1CCCC1=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737160580 944971735 /nfs/dbraw/zinc/97/17/35/944971735.db2.gz AEXGHOQOZJCSAK-ZDUSSCGKSA-N -1 3 378.414 0.315 20 50 GCGDHM CS(=O)(=O)[C@@H]1CCCC1=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737160579 944971943 /nfs/dbraw/zinc/97/19/43/944971943.db2.gz AEXGHOQOZJCSAK-CYBMUJFWSA-N -1 3 378.414 0.315 20 50 GCGDHM COc1cc[n-]c(=NNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737159089 944972875 /nfs/dbraw/zinc/97/28/75/944972875.db2.gz JRDFFHYLOUGPQY-ZDUSSCGKSA-N -1 3 381.400 0.777 20 50 GCGDHM CSCC[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737180687 944976382 /nfs/dbraw/zinc/97/63/82/944976382.db2.gz HQSYXCKNAFSZQH-JTQLQIEISA-N -1 3 379.446 0.718 20 50 GCGDHM CSCC[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737180687 944976386 /nfs/dbraw/zinc/97/63/86/944976386.db2.gz HQSYXCKNAFSZQH-JTQLQIEISA-N -1 3 379.446 0.718 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000737211530 944987262 /nfs/dbraw/zinc/98/72/62/944987262.db2.gz CKFBIFFXBQQEAZ-DJTWPOEFSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000737211530 944987267 /nfs/dbraw/zinc/98/72/67/944987267.db2.gz CKFBIFFXBQQEAZ-DJTWPOEFSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(-c2nnn[n-]2)n1C ZINC000737212774 944994320 /nfs/dbraw/zinc/99/43/20/944994320.db2.gz MNWXCZDWWBLGIU-KAMPRCONSA-N -1 3 391.439 0.619 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(-c2nn[n-]n2)n1C ZINC000737212774 944994332 /nfs/dbraw/zinc/99/43/32/944994332.db2.gz MNWXCZDWWBLGIU-KAMPRCONSA-N -1 3 391.439 0.619 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2nc(CC(N)=O)cs2)cc(-c2nnn[n-]2)n1C ZINC000737212767 944995071 /nfs/dbraw/zinc/99/50/71/944995071.db2.gz MDVDEDLWSYLWES-KMKOMSMNSA-N -1 3 397.424 0.544 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2nc(CC(N)=O)cs2)cc(-c2nn[n-]n2)n1C ZINC000737212767 944995074 /nfs/dbraw/zinc/99/50/74/944995074.db2.gz MDVDEDLWSYLWES-KMKOMSMNSA-N -1 3 397.424 0.544 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCS(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000737213045 944998283 /nfs/dbraw/zinc/99/82/83/944998283.db2.gz PUCXIPHFLDKEGU-GHXNOFRVSA-N -1 3 378.414 0.399 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCS(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000737213045 944998289 /nfs/dbraw/zinc/99/82/89/944998289.db2.gz PUCXIPHFLDKEGU-GHXNOFRVSA-N -1 3 378.414 0.399 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)NC2CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000737213687 945005110 /nfs/dbraw/zinc/00/51/10/945005110.db2.gz VWFAYDJSQAIUHQ-QPEQYQDCSA-N -1 3 399.411 0.259 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)NC2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000737213687 945005121 /nfs/dbraw/zinc/00/51/21/945005121.db2.gz VWFAYDJSQAIUHQ-QPEQYQDCSA-N -1 3 399.411 0.259 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000737213990 945010669 /nfs/dbraw/zinc/01/06/69/945010669.db2.gz ZKTRCJWZRHQCMN-BKNIFWKGSA-N -1 3 385.428 0.590 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000737213990 945010678 /nfs/dbraw/zinc/01/06/78/945010678.db2.gz ZKTRCJWZRHQCMN-BKNIFWKGSA-N -1 3 385.428 0.590 20 50 GCGDHM Cc1nn(C)c2nc(C)cc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)c12 ZINC000737236917 945017619 /nfs/dbraw/zinc/01/76/19/945017619.db2.gz UUGDQQHGAYKNFC-UHFFFAOYSA-N -1 3 391.395 0.840 20 50 GCGDHM Cc1nn(C)c2nc(C)cc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)c12 ZINC000737236917 945017630 /nfs/dbraw/zinc/01/76/30/945017630.db2.gz UUGDQQHGAYKNFC-UHFFFAOYSA-N -1 3 391.395 0.840 20 50 GCGDHM Cc1ccc(C)c(OCC(=O)NN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737326263 945038647 /nfs/dbraw/zinc/03/86/47/945038647.db2.gz NVYPMEOKLPKQOX-KRWDZBQOSA-N -1 3 395.423 0.710 20 50 GCGDHM Cc1ccc(C)c(OCC(=O)NN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737326263 945038658 /nfs/dbraw/zinc/03/86/58/945038658.db2.gz NVYPMEOKLPKQOX-KRWDZBQOSA-N -1 3 395.423 0.710 20 50 GCGDHM Cc1ccc(CCNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)cn1 ZINC000737337418 945043726 /nfs/dbraw/zinc/04/37/26/945043726.db2.gz MNVXZVLNRSABQE-UHFFFAOYSA-N -1 3 396.411 0.522 20 50 GCGDHM Cc1ccc(CCNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)cn1 ZINC000737337418 945043740 /nfs/dbraw/zinc/04/37/40/945043740.db2.gz MNVXZVLNRSABQE-UHFFFAOYSA-N -1 3 396.411 0.522 20 50 GCGDHM Cc1ccc(O)c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737365417 945050020 /nfs/dbraw/zinc/05/00/20/945050020.db2.gz RGISIUHDIKZZNL-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1ccc(O)c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737365417 945050028 /nfs/dbraw/zinc/05/00/28/945050028.db2.gz RGISIUHDIKZZNL-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM C[C@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)NC(=O)OC(C)(C)C ZINC000820225103 945387442 /nfs/dbraw/zinc/38/74/42/945387442.db2.gz AQTYFBIDQHKRNT-SNVBAGLBSA-N -1 3 389.416 0.931 20 50 GCGDHM C[C@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)NC(=O)OC(C)(C)C ZINC000820225103 945387455 /nfs/dbraw/zinc/38/74/55/945387455.db2.gz AQTYFBIDQHKRNT-SNVBAGLBSA-N -1 3 389.416 0.931 20 50 GCGDHM C[C@@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820286400 945404746 /nfs/dbraw/zinc/40/47/46/945404746.db2.gz AYAFTUQTIXVWSZ-GWCFXTLKSA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@@H](CO[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820286400 945404749 /nfs/dbraw/zinc/40/47/49/945404749.db2.gz AYAFTUQTIXVWSZ-GWCFXTLKSA-N -1 3 375.389 0.005 20 50 GCGDHM C[C@@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374254 945436265 /nfs/dbraw/zinc/43/62/65/945436265.db2.gz NNVSZFQWQRRDHW-BMIGLBTASA-N -1 3 379.446 0.309 20 50 GCGDHM C[C@@H](NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374254 945436270 /nfs/dbraw/zinc/43/62/70/945436270.db2.gz NNVSZFQWQRRDHW-BMIGLBTASA-N -1 3 379.446 0.309 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000820375087 945441706 /nfs/dbraw/zinc/44/17/06/945441706.db2.gz XZCIDJGKWSIHAA-NSHDSACASA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NNc1ccccc1 ZINC000820447542 945453295 /nfs/dbraw/zinc/45/32/95/945453295.db2.gz ZOSZPKGOWQYLFU-NSHDSACASA-N -1 3 387.425 0.677 20 50 GCGDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1ccccc1 ZINC000820447542 945453297 /nfs/dbraw/zinc/45/32/97/945453297.db2.gz ZOSZPKGOWQYLFU-NSHDSACASA-N -1 3 387.425 0.677 20 50 GCGDHM C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820473356 945460062 /nfs/dbraw/zinc/46/00/62/945460062.db2.gz AWTZLQRUTCQOGC-LLVKDONJSA-N -1 3 391.432 0.373 20 50 GCGDHM C[C@@]1(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCCS1 ZINC000820618395 945499675 /nfs/dbraw/zinc/49/96/75/945499675.db2.gz CCUJQKZKXCDJAS-INIZCTEOSA-N -1 3 391.457 0.862 20 50 GCGDHM C[C@@]1(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCCS1 ZINC000820618395 945499682 /nfs/dbraw/zinc/49/96/82/945499682.db2.gz CCUJQKZKXCDJAS-INIZCTEOSA-N -1 3 391.457 0.862 20 50 GCGDHM C[C@]1(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCCS1 ZINC000820618396 945499924 /nfs/dbraw/zinc/49/99/24/945499924.db2.gz CCUJQKZKXCDJAS-MRXNPFEDSA-N -1 3 391.457 0.862 20 50 GCGDHM C[C@]1(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCCS1 ZINC000820618396 945499929 /nfs/dbraw/zinc/49/99/29/945499929.db2.gz CCUJQKZKXCDJAS-MRXNPFEDSA-N -1 3 391.457 0.862 20 50 GCGDHM C[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C(F)(F)F)O1 ZINC000820742977 945541857 /nfs/dbraw/zinc/54/18/57/945541857.db2.gz ORTDEAIDYSPUSS-LDYMZIIASA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C(F)(F)F)O1 ZINC000820742977 945541859 /nfs/dbraw/zinc/54/18/59/945541859.db2.gz ORTDEAIDYSPUSS-LDYMZIIASA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](C(F)(F)F)O1 ZINC000820744357 945545497 /nfs/dbraw/zinc/54/54/97/945545497.db2.gz YFUNYXPXDBEXDE-GZMMTYOYSA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](C(F)(F)F)O1 ZINC000820744357 945545503 /nfs/dbraw/zinc/54/55/03/945545503.db2.gz YFUNYXPXDBEXDE-GZMMTYOYSA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](C)S1 ZINC000820750386 945546102 /nfs/dbraw/zinc/54/61/02/945546102.db2.gz BFIAFOILFVTJQT-QWRGUYRKSA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](C)S1 ZINC000820750386 945546106 /nfs/dbraw/zinc/54/61/06/945546106.db2.gz BFIAFOILFVTJQT-QWRGUYRKSA-N -1 3 375.458 0.454 20 50 GCGDHM CC[C@@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820973597 945601300 /nfs/dbraw/zinc/60/13/00/945601300.db2.gz YFGIZNRGVAKFEG-CHWSQXEVSA-N -1 3 388.384 0.129 20 50 GCGDHM CC[C@@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820973597 945601301 /nfs/dbraw/zinc/60/13/01/945601301.db2.gz YFGIZNRGVAKFEG-CHWSQXEVSA-N -1 3 388.384 0.129 20 50 GCGDHM CCCC[C@@H](NC(=O)NCC)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821043918 945623408 /nfs/dbraw/zinc/62/34/08/945623408.db2.gz VOIQRMIEAZWSSY-CYBMUJFWSA-N -1 3 388.432 0.506 20 50 GCGDHM CCCC[C@@H](NC(=O)NCC)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821043918 945623413 /nfs/dbraw/zinc/62/34/13/945623413.db2.gz VOIQRMIEAZWSSY-CYBMUJFWSA-N -1 3 388.432 0.506 20 50 GCGDHM CCOC(=O)C[C@H](C)SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821325063 945670372 /nfs/dbraw/zinc/67/03/72/945670372.db2.gz BAZDIUISFNAREX-JTQLQIEISA-N -1 3 392.441 0.703 20 50 GCGDHM CCOC(=O)C[C@H](C)SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821325063 945670376 /nfs/dbraw/zinc/67/03/76/945670376.db2.gz BAZDIUISFNAREX-JTQLQIEISA-N -1 3 392.441 0.703 20 50 GCGDHM CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821509263 945712745 /nfs/dbraw/zinc/71/27/45/945712745.db2.gz FDFCMBOEIAXHPZ-UHFFFAOYSA-N -1 3 379.384 0.568 20 50 GCGDHM CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821509263 945712749 /nfs/dbraw/zinc/71/27/49/945712749.db2.gz FDFCMBOEIAXHPZ-UHFFFAOYSA-N -1 3 379.384 0.568 20 50 GCGDHM CCc1nncn1CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821553888 945714864 /nfs/dbraw/zinc/71/48/64/945714864.db2.gz LOUXONOKZRSRDN-QPEQYQDCSA-N -1 3 380.416 0.391 20 50 GCGDHM CCc1nncn1CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821553888 945714869 /nfs/dbraw/zinc/71/48/69/945714869.db2.gz LOUXONOKZRSRDN-QPEQYQDCSA-N -1 3 380.416 0.391 20 50 GCGDHM CN(C)C(=O)[C@@H](NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000821574408 945721397 /nfs/dbraw/zinc/72/13/97/945721397.db2.gz FMEGYHKIVURZBL-KRWDZBQOSA-N -1 3 395.423 0.696 20 50 GCGDHM CN(C)C(=O)[C@@H](NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000821574408 945721405 /nfs/dbraw/zinc/72/14/05/945721405.db2.gz FMEGYHKIVURZBL-KRWDZBQOSA-N -1 3 395.423 0.696 20 50 GCGDHM CN(C)c1ccc(NC(=S)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821589460 945727807 /nfs/dbraw/zinc/72/78/07/945727807.db2.gz ODIKLMSZLFIKNB-UHFFFAOYSA-N -1 3 385.457 0.903 20 50 GCGDHM CN(C)c1ccc(NC(=S)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821589460 945727813 /nfs/dbraw/zinc/72/78/13/945727813.db2.gz ODIKLMSZLFIKNB-UHFFFAOYSA-N -1 3 385.457 0.903 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1F ZINC000821593866 945732229 /nfs/dbraw/zinc/73/22/29/945732229.db2.gz NOIBGOKQISZTGH-UHFFFAOYSA-N -1 3 383.387 0.899 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1F ZINC000821593866 945732235 /nfs/dbraw/zinc/73/22/35/945732235.db2.gz NOIBGOKQISZTGH-UHFFFAOYSA-N -1 3 383.387 0.899 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1cccc(C#N)c1 ZINC000821593709 945733130 /nfs/dbraw/zinc/73/31/30/945733130.db2.gz GNDSZZYJRWFTLB-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1cccc(C#N)c1 ZINC000821593709 945733137 /nfs/dbraw/zinc/73/31/37/945733137.db2.gz GNDSZZYJRWFTLB-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM CNC(=O)CC1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000821631542 945761613 /nfs/dbraw/zinc/76/16/13/945761613.db2.gz LHQZLOUDQNNWEU-OQLLNIDSSA-N -1 3 396.455 0.795 20 50 GCGDHM CNC(=O)CC1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000821631542 945761616 /nfs/dbraw/zinc/76/16/16/945761616.db2.gz LHQZLOUDQNNWEU-OQLLNIDSSA-N -1 3 396.455 0.795 20 50 GCGDHM CNc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821637364 945763392 /nfs/dbraw/zinc/76/33/92/945763392.db2.gz CMJZWWRVMLZORO-UHFFFAOYSA-N -1 3 395.379 0.526 20 50 GCGDHM CNc1ccccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821637364 945763394 /nfs/dbraw/zinc/76/33/94/945763394.db2.gz CMJZWWRVMLZORO-UHFFFAOYSA-N -1 3 395.379 0.526 20 50 GCGDHM COC(=O)[C@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644534 945767854 /nfs/dbraw/zinc/76/78/54/945767854.db2.gz BWWVJCRQRFAVPH-JKSUJKDBSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644534 945767856 /nfs/dbraw/zinc/76/78/56/945767856.db2.gz BWWVJCRQRFAVPH-JKSUJKDBSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821645152 945769633 /nfs/dbraw/zinc/76/96/33/945769633.db2.gz SFMTZJFCWHZQII-INIZCTEOSA-N -1 3 382.380 0.781 20 50 GCGDHM COC(=O)[C@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000821645351 945771569 /nfs/dbraw/zinc/77/15/69/945771569.db2.gz XMGMKFKXQCFXGJ-OAHLLOKOSA-N -1 3 383.368 0.176 20 50 GCGDHM COC[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821682660 945804423 /nfs/dbraw/zinc/80/44/23/945804423.db2.gz LGBJTPXZXRPRHM-LBPRGKRZSA-N -1 3 377.405 0.247 20 50 GCGDHM COC[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821682660 945804432 /nfs/dbraw/zinc/80/44/32/945804432.db2.gz LGBJTPXZXRPRHM-LBPRGKRZSA-N -1 3 377.405 0.247 20 50 GCGDHM CS(=O)(=O)CCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821927136 945907501 /nfs/dbraw/zinc/90/75/01/945907501.db2.gz QQQSIMHAENPTGY-UHFFFAOYSA-N -1 3 378.336 0.763 20 50 GCGDHM CS(=O)(=O)CCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821927136 945907510 /nfs/dbraw/zinc/90/75/10/945907510.db2.gz QQQSIMHAENPTGY-UHFFFAOYSA-N -1 3 378.336 0.763 20 50 GCGDHM CSC1(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000821950349 945910061 /nfs/dbraw/zinc/91/00/61/945910061.db2.gz MQGNVINPUFUFEY-UHFFFAOYSA-N -1 3 391.457 0.723 20 50 GCGDHM CSC1(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000821950349 945910068 /nfs/dbraw/zinc/91/00/68/945910068.db2.gz MQGNVINPUFUFEY-UHFFFAOYSA-N -1 3 391.457 0.723 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C2CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000822028343 945941898 /nfs/dbraw/zinc/94/18/98/945941898.db2.gz NCCGJPHMGCQTJL-SNQWNFELSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000822028343 945941910 /nfs/dbraw/zinc/94/19/10/945941910.db2.gz NCCGJPHMGCQTJL-SNQWNFELSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](C)[S@](C)=O)cc(-c2nnn[n-]2)n1C ZINC000822028533 945943285 /nfs/dbraw/zinc/94/32/85/945943285.db2.gz PFYROEYWOWYOHC-FTCGEAAZSA-N -1 3 375.458 0.694 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](C)[S@](C)=O)cc(-c2nn[n-]n2)n1C ZINC000822028533 945943290 /nfs/dbraw/zinc/94/32/90/945943290.db2.gz PFYROEYWOWYOHC-FTCGEAAZSA-N -1 3 375.458 0.694 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CCS(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822028572 945946400 /nfs/dbraw/zinc/94/64/00/945946400.db2.gz QCZRNKUQLZGSDC-QVASGMJFSA-N -1 3 391.457 0.360 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CCS(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822028572 945946410 /nfs/dbraw/zinc/94/64/10/945946410.db2.gz QCZRNKUQLZGSDC-QVASGMJFSA-N -1 3 391.457 0.360 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000822029104 945952024 /nfs/dbraw/zinc/95/20/24/945952024.db2.gz VSADWAJQNGMKBH-YQJFHSMKSA-N -1 3 382.384 0.084 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000822029104 945952031 /nfs/dbraw/zinc/95/20/31/945952031.db2.gz VSADWAJQNGMKBH-YQJFHSMKSA-N -1 3 382.384 0.084 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)[nH]1 ZINC000822182866 945972528 /nfs/dbraw/zinc/97/25/28/945972528.db2.gz BJSAUSAETYJMEN-UHFFFAOYSA-N -1 3 383.368 0.430 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)[nH]1 ZINC000822182866 945972536 /nfs/dbraw/zinc/97/25/36/945972536.db2.gz BJSAUSAETYJMEN-UHFFFAOYSA-N -1 3 383.368 0.430 20 50 GCGDHM Cc1cc([C@](C)(O)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)o1 ZINC000822191332 945974829 /nfs/dbraw/zinc/97/48/29/945974829.db2.gz IRPXKOFJVTWWSS-GOSISDBHSA-N -1 3 399.411 0.928 20 50 GCGDHM Cc1cc([C@](C)(O)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC000822191332 945974837 /nfs/dbraw/zinc/97/48/37/945974837.db2.gz IRPXKOFJVTWWSS-GOSISDBHSA-N -1 3 399.411 0.928 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)[nH]1 ZINC000822183920 945975034 /nfs/dbraw/zinc/97/50/34/945975034.db2.gz LZKIEIAQMJKXTF-UHFFFAOYSA-N -1 3 383.368 0.430 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)[nH]1 ZINC000822183920 945975040 /nfs/dbraw/zinc/97/50/40/945975040.db2.gz LZKIEIAQMJKXTF-UHFFFAOYSA-N -1 3 383.368 0.430 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)oc1C ZINC000822183999 945975563 /nfs/dbraw/zinc/97/55/63/945975563.db2.gz NFMRVSFQUUGMKF-UHFFFAOYSA-N -1 3 384.352 0.695 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)oc1C ZINC000822183999 945975566 /nfs/dbraw/zinc/97/55/66/945975566.db2.gz NFMRVSFQUUGMKF-UHFFFAOYSA-N -1 3 384.352 0.695 20 50 GCGDHM Cc1cc(N)ccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822205946 945990621 /nfs/dbraw/zinc/99/06/21/945990621.db2.gz OHGPEBQRPRALFL-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1cc(N)ccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822205946 945990629 /nfs/dbraw/zinc/99/06/29/945990629.db2.gz OHGPEBQRPRALFL-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822226306 946006253 /nfs/dbraw/zinc/00/62/53/946006253.db2.gz LVOILIIESLONHE-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822226306 946006262 /nfs/dbraw/zinc/00/62/62/946006262.db2.gz LVOILIIESLONHE-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1ccc([C@H](C)C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822227463 946008071 /nfs/dbraw/zinc/00/80/71/946008071.db2.gz JSUWVWVJWMGACE-NSHDSACASA-N -1 3 398.379 0.876 20 50 GCGDHM Cc1ccc([C@H](C)C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822227463 946008082 /nfs/dbraw/zinc/00/80/82/946008082.db2.gz JSUWVWVJWMGACE-NSHDSACASA-N -1 3 398.379 0.876 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000822227869 946009025 /nfs/dbraw/zinc/00/90/25/946009025.db2.gz YXEIDBJLIQVHQE-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000822227869 946009032 /nfs/dbraw/zinc/00/90/32/946009032.db2.gz YXEIDBJLIQVHQE-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(O)c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822258882 946031912 /nfs/dbraw/zinc/03/19/12/946031912.db2.gz GFPZNJDNNOEQMC-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1ccc(O)c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822258882 946031924 /nfs/dbraw/zinc/03/19/24/946031924.db2.gz GFPZNJDNNOEQMC-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822288724 946045211 /nfs/dbraw/zinc/04/52/11/946045211.db2.gz HQDAZDBCPUWFTP-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822288724 946045218 /nfs/dbraw/zinc/04/52/18/946045218.db2.gz HQDAZDBCPUWFTP-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822288847 946045857 /nfs/dbraw/zinc/04/58/57/946045857.db2.gz LCDOGKVVGZVQAF-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822288847 946045869 /nfs/dbraw/zinc/04/58/69/946045869.db2.gz LCDOGKVVGZVQAF-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822288560 946046411 /nfs/dbraw/zinc/04/64/11/946046411.db2.gz BQYJXXWVBHOKDJ-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822288560 946046424 /nfs/dbraw/zinc/04/64/24/946046424.db2.gz BQYJXXWVBHOKDJ-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1cccc2c1CCN(CC(=O)NNC(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000822340663 946058868 /nfs/dbraw/zinc/05/88/68/946058868.db2.gz BODHRIJNAXYTRV-UHFFFAOYSA-N -1 3 391.435 0.994 20 50 GCGDHM Cc1cccc2c1CCN(CC(=O)NNC(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822340663 946058881 /nfs/dbraw/zinc/05/88/81/946058881.db2.gz BODHRIJNAXYTRV-UHFFFAOYSA-N -1 3 391.435 0.994 20 50 GCGDHM Cc1ccccc1CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822356146 946065830 /nfs/dbraw/zinc/06/58/30/946065830.db2.gz KQWFKJVRHPAHIA-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1ccccc1CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822356146 946065841 /nfs/dbraw/zinc/06/58/41/946065841.db2.gz KQWFKJVRHPAHIA-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1nc2n(n1)CCC[C@H]2NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822462655 946097470 /nfs/dbraw/zinc/09/74/70/946097470.db2.gz KUPTXNHUDVWBIM-GFCCVEGCSA-N -1 3 382.388 0.246 20 50 GCGDHM Cc1nc2n(n1)CCC[C@H]2NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822462655 946097479 /nfs/dbraw/zinc/09/74/79/946097479.db2.gz KUPTXNHUDVWBIM-GFCCVEGCSA-N -1 3 382.388 0.246 20 50 GCGDHM Cn1c(NNC(=O)COc2ccccc2-c2nnn[n-]2)nc2ccccc2c1=O ZINC000822600680 946135693 /nfs/dbraw/zinc/13/56/93/946135693.db2.gz PLUXPLCCOJWMER-UHFFFAOYSA-N -1 3 392.379 0.636 20 50 GCGDHM Cn1c(NNC(=O)COc2ccccc2-c2nn[n-]n2)nc2ccccc2c1=O ZINC000822600680 946135703 /nfs/dbraw/zinc/13/57/03/946135703.db2.gz PLUXPLCCOJWMER-UHFFFAOYSA-N -1 3 392.379 0.636 20 50 GCGDHM Cn1cc(C[C@H]2CCN(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000822673918 946151566 /nfs/dbraw/zinc/15/15/66/946151566.db2.gz GPJADRPXVNGUEI-GFCCVEGCSA-N -1 3 395.427 0.519 20 50 GCGDHM Cn1cc(C[C@H]2CCN(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822673918 946151577 /nfs/dbraw/zinc/15/15/77/946151577.db2.gz GPJADRPXVNGUEI-GFCCVEGCSA-N -1 3 395.427 0.519 20 50 GCGDHM Cn1cc(N2CCC[C@@H](NC(=O)NNc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000822680458 946156125 /nfs/dbraw/zinc/15/61/25/946156125.db2.gz OOGNZNLKTDKNIX-CQSZACIVSA-N -1 3 382.432 0.895 20 50 GCGDHM Cn1cc(N2CCC[C@@H](NC(=O)NNc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000822680458 946156131 /nfs/dbraw/zinc/15/61/31/946156131.db2.gz OOGNZNLKTDKNIX-CQSZACIVSA-N -1 3 382.432 0.895 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)C=Cc1ccccc1-c1nnn[n-]1)[nH]c2=O ZINC000822708651 946163368 /nfs/dbraw/zinc/16/33/68/946163368.db2.gz AOVVBQRXIMWLMX-VOTSOKGWSA-N -1 3 378.356 0.406 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)C=Cc1ccccc1-c1nn[n-]n1)[nH]c2=O ZINC000822708651 946163377 /nfs/dbraw/zinc/16/33/77/946163377.db2.gz AOVVBQRXIMWLMX-VOTSOKGWSA-N -1 3 378.356 0.406 20 50 GCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNc2ccncc2Cl)cc1 ZINC000822904342 946214966 /nfs/dbraw/zinc/21/49/66/946214966.db2.gz WEUVKAMULPYUOA-UHFFFAOYSA-N -1 3 396.802 0.862 20 50 GCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNc2ccncc2Cl)cc1 ZINC000822904342 946214978 /nfs/dbraw/zinc/21/49/78/946214978.db2.gz WEUVKAMULPYUOA-UHFFFAOYSA-N -1 3 396.802 0.862 20 50 GCGDHM O=C(CN1CCOc2ccccc2C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823000903 946258792 /nfs/dbraw/zinc/25/87/92/946258792.db2.gz DLUQPIMSQVGAOG-UHFFFAOYSA-N -1 3 393.407 0.522 20 50 GCGDHM O=C(CN1CCOc2ccccc2C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823000903 946258800 /nfs/dbraw/zinc/25/88/00/946258800.db2.gz DLUQPIMSQVGAOG-UHFFFAOYSA-N -1 3 393.407 0.522 20 50 GCGDHM O=C(CN1CCC[C@H](C(F)(F)F)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822997970 946259178 /nfs/dbraw/zinc/25/91/78/946259178.db2.gz YCFSASMVBKYXNI-LBPRGKRZSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(CN1CCC[C@H](C(F)(F)F)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822997970 946259187 /nfs/dbraw/zinc/25/91/87/946259187.db2.gz YCFSASMVBKYXNI-LBPRGKRZSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(CN1CCc2ccc(O)cc2C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823001597 946261193 /nfs/dbraw/zinc/26/11/93/946261193.db2.gz NODNGMMTQRWEAO-UHFFFAOYSA-N -1 3 393.407 0.392 20 50 GCGDHM O=C(CN1CCc2ccc(O)cc2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823001597 946261204 /nfs/dbraw/zinc/26/12/04/946261204.db2.gz NODNGMMTQRWEAO-UHFFFAOYSA-N -1 3 393.407 0.392 20 50 GCGDHM O=C(COC(=O)C1(C(F)(F)F)CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823014151 946267107 /nfs/dbraw/zinc/26/71/07/946267107.db2.gz HWEZINVGSXOLIP-UHFFFAOYSA-N -1 3 398.301 0.513 20 50 GCGDHM O=C(COC(=O)C1(C(F)(F)F)CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823014151 946267114 /nfs/dbraw/zinc/26/71/14/946267114.db2.gz HWEZINVGSXOLIP-UHFFFAOYSA-N -1 3 398.301 0.513 20 50 GCGDHM O=C(C=Cc1ccsc1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823017540 946268856 /nfs/dbraw/zinc/26/88/56/946268856.db2.gz BBYRYZNOCQYENS-LZCJLJQNSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(C=Cc1ccsc1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823017540 946268866 /nfs/dbraw/zinc/26/88/66/946268866.db2.gz BBYRYZNOCQYENS-LZCJLJQNSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(COC(=O)COc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018294 946270785 /nfs/dbraw/zinc/27/07/85/946270785.db2.gz JXQVNPBYRTWBSZ-UHFFFAOYSA-N -1 3 396.363 0.250 20 50 GCGDHM O=C(COC(=O)COc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018294 946270795 /nfs/dbraw/zinc/27/07/95/946270795.db2.gz JXQVNPBYRTWBSZ-UHFFFAOYSA-N -1 3 396.363 0.250 20 50 GCGDHM O=C(COC(=O)CC[C@H]1CCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823017999 946271193 /nfs/dbraw/zinc/27/11/93/946271193.db2.gz GHSWKEJDQTZMLC-CYBMUJFWSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)CC[C@H]1CCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823017999 946271203 /nfs/dbraw/zinc/27/12/03/946271203.db2.gz GHSWKEJDQTZMLC-CYBMUJFWSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(C=Cc1cccs1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018058 946271665 /nfs/dbraw/zinc/27/16/65/946271665.db2.gz HDRJYPFHYTYMOW-BQYQJAHWSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(C=Cc1cccs1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018058 946271674 /nfs/dbraw/zinc/27/16/74/946271674.db2.gz HDRJYPFHYTYMOW-BQYQJAHWSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(COC(=O)CCc1ccoc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018123 946271693 /nfs/dbraw/zinc/27/16/93/946271693.db2.gz HWIZPGFVJZQPPJ-UHFFFAOYSA-N -1 3 384.352 0.397 20 50 GCGDHM O=C(COC(=O)CCc1ccoc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018123 946271701 /nfs/dbraw/zinc/27/17/01/946271701.db2.gz HWIZPGFVJZQPPJ-UHFFFAOYSA-N -1 3 384.352 0.397 20 50 GCGDHM O=C(COC(=O)Cc1ccccc1F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823022761 946279219 /nfs/dbraw/zinc/27/92/19/946279219.db2.gz NPSVXEMFDNQUJE-UHFFFAOYSA-N -1 3 398.354 0.553 20 50 GCGDHM O=C(COC(=O)Cc1ccccc1F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823022761 946279231 /nfs/dbraw/zinc/27/92/31/946279231.db2.gz NPSVXEMFDNQUJE-UHFFFAOYSA-N -1 3 398.354 0.553 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCCCc1ccccn1 ZINC000823050153 946295993 /nfs/dbraw/zinc/29/59/93/946295993.db2.gz QYOIINCBBDPECN-UHFFFAOYSA-N -1 3 396.411 0.604 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCCCc1ccccn1 ZINC000823050153 946296000 /nfs/dbraw/zinc/29/60/00/946296000.db2.gz QYOIINCBBDPECN-UHFFFAOYSA-N -1 3 396.411 0.604 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCc1ccc(F)cn1 ZINC000823050393 946296640 /nfs/dbraw/zinc/29/66/40/946296640.db2.gz XTRUGVAPMXQMBL-UHFFFAOYSA-N -1 3 386.347 0.310 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCc1ccc(F)cn1 ZINC000823050393 946296646 /nfs/dbraw/zinc/29/66/46/946296646.db2.gz XTRUGVAPMXQMBL-UHFFFAOYSA-N -1 3 386.347 0.310 20 50 GCGDHM O=C(Cc1ccncc1)NNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823114729 946316335 /nfs/dbraw/zinc/31/63/35/946316335.db2.gz CELOZQLMHVHITG-UHFFFAOYSA-N -1 3 382.384 0.214 20 50 GCGDHM O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823136147 946325821 /nfs/dbraw/zinc/32/58/21/946325821.db2.gz LWIIDDPBWGKKBH-UHFFFAOYSA-N -1 3 380.397 0.732 20 50 GCGDHM O=C(NN=Cc1cc(-c2nnn[n-]2)cs1)c1csc(N2CCOCC2)n1 ZINC000823273818 946391352 /nfs/dbraw/zinc/39/13/52/946391352.db2.gz ZPYCODCKSHSMGZ-UHFFFAOYSA-N -1 3 390.454 0.985 20 50 GCGDHM O=C(NN=Cc1cc(-c2nn[n-]n2)cs1)c1csc(N2CCOCC2)n1 ZINC000823273818 946391364 /nfs/dbraw/zinc/39/13/64/946391364.db2.gz ZPYCODCKSHSMGZ-UHFFFAOYSA-N -1 3 390.454 0.985 20 50 GCGDHM O=C(NNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277454 946402280 /nfs/dbraw/zinc/40/22/80/946402280.db2.gz NJFPOWVWJIZUTM-RDTXWAMCSA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277454 946402289 /nfs/dbraw/zinc/40/22/89/946402289.db2.gz NJFPOWVWJIZUTM-RDTXWAMCSA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@@H](c2ccco2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277584 946405081 /nfs/dbraw/zinc/40/50/81/946405081.db2.gz QXLPFEJPKDMIIP-CQSZACIVSA-N -1 3 383.368 0.888 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@@H](c2ccco2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277584 946405092 /nfs/dbraw/zinc/40/50/92/946405092.db2.gz QXLPFEJPKDMIIP-CQSZACIVSA-N -1 3 383.368 0.888 20 50 GCGDHM C=CCS(=O)(=O)CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823931678 946519060 /nfs/dbraw/zinc/51/90/60/946519060.db2.gz CYSGQOPABVIMDJ-MDWZMJQESA-N -1 3 389.441 0.138 20 50 GCGDHM C=CCS(=O)(=O)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823931678 946519070 /nfs/dbraw/zinc/51/90/70/946519070.db2.gz CYSGQOPABVIMDJ-MDWZMJQESA-N -1 3 389.441 0.138 20 50 GCGDHM C[C@@H](Oc1cccc(CO)c1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824739052 946921402 /nfs/dbraw/zinc/92/14/02/946921402.db2.gz UQGITOLSEGHRAS-LLVKDONJSA-N -1 3 382.380 0.588 20 50 GCGDHM C[C@@H](Oc1cccc(CO)c1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824739052 946921415 /nfs/dbraw/zinc/92/14/15/946921415.db2.gz UQGITOLSEGHRAS-LLVKDONJSA-N -1 3 382.380 0.588 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826160204 947502410 /nfs/dbraw/zinc/50/24/10/947502410.db2.gz ISZMMJPUZJPEDM-QMMMGPOBSA-N -1 3 383.796 0.724 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826160204 947502421 /nfs/dbraw/zinc/50/24/21/947502421.db2.gz ISZMMJPUZJPEDM-QMMMGPOBSA-N -1 3 383.796 0.724 20 50 GCGDHM CSC[C@@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826228322 947669375 /nfs/dbraw/zinc/66/93/75/947669375.db2.gz LORDMZKBLCPGAQ-MVXISAMASA-N -1 3 375.458 0.651 20 50 GCGDHM CSC[C@@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826228322 947669380 /nfs/dbraw/zinc/66/93/80/947669380.db2.gz LORDMZKBLCPGAQ-MVXISAMASA-N -1 3 375.458 0.651 20 50 GCGDHM Cc1cn2c(n1)CN(C(=O)C(C#N)=Cc1cc(-c3nnn[n-]3)n(C)c1C)CC2 ZINC000826316944 947926059 /nfs/dbraw/zinc/92/60/59/947926059.db2.gz GEDHQMQWYGQGNN-MKMNVTDBSA-N -1 3 377.412 0.968 20 50 GCGDHM Cc1cn2c(n1)CN(C(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)CC2 ZINC000826316944 947926070 /nfs/dbraw/zinc/92/60/70/947926070.db2.gz GEDHQMQWYGQGNN-MKMNVTDBSA-N -1 3 377.412 0.968 20 50 GCGDHM Cc1cnc([C@@H](C)NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)o1 ZINC000826317711 947929075 /nfs/dbraw/zinc/92/90/75/947929075.db2.gz LLFKKFUHYARLNQ-SNVBAGLBSA-N -1 3 386.372 0.634 20 50 GCGDHM Cc1cnc([C@@H](C)NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)o1 ZINC000826317711 947929081 /nfs/dbraw/zinc/92/90/81/947929081.db2.gz LLFKKFUHYARLNQ-SNVBAGLBSA-N -1 3 386.372 0.634 20 50 GCGDHM Cc1cnc([C@H](C)NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826317858 947930603 /nfs/dbraw/zinc/93/06/03/947930603.db2.gz OTKQYLWHEKPTBS-JTQLQIEISA-N -1 3 386.372 0.634 20 50 GCGDHM N#Cc1cc(Cl)nc(NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826383559 948184273 /nfs/dbraw/zinc/18/42/73/948184273.db2.gz GYIDRMOSTUXPCZ-UHFFFAOYSA-N -1 3 397.786 0.660 20 50 GCGDHM N#Cc1cc(Cl)nc(NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826383559 948184283 /nfs/dbraw/zinc/18/42/83/948184283.db2.gz GYIDRMOSTUXPCZ-UHFFFAOYSA-N -1 3 397.786 0.660 20 50 GCGDHM O=C(COC(=O)[C@@H]1CCCCS1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826415674 948256819 /nfs/dbraw/zinc/25/68/19/948256819.db2.gz NYCUBQSAISMENU-LBPRGKRZSA-N -1 3 390.425 0.457 20 50 GCGDHM O=C(COC(=O)[C@@H]1CCCCS1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826415674 948256828 /nfs/dbraw/zinc/25/68/28/948256828.db2.gz NYCUBQSAISMENU-LBPRGKRZSA-N -1 3 390.425 0.457 20 50 GCGDHM C[C@@H](c1cccnc1)N(C)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001575517515 949227635 /nfs/dbraw/zinc/22/76/35/949227635.db2.gz VVDHYQVMNHCNGR-LBPRGKRZSA-N -1 3 380.412 0.716 20 50 GCGDHM C[C@@H](c1cccnc1)N(C)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001575517515 949227652 /nfs/dbraw/zinc/22/76/52/949227652.db2.gz VVDHYQVMNHCNGR-LBPRGKRZSA-N -1 3 380.412 0.716 20 50 GCGDHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001576218959 950800092 /nfs/dbraw/zinc/80/00/92/950800092.db2.gz SAQKQADOVOPDOZ-HWPZZCPQSA-N -1 3 396.411 0.482 20 50 GCGDHM CN(C)S(=O)(=O)c1ccsc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825875300 607345644 /nfs/dbraw/zinc/34/56/44/607345644.db2.gz JAWUFJJPQPFUEZ-UHFFFAOYSA-N -1 3 393.454 0.935 20 50 GCGDHM CN1C(=O)C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1cccnc1 ZINC000826010438 607347981 /nfs/dbraw/zinc/34/79/81/607347981.db2.gz IXDZCODTSVOWOY-ZBFHGGJFSA-N -1 3 378.396 0.924 20 50 GCGDHM CN1C(=O)C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccnc1 ZINC000826010435 607348014 /nfs/dbraw/zinc/34/80/14/607348014.db2.gz IXDZCODTSVOWOY-GOEBONIOSA-N -1 3 378.396 0.924 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000826446922 607347427 /nfs/dbraw/zinc/34/74/27/607347427.db2.gz FLOXUZGFAZFMBM-UHFFFAOYSA-N -1 3 392.379 0.675 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000826446116 607349635 /nfs/dbraw/zinc/34/96/35/607349635.db2.gz AHLKEZFLMDAWIO-CQSZACIVSA-N -1 3 386.397 0.040 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000826446173 607350696 /nfs/dbraw/zinc/35/06/96/607350696.db2.gz CFXVIQQOFAMYGZ-HNNXBMFYSA-N -1 3 376.384 0.780 20 50 GCGDHM CN(CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccnc1 ZINC000825892653 607353917 /nfs/dbraw/zinc/35/39/17/607353917.db2.gz RNUVUSWVYWHZBI-UHFFFAOYSA-N -1 3 388.413 0.026 20 50 GCGDHM CNS(=O)(=O)c1csc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826090928 607356342 /nfs/dbraw/zinc/35/63/42/607356342.db2.gz QVZCYOINVNLDEL-UHFFFAOYSA-N -1 3 379.427 0.593 20 50 GCGDHM CCNC(=O)C(C)(C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825465038 607511380 /nfs/dbraw/zinc/51/13/80/607511380.db2.gz GRUUPSRUJRJZNI-QPEQYQDCSA-N -1 3 384.444 0.699 20 50 GCGDHM CCNC(=O)C(C)(C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825465038 607511382 /nfs/dbraw/zinc/51/13/82/607511382.db2.gz GRUUPSRUJRJZNI-QPEQYQDCSA-N -1 3 384.444 0.699 20 50 GCGDHM O=C(Cn1sc2ccccc2c1=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826425870 607552841 /nfs/dbraw/zinc/55/28/41/607552841.db2.gz XJGIXESUMZBHKA-UHFFFAOYSA-N -1 3 395.404 0.704 20 50 GCGDHM O=C(Cn1sc2ccccc2c1=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826425870 607552842 /nfs/dbraw/zinc/55/28/42/607552842.db2.gz XJGIXESUMZBHKA-UHFFFAOYSA-N -1 3 395.404 0.704 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826200596 607565289 /nfs/dbraw/zinc/56/52/89/607565289.db2.gz YFANEGAQEJWXFQ-UHFFFAOYSA-N -1 3 392.379 0.891 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000826200596 607565290 /nfs/dbraw/zinc/56/52/90/607565290.db2.gz YFANEGAQEJWXFQ-UHFFFAOYSA-N -1 3 392.379 0.891 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)Cn2nc(C)cc2C)cc1-c1nnn[n-]1 ZINC000826200150 607623981 /nfs/dbraw/zinc/62/39/81/607623981.db2.gz AISKWSOTQNFLAS-UHFFFAOYSA-N -1 3 399.415 0.219 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)Cn2nc(C)cc2C)cc1-c1nn[n-]n1 ZINC000826200150 607623982 /nfs/dbraw/zinc/62/39/82/607623982.db2.gz AISKWSOTQNFLAS-UHFFFAOYSA-N -1 3 399.415 0.219 20 50 GCGDHM CNC(=O)c1cccc(CCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826073450 607713237 /nfs/dbraw/zinc/71/32/37/607713237.db2.gz SFOUKVWJSSWLQY-UHFFFAOYSA-N -1 3 393.407 0.620 20 50 GCGDHM CNC(=O)c1cccc(CCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826073450 607713239 /nfs/dbraw/zinc/71/32/39/607713239.db2.gz SFOUKVWJSSWLQY-UHFFFAOYSA-N -1 3 393.407 0.620 20 50 GCGDHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825875142 607716803 /nfs/dbraw/zinc/71/68/03/607716803.db2.gz APXSWUMJPMYYLA-UHFFFAOYSA-N -1 3 376.402 0.202 20 50 GCGDHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825875142 607716804 /nfs/dbraw/zinc/71/68/04/607716804.db2.gz APXSWUMJPMYYLA-UHFFFAOYSA-N -1 3 376.402 0.202 20 50 GCGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc(S(N)(=O)=O)c1C ZINC000826259779 607717449 /nfs/dbraw/zinc/71/74/49/607717449.db2.gz FWUIZZWJWMLTKM-UHFFFAOYSA-N -1 3 387.425 0.888 20 50 GCGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc(S(N)(=O)=O)c1C ZINC000826259779 607717451 /nfs/dbraw/zinc/71/74/51/607717451.db2.gz FWUIZZWJWMLTKM-UHFFFAOYSA-N -1 3 387.425 0.888 20 50 GCGDHM O=C(CN1CCN(c2ccccn2)CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826411016 607721383 /nfs/dbraw/zinc/72/13/83/607721383.db2.gz HWGDJWSKIRJWNA-UHFFFAOYSA-N -1 3 379.428 0.527 20 50 GCGDHM O=C(CN1CCN(c2ccccn2)CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826411016 607721384 /nfs/dbraw/zinc/72/13/84/607721384.db2.gz HWGDJWSKIRJWNA-UHFFFAOYSA-N -1 3 379.428 0.527 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000826448362 607726964 /nfs/dbraw/zinc/72/69/64/607726964.db2.gz SBVCSCRJHWRXTG-AWEZNQCLSA-N -1 3 386.397 0.040 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000826448362 607726966 /nfs/dbraw/zinc/72/69/66/607726966.db2.gz SBVCSCRJHWRXTG-AWEZNQCLSA-N -1 3 386.397 0.040 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000826447456 607728486 /nfs/dbraw/zinc/72/84/86/607728486.db2.gz GMJKDOHTUDDBNK-HNNXBMFYSA-N -1 3 376.384 0.780 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000826447456 607728488 /nfs/dbraw/zinc/72/84/88/607728488.db2.gz GMJKDOHTUDDBNK-HNNXBMFYSA-N -1 3 376.384 0.780 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCc1ncccc1F ZINC000826419193 607782594 /nfs/dbraw/zinc/78/25/94/607782594.db2.gz NALYSRFOBKSRID-UHFFFAOYSA-N -1 3 386.347 0.310 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCc1ncccc1F ZINC000826419193 607782595 /nfs/dbraw/zinc/78/25/95/607782595.db2.gz NALYSRFOBKSRID-UHFFFAOYSA-N -1 3 386.347 0.310 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCc1ncccc1F ZINC000826417223 607782666 /nfs/dbraw/zinc/78/26/66/607782666.db2.gz JBMLRLAHMABVEM-UHFFFAOYSA-N -1 3 386.347 0.310 20 50 GCGDHM O=C(NNC(=O)N1CCC(Cn2ccnn2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444638 607793413 /nfs/dbraw/zinc/79/34/13/607793413.db2.gz OFBXROMKWZSGOY-UHFFFAOYSA-N -1 3 396.415 0.225 20 50 GCGDHM O=C(NNC(=O)N1CCC(Cn2ccnn2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444638 607793414 /nfs/dbraw/zinc/79/34/14/607793414.db2.gz OFBXROMKWZSGOY-UHFFFAOYSA-N -1 3 396.415 0.225 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826445078 607823702 /nfs/dbraw/zinc/82/37/02/607823702.db2.gz GKZIBSINHIHIND-BFHYXJOUSA-N -1 3 383.412 0.768 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826445078 607823703 /nfs/dbraw/zinc/82/37/03/607823703.db2.gz GKZIBSINHIHIND-BFHYXJOUSA-N -1 3 383.412 0.768 20 50 GCGDHM CC(=O)N1CC[C@H](CN(C)C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000823974179 607861800 /nfs/dbraw/zinc/86/18/00/607861800.db2.gz NWWXPVYISMQHII-WYLIHXSISA-N -1 3 396.455 0.747 20 50 GCGDHM CC(=O)N1CC[C@H](CN(C)C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000823974179 607861801 /nfs/dbraw/zinc/86/18/01/607861801.db2.gz NWWXPVYISMQHII-WYLIHXSISA-N -1 3 396.455 0.747 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCNC(=O)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235438 607915547 /nfs/dbraw/zinc/91/55/47/607915547.db2.gz JYQBKOYSJBVPPG-ZSOIEALJSA-N -1 3 384.444 0.699 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCNC(=O)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235438 607915548 /nfs/dbraw/zinc/91/55/48/607915548.db2.gz JYQBKOYSJBVPPG-ZSOIEALJSA-N -1 3 384.444 0.699 20 50 GCGDHM CC(C)N(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccccn1 ZINC000824289246 607921199 /nfs/dbraw/zinc/92/11/99/607921199.db2.gz YMHUTBXRSOXBIP-UHFFFAOYSA-N -1 3 394.439 0.933 20 50 GCGDHM CC(C)N(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccccn1 ZINC000824289246 607921200 /nfs/dbraw/zinc/92/12/00/607921200.db2.gz YMHUTBXRSOXBIP-UHFFFAOYSA-N -1 3 394.439 0.933 20 50 GCGDHM O=C(CN1CCO[C@H]2CCCC[C@@H]21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411361 607921734 /nfs/dbraw/zinc/92/17/34/607921734.db2.gz WBYDPIJVALIINQ-GJZGRUSLSA-N -1 3 385.428 0.271 20 50 GCGDHM O=C(CN1CCO[C@H]2CCCC[C@@H]21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411361 607921735 /nfs/dbraw/zinc/92/17/35/607921735.db2.gz WBYDPIJVALIINQ-GJZGRUSLSA-N -1 3 385.428 0.271 20 50 GCGDHM Cc1cc([C@@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)on1 ZINC000826266016 607921981 /nfs/dbraw/zinc/92/19/81/607921981.db2.gz YRZDMYDJSPZOFQ-AWEZNQCLSA-N -1 3 396.411 0.761 20 50 GCGDHM Cc1cc([C@@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)on1 ZINC000826266016 607921982 /nfs/dbraw/zinc/92/19/82/607921982.db2.gz YRZDMYDJSPZOFQ-AWEZNQCLSA-N -1 3 396.411 0.761 20 50 GCGDHM N#CCCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccco1 ZINC000826381603 607923929 /nfs/dbraw/zinc/92/39/29/607923929.db2.gz RLLOLAQCPQXFGN-UHFFFAOYSA-N -1 3 394.395 0.637 20 50 GCGDHM N#CCCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccco1 ZINC000826381603 607923930 /nfs/dbraw/zinc/92/39/30/607923930.db2.gz RLLOLAQCPQXFGN-UHFFFAOYSA-N -1 3 394.395 0.637 20 50 GCGDHM C[C@H]1COc2ccccc2N1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825014794 607925110 /nfs/dbraw/zinc/92/51/10/607925110.db2.gz XYQUPJXQZHNJNV-LBPRGKRZSA-N -1 3 393.407 0.915 20 50 GCGDHM C[C@H]1COc2ccccc2N1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825014794 607925111 /nfs/dbraw/zinc/92/51/11/607925111.db2.gz XYQUPJXQZHNJNV-LBPRGKRZSA-N -1 3 393.407 0.915 20 50 GCGDHM O=C(NCCc1cccc([N+](=O)[O-])c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826440071 607979956 /nfs/dbraw/zinc/97/99/56/607979956.db2.gz XLEMNSLKDGCMGY-UHFFFAOYSA-N -1 3 396.367 0.962 20 50 GCGDHM O=C(NCCc1cccc([N+](=O)[O-])c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826440071 607979957 /nfs/dbraw/zinc/97/99/57/607979957.db2.gz XLEMNSLKDGCMGY-UHFFFAOYSA-N -1 3 396.367 0.962 20 50 GCGDHM CCOC(=O)CC[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825506835 608033869 /nfs/dbraw/zinc/03/38/69/608033869.db2.gz OCEWBYKPEAYRTB-JTQLQIEISA-N -1 3 375.389 0.543 20 50 GCGDHM CCOC(=O)CC[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825506835 608033870 /nfs/dbraw/zinc/03/38/70/608033870.db2.gz OCEWBYKPEAYRTB-JTQLQIEISA-N -1 3 375.389 0.543 20 50 GCGDHM Cc1c(O)cccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826242685 608058226 /nfs/dbraw/zinc/05/82/26/608058226.db2.gz AVYGQWQRLLKHAI-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1c(O)cccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826242685 608058227 /nfs/dbraw/zinc/05/82/27/608058227.db2.gz AVYGQWQRLLKHAI-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1c(O)cccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826242789 608058341 /nfs/dbraw/zinc/05/83/41/608058341.db2.gz GIMWGJKVXGLHSG-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1c(O)cccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826242789 608058342 /nfs/dbraw/zinc/05/83/42/608058342.db2.gz GIMWGJKVXGLHSG-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM CC(C)(C)OC(=O)N1CC(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824103719 608134035 /nfs/dbraw/zinc/13/40/35/608134035.db2.gz IOLOACPCFBCXTJ-UHFFFAOYSA-N -1 3 387.400 0.495 20 50 GCGDHM CC(C)(C)OC(=O)N1CC(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824103719 608134036 /nfs/dbraw/zinc/13/40/36/608134036.db2.gz IOLOACPCFBCXTJ-UHFFFAOYSA-N -1 3 387.400 0.495 20 50 GCGDHM O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826422820 608135107 /nfs/dbraw/zinc/13/51/07/608135107.db2.gz NIFCMZZFDWKXIO-UHFFFAOYSA-N -1 3 377.364 0.365 20 50 GCGDHM O=C(Cc1ccc2c(c1)NC(=O)C2)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826422820 608135108 /nfs/dbraw/zinc/13/51/08/608135108.db2.gz NIFCMZZFDWKXIO-UHFFFAOYSA-N -1 3 377.364 0.365 20 50 GCGDHM Cc1cccc2c1CCN2CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826305498 608165185 /nfs/dbraw/zinc/16/51/85/608165185.db2.gz YROXVCWDWLIHDY-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM Cc1cccc2c1CCN2CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826305498 608165187 /nfs/dbraw/zinc/16/51/87/608165187.db2.gz YROXVCWDWLIHDY-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM COc1cccc([C@@H](O)C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826215076 608182260 /nfs/dbraw/zinc/18/22/60/608182260.db2.gz GALHQDZGSICWIC-MRXNPFEDSA-N -1 3 398.379 0.135 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)CC(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235734 608182340 /nfs/dbraw/zinc/18/23/40/608182340.db2.gz PUYUORWKOWOIAS-LFJXOHPOSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)CC(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235734 608182342 /nfs/dbraw/zinc/18/23/42/608182342.db2.gz PUYUORWKOWOIAS-LFJXOHPOSA-N -1 3 383.334 0.850 20 50 GCGDHM C[C@H]1C[C@H](CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824885008 608203828 /nfs/dbraw/zinc/20/38/28/608203828.db2.gz QNYVCMTWGYCXPG-NWDGAFQWSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H]1C[C@H](CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824885008 608203829 /nfs/dbraw/zinc/20/38/29/608203829.db2.gz QNYVCMTWGYCXPG-NWDGAFQWSA-N -1 3 389.416 0.391 20 50 GCGDHM CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824114307 608206207 /nfs/dbraw/zinc/20/62/07/608206207.db2.gz NURDOMXBFDCRIU-UHFFFAOYSA-N -1 3 378.393 0.261 20 50 GCGDHM CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824114307 608206208 /nfs/dbraw/zinc/20/62/08/608206208.db2.gz NURDOMXBFDCRIU-UHFFFAOYSA-N -1 3 378.393 0.261 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000826235092 608251683 /nfs/dbraw/zinc/25/16/83/608251683.db2.gz BLGJJCFEIYJIAZ-WTWVRAIASA-N -1 3 380.412 0.254 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000826235092 608251684 /nfs/dbraw/zinc/25/16/84/608251684.db2.gz BLGJJCFEIYJIAZ-WTWVRAIASA-N -1 3 380.412 0.254 20 50 GCGDHM O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826441657 608259585 /nfs/dbraw/zinc/25/95/85/608259585.db2.gz OCMGVBKKXTVUTD-UHFFFAOYSA-N -1 3 399.798 0.598 20 50 GCGDHM O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826441657 608259586 /nfs/dbraw/zinc/25/95/86/608259586.db2.gz OCMGVBKKXTVUTD-UHFFFAOYSA-N -1 3 399.798 0.598 20 50 GCGDHM COCCCOCCN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826156765 608336449 /nfs/dbraw/zinc/33/64/49/608336449.db2.gz SJRVBFRSQHESMH-GDNBJRDFSA-N -1 3 387.444 0.932 20 50 GCGDHM COCCCOCCN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826156765 608336450 /nfs/dbraw/zinc/33/64/50/608336450.db2.gz SJRVBFRSQHESMH-GDNBJRDFSA-N -1 3 387.444 0.932 20 50 GCGDHM CS[C@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826225158 608371861 /nfs/dbraw/zinc/37/18/61/608371861.db2.gz VGALELAKOAHYMM-SECBINFHSA-N -1 3 378.414 0.313 20 50 GCGDHM CS[C@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826225158 608371862 /nfs/dbraw/zinc/37/18/62/608371862.db2.gz VGALELAKOAHYMM-SECBINFHSA-N -1 3 378.414 0.313 20 50 GCGDHM CCc1cccnc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825728056 608380281 /nfs/dbraw/zinc/38/02/81/608380281.db2.gz GXPSBFLXXYKFAK-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM CCc1cccnc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825728056 608380283 /nfs/dbraw/zinc/38/02/83/608380283.db2.gz GXPSBFLXXYKFAK-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM CCc1cccnc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825727912 608380552 /nfs/dbraw/zinc/38/05/52/608380552.db2.gz DLOHAINFLVYFTJ-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM CCc1cccnc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825727912 608380555 /nfs/dbraw/zinc/38/05/55/608380555.db2.gz DLOHAINFLVYFTJ-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444873 608412912 /nfs/dbraw/zinc/41/29/12/608412912.db2.gz XYTZPKAUTIYVMM-ZDUSSCGKSA-N -1 3 381.400 0.824 20 50 GCGDHM CN(CCc1ccccn1)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825946125 608455641 /nfs/dbraw/zinc/45/56/41/608455641.db2.gz KCTKWLODSAXGMY-UHFFFAOYSA-N -1 3 380.412 0.197 20 50 GCGDHM CN(CCc1ccccn1)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825946125 608455642 /nfs/dbraw/zinc/45/56/42/608455642.db2.gz KCTKWLODSAXGMY-UHFFFAOYSA-N -1 3 380.412 0.197 20 50 GCGDHM CC[C@@H](SC)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825158950 608458126 /nfs/dbraw/zinc/45/81/26/608458126.db2.gz FMUUIKOPCBPOJJ-LLVKDONJSA-N -1 3 378.414 0.313 20 50 GCGDHM CC[C@@H](SC)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825158950 608458127 /nfs/dbraw/zinc/45/81/27/608458127.db2.gz FMUUIKOPCBPOJJ-LLVKDONJSA-N -1 3 378.414 0.313 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(CCC(N)=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000826235529 608491458 /nfs/dbraw/zinc/49/14/58/608491458.db2.gz LMCUGGZGLPFPCM-OQLLNIDSSA-N -1 3 396.455 0.925 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(CCC(N)=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235529 608491460 /nfs/dbraw/zinc/49/14/60/608491460.db2.gz LMCUGGZGLPFPCM-OQLLNIDSSA-N -1 3 396.455 0.925 20 50 GCGDHM CC[C@@H](CSC)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825125178 608537832 /nfs/dbraw/zinc/53/78/32/608537832.db2.gz BAIJTXKTNSCDAF-NSHDSACASA-N -1 3 379.446 0.718 20 50 GCGDHM CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826145529 608538292 /nfs/dbraw/zinc/53/82/92/608538292.db2.gz IETBNIOKXPHAES-WCQYABFASA-N -1 3 389.416 0.391 20 50 GCGDHM CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826145529 608538293 /nfs/dbraw/zinc/53/82/93/608538293.db2.gz IETBNIOKXPHAES-WCQYABFASA-N -1 3 389.416 0.391 20 50 GCGDHM O=C(CN1CCc2cc(F)ccc2C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411787 608594166 /nfs/dbraw/zinc/59/41/66/608594166.db2.gz NNXLQEOTOPTZJX-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM O=C(CN1CCc2cc(F)ccc2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411787 608594168 /nfs/dbraw/zinc/59/41/68/608594168.db2.gz NNXLQEOTOPTZJX-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cnn(CCN2CCOCC2)c1 ZINC000826448250 608816163 /nfs/dbraw/zinc/81/61/63/608816163.db2.gz NYMIMDJTPSCUEI-UHFFFAOYSA-N -1 3 398.431 0.544 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cnn(CCN2CCOCC2)c1 ZINC000826448250 608816166 /nfs/dbraw/zinc/81/61/66/608816166.db2.gz NYMIMDJTPSCUEI-UHFFFAOYSA-N -1 3 398.431 0.544 20 50 GCGDHM CO[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826166612 609164560 /nfs/dbraw/zinc/16/45/60/609164560.db2.gz SQRYBMJAJXJZTA-MRXNPFEDSA-N -1 3 382.380 0.781 20 50 GCGDHM O=C(NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000826444770 609189745 /nfs/dbraw/zinc/18/97/45/609189745.db2.gz TWEAYFSRKJLQTF-OAHLLOKOSA-N -1 3 396.363 0.133 20 50 GCGDHM CS(=O)(=O)c1ccccc1NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223931 609251578 /nfs/dbraw/zinc/25/15/78/609251578.db2.gz GXXRQLXIBAGPON-CQSZACIVSA-N -1 3 388.409 0.447 20 50 GCGDHM CS(=O)(=O)c1ccccc1NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223931 609251581 /nfs/dbraw/zinc/25/15/81/609251581.db2.gz GXXRQLXIBAGPON-CQSZACIVSA-N -1 3 388.409 0.447 20 50 GCGDHM CCO/C=C(\C#N)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825582304 609265889 /nfs/dbraw/zinc/26/58/89/609265889.db2.gz JELYSAQQPGXNJU-HFBDAHEESA-N -1 3 381.396 0.922 20 50 GCGDHM CCO/C=C(\C#N)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825582304 609265890 /nfs/dbraw/zinc/26/58/90/609265890.db2.gz JELYSAQQPGXNJU-HFBDAHEESA-N -1 3 381.396 0.922 20 50 GCGDHM CCc1cnccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825735278 609293836 /nfs/dbraw/zinc/29/38/36/609293836.db2.gz OEFYBHHMLCNCMG-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM CCc1cnccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825735278 609293845 /nfs/dbraw/zinc/29/38/45/609293845.db2.gz OEFYBHHMLCNCMG-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nnc(C3CC3)n2C)cc(-c2nnn[n-]2)n1C ZINC000826235126 609297079 /nfs/dbraw/zinc/29/70/79/609297079.db2.gz CDVQKEIQYJHKGB-AWNIVKPZSA-N -1 3 392.427 0.743 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nnc(C3CC3)n2C)cc(-c2nn[n-]n2)n1C ZINC000826235126 609297081 /nfs/dbraw/zinc/29/70/81/609297081.db2.gz CDVQKEIQYJHKGB-AWNIVKPZSA-N -1 3 392.427 0.743 20 50 GCGDHM Cn1cc(C=NNC(=O)N2CCOCC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359383 609304832 /nfs/dbraw/zinc/30/48/32/609304832.db2.gz FKYOZCWMNVBBTK-UHFFFAOYSA-N -1 3 381.400 0.643 20 50 GCGDHM Cn1cc(C=NNC(=O)N2CCOCC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359383 609304834 /nfs/dbraw/zinc/30/48/34/609304834.db2.gz FKYOZCWMNVBBTK-UHFFFAOYSA-N -1 3 381.400 0.643 20 50 GCGDHM Cn1cc(C=NNC(=O)[C@H]2COCCO2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359380 609306810 /nfs/dbraw/zinc/30/68/10/609306810.db2.gz FIJXXQVPIYOZHR-CQSZACIVSA-N -1 3 382.384 0.133 20 50 GCGDHM Cn1cc(C=NNC(=O)[C@H]2COCCO2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359380 609306813 /nfs/dbraw/zinc/30/68/13/609306813.db2.gz FIJXXQVPIYOZHR-CQSZACIVSA-N -1 3 382.384 0.133 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824109441 609397967 /nfs/dbraw/zinc/39/79/67/609397967.db2.gz QJZPPJCZTVANJJ-UHFFFAOYSA-N -1 3 375.389 0.081 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824109441 609397969 /nfs/dbraw/zinc/39/79/69/609397969.db2.gz QJZPPJCZTVANJJ-UHFFFAOYSA-N -1 3 375.389 0.081 20 50 GCGDHM CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825643787 609410578 /nfs/dbraw/zinc/41/05/78/609410578.db2.gz UYMKGHFGSBRSOJ-JTQLQIEISA-N -1 3 385.384 0.822 20 50 GCGDHM CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825643787 609410579 /nfs/dbraw/zinc/41/05/79/609410579.db2.gz UYMKGHFGSBRSOJ-JTQLQIEISA-N -1 3 385.384 0.822 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824108694 609438457 /nfs/dbraw/zinc/43/84/57/609438457.db2.gz IUXDTFTYCSAWDH-UHFFFAOYSA-N -1 3 390.404 0.222 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824108694 609438458 /nfs/dbraw/zinc/43/84/58/609438458.db2.gz IUXDTFTYCSAWDH-UHFFFAOYSA-N -1 3 390.404 0.222 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)c1ccc(F)cc1 ZINC000826445130 609444792 /nfs/dbraw/zinc/44/47/92/609444792.db2.gz IBTPNOGOLCQUHB-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)c1ccc(F)cc1 ZINC000826445130 609444795 /nfs/dbraw/zinc/44/47/95/609444795.db2.gz IBTPNOGOLCQUHB-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000826444991 609445090 /nfs/dbraw/zinc/44/50/90/609445090.db2.gz BSWFFPIVUPUSMY-OAHLLOKOSA-N -1 3 399.386 0.553 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000826444991 609445092 /nfs/dbraw/zinc/44/50/92/609445092.db2.gz BSWFFPIVUPUSMY-OAHLLOKOSA-N -1 3 399.386 0.553 20 50 GCGDHM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824772649 609445823 /nfs/dbraw/zinc/44/58/23/609445823.db2.gz WLYSPQUWPFXUMS-LRDDRELGSA-N -1 3 395.423 0.975 20 50 GCGDHM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824772649 609445824 /nfs/dbraw/zinc/44/58/24/609445824.db2.gz WLYSPQUWPFXUMS-LRDDRELGSA-N -1 3 395.423 0.975 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H](CO)Cc1ccc(F)cc1 ZINC000826445073 609446949 /nfs/dbraw/zinc/44/69/49/609446949.db2.gz GBEQCJQNMBSKLN-HNNXBMFYSA-N -1 3 399.386 0.553 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H](CO)Cc1ccc(F)cc1 ZINC000826445073 609446950 /nfs/dbraw/zinc/44/69/50/609446950.db2.gz GBEQCJQNMBSKLN-HNNXBMFYSA-N -1 3 399.386 0.553 20 50 GCGDHM COC(=O)CNC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826138481 609523342 /nfs/dbraw/zinc/52/33/42/609523342.db2.gz WOLXDZQBGCFHGK-UHFFFAOYSA-N -1 3 383.372 0.073 20 50 GCGDHM COC(=O)CNC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826138481 609523344 /nfs/dbraw/zinc/52/33/44/609523344.db2.gz WOLXDZQBGCFHGK-UHFFFAOYSA-N -1 3 383.372 0.073 20 50 GCGDHM O=C(CN1CCC([C@@H]2CCOC2)CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826410432 609608291 /nfs/dbraw/zinc/60/82/91/609608291.db2.gz NAEPDTGYYYTNGI-MRXNPFEDSA-N -1 3 399.455 0.376 20 50 GCGDHM Cc1n[nH]cc1C(=O)NNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737453307 945070331 /nfs/dbraw/zinc/07/03/31/945070331.db2.gz POSNUBNYHTYHJN-UHFFFAOYSA-N -1 3 381.356 0.665 20 50 GCGDHM Cc1nn(C)c(C)c1CN(C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737511881 945086676 /nfs/dbraw/zinc/08/66/76/945086676.db2.gz VLRYDNWXMYJYME-UHFFFAOYSA-N -1 3 383.416 0.703 20 50 GCGDHM Cc1nn(C)c(C)c1CN(C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737511881 945086682 /nfs/dbraw/zinc/08/66/82/945086682.db2.gz VLRYDNWXMYJYME-UHFFFAOYSA-N -1 3 383.416 0.703 20 50 GCGDHM Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737513642 945089169 /nfs/dbraw/zinc/08/91/69/945089169.db2.gz RDYMQQXGMRVYRM-JTQLQIEISA-N -1 3 399.415 0.379 20 50 GCGDHM Cc1nnc2ccc(C(=O)NNC(=O)COc3ccc(-c4nn[n-]n4)cc3)cn12 ZINC000737535133 945091195 /nfs/dbraw/zinc/09/11/95/945091195.db2.gz ZRYBZQPTCWRACD-UHFFFAOYSA-N -1 3 393.367 0.058 20 50 GCGDHM Cn1cc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(-c2ccncc2)n1 ZINC000737601792 945100224 /nfs/dbraw/zinc/10/02/24/945100224.db2.gz FDFHVNAVPGGBPW-UHFFFAOYSA-N -1 3 389.379 0.737 20 50 GCGDHM Cn1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(-c2ccncc2)n1 ZINC000737601792 945100234 /nfs/dbraw/zinc/10/02/34/945100234.db2.gz FDFHVNAVPGGBPW-UHFFFAOYSA-N -1 3 389.379 0.737 20 50 GCGDHM Cn1cc(N2CC[C@H](NC(=O)NNc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737611233 945101693 /nfs/dbraw/zinc/10/16/93/945101693.db2.gz SZFATNDYEMGSAJ-ZDUSSCGKSA-N -1 3 382.388 0.032 20 50 GCGDHM Cn1cc(N2CC[C@H](NC(=O)NNc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737611233 945101699 /nfs/dbraw/zinc/10/16/99/945101699.db2.gz SZFATNDYEMGSAJ-ZDUSSCGKSA-N -1 3 382.388 0.032 20 50 GCGDHM N#Cc1ccc2ncc(C=NNC(=O)COc3ccc(-c4nn[n-]n4)cc3)n2c1 ZINC000737722454 945116260 /nfs/dbraw/zinc/11/62/60/945116260.db2.gz JNUSJXLPNVOKSJ-UHFFFAOYSA-N -1 3 387.363 0.915 20 50 GCGDHM N#Cc1ccnc(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737727583 945118667 /nfs/dbraw/zinc/11/86/67/945118667.db2.gz ORMHIWSCTPYFND-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1ccnc(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737727583 945118672 /nfs/dbraw/zinc/11/86/72/945118672.db2.gz ORMHIWSCTPYFND-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM NC(=O)[C@H](NNC(=O)Cn1ccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736393 945118741 /nfs/dbraw/zinc/11/87/41/945118741.db2.gz JDGFHFZIONGCFQ-QGZVFWFLSA-N -1 3 390.407 0.669 20 50 GCGDHM NC(=O)[C@H](NNC(=O)Cn1ccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736393 945118747 /nfs/dbraw/zinc/11/87/47/945118747.db2.gz JDGFHFZIONGCFQ-QGZVFWFLSA-N -1 3 390.407 0.669 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000737736908 945120909 /nfs/dbraw/zinc/12/09/09/945120909.db2.gz MTYNJAVDKWPQNS-HNNXBMFYSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000737736908 945120910 /nfs/dbraw/zinc/12/09/10/945120910.db2.gz MTYNJAVDKWPQNS-HNNXBMFYSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)COc1cccc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737754452 945123175 /nfs/dbraw/zinc/12/31/75/945123175.db2.gz UVDGZOFNVAAQSJ-UHFFFAOYSA-N -1 3 396.367 0.197 20 50 GCGDHM NC(=O)COc1cccc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737754452 945123178 /nfs/dbraw/zinc/12/31/78/945123178.db2.gz UVDGZOFNVAAQSJ-UHFFFAOYSA-N -1 3 396.367 0.197 20 50 GCGDHM O=C(C=Cc1cncc(F)c1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737807584 945129208 /nfs/dbraw/zinc/12/92/08/945129208.db2.gz PPGSGBAKAQLNOI-LZCJLJQNSA-N -1 3 383.343 0.640 20 50 GCGDHM O=C(CCNC(=O)c1ccc(F)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737848394 945137257 /nfs/dbraw/zinc/13/72/57/945137257.db2.gz YIIOLOIYWCUTQC-UHFFFAOYSA-N -1 3 397.370 0.587 20 50 GCGDHM O=C(CCNC(=O)c1ccc(F)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737848394 945137263 /nfs/dbraw/zinc/13/72/63/945137263.db2.gz YIIOLOIYWCUTQC-UHFFFAOYSA-N -1 3 397.370 0.587 20 50 GCGDHM O=C(CN1C(=O)CCc2ccccc21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737879580 945142359 /nfs/dbraw/zinc/14/23/59/945142359.db2.gz UVMBGCSXWHWSPP-UHFFFAOYSA-N -1 3 391.391 0.607 20 50 GCGDHM O=C(CN1C(=O)CCc2ccccc21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737879580 945142362 /nfs/dbraw/zinc/14/23/62/945142362.db2.gz UVMBGCSXWHWSPP-UHFFFAOYSA-N -1 3 391.391 0.607 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNC(=O)c1cccc(Cl)c1 ZINC000737890200 945146788 /nfs/dbraw/zinc/14/67/88/945146788.db2.gz VYAWKHCVOICCDD-UHFFFAOYSA-N -1 3 399.798 0.711 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1cccc(Cl)c1 ZINC000737890200 945146790 /nfs/dbraw/zinc/14/67/90/945146790.db2.gz VYAWKHCVOICCDD-UHFFFAOYSA-N -1 3 399.798 0.711 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNC(=O)NC1CCCCC1 ZINC000737890834 945146867 /nfs/dbraw/zinc/14/68/67/945146867.db2.gz YZJUAEBNWOEZBS-UHFFFAOYSA-N -1 3 386.416 0.260 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNC(=O)NC1CCCCC1 ZINC000737890834 945146874 /nfs/dbraw/zinc/14/68/74/945146874.db2.gz YZJUAEBNWOEZBS-UHFFFAOYSA-N -1 3 386.416 0.260 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000737918785 945152533 /nfs/dbraw/zinc/15/25/33/945152533.db2.gz LECZIZQIGRJWFD-HNNXBMFYSA-N -1 3 398.354 0.536 20 50 GCGDHM O=C(COc1ccccc1O)NNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737930841 945158440 /nfs/dbraw/zinc/15/84/40/945158440.db2.gz SDEDGCMYIILAQG-UHFFFAOYSA-N -1 3 383.368 0.482 20 50 GCGDHM O=C(COc1ccccc1O)NNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737930841 945158443 /nfs/dbraw/zinc/15/84/43/945158443.db2.gz SDEDGCMYIILAQG-UHFFFAOYSA-N -1 3 383.368 0.482 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000737932278 945159666 /nfs/dbraw/zinc/15/96/66/945159666.db2.gz WJHFAUAXNZODLB-HNNXBMFYSA-N -1 3 380.364 0.397 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000737932278 945159669 /nfs/dbraw/zinc/15/96/69/945159669.db2.gz WJHFAUAXNZODLB-HNNXBMFYSA-N -1 3 380.364 0.397 20 50 GCGDHM O=C(Cc1cnn(-c2ccccc2)n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737974727 945168668 /nfs/dbraw/zinc/16/86/68/945168668.db2.gz HOSPSBAEFNEWGI-UHFFFAOYSA-N -1 3 389.379 0.451 20 50 GCGDHM O=C(Cc1cnn(-c2ccccc2)n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737974727 945168676 /nfs/dbraw/zinc/16/86/76/945168676.db2.gz HOSPSBAEFNEWGI-UHFFFAOYSA-N -1 3 389.379 0.451 20 50 GCGDHM O=C(Cc1cccnc1)NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737975358 945171358 /nfs/dbraw/zinc/17/13/58/945171358.db2.gz ZEKIXMHYJYYYAR-INIZCTEOSA-N -1 3 392.423 0.621 20 50 GCGDHM O=C(NC[C@@H](O)Cc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738039906 945174601 /nfs/dbraw/zinc/17/46/01/945174601.db2.gz NURCGQMEKVJCDV-HNNXBMFYSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NC[C@@H](O)Cc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738039906 945174607 /nfs/dbraw/zinc/17/46/07/945174607.db2.gz NURCGQMEKVJCDV-HNNXBMFYSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NC[C@H](CCO)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738041250 945175227 /nfs/dbraw/zinc/17/52/27/945175227.db2.gz YVWFNOWLNDGYKS-INIZCTEOSA-N -1 3 395.423 0.977 20 50 GCGDHM O=C(NC[C@H](CCO)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738041250 945175232 /nfs/dbraw/zinc/17/52/32/945175232.db2.gz YVWFNOWLNDGYKS-INIZCTEOSA-N -1 3 395.423 0.977 20 50 GCGDHM O=C(NC[C@H]1COc2ccccc2O1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738053729 945178164 /nfs/dbraw/zinc/17/81/64/945178164.db2.gz YWGSGZLTPXNDMT-ZDUSSCGKSA-N -1 3 395.379 0.651 20 50 GCGDHM O=C(NC[C@H]1COc2ccccc2O1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738053729 945178168 /nfs/dbraw/zinc/17/81/68/945178168.db2.gz YWGSGZLTPXNDMT-ZDUSSCGKSA-N -1 3 395.379 0.651 20 50 GCGDHM O=C(NCCNC(=O)C1N=CC=CC1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000738074166 945180245 /nfs/dbraw/zinc/18/02/45/945180245.db2.gz HNZAHHUTTSDKNE-FYWRMAATSA-N -1 3 383.372 0.019 20 50 GCGDHM O=C(NCCS(=O)(=O)NCC1CCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000738086004 945184897 /nfs/dbraw/zinc/18/48/97/945184897.db2.gz RJBJQDAGMFLFTO-UHFFFAOYSA-N -1 3 394.461 0.212 20 50 GCGDHM O=C(NCCS(=O)(=O)NCC1CCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000738086004 945184903 /nfs/dbraw/zinc/18/49/03/945184903.db2.gz RJBJQDAGMFLFTO-UHFFFAOYSA-N -1 3 394.461 0.212 20 50 GCGDHM O=C(NCCc1ccc2c(c1)CCO2)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738088050 945185356 /nfs/dbraw/zinc/18/53/56/945185356.db2.gz OBZWENFVZOUVBX-UHFFFAOYSA-N -1 3 393.407 0.988 20 50 GCGDHM O=C(NCCc1ccc2c(c1)CCO2)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738088050 945185362 /nfs/dbraw/zinc/18/53/62/945185362.db2.gz OBZWENFVZOUVBX-UHFFFAOYSA-N -1 3 393.407 0.988 20 50 GCGDHM O=C(NCc1cn2c(n1)CCCC2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738125309 945194698 /nfs/dbraw/zinc/19/46/98/945194698.db2.gz YNCBTFJUERGAQP-UHFFFAOYSA-N -1 3 381.400 0.544 20 50 GCGDHM O=C(NCc1cn2c(n1)CCCC2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738125309 945194701 /nfs/dbraw/zinc/19/47/01/945194701.db2.gz YNCBTFJUERGAQP-UHFFFAOYSA-N -1 3 381.400 0.544 20 50 GCGDHM O=C(NCc1ccco1)NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738124683 945194892 /nfs/dbraw/zinc/19/48/92/945194892.db2.gz VJEXPDXBRZPWBR-OAHLLOKOSA-N -1 3 396.411 0.959 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129693 945205036 /nfs/dbraw/zinc/20/50/36/945205036.db2.gz HNFIFYSQAZEFQQ-JTQLQIEISA-N -1 3 397.317 0.039 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129693 945205045 /nfs/dbraw/zinc/20/50/45/945205045.db2.gz HNFIFYSQAZEFQQ-JTQLQIEISA-N -1 3 397.317 0.039 20 50 GCGDHM O=C(NNC(=O)c1cccc(-n2cncn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134690 945220367 /nfs/dbraw/zinc/22/03/67/945220367.db2.gz QSRBDCNTXRPNAO-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(-n2cncn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134690 945220376 /nfs/dbraw/zinc/22/03/76/945220376.db2.gz QSRBDCNTXRPNAO-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1COc2ccccc2C1 ZINC000738136149 945230313 /nfs/dbraw/zinc/23/03/13/945230313.db2.gz FXYYCOAGEIUKMD-CQSZACIVSA-N -1 3 379.380 0.814 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1COc2ccccc2C1 ZINC000738136149 945230321 /nfs/dbraw/zinc/23/03/21/945230321.db2.gz FXYYCOAGEIUKMD-CQSZACIVSA-N -1 3 379.380 0.814 20 50 GCGDHM O=C(NNC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738137734 945247085 /nfs/dbraw/zinc/24/70/85/945247085.db2.gz ZBVJVKUXEPBFMQ-UHFFFAOYSA-N -1 3 393.363 0.561 20 50 GCGDHM O=C(NNC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738137734 945247094 /nfs/dbraw/zinc/24/70/94/945247094.db2.gz ZBVJVKUXEPBFMQ-UHFFFAOYSA-N -1 3 393.363 0.561 20 50 GCGDHM CC(=NNC(=O)[C@H]1COCCO1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819773881 945290365 /nfs/dbraw/zinc/29/03/65/945290365.db2.gz WOUMFFOYSJXOOR-MRXNPFEDSA-N -1 3 396.411 0.616 20 50 GCGDHM CC(=O)Nc1cncc(C(=O)NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000819827003 945296442 /nfs/dbraw/zinc/29/64/42/945296442.db2.gz OQDJCGDMPBLODV-UHFFFAOYSA-N -1 3 390.367 0.632 20 50 GCGDHM CC(=O)Nc1cncc(C(=O)NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000819827003 945296451 /nfs/dbraw/zinc/29/64/51/945296451.db2.gz OQDJCGDMPBLODV-UHFFFAOYSA-N -1 3 390.367 0.632 20 50 GCGDHM CC(C)(CO)CCCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000819983751 945321035 /nfs/dbraw/zinc/32/10/35/945321035.db2.gz DOLMWRLBRHGIAX-UHFFFAOYSA-N -1 3 391.432 0.375 20 50 GCGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)N1CCOCC1 ZINC000820001017 945324682 /nfs/dbraw/zinc/32/46/82/945324682.db2.gz BFGMVSOTIIWWPU-UHFFFAOYSA-N -1 3 375.389 0.097 20 50 GCGDHM CC(C)CO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820096702 945350001 /nfs/dbraw/zinc/35/00/01/945350001.db2.gz FVSYKTPRSUZNGH-NSHDSACASA-N -1 3 390.400 0.232 20 50 GCGDHM CC(C)CO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820096702 945350013 /nfs/dbraw/zinc/35/00/13/945350013.db2.gz FVSYKTPRSUZNGH-NSHDSACASA-N -1 3 390.400 0.232 20 50 GCGDHM CC(C)(C)OC(=O)N1CC(=NNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000735622906 944681850 /nfs/dbraw/zinc/68/18/50/944681850.db2.gz AZYSGMJVFXSRKY-UHFFFAOYSA-N -1 3 387.400 0.968 20 50 GCGDHM CC(C)(C)OC(=O)N1CC(=NNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000735622906 944681859 /nfs/dbraw/zinc/68/18/59/944681859.db2.gz AZYSGMJVFXSRKY-UHFFFAOYSA-N -1 3 387.400 0.968 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=S)NCC1CCC1 ZINC000736184534 944755737 /nfs/dbraw/zinc/75/57/37/944755737.db2.gz LMARKULFURCBBL-SNVBAGLBSA-N -1 3 375.458 0.929 20 50 GCGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=S)NCC1CCC1 ZINC000736184534 944755746 /nfs/dbraw/zinc/75/57/46/944755746.db2.gz LMARKULFURCBBL-SNVBAGLBSA-N -1 3 375.458 0.929 20 50 GCGDHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736226858 944768922 /nfs/dbraw/zinc/76/89/22/944768922.db2.gz IUKKKPPZVGAWGK-PHIMTYICSA-N -1 3 379.446 0.324 20 50 GCGDHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736226858 944768932 /nfs/dbraw/zinc/76/89/32/944768932.db2.gz IUKKKPPZVGAWGK-PHIMTYICSA-N -1 3 379.446 0.324 20 50 GCGDHM C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)NC1=O ZINC000736300700 944791047 /nfs/dbraw/zinc/79/10/47/944791047.db2.gz DUWADBGEKIYJED-VIFPVBQESA-N -1 3 393.363 0.661 20 50 GCGDHM CCC(=O)NNC(=O)[C@H](C)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736303037 944791759 /nfs/dbraw/zinc/79/17/59/944791759.db2.gz JMXCCDFYBLASOU-LBPRGKRZSA-N -1 3 387.444 0.656 20 50 GCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736304837 944793561 /nfs/dbraw/zinc/79/35/61/944793561.db2.gz RBDOKQQFBOKOKH-CYBMUJFWSA-N -1 3 386.460 0.325 20 50 GCGDHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736320623 944800165 /nfs/dbraw/zinc/80/01/65/944800165.db2.gz VMDOHYLDQOZMDQ-DOMZBBRYSA-N -1 3 399.455 0.912 20 50 GCGDHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736320623 944800170 /nfs/dbraw/zinc/80/01/70/944800170.db2.gz VMDOHYLDQOZMDQ-DOMZBBRYSA-N -1 3 399.455 0.912 20 50 GCGDHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736320629 944800180 /nfs/dbraw/zinc/80/01/80/944800180.db2.gz VMDOHYLDQOZMDQ-WFASDCNBSA-N -1 3 399.455 0.912 20 50 GCGDHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736320629 944800183 /nfs/dbraw/zinc/80/01/83/944800183.db2.gz VMDOHYLDQOZMDQ-WFASDCNBSA-N -1 3 399.455 0.912 20 50 GCGDHM CC[C@H](O)CN1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000736381527 944812994 /nfs/dbraw/zinc/81/29/94/944812994.db2.gz IJDANNKHTZNVMM-LRQZKABGSA-N -1 3 398.471 0.336 20 50 GCGDHM CCOC(=O)C1(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000736591894 944851286 /nfs/dbraw/zinc/85/12/86/944851286.db2.gz YATUSDVMUZBANA-UHFFFAOYSA-N -1 3 387.400 0.544 20 50 GCGDHM CCOC(=O)C1(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000736591894 944851293 /nfs/dbraw/zinc/85/12/93/944851293.db2.gz YATUSDVMUZBANA-UHFFFAOYSA-N -1 3 387.400 0.544 20 50 GCGDHM CCc1nnc2n1CCN(C(=O)C(C#N)=Cc1cc(-c3nnn[n-]3)n(C)c1C)C2 ZINC000736710250 944877365 /nfs/dbraw/zinc/87/73/65/944877365.db2.gz GKWWZQQETUDVGX-NTUHNPAUSA-N -1 3 392.427 0.617 20 50 GCGDHM CCc1nnc2n1CCN(C(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)C2 ZINC000736710250 944877368 /nfs/dbraw/zinc/87/73/68/944877368.db2.gz GKWWZQQETUDVGX-NTUHNPAUSA-N -1 3 392.427 0.617 20 50 GCGDHM CCn1c(C)nnc1SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736720625 944879874 /nfs/dbraw/zinc/87/98/74/944879874.db2.gz VCKVVJCZWYTXCX-UHFFFAOYSA-N -1 3 387.429 0.340 20 50 GCGDHM CCn1c(C)nnc1SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736720625 944879879 /nfs/dbraw/zinc/87/98/79/944879879.db2.gz VCKVVJCZWYTXCX-UHFFFAOYSA-N -1 3 387.429 0.340 20 50 GCGDHM CN(C)C(=O)N1CCC(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736750888 944884018 /nfs/dbraw/zinc/88/40/18/944884018.db2.gz FEQMFNJIJATPFQ-UHFFFAOYSA-N -1 3 386.416 0.021 20 50 GCGDHM CN(C)C(=O)N1CCC(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736750888 944884024 /nfs/dbraw/zinc/88/40/24/944884024.db2.gz FEQMFNJIJATPFQ-UHFFFAOYSA-N -1 3 386.416 0.021 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)c1cccs1 ZINC000736783474 944891808 /nfs/dbraw/zinc/89/18/08/944891808.db2.gz JZGBSAKPBIDMOS-UHFFFAOYSA-N -1 3 385.409 0.461 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)c1cccs1 ZINC000736783474 944891814 /nfs/dbraw/zinc/89/18/14/944891814.db2.gz JZGBSAKPBIDMOS-UHFFFAOYSA-N -1 3 385.409 0.461 20 50 GCGDHM CNC(=O)[C@@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736872041 944903896 /nfs/dbraw/zinc/90/38/96/944903896.db2.gz WAHMKUAPWXMYQP-CWZJEYLYSA-N -1 3 382.428 0.405 20 50 GCGDHM CNC(=O)[C@@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736872041 944903906 /nfs/dbraw/zinc/90/39/06/944903906.db2.gz WAHMKUAPWXMYQP-CWZJEYLYSA-N -1 3 382.428 0.405 20 50 GCGDHM CNS(=O)(=O)c1cccc(C(C)=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736888155 944905470 /nfs/dbraw/zinc/90/54/70/944905470.db2.gz UMGYOSRODJIFDE-UHFFFAOYSA-N -1 3 399.436 0.929 20 50 GCGDHM CNS(=O)(=O)c1cccc(C(C)=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736888155 944905476 /nfs/dbraw/zinc/90/54/76/944905476.db2.gz UMGYOSRODJIFDE-UHFFFAOYSA-N -1 3 399.436 0.929 20 50 GCGDHM COC(=O)CCCCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736912774 944911652 /nfs/dbraw/zinc/91/16/52/944911652.db2.gz VKSCBQDCPKTDIR-UHFFFAOYSA-N -1 3 375.389 0.544 20 50 GCGDHM COC(=O)CCCCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736912774 944911662 /nfs/dbraw/zinc/91/16/62/944911662.db2.gz VKSCBQDCPKTDIR-UHFFFAOYSA-N -1 3 375.389 0.544 20 50 GCGDHM COC(=O)[C@@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736912133 944912876 /nfs/dbraw/zinc/91/28/76/944912876.db2.gz ZBIYOUWIHPSOCM-CWZJEYLYSA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)[C@@H]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736912133 944912883 /nfs/dbraw/zinc/91/28/83/944912883.db2.gz ZBIYOUWIHPSOCM-CWZJEYLYSA-N -1 3 383.412 0.832 20 50 GCGDHM COCCn1ccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000737016197 944934049 /nfs/dbraw/zinc/93/40/49/944934049.db2.gz KOMNUEMCECUWLD-JYRVWZFOSA-N -1 3 381.400 0.902 20 50 GCGDHM COc1ccccc1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000737024034 944934862 /nfs/dbraw/zinc/93/48/62/944934862.db2.gz QMINNFXHLKIKLS-UHFFFAOYSA-N -1 3 398.379 0.724 20 50 GCGDHM COc1cc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc2c1OCCO2 ZINC000737040131 944937714 /nfs/dbraw/zinc/93/77/14/944937714.db2.gz FBOGNVRZPNXSJY-UHFFFAOYSA-N -1 3 396.363 0.721 20 50 GCGDHM COc1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc2c1OCCO2 ZINC000737040131 944937716 /nfs/dbraw/zinc/93/77/16/944937716.db2.gz FBOGNVRZPNXSJY-UHFFFAOYSA-N -1 3 396.363 0.721 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)COc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000737068792 944942848 /nfs/dbraw/zinc/94/28/48/944942848.db2.gz URLKSWJRKBNASM-UHFFFAOYSA-N -1 3 398.379 0.724 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)COc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000737068792 944942854 /nfs/dbraw/zinc/94/28/54/944942854.db2.gz URLKSWJRKBNASM-UHFFFAOYSA-N -1 3 398.379 0.724 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737071165 944944248 /nfs/dbraw/zinc/94/42/48/944944248.db2.gz FIHZESDTGZZABA-UHFFFAOYSA-N -1 3 383.324 0.858 20 50 GCGDHM COc1cccc([C@H](O)CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737129072 944963033 /nfs/dbraw/zinc/96/30/33/944963033.db2.gz QEFIKQNBVXYOLV-OAHLLOKOSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1cccc([C@H](O)CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737129072 944963042 /nfs/dbraw/zinc/96/30/42/944963042.db2.gz QEFIKQNBVXYOLV-OAHLLOKOSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1cccc([C@H](O)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737130798 944964502 /nfs/dbraw/zinc/96/45/02/944964502.db2.gz YGXGHHKRXFRXLF-OAHLLOKOSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1cccc([C@H](O)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737130798 944964504 /nfs/dbraw/zinc/96/45/04/944964504.db2.gz YGXGHHKRXFRXLF-OAHLLOKOSA-N -1 3 397.395 0.553 20 50 GCGDHM CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737161856 944971980 /nfs/dbraw/zinc/97/19/80/944971980.db2.gz MQNLEADADSGJFV-CQSZACIVSA-N -1 3 392.441 0.705 20 50 GCGDHM CSCC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737180690 944976153 /nfs/dbraw/zinc/97/61/53/944976153.db2.gz HQSYXCKNAFSZQH-SNVBAGLBSA-N -1 3 379.446 0.718 20 50 GCGDHM CSCC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737180690 944976158 /nfs/dbraw/zinc/97/61/58/944976158.db2.gz HQSYXCKNAFSZQH-SNVBAGLBSA-N -1 3 379.446 0.718 20 50 GCGDHM CSC[C@@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737178653 944976668 /nfs/dbraw/zinc/97/66/68/944976668.db2.gz BQMCMGMKGIXVGR-SRXKAHCNSA-N -1 3 375.458 0.651 20 50 GCGDHM CSC[C@@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737178653 944976673 /nfs/dbraw/zinc/97/66/73/944976673.db2.gz BQMCMGMKGIXVGR-SRXKAHCNSA-N -1 3 375.458 0.651 20 50 GCGDHM CS(=O)(=O)c1ccccc1NNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737174159 944977109 /nfs/dbraw/zinc/97/71/09/944977109.db2.gz SIZZWVYVXSWICE-UHFFFAOYSA-N -1 3 387.425 0.825 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCc3cncnc3C2)cc(-c2nnn[n-]2)n1C ZINC000737212850 944996095 /nfs/dbraw/zinc/99/60/95/944996095.db2.gz NCKWIQLGUQFVJP-RZNTYIFUSA-N -1 3 375.396 0.796 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCc3cncnc3C2)cc(-c2nn[n-]n2)n1C ZINC000737212850 944996098 /nfs/dbraw/zinc/99/60/98/944996098.db2.gz NCKWIQLGUQFVJP-RZNTYIFUSA-N -1 3 375.396 0.796 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCS(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000737213046 944998903 /nfs/dbraw/zinc/99/89/03/944998903.db2.gz PUCXIPHFLDKEGU-KPKJPENVSA-N -1 3 378.414 0.399 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCS(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000737213046 944998913 /nfs/dbraw/zinc/99/89/13/944998913.db2.gz PUCXIPHFLDKEGU-KPKJPENVSA-N -1 3 378.414 0.399 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCN(C(C)C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000737213832 945008787 /nfs/dbraw/zinc/00/87/87/945008787.db2.gz XRHZNQFYGWNXPC-LVOZBFFPSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCN(C(C)C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000737213832 945008800 /nfs/dbraw/zinc/00/88/00/945008800.db2.gz XRHZNQFYGWNXPC-LVOZBFFPSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2nnc3n2CCC3)cc(-c2nnn[n-]2)n1C ZINC000737213840 945008912 /nfs/dbraw/zinc/00/89/12/945008912.db2.gz XRMHHYHCRUYZOT-JLATVTFTSA-N -1 3 392.427 0.836 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2nnc3n2CCC3)cc(-c2nn[n-]n2)n1C ZINC000737213840 945008922 /nfs/dbraw/zinc/00/89/22/945008922.db2.gz XRMHHYHCRUYZOT-JLATVTFTSA-N -1 3 392.427 0.836 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2nnc3n2CCC3)cc(-c2nnn[n-]2)n1C ZINC000737213842 945009312 /nfs/dbraw/zinc/00/93/12/945009312.db2.gz XRMHHYHCRUYZOT-QVASGMJFSA-N -1 3 392.427 0.836 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2nnc3n2CCC3)cc(-c2nn[n-]n2)n1C ZINC000737213842 945009322 /nfs/dbraw/zinc/00/93/22/945009322.db2.gz XRMHHYHCRUYZOT-QVASGMJFSA-N -1 3 392.427 0.836 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCCS(=O)(=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000737213860 945009770 /nfs/dbraw/zinc/00/97/70/945009770.db2.gz XUUXPMFCOHVMSR-MDWZMJQESA-N -1 3 389.441 0.068 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCCS(=O)(=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000737213860 945009781 /nfs/dbraw/zinc/00/97/81/945009781.db2.gz XUUXPMFCOHVMSR-MDWZMJQESA-N -1 3 389.441 0.068 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737236586 945016987 /nfs/dbraw/zinc/01/69/87/945016987.db2.gz OISCBLQQYIDMGO-UHFFFAOYSA-N -1 3 382.340 0.740 20 50 GCGDHM Cc1cc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000737236586 945016997 /nfs/dbraw/zinc/01/69/97/945016997.db2.gz OISCBLQQYIDMGO-UHFFFAOYSA-N -1 3 382.340 0.740 20 50 GCGDHM Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737313588 945037163 /nfs/dbraw/zinc/03/71/63/945037163.db2.gz VDSYBQJMOFVCBP-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737313588 945037173 /nfs/dbraw/zinc/03/71/73/945037173.db2.gz VDSYBQJMOFVCBP-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737355210 945046172 /nfs/dbraw/zinc/04/61/72/945046172.db2.gz CFSGHPLJCBCRIC-UHFFFAOYSA-N -1 3 380.368 0.278 20 50 GCGDHM Cc1ccc(NNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC000737362109 945048750 /nfs/dbraw/zinc/04/87/50/945048750.db2.gz NKWLDIARWSTULD-UHFFFAOYSA-N -1 3 395.431 0.655 20 50 GCGDHM Cc1ccc(NNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC000737362109 945048760 /nfs/dbraw/zinc/04/87/60/945048760.db2.gz NKWLDIARWSTULD-UHFFFAOYSA-N -1 3 395.431 0.655 20 50 GCGDHM C[C@H](CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC(=O)OC(C)(C)C ZINC000820225319 945388425 /nfs/dbraw/zinc/38/84/25/945388425.db2.gz GFHDYPDTIVAIBP-SNVBAGLBSA-N -1 3 389.416 0.931 20 50 GCGDHM C[C@H](CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC(=O)OC(C)(C)C ZINC000820225319 945388438 /nfs/dbraw/zinc/38/84/38/945388438.db2.gz GFHDYPDTIVAIBP-SNVBAGLBSA-N -1 3 389.416 0.931 20 50 GCGDHM C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820233197 945392576 /nfs/dbraw/zinc/39/25/76/945392576.db2.gz JKMGKZOSXCFVHD-NWDGAFQWSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820233197 945392581 /nfs/dbraw/zinc/39/25/81/945392581.db2.gz JKMGKZOSXCFVHD-NWDGAFQWSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820234275 945393468 /nfs/dbraw/zinc/39/34/68/945393468.db2.gz NAIQSSDVVKQVTN-VXGBXAGGSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)CC1(C)OCCO1 ZINC000820270247 945403977 /nfs/dbraw/zinc/40/39/77/945403977.db2.gz YMUDGLJQZOLUBS-NSHDSACASA-N -1 3 389.416 0.600 20 50 GCGDHM C[C@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)CC1(C)OCCO1 ZINC000820270247 945403987 /nfs/dbraw/zinc/40/39/87/945403987.db2.gz YMUDGLJQZOLUBS-NSHDSACASA-N -1 3 389.416 0.600 20 50 GCGDHM C[C@@H](NC(=O)NNc1nc(=O)c2cnn(C)c2[n-]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820372569 945431953 /nfs/dbraw/zinc/43/19/53/945431953.db2.gz AVHSDKSIZRFQON-MRVPVSSYSA-N -1 3 395.387 0.636 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nnc2n1CCCC2 ZINC000820373149 945434715 /nfs/dbraw/zinc/43/47/15/945434715.db2.gz FKLQZNNHBHQASP-SNVBAGLBSA-N -1 3 396.415 0.500 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nnc2n1CCCC2 ZINC000820373149 945434720 /nfs/dbraw/zinc/43/47/20/945434720.db2.gz FKLQZNNHBHQASP-SNVBAGLBSA-N -1 3 396.415 0.500 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NNc1ccccc1 ZINC000820447541 945453044 /nfs/dbraw/zinc/45/30/44/945453044.db2.gz ZOSZPKGOWQYLFU-LLVKDONJSA-N -1 3 387.425 0.677 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1ccccc1 ZINC000820447541 945453047 /nfs/dbraw/zinc/45/30/47/945453047.db2.gz ZOSZPKGOWQYLFU-LLVKDONJSA-N -1 3 387.425 0.677 20 50 GCGDHM C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820468040 945460591 /nfs/dbraw/zinc/46/05/91/945460591.db2.gz PRJLKOHMNBHPLQ-LJQANCHMSA-N -1 3 396.407 0.387 20 50 GCGDHM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000820528792 945474308 /nfs/dbraw/zinc/47/43/08/945474308.db2.gz OMHPDWNAYMQORR-MRVPVSSYSA-N -1 3 396.371 0.160 20 50 GCGDHM CC1(C)CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1 ZINC000820601250 945496925 /nfs/dbraw/zinc/49/69/25/945496925.db2.gz GLGPHKLJAOGWFL-UHFFFAOYSA-N -1 3 375.458 0.455 20 50 GCGDHM CC1(C)CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1 ZINC000820601250 945496932 /nfs/dbraw/zinc/49/69/32/945496932.db2.gz GLGPHKLJAOGWFL-UHFFFAOYSA-N -1 3 375.458 0.455 20 50 GCGDHM C[C@]1(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC000820618905 945502137 /nfs/dbraw/zinc/50/21/37/945502137.db2.gz SHQWTGFWZRQASB-MRXNPFEDSA-N -1 3 375.389 0.145 20 50 GCGDHM C[C@H]1C[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820659138 945514445 /nfs/dbraw/zinc/51/44/45/945514445.db2.gz WRBAQYCXTPUWBV-IINYFYTJSA-N -1 3 396.415 0.420 20 50 GCGDHM C[C@H]1C[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820659138 945514458 /nfs/dbraw/zinc/51/44/58/945514458.db2.gz WRBAQYCXTPUWBV-IINYFYTJSA-N -1 3 396.415 0.420 20 50 GCGDHM C[C@H]1CC/C(=C\C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820678881 945524423 /nfs/dbraw/zinc/52/44/23/945524423.db2.gz ZVUHFSAZMUXGSM-SERMCNLOSA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@H]1CC/C(=C\C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820678881 945524437 /nfs/dbraw/zinc/52/44/37/945524437.db2.gz ZVUHFSAZMUXGSM-SERMCNLOSA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@@H]1CC[C@@H](CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820683388 945524750 /nfs/dbraw/zinc/52/47/50/945524750.db2.gz AJJOJQRYVCOANL-VXGBXAGGSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CC[C@@H](CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820683388 945524757 /nfs/dbraw/zinc/52/47/57/945524757.db2.gz AJJOJQRYVCOANL-VXGBXAGGSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CN(CCC(=O)N[N-]C(=O)c2cc(-c3nn[nH]n3)cs2)C[C@H](C)O1 ZINC000820752308 945548889 /nfs/dbraw/zinc/54/88/89/945548889.db2.gz LRMZXAITGJSNEQ-AOOOYVTPSA-N -1 3 379.446 0.189 20 50 GCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C)S1 ZINC000820752706 945552219 /nfs/dbraw/zinc/55/22/19/945552219.db2.gz PUYLEKDUMUXKKR-QWRGUYRKSA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)S1 ZINC000820752706 945552228 /nfs/dbraw/zinc/55/22/28/945552228.db2.gz PUYLEKDUMUXKKR-QWRGUYRKSA-N -1 3 375.458 0.454 20 50 GCGDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NNC(=O)[C@H]1COCCO1 ZINC000821104618 945636449 /nfs/dbraw/zinc/63/64/49/945636449.db2.gz KILSIXAUSTYNJM-CQSZACIVSA-N -1 3 389.416 0.235 20 50 GCGDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@H]1COCCO1 ZINC000821104618 945636456 /nfs/dbraw/zinc/63/64/56/945636456.db2.gz KILSIXAUSTYNJM-CQSZACIVSA-N -1 3 389.416 0.235 20 50 GCGDHM CCCc1nnc(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821142344 945639744 /nfs/dbraw/zinc/63/97/44/945639744.db2.gz HAMRLFHSWLPLKJ-UHFFFAOYSA-N -1 3 388.413 0.756 20 50 GCGDHM CCCc1nnc(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821142344 945639748 /nfs/dbraw/zinc/63/97/48/945639748.db2.gz HAMRLFHSWLPLKJ-UHFFFAOYSA-N -1 3 388.413 0.756 20 50 GCGDHM CCCc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n[nH]1 ZINC000821139329 945639883 /nfs/dbraw/zinc/63/98/83/945639883.db2.gz UBVCZDFJYBIKQV-UHFFFAOYSA-N -1 3 398.383 0.160 20 50 GCGDHM CCCc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000821139329 945639888 /nfs/dbraw/zinc/63/98/88/945639888.db2.gz UBVCZDFJYBIKQV-UHFFFAOYSA-N -1 3 398.383 0.160 20 50 GCGDHM CCNC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821286254 945663709 /nfs/dbraw/zinc/66/37/09/945663709.db2.gz PADWQIGPHJHGRQ-GUNGLEHYSA-N -1 3 397.443 0.341 20 50 GCGDHM CCNC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821286254 945663718 /nfs/dbraw/zinc/66/37/18/945663718.db2.gz PADWQIGPHJHGRQ-GUNGLEHYSA-N -1 3 397.443 0.341 20 50 GCGDHM CN(CCOc1ccccc1)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821605106 945740232 /nfs/dbraw/zinc/74/02/32/945740232.db2.gz VOLIEUBRVYGYTE-UHFFFAOYSA-N -1 3 395.423 0.639 20 50 GCGDHM CN(CCOc1ccccc1)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821605106 945740241 /nfs/dbraw/zinc/74/02/41/945740241.db2.gz VOLIEUBRVYGYTE-UHFFFAOYSA-N -1 3 395.423 0.639 20 50 GCGDHM CNC(=O)CC1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821631540 945760977 /nfs/dbraw/zinc/76/09/77/945760977.db2.gz LHNDLMNUORFJIX-UHFFFAOYSA-N -1 3 386.416 0.069 20 50 GCGDHM CNC(=O)CC1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821631540 945760988 /nfs/dbraw/zinc/76/09/88/945760988.db2.gz LHNDLMNUORFJIX-UHFFFAOYSA-N -1 3 386.416 0.069 20 50 GCGDHM COC(=O)[C@@]1(F)CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821653923 945779489 /nfs/dbraw/zinc/77/94/89/945779489.db2.gz OTIYUECZLYRPEQ-USAXFFIDSA-N -1 3 387.375 0.534 20 50 GCGDHM COC(=O)[C@@]1(F)CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821653923 945779496 /nfs/dbraw/zinc/77/94/96/945779496.db2.gz OTIYUECZLYRPEQ-USAXFFIDSA-N -1 3 387.375 0.534 20 50 GCGDHM COC(=O)C[C@H](C)SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821657054 945780537 /nfs/dbraw/zinc/78/05/37/945780537.db2.gz GIKGHYWAYMSQFU-VIFPVBQESA-N -1 3 378.414 0.313 20 50 GCGDHM COC(=O)C[C@H](C)SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821657054 945780549 /nfs/dbraw/zinc/78/05/49/945780549.db2.gz GIKGHYWAYMSQFU-VIFPVBQESA-N -1 3 378.414 0.313 20 50 GCGDHM COC(=O)C[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C1CC1 ZINC000821657613 945782108 /nfs/dbraw/zinc/78/21/08/945782108.db2.gz RGOYXKOSFHRXHN-YGLIYXGISA-N -1 3 383.412 0.879 20 50 GCGDHM COC(=O)C[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C1CC1 ZINC000821657613 945782115 /nfs/dbraw/zinc/78/21/15/945782115.db2.gz RGOYXKOSFHRXHN-YGLIYXGISA-N -1 3 383.412 0.879 20 50 GCGDHM COC(=O)C[C@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCO1 ZINC000821659308 945784398 /nfs/dbraw/zinc/78/43/98/945784398.db2.gz YSNLCJFSPHAJIY-BLXFFLACSA-N -1 3 399.411 0.211 20 50 GCGDHM COC(=O)C[C@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCO1 ZINC000821659308 945784402 /nfs/dbraw/zinc/78/44/02/945784402.db2.gz YSNLCJFSPHAJIY-BLXFFLACSA-N -1 3 399.411 0.211 20 50 GCGDHM CO[C@H](CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821677427 945795235 /nfs/dbraw/zinc/79/52/35/945795235.db2.gz WRZKDYWRUFRSIO-CYBMUJFWSA-N -1 3 377.405 0.247 20 50 GCGDHM CO[C@H](CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821677427 945795242 /nfs/dbraw/zinc/79/52/42/945795242.db2.gz WRZKDYWRUFRSIO-CYBMUJFWSA-N -1 3 377.405 0.247 20 50 GCGDHM CO[C@H](CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821676677 945796658 /nfs/dbraw/zinc/79/66/58/945796658.db2.gz DRSJMOYPOKWLJG-CYBMUJFWSA-N -1 3 377.405 0.247 20 50 GCGDHM COCC(=O)NNC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821680498 945801723 /nfs/dbraw/zinc/80/17/23/945801723.db2.gz LDGXWKHAQGCUSU-UHFFFAOYSA-N -1 3 388.413 0.713 20 50 GCGDHM COCC(=O)NNC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821680498 945801729 /nfs/dbraw/zinc/80/17/29/945801729.db2.gz LDGXWKHAQGCUSU-UHFFFAOYSA-N -1 3 388.413 0.713 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821692360 945824177 /nfs/dbraw/zinc/82/41/77/945824177.db2.gz VSDQJZFDAQIBKH-QWRGUYRKSA-N -1 3 377.405 0.310 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821692360 945824183 /nfs/dbraw/zinc/82/41/83/945824183.db2.gz VSDQJZFDAQIBKH-QWRGUYRKSA-N -1 3 377.405 0.310 20 50 GCGDHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000821696566 945830767 /nfs/dbraw/zinc/83/07/67/945830767.db2.gz IHHPQMLHIDAYDO-LBPRGKRZSA-N -1 3 384.404 0.766 20 50 GCGDHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000821696566 945830782 /nfs/dbraw/zinc/83/07/82/945830782.db2.gz IHHPQMLHIDAYDO-LBPRGKRZSA-N -1 3 384.404 0.766 20 50 GCGDHM COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821772717 945856725 /nfs/dbraw/zinc/85/67/25/945856725.db2.gz MXENAZCMOPHZQM-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821772717 945856737 /nfs/dbraw/zinc/85/67/37/945856737.db2.gz MXENAZCMOPHZQM-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000821772855 945857789 /nfs/dbraw/zinc/85/77/89/945857789.db2.gz SRGZVKWKTNGLKC-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000821772855 945857802 /nfs/dbraw/zinc/85/78/02/945857802.db2.gz SRGZVKWKTNGLKC-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM COc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)cc1-c1nnn[n-]1 ZINC000821786747 945865303 /nfs/dbraw/zinc/86/53/03/945865303.db2.gz IREWCKBQQLNJRD-UHFFFAOYSA-N -1 3 380.368 0.150 20 50 GCGDHM COc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)cc1-c1nn[n-]n1 ZINC000821786747 945865312 /nfs/dbraw/zinc/86/53/12/945865312.db2.gz IREWCKBQQLNJRD-UHFFFAOYSA-N -1 3 380.368 0.150 20 50 GCGDHM COc1cccc(OC)c1CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821872152 945892157 /nfs/dbraw/zinc/89/21/57/945892157.db2.gz JRQZNEWOGCGZNV-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM COc1cccc(OC)c1CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821872152 945892168 /nfs/dbraw/zinc/89/21/68/945892168.db2.gz JRQZNEWOGCGZNV-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM CS[C@@H]1CC[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000821949030 945909631 /nfs/dbraw/zinc/90/96/31/945909631.db2.gz FFGQPUZCJNRHDJ-WDEREUQCSA-N -1 3 391.457 0.860 20 50 GCGDHM CS[C@@H]1CC[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000821949030 945909637 /nfs/dbraw/zinc/90/96/37/945909637.db2.gz FFGQPUZCJNRHDJ-WDEREUQCSA-N -1 3 391.457 0.860 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](CC(N)=O)C2)cc(-c2nnn[n-]2)n1C ZINC000822027495 945933319 /nfs/dbraw/zinc/93/33/19/945933319.db2.gz HISAIMBQIKCIIS-CWZJEYLYSA-N -1 3 382.428 0.535 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](CC(N)=O)C2)cc(-c2nn[n-]n2)n1C ZINC000822027495 945933326 /nfs/dbraw/zinc/93/33/26/945933326.db2.gz HISAIMBQIKCIIS-CWZJEYLYSA-N -1 3 382.428 0.535 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc(-c2nn[n-]n2)n1C ZINC000822027488 945934708 /nfs/dbraw/zinc/93/47/08/945934708.db2.gz HHKZSRQNFCUHAT-VQPUQDIZSA-N -1 3 384.444 0.256 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCNC(=O)C2CCC2)cc(-c2nnn[n-]2)n1C ZINC000822027970 945938633 /nfs/dbraw/zinc/93/86/33/945938633.db2.gz KQNLXNGUPPLNLS-DHDCSXOGSA-N -1 3 396.455 0.843 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCNC(=O)C2CCC2)cc(-c2nn[n-]n2)n1C ZINC000822027970 945938637 /nfs/dbraw/zinc/93/86/37/945938637.db2.gz KQNLXNGUPPLNLS-DHDCSXOGSA-N -1 3 396.455 0.843 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](OCCO)C2)cc(-c2nnn[n-]2)n1C ZINC000822028223 945941280 /nfs/dbraw/zinc/94/12/80/945941280.db2.gz MIUCPQSWVYETIR-OWTLUSIOSA-N -1 3 385.428 0.421 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](OCCO)C2)cc(-c2nn[n-]n2)n1C ZINC000822028223 945941284 /nfs/dbraw/zinc/94/12/84/945941284.db2.gz MIUCPQSWVYETIR-OWTLUSIOSA-N -1 3 385.428 0.421 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc(-c2nn[n-]n2)n1C ZINC000822028376 945941546 /nfs/dbraw/zinc/94/15/46/945941546.db2.gz NQVPPNSCOIMKQE-XGICHPGQSA-N -1 3 396.371 0.342 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)COCC2CC2)cc(-c2nnn[n-]2)n1C ZINC000822028640 945946421 /nfs/dbraw/zinc/94/64/21/945946421.db2.gz REWNRHMZMMDEFX-ZXZGFYSFSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)COCC2CC2)cc(-c2nn[n-]n2)n1C ZINC000822028640 945946430 /nfs/dbraw/zinc/94/64/30/945946430.db2.gz REWNRHMZMMDEFX-ZXZGFYSFSA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCCS2(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822029020 945948376 /nfs/dbraw/zinc/94/83/76/945948376.db2.gz UKGAHTMWUPCBRI-UWUHSAQLSA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCCS2(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822029020 945948384 /nfs/dbraw/zinc/94/83/84/945948384.db2.gz UKGAHTMWUPCBRI-UWUHSAQLSA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCO[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822029089 945951123 /nfs/dbraw/zinc/95/11/23/945951123.db2.gz VNSVGUQPQUHEAJ-NHXNDTTKSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCO[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822029089 945951128 /nfs/dbraw/zinc/95/11/28/945951128.db2.gz VNSVGUQPQUHEAJ-NHXNDTTKSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCc2nnnn2C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029438 945958365 /nfs/dbraw/zinc/95/83/65/945958365.db2.gz YSQBXVRUZFZWJG-LFYBBSHMSA-N -1 3 382.388 0.731 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCc2nnnn2C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029438 945958377 /nfs/dbraw/zinc/95/83/77/945958377.db2.gz YSQBXVRUZFZWJG-LFYBBSHMSA-N -1 3 382.388 0.731 20 50 GCGDHM Cc1cc(F)ccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822205608 945991214 /nfs/dbraw/zinc/99/12/14/945991214.db2.gz ACONPEMMVYKWTQ-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cc(F)ccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822205608 945991222 /nfs/dbraw/zinc/99/12/22/945991222.db2.gz ACONPEMMVYKWTQ-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(O)c1 ZINC000822227556 946007928 /nfs/dbraw/zinc/00/79/28/946007928.db2.gz MYKSHXUXGOHZSH-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(O)c1 ZINC000822227556 946007936 /nfs/dbraw/zinc/00/79/36/946007936.db2.gz MYKSHXUXGOHZSH-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1ccc(CCC(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822235152 946020563 /nfs/dbraw/zinc/02/05/63/946020563.db2.gz VKHYPTUNOSYOQG-UHFFFAOYSA-N -1 3 398.379 0.705 20 50 GCGDHM Cc1ccc(CCC(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822235152 946020571 /nfs/dbraw/zinc/02/05/71/946020571.db2.gz VKHYPTUNOSYOQG-UHFFFAOYSA-N -1 3 398.379 0.705 20 50 GCGDHM Cc1ccc(N)c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822240860 946027967 /nfs/dbraw/zinc/02/79/67/946027967.db2.gz BQVCXAIYFXNJQX-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1ccc(N)c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822240860 946027977 /nfs/dbraw/zinc/02/79/77/946027977.db2.gz BQVCXAIYFXNJQX-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822293752 946049038 /nfs/dbraw/zinc/04/90/38/946049038.db2.gz KJWOVQSBEZIHMD-UHFFFAOYSA-N -1 3 379.380 0.883 20 50 GCGDHM Cc1cccc(C)c1NC(=O)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822293752 946049048 /nfs/dbraw/zinc/04/90/48/946049048.db2.gz KJWOVQSBEZIHMD-UHFFFAOYSA-N -1 3 379.380 0.883 20 50 GCGDHM Cc1cncc(C=CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822399407 946080860 /nfs/dbraw/zinc/08/08/60/946080860.db2.gz GVIOVWZEFMCSSK-UQCOIBPSSA-N -1 3 379.380 0.810 20 50 GCGDHM Cc1ncccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822471709 946101432 /nfs/dbraw/zinc/10/14/32/946101432.db2.gz IIJRZZCYUKMRBC-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1ncccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822471709 946101439 /nfs/dbraw/zinc/10/14/39/946101439.db2.gz IIJRZZCYUKMRBC-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822491887 946102789 /nfs/dbraw/zinc/10/27/89/946102789.db2.gz IKBGXVUUUFUFRT-JTQLQIEISA-N -1 3 397.443 0.792 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822491887 946102795 /nfs/dbraw/zinc/10/27/95/946102795.db2.gz IKBGXVUUUFUFRT-JTQLQIEISA-N -1 3 397.443 0.792 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822492135 946105924 /nfs/dbraw/zinc/10/59/24/946105924.db2.gz RTFDSPSMPRYVLX-JTQLQIEISA-N -1 3 397.443 0.792 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822492135 946105932 /nfs/dbraw/zinc/10/59/32/946105932.db2.gz RTFDSPSMPRYVLX-JTQLQIEISA-N -1 3 397.443 0.792 20 50 GCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=S)NCCc1cccs1 ZINC000822645720 946144891 /nfs/dbraw/zinc/14/48/91/946144891.db2.gz LVEZXDVTHAIVSR-UHFFFAOYSA-N -1 3 376.471 0.618 20 50 GCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=S)NCCc1cccs1 ZINC000822645720 946144896 /nfs/dbraw/zinc/14/48/96/946144896.db2.gz LVEZXDVTHAIVSR-UHFFFAOYSA-N -1 3 376.471 0.618 20 50 GCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)CN1CCCc2ccccc21 ZINC000822645782 946145278 /nfs/dbraw/zinc/14/52/78/946145278.db2.gz OOZSINQPRGPKBG-UHFFFAOYSA-N -1 3 380.412 0.419 20 50 GCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)CN1CCCc2ccccc21 ZINC000822645782 946145287 /nfs/dbraw/zinc/14/52/87/946145287.db2.gz OOZSINQPRGPKBG-UHFFFAOYSA-N -1 3 380.412 0.419 20 50 GCGDHM Cn1cc(Br)cc1C(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822665455 946149335 /nfs/dbraw/zinc/14/93/35/946149335.db2.gz QKYVRLAXGOSDRU-UHFFFAOYSA-N -1 3 393.205 0.381 20 50 GCGDHM Cn1cc(Br)cc1C(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822665455 946149341 /nfs/dbraw/zinc/14/93/41/946149341.db2.gz QKYVRLAXGOSDRU-UHFFFAOYSA-N -1 3 393.205 0.381 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822823373 946196181 /nfs/dbraw/zinc/19/61/81/946196181.db2.gz OWRMUYNNOCIRDT-UHFFFAOYSA-N -1 3 392.379 0.761 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822837153 946202719 /nfs/dbraw/zinc/20/27/19/946202719.db2.gz HFBLOUPCRBAIGF-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837153 946202730 /nfs/dbraw/zinc/20/27/30/946202730.db2.gz HFBLOUPCRBAIGF-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM NC(=O)COc1cccc(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822869514 946209106 /nfs/dbraw/zinc/20/91/06/946209106.db2.gz YKYZCNSLVUBUAU-UHFFFAOYSA-N -1 3 382.384 0.557 20 50 GCGDHM NC(=O)COc1cccc(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822869514 946209117 /nfs/dbraw/zinc/20/91/17/946209117.db2.gz YKYZCNSLVUBUAU-UHFFFAOYSA-N -1 3 382.384 0.557 20 50 GCGDHM NC(=O)c1ccc(OCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822885912 946211753 /nfs/dbraw/zinc/21/17/53/946211753.db2.gz VDYZIKMNPFXYEE-UHFFFAOYSA-N -1 3 395.379 0.196 20 50 GCGDHM NC(=O)c1ccc(OCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822885912 946211762 /nfs/dbraw/zinc/21/17/62/946211762.db2.gz VDYZIKMNPFXYEE-UHFFFAOYSA-N -1 3 395.379 0.196 20 50 GCGDHM O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822912116 946217313 /nfs/dbraw/zinc/21/73/13/946217313.db2.gz NIAAZZWTEJIRKX-UHFFFAOYSA-N -1 3 376.332 0.408 20 50 GCGDHM O=C(C#Cc1ccc2c(c1)OCO2)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822912116 946217325 /nfs/dbraw/zinc/21/73/25/946217325.db2.gz NIAAZZWTEJIRKX-UHFFFAOYSA-N -1 3 376.332 0.408 20 50 GCGDHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NNC(=O)c1cccnc1 ZINC000822955486 946234172 /nfs/dbraw/zinc/23/41/72/946234172.db2.gz XEPGKUGGSXJKPF-UHFFFAOYSA-N -1 3 394.395 0.832 20 50 GCGDHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NNC(=O)c1cccnc1 ZINC000822955486 946234179 /nfs/dbraw/zinc/23/41/79/946234179.db2.gz XEPGKUGGSXJKPF-UHFFFAOYSA-N -1 3 394.395 0.832 20 50 GCGDHM O=C(CN1CCOC2(CCCC2)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823000904 946259642 /nfs/dbraw/zinc/25/96/42/946259642.db2.gz DMLXYSDKCNVBMA-UHFFFAOYSA-N -1 3 385.428 0.273 20 50 GCGDHM O=C(CN1CCOC2(CCCC2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823000904 946259653 /nfs/dbraw/zinc/25/96/53/946259653.db2.gz DMLXYSDKCNVBMA-UHFFFAOYSA-N -1 3 385.428 0.273 20 50 GCGDHM O=C(CN1CSCC1=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823001319 946262465 /nfs/dbraw/zinc/26/24/65/946262465.db2.gz LAOHPUYZLITJAK-UHFFFAOYSA-N -1 3 387.347 0.862 20 50 GCGDHM O=C(CN1CSCC1=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823001319 946262477 /nfs/dbraw/zinc/26/24/77/946262477.db2.gz LAOHPUYZLITJAK-UHFFFAOYSA-N -1 3 387.347 0.862 20 50 GCGDHM O=C(CNC(=O)c1cccnc1)NNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000823005519 946265022 /nfs/dbraw/zinc/26/50/22/946265022.db2.gz VEIXOILAHRXOMU-UHFFFAOYSA-N -1 3 397.424 0.009 20 50 GCGDHM O=C(CNC(=O)c1cccnc1)NNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000823005519 946265033 /nfs/dbraw/zinc/26/50/33/946265033.db2.gz VEIXOILAHRXOMU-UHFFFAOYSA-N -1 3 397.424 0.009 20 50 GCGDHM O=C(COC(=O)COC1CCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823017668 946268009 /nfs/dbraw/zinc/26/80/09/946268009.db2.gz BVENUYDLZJPGRP-UHFFFAOYSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)COC1CCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823017668 946268017 /nfs/dbraw/zinc/26/80/17/946268017.db2.gz BVENUYDLZJPGRP-UHFFFAOYSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)C1(C(F)(F)F)CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823014623 946269336 /nfs/dbraw/zinc/26/93/36/946269336.db2.gz RLSXIVMMYIOHNV-UHFFFAOYSA-N -1 3 398.301 0.513 20 50 GCGDHM O=C(COC(=O)C1(C(F)(F)F)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823014623 946269344 /nfs/dbraw/zinc/26/93/44/946269344.db2.gz RLSXIVMMYIOHNV-UHFFFAOYSA-N -1 3 398.301 0.513 20 50 GCGDHM O=C(COC(=O)Cc1ccc(F)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018133 946270241 /nfs/dbraw/zinc/27/02/41/946270241.db2.gz HXONYDJCMSPLTG-UHFFFAOYSA-N -1 3 398.354 0.553 20 50 GCGDHM O=C(COC(=O)Cc1ccc(F)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018133 946270249 /nfs/dbraw/zinc/27/02/49/946270249.db2.gz HXONYDJCMSPLTG-UHFFFAOYSA-N -1 3 398.354 0.553 20 50 GCGDHM O=C(COC(=O)Cc1ccc(F)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018146 946270870 /nfs/dbraw/zinc/27/08/70/946270870.db2.gz IBQBXHBFAFUPGX-UHFFFAOYSA-N -1 3 398.354 0.553 20 50 GCGDHM O=C(COC(=O)Cc1ccc(F)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018146 946270878 /nfs/dbraw/zinc/27/08/78/946270878.db2.gz IBQBXHBFAFUPGX-UHFFFAOYSA-N -1 3 398.354 0.553 20 50 GCGDHM O=C(COC(=O)[C@H]1Cc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018431 946272623 /nfs/dbraw/zinc/27/26/23/946272623.db2.gz NOOJCOSTKRXXCA-HNNXBMFYSA-N -1 3 392.375 0.511 20 50 GCGDHM O=C(COC(=O)[C@H]1Cc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018431 946272635 /nfs/dbraw/zinc/27/26/35/946272635.db2.gz NOOJCOSTKRXXCA-HNNXBMFYSA-N -1 3 392.375 0.511 20 50 GCGDHM O=C(COC(=O)COc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018808 946275731 /nfs/dbraw/zinc/27/57/31/946275731.db2.gz XWXNFACUYJOTJP-UHFFFAOYSA-N -1 3 396.363 0.250 20 50 GCGDHM O=C(COC(=O)COc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018808 946275739 /nfs/dbraw/zinc/27/57/39/946275739.db2.gz XWXNFACUYJOTJP-UHFFFAOYSA-N -1 3 396.363 0.250 20 50 GCGDHM O=C(COC(=O)[C@H]1CC12CCCC2)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018811 946276654 /nfs/dbraw/zinc/27/66/54/946276654.db2.gz XXFOUUAPYUZBCD-CYBMUJFWSA-N -1 3 384.396 0.751 20 50 GCGDHM O=C(COC(=O)[C@H]1CC12CCCC2)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018811 946276662 /nfs/dbraw/zinc/27/66/62/946276662.db2.gz XXFOUUAPYUZBCD-CYBMUJFWSA-N -1 3 384.396 0.751 20 50 GCGDHM O=C(COC(=O)Cc1ccccc1O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823022970 946278187 /nfs/dbraw/zinc/27/81/87/946278187.db2.gz TVXORJWPPZOIKT-UHFFFAOYSA-N -1 3 396.363 0.119 20 50 GCGDHM O=C(COC(=O)Cc1ccccc1O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823022970 946278197 /nfs/dbraw/zinc/27/81/97/946278197.db2.gz TVXORJWPPZOIKT-UHFFFAOYSA-N -1 3 396.363 0.119 20 50 GCGDHM O=C(COC(=O)Cc1cccs1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823023139 946278424 /nfs/dbraw/zinc/27/84/24/946278424.db2.gz WLJVKSAZLKOHBO-UHFFFAOYSA-N -1 3 386.393 0.475 20 50 GCGDHM O=C(COC(=O)Cc1cccs1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823023139 946278435 /nfs/dbraw/zinc/27/84/35/946278435.db2.gz WLJVKSAZLKOHBO-UHFFFAOYSA-N -1 3 386.393 0.475 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@H]1CCCc2[nH]ccc21 ZINC000823036423 946285201 /nfs/dbraw/zinc/28/52/01/946285201.db2.gz BRNDSAKAVPWSHO-HNNXBMFYSA-N -1 3 396.411 0.982 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cccc(F)c1F ZINC000823037404 946289490 /nfs/dbraw/zinc/28/94/90/946289490.db2.gz XGMBNPNUKAYSKM-UHFFFAOYSA-N -1 3 388.334 0.914 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000823049539 946293411 /nfs/dbraw/zinc/29/34/11/946293411.db2.gz GFEVQDQXUQQWME-UHFFFAOYSA-N -1 3 397.399 0.015 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000823049539 946293420 /nfs/dbraw/zinc/29/34/20/946293420.db2.gz GFEVQDQXUQQWME-UHFFFAOYSA-N -1 3 397.399 0.015 20 50 GCGDHM O=C(C=C1CC(=O)NC(=O)N1)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823074391 946303501 /nfs/dbraw/zinc/30/35/01/946303501.db2.gz QNXFTFNSWCZVNH-UHFFFAOYSA-N -1 3 379.340 0.242 20 50 GCGDHM O=C(C=C1CC(=O)NC(=O)N1)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823074391 946303512 /nfs/dbraw/zinc/30/35/12/946303512.db2.gz QNXFTFNSWCZVNH-UHFFFAOYSA-N -1 3 379.340 0.242 20 50 GCGDHM O=C(NCC[C@H](O)c1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823182975 946337156 /nfs/dbraw/zinc/33/71/56/946337156.db2.gz QROPUJVRHJWMEM-HNNXBMFYSA-N -1 3 381.396 0.934 20 50 GCGDHM O=C(NCC[C@H](O)c1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823182975 946337167 /nfs/dbraw/zinc/33/71/67/946337167.db2.gz QROPUJVRHJWMEM-HNNXBMFYSA-N -1 3 381.396 0.934 20 50 GCGDHM O=C(NCCCO[C@@H]1CCOC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823191348 946339655 /nfs/dbraw/zinc/33/96/55/946339655.db2.gz JZSQATWVNDFLLJ-CYBMUJFWSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCCCO[C@@H]1CCOC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823191348 946339669 /nfs/dbraw/zinc/33/96/69/946339669.db2.gz JZSQATWVNDFLLJ-CYBMUJFWSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN1Cc1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000823273193 946374896 /nfs/dbraw/zinc/37/48/96/946374896.db2.gz HPMYORBROMMHIG-INIZCTEOSA-N -1 3 392.423 0.687 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN1Cc1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000823273193 946374903 /nfs/dbraw/zinc/37/49/03/946374903.db2.gz HPMYORBROMMHIG-INIZCTEOSA-N -1 3 392.423 0.687 20 50 GCGDHM O=C(NNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277448 946402547 /nfs/dbraw/zinc/40/25/47/946402547.db2.gz NJFPOWVWJIZUTM-KBXCAEBGSA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277448 946402556 /nfs/dbraw/zinc/40/25/56/946402556.db2.gz NJFPOWVWJIZUTM-KBXCAEBGSA-N -1 3 385.428 0.848 20 50 GCGDHM CCc1cnccc1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825739640 947306220 /nfs/dbraw/zinc/30/62/20/947306220.db2.gz HKHCNKWSSIVPMG-UHFFFAOYSA-N -1 3 396.411 0.734 20 50 GCGDHM CCc1cnccc1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825739640 947306234 /nfs/dbraw/zinc/30/62/34/947306234.db2.gz HKHCNKWSSIVPMG-UHFFFAOYSA-N -1 3 396.411 0.734 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826200249 947598219 /nfs/dbraw/zinc/59/82/19/947598219.db2.gz GNTBISBARORRTM-UHFFFAOYSA-N -1 3 392.379 0.891 20 50 GCGDHM COc1ccc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826200249 947598225 /nfs/dbraw/zinc/59/82/25/947598225.db2.gz GNTBISBARORRTM-UHFFFAOYSA-N -1 3 392.379 0.891 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nnc(C(C)C)n2C)cc(-c2nnn[n-]2)n1C ZINC000826235307 947689418 /nfs/dbraw/zinc/68/94/18/947689418.db2.gz HGYCJOJOXQQWIG-MLPAPPSSSA-N -1 3 394.443 0.989 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nnc(C(C)C)n2C)cc(-c2nn[n-]n2)n1C ZINC000826235307 947689423 /nfs/dbraw/zinc/68/94/23/947689423.db2.gz HGYCJOJOXQQWIG-MLPAPPSSSA-N -1 3 394.443 0.989 20 50 GCGDHM O=S(=O)(CBr)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826484210 948400597 /nfs/dbraw/zinc/40/05/97/948400597.db2.gz SGSUHGCEOFRGAE-UHFFFAOYSA-N -1 3 388.251 0.066 20 50 GCGDHM O=S(=O)(CBr)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826484210 948400600 /nfs/dbraw/zinc/40/06/00/948400600.db2.gz SGSUHGCEOFRGAE-UHFFFAOYSA-N -1 3 388.251 0.066 20 50 GCGDHM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406638 607339546 /nfs/dbraw/zinc/33/95/46/607339546.db2.gz GKDSRICBWPZMQM-OKILXGFUSA-N -1 3 383.412 0.875 20 50 GCGDHM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409887 607341119 /nfs/dbraw/zinc/34/11/19/607341119.db2.gz SJGPHLZSGMFAEC-UHFFFAOYSA-N -1 3 392.379 0.816 20 50 GCGDHM Cn1ccnc1[C@@](O)(CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000826364283 607341975 /nfs/dbraw/zinc/34/19/75/607341975.db2.gz QNQPTQQGYBOXBB-AWEZNQCLSA-N -1 3 396.333 0.884 20 50 GCGDHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825341658 607343050 /nfs/dbraw/zinc/34/30/50/607343050.db2.gz GWSQDIZVCZZDQX-CYBMUJFWSA-N -1 3 379.446 0.514 20 50 GCGDHM O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409743 607344584 /nfs/dbraw/zinc/34/45/84/607344584.db2.gz NJQONGJHELOJQA-UHFFFAOYSA-N -1 3 384.400 0.565 20 50 GCGDHM CN(C)S(=O)(=O)c1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825875743 607348070 /nfs/dbraw/zinc/34/80/70/607348070.db2.gz XAQYEXYELRNVHL-UHFFFAOYSA-N -1 3 387.425 0.874 20 50 GCGDHM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824104049 607347637 /nfs/dbraw/zinc/34/76/37/607347637.db2.gz MZZQYNFZHHKKOV-STQMWFEESA-N -1 3 389.416 0.680 20 50 GCGDHM C[N-]S(=O)(=O)c1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)o1 ZINC000826090768 607350271 /nfs/dbraw/zinc/35/02/71/607350271.db2.gz OGNRIPWJPDIWSZ-UHFFFAOYSA-N -1 3 377.386 0.433 20 50 GCGDHM O=C(COCC(=O)NNc1ccc(-c2nn[n-]n2)cc1)NCc1cccnc1 ZINC000826416952 607350554 /nfs/dbraw/zinc/35/05/54/607350554.db2.gz XPSGDKKWWWENTD-UHFFFAOYSA-N -1 3 382.384 0.038 20 50 GCGDHM CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824109940 607355993 /nfs/dbraw/zinc/35/59/93/607355993.db2.gz ZWYRSZXUNOIRRO-CYBMUJFWSA-N -1 3 389.416 0.946 20 50 GCGDHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826342755 607356801 /nfs/dbraw/zinc/35/68/01/607356801.db2.gz YKENHIABKFUWLC-UHFFFAOYSA-N -1 3 391.413 0.775 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCc1cccc(F)n1 ZINC000826419470 607462908 /nfs/dbraw/zinc/46/29/08/607462908.db2.gz YUCGFKZFAFSTKJ-UHFFFAOYSA-N -1 3 386.347 0.310 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCc1cccc(F)n1 ZINC000826419470 607462910 /nfs/dbraw/zinc/46/29/10/607462910.db2.gz YUCGFKZFAFSTKJ-UHFFFAOYSA-N -1 3 386.347 0.310 20 50 GCGDHM Cc1nc2nc(N)nn2c(C)c1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826328839 607463529 /nfs/dbraw/zinc/46/35/29/607463529.db2.gz GLOQTVFBRZFWSL-UHFFFAOYSA-N -1 3 379.388 0.189 20 50 GCGDHM Cc1nc2nc(N)nn2c(C)c1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826328938 607463782 /nfs/dbraw/zinc/46/37/82/607463782.db2.gz JZEWDUQANBQRGX-UHFFFAOYSA-N -1 3 379.388 0.189 20 50 GCGDHM Cc1nc2nc(N)nn2c(C)c1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826328938 607463785 /nfs/dbraw/zinc/46/37/85/607463785.db2.gz JZEWDUQANBQRGX-UHFFFAOYSA-N -1 3 379.388 0.189 20 50 GCGDHM O=C(CN1CCc2ccc(F)cc2C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826412047 607471606 /nfs/dbraw/zinc/47/16/06/607471606.db2.gz ZAIZNVXCHBZNIX-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM O=C(CN1CCc2ccc(F)cc2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826412047 607471608 /nfs/dbraw/zinc/47/16/08/607471608.db2.gz ZAIZNVXCHBZNIX-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccncc2)cc(-c2nnn[n-]2)n1C ZINC000826235390 607561730 /nfs/dbraw/zinc/56/17/30/607561730.db2.gz IYVLLYHDTZDSCH-VFXTVZEFSA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccncc2)cc(-c2nn[n-]n2)n1C ZINC000826235390 607561732 /nfs/dbraw/zinc/56/17/32/607561732.db2.gz IYVLLYHDTZDSCH-VFXTVZEFSA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccncc2)cc(-c2nnn[n-]2)n1C ZINC000826235389 607561973 /nfs/dbraw/zinc/56/19/73/607561973.db2.gz IYVLLYHDTZDSCH-SNQWNFELSA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccncc2)cc(-c2nn[n-]n2)n1C ZINC000826235389 607561975 /nfs/dbraw/zinc/56/19/75/607561975.db2.gz IYVLLYHDTZDSCH-SNQWNFELSA-N -1 3 378.396 0.665 20 50 GCGDHM CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825643709 607682619 /nfs/dbraw/zinc/68/26/19/607682619.db2.gz RWQVHNJCGDVHNP-SNVBAGLBSA-N -1 3 385.384 0.822 20 50 GCGDHM CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825643709 607682621 /nfs/dbraw/zinc/68/26/21/607682621.db2.gz RWQVHNJCGDVHNP-SNVBAGLBSA-N -1 3 385.384 0.822 20 50 GCGDHM COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826192490 607708850 /nfs/dbraw/zinc/70/88/50/607708850.db2.gz PMFBIGJMAPOACA-UHFFFAOYSA-N -1 3 382.384 0.757 20 50 GCGDHM COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826192490 607708852 /nfs/dbraw/zinc/70/88/52/607708852.db2.gz PMFBIGJMAPOACA-UHFFFAOYSA-N -1 3 382.384 0.757 20 50 GCGDHM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406550 607712166 /nfs/dbraw/zinc/71/21/66/607712166.db2.gz BUNBELWIIARUGC-OKILXGFUSA-N -1 3 383.412 0.875 20 50 GCGDHM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406550 607712168 /nfs/dbraw/zinc/71/21/68/607712168.db2.gz BUNBELWIIARUGC-OKILXGFUSA-N -1 3 383.412 0.875 20 50 GCGDHM Cn1ccnc1CN1CCC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826364511 607715789 /nfs/dbraw/zinc/71/57/89/607715789.db2.gz YMSDISBMUDBVFP-UHFFFAOYSA-N -1 3 381.444 0.956 20 50 GCGDHM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826340602 607717876 /nfs/dbraw/zinc/71/78/76/607717876.db2.gz DSSHSNVMAPQJMW-UHFFFAOYSA-N -1 3 377.386 0.481 20 50 GCGDHM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825341586 607720600 /nfs/dbraw/zinc/72/06/00/607720600.db2.gz FODSUBGSUQBIEB-CQSZACIVSA-N -1 3 393.473 0.904 20 50 GCGDHM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825341586 607720602 /nfs/dbraw/zinc/72/06/02/607720602.db2.gz FODSUBGSUQBIEB-CQSZACIVSA-N -1 3 393.473 0.904 20 50 GCGDHM C[C@]1(c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)NC(=O)NC1=O ZINC000824844001 607729304 /nfs/dbraw/zinc/72/93/04/607729304.db2.gz MFAWZVOSNFQEHC-GOSISDBHSA-N -1 3 392.379 0.678 20 50 GCGDHM O=C(COC(=O)C(C1CC1)C1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826415296 607805900 /nfs/dbraw/zinc/80/59/00/607805900.db2.gz ZLQOWFPZEIRCRY-UHFFFAOYSA-N -1 3 384.396 0.607 20 50 GCGDHM O=C(COC(=O)C(C1CC1)C1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826415296 607805901 /nfs/dbraw/zinc/80/59/01/607805901.db2.gz ZLQOWFPZEIRCRY-UHFFFAOYSA-N -1 3 384.396 0.607 20 50 GCGDHM CCN(CCS(C)(=O)=O)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825424405 607808873 /nfs/dbraw/zinc/80/88/73/607808873.db2.gz FXAJVECRFXZQHR-JYRVWZFOSA-N -1 3 391.457 0.314 20 50 GCGDHM CCN(CCS(C)(=O)=O)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825424405 607808874 /nfs/dbraw/zinc/80/88/74/607808874.db2.gz FXAJVECRFXZQHR-JYRVWZFOSA-N -1 3 391.457 0.314 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826445079 607823803 /nfs/dbraw/zinc/82/38/03/607823803.db2.gz GKZIBSINHIHIND-MCIONIFRSA-N -1 3 383.412 0.768 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826445079 607823804 /nfs/dbraw/zinc/82/38/04/607823804.db2.gz GKZIBSINHIHIND-MCIONIFRSA-N -1 3 383.412 0.768 20 50 GCGDHM Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826286688 607827484 /nfs/dbraw/zinc/82/74/84/607827484.db2.gz MKEWUZRRIUHRDA-UHFFFAOYSA-N -1 3 384.352 0.315 20 50 GCGDHM Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826286688 607827485 /nfs/dbraw/zinc/82/74/85/607827485.db2.gz MKEWUZRRIUHRDA-UHFFFAOYSA-N -1 3 384.352 0.315 20 50 GCGDHM O=C(CN1CCO[C@H]2CCCC[C@H]21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411360 607921847 /nfs/dbraw/zinc/92/18/47/607921847.db2.gz WBYDPIJVALIINQ-CABCVRRESA-N -1 3 385.428 0.271 20 50 GCGDHM O=C(CN1CCO[C@H]2CCCC[C@H]21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411360 607921848 /nfs/dbraw/zinc/92/18/48/607921848.db2.gz WBYDPIJVALIINQ-CABCVRRESA-N -1 3 385.428 0.271 20 50 GCGDHM Cc1cc([C@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)on1 ZINC000826266017 607921978 /nfs/dbraw/zinc/92/19/78/607921978.db2.gz YRZDMYDJSPZOFQ-CQSZACIVSA-N -1 3 396.411 0.761 20 50 GCGDHM Cc1cc([C@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)on1 ZINC000826266017 607921979 /nfs/dbraw/zinc/92/19/79/607921979.db2.gz YRZDMYDJSPZOFQ-CQSZACIVSA-N -1 3 396.411 0.761 20 50 GCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccc2O1 ZINC000824985091 607922143 /nfs/dbraw/zinc/92/21/43/607922143.db2.gz RIFSRINPBWPEBI-LBPRGKRZSA-N -1 3 393.407 0.915 20 50 GCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000824985091 607922144 /nfs/dbraw/zinc/92/21/44/607922144.db2.gz RIFSRINPBWPEBI-LBPRGKRZSA-N -1 3 393.407 0.915 20 50 GCGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccccn1 ZINC000825395658 607924198 /nfs/dbraw/zinc/92/41/98/607924198.db2.gz UCCXGPGSTZCHBK-UHFFFAOYSA-N -1 3 380.412 0.545 20 50 GCGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccccn1 ZINC000825395658 607924199 /nfs/dbraw/zinc/92/41/99/607924199.db2.gz UCCXGPGSTZCHBK-UHFFFAOYSA-N -1 3 380.412 0.545 20 50 GCGDHM CC(C)(NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1nccs1 ZINC000824166874 607924854 /nfs/dbraw/zinc/92/48/54/607924854.db2.gz LQBOWIVLETWUHT-UHFFFAOYSA-N -1 3 386.441 0.609 20 50 GCGDHM CC(C)(NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1nccs1 ZINC000824166874 607924855 /nfs/dbraw/zinc/92/48/55/607924855.db2.gz LQBOWIVLETWUHT-UHFFFAOYSA-N -1 3 386.441 0.609 20 50 GCGDHM Cc1ccc2c(c1)N(CC(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826294399 607925616 /nfs/dbraw/zinc/92/56/16/607925616.db2.gz QKVYDLLWPFLESE-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM Cc1ccc2c(c1)N(CC(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826294399 607925617 /nfs/dbraw/zinc/92/56/17/607925617.db2.gz QKVYDLLWPFLESE-UHFFFAOYSA-N -1 3 377.408 0.999 20 50 GCGDHM O=C(CN1CCCC[C@@H]1c1cn[nH]c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410120 607925744 /nfs/dbraw/zinc/92/57/44/607925744.db2.gz CBRUMOKKQJMAMS-OAHLLOKOSA-N -1 3 395.427 0.578 20 50 GCGDHM O=C(CN1CCCC[C@@H]1c1cn[nH]c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410120 607925745 /nfs/dbraw/zinc/92/57/45/607925745.db2.gz CBRUMOKKQJMAMS-OAHLLOKOSA-N -1 3 395.427 0.578 20 50 GCGDHM O=C(NNC(=O)c1cncc(N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445086 607936835 /nfs/dbraw/zinc/93/68/35/607936835.db2.gz GMPKZHKFQOTKLM-UHFFFAOYSA-N -1 3 394.395 0.173 20 50 GCGDHM CNC(=O)c1cccc(OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826073193 607981756 /nfs/dbraw/zinc/98/17/56/607981756.db2.gz IYTUKYUOQWOIKK-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM CNC(=O)c1cccc(OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826073193 607981757 /nfs/dbraw/zinc/98/17/57/607981757.db2.gz IYTUKYUOQWOIKK-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM COCC1(O)CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000826152625 608008090 /nfs/dbraw/zinc/00/80/90/608008090.db2.gz HSTSLAQZBNAYMQ-RIYZIHGNSA-N -1 3 385.428 0.421 20 50 GCGDHM COCC1(O)CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000826152625 608008091 /nfs/dbraw/zinc/00/80/91/608008091.db2.gz HSTSLAQZBNAYMQ-RIYZIHGNSA-N -1 3 385.428 0.421 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-n2ccnn2)cc1 ZINC000826445284 608026231 /nfs/dbraw/zinc/02/62/31/608026231.db2.gz NMQQWQYOKBYZNO-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-n2ccnn2)cc1 ZINC000826445284 608026232 /nfs/dbraw/zinc/02/62/32/608026232.db2.gz NMQQWQYOKBYZNO-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(C2OCCO2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826445518 608123154 /nfs/dbraw/zinc/12/31/54/608123154.db2.gz XRGZSHGIDSOSRZ-UHFFFAOYSA-N -1 3 380.364 0.987 20 50 GCGDHM O=C(NNC(=O)c1cccc(C2OCCO2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445518 608123155 /nfs/dbraw/zinc/12/31/55/608123155.db2.gz XRGZSHGIDSOSRZ-UHFFFAOYSA-N -1 3 380.364 0.987 20 50 GCGDHM Cn1c2ccccc2sc1=NNC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826354484 608217528 /nfs/dbraw/zinc/21/75/28/608217528.db2.gz GTSCJFLXJFXUCU-UHFFFAOYSA-N -1 3 381.425 0.859 20 50 GCGDHM Cn1c2ccccc2sc1=NNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826354484 608217530 /nfs/dbraw/zinc/21/75/30/608217530.db2.gz GTSCJFLXJFXUCU-UHFFFAOYSA-N -1 3 381.425 0.859 20 50 GCGDHM O=C(NNC(=O)N1CCC(c2cn[nH]c2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444839 608414449 /nfs/dbraw/zinc/41/44/49/608414449.db2.gz WSKUJSNEGQUJHB-UHFFFAOYSA-N -1 3 381.400 0.824 20 50 GCGDHM O=C(NNC(=O)N1CCC(c2cn[nH]c2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444839 608414450 /nfs/dbraw/zinc/41/44/50/608414450.db2.gz WSKUJSNEGQUJHB-UHFFFAOYSA-N -1 3 381.400 0.824 20 50 GCGDHM CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826145527 608538114 /nfs/dbraw/zinc/53/81/14/608538114.db2.gz IETBNIOKXPHAES-AAEUAGOBSA-N -1 3 389.416 0.391 20 50 GCGDHM CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826145527 608538117 /nfs/dbraw/zinc/53/81/17/608538117.db2.gz IETBNIOKXPHAES-AAEUAGOBSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824891551 608844954 /nfs/dbraw/zinc/84/49/54/608844954.db2.gz AUGOJQNQXLFMDB-MNOVXSKESA-N -1 3 375.389 0.143 20 50 GCGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824891551 608844956 /nfs/dbraw/zinc/84/49/56/608844956.db2.gz AUGOJQNQXLFMDB-MNOVXSKESA-N -1 3 375.389 0.143 20 50 GCGDHM C[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824891553 608845259 /nfs/dbraw/zinc/84/52/59/608845259.db2.gz AUGOJQNQXLFMDB-QWRGUYRKSA-N -1 3 375.389 0.143 20 50 GCGDHM C[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824891553 608845262 /nfs/dbraw/zinc/84/52/62/608845262.db2.gz AUGOJQNQXLFMDB-QWRGUYRKSA-N -1 3 375.389 0.143 20 50 GCGDHM CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948184 609158889 /nfs/dbraw/zinc/15/88/89/609158889.db2.gz GBPUCFFDOUDLBA-JTQLQIEISA-N -1 3 381.393 0.216 20 50 GCGDHM CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948184 609158891 /nfs/dbraw/zinc/15/88/91/609158891.db2.gz GBPUCFFDOUDLBA-JTQLQIEISA-N -1 3 381.393 0.216 20 50 GCGDHM CN(C)c1cccc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825879704 609186069 /nfs/dbraw/zinc/18/60/69/609186069.db2.gz OXNCIPRDMGRXTR-OAHLLOKOSA-N -1 3 381.396 0.427 20 50 GCGDHM CN(C)c1cccc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825879704 609186070 /nfs/dbraw/zinc/18/60/70/609186070.db2.gz OXNCIPRDMGRXTR-OAHLLOKOSA-N -1 3 381.396 0.427 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000824498665 609191890 /nfs/dbraw/zinc/19/18/90/609191890.db2.gz JILMFNJYWDODBX-DGCLKSJQSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000824498669 609192016 /nfs/dbraw/zinc/19/20/16/609192016.db2.gz JILMFNJYWDODBX-YPMHNXCESA-N -1 3 389.416 0.391 20 50 GCGDHM O=C(NNc1ncccn1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826450086 609204695 /nfs/dbraw/zinc/20/46/95/609204695.db2.gz WPSZPLBIEWBRFL-CYBMUJFWSA-N -1 3 394.399 0.478 20 50 GCGDHM O=C(NNc1ncccn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826450086 609204696 /nfs/dbraw/zinc/20/46/96/609204696.db2.gz WPSZPLBIEWBRFL-CYBMUJFWSA-N -1 3 394.399 0.478 20 50 GCGDHM O=C(NCCc1cccs1)NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826440080 609214371 /nfs/dbraw/zinc/21/43/71/609214371.db2.gz XSDZDZVRLUHJRA-ZDUSSCGKSA-N -1 3 387.425 0.535 20 50 GCGDHM O=C(NCCc1cccs1)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826440080 609214372 /nfs/dbraw/zinc/21/43/72/609214372.db2.gz XSDZDZVRLUHJRA-ZDUSSCGKSA-N -1 3 387.425 0.535 20 50 GCGDHM CS(=O)(=O)c1ccc(NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826224138 609254447 /nfs/dbraw/zinc/25/44/47/609254447.db2.gz QCAQGRXPRGBIFP-CQSZACIVSA-N -1 3 388.409 0.447 20 50 GCGDHM CS(=O)(=O)c1ccc(NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826224138 609254449 /nfs/dbraw/zinc/25/44/49/609254449.db2.gz QCAQGRXPRGBIFP-CQSZACIVSA-N -1 3 388.409 0.447 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235162 609295594 /nfs/dbraw/zinc/29/55/94/609295594.db2.gz DJTKLXJEMUFJNU-YCGNWBHESA-N -1 3 383.334 0.802 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235162 609295596 /nfs/dbraw/zinc/29/55/96/609295596.db2.gz DJTKLXJEMUFJNU-YCGNWBHESA-N -1 3 383.334 0.802 20 50 GCGDHM Cn1cc(C=NNC(=O)[C@@H]2COCCO2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359379 609306485 /nfs/dbraw/zinc/30/64/85/609306485.db2.gz FIJXXQVPIYOZHR-AWEZNQCLSA-N -1 3 382.384 0.133 20 50 GCGDHM Cn1cc(C=NNC(=O)[C@@H]2COCCO2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359379 609306487 /nfs/dbraw/zinc/30/64/87/609306487.db2.gz FIJXXQVPIYOZHR-AWEZNQCLSA-N -1 3 382.384 0.133 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)c2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000826235978 609393152 /nfs/dbraw/zinc/39/31/52/609393152.db2.gz VWIWWRDGGLWSDJ-VQEQIULKSA-N -1 3 381.400 0.004 20 50 GCGDHM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824772647 609446019 /nfs/dbraw/zinc/44/60/19/609446019.db2.gz WLYSPQUWPFXUMS-BLLLJJGKSA-N -1 3 395.423 0.975 20 50 GCGDHM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824772647 609446022 /nfs/dbraw/zinc/44/60/22/609446022.db2.gz WLYSPQUWPFXUMS-BLLLJJGKSA-N -1 3 395.423 0.975 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H](CO)Cc1ccccc1 ZINC000826445207 609446422 /nfs/dbraw/zinc/44/64/22/609446422.db2.gz KUDHGVDEBVNBNS-OAHLLOKOSA-N -1 3 381.396 0.414 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H](CO)Cc1ccccc1 ZINC000826445207 609446423 /nfs/dbraw/zinc/44/64/23/609446423.db2.gz KUDHGVDEBVNBNS-OAHLLOKOSA-N -1 3 381.396 0.414 20 50 GCGDHM COc1cccc([C@@H](CO)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826214798 609446823 /nfs/dbraw/zinc/44/68/23/609446823.db2.gz XKACRINQIIKPAZ-OAHLLOKOSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1cccc([C@@H](CO)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826214798 609446826 /nfs/dbraw/zinc/44/68/26/609446826.db2.gz XKACRINQIIKPAZ-OAHLLOKOSA-N -1 3 397.395 0.553 20 50 GCGDHM NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826388922 609505160 /nfs/dbraw/zinc/50/51/60/609505160.db2.gz MFGKZKCCVAQQBW-OAHLLOKOSA-N -1 3 399.386 0.102 20 50 GCGDHM CCC[C@@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825254215 609534044 /nfs/dbraw/zinc/53/40/44/609534044.db2.gz RIYNJXLOEYKIGW-DZGCQCFKSA-N -1 3 388.428 0.988 20 50 GCGDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824099509 609559584 /nfs/dbraw/zinc/55/95/84/609559584.db2.gz IJIHAQPXSMFSQD-GOSISDBHSA-N -1 3 399.411 0.889 20 50 GCGDHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824099509 609559586 /nfs/dbraw/zinc/55/95/86/609559586.db2.gz IJIHAQPXSMFSQD-GOSISDBHSA-N -1 3 399.411 0.889 20 50 GCGDHM O=C(NC[C@H](O)CCc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826433019 609606781 /nfs/dbraw/zinc/60/67/81/609606781.db2.gz RZFAVQDLZCDCDP-MRXNPFEDSA-N -1 3 395.423 0.804 20 50 GCGDHM O=C(NC[C@H](O)CCc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826433019 609606784 /nfs/dbraw/zinc/60/67/84/609606784.db2.gz RZFAVQDLZCDCDP-MRXNPFEDSA-N -1 3 395.423 0.804 20 50 GCGDHM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737502302 945084853 /nfs/dbraw/zinc/08/48/53/945084853.db2.gz VHZDIUUEGRQICF-HNNXBMFYSA-N -1 3 393.411 0.987 20 50 GCGDHM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737502302 945084864 /nfs/dbraw/zinc/08/48/64/945084864.db2.gz VHZDIUUEGRQICF-HNNXBMFYSA-N -1 3 393.411 0.987 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737508541 945086408 /nfs/dbraw/zinc/08/64/08/945086408.db2.gz CBYYJCQREXPRCY-JTQLQIEISA-N -1 3 382.428 0.857 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737508541 945086419 /nfs/dbraw/zinc/08/64/19/945086419.db2.gz CBYYJCQREXPRCY-JTQLQIEISA-N -1 3 382.428 0.857 20 50 GCGDHM Cc1noc([C@@H]2CCCN(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000737533445 945088439 /nfs/dbraw/zinc/08/84/39/945088439.db2.gz AMLPLBCOEOKTNM-CYBMUJFWSA-N -1 3 397.399 0.792 20 50 GCGDHM Cc1noc([C@@H]2CCCN(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000737533445 945088450 /nfs/dbraw/zinc/08/84/50/945088450.db2.gz AMLPLBCOEOKTNM-CYBMUJFWSA-N -1 3 397.399 0.792 20 50 GCGDHM Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737513643 945088689 /nfs/dbraw/zinc/08/86/89/945088689.db2.gz RDYMQQXGMRVYRM-SNVBAGLBSA-N -1 3 399.415 0.379 20 50 GCGDHM Cc1noc(CCCNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000737535775 945090992 /nfs/dbraw/zinc/09/09/92/945090992.db2.gz YNRHIAOUKIGDGJ-QPEQYQDCSA-N -1 3 381.400 0.861 20 50 GCGDHM Cc1noc(CCCNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000737535775 945091001 /nfs/dbraw/zinc/09/10/01/945091001.db2.gz YNRHIAOUKIGDGJ-QPEQYQDCSA-N -1 3 381.400 0.861 20 50 GCGDHM Cn1c(NNC(=O)COc2cccc(-c3nnn[n-]3)c2)nc2ccccc2c1=O ZINC000737595709 945098314 /nfs/dbraw/zinc/09/83/14/945098314.db2.gz KDSLMZCOWJVMNX-UHFFFAOYSA-N -1 3 392.379 0.636 20 50 GCGDHM Cn1c(NNC(=O)COc2cccc(-c3nn[n-]n3)c2)nc2ccccc2c1=O ZINC000737595709 945098321 /nfs/dbraw/zinc/09/83/21/945098321.db2.gz KDSLMZCOWJVMNX-UHFFFAOYSA-N -1 3 392.379 0.636 20 50 GCGDHM Cn1cc([C@@H]2CCCN2C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737606028 945101659 /nfs/dbraw/zinc/10/16/59/945101659.db2.gz PPUUHHGFOGFZGW-AWEZNQCLSA-N -1 3 381.400 0.792 20 50 GCGDHM Cn1cc([C@@H]2CCCN2C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737606028 945101664 /nfs/dbraw/zinc/10/16/64/945101664.db2.gz PPUUHHGFOGFZGW-AWEZNQCLSA-N -1 3 381.400 0.792 20 50 GCGDHM Cn1cc([C@@H]2CCCN2C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737606483 945102162 /nfs/dbraw/zinc/10/21/62/945102162.db2.gz SJOOBHGZHZQTNJ-AWEZNQCLSA-N -1 3 381.400 0.792 20 50 GCGDHM Cn1cc([C@@H]2CCCN2C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737606483 945102167 /nfs/dbraw/zinc/10/21/67/945102167.db2.gz SJOOBHGZHZQTNJ-AWEZNQCLSA-N -1 3 381.400 0.792 20 50 GCGDHM Cn1ncc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1-n1cccc1 ZINC000737623324 945104238 /nfs/dbraw/zinc/10/42/38/945104238.db2.gz RZAZAYIEOBRZSD-UHFFFAOYSA-N -1 3 377.368 0.466 20 50 GCGDHM N#CCOc1ccc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737696172 945112718 /nfs/dbraw/zinc/11/27/18/945112718.db2.gz OMDVSBAZJFYSPR-UHFFFAOYSA-N -1 3 377.364 0.773 20 50 GCGDHM N#CCOc1ccc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737696172 945112723 /nfs/dbraw/zinc/11/27/23/945112723.db2.gz OMDVSBAZJFYSPR-UHFFFAOYSA-N -1 3 377.364 0.773 20 50 GCGDHM N#CCOc1ccc(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737696005 945113363 /nfs/dbraw/zinc/11/33/63/945113363.db2.gz NTXAJTQLYXNRPO-UHFFFAOYSA-N -1 3 377.364 0.773 20 50 GCGDHM N#CCOc1ccc(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737696005 945113372 /nfs/dbraw/zinc/11/33/72/945113372.db2.gz NTXAJTQLYXNRPO-UHFFFAOYSA-N -1 3 377.364 0.773 20 50 GCGDHM N#Cc1ccc(OCC(=O)NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737722793 945116717 /nfs/dbraw/zinc/11/67/17/945116717.db2.gz YLJNTDWLRHIYNR-UHFFFAOYSA-N -1 3 387.363 0.915 20 50 GCGDHM N#Cc1ccc(OCC(=O)NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737722793 945116723 /nfs/dbraw/zinc/11/67/23/945116723.db2.gz YLJNTDWLRHIYNR-UHFFFAOYSA-N -1 3 387.363 0.915 20 50 GCGDHM NC(=O)[C@H](NNC(=O)Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736730 945118527 /nfs/dbraw/zinc/11/85/27/945118527.db2.gz LLDNMYSCVLJAAS-OAHLLOKOSA-N -1 3 385.815 0.910 20 50 GCGDHM NC(=O)[C@H](NNC(=O)Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736730 945118530 /nfs/dbraw/zinc/11/85/30/945118530.db2.gz LLDNMYSCVLJAAS-OAHLLOKOSA-N -1 3 385.815 0.910 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)c1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738672 945120758 /nfs/dbraw/zinc/12/07/58/945120758.db2.gz WGMAWGLTAYWXDG-INIZCTEOSA-N -1 3 388.391 0.876 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)c1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738672 945120766 /nfs/dbraw/zinc/12/07/66/945120766.db2.gz WGMAWGLTAYWXDG-INIZCTEOSA-N -1 3 388.391 0.876 20 50 GCGDHM Nc1cc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc(Cl)n1 ZINC000737773235 945124393 /nfs/dbraw/zinc/12/43/93/945124393.db2.gz KDIQPLKKMMLTAJ-UHFFFAOYSA-N -1 3 388.775 0.337 20 50 GCGDHM O=C(CCCn1ccccc1=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737834930 945134944 /nfs/dbraw/zinc/13/49/44/945134944.db2.gz BRYPGAHQEPMNOO-UHFFFAOYSA-N -1 3 397.395 0.035 20 50 GCGDHM O=C(CCc1nc(-c2ccoc2)no1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737860822 945141098 /nfs/dbraw/zinc/14/10/98/945141098.db2.gz WLPYVLVWJLLFRF-UHFFFAOYSA-N -1 3 394.351 0.904 20 50 GCGDHM O=C(CCc1ccccc1)NNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737856968 945139161 /nfs/dbraw/zinc/13/91/61/945139161.db2.gz IXHVGBVZTDJZCR-UHFFFAOYSA-N -1 3 394.395 0.475 20 50 GCGDHM O=C(CCc1ccccc1)NNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737856968 945139164 /nfs/dbraw/zinc/13/91/64/945139164.db2.gz IXHVGBVZTDJZCR-UHFFFAOYSA-N -1 3 394.395 0.475 20 50 GCGDHM O=C(CCc1nc(-c2ccoc2)no1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737860822 945141095 /nfs/dbraw/zinc/14/10/95/945141095.db2.gz WLPYVLVWJLLFRF-UHFFFAOYSA-N -1 3 394.351 0.904 20 50 GCGDHM O=C(CN1CCc2sccc2C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737885434 945144952 /nfs/dbraw/zinc/14/49/52/945144952.db2.gz ZVIFGWFCQMWHDA-UHFFFAOYSA-N -1 3 383.437 0.748 20 50 GCGDHM O=C(CN1CCc2sccc2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737885434 945144961 /nfs/dbraw/zinc/14/49/61/945144961.db2.gz ZVIFGWFCQMWHDA-UHFFFAOYSA-N -1 3 383.437 0.748 20 50 GCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)COCc1ccccc1 ZINC000737896768 945148073 /nfs/dbraw/zinc/14/80/73/945148073.db2.gz YMHYKMLGYSADHT-UHFFFAOYSA-N -1 3 381.396 0.643 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1COc2ccccc21 ZINC000737918521 945151822 /nfs/dbraw/zinc/15/18/22/945151822.db2.gz ITHDRSDPSBVIJJ-CQSZACIVSA-N -1 3 380.364 0.569 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1COc2ccccc21 ZINC000737918520 945152248 /nfs/dbraw/zinc/15/22/48/945152248.db2.gz ITHDRSDPSBVIJJ-AWEZNQCLSA-N -1 3 380.364 0.569 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1ccc2nccn2c1 ZINC000737918836 945152338 /nfs/dbraw/zinc/15/23/38/945152338.db2.gz NNHIQQRNJDVICN-UHFFFAOYSA-N -1 3 378.352 0.354 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cn1ncc2ccccc21 ZINC000737919212 945153812 /nfs/dbraw/zinc/15/38/12/945153812.db2.gz QLIBAFPELKJCOQ-UHFFFAOYSA-N -1 3 392.379 0.443 20 50 GCGDHM O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737967069 945168617 /nfs/dbraw/zinc/16/86/17/945168617.db2.gz UJRUINQDOZSBEF-UHFFFAOYSA-N -1 3 380.364 0.642 20 50 GCGDHM O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737967069 945168630 /nfs/dbraw/zinc/16/86/30/945168630.db2.gz UJRUINQDOZSBEF-UHFFFAOYSA-N -1 3 380.364 0.642 20 50 GCGDHM O=C(Cn1ncc2ccccc2c1=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737985722 945170508 /nfs/dbraw/zinc/17/05/08/945170508.db2.gz PBVPDNYLTKKQDH-UHFFFAOYSA-N -1 3 390.363 0.038 20 50 GCGDHM O=C(Cn1ncc2ccccc2c1=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737985722 945170514 /nfs/dbraw/zinc/17/05/14/945170514.db2.gz PBVPDNYLTKKQDH-UHFFFAOYSA-N -1 3 390.363 0.038 20 50 GCGDHM O=C(Cc1csc(-c2nc[nH]n2)n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737978241 945171720 /nfs/dbraw/zinc/17/17/20/945171720.db2.gz QEMZPHDRIQRUJT-UHFFFAOYSA-N -1 3 396.396 0.112 20 50 GCGDHM O=C(NC[C@H](O)c1ccc(F)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738042151 945174630 /nfs/dbraw/zinc/17/46/30/945174630.db2.gz VVDUTRIASBMVFZ-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NC[C@H](O)c1ccc(F)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738042151 945174639 /nfs/dbraw/zinc/17/46/39/945174639.db2.gz VVDUTRIASBMVFZ-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NCCNC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738075422 945179904 /nfs/dbraw/zinc/17/99/04/945179904.db2.gz QSPUECRYCUUAHD-UHFFFAOYSA-N -1 3 394.395 0.241 20 50 GCGDHM O=C(NCCNC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738075422 945179913 /nfs/dbraw/zinc/17/99/13/945179913.db2.gz QSPUECRYCUUAHD-UHFFFAOYSA-N -1 3 394.395 0.241 20 50 GCGDHM O=C(NCCCc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738075773 945180123 /nfs/dbraw/zinc/18/01/23/945180123.db2.gz PUDPWVMWGRKHNE-UHFFFAOYSA-N -1 3 393.407 0.377 20 50 GCGDHM O=C(NCCCc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738075773 945180131 /nfs/dbraw/zinc/18/01/31/945180131.db2.gz PUDPWVMWGRKHNE-UHFFFAOYSA-N -1 3 393.407 0.377 20 50 GCGDHM O=C(NCCc1ccc2c(c1)OCO2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738087564 945185424 /nfs/dbraw/zinc/18/54/24/945185424.db2.gz FTMZVUCCPIRSEC-UHFFFAOYSA-N -1 3 395.379 0.782 20 50 GCGDHM O=C(NCCc1ccc2c(c1)OCO2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738087564 945185427 /nfs/dbraw/zinc/18/54/27/945185427.db2.gz FTMZVUCCPIRSEC-UHFFFAOYSA-N -1 3 395.379 0.782 20 50 GCGDHM O=C(NCc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738103325 945191373 /nfs/dbraw/zinc/19/13/73/945191373.db2.gz IHWCHFYSETWTHZ-UHFFFAOYSA-N -1 3 383.343 0.083 20 50 GCGDHM O=C(NCc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738103325 945191376 /nfs/dbraw/zinc/19/13/76/945191376.db2.gz IHWCHFYSETWTHZ-UHFFFAOYSA-N -1 3 383.343 0.083 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN1c1nccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129688 945205434 /nfs/dbraw/zinc/20/54/34/945205434.db2.gz HJNLJDIFGDDNPP-GFCCVEGCSA-N -1 3 384.425 0.753 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN1c1nccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129688 945205443 /nfs/dbraw/zinc/20/54/43/945205443.db2.gz HJNLJDIFGDDNPP-GFCCVEGCSA-N -1 3 384.425 0.753 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN1c1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738130105 945206250 /nfs/dbraw/zinc/20/62/50/945206250.db2.gz JZHOZJIRKCUWAN-LBPRGKRZSA-N -1 3 384.425 0.753 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CCCN1c1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738130105 945206256 /nfs/dbraw/zinc/20/62/56/945206256.db2.gz JZHOZJIRKCUWAN-LBPRGKRZSA-N -1 3 384.425 0.753 20 50 GCGDHM O=C(NNC(=O)c1cccc(N2CCOC2=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134444 945220169 /nfs/dbraw/zinc/22/01/69/945220169.db2.gz MWLKYMCCVJLEEJ-UHFFFAOYSA-N -1 3 393.363 0.898 20 50 GCGDHM O=C(NNC(=O)c1cccc(N2CCOC2=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134444 945220177 /nfs/dbraw/zinc/22/01/77/945220177.db2.gz MWLKYMCCVJLEEJ-UHFFFAOYSA-N -1 3 393.363 0.898 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738136337 945233515 /nfs/dbraw/zinc/23/35/15/945233515.db2.gz JWRJOZDZYPYUGY-CQSZACIVSA-N -1 3 398.427 0.308 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738136337 945233525 /nfs/dbraw/zinc/23/35/25/945233525.db2.gz JWRJOZDZYPYUGY-CQSZACIVSA-N -1 3 398.427 0.308 20 50 GCGDHM O=C(NNC(=O)c1cc2c([nH]c1=O)CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000738136322 945234118 /nfs/dbraw/zinc/23/41/18/945234118.db2.gz JHKOUHKQPAUDDA-UHFFFAOYSA-N -1 3 379.380 0.921 20 50 GCGDHM O=C(NNC(=O)c1cc2c([nH]c1=O)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000738136322 945234123 /nfs/dbraw/zinc/23/41/23/945234123.db2.gz JHKOUHKQPAUDDA-UHFFFAOYSA-N -1 3 379.380 0.921 20 50 GCGDHM O=C(NNC(=O)N1CCC(Cn2cccn2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738136830 945237866 /nfs/dbraw/zinc/23/78/66/945237866.db2.gz NJOPHYAJJAQXRX-UHFFFAOYSA-N -1 3 395.427 0.830 20 50 GCGDHM O=C(NNC(=O)N1CCC(Cn2cccn2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738136830 945237875 /nfs/dbraw/zinc/23/78/75/945237875.db2.gz NJOPHYAJJAQXRX-UHFFFAOYSA-N -1 3 395.427 0.830 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000738137281 945241584 /nfs/dbraw/zinc/24/15/84/945241584.db2.gz SWHHGJCYEBSJRT-NSHDSACASA-N -1 3 398.349 0.447 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000738137281 945241587 /nfs/dbraw/zinc/24/15/87/945241587.db2.gz SWHHGJCYEBSJRT-NSHDSACASA-N -1 3 398.349 0.447 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)NC1CCC2(CC1)OCCO2 ZINC000738137239 945242272 /nfs/dbraw/zinc/24/22/72/945242272.db2.gz SKDATJNHKAGSPA-UHFFFAOYSA-N -1 3 387.400 0.496 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)NC1CCC2(CC1)OCCO2 ZINC000738137239 945242284 /nfs/dbraw/zinc/24/22/84/945242284.db2.gz SKDATJNHKAGSPA-UHFFFAOYSA-N -1 3 387.400 0.496 20 50 GCGDHM C=CCC(CC=C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819734529 945274194 /nfs/dbraw/zinc/27/41/94/945274194.db2.gz PXSXSGPPTJKSDZ-UHFFFAOYSA-N -1 3 384.396 0.939 20 50 GCGDHM C=CCC(CC=C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819734529 945274198 /nfs/dbraw/zinc/27/41/98/945274198.db2.gz PXSXSGPPTJKSDZ-UHFFFAOYSA-N -1 3 384.396 0.939 20 50 GCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000819883543 945305638 /nfs/dbraw/zinc/30/56/38/945305638.db2.gz HFIFYALTGVGWPU-SNVBAGLBSA-N -1 3 384.352 0.568 20 50 GCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000819883543 945305645 /nfs/dbraw/zinc/30/56/45/945305645.db2.gz HFIFYALTGVGWPU-SNVBAGLBSA-N -1 3 384.352 0.568 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000819899326 945310206 /nfs/dbraw/zinc/31/02/06/945310206.db2.gz RKPXVHRAEHCEJY-UHFFFAOYSA-N -1 3 375.418 0.001 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000819899326 945310212 /nfs/dbraw/zinc/31/02/12/945310212.db2.gz RKPXVHRAEHCEJY-UHFFFAOYSA-N -1 3 375.418 0.001 20 50 GCGDHM CC(C)(C)OC(=O)CCCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819928004 945313835 /nfs/dbraw/zinc/31/38/35/945313835.db2.gz FWRZBVSYDCKDHB-UHFFFAOYSA-N -1 3 389.416 0.933 20 50 GCGDHM CC(C)(C)OC(=O)CCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819928004 945313845 /nfs/dbraw/zinc/31/38/45/945313845.db2.gz FWRZBVSYDCKDHB-UHFFFAOYSA-N -1 3 389.416 0.933 20 50 GCGDHM CC(C)[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCS1 ZINC000820044567 945336762 /nfs/dbraw/zinc/33/67/62/945336762.db2.gz HFDWZGRBYPCQRY-CQSZACIVSA-N -1 3 389.485 0.701 20 50 GCGDHM CC(C)[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCS1 ZINC000820044567 945336772 /nfs/dbraw/zinc/33/67/72/945336772.db2.gz HFDWZGRBYPCQRY-CQSZACIVSA-N -1 3 389.485 0.701 20 50 GCGDHM CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820137100 945359154 /nfs/dbraw/zinc/35/91/54/945359154.db2.gz FDFBPEPLMQYHSW-JTQLQIEISA-N -1 3 375.389 0.398 20 50 GCGDHM CC(C)OC(=O)[C@@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820137100 945359166 /nfs/dbraw/zinc/35/91/66/945359166.db2.gz FDFBPEPLMQYHSW-JTQLQIEISA-N -1 3 375.389 0.398 20 50 GCGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000735451424 944661985 /nfs/dbraw/zinc/66/19/85/944661985.db2.gz ZPBLCROGSBOLIR-UHFFFAOYSA-N -1 3 385.409 0.668 20 50 GCGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000735451424 944661990 /nfs/dbraw/zinc/66/19/90/944661990.db2.gz ZPBLCROGSBOLIR-UHFFFAOYSA-N -1 3 385.409 0.668 20 50 GCGDHM CC(=O)NC1CCC(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735475380 944663596 /nfs/dbraw/zinc/66/35/96/944663596.db2.gz PKQWYHLSYUVPPX-UHFFFAOYSA-N -1 3 386.416 0.258 20 50 GCGDHM CC(=O)NC1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735475380 944663605 /nfs/dbraw/zinc/66/36/05/944663605.db2.gz PKQWYHLSYUVPPX-UHFFFAOYSA-N -1 3 386.416 0.258 20 50 GCGDHM CC(=O)N[C@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735474910 944663900 /nfs/dbraw/zinc/66/39/00/944663900.db2.gz MOQZUELIXYRAOD-MRXNPFEDSA-N -1 3 393.407 0.895 20 50 GCGDHM CC(=O)N[C@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735474910 944663904 /nfs/dbraw/zinc/66/39/04/944663904.db2.gz MOQZUELIXYRAOD-MRXNPFEDSA-N -1 3 393.407 0.895 20 50 GCGDHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735587327 944672910 /nfs/dbraw/zinc/67/29/10/944672910.db2.gz UMKPVUOBFWGROP-AWEZNQCLSA-N -1 3 399.455 0.912 20 50 GCGDHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000735587327 944672918 /nfs/dbraw/zinc/67/29/18/944672918.db2.gz UMKPVUOBFWGROP-AWEZNQCLSA-N -1 3 399.455 0.912 20 50 GCGDHM CC(C)(C)OC(=O)CSCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735623710 944680410 /nfs/dbraw/zinc/68/04/10/944680410.db2.gz LTQKIPVODQPNBH-UHFFFAOYSA-N -1 3 392.441 0.703 20 50 GCGDHM CC(C)(C)OC(=O)CSCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735623710 944680419 /nfs/dbraw/zinc/68/04/19/944680419.db2.gz LTQKIPVODQPNBH-UHFFFAOYSA-N -1 3 392.441 0.703 20 50 GCGDHM CC(C)(C)OC(=O)N1CC(=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735624765 944682012 /nfs/dbraw/zinc/68/20/12/944682012.db2.gz WLJPDRIATHZPEE-UHFFFAOYSA-N -1 3 387.400 0.968 20 50 GCGDHM CC(C)(C)OC(=O)NNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735639430 944682060 /nfs/dbraw/zinc/68/20/60/944682060.db2.gz GYLINJRRHZWBLO-UHFFFAOYSA-N -1 3 385.388 0.804 20 50 GCGDHM CC(C)(C)OC(=O)NNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735639430 944682063 /nfs/dbraw/zinc/68/20/63/944682063.db2.gz GYLINJRRHZWBLO-UHFFFAOYSA-N -1 3 385.388 0.804 20 50 GCGDHM CC(C)(C)c1noc(OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000735655412 944683666 /nfs/dbraw/zinc/68/36/66/944683666.db2.gz OGCUTBNNWAHKLV-UHFFFAOYSA-N -1 3 386.372 0.387 20 50 GCGDHM CC(C)(C)c1noc(OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000735655412 944683678 /nfs/dbraw/zinc/68/36/78/944683678.db2.gz OGCUTBNNWAHKLV-UHFFFAOYSA-N -1 3 386.372 0.387 20 50 GCGDHM CC(C)CC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000735757322 944698406 /nfs/dbraw/zinc/69/84/06/944698406.db2.gz ATWAXBJMTXGALT-OAHLLOKOSA-N -1 3 387.444 0.815 20 50 GCGDHM CC(C)CC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000735757322 944698415 /nfs/dbraw/zinc/69/84/15/944698415.db2.gz ATWAXBJMTXGALT-OAHLLOKOSA-N -1 3 387.444 0.815 20 50 GCGDHM CC(C)CS(=O)(=O)CCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735849442 944706968 /nfs/dbraw/zinc/70/69/68/944706968.db2.gz IWRYWALFCRCCKM-UHFFFAOYSA-N -1 3 380.430 0.089 20 50 GCGDHM CC(C)CS(=O)(=O)CCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735849442 944706973 /nfs/dbraw/zinc/70/69/73/944706973.db2.gz IWRYWALFCRCCKM-UHFFFAOYSA-N -1 3 380.430 0.089 20 50 GCGDHM CC(C)c1nc(C#N)c(NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000735938544 944715948 /nfs/dbraw/zinc/71/59/48/944715948.db2.gz ABNGNYMNAYEJKA-UHFFFAOYSA-N -1 3 395.383 0.723 20 50 GCGDHM CC(C)c1nc(C#N)c(NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735938544 944715962 /nfs/dbraw/zinc/71/59/62/944715962.db2.gz ABNGNYMNAYEJKA-UHFFFAOYSA-N -1 3 395.383 0.723 20 50 GCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000736166937 944751102 /nfs/dbraw/zinc/75/11/02/944751102.db2.gz BCGSDJJYZBAUSG-BDJLRTHQSA-N -1 3 394.391 0.785 20 50 GCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=S)NCC1CCC1 ZINC000736167604 944751572 /nfs/dbraw/zinc/75/15/72/944751572.db2.gz FFRYXZBRJCZKPI-SNVBAGLBSA-N -1 3 375.458 0.929 20 50 GCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C ZINC000736162205 944751770 /nfs/dbraw/zinc/75/17/70/944751770.db2.gz BKGZWOGKJKGMOH-DGCLKSJQSA-N -1 3 394.457 0.126 20 50 GCGDHM C[C@@H](Oc1cccnc1)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736188058 944757987 /nfs/dbraw/zinc/75/79/87/944757987.db2.gz HSJGMQBQYRPZCA-LLVKDONJSA-N -1 3 383.368 0.255 20 50 GCGDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736222859 944768621 /nfs/dbraw/zinc/76/86/21/944768621.db2.gz GPRSPHPHEJQEHW-LIOSHXBBSA-N -1 3 377.430 0.062 20 50 GCGDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736222859 944768626 /nfs/dbraw/zinc/76/86/26/944768626.db2.gz GPRSPHPHEJQEHW-LIOSHXBBSA-N -1 3 377.430 0.062 20 50 GCGDHM CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736304147 944794902 /nfs/dbraw/zinc/79/49/02/944794902.db2.gz NSYIMTCBQCGWCE-LBPRGKRZSA-N -1 3 391.457 0.276 20 50 GCGDHM CCC(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736304147 944794911 /nfs/dbraw/zinc/79/49/11/944794911.db2.gz NSYIMTCBQCGWCE-LBPRGKRZSA-N -1 3 391.457 0.276 20 50 GCGDHM CCC(CC)N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000736345847 944804243 /nfs/dbraw/zinc/80/42/43/944804243.db2.gz MNLKPNGYCPXVHV-ZDUSSCGKSA-N -1 3 385.428 0.665 20 50 GCGDHM CCC(CC)N1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000736345847 944804246 /nfs/dbraw/zinc/80/42/46/944804246.db2.gz MNLKPNGYCPXVHV-ZDUSSCGKSA-N -1 3 385.428 0.665 20 50 GCGDHM CCOC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736601234 944851192 /nfs/dbraw/zinc/85/11/92/944851192.db2.gz UFKAWIQETHKNKW-GFCCVEGCSA-N -1 3 375.389 0.398 20 50 GCGDHM CCOC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736601234 944851200 /nfs/dbraw/zinc/85/12/00/944851200.db2.gz UFKAWIQETHKNKW-GFCCVEGCSA-N -1 3 375.389 0.398 20 50 GCGDHM CCOC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736592972 944851217 /nfs/dbraw/zinc/85/12/17/944851217.db2.gz FYQVNLVXGHYVQO-SNVBAGLBSA-N -1 3 392.441 0.703 20 50 GCGDHM CCOC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736592972 944851223 /nfs/dbraw/zinc/85/12/23/944851223.db2.gz FYQVNLVXGHYVQO-SNVBAGLBSA-N -1 3 392.441 0.703 20 50 GCGDHM CCN1C(=S)N=NC1CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736714443 944877557 /nfs/dbraw/zinc/87/75/57/944877557.db2.gz RPHBOFQEVBIBIC-VZUCSPMQSA-N -1 3 398.456 0.637 20 50 GCGDHM CCN1C(=S)N=NC1CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736714443 944877561 /nfs/dbraw/zinc/87/75/61/944877561.db2.gz RPHBOFQEVBIBIC-VZUCSPMQSA-N -1 3 398.456 0.637 20 50 GCGDHM CN(C)c1cc(C(=O)NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)ccn1 ZINC000736770916 944885924 /nfs/dbraw/zinc/88/59/24/944885924.db2.gz UJIJMEPMLYZTSU-UHFFFAOYSA-N -1 3 376.384 0.739 20 50 GCGDHM CN(C)c1cc(C(=O)NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)ccn1 ZINC000736770916 944885950 /nfs/dbraw/zinc/88/59/50/944885950.db2.gz UJIJMEPMLYZTSU-UHFFFAOYSA-N -1 3 376.384 0.739 20 50 GCGDHM CN(C)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736771777 944888347 /nfs/dbraw/zinc/88/83/47/944888347.db2.gz RMIIDCKVPNUDDL-GFCCVEGCSA-N -1 3 396.498 0.451 20 50 GCGDHM CN(C)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736771777 944888354 /nfs/dbraw/zinc/88/83/54/944888354.db2.gz RMIIDCKVPNUDDL-GFCCVEGCSA-N -1 3 396.498 0.451 20 50 GCGDHM CN(C)c1nccc(=NNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000736779403 944888638 /nfs/dbraw/zinc/88/86/38/944888638.db2.gz NDYUJJTWEOAVHP-CQSZACIVSA-N -1 3 394.443 0.835 20 50 GCGDHM CN(C)c1ncccc1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736779387 944889447 /nfs/dbraw/zinc/88/94/47/944889447.db2.gz NCNSLOQJMNUFND-UHFFFAOYSA-N -1 3 381.400 0.472 20 50 GCGDHM CN(C)c1ncccc1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736779387 944889451 /nfs/dbraw/zinc/88/94/51/944889451.db2.gz NCNSLOQJMNUFND-UHFFFAOYSA-N -1 3 381.400 0.472 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000736784144 944891637 /nfs/dbraw/zinc/89/16/37/944891637.db2.gz RQBQVEMSDBSUNT-UHFFFAOYSA-N -1 3 375.389 0.495 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000736784144 944891648 /nfs/dbraw/zinc/89/16/48/944891648.db2.gz RQBQVEMSDBSUNT-UHFFFAOYSA-N -1 3 375.389 0.495 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736893619 944906154 /nfs/dbraw/zinc/90/61/54/944906154.db2.gz ADCXTHKHKPTFOM-HOTGVXAUSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736893619 944906163 /nfs/dbraw/zinc/90/61/63/944906163.db2.gz ADCXTHKHKPTFOM-HOTGVXAUSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736935710 944913584 /nfs/dbraw/zinc/91/35/84/944913584.db2.gz KUZLFLUTKCPBHR-LBPRGKRZSA-N -1 3 375.389 0.398 20 50 GCGDHM COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736935710 944913589 /nfs/dbraw/zinc/91/35/89/944913589.db2.gz KUZLFLUTKCPBHR-LBPRGKRZSA-N -1 3 375.389 0.398 20 50 GCGDHM COC(=O)N1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736934911 944914151 /nfs/dbraw/zinc/91/41/51/944914151.db2.gz FKJVMNHKPRHARD-GUNGLEHYSA-N -1 3 398.427 0.768 20 50 GCGDHM COC(=O)N1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736934911 944914167 /nfs/dbraw/zinc/91/41/67/944914167.db2.gz FKJVMNHKPRHARD-GUNGLEHYSA-N -1 3 398.427 0.768 20 50 GCGDHM COC(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736937507 944914318 /nfs/dbraw/zinc/91/43/18/944914318.db2.gz WAJUOJAYPYHYTF-GFCCVEGCSA-N -1 3 388.388 0.042 20 50 GCGDHM COC(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736937507 944914324 /nfs/dbraw/zinc/91/43/24/944914324.db2.gz WAJUOJAYPYHYTF-GFCCVEGCSA-N -1 3 388.388 0.042 20 50 GCGDHM COc1cc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1O ZINC000737045833 944939591 /nfs/dbraw/zinc/93/95/91/944939591.db2.gz PDUCNNJNSUBRFJ-UHFFFAOYSA-N -1 3 383.368 0.725 20 50 GCGDHM COc1cc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1O ZINC000737045833 944939596 /nfs/dbraw/zinc/93/95/96/944939596.db2.gz PDUCNNJNSUBRFJ-UHFFFAOYSA-N -1 3 383.368 0.725 20 50 GCGDHM COc1ccc(C=NNC(=O)C=C2CC(=O)NC(=S)N2)cc1-c1nnn[n-]1 ZINC000737082509 944954259 /nfs/dbraw/zinc/95/42/59/944954259.db2.gz WKYPYZZMYUHSAB-UHFFFAOYSA-N -1 3 386.397 0.352 20 50 GCGDHM COc1ccc(C=NNC(=O)C=C2CC(=O)NC(=S)N2)cc1-c1nn[n-]n1 ZINC000737082509 944954264 /nfs/dbraw/zinc/95/42/64/944954264.db2.gz WKYPYZZMYUHSAB-UHFFFAOYSA-N -1 3 386.397 0.352 20 50 GCGDHM COc1cccc(COCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737133238 944965359 /nfs/dbraw/zinc/96/53/59/944965359.db2.gz YSQLKDFYOMHQEJ-UHFFFAOYSA-N -1 3 382.380 0.853 20 50 GCGDHM COc1cccc(COCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737133238 944965366 /nfs/dbraw/zinc/96/53/66/944965366.db2.gz YSQLKDFYOMHQEJ-UHFFFAOYSA-N -1 3 382.380 0.853 20 50 GCGDHM COc1ccccc1C(=O)NNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737138235 944965877 /nfs/dbraw/zinc/96/58/77/944965877.db2.gz LZNPXIYAEMIEFI-UHFFFAOYSA-N -1 3 397.399 0.326 20 50 GCGDHM COc1ccccc1C(=O)NNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737138235 944965885 /nfs/dbraw/zinc/96/58/85/944965885.db2.gz LZNPXIYAEMIEFI-UHFFFAOYSA-N -1 3 397.399 0.326 20 50 GCGDHM COc1ccccc1OCC(=O)NN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737150956 944969397 /nfs/dbraw/zinc/96/93/97/944969397.db2.gz CFINBUCPUNTZBE-MRXNPFEDSA-N -1 3 397.395 0.102 20 50 GCGDHM COc1ccccc1OCC(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737150956 944969405 /nfs/dbraw/zinc/96/94/05/944969405.db2.gz CFINBUCPUNTZBE-MRXNPFEDSA-N -1 3 397.395 0.102 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCOC[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000737211610 944986307 /nfs/dbraw/zinc/98/63/07/944986307.db2.gz DOMWZDZSKKCMBU-UVYNJXETSA-N -1 3 399.455 0.980 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCOC[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000737211610 944986314 /nfs/dbraw/zinc/98/63/14/944986314.db2.gz DOMWZDZSKKCMBU-UVYNJXETSA-N -1 3 399.455 0.980 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCN2CCOC2=O)cc(-c2nnn[n-]2)n1C ZINC000737211554 944987614 /nfs/dbraw/zinc/98/76/14/944987614.db2.gz CVMVQAFLJSPGPR-JYRVWZFOSA-N -1 3 385.384 0.806 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCN2CCOC2=O)cc(-c2nn[n-]n2)n1C ZINC000737211554 944987621 /nfs/dbraw/zinc/98/76/21/944987621.db2.gz CVMVQAFLJSPGPR-JYRVWZFOSA-N -1 3 385.384 0.806 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2ccn(CCC(N)=O)n2)cc(-c2nn[n-]n2)n1C ZINC000737212076 944990401 /nfs/dbraw/zinc/99/04/01/944990401.db2.gz HOESITCRAAPPGL-KPKJPENVSA-N -1 3 394.399 0.131 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCN2CCCC2=O)cc(-c2nnn[n-]2)n1C ZINC000737212053 944990938 /nfs/dbraw/zinc/99/09/38/944990938.db2.gz HIOLMVSHADXUTN-NTEUORMPSA-N -1 3 383.412 0.976 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCN2CCCC2=O)cc(-c2nn[n-]n2)n1C ZINC000737212053 944990947 /nfs/dbraw/zinc/99/09/47/944990947.db2.gz HIOLMVSHADXUTN-NTEUORMPSA-N -1 3 383.412 0.976 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2CCO[C@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212058 944991168 /nfs/dbraw/zinc/99/11/68/944991168.db2.gz HITLUVHZSKZAMH-PWDRSIHYSA-N -1 3 384.444 0.258 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](n3cncn3)C2)cc(-c2nn[n-]n2)n1C ZINC000737212038 944991341 /nfs/dbraw/zinc/99/13/41/944991341.db2.gz GYCMXQOESNNOMZ-XXUROBRHSA-N -1 3 392.427 0.876 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nncn2C(C)C)cc(-c2nnn[n-]2)n1C ZINC000737212135 944991350 /nfs/dbraw/zinc/99/13/50/944991350.db2.gz HWBLJNZUXFBDNL-WLRTZDKTSA-N -1 3 380.416 0.909 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nncn2C(C)C)cc(-c2nn[n-]n2)n1C ZINC000737212135 944991351 /nfs/dbraw/zinc/99/13/51/944991351.db2.gz HWBLJNZUXFBDNL-WLRTZDKTSA-N -1 3 380.416 0.909 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000737212541 944992458 /nfs/dbraw/zinc/99/24/58/944992458.db2.gz KUPYRLPYMOYARV-OEYQNCTESA-N -1 3 398.471 0.646 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2(C(N)=O)CCCC2)cc(-c2nnn[n-]2)n1C ZINC000737212385 944992478 /nfs/dbraw/zinc/99/24/78/944992478.db2.gz IPIUOXGUZLMFLL-QPEQYQDCSA-N -1 3 382.428 0.583 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2(C(N)=O)CCCC2)cc(-c2nn[n-]n2)n1C ZINC000737212385 944992484 /nfs/dbraw/zinc/99/24/84/944992484.db2.gz IPIUOXGUZLMFLL-QPEQYQDCSA-N -1 3 382.428 0.583 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000737212539 944993551 /nfs/dbraw/zinc/99/35/51/944993551.db2.gz KUPYRLPYMOYARV-LINIDBDUSA-N -1 3 398.471 0.646 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(-c2nnn[n-]2)n1C ZINC000737212778 944996274 /nfs/dbraw/zinc/99/62/74/944996274.db2.gz MNWXCZDWWBLGIU-VFXTVZEFSA-N -1 3 391.439 0.619 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(-c2nn[n-]n2)n1C ZINC000737212778 944996277 /nfs/dbraw/zinc/99/62/77/944996277.db2.gz MNWXCZDWWBLGIU-VFXTVZEFSA-N -1 3 391.439 0.619 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc(-c2nnn[n-]2)n1C ZINC000737213003 944999085 /nfs/dbraw/zinc/99/90/85/944999085.db2.gz OWODKTXQKMULLS-KQMCEHGWSA-N -1 3 382.428 0.581 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc(-c2nn[n-]n2)n1C ZINC000737213003 944999091 /nfs/dbraw/zinc/99/90/91/944999091.db2.gz OWODKTXQKMULLS-KQMCEHGWSA-N -1 3 382.428 0.581 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc(-c2nnn[n-]2)n1C ZINC000737213002 944999523 /nfs/dbraw/zinc/99/95/23/944999523.db2.gz OWODKTXQKMULLS-FJEWAWTASA-N -1 3 382.428 0.581 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc(-c2nn[n-]n2)n1C ZINC000737213002 944999527 /nfs/dbraw/zinc/99/95/27/944999527.db2.gz OWODKTXQKMULLS-FJEWAWTASA-N -1 3 382.428 0.581 20 50 GCGDHM Cc1cc(C)n2nc(NC(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)nc2n1 ZINC000737256841 945022129 /nfs/dbraw/zinc/02/21/29/945022129.db2.gz OATKSRNKTRHIQM-UHFFFAOYSA-N -1 3 393.371 0.388 20 50 GCGDHM Cc1cc(C)n2nc(NC(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)nc2n1 ZINC000737256841 945022136 /nfs/dbraw/zinc/02/21/36/945022136.db2.gz OATKSRNKTRHIQM-UHFFFAOYSA-N -1 3 393.371 0.388 20 50 GCGDHM Cc1ccc2ncc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)c(=O)n2c1 ZINC000737373338 945051770 /nfs/dbraw/zinc/05/17/70/945051770.db2.gz FCRWFOJRGNAMRC-UHFFFAOYSA-N -1 3 390.363 0.258 20 50 GCGDHM CC(C)n1nccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820219361 945387477 /nfs/dbraw/zinc/38/74/77/945387477.db2.gz FFLFVQGHYZBVLY-UHFFFAOYSA-N -1 3 398.383 0.262 20 50 GCGDHM CC(C)n1nccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820219361 945387488 /nfs/dbraw/zinc/38/74/88/945387488.db2.gz FFLFVQGHYZBVLY-UHFFFAOYSA-N -1 3 398.383 0.262 20 50 GCGDHM CC(C)c1ocnc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820211788 945387663 /nfs/dbraw/zinc/38/76/63/945387663.db2.gz XMMWJDQMCCTFBW-UHFFFAOYSA-N -1 3 399.367 0.596 20 50 GCGDHM CC(C)c1ocnc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820211788 945387674 /nfs/dbraw/zinc/38/76/74/945387674.db2.gz XMMWJDQMCCTFBW-UHFFFAOYSA-N -1 3 399.367 0.596 20 50 GCGDHM C[C@@H](CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC(=O)OC(C)(C)C ZINC000820225318 945389424 /nfs/dbraw/zinc/38/94/24/945389424.db2.gz GFHDYPDTIVAIBP-JTQLQIEISA-N -1 3 389.416 0.931 20 50 GCGDHM C[C@@H](CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC(=O)OC(C)(C)C ZINC000820225318 945389438 /nfs/dbraw/zinc/38/94/38/945389438.db2.gz GFHDYPDTIVAIBP-JTQLQIEISA-N -1 3 389.416 0.931 20 50 GCGDHM C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)CC1(C)OCCO1 ZINC000820269967 945401004 /nfs/dbraw/zinc/40/10/04/945401004.db2.gz QTBZJBOQAUJDEB-NSHDSACASA-N -1 3 389.416 0.600 20 50 GCGDHM C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)CC1(C)OCCO1 ZINC000820269967 945401013 /nfs/dbraw/zinc/40/10/13/945401013.db2.gz QTBZJBOQAUJDEB-NSHDSACASA-N -1 3 389.416 0.600 20 50 GCGDHM C[C@H](CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000820268364 945401289 /nfs/dbraw/zinc/40/12/89/945401289.db2.gz AKTMALGDOKCXCV-GFCCVEGCSA-N -1 3 396.411 0.775 20 50 GCGDHM C[C@H](CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000820268364 945401297 /nfs/dbraw/zinc/40/12/97/945401297.db2.gz AKTMALGDOKCXCV-GFCCVEGCSA-N -1 3 396.411 0.775 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC000820372548 945431721 /nfs/dbraw/zinc/43/17/21/945431721.db2.gz AQKUQTJCDZBHGA-JTQLQIEISA-N -1 3 385.388 0.071 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC000820372548 945431731 /nfs/dbraw/zinc/43/17/31/945431731.db2.gz AQKUQTJCDZBHGA-JTQLQIEISA-N -1 3 385.388 0.071 20 50 GCGDHM CC1(C)C(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000820585401 945492317 /nfs/dbraw/zinc/49/23/17/945492317.db2.gz MUMUXULRKRDYDK-UHFFFAOYSA-N -1 3 386.412 0.853 20 50 GCGDHM CC1(C)C(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000820585401 945492324 /nfs/dbraw/zinc/49/23/24/945492324.db2.gz MUMUXULRKRDYDK-UHFFFAOYSA-N -1 3 386.412 0.853 20 50 GCGDHM C[C@@H]1CC/C(=C\C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820678880 945523883 /nfs/dbraw/zinc/52/38/83/945523883.db2.gz ZVUHFSAZMUXGSM-OYGDSYQHSA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@@H]1CC/C(=C\C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820678880 945523890 /nfs/dbraw/zinc/52/38/90/945523890.db2.gz ZVUHFSAZMUXGSM-OYGDSYQHSA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@H]1CC/C(=C/C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820678879 945523919 /nfs/dbraw/zinc/52/39/19/945523919.db2.gz ZVUHFSAZMUXGSM-LCFDYFRESA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@H]1CC/C(=C/C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820678879 945523928 /nfs/dbraw/zinc/52/39/28/945523928.db2.gz ZVUHFSAZMUXGSM-LCFDYFRESA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820690531 945527446 /nfs/dbraw/zinc/52/74/46/945527446.db2.gz NLKYXAFQSYAVLR-RISCZKNCSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820690531 945527452 /nfs/dbraw/zinc/52/74/52/945527452.db2.gz NLKYXAFQSYAVLR-RISCZKNCSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000820742976 945543001 /nfs/dbraw/zinc/54/30/01/945543001.db2.gz ORTDEAIDYSPUSS-KWQFWETISA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000820742976 945543008 /nfs/dbraw/zinc/54/30/08/945543008.db2.gz ORTDEAIDYSPUSS-KWQFWETISA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C(F)(F)F)O1 ZINC000820744359 945545442 /nfs/dbraw/zinc/54/54/42/945545442.db2.gz YFUNYXPXDBEXDE-KCJUWKMLSA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C(F)(F)F)O1 ZINC000820744359 945545447 /nfs/dbraw/zinc/54/54/47/945545447.db2.gz YFUNYXPXDBEXDE-KCJUWKMLSA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@H]1CN(CCC(=O)N[N-]C(=O)c2cc(-c3nn[nH]n3)cs2)C[C@H](C)O1 ZINC000820752312 945548812 /nfs/dbraw/zinc/54/88/12/945548812.db2.gz LRMZXAITGJSNEQ-UWVGGRQHSA-N -1 3 379.446 0.189 20 50 GCGDHM CCCCO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821071580 945628588 /nfs/dbraw/zinc/62/85/88/945628588.db2.gz JIRDMBNTALGYHV-NSHDSACASA-N -1 3 390.400 0.376 20 50 GCGDHM CCCCO[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821071580 945628595 /nfs/dbraw/zinc/62/85/95/945628595.db2.gz JIRDMBNTALGYHV-NSHDSACASA-N -1 3 390.400 0.376 20 50 GCGDHM CCN(CC)C(=O)CCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821175630 945647059 /nfs/dbraw/zinc/64/70/59/945647059.db2.gz QKNTVEHXQRJRGJ-UHFFFAOYSA-N -1 3 389.416 0.042 20 50 GCGDHM CCc1n[nH]c(=O)c(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1CC ZINC000821504196 945709796 /nfs/dbraw/zinc/70/97/96/945709796.db2.gz CYQNOVMJKFOLJT-UHFFFAOYSA-N -1 3 382.384 0.562 20 50 GCGDHM CCc1n[nH]c(=O)c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1CC ZINC000821504196 945709806 /nfs/dbraw/zinc/70/98/06/945709806.db2.gz CYQNOVMJKFOLJT-UHFFFAOYSA-N -1 3 382.384 0.562 20 50 GCGDHM CN(C)C(=O)c1ccc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)[nH]1 ZINC000821577904 945720172 /nfs/dbraw/zinc/72/01/72/945720172.db2.gz CRMBLMHHHUKDIM-UHFFFAOYSA-N -1 3 382.384 0.426 20 50 GCGDHM CN(C)C(=O)c1ccc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)[nH]1 ZINC000821577904 945720176 /nfs/dbraw/zinc/72/01/76/945720176.db2.gz CRMBLMHHHUKDIM-UHFFFAOYSA-N -1 3 382.384 0.426 20 50 GCGDHM CN(C)N(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000821588601 945727881 /nfs/dbraw/zinc/72/78/81/945727881.db2.gz ZWDYGYUPOVLIDY-SECBINFHSA-N -1 3 386.384 0.251 20 50 GCGDHM CN(C)N(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000821588601 945727888 /nfs/dbraw/zinc/72/78/88/945727888.db2.gz ZWDYGYUPOVLIDY-SECBINFHSA-N -1 3 386.384 0.251 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccc(F)cc1 ZINC000821593646 945729064 /nfs/dbraw/zinc/72/90/64/945729064.db2.gz CVRHXMDAFOIVHD-UHFFFAOYSA-N -1 3 383.387 0.899 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccc(F)cc1 ZINC000821593646 945729067 /nfs/dbraw/zinc/72/90/67/945729067.db2.gz CVRHXMDAFOIVHD-UHFFFAOYSA-N -1 3 383.387 0.899 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000821594098 945733361 /nfs/dbraw/zinc/73/33/61/945733361.db2.gz YNSHUXWZIDHAMS-UHFFFAOYSA-N -1 3 396.367 0.672 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000821594098 945733364 /nfs/dbraw/zinc/73/33/64/945733364.db2.gz YNSHUXWZIDHAMS-UHFFFAOYSA-N -1 3 396.367 0.672 20 50 GCGDHM COC(=O)[C@@H](C)CSCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821638807 945765681 /nfs/dbraw/zinc/76/56/81/945765681.db2.gz ILEATMPZKRKXGD-VIFPVBQESA-N -1 3 378.414 0.170 20 50 GCGDHM COC(=O)[C@@H](C)CSCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821638807 945765689 /nfs/dbraw/zinc/76/56/89/945765689.db2.gz ILEATMPZKRKXGD-VIFPVBQESA-N -1 3 378.414 0.170 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644472 945768018 /nfs/dbraw/zinc/76/80/18/945768018.db2.gz ALLCGOQTIIAINX-AWEZNQCLSA-N -1 3 397.351 0.924 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644472 945768021 /nfs/dbraw/zinc/76/80/21/945768021.db2.gz ALLCGOQTIIAINX-AWEZNQCLSA-N -1 3 397.351 0.924 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000821645175 945770224 /nfs/dbraw/zinc/77/02/24/945770224.db2.gz SRBDZSCDTJSVOB-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000821645175 945770227 /nfs/dbraw/zinc/77/02/27/945770227.db2.gz SRBDZSCDTJSVOB-OAHLLOKOSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@]1(C)CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821651628 945777426 /nfs/dbraw/zinc/77/74/26/945777426.db2.gz CQQLSZNHUFJLBX-UTGRISEESA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)[C@@]1(C)CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821651628 945777432 /nfs/dbraw/zinc/77/74/32/945777432.db2.gz CQQLSZNHUFJLBX-UTGRISEESA-N -1 3 383.412 0.832 20 50 GCGDHM COC(C)(C)C[C@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821672459 945790314 /nfs/dbraw/zinc/79/03/14/945790314.db2.gz LGFOPSFBCYODAD-NSHDSACASA-N -1 3 391.432 0.780 20 50 GCGDHM CO[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000821678577 945799464 /nfs/dbraw/zinc/79/94/64/945799464.db2.gz POAMUUBMVVJYHB-QWHCGFSZSA-N -1 3 389.416 0.389 20 50 GCGDHM COCCC1(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821686289 945811427 /nfs/dbraw/zinc/81/14/27/945811427.db2.gz IPGQMVSZQNECJL-UHFFFAOYSA-N -1 3 389.416 0.393 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821691766 945819133 /nfs/dbraw/zinc/81/91/33/945819133.db2.gz CUBOBVLVLRHAQQ-WDEREUQCSA-N -1 3 377.405 0.310 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821691766 945819138 /nfs/dbraw/zinc/81/91/38/945819138.db2.gz CUBOBVLVLRHAQQ-WDEREUQCSA-N -1 3 377.405 0.310 20 50 GCGDHM COCCOC[C@@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821692166 945821884 /nfs/dbraw/zinc/82/18/84/945821884.db2.gz PUPDMSOOUUJTED-MEFZMRIGSA-N -1 3 399.455 0.932 20 50 GCGDHM COCCOC[C@@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821692166 945821898 /nfs/dbraw/zinc/82/18/98/945821898.db2.gz PUPDMSOOUUJTED-MEFZMRIGSA-N -1 3 399.455 0.932 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821692375 945824119 /nfs/dbraw/zinc/82/41/19/945824119.db2.gz VXEWPBBBONJIKZ-QMMMGPOBSA-N -1 3 399.864 0.889 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821692375 945824125 /nfs/dbraw/zinc/82/41/25/945824125.db2.gz VXEWPBBBONJIKZ-QMMMGPOBSA-N -1 3 399.864 0.889 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821772674 945857538 /nfs/dbraw/zinc/85/75/38/945857538.db2.gz KUIXVJXKVQQXPD-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821772674 945857549 /nfs/dbraw/zinc/85/75/49/945857549.db2.gz KUIXVJXKVQQXPD-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM CSC[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821956321 945909951 /nfs/dbraw/zinc/90/99/51/945909951.db2.gz MCHFSOOGJYKREF-VIFPVBQESA-N -1 3 378.414 0.170 20 50 GCGDHM CSC[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821956321 945909959 /nfs/dbraw/zinc/90/99/59/945909959.db2.gz MCHFSOOGJYKREF-VIFPVBQESA-N -1 3 378.414 0.170 20 50 GCGDHM CSC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821956320 945910387 /nfs/dbraw/zinc/91/03/87/945910387.db2.gz MCHFSOOGJYKREF-SECBINFHSA-N -1 3 378.414 0.170 20 50 GCGDHM CSC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821956320 945910392 /nfs/dbraw/zinc/91/03/92/945910392.db2.gz MCHFSOOGJYKREF-SECBINFHSA-N -1 3 378.414 0.170 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](CC(N)=O)C2)cc(-c2nnn[n-]2)n1C ZINC000822027494 945934543 /nfs/dbraw/zinc/93/45/43/945934543.db2.gz HISAIMBQIKCIIS-AISSWFOISA-N -1 3 382.428 0.535 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](CC(N)=O)C2)cc(-c2nn[n-]n2)n1C ZINC000822027494 945934550 /nfs/dbraw/zinc/93/45/50/945934550.db2.gz HISAIMBQIKCIIS-AISSWFOISA-N -1 3 382.428 0.535 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc(-c2nnn[n-]2)n1C ZINC000822027666 945936905 /nfs/dbraw/zinc/93/69/05/945936905.db2.gz IUYQHZLVQJCDLB-ZBQKXELDSA-N -1 3 396.411 0.724 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc(-c2nn[n-]n2)n1C ZINC000822027666 945936913 /nfs/dbraw/zinc/93/69/13/945936913.db2.gz IUYQHZLVQJCDLB-ZBQKXELDSA-N -1 3 396.411 0.724 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(C(N)=O)o2)cc(-c2nnn[n-]2)n1C ZINC000822028205 945941250 /nfs/dbraw/zinc/94/12/50/945941250.db2.gz MHXPSBCNMUYDCT-VZUCSPMQSA-N -1 3 380.368 0.429 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(C(N)=O)o2)cc(-c2nn[n-]n2)n1C ZINC000822028205 945941253 /nfs/dbraw/zinc/94/12/53/945941253.db2.gz MHXPSBCNMUYDCT-VZUCSPMQSA-N -1 3 380.368 0.429 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](OCCO)C2)cc(-c2nnn[n-]2)n1C ZINC000822028222 945941661 /nfs/dbraw/zinc/94/16/61/945941661.db2.gz MIUCPQSWVYETIR-NHXNDTTKSA-N -1 3 385.428 0.421 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@H](OCCO)C2)cc(-c2nn[n-]n2)n1C ZINC000822028222 945941666 /nfs/dbraw/zinc/94/16/66/945941666.db2.gz MIUCPQSWVYETIR-NHXNDTTKSA-N -1 3 385.428 0.421 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCn2ccc([N+](=O)[O-])n2)cc(-c2nn[n-]n2)n1C ZINC000822028789 945946687 /nfs/dbraw/zinc/94/66/87/945946687.db2.gz SEKZLZFLEOLBSU-KPKJPENVSA-N -1 3 397.355 0.769 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C3CC3)C(=O)C2)cc(-c2nnn[n-]2)n1C ZINC000822028782 945947739 /nfs/dbraw/zinc/94/77/39/945947739.db2.gz SEHOVTJKRLFNBP-NTUHNPAUSA-N -1 3 380.412 0.254 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(C3CC3)C(=O)C2)cc(-c2nn[n-]n2)n1C ZINC000822028782 945947746 /nfs/dbraw/zinc/94/77/46/945947746.db2.gz SEHOVTJKRLFNBP-NTUHNPAUSA-N -1 3 380.412 0.254 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000822028828 945948587 /nfs/dbraw/zinc/94/85/87/945948587.db2.gz SKRWMZBCGGEPON-BLXFFLACSA-N -1 3 396.455 0.936 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000822028828 945948595 /nfs/dbraw/zinc/94/85/95/945948595.db2.gz SKRWMZBCGGEPON-BLXFFLACSA-N -1 3 396.455 0.936 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCCS2(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822029017 945950234 /nfs/dbraw/zinc/95/02/34/945950234.db2.gz UKGAHTMWUPCBRI-TZQNSNDFSA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCCS2(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822029017 945950240 /nfs/dbraw/zinc/95/02/40/945950240.db2.gz UKGAHTMWUPCBRI-TZQNSNDFSA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)Cc2ccncc2)cc(-c2nn[n-]n2)n1C ZINC000822029058 945951706 /nfs/dbraw/zinc/95/17/06/945951706.db2.gz UTWLLDAWFXESRZ-ZSOIEALJSA-N -1 3 391.395 0.206 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCO[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822029091 945951920 /nfs/dbraw/zinc/95/19/20/945951920.db2.gz VNSVGUQPQUHEAJ-UJMHRVFCSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCO[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822029091 945951929 /nfs/dbraw/zinc/95/19/29/945951929.db2.gz VNSVGUQPQUHEAJ-UJMHRVFCSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)S(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822029087 945952348 /nfs/dbraw/zinc/95/23/48/945952348.db2.gz VIRBTBCDPQWMFY-WUXMJOGZSA-N -1 3 391.457 0.360 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)S(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822029087 945952357 /nfs/dbraw/zinc/95/23/57/945952357.db2.gz VIRBTBCDPQWMFY-WUXMJOGZSA-N -1 3 391.457 0.360 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822184201 945975376 /nfs/dbraw/zinc/97/53/76/945975376.db2.gz OXHUTWUOYMROCK-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822184201 945975384 /nfs/dbraw/zinc/97/53/84/945975384.db2.gz OXHUTWUOYMROCK-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cc(C)n(CC(=O)NNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822197640 945983554 /nfs/dbraw/zinc/98/35/54/945983554.db2.gz JCJLBRSKQDPWEB-UHFFFAOYSA-N -1 3 398.427 0.685 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822227444 946007647 /nfs/dbraw/zinc/00/76/47/946007647.db2.gz IYUBAKIMKNLCQY-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822227444 946007656 /nfs/dbraw/zinc/00/76/56/946007656.db2.gz IYUBAKIMKNLCQY-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822234915 946021667 /nfs/dbraw/zinc/02/16/67/946021667.db2.gz LJGBSOSAUIPGKL-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822234915 946021678 /nfs/dbraw/zinc/02/16/78/946021678.db2.gz LJGBSOSAUIPGKL-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1F ZINC000822289373 946045624 /nfs/dbraw/zinc/04/56/24/946045624.db2.gz WLWSWYCPAVSANX-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000822289373 946045636 /nfs/dbraw/zinc/04/56/36/946045636.db2.gz WLWSWYCPAVSANX-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1O ZINC000822288942 946046224 /nfs/dbraw/zinc/04/62/24/946046224.db2.gz NTNCXEVNJNQMPT-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000822288942 946046236 /nfs/dbraw/zinc/04/62/36/946046236.db2.gz NTNCXEVNJNQMPT-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1nc(C)c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822427358 946085120 /nfs/dbraw/zinc/08/51/20/946085120.db2.gz KPRZVAFMPWHIMM-UHFFFAOYSA-N -1 3 385.340 0.090 20 50 GCGDHM Cc1nc(C)c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822427358 946085131 /nfs/dbraw/zinc/08/51/31/946085131.db2.gz KPRZVAFMPWHIMM-UHFFFAOYSA-N -1 3 385.340 0.090 20 50 GCGDHM Cc1nc(Cl)cc(NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822449490 946091218 /nfs/dbraw/zinc/09/12/18/946091218.db2.gz BLXCHVMLDCDJNA-UHFFFAOYSA-N -1 3 387.791 0.492 20 50 GCGDHM Cc1nc(Cl)cc(NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822449490 946091232 /nfs/dbraw/zinc/09/12/32/946091232.db2.gz BLXCHVMLDCDJNA-UHFFFAOYSA-N -1 3 387.791 0.492 20 50 GCGDHM Cc1nc2n(n1)CCC[C@H]2NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822463387 946097402 /nfs/dbraw/zinc/09/74/02/946097402.db2.gz PQODMICPVADKHE-GFCCVEGCSA-N -1 3 382.388 0.246 20 50 GCGDHM Cc1nc2n(n1)CCC[C@H]2NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822463387 946097414 /nfs/dbraw/zinc/09/74/14/946097414.db2.gz PQODMICPVADKHE-GFCCVEGCSA-N -1 3 382.388 0.246 20 50 GCGDHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822462656 946098121 /nfs/dbraw/zinc/09/81/21/946098121.db2.gz KUPTXNHUDVWBIM-LBPRGKRZSA-N -1 3 382.388 0.246 20 50 GCGDHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822462656 946098128 /nfs/dbraw/zinc/09/81/28/946098128.db2.gz KUPTXNHUDVWBIM-LBPRGKRZSA-N -1 3 382.388 0.246 20 50 GCGDHM Cc1nc2n(n1)CCN(C(=O)C(C#N)=Cc1cc(-c3nnn[n-]3)n(C)c1C)C2 ZINC000822461852 946098893 /nfs/dbraw/zinc/09/88/93/946098893.db2.gz ATUQZFZDWMPHON-AWNIVKPZSA-N -1 3 378.400 0.363 20 50 GCGDHM Cc1nc2n(n1)CCN(C(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)C2 ZINC000822461852 946098906 /nfs/dbraw/zinc/09/89/06/946098906.db2.gz ATUQZFZDWMPHON-AWNIVKPZSA-N -1 3 378.400 0.363 20 50 GCGDHM Cc1ncccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822472389 946100634 /nfs/dbraw/zinc/10/06/34/946100634.db2.gz QRUZMOQIWHUCKY-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1ncccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822472389 946100639 /nfs/dbraw/zinc/10/06/39/946100639.db2.gz QRUZMOQIWHUCKY-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822491888 946102740 /nfs/dbraw/zinc/10/27/40/946102740.db2.gz IKBGXVUUUFUFRT-SNVBAGLBSA-N -1 3 397.443 0.792 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822491888 946102748 /nfs/dbraw/zinc/10/27/48/946102748.db2.gz IKBGXVUUUFUFRT-SNVBAGLBSA-N -1 3 397.443 0.792 20 50 GCGDHM Cc1noc(C)c1CN(C)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822523748 946113899 /nfs/dbraw/zinc/11/38/99/946113899.db2.gz TVQZDUZRVXSBFC-UHFFFAOYSA-N -1 3 384.400 0.365 20 50 GCGDHM Cc1noc(C)c1CN(C)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822523748 946113906 /nfs/dbraw/zinc/11/39/06/946113906.db2.gz TVQZDUZRVXSBFC-UHFFFAOYSA-N -1 3 384.400 0.365 20 50 GCGDHM Cn1cc(N2CCC[C@@H](NC(=O)NNc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822680822 946155340 /nfs/dbraw/zinc/15/53/40/946155340.db2.gz POTZRSLNZQADKQ-CQSZACIVSA-N -1 3 396.415 0.422 20 50 GCGDHM Cn1cc(N2CCC[C@@H](NC(=O)NNc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822680822 946155347 /nfs/dbraw/zinc/15/53/47/946155347.db2.gz POTZRSLNZQADKQ-CQSZACIVSA-N -1 3 396.415 0.422 20 50 GCGDHM Cn1cc([C@H]2CN(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822674696 946155804 /nfs/dbraw/zinc/15/58/04/946155804.db2.gz ZYDFXZCNPKUJRC-CQSZACIVSA-N -1 3 397.399 0.028 20 50 GCGDHM Cn1cc([C@H]2CN(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822674696 946155809 /nfs/dbraw/zinc/15/58/09/946155809.db2.gz ZYDFXZCNPKUJRC-CQSZACIVSA-N -1 3 397.399 0.028 20 50 GCGDHM Cn1cc(N2CCC[C@H](NC(=O)NNc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822680819 946155820 /nfs/dbraw/zinc/15/58/20/946155820.db2.gz POTZRSLNZQADKQ-AWEZNQCLSA-N -1 3 396.415 0.422 20 50 GCGDHM Cn1cc(N2CCC[C@H](NC(=O)NNc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822680819 946155825 /nfs/dbraw/zinc/15/58/25/946155825.db2.gz POTZRSLNZQADKQ-AWEZNQCLSA-N -1 3 396.415 0.422 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822823092 946196561 /nfs/dbraw/zinc/19/65/61/946196561.db2.gz KWTBDFHOVPNYPP-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822823092 946196571 /nfs/dbraw/zinc/19/65/71/946196571.db2.gz KWTBDFHOVPNYPP-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000822837556 946201546 /nfs/dbraw/zinc/20/15/46/946201546.db2.gz NWGFXDWVPFREAF-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000822837556 946201556 /nfs/dbraw/zinc/20/15/56/946201556.db2.gz NWGFXDWVPFREAF-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM NC(=O)c1ccc(=NNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)[n-]n1 ZINC000822884878 946210920 /nfs/dbraw/zinc/21/09/20/946210920.db2.gz CJUGRWHIPLPYLE-UHFFFAOYSA-N -1 3 397.399 0.448 20 50 GCGDHM O=C(CN1CCC(C(F)(F)F)CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822991833 946250262 /nfs/dbraw/zinc/25/02/62/946250262.db2.gz GZOYDSSAJZGBKE-UHFFFAOYSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(CN1CCC(C(F)(F)F)CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822991833 946250268 /nfs/dbraw/zinc/25/02/68/946250268.db2.gz GZOYDSSAJZGBKE-UHFFFAOYSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(CN1CCC(c2cc[nH]n2)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822993194 946251677 /nfs/dbraw/zinc/25/16/77/946251677.db2.gz QOTGUUMVXWCEQV-UHFFFAOYSA-N -1 3 395.427 0.230 20 50 GCGDHM O=C(CN1CC[C@H]1Cc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822993424 946251834 /nfs/dbraw/zinc/25/18/34/946251834.db2.gz STFDDJCEHPHGML-KRWDZBQOSA-N -1 3 391.435 0.945 20 50 GCGDHM O=C(CN1CC[C@H]1Cc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822993424 946251843 /nfs/dbraw/zinc/25/18/43/946251843.db2.gz STFDDJCEHPHGML-KRWDZBQOSA-N -1 3 391.435 0.945 20 50 GCGDHM O=C(CN1CCC(n2cccn2)CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822993921 946253676 /nfs/dbraw/zinc/25/36/76/946253676.db2.gz ZCCUXKBFVGEREK-UHFFFAOYSA-N -1 3 395.427 0.161 20 50 GCGDHM O=C(CN1CCc2ccccc2C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823002003 946262030 /nfs/dbraw/zinc/26/20/30/946262030.db2.gz RKWPEIQISYXJDF-UHFFFAOYSA-N -1 3 377.408 0.686 20 50 GCGDHM O=C(CN1CCc2ccccc2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823002003 946262042 /nfs/dbraw/zinc/26/20/42/946262042.db2.gz RKWPEIQISYXJDF-UHFFFAOYSA-N -1 3 377.408 0.686 20 50 GCGDHM O=C(CN1CCO[C@@H](c2ccco2)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823001551 946262910 /nfs/dbraw/zinc/26/29/10/946262910.db2.gz MFHMUICQPYONAD-OAHLLOKOSA-N -1 3 397.395 0.294 20 50 GCGDHM O=C(CN1CCO[C@@H](c2ccco2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823001551 946262919 /nfs/dbraw/zinc/26/29/19/946262919.db2.gz MFHMUICQPYONAD-OAHLLOKOSA-N -1 3 397.395 0.294 20 50 GCGDHM O=C(C=Cc1ccccc1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823017700 946269151 /nfs/dbraw/zinc/26/91/51/946269151.db2.gz BZGUETUVXOMERD-WDZFZDKYSA-N -1 3 392.375 0.884 20 50 GCGDHM O=C(C=Cc1ccccc1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823017700 946269163 /nfs/dbraw/zinc/26/91/63/946269163.db2.gz BZGUETUVXOMERD-WDZFZDKYSA-N -1 3 392.375 0.884 20 50 GCGDHM O=C(C=Cc1cccs1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018470 946273844 /nfs/dbraw/zinc/27/38/44/946273844.db2.gz ORSSTJHNQIOARH-SREVYHEPSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(C=Cc1cccs1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018470 946273859 /nfs/dbraw/zinc/27/38/59/946273859.db2.gz ORSSTJHNQIOARH-SREVYHEPSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NNC(=O)c1ccc(Cl)cc1 ZINC000823022205 946279104 /nfs/dbraw/zinc/27/91/04/946279104.db2.gz AMGJFHFMJLBJPV-UHFFFAOYSA-N -1 3 389.759 0.466 20 50 GCGDHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NNC(=O)c1ccc(Cl)cc1 ZINC000823022205 946279118 /nfs/dbraw/zinc/27/91/18/946279118.db2.gz AMGJFHFMJLBJPV-UHFFFAOYSA-N -1 3 389.759 0.466 20 50 GCGDHM O=C(COC(=O)c1cc(C2CC2)[nH]n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027329 946281629 /nfs/dbraw/zinc/28/16/29/946281629.db2.gz REDINQDAXHFSLS-UHFFFAOYSA-N -1 3 396.367 0.085 20 50 GCGDHM O=C(COC(=O)c1cc(C2CC2)[nH]n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027329 946281633 /nfs/dbraw/zinc/28/16/33/946281633.db2.gz REDINQDAXHFSLS-UHFFFAOYSA-N -1 3 396.367 0.085 20 50 GCGDHM O=C(COC(=O)c1cc(Cl)c[nH]1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027688 946283279 /nfs/dbraw/zinc/28/32/79/946283279.db2.gz ZYVPWMYNGOHAGG-UHFFFAOYSA-N -1 3 389.759 0.466 20 50 GCGDHM O=C(COC(=O)c1cc(Cl)c[nH]1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027688 946283290 /nfs/dbraw/zinc/28/32/90/946283290.db2.gz ZYVPWMYNGOHAGG-UHFFFAOYSA-N -1 3 389.759 0.466 20 50 GCGDHM O=C(COC(=O)c1ccnc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027672 946283447 /nfs/dbraw/zinc/28/34/47/946283447.db2.gz ZRLOJHAEBOXUJZ-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COC(=O)c1ccnc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027672 946283458 /nfs/dbraw/zinc/28/34/58/946283458.db2.gz ZRLOJHAEBOXUJZ-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cn1cc2ccccc2n1 ZINC000823036768 946285132 /nfs/dbraw/zinc/28/51/32/946285132.db2.gz LASIQIBUGPYYQF-UHFFFAOYSA-N -1 3 392.379 0.443 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000823036776 946285271 /nfs/dbraw/zinc/28/52/71/946285271.db2.gz LKIMTZHJVWGYRP-LBPRGKRZSA-N -1 3 382.384 0.236 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@@H]1CCCSC1 ZINC000823036947 946287534 /nfs/dbraw/zinc/28/75/34/946287534.db2.gz NKEPCDDAUDADIQ-LLVKDONJSA-N -1 3 377.430 0.472 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@H]1CCC(F)(F)C1 ZINC000823037134 946287866 /nfs/dbraw/zinc/28/78/66/946287866.db2.gz QRJYOENYGPCWEX-JTQLQIEISA-N -1 3 381.343 0.764 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NC[C@H]1CCCS1 ZINC000823049740 946293139 /nfs/dbraw/zinc/29/31/39/946293139.db2.gz JSSUITTYVTUFTJ-SNVBAGLBSA-N -1 3 377.430 0.472 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NC[C@H]1CCCS1 ZINC000823049740 946293149 /nfs/dbraw/zinc/29/31/49/946293149.db2.gz JSSUITTYVTUFTJ-SNVBAGLBSA-N -1 3 377.430 0.472 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NC[C@@H]1CCCS1 ZINC000823049739 946293272 /nfs/dbraw/zinc/29/32/72/946293272.db2.gz JSSUITTYVTUFTJ-JTQLQIEISA-N -1 3 377.430 0.472 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NC[C@@H]1CCCS1 ZINC000823049739 946293283 /nfs/dbraw/zinc/29/32/83/946293283.db2.gz JSSUITTYVTUFTJ-JTQLQIEISA-N -1 3 377.430 0.472 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@H]1CCC(F)(F)C1 ZINC000823049687 946293441 /nfs/dbraw/zinc/29/34/41/946293441.db2.gz HZSLXBCDFLQDGG-VIFPVBQESA-N -1 3 381.343 0.764 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@H]1CCC(F)(F)C1 ZINC000823049687 946293451 /nfs/dbraw/zinc/29/34/51/946293451.db2.gz HZSLXBCDFLQDGG-VIFPVBQESA-N -1 3 381.343 0.764 20 50 GCGDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1ccncc1 ZINC000823060906 946299069 /nfs/dbraw/zinc/29/90/69/946299069.db2.gz NWYIROUUAQNCMQ-UHFFFAOYSA-N -1 3 383.437 0.885 20 50 GCGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccncc1 ZINC000823060906 946299073 /nfs/dbraw/zinc/29/90/73/946299073.db2.gz NWYIROUUAQNCMQ-UHFFFAOYSA-N -1 3 383.437 0.885 20 50 GCGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C(=O)Nc1ccccn1 ZINC000823065845 946301380 /nfs/dbraw/zinc/30/13/80/946301380.db2.gz CNVBKCGGIHALRX-UHFFFAOYSA-N -1 3 398.408 0.140 20 50 GCGDHM O=C(CSc1nnc2ccccn21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823071041 946303728 /nfs/dbraw/zinc/30/37/28/946303728.db2.gz YPEWEHKFSJGGDF-UHFFFAOYSA-N -1 3 395.408 0.463 20 50 GCGDHM O=C(CSc1nnc2ccccn21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823071041 946303735 /nfs/dbraw/zinc/30/37/35/946303735.db2.gz YPEWEHKFSJGGDF-UHFFFAOYSA-N -1 3 395.408 0.463 20 50 GCGDHM O=C(NCCCOC1CCOCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823191126 946339766 /nfs/dbraw/zinc/33/97/66/946339766.db2.gz JKWFMUIJJXKTAI-UHFFFAOYSA-N -1 3 389.416 0.396 20 50 GCGDHM O=C(NCCCOC1CCOCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823191126 946339776 /nfs/dbraw/zinc/33/97/76/946339776.db2.gz JKWFMUIJJXKTAI-UHFFFAOYSA-N -1 3 389.416 0.396 20 50 GCGDHM O=C(NCCc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823223975 946349340 /nfs/dbraw/zinc/34/93/40/946349340.db2.gz NDIDITFSBWUILO-UHFFFAOYSA-N -1 3 396.367 0.962 20 50 GCGDHM O=C(NCCc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823223975 946349346 /nfs/dbraw/zinc/34/93/46/946349346.db2.gz NDIDITFSBWUILO-UHFFFAOYSA-N -1 3 396.367 0.962 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@@H](c2ccco2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277855 946404855 /nfs/dbraw/zinc/40/48/55/946404855.db2.gz ZAQCRZUCAOLXCM-CQSZACIVSA-N -1 3 383.368 0.888 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@@H](c2ccco2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277855 946404863 /nfs/dbraw/zinc/40/48/63/946404863.db2.gz ZAQCRZUCAOLXCM-CQSZACIVSA-N -1 3 383.368 0.888 20 50 GCGDHM C=CCS(=O)(=O)CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823931677 946518827 /nfs/dbraw/zinc/51/88/27/946518827.db2.gz CYSGQOPABVIMDJ-JYRVWZFOSA-N -1 3 389.441 0.138 20 50 GCGDHM C=CCS(=O)(=O)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823931677 946518836 /nfs/dbraw/zinc/51/88/36/946518836.db2.gz CYSGQOPABVIMDJ-JYRVWZFOSA-N -1 3 389.441 0.138 20 50 GCGDHM CS[C@H](CO)[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826225592 947665215 /nfs/dbraw/zinc/66/52/15/947665215.db2.gz FNUJALXLPABATO-UFQUJZEASA-N -1 3 375.458 0.649 20 50 GCGDHM CS[C@H](CO)[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826225592 947665224 /nfs/dbraw/zinc/66/52/24/947665224.db2.gz FNUJALXLPABATO-UFQUJZEASA-N -1 3 375.458 0.649 20 50 GCGDHM CS[C@H](CO)[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826225590 947665838 /nfs/dbraw/zinc/66/58/38/947665838.db2.gz FNUJALXLPABATO-MSQRNBTMSA-N -1 3 375.458 0.649 20 50 GCGDHM CS[C@H](CO)[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826225590 947665844 /nfs/dbraw/zinc/66/58/44/947665844.db2.gz FNUJALXLPABATO-MSQRNBTMSA-N -1 3 375.458 0.649 20 50 GCGDHM O=C(CN1CCC(CCCO)CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826410384 948247067 /nfs/dbraw/zinc/24/70/67/948247067.db2.gz LMIJGUDKEAGRCS-UHFFFAOYSA-N -1 3 387.444 0.112 20 50 GCGDHM O=C(COC(=O)[C@@H]1CCCCS1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826415320 948254482 /nfs/dbraw/zinc/25/44/82/948254482.db2.gz AHNQZQDDRVRPHW-LBPRGKRZSA-N -1 3 390.425 0.457 20 50 GCGDHM O=C(COC(=O)[C@@H]1CCCCS1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826415320 948254489 /nfs/dbraw/zinc/25/44/89/948254489.db2.gz AHNQZQDDRVRPHW-LBPRGKRZSA-N -1 3 390.425 0.457 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@H]1CCCOCC1 ZINC000826417620 948259537 /nfs/dbraw/zinc/25/95/37/948259537.db2.gz XTJPNOLQJXPOES-LBPRGKRZSA-N -1 3 375.389 0.145 20 50 GCGDHM COc1ccc(Cl)cc1C(=O)NNC(=O)CN[C@]1(CC(=O)[O-])CCCOC1 ZINC001599580147 998516071 /nfs/dbraw/zinc/51/60/71/998516071.db2.gz VIAAMMYJDFWVAJ-KRWDZBQOSA-N -1 3 399.831 0.723 20 50 GCGDHM O=C(NNC(=O)c1ccccc1Cn1cncn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277758 599149964 /nfs/dbraw/zinc/14/99/64/599149964.db2.gz WAGDOVXQOMUQRG-UHFFFAOYSA-N -1 3 389.379 0.581 20 50 GCGDHM O=C(NNC(=O)c1ccccc1Cn1cncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277758 599149967 /nfs/dbraw/zinc/14/99/67/599149967.db2.gz WAGDOVXQOMUQRG-UHFFFAOYSA-N -1 3 389.379 0.581 20 50 GCGDHM Cc1oc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1S(=O)(=O)N(C)C ZINC000826340992 607334133 /nfs/dbraw/zinc/33/41/33/607334133.db2.gz RKSBNIOIGWHMET-UHFFFAOYSA-N -1 3 391.413 0.775 20 50 GCGDHM Cc1oc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1S(=O)(=O)N(C)C ZINC000826340992 607334135 /nfs/dbraw/zinc/33/41/35/607334135.db2.gz RKSBNIOIGWHMET-UHFFFAOYSA-N -1 3 391.413 0.775 20 50 GCGDHM COc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1OCC(N)=O ZINC000826177090 607343005 /nfs/dbraw/zinc/34/30/05/607343005.db2.gz QWZRGCDQBLQSMJ-UHFFFAOYSA-N -1 3 383.368 0.496 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000826446876 607343855 /nfs/dbraw/zinc/34/38/55/607343855.db2.gz CGLTZQIYBXYNAV-UHFFFAOYSA-N -1 3 392.379 0.675 20 50 GCGDHM O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409860 607344614 /nfs/dbraw/zinc/34/46/14/607344614.db2.gz ROFQGOFWTGZMRL-UHFFFAOYSA-N -1 3 399.392 0.155 20 50 GCGDHM CN1C(=O)N(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C(=O)C12CCCCC2 ZINC000826018418 607346632 /nfs/dbraw/zinc/34/66/32/607346632.db2.gz YJBQUSVSSJPPFA-UHFFFAOYSA-N -1 3 398.427 0.907 20 50 GCGDHM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824104040 607347531 /nfs/dbraw/zinc/34/75/31/607347531.db2.gz MZZQYNFZHHKKOV-CHWSQXEVSA-N -1 3 389.416 0.680 20 50 GCGDHM Cn1cc([C@@H]2[C@@H](C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCC(=O)N2C)cn1 ZINC000826010118 607350223 /nfs/dbraw/zinc/35/02/23/607350223.db2.gz DKSVCLZESAVOHJ-GOEBONIOSA-N -1 3 395.427 0.653 20 50 GCGDHM COc1ccc(S(N)(=O)=O)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826211725 607355133 /nfs/dbraw/zinc/35/51/33/607355133.db2.gz RODCTFNNFJHTOO-UHFFFAOYSA-N -1 3 389.397 0.280 20 50 GCGDHM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000824039549 607354721 /nfs/dbraw/zinc/35/47/21/607354721.db2.gz FGUGUZCRBDFJCZ-LEWSCRJBSA-N -1 3 383.412 0.874 20 50 GCGDHM CS(=O)(=O)c1ccc(NNC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000826223861 607357868 /nfs/dbraw/zinc/35/78/68/607357868.db2.gz CREQBGGQEQSQIC-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM CS(=O)(=O)c1ccc(NNC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000826223861 607357870 /nfs/dbraw/zinc/35/78/70/607357870.db2.gz CREQBGGQEQSQIC-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)NNC(=O)c1ccccc1 ZINC000826251930 607383073 /nfs/dbraw/zinc/38/30/73/607383073.db2.gz GXKXCOLXROGLPQ-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)NNC(=O)c1ccccc1 ZINC000826251930 607383076 /nfs/dbraw/zinc/38/30/76/607383076.db2.gz GXKXCOLXROGLPQ-UHFFFAOYSA-N -1 3 380.364 0.793 20 50 GCGDHM C[C@@H](O)c1cn(CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nn1 ZINC000824706842 607396210 /nfs/dbraw/zinc/39/62/10/607396210.db2.gz KDFOGMUANMYCJQ-SSDOTTSWSA-N -1 3 397.321 0.674 20 50 GCGDHM C[C@@H](O)c1cn(CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nn1 ZINC000824706842 607396212 /nfs/dbraw/zinc/39/62/12/607396212.db2.gz KDFOGMUANMYCJQ-SSDOTTSWSA-N -1 3 397.321 0.674 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCc1cccc(F)n1 ZINC000826417644 607461900 /nfs/dbraw/zinc/46/19/00/607461900.db2.gz YHWGTDBUVYIRIQ-UHFFFAOYSA-N -1 3 386.347 0.310 20 50 GCGDHM COC[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826150530 607561365 /nfs/dbraw/zinc/56/13/65/607561365.db2.gz GTYJDWWRYZUEMY-CYBMUJFWSA-N -1 3 375.389 0.001 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccncc2)cc(-c2nnn[n-]2)n1C ZINC000826235388 607561986 /nfs/dbraw/zinc/56/19/86/607561986.db2.gz IYVLLYHDTZDSCH-KAMPRCONSA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccncc2)cc(-c2nn[n-]n2)n1C ZINC000826235388 607561988 /nfs/dbraw/zinc/56/19/88/607561988.db2.gz IYVLLYHDTZDSCH-KAMPRCONSA-N -1 3 378.396 0.665 20 50 GCGDHM CSCc1noc(CCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826229149 607578237 /nfs/dbraw/zinc/57/82/37/607578237.db2.gz RHFLCAIVMLZKJO-UHFFFAOYSA-N -1 3 388.413 0.507 20 50 GCGDHM CSCc1noc(CCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826229149 607578239 /nfs/dbraw/zinc/57/82/39/607578239.db2.gz RHFLCAIVMLZKJO-UHFFFAOYSA-N -1 3 388.413 0.507 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C[C@H]1CSCCS1 ZINC000826417089 607683457 /nfs/dbraw/zinc/68/34/57/607683457.db2.gz DCXFGBAGGDKPGP-LBPRGKRZSA-N -1 3 394.482 0.632 20 50 GCGDHM Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826358537 607689117 /nfs/dbraw/zinc/68/91/17/607689117.db2.gz XRQDLWPSDCSZJW-UHFFFAOYSA-N -1 3 379.178 0.371 20 50 GCGDHM Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826358537 607689119 /nfs/dbraw/zinc/68/91/19/607689119.db2.gz XRQDLWPSDCSZJW-UHFFFAOYSA-N -1 3 379.178 0.371 20 50 GCGDHM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406551 607712490 /nfs/dbraw/zinc/71/24/90/607712490.db2.gz BUNBELWIIARUGC-ZIAGYGMSSA-N -1 3 383.412 0.875 20 50 GCGDHM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406551 607712492 /nfs/dbraw/zinc/71/24/92/607712492.db2.gz BUNBELWIIARUGC-ZIAGYGMSSA-N -1 3 383.412 0.875 20 50 GCGDHM O=C(CNC(=O)NCc1ccc(F)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826411588 607721455 /nfs/dbraw/zinc/72/14/55/607721455.db2.gz FHWQDSSAECHMMP-UHFFFAOYSA-N -1 3 384.375 0.948 20 50 GCGDHM O=C(CNC(=O)NCc1ccc(F)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826411588 607721456 /nfs/dbraw/zinc/72/14/56/607721456.db2.gz FHWQDSSAECHMMP-UHFFFAOYSA-N -1 3 384.375 0.948 20 50 GCGDHM CCNS(=O)(=O)c1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825476381 607722657 /nfs/dbraw/zinc/72/26/57/607722657.db2.gz IHKXEAONCSKNTK-UHFFFAOYSA-N -1 3 387.425 0.922 20 50 GCGDHM CCNS(=O)(=O)c1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825476381 607722659 /nfs/dbraw/zinc/72/26/59/607722659.db2.gz IHKXEAONCSKNTK-UHFFFAOYSA-N -1 3 387.425 0.922 20 50 GCGDHM NC(=O)[C@H]1CC(C(=O)NNc2cccc(-c3nnn[n-]3)c2)=NN1c1ccccc1 ZINC000826389833 607726544 /nfs/dbraw/zinc/72/65/44/607726544.db2.gz JLMZANCQXWOMEZ-OAHLLOKOSA-N -1 3 391.395 0.430 20 50 GCGDHM NC(=O)[C@H]1CC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)=NN1c1ccccc1 ZINC000826389833 607726546 /nfs/dbraw/zinc/72/65/46/607726546.db2.gz JLMZANCQXWOMEZ-OAHLLOKOSA-N -1 3 391.395 0.430 20 50 GCGDHM Cn1ncc2c1nc(CCC(=O)NNc1cccc(-c3nnn[n-]3)c1)[nH]c2=O ZINC000826366601 607726597 /nfs/dbraw/zinc/72/65/97/607726597.db2.gz PRBUOCYWLGRLQR-UHFFFAOYSA-N -1 3 380.372 0.325 20 50 GCGDHM Cn1ncc2c1nc(CCC(=O)NNc1cccc(-c3nn[n-]n3)c1)[nH]c2=O ZINC000826366601 607726599 /nfs/dbraw/zinc/72/65/99/607726599.db2.gz PRBUOCYWLGRLQR-UHFFFAOYSA-N -1 3 380.372 0.325 20 50 GCGDHM O=C(COCC(=O)NNc1cccc(-c2nnn[n-]2)c1)NCc1cccnc1 ZINC000826416997 607726697 /nfs/dbraw/zinc/72/66/97/607726697.db2.gz ZFNMFHGEVVRFEQ-UHFFFAOYSA-N -1 3 382.384 0.038 20 50 GCGDHM O=C(COCC(=O)NNc1cccc(-c2nn[n-]n2)c1)NCc1cccnc1 ZINC000826416997 607726698 /nfs/dbraw/zinc/72/66/98/607726698.db2.gz ZFNMFHGEVVRFEQ-UHFFFAOYSA-N -1 3 382.384 0.038 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000826448363 607727330 /nfs/dbraw/zinc/72/73/30/607727330.db2.gz SBVCSCRJHWRXTG-CQSZACIVSA-N -1 3 386.397 0.040 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000826448363 607727332 /nfs/dbraw/zinc/72/73/32/607727332.db2.gz SBVCSCRJHWRXTG-CQSZACIVSA-N -1 3 386.397 0.040 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277556 607052021 /nfs/dbraw/zinc/05/20/21/607052021.db2.gz PVCFXARVCLVSNA-KDOFPFPSSA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277556 607052023 /nfs/dbraw/zinc/05/20/23/607052023.db2.gz PVCFXARVCLVSNA-KDOFPFPSSA-N -1 3 385.428 0.848 20 50 GCGDHM O=C([N-]NC(=O)c1cccc(-c2nn[nH]n2)c1)c1cc2c(cc1F)NC(=O)CC2 ZINC000823530281 607154455 /nfs/dbraw/zinc/15/44/55/607154455.db2.gz HTVPAVCEWOYNCR-UHFFFAOYSA-N -1 3 395.354 0.965 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2cnc(N(C)C)nc2)cc(-c2nn[n-]n2)n1C ZINC000826235501 607775296 /nfs/dbraw/zinc/77/52/96/607775296.db2.gz KZIBREDBMKWAOT-LFYBBSHMSA-N -1 3 378.400 0.915 20 50 GCGDHM CN(CCc1nccs1)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825950450 607802314 /nfs/dbraw/zinc/80/23/14/607802314.db2.gz OZBITDJWAPJTQP-UHFFFAOYSA-N -1 3 386.441 0.259 20 50 GCGDHM CN(CCc1nccs1)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825950450 607802315 /nfs/dbraw/zinc/80/23/15/607802315.db2.gz OZBITDJWAPJTQP-UHFFFAOYSA-N -1 3 386.441 0.259 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826444962 607823693 /nfs/dbraw/zinc/82/36/93/607823693.db2.gz ARYZOUXMKIPIJD-MGPQQGTHSA-N -1 3 383.412 0.768 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826444962 607823694 /nfs/dbraw/zinc/82/36/94/607823694.db2.gz ARYZOUXMKIPIJD-MGPQQGTHSA-N -1 3 383.412 0.768 20 50 GCGDHM O=C(NNC(=O)N1CC[C@H](C2CCOCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444368 607854771 /nfs/dbraw/zinc/85/47/71/607854771.db2.gz CKMJYLFZCYWAPQ-HNNXBMFYSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CC[C@H](C2CCOCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444368 607854772 /nfs/dbraw/zinc/85/47/72/607854772.db2.gz CKMJYLFZCYWAPQ-HNNXBMFYSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NN=CCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444524 607888191 /nfs/dbraw/zinc/88/81/91/607888191.db2.gz KCWIUAXMJWWBBA-UHFFFAOYSA-N -1 3 375.348 0.879 20 50 GCGDHM O=C(NN=CCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444524 607888192 /nfs/dbraw/zinc/88/81/92/607888192.db2.gz KCWIUAXMJWWBBA-UHFFFAOYSA-N -1 3 375.348 0.879 20 50 GCGDHM CC(C)C[C@@H]1COCCN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824244124 607922117 /nfs/dbraw/zinc/92/21/17/607922117.db2.gz QQSKQFDMVJGPAC-OAHLLOKOSA-N -1 3 387.444 0.375 20 50 GCGDHM CC(C)C[C@@H]1COCCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824244124 607922118 /nfs/dbraw/zinc/92/21/18/607922118.db2.gz QQSKQFDMVJGPAC-OAHLLOKOSA-N -1 3 387.444 0.375 20 50 GCGDHM COc1ccc(N(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826209217 607924160 /nfs/dbraw/zinc/92/41/60/607924160.db2.gz RNYDUSZTONMNSY-UHFFFAOYSA-N -1 3 399.386 0.912 20 50 GCGDHM COc1ccc(N(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826209217 607924161 /nfs/dbraw/zinc/92/41/61/607924161.db2.gz RNYDUSZTONMNSY-UHFFFAOYSA-N -1 3 399.386 0.912 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2 ZINC000825892511 607927300 /nfs/dbraw/zinc/92/73/00/607927300.db2.gz NLPNSJYLHWQYKV-UHFFFAOYSA-N -1 3 395.379 0.493 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC000825892511 607927301 /nfs/dbraw/zinc/92/73/01/607927301.db2.gz NLPNSJYLHWQYKV-UHFFFAOYSA-N -1 3 395.379 0.493 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C(=O)NC2CC2)cc1 ZINC000826445256 607938504 /nfs/dbraw/zinc/93/85/04/607938504.db2.gz MKULOWLHYUDXJU-UHFFFAOYSA-N -1 3 391.391 0.834 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C(=O)NC2CC2)cc1 ZINC000826445256 607938505 /nfs/dbraw/zinc/93/85/05/607938505.db2.gz MKULOWLHYUDXJU-UHFFFAOYSA-N -1 3 391.391 0.834 20 50 GCGDHM CN1C(=O)CCc2cc(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826010263 607980390 /nfs/dbraw/zinc/98/03/90/607980390.db2.gz GJCAUJNHFZSAEO-UHFFFAOYSA-N -1 3 391.391 0.851 20 50 GCGDHM CN1C(=O)CCc2cc(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826010263 607980391 /nfs/dbraw/zinc/98/03/91/607980391.db2.gz GJCAUJNHFZSAEO-UHFFFAOYSA-N -1 3 391.391 0.851 20 50 GCGDHM CNC(=O)c1cccc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826073618 607980402 /nfs/dbraw/zinc/98/04/02/607980402.db2.gz ZDTJPVQOCFDJJP-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM CNC(=O)c1cccc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826073618 607980403 /nfs/dbraw/zinc/98/04/03/607980403.db2.gz ZDTJPVQOCFDJJP-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCCC3(C2)OCCO3)cc(-c2nnn[n-]2)n1C ZINC000826235181 607995756 /nfs/dbraw/zinc/99/57/56/607995756.db2.gz DSECTZSAUYINOV-RIYZIHGNSA-N -1 3 383.412 0.786 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCCC3(C2)OCCO3)cc(-c2nn[n-]n2)n1C ZINC000826235181 607995757 /nfs/dbraw/zinc/99/57/57/607995757.db2.gz DSECTZSAUYINOV-RIYZIHGNSA-N -1 3 383.412 0.786 20 50 GCGDHM CCS(=O)(=O)CCN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825659440 608008481 /nfs/dbraw/zinc/00/84/81/608008481.db2.gz TVBWQGUEYKZAOK-MDWZMJQESA-N -1 3 391.457 0.314 20 50 GCGDHM CCS(=O)(=O)CCN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825659440 608008482 /nfs/dbraw/zinc/00/84/82/608008482.db2.gz TVBWQGUEYKZAOK-MDWZMJQESA-N -1 3 391.457 0.314 20 50 GCGDHM Cc1cncc(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826319387 608033494 /nfs/dbraw/zinc/03/34/94/608033494.db2.gz ALPUWVTVINAMBP-UHFFFAOYSA-N -1 3 382.384 0.480 20 50 GCGDHM Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826328802 608046742 /nfs/dbraw/zinc/04/67/42/608046742.db2.gz DJGBIPGKLQWOCO-UHFFFAOYSA-N -1 3 377.368 0.601 20 50 GCGDHM Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826328802 608046743 /nfs/dbraw/zinc/04/67/43/608046743.db2.gz DJGBIPGKLQWOCO-UHFFFAOYSA-N -1 3 377.368 0.601 20 50 GCGDHM O=C(Cn1cnc(-c2ccccc2)n1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826424961 608060413 /nfs/dbraw/zinc/06/04/13/608060413.db2.gz KERRUNGVNRWMPO-UHFFFAOYSA-N -1 3 389.379 0.586 20 50 GCGDHM O=C(Cn1cnc(-c2ccccc2)n1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826424961 608060414 /nfs/dbraw/zinc/06/04/14/608060414.db2.gz KERRUNGVNRWMPO-UHFFFAOYSA-N -1 3 389.379 0.586 20 50 GCGDHM O=C(CN1CCCOc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410510 608063905 /nfs/dbraw/zinc/06/39/05/608063905.db2.gz PLSIIYWNAQAGBG-UHFFFAOYSA-N -1 3 393.407 0.917 20 50 GCGDHM O=C(CN1CCCOc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410510 608063906 /nfs/dbraw/zinc/06/39/06/608063906.db2.gz PLSIIYWNAQAGBG-UHFFFAOYSA-N -1 3 393.407 0.917 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235782 608078892 /nfs/dbraw/zinc/07/88/92/608078892.db2.gz QYHWYYRGXRNEOG-DEYRLNKFSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235782 608078893 /nfs/dbraw/zinc/07/88/93/608078893.db2.gz QYHWYYRGXRNEOG-DEYRLNKFSA-N -1 3 383.334 0.850 20 50 GCGDHM CN(C)c1ccccc1N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825883408 608104491 /nfs/dbraw/zinc/10/44/91/608104491.db2.gz GQGMETCXCFKUOH-UHFFFAOYSA-N -1 3 394.439 0.830 20 50 GCGDHM CN(C)c1ccccc1N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825883408 608104492 /nfs/dbraw/zinc/10/44/92/608104492.db2.gz GQGMETCXCFKUOH-UHFFFAOYSA-N -1 3 394.439 0.830 20 50 GCGDHM COc1cccc(NNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)n1 ZINC000826216530 608142099 /nfs/dbraw/zinc/14/20/99/608142099.db2.gz CMZHHJKUBBGYJO-UHFFFAOYSA-N -1 3 384.356 0.361 20 50 GCGDHM COc1cccc(NNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)n1 ZINC000826216530 608142100 /nfs/dbraw/zinc/14/21/00/608142100.db2.gz CMZHHJKUBBGYJO-UHFFFAOYSA-N -1 3 384.356 0.361 20 50 GCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826449423 608142280 /nfs/dbraw/zinc/14/22/80/608142280.db2.gz RQSBDGGJPZHKBA-UHFFFAOYSA-N -1 3 386.303 0.996 20 50 GCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826449423 608142281 /nfs/dbraw/zinc/14/22/81/608142281.db2.gz RQSBDGGJPZHKBA-UHFFFAOYSA-N -1 3 386.303 0.996 20 50 GCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826449099 608142292 /nfs/dbraw/zinc/14/22/92/608142292.db2.gz BTEUWBLBNVRHOG-UHFFFAOYSA-N -1 3 386.303 0.996 20 50 GCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826449099 608142293 /nfs/dbraw/zinc/14/22/93/608142293.db2.gz BTEUWBLBNVRHOG-UHFFFAOYSA-N -1 3 386.303 0.996 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2noc(C3CC3)n2)cc(-c2nnn[n-]2)n1C ZINC000826235788 608205561 /nfs/dbraw/zinc/20/55/61/608205561.db2.gz RDXZYQYJZPZTCH-LFYBBSHMSA-N -1 3 379.384 0.997 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2noc(C3CC3)n2)cc(-c2nn[n-]n2)n1C ZINC000826235788 608205562 /nfs/dbraw/zinc/20/55/62/608205562.db2.gz RDXZYQYJZPZTCH-LFYBBSHMSA-N -1 3 379.384 0.997 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2noc(C3CC3)n2)cc(-c2nnn[n-]2)n1C ZINC000826235789 608205872 /nfs/dbraw/zinc/20/58/72/608205872.db2.gz RDXZYQYJZPZTCH-XGICHPGQSA-N -1 3 379.384 0.997 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2noc(C3CC3)n2)cc(-c2nn[n-]n2)n1C ZINC000826235789 608205874 /nfs/dbraw/zinc/20/58/74/608205874.db2.gz RDXZYQYJZPZTCH-XGICHPGQSA-N -1 3 379.384 0.997 20 50 GCGDHM C[C@@H]1CSC(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)=N1 ZINC000825012407 608266259 /nfs/dbraw/zinc/26/62/59/608266259.db2.gz IMWCBKSJECESOY-MRVPVSSYSA-N -1 3 377.455 0.852 20 50 GCGDHM C[C@@H]1CSC(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)=N1 ZINC000825012407 608266261 /nfs/dbraw/zinc/26/62/61/608266261.db2.gz IMWCBKSJECESOY-MRVPVSSYSA-N -1 3 377.455 0.852 20 50 GCGDHM Cc1cccn2c(=O)c(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)cnc12 ZINC000826308300 608302926 /nfs/dbraw/zinc/30/29/26/608302926.db2.gz SNUWBUXLRPXREI-UHFFFAOYSA-N -1 3 390.363 0.258 20 50 GCGDHM Cc1cccn2c(=O)c(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)cnc12 ZINC000826308300 608302928 /nfs/dbraw/zinc/30/29/28/608302928.db2.gz SNUWBUXLRPXREI-UHFFFAOYSA-N -1 3 390.363 0.258 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444386 608414343 /nfs/dbraw/zinc/41/43/43/608414343.db2.gz DKAAMVMUVAEDFT-CYBMUJFWSA-N -1 3 381.400 0.824 20 50 GCGDHM CCc1ccnc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825727869 608458182 /nfs/dbraw/zinc/45/81/82/608458182.db2.gz BUJCOGUBFONSNL-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM CCc1ccnc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825727869 608458184 /nfs/dbraw/zinc/45/81/84/608458184.db2.gz BUJCOGUBFONSNL-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM C[C@H]1CC(NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824893349 608492657 /nfs/dbraw/zinc/49/26/57/608492657.db2.gz QBWCNJIYYGOJRR-QWRGUYRKSA-N -1 3 389.416 0.532 20 50 GCGDHM C[C@H]1CC(NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824893349 608492658 /nfs/dbraw/zinc/49/26/58/608492658.db2.gz QBWCNJIYYGOJRR-QWRGUYRKSA-N -1 3 389.416 0.532 20 50 GCGDHM CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826146396 608538231 /nfs/dbraw/zinc/53/82/31/608538231.db2.gz VINLEFROAYBBRV-GXTWGEPZSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](CCO)C1(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000824406176 608589772 /nfs/dbraw/zinc/58/97/72/608589772.db2.gz FEPNQCGYLAYGTP-LBPRGKRZSA-N -1 3 387.444 1.000 20 50 GCGDHM C[C@@H](CCO)C1(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000824406176 608589773 /nfs/dbraw/zinc/58/97/73/608589773.db2.gz FEPNQCGYLAYGTP-LBPRGKRZSA-N -1 3 387.444 1.000 20 50 GCGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNC(=S)NCCSC ZINC000826174967 608827907 /nfs/dbraw/zinc/82/79/07/608827907.db2.gz OOTGSPPBVBCUGI-UHFFFAOYSA-N -1 3 397.486 0.112 20 50 GCGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNC(=S)NCCSC ZINC000826174967 608827910 /nfs/dbraw/zinc/82/79/10/608827910.db2.gz OOTGSPPBVBCUGI-UHFFFAOYSA-N -1 3 397.486 0.112 20 50 GCGDHM C[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824891555 608845242 /nfs/dbraw/zinc/84/52/42/608845242.db2.gz AUGOJQNQXLFMDB-WDEREUQCSA-N -1 3 375.389 0.143 20 50 GCGDHM C[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824891555 608845244 /nfs/dbraw/zinc/84/52/44/608845244.db2.gz AUGOJQNQXLFMDB-WDEREUQCSA-N -1 3 375.389 0.143 20 50 GCGDHM C[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824891549 608845380 /nfs/dbraw/zinc/84/53/80/608845380.db2.gz AUGOJQNQXLFMDB-GHMZBOCLSA-N -1 3 375.389 0.143 20 50 GCGDHM C[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824891549 608845382 /nfs/dbraw/zinc/84/53/82/608845382.db2.gz AUGOJQNQXLFMDB-GHMZBOCLSA-N -1 3 375.389 0.143 20 50 GCGDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC=C(C#N)CC1 ZINC000824640267 609164310 /nfs/dbraw/zinc/16/43/10/609164310.db2.gz FIHUVTPJLVEYFP-NSHDSACASA-N -1 3 387.425 0.216 20 50 GCGDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC=C(C#N)CC1 ZINC000824640267 609164311 /nfs/dbraw/zinc/16/43/11/609164311.db2.gz FIHUVTPJLVEYFP-NSHDSACASA-N -1 3 387.425 0.216 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000826187544 609183145 /nfs/dbraw/zinc/18/31/45/609183145.db2.gz VNAWNUPYKWNMQU-HNNXBMFYSA-N -1 3 398.379 0.379 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826187544 609183147 /nfs/dbraw/zinc/18/31/47/609183147.db2.gz VNAWNUPYKWNMQU-HNNXBMFYSA-N -1 3 398.379 0.379 20 50 GCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826285071 609183795 /nfs/dbraw/zinc/18/37/95/609183795.db2.gz OVIMNUYRPTXFEV-QGZVFWFLSA-N -1 3 396.407 0.743 20 50 GCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826285071 609183796 /nfs/dbraw/zinc/18/37/96/609183796.db2.gz OVIMNUYRPTXFEV-QGZVFWFLSA-N -1 3 396.407 0.743 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000824499093 609191949 /nfs/dbraw/zinc/19/19/49/609191949.db2.gz NNNCIOPUYDGUFV-VXGBXAGGSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000824499093 609191951 /nfs/dbraw/zinc/19/19/51/609191951.db2.gz NNNCIOPUYDGUFV-VXGBXAGGSA-N -1 3 389.416 0.391 20 50 GCGDHM O=C(NNC(=O)C1CCC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826444502 609204824 /nfs/dbraw/zinc/20/48/24/609204824.db2.gz JNRBOAIVEULVSY-CQSZACIVSA-N -1 3 398.427 0.493 20 50 GCGDHM O=C(NNC(=O)C1CCC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826444502 609204826 /nfs/dbraw/zinc/20/48/26/609204826.db2.gz JNRBOAIVEULVSY-CQSZACIVSA-N -1 3 398.427 0.493 20 50 GCGDHM O=C(NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2cccnc21 ZINC000826444903 609217039 /nfs/dbraw/zinc/21/70/39/609217039.db2.gz YUWJRWXGADBXMB-MRXNPFEDSA-N -1 3 389.375 0.910 20 50 GCGDHM O=C(NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2cccnc21 ZINC000826444903 609217041 /nfs/dbraw/zinc/21/70/41/609217041.db2.gz YUWJRWXGADBXMB-MRXNPFEDSA-N -1 3 389.375 0.910 20 50 GCGDHM CS(=O)(=O)c1cccc(NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826223991 609260897 /nfs/dbraw/zinc/26/08/97/609260897.db2.gz JVCPSPWRPAHIHU-CQSZACIVSA-N -1 3 388.409 0.447 20 50 GCGDHM CS(=O)(=O)c1cccc(NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826223991 609260899 /nfs/dbraw/zinc/26/08/99/609260899.db2.gz JVCPSPWRPAHIHU-CQSZACIVSA-N -1 3 388.409 0.447 20 50 GCGDHM COc1cccc(NNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000826216544 609262706 /nfs/dbraw/zinc/26/27/06/609262706.db2.gz DGKLUXBROVKIJO-GHXNOFRVSA-N -1 3 379.384 0.968 20 50 GCGDHM COc1cccc(NNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000826216544 609262708 /nfs/dbraw/zinc/26/27/08/609262708.db2.gz DGKLUXBROVKIJO-GHXNOFRVSA-N -1 3 379.384 0.968 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2nnc3n2CCCC3)cc(-c2nn[n-]n2)n1C ZINC000826236016 609264092 /nfs/dbraw/zinc/26/40/92/609264092.db2.gz WQUQBBFGMXXYHC-GHXNOFRVSA-N -1 3 378.400 0.987 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826236067 609265483 /nfs/dbraw/zinc/26/54/83/609265483.db2.gz XTTVEEKPYJHOOX-JVXNRYDGSA-N -1 3 394.439 0.548 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826236067 609265484 /nfs/dbraw/zinc/26/54/84/609265484.db2.gz XTTVEEKPYJHOOX-JVXNRYDGSA-N -1 3 394.439 0.548 20 50 GCGDHM COCCCNC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826156542 609304125 /nfs/dbraw/zinc/30/41/25/609304125.db2.gz IRUFFBYVGOSPEE-UHFFFAOYSA-N -1 3 383.416 0.937 20 50 GCGDHM COCCCNC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826156542 609304127 /nfs/dbraw/zinc/30/41/27/609304127.db2.gz IRUFFBYVGOSPEE-UHFFFAOYSA-N -1 3 383.416 0.937 20 50 GCGDHM Cn1cc(C=NNC(=O)C(=O)N2CCCC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359891 609306578 /nfs/dbraw/zinc/30/65/78/609306578.db2.gz SCXJCFFCRPDHNF-UHFFFAOYSA-N -1 3 393.411 0.340 20 50 GCGDHM Cn1cc(C=NNC(=O)C(=O)N2CCCC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359891 609306579 /nfs/dbraw/zinc/30/65/79/609306579.db2.gz SCXJCFFCRPDHNF-UHFFFAOYSA-N -1 3 393.411 0.340 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824109450 609307364 /nfs/dbraw/zinc/30/73/64/609307364.db2.gz QXCYYENGKCJUOE-UHFFFAOYSA-N -1 3 385.388 0.489 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824109450 609307365 /nfs/dbraw/zinc/30/73/65/609307365.db2.gz QXCYYENGKCJUOE-UHFFFAOYSA-N -1 3 385.388 0.489 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H](F)Cc1ccccc1 ZINC000826417509 609314903 /nfs/dbraw/zinc/31/49/03/609314903.db2.gz SZFUVHMHHFTVNJ-HNNXBMFYSA-N -1 3 384.371 0.974 20 50 GCGDHM COCCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826155418 609353607 /nfs/dbraw/zinc/35/36/07/609353607.db2.gz PKMODTLWSZHWEZ-NSHDSACASA-N -1 3 390.400 0.234 20 50 GCGDHM COCCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826155418 609353609 /nfs/dbraw/zinc/35/36/09/609353609.db2.gz PKMODTLWSZHWEZ-NSHDSACASA-N -1 3 390.400 0.234 20 50 GCGDHM CC(C)(C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000824064495 609363427 /nfs/dbraw/zinc/36/34/27/609363427.db2.gz JHUVECYMERWESB-UHFFFAOYSA-N -1 3 381.396 0.766 20 50 GCGDHM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824770044 609443098 /nfs/dbraw/zinc/44/30/98/609443098.db2.gz CYJCJSNFOILTTB-MLGOLLRUSA-N -1 3 395.423 0.975 20 50 GCGDHM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824770044 609443100 /nfs/dbraw/zinc/44/31/00/609443100.db2.gz CYJCJSNFOILTTB-MLGOLLRUSA-N -1 3 395.423 0.975 20 50 GCGDHM C[C@H](c1ccccc1)[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824770045 609443596 /nfs/dbraw/zinc/44/35/96/609443596.db2.gz CYJCJSNFOILTTB-WBMJQRKESA-N -1 3 395.423 0.975 20 50 GCGDHM C[C@H](c1ccccc1)[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824770045 609443597 /nfs/dbraw/zinc/44/35/97/609443597.db2.gz CYJCJSNFOILTTB-WBMJQRKESA-N -1 3 395.423 0.975 20 50 GCGDHM Cc1ccsc1[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826315722 609446606 /nfs/dbraw/zinc/44/66/06/609446606.db2.gz RDLYBKGFQWNFFH-LBPRGKRZSA-N -1 3 387.425 0.914 20 50 GCGDHM Cc1ccsc1[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826315722 609446607 /nfs/dbraw/zinc/44/66/07/609446607.db2.gz RDLYBKGFQWNFFH-LBPRGKRZSA-N -1 3 387.425 0.914 20 50 GCGDHM O=C(NNC(=O)N1CCC([C@H]2CCOC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444686 609607001 /nfs/dbraw/zinc/60/70/01/609607001.db2.gz QIPMWVQSTZFGCT-HNNXBMFYSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC([C@H]2CCOC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444686 609607003 /nfs/dbraw/zinc/60/70/03/609607003.db2.gz QIPMWVQSTZFGCT-HNNXBMFYSA-N -1 3 385.428 0.970 20 50 GCGDHM C#CCCCCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823841174 609641830 /nfs/dbraw/zinc/64/18/30/609641830.db2.gz JSEHICPOCYUYHK-UHFFFAOYSA-N -1 3 384.396 0.755 20 50 GCGDHM C#CCCCCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823841174 609641832 /nfs/dbraw/zinc/64/18/32/609641832.db2.gz JSEHICPOCYUYHK-UHFFFAOYSA-N -1 3 384.396 0.755 20 50 GCGDHM Cc1nc2n(n1)C[C@H](NC(=O)C(C#N)=Cc1cc(-c3nnn[n-]3)n(C)c1C)CC2 ZINC000737490880 945080766 /nfs/dbraw/zinc/08/07/66/945080766.db2.gz YSUDGHSUJNKYSK-YGLIYXGISA-N -1 3 392.427 0.452 20 50 GCGDHM Cc1nc2n(n1)C[C@H](NC(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)CC2 ZINC000737490880 945080777 /nfs/dbraw/zinc/08/07/77/945080777.db2.gz YSUDGHSUJNKYSK-YGLIYXGISA-N -1 3 392.427 0.452 20 50 GCGDHM Cc1nc2n(n1)C[C@@H](NC(=O)C(C#N)=Cc1cc(-c3nnn[n-]3)n(C)c1C)CC2 ZINC000737490877 945081599 /nfs/dbraw/zinc/08/15/99/945081599.db2.gz YSUDGHSUJNKYSK-BLXFFLACSA-N -1 3 392.427 0.452 20 50 GCGDHM Cc1nc2n(n1)C[C@@H](NC(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)CC2 ZINC000737490877 945081609 /nfs/dbraw/zinc/08/16/09/945081609.db2.gz YSUDGHSUJNKYSK-BLXFFLACSA-N -1 3 392.427 0.452 20 50 GCGDHM Cc1nc2n(n1)C[C@H](NC(=O)C(C#N)=Cc1cc(-c3nnn[n-]3)n(C)c1C)CC2 ZINC000737490878 945082237 /nfs/dbraw/zinc/08/22/37/945082237.db2.gz YSUDGHSUJNKYSK-CNTYAEFGSA-N -1 3 392.427 0.452 20 50 GCGDHM Cc1nc2n(n1)C[C@H](NC(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)CC2 ZINC000737490878 945082247 /nfs/dbraw/zinc/08/22/47/945082247.db2.gz YSUDGHSUJNKYSK-CNTYAEFGSA-N -1 3 392.427 0.452 20 50 GCGDHM Cn1cccc1C(=O)NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737612834 945101608 /nfs/dbraw/zinc/10/16/08/945101608.db2.gz IXFQRZWQBLNTFW-OAHLLOKOSA-N -1 3 380.412 0.635 20 50 GCGDHM Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737612833 945102562 /nfs/dbraw/zinc/10/25/62/945102562.db2.gz IXFQRZWQBLNTFW-HNNXBMFYSA-N -1 3 380.412 0.635 20 50 GCGDHM N#CCOc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737697109 945112154 /nfs/dbraw/zinc/11/21/54/945112154.db2.gz CKGPJJZJRFCOTR-UHFFFAOYSA-N -1 3 392.379 0.913 20 50 GCGDHM N#CCOc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737697109 945112170 /nfs/dbraw/zinc/11/21/70/945112170.db2.gz CKGPJJZJRFCOTR-UHFFFAOYSA-N -1 3 392.379 0.913 20 50 GCGDHM N#Cc1ccc(OCC(=O)NNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737722971 945117197 /nfs/dbraw/zinc/11/71/97/945117197.db2.gz ZVKIQTYFTRSDQQ-UHFFFAOYSA-N -1 3 392.379 0.377 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736729 945118580 /nfs/dbraw/zinc/11/85/80/945118580.db2.gz LLDNMYSCVLJAAS-HNNXBMFYSA-N -1 3 385.815 0.910 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736729 945118584 /nfs/dbraw/zinc/11/85/84/945118584.db2.gz LLDNMYSCVLJAAS-HNNXBMFYSA-N -1 3 385.815 0.910 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737145 945120532 /nfs/dbraw/zinc/12/05/32/945120532.db2.gz OOQYEGITDHJPLV-INIZCTEOSA-N -1 3 381.396 0.483 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737145 945120537 /nfs/dbraw/zinc/12/05/37/945120537.db2.gz OOQYEGITDHJPLV-INIZCTEOSA-N -1 3 381.396 0.483 20 50 GCGDHM NC(=O)N[C@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737758539 945122492 /nfs/dbraw/zinc/12/24/92/945122492.db2.gz MDYTZKAESKIOKS-CQSZACIVSA-N -1 3 394.395 0.427 20 50 GCGDHM NC(=O)N[C@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737758539 945122499 /nfs/dbraw/zinc/12/24/99/945122499.db2.gz MDYTZKAESKIOKS-CQSZACIVSA-N -1 3 394.395 0.427 20 50 GCGDHM NC(=O)CSc1ccccc1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737754467 945122538 /nfs/dbraw/zinc/12/25/38/945122538.db2.gz VJBXWBZMXCVOBY-UHFFFAOYSA-N -1 3 397.420 0.519 20 50 GCGDHM NC(=O)CSc1ccccc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737754467 945122549 /nfs/dbraw/zinc/12/25/49/945122549.db2.gz VJBXWBZMXCVOBY-UHFFFAOYSA-N -1 3 397.420 0.519 20 50 GCGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNC(=O)COc1ccccc1O ZINC000737798198 945128184 /nfs/dbraw/zinc/12/81/84/945128184.db2.gz HAGLCOLDIQWOLZ-KTKRTIGZSA-N -1 3 380.364 0.812 20 50 GCGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNC(=O)COc1ccccc1O ZINC000737798198 945128188 /nfs/dbraw/zinc/12/81/88/945128188.db2.gz HAGLCOLDIQWOLZ-KTKRTIGZSA-N -1 3 380.364 0.812 20 50 GCGDHM O=C(CCOc1ccccc1)NNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737850461 945138263 /nfs/dbraw/zinc/13/82/63/945138263.db2.gz ZLVAKAXCKFXPMK-UHFFFAOYSA-N -1 3 381.396 0.895 20 50 GCGDHM O=C(CCS(=O)(=O)C1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737849850 945139085 /nfs/dbraw/zinc/13/90/85/945139085.db2.gz JSRNCHWKFVKDAJ-UHFFFAOYSA-N -1 3 392.441 0.375 20 50 GCGDHM O=C(CCS(=O)(=O)C1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737849850 945139089 /nfs/dbraw/zinc/13/90/89/945139089.db2.gz JSRNCHWKFVKDAJ-UHFFFAOYSA-N -1 3 392.441 0.375 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1ccc(F)cc1 ZINC000737890721 945146672 /nfs/dbraw/zinc/14/66/72/945146672.db2.gz XLAUOKOKNXEBMN-UHFFFAOYSA-N -1 3 397.370 0.126 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccc(F)cc1 ZINC000737890721 945146677 /nfs/dbraw/zinc/14/66/77/945146677.db2.gz XLAUOKOKNXEBMN-UHFFFAOYSA-N -1 3 397.370 0.126 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=S)NCCc1cccnc1 ZINC000737930837 945158347 /nfs/dbraw/zinc/15/83/47/945158347.db2.gz OJVASQDZWZASHW-UHFFFAOYSA-N -1 3 398.452 0.379 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=S)NCCc1cccnc1 ZINC000737930837 945158355 /nfs/dbraw/zinc/15/83/55/945158355.db2.gz OJVASQDZWZASHW-UHFFFAOYSA-N -1 3 398.452 0.379 20 50 GCGDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NNC(=O)NCC(F)(F)F ZINC000737941735 945162661 /nfs/dbraw/zinc/16/26/61/945162661.db2.gz QDRNPJHDNMMPPY-UHFFFAOYSA-N -1 3 375.336 0.852 20 50 GCGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCC(F)(F)F ZINC000737941735 945162670 /nfs/dbraw/zinc/16/26/70/945162670.db2.gz QDRNPJHDNMMPPY-UHFFFAOYSA-N -1 3 375.336 0.852 20 50 GCGDHM O=C(Cc1ccsc1)NNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737975213 945171127 /nfs/dbraw/zinc/17/11/27/945171127.db2.gz MZGYKAOEXLUDDD-UHFFFAOYSA-N -1 3 386.397 0.146 20 50 GCGDHM O=C(Cc1ccsc1)NNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737975213 945171135 /nfs/dbraw/zinc/17/11/35/945171135.db2.gz MZGYKAOEXLUDDD-UHFFFAOYSA-N -1 3 386.397 0.146 20 50 GCGDHM O=C(Cc1ccsc1)NNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737974680 945168899 /nfs/dbraw/zinc/16/88/99/945168899.db2.gz GXPWWQWDRZZVLR-UHFFFAOYSA-N -1 3 386.397 0.146 20 50 GCGDHM O=C(Cc1ccsc1)NNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737974680 945168904 /nfs/dbraw/zinc/16/89/04/945168904.db2.gz GXPWWQWDRZZVLR-UHFFFAOYSA-N -1 3 386.397 0.146 20 50 GCGDHM O=C(Cc1ccccc1F)NNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737973620 945169386 /nfs/dbraw/zinc/16/93/86/945169386.db2.gz DYUMUHVMGDFTLX-UHFFFAOYSA-N -1 3 399.390 0.386 20 50 GCGDHM O=C(Cc1ccccc1F)NNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737973620 945169393 /nfs/dbraw/zinc/16/93/93/945169393.db2.gz DYUMUHVMGDFTLX-UHFFFAOYSA-N -1 3 399.390 0.386 20 50 GCGDHM O=C(Cc1ccccc1F)NNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737975139 945171189 /nfs/dbraw/zinc/17/11/89/945171189.db2.gz UHCWRTFYGWTRFY-UHFFFAOYSA-N -1 3 398.358 0.224 20 50 GCGDHM O=C(Cc1ccccc1F)NNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737975139 945171194 /nfs/dbraw/zinc/17/11/94/945171194.db2.gz UHCWRTFYGWTRFY-UHFFFAOYSA-N -1 3 398.358 0.224 20 50 GCGDHM O=C(Cc1ccccc1F)NNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737975122 945171467 /nfs/dbraw/zinc/17/14/67/945171467.db2.gz UFAMSHADTOORKZ-UHFFFAOYSA-N -1 3 398.358 0.224 20 50 GCGDHM O=C(NC[C@@H](O)c1ccc(F)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738042152 945175056 /nfs/dbraw/zinc/17/50/56/945175056.db2.gz VVDUTRIASBMVFZ-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NC[C@@H](O)c1ccc(F)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738042152 945175060 /nfs/dbraw/zinc/17/50/60/945175060.db2.gz VVDUTRIASBMVFZ-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NCc1cc2c([nH]c1=O)CCC2)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738102790 945191260 /nfs/dbraw/zinc/19/12/60/945191260.db2.gz VQLMWKDHTDVCKO-UHFFFAOYSA-N -1 3 394.395 0.600 20 50 GCGDHM O=C(NCc1cc2c([nH]c1=O)CCC2)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738102790 945191264 /nfs/dbraw/zinc/19/12/64/945191264.db2.gz VQLMWKDHTDVCKO-UHFFFAOYSA-N -1 3 394.395 0.600 20 50 GCGDHM O=C(NCc1nnc2n1CCCCC2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738123667 945194010 /nfs/dbraw/zinc/19/40/10/945194010.db2.gz XSONWKANADXEHP-UHFFFAOYSA-N -1 3 396.415 0.329 20 50 GCGDHM O=C(NCc1nnc2n1CCCCC2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738123667 945194017 /nfs/dbraw/zinc/19/40/17/945194017.db2.gz XSONWKANADXEHP-UHFFFAOYSA-N -1 3 396.415 0.329 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129694 945203964 /nfs/dbraw/zinc/20/39/64/945203964.db2.gz HNFIFYSQAZEFQQ-SNVBAGLBSA-N -1 3 397.317 0.039 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129694 945203975 /nfs/dbraw/zinc/20/39/75/945203975.db2.gz HNFIFYSQAZEFQQ-SNVBAGLBSA-N -1 3 397.317 0.039 20 50 GCGDHM O=C(NNC(=O)C1CCN(CC(F)(F)F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130650 945211421 /nfs/dbraw/zinc/21/14/21/945211421.db2.gz UIVUXLKCZPEOFT-UHFFFAOYSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(NNC(=O)C1CCN(CC(F)(F)F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130650 945211423 /nfs/dbraw/zinc/21/14/23/945211423.db2.gz UIVUXLKCZPEOFT-UHFFFAOYSA-N -1 3 397.361 0.902 20 50 GCGDHM O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130515 945211876 /nfs/dbraw/zinc/21/18/76/945211876.db2.gz RIKWVRAWKKZBKA-UHFFFAOYSA-N -1 3 393.411 0.334 20 50 GCGDHM O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130515 945211880 /nfs/dbraw/zinc/21/18/80/945211880.db2.gz RIKWVRAWKKZBKA-UHFFFAOYSA-N -1 3 393.411 0.334 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cnn(-c2ccccc2)c1 ZINC000738134257 945216867 /nfs/dbraw/zinc/21/68/67/945216867.db2.gz IGPISXDPQQXGIZ-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1ccnc(-n2cccn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134681 945220523 /nfs/dbraw/zinc/22/05/23/945220523.db2.gz QMPUSKQHNWFQKU-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1ccnc(-n2cccn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134681 945220531 /nfs/dbraw/zinc/22/05/31/945220531.db2.gz QMPUSKQHNWFQKU-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)NC1CC1 ZINC000738134698 945220612 /nfs/dbraw/zinc/22/06/12/945220612.db2.gz RAVDKHKJZYFCSF-UHFFFAOYSA-N -1 3 380.821 0.116 20 50 GCGDHM O=C(NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)NC1CC1 ZINC000738134698 945220615 /nfs/dbraw/zinc/22/06/15/945220615.db2.gz RAVDKHKJZYFCSF-UHFFFAOYSA-N -1 3 380.821 0.116 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ncon2)cc1 ZINC000738134757 945223017 /nfs/dbraw/zinc/22/30/17/945223017.db2.gz SLEMARGAWUWZOD-UHFFFAOYSA-N -1 3 376.336 0.992 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ncon2)cc1 ZINC000738134757 945223026 /nfs/dbraw/zinc/22/30/26/945223026.db2.gz SLEMARGAWUWZOD-UHFFFAOYSA-N -1 3 376.336 0.992 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1COc2ccccc2C1 ZINC000738136146 945228389 /nfs/dbraw/zinc/22/83/89/945228389.db2.gz FXYYCOAGEIUKMD-AWEZNQCLSA-N -1 3 379.380 0.814 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1COc2ccccc2C1 ZINC000738136146 945228400 /nfs/dbraw/zinc/22/84/00/945228400.db2.gz FXYYCOAGEIUKMD-AWEZNQCLSA-N -1 3 379.380 0.814 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738137569 945243516 /nfs/dbraw/zinc/24/35/16/945243516.db2.gz VPKDHBDSWWEFMT-CQSZACIVSA-N -1 3 398.427 0.308 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H](N2CCCC2=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738137569 945243522 /nfs/dbraw/zinc/24/35/22/945243522.db2.gz VPKDHBDSWWEFMT-CQSZACIVSA-N -1 3 398.427 0.308 20 50 GCGDHM O=C(NNC(=O)c1ccc(N2CCCC2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738137315 945244666 /nfs/dbraw/zinc/24/46/66/945244666.db2.gz TXLLVQRWZBBDLT-UHFFFAOYSA-N -1 3 378.396 0.937 20 50 GCGDHM O=C(NNC(=O)c1ccc(N2CCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738137315 945244675 /nfs/dbraw/zinc/24/46/75/945244675.db2.gz TXLLVQRWZBBDLT-UHFFFAOYSA-N -1 3 378.396 0.937 20 50 GCGDHM O=Cc1cccc(OCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000738316552 945258837 /nfs/dbraw/zinc/25/88/37/945258837.db2.gz FKRUXWPZLZRSKP-UHFFFAOYSA-N -1 3 380.364 0.909 20 50 GCGDHM O=Cc1cccc(OCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000738316552 945258846 /nfs/dbraw/zinc/25/88/46/945258846.db2.gz FKRUXWPZLZRSKP-UHFFFAOYSA-N -1 3 380.364 0.909 20 50 GCGDHM CC(=O)Nc1ccccc1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819825986 945296701 /nfs/dbraw/zinc/29/67/01/945296701.db2.gz BKSGEVANSVHMLM-UHFFFAOYSA-N -1 3 394.395 0.969 20 50 GCGDHM CC(=O)Nc1ccccc1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819825986 945296708 /nfs/dbraw/zinc/29/67/08/945296708.db2.gz BKSGEVANSVHMLM-UHFFFAOYSA-N -1 3 394.395 0.969 20 50 GCGDHM CC(=O)c1cccc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819845242 945297656 /nfs/dbraw/zinc/29/76/56/945297656.db2.gz SHCSUCVOIQQUSZ-UHFFFAOYSA-N -1 3 380.364 0.909 20 50 GCGDHM CC(C)(C)OC(=O)CCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819928040 945314342 /nfs/dbraw/zinc/31/43/42/945314342.db2.gz HAKSRQALEONAGL-UHFFFAOYSA-N -1 3 389.416 0.933 20 50 GCGDHM CC(C)(C)OC(=O)CCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819928040 945314351 /nfs/dbraw/zinc/31/43/51/945314351.db2.gz HAKSRQALEONAGL-UHFFFAOYSA-N -1 3 389.416 0.933 20 50 GCGDHM CC(C)(C)OC(=O)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819928726 945314473 /nfs/dbraw/zinc/31/44/73/945314473.db2.gz VQONKCRQEJJXQA-UHFFFAOYSA-N -1 3 375.389 0.543 20 50 GCGDHM CC(C)(C)OC(=O)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819928726 945314480 /nfs/dbraw/zinc/31/44/80/945314480.db2.gz VQONKCRQEJJXQA-UHFFFAOYSA-N -1 3 375.389 0.543 20 50 GCGDHM CC(C)[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1 ZINC000820047416 945337886 /nfs/dbraw/zinc/33/78/86/945337886.db2.gz YSVMEIOGOHVSDV-CQSZACIVSA-N -1 3 389.485 0.701 20 50 GCGDHM CC(C)[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1 ZINC000820047416 945337893 /nfs/dbraw/zinc/33/78/93/945337893.db2.gz YSVMEIOGOHVSDV-CQSZACIVSA-N -1 3 389.485 0.701 20 50 GCGDHM CC(C)CO[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820096399 945349160 /nfs/dbraw/zinc/34/91/60/945349160.db2.gz BZXNFFWYEQSUEE-HNNXBMFYSA-N -1 3 387.444 0.375 20 50 GCGDHM CC(C)CO[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820096399 945349170 /nfs/dbraw/zinc/34/91/70/945349170.db2.gz BZXNFFWYEQSUEE-HNNXBMFYSA-N -1 3 387.444 0.375 20 50 GCGDHM CC(C)CO[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820096701 945349404 /nfs/dbraw/zinc/34/94/04/945349404.db2.gz FVSYKTPRSUZNGH-LLVKDONJSA-N -1 3 390.400 0.232 20 50 GCGDHM CC(C)CO[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820096701 945349416 /nfs/dbraw/zinc/34/94/16/945349416.db2.gz FVSYKTPRSUZNGH-LLVKDONJSA-N -1 3 390.400 0.232 20 50 GCGDHM CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820132894 945359707 /nfs/dbraw/zinc/35/97/07/945359707.db2.gz MZFFINVFIUMCMP-ZDUSSCGKSA-N -1 3 386.416 0.210 20 50 GCGDHM CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820132894 945359717 /nfs/dbraw/zinc/35/97/17/945359717.db2.gz MZFFINVFIUMCMP-ZDUSSCGKSA-N -1 3 386.416 0.210 20 50 GCGDHM CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820134005 945360937 /nfs/dbraw/zinc/36/09/37/945360937.db2.gz VMPLJZVBCVXAGQ-ZDUSSCGKSA-N -1 3 386.416 0.210 20 50 GCGDHM CC(C)NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820134005 945360949 /nfs/dbraw/zinc/36/09/49/945360949.db2.gz VMPLJZVBCVXAGQ-ZDUSSCGKSA-N -1 3 386.416 0.210 20 50 GCGDHM CC(C)c1n[nH]cc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820184237 945367493 /nfs/dbraw/zinc/36/74/93/945367493.db2.gz XXGUHNHVQDOAGC-UHFFFAOYSA-N -1 3 398.383 0.331 20 50 GCGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000735448059 944655175 /nfs/dbraw/zinc/65/51/75/944655175.db2.gz OGOQVEVZQBIRPQ-UHFFFAOYSA-N -1 3 385.409 0.668 20 50 GCGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000735448059 944655180 /nfs/dbraw/zinc/65/51/80/944655180.db2.gz OGOQVEVZQBIRPQ-UHFFFAOYSA-N -1 3 385.409 0.668 20 50 GCGDHM CC(=O)NC1CCC(NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735474462 944662828 /nfs/dbraw/zinc/66/28/28/944662828.db2.gz JKGKLQPJBHSKPW-UHFFFAOYSA-N -1 3 386.416 0.258 20 50 GCGDHM CC(=O)NC1CCC(NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735474462 944662833 /nfs/dbraw/zinc/66/28/33/944662833.db2.gz JKGKLQPJBHSKPW-UHFFFAOYSA-N -1 3 386.416 0.258 20 50 GCGDHM CC(=O)NC1CCC(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000735476593 944664285 /nfs/dbraw/zinc/66/42/85/944664285.db2.gz YLMABTZOAKUPBD-ZSOIEALJSA-N -1 3 396.455 0.984 20 50 GCGDHM CC(=O)NC1CCC(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000735476593 944664294 /nfs/dbraw/zinc/66/42/94/944664294.db2.gz YLMABTZOAKUPBD-ZSOIEALJSA-N -1 3 396.455 0.984 20 50 GCGDHM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735585754 944673991 /nfs/dbraw/zinc/67/39/91/944673991.db2.gz FDXWMJCWXGMNOJ-CYBMUJFWSA-N -1 3 385.428 0.665 20 50 GCGDHM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735585754 944673996 /nfs/dbraw/zinc/67/39/96/944673996.db2.gz FDXWMJCWXGMNOJ-CYBMUJFWSA-N -1 3 385.428 0.665 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735589834 944675455 /nfs/dbraw/zinc/67/54/55/944675455.db2.gz PLRFNTRYUUKZBS-UHFFFAOYSA-N -1 3 387.448 0.607 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735589834 944675465 /nfs/dbraw/zinc/67/54/65/944675465.db2.gz PLRFNTRYUUKZBS-UHFFFAOYSA-N -1 3 387.448 0.607 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000735590174 944675741 /nfs/dbraw/zinc/67/57/41/944675741.db2.gz VJEGZFSLEBJMLD-UHFFFAOYSA-N -1 3 390.423 0.915 20 50 GCGDHM CC(C)(C)C(=O)NNC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000735590174 944675749 /nfs/dbraw/zinc/67/57/49/944675749.db2.gz VJEGZFSLEBJMLD-UHFFFAOYSA-N -1 3 390.423 0.915 20 50 GCGDHM CC(C)(C)S(=O)(=O)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735642492 944684768 /nfs/dbraw/zinc/68/47/68/944684768.db2.gz BRAPREIUUJIVSC-UHFFFAOYSA-N -1 3 395.445 0.024 20 50 GCGDHM CC(C)(C)S(=O)(=O)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735642492 944684775 /nfs/dbraw/zinc/68/47/75/944684775.db2.gz BRAPREIUUJIVSC-UHFFFAOYSA-N -1 3 395.445 0.024 20 50 GCGDHM CC(C)CCC(=O)NNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000735794801 944701043 /nfs/dbraw/zinc/70/10/43/944701043.db2.gz FGRCWWSFQHFXCV-UHFFFAOYSA-N -1 3 387.448 0.561 20 50 GCGDHM CC(C)CCC(=O)NNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000735794801 944701049 /nfs/dbraw/zinc/70/10/49/944701049.db2.gz FGRCWWSFQHFXCV-UHFFFAOYSA-N -1 3 387.448 0.561 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736140828 944748979 /nfs/dbraw/zinc/74/89/79/944748979.db2.gz CYQAROIDPTXZGI-INIZCTEOSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736140828 944748988 /nfs/dbraw/zinc/74/89/88/944748988.db2.gz CYQAROIDPTXZGI-INIZCTEOSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736140948 944749210 /nfs/dbraw/zinc/74/92/10/944749210.db2.gz FLMVISZXVHYBIX-SFHVURJKSA-N -1 3 381.396 0.718 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736140948 944749218 /nfs/dbraw/zinc/74/92/18/944749218.db2.gz FLMVISZXVHYBIX-SFHVURJKSA-N -1 3 381.396 0.718 20 50 GCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C ZINC000736162203 944751457 /nfs/dbraw/zinc/75/14/57/944751457.db2.gz BKGZWOGKJKGMOH-AAEUAGOBSA-N -1 3 394.457 0.126 20 50 GCGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NN[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736179113 944754031 /nfs/dbraw/zinc/75/40/31/944754031.db2.gz ZBEWBYBRNOIVHZ-BMIGLBTASA-N -1 3 399.386 0.621 20 50 GCGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736179113 944754033 /nfs/dbraw/zinc/75/40/33/944754033.db2.gz ZBEWBYBRNOIVHZ-BMIGLBTASA-N -1 3 399.386 0.621 20 50 GCGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)CNc1ccccc1 ZINC000736183330 944755641 /nfs/dbraw/zinc/75/56/41/944755641.db2.gz KACZWXIHKFWXNY-LBPRGKRZSA-N -1 3 381.396 0.894 20 50 GCGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)CNc1ccccc1 ZINC000736183330 944755649 /nfs/dbraw/zinc/75/56/49/944755649.db2.gz KACZWXIHKFWXNY-LBPRGKRZSA-N -1 3 381.396 0.894 20 50 GCGDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736223659 944768036 /nfs/dbraw/zinc/76/80/36/944768036.db2.gz JOIUFDHIZZXQTA-LIOSHXBBSA-N -1 3 377.430 0.062 20 50 GCGDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736223659 944768039 /nfs/dbraw/zinc/76/80/39/944768039.db2.gz JOIUFDHIZZXQTA-LIOSHXBBSA-N -1 3 377.430 0.062 20 50 GCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736303057 944791975 /nfs/dbraw/zinc/79/19/75/944791975.db2.gz JNXXXBQHXVPNDF-LLVKDONJSA-N -1 3 390.423 0.074 20 50 GCGDHM C[C@H]1Oc2c(cccc2C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)NC1=O ZINC000736305711 944795530 /nfs/dbraw/zinc/79/55/30/944795530.db2.gz YYZOCCBBSNTXBG-SECBINFHSA-N -1 3 393.363 0.661 20 50 GCGDHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736320625 944798799 /nfs/dbraw/zinc/79/87/99/944798799.db2.gz VMDOHYLDQOZMDQ-IUODEOHRSA-N -1 3 399.455 0.912 20 50 GCGDHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736320625 944798807 /nfs/dbraw/zinc/79/88/07/944798807.db2.gz VMDOHYLDQOZMDQ-IUODEOHRSA-N -1 3 399.455 0.912 20 50 GCGDHM CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736409040 944815718 /nfs/dbraw/zinc/81/57/18/944815718.db2.gz CEZDPNMPWFOFGB-AWEZNQCLSA-N -1 3 385.428 0.809 20 50 GCGDHM CCCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736409040 944815724 /nfs/dbraw/zinc/81/57/24/944815724.db2.gz CEZDPNMPWFOFGB-AWEZNQCLSA-N -1 3 385.428 0.809 20 50 GCGDHM CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736413236 944815925 /nfs/dbraw/zinc/81/59/25/944815925.db2.gz WSMUMLZVNDZDNT-AWEZNQCLSA-N -1 3 385.428 0.666 20 50 GCGDHM CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736413236 944815932 /nfs/dbraw/zinc/81/59/32/944815932.db2.gz WSMUMLZVNDZDNT-AWEZNQCLSA-N -1 3 385.428 0.666 20 50 GCGDHM CCOC(=O)[C@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCO1 ZINC000736594598 944851544 /nfs/dbraw/zinc/85/15/44/944851544.db2.gz SUTQBZNZJPPTGD-MYWXAZLQSA-N -1 3 399.411 0.211 20 50 GCGDHM CCOC(=O)[C@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCO1 ZINC000736594598 944851552 /nfs/dbraw/zinc/85/15/52/944851552.db2.gz SUTQBZNZJPPTGD-MYWXAZLQSA-N -1 3 399.411 0.211 20 50 GCGDHM CCS(=O)(=O)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736655703 944863458 /nfs/dbraw/zinc/86/34/58/944863458.db2.gz DQGMDBBWAORSIF-FYTLYHSASA-N -1 3 391.457 0.360 20 50 GCGDHM CCS(=O)(=O)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736655703 944863462 /nfs/dbraw/zinc/86/34/62/944863462.db2.gz DQGMDBBWAORSIF-FYTLYHSASA-N -1 3 391.457 0.360 20 50 GCGDHM CN(C)C(=O)C1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736744885 944880994 /nfs/dbraw/zinc/88/09/94/944880994.db2.gz CYXVXECJCQKOFQ-UHFFFAOYSA-N -1 3 386.416 0.021 20 50 GCGDHM CN(C)C(=O)C1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736744885 944881002 /nfs/dbraw/zinc/88/10/02/944881002.db2.gz CYXVXECJCQKOFQ-UHFFFAOYSA-N -1 3 386.416 0.021 20 50 GCGDHM CN(C)C(=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736752037 944883164 /nfs/dbraw/zinc/88/31/64/944883164.db2.gz RVBBIQDIFZJBHT-UHFFFAOYSA-N -1 3 379.380 0.643 20 50 GCGDHM CN(C)C(=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736752037 944883173 /nfs/dbraw/zinc/88/31/73/944883173.db2.gz RVBBIQDIFZJBHT-UHFFFAOYSA-N -1 3 379.380 0.643 20 50 GCGDHM CN(C)[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736760142 944883263 /nfs/dbraw/zinc/88/32/63/944883263.db2.gz PRLBVXSLJLXRCL-MRXNPFEDSA-N -1 3 379.424 0.801 20 50 GCGDHM CN(C)N(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000736771778 944888304 /nfs/dbraw/zinc/88/83/04/944888304.db2.gz RMIIDCKVPNUDDL-LBPRGKRZSA-N -1 3 396.498 0.451 20 50 GCGDHM CN(C)N(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000736771778 944888311 /nfs/dbraw/zinc/88/83/11/944888311.db2.gz RMIIDCKVPNUDDL-LBPRGKRZSA-N -1 3 396.498 0.451 20 50 GCGDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736778882 944888742 /nfs/dbraw/zinc/88/87/42/944888742.db2.gz HSRAZRYKHQFDRM-UHFFFAOYSA-N -1 3 396.367 0.916 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000736782526 944890797 /nfs/dbraw/zinc/89/07/97/944890797.db2.gz CLWKZYSTLBHTON-UHFFFAOYSA-N -1 3 375.389 0.495 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000736782526 944890804 /nfs/dbraw/zinc/89/08/04/944890804.db2.gz CLWKZYSTLBHTON-UHFFFAOYSA-N -1 3 375.389 0.495 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cn1 ZINC000736783629 944891002 /nfs/dbraw/zinc/89/10/02/944891002.db2.gz NTSBWJLGVUONRQ-UHFFFAOYSA-N -1 3 386.803 0.813 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cn1 ZINC000736783629 944891008 /nfs/dbraw/zinc/89/10/08/944891008.db2.gz NTSBWJLGVUONRQ-UHFFFAOYSA-N -1 3 386.803 0.813 20 50 GCGDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NNC(=O)CNC(=O)c1ccco1 ZINC000736818057 944896080 /nfs/dbraw/zinc/89/60/80/944896080.db2.gz MDADGHAAHBGVJM-UHFFFAOYSA-N -1 3 398.383 0.062 20 50 GCGDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)CNC(=O)c1ccco1 ZINC000736818057 944896086 /nfs/dbraw/zinc/89/60/86/944896086.db2.gz MDADGHAAHBGVJM-UHFFFAOYSA-N -1 3 398.383 0.062 20 50 GCGDHM CNc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000736886316 944905580 /nfs/dbraw/zinc/90/55/80/944905580.db2.gz HMDIRJGEDWMXSA-UHFFFAOYSA-N -1 3 382.340 0.891 20 50 GCGDHM CNc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000736886316 944905589 /nfs/dbraw/zinc/90/55/89/944905589.db2.gz HMDIRJGEDWMXSA-UHFFFAOYSA-N -1 3 382.340 0.891 20 50 GCGDHM CNC(=O)c1cncc(C=CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736882061 944906299 /nfs/dbraw/zinc/90/62/99/944906299.db2.gz HIKYWCDXOKEJSP-WAYWQWQTSA-N -1 3 392.379 0.096 20 50 GCGDHM CNC(=O)c1cncc(C=CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736882061 944906306 /nfs/dbraw/zinc/90/63/06/944906306.db2.gz HIKYWCDXOKEJSP-WAYWQWQTSA-N -1 3 392.379 0.096 20 50 GCGDHM COC(=O)C1CCC(NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736912114 944912823 /nfs/dbraw/zinc/91/28/23/944912823.db2.gz YXSZLBRCMQASRB-UHFFFAOYSA-N -1 3 387.400 0.543 20 50 GCGDHM COC(=O)C1CCC(NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736912114 944912828 /nfs/dbraw/zinc/91/28/28/944912828.db2.gz YXSZLBRCMQASRB-UHFFFAOYSA-N -1 3 387.400 0.543 20 50 GCGDHM COc1ccc(OCCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737110930 944961615 /nfs/dbraw/zinc/96/16/15/944961615.db2.gz FBPRUYDHCXNLSK-UHFFFAOYSA-N -1 3 397.395 0.898 20 50 GCGDHM COc1ccc(OCCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737110930 944961621 /nfs/dbraw/zinc/96/16/21/944961621.db2.gz FBPRUYDHCXNLSK-UHFFFAOYSA-N -1 3 397.395 0.898 20 50 GCGDHM COc1ccccc1C(=O)NNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737138892 944966070 /nfs/dbraw/zinc/96/60/70/944966070.db2.gz RLKSFNSDIQOSOE-UHFFFAOYSA-N -1 3 397.399 0.326 20 50 GCGDHM COc1ccccc1C(=O)NNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737138892 944966074 /nfs/dbraw/zinc/96/60/74/944966074.db2.gz RLKSFNSDIQOSOE-UHFFFAOYSA-N -1 3 397.399 0.326 20 50 GCGDHM COc1ccccc1C(=O)NNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737136924 944966401 /nfs/dbraw/zinc/96/64/01/944966401.db2.gz ANNVFVSUVSPOCF-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM COc1ccccc1C(=O)NNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737136924 944966405 /nfs/dbraw/zinc/96/64/05/944966405.db2.gz ANNVFVSUVSPOCF-UHFFFAOYSA-N -1 3 395.379 0.066 20 50 GCGDHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737163472 944975167 /nfs/dbraw/zinc/97/51/67/944975167.db2.gz XRFJYNUQTHUUCV-WCQYABFASA-N -1 3 379.446 0.849 20 50 GCGDHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737163472 944975177 /nfs/dbraw/zinc/97/51/77/944975177.db2.gz XRFJYNUQTHUUCV-WCQYABFASA-N -1 3 379.446 0.849 20 50 GCGDHM C[S@@](=O)Cc1cccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737173564 944976434 /nfs/dbraw/zinc/97/64/34/944976434.db2.gz PJIXNPPXSVNHNJ-HHHXNRCGSA-N -1 3 384.421 0.820 20 50 GCGDHM C[S@@](=O)Cc1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737173564 944976439 /nfs/dbraw/zinc/97/64/39/944976439.db2.gz PJIXNPPXSVNHNJ-HHHXNRCGSA-N -1 3 384.421 0.820 20 50 GCGDHM CSc1nc(C2CC2)cc(C(=O)NNC(=O)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000737188790 944978602 /nfs/dbraw/zinc/97/86/02/944978602.db2.gz GQVPBSDCTQCQMD-UHFFFAOYSA-N -1 3 399.440 0.669 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2CCOCC2(C)C)cc(-c2nn[n-]n2)n1C ZINC000737211603 944987647 /nfs/dbraw/zinc/98/76/47/944987647.db2.gz DLOSDSRDHDYWGL-OQLLNIDSSA-N -1 3 398.471 0.648 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000737211532 944987663 /nfs/dbraw/zinc/98/76/63/944987663.db2.gz CKFBIFFXBQQEAZ-JSJZCHLLSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC[C@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000737211532 944987668 /nfs/dbraw/zinc/98/76/68/944987668.db2.gz CKFBIFFXBQQEAZ-JSJZCHLLSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2CCOC[C@@H]2C)cc(-c2nn[n-]n2)n1C ZINC000737212162 944990788 /nfs/dbraw/zinc/99/07/88/944990788.db2.gz ICOOINRVZOZTKU-AAWHYMEISA-N -1 3 384.444 0.258 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCN2CCCC2=O)cc(-c2nnn[n-]2)n1C ZINC000737212054 944991411 /nfs/dbraw/zinc/99/14/11/944991411.db2.gz HIOLMVSHADXUTN-ZROIWOOFSA-N -1 3 383.412 0.976 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCN2CCCC2=O)cc(-c2nn[n-]n2)n1C ZINC000737212054 944991415 /nfs/dbraw/zinc/99/14/15/944991415.db2.gz HIOLMVSHADXUTN-ZROIWOOFSA-N -1 3 383.412 0.976 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000737212650 944995160 /nfs/dbraw/zinc/99/51/60/944995160.db2.gz LUPPHXPSGYTPHZ-GUVYXZIWSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212650 944995163 /nfs/dbraw/zinc/99/51/63/944995163.db2.gz LUPPHXPSGYTPHZ-GUVYXZIWSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc(-c2nnn[n-]2)n1C ZINC000737213958 945011885 /nfs/dbraw/zinc/01/18/85/945011885.db2.gz ZHFXFCDPTYSJLM-MVXISAMASA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc(-c2nn[n-]n2)n1C ZINC000737213958 945011902 /nfs/dbraw/zinc/01/19/02/945011902.db2.gz ZHFXFCDPTYSJLM-MVXISAMASA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1[nH]nc2nc(C)cc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)c12 ZINC000737236822 945016550 /nfs/dbraw/zinc/01/65/50/945016550.db2.gz SHANCZZKCMQPJF-UHFFFAOYSA-N -1 3 377.368 0.830 20 50 GCGDHM Cc1[nH]nc2nc(C)cc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)c12 ZINC000737236822 945016559 /nfs/dbraw/zinc/01/65/59/945016559.db2.gz SHANCZZKCMQPJF-UHFFFAOYSA-N -1 3 377.368 0.830 20 50 GCGDHM Cc1cc(C)[nH]c(=NNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000737255671 945021796 /nfs/dbraw/zinc/02/17/96/945021796.db2.gz BTZFTSQTHRMMGT-UHFFFAOYSA-N -1 3 391.399 0.798 20 50 GCGDHM Cc1cc(C)[nH]c(=NNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000737255671 945021805 /nfs/dbraw/zinc/02/18/05/945021805.db2.gz BTZFTSQTHRMMGT-UHFFFAOYSA-N -1 3 391.399 0.798 20 50 GCGDHM Cc1ccc(C)c(OCC(=O)NN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737326270 945039626 /nfs/dbraw/zinc/03/96/26/945039626.db2.gz NVYPMEOKLPKQOX-QGZVFWFLSA-N -1 3 395.423 0.710 20 50 GCGDHM Cc1ccc(C)c(OCC(=O)NN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737326270 945039635 /nfs/dbraw/zinc/03/96/35/945039635.db2.gz NVYPMEOKLPKQOX-QGZVFWFLSA-N -1 3 395.423 0.710 20 50 GCGDHM Cc1cccc(OCC(=O)NN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737400933 945059771 /nfs/dbraw/zinc/05/97/71/945059771.db2.gz HMHHXCZFMDKXGN-MRXNPFEDSA-N -1 3 381.396 0.401 20 50 GCGDHM Cc1cccc(OCC(=O)NN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737400933 945059782 /nfs/dbraw/zinc/05/97/82/945059782.db2.gz HMHHXCZFMDKXGN-MRXNPFEDSA-N -1 3 381.396 0.401 20 50 GCGDHM C[C@H](CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000820270224 945404771 /nfs/dbraw/zinc/40/47/71/945404771.db2.gz XWMWVAMBSMOVGH-GFCCVEGCSA-N -1 3 396.411 0.775 20 50 GCGDHM C[C@H](Cc1ccncc1)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820299209 945408348 /nfs/dbraw/zinc/40/83/48/945408348.db2.gz DWJZGZFBGOLJDE-GFCCVEGCSA-N -1 3 396.411 0.602 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC000820373446 945434008 /nfs/dbraw/zinc/43/40/08/945434008.db2.gz HRZRVVVYEVMIMT-GHMZBOCLSA-N -1 3 375.389 0.001 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000820373446 945434016 /nfs/dbraw/zinc/43/40/16/945434016.db2.gz HRZRVVVYEVMIMT-GHMZBOCLSA-N -1 3 375.389 0.001 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCOC1 ZINC000820372835 945434033 /nfs/dbraw/zinc/43/40/33/945434033.db2.gz BZHGMCXLFCKINL-ZYHUDNBSSA-N -1 3 375.389 0.001 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC000820375076 945440934 /nfs/dbraw/zinc/44/09/34/945440934.db2.gz XMADBFFKUQQFJN-JTQLQIEISA-N -1 3 385.388 0.071 20 50 GCGDHM C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820468039 945460512 /nfs/dbraw/zinc/46/05/12/945460512.db2.gz PRJLKOHMNBHPLQ-IBGZPJMESA-N -1 3 396.407 0.387 20 50 GCGDHM C[C@]1(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCCO1 ZINC000820618724 945499656 /nfs/dbraw/zinc/49/96/56/945499656.db2.gz MWWKKKHRNRHSAF-MRXNPFEDSA-N -1 3 375.389 0.145 20 50 GCGDHM C[C@]1(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCCO1 ZINC000820618724 945499662 /nfs/dbraw/zinc/49/96/62/945499662.db2.gz MWWKKKHRNRHSAF-MRXNPFEDSA-N -1 3 375.389 0.145 20 50 GCGDHM C[C@@H]1CC/C(=C\C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820677168 945521591 /nfs/dbraw/zinc/52/15/91/945521591.db2.gz PRWSHQQRWAWXAX-LWMMSDEHSA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@@H]1CC/C(=C\C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820677168 945521598 /nfs/dbraw/zinc/52/15/98/945521598.db2.gz PRWSHQQRWAWXAX-LWMMSDEHSA-N -1 3 384.396 0.917 20 50 GCGDHM C[C@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690009 945527150 /nfs/dbraw/zinc/52/71/50/945527150.db2.gz FFOFKLOWPHGFSM-SMDDNHRTSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690009 945527158 /nfs/dbraw/zinc/52/71/58/945527158.db2.gz FFOFKLOWPHGFSM-SMDDNHRTSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000820742975 945542176 /nfs/dbraw/zinc/54/21/76/945542176.db2.gz ORTDEAIDYSPUSS-KCJUWKMLSA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000820742975 945542181 /nfs/dbraw/zinc/54/21/81/945542181.db2.gz ORTDEAIDYSPUSS-KCJUWKMLSA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C(F)(F)F)O1 ZINC000820744361 945545272 /nfs/dbraw/zinc/54/52/72/945545272.db2.gz YFUNYXPXDBEXDE-KWQFWETISA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C(F)(F)F)O1 ZINC000820744361 945545283 /nfs/dbraw/zinc/54/52/83/945545283.db2.gz YFUNYXPXDBEXDE-KWQFWETISA-N -1 3 399.333 0.873 20 50 GCGDHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820770031 945556475 /nfs/dbraw/zinc/55/64/75/945556475.db2.gz YUPHYTFNAUUIGE-GWCFXTLKSA-N -1 3 394.461 0.163 20 50 GCGDHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820770031 945556482 /nfs/dbraw/zinc/55/64/82/945556482.db2.gz YUPHYTFNAUUIGE-GWCFXTLKSA-N -1 3 394.461 0.163 20 50 GCGDHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820770041 945557152 /nfs/dbraw/zinc/55/71/52/945557152.db2.gz YUPHYTFNAUUIGE-MFKMUULPSA-N -1 3 394.461 0.163 20 50 GCGDHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820770041 945557155 /nfs/dbraw/zinc/55/71/55/945557155.db2.gz YUPHYTFNAUUIGE-MFKMUULPSA-N -1 3 394.461 0.163 20 50 GCGDHM CC[C@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820973599 945601972 /nfs/dbraw/zinc/60/19/72/945601972.db2.gz YFGIZNRGVAKFEG-QWHCGFSZSA-N -1 3 388.384 0.129 20 50 GCGDHM CC[C@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820973599 945601980 /nfs/dbraw/zinc/60/19/80/945601980.db2.gz YFGIZNRGVAKFEG-QWHCGFSZSA-N -1 3 388.384 0.129 20 50 GCGDHM CCCC[C@H](NC(=O)NCC)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821043919 945623261 /nfs/dbraw/zinc/62/32/61/945623261.db2.gz VOIQRMIEAZWSSY-ZDUSSCGKSA-N -1 3 388.432 0.506 20 50 GCGDHM CCCC[C@H](NC(=O)NCC)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821043919 945623269 /nfs/dbraw/zinc/62/32/69/945623269.db2.gz VOIQRMIEAZWSSY-ZDUSSCGKSA-N -1 3 388.432 0.506 20 50 GCGDHM CCCCC[C@@H](O)CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821050054 945626203 /nfs/dbraw/zinc/62/62/03/945626203.db2.gz PEMUVOBTDMKFSF-CYBMUJFWSA-N -1 3 376.417 0.724 20 50 GCGDHM CCCc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n[nH]1 ZINC000821138953 945639661 /nfs/dbraw/zinc/63/96/61/945639661.db2.gz LRQHWPSYPTWKAM-UHFFFAOYSA-N -1 3 398.383 0.160 20 50 GCGDHM CCCc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC000821138953 945639666 /nfs/dbraw/zinc/63/96/66/945639666.db2.gz LRQHWPSYPTWKAM-UHFFFAOYSA-N -1 3 398.383 0.160 20 50 GCGDHM CCOCCC1(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000821373868 945685795 /nfs/dbraw/zinc/68/57/95/945685795.db2.gz MUTQNIBZKSITSE-UHFFFAOYSA-N -1 3 388.428 0.990 20 50 GCGDHM CCOc1ccc(C(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1OC ZINC000821418109 945692148 /nfs/dbraw/zinc/69/21/48/945692148.db2.gz WFXUIFAQMFQDPT-UHFFFAOYSA-N -1 3 385.384 0.687 20 50 GCGDHM CCOc1ccc(C(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1OC ZINC000821418109 945692158 /nfs/dbraw/zinc/69/21/58/945692158.db2.gz WFXUIFAQMFQDPT-UHFFFAOYSA-N -1 3 385.384 0.687 20 50 GCGDHM CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821427668 945692265 /nfs/dbraw/zinc/69/22/65/945692265.db2.gz XYCUIBDMCMSGIX-SNVBAGLBSA-N -1 3 385.384 0.822 20 50 GCGDHM CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821427668 945692274 /nfs/dbraw/zinc/69/22/74/945692274.db2.gz XYCUIBDMCMSGIX-SNVBAGLBSA-N -1 3 385.384 0.822 20 50 GCGDHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821509471 945712839 /nfs/dbraw/zinc/71/28/39/945712839.db2.gz IABMLLDNBRWLTA-LBPRGKRZSA-N -1 3 396.415 0.500 20 50 GCGDHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821509471 945712844 /nfs/dbraw/zinc/71/28/44/945712844.db2.gz IABMLLDNBRWLTA-LBPRGKRZSA-N -1 3 396.415 0.500 20 50 GCGDHM CN(C)C(=O)[C@H](NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000821574409 945721006 /nfs/dbraw/zinc/72/10/06/945721006.db2.gz FMEGYHKIVURZBL-QGZVFWFLSA-N -1 3 395.423 0.696 20 50 GCGDHM CN(C)C(=O)[C@H](NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000821574409 945721016 /nfs/dbraw/zinc/72/10/16/945721016.db2.gz FMEGYHKIVURZBL-QGZVFWFLSA-N -1 3 395.423 0.696 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccccc1F ZINC000821593590 945730380 /nfs/dbraw/zinc/73/03/80/945730380.db2.gz ACOWDZJSJUNKNV-UHFFFAOYSA-N -1 3 383.387 0.899 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccccc1F ZINC000821593590 945730385 /nfs/dbraw/zinc/73/03/85/945730385.db2.gz ACOWDZJSJUNKNV-UHFFFAOYSA-N -1 3 383.387 0.899 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1cccc(O)c1 ZINC000821593874 945732288 /nfs/dbraw/zinc/73/22/88/945732288.db2.gz NVNCAJPGDLULDB-UHFFFAOYSA-N -1 3 381.396 0.465 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1cccc(O)c1 ZINC000821593874 945732293 /nfs/dbraw/zinc/73/22/93/945732293.db2.gz NVNCAJPGDLULDB-UHFFFAOYSA-N -1 3 381.396 0.465 20 50 GCGDHM CN(CCc1ccccc1F)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821605179 945740131 /nfs/dbraw/zinc/74/01/31/945740131.db2.gz YOYOPCJTDYSDEB-UHFFFAOYSA-N -1 3 397.414 0.941 20 50 GCGDHM CN(CCc1ccccc1F)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821605179 945740137 /nfs/dbraw/zinc/74/01/37/945740137.db2.gz YOYOPCJTDYSDEB-UHFFFAOYSA-N -1 3 397.414 0.941 20 50 GCGDHM CN(CCc1cccs1)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821607227 945740958 /nfs/dbraw/zinc/74/09/58/945740958.db2.gz FAMDPGHHNDVYQF-UHFFFAOYSA-N -1 3 385.453 0.864 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644599 945767576 /nfs/dbraw/zinc/76/75/76/945767576.db2.gz DJTFVPISWXEUOH-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644599 945767583 /nfs/dbraw/zinc/76/75/83/945767583.db2.gz DJTFVPISWXEUOH-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C[C@H]1C ZINC000821655089 945778956 /nfs/dbraw/zinc/77/89/56/945778956.db2.gz FCBPJANWKARLLO-SWRDDQAMSA-N -1 3 383.412 0.688 20 50 GCGDHM COC(=O)[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C[C@H]1C ZINC000821655089 945778962 /nfs/dbraw/zinc/77/89/62/945778962.db2.gz FCBPJANWKARLLO-SWRDDQAMSA-N -1 3 383.412 0.688 20 50 GCGDHM COC(=O)C[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C1CC1 ZINC000821657611 945781674 /nfs/dbraw/zinc/78/16/74/945781674.db2.gz RGOYXKOSFHRXHN-CNTYAEFGSA-N -1 3 383.412 0.879 20 50 GCGDHM COC(=O)C[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C1CC1 ZINC000821657611 945781684 /nfs/dbraw/zinc/78/16/84/945781684.db2.gz RGOYXKOSFHRXHN-CNTYAEFGSA-N -1 3 383.412 0.879 20 50 GCGDHM COC[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821682376 945804072 /nfs/dbraw/zinc/80/40/72/945804072.db2.gz DABIHLVDYAHKJQ-ZDUSSCGKSA-N -1 3 377.405 0.247 20 50 GCGDHM COCCC1(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000821685333 945811198 /nfs/dbraw/zinc/81/11/98/945811198.db2.gz ACZPWWFKROPXOI-UHFFFAOYSA-N -1 3 388.428 0.990 20 50 GCGDHM COCCOC[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821692301 945822992 /nfs/dbraw/zinc/82/29/92/945822992.db2.gz UKUVWOMUTZAURC-LBPRGKRZSA-N -1 3 389.416 0.206 20 50 GCGDHM COCCOC[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821692301 945823003 /nfs/dbraw/zinc/82/30/03/945823003.db2.gz UKUVWOMUTZAURC-LBPRGKRZSA-N -1 3 389.416 0.206 20 50 GCGDHM COCCOC[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821692364 945824822 /nfs/dbraw/zinc/82/48/22/945824822.db2.gz VSMLXPAXVHLDQW-LBPRGKRZSA-N -1 3 389.416 0.206 20 50 GCGDHM COCCOC[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821692364 945824836 /nfs/dbraw/zinc/82/48/36/945824836.db2.gz VSMLXPAXVHLDQW-LBPRGKRZSA-N -1 3 389.416 0.206 20 50 GCGDHM COc1cc(C(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc(OC)c1OC ZINC000821702897 945838768 /nfs/dbraw/zinc/83/87/68/945838768.db2.gz GAUWCYQHLWZLIB-UHFFFAOYSA-N -1 3 387.356 0.295 20 50 GCGDHM COc1cc(C(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc(OC)c1OC ZINC000821702897 945838776 /nfs/dbraw/zinc/83/87/76/945838776.db2.gz GAUWCYQHLWZLIB-UHFFFAOYSA-N -1 3 387.356 0.295 20 50 GCGDHM COc1cc(F)cc(NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821719311 945845219 /nfs/dbraw/zinc/84/52/19/945845219.db2.gz BAQKWHAKOWALAT-UHFFFAOYSA-N -1 3 385.359 0.888 20 50 GCGDHM COc1cc(F)cc(NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821719311 945845226 /nfs/dbraw/zinc/84/52/26/945845226.db2.gz BAQKWHAKOWALAT-UHFFFAOYSA-N -1 3 385.359 0.888 20 50 GCGDHM COc1ccccc1C(=O)NNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821882665 945893523 /nfs/dbraw/zinc/89/35/23/945893523.db2.gz HLUJXNITVAZGQO-UHFFFAOYSA-N -1 3 397.395 0.898 20 50 GCGDHM CS[C@H]1CC[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000821949026 945909322 /nfs/dbraw/zinc/90/93/22/945909322.db2.gz FFGQPUZCJNRHDJ-QWRGUYRKSA-N -1 3 391.457 0.860 20 50 GCGDHM CS[C@H]1CC[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000821949026 945909329 /nfs/dbraw/zinc/90/93/29/945909329.db2.gz FFGQPUZCJNRHDJ-QWRGUYRKSA-N -1 3 391.457 0.860 20 50 GCGDHM CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821950409 945909473 /nfs/dbraw/zinc/90/94/73/945909473.db2.gz MYRDRNVXBSYYAV-DGCLKSJQSA-N -1 3 391.457 0.860 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc(-c2nnn[n-]2)n1C ZINC000822027663 945935848 /nfs/dbraw/zinc/93/58/48/945935848.db2.gz IUYQHZLVQJCDLB-QENILXLESA-N -1 3 396.411 0.724 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc(-c2nn[n-]n2)n1C ZINC000822027663 945935852 /nfs/dbraw/zinc/93/58/52/945935852.db2.gz IUYQHZLVQJCDLB-QENILXLESA-N -1 3 396.411 0.724 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCc3c[nH]nc3C2)cc(-c2nn[n-]n2)n1C ZINC000822028016 945938828 /nfs/dbraw/zinc/93/88/28/945938828.db2.gz KSEOEENJTAVGAU-UUSOHVMFSA-N -1 3 377.412 0.817 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc(-c2nn[n-]n2)n1C ZINC000822028009 945939865 /nfs/dbraw/zinc/93/98/65/945939865.db2.gz KSEOEENJTAVGAU-BRRGFWCPSA-N -1 3 377.412 0.817 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN([C@@H]3CCOC3)CC2)cc(-c2nn[n-]n2)n1C ZINC000822027964 945939917 /nfs/dbraw/zinc/93/99/17/945939917.db2.gz KPDSXDWLIIYGRI-QOBZYLRHSA-N -1 3 396.455 0.354 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](OCCO)C2)cc(-c2nnn[n-]2)n1C ZINC000822028220 945941965 /nfs/dbraw/zinc/94/19/65/945941965.db2.gz MIUCPQSWVYETIR-CKNOQMABSA-N -1 3 385.428 0.421 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](OCCO)C2)cc(-c2nn[n-]n2)n1C ZINC000822028220 945941977 /nfs/dbraw/zinc/94/19/77/945941977.db2.gz MIUCPQSWVYETIR-CKNOQMABSA-N -1 3 385.428 0.421 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC(OCC(F)F)C2)cc(-c2nnn[n-]2)n1C ZINC000822028600 945947427 /nfs/dbraw/zinc/94/74/27/945947427.db2.gz QSQKOJGGBSXMAQ-QDEBKDIKSA-N -1 3 377.355 0.913 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC(OCC(F)F)C2)cc(-c2nn[n-]n2)n1C ZINC000822028600 945947435 /nfs/dbraw/zinc/94/74/35/945947435.db2.gz QSQKOJGGBSXMAQ-QDEBKDIKSA-N -1 3 377.355 0.913 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CCS(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822028573 945947507 /nfs/dbraw/zinc/94/75/07/945947507.db2.gz QCZRNKUQLZGSDC-SRMXYGTFSA-N -1 3 391.457 0.360 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CCS(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822028573 945947517 /nfs/dbraw/zinc/94/75/17/945947517.db2.gz QCZRNKUQLZGSDC-SRMXYGTFSA-N -1 3 391.457 0.360 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCSCCCO)cc(-c2nnn[n-]2)n1C ZINC000822029423 945956018 /nfs/dbraw/zinc/95/60/18/945956018.db2.gz YMHBMPQCTFNGAR-JYRVWZFOSA-N -1 3 375.458 0.652 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCSCCCO)cc(-c2nn[n-]n2)n1C ZINC000822029423 945956025 /nfs/dbraw/zinc/95/60/25/945956025.db2.gz YMHBMPQCTFNGAR-JYRVWZFOSA-N -1 3 375.458 0.652 20 50 GCGDHM Cc1c(N)cccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822034734 945957894 /nfs/dbraw/zinc/95/78/94/945957894.db2.gz KGPKESYAASANKP-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1c(N)cccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822034734 945957902 /nfs/dbraw/zinc/95/79/02/945957902.db2.gz KGPKESYAASANKP-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)n1C ZINC000822183619 945971539 /nfs/dbraw/zinc/97/15/39/945971539.db2.gz IXQGOOPUNAAKFG-UHFFFAOYSA-N -1 3 397.395 0.440 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)n1C ZINC000822183619 945971547 /nfs/dbraw/zinc/97/15/47/945971547.db2.gz IXQGOOPUNAAKFG-UHFFFAOYSA-N -1 3 397.395 0.440 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)n1C ZINC000822183896 945974024 /nfs/dbraw/zinc/97/40/24/945974024.db2.gz LCBCQLHCFCPMBC-UHFFFAOYSA-N -1 3 397.395 0.440 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)n1C ZINC000822183896 945974037 /nfs/dbraw/zinc/97/40/37/945974037.db2.gz LCBCQLHCFCPMBC-UHFFFAOYSA-N -1 3 397.395 0.440 20 50 GCGDHM Cc1cc(F)cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822203160 945988051 /nfs/dbraw/zinc/98/80/51/945988051.db2.gz HHXXWTIKFROYTC-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cc(F)cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822203160 945988059 /nfs/dbraw/zinc/98/80/59/945988059.db2.gz HHXXWTIKFROYTC-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cccc([C@@H](O)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822289078 946046339 /nfs/dbraw/zinc/04/63/39/946046339.db2.gz QXPFVJRUBGYWCQ-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1cccc([C@@H](O)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822289078 946046345 /nfs/dbraw/zinc/04/63/45/946046345.db2.gz QXPFVJRUBGYWCQ-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1cccc(N)c1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822308455 946050479 /nfs/dbraw/zinc/05/04/79/946050479.db2.gz FICBGKBMHSFXGJ-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1cccc(N)c1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822308455 946050494 /nfs/dbraw/zinc/05/04/94/946050494.db2.gz FICBGKBMHSFXGJ-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1cncc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822399948 946078804 /nfs/dbraw/zinc/07/88/04/946078804.db2.gz QHQOIRCOVPWXEY-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1cncc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822399948 946078809 /nfs/dbraw/zinc/07/88/09/946078809.db2.gz QHQOIRCOVPWXEY-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1ncc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822467834 946097035 /nfs/dbraw/zinc/09/70/35/946097035.db2.gz SNRRQBMQCBFPSV-UHFFFAOYSA-N -1 3 387.381 0.250 20 50 GCGDHM Cc1ncc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822467834 946097048 /nfs/dbraw/zinc/09/70/48/946097048.db2.gz SNRRQBMQCBFPSV-UHFFFAOYSA-N -1 3 387.381 0.250 20 50 GCGDHM Cc1ncsc1CN(C)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822482353 946102851 /nfs/dbraw/zinc/10/28/51/946102851.db2.gz QTNXRLBXPLGDMP-UHFFFAOYSA-N -1 3 386.441 0.525 20 50 GCGDHM Cc1ncsc1CN(C)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822482353 946102860 /nfs/dbraw/zinc/10/28/60/946102860.db2.gz QTNXRLBXPLGDMP-UHFFFAOYSA-N -1 3 386.441 0.525 20 50 GCGDHM Cc1noc(C)c1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822519581 946111740 /nfs/dbraw/zinc/11/17/40/946111740.db2.gz IRPWFTCJCSSJAF-UHFFFAOYSA-N -1 3 385.340 0.090 20 50 GCGDHM Cc1noc(C)c1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822519581 946111748 /nfs/dbraw/zinc/11/17/48/946111748.db2.gz IRPWFTCJCSSJAF-UHFFFAOYSA-N -1 3 385.340 0.090 20 50 GCGDHM Cn1c(=O)[nH]cc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1=O ZINC000822591468 946134221 /nfs/dbraw/zinc/13/42/21/946134221.db2.gz SPLPBWCXEMPELT-UHFFFAOYSA-N -1 3 396.289 0.442 20 50 GCGDHM Cn1c(=O)[nH]cc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1=O ZINC000822591468 946134229 /nfs/dbraw/zinc/13/42/29/946134229.db2.gz SPLPBWCXEMPELT-UHFFFAOYSA-N -1 3 396.289 0.442 20 50 GCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1cccc(OC(F)F)c1 ZINC000822645706 946145436 /nfs/dbraw/zinc/14/54/36/946145436.db2.gz LIOXQMAMSCIAFR-UHFFFAOYSA-N -1 3 377.311 0.881 20 50 GCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1cccc(OC(F)F)c1 ZINC000822645706 946145444 /nfs/dbraw/zinc/14/54/44/946145444.db2.gz LIOXQMAMSCIAFR-UHFFFAOYSA-N -1 3 377.311 0.881 20 50 GCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000822645982 946147717 /nfs/dbraw/zinc/14/77/17/946147717.db2.gz ZPJOQOIHCRWDOO-UHFFFAOYSA-N -1 3 397.367 0.958 20 50 GCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000822645982 946147723 /nfs/dbraw/zinc/14/77/23/946147723.db2.gz ZPJOQOIHCRWDOO-UHFFFAOYSA-N -1 3 397.367 0.958 20 50 GCGDHM Cn1cc(Br)cc1C(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822665633 946150121 /nfs/dbraw/zinc/15/01/21/946150121.db2.gz VDJYSMDHPQVCLQ-UHFFFAOYSA-N -1 3 379.178 0.371 20 50 GCGDHM Cn1cc(Br)cc1C(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822665633 946150133 /nfs/dbraw/zinc/15/01/33/946150133.db2.gz VDJYSMDHPQVCLQ-UHFFFAOYSA-N -1 3 379.178 0.371 20 50 GCGDHM Cn1cc([C@@H]2CN(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822673866 946152019 /nfs/dbraw/zinc/15/20/19/946152019.db2.gz DZDPOMPHQDMSLC-AWEZNQCLSA-N -1 3 397.399 0.028 20 50 GCGDHM Cn1cc([C@@H]2CN(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822673866 946152027 /nfs/dbraw/zinc/15/20/27/946152027.db2.gz DZDPOMPHQDMSLC-AWEZNQCLSA-N -1 3 397.399 0.028 20 50 GCGDHM N#CC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000822801405 946189957 /nfs/dbraw/zinc/18/99/57/946189957.db2.gz IVQGWJCFGTVGOX-UHFFFAOYSA-N -1 3 397.395 0.645 20 50 GCGDHM N#CC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000822801405 946189961 /nfs/dbraw/zinc/18/99/61/946189961.db2.gz IVQGWJCFGTVGOX-UHFFFAOYSA-N -1 3 397.395 0.645 20 50 GCGDHM Nc1ccc(F)cc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822907421 946215297 /nfs/dbraw/zinc/21/52/97/946215297.db2.gz LWIOAPPYJBUXCF-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM Nc1ccc(F)cc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822907421 946215309 /nfs/dbraw/zinc/21/53/09/946215309.db2.gz LWIOAPPYJBUXCF-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNC(=O)C(=O)Nc1ccccn1 ZINC000822928310 946221457 /nfs/dbraw/zinc/22/14/57/946221457.db2.gz GTMDZKUDYQIGON-CMDGGOBGSA-N -1 3 378.352 0.061 20 50 GCGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNC(=O)C(=O)Nc1ccccn1 ZINC000822928310 946221467 /nfs/dbraw/zinc/22/14/67/946221467.db2.gz GTMDZKUDYQIGON-CMDGGOBGSA-N -1 3 378.352 0.061 20 50 GCGDHM O=C(CN1CCC(c2cn[nH]c2)CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822993739 946251864 /nfs/dbraw/zinc/25/18/64/946251864.db2.gz XNGJMRMPOBGAIH-UHFFFAOYSA-N -1 3 395.427 0.230 20 50 GCGDHM O=C(CN1CCC(c2cn[nH]c2)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822993739 946251870 /nfs/dbraw/zinc/25/18/70/946251870.db2.gz XNGJMRMPOBGAIH-UHFFFAOYSA-N -1 3 395.427 0.230 20 50 GCGDHM O=C(CN1CCC(OCC2CC2)CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822993479 946252354 /nfs/dbraw/zinc/25/23/54/946252354.db2.gz UKALREZUYFAZPT-UHFFFAOYSA-N -1 3 399.455 0.519 20 50 GCGDHM O=C(CN1CCC(OCC2CC2)CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822993479 946252361 /nfs/dbraw/zinc/25/23/61/946252361.db2.gz UKALREZUYFAZPT-UHFFFAOYSA-N -1 3 399.455 0.519 20 50 GCGDHM O=C(CN1CCCNC1=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822996428 946253542 /nfs/dbraw/zinc/25/35/42/946253542.db2.gz DKFJVDXAZCRNSG-UHFFFAOYSA-N -1 3 384.322 0.744 20 50 GCGDHM O=C(CN1CCCNC1=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822996428 946253551 /nfs/dbraw/zinc/25/35/51/946253551.db2.gz DKFJVDXAZCRNSG-UHFFFAOYSA-N -1 3 384.322 0.744 20 50 GCGDHM O=C(CN1CC[C@@]2(O)CCCC[C@H]2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822996787 946255829 /nfs/dbraw/zinc/25/58/29/946255829.db2.gz JCBFVXCIUGLASM-KXBFYZLASA-N -1 3 399.455 0.255 20 50 GCGDHM O=C(CN1CCO[C@@H](c2ccco2)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823001312 946259569 /nfs/dbraw/zinc/25/95/69/946259569.db2.gz KVVAZNFCXDHYMQ-OAHLLOKOSA-N -1 3 397.395 0.294 20 50 GCGDHM O=C(CN1CCO[C@@H](c2ccco2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823001312 946259581 /nfs/dbraw/zinc/25/95/81/946259581.db2.gz KVVAZNFCXDHYMQ-OAHLLOKOSA-N -1 3 397.395 0.294 20 50 GCGDHM O=C(COC(=O)CCn1cccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823017669 946268361 /nfs/dbraw/zinc/26/83/61/946268361.db2.gz BVOACBDUDIKSMP-UHFFFAOYSA-N -1 3 383.368 0.063 20 50 GCGDHM O=C(COC(=O)CCn1cccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823017669 946268365 /nfs/dbraw/zinc/26/83/65/946268365.db2.gz BVOACBDUDIKSMP-UHFFFAOYSA-N -1 3 383.368 0.063 20 50 GCGDHM O=C(C=Cc1ccsc1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823017537 946268760 /nfs/dbraw/zinc/26/87/60/946268760.db2.gz BBYRYZNOCQYENS-BHQIHCQQSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(C=Cc1ccsc1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823017537 946268772 /nfs/dbraw/zinc/26/87/72/946268772.db2.gz BBYRYZNOCQYENS-BHQIHCQQSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(COC(=O)C1CC(F)(F)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018155 946270498 /nfs/dbraw/zinc/27/04/98/946270498.db2.gz IIBGPQTZBZZHGI-UHFFFAOYSA-N -1 3 380.311 0.216 20 50 GCGDHM O=C(COC(=O)C1CC(F)(F)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018155 946270506 /nfs/dbraw/zinc/27/05/06/946270506.db2.gz IIBGPQTZBZZHGI-UHFFFAOYSA-N -1 3 380.311 0.216 20 50 GCGDHM O=C(COC(=O)C1CCSCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018031 946271542 /nfs/dbraw/zinc/27/15/42/946271542.db2.gz GNWHWABNFMWXNE-UHFFFAOYSA-N -1 3 390.425 0.314 20 50 GCGDHM O=C(COC(=O)C1CCSCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018031 946271554 /nfs/dbraw/zinc/27/15/54/946271554.db2.gz GNWHWABNFMWXNE-UHFFFAOYSA-N -1 3 390.425 0.314 20 50 GCGDHM O=C(COC(=O)[C@@H]1CC1(Cl)Cl)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018850 946276578 /nfs/dbraw/zinc/27/65/78/946276578.db2.gz YYOBYDKKTRPMIQ-VIFPVBQESA-N -1 3 399.194 0.365 20 50 GCGDHM O=C(COC(=O)[C@@H]1CC1(Cl)Cl)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018850 946276585 /nfs/dbraw/zinc/27/65/85/946276585.db2.gz YYOBYDKKTRPMIQ-VIFPVBQESA-N -1 3 399.194 0.365 20 50 GCGDHM O=C(COC(=O)c1ccccc1F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823026682 946278388 /nfs/dbraw/zinc/27/83/88/946278388.db2.gz AGYHMFZLEUMVEH-UHFFFAOYSA-N -1 3 384.327 0.624 20 50 GCGDHM O=C(COC(=O)c1ccccc1F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823026682 946278398 /nfs/dbraw/zinc/27/83/98/946278398.db2.gz AGYHMFZLEUMVEH-UHFFFAOYSA-N -1 3 384.327 0.624 20 50 GCGDHM O=C(COC(=O)c1cncc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027573 946283375 /nfs/dbraw/zinc/28/33/75/946283375.db2.gz XIYZXYILQRJIJM-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COC(=O)c1cncc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027573 946283382 /nfs/dbraw/zinc/28/33/82/946283382.db2.gz XIYZXYILQRJIJM-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@H]1CCCSC1 ZINC000823036948 946287107 /nfs/dbraw/zinc/28/71/07/946287107.db2.gz NKEPCDDAUDADIQ-NSHDSACASA-N -1 3 377.430 0.472 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccc(F)c(F)c1 ZINC000823037457 946289580 /nfs/dbraw/zinc/28/95/80/946289580.db2.gz YBTSGIBNCSNRMW-UHFFFAOYSA-N -1 3 388.334 0.914 20 50 GCGDHM O=C(C=C1CC(=O)NC(=S)N1)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823074308 946303965 /nfs/dbraw/zinc/30/39/65/946303965.db2.gz PIMLYWFFAKYYJA-UHFFFAOYSA-N -1 3 395.408 0.825 20 50 GCGDHM O=C(C=C1CC(=O)NC(=S)N1)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823074308 946303972 /nfs/dbraw/zinc/30/39/72/946303972.db2.gz PIMLYWFFAKYYJA-UHFFFAOYSA-N -1 3 395.408 0.825 20 50 GCGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)c1cc(Br)c[nH]1 ZINC000823104501 946311240 /nfs/dbraw/zinc/31/12/40/946311240.db2.gz YCGNJGDPGNXMGL-UHFFFAOYSA-N -1 3 390.201 0.961 20 50 GCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)c1cc(Br)c[nH]1 ZINC000823104501 946311248 /nfs/dbraw/zinc/31/12/48/946311248.db2.gz YCGNJGDPGNXMGL-UHFFFAOYSA-N -1 3 390.201 0.961 20 50 GCGDHM O=C(NCC[C@H](O)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823183136 946337119 /nfs/dbraw/zinc/33/71/19/946337119.db2.gz RNWIELVJMMSACB-HNNXBMFYSA-N -1 3 381.396 0.934 20 50 GCGDHM O=C(NCC[C@H](O)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823183136 946337132 /nfs/dbraw/zinc/33/71/32/946337132.db2.gz RNWIELVJMMSACB-HNNXBMFYSA-N -1 3 381.396 0.934 20 50 GCGDHM O=C(NC[C@@H]1CSCCS1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823182656 946337954 /nfs/dbraw/zinc/33/79/54/946337954.db2.gz NXBODDBCSNNOBH-LLVKDONJSA-N -1 3 379.471 0.659 20 50 GCGDHM O=C(NC[C@@H]1CSCCS1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823182656 946337965 /nfs/dbraw/zinc/33/79/65/946337965.db2.gz NXBODDBCSNNOBH-LLVKDONJSA-N -1 3 379.471 0.659 20 50 GCGDHM O=C(NC[C@@H]1CSCCS1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823181690 946338141 /nfs/dbraw/zinc/33/81/41/946338141.db2.gz DNUFWYCNQAYBSC-LLVKDONJSA-N -1 3 379.471 0.659 20 50 GCGDHM O=C(NC[C@@H]1CSCCS1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823181690 946338151 /nfs/dbraw/zinc/33/81/51/946338151.db2.gz DNUFWYCNQAYBSC-LLVKDONJSA-N -1 3 379.471 0.659 20 50 GCGDHM O=C(NCCCNC(=O)C1CCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823191093 946339493 /nfs/dbraw/zinc/33/94/93/946339493.db2.gz INCKRDPWXIXNIE-UHFFFAOYSA-N -1 3 386.416 0.117 20 50 GCGDHM O=C(NCCCNC(=O)C1CCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823191093 946339503 /nfs/dbraw/zinc/33/95/03/946339503.db2.gz INCKRDPWXIXNIE-UHFFFAOYSA-N -1 3 386.416 0.117 20 50 GCGDHM O=C(NCCCO[C@H]1CCOC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823191349 946339689 /nfs/dbraw/zinc/33/96/89/946339689.db2.gz JZSQATWVNDFLLJ-ZDUSSCGKSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCCCO[C@H]1CCOC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823191349 946339701 /nfs/dbraw/zinc/33/97/01/946339701.db2.gz JZSQATWVNDFLLJ-ZDUSSCGKSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCCCNC(=O)C1CCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823191789 946339806 /nfs/dbraw/zinc/33/98/06/946339806.db2.gz PGPKDNAVNNJGLA-UHFFFAOYSA-N -1 3 386.416 0.117 20 50 GCGDHM O=C(NCCCNC(=O)C1CCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823191789 946339810 /nfs/dbraw/zinc/33/98/10/946339810.db2.gz PGPKDNAVNNJGLA-UHFFFAOYSA-N -1 3 386.416 0.117 20 50 GCGDHM O=C(NCCCO[C@@H]1CCOC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823191456 946341014 /nfs/dbraw/zinc/34/10/14/946341014.db2.gz NEKBAYMUAQOKPN-CYBMUJFWSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCCCO[C@@H]1CCOC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823191456 946341027 /nfs/dbraw/zinc/34/10/27/946341027.db2.gz NEKBAYMUAQOKPN-CYBMUJFWSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCCCOC1CCOCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823191913 946341197 /nfs/dbraw/zinc/34/11/97/946341197.db2.gz RRWGEYRCBPNQDU-UHFFFAOYSA-N -1 3 389.416 0.396 20 50 GCGDHM O=C(NCCCOC1CCOCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823191913 946341209 /nfs/dbraw/zinc/34/12/09/946341209.db2.gz RRWGEYRCBPNQDU-UHFFFAOYSA-N -1 3 389.416 0.396 20 50 GCGDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NNc1ccc(-n2cccn2)nn1 ZINC000823238448 946352845 /nfs/dbraw/zinc/35/28/45/946352845.db2.gz NFYGMIIHZQSSCY-UHFFFAOYSA-N -1 3 395.362 0.808 20 50 GCGDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NNc1ccc(-n2cccn2)nn1 ZINC000823238448 946352853 /nfs/dbraw/zinc/35/28/53/946352853.db2.gz NFYGMIIHZQSSCY-UHFFFAOYSA-N -1 3 395.362 0.808 20 50 GCGDHM CS(=O)(=O)c1cccc(NNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826224226 947662258 /nfs/dbraw/zinc/66/22/58/947662258.db2.gz VFBBQJWOFDYHRF-UHFFFAOYSA-N -1 3 387.425 0.825 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccnc(N(C)C)n2)cc(-c2nnn[n-]2)n1C ZINC000826235410 947689489 /nfs/dbraw/zinc/68/94/89/947689489.db2.gz JMEIMWQGDDJZDC-NTUHNPAUSA-N -1 3 392.427 0.593 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccnc(N(C)C)n2)cc(-c2nn[n-]n2)n1C ZINC000826235410 947689497 /nfs/dbraw/zinc/68/94/97/947689497.db2.gz JMEIMWQGDDJZDC-NTUHNPAUSA-N -1 3 392.427 0.593 20 50 GCGDHM NS(=O)(=O)c1cc(F)cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826394489 948203926 /nfs/dbraw/zinc/20/39/26/948203926.db2.gz LVTVOHOYTRRHGJ-UHFFFAOYSA-N -1 3 392.376 0.802 20 50 GCGDHM NS(=O)(=O)c1cc(F)cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826394489 948203931 /nfs/dbraw/zinc/20/39/31/948203931.db2.gz LVTVOHOYTRRHGJ-UHFFFAOYSA-N -1 3 392.376 0.802 20 50 GCGDHM O=C(CN1CCC(CCCO)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410574 948246583 /nfs/dbraw/zinc/24/65/83/948246583.db2.gz QXHTUYVRQZJMNQ-UHFFFAOYSA-N -1 3 387.444 0.112 20 50 GCGDHM O=C(NNC(=O)N1CCC([C@H]2CCOC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444437 948307378 /nfs/dbraw/zinc/30/73/78/948307378.db2.gz GMXPBHYUNCXEKY-HNNXBMFYSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC([C@H]2CCOC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444437 948307388 /nfs/dbraw/zinc/30/73/88/948307388.db2.gz GMXPBHYUNCXEKY-HNNXBMFYSA-N -1 3 385.428 0.970 20 50 GCGDHM CC(C)(C)C(=O)NCCCC(=O)NNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573803517 949444171 /nfs/dbraw/zinc/44/41/71/949444171.db2.gz QWEOGUNCSYMNHN-UHFFFAOYSA-N -1 3 389.420 0.357 20 50 GCGDHM CC(C)(C)C(=O)NCCCC(=O)NNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573803517 949444189 /nfs/dbraw/zinc/44/41/89/949444189.db2.gz QWEOGUNCSYMNHN-UHFFFAOYSA-N -1 3 389.420 0.357 20 50 GCGDHM CC(C)(C)OC(=O)NOCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001573861050 950437585 /nfs/dbraw/zinc/43/75/85/950437585.db2.gz QMFGICXGCMXJGT-UHFFFAOYSA-N -1 3 377.361 0.084 20 50 GCGDHM CC(C)(C)OC(=O)NOCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001573861050 950437602 /nfs/dbraw/zinc/43/76/02/950437602.db2.gz QMFGICXGCMXJGT-UHFFFAOYSA-N -1 3 377.361 0.084 20 50 GCGDHM CCS(=O)(=O)N1CCC[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825663088 607335754 /nfs/dbraw/zinc/33/57/54/607335754.db2.gz IHBDUYWFUVAABH-LBPRGKRZSA-N -1 3 379.446 0.372 20 50 GCGDHM CCS(=O)(=O)N1CCC[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825663088 607335756 /nfs/dbraw/zinc/33/57/56/607335756.db2.gz IHBDUYWFUVAABH-LBPRGKRZSA-N -1 3 379.446 0.372 20 50 GCGDHM Cn1cc([C@H]2[C@@H](C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCC(=O)N2C)cn1 ZINC000826010119 607350239 /nfs/dbraw/zinc/35/02/39/607350239.db2.gz DKSVCLZESAVOHJ-HOCLYGCPSA-N -1 3 395.427 0.653 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000826446174 607350623 /nfs/dbraw/zinc/35/06/23/607350623.db2.gz CFXVIQQOFAMYGZ-OAHLLOKOSA-N -1 3 376.384 0.780 20 50 GCGDHM Cn1nc(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c2ccccc2c1=O ZINC000826366039 607352914 /nfs/dbraw/zinc/35/29/14/607352914.db2.gz PWTHBURNTZCWPU-UHFFFAOYSA-N -1 3 376.380 0.799 20 50 GCGDHM O=C(Cn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cn1)NC1CCCC1 ZINC000826424272 607353142 /nfs/dbraw/zinc/35/31/42/607353142.db2.gz DHIUTJPQSPNJJO-UHFFFAOYSA-N -1 3 395.427 0.879 20 50 GCGDHM CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824109941 607355757 /nfs/dbraw/zinc/35/57/57/607355757.db2.gz ZWYRSZXUNOIRRO-ZDUSSCGKSA-N -1 3 389.416 0.946 20 50 GCGDHM CCS(=O)(=O)N1CCC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825663605 607356237 /nfs/dbraw/zinc/35/62/37/607356237.db2.gz SGAXRFBBWKVAMM-LBPRGKRZSA-N -1 3 379.446 0.372 20 50 GCGDHM O=Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823557970 599651854 /nfs/dbraw/zinc/65/18/54/599651854.db2.gz XEJUXFDKYRDXRM-UHFFFAOYSA-N -1 3 394.347 0.297 20 50 GCGDHM O=Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823557970 599651855 /nfs/dbraw/zinc/65/18/55/599651855.db2.gz XEJUXFDKYRDXRM-UHFFFAOYSA-N -1 3 394.347 0.297 20 50 GCGDHM O=C(Cn1cnc([N+](=O)[O-])n1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826425420 607395476 /nfs/dbraw/zinc/39/54/76/607395476.db2.gz CPGSUDZDEDRAOF-UHFFFAOYSA-N -1 3 398.265 0.529 20 50 GCGDHM O=C(Cn1cnc([N+](=O)[O-])n1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826425420 607395478 /nfs/dbraw/zinc/39/54/78/607395478.db2.gz CPGSUDZDEDRAOF-UHFFFAOYSA-N -1 3 398.265 0.529 20 50 GCGDHM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824109370 607462444 /nfs/dbraw/zinc/46/24/44/607462444.db2.gz OEISCEXCBAPQDW-LLVKDONJSA-N -1 3 390.404 0.079 20 50 GCGDHM O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826424201 607465041 /nfs/dbraw/zinc/46/50/41/607465041.db2.gz AMIBYXGUZRQXOU-UHFFFAOYSA-N -1 3 378.352 0.426 20 50 GCGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNC(=O)[C@H]1COc2ccccc2O1 ZINC000826418177 607471655 /nfs/dbraw/zinc/47/16/55/607471655.db2.gz TXSDVRBQXQQUJS-OAHLLOKOSA-N -1 3 396.363 0.233 20 50 GCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNC(=O)[C@H]1COc2ccccc2O1 ZINC000826418177 607471657 /nfs/dbraw/zinc/47/16/57/607471657.db2.gz TXSDVRBQXQQUJS-OAHLLOKOSA-N -1 3 396.363 0.233 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1OCCc2ccccc21 ZINC000826417582 607541461 /nfs/dbraw/zinc/54/14/61/607541461.db2.gz WUUGPNULVIDIHY-KRWDZBQOSA-N -1 3 394.391 0.707 20 50 GCGDHM O=C(Cn1sc2ccccc2c1=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826425727 607552717 /nfs/dbraw/zinc/55/27/17/607552717.db2.gz QJUOHRQSAKDCPE-UHFFFAOYSA-N -1 3 395.404 0.704 20 50 GCGDHM O=C(Cn1sc2ccccc2c1=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826425727 607552718 /nfs/dbraw/zinc/55/27/18/607552718.db2.gz QJUOHRQSAKDCPE-UHFFFAOYSA-N -1 3 395.404 0.704 20 50 GCGDHM COC1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000826143873 607564236 /nfs/dbraw/zinc/56/42/36/607564236.db2.gz UATJLYFYCXTJLP-UHFFFAOYSA-N -1 3 375.389 0.006 20 50 GCGDHM COC1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000826143873 607564238 /nfs/dbraw/zinc/56/42/38/607564238.db2.gz UATJLYFYCXTJLP-UHFFFAOYSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1cnc2n1CCCC2 ZINC000826417351 607567848 /nfs/dbraw/zinc/56/78/48/607567848.db2.gz NWIOTSIRTDSAKN-UHFFFAOYSA-N -1 3 382.384 0.240 20 50 GCGDHM Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826329374 607714429 /nfs/dbraw/zinc/71/44/29/607714429.db2.gz ZXFHTDDININCFT-UHFFFAOYSA-N -1 3 393.415 0.579 20 50 GCGDHM Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826329374 607714431 /nfs/dbraw/zinc/71/44/31/607714431.db2.gz ZXFHTDDININCFT-UHFFFAOYSA-N -1 3 393.415 0.579 20 50 GCGDHM Cn1ccnc1[C@](O)(CC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826363985 607716189 /nfs/dbraw/zinc/71/61/89/607716189.db2.gz HMPMTLPNMNHWEH-CQSZACIVSA-N -1 3 396.333 0.884 20 50 GCGDHM Cn1ccnc1[C@](O)(CC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826363985 607716191 /nfs/dbraw/zinc/71/61/91/607716191.db2.gz HMPMTLPNMNHWEH-CQSZACIVSA-N -1 3 396.333 0.884 20 50 GCGDHM Cc1ccc2c(c1)C(=O)N(CC(=O)NNc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000826293998 607721054 /nfs/dbraw/zinc/72/10/54/607721054.db2.gz GNPUOACHBPRZIA-UHFFFAOYSA-N -1 3 377.364 0.914 20 50 GCGDHM Cc1ccc2c(c1)C(=O)N(CC(=O)NNc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000826293998 607721057 /nfs/dbraw/zinc/72/10/57/607721057.db2.gz GNPUOACHBPRZIA-UHFFFAOYSA-N -1 3 377.364 0.914 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000826448791 607723624 /nfs/dbraw/zinc/72/36/24/607723624.db2.gz LZIBEXQGTWSZIK-UHFFFAOYSA-N -1 3 392.379 0.675 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000826448791 607723626 /nfs/dbraw/zinc/72/36/26/607723626.db2.gz LZIBEXQGTWSZIK-UHFFFAOYSA-N -1 3 392.379 0.675 20 50 GCGDHM NC(=O)[C@@H]1CC(C(=O)NNc2cccc(-c3nnn[n-]3)c2)=NN1c1ccccc1 ZINC000826389832 607726702 /nfs/dbraw/zinc/72/67/02/607726702.db2.gz JLMZANCQXWOMEZ-HNNXBMFYSA-N -1 3 391.395 0.430 20 50 GCGDHM NC(=O)[C@@H]1CC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)=NN1c1ccccc1 ZINC000826389832 607726704 /nfs/dbraw/zinc/72/67/04/607726704.db2.gz JLMZANCQXWOMEZ-HNNXBMFYSA-N -1 3 391.395 0.430 20 50 GCGDHM C#CCNS(=O)(=O)c1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823850163 607730590 /nfs/dbraw/zinc/73/05/90/607730590.db2.gz KRQBAANURAAKLW-UHFFFAOYSA-N -1 3 397.420 0.535 20 50 GCGDHM C#CCNS(=O)(=O)c1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823850163 607730592 /nfs/dbraw/zinc/73/05/92/607730592.db2.gz KRQBAANURAAKLW-UHFFFAOYSA-N -1 3 397.420 0.535 20 50 GCGDHM CC(C)[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1CCCS1(=O)=O ZINC000824185369 607732313 /nfs/dbraw/zinc/73/23/13/607732313.db2.gz XLMPTKFTIJHQIS-ZDUSSCGKSA-N -1 3 379.446 0.370 20 50 GCGDHM CC(C)[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1CCCS1(=O)=O ZINC000824185369 607732316 /nfs/dbraw/zinc/73/23/16/607732316.db2.gz XLMPTKFTIJHQIS-ZDUSSCGKSA-N -1 3 379.446 0.370 20 50 GCGDHM CCC(CC)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000825090303 607757416 /nfs/dbraw/zinc/75/74/16/607757416.db2.gz WCNQWMQBCYWFIE-UHFFFAOYSA-N -1 3 389.416 0.790 20 50 GCGDHM CCC(CC)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000825090303 607757417 /nfs/dbraw/zinc/75/74/17/607757417.db2.gz WCNQWMQBCYWFIE-UHFFFAOYSA-N -1 3 389.416 0.790 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CCN(c2ccccn2)C1 ZINC000826445125 607793476 /nfs/dbraw/zinc/79/34/76/607793476.db2.gz HPJUBURNDXUUBH-AWEZNQCLSA-N -1 3 393.411 0.485 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CCN(c2ccccn2)C1 ZINC000826445125 607793477 /nfs/dbraw/zinc/79/34/77/607793477.db2.gz HPJUBURNDXUUBH-AWEZNQCLSA-N -1 3 393.411 0.485 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826444960 607823792 /nfs/dbraw/zinc/82/37/92/607823792.db2.gz ARYZOUXMKIPIJD-BFHYXJOUSA-N -1 3 383.412 0.768 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826444960 607823793 /nfs/dbraw/zinc/82/37/93/607823793.db2.gz ARYZOUXMKIPIJD-BFHYXJOUSA-N -1 3 383.412 0.768 20 50 GCGDHM CC1(C)C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824790120 607837469 /nfs/dbraw/zinc/83/74/69/607837469.db2.gz KRTKCMXKJWRUKW-LLVKDONJSA-N -1 3 389.416 0.534 20 50 GCGDHM CC1(C)C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824790120 607837470 /nfs/dbraw/zinc/83/74/70/607837470.db2.gz KRTKCMXKJWRUKW-LLVKDONJSA-N -1 3 389.416 0.534 20 50 GCGDHM CN(C)c1cccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825879955 607854517 /nfs/dbraw/zinc/85/45/17/607854517.db2.gz TXWIXJVWAJHCLZ-UHFFFAOYSA-N -1 3 381.400 0.472 20 50 GCGDHM CN(C)c1cccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825879955 607854518 /nfs/dbraw/zinc/85/45/18/607854518.db2.gz TXWIXJVWAJHCLZ-UHFFFAOYSA-N -1 3 381.400 0.472 20 50 GCGDHM Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826334034 607887785 /nfs/dbraw/zinc/88/77/85/607887785.db2.gz FLJLQGPFJIOFGL-UHFFFAOYSA-N -1 3 395.427 0.509 20 50 GCGDHM Cc1nn(C)c(N2CCOCC2)c1C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826334034 607887786 /nfs/dbraw/zinc/88/77/86/607887786.db2.gz FLJLQGPFJIOFGL-UHFFFAOYSA-N -1 3 395.427 0.509 20 50 GCGDHM Cn1ccnc1[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826363969 607912105 /nfs/dbraw/zinc/91/21/05/607912105.db2.gz HDTPRUZRRVCUAH-CYBMUJFWSA-N -1 3 381.400 0.444 20 50 GCGDHM Cn1ccnc1[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826363969 607912106 /nfs/dbraw/zinc/91/21/06/607912106.db2.gz HDTPRUZRRVCUAH-CYBMUJFWSA-N -1 3 381.400 0.444 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCNC(=O)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235437 607915423 /nfs/dbraw/zinc/91/54/23/607915423.db2.gz JYQBKOYSJBVPPG-RIYZIHGNSA-N -1 3 384.444 0.699 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCNC(=O)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235437 607915424 /nfs/dbraw/zinc/91/54/24/607915424.db2.gz JYQBKOYSJBVPPG-RIYZIHGNSA-N -1 3 384.444 0.699 20 50 GCGDHM Cc1cc([C@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000826265874 607920703 /nfs/dbraw/zinc/92/07/03/607920703.db2.gz RBTOTUDEUBUCCN-OAHLLOKOSA-N -1 3 396.411 0.761 20 50 GCGDHM Cc1cc([C@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000826265874 607920704 /nfs/dbraw/zinc/92/07/04/607920704.db2.gz RBTOTUDEUBUCCN-OAHLLOKOSA-N -1 3 396.411 0.761 20 50 GCGDHM Cc1ccc2c(c1)OCCN2CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826294164 607923926 /nfs/dbraw/zinc/92/39/26/607923926.db2.gz KRVHEYFRFAWVBP-UHFFFAOYSA-N -1 3 393.407 0.835 20 50 GCGDHM Cc1ccc2c(c1)OCCN2CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826294164 607923927 /nfs/dbraw/zinc/92/39/27/607923927.db2.gz KRVHEYFRFAWVBP-UHFFFAOYSA-N -1 3 393.407 0.835 20 50 GCGDHM O=C(CN(CCO)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409708 607924534 /nfs/dbraw/zinc/92/45/34/607924534.db2.gz LRYBPRWLRJFUAI-UHFFFAOYSA-N -1 3 381.396 0.127 20 50 GCGDHM O=C(CN(CCO)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409708 607924535 /nfs/dbraw/zinc/92/45/35/607924535.db2.gz LRYBPRWLRJFUAI-UHFFFAOYSA-N -1 3 381.396 0.127 20 50 GCGDHM CC[C@](C)(NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000825044419 607925383 /nfs/dbraw/zinc/92/53/83/607925383.db2.gz QCFRGVCSLWMCJN-AWEZNQCLSA-N -1 3 385.350 0.948 20 50 GCGDHM CC[C@](C)(NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000825044419 607925384 /nfs/dbraw/zinc/92/53/84/607925384.db2.gz QCFRGVCSLWMCJN-AWEZNQCLSA-N -1 3 385.350 0.948 20 50 GCGDHM CC[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC000825134619 607927886 /nfs/dbraw/zinc/92/78/86/607927886.db2.gz VQHHOLUHAGUTTJ-OCCSQVGLSA-N -1 3 389.416 0.534 20 50 GCGDHM CC[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000825134619 607927887 /nfs/dbraw/zinc/92/78/87/607927887.db2.gz VQHHOLUHAGUTTJ-OCCSQVGLSA-N -1 3 389.416 0.534 20 50 GCGDHM O=C(NNC(=O)c1ccnc(OCC(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445557 607982286 /nfs/dbraw/zinc/98/22/86/607982286.db2.gz YTLFETMFPGDPSK-UHFFFAOYSA-N -1 3 389.322 0.980 20 50 GCGDHM COCC(=O)N(C)CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826148065 607995389 /nfs/dbraw/zinc/99/53/89/607995389.db2.gz XMOSPCFBOQIQKH-UHFFFAOYSA-N -1 3 387.322 0.433 20 50 GCGDHM COCC(=O)N(C)CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826148065 607995390 /nfs/dbraw/zinc/99/53/90/607995390.db2.gz XMOSPCFBOQIQKH-UHFFFAOYSA-N -1 3 387.322 0.433 20 50 GCGDHM CCS(=O)(=O)NCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825662868 607995515 /nfs/dbraw/zinc/99/55/15/607995515.db2.gz CNZBZJFDLFIFAY-UHFFFAOYSA-N -1 3 393.351 0.268 20 50 GCGDHM CCS(=O)(=O)NCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825662868 607995516 /nfs/dbraw/zinc/99/55/16/607995516.db2.gz CNZBZJFDLFIFAY-UHFFFAOYSA-N -1 3 393.351 0.268 20 50 GCGDHM Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826328727 608027307 /nfs/dbraw/zinc/02/73/07/608027307.db2.gz APGDUQJNXJHZTE-UHFFFAOYSA-N -1 3 377.368 0.601 20 50 GCGDHM Cc1nc2ccnn2c(C)c1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826328727 608027308 /nfs/dbraw/zinc/02/73/08/608027308.db2.gz APGDUQJNXJHZTE-UHFFFAOYSA-N -1 3 377.368 0.601 20 50 GCGDHM O=C(CN1CCc2ccsc2C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411605 608046906 /nfs/dbraw/zinc/04/69/06/608046906.db2.gz FUFJURJBKOVIIJ-UHFFFAOYSA-N -1 3 383.437 0.748 20 50 GCGDHM O=C(CN1CCc2ccsc2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411605 608046907 /nfs/dbraw/zinc/04/69/07/608046907.db2.gz FUFJURJBKOVIIJ-UHFFFAOYSA-N -1 3 383.437 0.748 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)CSCC(F)(F)F ZINC000826417520 608048215 /nfs/dbraw/zinc/04/82/15/608048215.db2.gz UBFVXVOVMOCYSO-UHFFFAOYSA-N -1 3 390.347 0.688 20 50 GCGDHM COc1ccccc1SCC(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000826221235 608061422 /nfs/dbraw/zinc/06/14/22/608061422.db2.gz VOGWYWYWTUCYPM-UHFFFAOYSA-N -1 3 387.425 0.767 20 50 GCGDHM COc1ccccc1SCC(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000826221235 608061423 /nfs/dbraw/zinc/06/14/23/608061423.db2.gz VOGWYWYWTUCYPM-UHFFFAOYSA-N -1 3 387.425 0.767 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(CCO)Cc2cccnc2)cc(-c2nn[n-]n2)n1C ZINC000826236081 608107097 /nfs/dbraw/zinc/10/70/97/608107097.db2.gz XYFNPDYJNBTBEM-PXNMLYILSA-N -1 3 392.423 0.837 20 50 GCGDHM O=C(NNC(=O)c1cccc(C2OCCO2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445367 608120972 /nfs/dbraw/zinc/12/09/72/608120972.db2.gz RAGINWCLBUQLAZ-UHFFFAOYSA-N -1 3 380.364 0.987 20 50 GCGDHM O=C(NNC(=O)c1cccc(C2OCCO2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445367 608120973 /nfs/dbraw/zinc/12/09/73/608120973.db2.gz RAGINWCLBUQLAZ-UHFFFAOYSA-N -1 3 380.364 0.987 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)CN2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000826235678 608142835 /nfs/dbraw/zinc/14/28/35/608142835.db2.gz OTHKBPFLITWGNX-PWDRSIHYSA-N -1 3 385.428 0.685 20 50 GCGDHM Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826321762 608143537 /nfs/dbraw/zinc/14/35/37/608143537.db2.gz ONAAJDICFBIFQN-SECBINFHSA-N -1 3 384.400 0.537 20 50 GCGDHM Cn1cnn(-c2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2)c1=O ZINC000826365098 608211624 /nfs/dbraw/zinc/21/16/24/608211624.db2.gz BKJVBBXJWSOQIV-UHFFFAOYSA-N -1 3 392.383 0.900 20 50 GCGDHM Cn1cnn(-c2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)c1=O ZINC000826365098 608211625 /nfs/dbraw/zinc/21/16/25/608211625.db2.gz BKJVBBXJWSOQIV-UHFFFAOYSA-N -1 3 392.383 0.900 20 50 GCGDHM Cc1cn2c(ncc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)c2=O)s1 ZINC000826317069 608274808 /nfs/dbraw/zinc/27/48/08/608274808.db2.gz LNZYPQDGZRCVLO-UHFFFAOYSA-N -1 3 396.392 0.319 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(OCCO)CC2)cc(-c2nnn[n-]2)n1C ZINC000826235347 608276690 /nfs/dbraw/zinc/27/66/90/608276690.db2.gz HZEOBSKOTKWCQP-ZROIWOOFSA-N -1 3 385.428 0.421 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(OCCO)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235347 608276691 /nfs/dbraw/zinc/27/66/91/608276691.db2.gz HZEOBSKOTKWCQP-ZROIWOOFSA-N -1 3 385.428 0.421 20 50 GCGDHM COC[C@H](NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826150692 608477933 /nfs/dbraw/zinc/47/79/33/608477933.db2.gz JUAZIUGJUMOEKZ-INIZCTEOSA-N -1 3 395.423 0.605 20 50 GCGDHM C[C@@H]1CC(NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824893348 608492717 /nfs/dbraw/zinc/49/27/17/608492717.db2.gz QBWCNJIYYGOJRR-GHMZBOCLSA-N -1 3 389.416 0.532 20 50 GCGDHM C[C@@H]1CC(NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824893348 608492718 /nfs/dbraw/zinc/49/27/18/608492718.db2.gz QBWCNJIYYGOJRR-GHMZBOCLSA-N -1 3 389.416 0.532 20 50 GCGDHM CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826146398 608538090 /nfs/dbraw/zinc/53/80/90/608538090.db2.gz VINLEFROAYBBRV-OCCSQVGLSA-N -1 3 389.416 0.391 20 50 GCGDHM O=C(NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cnc2sccn2c1=O ZINC000826445746 608575032 /nfs/dbraw/zinc/57/50/32/608575032.db2.gz IFDJZLOHEOSMHD-UHFFFAOYSA-N -1 3 389.788 0.741 20 50 GCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826285070 609183546 /nfs/dbraw/zinc/18/35/46/609183546.db2.gz OVIMNUYRPTXFEV-KRWDZBQOSA-N -1 3 396.407 0.743 20 50 GCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826285070 609183548 /nfs/dbraw/zinc/18/35/48/609183548.db2.gz OVIMNUYRPTXFEV-KRWDZBQOSA-N -1 3 396.407 0.743 20 50 GCGDHM Cc1ccc(OCC(=O)NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826292139 609183801 /nfs/dbraw/zinc/18/38/01/609183801.db2.gz JYFOROQLCDYGOW-INIZCTEOSA-N -1 3 382.380 0.435 20 50 GCGDHM Cc1ccc(OCC(=O)NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826292139 609183802 /nfs/dbraw/zinc/18/38/02/609183802.db2.gz JYFOROQLCDYGOW-INIZCTEOSA-N -1 3 382.380 0.435 20 50 GCGDHM O=C(NNc1cccnn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826449128 609203965 /nfs/dbraw/zinc/20/39/65/609203965.db2.gz CQMWZONOURVXBC-CYBMUJFWSA-N -1 3 394.399 0.478 20 50 GCGDHM O=C(COCc1ccccc1)NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416760 609236239 /nfs/dbraw/zinc/23/62/39/609236239.db2.gz OBKZLWCAQZJMAV-INIZCTEOSA-N -1 3 382.380 0.264 20 50 GCGDHM O=C(COCc1ccccc1)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416760 609236240 /nfs/dbraw/zinc/23/62/40/609236240.db2.gz OBKZLWCAQZJMAV-INIZCTEOSA-N -1 3 382.380 0.264 20 50 GCGDHM CC(Cl)(Cl)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824464732 609246615 /nfs/dbraw/zinc/24/66/15/609246615.db2.gz JACZTONMGXLKGK-UHFFFAOYSA-N -1 3 387.183 0.365 20 50 GCGDHM CC(Cl)(Cl)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824464732 609246617 /nfs/dbraw/zinc/24/66/17/609246617.db2.gz JACZTONMGXLKGK-UHFFFAOYSA-N -1 3 387.183 0.365 20 50 GCGDHM O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826447813 609255512 /nfs/dbraw/zinc/25/55/12/609255512.db2.gz XEJIQVYMZIWLES-NSHDSACASA-N -1 3 380.290 0.852 20 50 GCGDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NNc1ccccn1 ZINC000824641599 609262287 /nfs/dbraw/zinc/26/22/87/609262287.db2.gz XIJTXPSCPYWWPR-JTQLQIEISA-N -1 3 388.413 0.072 20 50 GCGDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NNc1ccccn1 ZINC000824641599 609262289 /nfs/dbraw/zinc/26/22/89/609262289.db2.gz XIJTXPSCPYWWPR-JTQLQIEISA-N -1 3 388.413 0.072 20 50 GCGDHM CCOCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000825599672 609265627 /nfs/dbraw/zinc/26/56/27/609265627.db2.gz PEYJHXAXRYOVBA-AUWJEWJLSA-N -1 3 385.428 0.685 20 50 GCGDHM CCOCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000825599672 609265628 /nfs/dbraw/zinc/26/56/28/609265628.db2.gz PEYJHXAXRYOVBA-AUWJEWJLSA-N -1 3 385.428 0.685 20 50 GCGDHM O=C(NC[C@@H]1COC2(CCOCC2)O1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826435852 609285691 /nfs/dbraw/zinc/28/56/91/609285691.db2.gz ZHTIUYBRULXOSZ-CYBMUJFWSA-N -1 3 375.389 0.415 20 50 GCGDHM O=C(NC[C@@H]1COC2(CCOCC2)O1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826435852 609285693 /nfs/dbraw/zinc/28/56/93/609285693.db2.gz ZHTIUYBRULXOSZ-CYBMUJFWSA-N -1 3 375.389 0.415 20 50 GCGDHM Cc1nscc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826340417 609294527 /nfs/dbraw/zinc/29/45/27/609294527.db2.gz XRHHNHSGRZEACT-UHFFFAOYSA-N -1 3 387.381 0.250 20 50 GCGDHM Cc1nscc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826340417 609294529 /nfs/dbraw/zinc/29/45/29/609294529.db2.gz XRHHNHSGRZEACT-UHFFFAOYSA-N -1 3 387.381 0.250 20 50 GCGDHM COc1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826190533 609307336 /nfs/dbraw/zinc/30/73/36/609307336.db2.gz FCCOSIAOQJPYHX-UHFFFAOYSA-N -1 3 375.389 0.850 20 50 GCGDHM COc1ccc(C=NNC(=O)CNC(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826190533 609307338 /nfs/dbraw/zinc/30/73/38/609307338.db2.gz FCCOSIAOQJPYHX-UHFFFAOYSA-N -1 3 375.389 0.850 20 50 GCGDHM COCCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826155013 609354071 /nfs/dbraw/zinc/35/40/71/609354071.db2.gz CKPIKMNNVPTFIO-LLVKDONJSA-N -1 3 390.400 0.234 20 50 GCGDHM COCCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826155013 609354072 /nfs/dbraw/zinc/35/40/72/609354072.db2.gz CKPIKMNNVPTFIO-LLVKDONJSA-N -1 3 390.400 0.234 20 50 GCGDHM O=C(CN1CCC[C@H]1c1ncc[nH]1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410264 609369677 /nfs/dbraw/zinc/36/96/77/609369677.db2.gz IEYBKRCAMLWXDL-ZDUSSCGKSA-N -1 3 381.400 0.188 20 50 GCGDHM O=C(CN1CCC[C@H]1c1ncc[nH]1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410264 609369680 /nfs/dbraw/zinc/36/96/80/609369680.db2.gz IEYBKRCAMLWXDL-ZDUSSCGKSA-N -1 3 381.400 0.188 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824109093 609397945 /nfs/dbraw/zinc/39/79/45/609397945.db2.gz MZHJKCLKPSGFRG-UHFFFAOYSA-N -1 3 389.416 0.471 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824109093 609397947 /nfs/dbraw/zinc/39/79/47/609397947.db2.gz MZHJKCLKPSGFRG-UHFFFAOYSA-N -1 3 389.416 0.471 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)Cc1ccc(F)cc1 ZINC000826444990 609445413 /nfs/dbraw/zinc/44/54/13/609445413.db2.gz BSWFFPIVUPUSMY-HNNXBMFYSA-N -1 3 399.386 0.553 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)Cc1ccc(F)cc1 ZINC000826444990 609445415 /nfs/dbraw/zinc/44/54/15/609445415.db2.gz BSWFFPIVUPUSMY-HNNXBMFYSA-N -1 3 399.386 0.553 20 50 GCGDHM COc1ccccc1[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826218899 609446896 /nfs/dbraw/zinc/44/68/96/609446896.db2.gz NTLMBOZROLWPTL-CQSZACIVSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1ccccc1[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826218899 609446897 /nfs/dbraw/zinc/44/68/97/609446897.db2.gz NTLMBOZROLWPTL-CQSZACIVSA-N -1 3 397.395 0.553 20 50 GCGDHM Cc1ncc(C=CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737489384 945081801 /nfs/dbraw/zinc/08/18/01/945081801.db2.gz JMSURRDRXFMYPW-VOTSOKGWSA-N -1 3 385.409 0.871 20 50 GCGDHM Cc1ncsc1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737503614 945085141 /nfs/dbraw/zinc/08/51/41/945085141.db2.gz QHFUXKPCWLJSHF-UHFFFAOYSA-N -1 3 388.413 0.541 20 50 GCGDHM Cc1ncsc1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737503614 945085150 /nfs/dbraw/zinc/08/51/50/945085150.db2.gz QHFUXKPCWLJSHF-UHFFFAOYSA-N -1 3 388.413 0.541 20 50 GCGDHM Cc1nn(C)c(C)c1CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737511406 945087063 /nfs/dbraw/zinc/08/70/63/945087063.db2.gz RSXFQFGHRLIJST-UHFFFAOYSA-N -1 3 383.416 0.404 20 50 GCGDHM Cc1nn(C)c(C)c1CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737511406 945087068 /nfs/dbraw/zinc/08/70/68/945087068.db2.gz RSXFQFGHRLIJST-UHFFFAOYSA-N -1 3 383.416 0.404 20 50 GCGDHM Cc1noc(CCCNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000737535774 945091330 /nfs/dbraw/zinc/09/13/30/945091330.db2.gz YNRHIAOUKIGDGJ-NTUHNPAUSA-N -1 3 381.400 0.861 20 50 GCGDHM Cc1noc(CCCNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000737535774 945091337 /nfs/dbraw/zinc/09/13/37/945091337.db2.gz YNRHIAOUKIGDGJ-NTUHNPAUSA-N -1 3 381.400 0.861 20 50 GCGDHM Cn1c(=O)c2ccccc2nc1NNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737595832 945098191 /nfs/dbraw/zinc/09/81/91/945098191.db2.gz LPPTYPMGADEVQZ-UHFFFAOYSA-N -1 3 391.395 0.669 20 50 GCGDHM Cn1cc(C(=O)NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000737601333 945100057 /nfs/dbraw/zinc/10/00/57/945100057.db2.gz CIQUNAWOVXNLKK-UHFFFAOYSA-N -1 3 377.821 0.885 20 50 GCGDHM Cn1cc(C(=O)NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737601333 945100065 /nfs/dbraw/zinc/10/00/65/945100065.db2.gz CIQUNAWOVXNLKK-UHFFFAOYSA-N -1 3 377.821 0.885 20 50 GCGDHM Cn1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(-c2cccnc2)n1 ZINC000737603917 945100507 /nfs/dbraw/zinc/10/05/07/945100507.db2.gz RZVYFPNPZCNYKR-UHFFFAOYSA-N -1 3 389.379 0.737 20 50 GCGDHM Cn1cc([C@H]2CCN(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000737606405 945102802 /nfs/dbraw/zinc/10/28/02/945102802.db2.gz QXSGEUUGOZSBMT-ZDUSSCGKSA-N -1 3 381.400 0.444 20 50 GCGDHM Cn1cc([C@H]2CCN(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000737606405 945102805 /nfs/dbraw/zinc/10/28/05/945102805.db2.gz QXSGEUUGOZSBMT-ZDUSSCGKSA-N -1 3 381.400 0.444 20 50 GCGDHM N#Cc1ccc(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737723178 945116821 /nfs/dbraw/zinc/11/68/21/945116821.db2.gz SBNXIDIWBSJKGL-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1ccc(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737723178 945116827 /nfs/dbraw/zinc/11/68/27/945116827.db2.gz SBNXIDIWBSJKGL-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737721608 945117027 /nfs/dbraw/zinc/11/70/27/945117027.db2.gz ABLAYQPAPVLWPT-UHFFFAOYSA-N -1 3 392.383 0.189 20 50 GCGDHM N#Cc1cccc(C(=O)NNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737721608 945117035 /nfs/dbraw/zinc/11/70/35/945117035.db2.gz ABLAYQPAPVLWPT-UHFFFAOYSA-N -1 3 392.383 0.189 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)c1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738060 945120986 /nfs/dbraw/zinc/12/09/86/945120986.db2.gz UVMBRDFEIGRPPJ-HNNXBMFYSA-N -1 3 376.380 0.809 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)c1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738060 945120990 /nfs/dbraw/zinc/12/09/90/945120990.db2.gz UVMBRDFEIGRPPJ-HNNXBMFYSA-N -1 3 376.380 0.809 20 50 GCGDHM NC(=O)[C@H](NNC(=O)c1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738061 945121021 /nfs/dbraw/zinc/12/10/21/945121021.db2.gz UVMBRDFEIGRPPJ-OAHLLOKOSA-N -1 3 376.380 0.809 20 50 GCGDHM NC(=O)[C@H](NNC(=O)c1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738061 945121023 /nfs/dbraw/zinc/12/10/23/945121023.db2.gz UVMBRDFEIGRPPJ-OAHLLOKOSA-N -1 3 376.380 0.809 20 50 GCGDHM NC(=O)COc1ccc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737752594 945121906 /nfs/dbraw/zinc/12/19/06/945121906.db2.gz IICHVYQFGROIDU-UHFFFAOYSA-N -1 3 396.367 0.197 20 50 GCGDHM NC(=O)COc1ccc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737752594 945121910 /nfs/dbraw/zinc/12/19/10/945121910.db2.gz IICHVYQFGROIDU-UHFFFAOYSA-N -1 3 396.367 0.197 20 50 GCGDHM NC(=O)c1ccc(NC(=S)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737759917 945122791 /nfs/dbraw/zinc/12/27/91/945122791.db2.gz KQFLKLHUPXDEIO-UHFFFAOYSA-N -1 3 382.409 0.597 20 50 GCGDHM NC(=O)c1ccc(NC(=S)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737759917 945122799 /nfs/dbraw/zinc/12/27/99/945122799.db2.gz KQFLKLHUPXDEIO-UHFFFAOYSA-N -1 3 382.409 0.597 20 50 GCGDHM O=C(CCNC(=O)C1CCCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737845937 945137187 /nfs/dbraw/zinc/13/71/87/945137187.db2.gz BSXGSSRIKAFLDZ-UHFFFAOYSA-N -1 3 385.428 0.714 20 50 GCGDHM O=C(CCNC(=O)C1CCCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737845937 945137190 /nfs/dbraw/zinc/13/71/90/945137190.db2.gz BSXGSSRIKAFLDZ-UHFFFAOYSA-N -1 3 385.428 0.714 20 50 GCGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NNC(=O)COc1ccccc1O ZINC000737853956 945138900 /nfs/dbraw/zinc/13/89/00/945138900.db2.gz PEAZQIZJADCADS-UHFFFAOYSA-N -1 3 382.380 0.731 20 50 GCGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NNC(=O)COc1ccccc1O ZINC000737853956 945138905 /nfs/dbraw/zinc/13/89/05/945138905.db2.gz PEAZQIZJADCADS-UHFFFAOYSA-N -1 3 382.380 0.731 20 50 GCGDHM O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737888957 945144746 /nfs/dbraw/zinc/14/47/46/945144746.db2.gz IQNNKAXACARPSV-UHFFFAOYSA-N -1 3 395.379 0.554 20 50 GCGDHM O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737888957 945144750 /nfs/dbraw/zinc/14/47/50/945144750.db2.gz IQNNKAXACARPSV-UHFFFAOYSA-N -1 3 395.379 0.554 20 50 GCGDHM O=C(COC(=O)Cc1cccc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737904874 945148242 /nfs/dbraw/zinc/14/82/42/945148242.db2.gz RHKUXOONWQHHHU-UHFFFAOYSA-N -1 3 398.354 0.553 20 50 GCGDHM O=C(COC(=O)Cc1cccc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737904874 945148249 /nfs/dbraw/zinc/14/82/49/945148249.db2.gz RHKUXOONWQHHHU-UHFFFAOYSA-N -1 3 398.354 0.553 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1CCOc2ccccc21 ZINC000737919847 945153801 /nfs/dbraw/zinc/15/38/01/945153801.db2.gz YKNGMJRBTHMQCA-HNNXBMFYSA-N -1 3 394.391 0.959 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=S)NC(C1CC1)C1CC1 ZINC000737930992 945158453 /nfs/dbraw/zinc/15/84/53/945158453.db2.gz QGUIYSHUIQKRSN-UHFFFAOYSA-N -1 3 387.469 0.929 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=S)NC(C1CC1)C1CC1 ZINC000737930992 945158456 /nfs/dbraw/zinc/15/84/56/945158456.db2.gz QGUIYSHUIQKRSN-UHFFFAOYSA-N -1 3 387.469 0.929 20 50 GCGDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1ccccn1 ZINC000737930042 945158151 /nfs/dbraw/zinc/15/81/51/945158151.db2.gz AKQMHBXECMCHEA-UHFFFAOYSA-N -1 3 383.437 0.885 20 50 GCGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccccn1 ZINC000737930042 945158152 /nfs/dbraw/zinc/15/81/52/945158152.db2.gz AKQMHBXECMCHEA-UHFFFAOYSA-N -1 3 383.437 0.885 20 50 GCGDHM O=C(CSC[C@H]1CCCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737932819 945159591 /nfs/dbraw/zinc/15/95/91/945159591.db2.gz QPBQRTCJVOXPFO-CYBMUJFWSA-N -1 3 376.442 0.930 20 50 GCGDHM O=C(CSC[C@H]1CCCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737932819 945159595 /nfs/dbraw/zinc/15/95/95/945159595.db2.gz QPBQRTCJVOXPFO-CYBMUJFWSA-N -1 3 376.442 0.930 20 50 GCGDHM O=C(Cc1ccsc1)NNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737974408 945168978 /nfs/dbraw/zinc/16/89/78/945168978.db2.gz ACKNTVLUOBUEHQ-UHFFFAOYSA-N -1 3 387.429 0.308 20 50 GCGDHM O=C(Cc1ccsc1)NNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737974408 945168985 /nfs/dbraw/zinc/16/89/85/945168985.db2.gz ACKNTVLUOBUEHQ-UHFFFAOYSA-N -1 3 387.429 0.308 20 50 GCGDHM O=C(Cn1ccc(=O)c2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737987101 945172471 /nfs/dbraw/zinc/17/24/71/945172471.db2.gz READYILQGHBLQV-UHFFFAOYSA-N -1 3 389.375 0.643 20 50 GCGDHM O=C(Cn1ccc(=O)c2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737987101 945172474 /nfs/dbraw/zinc/17/24/74/945172474.db2.gz READYILQGHBLQV-UHFFFAOYSA-N -1 3 389.375 0.643 20 50 GCGDHM O=C(NCCOC[C@H]1CCCO1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738081360 945183653 /nfs/dbraw/zinc/18/36/53/945183653.db2.gz BVRRLSVFFREWFI-CYBMUJFWSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCCOC[C@H]1CCCO1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738081360 945183663 /nfs/dbraw/zinc/18/36/63/945183663.db2.gz BVRRLSVFFREWFI-CYBMUJFWSA-N -1 3 375.389 0.006 20 50 GCGDHM O=C(NCc1ccco1)NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738124681 945194939 /nfs/dbraw/zinc/19/49/39/945194939.db2.gz VJEXPDXBRZPWBR-HNNXBMFYSA-N -1 3 396.411 0.959 20 50 GCGDHM O=C(NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12)[C@@H]1COc2ccccc2O1 ZINC000738130101 945206415 /nfs/dbraw/zinc/20/64/15/945206415.db2.gz JXPGPPCGTJNDOD-HNNXBMFYSA-N -1 3 390.363 0.805 20 50 GCGDHM O=C(NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12)[C@@H]1COc2ccccc2O1 ZINC000738130101 945206425 /nfs/dbraw/zinc/20/64/25/945206425.db2.gz JXPGPPCGTJNDOD-HNNXBMFYSA-N -1 3 390.363 0.805 20 50 GCGDHM O=C(NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CCCC1 ZINC000738134835 945222661 /nfs/dbraw/zinc/22/26/61/945222661.db2.gz UUGMGMNUDVAPIY-UHFFFAOYSA-N -1 3 394.848 0.460 20 50 GCGDHM O=C(NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N1CCCC1 ZINC000738134835 945222666 /nfs/dbraw/zinc/22/26/66/945222666.db2.gz UUGMGMNUDVAPIY-UHFFFAOYSA-N -1 3 394.848 0.460 20 50 GCGDHM O=C(NNC(=O)c1cccnc1N1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134855 945222883 /nfs/dbraw/zinc/22/28/83/945222883.db2.gz VXWXOKDJCWABHZ-UHFFFAOYSA-N -1 3 394.395 0.173 20 50 GCGDHM O=C(NNC(=O)N1CCN(CC(F)F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738136376 945232826 /nfs/dbraw/zinc/23/28/26/945232826.db2.gz KZXGDNPQLGVZPK-UHFFFAOYSA-N -1 3 380.359 0.104 20 50 GCGDHM O=C(NNC(=O)N1CCN(CC(F)F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738136376 945232833 /nfs/dbraw/zinc/23/28/33/945232833.db2.gz KZXGDNPQLGVZPK-UHFFFAOYSA-N -1 3 380.359 0.104 20 50 GCGDHM O=C(NNC(=O)N1CCN(c2ccccn2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738137695 945246582 /nfs/dbraw/zinc/24/65/82/945246582.db2.gz XWCBSSNENNCXCS-UHFFFAOYSA-N -1 3 393.411 0.438 20 50 GCGDHM O=C(NNC(=O)N1CCN(c2ccccn2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738137695 945246593 /nfs/dbraw/zinc/24/65/93/945246593.db2.gz XWCBSSNENNCXCS-UHFFFAOYSA-N -1 3 393.411 0.438 20 50 GCGDHM O=C(NNc1cccnn1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738137819 945248712 /nfs/dbraw/zinc/24/87/12/945248712.db2.gz SBZYAUJYLPAVTM-UHFFFAOYSA-N -1 3 381.404 0.347 20 50 GCGDHM O=C(NNC(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(-c2nnn[n-]2)c1 ZINC000738302670 945258764 /nfs/dbraw/zinc/25/87/64/945258764.db2.gz MDPBQAZTAYYAKW-UHFFFAOYSA-N -1 3 377.364 0.826 20 50 GCGDHM O=C(NNC(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(-c2nn[n-]n2)c1 ZINC000738302670 945258772 /nfs/dbraw/zinc/25/87/72/945258772.db2.gz MDPBQAZTAYYAKW-UHFFFAOYSA-N -1 3 377.364 0.826 20 50 GCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000819883002 945306495 /nfs/dbraw/zinc/30/64/95/945306495.db2.gz DPSMBLNNOZJIRY-SNVBAGLBSA-N -1 3 384.352 0.568 20 50 GCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000819883002 945306499 /nfs/dbraw/zinc/30/64/99/945306499.db2.gz DPSMBLNNOZJIRY-SNVBAGLBSA-N -1 3 384.352 0.568 20 50 GCGDHM CC(C)(C)N1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000819914337 945312668 /nfs/dbraw/zinc/31/26/68/945312668.db2.gz QJXDCANDFLJVEF-GFCCVEGCSA-N -1 3 386.416 0.210 20 50 GCGDHM CC(C)(C)N1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000819914337 945312675 /nfs/dbraw/zinc/31/26/75/945312675.db2.gz QJXDCANDFLJVEF-GFCCVEGCSA-N -1 3 386.416 0.210 20 50 GCGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1ccccn1 ZINC000820001640 945326242 /nfs/dbraw/zinc/32/62/42/945326242.db2.gz WMHMSQODFKKGKZ-UHFFFAOYSA-N -1 3 381.396 0.809 20 50 GCGDHM CC(C)CO[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820096422 945349263 /nfs/dbraw/zinc/34/92/63/945349263.db2.gz CSHGGOVVQCCZQF-HNNXBMFYSA-N -1 3 387.444 0.375 20 50 GCGDHM CC(C)CO[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820096422 945349273 /nfs/dbraw/zinc/34/92/73/945349273.db2.gz CSHGGOVVQCCZQF-HNNXBMFYSA-N -1 3 387.444 0.375 20 50 GCGDHM CC(C)Cn1ccnc1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820108714 945352617 /nfs/dbraw/zinc/35/26/17/945352617.db2.gz PKJGJMPXBUOVJP-UHFFFAOYSA-N -1 3 383.416 0.863 20 50 GCGDHM CC(C)Cn1ccnc1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820108714 945352631 /nfs/dbraw/zinc/35/26/31/945352631.db2.gz PKJGJMPXBUOVJP-UHFFFAOYSA-N -1 3 383.416 0.863 20 50 GCGDHM CC(C)OC(=O)[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820137102 945359733 /nfs/dbraw/zinc/35/97/33/945359733.db2.gz FDFBPEPLMQYHSW-SNVBAGLBSA-N -1 3 375.389 0.398 20 50 GCGDHM CC(C)OC(=O)[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820137102 945359739 /nfs/dbraw/zinc/35/97/39/945359739.db2.gz FDFBPEPLMQYHSW-SNVBAGLBSA-N -1 3 375.389 0.398 20 50 GCGDHM CC(C)OC(=O)[C@H](C)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820136753 945358994 /nfs/dbraw/zinc/35/89/94/945358994.db2.gz BKIKOVMADFRIPH-SNVBAGLBSA-N -1 3 375.389 0.398 20 50 GCGDHM CC(C)OC(=O)[C@H](C)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820136753 945359005 /nfs/dbraw/zinc/35/90/05/945359005.db2.gz BKIKOVMADFRIPH-SNVBAGLBSA-N -1 3 375.389 0.398 20 50 GCGDHM CC(C)c1n[nH]cc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820183420 945367884 /nfs/dbraw/zinc/36/78/84/945367884.db2.gz BEHSOHJVSUWLDY-UHFFFAOYSA-N -1 3 398.383 0.331 20 50 GCGDHM CC(=O)N1CCC(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000735461869 944661216 /nfs/dbraw/zinc/66/12/16/944661216.db2.gz SMGKCOVMNYCWEY-PXNMLYILSA-N -1 3 396.455 0.795 20 50 GCGDHM CC(=O)N1CCC(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000735461869 944661223 /nfs/dbraw/zinc/66/12/23/944661223.db2.gz SMGKCOVMNYCWEY-PXNMLYILSA-N -1 3 396.455 0.795 20 50 GCGDHM CC(=O)NCc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735482518 944666214 /nfs/dbraw/zinc/66/62/14/944666214.db2.gz RGVAEYICXFLVKT-UHFFFAOYSA-N -1 3 379.380 0.578 20 50 GCGDHM CC(=O)NCc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735482518 944666220 /nfs/dbraw/zinc/66/62/20/944666220.db2.gz RGVAEYICXFLVKT-UHFFFAOYSA-N -1 3 379.380 0.578 20 50 GCGDHM CC(=O)Nc1cccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735489288 944666444 /nfs/dbraw/zinc/66/64/44/944666444.db2.gz YYRBYVFWNUAFRV-UHFFFAOYSA-N -1 3 394.395 0.969 20 50 GCGDHM CC(=O)Nc1cccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735489288 944666450 /nfs/dbraw/zinc/66/64/50/944666450.db2.gz YYRBYVFWNUAFRV-UHFFFAOYSA-N -1 3 394.395 0.969 20 50 GCGDHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735587328 944674438 /nfs/dbraw/zinc/67/44/38/944674438.db2.gz UMKPVUOBFWGROP-CQSZACIVSA-N -1 3 399.455 0.912 20 50 GCGDHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000735587328 944674458 /nfs/dbraw/zinc/67/44/58/944674458.db2.gz UMKPVUOBFWGROP-CQSZACIVSA-N -1 3 399.455 0.912 20 50 GCGDHM CC(C)(C)c1noc(CCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000735654611 944685038 /nfs/dbraw/zinc/68/50/38/944685038.db2.gz IDKNOFKTANYCRR-UHFFFAOYSA-N -1 3 384.400 0.941 20 50 GCGDHM CC(C)(C)c1noc(CCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000735654611 944685044 /nfs/dbraw/zinc/68/50/44/944685044.db2.gz IDKNOFKTANYCRR-UHFFFAOYSA-N -1 3 384.400 0.941 20 50 GCGDHM CC(C)C(=O)N1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735683672 944688819 /nfs/dbraw/zinc/68/88/19/944688819.db2.gz CKFMXMJVPFDDRV-UHFFFAOYSA-N -1 3 386.416 0.021 20 50 GCGDHM CC(C)C(=O)N1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735683672 944688826 /nfs/dbraw/zinc/68/88/26/944688826.db2.gz CKFMXMJVPFDDRV-UHFFFAOYSA-N -1 3 386.416 0.021 20 50 GCGDHM CC(C)C(=O)N1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735684238 944688898 /nfs/dbraw/zinc/68/88/98/944688898.db2.gz KKYPOTZMKDNQFQ-UHFFFAOYSA-N -1 3 386.416 0.021 20 50 GCGDHM CC(C)C(=O)N1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735684238 944688903 /nfs/dbraw/zinc/68/89/03/944688903.db2.gz KKYPOTZMKDNQFQ-UHFFFAOYSA-N -1 3 386.416 0.021 20 50 GCGDHM CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000735756672 944695894 /nfs/dbraw/zinc/69/58/94/944695894.db2.gz PRUVECSVXMWZAY-MRVPVSSYSA-N -1 3 389.445 0.390 20 50 GCGDHM CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000735756672 944695896 /nfs/dbraw/zinc/69/58/96/944695896.db2.gz PRUVECSVXMWZAY-MRVPVSSYSA-N -1 3 389.445 0.390 20 50 GCGDHM C[C@H](CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC(=O)C1CCCC1 ZINC000735973585 944726937 /nfs/dbraw/zinc/72/69/37/944726937.db2.gz BEWGRRXWOMSPSO-LLVKDONJSA-N -1 3 385.428 0.713 20 50 GCGDHM C[C@H](CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC(=O)C1CCCC1 ZINC000735973585 944726945 /nfs/dbraw/zinc/72/69/45/944726945.db2.gz BEWGRRXWOMSPSO-LLVKDONJSA-N -1 3 385.428 0.713 20 50 GCGDHM C[C@@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736119485 944742996 /nfs/dbraw/zinc/74/29/96/944742996.db2.gz ZEHHEQUJAFCCPR-LLVKDONJSA-N -1 3 394.395 0.838 20 50 GCGDHM C[C@@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736119485 944743003 /nfs/dbraw/zinc/74/30/03/944743003.db2.gz ZEHHEQUJAFCCPR-LLVKDONJSA-N -1 3 394.395 0.838 20 50 GCGDHM C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736118733 944743635 /nfs/dbraw/zinc/74/36/35/944743635.db2.gz VOYLGTNMVDNPHJ-VIFPVBQESA-N -1 3 375.389 0.541 20 50 GCGDHM C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736118733 944743642 /nfs/dbraw/zinc/74/36/42/944743642.db2.gz VOYLGTNMVDNPHJ-VIFPVBQESA-N -1 3 375.389 0.541 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1nnc2ccccn21 ZINC000736119846 944745074 /nfs/dbraw/zinc/74/50/74/944745074.db2.gz VJLWKQJYNMTIOI-SNVBAGLBSA-N -1 3 392.383 0.615 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1nnc2ccccn21 ZINC000736119846 944745083 /nfs/dbraw/zinc/74/50/83/944745083.db2.gz VJLWKQJYNMTIOI-SNVBAGLBSA-N -1 3 392.383 0.615 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1nnc2ccccn21 ZINC000736119845 944745592 /nfs/dbraw/zinc/74/55/92/944745592.db2.gz VJLWKQJYNMTIOI-JTQLQIEISA-N -1 3 392.383 0.615 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1nnc2ccccn21 ZINC000736119845 944745597 /nfs/dbraw/zinc/74/55/97/944745597.db2.gz VJLWKQJYNMTIOI-JTQLQIEISA-N -1 3 392.383 0.615 20 50 GCGDHM C[C@H]1CCC[C@H](OCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736262508 944779024 /nfs/dbraw/zinc/77/90/24/944779024.db2.gz NBGJQLNTXXPFAK-WFASDCNBSA-N -1 3 388.428 0.988 20 50 GCGDHM CCC(=O)NNC(=O)[C@H](C)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736305848 944797837 /nfs/dbraw/zinc/79/78/37/944797837.db2.gz XHLAOHIFBZNNOK-NSHDSACASA-N -1 3 390.423 0.074 20 50 GCGDHM CCC(=O)NNC(=O)[C@H](C)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736305848 944797845 /nfs/dbraw/zinc/79/78/45/944797845.db2.gz XHLAOHIFBZNNOK-NSHDSACASA-N -1 3 390.423 0.074 20 50 GCGDHM CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736409042 944814929 /nfs/dbraw/zinc/81/49/29/944814929.db2.gz CEZDPNMPWFOFGB-CQSZACIVSA-N -1 3 385.428 0.809 20 50 GCGDHM CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736409042 944814936 /nfs/dbraw/zinc/81/49/36/944814936.db2.gz CEZDPNMPWFOFGB-CQSZACIVSA-N -1 3 385.428 0.809 20 50 GCGDHM CCCCNC(=O)NNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736461464 944828690 /nfs/dbraw/zinc/82/86/90/944828690.db2.gz QVYBJGYFYPBBGC-UHFFFAOYSA-N -1 3 384.404 0.379 20 50 GCGDHM CCCCNC(=O)NNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736461464 944828697 /nfs/dbraw/zinc/82/86/97/944828697.db2.gz QVYBJGYFYPBBGC-UHFFFAOYSA-N -1 3 384.404 0.379 20 50 GCGDHM CN(CCc1ccccn1)C(=O)CNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736805540 944894069 /nfs/dbraw/zinc/89/40/69/944894069.db2.gz HLNPXUJFHAJLTA-UHFFFAOYSA-N -1 3 395.427 0.589 20 50 GCGDHM CN(CCc1ccccn1)C(=O)CNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736805540 944894079 /nfs/dbraw/zinc/89/40/79/944894079.db2.gz HLNPXUJFHAJLTA-UHFFFAOYSA-N -1 3 395.427 0.589 20 50 GCGDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NNC(=O)CNC(=O)c1ccco1 ZINC000736821675 944896168 /nfs/dbraw/zinc/89/61/68/944896168.db2.gz YQERJQIICMJXAF-UHFFFAOYSA-N -1 3 398.383 0.062 20 50 GCGDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NNC(=O)CNC(=O)c1ccco1 ZINC000736821675 944896176 /nfs/dbraw/zinc/89/61/76/944896176.db2.gz YQERJQIICMJXAF-UHFFFAOYSA-N -1 3 398.383 0.062 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895317 944906046 /nfs/dbraw/zinc/90/60/46/944906046.db2.gz FVDMDXIJUZKFEJ-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895317 944906056 /nfs/dbraw/zinc/90/60/56/944906056.db2.gz FVDMDXIJUZKFEJ-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736893614 944906181 /nfs/dbraw/zinc/90/61/81/944906181.db2.gz ADCXTHKHKPTFOM-CVEARBPZSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736893614 944906188 /nfs/dbraw/zinc/90/61/88/944906188.db2.gz ADCXTHKHKPTFOM-CVEARBPZSA-N -1 3 394.391 0.705 20 50 GCGDHM COCCCNC(=S)N(C)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736988058 944928328 /nfs/dbraw/zinc/92/83/28/944928328.db2.gz ZTABRDZEXPZVPJ-LLVKDONJSA-N -1 3 393.473 0.508 20 50 GCGDHM COCCOc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737011733 944931613 /nfs/dbraw/zinc/93/16/13/944931613.db2.gz YBASVYQPBVFVRC-UHFFFAOYSA-N -1 3 382.380 0.967 20 50 GCGDHM COCCOc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737011733 944931619 /nfs/dbraw/zinc/93/16/19/944931619.db2.gz YBASVYQPBVFVRC-UHFFFAOYSA-N -1 3 382.380 0.967 20 50 GCGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNC(=O)Cc1ccccn1 ZINC000737022900 944932866 /nfs/dbraw/zinc/93/28/66/944932866.db2.gz DMMJRAZRLHHWTG-UHFFFAOYSA-N -1 3 383.368 0.039 20 50 GCGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNC(=O)Cc1ccccn1 ZINC000737022900 944932874 /nfs/dbraw/zinc/93/28/74/944932874.db2.gz DMMJRAZRLHHWTG-UHFFFAOYSA-N -1 3 383.368 0.039 20 50 GCGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNC(=O)Cc1ccsc1 ZINC000737022703 944933366 /nfs/dbraw/zinc/93/33/66/944933366.db2.gz AGFPARCHIPWCER-UHFFFAOYSA-N -1 3 388.409 0.706 20 50 GCGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNC(=O)Cc1ccsc1 ZINC000737022703 944933369 /nfs/dbraw/zinc/93/33/69/944933369.db2.gz AGFPARCHIPWCER-UHFFFAOYSA-N -1 3 388.409 0.706 20 50 GCGDHM COCCOc1ccc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737014103 944934281 /nfs/dbraw/zinc/93/42/81/944934281.db2.gz FUSCWWFNMYHLJD-UHFFFAOYSA-N -1 3 398.383 0.753 20 50 GCGDHM COCCOc1ccc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737014103 944934285 /nfs/dbraw/zinc/93/42/85/944934285.db2.gz FUSCWWFNMYHLJD-UHFFFAOYSA-N -1 3 398.383 0.753 20 50 GCGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNC(=O)Cc1cccnc1 ZINC000737023955 944935532 /nfs/dbraw/zinc/93/55/32/944935532.db2.gz PHMPSGMFPGUKTA-UHFFFAOYSA-N -1 3 383.368 0.039 20 50 GCGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNC(=O)Cc1cccnc1 ZINC000737023955 944935533 /nfs/dbraw/zinc/93/55/33/944935533.db2.gz PHMPSGMFPGUKTA-UHFFFAOYSA-N -1 3 383.368 0.039 20 50 GCGDHM COc1cc(C=O)ccc1OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737045149 944940766 /nfs/dbraw/zinc/94/07/66/944940766.db2.gz XMMFWRIJEJDNNX-UHFFFAOYSA-N -1 3 396.363 0.528 20 50 GCGDHM COc1cc(C=O)ccc1OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737045149 944940770 /nfs/dbraw/zinc/94/07/70/944940770.db2.gz XMMFWRIJEJDNNX-UHFFFAOYSA-N -1 3 396.363 0.528 20 50 GCGDHM COc1cc2c(cc1OC)C(=NNC(=O)c1cccc(-c3nnn[n-]3)c1)C(=O)N2 ZINC000737056678 944942451 /nfs/dbraw/zinc/94/24/51/944942451.db2.gz YCINLXKXOJGWIA-UHFFFAOYSA-N -1 3 393.363 0.970 20 50 GCGDHM COc1cc2c(cc1OC)C(=NNC(=O)c1cccc(-c3nn[n-]n3)c1)C(=O)N2 ZINC000737056678 944942460 /nfs/dbraw/zinc/94/24/60/944942460.db2.gz YCINLXKXOJGWIA-UHFFFAOYSA-N -1 3 393.363 0.970 20 50 GCGDHM COc1ccc([C@H](O)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737076882 944947854 /nfs/dbraw/zinc/94/78/54/944947854.db2.gz SNIONAXDPLIPIL-OAHLLOKOSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1ccc([C@H](O)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737076882 944947860 /nfs/dbraw/zinc/94/78/60/944947860.db2.gz SNIONAXDPLIPIL-OAHLLOKOSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1ccc(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737082297 944954373 /nfs/dbraw/zinc/95/43/73/944954373.db2.gz HETUEUIQKKPHHK-UHFFFAOYSA-N -1 3 397.351 0.787 20 50 GCGDHM COc1ccc(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737082297 944954380 /nfs/dbraw/zinc/95/43/80/944954380.db2.gz HETUEUIQKKPHHK-UHFFFAOYSA-N -1 3 397.351 0.787 20 50 GCGDHM COc1ccc2c(c1)OC[C@H](C(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC000737118142 944961356 /nfs/dbraw/zinc/96/13/56/944961356.db2.gz ANUMMADZXOEJQV-CQSZACIVSA-N -1 3 394.391 0.888 20 50 GCGDHM COc1ccc2c(c1)OC[C@H](C(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC000737118142 944961360 /nfs/dbraw/zinc/96/13/60/944961360.db2.gz ANUMMADZXOEJQV-CQSZACIVSA-N -1 3 394.391 0.888 20 50 GCGDHM COc1ccccc1C(=O)NNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737139476 944965161 /nfs/dbraw/zinc/96/51/61/944965161.db2.gz WNUCIDHXEGOEHA-UHFFFAOYSA-N -1 3 396.367 0.164 20 50 GCGDHM Cc1nnc2n1CCN(C(=O)C(C#N)=Cc1cc(-c3nnn[n-]3)n(C)c1C)C2 ZINC000737211127 944984653 /nfs/dbraw/zinc/98/46/53/944984653.db2.gz AQXMIQARYXHFMD-MLPAPPSSSA-N -1 3 378.400 0.363 20 50 GCGDHM Cc1nnc2n1CCN(C(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)C2 ZINC000737211127 944984660 /nfs/dbraw/zinc/98/46/60/944984660.db2.gz AQXMIQARYXHFMD-MLPAPPSSSA-N -1 3 378.400 0.363 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCc2cc(=O)c(O)co2)cc(-c2nn[n-]n2)n1C ZINC000737211520 944984932 /nfs/dbraw/zinc/98/49/32/944984932.db2.gz CEJTZAYJXMZPEK-JYOAFUTRSA-N -1 3 382.336 0.823 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc(-c2nnn[n-]2)n1C ZINC000737211753 944988140 /nfs/dbraw/zinc/98/81/40/944988140.db2.gz FNECSPIAKVYWDS-LIOBOASVSA-N -1 3 396.455 0.925 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](CCC(N)=O)C2)cc(-c2nn[n-]n2)n1C ZINC000737211753 944988145 /nfs/dbraw/zinc/98/81/45/944988145.db2.gz FNECSPIAKVYWDS-LIOBOASVSA-N -1 3 396.455 0.925 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2ccn(CCC(N)=O)n2)cc(-c2nn[n-]n2)n1C ZINC000737212073 944991159 /nfs/dbraw/zinc/99/11/59/944991159.db2.gz HOESITCRAAPPGL-GHXNOFRVSA-N -1 3 394.399 0.131 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCN2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000737212754 944994449 /nfs/dbraw/zinc/99/44/49/944994449.db2.gz MCMFYTSVAHYYAT-XNTDXEJSSA-N -1 3 384.444 0.211 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCC2N=NC(=S)N2C)cc(-c2nnn[n-]2)n1C ZINC000737212981 944997156 /nfs/dbraw/zinc/99/71/56/944997156.db2.gz OPMVMYOECGLOFP-WDZFZDKYSA-N -1 3 398.456 0.197 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCC2N=NC(=S)N2C)cc(-c2nn[n-]n2)n1C ZINC000737212981 944997160 /nfs/dbraw/zinc/99/71/60/944997160.db2.gz OPMVMYOECGLOFP-WDZFZDKYSA-N -1 3 398.456 0.197 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc(-c2nnn[n-]2)n1C ZINC000737213005 944998468 /nfs/dbraw/zinc/99/84/68/944998468.db2.gz OWODKTXQKMULLS-XNMMALDOSA-N -1 3 382.428 0.581 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc(-c2nn[n-]n2)n1C ZINC000737213005 944998474 /nfs/dbraw/zinc/99/84/74/944998474.db2.gz OWODKTXQKMULLS-XNMMALDOSA-N -1 3 382.428 0.581 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCC(=O)NC(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000737213218 944999154 /nfs/dbraw/zinc/99/91/54/944999154.db2.gz QUGXGLRGRPAOCA-JYRVWZFOSA-N -1 3 384.444 0.842 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCC(=O)NC(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000737213218 944999160 /nfs/dbraw/zinc/99/91/60/944999160.db2.gz QUGXGLRGRPAOCA-JYRVWZFOSA-N -1 3 384.444 0.842 20 50 GCGDHM Cc1cc2ncc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)c(C)n2n1 ZINC000737284768 945031272 /nfs/dbraw/zinc/03/12/72/945031272.db2.gz MKXMDMJMQQIUEI-UHFFFAOYSA-N -1 3 377.368 0.601 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(O)c1 ZINC000737314247 945035766 /nfs/dbraw/zinc/03/57/66/945035766.db2.gz AOHLBMVKVJXBMX-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(O)c1 ZINC000737314247 945035774 /nfs/dbraw/zinc/03/57/74/945035774.db2.gz AOHLBMVKVJXBMX-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM CC(C)n1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820214636 945388049 /nfs/dbraw/zinc/38/80/49/945388049.db2.gz LGAZKGASYGOOMD-UHFFFAOYSA-N -1 3 398.383 0.262 20 50 GCGDHM CC(C)n1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820214636 945388053 /nfs/dbraw/zinc/38/80/53/945388053.db2.gz LGAZKGASYGOOMD-UHFFFAOYSA-N -1 3 398.383 0.262 20 50 GCGDHM CC(C)n1ccc(CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820215645 945388147 /nfs/dbraw/zinc/38/81/47/945388147.db2.gz YAKPKPXTIZELIC-UHFFFAOYSA-N -1 3 384.400 0.413 20 50 GCGDHM C[C@H](CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000820226030 945389879 /nfs/dbraw/zinc/38/98/79/945389879.db2.gz SFUBBWAXYWHNIW-GFCCVEGCSA-N -1 3 381.396 0.982 20 50 GCGDHM C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820233203 945392045 /nfs/dbraw/zinc/39/20/45/945392045.db2.gz JKMGKZOSXCFVHD-VXGBXAGGSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820233203 945392061 /nfs/dbraw/zinc/39/20/61/945392061.db2.gz JKMGKZOSXCFVHD-VXGBXAGGSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000820268365 945402731 /nfs/dbraw/zinc/40/27/31/945402731.db2.gz AKTMALGDOKCXCV-LBPRGKRZSA-N -1 3 396.411 0.775 20 50 GCGDHM C[C@@H](CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000820268365 945402737 /nfs/dbraw/zinc/40/27/37/945402737.db2.gz AKTMALGDOKCXCV-LBPRGKRZSA-N -1 3 396.411 0.775 20 50 GCGDHM C[C@H](Cc1ccncc1)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820299805 945411289 /nfs/dbraw/zinc/41/12/89/945411289.db2.gz KSFFQLPIHGCICQ-GFCCVEGCSA-N -1 3 396.411 0.602 20 50 GCGDHM C[C@H](Cc1ccncc1)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820299805 945411293 /nfs/dbraw/zinc/41/12/93/945411293.db2.gz KSFFQLPIHGCICQ-GFCCVEGCSA-N -1 3 396.411 0.602 20 50 GCGDHM C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820450035 945452256 /nfs/dbraw/zinc/45/22/56/945452256.db2.gz GCEAOHMJZUZANB-ZCFIWIBFSA-N -1 3 393.351 0.266 20 50 GCGDHM C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820450035 945452264 /nfs/dbraw/zinc/45/22/64/945452264.db2.gz GCEAOHMJZUZANB-ZCFIWIBFSA-N -1 3 393.351 0.266 20 50 GCGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=S)N[C@@H](C)C1CC1 ZINC000820541062 945479080 /nfs/dbraw/zinc/47/90/80/945479080.db2.gz AVYJKKXPKPAMBD-UWVGGRQHSA-N -1 3 375.458 0.928 20 50 GCGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=S)N[C@@H](C)C1CC1 ZINC000820541062 945479086 /nfs/dbraw/zinc/47/90/86/945479086.db2.gz AVYJKKXPKPAMBD-UWVGGRQHSA-N -1 3 375.458 0.928 20 50 GCGDHM C[C@@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820690529 945527008 /nfs/dbraw/zinc/52/70/08/945527008.db2.gz NLKYXAFQSYAVLR-BXUZGUMPSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820690529 945527016 /nfs/dbraw/zinc/52/70/16/945527016.db2.gz NLKYXAFQSYAVLR-BXUZGUMPSA-N -1 3 386.412 0.997 20 50 GCGDHM CC[C@@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820971908 945601131 /nfs/dbraw/zinc/60/11/31/945601131.db2.gz HXNTYDLUJBQILK-CHWSQXEVSA-N -1 3 388.384 0.129 20 50 GCGDHM CC[C@@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820971908 945601136 /nfs/dbraw/zinc/60/11/36/945601136.db2.gz HXNTYDLUJBQILK-CHWSQXEVSA-N -1 3 388.384 0.129 20 50 GCGDHM CC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCS1 ZINC000820995359 945608345 /nfs/dbraw/zinc/60/83/45/945608345.db2.gz QHMCGWRWKPRTOD-CYBMUJFWSA-N -1 3 375.458 0.455 20 50 GCGDHM CC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCS1 ZINC000820995359 945608353 /nfs/dbraw/zinc/60/83/53/945608353.db2.gz QHMCGWRWKPRTOD-CYBMUJFWSA-N -1 3 375.458 0.455 20 50 GCGDHM CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1 ZINC000820995102 945608975 /nfs/dbraw/zinc/60/89/75/945608975.db2.gz NDFORYMULNXUJC-CYBMUJFWSA-N -1 3 375.458 0.455 20 50 GCGDHM CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1 ZINC000820995102 945608979 /nfs/dbraw/zinc/60/89/79/945608979.db2.gz NDFORYMULNXUJC-CYBMUJFWSA-N -1 3 375.458 0.455 20 50 GCGDHM CCc1oc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000821563945 945717080 /nfs/dbraw/zinc/71/70/80/945717080.db2.gz NAUIHXWZKDRCSZ-UHFFFAOYSA-N -1 3 398.379 0.949 20 50 GCGDHM CCc1oc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000821563945 945717098 /nfs/dbraw/zinc/71/70/98/945717098.db2.gz NAUIHXWZKDRCSZ-UHFFFAOYSA-N -1 3 398.379 0.949 20 50 GCGDHM CN(C)C(=O)[C@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821574595 945719901 /nfs/dbraw/zinc/71/99/01/945719901.db2.gz NQANFECWESJWHZ-QGZVFWFLSA-N -1 3 395.423 0.696 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1cccc(C#N)c1 ZINC000821593849 945731875 /nfs/dbraw/zinc/73/18/75/945731875.db2.gz MTFIXNRONMWEBL-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1cccc(C#N)c1 ZINC000821593849 945731880 /nfs/dbraw/zinc/73/18/80/945731880.db2.gz MTFIXNRONMWEBL-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821593779 945732046 /nfs/dbraw/zinc/73/20/46/945732046.db2.gz JWEBSJIMRLZWQY-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(C#N)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821593779 945732053 /nfs/dbraw/zinc/73/20/53/945732053.db2.gz JWEBSJIMRLZWQY-UHFFFAOYSA-N -1 3 390.407 0.631 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)cc1 ZINC000821593947 945732703 /nfs/dbraw/zinc/73/27/03/945732703.db2.gz RGCUUQVMFOBTNA-UHFFFAOYSA-N -1 3 383.387 0.899 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(F)cc1 ZINC000821593947 945732707 /nfs/dbraw/zinc/73/27/07/945732707.db2.gz RGCUUQVMFOBTNA-UHFFFAOYSA-N -1 3 383.387 0.899 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1cccc(O)c1 ZINC000821593755 945732891 /nfs/dbraw/zinc/73/28/91/945732891.db2.gz IPMQYHYNMYTZPO-UHFFFAOYSA-N -1 3 381.396 0.465 20 50 GCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1cccc(O)c1 ZINC000821593755 945732901 /nfs/dbraw/zinc/73/29/01/945732901.db2.gz IPMQYHYNMYTZPO-UHFFFAOYSA-N -1 3 381.396 0.465 20 50 GCGDHM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000821620769 945750704 /nfs/dbraw/zinc/75/07/04/945750704.db2.gz VAOYMIJMXAEQDP-APPDUMDISA-N -1 3 399.415 0.213 20 50 GCGDHM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000821620769 945750714 /nfs/dbraw/zinc/75/07/14/945750714.db2.gz VAOYMIJMXAEQDP-APPDUMDISA-N -1 3 399.415 0.213 20 50 GCGDHM CNC(=O)CC1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000821631541 945761243 /nfs/dbraw/zinc/76/12/43/945761243.db2.gz LHQZLOUDQNNWEU-DHDCSXOGSA-N -1 3 396.455 0.795 20 50 GCGDHM CNC(=O)CC1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000821631541 945761252 /nfs/dbraw/zinc/76/12/52/945761252.db2.gz LHQZLOUDQNNWEU-DHDCSXOGSA-N -1 3 396.455 0.795 20 50 GCGDHM COC(=O)[C@]1(F)CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821653922 945778088 /nfs/dbraw/zinc/77/80/88/945778088.db2.gz OTIYUECZLYRPEQ-NYDKFZDJSA-N -1 3 387.375 0.534 20 50 GCGDHM COC(=O)[C@]1(F)CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821653922 945778105 /nfs/dbraw/zinc/77/81/05/945778105.db2.gz OTIYUECZLYRPEQ-NYDKFZDJSA-N -1 3 387.375 0.534 20 50 GCGDHM COC(=O)C1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000821653850 945779839 /nfs/dbraw/zinc/77/98/39/945779839.db2.gz NDBAKPFPECTSDZ-UHFFFAOYSA-N -1 3 387.400 0.544 20 50 GCGDHM COC(=O)C1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000821653850 945779846 /nfs/dbraw/zinc/77/98/46/945779846.db2.gz NDBAKPFPECTSDZ-UHFFFAOYSA-N -1 3 387.400 0.544 20 50 GCGDHM COC(=O)C[C@H]1CCCN1C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821658667 945783252 /nfs/dbraw/zinc/78/32/52/945783252.db2.gz DSYLUHSSSSZFHH-SVSAJMPUSA-N -1 3 383.412 0.975 20 50 GCGDHM COC(=O)C[C@H]1CCCN1C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821658667 945783254 /nfs/dbraw/zinc/78/32/54/945783254.db2.gz DSYLUHSSSSZFHH-SVSAJMPUSA-N -1 3 383.412 0.975 20 50 GCGDHM COC(=O)C[C@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCO1 ZINC000821659310 945784822 /nfs/dbraw/zinc/78/48/22/945784822.db2.gz YSNLCJFSPHAJIY-XMRSSTEGSA-N -1 3 399.411 0.211 20 50 GCGDHM COC(=O)C[C@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCO1 ZINC000821659310 945784832 /nfs/dbraw/zinc/78/48/32/945784832.db2.gz YSNLCJFSPHAJIY-XMRSSTEGSA-N -1 3 399.411 0.211 20 50 GCGDHM COC(C)(C)C[C@@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821672458 945790834 /nfs/dbraw/zinc/79/08/34/945790834.db2.gz LGFOPSFBCYODAD-LLVKDONJSA-N -1 3 391.432 0.780 20 50 GCGDHM CO[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821678383 945797468 /nfs/dbraw/zinc/79/74/68/945797468.db2.gz NCDUHAWNEFDOLO-STQMWFEESA-N -1 3 389.416 0.389 20 50 GCGDHM CO[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821678383 945797484 /nfs/dbraw/zinc/79/74/84/945797484.db2.gz NCDUHAWNEFDOLO-STQMWFEESA-N -1 3 389.416 0.389 20 50 GCGDHM CO[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1(C)C ZINC000821678381 945798758 /nfs/dbraw/zinc/79/87/58/945798758.db2.gz NCDUHAWNEFDOLO-OLZOCXBDSA-N -1 3 389.416 0.389 20 50 GCGDHM CO[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1(C)C ZINC000821678381 945798764 /nfs/dbraw/zinc/79/87/64/945798764.db2.gz NCDUHAWNEFDOLO-OLZOCXBDSA-N -1 3 389.416 0.389 20 50 GCGDHM COCCOc1cccc(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821694021 945825337 /nfs/dbraw/zinc/82/53/37/945825337.db2.gz ZKLIUWLEMDOOGE-UHFFFAOYSA-N -1 3 396.407 0.896 20 50 GCGDHM COCCOc1cccc(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821694021 945825353 /nfs/dbraw/zinc/82/53/53/945825353.db2.gz ZKLIUWLEMDOOGE-UHFFFAOYSA-N -1 3 396.407 0.896 20 50 GCGDHM COc1ccccc1CN(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821896864 945901254 /nfs/dbraw/zinc/90/12/54/945901254.db2.gz CTSNGJZNVNKWDT-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM COc1ccccc1CN(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821896864 945901260 /nfs/dbraw/zinc/90/12/60/945901260.db2.gz CTSNGJZNVNKWDT-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM CSC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821956766 945909128 /nfs/dbraw/zinc/90/91/28/945909128.db2.gz XBDCIUTWRMLHFR-SECBINFHSA-N -1 3 378.414 0.170 20 50 GCGDHM CSC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821956766 945909139 /nfs/dbraw/zinc/90/91/39/945909139.db2.gz XBDCIUTWRMLHFR-SECBINFHSA-N -1 3 378.414 0.170 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](CC(N)=O)C2)cc(-c2nnn[n-]2)n1C ZINC000822027496 945933353 /nfs/dbraw/zinc/93/33/53/945933353.db2.gz HISAIMBQIKCIIS-FUEWVNAISA-N -1 3 382.428 0.535 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](CC(N)=O)C2)cc(-c2nn[n-]n2)n1C ZINC000822027496 945933358 /nfs/dbraw/zinc/93/33/58/945933358.db2.gz HISAIMBQIKCIIS-FUEWVNAISA-N -1 3 382.428 0.535 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(C(N)=O)n(C)c2)cc(-c2nnn[n-]2)n1C ZINC000822027484 945934519 /nfs/dbraw/zinc/93/45/19/945934519.db2.gz HHJHPKGOWYRULD-NYYWCZLTSA-N -1 3 379.384 0.497 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(C(N)=O)n(C)c2)cc(-c2nn[n-]n2)n1C ZINC000822027484 945934528 /nfs/dbraw/zinc/93/45/28/945934528.db2.gz HHJHPKGOWYRULD-NYYWCZLTSA-N -1 3 379.384 0.497 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2cccnc2)cc(-c2nn[n-]n2)n1C ZINC000822028180 945938502 /nfs/dbraw/zinc/93/85/02/945938502.db2.gz LZZCHRGXSKVINK-SZCQRLSZSA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCc3c[nH]nc3C2)cc(-c2nn[n-]n2)n1C ZINC000822028012 945938549 /nfs/dbraw/zinc/93/85/49/945938549.db2.gz KSEOEENJTAVGAU-GUVYXZIWSA-N -1 3 377.412 0.817 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(OCCCO)CC2)cc(-c2nnn[n-]2)n1C ZINC000822028381 945940934 /nfs/dbraw/zinc/94/09/34/945940934.db2.gz NSSUTEHIGDWCJG-XNTDXEJSSA-N -1 3 399.455 0.811 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(OCCCO)CC2)cc(-c2nn[n-]n2)n1C ZINC000822028381 945940940 /nfs/dbraw/zinc/94/09/40/945940940.db2.gz NSSUTEHIGDWCJG-XNTDXEJSSA-N -1 3 399.455 0.811 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC3(CNC(=O)C3)CC2)cc(-c2nnn[n-]2)n1C ZINC000822028351 945941411 /nfs/dbraw/zinc/94/14/11/945941411.db2.gz NHMVBQQKKXALKN-AUWJEWJLSA-N -1 3 394.439 0.549 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC3(CNC(=O)C3)CC2)cc(-c2nn[n-]n2)n1C ZINC000822028351 945941416 /nfs/dbraw/zinc/94/14/16/945941416.db2.gz NHMVBQQKKXALKN-AUWJEWJLSA-N -1 3 394.439 0.549 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2CCCS2(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822029015 945948513 /nfs/dbraw/zinc/94/85/13/945948513.db2.gz UKGAHTMWUPCBRI-MVXISAMASA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2CCCS2(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822029015 945948523 /nfs/dbraw/zinc/94/85/23/945948523.db2.gz UKGAHTMWUPCBRI-MVXISAMASA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc(-c2nnn[n-]2)n1C ZINC000822028986 945949322 /nfs/dbraw/zinc/94/93/22/945949322.db2.gz UEUROFPRHHKBQU-JRAHPNFSSA-N -1 3 397.439 0.827 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1C ZINC000822028986 945949332 /nfs/dbraw/zinc/94/93/32/945949332.db2.gz UEUROFPRHHKBQU-JRAHPNFSSA-N -1 3 397.439 0.827 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc(-c2nnn[n-]2)n1C ZINC000822028800 945950184 /nfs/dbraw/zinc/95/01/84/945950184.db2.gz SHIYIOXXYXOVBR-NVWZYQMFSA-N -1 3 395.345 0.946 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc(-c2nn[n-]n2)n1C ZINC000822028800 945950188 /nfs/dbraw/zinc/95/01/88/945950188.db2.gz SHIYIOXXYXOVBR-NVWZYQMFSA-N -1 3 395.345 0.946 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nnnn2C2CC2)cc(-c2nnn[n-]2)n1C ZINC000822029093 945952739 /nfs/dbraw/zinc/95/27/39/945952739.db2.gz VONKDSZYWZDKKN-WZUFQYTHSA-N -1 3 379.388 0.058 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nnnn2C2CC2)cc(-c2nn[n-]n2)n1C ZINC000822029093 945952746 /nfs/dbraw/zinc/95/27/46/945952746.db2.gz VONKDSZYWZDKKN-WZUFQYTHSA-N -1 3 379.388 0.058 20 50 GCGDHM Cc1c(N)cccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822034501 945958095 /nfs/dbraw/zinc/95/80/95/945958095.db2.gz FKNQAUQHGGFEIV-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1c(N)cccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822034501 945958098 /nfs/dbraw/zinc/95/80/98/945958098.db2.gz FKNQAUQHGGFEIV-UHFFFAOYSA-N -1 3 395.379 0.375 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822183661 945975476 /nfs/dbraw/zinc/97/54/76/945975476.db2.gz JHNYHNYKKMWBTQ-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822183661 945975482 /nfs/dbraw/zinc/97/54/82/945975482.db2.gz JHNYHNYKKMWBTQ-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cc(N2CC[C@H](NC(=O)NNc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822206199 945994176 /nfs/dbraw/zinc/99/41/76/945994176.db2.gz XULGZQHXLSMWNM-ZDUSSCGKSA-N -1 3 396.415 0.340 20 50 GCGDHM Cc1cc(N2CC[C@H](NC(=O)NNc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822206199 945994181 /nfs/dbraw/zinc/99/41/81/945994181.db2.gz XULGZQHXLSMWNM-ZDUSSCGKSA-N -1 3 396.415 0.340 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000822284025 946042242 /nfs/dbraw/zinc/04/22/42/946042242.db2.gz GRSZWLBSPAPWEN-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000822284025 946042253 /nfs/dbraw/zinc/04/22/53/946042253.db2.gz GRSZWLBSPAPWEN-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1cccc(CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822299807 946049403 /nfs/dbraw/zinc/04/94/03/946049403.db2.gz VLOBUBPCSXDJNQ-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1cccc(CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822299807 946049416 /nfs/dbraw/zinc/04/94/16/946049416.db2.gz VLOBUBPCSXDJNQ-UHFFFAOYSA-N -1 3 394.391 0.722 20 50 GCGDHM Cc1cccnc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822369874 946073424 /nfs/dbraw/zinc/07/34/24/946073424.db2.gz NXIXDXMUKMBQLB-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1cccnc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822369874 946073434 /nfs/dbraw/zinc/07/34/34/946073434.db2.gz NXIXDXMUKMBQLB-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1noc(C)c1CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822519846 946110671 /nfs/dbraw/zinc/11/06/71/946110671.db2.gz MYVSCYQZMPMTHC-UHFFFAOYSA-N -1 3 399.367 0.018 20 50 GCGDHM Cc1noc(C)c1CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822519846 946110683 /nfs/dbraw/zinc/11/06/83/946110683.db2.gz MYVSCYQZMPMTHC-UHFFFAOYSA-N -1 3 399.367 0.018 20 50 GCGDHM Cn1c(SCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)nnc1C1CC1 ZINC000822604742 946135396 /nfs/dbraw/zinc/13/53/96/946135396.db2.gz JNIGKXIPHOHMDN-UHFFFAOYSA-N -1 3 399.440 0.426 20 50 GCGDHM Cn1c(SCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)nnc1C1CC1 ZINC000822604742 946135411 /nfs/dbraw/zinc/13/54/11/946135411.db2.gz JNIGKXIPHOHMDN-UHFFFAOYSA-N -1 3 399.440 0.426 20 50 GCGDHM Cn1c(=O)c2ccccc2nc1NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822601042 946136268 /nfs/dbraw/zinc/13/62/68/946136268.db2.gz SRFYJZCYUFIHKX-UHFFFAOYSA-N -1 3 376.380 0.799 20 50 GCGDHM Cn1c(=O)c2ccccc2nc1NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822601042 946136276 /nfs/dbraw/zinc/13/62/76/946136276.db2.gz SRFYJZCYUFIHKX-UHFFFAOYSA-N -1 3 376.380 0.799 20 50 GCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)Cc1nc2ccccc2n1C ZINC000822645552 946142085 /nfs/dbraw/zinc/14/20/85/946142085.db2.gz DEAAEYGZUZWMCH-UHFFFAOYSA-N -1 3 379.384 0.096 20 50 GCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)Cc1nc2ccccc2n1C ZINC000822645552 946142095 /nfs/dbraw/zinc/14/20/95/946142095.db2.gz DEAAEYGZUZWMCH-UHFFFAOYSA-N -1 3 379.384 0.096 20 50 GCGDHM Cn1cc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(=O)[nH]c1=O ZINC000822670042 946149287 /nfs/dbraw/zinc/14/92/87/946149287.db2.gz ZOWSGVLWVVYCSU-UHFFFAOYSA-N -1 3 396.289 0.442 20 50 GCGDHM Cn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(=O)[nH]c1=O ZINC000822670042 946149294 /nfs/dbraw/zinc/14/92/94/946149294.db2.gz ZOWSGVLWVVYCSU-UHFFFAOYSA-N -1 3 396.289 0.442 20 50 GCGDHM Cn1cc([C@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822674347 946153373 /nfs/dbraw/zinc/15/33/73/946153373.db2.gz QXRXBEJZDQGGBE-OAHLLOKOSA-N -1 3 395.427 0.198 20 50 GCGDHM Cn1cc([C@H]2CCCN2CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822674347 946153394 /nfs/dbraw/zinc/15/33/94/946153394.db2.gz QXRXBEJZDQGGBE-OAHLLOKOSA-N -1 3 395.427 0.198 20 50 GCGDHM Cn1cc([C@H]2CN(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822673867 946153485 /nfs/dbraw/zinc/15/34/85/946153485.db2.gz DZDPOMPHQDMSLC-CQSZACIVSA-N -1 3 397.399 0.028 20 50 GCGDHM Cn1cc([C@H]2CN(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822673867 946153489 /nfs/dbraw/zinc/15/34/89/946153489.db2.gz DZDPOMPHQDMSLC-CQSZACIVSA-N -1 3 397.399 0.028 20 50 GCGDHM Cn1cc([C@@H]2CN(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822674695 946155744 /nfs/dbraw/zinc/15/57/44/946155744.db2.gz ZYDFXZCNPKUJRC-AWEZNQCLSA-N -1 3 397.399 0.028 20 50 GCGDHM Cn1cc([C@@H]2CN(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822674695 946155750 /nfs/dbraw/zinc/15/57/50/946155750.db2.gz ZYDFXZCNPKUJRC-AWEZNQCLSA-N -1 3 397.399 0.028 20 50 GCGDHM Cn1nc(C(=O)NN=Cc2cc(-c3nnn[n-]3)cs2)c2ccccc2c1=O ZINC000822704456 946160095 /nfs/dbraw/zinc/16/00/95/946160095.db2.gz LKGARYNOQMQGGC-UHFFFAOYSA-N -1 3 380.393 0.939 20 50 GCGDHM Cn1nc(C(=O)NN=Cc2cc(-c3nn[n-]n3)cs2)c2ccccc2c1=O ZINC000822704456 946160101 /nfs/dbraw/zinc/16/01/01/946160101.db2.gz LKGARYNOQMQGGC-UHFFFAOYSA-N -1 3 380.393 0.939 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)C=Cc1ccccc1-c1nnn[n-]1)[nH]c2=O ZINC000822708649 946163948 /nfs/dbraw/zinc/16/39/48/946163948.db2.gz AOVVBQRXIMWLMX-SREVYHEPSA-N -1 3 378.356 0.406 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)C=Cc1ccccc1-c1nn[n-]n1)[nH]c2=O ZINC000822708649 946163954 /nfs/dbraw/zinc/16/39/54/946163954.db2.gz AOVVBQRXIMWLMX-SREVYHEPSA-N -1 3 378.356 0.406 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822822870 946197728 /nfs/dbraw/zinc/19/77/28/946197728.db2.gz FYDJAHVZMQBVPV-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822822870 946197731 /nfs/dbraw/zinc/19/77/31/946197731.db2.gz FYDJAHVZMQBVPV-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM N#Cc1ccc(OCCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822833488 946199096 /nfs/dbraw/zinc/19/90/96/946199096.db2.gz QMLQBGBHOYJHDH-UHFFFAOYSA-N -1 3 392.379 0.761 20 50 GCGDHM N#Cc1ccc(OCCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822833488 946199101 /nfs/dbraw/zinc/19/91/01/946199101.db2.gz QMLQBGBHOYJHDH-UHFFFAOYSA-N -1 3 392.379 0.761 20 50 GCGDHM N#Cc1ccsc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822842724 946201692 /nfs/dbraw/zinc/20/16/92/946201692.db2.gz VPBCQZZTWYZWDZ-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM N#Cc1ccsc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822842724 946201700 /nfs/dbraw/zinc/20/17/00/946201700.db2.gz VPBCQZZTWYZWDZ-UHFFFAOYSA-N -1 3 397.376 0.418 20 50 GCGDHM N#Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822837008 946201965 /nfs/dbraw/zinc/20/19/65/946201965.db2.gz DUOXYHPUGSFJHO-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM N#Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837008 946201976 /nfs/dbraw/zinc/20/19/76/946201976.db2.gz DUOXYHPUGSFJHO-UHFFFAOYSA-N -1 3 391.347 0.356 20 50 GCGDHM Nc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822907274 946215062 /nfs/dbraw/zinc/21/50/62/946215062.db2.gz FNPGACRKBZAHGW-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM Nc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822907274 946215074 /nfs/dbraw/zinc/21/50/74/946215074.db2.gz FNPGACRKBZAHGW-UHFFFAOYSA-N -1 3 399.342 0.206 20 50 GCGDHM O=C(CCCNC(=O)c1cccnc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822958739 946233653 /nfs/dbraw/zinc/23/36/53/946233653.db2.gz FFKHJWULSIOTNF-UHFFFAOYSA-N -1 3 394.395 0.233 20 50 GCGDHM O=C(CCCNC(=O)c1cccnc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822958739 946233661 /nfs/dbraw/zinc/23/36/61/946233661.db2.gz FFKHJWULSIOTNF-UHFFFAOYSA-N -1 3 394.395 0.233 20 50 GCGDHM O=C(CN1CCC(C(F)F)CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822992166 946250976 /nfs/dbraw/zinc/25/09/76/946250976.db2.gz JUNKFYDZVIBSOA-UHFFFAOYSA-N -1 3 379.371 0.605 20 50 GCGDHM O=C(CN1CCC(C(F)F)CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822992166 946250985 /nfs/dbraw/zinc/25/09/85/946250985.db2.gz JUNKFYDZVIBSOA-UHFFFAOYSA-N -1 3 379.371 0.605 20 50 GCGDHM O=C(CN1CCC(n2ccnc2)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822992126 946251003 /nfs/dbraw/zinc/25/10/03/946251003.db2.gz IYMQFBNJJFSLNO-UHFFFAOYSA-N -1 3 395.427 0.161 20 50 GCGDHM O=C(CN1CCOc2ccccc2C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823002470 946262273 /nfs/dbraw/zinc/26/22/73/946262273.db2.gz YWNWNJYPJQMDCY-UHFFFAOYSA-N -1 3 393.407 0.522 20 50 GCGDHM O=C(CN1CCOc2ccccc2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823002470 946262284 /nfs/dbraw/zinc/26/22/84/946262284.db2.gz YWNWNJYPJQMDCY-UHFFFAOYSA-N -1 3 393.407 0.522 20 50 GCGDHM O=C(COC(=O)[C@@H]1CC1(Cl)Cl)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018526 946273205 /nfs/dbraw/zinc/27/32/05/946273205.db2.gz QIGQQRRVUANMDG-VIFPVBQESA-N -1 3 399.194 0.365 20 50 GCGDHM O=C(COC(=O)[C@@H]1CC1(Cl)Cl)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018526 946273216 /nfs/dbraw/zinc/27/32/16/946273216.db2.gz QIGQQRRVUANMDG-VIFPVBQESA-N -1 3 399.194 0.365 20 50 GCGDHM O=C(COC(=O)C1CC(F)(F)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018474 946274356 /nfs/dbraw/zinc/27/43/56/946274356.db2.gz OTVTZQLZFJJMAN-UHFFFAOYSA-N -1 3 380.311 0.216 20 50 GCGDHM O=C(COC(=O)C1CC(F)(F)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018474 946274362 /nfs/dbraw/zinc/27/43/62/946274362.db2.gz OTVTZQLZFJJMAN-UHFFFAOYSA-N -1 3 380.311 0.216 20 50 GCGDHM O=C(COC(=O)C[C@H]1CCCCO1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018825 946276812 /nfs/dbraw/zinc/27/68/12/946276812.db2.gz YLHVNFWURSYXIP-CYBMUJFWSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)C[C@H]1CCCCO1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018825 946276820 /nfs/dbraw/zinc/27/68/20/946276820.db2.gz YLHVNFWURSYXIP-CYBMUJFWSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)c1ccc(Cl)o1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027143 946281061 /nfs/dbraw/zinc/28/10/61/946281061.db2.gz NVFXOAUQEORVEF-UHFFFAOYSA-N -1 3 390.743 0.731 20 50 GCGDHM O=C(COC(=O)c1ccc(Cl)o1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027143 946281072 /nfs/dbraw/zinc/28/10/72/946281072.db2.gz NVFXOAUQEORVEF-UHFFFAOYSA-N -1 3 390.743 0.731 20 50 GCGDHM O=C(COC(=O)c1ccc(F)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823026774 946281649 /nfs/dbraw/zinc/28/16/49/946281649.db2.gz GTDVXDJQOVVTJG-UHFFFAOYSA-N -1 3 384.327 0.624 20 50 GCGDHM O=C(COC(=O)c1ccc(F)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823026774 946281656 /nfs/dbraw/zinc/28/16/56/946281656.db2.gz GTDVXDJQOVVTJG-UHFFFAOYSA-N -1 3 384.327 0.624 20 50 GCGDHM O=C(COC(=O)c1cncc(F)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823027683 946283505 /nfs/dbraw/zinc/28/35/05/946283505.db2.gz ZVDZXQFVGRVFPX-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(COC(=O)c1cncc(F)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823027683 946283515 /nfs/dbraw/zinc/28/35/15/946283515.db2.gz ZVDZXQFVGRVFPX-UHFFFAOYSA-N -1 3 385.315 0.019 20 50 GCGDHM O=C(Cc1ccccc1F)NNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823115607 946319897 /nfs/dbraw/zinc/31/98/97/946319897.db2.gz SFASUMNOHZBAHC-UHFFFAOYSA-N -1 3 399.386 0.958 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823118902 946320757 /nfs/dbraw/zinc/32/07/57/946320757.db2.gz URTQXOQHLXHSFJ-UHFFFAOYSA-N -1 3 377.368 0.910 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823118902 946320767 /nfs/dbraw/zinc/32/07/67/946320767.db2.gz URTQXOQHLXHSFJ-UHFFFAOYSA-N -1 3 377.368 0.910 20 50 GCGDHM O=C(Cc1ccncc1)NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823115637 946321664 /nfs/dbraw/zinc/32/16/64/946321664.db2.gz UBXNMWFUALFABS-MRXNPFEDSA-N -1 3 392.423 0.621 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823118568 946322798 /nfs/dbraw/zinc/32/27/98/946322798.db2.gz GBJCSIRAYJDXLG-UHFFFAOYSA-N -1 3 391.395 0.588 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823118568 946322809 /nfs/dbraw/zinc/32/28/09/946322809.db2.gz GBJCSIRAYJDXLG-UHFFFAOYSA-N -1 3 391.395 0.588 20 50 GCGDHM O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)NNC(=O)c1ccccc1[O-] ZINC000823215097 946346479 /nfs/dbraw/zinc/34/64/79/946346479.db2.gz GSDIGVYGDSHOGK-UHFFFAOYSA-N -1 3 383.368 0.595 20 50 GCGDHM O=C(NCCc1ccccc1[N+](=O)[O-])NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823224343 946350560 /nfs/dbraw/zinc/35/05/60/946350560.db2.gz ZQXNPHPSBUKEMJ-UHFFFAOYSA-N -1 3 396.367 0.962 20 50 GCGDHM O=C(NCCc1ccccc1[N+](=O)[O-])NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823224343 946350571 /nfs/dbraw/zinc/35/05/71/946350571.db2.gz ZQXNPHPSBUKEMJ-UHFFFAOYSA-N -1 3 396.367 0.962 20 50 GCGDHM O=C(NN=c1nc[nH]c2ccsc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823277444 946402590 /nfs/dbraw/zinc/40/25/90/946402590.db2.gz NANQYJWHZYKVAW-UHFFFAOYSA-N -1 3 396.396 0.843 20 50 GCGDHM O=C(NN=c1nc[nH]c2ccsc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823277444 946402599 /nfs/dbraw/zinc/40/25/99/946402599.db2.gz NANQYJWHZYKVAW-UHFFFAOYSA-N -1 3 396.396 0.843 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@H](c2ccco2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277583 946403919 /nfs/dbraw/zinc/40/39/19/946403919.db2.gz QXLPFEJPKDMIIP-AWEZNQCLSA-N -1 3 383.368 0.888 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@H](c2ccco2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277583 946403928 /nfs/dbraw/zinc/40/39/28/946403928.db2.gz QXLPFEJPKDMIIP-AWEZNQCLSA-N -1 3 383.368 0.888 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccnc(N(C)C)n2)cc(-c2nnn[n-]2)n1C ZINC000826235411 947690332 /nfs/dbraw/zinc/69/03/32/947690332.db2.gz JMEIMWQGDDJZDC-QPEQYQDCSA-N -1 3 392.427 0.593 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccnc(N(C)C)n2)cc(-c2nn[n-]n2)n1C ZINC000826235411 947690342 /nfs/dbraw/zinc/69/03/42/947690342.db2.gz JMEIMWQGDDJZDC-QPEQYQDCSA-N -1 3 392.427 0.593 20 50 GCGDHM CC(=O)N(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573414095 948091276 /nfs/dbraw/zinc/09/12/76/948091276.db2.gz HHOGYEFLAOZRFS-UHFFFAOYSA-N -1 3 379.380 0.681 20 50 GCGDHM CC(=O)N(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573414095 948091285 /nfs/dbraw/zinc/09/12/85/948091285.db2.gz HHOGYEFLAOZRFS-UHFFFAOYSA-N -1 3 379.380 0.681 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1ccc2nsnc2c1 ZINC000826417312 948258940 /nfs/dbraw/zinc/25/89/40/948258940.db2.gz MHZRJMSCPLKPSZ-UHFFFAOYSA-N -1 3 396.392 0.711 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1ccnc(C2CC2)c1 ZINC000826417103 948259235 /nfs/dbraw/zinc/25/92/35/948259235.db2.gz DMNCGLFEIVRJKA-UHFFFAOYSA-N -1 3 379.380 0.979 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@H]1CCCOCC1 ZINC000826419038 948260282 /nfs/dbraw/zinc/26/02/82/948260282.db2.gz GXAKDGUOHMDVDX-NSHDSACASA-N -1 3 375.389 0.145 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@H]1CCCOCC1 ZINC000826419038 948260291 /nfs/dbraw/zinc/26/02/91/948260291.db2.gz GXAKDGUOHMDVDX-NSHDSACASA-N -1 3 375.389 0.145 20 50 GCGDHM O=C(NC[C@H]1CCCn2ccnc21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435142 948289498 /nfs/dbraw/zinc/28/94/98/948289498.db2.gz HPKIFKSFVMWLPJ-CYBMUJFWSA-N -1 3 381.400 0.585 20 50 GCGDHM O=C(NC[C@H]1CCCn2ccnc21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435142 948289505 /nfs/dbraw/zinc/28/95/05/948289505.db2.gz HPKIFKSFVMWLPJ-CYBMUJFWSA-N -1 3 381.400 0.585 20 50 GCGDHM O=S(=O)(CBr)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826484111 948400468 /nfs/dbraw/zinc/40/04/68/948400468.db2.gz NXXQGLJLNLCIEN-LLVKDONJSA-N -1 3 388.247 0.922 20 50 GCGDHM O=S(=O)(CBr)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826484111 948400473 /nfs/dbraw/zinc/40/04/73/948400473.db2.gz NXXQGLJLNLCIEN-LLVKDONJSA-N -1 3 388.247 0.922 20 50 GCGDHM C[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc(O)c1 ZINC001573729118 948564875 /nfs/dbraw/zinc/56/48/75/948564875.db2.gz HCOGKNURUWOAGS-LLVKDONJSA-N -1 3 382.380 0.902 20 50 GCGDHM CNS(=O)(=O)c1ccc(C)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826090941 607335464 /nfs/dbraw/zinc/33/54/64/607335464.db2.gz RHBZDDYYYCJCNX-UHFFFAOYSA-N -1 3 387.425 0.840 20 50 GCGDHM CNS(=O)(=O)c1ccc(C)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826090941 607335466 /nfs/dbraw/zinc/33/54/66/607335466.db2.gz RHBZDDYYYCJCNX-UHFFFAOYSA-N -1 3 387.425 0.840 20 50 GCGDHM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000824937677 607335482 /nfs/dbraw/zinc/33/54/82/607335482.db2.gz QMUNTWNQDPABAM-BBATYDOGSA-N -1 3 398.427 0.811 20 50 GCGDHM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000824937677 607335483 /nfs/dbraw/zinc/33/54/83/607335483.db2.gz QMUNTWNQDPABAM-BBATYDOGSA-N -1 3 398.427 0.811 20 50 GCGDHM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000824937681 607335493 /nfs/dbraw/zinc/33/54/93/607335493.db2.gz QMUNTWNQDPABAM-ZMZPIMSZSA-N -1 3 398.427 0.811 20 50 GCGDHM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000824937681 607335495 /nfs/dbraw/zinc/33/54/95/607335495.db2.gz QMUNTWNQDPABAM-ZMZPIMSZSA-N -1 3 398.427 0.811 20 50 GCGDHM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000824937680 607335677 /nfs/dbraw/zinc/33/56/77/607335677.db2.gz QMUNTWNQDPABAM-VOJFVSQTSA-N -1 3 398.427 0.811 20 50 GCGDHM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000824937680 607335678 /nfs/dbraw/zinc/33/56/78/607335678.db2.gz QMUNTWNQDPABAM-VOJFVSQTSA-N -1 3 398.427 0.811 20 50 GCGDHM C[C@H]1NC(C(=O)NNc2cccc(-c3nnn[n-]3)c2)=NN(c2ccccc2)C1=O ZINC000825013320 607335834 /nfs/dbraw/zinc/33/58/34/607335834.db2.gz PAABJKPMJRSFLZ-LLVKDONJSA-N -1 3 391.395 0.648 20 50 GCGDHM C[C@H]1NC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)=NN(c2ccccc2)C1=O ZINC000825013320 607335835 /nfs/dbraw/zinc/33/58/35/607335835.db2.gz PAABJKPMJRSFLZ-LLVKDONJSA-N -1 3 391.395 0.648 20 50 GCGDHM CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824108649 607336606 /nfs/dbraw/zinc/33/66/06/607336606.db2.gz HTFZDAJARRZALA-ZDUSSCGKSA-N -1 3 389.416 0.946 20 50 GCGDHM CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824108649 607336608 /nfs/dbraw/zinc/33/66/08/607336608.db2.gz HTFZDAJARRZALA-ZDUSSCGKSA-N -1 3 389.416 0.946 20 50 GCGDHM NS(=O)(=O)c1ccc(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826394581 607341065 /nfs/dbraw/zinc/34/10/65/607341065.db2.gz PISVDLZKCQYGJG-UHFFFAOYSA-N -1 3 387.425 0.590 20 50 GCGDHM Cn1ccnc1[C@](O)(CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000826364284 607342288 /nfs/dbraw/zinc/34/22/88/607342288.db2.gz QNQPTQQGYBOXBB-CQSZACIVSA-N -1 3 396.333 0.884 20 50 GCGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc(S(N)(=O)=O)c1C ZINC000826259914 607342910 /nfs/dbraw/zinc/34/29/10/607342910.db2.gz MGZBFRHSJKXARU-UHFFFAOYSA-N -1 3 387.425 0.888 20 50 GCGDHM O=C(CN1CCN(c2ccccn2)CC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826411434 607345853 /nfs/dbraw/zinc/34/58/53/607345853.db2.gz XXPPPJSNIHAVAN-UHFFFAOYSA-N -1 3 379.428 0.527 20 50 GCGDHM CCn1c2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2[nH]c(=O)c1=O ZINC000825782831 607346514 /nfs/dbraw/zinc/34/65/14/607346514.db2.gz RDRMINSAIASICU-UHFFFAOYSA-N -1 3 392.379 0.647 20 50 GCGDHM Cc1nc2ncnn2c(C)c1CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826328867 607353031 /nfs/dbraw/zinc/35/30/31/607353031.db2.gz HUQLHXNKZJLYEA-UHFFFAOYSA-N -1 3 378.400 0.997 20 50 GCGDHM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000824936149 607355001 /nfs/dbraw/zinc/35/50/01/607355001.db2.gz FCSOSXPUQUDEID-ZMZPIMSZSA-N -1 3 398.427 0.811 20 50 GCGDHM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000824936143 607354835 /nfs/dbraw/zinc/35/48/35/607354835.db2.gz FCSOSXPUQUDEID-ADLMAVQZSA-N -1 3 398.427 0.811 20 50 GCGDHM CS(=O)(=O)c1ccc(NNC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826223816 607357552 /nfs/dbraw/zinc/35/75/52/607357552.db2.gz BERKAEYESCKDKX-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM CS(=O)(=O)c1ccc(NNC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826223816 607357554 /nfs/dbraw/zinc/35/75/54/607357554.db2.gz BERKAEYESCKDKX-UHFFFAOYSA-N -1 3 388.409 0.792 20 50 GCGDHM N#Cc1ncn(CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826388019 607395108 /nfs/dbraw/zinc/39/51/08/607395108.db2.gz FEHUUOHURUVDOI-UHFFFAOYSA-N -1 3 378.278 0.492 20 50 GCGDHM N#Cc1ncn(CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826388019 607395110 /nfs/dbraw/zinc/39/51/10/607395110.db2.gz FEHUUOHURUVDOI-UHFFFAOYSA-N -1 3 378.278 0.492 20 50 GCGDHM C[C@H](O)c1cn(CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nn1 ZINC000824706843 607396010 /nfs/dbraw/zinc/39/60/10/607396010.db2.gz KDFOGMUANMYCJQ-ZETCQYMHSA-N -1 3 397.321 0.674 20 50 GCGDHM C[C@H](O)c1cn(CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nn1 ZINC000824706843 607396011 /nfs/dbraw/zinc/39/60/11/607396011.db2.gz KDFOGMUANMYCJQ-ZETCQYMHSA-N -1 3 397.321 0.674 20 50 GCGDHM CSCCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826228913 607783256 /nfs/dbraw/zinc/78/32/56/607783256.db2.gz GKJRLSMTSBYMSO-SECBINFHSA-N -1 3 381.487 0.492 20 50 GCGDHM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824109371 607462593 /nfs/dbraw/zinc/46/25/93/607462593.db2.gz OEISCEXCBAPQDW-NSHDSACASA-N -1 3 390.404 0.079 20 50 GCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)Cn1cnc2ccccc21 ZINC000826249699 607648162 /nfs/dbraw/zinc/64/81/62/607648162.db2.gz PCFQIPTWNYTFDP-UHFFFAOYSA-N -1 3 376.380 0.986 20 50 GCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)Cn1cnc2ccccc21 ZINC000826249699 607648164 /nfs/dbraw/zinc/64/81/64/607648164.db2.gz PCFQIPTWNYTFDP-UHFFFAOYSA-N -1 3 376.380 0.986 20 50 GCGDHM CCOC(=O)C1(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000825492403 607682275 /nfs/dbraw/zinc/68/22/75/607682275.db2.gz FLQSSCVUDKUYFJ-UHFFFAOYSA-N -1 3 388.384 0.126 20 50 GCGDHM COc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1OCC(N)=O ZINC000826177684 607715095 /nfs/dbraw/zinc/71/50/95/607715095.db2.gz QVEMGIQORNIQJP-UHFFFAOYSA-N -1 3 383.368 0.496 20 50 GCGDHM COc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1OCC(N)=O ZINC000826177684 607715097 /nfs/dbraw/zinc/71/50/97/607715097.db2.gz QVEMGIQORNIQJP-UHFFFAOYSA-N -1 3 383.368 0.496 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000826479214 607714685 /nfs/dbraw/zinc/71/46/85/607714685.db2.gz SXZSTPPVKFPPNU-AWEZNQCLSA-N -1 3 391.391 0.829 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000826479214 607714687 /nfs/dbraw/zinc/71/46/87/607714687.db2.gz SXZSTPPVKFPPNU-AWEZNQCLSA-N -1 3 391.391 0.829 20 50 GCGDHM O=C(CCNS(=O)(=O)c1cccs1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407886 607717671 /nfs/dbraw/zinc/71/76/71/607717671.db2.gz GHHFGDIQYHGVQE-UHFFFAOYSA-N -1 3 393.454 0.740 20 50 GCGDHM CCn1c2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2[nH]c(=O)c1=O ZINC000825782729 607722699 /nfs/dbraw/zinc/72/26/99/607722699.db2.gz NGKRNPWIAYHHNY-UHFFFAOYSA-N -1 3 392.379 0.647 20 50 GCGDHM CCn1c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2[nH]c(=O)c1=O ZINC000825782729 607722701 /nfs/dbraw/zinc/72/27/01/607722701.db2.gz NGKRNPWIAYHHNY-UHFFFAOYSA-N -1 3 392.379 0.647 20 50 GCGDHM Cn1cc([C@H]2[C@@H](C(=O)NNc3cccc(-c4nnn[n-]4)c3)CCC(=O)N2C)cn1 ZINC000826011086 607727706 /nfs/dbraw/zinc/72/77/06/607727706.db2.gz WMTWQFPLFXHGKP-HOCLYGCPSA-N -1 3 395.427 0.653 20 50 GCGDHM Cn1cc([C@H]2[C@@H](C(=O)NNc3cccc(-c4nn[n-]n4)c3)CCC(=O)N2C)cn1 ZINC000826011086 607727708 /nfs/dbraw/zinc/72/77/08/607727708.db2.gz WMTWQFPLFXHGKP-HOCLYGCPSA-N -1 3 395.427 0.653 20 50 GCGDHM CCNS(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825476638 607727741 /nfs/dbraw/zinc/72/77/41/607727741.db2.gz QDFNBACXYOPRAS-UHFFFAOYSA-N -1 3 387.425 0.922 20 50 GCGDHM CCNS(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825476638 607727742 /nfs/dbraw/zinc/72/77/42/607727742.db2.gz QDFNBACXYOPRAS-UHFFFAOYSA-N -1 3 387.425 0.922 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000826447457 607728327 /nfs/dbraw/zinc/72/83/27/607728327.db2.gz GMJKDOHTUDDBNK-OAHLLOKOSA-N -1 3 376.384 0.780 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000826447457 607728330 /nfs/dbraw/zinc/72/83/30/607728330.db2.gz GMJKDOHTUDDBNK-OAHLLOKOSA-N -1 3 376.384 0.780 20 50 GCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000823280985 606127595 /nfs/dbraw/zinc/12/75/95/606127595.db2.gz KTJIDEPUCDTKKJ-SSDOTTSWSA-N -1 3 390.347 0.763 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000823280985 606127597 /nfs/dbraw/zinc/12/75/97/606127597.db2.gz KTJIDEPUCDTKKJ-SSDOTTSWSA-N -1 3 390.347 0.763 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000823281008 606163813 /nfs/dbraw/zinc/16/38/13/606163813.db2.gz LLLHXSPWVGRPNW-AWEZNQCLSA-N -1 3 386.416 0.273 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000823281008 606163814 /nfs/dbraw/zinc/16/38/14/606163814.db2.gz LLLHXSPWVGRPNW-AWEZNQCLSA-N -1 3 386.416 0.273 20 50 GCGDHM O=C(NNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277558 607052100 /nfs/dbraw/zinc/05/21/00/607052100.db2.gz PVCFXARVCLVSNA-RDTXWAMCSA-N -1 3 385.428 0.848 20 50 GCGDHM O=C(NNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277558 607052102 /nfs/dbraw/zinc/05/21/02/607052102.db2.gz PVCFXARVCLVSNA-RDTXWAMCSA-N -1 3 385.428 0.848 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2cnc(N(C)C)nc2)cc(-c2nn[n-]n2)n1C ZINC000826235502 607775276 /nfs/dbraw/zinc/77/52/76/607775276.db2.gz KZIBREDBMKWAOT-XGICHPGQSA-N -1 3 378.400 0.915 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826445432 607793602 /nfs/dbraw/zinc/79/36/02/607793602.db2.gz UKTAAGLDCXWGID-CQSZACIVSA-N -1 3 393.411 0.485 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826445432 607793603 /nfs/dbraw/zinc/79/36/03/607793603.db2.gz UKTAAGLDCXWGID-CQSZACIVSA-N -1 3 393.411 0.485 20 50 GCGDHM CN(C)S(=O)(=O)c1cccc(C(=O)NN=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000825875365 607882745 /nfs/dbraw/zinc/88/27/45/607882745.db2.gz MSMYHBKBNLHCHG-UHFFFAOYSA-N -1 3 399.436 0.881 20 50 GCGDHM CN(C)S(=O)(=O)c1cccc(C(=O)NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000825875365 607882746 /nfs/dbraw/zinc/88/27/46/607882746.db2.gz MSMYHBKBNLHCHG-UHFFFAOYSA-N -1 3 399.436 0.881 20 50 GCGDHM O=C(Cc1csc(N2CCOCC2)n1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826423678 607885721 /nfs/dbraw/zinc/88/57/21/607885721.db2.gz ARWDAOLRPRTDCY-UHFFFAOYSA-N -1 3 398.452 0.853 20 50 GCGDHM O=C(Cc1csc(N2CCOCC2)n1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826423678 607885722 /nfs/dbraw/zinc/88/57/22/607885722.db2.gz ARWDAOLRPRTDCY-UHFFFAOYSA-N -1 3 398.452 0.853 20 50 GCGDHM O=C(NNC(=O)c1cccc(-n2ccnn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826445548 607894187 /nfs/dbraw/zinc/89/41/87/607894187.db2.gz YJSGKMVPBKXWSJ-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(-n2ccnn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445548 607894188 /nfs/dbraw/zinc/89/41/88/607894188.db2.gz YJSGKMVPBKXWSJ-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM CN(C)S(=O)(=O)c1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)co1 ZINC000825875338 607909355 /nfs/dbraw/zinc/90/93/55/607909355.db2.gz LHCWJWBGSGUQNU-UHFFFAOYSA-N -1 3 377.386 0.467 20 50 GCGDHM O=C(NCCc1cnc(C2CC2)nc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826439589 607912148 /nfs/dbraw/zinc/91/21/48/607912148.db2.gz AUHHNOAXLGFORS-UHFFFAOYSA-N -1 3 393.411 0.721 20 50 GCGDHM O=C(NCCc1cnc(C2CC2)nc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826439589 607912149 /nfs/dbraw/zinc/91/21/49/607912149.db2.gz AUHHNOAXLGFORS-UHFFFAOYSA-N -1 3 393.411 0.721 20 50 GCGDHM O=C(CN1CCOC[C@H]1c1ccco1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411259 607923846 /nfs/dbraw/zinc/92/38/46/607923846.db2.gz RDHXDWNPFAWYQK-AWEZNQCLSA-N -1 3 397.395 0.294 20 50 GCGDHM O=C(CN1CCOC[C@H]1c1ccco1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411259 607923847 /nfs/dbraw/zinc/92/38/47/607923847.db2.gz RDHXDWNPFAWYQK-AWEZNQCLSA-N -1 3 397.395 0.294 20 50 GCGDHM O=C(CN(CCCO)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409911 607924664 /nfs/dbraw/zinc/92/46/64/607924664.db2.gz TZBSXUCHSGGGMX-UHFFFAOYSA-N -1 3 395.423 0.517 20 50 GCGDHM O=C(CN(CCCO)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409911 607924665 /nfs/dbraw/zinc/92/46/65/607924665.db2.gz TZBSXUCHSGGGMX-UHFFFAOYSA-N -1 3 395.423 0.517 20 50 GCGDHM CC(C)CSCCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824275546 607927553 /nfs/dbraw/zinc/92/75/53/607927553.db2.gz WFBFGXIPKIXHTI-UHFFFAOYSA-N -1 3 393.473 0.965 20 50 GCGDHM CC(C)CSCCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824275546 607927554 /nfs/dbraw/zinc/92/75/54/607927554.db2.gz WFBFGXIPKIXHTI-UHFFFAOYSA-N -1 3 393.473 0.965 20 50 GCGDHM O=C(CN1CC=C(C(F)(F)F)CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826409875 607942402 /nfs/dbraw/zinc/94/24/02/607942402.db2.gz SCNBVRJLBPFCIR-UHFFFAOYSA-N -1 3 395.345 0.822 20 50 GCGDHM O=C(CN1CC=C(C(F)(F)F)CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826409875 607942403 /nfs/dbraw/zinc/94/24/03/607942403.db2.gz SCNBVRJLBPFCIR-UHFFFAOYSA-N -1 3 395.345 0.822 20 50 GCGDHM Cc1cc(O)ccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826271984 607976595 /nfs/dbraw/zinc/97/65/95/607976595.db2.gz PWTILJGXMIXAPX-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM O=C(NNC(=O)c1ccnc(OCC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445137 607980873 /nfs/dbraw/zinc/98/08/73/607980873.db2.gz IGQUAFIMHPEWJA-UHFFFAOYSA-N -1 3 389.322 0.980 20 50 GCGDHM COCC1(O)CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000826152626 608008018 /nfs/dbraw/zinc/00/80/18/608008018.db2.gz HSTSLAQZBNAYMQ-ZSOIEALJSA-N -1 3 385.428 0.421 20 50 GCGDHM COCC1(O)CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000826152626 608008019 /nfs/dbraw/zinc/00/80/19/608008019.db2.gz HSTSLAQZBNAYMQ-ZSOIEALJSA-N -1 3 385.428 0.421 20 50 GCGDHM CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825499378 608022782 /nfs/dbraw/zinc/02/27/82/608022782.db2.gz LWNOZDZEXYCIQT-SNVBAGLBSA-N -1 3 375.389 0.400 20 50 GCGDHM CCOC(=O)C[C@@H](C)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825499378 608022783 /nfs/dbraw/zinc/02/27/83/608022783.db2.gz LWNOZDZEXYCIQT-SNVBAGLBSA-N -1 3 375.389 0.400 20 50 GCGDHM O=C([N-]NC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccnc1OCC(F)F ZINC000826445306 608027563 /nfs/dbraw/zinc/02/75/63/608027563.db2.gz OQIOWBPUEBOVCK-UHFFFAOYSA-N -1 3 389.322 0.980 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)OCc1ccccc1 ZINC000825891992 608063454 /nfs/dbraw/zinc/06/34/54/608063454.db2.gz ANFFBSQJLUZJDQ-UHFFFAOYSA-N -1 3 381.396 0.691 20 50 GCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)OCc1ccccc1 ZINC000825891992 608063455 /nfs/dbraw/zinc/06/34/55/608063455.db2.gz ANFFBSQJLUZJDQ-UHFFFAOYSA-N -1 3 381.396 0.691 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1cccnc1C1CC1 ZINC000826417335 608143804 /nfs/dbraw/zinc/14/38/04/608143804.db2.gz NGSHBPDWSQFLEN-UHFFFAOYSA-N -1 3 379.380 0.979 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCc1noc(C2CC2)n1 ZINC000826419106 608171533 /nfs/dbraw/zinc/17/15/33/608171533.db2.gz JGYWOUPSXOXKDX-UHFFFAOYSA-N -1 3 399.371 0.037 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCc1noc(C2CC2)n1 ZINC000826419106 608171534 /nfs/dbraw/zinc/17/15/34/608171534.db2.gz JGYWOUPSXOXKDX-UHFFFAOYSA-N -1 3 399.371 0.037 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H](O)CCc1ccccc1 ZINC000826417422 608182851 /nfs/dbraw/zinc/18/28/51/608182851.db2.gz QNIKDLVLZSCXDO-INIZCTEOSA-N -1 3 396.407 0.387 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826235588 608203124 /nfs/dbraw/zinc/20/31/24/608203124.db2.gz MPJOWDZRXXMRQP-YIYQULGUSA-N -1 3 397.439 0.875 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235588 608203126 /nfs/dbraw/zinc/20/31/26/608203126.db2.gz MPJOWDZRXXMRQP-YIYQULGUSA-N -1 3 397.439 0.875 20 50 GCGDHM CN(C)c1cccc(C(=O)NNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000825879719 608215700 /nfs/dbraw/zinc/21/57/00/608215700.db2.gz PMFSJRTXTKIMKT-UHFFFAOYSA-N -1 3 381.400 0.201 20 50 GCGDHM CN(C)c1cccc(C(=O)NNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000825879719 608215701 /nfs/dbraw/zinc/21/57/01/608215701.db2.gz PMFSJRTXTKIMKT-UHFFFAOYSA-N -1 3 381.400 0.201 20 50 GCGDHM O=C(NC[C@@H]1COC2(CCCC2)O1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826435824 608321466 /nfs/dbraw/zinc/32/14/66/608321466.db2.gz YNFDOVVKADDXFU-CYBMUJFWSA-N -1 3 387.400 0.496 20 50 GCGDHM O=C(NC[C@@H]1COC2(CCCC2)O1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826435824 608321468 /nfs/dbraw/zinc/32/14/68/608321468.db2.gz YNFDOVVKADDXFU-CYBMUJFWSA-N -1 3 387.400 0.496 20 50 GCGDHM COC(=O)[C@@H](C)n1cccc1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826104468 608388124 /nfs/dbraw/zinc/38/81/24/608388124.db2.gz XBOHJLLNNJCYOE-GFCCVEGCSA-N -1 3 397.395 0.931 20 50 GCGDHM O=C(CN1CCc2cc(F)ccc2C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826411704 608594236 /nfs/dbraw/zinc/59/42/36/608594236.db2.gz JPTADHAJICOMCC-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM O=C(CN1CCc2cc(F)ccc2C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826411704 608594237 /nfs/dbraw/zinc/59/42/37/608594237.db2.gz JPTADHAJICOMCC-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM CSCCNC(=S)NNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826229037 608764586 /nfs/dbraw/zinc/76/45/86/608764586.db2.gz MJQZQKTVXXENSG-SECBINFHSA-N -1 3 381.487 0.492 20 50 GCGDHM CSCCNC(=S)NNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826229037 608764587 /nfs/dbraw/zinc/76/45/87/608764587.db2.gz MJQZQKTVXXENSG-SECBINFHSA-N -1 3 381.487 0.492 20 50 GCGDHM CSCCNC(=S)NNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826229091 608828139 /nfs/dbraw/zinc/82/81/39/608828139.db2.gz OKTCVJQVSMGFHO-UHFFFAOYSA-N -1 3 395.514 0.882 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCNC(=O)N(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235104 608863889 /nfs/dbraw/zinc/86/38/89/608863889.db2.gz BOSPOERHTAUZFR-MDWZMJQESA-N -1 3 385.432 0.150 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCNC(=O)N(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235104 608863892 /nfs/dbraw/zinc/86/38/92/608863892.db2.gz BOSPOERHTAUZFR-MDWZMJQESA-N -1 3 385.432 0.150 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000824499090 609192088 /nfs/dbraw/zinc/19/20/88/609192088.db2.gz NNNCIOPUYDGUFV-NEPJUHHUSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000824499090 609192089 /nfs/dbraw/zinc/19/20/89/609192089.db2.gz NNNCIOPUYDGUFV-NEPJUHHUSA-N -1 3 389.416 0.391 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCC[C@@H]1CCCCO1 ZINC000826418927 609211511 /nfs/dbraw/zinc/21/15/11/609211511.db2.gz BROSQJTXUWDUMB-LBPRGKRZSA-N -1 3 389.416 0.535 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCC[C@@H]1CCCCO1 ZINC000826418927 609211512 /nfs/dbraw/zinc/21/15/12/609211512.db2.gz BROSQJTXUWDUMB-LBPRGKRZSA-N -1 3 389.416 0.535 20 50 GCGDHM O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444761 609217324 /nfs/dbraw/zinc/21/73/24/609217324.db2.gz SRNGMVQZVBPLFI-GJZGRUSLSA-N -1 3 380.364 0.051 20 50 GCGDHM O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444761 609217325 /nfs/dbraw/zinc/21/73/25/609217325.db2.gz SRNGMVQZVBPLFI-GJZGRUSLSA-N -1 3 380.364 0.051 20 50 GCGDHM O=C(NNC(=O)[C@H]1Cc2ccccc2O1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444762 609217482 /nfs/dbraw/zinc/21/74/82/609217482.db2.gz SRNGMVQZVBPLFI-HUUCEWRRSA-N -1 3 380.364 0.051 20 50 GCGDHM O=C(NNC(=O)[C@H]1Cc2ccccc2O1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444762 609217484 /nfs/dbraw/zinc/21/74/84/609217484.db2.gz SRNGMVQZVBPLFI-HUUCEWRRSA-N -1 3 380.364 0.051 20 50 GCGDHM N#CCc1ccccc1CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826382542 609231861 /nfs/dbraw/zinc/23/18/61/609231861.db2.gz JDEHTUKSEMYQCN-UHFFFAOYSA-N -1 3 391.391 0.702 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)Nc2nnc3n2CCCC3)cc(-c2nn[n-]n2)n1C ZINC000826236017 609264471 /nfs/dbraw/zinc/26/44/71/609264471.db2.gz WQUQBBFGMXXYHC-KPKJPENVSA-N -1 3 378.400 0.987 20 50 GCGDHM CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948204 609276577 /nfs/dbraw/zinc/27/65/77/609276577.db2.gz HCXDSPBBBWUBSS-UHFFFAOYSA-N -1 3 382.359 0.671 20 50 GCGDHM CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948204 609276579 /nfs/dbraw/zinc/27/65/79/609276579.db2.gz HCXDSPBBBWUBSS-UHFFFAOYSA-N -1 3 382.359 0.671 20 50 GCGDHM O=C(NC[C@H]1COC2(CCOCC2)O1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826435853 609285246 /nfs/dbraw/zinc/28/52/46/609285246.db2.gz ZHTIUYBRULXOSZ-ZDUSSCGKSA-N -1 3 375.389 0.415 20 50 GCGDHM O=C(NC[C@H]1COC2(CCOCC2)O1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826435853 609285248 /nfs/dbraw/zinc/28/52/48/609285248.db2.gz ZHTIUYBRULXOSZ-ZDUSSCGKSA-N -1 3 375.389 0.415 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H](OC(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444885 609322733 /nfs/dbraw/zinc/32/27/33/609322733.db2.gz YGXYJGQAOMQQLO-LLVKDONJSA-N -1 3 381.343 0.925 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H](OC(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444885 609322735 /nfs/dbraw/zinc/32/27/35/609322735.db2.gz YGXYJGQAOMQQLO-LLVKDONJSA-N -1 3 381.343 0.925 20 50 GCGDHM CC[C@H]1C[C@H](CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825182002 609373363 /nfs/dbraw/zinc/37/33/63/609373363.db2.gz HDXHPZJTDQIVOR-OCCSQVGLSA-N -1 3 388.428 0.988 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H]2CCS(=O)(=O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235338 609389141 /nfs/dbraw/zinc/38/91/41/609389141.db2.gz HUYRSMJXSGAYHD-CBJCJLNRSA-N -1 3 390.425 0.399 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H]2CCS(=O)(=O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235338 609389144 /nfs/dbraw/zinc/38/91/44/609389144.db2.gz HUYRSMJXSGAYHD-CBJCJLNRSA-N -1 3 390.425 0.399 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000824109584 609436496 /nfs/dbraw/zinc/43/64/96/609436496.db2.gz RXKCZZFYXXHWAL-UHFFFAOYSA-N -1 3 390.404 0.222 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000824109584 609436498 /nfs/dbraw/zinc/43/64/98/609436498.db2.gz RXKCZZFYXXHWAL-UHFFFAOYSA-N -1 3 390.404 0.222 20 50 GCGDHM COc1ccccc1[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826218756 609444585 /nfs/dbraw/zinc/44/45/85/609444585.db2.gz KGYHUBDUIKDIPW-AWEZNQCLSA-N -1 3 397.395 0.553 20 50 GCGDHM COc1ccccc1[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826218756 609444587 /nfs/dbraw/zinc/44/45/87/609444587.db2.gz KGYHUBDUIKDIPW-AWEZNQCLSA-N -1 3 397.395 0.553 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)c1cccc(F)c1 ZINC000826445441 609445372 /nfs/dbraw/zinc/44/53/72/609445372.db2.gz UURFQOISHZZOFU-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)c1cccc(F)c1 ZINC000826445441 609445374 /nfs/dbraw/zinc/44/53/74/609445374.db2.gz UURFQOISHZZOFU-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM Cn1cnc(-c2ccc(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000826364693 609545788 /nfs/dbraw/zinc/54/57/88/609545788.db2.gz GRDJHDMEPBVOJM-UHFFFAOYSA-N -1 3 389.379 0.737 20 50 GCGDHM Cn1cnc(-c2ccc(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000826364693 609545789 /nfs/dbraw/zinc/54/57/89/609545789.db2.gz GRDJHDMEPBVOJM-UHFFFAOYSA-N -1 3 389.379 0.737 20 50 GCGDHM Cc1cccnc1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737433654 945063692 /nfs/dbraw/zinc/06/36/92/945063692.db2.gz HNNFKULHEWFHKK-UHFFFAOYSA-N -1 3 382.384 0.480 20 50 GCGDHM Cc1cccn2cc(CC(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)nc12 ZINC000737432568 945065457 /nfs/dbraw/zinc/06/54/57/945065457.db2.gz AWPJDJSDOIXKBO-UHFFFAOYSA-N -1 3 376.380 0.827 20 50 GCGDHM Cc1cccn2cc(CC(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)nc12 ZINC000737432568 945065466 /nfs/dbraw/zinc/06/54/66/945065466.db2.gz AWPJDJSDOIXKBO-UHFFFAOYSA-N -1 3 376.380 0.827 20 50 GCGDHM Cc1ccn2c(c1)ncc(C(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)c2=O ZINC000737437753 945067457 /nfs/dbraw/zinc/06/74/57/945067457.db2.gz WVKBOPIXUWZONP-UHFFFAOYSA-N -1 3 390.363 0.258 20 50 GCGDHM Cc1ccn2c(c1)ncc(C(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)c2=O ZINC000737437753 945067470 /nfs/dbraw/zinc/06/74/70/945067470.db2.gz WVKBOPIXUWZONP-UHFFFAOYSA-N -1 3 390.363 0.258 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737511363 945086113 /nfs/dbraw/zinc/08/61/13/945086113.db2.gz RLVPOBWRBUBUSZ-JTQLQIEISA-N -1 3 382.428 0.857 20 50 GCGDHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737511363 945086122 /nfs/dbraw/zinc/08/61/22/945086122.db2.gz RLVPOBWRBUBUSZ-JTQLQIEISA-N -1 3 382.428 0.857 20 50 GCGDHM Cc1nn(CCCl)c(C)c1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737513917 945088782 /nfs/dbraw/zinc/08/87/82/945088782.db2.gz YQYJEWOLLNEHCM-UHFFFAOYSA-N -1 3 388.819 0.994 20 50 GCGDHM Cc1noc([C@@H](C)NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)n1 ZINC000737534030 945092763 /nfs/dbraw/zinc/09/27/63/945092763.db2.gz NTEZTDNGKJPZHK-MRVPVSSYSA-N -1 3 387.360 0.029 20 50 GCGDHM Cc1noc([C@@H](C)NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)n1 ZINC000737534030 945092776 /nfs/dbraw/zinc/09/27/76/945092776.db2.gz NTEZTDNGKJPZHK-MRVPVSSYSA-N -1 3 387.360 0.029 20 50 GCGDHM Cn1cc(C(=O)NN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000737602096 945100436 /nfs/dbraw/zinc/10/04/36/945100436.db2.gz HCHQOPUSXVOKKV-INIZCTEOSA-N -1 3 390.407 0.819 20 50 GCGDHM Cn1cc(C(=O)NN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000737602096 945100440 /nfs/dbraw/zinc/10/04/40/945100440.db2.gz HCHQOPUSXVOKKV-INIZCTEOSA-N -1 3 390.407 0.819 20 50 GCGDHM Cn1cc([C@@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000737606469 945102007 /nfs/dbraw/zinc/10/20/07/945102007.db2.gz SBONCXYWJOLYLD-CYBMUJFWSA-N -1 3 381.400 0.444 20 50 GCGDHM Cn1cc([C@@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000737606469 945102013 /nfs/dbraw/zinc/10/20/13/945102013.db2.gz SBONCXYWJOLYLD-CYBMUJFWSA-N -1 3 381.400 0.444 20 50 GCGDHM Cn1nnc2cc(C=NNC(=O)COc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000737627970 945104313 /nfs/dbraw/zinc/10/43/13/945104313.db2.gz SNMBVPARDQYPSM-UHFFFAOYSA-N -1 3 377.368 0.678 20 50 GCGDHM Cn1nnc2cc(C=NNC(=O)COc3ccccc3-c3nnn[n-]3)ccc21 ZINC000737628420 945104661 /nfs/dbraw/zinc/10/46/61/945104661.db2.gz VNTLZEFIYSQZBK-UHFFFAOYSA-N -1 3 377.368 0.678 20 50 GCGDHM Cn1nnc2cc(C=NNC(=O)COc3ccccc3-c3nn[n-]n3)ccc21 ZINC000737628420 945104665 /nfs/dbraw/zinc/10/46/65/945104665.db2.gz VNTLZEFIYSQZBK-UHFFFAOYSA-N -1 3 377.368 0.678 20 50 GCGDHM NC(=O)c1cccc(CCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737760732 945121847 /nfs/dbraw/zinc/12/18/47/945121847.db2.gz KXXDKDLAZLFPND-UHFFFAOYSA-N -1 3 394.395 0.152 20 50 GCGDHM NC(=O)c1cccc(CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737760732 945121852 /nfs/dbraw/zinc/12/18/52/945121852.db2.gz KXXDKDLAZLFPND-UHFFFAOYSA-N -1 3 394.395 0.152 20 50 GCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNC(=O)C2CCCC2)cc1 ZINC000737777261 945124428 /nfs/dbraw/zinc/12/44/28/945124428.db2.gz RRHJLUQWECELSI-UHFFFAOYSA-N -1 3 381.400 0.586 20 50 GCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNC(=O)C2CCCC2)cc1 ZINC000737777261 945124434 /nfs/dbraw/zinc/12/44/34/945124434.db2.gz RRHJLUQWECELSI-UHFFFAOYSA-N -1 3 381.400 0.586 20 50 GCGDHM O=C(CCNC(=O)c1ccsc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737847928 945136749 /nfs/dbraw/zinc/13/67/49/945136749.db2.gz VLFQBCXUJJPWHH-UHFFFAOYSA-N -1 3 385.409 0.509 20 50 GCGDHM O=C(CCNC(=O)c1ccsc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737847928 945136756 /nfs/dbraw/zinc/13/67/56/945136756.db2.gz VLFQBCXUJJPWHH-UHFFFAOYSA-N -1 3 385.409 0.509 20 50 GCGDHM O=C(CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)NNC(=O)C1CC1 ZINC000737876677 945142915 /nfs/dbraw/zinc/14/29/15/945142915.db2.gz SFIYCETUCCTGSS-UHFFFAOYSA-N -1 3 385.428 0.267 20 50 GCGDHM O=C(CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)NNC(=O)C1CC1 ZINC000737876677 945142921 /nfs/dbraw/zinc/14/29/21/945142921.db2.gz SFIYCETUCCTGSS-UHFFFAOYSA-N -1 3 385.428 0.267 20 50 GCGDHM O=C(CCc1ccco1)NNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737860301 945141515 /nfs/dbraw/zinc/14/15/15/945141515.db2.gz GNUGDNPVLVBDQG-UHFFFAOYSA-N -1 3 384.356 0.068 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000737918482 945152263 /nfs/dbraw/zinc/15/22/63/945152263.db2.gz GZAUKPXJKNBRFW-UHFFFAOYSA-N -1 3 397.351 0.544 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NOCc1ccccc1 ZINC000737918801 945152349 /nfs/dbraw/zinc/15/23/49/945152349.db2.gz LZWDRPKRYOMEAH-UHFFFAOYSA-N -1 3 383.368 0.708 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCC1CCSCC1 ZINC000737928773 945157205 /nfs/dbraw/zinc/15/72/05/945157205.db2.gz DJOHIWIYFBFOCZ-UHFFFAOYSA-N -1 3 391.457 0.719 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCC1CCSCC1 ZINC000737928773 945157210 /nfs/dbraw/zinc/15/72/10/945157210.db2.gz DJOHIWIYFBFOCZ-UHFFFAOYSA-N -1 3 391.457 0.719 20 50 GCGDHM O=C(COc1ccccc1O)NNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737930612 945157866 /nfs/dbraw/zinc/15/78/66/945157866.db2.gz REIXYHYUILJEKF-UHFFFAOYSA-N -1 3 383.368 0.482 20 50 GCGDHM O=C(COc1ccccc1O)NNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737930612 945157875 /nfs/dbraw/zinc/15/78/75/945157875.db2.gz REIXYHYUILJEKF-UHFFFAOYSA-N -1 3 383.368 0.482 20 50 GCGDHM O=C(NCCCOC[C@H]1CCOC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738074268 945180364 /nfs/dbraw/zinc/18/03/64/945180364.db2.gz AAJAWBUFJIRABN-GFCCVEGCSA-N -1 3 389.416 0.254 20 50 GCGDHM O=C(NCCCOC[C@H]1CCOC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738074268 945180371 /nfs/dbraw/zinc/18/03/71/945180371.db2.gz AAJAWBUFJIRABN-GFCCVEGCSA-N -1 3 389.416 0.254 20 50 GCGDHM O=C(NCCCOC[C@@H]1CCOC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738074273 945180751 /nfs/dbraw/zinc/18/07/51/945180751.db2.gz AAJAWBUFJIRABN-LBPRGKRZSA-N -1 3 389.416 0.254 20 50 GCGDHM O=C(NCCCOC[C@@H]1CCOC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738074273 945180754 /nfs/dbraw/zinc/18/07/54/945180754.db2.gz AAJAWBUFJIRABN-LBPRGKRZSA-N -1 3 389.416 0.254 20 50 GCGDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NNc1ccc(-n2cccn2)nn1 ZINC000738101461 945190670 /nfs/dbraw/zinc/19/06/70/945190670.db2.gz YBANKLZREQBVIY-UHFFFAOYSA-N -1 3 395.362 0.808 20 50 GCGDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NNc1ccc(-n2cccn2)nn1 ZINC000738101461 945190680 /nfs/dbraw/zinc/19/06/80/945190680.db2.gz YBANKLZREQBVIY-UHFFFAOYSA-N -1 3 395.362 0.808 20 50 GCGDHM O=C(NCc1ccc(CO)c(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738102797 945190827 /nfs/dbraw/zinc/19/08/27/945190827.db2.gz DINQKOAPCOHVGI-UHFFFAOYSA-N -1 3 385.359 0.642 20 50 GCGDHM O=C(NCc1ccc(CO)c(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738102797 945190836 /nfs/dbraw/zinc/19/08/36/945190836.db2.gz DINQKOAPCOHVGI-UHFFFAOYSA-N -1 3 385.359 0.642 20 50 GCGDHM O=C(NCc1cn2ccsc2n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738124714 945195027 /nfs/dbraw/zinc/19/50/27/945195027.db2.gz PFSVPJRYBNRANT-UHFFFAOYSA-N -1 3 383.397 0.720 20 50 GCGDHM O=C(NCc1cn2ccccc2n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738124007 945195254 /nfs/dbraw/zinc/19/52/54/945195254.db2.gz HDHNBBGPYFDTTA-UHFFFAOYSA-N -1 3 377.368 0.659 20 50 GCGDHM O=C(NCc1cn2ccccc2n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738124007 945195262 /nfs/dbraw/zinc/19/52/62/945195262.db2.gz HDHNBBGPYFDTTA-UHFFFAOYSA-N -1 3 377.368 0.659 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129398 945200881 /nfs/dbraw/zinc/20/08/81/945200881.db2.gz ARRZUEMYOXYMEM-ZDUSSCGKSA-N -1 3 395.379 0.269 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129398 945200888 /nfs/dbraw/zinc/20/08/88/945200888.db2.gz ARRZUEMYOXYMEM-ZDUSSCGKSA-N -1 3 395.379 0.269 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129615 945202791 /nfs/dbraw/zinc/20/27/91/945202791.db2.gz FHWKIRZLBOJCKK-AWEZNQCLSA-N -1 3 391.391 0.681 20 50 GCGDHM O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129615 945202797 /nfs/dbraw/zinc/20/27/97/945202797.db2.gz FHWKIRZLBOJCKK-AWEZNQCLSA-N -1 3 391.391 0.681 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130270 945208519 /nfs/dbraw/zinc/20/85/19/945208519.db2.gz OUFHFWIDXMQBPA-HNNXBMFYSA-N -1 3 395.354 0.960 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130270 945208523 /nfs/dbraw/zinc/20/85/23/945208523.db2.gz OUFHFWIDXMQBPA-HNNXBMFYSA-N -1 3 395.354 0.960 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738130631 945210362 /nfs/dbraw/zinc/21/03/62/945210362.db2.gz UBNJSQFFLNSVSC-ZJUUUORDSA-N -1 3 397.317 0.085 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738130631 945210366 /nfs/dbraw/zinc/21/03/66/945210366.db2.gz UBNJSQFFLNSVSC-ZJUUUORDSA-N -1 3 397.317 0.085 20 50 GCGDHM O=C(NNC(=O)c1cccc(-n2cncn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738134153 945217484 /nfs/dbraw/zinc/21/74/84/945217484.db2.gz GFEKAXKFRGCEQL-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(-n2cncn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738134153 945217490 /nfs/dbraw/zinc/21/74/90/945217490.db2.gz GFEKAXKFRGCEQL-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCOCC1 ZINC000738134355 945219581 /nfs/dbraw/zinc/21/95/81/945219581.db2.gz LFCVBGUEWVJSLV-UHFFFAOYSA-N -1 3 382.837 0.763 20 50 GCGDHM O=C(NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCOCC1 ZINC000738134355 945219588 /nfs/dbraw/zinc/21/95/88/945219588.db2.gz LFCVBGUEWVJSLV-UHFFFAOYSA-N -1 3 382.837 0.763 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cncn2)cc1 ZINC000738134625 945220997 /nfs/dbraw/zinc/22/09/97/945220997.db2.gz PNBYPWBKJBEYHT-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cncn2)cc1 ZINC000738134625 945221002 /nfs/dbraw/zinc/22/10/02/945221002.db2.gz PNBYPWBKJBEYHT-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738136336 945233644 /nfs/dbraw/zinc/23/36/44/945233644.db2.gz JWRJOZDZYPYUGY-AWEZNQCLSA-N -1 3 398.427 0.308 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738136336 945233653 /nfs/dbraw/zinc/23/36/53/945233653.db2.gz JWRJOZDZYPYUGY-AWEZNQCLSA-N -1 3 398.427 0.308 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)NC1CCN(CC(F)F)CC1 ZINC000738137289 945244437 /nfs/dbraw/zinc/24/44/37/945244437.db2.gz SZNPAGXTMVFUTE-UHFFFAOYSA-N -1 3 394.386 0.540 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)NC1CCN(CC(F)F)CC1 ZINC000738137289 945244440 /nfs/dbraw/zinc/24/44/40/945244440.db2.gz SZNPAGXTMVFUTE-UHFFFAOYSA-N -1 3 394.386 0.540 20 50 GCGDHM O=C(NNC(=O)N1CCc2ccc(O)cc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738137739 945248149 /nfs/dbraw/zinc/24/81/49/945248149.db2.gz ZGNRKGNMMJAEAW-UHFFFAOYSA-N -1 3 379.380 0.985 20 50 GCGDHM O=C(NNC(=O)N1CCc2ccc(O)cc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738137739 945248151 /nfs/dbraw/zinc/24/81/51/945248151.db2.gz ZGNRKGNMMJAEAW-UHFFFAOYSA-N -1 3 379.380 0.985 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738295525 945258205 /nfs/dbraw/zinc/25/82/05/945258205.db2.gz HYRZQMULUGLRBX-CYBMUJFWSA-N -1 3 395.354 0.893 20 50 GCGDHM O=C(NNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738295525 945258209 /nfs/dbraw/zinc/25/82/09/945258209.db2.gz HYRZQMULUGLRBX-CYBMUJFWSA-N -1 3 395.354 0.893 20 50 GCGDHM CC(=NNC(=O)[C@@H]1COCCO1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819773878 945289828 /nfs/dbraw/zinc/28/98/28/945289828.db2.gz WOUMFFOYSJXOOR-INIZCTEOSA-N -1 3 396.411 0.616 20 50 GCGDHM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000819866143 945299660 /nfs/dbraw/zinc/29/96/60/945299660.db2.gz JTFBIVWUJIFURY-LURJTMIESA-N -1 3 378.336 0.762 20 50 GCGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000819866144 945300336 /nfs/dbraw/zinc/30/03/36/945300336.db2.gz JTFBIVWUJIFURY-ZCFIWIBFSA-N -1 3 378.336 0.762 20 50 GCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000819883001 945306421 /nfs/dbraw/zinc/30/64/21/945306421.db2.gz DPSMBLNNOZJIRY-JTQLQIEISA-N -1 3 384.352 0.568 20 50 GCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000819883001 945306427 /nfs/dbraw/zinc/30/64/27/945306427.db2.gz DPSMBLNNOZJIRY-JTQLQIEISA-N -1 3 384.352 0.568 20 50 GCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819884753 945308893 /nfs/dbraw/zinc/30/88/93/945308893.db2.gz ZAJSVSVLCOVUFF-NSHDSACASA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819884753 945308898 /nfs/dbraw/zinc/30/88/98/945308898.db2.gz ZAJSVSVLCOVUFF-NSHDSACASA-N -1 3 386.412 0.997 20 50 GCGDHM CC(C)n1ccc(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)n1 ZINC000735965027 944728686 /nfs/dbraw/zinc/72/86/86/944728686.db2.gz IZFPXQNJZCIFCX-UHFFFAOYSA-N -1 3 399.415 0.554 20 50 GCGDHM CC(C)n1ccc(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)n1 ZINC000735965027 944728690 /nfs/dbraw/zinc/72/86/90/944728690.db2.gz IZFPXQNJZCIFCX-UHFFFAOYSA-N -1 3 399.415 0.554 20 50 GCGDHM C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736121645 944745364 /nfs/dbraw/zinc/74/53/64/944745364.db2.gz FCRGTKKAUVZRCZ-LLVKDONJSA-N -1 3 379.380 0.446 20 50 GCGDHM C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736121645 944745377 /nfs/dbraw/zinc/74/53/77/944745377.db2.gz FCRGTKKAUVZRCZ-LLVKDONJSA-N -1 3 379.380 0.446 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000736142477 944749277 /nfs/dbraw/zinc/74/92/77/944749277.db2.gz OVOTVEKZUGDDBL-INIZCTEOSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@](O)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000736142477 944749286 /nfs/dbraw/zinc/74/92/86/944749286.db2.gz OVOTVEKZUGDDBL-INIZCTEOSA-N -1 3 387.425 0.780 20 50 GCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000736166938 944751012 /nfs/dbraw/zinc/75/10/12/944751012.db2.gz BCGSDJJYZBAUSG-BZNIZROVSA-N -1 3 394.391 0.785 20 50 GCGDHM C[C@]1(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCOC1 ZINC000736217638 944764890 /nfs/dbraw/zinc/76/48/90/944764890.db2.gz ZTTXURQQCTUZDA-MRXNPFEDSA-N -1 3 375.389 0.003 20 50 GCGDHM C[C@]1(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCOC1 ZINC000736217638 944764899 /nfs/dbraw/zinc/76/48/99/944764899.db2.gz ZTTXURQQCTUZDA-MRXNPFEDSA-N -1 3 375.389 0.003 20 50 GCGDHM C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CS2 ZINC000736232038 944770728 /nfs/dbraw/zinc/77/07/28/944770728.db2.gz ZRVLJIKHVXZAHY-BDJLRTHQSA-N -1 3 387.425 0.082 20 50 GCGDHM C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CS2 ZINC000736232038 944770730 /nfs/dbraw/zinc/77/07/30/944770730.db2.gz ZRVLJIKHVXZAHY-BDJLRTHQSA-N -1 3 387.425 0.082 20 50 GCGDHM CCC(CC)NC(=O)C(=O)NNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000736346237 944805407 /nfs/dbraw/zinc/80/54/07/944805407.db2.gz VTJMYEAIUIDBHO-UHFFFAOYSA-N -1 3 376.446 0.489 20 50 GCGDHM CCC(CC)NC(=O)C(=O)NNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000736346237 944805413 /nfs/dbraw/zinc/80/54/13/944805413.db2.gz VTJMYEAIUIDBHO-UHFFFAOYSA-N -1 3 376.446 0.489 20 50 GCGDHM CC[C@H](O)CN1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000736381529 944812514 /nfs/dbraw/zinc/81/25/14/944812514.db2.gz IJDANNKHTZNVMM-TYWAAFNRSA-N -1 3 398.471 0.336 20 50 GCGDHM CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736411578 944815306 /nfs/dbraw/zinc/81/53/06/944815306.db2.gz KSTDANXLXUXKGV-CQSZACIVSA-N -1 3 385.428 0.809 20 50 GCGDHM CCCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736411578 944815308 /nfs/dbraw/zinc/81/53/08/944815308.db2.gz KSTDANXLXUXKGV-CQSZACIVSA-N -1 3 385.428 0.809 20 50 GCGDHM CCC[C@@H](C)N1C[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736421424 944816846 /nfs/dbraw/zinc/81/68/46/944816846.db2.gz BHGFNXXPDAQAFL-BXUZGUMPSA-N -1 3 385.428 0.665 20 50 GCGDHM CCC[C@@H](C)N1C[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736421424 944816849 /nfs/dbraw/zinc/81/68/49/944816849.db2.gz BHGFNXXPDAQAFL-BXUZGUMPSA-N -1 3 385.428 0.665 20 50 GCGDHM CCN(CC)C(=O)CSCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736529076 944838979 /nfs/dbraw/zinc/83/89/79/944838979.db2.gz IOOFTPFIPALFQH-UHFFFAOYSA-N -1 3 391.457 0.229 20 50 GCGDHM CCN(CC)C(=O)CSCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736529076 944838984 /nfs/dbraw/zinc/83/89/84/944838984.db2.gz IOOFTPFIPALFQH-UHFFFAOYSA-N -1 3 391.457 0.229 20 50 GCGDHM CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736600822 944851713 /nfs/dbraw/zinc/85/17/13/944851713.db2.gz OIRSTBWYHPUVQG-ZDUSSCGKSA-N -1 3 387.400 0.496 20 50 GCGDHM CCOC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736600822 944851720 /nfs/dbraw/zinc/85/17/20/944851720.db2.gz OIRSTBWYHPUVQG-ZDUSSCGKSA-N -1 3 387.400 0.496 20 50 GCGDHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(S[C@H](C)C(=O)NNC(=O)CC)n1 ZINC000736602735 944854669 /nfs/dbraw/zinc/85/46/69/944854669.db2.gz MFLLJEAUDKZGBI-MRVPVSSYSA-N -1 3 393.429 0.476 20 50 GCGDHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(S[C@H](C)C(=O)NNC(=O)CC)n1 ZINC000736602735 944854674 /nfs/dbraw/zinc/85/46/74/944854674.db2.gz MFLLJEAUDKZGBI-MRVPVSSYSA-N -1 3 393.429 0.476 20 50 GCGDHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736655706 944864742 /nfs/dbraw/zinc/86/47/42/944864742.db2.gz DQGMDBBWAORSIF-YRVKEHPISA-N -1 3 391.457 0.360 20 50 GCGDHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736655706 944864746 /nfs/dbraw/zinc/86/47/46/944864746.db2.gz DQGMDBBWAORSIF-YRVKEHPISA-N -1 3 391.457 0.360 20 50 GCGDHM CCc1nc(CCNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)no1 ZINC000736699099 944871338 /nfs/dbraw/zinc/87/13/38/944871338.db2.gz IRLQDUUACGBIIM-GHXNOFRVSA-N -1 3 381.400 0.725 20 50 GCGDHM CCc1nc(CCNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)no1 ZINC000736699099 944871348 /nfs/dbraw/zinc/87/13/48/944871348.db2.gz IRLQDUUACGBIIM-GHXNOFRVSA-N -1 3 381.400 0.725 20 50 GCGDHM CCc1onc(C)c1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736714183 944876531 /nfs/dbraw/zinc/87/65/31/944876531.db2.gz ULBUTERSVQGRHP-UHFFFAOYSA-N -1 3 399.367 0.344 20 50 GCGDHM CCc1onc(C)c1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736714183 944876538 /nfs/dbraw/zinc/87/65/38/944876538.db2.gz ULBUTERSVQGRHP-UHFFFAOYSA-N -1 3 399.367 0.344 20 50 GCGDHM CCn1cnnc1CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736721175 944878947 /nfs/dbraw/zinc/87/89/47/944878947.db2.gz BTGRJHKGRYPEAI-NTUHNPAUSA-N -1 3 380.416 0.391 20 50 GCGDHM CCn1cnnc1CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736721175 944878953 /nfs/dbraw/zinc/87/89/53/944878953.db2.gz BTGRJHKGRYPEAI-NTUHNPAUSA-N -1 3 380.416 0.391 20 50 GCGDHM CN(C)C(=O)c1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736752317 944883750 /nfs/dbraw/zinc/88/37/50/944883750.db2.gz UVDHSOZVTAGUHX-UHFFFAOYSA-N -1 3 379.380 0.643 20 50 GCGDHM CN(C)C(=O)c1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736752317 944883757 /nfs/dbraw/zinc/88/37/57/944883757.db2.gz UVDHSOZVTAGUHX-UHFFFAOYSA-N -1 3 379.380 0.643 20 50 GCGDHM CN(C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736763041 944886378 /nfs/dbraw/zinc/88/63/78/944886378.db2.gz ZSTFZORUWCAXGY-INIZCTEOSA-N -1 3 379.424 0.801 20 50 GCGDHM CN(C)CC(=O)NNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000736764314 944886621 /nfs/dbraw/zinc/88/66/21/944886621.db2.gz OYOVBMCEBAGZHQ-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM CN(C)CC(=O)NNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000736764314 944886625 /nfs/dbraw/zinc/88/66/25/944886625.db2.gz OYOVBMCEBAGZHQ-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM CN(Cc1cccc(C(N)=O)c1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736821309 944895506 /nfs/dbraw/zinc/89/55/06/944895506.db2.gz CSHMMUBJAMPNBU-UHFFFAOYSA-N -1 3 394.395 0.452 20 50 GCGDHM CN(Cc1cccc(C(N)=O)c1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736821309 944895512 /nfs/dbraw/zinc/89/55/12/944895512.db2.gz CSHMMUBJAMPNBU-UHFFFAOYSA-N -1 3 394.395 0.452 20 50 GCGDHM CN1C(=O)c2ccc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)cc2C1=O ZINC000736848163 944898425 /nfs/dbraw/zinc/89/84/25/944898425.db2.gz ZFEIFLMIKVGKFX-UHFFFAOYSA-N -1 3 391.347 0.167 20 50 GCGDHM CNC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736877846 944902974 /nfs/dbraw/zinc/90/29/74/944902974.db2.gz PSPUXRBXSOFFEX-UHFFFAOYSA-N -1 3 394.395 0.371 20 50 GCGDHM CNC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736877846 944902980 /nfs/dbraw/zinc/90/29/80/944902980.db2.gz PSPUXRBXSOFFEX-UHFFFAOYSA-N -1 3 394.395 0.371 20 50 GCGDHM CNc1snc(C)c1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736886800 944904982 /nfs/dbraw/zinc/90/49/82/944904982.db2.gz ABNDAHTYXKCCNR-UHFFFAOYSA-N -1 3 388.413 0.513 20 50 GCGDHM COC(=O)[C@H](C)CSCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736890991 944905609 /nfs/dbraw/zinc/90/56/09/944905609.db2.gz HJFAPPNCSWCPJE-SECBINFHSA-N -1 3 378.414 0.170 20 50 GCGDHM COC(=O)[C@H](C)CSCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736890991 944905619 /nfs/dbraw/zinc/90/56/19/944905619.db2.gz HJFAPPNCSWCPJE-SECBINFHSA-N -1 3 378.414 0.170 20 50 GCGDHM CNc1nnc(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000736889916 944906501 /nfs/dbraw/zinc/90/65/01/944906501.db2.gz YBWQVJSCDFUYFL-UHFFFAOYSA-N -1 3 391.442 0.313 20 50 GCGDHM CNc1nnc(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000736889916 944906507 /nfs/dbraw/zinc/90/65/07/944906507.db2.gz YBWQVJSCDFUYFL-UHFFFAOYSA-N -1 3 391.442 0.313 20 50 GCGDHM CNC(=O)c1cncc(C=CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736881208 944906548 /nfs/dbraw/zinc/90/65/48/944906548.db2.gz BEWNIKVTMVADRE-FARCUNLSSA-N -1 3 392.379 0.096 20 50 GCGDHM CNC(=O)c1cncc(C=CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736881208 944906556 /nfs/dbraw/zinc/90/65/56/944906556.db2.gz BEWNIKVTMVADRE-FARCUNLSSA-N -1 3 392.379 0.096 20 50 GCGDHM COC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736910520 944910008 /nfs/dbraw/zinc/91/00/08/944910008.db2.gz FOYXHPKUOIIAHU-SECBINFHSA-N -1 3 378.414 0.313 20 50 GCGDHM COC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736910520 944910016 /nfs/dbraw/zinc/91/00/16/944910016.db2.gz FOYXHPKUOIIAHU-SECBINFHSA-N -1 3 378.414 0.313 20 50 GCGDHM COC(=O)N1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736934912 944914998 /nfs/dbraw/zinc/91/49/98/944914998.db2.gz FKJVMNHKPRHARD-LVOZBFFPSA-N -1 3 398.427 0.768 20 50 GCGDHM COC(=O)N1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736934912 944915008 /nfs/dbraw/zinc/91/50/08/944915008.db2.gz FKJVMNHKPRHARD-LVOZBFFPSA-N -1 3 398.427 0.768 20 50 GCGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000737024921 944935357 /nfs/dbraw/zinc/93/53/57/944935357.db2.gz UWSQMHARSZOFTD-UHFFFAOYSA-N -1 3 393.363 0.587 20 50 GCGDHM COc1cc(OC)c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000737052242 944939709 /nfs/dbraw/zinc/93/97/09/944939709.db2.gz PNYWXMMFAYOYHX-UHFFFAOYSA-N -1 3 398.379 0.967 20 50 GCGDHM COc1ccc(C(=O)NN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000737072690 944943919 /nfs/dbraw/zinc/94/39/19/944943919.db2.gz WIOGZFNAASCGDB-HNNXBMFYSA-N -1 3 397.395 0.345 20 50 GCGDHM COc1ccc(C(=O)NN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000737072690 944943925 /nfs/dbraw/zinc/94/39/25/944943925.db2.gz WIOGZFNAASCGDB-HNNXBMFYSA-N -1 3 397.395 0.345 20 50 GCGDHM COc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc1-c1nnn[n-]1 ZINC000737081577 944953188 /nfs/dbraw/zinc/95/31/88/944953188.db2.gz PDGANCHHWWADID-UHFFFAOYSA-N -1 3 390.367 0.615 20 50 GCGDHM COc1ccc(C=NNC(=O)c2ccc(-n3cnnn3)cc2)cc1-c1nn[n-]n1 ZINC000737081577 944953202 /nfs/dbraw/zinc/95/32/02/944953202.db2.gz PDGANCHHWWADID-UHFFFAOYSA-N -1 3 390.367 0.615 20 50 GCGDHM COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737101413 944959196 /nfs/dbraw/zinc/95/91/96/944959196.db2.gz GLGAXGXRJYLEBF-UHFFFAOYSA-N -1 3 381.352 0.275 20 50 GCGDHM COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737101413 944959198 /nfs/dbraw/zinc/95/91/98/944959198.db2.gz GLGAXGXRJYLEBF-UHFFFAOYSA-N -1 3 381.352 0.275 20 50 GCGDHM COc1cccc(NCC(=O)NNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737139575 944968797 /nfs/dbraw/zinc/96/87/97/944968797.db2.gz LNFHMSDDZMLVQO-UHFFFAOYSA-N -1 3 396.411 0.547 20 50 GCGDHM CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737163310 944974275 /nfs/dbraw/zinc/97/42/75/944974275.db2.gz VIFFYUHHDBJYGJ-AWEZNQCLSA-N -1 3 392.441 0.705 20 50 GCGDHM CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737163310 944974279 /nfs/dbraw/zinc/97/42/79/944974279.db2.gz VIFFYUHHDBJYGJ-AWEZNQCLSA-N -1 3 392.441 0.705 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCOC[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000737211608 944987404 /nfs/dbraw/zinc/98/74/04/944987404.db2.gz DOMWZDZSKKCMBU-BRSWLGOBSA-N -1 3 399.455 0.980 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCOC[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000737211608 944987412 /nfs/dbraw/zinc/98/74/12/944987412.db2.gz DOMWZDZSKKCMBU-BRSWLGOBSA-N -1 3 399.455 0.980 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCN2CCOC(C)(C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212021 944988252 /nfs/dbraw/zinc/98/82/52/944988252.db2.gz GSVYPKLDUVXECB-DHDCSXOGSA-N -1 3 398.471 0.648 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCCN(C(N)=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000737212447 944992579 /nfs/dbraw/zinc/99/25/79/944992579.db2.gz JNSMYNJSNOTSDO-MDWZMJQESA-N -1 3 383.416 0.034 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCCN(C(N)=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000737212447 944992582 /nfs/dbraw/zinc/99/25/82/944992582.db2.gz JNSMYNJSNOTSDO-MDWZMJQESA-N -1 3 383.416 0.034 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nncn2C2CC2)cc(-c2nnn[n-]2)n1C ZINC000737212443 944993168 /nfs/dbraw/zinc/99/31/68/944993168.db2.gz JKBGPGFFNMSKRB-XGICHPGQSA-N -1 3 378.400 0.663 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nncn2C2CC2)cc(-c2nn[n-]n2)n1C ZINC000737212443 944993179 /nfs/dbraw/zinc/99/31/79/944993179.db2.gz JKBGPGFFNMSKRB-XGICHPGQSA-N -1 3 378.400 0.663 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000737212545 944993559 /nfs/dbraw/zinc/99/35/59/944993559.db2.gz KUPYRLPYMOYARV-WYWOSOOYSA-N -1 3 398.471 0.646 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCN2C(=O)CCC2=O)cc(-c2nnn[n-]2)n1C ZINC000737213462 945003565 /nfs/dbraw/zinc/00/35/65/945003565.db2.gz TWZJFLWKHCUSCQ-JYRVWZFOSA-N -1 3 396.411 0.076 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCN2C(=O)CCC2=O)cc(-c2nn[n-]n2)n1C ZINC000737213462 945003571 /nfs/dbraw/zinc/00/35/71/945003571.db2.gz TWZJFLWKHCUSCQ-JYRVWZFOSA-N -1 3 396.411 0.076 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCc2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000737213498 945004272 /nfs/dbraw/zinc/00/42/72/945004272.db2.gz UPGVCIDHNNXIQV-VIZOYTHASA-N -1 3 379.428 0.903 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCN2CCCC2=O)cc(-c2nnn[n-]2)n1C ZINC000737213732 945006428 /nfs/dbraw/zinc/00/64/28/945006428.db2.gz WKTYPEQLQIIIHB-NTEUORMPSA-N -1 3 382.428 0.501 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCN2CCCC2=O)cc(-c2nn[n-]n2)n1C ZINC000737213732 945006440 /nfs/dbraw/zinc/00/64/40/945006440.db2.gz WKTYPEQLQIIIHB-NTEUORMPSA-N -1 3 382.428 0.501 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2nnc3n2CCC3)cc(-c2nnn[n-]2)n1C ZINC000737213843 945008401 /nfs/dbraw/zinc/00/84/01/945008401.db2.gz XRMHHYHCRUYZOT-SRMXYGTFSA-N -1 3 392.427 0.836 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2nnc3n2CCC3)cc(-c2nn[n-]n2)n1C ZINC000737213843 945008414 /nfs/dbraw/zinc/00/84/14/945008414.db2.gz XRMHHYHCRUYZOT-SRMXYGTFSA-N -1 3 392.427 0.836 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCCS(=O)(=O)C2)cc(-c2nnn[n-]2)n1C ZINC000737213961 945010553 /nfs/dbraw/zinc/01/05/53/945010553.db2.gz ZHFXFCDPTYSJLM-UWUHSAQLSA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCCS(=O)(=O)C2)cc(-c2nn[n-]n2)n1C ZINC000737213961 945010559 /nfs/dbraw/zinc/01/05/59/945010559.db2.gz ZHFXFCDPTYSJLM-UWUHSAQLSA-N -1 3 389.441 0.114 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000737213995 945011384 /nfs/dbraw/zinc/01/13/84/945011384.db2.gz ZKTRCJWZRHQCMN-XKBFBRDOSA-N -1 3 385.428 0.590 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000737213995 945011393 /nfs/dbraw/zinc/01/13/93/945011393.db2.gz ZKTRCJWZRHQCMN-XKBFBRDOSA-N -1 3 385.428 0.590 20 50 GCGDHM Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737225664 945014650 /nfs/dbraw/zinc/01/46/50/945014650.db2.gz GETPHZBWZORTTM-UHFFFAOYSA-N -1 3 389.379 0.831 20 50 GCGDHM Cc1cc(-n2cncn2)ccc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737225664 945014663 /nfs/dbraw/zinc/01/46/63/945014663.db2.gz GETPHZBWZORTTM-UHFFFAOYSA-N -1 3 389.379 0.831 20 50 GCGDHM Cc1cc2nc(C)cc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)n2n1 ZINC000737236906 945017215 /nfs/dbraw/zinc/01/72/15/945017215.db2.gz USJNZTIHPINQFO-UHFFFAOYSA-N -1 3 377.368 0.601 20 50 GCGDHM Cc1cc2nc(C)cc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)n2n1 ZINC000737236906 945017229 /nfs/dbraw/zinc/01/72/29/945017229.db2.gz USJNZTIHPINQFO-UHFFFAOYSA-N -1 3 377.368 0.601 20 50 GCGDHM Cc1cc(C)c(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(=O)[nH]1 ZINC000737244907 945018766 /nfs/dbraw/zinc/01/87/66/945018766.db2.gz AFGCOGFQVGWXCT-UHFFFAOYSA-N -1 3 382.384 0.728 20 50 GCGDHM Cc1cc(C)c(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(=O)[nH]1 ZINC000737244907 945018777 /nfs/dbraw/zinc/01/87/77/945018777.db2.gz AFGCOGFQVGWXCT-UHFFFAOYSA-N -1 3 382.384 0.728 20 50 GCGDHM Cc1ccc(NC(=O)C(=O)NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737357142 945046845 /nfs/dbraw/zinc/04/68/45/945046845.db2.gz VMHQIQPEYKJIMK-UHFFFAOYSA-N -1 3 389.379 0.912 20 50 GCGDHM Cc1ccc(NC(=O)C(=O)NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737357142 945046854 /nfs/dbraw/zinc/04/68/54/945046854.db2.gz VMHQIQPEYKJIMK-UHFFFAOYSA-N -1 3 389.379 0.912 20 50 GCGDHM Cc1ccc(NCC(=O)NNC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737362793 945048612 /nfs/dbraw/zinc/04/86/12/945048612.db2.gz XALHJODCUVJIOU-UHFFFAOYSA-N -1 3 381.396 0.813 20 50 GCGDHM Cc1ccc(NCC(=O)NNC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737362793 945048622 /nfs/dbraw/zinc/04/86/22/945048622.db2.gz XALHJODCUVJIOU-UHFFFAOYSA-N -1 3 381.396 0.813 20 50 GCGDHM Cc1cccc2nc(CNC(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)cn21 ZINC000737417026 945061162 /nfs/dbraw/zinc/06/11/62/945061162.db2.gz DTBPTRPPZNYVHL-UHFFFAOYSA-N -1 3 391.395 0.967 20 50 GCGDHM Cc1cccc2nc(CNC(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)cn21 ZINC000737417026 945061172 /nfs/dbraw/zinc/06/11/72/945061172.db2.gz DTBPTRPPZNYVHL-UHFFFAOYSA-N -1 3 391.395 0.967 20 50 GCGDHM CC(F)(F)CCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820307522 945411952 /nfs/dbraw/zinc/41/19/52/945411952.db2.gz MZLPWNIYNYMCBO-UHFFFAOYSA-N -1 3 382.327 0.606 20 50 GCGDHM CC(F)(F)CCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820307522 945411960 /nfs/dbraw/zinc/41/19/60/945411960.db2.gz MZLPWNIYNYMCBO-UHFFFAOYSA-N -1 3 382.327 0.606 20 50 GCGDHM C[C@H](NC(=O)NNc1nc(=O)c2cnn(C)c2[n-]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820372570 945433001 /nfs/dbraw/zinc/43/30/01/945433001.db2.gz AVHSDKSIZRFQON-QMMMGPOBSA-N -1 3 395.387 0.636 20 50 GCGDHM CC1(C)CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCS1 ZINC000820601640 945496245 /nfs/dbraw/zinc/49/62/45/945496245.db2.gz QNUQILBGALHKAM-UHFFFAOYSA-N -1 3 375.458 0.455 20 50 GCGDHM CC1(C)CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCS1 ZINC000820601640 945496247 /nfs/dbraw/zinc/49/62/47/945496247.db2.gz QNUQILBGALHKAM-UHFFFAOYSA-N -1 3 375.458 0.455 20 50 GCGDHM C[C@@H]1CC[C@H](CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820683385 945523361 /nfs/dbraw/zinc/52/33/61/945523361.db2.gz AJJOJQRYVCOANL-NEPJUHHUSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CC[C@H](CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820683385 945523372 /nfs/dbraw/zinc/52/33/72/945523372.db2.gz AJJOJQRYVCOANL-NEPJUHHUSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](C)S1 ZINC000820750384 945546144 /nfs/dbraw/zinc/54/61/44/945546144.db2.gz BFIAFOILFVTJQT-PHIMTYICSA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](C)S1 ZINC000820750384 945546152 /nfs/dbraw/zinc/54/61/52/945546152.db2.gz BFIAFOILFVTJQT-PHIMTYICSA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@@H]1CN(CCC(=O)N[N-]C(=O)c2cc(-c3nn[nH]n3)cs2)C[C@@H](C)O1 ZINC000820752310 945547505 /nfs/dbraw/zinc/54/75/05/945547505.db2.gz LRMZXAITGJSNEQ-NXEZZACHSA-N -1 3 379.446 0.189 20 50 GCGDHM CCCC[C@@H](NC(=O)NCC)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821043619 945622547 /nfs/dbraw/zinc/62/25/47/945622547.db2.gz QQMAITSMLFTMMF-CYBMUJFWSA-N -1 3 388.432 0.506 20 50 GCGDHM CCCC[C@@H](NC(=O)NCC)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821043619 945622557 /nfs/dbraw/zinc/62/25/57/945622557.db2.gz QQMAITSMLFTMMF-CYBMUJFWSA-N -1 3 388.432 0.506 20 50 GCGDHM CCCCC[C@H](O)CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821050057 945625376 /nfs/dbraw/zinc/62/53/76/945625376.db2.gz PEMUVOBTDMKFSF-ZDUSSCGKSA-N -1 3 376.417 0.724 20 50 GCGDHM CCOC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821325065 945670783 /nfs/dbraw/zinc/67/07/83/945670783.db2.gz BAZDIUISFNAREX-SNVBAGLBSA-N -1 3 392.441 0.703 20 50 GCGDHM CCOC(=O)C[C@@H](C)SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821325065 945670787 /nfs/dbraw/zinc/67/07/87/945670787.db2.gz BAZDIUISFNAREX-SNVBAGLBSA-N -1 3 392.441 0.703 20 50 GCGDHM CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821427221 945692635 /nfs/dbraw/zinc/69/26/35/945692635.db2.gz OSXPCXDNQZDDRW-LLVKDONJSA-N -1 3 399.411 0.832 20 50 GCGDHM CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821427221 945692644 /nfs/dbraw/zinc/69/26/44/945692644.db2.gz OSXPCXDNQZDDRW-LLVKDONJSA-N -1 3 399.411 0.832 20 50 GCGDHM CCn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821563702 945714607 /nfs/dbraw/zinc/71/46/07/945714607.db2.gz ASVPJRDIRDSSQN-UHFFFAOYSA-N -1 3 379.384 0.692 20 50 GCGDHM CCn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821563702 945714612 /nfs/dbraw/zinc/71/46/12/945714612.db2.gz ASVPJRDIRDSSQN-UHFFFAOYSA-N -1 3 379.384 0.692 20 50 GCGDHM CN(C)C(=O)c1ccc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000821578164 945723641 /nfs/dbraw/zinc/72/36/41/945723641.db2.gz QODADZXUSLHSEK-UHFFFAOYSA-N -1 3 382.384 0.426 20 50 GCGDHM CN(CCc1ccc(F)cc1)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821605074 945740465 /nfs/dbraw/zinc/74/04/65/945740465.db2.gz UHWUESUPVZBYDZ-UHFFFAOYSA-N -1 3 397.414 0.941 20 50 GCGDHM CNC(=O)CC1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821631561 945760769 /nfs/dbraw/zinc/76/07/69/945760769.db2.gz LUPRWQHDFUXRDL-UHFFFAOYSA-N -1 3 386.416 0.069 20 50 GCGDHM CNC(=O)CC1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821631561 945760774 /nfs/dbraw/zinc/76/07/74/945760774.db2.gz LUPRWQHDFUXRDL-UHFFFAOYSA-N -1 3 386.416 0.069 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)COCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644913 945770697 /nfs/dbraw/zinc/77/06/97/945770697.db2.gz MJRHKQWWGIDKDP-KRWDZBQOSA-N -1 3 396.407 0.918 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)COCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644913 945770705 /nfs/dbraw/zinc/77/07/05/945770705.db2.gz MJRHKQWWGIDKDP-KRWDZBQOSA-N -1 3 396.407 0.918 20 50 GCGDHM COCCC1(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000821686206 945809327 /nfs/dbraw/zinc/80/93/27/945809327.db2.gz FHWZDBVWZILLOJ-UHFFFAOYSA-N -1 3 389.416 0.393 20 50 GCGDHM COCCC1(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000821686206 945809341 /nfs/dbraw/zinc/80/93/41/945809341.db2.gz FHWZDBVWZILLOJ-UHFFFAOYSA-N -1 3 389.416 0.393 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821691763 945819584 /nfs/dbraw/zinc/81/95/84/945819584.db2.gz CUBOBVLVLRHAQQ-GHMZBOCLSA-N -1 3 377.405 0.310 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821691763 945819593 /nfs/dbraw/zinc/81/95/93/945819593.db2.gz CUBOBVLVLRHAQQ-GHMZBOCLSA-N -1 3 377.405 0.310 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821692374 945822315 /nfs/dbraw/zinc/82/23/15/945822315.db2.gz VXEWPBBBONJIKZ-MRVPVSSYSA-N -1 3 399.864 0.889 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821692374 945822324 /nfs/dbraw/zinc/82/23/24/945822324.db2.gz VXEWPBBBONJIKZ-MRVPVSSYSA-N -1 3 399.864 0.889 20 50 GCGDHM COCCOC[C@@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821692167 945822569 /nfs/dbraw/zinc/82/25/69/945822569.db2.gz PUPDMSOOUUJTED-UVYNJXETSA-N -1 3 399.455 0.932 20 50 GCGDHM COCCOC[C@@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821692167 945822583 /nfs/dbraw/zinc/82/25/83/945822583.db2.gz PUPDMSOOUUJTED-UVYNJXETSA-N -1 3 399.455 0.932 20 50 GCGDHM COCc1nc2n(n1)C[C@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696680 945830459 /nfs/dbraw/zinc/83/04/59/945830459.db2.gz MFQSCLSDVAZRJW-GFCCVEGCSA-N -1 3 384.404 0.246 20 50 GCGDHM COCc1nc2n(n1)C[C@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696680 945830475 /nfs/dbraw/zinc/83/04/75/945830475.db2.gz MFQSCLSDVAZRJW-GFCCVEGCSA-N -1 3 384.404 0.246 20 50 GCGDHM COCc1nc2n(n1)C[C@@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696681 945830541 /nfs/dbraw/zinc/83/05/41/945830541.db2.gz MFQSCLSDVAZRJW-LBPRGKRZSA-N -1 3 384.404 0.246 20 50 GCGDHM COCc1nc2n(n1)C[C@@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696681 945830555 /nfs/dbraw/zinc/83/05/55/945830555.db2.gz MFQSCLSDVAZRJW-LBPRGKRZSA-N -1 3 384.404 0.246 20 50 GCGDHM COc1cc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000821703008 945839570 /nfs/dbraw/zinc/83/95/70/945839570.db2.gz KQYXSZXVMUKAII-UHFFFAOYSA-N -1 3 386.343 0.854 20 50 GCGDHM COc1cc(OC)cc(C(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821723529 945848825 /nfs/dbraw/zinc/84/88/25/945848825.db2.gz CWYNDKDHCLBUGW-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM COc1cc(OC)cc(C(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821723529 945848835 /nfs/dbraw/zinc/84/88/35/945848835.db2.gz CWYNDKDHCLBUGW-UHFFFAOYSA-N -1 3 382.380 0.888 20 50 GCGDHM COc1ccc(NC(=S)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1F ZINC000821835654 945881907 /nfs/dbraw/zinc/88/19/07/945881907.db2.gz OUZSKGQVSFZACB-UHFFFAOYSA-N -1 3 390.404 0.984 20 50 GCGDHM COc1ccc(NC(=S)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1F ZINC000821835654 945881918 /nfs/dbraw/zinc/88/19/18/945881918.db2.gz OUZSKGQVSFZACB-UHFFFAOYSA-N -1 3 390.404 0.984 20 50 GCGDHM COc1cccc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821867377 945887034 /nfs/dbraw/zinc/88/70/34/945887034.db2.gz DPJBHYPSFWVSAQ-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM COc1cccc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821867377 945887044 /nfs/dbraw/zinc/88/70/44/945887044.db2.gz DPJBHYPSFWVSAQ-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM C[S@@](=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821942185 945906472 /nfs/dbraw/zinc/90/64/72/945906472.db2.gz MMKIOQZRVLSKBN-MUUNZHRXSA-N -1 3 399.436 0.748 20 50 GCGDHM C[S@@](=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821942185 945906479 /nfs/dbraw/zinc/90/64/79/945906479.db2.gz MMKIOQZRVLSKBN-MUUNZHRXSA-N -1 3 399.436 0.748 20 50 GCGDHM CS[C@@H]1CC[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821950411 945910565 /nfs/dbraw/zinc/91/05/65/945910565.db2.gz MYRDRNVXBSYYAV-WCQYABFASA-N -1 3 391.457 0.860 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H](C)CS(C)(=O)=O)cc(-c2nnn[n-]2)n1C ZINC000822026922 945925414 /nfs/dbraw/zinc/92/54/14/945925414.db2.gz BJVAQSXQUHCLLC-YNHMVAKQSA-N -1 3 392.441 0.645 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H](C)CS(C)(=O)=O)cc(-c2nn[n-]n2)n1C ZINC000822026922 945925421 /nfs/dbraw/zinc/92/54/21/945925421.db2.gz BJVAQSXQUHCLLC-YNHMVAKQSA-N -1 3 392.441 0.645 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCn2cnnc2C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027091 945929040 /nfs/dbraw/zinc/92/90/40/945929040.db2.gz CXZVZIOLRUGOKX-VGOFMYFVSA-N -1 3 394.443 0.952 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCn2cnnc2C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027091 945929048 /nfs/dbraw/zinc/92/90/48/945929048.db2.gz CXZVZIOLRUGOKX-VGOFMYFVSA-N -1 3 394.443 0.952 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000822027394 945930928 /nfs/dbraw/zinc/93/09/28/945930928.db2.gz GVRCDFSNSFLHLA-YQJFHSMKSA-N -1 3 396.411 0.073 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000822027394 945930935 /nfs/dbraw/zinc/93/09/35/945930935.db2.gz GVRCDFSNSFLHLA-YQJFHSMKSA-N -1 3 396.411 0.073 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000822027392 945931521 /nfs/dbraw/zinc/93/15/21/945931521.db2.gz GVRCDFSNSFLHLA-XLVZXTRVSA-N -1 3 396.411 0.073 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000822027392 945931532 /nfs/dbraw/zinc/93/15/32/945931532.db2.gz GVRCDFSNSFLHLA-XLVZXTRVSA-N -1 3 396.411 0.073 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CO[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822027441 945934059 /nfs/dbraw/zinc/93/40/59/945934059.db2.gz HDCBUXNMJGWLPG-QFDODDKSSA-N -1 3 385.428 0.731 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CO[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822027441 945934066 /nfs/dbraw/zinc/93/40/66/945934066.db2.gz HDCBUXNMJGWLPG-QFDODDKSSA-N -1 3 385.428 0.731 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc(-c2nnn[n-]2)n1C ZINC000822027604 945934177 /nfs/dbraw/zinc/93/41/77/945934177.db2.gz IQCRFGOIKQYWSL-ZRRSMEQGSA-N -1 3 394.439 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc(-c2nn[n-]n2)n1C ZINC000822027604 945934183 /nfs/dbraw/zinc/93/41/83/945934183.db2.gz IQCRFGOIKQYWSL-ZRRSMEQGSA-N -1 3 394.439 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc(-c2nn[n-]n2)n1C ZINC000822027489 945934303 /nfs/dbraw/zinc/93/43/03/945934303.db2.gz HHKZSRQNFCUHAT-ZZIXRIHPSA-N -1 3 384.444 0.256 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN([C@H]3CCOC3)CC2)cc(-c2nn[n-]n2)n1C ZINC000822027966 945939405 /nfs/dbraw/zinc/93/94/05/945939405.db2.gz KPDSXDWLIIYGRI-TYWAAFNRSA-N -1 3 396.455 0.354 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)COCC2CC2)cc(-c2nnn[n-]2)n1C ZINC000822028635 945947059 /nfs/dbraw/zinc/94/70/59/945947059.db2.gz REWNRHMZMMDEFX-JVDKPVQESA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)COCC2CC2)cc(-c2nn[n-]n2)n1C ZINC000822028635 945947070 /nfs/dbraw/zinc/94/70/70/945947070.db2.gz REWNRHMZMMDEFX-JVDKPVQESA-N -1 3 385.428 0.324 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCn2ccc([N+](=O)[O-])n2)cc(-c2nn[n-]n2)n1C ZINC000822028788 945947221 /nfs/dbraw/zinc/94/72/21/945947221.db2.gz SEKZLZFLEOLBSU-GHXNOFRVSA-N -1 3 397.355 0.769 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc(-c2nnn[n-]2)n1C ZINC000822028992 945949219 /nfs/dbraw/zinc/94/92/19/945949219.db2.gz UEUROFPRHHKBQU-QCIDEEOMSA-N -1 3 397.439 0.827 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc(-c2nn[n-]n2)n1C ZINC000822028992 945949228 /nfs/dbraw/zinc/94/92/28/945949228.db2.gz UEUROFPRHHKBQU-QCIDEEOMSA-N -1 3 397.439 0.827 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(NC(N)=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000822028823 945950072 /nfs/dbraw/zinc/95/00/72/945950072.db2.gz SJPFBDJSTVLHEA-KPKJPENVSA-N -1 3 383.416 0.080 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(NC(N)=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000822028823 945950078 /nfs/dbraw/zinc/95/00/78/945950078.db2.gz SJPFBDJSTVLHEA-KPKJPENVSA-N -1 3 383.416 0.080 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nnnn2C2CC2)cc(-c2nnn[n-]2)n1C ZINC000822029092 945952976 /nfs/dbraw/zinc/95/29/76/945952976.db2.gz VONKDSZYWZDKKN-VZUCSPMQSA-N -1 3 379.388 0.058 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2nnnn2C2CC2)cc(-c2nn[n-]n2)n1C ZINC000822029092 945952987 /nfs/dbraw/zinc/95/29/87/945952987.db2.gz VONKDSZYWZDKKN-VZUCSPMQSA-N -1 3 379.388 0.058 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCO[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822029090 945953040 /nfs/dbraw/zinc/95/30/40/945953040.db2.gz VNSVGUQPQUHEAJ-OWTLUSIOSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCO[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822029090 945953051 /nfs/dbraw/zinc/95/30/51/945953051.db2.gz VNSVGUQPQUHEAJ-OWTLUSIOSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1cc(F)ccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822205751 945990920 /nfs/dbraw/zinc/99/09/20/945990920.db2.gz HJFLNYSXWQCARX-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1cc(F)ccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822205751 945990926 /nfs/dbraw/zinc/99/09/26/945990926.db2.gz HJFLNYSXWQCARX-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822227646 946007269 /nfs/dbraw/zinc/00/72/69/946007269.db2.gz QIVCDQBXSHJIDE-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822227646 946007279 /nfs/dbraw/zinc/00/72/79/946007279.db2.gz QIVCDQBXSHJIDE-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1ccc([C@@H](C)C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822227546 946007373 /nfs/dbraw/zinc/00/73/73/946007373.db2.gz MUFPHGABHBCYAA-LLVKDONJSA-N -1 3 398.379 0.876 20 50 GCGDHM Cc1ccc([C@@H](C)C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822227546 946007384 /nfs/dbraw/zinc/00/73/84/946007384.db2.gz MUFPHGABHBCYAA-LLVKDONJSA-N -1 3 398.379 0.876 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)CN(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822356000 946067045 /nfs/dbraw/zinc/06/70/45/946067045.db2.gz FXCMNZMPPJFXHI-UHFFFAOYSA-N -1 3 393.451 0.997 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)CN(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822356000 946067053 /nfs/dbraw/zinc/06/70/53/946067053.db2.gz FXCMNZMPPJFXHI-UHFFFAOYSA-N -1 3 393.451 0.997 20 50 GCGDHM Cc1nnc(SCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822516125 946107308 /nfs/dbraw/zinc/10/73/08/946107308.db2.gz VZABWHLZYWKOJN-UHFFFAOYSA-N -1 3 376.427 0.580 20 50 GCGDHM Cc1nnc(SCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822516125 946107317 /nfs/dbraw/zinc/10/73/17/946107317.db2.gz VZABWHLZYWKOJN-UHFFFAOYSA-N -1 3 376.427 0.580 20 50 GCGDHM Cc1noc(C)c1CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822519936 946110829 /nfs/dbraw/zinc/11/08/29/946110829.db2.gz OEVMCYCMKLKURC-UHFFFAOYSA-N -1 3 399.367 0.018 20 50 GCGDHM Cc1noc(C)c1CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822519936 946110835 /nfs/dbraw/zinc/11/08/35/946110835.db2.gz OEVMCYCMKLKURC-UHFFFAOYSA-N -1 3 399.367 0.018 20 50 GCGDHM Cn1cc(C[C@@H]2CCN(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000822673919 946153811 /nfs/dbraw/zinc/15/38/11/946153811.db2.gz GPJADRPXVNGUEI-LBPRGKRZSA-N -1 3 395.427 0.519 20 50 GCGDHM Cn1cc(C[C@@H]2CCN(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822673919 946153816 /nfs/dbraw/zinc/15/38/16/946153816.db2.gz GPJADRPXVNGUEI-LBPRGKRZSA-N -1 3 395.427 0.519 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)CSc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC000822822657 946197270 /nfs/dbraw/zinc/19/72/70/946197270.db2.gz ADEBOYDMFJEJMX-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1ccc(C(=O)NNC(=O)CSc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC000822822657 946197282 /nfs/dbraw/zinc/19/72/82/946197282.db2.gz ADEBOYDMFJEJMX-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1ccc(SCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000822833884 946201221 /nfs/dbraw/zinc/20/12/21/946201221.db2.gz ZDAVWZLTFVKOLE-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM N#Cc1ccc(SCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822833884 946201237 /nfs/dbraw/zinc/20/12/37/946201237.db2.gz ZDAVWZLTFVKOLE-UHFFFAOYSA-N -1 3 380.393 0.687 20 50 GCGDHM O=C(CN1CC[C@@H]1Cc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822993425 946252639 /nfs/dbraw/zinc/25/26/39/946252639.db2.gz STFDDJCEHPHGML-QGZVFWFLSA-N -1 3 391.435 0.945 20 50 GCGDHM O=C(CN1CC[C@@H]1Cc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822993425 946252650 /nfs/dbraw/zinc/25/26/50/946252650.db2.gz STFDDJCEHPHGML-QGZVFWFLSA-N -1 3 391.435 0.945 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NN=c1nc[nH]c2ccsc21 ZINC000823005469 946265653 /nfs/dbraw/zinc/26/56/53/946265653.db2.gz SIHGCAQVYVENCC-UHFFFAOYSA-N -1 3 395.408 0.745 20 50 GCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NN=c1nc[nH]c2ccsc21 ZINC000823005469 946265663 /nfs/dbraw/zinc/26/56/63/946265663.db2.gz SIHGCAQVYVENCC-UHFFFAOYSA-N -1 3 395.408 0.745 20 50 GCGDHM O=C(C=Cc1cccs1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018059 946269899 /nfs/dbraw/zinc/26/98/99/946269899.db2.gz HDRJYPFHYTYMOW-FPLPWBNLSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(C=Cc1cccs1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018059 946269914 /nfs/dbraw/zinc/26/99/14/946269914.db2.gz HDRJYPFHYTYMOW-FPLPWBNLSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(C=Cc1ccco1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018583 946273349 /nfs/dbraw/zinc/27/33/49/946273349.db2.gz SGFNNLJSKOJZRD-VOTSOKGWSA-N -1 3 382.336 0.477 20 50 GCGDHM O=C(C=Cc1ccco1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018583 946273357 /nfs/dbraw/zinc/27/33/57/946273357.db2.gz SGFNNLJSKOJZRD-VOTSOKGWSA-N -1 3 382.336 0.477 20 50 GCGDHM O=C(COC(=O)[C@H]1CC12CCCC2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018487 946273603 /nfs/dbraw/zinc/27/36/03/946273603.db2.gz PCJCBXJGUXHBRB-CYBMUJFWSA-N -1 3 384.396 0.751 20 50 GCGDHM O=C(COC(=O)[C@H]1CC12CCCC2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018487 946273608 /nfs/dbraw/zinc/27/36/08/946273608.db2.gz PCJCBXJGUXHBRB-CYBMUJFWSA-N -1 3 384.396 0.751 20 50 GCGDHM O=C(COC(=O)CCc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018742 946276350 /nfs/dbraw/zinc/27/63/50/946276350.db2.gz WVVPPHNTOIFFMD-UHFFFAOYSA-N -1 3 394.391 0.804 20 50 GCGDHM O=C(COC(=O)CCc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018742 946276358 /nfs/dbraw/zinc/27/63/58/946276358.db2.gz WVVPPHNTOIFFMD-UHFFFAOYSA-N -1 3 394.391 0.804 20 50 GCGDHM O=C(COC(=O)c1ccc(F)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823026734 946278794 /nfs/dbraw/zinc/27/87/94/946278794.db2.gz DFCULWFXJWZUQZ-UHFFFAOYSA-N -1 3 384.327 0.624 20 50 GCGDHM O=C(COC(=O)c1ccc(F)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823026734 946278806 /nfs/dbraw/zinc/27/88/06/946278806.db2.gz DFCULWFXJWZUQZ-UHFFFAOYSA-N -1 3 384.327 0.624 20 50 GCGDHM O=C(COC(=O)c1cccc(O)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823027138 946281460 /nfs/dbraw/zinc/28/14/60/946281460.db2.gz NMOSBDFFRLGHTM-UHFFFAOYSA-N -1 3 382.336 0.190 20 50 GCGDHM O=C(COC(=O)c1cccc(O)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823027138 946281468 /nfs/dbraw/zinc/28/14/68/946281468.db2.gz NMOSBDFFRLGHTM-UHFFFAOYSA-N -1 3 382.336 0.190 20 50 GCGDHM O=C(COC(=O)c1cccc(F)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823027606 946283724 /nfs/dbraw/zinc/28/37/24/946283724.db2.gz YBXJSLVIGHLWND-UHFFFAOYSA-N -1 3 384.327 0.624 20 50 GCGDHM O=C(COC(=O)c1cccc(F)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823027606 946283734 /nfs/dbraw/zinc/28/37/34/946283734.db2.gz YBXJSLVIGHLWND-UHFFFAOYSA-N -1 3 384.327 0.624 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NC[C@@H]1CCCS1 ZINC000823036540 946285666 /nfs/dbraw/zinc/28/56/66/946285666.db2.gz GEHHNLYOMJHNDP-LBPRGKRZSA-N -1 3 377.430 0.472 20 50 GCGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000823043964 946291158 /nfs/dbraw/zinc/29/11/58/946291158.db2.gz NORDIDSBPKHXAS-UHFFFAOYSA-N -1 3 397.399 0.015 20 50 GCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000823043964 946291166 /nfs/dbraw/zinc/29/11/66/946291166.db2.gz NORDIDSBPKHXAS-UHFFFAOYSA-N -1 3 397.399 0.015 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823078672 946306046 /nfs/dbraw/zinc/30/60/46/946306046.db2.gz RKPNWKKHOBVZSU-UHFFFAOYSA-N -1 3 376.380 0.447 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823078672 946306054 /nfs/dbraw/zinc/30/60/54/946306054.db2.gz RKPNWKKHOBVZSU-UHFFFAOYSA-N -1 3 376.380 0.447 20 50 GCGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)[C@H]1COc2ccccc2O1 ZINC000823103456 946310580 /nfs/dbraw/zinc/31/05/80/946310580.db2.gz GZKDRKGVNVMGJO-OAHLLOKOSA-N -1 3 380.364 0.397 20 50 GCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)[C@H]1COc2ccccc2O1 ZINC000823103456 946310592 /nfs/dbraw/zinc/31/05/92/946310592.db2.gz GZKDRKGVNVMGJO-OAHLLOKOSA-N -1 3 380.364 0.397 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000823118771 946322665 /nfs/dbraw/zinc/32/26/65/946322665.db2.gz QCYNNPQRLQZGCT-UHFFFAOYSA-N -1 3 386.379 0.855 20 50 GCGDHM O=C(Cc1cn2ccccc2n1)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000823118771 946322676 /nfs/dbraw/zinc/32/26/76/946322676.db2.gz QCYNNPQRLQZGCT-UHFFFAOYSA-N -1 3 386.379 0.855 20 50 GCGDHM O=C(NCC[C@@H](O)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823183137 946337552 /nfs/dbraw/zinc/33/75/52/946337552.db2.gz RNWIELVJMMSACB-OAHLLOKOSA-N -1 3 381.396 0.934 20 50 GCGDHM O=C(NCC[C@@H](O)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823183137 946337566 /nfs/dbraw/zinc/33/75/66/946337566.db2.gz RNWIELVJMMSACB-OAHLLOKOSA-N -1 3 381.396 0.934 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN1Cc1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000823273194 946374294 /nfs/dbraw/zinc/37/42/94/946374294.db2.gz HPMYORBROMMHIG-MRXNPFEDSA-N -1 3 392.423 0.687 20 50 GCGDHM O=C(NNC(=O)[C@H]1CCCN1Cc1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000823273194 946374307 /nfs/dbraw/zinc/37/43/07/946374307.db2.gz HPMYORBROMMHIG-MRXNPFEDSA-N -1 3 392.423 0.687 20 50 GCGDHM O=C(NNC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277348 946401437 /nfs/dbraw/zinc/40/14/37/946401437.db2.gz LKYWMNNFSPZPPA-CYBMUJFWSA-N -1 3 385.306 0.220 20 50 GCGDHM O=C(NNC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277348 946401445 /nfs/dbraw/zinc/40/14/45/946401445.db2.gz LKYWMNNFSPZPPA-CYBMUJFWSA-N -1 3 385.306 0.220 20 50 GCGDHM O=C(NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1COCCO1 ZINC000823277513 946402620 /nfs/dbraw/zinc/40/26/20/946402620.db2.gz NYLSFZBXMMESDJ-JTQLQIEISA-N -1 3 383.821 0.253 20 50 GCGDHM O=C(NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1COCCO1 ZINC000823277513 946402632 /nfs/dbraw/zinc/40/26/32/946402632.db2.gz NYLSFZBXMMESDJ-JTQLQIEISA-N -1 3 383.821 0.253 20 50 GCGDHM CS[C@H](CO)[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826225591 947665587 /nfs/dbraw/zinc/66/55/87/947665587.db2.gz FNUJALXLPABATO-QPTBEZODSA-N -1 3 375.458 0.649 20 50 GCGDHM CS[C@H](CO)[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826225591 947665593 /nfs/dbraw/zinc/66/55/93/947665593.db2.gz FNUJALXLPABATO-QPTBEZODSA-N -1 3 375.458 0.649 20 50 GCGDHM Cc1cnc([C@@H](C)NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826317859 947930575 /nfs/dbraw/zinc/93/05/75/947930575.db2.gz OTKQYLWHEKPTBS-SNVBAGLBSA-N -1 3 386.372 0.634 20 50 GCGDHM Cc1csc2ncc(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)c(=O)n12 ZINC000826320753 947938070 /nfs/dbraw/zinc/93/80/70/947938070.db2.gz CGIBFXVSXGPZNT-UHFFFAOYSA-N -1 3 396.392 0.319 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@@H]1CCCOCC1 ZINC000826417619 948259256 /nfs/dbraw/zinc/25/92/56/948259256.db2.gz XTJPNOLQJXPOES-GFCCVEGCSA-N -1 3 375.389 0.145 20 50 GCGDHM O=C(NNC(=O)N1CCC([C@@H]2CCOC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444438 948307551 /nfs/dbraw/zinc/30/75/51/948307551.db2.gz GMXPBHYUNCXEKY-OAHLLOKOSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC([C@@H]2CCOC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444438 948307558 /nfs/dbraw/zinc/30/75/58/948307558.db2.gz GMXPBHYUNCXEKY-OAHLLOKOSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C([O-])[C@@H]1CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC001594694802 956765836 /nfs/dbraw/zinc/76/58/36/956765836.db2.gz WQQMWDLFYRGGRZ-UONOGXRCSA-N -1 3 376.369 0.398 20 50 GCGDHM O=C(CCC(=O)Nc1nnc(C2CC2)o1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826405102 607350542 /nfs/dbraw/zinc/35/05/42/607350542.db2.gz VWQOLNBFWDUAFH-UHFFFAOYSA-N -1 3 383.372 0.989 20 50 GCGDHM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825296748 607352473 /nfs/dbraw/zinc/35/24/73/607352473.db2.gz UUDRLYCKZWKXQL-CQSZACIVSA-N -1 3 393.473 0.904 20 50 GCGDHM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000824936145 607355052 /nfs/dbraw/zinc/35/50/52/607355052.db2.gz FCSOSXPUQUDEID-BBATYDOGSA-N -1 3 398.427 0.811 20 50 GCGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000824039543 607354830 /nfs/dbraw/zinc/35/48/30/607354830.db2.gz FGUGUZCRBDFJCZ-HONMWMINSA-N -1 3 383.412 0.874 20 50 GCGDHM C[C@@H]1NC(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)=NN(c2ccccc2)C1=O ZINC000825013248 607354979 /nfs/dbraw/zinc/35/49/79/607354979.db2.gz NWNMPMLWIRFZDH-NSHDSACASA-N -1 3 391.395 0.648 20 50 GCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000826480088 607357366 /nfs/dbraw/zinc/35/73/66/607357366.db2.gz QVINOPAMRFBZCD-UHFFFAOYSA-N -1 3 392.379 0.782 20 50 GCGDHM NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826392242 607396686 /nfs/dbraw/zinc/39/66/86/607396686.db2.gz RPCUMTGHPLQBKZ-JTQLQIEISA-N -1 3 384.322 0.872 20 50 GCGDHM NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826392242 607396687 /nfs/dbraw/zinc/39/66/87/607396687.db2.gz RPCUMTGHPLQBKZ-JTQLQIEISA-N -1 3 384.322 0.872 20 50 GCGDHM NS(=O)(=O)c1ccc(Cl)c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826394349 607465340 /nfs/dbraw/zinc/46/53/40/607465340.db2.gz GTZVJAUHUVFYLL-UHFFFAOYSA-N -1 3 393.816 0.924 20 50 GCGDHM O=C(CN1CCc2ccc(F)cc2C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826411723 607473812 /nfs/dbraw/zinc/47/38/12/607473812.db2.gz KELSHFZLFICRAK-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM O=C(CN1CCc2ccc(F)cc2C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826411723 607473814 /nfs/dbraw/zinc/47/38/14/607473814.db2.gz KELSHFZLFICRAK-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)COCC(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235607 607510133 /nfs/dbraw/zinc/51/01/33/607510133.db2.gz MVWSVZXZISIRAS-ZXZGFYSFSA-N -1 3 387.444 0.570 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)COCC(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235607 607510136 /nfs/dbraw/zinc/51/01/36/607510136.db2.gz MVWSVZXZISIRAS-ZXZGFYSFSA-N -1 3 387.444 0.570 20 50 GCGDHM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406549 607712136 /nfs/dbraw/zinc/71/21/36/607712136.db2.gz BUNBELWIIARUGC-KBPBESRZSA-N -1 3 383.412 0.875 20 50 GCGDHM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406549 607712138 /nfs/dbraw/zinc/71/21/38/607712138.db2.gz BUNBELWIIARUGC-KBPBESRZSA-N -1 3 383.412 0.875 20 50 GCGDHM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409837 607713997 /nfs/dbraw/zinc/71/39/97/607713997.db2.gz QUGQUCRNVHDTRQ-UHFFFAOYSA-N -1 3 392.379 0.816 20 50 GCGDHM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409837 607713999 /nfs/dbraw/zinc/71/39/99/607713999.db2.gz QUGQUCRNVHDTRQ-UHFFFAOYSA-N -1 3 392.379 0.816 20 50 GCGDHM CNC(=O)c1cccc(CCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826073366 607725574 /nfs/dbraw/zinc/72/55/74/607725574.db2.gz PRVJASOOJOHVQK-UHFFFAOYSA-N -1 3 393.407 0.620 20 50 GCGDHM CNC(=O)c1cccc(CCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826073366 607725576 /nfs/dbraw/zinc/72/55/76/607725576.db2.gz PRVJASOOJOHVQK-UHFFFAOYSA-N -1 3 393.407 0.620 20 50 GCGDHM O=C(Cn1cc(Br)ccc1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424674 607726333 /nfs/dbraw/zinc/72/63/33/607726333.db2.gz XWECJBLWYDPRDM-UHFFFAOYSA-N -1 3 390.201 0.934 20 50 GCGDHM O=C(Cn1cc(Br)ccc1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424674 607726335 /nfs/dbraw/zinc/72/63/35/607726335.db2.gz XWECJBLWYDPRDM-UHFFFAOYSA-N -1 3 390.201 0.934 20 50 GCGDHM Cn1cc([C@H]2[C@H](C(=O)NNc3cccc(-c4nnn[n-]4)c3)CCC(=O)N2C)cn1 ZINC000826011087 607727786 /nfs/dbraw/zinc/72/77/86/607727786.db2.gz WMTWQFPLFXHGKP-ZBFHGGJFSA-N -1 3 395.427 0.653 20 50 GCGDHM Cn1cc([C@H]2[C@H](C(=O)NNc3cccc(-c4nn[n-]n4)c3)CCC(=O)N2C)cn1 ZINC000826011087 607727787 /nfs/dbraw/zinc/72/77/87/607727787.db2.gz WMTWQFPLFXHGKP-ZBFHGGJFSA-N -1 3 395.427 0.653 20 50 GCGDHM O=C(CCNS(=O)(=O)c1cccnc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408048 607730149 /nfs/dbraw/zinc/73/01/49/607730149.db2.gz NNAGRDHLLVGTEU-UHFFFAOYSA-N -1 3 388.413 0.073 20 50 GCGDHM O=C(CCNS(=O)(=O)c1cccnc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408048 607730151 /nfs/dbraw/zinc/73/01/51/607730151.db2.gz NNAGRDHLLVGTEU-UHFFFAOYSA-N -1 3 388.413 0.073 20 50 GCGDHM CC(C)[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1CCCS1(=O)=O ZINC000824185368 607732506 /nfs/dbraw/zinc/73/25/06/607732506.db2.gz XLMPTKFTIJHQIS-CYBMUJFWSA-N -1 3 379.446 0.370 20 50 GCGDHM CC(C)[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1CCCS1(=O)=O ZINC000824185368 607732508 /nfs/dbraw/zinc/73/25/08/607732508.db2.gz XLMPTKFTIJHQIS-CYBMUJFWSA-N -1 3 379.446 0.370 20 50 GCGDHM O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823280945 606270384 /nfs/dbraw/zinc/27/03/84/606270384.db2.gz JJQVXLVRXZJLNU-UHFFFAOYSA-N -1 3 383.340 0.948 20 50 GCGDHM O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823280945 606270386 /nfs/dbraw/zinc/27/03/86/606270386.db2.gz JJQVXLVRXZJLNU-UHFFFAOYSA-N -1 3 383.340 0.948 20 50 GCGDHM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823284345 606821678 /nfs/dbraw/zinc/82/16/78/606821678.db2.gz FGBPIOIRJQFRDH-UHFFFAOYSA-N -1 3 382.388 0.642 20 50 GCGDHM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823284345 606821679 /nfs/dbraw/zinc/82/16/79/606821679.db2.gz FGBPIOIRJQFRDH-UHFFFAOYSA-N -1 3 382.388 0.642 20 50 GCGDHM CC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)[C@H](C)C1 ZINC000823974861 607772980 /nfs/dbraw/zinc/77/29/80/607772980.db2.gz TXLHPACRLTWTAD-BNVXBXKGSA-N -1 3 396.455 0.794 20 50 GCGDHM CC(=O)N1CC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)[C@H](C)C1 ZINC000823974861 607772981 /nfs/dbraw/zinc/77/29/81/607772981.db2.gz TXLHPACRLTWTAD-BNVXBXKGSA-N -1 3 396.455 0.794 20 50 GCGDHM Cc1cnccc1CCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826319725 607861048 /nfs/dbraw/zinc/86/10/48/607861048.db2.gz PSBBVGLOMRZVSV-UHFFFAOYSA-N -1 3 396.411 0.522 20 50 GCGDHM Cc1cnccc1CCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826319725 607861049 /nfs/dbraw/zinc/86/10/49/607861049.db2.gz PSBBVGLOMRZVSV-UHFFFAOYSA-N -1 3 396.411 0.522 20 50 GCGDHM O=C(NCCc1cnc(C2CC2)nc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439833 607912014 /nfs/dbraw/zinc/91/20/14/607912014.db2.gz MHDWJEJLUWFNBN-UHFFFAOYSA-N -1 3 393.411 0.721 20 50 GCGDHM O=C(NCCc1cnc(C2CC2)nc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439833 607912015 /nfs/dbraw/zinc/91/20/15/607912015.db2.gz MHDWJEJLUWFNBN-UHFFFAOYSA-N -1 3 393.411 0.721 20 50 GCGDHM C[C@H]1c2cccn2CCN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825028141 607920942 /nfs/dbraw/zinc/92/09/42/607920942.db2.gz FGNAZIXDZQYLAI-LBPRGKRZSA-N -1 3 380.412 0.506 20 50 GCGDHM C[C@H]1c2cccn2CCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825028141 607920943 /nfs/dbraw/zinc/92/09/43/607920943.db2.gz FGNAZIXDZQYLAI-LBPRGKRZSA-N -1 3 380.412 0.506 20 50 GCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccc2O1 ZINC000824985090 607922039 /nfs/dbraw/zinc/92/20/39/607922039.db2.gz RIFSRINPBWPEBI-GFCCVEGCSA-N -1 3 393.407 0.915 20 50 GCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000824985090 607922040 /nfs/dbraw/zinc/92/20/40/607922040.db2.gz RIFSRINPBWPEBI-GFCCVEGCSA-N -1 3 393.407 0.915 20 50 GCGDHM O=C(CN1CCc2ccc(F)cc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411912 607925576 /nfs/dbraw/zinc/92/55/76/607925576.db2.gz SGDLWNSKWNVLDU-UHFFFAOYSA-N -1 3 381.371 0.830 20 50 GCGDHM O=C(CN1CCc2ccc(F)cc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411912 607925577 /nfs/dbraw/zinc/92/55/77/607925577.db2.gz SGDLWNSKWNVLDU-UHFFFAOYSA-N -1 3 381.371 0.830 20 50 GCGDHM O=C(CN1CCc2c(F)cccc2C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826411080 607943024 /nfs/dbraw/zinc/94/30/24/607943024.db2.gz KHAPGPUGXJWTCI-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM O=C(CN1CCc2c(F)cccc2C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826411080 607943025 /nfs/dbraw/zinc/94/30/25/607943025.db2.gz KHAPGPUGXJWTCI-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825499377 608022808 /nfs/dbraw/zinc/02/28/08/608022808.db2.gz LWNOZDZEXYCIQT-JTQLQIEISA-N -1 3 375.389 0.400 20 50 GCGDHM CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825499377 608022809 /nfs/dbraw/zinc/02/28/09/608022809.db2.gz LWNOZDZEXYCIQT-JTQLQIEISA-N -1 3 375.389 0.400 20 50 GCGDHM O=C(NNC(=O)c1ccc(-n2ccnn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445270 608026066 /nfs/dbraw/zinc/02/60/66/608026066.db2.gz MZBUVFQNQBMBDC-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1ccc(-n2ccnn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445270 608026067 /nfs/dbraw/zinc/02/60/67/608026067.db2.gz MZBUVFQNQBMBDC-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNc2ncc(F)cn2)cc1 ZINC000826394855 608038319 /nfs/dbraw/zinc/03/83/19/608038319.db2.gz BSOLJYSXGUSYER-UHFFFAOYSA-N -1 3 381.335 0.321 20 50 GCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNc2ncc(F)cn2)cc1 ZINC000826394855 608038320 /nfs/dbraw/zinc/03/83/20/608038320.db2.gz BSOLJYSXGUSYER-UHFFFAOYSA-N -1 3 381.335 0.321 20 50 GCGDHM O=C(CN1CCc2ccsc2C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826411664 608046006 /nfs/dbraw/zinc/04/60/06/608046006.db2.gz IFRLWFAZVJGDHM-UHFFFAOYSA-N -1 3 383.437 0.748 20 50 GCGDHM O=C(CN1CCc2ccsc2C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826411664 608046007 /nfs/dbraw/zinc/04/60/07/608046007.db2.gz IFRLWFAZVJGDHM-UHFFFAOYSA-N -1 3 383.437 0.748 20 50 GCGDHM CCN(CCc1ccccn1)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428352 608164843 /nfs/dbraw/zinc/16/48/43/608164843.db2.gz KHYZMXVQOJGEAW-UHFFFAOYSA-N -1 3 394.439 0.587 20 50 GCGDHM CCN(CCc1ccccn1)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825428352 608164845 /nfs/dbraw/zinc/16/48/45/608164845.db2.gz KHYZMXVQOJGEAW-UHFFFAOYSA-N -1 3 394.439 0.587 20 50 GCGDHM O=C(CN1CCc2ccc(F)cc21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826411726 608165430 /nfs/dbraw/zinc/16/54/30/608165430.db2.gz KISBAZBCMNHVKJ-UHFFFAOYSA-N -1 3 381.371 0.830 20 50 GCGDHM O=C(CN1CCc2ccc(F)cc21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826411726 608165431 /nfs/dbraw/zinc/16/54/31/608165431.db2.gz KISBAZBCMNHVKJ-UHFFFAOYSA-N -1 3 381.371 0.830 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)C2CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000826235690 608168862 /nfs/dbraw/zinc/16/88/62/608168862.db2.gz OZJJZUNBOBJCIN-VGOFMYFVSA-N -1 3 384.396 0.960 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)C2CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000826235690 608168864 /nfs/dbraw/zinc/16/88/64/608168864.db2.gz OZJJZUNBOBJCIN-VGOFMYFVSA-N -1 3 384.396 0.960 20 50 GCGDHM COc1cccc([C@H](O)C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826215075 608182614 /nfs/dbraw/zinc/18/26/14/608182614.db2.gz GALHQDZGSICWIC-INIZCTEOSA-N -1 3 398.379 0.135 20 50 GCGDHM C[C@@H]1C[C@@H](CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824885922 608204287 /nfs/dbraw/zinc/20/42/87/608204287.db2.gz VEPPEGOHRURKPE-NEPJUHHUSA-N -1 3 389.416 0.391 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)CC[C@H]3C2)cc(-c2nnn[n-]2)n1C ZINC000826235089 608251259 /nfs/dbraw/zinc/25/12/59/608251259.db2.gz BLGJJCFEIYJIAZ-GUNGLEHYSA-N -1 3 380.412 0.254 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN3C(=O)CC[C@H]3C2)cc(-c2nn[n-]n2)n1C ZINC000826235089 608251261 /nfs/dbraw/zinc/25/12/61/608251261.db2.gz BLGJJCFEIYJIAZ-GUNGLEHYSA-N -1 3 380.412 0.254 20 50 GCGDHM CC(C)(CCCO)CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824152884 608273326 /nfs/dbraw/zinc/27/33/26/608273326.db2.gz RTOMDJFWLHANOY-UHFFFAOYSA-N -1 3 391.432 0.375 20 50 GCGDHM CC(C)(CCCO)CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824152884 608273327 /nfs/dbraw/zinc/27/33/27/608273327.db2.gz RTOMDJFWLHANOY-UHFFFAOYSA-N -1 3 391.432 0.375 20 50 GCGDHM O=C(C#Cc1ccccc1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826415247 608318009 /nfs/dbraw/zinc/31/80/09/608318009.db2.gz YBLQUYYVKMRGIX-UHFFFAOYSA-N -1 3 390.359 0.223 20 50 GCGDHM O=C(C#Cc1ccccc1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826415247 608318011 /nfs/dbraw/zinc/31/80/11/608318011.db2.gz YBLQUYYVKMRGIX-UHFFFAOYSA-N -1 3 390.359 0.223 20 50 GCGDHM COCC1(C)CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826152662 608328142 /nfs/dbraw/zinc/32/81/42/608328142.db2.gz IWIJVXTUPIWHJL-UHFFFAOYSA-N -1 3 387.444 0.376 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccccn2)cc(-c2nnn[n-]2)n1C ZINC000826235396 608380995 /nfs/dbraw/zinc/38/09/95/608380995.db2.gz JFMADEMLQRNUPF-ROCHPLJESA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccccn2)cc(-c2nn[n-]n2)n1C ZINC000826235396 608380997 /nfs/dbraw/zinc/38/09/97/608380997.db2.gz JFMADEMLQRNUPF-ROCHPLJESA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccccn2)cc(-c2nnn[n-]2)n1C ZINC000826235397 608381336 /nfs/dbraw/zinc/38/13/36/608381336.db2.gz JFMADEMLQRNUPF-UDYBNVKDSA-N -1 3 378.396 0.665 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccccn2)cc(-c2nn[n-]n2)n1C ZINC000826235397 608381338 /nfs/dbraw/zinc/38/13/38/608381338.db2.gz JFMADEMLQRNUPF-UDYBNVKDSA-N -1 3 378.396 0.665 20 50 GCGDHM NC(=O)CCC1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826390461 608402057 /nfs/dbraw/zinc/40/20/57/608402057.db2.gz APMBLNZNOXHVCB-UHFFFAOYSA-N -1 3 386.416 0.199 20 50 GCGDHM NC(=O)CCC1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826390461 608402059 /nfs/dbraw/zinc/40/20/59/608402059.db2.gz APMBLNZNOXHVCB-UHFFFAOYSA-N -1 3 386.416 0.199 20 50 GCGDHM O=C(CN1CCc2cccc(F)c2C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411751 608469906 /nfs/dbraw/zinc/46/99/06/608469906.db2.gz LRHBVCAKHAFKJI-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM O=C(CN1CCc2cccc(F)c2C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411751 608469907 /nfs/dbraw/zinc/46/99/07/608469907.db2.gz LRHBVCAKHAFKJI-UHFFFAOYSA-N -1 3 395.398 0.825 20 50 GCGDHM CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826145530 608538395 /nfs/dbraw/zinc/53/83/95/608538395.db2.gz IETBNIOKXPHAES-YPMHNXCESA-N -1 3 389.416 0.391 20 50 GCGDHM CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826145530 608538396 /nfs/dbraw/zinc/53/83/96/608538396.db2.gz IETBNIOKXPHAES-YPMHNXCESA-N -1 3 389.416 0.391 20 50 GCGDHM CSCCNC(=S)NNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826229276 608765135 /nfs/dbraw/zinc/76/51/35/608765135.db2.gz XYVXEZVJKMEDRQ-UHFFFAOYSA-N -1 3 383.528 0.817 20 50 GCGDHM CSCCNC(=S)NNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826229276 608765139 /nfs/dbraw/zinc/76/51/39/608765139.db2.gz XYVXEZVJKMEDRQ-UHFFFAOYSA-N -1 3 383.528 0.817 20 50 GCGDHM CCNC(=O)N(C)NC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000825470319 608873625 /nfs/dbraw/zinc/87/36/25/608873625.db2.gz BFYMEDOBVRYULP-UHFFFAOYSA-N -1 3 377.405 0.727 20 50 GCGDHM CCNC(=O)N(C)NC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000825470319 608873627 /nfs/dbraw/zinc/87/36/27/608873627.db2.gz BFYMEDOBVRYULP-UHFFFAOYSA-N -1 3 377.405 0.727 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC=C(C#N)CC1 ZINC000824634283 609164473 /nfs/dbraw/zinc/16/44/73/609164473.db2.gz VFMDWRGGPPAPOU-LLVKDONJSA-N -1 3 387.425 0.216 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC=C(C#N)CC1 ZINC000824634283 609164475 /nfs/dbraw/zinc/16/44/75/609164475.db2.gz VFMDWRGGPPAPOU-LLVKDONJSA-N -1 3 387.425 0.216 20 50 GCGDHM O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826421538 609183674 /nfs/dbraw/zinc/18/36/74/609183674.db2.gz MQLKTVYVFXTFQJ-KRWDZBQOSA-N -1 3 391.391 0.772 20 50 GCGDHM O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826421538 609183675 /nfs/dbraw/zinc/18/36/75/609183675.db2.gz MQLKTVYVFXTFQJ-KRWDZBQOSA-N -1 3 391.391 0.772 20 50 GCGDHM O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826422574 609185579 /nfs/dbraw/zinc/18/55/79/609185579.db2.gz DYHXJHSJCUVNBB-HNNXBMFYSA-N -1 3 386.799 0.944 20 50 GCGDHM O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826422574 609185580 /nfs/dbraw/zinc/18/55/80/609185580.db2.gz DYHXJHSJCUVNBB-HNNXBMFYSA-N -1 3 386.799 0.944 20 50 GCGDHM CN(C)c1cccc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825879703 609186242 /nfs/dbraw/zinc/18/62/42/609186242.db2.gz OXNCIPRDMGRXTR-HNNXBMFYSA-N -1 3 381.396 0.427 20 50 GCGDHM CN(C)c1cccc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825879703 609186244 /nfs/dbraw/zinc/18/62/44/609186244.db2.gz OXNCIPRDMGRXTR-HNNXBMFYSA-N -1 3 381.396 0.427 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000824498663 609192065 /nfs/dbraw/zinc/19/20/65/609192065.db2.gz JILMFNJYWDODBX-AAEUAGOBSA-N -1 3 389.416 0.391 20 50 GCGDHM O=C(NNC(=O)[C@H]1Cc2ccccc2O1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444760 609217008 /nfs/dbraw/zinc/21/70/08/609217008.db2.gz SRNGMVQZVBPLFI-CABCVRRESA-N -1 3 380.364 0.051 20 50 GCGDHM O=C(NNC(=O)[C@H]1Cc2ccccc2O1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444760 609217009 /nfs/dbraw/zinc/21/70/09/609217009.db2.gz SRNGMVQZVBPLFI-CABCVRRESA-N -1 3 380.364 0.051 20 50 GCGDHM O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826424529 609224358 /nfs/dbraw/zinc/22/43/58/609224358.db2.gz QJJFGPKKZNWXDP-KRWDZBQOSA-N -1 3 391.391 0.702 20 50 GCGDHM O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826424529 609224360 /nfs/dbraw/zinc/22/43/60/609224360.db2.gz QJJFGPKKZNWXDP-KRWDZBQOSA-N -1 3 391.391 0.702 20 50 GCGDHM O=C(COCc1ccccc1)NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416761 609236234 /nfs/dbraw/zinc/23/62/34/609236234.db2.gz OBKZLWCAQZJMAV-MRXNPFEDSA-N -1 3 382.380 0.264 20 50 GCGDHM O=C(COCc1ccccc1)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416761 609236235 /nfs/dbraw/zinc/23/62/35/609236235.db2.gz OBKZLWCAQZJMAV-MRXNPFEDSA-N -1 3 382.380 0.264 20 50 GCGDHM CS(=O)(=O)c1ccc(NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826224137 609254226 /nfs/dbraw/zinc/25/42/26/609254226.db2.gz QCAQGRXPRGBIFP-AWEZNQCLSA-N -1 3 388.409 0.447 20 50 GCGDHM CS(=O)(=O)c1ccc(NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826224137 609254228 /nfs/dbraw/zinc/25/42/28/609254228.db2.gz QCAQGRXPRGBIFP-AWEZNQCLSA-N -1 3 388.409 0.447 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NNc1ccccn1 ZINC000824641600 609262398 /nfs/dbraw/zinc/26/23/98/609262398.db2.gz XIJTXPSCPYWWPR-SNVBAGLBSA-N -1 3 388.413 0.072 20 50 GCGDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NNc1ccccn1 ZINC000824641600 609262400 /nfs/dbraw/zinc/26/24/00/609262400.db2.gz XIJTXPSCPYWWPR-SNVBAGLBSA-N -1 3 388.413 0.072 20 50 GCGDHM CCO/C=C(\C#N)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825582303 609265499 /nfs/dbraw/zinc/26/54/99/609265499.db2.gz JELYSAQQPGXNJU-FQNOHDAGSA-N -1 3 381.396 0.922 20 50 GCGDHM CCO/C=C(\C#N)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825582303 609265501 /nfs/dbraw/zinc/26/55/01/609265501.db2.gz JELYSAQQPGXNJU-FQNOHDAGSA-N -1 3 381.396 0.922 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826236068 609265693 /nfs/dbraw/zinc/26/56/93/609265693.db2.gz XTTVEEKPYJHOOX-KXQKXUNCSA-N -1 3 394.439 0.548 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826236068 609265695 /nfs/dbraw/zinc/26/56/95/609265695.db2.gz XTTVEEKPYJHOOX-KXQKXUNCSA-N -1 3 394.439 0.548 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824108042 609334688 /nfs/dbraw/zinc/33/46/88/609334688.db2.gz AWNJQWZJFVWXFI-UHFFFAOYSA-N -1 3 376.377 0.544 20 50 GCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824108042 609334690 /nfs/dbraw/zinc/33/46/90/609334690.db2.gz AWNJQWZJFVWXFI-UHFFFAOYSA-N -1 3 376.377 0.544 20 50 GCGDHM CC1(C)CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824796159 609391764 /nfs/dbraw/zinc/39/17/64/609391764.db2.gz MMJPLAPLAKYJLI-ZDUSSCGKSA-N -1 3 386.412 0.997 20 50 GCGDHM CC1(C)CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824796159 609391766 /nfs/dbraw/zinc/39/17/66/609391766.db2.gz MMJPLAPLAKYJLI-ZDUSSCGKSA-N -1 3 386.412 0.997 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)c2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000826235977 609392912 /nfs/dbraw/zinc/39/29/12/609392912.db2.gz VWIWWRDGGLWSDJ-RUJPKEBESA-N -1 3 381.400 0.004 20 50 GCGDHM CN(Cc1ncc(Cl)n1C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825992341 609444343 /nfs/dbraw/zinc/44/43/43/609444343.db2.gz WIEYUORYMBILAE-UHFFFAOYSA-N -1 3 389.807 0.740 20 50 GCGDHM CN(Cc1ncc(Cl)n1C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825992341 609444346 /nfs/dbraw/zinc/44/43/46/609444346.db2.gz WIEYUORYMBILAE-UHFFFAOYSA-N -1 3 389.807 0.740 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)c1cccc(F)c1 ZINC000826445442 609444919 /nfs/dbraw/zinc/44/49/19/609444919.db2.gz UURFQOISHZZOFU-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)c1cccc(F)c1 ZINC000826445442 609444921 /nfs/dbraw/zinc/44/49/21/609444921.db2.gz UURFQOISHZZOFU-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM Cc1ccccc1[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826306390 609446482 /nfs/dbraw/zinc/44/64/82/609446482.db2.gz XRGOOARNZRGUBE-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccccc1[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826306390 609446484 /nfs/dbraw/zinc/44/64/84/609446484.db2.gz XRGOOARNZRGUBE-HNNXBMFYSA-N -1 3 381.396 0.853 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H](CO)c1cccc(F)c1 ZINC000826445409 609446928 /nfs/dbraw/zinc/44/69/28/609446928.db2.gz STQLSDSWJOURTE-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H](CO)c1cccc(F)c1 ZINC000826445409 609446930 /nfs/dbraw/zinc/44/69/30/609446930.db2.gz STQLSDSWJOURTE-AWEZNQCLSA-N -1 3 385.359 0.683 20 50 GCGDHM CN(CCc1ccncc1)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825946344 609489445 /nfs/dbraw/zinc/48/94/45/609489445.db2.gz UBZXYQGQRBLQSH-UHFFFAOYSA-N -1 3 380.412 0.197 20 50 GCGDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824099810 609559714 /nfs/dbraw/zinc/55/97/14/609559714.db2.gz IJIHAQPXSMFSQD-SFHVURJKSA-N -1 3 399.411 0.889 20 50 GCGDHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824099810 609559717 /nfs/dbraw/zinc/55/97/17/609559717.db2.gz IJIHAQPXSMFSQD-SFHVURJKSA-N -1 3 399.411 0.889 20 50 GCGDHM Cc1nc2n(n1)C[C@@H](NC(=O)C(C#N)=Cc1cc(-c3nnn[n-]3)n(C)c1C)CC2 ZINC000737490879 945081005 /nfs/dbraw/zinc/08/10/05/945081005.db2.gz YSUDGHSUJNKYSK-XMRSSTEGSA-N -1 3 392.427 0.452 20 50 GCGDHM Cc1nc2n(n1)C[C@@H](NC(=O)C(C#N)=Cc1cc(-c3nn[n-]n3)n(C)c1C)CC2 ZINC000737490879 945081013 /nfs/dbraw/zinc/08/10/13/945081013.db2.gz YSUDGHSUJNKYSK-XMRSSTEGSA-N -1 3 392.427 0.452 20 50 GCGDHM Cc1noc(C2CCN(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000737534232 945090504 /nfs/dbraw/zinc/09/05/04/945090504.db2.gz IWFKTRHPJJDPAY-UHFFFAOYSA-N -1 3 397.399 0.792 20 50 GCGDHM Cc1noc(C2CCN(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000737534232 945090513 /nfs/dbraw/zinc/09/05/13/945090513.db2.gz IWFKTRHPJJDPAY-UHFFFAOYSA-N -1 3 397.399 0.792 20 50 GCGDHM Cn1ncc2c1CCC[C@H]2NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737626427 945104214 /nfs/dbraw/zinc/10/42/14/945104214.db2.gz COEOJCLSQDYXLX-CYBMUJFWSA-N -1 3 381.400 0.622 20 50 GCGDHM Cn1ncc2c1CCC[C@H]2NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737626427 945104220 /nfs/dbraw/zinc/10/42/20/945104220.db2.gz COEOJCLSQDYXLX-CYBMUJFWSA-N -1 3 381.400 0.622 20 50 GCGDHM N#Cc1ccccc1OCC(=O)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737727285 945118969 /nfs/dbraw/zinc/11/89/69/945118969.db2.gz IORCOBKOUGAEPV-UHFFFAOYSA-N -1 3 387.363 0.915 20 50 GCGDHM N#Cc1ccccc1OCC(=O)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737727285 945118975 /nfs/dbraw/zinc/11/89/75/945118975.db2.gz IORCOBKOUGAEPV-UHFFFAOYSA-N -1 3 387.363 0.915 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)COc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737982 945120100 /nfs/dbraw/zinc/12/01/00/945120100.db2.gz TUYHUBKTXMPPAW-HNNXBMFYSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)[C@@H](NNC(=O)COc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737982 945120105 /nfs/dbraw/zinc/12/01/05/945120105.db2.gz TUYHUBKTXMPPAW-HNNXBMFYSA-N -1 3 385.359 0.232 20 50 GCGDHM NC(=O)[C@H](NNC(=O)c1cccc2ncccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739585 945120505 /nfs/dbraw/zinc/12/05/05/945120505.db2.gz ZJWBZMCLNNCVTO-MRXNPFEDSA-N -1 3 388.391 0.876 20 50 GCGDHM NC(=O)[C@H](NNC(=O)c1cccc2ncccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739585 945120515 /nfs/dbraw/zinc/12/05/15/945120515.db2.gz ZJWBZMCLNNCVTO-MRXNPFEDSA-N -1 3 388.391 0.876 20 50 GCGDHM O=C(C[C@H]1Oc2ccccc2NC1=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737820935 945131081 /nfs/dbraw/zinc/13/10/81/945131081.db2.gz SSLCUYOENLMSNT-CQSZACIVSA-N -1 3 393.363 0.418 20 50 GCGDHM O=C(C[C@H]1Oc2ccccc2NC1=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737820935 945131089 /nfs/dbraw/zinc/13/10/89/945131089.db2.gz SSLCUYOENLMSNT-CQSZACIVSA-N -1 3 393.363 0.418 20 50 GCGDHM O=C(CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Nc1ccccc1 ZINC000737848010 945137221 /nfs/dbraw/zinc/13/72/21/945137221.db2.gz XCLZNGGXCPZMCH-UHFFFAOYSA-N -1 3 394.395 0.840 20 50 GCGDHM O=C(CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Nc1ccccc1 ZINC000737848010 945137224 /nfs/dbraw/zinc/13/72/24/945137224.db2.gz XCLZNGGXCPZMCH-UHFFFAOYSA-N -1 3 394.395 0.840 20 50 GCGDHM O=C(CN1CCC[C@H](c2cc[nH]n2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737875631 945142694 /nfs/dbraw/zinc/14/26/94/945142694.db2.gz FELHQMPOJXDSDS-AWEZNQCLSA-N -1 3 395.427 0.230 20 50 GCGDHM O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737875634 945143235 /nfs/dbraw/zinc/14/32/35/945143235.db2.gz FELHQMPOJXDSDS-CQSZACIVSA-N -1 3 395.427 0.230 20 50 GCGDHM O=C(CCc1nc(-c2ccco2)no1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737859852 945141259 /nfs/dbraw/zinc/14/12/59/945141259.db2.gz AXAUAWYEWCKHPZ-UHFFFAOYSA-N -1 3 394.351 0.904 20 50 GCGDHM O=C(CCc1nc(-c2ccco2)no1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737859852 945141263 /nfs/dbraw/zinc/14/12/63/945141263.db2.gz AXAUAWYEWCKHPZ-UHFFFAOYSA-N -1 3 394.351 0.904 20 50 GCGDHM O=C(CNC(=O)Nc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737890313 945146423 /nfs/dbraw/zinc/14/64/23/945146423.db2.gz YHYBOMAAVJYNJJ-UHFFFAOYSA-N -1 3 380.368 0.449 20 50 GCGDHM O=C(CNC(=O)Nc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737890313 945146430 /nfs/dbraw/zinc/14/64/30/945146430.db2.gz YHYBOMAAVJYNJJ-UHFFFAOYSA-N -1 3 380.368 0.449 20 50 GCGDHM O=C(CNC(=O)c1cccs1)NNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737892004 945146559 /nfs/dbraw/zinc/14/65/59/945146559.db2.gz QICDTVMBCDZWBU-UHFFFAOYSA-N -1 3 386.397 0.511 20 50 GCGDHM O=C(CNC(=O)c1cccs1)NNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737892004 945146565 /nfs/dbraw/zinc/14/65/65/945146565.db2.gz QICDTVMBCDZWBU-UHFFFAOYSA-N -1 3 386.397 0.511 20 50 GCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)COc1ccc(F)cc1 ZINC000737895204 945148689 /nfs/dbraw/zinc/14/86/89/945148689.db2.gz NLTFUEFQFNBFJY-UHFFFAOYSA-N -1 3 385.359 0.644 20 50 GCGDHM O=C(COc1ccccc1O)NNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737929514 945157002 /nfs/dbraw/zinc/15/70/02/945157002.db2.gz KATOUXRNGVEPRI-UHFFFAOYSA-N -1 3 387.331 0.943 20 50 GCGDHM O=C(COc1ccccc1O)NNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737929514 945157007 /nfs/dbraw/zinc/15/70/07/945157007.db2.gz KATOUXRNGVEPRI-UHFFFAOYSA-N -1 3 387.331 0.943 20 50 GCGDHM O=C(CSC[C@@H]1CCCCO1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737930723 945157971 /nfs/dbraw/zinc/15/79/71/945157971.db2.gz DYFMHYQGMWVOQT-ZDUSSCGKSA-N -1 3 376.442 0.930 20 50 GCGDHM O=C(CSC[C@@H]1CCCCO1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737930723 945157979 /nfs/dbraw/zinc/15/79/79/945157979.db2.gz DYFMHYQGMWVOQT-ZDUSSCGKSA-N -1 3 376.442 0.930 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCCOc1cccnc1 ZINC000737932157 945159536 /nfs/dbraw/zinc/15/95/36/945159536.db2.gz SPHQBRJXQPYFLI-UHFFFAOYSA-N -1 3 398.383 0.050 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCCOc1cccnc1 ZINC000737932157 945159539 /nfs/dbraw/zinc/15/95/39/945159539.db2.gz SPHQBRJXQPYFLI-UHFFFAOYSA-N -1 3 398.383 0.050 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C1C(=O)Nc2cc(F)ccc21 ZINC000737932274 945159691 /nfs/dbraw/zinc/15/96/91/945159691.db2.gz WHZLLKDEUBHOTH-UHFFFAOYSA-N -1 3 381.327 0.857 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C1C(=O)Nc2cc(F)ccc21 ZINC000737932274 945159694 /nfs/dbraw/zinc/15/96/94/945159694.db2.gz WHZLLKDEUBHOTH-UHFFFAOYSA-N -1 3 381.327 0.857 20 50 GCGDHM O=C(Cc1ccccc1F)NNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737973870 945168354 /nfs/dbraw/zinc/16/83/54/945168354.db2.gz IRVPZBOJOPZAQR-UHFFFAOYSA-N -1 3 399.390 0.386 20 50 GCGDHM O=C(Cc1ccccc1F)NNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737973870 945168363 /nfs/dbraw/zinc/16/83/63/945168363.db2.gz IRVPZBOJOPZAQR-UHFFFAOYSA-N -1 3 399.390 0.386 20 50 GCGDHM O=C(CCNC(=O)Cc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737968905 945169006 /nfs/dbraw/zinc/16/90/06/945169006.db2.gz LFVBVKMAXPZLOK-UHFFFAOYSA-N -1 3 393.407 0.377 20 50 GCGDHM O=C(CCNC(=O)Cc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737968905 945169011 /nfs/dbraw/zinc/16/90/11/945169011.db2.gz LFVBVKMAXPZLOK-UHFFFAOYSA-N -1 3 393.407 0.377 20 50 GCGDHM O=C(Cc1cccnc1)NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737975359 945170784 /nfs/dbraw/zinc/17/07/84/945170784.db2.gz ZEKIXMHYJYYYAR-MRXNPFEDSA-N -1 3 392.423 0.621 20 50 GCGDHM O=C(Cc1ccccn1)NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737975182 945171602 /nfs/dbraw/zinc/17/16/02/945171602.db2.gz VDOZHVVSPLFAPN-MRXNPFEDSA-N -1 3 392.423 0.621 20 50 GCGDHM O=C(NC[C@@H](O)c1cccc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738042209 945175197 /nfs/dbraw/zinc/17/51/97/945175197.db2.gz XDAYIDDUEOKFBA-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NC[C@@H](O)c1cccc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738042209 945175201 /nfs/dbraw/zinc/17/52/01/945175201.db2.gz XDAYIDDUEOKFBA-CQSZACIVSA-N -1 3 385.359 0.683 20 50 GCGDHM O=C(NC[C@@H](CCO)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738041251 945175500 /nfs/dbraw/zinc/17/55/00/945175500.db2.gz YVWFNOWLNDGYKS-MRXNPFEDSA-N -1 3 395.423 0.977 20 50 GCGDHM O=C(NC[C@@H](CCO)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738041251 945175508 /nfs/dbraw/zinc/17/55/08/945175508.db2.gz YVWFNOWLNDGYKS-MRXNPFEDSA-N -1 3 395.423 0.977 20 50 GCGDHM O=C(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)OCc1ccccc1 ZINC000738039040 945175586 /nfs/dbraw/zinc/17/55/86/945175586.db2.gz MHALEVUNWDFMJV-UHFFFAOYSA-N -1 3 395.379 0.554 20 50 GCGDHM O=C(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)OCc1ccccc1 ZINC000738039040 945175590 /nfs/dbraw/zinc/17/55/90/945175590.db2.gz MHALEVUNWDFMJV-UHFFFAOYSA-N -1 3 395.379 0.554 20 50 GCGDHM O=C(NCCCNc1ccccn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738074463 945180595 /nfs/dbraw/zinc/18/05/95/945180595.db2.gz CXTZSGGBHLOBTQ-UHFFFAOYSA-N -1 3 381.400 0.708 20 50 GCGDHM O=C(NCc1cccc2c1OCO2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738115380 945192557 /nfs/dbraw/zinc/19/25/57/945192557.db2.gz CFJLADPMARLHAB-UHFFFAOYSA-N -1 3 381.352 0.740 20 50 GCGDHM O=C(NCc1cccc2c1OCO2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738115380 945192559 /nfs/dbraw/zinc/19/25/59/945192559.db2.gz CFJLADPMARLHAB-UHFFFAOYSA-N -1 3 381.352 0.740 20 50 GCGDHM O=C(NCc1nnnn1-c1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000738128682 945197036 /nfs/dbraw/zinc/19/70/36/945197036.db2.gz HFIDFXYQCKQDJY-UHFFFAOYSA-N -1 3 377.372 0.669 20 50 GCGDHM O=C(NCc1nnnn1-c1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000738128682 945197039 /nfs/dbraw/zinc/19/70/39/945197039.db2.gz HFIDFXYQCKQDJY-UHFFFAOYSA-N -1 3 377.372 0.669 20 50 GCGDHM O=C(NN=C1C(=O)Nc2cc3c(cc21)OCCO3)c1cccc(-c2nnn[n-]2)c1 ZINC000738129515 945202587 /nfs/dbraw/zinc/20/25/87/945202587.db2.gz TXLDNKJHUUBYNT-UHFFFAOYSA-N -1 3 391.347 0.724 20 50 GCGDHM O=C(NN=C1C(=O)Nc2cc3c(cc21)OCCO3)c1cccc(-c2nn[n-]n2)c1 ZINC000738129515 945202594 /nfs/dbraw/zinc/20/25/94/945202594.db2.gz TXLDNKJHUUBYNT-UHFFFAOYSA-N -1 3 391.347 0.724 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cccn2)nc1 ZINC000738134900 945224823 /nfs/dbraw/zinc/22/48/23/945224823.db2.gz YEEVDGGLBVGHBO-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cccn2)nc1 ZINC000738134900 945224828 /nfs/dbraw/zinc/22/48/28/945224828.db2.gz YEEVDGGLBVGHBO-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNc1ccccn1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738137488 945244127 /nfs/dbraw/zinc/24/41/27/945244127.db2.gz OLKIFZYISYQHEY-UHFFFAOYSA-N -1 3 380.416 0.952 20 50 GCGDHM O=C(NNc1ccccn1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738137488 945244132 /nfs/dbraw/zinc/24/41/32/945244132.db2.gz OLKIFZYISYQHEY-UHFFFAOYSA-N -1 3 380.416 0.952 20 50 GCGDHM CC(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819834187 945298812 /nfs/dbraw/zinc/29/88/12/945298812.db2.gz NQOKEYWZAFIJAD-UHFFFAOYSA-N -1 3 397.351 0.015 20 50 GCGDHM CC(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819834187 945298815 /nfs/dbraw/zinc/29/88/15/945298815.db2.gz NQOKEYWZAFIJAD-UHFFFAOYSA-N -1 3 397.351 0.015 20 50 GCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000819882928 945305425 /nfs/dbraw/zinc/30/54/25/945305425.db2.gz CTFPHIFVWMLTBW-ZETCQYMHSA-N -1 3 386.290 0.369 20 50 GCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000819882928 945305433 /nfs/dbraw/zinc/30/54/33/945305433.db2.gz CTFPHIFVWMLTBW-ZETCQYMHSA-N -1 3 386.290 0.369 20 50 GCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000819882453 945305660 /nfs/dbraw/zinc/30/56/60/945305660.db2.gz ACXFPCUAXSZHPG-SSDOTTSWSA-N -1 3 386.290 0.369 20 50 GCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000819882453 945305670 /nfs/dbraw/zinc/30/56/70/945305670.db2.gz ACXFPCUAXSZHPG-SSDOTTSWSA-N -1 3 386.290 0.369 20 50 GCGDHM CC(C)(C)OC(=O)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819928414 945314392 /nfs/dbraw/zinc/31/43/92/945314392.db2.gz OKTYJLMCYKHRFL-UHFFFAOYSA-N -1 3 375.389 0.543 20 50 GCGDHM CC(C)(C)OC(=O)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819928414 945314403 /nfs/dbraw/zinc/31/44/03/945314403.db2.gz OKTYJLMCYKHRFL-UHFFFAOYSA-N -1 3 375.389 0.543 20 50 GCGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NN=c1nc[nH]c2[nH]cnc21 ZINC000820001564 945324510 /nfs/dbraw/zinc/32/45/10/945324510.db2.gz SHHHBAIHWNLPGG-UHFFFAOYSA-N -1 3 380.372 0.834 20 50 GCGDHM CC(C)CO[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820096423 945350915 /nfs/dbraw/zinc/35/09/15/945350915.db2.gz CSHGGOVVQCCZQF-OAHLLOKOSA-N -1 3 387.444 0.375 20 50 GCGDHM CC(C)CO[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820096423 945350927 /nfs/dbraw/zinc/35/09/27/945350927.db2.gz CSHGGOVVQCCZQF-OAHLLOKOSA-N -1 3 387.444 0.375 20 50 GCGDHM CC(C)COCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820102778 945353155 /nfs/dbraw/zinc/35/31/55/945353155.db2.gz KGDQLLRPFHDUCJ-UHFFFAOYSA-N -1 3 390.400 0.234 20 50 GCGDHM CC(C)COCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820102778 945353166 /nfs/dbraw/zinc/35/31/66/945353166.db2.gz KGDQLLRPFHDUCJ-UHFFFAOYSA-N -1 3 390.400 0.234 20 50 GCGDHM CC(C)OC1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820141931 945363780 /nfs/dbraw/zinc/36/37/80/945363780.db2.gz CIJYOYRSPHBRND-UHFFFAOYSA-N -1 3 387.444 0.517 20 50 GCGDHM CC(C)OC1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820141931 945363792 /nfs/dbraw/zinc/36/37/92/945363792.db2.gz CIJYOYRSPHBRND-UHFFFAOYSA-N -1 3 387.444 0.517 20 50 GCGDHM CC(C)c1cc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000820187596 945368680 /nfs/dbraw/zinc/36/86/80/945368680.db2.gz IWCPFBILFKUVLN-UHFFFAOYSA-N -1 3 384.400 0.564 20 50 GCGDHM CC(=O)N1CCc2cc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000735466243 944663144 /nfs/dbraw/zinc/66/31/44/944663144.db2.gz DVYFHOCGDVAOMN-UHFFFAOYSA-N -1 3 391.391 0.851 20 50 GCGDHM CC(=O)N1CCc2cc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000735466243 944663149 /nfs/dbraw/zinc/66/31/49/944663149.db2.gz DVYFHOCGDVAOMN-UHFFFAOYSA-N -1 3 391.391 0.851 20 50 GCGDHM CC(C)(C)n1cc(C(=O)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000735661011 944687151 /nfs/dbraw/zinc/68/71/51/944687151.db2.gz HAUDZVYOWIRQQE-UHFFFAOYSA-N -1 3 382.384 0.462 20 50 GCGDHM CC(C)(C)n1cc(C(=O)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000735661011 944687159 /nfs/dbraw/zinc/68/71/59/944687159.db2.gz HAUDZVYOWIRQQE-UHFFFAOYSA-N -1 3 382.384 0.462 20 50 GCGDHM CC(C)C(=O)N1CCC(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735684620 944692179 /nfs/dbraw/zinc/69/21/79/944692179.db2.gz QCKMYQJEMNUSMG-UHFFFAOYSA-N -1 3 385.428 0.522 20 50 GCGDHM CC(C)C(=O)N1CCC(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735684620 944692187 /nfs/dbraw/zinc/69/21/87/944692187.db2.gz QCKMYQJEMNUSMG-UHFFFAOYSA-N -1 3 385.428 0.522 20 50 GCGDHM CC(C)CC(=O)NNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735758177 944698965 /nfs/dbraw/zinc/69/89/65/944698965.db2.gz XUSSKYXWCZCKAY-UHFFFAOYSA-N -1 3 387.448 0.607 20 50 GCGDHM CC(C)CC(=O)NNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735758177 944698971 /nfs/dbraw/zinc/69/89/71/944698971.db2.gz XUSSKYXWCZCKAY-UHFFFAOYSA-N -1 3 387.448 0.607 20 50 GCGDHM CC(C)n1ccc(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735964994 944726666 /nfs/dbraw/zinc/72/66/66/944726666.db2.gz IBPNPFCERYHZOJ-UHFFFAOYSA-N -1 3 399.415 0.554 20 50 GCGDHM C[C@H](CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000735975758 944729665 /nfs/dbraw/zinc/72/96/65/944729665.db2.gz OEFPIQZKPCGIPL-GFCCVEGCSA-N -1 3 381.396 0.982 20 50 GCGDHM C[C@@H](CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000735975760 944731014 /nfs/dbraw/zinc/73/10/14/944731014.db2.gz OEFPIQZKPCGIPL-LBPRGKRZSA-N -1 3 381.396 0.982 20 50 GCGDHM C[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736103688 944739560 /nfs/dbraw/zinc/73/95/60/944739560.db2.gz XRHKVOGAUZIOBD-NSHDSACASA-N -1 3 385.428 0.713 20 50 GCGDHM C[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736103688 944739565 /nfs/dbraw/zinc/73/95/65/944739565.db2.gz XRHKVOGAUZIOBD-NSHDSACASA-N -1 3 385.428 0.713 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117187 944740421 /nfs/dbraw/zinc/74/04/21/944740421.db2.gz IGUDPEIEGDJXJN-JTQLQIEISA-N -1 3 398.383 0.281 20 50 GCGDHM C[C@H](NC(=O)NNC(=O)CNC(=O)c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117187 944740428 /nfs/dbraw/zinc/74/04/28/944740428.db2.gz IGUDPEIEGDJXJN-JTQLQIEISA-N -1 3 398.383 0.281 20 50 GCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1ccccc1O ZINC000736167620 944751524 /nfs/dbraw/zinc/75/15/24/944751524.db2.gz FQEXICWECAAZFY-NSHDSACASA-N -1 3 382.380 0.730 20 50 GCGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)COCc1ccccc1 ZINC000736185197 944756104 /nfs/dbraw/zinc/75/61/04/944756104.db2.gz TXNATUVDDFDRCK-ZDUSSCGKSA-N -1 3 396.407 0.998 20 50 GCGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)COCc1ccccc1 ZINC000736185197 944756115 /nfs/dbraw/zinc/75/61/15/944756115.db2.gz TXNATUVDDFDRCK-ZDUSSCGKSA-N -1 3 396.407 0.998 20 50 GCGDHM C[C@@H](Oc1ccccc1C#N)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736189945 944757579 /nfs/dbraw/zinc/75/75/79/944757579.db2.gz UWVKGNRROBWCIU-LLVKDONJSA-N -1 3 377.364 0.967 20 50 GCGDHM C[C@@H](Oc1ccccc1C#N)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736189945 944757587 /nfs/dbraw/zinc/75/75/87/944757587.db2.gz UWVKGNRROBWCIU-LLVKDONJSA-N -1 3 377.364 0.967 20 50 GCGDHM C[C@@H]1Oc2c(cccc2C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)NC1=O ZINC000736305712 944794240 /nfs/dbraw/zinc/79/42/40/944794240.db2.gz YYZOCCBBSNTXBG-VIFPVBQESA-N -1 3 393.363 0.661 20 50 GCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736345592 944805487 /nfs/dbraw/zinc/80/54/87/944805487.db2.gz JGIKDLZWINMDEZ-SNVBAGLBSA-N -1 3 389.416 0.086 20 50 GCGDHM CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736413612 944814505 /nfs/dbraw/zinc/81/45/05/944814505.db2.gz SYJQNDSHSJIDEB-LBPRGKRZSA-N -1 3 389.441 0.329 20 50 GCGDHM CCCC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736413612 944814512 /nfs/dbraw/zinc/81/45/12/944814512.db2.gz SYJQNDSHSJIDEB-LBPRGKRZSA-N -1 3 389.441 0.329 20 50 GCGDHM CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736421432 944818097 /nfs/dbraw/zinc/81/80/97/944818097.db2.gz BHGFNXXPDAQAFL-SMDDNHRTSA-N -1 3 385.428 0.665 20 50 GCGDHM CCC[C@H](C)N1C[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736421432 944818107 /nfs/dbraw/zinc/81/81/07/944818107.db2.gz BHGFNXXPDAQAFL-SMDDNHRTSA-N -1 3 385.428 0.665 20 50 GCGDHM CCCC[C@@H](COC)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736439591 944819723 /nfs/dbraw/zinc/81/97/23/944819723.db2.gz XABHTFVDVIENGF-ZDUSSCGKSA-N -1 3 391.432 0.781 20 50 GCGDHM CCCNC(=O)CCCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736483807 944833829 /nfs/dbraw/zinc/83/38/29/944833829.db2.gz PWQITJYFYQZVMR-UHFFFAOYSA-N -1 3 389.416 0.089 20 50 GCGDHM CCOC(=O)C[C@H](C)SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736592969 944851520 /nfs/dbraw/zinc/85/15/20/944851520.db2.gz FYQVNLVXGHYVQO-JTQLQIEISA-N -1 3 392.441 0.703 20 50 GCGDHM CCOC(=O)C[C@H](C)SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736592969 944851529 /nfs/dbraw/zinc/85/15/29/944851529.db2.gz FYQVNLVXGHYVQO-JTQLQIEISA-N -1 3 392.441 0.703 20 50 GCGDHM CCOC(=O)[C@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCO1 ZINC000736594595 944851950 /nfs/dbraw/zinc/85/19/50/944851950.db2.gz SUTQBZNZJPPTGD-LPYTZGJOSA-N -1 3 399.411 0.211 20 50 GCGDHM CCOC(=O)[C@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCO1 ZINC000736594595 944851958 /nfs/dbraw/zinc/85/19/58/944851958.db2.gz SUTQBZNZJPPTGD-LPYTZGJOSA-N -1 3 399.411 0.211 20 50 GCGDHM CCOC(=O)Cc1ncccc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736600755 944851999 /nfs/dbraw/zinc/85/19/99/944851999.db2.gz VSLWHVAAPXDJPD-UHFFFAOYSA-N -1 3 395.379 0.442 20 50 GCGDHM CCOCCN1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000736619455 944856676 /nfs/dbraw/zinc/85/66/76/944856676.db2.gz PFMVLCXUZVMLSQ-LFIBNONCSA-N -1 3 398.471 0.601 20 50 GCGDHM CCc1ccc(C(=O)NNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736686207 944868772 /nfs/dbraw/zinc/86/87/72/944868772.db2.gz KCCRXUPISRRSNX-UHFFFAOYSA-N -1 3 394.395 0.718 20 50 GCGDHM CCc1ccc(C(=O)NNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736686207 944868777 /nfs/dbraw/zinc/86/87/77/944868777.db2.gz KCCRXUPISRRSNX-UHFFFAOYSA-N -1 3 394.395 0.718 20 50 GCGDHM CCc1ccccc1OCC(=O)NN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736702712 944873725 /nfs/dbraw/zinc/87/37/25/944873725.db2.gz VVIUMRKXXJQYRP-QGZVFWFLSA-N -1 3 395.423 0.655 20 50 GCGDHM CCc1ccccc1OCC(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736702712 944873735 /nfs/dbraw/zinc/87/37/35/944873735.db2.gz VVIUMRKXXJQYRP-QGZVFWFLSA-N -1 3 395.423 0.655 20 50 GCGDHM CN(C)CC(=O)NNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736763598 944886457 /nfs/dbraw/zinc/88/64/57/944886457.db2.gz MYDRFXAODOKSPT-UHFFFAOYSA-N -1 3 395.423 0.768 20 50 GCGDHM CN(C)[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736763042 944886591 /nfs/dbraw/zinc/88/65/91/944886591.db2.gz ZSTFZORUWCAXGY-MRXNPFEDSA-N -1 3 379.424 0.801 20 50 GCGDHM CNC(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736883146 944905081 /nfs/dbraw/zinc/90/50/81/944905081.db2.gz UXPWJFOVEIPKFD-UHFFFAOYSA-N -1 3 394.395 0.371 20 50 GCGDHM CNC(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736883146 944905088 /nfs/dbraw/zinc/90/50/88/944905088.db2.gz UXPWJFOVEIPKFD-UHFFFAOYSA-N -1 3 394.395 0.371 20 50 GCGDHM COC(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736935661 944914421 /nfs/dbraw/zinc/91/44/21/944914421.db2.gz KALPTNWNVYZPIT-GFCCVEGCSA-N -1 3 388.388 0.042 20 50 GCGDHM COC(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736935661 944914430 /nfs/dbraw/zinc/91/44/30/944914430.db2.gz KALPTNWNVYZPIT-GFCCVEGCSA-N -1 3 388.388 0.042 20 50 GCGDHM CO[C@@](C)(C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736958085 944919530 /nfs/dbraw/zinc/91/95/30/944919530.db2.gz ZGAHRRNKQYSHNR-LJQANCHMSA-N -1 3 396.407 0.955 20 50 GCGDHM COCCN1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C[C@@H]1C ZINC000737002463 944929251 /nfs/dbraw/zinc/92/92/51/944929251.db2.gz BJZFPIITAQPBRE-LWLPBDFMSA-N -1 3 398.471 0.600 20 50 GCGDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NNC(=O)COc1ccccc1O ZINC000737064106 944941727 /nfs/dbraw/zinc/94/17/27/944941727.db2.gz UGSXRKVYEKUDIC-UHFFFAOYSA-N -1 3 399.367 0.813 20 50 GCGDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NNC(=O)COc1ccccc1O ZINC000737064106 944941732 /nfs/dbraw/zinc/94/17/32/944941732.db2.gz UGSXRKVYEKUDIC-UHFFFAOYSA-N -1 3 399.367 0.813 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(OC)c1OC ZINC000737070653 944942256 /nfs/dbraw/zinc/94/22/56/944942256.db2.gz AAGPACMDLLPFAG-UHFFFAOYSA-N -1 3 398.379 0.967 20 50 GCGDHM COc1ccccc1OCC(=O)NN[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737150955 944969661 /nfs/dbraw/zinc/96/96/61/944969661.db2.gz CFINBUCPUNTZBE-INIZCTEOSA-N -1 3 397.395 0.102 20 50 GCGDHM COc1ccccc1OCC(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737150955 944969668 /nfs/dbraw/zinc/96/96/68/944969668.db2.gz CFINBUCPUNTZBE-INIZCTEOSA-N -1 3 397.395 0.102 20 50 GCGDHM CSCC[C@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737181123 944977226 /nfs/dbraw/zinc/97/72/26/944977226.db2.gz KRRSQCZBXRWQTK-JTQLQIEISA-N -1 3 379.446 0.718 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCN2CCOC2=O)cc(-c2nnn[n-]2)n1C ZINC000737211555 944987032 /nfs/dbraw/zinc/98/70/32/944987032.db2.gz CVMVQAFLJSPGPR-MDWZMJQESA-N -1 3 385.384 0.806 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)OCCCN2CCOC2=O)cc(-c2nn[n-]n2)n1C ZINC000737211555 944987037 /nfs/dbraw/zinc/98/70/37/944987037.db2.gz CVMVQAFLJSPGPR-MDWZMJQESA-N -1 3 385.384 0.806 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@H](n3cncn3)C2)cc(-c2nn[n-]n2)n1C ZINC000737212036 944991598 /nfs/dbraw/zinc/99/15/98/944991598.db2.gz GYCMXQOESNNOMZ-HWIKDYBBSA-N -1 3 392.427 0.876 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc(-c2nnn[n-]2)n1C ZINC000737212547 944995274 /nfs/dbraw/zinc/99/52/74/944995274.db2.gz KVMVLUFPBXFFLW-FYTLYHSASA-N -1 3 389.441 0.066 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000737212547 944995281 /nfs/dbraw/zinc/99/52/81/944995281.db2.gz KVMVLUFPBXFFLW-FYTLYHSASA-N -1 3 389.441 0.066 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCc3n[nH]cc3C2)cc(-c2nn[n-]n2)n1C ZINC000737213533 945003971 /nfs/dbraw/zinc/00/39/71/945003971.db2.gz VCHTXVRDOFXZGY-CLUXPMKYSA-N -1 3 377.412 0.817 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)Cc2ccsc2)cc(-c2nn[n-]n2)n1C ZINC000737213758 945007346 /nfs/dbraw/zinc/00/73/46/945007346.db2.gz WZABSDONWFBVQV-AWNIVKPZSA-N -1 3 396.436 0.872 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)Nc2cccnc2)cc(-c2nn[n-]n2)n1C ZINC000737213766 945007643 /nfs/dbraw/zinc/00/76/43/945007643.db2.gz XBADLIYUQOWISQ-AWNIVKPZSA-N -1 3 391.395 0.571 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCN(C(C)C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000737213830 945009127 /nfs/dbraw/zinc/00/91/27/945009127.db2.gz XRHZNQFYGWNXPC-GUNGLEHYSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCN(C(C)C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000737213830 945009139 /nfs/dbraw/zinc/00/91/39/945009139.db2.gz XRHZNQFYGWNXPC-GUNGLEHYSA-N -1 3 382.428 0.546 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc(-c2nn[n-]n2)n1C ZINC000737213984 945011604 /nfs/dbraw/zinc/01/16/04/945011604.db2.gz ZJXVUBCKYRDYBE-QOBZYLRHSA-N -1 3 396.455 0.354 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000737213993 945011652 /nfs/dbraw/zinc/01/16/52/945011652.db2.gz ZKTRCJWZRHQCMN-QVYJARAXSA-N -1 3 385.428 0.590 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCOC[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000737213993 945011661 /nfs/dbraw/zinc/01/16/61/945011661.db2.gz ZKTRCJWZRHQCMN-QVYJARAXSA-N -1 3 385.428 0.590 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCN2CCCCC2=O)cc(-c2nnn[n-]2)n1C ZINC000737214045 945013546 /nfs/dbraw/zinc/01/35/46/945013546.db2.gz ZUWKDRBHMXBWPX-GDNBJRDFSA-N -1 3 396.455 0.939 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCN2CCCCC2=O)cc(-c2nn[n-]n2)n1C ZINC000737214045 945013557 /nfs/dbraw/zinc/01/35/57/945013557.db2.gz ZUWKDRBHMXBWPX-GDNBJRDFSA-N -1 3 396.455 0.939 20 50 GCGDHM Cc1[nH]nc2nc(C)cc(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)c12 ZINC000737236120 945016081 /nfs/dbraw/zinc/01/60/81/945016081.db2.gz BPNVBQOTGGXXSB-UHFFFAOYSA-N -1 3 377.368 0.830 20 50 GCGDHM Cc1[nH]nc2nc(C)cc(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)c12 ZINC000737236120 945016091 /nfs/dbraw/zinc/01/60/91/945016091.db2.gz BPNVBQOTGGXXSB-UHFFFAOYSA-N -1 3 377.368 0.830 20 50 GCGDHM C[C@H](CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC000820225418 945390240 /nfs/dbraw/zinc/39/02/40/945390240.db2.gz IIPUASYDQXIKQP-GFCCVEGCSA-N -1 3 397.395 0.624 20 50 GCGDHM C[C@H](CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC000820225418 945390246 /nfs/dbraw/zinc/39/02/46/945390246.db2.gz IIPUASYDQXIKQP-GFCCVEGCSA-N -1 3 397.395 0.624 20 50 GCGDHM C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820233194 945392668 /nfs/dbraw/zinc/39/26/68/945392668.db2.gz JKMGKZOSXCFVHD-NEPJUHHUSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820233194 945392673 /nfs/dbraw/zinc/39/26/73/945392673.db2.gz JKMGKZOSXCFVHD-NEPJUHHUSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000820270225 945403833 /nfs/dbraw/zinc/40/38/33/945403833.db2.gz XWMWVAMBSMOVGH-LBPRGKRZSA-N -1 3 396.411 0.775 20 50 GCGDHM C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820299806 945412429 /nfs/dbraw/zinc/41/24/29/945412429.db2.gz KSFFQLPIHGCICQ-LBPRGKRZSA-N -1 3 396.411 0.602 20 50 GCGDHM C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820299806 945412435 /nfs/dbraw/zinc/41/24/35/945412435.db2.gz KSFFQLPIHGCICQ-LBPRGKRZSA-N -1 3 396.411 0.602 20 50 GCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000820375086 945441194 /nfs/dbraw/zinc/44/11/94/945441194.db2.gz XZCIDJGKWSIHAA-LLVKDONJSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@@H](NC(=S)NNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000820541064 945479642 /nfs/dbraw/zinc/47/96/42/945479642.db2.gz AVYJKKXPKPAMBD-ZJUUUORDSA-N -1 3 375.458 0.928 20 50 GCGDHM C[C@@H](NC(=S)NNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000820541064 945479646 /nfs/dbraw/zinc/47/96/46/945479646.db2.gz AVYJKKXPKPAMBD-ZJUUUORDSA-N -1 3 375.458 0.928 20 50 GCGDHM CC1(OCC(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820629517 945501720 /nfs/dbraw/zinc/50/17/20/945501720.db2.gz XLZSUMOYLUARDO-UHFFFAOYSA-N -1 3 388.384 0.130 20 50 GCGDHM CC1(OCC(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820629517 945501726 /nfs/dbraw/zinc/50/17/26/945501726.db2.gz XLZSUMOYLUARDO-UHFFFAOYSA-N -1 3 388.384 0.130 20 50 GCGDHM C[C@H]1CC[C@H](CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820683605 945524881 /nfs/dbraw/zinc/52/48/81/945524881.db2.gz DKBZLOMBNSSMRQ-RYUDHWBXSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@H]1CC[C@H](CC(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820683605 945524887 /nfs/dbraw/zinc/52/48/87/945524887.db2.gz DKBZLOMBNSSMRQ-RYUDHWBXSA-N -1 3 386.412 0.997 20 50 GCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)S1 ZINC000820752704 945551546 /nfs/dbraw/zinc/55/15/46/945551546.db2.gz PUYLEKDUMUXKKR-GHMZBOCLSA-N -1 3 375.458 0.454 20 50 GCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)S1 ZINC000820752704 945551552 /nfs/dbraw/zinc/55/15/52/945551552.db2.gz PUYLEKDUMUXKKR-GHMZBOCLSA-N -1 3 375.458 0.454 20 50 GCGDHM CC[C@@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)O1 ZINC000820973598 945602197 /nfs/dbraw/zinc/60/21/97/945602197.db2.gz YFGIZNRGVAKFEG-OLZOCXBDSA-N -1 3 388.384 0.129 20 50 GCGDHM CC[C@@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)O1 ZINC000820973598 945602206 /nfs/dbraw/zinc/60/22/06/945602206.db2.gz YFGIZNRGVAKFEG-OLZOCXBDSA-N -1 3 388.384 0.129 20 50 GCGDHM CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1 ZINC000820995103 945609748 /nfs/dbraw/zinc/60/97/48/945609748.db2.gz NDFORYMULNXUJC-ZDUSSCGKSA-N -1 3 375.458 0.455 20 50 GCGDHM CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1 ZINC000820995103 945609758 /nfs/dbraw/zinc/60/97/58/945609758.db2.gz NDFORYMULNXUJC-ZDUSSCGKSA-N -1 3 375.458 0.455 20 50 GCGDHM CCN(CC)C(=S)SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821175127 945646572 /nfs/dbraw/zinc/64/65/72/945646572.db2.gz DYTKKFGBBIPBIO-UHFFFAOYSA-N -1 3 393.498 0.988 20 50 GCGDHM CCN(CC)C(=S)SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821175127 945646577 /nfs/dbraw/zinc/64/65/77/945646577.db2.gz DYTKKFGBBIPBIO-UHFFFAOYSA-N -1 3 393.498 0.988 20 50 GCGDHM CCOC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821343565 945675834 /nfs/dbraw/zinc/67/58/34/945675834.db2.gz PPKBPQHKTAGYFL-UHFFFAOYSA-N -1 3 399.367 0.781 20 50 GCGDHM CCOC(=O)c1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821343565 945675841 /nfs/dbraw/zinc/67/58/41/945675841.db2.gz PPKBPQHKTAGYFL-UHFFFAOYSA-N -1 3 399.367 0.781 20 50 GCGDHM CCc1nncn1CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821553887 945714703 /nfs/dbraw/zinc/71/47/03/945714703.db2.gz LOUXONOKZRSRDN-NTUHNPAUSA-N -1 3 380.416 0.391 20 50 GCGDHM CCc1nncn1CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821553887 945714708 /nfs/dbraw/zinc/71/47/08/945714708.db2.gz LOUXONOKZRSRDN-NTUHNPAUSA-N -1 3 380.416 0.391 20 50 GCGDHM CCc1ocnc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821564186 945717427 /nfs/dbraw/zinc/71/74/27/945717427.db2.gz WKPHEEHJAWFEPM-UHFFFAOYSA-N -1 3 385.340 0.035 20 50 GCGDHM CCc1ocnc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821564186 945717431 /nfs/dbraw/zinc/71/74/31/945717431.db2.gz WKPHEEHJAWFEPM-UHFFFAOYSA-N -1 3 385.340 0.035 20 50 GCGDHM CN(C)c1nc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821590687 945730403 /nfs/dbraw/zinc/73/04/03/945730403.db2.gz AXFIQISYWDYAAR-UHFFFAOYSA-N -1 3 387.429 0.533 20 50 GCGDHM CN(C)c1nc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821590687 945730412 /nfs/dbraw/zinc/73/04/12/945730412.db2.gz AXFIQISYWDYAAR-UHFFFAOYSA-N -1 3 387.429 0.533 20 50 GCGDHM CN(CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000821593785 945731559 /nfs/dbraw/zinc/73/15/59/945731559.db2.gz KEUBQNWMKBBHCR-UHFFFAOYSA-N -1 3 393.351 0.220 20 50 GCGDHM CN(CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000821593785 945731565 /nfs/dbraw/zinc/73/15/65/945731565.db2.gz KEUBQNWMKBBHCR-UHFFFAOYSA-N -1 3 393.351 0.220 20 50 GCGDHM CN(CCOC(C)(C)C)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821603872 945740030 /nfs/dbraw/zinc/74/00/30/945740030.db2.gz SEHASNPWMBYTGF-UHFFFAOYSA-N -1 3 375.433 0.375 20 50 GCGDHM CN(CCOC(C)(C)C)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821603872 945740038 /nfs/dbraw/zinc/74/00/38/945740038.db2.gz SEHASNPWMBYTGF-UHFFFAOYSA-N -1 3 375.433 0.375 20 50 GCGDHM CN(CCc1ccccc1)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821605181 945740650 /nfs/dbraw/zinc/74/06/50/945740650.db2.gz YRSKDWPRFOBJHJ-UHFFFAOYSA-N -1 3 379.424 0.802 20 50 GCGDHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000821620771 945750364 /nfs/dbraw/zinc/75/03/64/945750364.db2.gz VAOYMIJMXAEQDP-GTNSWQLSSA-N -1 3 399.415 0.213 20 50 GCGDHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000821620771 945750370 /nfs/dbraw/zinc/75/03/70/945750370.db2.gz VAOYMIJMXAEQDP-GTNSWQLSSA-N -1 3 399.415 0.213 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644532 945768164 /nfs/dbraw/zinc/76/81/64/945768164.db2.gz BWWVJCRQRFAVPH-HOTGVXAUSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644532 945768166 /nfs/dbraw/zinc/76/81/66/945768166.db2.gz BWWVJCRQRFAVPH-HOTGVXAUSA-N -1 3 394.391 0.705 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000821645174 945770616 /nfs/dbraw/zinc/77/06/16/945770616.db2.gz SRBDZSCDTJSVOB-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000821645174 945770621 /nfs/dbraw/zinc/77/06/21/945770621.db2.gz SRBDZSCDTJSVOB-HNNXBMFYSA-N -1 3 377.364 0.887 20 50 GCGDHM COC(=O)[C@@]1(C)CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821651625 945777131 /nfs/dbraw/zinc/77/71/31/945777131.db2.gz CQQLSZNHUFJLBX-JBMKGCFVSA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)[C@@]1(C)CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821651625 945777136 /nfs/dbraw/zinc/77/71/36/945777136.db2.gz CQQLSZNHUFJLBX-JBMKGCFVSA-N -1 3 383.412 0.832 20 50 GCGDHM COC(=O)C[C@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C1CC1 ZINC000821657612 945781358 /nfs/dbraw/zinc/78/13/58/945781358.db2.gz RGOYXKOSFHRXHN-XMRSSTEGSA-N -1 3 383.412 0.879 20 50 GCGDHM COC(=O)C[C@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C1CC1 ZINC000821657612 945781364 /nfs/dbraw/zinc/78/13/64/945781364.db2.gz RGOYXKOSFHRXHN-XMRSSTEGSA-N -1 3 383.412 0.879 20 50 GCGDHM CO[C@H]1C[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000821678576 945797756 /nfs/dbraw/zinc/79/77/56/945797756.db2.gz POAMUUBMVVJYHB-OLZOCXBDSA-N -1 3 389.416 0.389 20 50 GCGDHM CO[C@@H]1C[C@@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000821678575 945799026 /nfs/dbraw/zinc/79/90/26/945799026.db2.gz POAMUUBMVVJYHB-CHWSQXEVSA-N -1 3 389.416 0.389 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821692361 945822020 /nfs/dbraw/zinc/82/20/20/945822020.db2.gz VSDQJZFDAQIBKH-WDEREUQCSA-N -1 3 377.405 0.310 20 50 GCGDHM COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821692361 945822034 /nfs/dbraw/zinc/82/20/34/945822034.db2.gz VSDQJZFDAQIBKH-WDEREUQCSA-N -1 3 377.405 0.310 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000821692286 945823144 /nfs/dbraw/zinc/82/31/44/945823144.db2.gz TUVCJPQLQRNLJB-JTQLQIEISA-N -1 3 394.436 0.627 20 50 GCGDHM COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000821692286 945823157 /nfs/dbraw/zinc/82/31/57/945823157.db2.gz TUVCJPQLQRNLJB-JTQLQIEISA-N -1 3 394.436 0.627 20 50 GCGDHM COCCOC[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821692300 945823879 /nfs/dbraw/zinc/82/38/79/945823879.db2.gz UKUVWOMUTZAURC-GFCCVEGCSA-N -1 3 389.416 0.206 20 50 GCGDHM COCCOC[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821692300 945823892 /nfs/dbraw/zinc/82/38/92/945823892.db2.gz UKUVWOMUTZAURC-GFCCVEGCSA-N -1 3 389.416 0.206 20 50 GCGDHM COCCc1cc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n(C)n1 ZINC000821694711 945826622 /nfs/dbraw/zinc/82/66/22/945826622.db2.gz ZDZMJNXYPLFFPY-QPEQYQDCSA-N -1 3 395.427 0.982 20 50 GCGDHM COCCc1cc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n(C)n1 ZINC000821694711 945826631 /nfs/dbraw/zinc/82/66/31/945826631.db2.gz ZDZMJNXYPLFFPY-QPEQYQDCSA-N -1 3 395.427 0.982 20 50 GCGDHM COc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821882559 945893365 /nfs/dbraw/zinc/89/33/65/945893365.db2.gz DOGGWMYTPXHPPU-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM COc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821882559 945893377 /nfs/dbraw/zinc/89/33/77/945893377.db2.gz DOGGWMYTPXHPPU-UHFFFAOYSA-N -1 3 396.363 0.493 20 50 GCGDHM C[S@](=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821941728 945906551 /nfs/dbraw/zinc/90/65/51/945906551.db2.gz IMDVIZYTCRCZRR-NDEPHWFRSA-N -1 3 399.436 0.748 20 50 GCGDHM C[S@](=O)c1ccc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821941728 945906556 /nfs/dbraw/zinc/90/65/56/945906556.db2.gz IMDVIZYTCRCZRR-NDEPHWFRSA-N -1 3 399.436 0.748 20 50 GCGDHM CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000821949011 945910115 /nfs/dbraw/zinc/91/01/15/945910115.db2.gz FFGQPUZCJNRHDJ-GHMZBOCLSA-N -1 3 391.457 0.860 20 50 GCGDHM CS[C@@H]1CC[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000821949011 945910125 /nfs/dbraw/zinc/91/01/25/945910125.db2.gz FFGQPUZCJNRHDJ-GHMZBOCLSA-N -1 3 391.457 0.860 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000822027393 945932334 /nfs/dbraw/zinc/93/23/34/945932334.db2.gz GVRCDFSNSFLHLA-YFTXEMMHSA-N -1 3 396.411 0.073 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000822027393 945932341 /nfs/dbraw/zinc/93/23/41/945932341.db2.gz GVRCDFSNSFLHLA-YFTXEMMHSA-N -1 3 396.411 0.073 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CO[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822027442 945934649 /nfs/dbraw/zinc/93/46/49/945934649.db2.gz HDCBUXNMJGWLPG-SNOCJVFVSA-N -1 3 385.428 0.731 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CO[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822027442 945934660 /nfs/dbraw/zinc/93/46/60/945934660.db2.gz HDCBUXNMJGWLPG-SNOCJVFVSA-N -1 3 385.428 0.731 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CO[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822027440 945934814 /nfs/dbraw/zinc/93/48/14/945934814.db2.gz HDCBUXNMJGWLPG-IFOOLCPTSA-N -1 3 385.428 0.731 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CO[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822027440 945934820 /nfs/dbraw/zinc/93/48/20/945934820.db2.gz HDCBUXNMJGWLPG-IFOOLCPTSA-N -1 3 385.428 0.731 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CCN([C@H]3CCOC3)CC2)cc(-c2nn[n-]n2)n1C ZINC000822027963 945938374 /nfs/dbraw/zinc/93/83/74/945938374.db2.gz KPDSXDWLIIYGRI-LRQZKABGSA-N -1 3 396.455 0.354 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(C(N)=O)nc2)cc(-c2nn[n-]n2)n1C ZINC000822028251 945941467 /nfs/dbraw/zinc/94/14/67/945941467.db2.gz MRKKSKMUPQHDAY-ACAGNQJTSA-N -1 3 391.395 0.231 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc(-c2nnn[n-]2)n1C ZINC000822028799 945947338 /nfs/dbraw/zinc/94/73/38/945947338.db2.gz SHIYIOXXYXOVBR-IWOOQVRJSA-N -1 3 395.345 0.946 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc(-c2nn[n-]n2)n1C ZINC000822028799 945947346 /nfs/dbraw/zinc/94/73/46/945947346.db2.gz SHIYIOXXYXOVBR-IWOOQVRJSA-N -1 3 395.345 0.946 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCO[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822029088 945952793 /nfs/dbraw/zinc/95/27/93/945952793.db2.gz VNSVGUQPQUHEAJ-CKNOQMABSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCCO[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822029088 945952800 /nfs/dbraw/zinc/95/28/00/945952800.db2.gz VNSVGUQPQUHEAJ-CKNOQMABSA-N -1 3 385.428 0.732 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(CCO)CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822029388 945955474 /nfs/dbraw/zinc/95/54/74/945955474.db2.gz XRXAWTPNTAYXFU-WMBZCPDOSA-N -1 3 385.428 0.326 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(CCO)CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822029388 945955487 /nfs/dbraw/zinc/95/54/87/945955487.db2.gz XRXAWTPNTAYXFU-WMBZCPDOSA-N -1 3 385.428 0.326 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCSCCCO)cc(-c2nnn[n-]2)n1C ZINC000822029424 945955843 /nfs/dbraw/zinc/95/58/43/945955843.db2.gz YMHBMPQCTFNGAR-MDWZMJQESA-N -1 3 375.458 0.652 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCCSCCCO)cc(-c2nn[n-]n2)n1C ZINC000822029424 945955852 /nfs/dbraw/zinc/95/58/52/945955852.db2.gz YMHBMPQCTFNGAR-MDWZMJQESA-N -1 3 375.458 0.652 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000822029449 945957879 /nfs/dbraw/zinc/95/78/79/945957879.db2.gz YWZKKAWCYKPQCD-KYHFQZCVSA-N -1 3 381.400 0.004 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000822029450 945958248 /nfs/dbraw/zinc/95/82/48/945958248.db2.gz YWZKKAWCYKPQCD-VPRWNFCTSA-N -1 3 381.400 0.004 20 50 GCGDHM Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822197787 945983577 /nfs/dbraw/zinc/98/35/77/945983577.db2.gz PHABQGDVWXNOFK-LBPRGKRZSA-N -1 3 383.416 0.772 20 50 GCGDHM Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822197787 945983593 /nfs/dbraw/zinc/98/35/93/945983593.db2.gz PHABQGDVWXNOFK-LBPRGKRZSA-N -1 3 383.416 0.772 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822227308 946007770 /nfs/dbraw/zinc/00/77/70/946007770.db2.gz CUOTWTJCTPPNNF-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822227308 946007777 /nfs/dbraw/zinc/00/77/77/946007777.db2.gz CUOTWTJCTPPNNF-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822227528 946007804 /nfs/dbraw/zinc/00/78/04/946007804.db2.gz LZFOVLJDUHENCY-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822227528 946007809 /nfs/dbraw/zinc/00/78/09/946007809.db2.gz LZFOVLJDUHENCY-UHFFFAOYSA-N -1 3 381.352 0.188 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822227851 946008342 /nfs/dbraw/zinc/00/83/42/946008342.db2.gz YBGQJMPXTUXBRW-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822227851 946008355 /nfs/dbraw/zinc/00/83/55/946008355.db2.gz YBGQJMPXTUXBRW-UHFFFAOYSA-N -1 3 398.354 0.932 20 50 GCGDHM Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822235127 946019398 /nfs/dbraw/zinc/01/93/98/946019398.db2.gz UPIVXJVZWDXSMB-UHFFFAOYSA-N -1 3 395.379 0.117 20 50 GCGDHM Cc1ccc(CC(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822235127 946019411 /nfs/dbraw/zinc/01/94/11/946019411.db2.gz UPIVXJVZWDXSMB-UHFFFAOYSA-N -1 3 395.379 0.117 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000822283824 946043579 /nfs/dbraw/zinc/04/35/79/946043579.db2.gz FCXKLPMMZSTWLF-UHFFFAOYSA-N -1 3 383.368 0.132 20 50 GCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000822283824 946043592 /nfs/dbraw/zinc/04/35/92/946043592.db2.gz FCXKLPMMZSTWLF-UHFFFAOYSA-N -1 3 383.368 0.132 20 50 GCGDHM Cc1cccc2c1CCN(CC(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC000822341024 946057979 /nfs/dbraw/zinc/05/79/79/946057979.db2.gz RAHLWUMUTMYQMQ-UHFFFAOYSA-N -1 3 391.435 0.994 20 50 GCGDHM Cc1cccc2c1CCN(CC(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC000822341024 946057993 /nfs/dbraw/zinc/05/79/93/946057993.db2.gz RAHLWUMUTMYQMQ-UHFFFAOYSA-N -1 3 391.435 0.994 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822355920 946067251 /nfs/dbraw/zinc/06/72/51/946067251.db2.gz BFICRXFBJVRGBV-UHFFFAOYSA-N -1 3 383.368 0.050 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822355920 946067260 /nfs/dbraw/zinc/06/72/60/946067260.db2.gz BFICRXFBJVRGBV-UHFFFAOYSA-N -1 3 383.368 0.050 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822355931 946068422 /nfs/dbraw/zinc/06/84/22/946068422.db2.gz BRTZUOHNKAXSPC-UHFFFAOYSA-N -1 3 394.395 0.393 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822355931 946068435 /nfs/dbraw/zinc/06/84/35/946068435.db2.gz BRTZUOHNKAXSPC-UHFFFAOYSA-N -1 3 394.395 0.393 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000822356073 946068632 /nfs/dbraw/zinc/06/86/32/946068632.db2.gz IKUNUCSKAMNMLF-UHFFFAOYSA-N -1 3 395.379 0.117 20 50 GCGDHM Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000822356073 946068642 /nfs/dbraw/zinc/06/86/42/946068642.db2.gz IKUNUCSKAMNMLF-UHFFFAOYSA-N -1 3 395.379 0.117 20 50 GCGDHM Cc1ccsc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822379187 946077896 /nfs/dbraw/zinc/07/78/96/946077896.db2.gz LWEVCDYSNGLYRQ-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1ccsc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822379187 946077906 /nfs/dbraw/zinc/07/79/06/946077906.db2.gz LWEVCDYSNGLYRQ-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1cscc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822414769 946082888 /nfs/dbraw/zinc/08/28/88/946082888.db2.gz SXMUKPYMSWEBAO-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1cscc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822414769 946082900 /nfs/dbraw/zinc/08/29/00/946082900.db2.gz SXMUKPYMSWEBAO-UHFFFAOYSA-N -1 3 386.393 0.855 20 50 GCGDHM Cc1nc(C)c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822427261 946085778 /nfs/dbraw/zinc/08/57/78/946085778.db2.gz HFRBSIBDMPCWTJ-UHFFFAOYSA-N -1 3 385.340 0.090 20 50 GCGDHM Cc1nc(C)c(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822427261 946085792 /nfs/dbraw/zinc/08/57/92/946085792.db2.gz HFRBSIBDMPCWTJ-UHFFFAOYSA-N -1 3 385.340 0.090 20 50 GCGDHM Cc1nc2n(n1)CCC[C@H]2NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000822463012 946097332 /nfs/dbraw/zinc/09/73/32/946097332.db2.gz MJYRFSHJOACPQS-SVSAJMPUSA-N -1 3 392.427 0.972 20 50 GCGDHM Cc1nc2n(n1)CCC[C@H]2NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000822463012 946097344 /nfs/dbraw/zinc/09/73/44/946097344.db2.gz MJYRFSHJOACPQS-SVSAJMPUSA-N -1 3 392.427 0.972 20 50 GCGDHM Cn1cc(C[C@@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000822673902 946153583 /nfs/dbraw/zinc/15/35/83/946153583.db2.gz GBHGUHHSYUJDBK-LBPRGKRZSA-N -1 3 395.427 0.519 20 50 GCGDHM Cn1cc(C[C@@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000822673902 946153588 /nfs/dbraw/zinc/15/35/88/946153588.db2.gz GBHGUHHSYUJDBK-LBPRGKRZSA-N -1 3 395.427 0.519 20 50 GCGDHM Cn1ccnc(NNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000822693895 946161024 /nfs/dbraw/zinc/16/10/24/946161024.db2.gz NKKRAFGWJLBICG-CYBMUJFWSA-N -1 3 381.400 0.073 20 50 GCGDHM Cn1nc2c(c1C(=O)NNC(=O)COc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000822704136 946161369 /nfs/dbraw/zinc/16/13/69/946161369.db2.gz HOEYQCYCNDZWHB-UHFFFAOYSA-N -1 3 396.411 0.319 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)CCc1ccc(-c3nnn[n-]3)cc1)[nH]c2=O ZINC000822709731 946163177 /nfs/dbraw/zinc/16/31/77/946163177.db2.gz RJCPYNYXXAKIAQ-UHFFFAOYSA-N -1 3 380.372 0.325 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)CCc1ccc(-c3nn[n-]n3)cc1)[nH]c2=O ZINC000822709731 946163183 /nfs/dbraw/zinc/16/31/83/946163183.db2.gz RJCPYNYXXAKIAQ-UHFFFAOYSA-N -1 3 380.372 0.325 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)CSc1ccc(-c3nnn[n-]3)cc1)[nH]c2=O ZINC000822710005 946163485 /nfs/dbraw/zinc/16/34/85/946163485.db2.gz UMUCVZJFLZFHAZ-UHFFFAOYSA-N -1 3 398.412 0.484 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)CSc1ccc(-c3nn[n-]n3)cc1)[nH]c2=O ZINC000822710005 946163493 /nfs/dbraw/zinc/16/34/93/946163493.db2.gz UMUCVZJFLZFHAZ-UHFFFAOYSA-N -1 3 398.412 0.484 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)NCc1cccc(-c3nnn[n-]3)c1)[nH]c2=O ZINC000822710073 946163604 /nfs/dbraw/zinc/16/36/04/946163604.db2.gz XNRLKORYKRIFET-UHFFFAOYSA-N -1 3 381.360 0.075 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)NCc1cccc(-c3nn[n-]n3)c1)[nH]c2=O ZINC000822710073 946163612 /nfs/dbraw/zinc/16/36/12/946163612.db2.gz XNRLKORYKRIFET-UHFFFAOYSA-N -1 3 381.360 0.075 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)NCc1ccc(-c3nnn[n-]3)cc1F)[nH]c2=O ZINC000822710011 946164309 /nfs/dbraw/zinc/16/43/09/946164309.db2.gz UTKGSIXXQFAFSE-UHFFFAOYSA-N -1 3 399.350 0.214 20 50 GCGDHM Cn1ncc2c1nc(NNC(=O)NCc1ccc(-c3nn[n-]n3)cc1F)[nH]c2=O ZINC000822710011 946164316 /nfs/dbraw/zinc/16/43/16/946164316.db2.gz UTKGSIXXQFAFSE-UHFFFAOYSA-N -1 3 399.350 0.214 20 50 GCGDHM NC(=O)c1ccc(OCCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822886035 946211556 /nfs/dbraw/zinc/21/15/56/946211556.db2.gz ZCOZOGVAKMBNOW-UHFFFAOYSA-N -1 3 395.379 0.196 20 50 GCGDHM NC(=O)c1ccc(OCCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822886035 946211565 /nfs/dbraw/zinc/21/15/65/946211565.db2.gz ZCOZOGVAKMBNOW-UHFFFAOYSA-N -1 3 395.379 0.196 20 50 GCGDHM O=C(CCN1C(=O)CCC1=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822965055 946237368 /nfs/dbraw/zinc/23/73/68/946237368.db2.gz YINFRAKCYRBQHK-UHFFFAOYSA-N -1 3 397.317 0.868 20 50 GCGDHM O=C(CCN1C(=O)CCC1=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822965055 946237378 /nfs/dbraw/zinc/23/73/78/946237378.db2.gz YINFRAKCYRBQHK-UHFFFAOYSA-N -1 3 397.317 0.868 20 50 GCGDHM O=C(CN1CC[C@H](c2ccco2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822991289 946248278 /nfs/dbraw/zinc/24/82/78/946248278.db2.gz ACWQAWZFOKDHSO-AWEZNQCLSA-N -1 3 381.396 0.710 20 50 GCGDHM O=C(CN1CCC[C@@H](n2ccnc2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822997908 946260396 /nfs/dbraw/zinc/26/03/96/946260396.db2.gz XLNPDTDVMYWIIT-OAHLLOKOSA-N -1 3 395.427 0.161 20 50 GCGDHM O=C(CN1CCOC2(CCCCC2)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823001602 946261616 /nfs/dbraw/zinc/26/16/16/946261616.db2.gz NWGKNBUEPUKKLN-UHFFFAOYSA-N -1 3 399.455 0.663 20 50 GCGDHM O=C(CN1CCOC2(CCCCC2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823001602 946261625 /nfs/dbraw/zinc/26/16/25/946261625.db2.gz NWGKNBUEPUKKLN-UHFFFAOYSA-N -1 3 399.455 0.663 20 50 GCGDHM O=C(COC(=O)[C@H]1CCCS1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018041 946270937 /nfs/dbraw/zinc/27/09/37/946270937.db2.gz GWSJBTLFLGNHLT-LLVKDONJSA-N -1 3 376.398 0.067 20 50 GCGDHM O=C(COC(=O)[C@H]1CCCS1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018041 946270947 /nfs/dbraw/zinc/27/09/47/946270947.db2.gz GWSJBTLFLGNHLT-LLVKDONJSA-N -1 3 376.398 0.067 20 50 GCGDHM O=C(C=Cc1ccsc1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018580 946273951 /nfs/dbraw/zinc/27/39/51/946273951.db2.gz SFFHQARZZPNSDP-SNAWJCMRSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(C=Cc1ccsc1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018580 946273961 /nfs/dbraw/zinc/27/39/61/946273961.db2.gz SFFHQARZZPNSDP-SNAWJCMRSA-N -1 3 398.404 0.946 20 50 GCGDHM O=C(COC(=O)CCC(F)(F)F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018911 946275038 /nfs/dbraw/zinc/27/50/38/946275038.db2.gz ZTDVQLVNUQDECL-UHFFFAOYSA-N -1 3 386.290 0.513 20 50 GCGDHM O=C(COC(=O)CCC(F)(F)F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018911 946275052 /nfs/dbraw/zinc/27/50/52/946275052.db2.gz ZTDVQLVNUQDECL-UHFFFAOYSA-N -1 3 386.290 0.513 20 50 GCGDHM O=C(COC(=O)CCc1ccccn1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018648 946275298 /nfs/dbraw/zinc/27/52/98/946275298.db2.gz VKQXIRWNWWTSBO-UHFFFAOYSA-N -1 3 395.379 0.199 20 50 GCGDHM O=C(COC(=O)CCc1ccccn1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018648 946275313 /nfs/dbraw/zinc/27/53/13/946275313.db2.gz VKQXIRWNWWTSBO-UHFFFAOYSA-N -1 3 395.379 0.199 20 50 GCGDHM O=C(COC(=O)C[C@@H]1CCCCO1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018826 946275711 /nfs/dbraw/zinc/27/57/11/946275711.db2.gz YLHVNFWURSYXIP-ZDUSSCGKSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(COC(=O)C[C@@H]1CCCCO1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018826 946275718 /nfs/dbraw/zinc/27/57/18/946275718.db2.gz YLHVNFWURSYXIP-ZDUSSCGKSA-N -1 3 388.384 0.130 20 50 GCGDHM O=C(C=Cc1ccccc1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018816 946276043 /nfs/dbraw/zinc/27/60/43/946276043.db2.gz YDXAOAZGRCCDSP-MDZDMXLPSA-N -1 3 392.375 0.884 20 50 GCGDHM O=C(C=Cc1ccccc1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018816 946276050 /nfs/dbraw/zinc/27/60/50/946276050.db2.gz YDXAOAZGRCCDSP-MDZDMXLPSA-N -1 3 392.375 0.884 20 50 GCGDHM O=C(COC(=O)Cc1ccsc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823022638 946278734 /nfs/dbraw/zinc/27/87/34/946278734.db2.gz KMDYRXGZBTYLHJ-UHFFFAOYSA-N -1 3 386.393 0.475 20 50 GCGDHM O=C(COC(=O)Cc1ccsc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823022638 946278742 /nfs/dbraw/zinc/27/87/42/946278742.db2.gz KMDYRXGZBTYLHJ-UHFFFAOYSA-N -1 3 386.393 0.475 20 50 GCGDHM O=C(COC(=O)Cc1ccccc1F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823022952 946279466 /nfs/dbraw/zinc/27/94/66/946279466.db2.gz RTAWHSPEXKXDOE-UHFFFAOYSA-N -1 3 398.354 0.553 20 50 GCGDHM O=C(COC(=O)Cc1ccccc1F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823022952 946279475 /nfs/dbraw/zinc/27/94/75/946279475.db2.gz RTAWHSPEXKXDOE-UHFFFAOYSA-N -1 3 398.354 0.553 20 50 GCGDHM O=C(COC(=O)Cc1ccccc1O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823022555 946279868 /nfs/dbraw/zinc/27/98/68/946279868.db2.gz IOIMPMDESRRHSO-UHFFFAOYSA-N -1 3 396.363 0.119 20 50 GCGDHM O=C(COC(=O)Cc1ccccc1O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823022555 946279881 /nfs/dbraw/zinc/27/98/81/946279881.db2.gz IOIMPMDESRRHSO-UHFFFAOYSA-N -1 3 396.363 0.119 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1csc2cncn21 ZINC000823036467 946285290 /nfs/dbraw/zinc/28/52/90/946285290.db2.gz CTIBKHQLUMOURT-UHFFFAOYSA-N -1 3 384.381 0.416 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccc(F)cc1F ZINC000823036602 946285477 /nfs/dbraw/zinc/28/54/77/946285477.db2.gz IPTLXMWTCDXFGW-UHFFFAOYSA-N -1 3 388.334 0.914 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1COc2ccccc2C1 ZINC000823036577 946286225 /nfs/dbraw/zinc/28/62/25/946286225.db2.gz HYBOXYXGJSRQKS-AWEZNQCLSA-N -1 3 394.391 0.644 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCCCc1ccccn1 ZINC000823037162 946286856 /nfs/dbraw/zinc/28/68/56/946286856.db2.gz RKQRNWWQPHFTGS-UHFFFAOYSA-N -1 3 396.411 0.604 20 50 GCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCCc1cscn1 ZINC000823050099 946296143 /nfs/dbraw/zinc/29/61/43/946296143.db2.gz QCINVNJWXYKMFT-UHFFFAOYSA-N -1 3 388.413 0.275 20 50 GCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCCc1cscn1 ZINC000823050099 946296159 /nfs/dbraw/zinc/29/61/59/946296159.db2.gz QCINVNJWXYKMFT-UHFFFAOYSA-N -1 3 388.413 0.275 20 50 GCGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)s1)c1csc(N2CCOCC2)n1 ZINC000823273119 946372415 /nfs/dbraw/zinc/37/24/15/946372415.db2.gz FBQVWHBVEASONP-UHFFFAOYSA-N -1 3 390.454 0.985 20 50 GCGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-n2cnnn2)cc1 ZINC000823273473 946381944 /nfs/dbraw/zinc/38/19/44/946381944.db2.gz OTBGZQAWXSEDSY-UHFFFAOYSA-N -1 3 378.331 0.745 20 50 GCGDHM O=C(NN=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(-n2cnnn2)cc1 ZINC000823273473 946381955 /nfs/dbraw/zinc/38/19/55/946381955.db2.gz OTBGZQAWXSEDSY-UHFFFAOYSA-N -1 3 378.331 0.745 20 50 GCGDHM O=C(NNC(=O)[C@@H]1COCCO1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823273798 946387451 /nfs/dbraw/zinc/38/74/51/946387451.db2.gz YNKQHMSWQLBGHI-INIZCTEOSA-N -1 3 394.391 0.710 20 50 GCGDHM O=C(NNC(=O)[C@@H]1COCCO1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823273798 946387464 /nfs/dbraw/zinc/38/74/64/946387464.db2.gz YNKQHMSWQLBGHI-INIZCTEOSA-N -1 3 394.391 0.710 20 50 GCGDHM CN(C)S(=O)(=O)c1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)n(C)c1 ZINC000825875431 947353455 /nfs/dbraw/zinc/35/34/55/947353455.db2.gz PHRSACDAYVFIPR-UHFFFAOYSA-N -1 3 390.429 0.212 20 50 GCGDHM CN1c2ccccc2N(C)C1=C(C#N)C(=O)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC000826010280 947402332 /nfs/dbraw/zinc/40/23/32/947402332.db2.gz GWHYUBXNSPVBAA-UHFFFAOYSA-N -1 3 386.379 0.825 20 50 GCGDHM Cc1cc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1O ZINC000826260765 947756087 /nfs/dbraw/zinc/75/60/87/947756087.db2.gz DBGHDVCCYLQALD-UHFFFAOYSA-N -1 3 396.363 0.499 20 50 GCGDHM O=S(=O)(CBr)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826484007 948400295 /nfs/dbraw/zinc/40/02/95/948400295.db2.gz JLTMEIRYZAQCGV-UHFFFAOYSA-N -1 3 387.263 0.671 20 50 GCGDHM O=S(=O)(CBr)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826484007 948400301 /nfs/dbraw/zinc/40/03/01/948400301.db2.gz JLTMEIRYZAQCGV-UHFFFAOYSA-N -1 3 387.263 0.671 20 50 GCGDHM C[C@H](c1cccnc1)N(C)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001575517514 949229290 /nfs/dbraw/zinc/22/92/90/949229290.db2.gz VVDHYQVMNHCNGR-GFCCVEGCSA-N -1 3 380.412 0.716 20 50 GCGDHM C[C@H](c1cccnc1)N(C)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001575517514 949229308 /nfs/dbraw/zinc/22/93/08/949229308.db2.gz VVDHYQVMNHCNGR-GFCCVEGCSA-N -1 3 380.412 0.716 20 50 GCGDHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001576218969 950798571 /nfs/dbraw/zinc/79/85/71/950798571.db2.gz SAQKQADOVOPDOZ-QFYYESIMSA-N -1 3 396.411 0.482 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1OC ZINC001599484094 996815521 /nfs/dbraw/zinc/81/55/21/996815521.db2.gz PVMWRKKEZVAKKU-DJJJIMSYSA-N -1 3 391.424 0.652 20 50 GCGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000824039227 607334981 /nfs/dbraw/zinc/33/49/81/607334981.db2.gz CSBLDFOGUYYVND-HONMWMINSA-N -1 3 383.412 0.874 20 50 GCGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000824039227 607334982 /nfs/dbraw/zinc/33/49/82/607334982.db2.gz CSBLDFOGUYYVND-HONMWMINSA-N -1 3 383.412 0.874 20 50 GCGDHM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406637 607339585 /nfs/dbraw/zinc/33/95/85/607339585.db2.gz GKDSRICBWPZMQM-KBPBESRZSA-N -1 3 383.412 0.875 20 50 GCGDHM CS(=O)(=O)Nc1cccc(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826224294 607345313 /nfs/dbraw/zinc/34/53/13/607345313.db2.gz YDVRZBOCEKAUAB-UHFFFAOYSA-N -1 3 387.425 0.924 20 50 GCGDHM Cc1ccc(-c2nnn(CC(=O)NNc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000826273811 607345733 /nfs/dbraw/zinc/34/57/33/607345733.db2.gz VIAHDFVBBKFVEE-UHFFFAOYSA-N -1 3 376.384 0.972 20 50 GCGDHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826424666 607345783 /nfs/dbraw/zinc/34/57/83/607345783.db2.gz XNXNMXLLUDSLOI-UHFFFAOYSA-N -1 3 378.352 0.426 20 50 GCGDHM CN1C(=O)C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1cccnc1 ZINC000826010436 607347882 /nfs/dbraw/zinc/34/78/82/607347882.db2.gz IXDZCODTSVOWOY-HOCLYGCPSA-N -1 3 378.396 0.924 20 50 GCGDHM O=C(CCn1nnc2ccccc2c1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409509 607349427 /nfs/dbraw/zinc/34/94/27/607349427.db2.gz CPJATDFHTWGBCD-UHFFFAOYSA-N -1 3 377.368 0.505 20 50 GCGDHM Cn1cc([C@@H]2[C@H](C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCC(=O)N2C)cn1 ZINC000826010117 607350394 /nfs/dbraw/zinc/35/03/94/607350394.db2.gz DKSVCLZESAVOHJ-GDBMZVCRSA-N -1 3 395.427 0.653 20 50 GCGDHM O=C(CCCS(=O)(=O)N1CCCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406812 607352984 /nfs/dbraw/zinc/35/29/84/607352984.db2.gz OFLCDUWDSHNXKC-UHFFFAOYSA-N -1 3 379.446 0.516 20 50 GCGDHM CNS(=O)(=O)c1ccc(C)c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826090967 607355192 /nfs/dbraw/zinc/35/51/92/607355192.db2.gz SNPIQSIJNXYBFF-UHFFFAOYSA-N -1 3 387.425 0.840 20 50 GCGDHM CC(C)[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1CCCS1(=O)=O ZINC000824185015 607354770 /nfs/dbraw/zinc/35/47/70/607354770.db2.gz PNDLGVNKYWBYKA-CYBMUJFWSA-N -1 3 379.446 0.370 20 50 GCGDHM CSCCNC(=S)NNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826228914 607783270 /nfs/dbraw/zinc/78/32/70/607783270.db2.gz GKJRLSMTSBYMSO-VIFPVBQESA-N -1 3 381.487 0.492 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2(CO)CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000826236153 607427071 /nfs/dbraw/zinc/42/70/71/607427071.db2.gz ZXZXGCQWZXUBPU-VGOFMYFVSA-N -1 3 385.428 0.326 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NCC2(CO)CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000826236153 607427073 /nfs/dbraw/zinc/42/70/73/607427073.db2.gz ZXZXGCQWZXUBPU-VGOFMYFVSA-N -1 3 385.428 0.326 20 50 GCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000826249507 607462981 /nfs/dbraw/zinc/46/29/81/607462981.db2.gz GGUSUDJVJVAMSW-UHFFFAOYSA-N -1 3 381.400 0.559 20 50 GCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NN=c1nc(N2CCOCC2)cc[nH]1 ZINC000826249507 607462983 /nfs/dbraw/zinc/46/29/83/607462983.db2.gz GGUSUDJVJVAMSW-UHFFFAOYSA-N -1 3 381.400 0.559 20 50 GCGDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826412564 607463804 /nfs/dbraw/zinc/46/38/04/607463804.db2.gz SVVYWLXRCRAGNH-UHFFFAOYSA-N -1 3 382.340 0.648 20 50 GCGDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412564 607463806 /nfs/dbraw/zinc/46/38/06/607463806.db2.gz SVVYWLXRCRAGNH-UHFFFAOYSA-N -1 3 382.340 0.648 20 50 GCGDHM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826412154 607465096 /nfs/dbraw/zinc/46/50/96/607465096.db2.gz DGSYCGFOWLLZTH-UHFFFAOYSA-N -1 3 382.340 0.648 20 50 GCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1OCCc2ccccc21 ZINC000826417583 607541628 /nfs/dbraw/zinc/54/16/28/607541628.db2.gz WUUGPNULVIDIHY-QGZVFWFLSA-N -1 3 394.391 0.707 20 50 GCGDHM COC[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826150531 607561458 /nfs/dbraw/zinc/56/14/58/607561458.db2.gz GTYJDWWRYZUEMY-ZDUSSCGKSA-N -1 3 375.389 0.001 20 50 GCGDHM Cc1cc(C#N)ccc1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826256954 607648297 /nfs/dbraw/zinc/64/82/97/607648297.db2.gz HVGXXHBRHMIVNS-UHFFFAOYSA-N -1 3 377.364 0.887 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444572 607709640 /nfs/dbraw/zinc/70/96/40/607709640.db2.gz LVFUTMXQHULIDI-CABCVRRESA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444572 607709642 /nfs/dbraw/zinc/70/96/42/607709642.db2.gz LVFUTMXQHULIDI-CABCVRRESA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H]([C@H]2CCOC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444468 607709653 /nfs/dbraw/zinc/70/96/53/607709653.db2.gz HTOCVTXFXDAEFL-GJZGRUSLSA-N -1 3 385.428 0.970 20 50 GCGDHM O=C(NNC(=O)N1CCC[C@H]([C@H]2CCOC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444468 607709654 /nfs/dbraw/zinc/70/96/54/607709654.db2.gz HTOCVTXFXDAEFL-GJZGRUSLSA-N -1 3 385.428 0.970 20 50 GCGDHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826327847 607714186 /nfs/dbraw/zinc/71/41/86/607714186.db2.gz WKOARJNICZEVDB-UHFFFAOYSA-N -1 3 393.411 0.744 20 50 GCGDHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826327847 607714188 /nfs/dbraw/zinc/71/41/88/607714188.db2.gz WKOARJNICZEVDB-UHFFFAOYSA-N -1 3 393.411 0.744 20 50 GCGDHM O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409637 607719244 /nfs/dbraw/zinc/71/92/44/607719244.db2.gz ILMUDAGHLPYOOZ-UHFFFAOYSA-N -1 3 399.392 0.155 20 50 GCGDHM O=C(CN1C(=O)c2ccccc2S1(=O)=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409637 607719246 /nfs/dbraw/zinc/71/92/46/607719246.db2.gz ILMUDAGHLPYOOZ-UHFFFAOYSA-N -1 3 399.392 0.155 20 50 GCGDHM O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409985 607719308 /nfs/dbraw/zinc/71/93/08/607719308.db2.gz WZCQSIIVFFYYRO-UHFFFAOYSA-N -1 3 384.400 0.565 20 50 GCGDHM O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409985 607719310 /nfs/dbraw/zinc/71/93/10/607719310.db2.gz WZCQSIIVFFYYRO-UHFFFAOYSA-N -1 3 384.400 0.565 20 50 GCGDHM O=C(CCC(=O)Nc1nnc(C2CC2)o1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404698 607726462 /nfs/dbraw/zinc/72/64/62/607726462.db2.gz JFBCOARXTNJROX-UHFFFAOYSA-N -1 3 383.372 0.989 20 50 GCGDHM O=C(CCC(=O)Nc1nnc(C2CC2)o1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404698 607726465 /nfs/dbraw/zinc/72/64/65/607726465.db2.gz JFBCOARXTNJROX-UHFFFAOYSA-N -1 3 383.372 0.989 20 50 GCGDHM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824109390 607732642 /nfs/dbraw/zinc/73/26/42/607732642.db2.gz OXFOZQKWFNVQMO-ZDUSSCGKSA-N -1 3 389.416 0.946 20 50 GCGDHM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824109390 607732644 /nfs/dbraw/zinc/73/26/44/607732644.db2.gz OXFOZQKWFNVQMO-ZDUSSCGKSA-N -1 3 389.416 0.946 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277791 606791440 /nfs/dbraw/zinc/79/14/40/606791440.db2.gz WWCDPAVYVKTHHT-ZIAGYGMSSA-N -1 3 387.400 0.101 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277791 606791441 /nfs/dbraw/zinc/79/14/41/606791441.db2.gz WWCDPAVYVKTHHT-ZIAGYGMSSA-N -1 3 387.400 0.101 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277786 606791807 /nfs/dbraw/zinc/79/18/07/606791807.db2.gz WWCDPAVYVKTHHT-KGLIPLIRSA-N -1 3 387.400 0.101 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277786 606791809 /nfs/dbraw/zinc/79/18/09/606791809.db2.gz WWCDPAVYVKTHHT-KGLIPLIRSA-N -1 3 387.400 0.101 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277789 606791830 /nfs/dbraw/zinc/79/18/30/606791830.db2.gz WWCDPAVYVKTHHT-UONOGXRCSA-N -1 3 387.400 0.101 20 50 GCGDHM O=C(NNC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277789 606791832 /nfs/dbraw/zinc/79/18/32/606791832.db2.gz WWCDPAVYVKTHHT-UONOGXRCSA-N -1 3 387.400 0.101 20 50 GCGDHM O=Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000823557184 607088013 /nfs/dbraw/zinc/08/80/13/607088013.db2.gz HALJEVLPPDAORA-UHFFFAOYSA-N -1 3 394.347 0.297 20 50 GCGDHM O=Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000823557184 607088014 /nfs/dbraw/zinc/08/80/14/607088014.db2.gz HALJEVLPPDAORA-UHFFFAOYSA-N -1 3 394.347 0.297 20 50 GCGDHM O=Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823557994 607088454 /nfs/dbraw/zinc/08/84/54/607088454.db2.gz YHKFOFVKBHOHDA-UHFFFAOYSA-N -1 3 394.347 0.297 20 50 GCGDHM O=Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823557994 607088455 /nfs/dbraw/zinc/08/84/55/607088455.db2.gz YHKFOFVKBHOHDA-UHFFFAOYSA-N -1 3 394.347 0.297 20 50 GCGDHM CC1(C)C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824790124 607837681 /nfs/dbraw/zinc/83/76/81/607837681.db2.gz KRTKCMXKJWRUKW-NSHDSACASA-N -1 3 389.416 0.534 20 50 GCGDHM CC1(C)C[C@@H](NC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824790124 607837682 /nfs/dbraw/zinc/83/76/82/607837682.db2.gz KRTKCMXKJWRUKW-NSHDSACASA-N -1 3 389.416 0.534 20 50 GCGDHM CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825759695 607854535 /nfs/dbraw/zinc/85/45/35/607854535.db2.gz NZDJZQXXOYGFHP-UHFFFAOYSA-N -1 3 397.443 0.869 20 50 GCGDHM CCc1nn(C)c(CC)c1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825759695 607854536 /nfs/dbraw/zinc/85/45/36/607854536.db2.gz NZDJZQXXOYGFHP-UHFFFAOYSA-N -1 3 397.443 0.869 20 50 GCGDHM CC(=O)N1CC[C@H](CN(C)C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000823974174 607861803 /nfs/dbraw/zinc/86/18/03/607861803.db2.gz NWWXPVYISMQHII-OUAKBRRNSA-N -1 3 396.455 0.747 20 50 GCGDHM CC(=O)N1CC[C@H](CN(C)C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000823974174 607861804 /nfs/dbraw/zinc/86/18/04/607861804.db2.gz NWWXPVYISMQHII-OUAKBRRNSA-N -1 3 396.455 0.747 20 50 GCGDHM CC(=O)N1CC[C@@H](CN(C)C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000823974176 607861806 /nfs/dbraw/zinc/86/18/06/607861806.db2.gz NWWXPVYISMQHII-WBNYAZSOSA-N -1 3 396.455 0.747 20 50 GCGDHM CC(=O)N1CC[C@@H](CN(C)C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000823974176 607861807 /nfs/dbraw/zinc/86/18/07/607861807.db2.gz NWWXPVYISMQHII-WBNYAZSOSA-N -1 3 396.455 0.747 20 50 GCGDHM O=C(NN=Cc1cnc(N2CCOCC2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444899 607888968 /nfs/dbraw/zinc/88/89/68/607888968.db2.gz YRDRMRQRRVRXNL-UHFFFAOYSA-N -1 3 384.425 0.924 20 50 GCGDHM O=C(NN=Cc1cnc(N2CCOCC2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444899 607888969 /nfs/dbraw/zinc/88/89/69/607888969.db2.gz YRDRMRQRRVRXNL-UHFFFAOYSA-N -1 3 384.425 0.924 20 50 GCGDHM O=C(NNC(=O)c1cccc(-n2ccnn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445263 607889803 /nfs/dbraw/zinc/88/98/03/607889803.db2.gz MQVJETQHXPHSPW-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM O=C(NNC(=O)c1cccc(-n2ccnn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445263 607889804 /nfs/dbraw/zinc/88/98/04/607889804.db2.gz MQVJETQHXPHSPW-UHFFFAOYSA-N -1 3 375.352 0.522 20 50 GCGDHM Cn1ccnc1[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826363970 607912111 /nfs/dbraw/zinc/91/21/11/607912111.db2.gz HDTPRUZRRVCUAH-ZDUSSCGKSA-N -1 3 381.400 0.444 20 50 GCGDHM Cn1ccnc1[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826363970 607912112 /nfs/dbraw/zinc/91/21/12/607912112.db2.gz HDTPRUZRRVCUAH-ZDUSSCGKSA-N -1 3 381.400 0.444 20 50 GCGDHM CC(C)CCN(CCC#N)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824248717 607923116 /nfs/dbraw/zinc/92/31/16/607923116.db2.gz AGAIIYWANDIDAF-UHFFFAOYSA-N -1 3 384.444 0.889 20 50 GCGDHM CC(C)CCN(CCC#N)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824248717 607923117 /nfs/dbraw/zinc/92/31/17/607923117.db2.gz AGAIIYWANDIDAF-UHFFFAOYSA-N -1 3 384.444 0.889 20 50 GCGDHM C[C@@H](O)CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824708614 607923177 /nfs/dbraw/zinc/92/31/77/607923177.db2.gz ZEKURSBXLWCLMK-CYBMUJFWSA-N -1 3 395.423 0.515 20 50 GCGDHM C[C@@H](O)CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824708614 607923178 /nfs/dbraw/zinc/92/31/78/607923178.db2.gz ZEKURSBXLWCLMK-CYBMUJFWSA-N -1 3 395.423 0.515 20 50 GCGDHM CC[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC000825133138 607928067 /nfs/dbraw/zinc/92/80/67/607928067.db2.gz JVKFLOBLGZFEIA-ZIAGYGMSSA-N -1 3 389.416 0.534 20 50 GCGDHM O=C(CN1CC=C(C(F)(F)F)CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409534 607942384 /nfs/dbraw/zinc/94/23/84/607942384.db2.gz DJKREABJMYRFGN-UHFFFAOYSA-N -1 3 395.345 0.822 20 50 GCGDHM O=C(CN1CC=C(C(F)(F)F)CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409534 607942385 /nfs/dbraw/zinc/94/23/85/607942385.db2.gz DJKREABJMYRFGN-UHFFFAOYSA-N -1 3 395.345 0.822 20 50 GCGDHM COC1CCC(CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826144203 607964764 /nfs/dbraw/zinc/96/47/64/607964764.db2.gz DOAKOQHXDHZBSB-UHFFFAOYSA-N -1 3 388.428 0.988 20 50 GCGDHM Cc1c(CCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826236391 607965163 /nfs/dbraw/zinc/96/51/63/607965163.db2.gz KDAWSAQIRHVTPM-UHFFFAOYSA-N -1 3 384.400 0.068 20 50 GCGDHM CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825499613 608022661 /nfs/dbraw/zinc/02/26/61/608022661.db2.gz OYQVRQISWUZXIX-JTQLQIEISA-N -1 3 375.389 0.400 20 50 GCGDHM CCOC(=O)C[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825499613 608022662 /nfs/dbraw/zinc/02/26/62/608022662.db2.gz OYQVRQISWUZXIX-JTQLQIEISA-N -1 3 375.389 0.400 20 50 GCGDHM CCOC(=O)CC[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825505953 608033631 /nfs/dbraw/zinc/03/36/31/608033631.db2.gz AAWJOIUDMBVAFN-SNVBAGLBSA-N -1 3 375.389 0.543 20 50 GCGDHM CCOC(=O)CC[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825505953 608033632 /nfs/dbraw/zinc/03/36/32/608033632.db2.gz AAWJOIUDMBVAFN-SNVBAGLBSA-N -1 3 375.389 0.543 20 50 GCGDHM O=C(CN1CC[C@@H](C(F)(F)F)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410734 608041495 /nfs/dbraw/zinc/04/14/95/608041495.db2.gz WRGZZRFOTSSMGU-LLVKDONJSA-N -1 3 383.334 0.512 20 50 GCGDHM O=C(CN1CC[C@@H](C(F)(F)F)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410734 608041496 /nfs/dbraw/zinc/04/14/96/608041496.db2.gz WRGZZRFOTSSMGU-LLVKDONJSA-N -1 3 383.334 0.512 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235784 608078874 /nfs/dbraw/zinc/07/88/74/608078874.db2.gz QYHWYYRGXRNEOG-LZTOIUFZSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235784 608078875 /nfs/dbraw/zinc/07/88/75/608078875.db2.gz QYHWYYRGXRNEOG-LZTOIUFZSA-N -1 3 383.334 0.850 20 50 GCGDHM COc1c2cnn(C)c2ncc1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826166597 608134526 /nfs/dbraw/zinc/13/45/26/608134526.db2.gz SCMVHAGGSZDOQS-UHFFFAOYSA-N -1 3 393.367 0.232 20 50 GCGDHM Cc1ccncc1C=CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826315580 608143431 /nfs/dbraw/zinc/14/34/31/608143431.db2.gz NEANQVDWFZMLCO-DAXSKMNVSA-N -1 3 379.380 0.810 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)CC(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235731 608182288 /nfs/dbraw/zinc/18/22/88/608182288.db2.gz PUYUORWKOWOIAS-CGXZDELUSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)CC(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235731 608182289 /nfs/dbraw/zinc/18/22/89/608182289.db2.gz PUYUORWKOWOIAS-CGXZDELUSA-N -1 3 383.334 0.850 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCc2cnccn2)cc(-c2nnn[n-]2)n1C ZINC000826235250 608198622 /nfs/dbraw/zinc/19/86/22/608198622.db2.gz GDBUIXUJCVTCGP-ZSOIEALJSA-N -1 3 377.412 0.912 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCc2cnccn2)cc(-c2nn[n-]n2)n1C ZINC000826235250 608198624 /nfs/dbraw/zinc/19/86/24/608198624.db2.gz GDBUIXUJCVTCGP-ZSOIEALJSA-N -1 3 377.412 0.912 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826235586 608202730 /nfs/dbraw/zinc/20/27/30/608202730.db2.gz MPJOWDZRXXMRQP-FCYZUNEYSA-N -1 3 397.439 0.875 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235586 608202732 /nfs/dbraw/zinc/20/27/32/608202732.db2.gz MPJOWDZRXXMRQP-FCYZUNEYSA-N -1 3 397.439 0.875 20 50 GCGDHM C[C@H]1C[C@@H](CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824885009 608204003 /nfs/dbraw/zinc/20/40/03/608204003.db2.gz QNYVCMTWGYCXPG-RYUDHWBXSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H]1C[C@@H](CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824885009 608204005 /nfs/dbraw/zinc/20/40/05/608204005.db2.gz QNYVCMTWGYCXPG-RYUDHWBXSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H]1C[C@@H](CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824885924 608204121 /nfs/dbraw/zinc/20/41/21/608204121.db2.gz VEPPEGOHRURKPE-RYUDHWBXSA-N -1 3 389.416 0.391 20 50 GCGDHM C[C@H](c1cccnc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824770338 608259958 /nfs/dbraw/zinc/25/99/58/608259958.db2.gz JBTKIHDBFFMTIV-GFCCVEGCSA-N -1 3 380.412 0.716 20 50 GCGDHM C[C@H](c1cccnc1)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824770338 608259960 /nfs/dbraw/zinc/25/99/60/608259960.db2.gz JBTKIHDBFFMTIV-GFCCVEGCSA-N -1 3 380.412 0.716 20 50 GCGDHM COCCCOCCN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826156766 608335969 /nfs/dbraw/zinc/33/59/69/608335969.db2.gz SJRVBFRSQHESMH-XNTDXEJSSA-N -1 3 387.444 0.932 20 50 GCGDHM COCCCOCCN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826156766 608335971 /nfs/dbraw/zinc/33/59/71/608335971.db2.gz SJRVBFRSQHESMH-XNTDXEJSSA-N -1 3 387.444 0.932 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(-c2nc[nH]n2)c1 ZINC000826445476 608452107 /nfs/dbraw/zinc/45/21/07/608452107.db2.gz WDVDDZVGRGOGHM-UHFFFAOYSA-N -1 3 375.352 0.727 20 50 GCGDHM CN(CCc1ccccn1)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825946323 608455237 /nfs/dbraw/zinc/45/52/37/608455237.db2.gz SJWPEQFBNIZNKK-UHFFFAOYSA-N -1 3 380.412 0.197 20 50 GCGDHM CN(CCc1ccccn1)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825946323 608455239 /nfs/dbraw/zinc/45/52/39/608455239.db2.gz SJWPEQFBNIZNKK-UHFFFAOYSA-N -1 3 380.412 0.197 20 50 GCGDHM C[C@@H]1CC(NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000824892264 608492673 /nfs/dbraw/zinc/49/26/73/608492673.db2.gz GDRYOBNRIQSXHC-GHMZBOCLSA-N -1 3 389.416 0.532 20 50 GCGDHM CC[C@@H](CSC)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825126143 608538301 /nfs/dbraw/zinc/53/83/01/608538301.db2.gz HOGWNHRKGDUKAV-JTQLQIEISA-N -1 3 379.446 0.718 20 50 GCGDHM CC[C@@H](CSC)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825126143 608538302 /nfs/dbraw/zinc/53/83/02/608538302.db2.gz HOGWNHRKGDUKAV-JTQLQIEISA-N -1 3 379.446 0.718 20 50 GCGDHM CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826146397 608538336 /nfs/dbraw/zinc/53/83/36/608538336.db2.gz VINLEFROAYBBRV-JSGCOSHPSA-N -1 3 389.416 0.391 20 50 GCGDHM CNS(=O)(=O)c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826091003 608814090 /nfs/dbraw/zinc/81/40/90/608814090.db2.gz ULXCOOMCLOGMAZ-UHFFFAOYSA-N -1 3 388.413 0.923 20 50 GCGDHM CNS(=O)(=O)c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826091003 608814093 /nfs/dbraw/zinc/81/40/93/608814093.db2.gz ULXCOOMCLOGMAZ-UHFFFAOYSA-N -1 3 388.413 0.923 20 50 GCGDHM O=C(Cn1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1)NC1CC1 ZINC000826424580 608814608 /nfs/dbraw/zinc/81/46/08/608814608.db2.gz SLRYKHWDSBGLID-UHFFFAOYSA-N -1 3 382.388 0.490 20 50 GCGDHM O=C(Cn1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1)NC1CC1 ZINC000826424580 608814612 /nfs/dbraw/zinc/81/46/12/608814612.db2.gz SLRYKHWDSBGLID-UHFFFAOYSA-N -1 3 382.388 0.490 20 50 GCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccn(CCN2CCOCC2)n1 ZINC000826448225 608816174 /nfs/dbraw/zinc/81/61/74/608816174.db2.gz MWGVTZIOWFZBGG-UHFFFAOYSA-N -1 3 398.431 0.544 20 50 GCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccn(CCN2CCOCC2)n1 ZINC000826448225 608816176 /nfs/dbraw/zinc/81/61/76/608816176.db2.gz MWGVTZIOWFZBGG-UHFFFAOYSA-N -1 3 398.431 0.544 20 50 GCGDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC=C(C#N)CC1 ZINC000824634284 609164377 /nfs/dbraw/zinc/16/43/77/609164377.db2.gz VFMDWRGGPPAPOU-NSHDSACASA-N -1 3 387.425 0.216 20 50 GCGDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC=C(C#N)CC1 ZINC000824634284 609164378 /nfs/dbraw/zinc/16/43/78/609164378.db2.gz VFMDWRGGPPAPOU-NSHDSACASA-N -1 3 387.425 0.216 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000826187545 609182819 /nfs/dbraw/zinc/18/28/19/609182819.db2.gz VNAWNUPYKWNMQU-OAHLLOKOSA-N -1 3 398.379 0.379 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826187545 609182821 /nfs/dbraw/zinc/18/28/21/609182821.db2.gz VNAWNUPYKWNMQU-OAHLLOKOSA-N -1 3 398.379 0.379 20 50 GCGDHM COC1(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000826143970 609187747 /nfs/dbraw/zinc/18/77/47/609187747.db2.gz YNSWGYGXNSGPAN-UHFFFAOYSA-N -1 3 375.389 0.145 20 50 GCGDHM O=C(NCCc1cccs1)NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826440079 609214335 /nfs/dbraw/zinc/21/43/35/609214335.db2.gz XSDZDZVRLUHJRA-CYBMUJFWSA-N -1 3 387.425 0.535 20 50 GCGDHM O=C(NCCc1cccs1)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826440079 609214337 /nfs/dbraw/zinc/21/43/37/609214337.db2.gz XSDZDZVRLUHJRA-CYBMUJFWSA-N -1 3 387.425 0.535 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000826187371 609225820 /nfs/dbraw/zinc/22/58/20/609225820.db2.gz NBPDGMIZGPGUEO-HNNXBMFYSA-N -1 3 398.379 0.379 20 50 GCGDHM COc1ccc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000826187371 609225822 /nfs/dbraw/zinc/22/58/22/609225822.db2.gz NBPDGMIZGPGUEO-HNNXBMFYSA-N -1 3 398.379 0.379 20 50 GCGDHM O=C(NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2ncccc21 ZINC000826444508 609226315 /nfs/dbraw/zinc/22/63/15/609226315.db2.gz JUDRUJLIGSRRIP-INIZCTEOSA-N -1 3 389.375 0.910 20 50 GCGDHM O=C(NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2ncccc21 ZINC000826444508 609226317 /nfs/dbraw/zinc/22/63/17/609226317.db2.gz JUDRUJLIGSRRIP-INIZCTEOSA-N -1 3 389.375 0.910 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235160 609295249 /nfs/dbraw/zinc/29/52/49/609295249.db2.gz DJTKLXJEMUFJNU-JOTVYFQTSA-N -1 3 383.334 0.802 20 50 GCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235160 609295251 /nfs/dbraw/zinc/29/52/51/609295251.db2.gz DJTKLXJEMUFJNU-JOTVYFQTSA-N -1 3 383.334 0.802 20 50 GCGDHM COCCNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826160413 609302850 /nfs/dbraw/zinc/30/28/50/609302850.db2.gz QQHLUPXPQSNBQD-ZROIWOOFSA-N -1 3 378.396 0.937 20 50 GCGDHM COCCNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826160413 609302853 /nfs/dbraw/zinc/30/28/53/609302853.db2.gz QQHLUPXPQSNBQD-ZROIWOOFSA-N -1 3 378.396 0.937 20 50 GCGDHM O=C(CN1CCC[C@@H]1c1ncc[nH]1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410263 609370317 /nfs/dbraw/zinc/37/03/17/609370317.db2.gz IEYBKRCAMLWXDL-CYBMUJFWSA-N -1 3 381.400 0.188 20 50 GCGDHM O=C(CN1CCC[C@@H]1c1ncc[nH]1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410263 609370320 /nfs/dbraw/zinc/37/03/20/609370320.db2.gz IEYBKRCAMLWXDL-CYBMUJFWSA-N -1 3 381.400 0.188 20 50 GCGDHM CN(C)CC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825854927 609404211 /nfs/dbraw/zinc/40/42/11/609404211.db2.gz FAUFMBGGKQDGOA-UHFFFAOYSA-N -1 3 381.396 0.982 20 50 GCGDHM CN(C)CC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825854927 609404215 /nfs/dbraw/zinc/40/42/15/609404215.db2.gz FAUFMBGGKQDGOA-UHFFFAOYSA-N -1 3 381.396 0.982 20 50 GCGDHM CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825643788 609410449 /nfs/dbraw/zinc/41/04/49/609410449.db2.gz UYMKGHFGSBRSOJ-SNVBAGLBSA-N -1 3 385.384 0.822 20 50 GCGDHM CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825643788 609410451 /nfs/dbraw/zinc/41/04/51/609410451.db2.gz UYMKGHFGSBRSOJ-SNVBAGLBSA-N -1 3 385.384 0.822 20 50 GCGDHM COc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1-n1cnnn1 ZINC000826187221 609416906 /nfs/dbraw/zinc/41/69/06/609416906.db2.gz GLMZHWBVEYRMIM-UHFFFAOYSA-N -1 3 378.356 0.608 20 50 GCGDHM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824772651 609446201 /nfs/dbraw/zinc/44/62/01/609446201.db2.gz WLYSPQUWPFXUMS-MLGOLLRUSA-N -1 3 395.423 0.975 20 50 GCGDHM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824772651 609446203 /nfs/dbraw/zinc/44/62/03/609446203.db2.gz WLYSPQUWPFXUMS-MLGOLLRUSA-N -1 3 395.423 0.975 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000826445074 609446518 /nfs/dbraw/zinc/44/65/18/609446518.db2.gz GBEQCJQNMBSKLN-OAHLLOKOSA-N -1 3 399.386 0.553 20 50 GCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000826445074 609446519 /nfs/dbraw/zinc/44/65/19/609446519.db2.gz GBEQCJQNMBSKLN-OAHLLOKOSA-N -1 3 399.386 0.553 20 50 GCGDHM Cc1ccccc1[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826306391 609446778 /nfs/dbraw/zinc/44/67/78/609446778.db2.gz XRGOOARNZRGUBE-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM Cc1ccccc1[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826306391 609446781 /nfs/dbraw/zinc/44/67/81/609446781.db2.gz XRGOOARNZRGUBE-OAHLLOKOSA-N -1 3 381.396 0.853 20 50 GCGDHM CCOC(=O)C(C#N)=CN[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825486412 609504071 /nfs/dbraw/zinc/50/40/71/609504071.db2.gz RCUYAYNEAOPOLR-FQNOHDAGSA-N -1 3 381.396 0.922 20 50 GCGDHM CCOC(=O)C(C#N)=CN[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825486412 609504072 /nfs/dbraw/zinc/50/40/72/609504072.db2.gz RCUYAYNEAOPOLR-FQNOHDAGSA-N -1 3 381.396 0.922 20 50 GCGDHM NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826389042 609505099 /nfs/dbraw/zinc/50/50/99/609505099.db2.gz OVNOJLWLXXASOM-CQSZACIVSA-N -1 3 399.386 0.102 20 50 GCGDHM NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826389042 609505100 /nfs/dbraw/zinc/50/51/00/609505100.db2.gz OVNOJLWLXXASOM-CQSZACIVSA-N -1 3 399.386 0.102 20 50 GCGDHM COC(=O)CNC(=O)NN=C(C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826138263 609523565 /nfs/dbraw/zinc/52/35/65/609523565.db2.gz MUQCAOQWIXRULG-UHFFFAOYSA-N -1 3 397.399 0.557 20 50 GCGDHM CCC[C@H]1C[C@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825254216 609533860 /nfs/dbraw/zinc/53/38/60/609533860.db2.gz RIYNJXLOEYKIGW-HIFRSBDPSA-N -1 3 388.428 0.988 20 50 GCGDHM O=C(NC[C@H](O)CCc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826432416 609608802 /nfs/dbraw/zinc/60/88/02/609608802.db2.gz AESCTHRIEPVBTE-MRXNPFEDSA-N -1 3 395.423 0.804 20 50 GCGDHM O=C(NC[C@H](O)CCc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826432416 609608803 /nfs/dbraw/zinc/60/88/03/609608803.db2.gz AESCTHRIEPVBTE-MRXNPFEDSA-N -1 3 395.423 0.804 20 50 GCGDHM