smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1C[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737541175 945092137 /nfs/dbraw/zinc/09/21/37/945092137.db2.gz ZAJMUNVZWNTHRF-VIFPVBQESA-N 0 0 384.400 1.047 20 50 GDGDRN O=C(C=Cc1ccc2ccccc2n1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737796039 945125369 /nfs/dbraw/zinc/12/53/69/945125369.db2.gz DZHYKBHCYYBKHF-ZHACJKMWSA-N 0 0 385.387 1.889 20 50 GDGDRN O=C(CN1CCC[C@H]1c1ccco1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737876150 945142548 /nfs/dbraw/zinc/14/25/48/945142548.db2.gz HKSJRNXOQZLJTB-AWEZNQCLSA-N 0 0 381.396 1.058 20 50 GDGDRN O=C(COCc1ccccc1)NNC(=S)Nc1ccccc1-c1nn[nH]n1 ZINC000737915527 945150520 /nfs/dbraw/zinc/15/05/20/945150520.db2.gz CWYXHTDBBZNATD-UHFFFAOYSA-N 0 0 383.437 1.401 20 50 GDGDRN O=C(Cc1coc(-c2cccs2)n1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737977378 945171646 /nfs/dbraw/zinc/17/16/46/945171646.db2.gz BRFCTFYLVQFXLA-UHFFFAOYSA-N 0 0 395.404 1.587 20 50 GDGDRN O=C(NC[C@H]1CCCc2ccccc21)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738050118 945177133 /nfs/dbraw/zinc/17/71/33/945177133.db2.gz NVJWHOUNLVXPIB-MRXNPFEDSA-N 0 0 391.435 1.931 20 50 GDGDRN O=C(NN=Cc1ccc(C(=O)NC2CC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738128415 945194612 /nfs/dbraw/zinc/19/46/12/945194612.db2.gz BNUJCSPVTBNDDM-UHFFFAOYSA-N 0 0 375.392 1.523 20 50 GDGDRN O=C(NN=Cc1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC000738129203 945199144 /nfs/dbraw/zinc/19/91/44/945199144.db2.gz QHYYNINSTVJDJZ-UHFFFAOYSA-N 0 0 395.398 1.606 20 50 GDGDRN O=C(NN[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738134407 945218376 /nfs/dbraw/zinc/21/83/76/945218376.db2.gz LUCJGGJSVIZUJF-INIZCTEOSA-N 0 0 395.398 1.260 20 50 GDGDRN O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000738135683 945227144 /nfs/dbraw/zinc/22/71/44/945227144.db2.gz AWYKVFDYOXJRMH-UHFFFAOYSA-N 0 0 392.335 1.331 20 50 GDGDRN O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738135676 945227658 /nfs/dbraw/zinc/22/76/58/945227658.db2.gz AVHZVOJAVXAHKR-RYUDHWBXSA-N 0 0 397.361 1.932 20 50 GDGDRN O=C(NNC(=O)c1cc(=O)c2ccccc2o1)c1cccc(-c2nn[nH]n2)c1 ZINC000738136203 945231989 /nfs/dbraw/zinc/23/19/89/945231989.db2.gz HVZFJDMINRZFPB-UHFFFAOYSA-N 0 0 376.332 1.048 20 50 GDGDRN O=C(NNC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000738136361 945233797 /nfs/dbraw/zinc/23/37/97/945233797.db2.gz KTHSXASCHAQLLS-LLVKDONJSA-N 0 0 383.334 1.495 20 50 GDGDRN O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738137053 945240629 /nfs/dbraw/zinc/24/06/29/945240629.db2.gz MCEGBRJZHBBDBY-UHFFFAOYSA-N 0 0 399.436 1.064 20 50 GDGDRN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)c1cccc(C#N)c1 ZINC000820001618 945326192 /nfs/dbraw/zinc/32/61/92/945326192.db2.gz VKBJVCKBGXGDOV-UHFFFAOYSA-N 0 0 391.391 1.357 20 50 GDGDRN CC(C)[C@H]1OCCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820044955 945337208 /nfs/dbraw/zinc/33/72/08/945337208.db2.gz JTVASMRAQNPZPV-LSDHHAIUSA-N 0 0 387.444 1.262 20 50 GDGDRN CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(N2CCOCC2)c1 ZINC000735451291 944661546 /nfs/dbraw/zinc/66/15/46/944661546.db2.gz XGYMBXNATUXKTL-UHFFFAOYSA-N 0 0 391.435 1.857 20 50 GDGDRN CC(C)CCC(=O)NNC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735796110 944701481 /nfs/dbraw/zinc/70/14/81/944701481.db2.gz UDCFXUZOBAGVOT-UHFFFAOYSA-N 0 0 386.460 1.166 20 50 GDGDRN CC(C)Oc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cn1 ZINC000735913924 944712348 /nfs/dbraw/zinc/71/23/48/944712348.db2.gz DVHAVFHAFIUBAB-UHFFFAOYSA-N 0 0 396.411 1.193 20 50 GDGDRN C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc(O)c1 ZINC000736119231 944742386 /nfs/dbraw/zinc/74/23/86/944742386.db2.gz ROTDKSVNHSGYKT-NSHDSACASA-N 0 0 397.395 1.043 20 50 GDGDRN CC[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000736311940 944796085 /nfs/dbraw/zinc/79/60/85/944796085.db2.gz CPMLBTNPWSPDRF-UKRRQHHQSA-N 0 0 394.435 1.975 20 50 GDGDRN CCCC[C@H](NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cc(C)on1 ZINC000736438100 944820148 /nfs/dbraw/zinc/82/01/48/944820148.db2.gz LNSKFDIRANGYAZ-AWEZNQCLSA-N 0 0 398.427 1.595 20 50 GDGDRN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736479404 944831533 /nfs/dbraw/zinc/83/15/33/944831533.db2.gz GTJVHQNYNZGLMC-UHFFFAOYSA-N 0 0 394.439 1.457 20 50 GDGDRN CCCNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000736488305 944833637 /nfs/dbraw/zinc/83/36/37/944833637.db2.gz NZQJNZSOPPQWER-UHFFFAOYSA-N 0 0 393.407 1.081 20 50 GDGDRN CCN(C)c1ccccc1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736511843 944837545 /nfs/dbraw/zinc/83/75/45/944837545.db2.gz LMGDPYGEVPXAMJ-UHFFFAOYSA-N 0 0 394.439 1.467 20 50 GDGDRN COC(=O)[C@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736894461 944906326 /nfs/dbraw/zinc/90/63/26/944906326.db2.gz CWAGQQCMWXFGQH-CQSZACIVSA-N 0 0 386.799 1.669 20 50 GDGDRN COC(=O)[C@H](NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000736896266 944907764 /nfs/dbraw/zinc/90/77/64/944907764.db2.gz HLEHRWKVUNCQBD-CQSZACIVSA-N 0 0 386.799 1.669 20 50 GDGDRN CO[C@H](CNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C)C(F)(F)F ZINC000736959388 944919023 /nfs/dbraw/zinc/91/90/23/944919023.db2.gz BTSPVNLNDBJCOI-GFSSTFBJSA-N 0 0 383.334 1.114 20 50 GDGDRN COc1cc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc(OC)c1OC ZINC000737044762 944940490 /nfs/dbraw/zinc/94/04/90/944940490.db2.gz ROJZDFVIRYKDQF-UHFFFAOYSA-N 0 0 382.380 1.656 20 50 GDGDRN COc1ccc(C(=O)NN=Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OC ZINC000737067293 944942085 /nfs/dbraw/zinc/94/20/85/944942085.db2.gz LHLSWTVKPRVIOA-UHFFFAOYSA-N 0 0 382.380 1.656 20 50 GDGDRN COc1ccc(C(C)=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1NC(C)=O ZINC000737073795 944944100 /nfs/dbraw/zinc/94/41/00/944944100.db2.gz SYQORLSFESUTKU-UHFFFAOYSA-N 0 0 393.407 1.988 20 50 GDGDRN COc1ccc(C=NNC(=O)CN2CCCc3ccccc32)cc1-c1nn[nH]n1 ZINC000737081514 944952546 /nfs/dbraw/zinc/95/25/46/944952546.db2.gz OGTDMOKJYJCJCR-UHFFFAOYSA-N 0 0 391.435 1.778 20 50 GDGDRN COc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000737133038 944966322 /nfs/dbraw/zinc/96/63/22/944966322.db2.gz WAKODKPBLKZRNQ-LBPRGKRZSA-N 0 0 396.407 1.242 20 50 GDGDRN COc1ccccc1CC(C)(C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737151439 944971040 /nfs/dbraw/zinc/97/10/40/944971040.db2.gz CGKFPKJZPBADBL-UHFFFAOYSA-N 0 0 394.435 1.905 20 50 GDGDRN COc1ccccc1C[C@@H](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737153684 944971947 /nfs/dbraw/zinc/97/19/47/944971947.db2.gz UDOSHOJRSPDNBJ-CYBMUJFWSA-N 0 0 394.435 1.905 20 50 GDGDRN CS[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000737169842 944975031 /nfs/dbraw/zinc/97/50/31/944975031.db2.gz FMLZNUAQOWCHDM-OLZOCXBDSA-N 0 0 375.458 1.485 20 50 GDGDRN Cc1c(C=C(C#N)C(=O)NCCC(=O)OC(C)(C)C)cc(-c2nn[nH]n2)n1C ZINC000737212365 944993331 /nfs/dbraw/zinc/99/33/31/944993331.db2.gz IJGCCCHOMCOHBX-MDWZMJQESA-N 0 0 385.428 1.269 20 50 GDGDRN Cc1c(C=C(C#N)C(=O)Nc2nc3c(s2)COCC3)cc(-c2nn[nH]n2)n1C ZINC000737213355 945001083 /nfs/dbraw/zinc/00/10/83/945001083.db2.gz RQRUCXWMHLMAMS-VZUCSPMQSA-N 0 0 396.436 1.589 20 50 GDGDRN Cc1c(C=C(C#N)C(=O)NCc2cn3c(n2)CCCC3)cc(-c2nn[nH]n2)n1C ZINC000737214060 945013910 /nfs/dbraw/zinc/01/39/10/945013910.db2.gz ZZWGLRJHQMUBEP-AUWJEWJLSA-N 0 0 391.439 1.270 20 50 GDGDRN C[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)Sc1ccccc1 ZINC000820269042 945402510 /nfs/dbraw/zinc/40/25/10/945402510.db2.gz GDIGNYYDPHFKJN-LBPRGKRZSA-N 0 0 397.464 1.992 20 50 GDGDRN C[C@@H](NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820373239 945433856 /nfs/dbraw/zinc/43/38/56/945433856.db2.gz GSAVTRHLAYEHID-SNVBAGLBSA-N 0 0 396.367 1.480 20 50 GDGDRN C[C@H](NC(=O)NNC(=O)COCc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820373901 945436295 /nfs/dbraw/zinc/43/62/95/945436295.db2.gz LBCFDEHNLGJNND-ZDUSSCGKSA-N 0 0 395.423 1.475 20 50 GDGDRN CCCOc1ccc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1OC ZINC000821127200 945637685 /nfs/dbraw/zinc/63/76/85/945637685.db2.gz CNMSVWKLNOULEU-UHFFFAOYSA-N 0 0 399.411 1.077 20 50 GDGDRN CCOC(=O)[C@H](NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000821319640 945668950 /nfs/dbraw/zinc/66/89/50/945668950.db2.gz GOSOUKBPCAEEQR-QGZVFWFLSA-N 0 0 396.407 1.171 20 50 GDGDRN CCO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C12CCC2 ZINC000821359328 945678915 /nfs/dbraw/zinc/67/89/15/945678915.db2.gz NOQSEPCUARRLBH-KBPBESRZSA-N 0 0 385.428 1.158 20 50 GDGDRN CCOc1ccc(COC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)nc1 ZINC000821422021 945692403 /nfs/dbraw/zinc/69/24/03/945692403.db2.gz KBTQILFPXBHDRY-VGOFMYFVSA-N 0 0 393.407 1.958 20 50 GDGDRN CCOc1ccc(NC(=S)NNC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1 ZINC000821422011 945693391 /nfs/dbraw/zinc/69/33/91/945693391.db2.gz JUWASAIGIYRDKR-UHFFFAOYSA-N 0 0 386.441 1.235 20 50 GDGDRN CCc1ccc([C@@H](COC)NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821482663 945706973 /nfs/dbraw/zinc/70/69/73/945706973.db2.gz UTLLJIMMGDQTEX-CQSZACIVSA-N 0 0 399.411 1.354 20 50 GDGDRN CN(CCOCc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821603680 945741080 /nfs/dbraw/zinc/74/10/80/945741080.db2.gz JQMFOCJACUAXDG-UHFFFAOYSA-N 0 0 395.423 1.370 20 50 GDGDRN COc1ccc(OCC(=O)NN=Cc2c[nH]c3ccc(-c4nn[nH]n4)cc23)cc1 ZINC000821843074 945884464 /nfs/dbraw/zinc/88/44/64/945884464.db2.gz YKJULPFHKMMEKA-UHFFFAOYSA-N 0 0 391.391 1.886 20 50 GDGDRN Cc1c2ccccc2[nH]c(=O)c1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822020873 945922992 /nfs/dbraw/zinc/92/29/92/945922992.db2.gz LTXMNWRWJSDWLP-UHFFFAOYSA-N 0 0 389.375 1.504 20 50 GDGDRN Cc1c(NC(=O)NNC(=O)COc2ccccc2O)cccc1-c1nn[nH]n1 ZINC000822105661 945962274 /nfs/dbraw/zinc/96/22/74/945962274.db2.gz WFDKCCVDMCLWDL-UHFFFAOYSA-N 0 0 383.368 1.112 20 50 GDGDRN Cc1cc(C)cc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822196538 945979500 /nfs/dbraw/zinc/97/95/00/945979500.db2.gz MVLONBXOLFQCEA-UHFFFAOYSA-N 0 0 394.391 1.102 20 50 GDGDRN Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC000822227267 946009047 /nfs/dbraw/zinc/00/90/47/946009047.db2.gz BLFGEZTZAOKDEG-UHFFFAOYSA-N 0 0 394.391 1.102 20 50 GDGDRN Cc1ccccc1CC(=O)NNC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000822351805 946064459 /nfs/dbraw/zinc/06/44/59/946064459.db2.gz RBDORHRXZRMJCR-CYBMUJFWSA-N 0 0 380.408 1.333 20 50 GDGDRN Cn1cc(-c2nn[nH]n2)cc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1 ZINC000822645467 946141978 /nfs/dbraw/zinc/14/19/78/946141978.db2.gz AEJZKBOBQDKRSH-UHFFFAOYSA-N 0 0 379.302 1.299 20 50 GDGDRN O=C(COCC(F)(F)F)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000823031961 946283674 /nfs/dbraw/zinc/28/36/74/946283674.db2.gz LFVVRLKNZUJOBC-UHFFFAOYSA-N 0 0 384.240 1.908 20 50 GDGDRN O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000823036365 946283743 /nfs/dbraw/zinc/28/37/43/946283743.db2.gz AIPVLUBMLXLBRK-BPLDGKMQSA-N 0 0 399.455 1.545 20 50 GDGDRN O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000823037423 946289696 /nfs/dbraw/zinc/28/96/96/946289696.db2.gz XTEXDXZJPDRHGR-HOTGVXAUSA-N 0 0 399.455 1.545 20 50 GDGDRN 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KJDDNKUURPZPIG-UHFFFAOYSA-N 0 0 383.290 1.704 20 50 GDGDRN Cc1ccc(C(=O)NNC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC000822226339 946004723 /nfs/dbraw/zinc/00/47/23/946004723.db2.gz NHXCQFABAJTEIT-UHFFFAOYSA-N 0 0 396.407 1.499 20 50 GDGDRN Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2cccc(C)c2)cc(-c2nn[nH]n2)n1C ZINC000822288969 946045548 /nfs/dbraw/zinc/04/55/48/946045548.db2.gz OHHHUHWRWMCANJ-WHMKARLCSA-N 0 0 391.435 1.579 20 50 GDGDRN Cc1ccccc1O[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822362380 946071702 /nfs/dbraw/zinc/07/17/02/946071702.db2.gz QVBVRBGZNDCQLO-CYBMUJFWSA-N 0 0 395.423 1.587 20 50 GDGDRN Cc1nn(C)cc1[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822496338 946105067 /nfs/dbraw/zinc/10/50/67/946105067.db2.gz JRZRTQRSUWTDDQ-OAHLLOKOSA-N 0 0 395.427 1.100 20 50 GDGDRN Nc1cc(C(=O)NN=C2CCCc3cc(-c4nn[nH]n4)ccc32)cc([N+](=O)[O-])c1 ZINC000822907534 946216037 /nfs/dbraw/zinc/21/60/37/946216037.db2.gz RKFYTHGHLPMYGP-UHFFFAOYSA-N 0 0 392.379 1.828 20 50 GDGDRN O=C(CCCNC(=O)C1CC1)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000822958819 946232483 /nfs/dbraw/zinc/23/24/83/946232483.db2.gz INCDGZKHKZLVJZ-UHFFFAOYSA-N 0 0 397.361 1.635 20 50 GDGDRN O=C(CCCc1ccc(F)c(F)c1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822958721 946234005 /nfs/dbraw/zinc/23/40/05/946234005.db2.gz DJOLGOWVWTVCRF-UHFFFAOYSA-N 0 0 386.362 1.929 20 50 GDGDRN O=C(CN1CCCc2c(F)cccc21)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822997902 946260800 /nfs/dbraw/zinc/26/08/00/946260800.db2.gz XLFUYRYEFAZGPL-UHFFFAOYSA-N 0 0 395.398 1.220 20 50 GDGDRN O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)c1ccnn1C1CCCC1 ZINC000823037352 946289874 /nfs/dbraw/zinc/28/98/74/946289874.db2.gz WAPQWUUVBQPCDI-UHFFFAOYSA-N 0 0 396.411 1.018 20 50 GDGDRN O=C(COc1ccccc1-c1nn[nH]n1)NNC(=O)N[C@@H]1CC2CCC1CC2 ZINC000823050447 946296607 /nfs/dbraw/zinc/29/66/07/946296607.db2.gz ZWRXNJCOSAYAFY-ORHYLEIMSA-N 0 0 385.428 1.155 20 50 GDGDRN O=C(Cc1cc(-c2ccccc2)on1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823074036 946303267 /nfs/dbraw/zinc/30/32/67/946303267.db2.gz JIXQBMUUTZUWEU-UHFFFAOYSA-N 0 0 389.375 1.525 20 50 GDGDRN O=C(Cc1cccc(-c2nn[nH]n2)c1)NNC(=O)NCc1ccc(Cl)cc1 ZINC000823103904 946309446 /nfs/dbraw/zinc/30/94/46/946309446.db2.gz ODUPPQPNAGGSGL-UHFFFAOYSA-N 0 0 385.815 1.593 20 50 GDGDRN O=C(NCCNc1ncccc1-c1nn[nH]n1)NNc1cccc(F)c1F ZINC000823206170 946344655 /nfs/dbraw/zinc/34/46/55/946344655.db2.gz MKICSWPMBATGGT-UHFFFAOYSA-N 0 0 375.343 1.278 20 50 GDGDRN CC(C)c1ccccc1C(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001574420430 948796531 /nfs/dbraw/zinc/79/65/31/948796531.db2.gz UTFRBDMDWAQYMU-UHFFFAOYSA-N 0 0 380.408 1.830 20 50 GDGDRN CC(C)(C(=O)NCCSS(C)(=O)=O)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001573782762 949135000 /nfs/dbraw/zinc/13/50/00/949135000.db2.gz XYJOATMVFMCKSI-UHFFFAOYSA-N 0 0 387.462 1.092 20 50 GDGDRN CC(C)(C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1F ZINC001573783166 949141105 /nfs/dbraw/zinc/14/11/05/949141105.db2.gz VFWZCNJVMMPIOU-UHFFFAOYSA-N 0 0 386.362 1.884 20 50 GDGDRN 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GDGDRN O=C(NCCc1c[nH]c2ccccc12)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738087611 945184571 /nfs/dbraw/zinc/18/45/71/945184571.db2.gz HOLQQIVCRGDRSS-UHFFFAOYSA-N 0 0 390.407 1.535 20 50 GDGDRN O=C(NN=C1CCOc2cc3c(cc21)OCO3)c1cccc(-c2nn[nH]n2)c1 ZINC000738128441 945194441 /nfs/dbraw/zinc/19/44/41/945194441.db2.gz BXDIFXWQJHFZST-UHFFFAOYSA-N 0 0 378.348 1.512 20 50 GDGDRN O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000738130541 945211510 /nfs/dbraw/zinc/21/15/10/945211510.db2.gz RPGZQPMCUYSPAT-OLZOCXBDSA-N 0 0 384.346 1.710 20 50 GDGDRN O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CCOc2ccc(F)cc21 ZINC000738136343 945234458 /nfs/dbraw/zinc/23/44/58/945234458.db2.gz KAEYPAOPSYPQDN-AWEZNQCLSA-N 0 0 397.370 1.474 20 50 GDGDRN CC(=O)N1CCC[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000819796910 945294968 /nfs/dbraw/zinc/29/49/68/945294968.db2.gz QRTBPQZZKZNHBD-SNVBAGLBSA-N 0 0 397.361 1.587 20 50 GDGDRN CC(=O)Nc1cncc(C(=O)NN=C2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000819827067 945296599 /nfs/dbraw/zinc/29/65/99/945296599.db2.gz QWKDCYKEADIOHL-UHFFFAOYSA-N 0 0 390.407 1.691 20 50 GDGDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820005192 945326494 /nfs/dbraw/zinc/32/64/94/945326494.db2.gz MPIJRUKNKGABNE-UHFFFAOYSA-N 0 0 391.391 1.357 20 50 GDGDRN CC(C)CC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820051357 945339598 /nfs/dbraw/zinc/33/95/98/945339598.db2.gz NZSXJWCVLLAYOE-UHFFFAOYSA-N 0 0 388.428 1.243 20 50 GDGDRN C=CC[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccncc1 ZINC000735410358 944647664 /nfs/dbraw/zinc/64/76/64/944647664.db2.gz ZTOMURHJVBFGKX-OAHLLOKOSA-N 0 0 378.396 1.523 20 50 GDGDRN C=CCN(Cc1cccs1)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000735426362 944650518 /nfs/dbraw/zinc/65/05/18/944650518.db2.gz QARPVRGHSAYXRD-UHFFFAOYSA-N 0 0 383.437 1.971 20 50 GDGDRN CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000735662666 944686429 /nfs/dbraw/zinc/68/64/29/944686429.db2.gz VXFWYYGYMKPCED-UHFFFAOYSA-N 0 0 393.411 1.761 20 50 GDGDRN CC(C)(CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1F ZINC000735670105 944687067 /nfs/dbraw/zinc/68/70/67/944687067.db2.gz CSKOXNVBKBJHGG-UHFFFAOYSA-N 0 0 397.414 1.928 20 50 GDGDRN CC(C)c1ccc(OCC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000735928122 944715377 /nfs/dbraw/zinc/71/53/77/944715377.db2.gz FYMYAGJPOGRRGF-UHFFFAOYSA-N 0 0 380.408 1.830 20 50 GDGDRN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736481015 944831555 /nfs/dbraw/zinc/83/15/55/944831555.db2.gz QRTOMUHIARBDRO-UHFFFAOYSA-N 0 0 394.439 1.457 20 50 GDGDRN CCN(CC)[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736532802 944841427 /nfs/dbraw/zinc/84/14/27/944841427.db2.gz CVSUCNXYYNIUFO-QGZVFWFLSA-N 0 0 393.451 1.711 20 50 GDGDRN CN(NC(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1ccccc1 ZINC000736842746 944898973 /nfs/dbraw/zinc/89/89/73/944898973.db2.gz WLUVWCFTKYJVSU-UHFFFAOYSA-N 0 0 393.455 1.581 20 50 GDGDRN COC(=O)[C@@H](NNC(=O)COc1cccc(C)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736898076 944907440 /nfs/dbraw/zinc/90/74/40/944907440.db2.gz OUSJUVZTDMUGEV-KRWDZBQOSA-N 0 0 396.407 1.089 20 50 GDGDRN COC(=O)[C@H](NNC(=O)Cc1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736897479 944908409 /nfs/dbraw/zinc/90/84/09/944908409.db2.gz NATTYOWHMLVZFW-MRXNPFEDSA-N 0 0 384.371 1.083 20 50 GDGDRN COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)NNC(=O)CC(C)(C)C ZINC000737032182 944936943 /nfs/dbraw/zinc/93/69/43/944936943.db2.gz FDZXBIFVPAHABA-UHFFFAOYSA-N 0 0 390.444 1.618 20 50 GDGDRN COc1ccc(CCNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000737089134 944957912 /nfs/dbraw/zinc/95/79/12/944957912.db2.gz PTMRUBIJJQHYNK-UHFFFAOYSA-N 0 0 399.386 1.201 20 50 GDGDRN Cc1c(C=C(C#N)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)cc(C#N)n1C ZINC000737212815 944996181 /nfs/dbraw/zinc/99/61/81/944996181.db2.gz MRSFNBVMWFGJEX-WCSRMQSCSA-N 0 0 390.382 1.748 20 50 GDGDRN Cc1ccc(C)c(CC(=O)NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737323770 945038813 /nfs/dbraw/zinc/03/88/13/945038813.db2.gz WYFLQZKQGQNNTC-UHFFFAOYSA-N 0 0 380.408 1.252 20 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GDGDRN CC1CCC2(CC1)OC[C@H](CNC(=O)NNc1cccc(-c3nn[nH]n3)c1)O2 ZINC000824915857 609284818 /nfs/dbraw/zinc/28/48/18/609284818.db2.gz IRZGEUBHYWJSNO-KVIBHRHWSA-N 0 0 387.444 1.815 20 50 GDGDRN Cc1ccc(NCC(=O)NNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1 ZINC000826291856 609287450 /nfs/dbraw/zinc/28/74/50/609287450.db2.gz ZBIGFBOZQTWJOV-UHFFFAOYSA-N 0 0 385.815 1.702 20 50 GDGDRN CN(NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[nH]n2)c1)C(N)=O ZINC000826004338 609395022 /nfs/dbraw/zinc/39/50/22/609395022.db2.gz STJQYMHJZRMJQJ-UHFFFAOYSA-N 0 0 387.787 1.968 20 50 GDGDRN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)NNc1cc(Cl)ccn1 ZINC000826174891 609398744 /nfs/dbraw/zinc/39/87/44/609398744.db2.gz MMQTYVULCBIQFF-UHFFFAOYSA-N 0 0 375.776 1.446 20 50 GDGDRN Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)cc(-c2nn[nH]n2)n1C ZINC000826235919 609405168 /nfs/dbraw/zinc/40/51/68/609405168.db2.gz UPYWRCZRGRNJOZ-KTHCSPGMSA-N 0 0 383.456 1.430 20 50 GDGDRN COc1cc(C(=O)NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)ccc1OC(C)C ZINC000826176890 609410262 /nfs/dbraw/zinc/41/02/62/609410262.db2.gz IVOCBCANVCBCGT-UHFFFAOYSA-N 0 0 385.384 1.065 20 50 GDGDRN CC(=O)N1CCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c2ccccc2C1 ZINC000823974809 609412126 /nfs/dbraw/zinc/41/21/26/609412126.db2.gz SKOKQULELULOAK-UHFFFAOYSA-N 0 0 389.419 1.753 20 50 GDGDRN