smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCC(=O)c1ccc2c(c1)CCCC2)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826404869 607347034 /nfs/dbraw/zinc/34/70/34/607347034.db2.gz OHLBZEARKLQGPE-UHFFFAOYSA-N 0 0 390.447 2.852 20 50 GFGDRN O=C(CCOc1ccc(F)c(Cl)c1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826408047 607347104 /nfs/dbraw/zinc/34/71/04/607347104.db2.gz NKALPPJYLDMLNV-UHFFFAOYSA-N 0 0 376.779 2.571 20 50 GFGDRN Cc1ccc([C@H]2OCCC[C@H]2C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826285557 607351697 /nfs/dbraw/zinc/35/16/97/607351697.db2.gz CPWDIPHCLWKVIG-QZTJIDSGSA-N 0 0 378.436 2.786 20 50 GFGDRN CCn1c(C)cc2c1CCC[C@H]2NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825782331 607568898 /nfs/dbraw/zinc/56/88/98/607568898.db2.gz CTKRTFSESIMNLW-MRXNPFEDSA-N 0 0 380.456 2.700 20 50 GFGDRN Cc1cccc(-c2nc(CC(=O)NNc3cccc(-c4nn[nH]n4)c3)cs2)c1 ZINC000826295530 607713989 /nfs/dbraw/zinc/71/39/89/607713989.db2.gz LLJCZOIITBLRHY-UHFFFAOYSA-N 0 0 391.460 2.984 20 50 GFGDRN O=C(CCc1cccc(Br)c1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826409195 607716077 /nfs/dbraw/zinc/71/60/77/607716077.db2.gz MQDRKUXLAJJLTE-UHFFFAOYSA-N 0 0 387.241 2.705 20 50 GFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1[nH]c2ccccc2c1Br ZINC000826448083 607726879 /nfs/dbraw/zinc/72/68/79/607726879.db2.gz HRUGRTXDXFZYHG-UHFFFAOYSA-N 0 0 398.224 2.867 20 50 GFGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000823281113 606127435 /nfs/dbraw/zinc/12/74/35/606127435.db2.gz MKRBLKVVMVXRBB-UHFFFAOYSA-N 0 0 383.721 2.691 20 50 GFGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccc2c(c1)CCO2 ZINC000823281206 606127691 /nfs/dbraw/zinc/12/76/91/606127691.db2.gz OCFPBCWDOXPCOF-UHFFFAOYSA-N 0 0 390.325 2.577 20 50 GFGDRN COc1cc(Cl)c(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000826179848 607816308 /nfs/dbraw/zinc/81/63/08/607816308.db2.gz HRZWQQNYPXNMFQ-UHFFFAOYSA-N 0 0 391.218 2.946 20 50 GFGDRN CC(C)c1ccc(CC=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824348074 608015260 /nfs/dbraw/zinc/01/52/60/608015260.db2.gz YRCGBQILLHLDCP-UHFFFAOYSA-N 0 0 378.436 2.714 20 50 GFGDRN CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nn[nH]n2)s1 ZINC000823953667 608094329 /nfs/dbraw/zinc/09/43/29/608094329.db2.gz KXZNZUYAVGPKLQ-UHFFFAOYSA-N 0 0 378.364 2.684 20 50 GFGDRN O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNc1c(Cl)cc(F)cc1Cl ZINC000826422327 608452120 /nfs/dbraw/zinc/45/21/20/608452120.db2.gz UZRKXWXLZRUZLA-UHFFFAOYSA-N 0 0 381.198 2.998 20 50 GFGDRN C[C@H](c1ccccc1)n1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)n1 ZINC000824771151 608815477 /nfs/dbraw/zinc/81/54/77/608815477.db2.gz PRNBVECQLGJNSU-CYBMUJFWSA-N 0 0 389.423 2.821 20 50 GFGDRN Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)nn1-c1cc(C)cc(C)c1 ZINC000826263517 609260025 /nfs/dbraw/zinc/26/00/25/609260025.db2.gz FSDGHMACVKDQRU-UHFFFAOYSA-N 0 0 388.435 2.735 20 50 GFGDRN CCOc1ccc(C(=O)NN=C(C)c2ccc(-c3nn[nH]n3)cc2F)cc1OC ZINC000825632017 609276246 /nfs/dbraw/zinc/27/62/46/609276246.db2.gz JNTHGXZWPFYJLE-UHFFFAOYSA-N 0 0 398.398 2.567 20 50 GFGDRN Cc1c(C=C(C#N)C(=O)N2CC=C(c3ccccc3C)C2)cc(-c2nn[nH]n2)n1C ZINC000826306715 609502840 /nfs/dbraw/zinc/50/28/40/609502840.db2.gz JBEKPFRJACVVAS-ZDLGFXPLSA-N 0 0 399.458 2.655 20 50 GFGDRN CCCCNC(=O)NNC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000106018404 655101029 /nfs/dbraw/zinc/10/10/29/655101029.db2.gz CVIXIVPSDJVPAR-UHFFFAOYSA-N 0 0 394.273 2.687 20 50 GFGDRN CC(C)n1nc(CN(C)C)c2c1CN(c1ncccc1NC(=O)CCl)CC2 ZINC001164651243 719314449 /nfs/dbraw/zinc/31/44/49/719314449.db2.gz INMXVBHNYZGQTM-UHFFFAOYSA-N 0 0 390.919 2.661 20 50 GFGDRN CCc1c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cnn1-c1ccc(C)cc1 ZINC000825688249 607345623 /nfs/dbraw/zinc/34/56/23/607345623.db2.gz VIGSQNQBAFCNCB-UHFFFAOYSA-N 0 0 388.435 2.680 20 50 GFGDRN Cc1ncc(C=CC(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)s1 ZINC000826329923 607395074 /nfs/dbraw/zinc/39/50/74/607395074.db2.gz YDPSWNICLKAHGZ-HWKANZROSA-N 0 0 395.370 2.807 20 50 GFGDRN O=C(CCc1ccc(-c2nn[nH]n2)cc1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826408862 607397463 /nfs/dbraw/zinc/39/74/63/607397463.db2.gz XZXNSMFTYHPEBV-UHFFFAOYSA-N 0 0 387.787 2.504 20 50 GFGDRN Cc1nc(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)c(C)s1 ZINC000826323777 607756136 /nfs/dbraw/zinc/75/61/36/607756136.db2.gz QTTLFMAROUHARP-UHFFFAOYSA-N 0 0 383.359 2.716 20 50 GFGDRN O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=Cc1c(Cl)oc2ccccc12 ZINC000826417174 608054269 /nfs/dbraw/zinc/05/42/69/608054269.db2.gz GVAGSHFMWRPUPT-UHFFFAOYSA-N 0 0 396.794 2.795 20 50 GFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000826447943 608270189 /nfs/dbraw/zinc/27/01/89/608270189.db2.gz BSEMWBFHQMOHDI-UHFFFAOYSA-N 0 0 385.338 2.829 20 50 GFGDRN CC(C)(C)NC(=O)c1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824092859 608803507 /nfs/dbraw/zinc/80/35/07/608803507.db2.gz AWUVTHNPPZPHQU-UHFFFAOYSA-N 0 0 394.439 2.544 20 50 GFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccc(N2CCSCC2)cc1 ZINC000826448450 608815749 /nfs/dbraw/zinc/81/57/49/608815749.db2.gz WBYFAARETBKTRF-UHFFFAOYSA-N 0 0 396.480 2.569 20 50 GFGDRN CC(C)Oc1ccc(NC(=O)NNc2cccc(C#N)c2)cc1-c1nn[nH]n1 ZINC000824328851 608815886 /nfs/dbraw/zinc/81/58/86/608815886.db2.gz CALOYKNZWWLOEH-UHFFFAOYSA-N 0 0 378.396 2.674 20 50 GFGDRN CC(=NNC(=O)c1cccc2ncccc21)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823953561 609159226 /nfs/dbraw/zinc/15/92/26/609159226.db2.gz GUZDIYPLQRWOIR-UHFFFAOYSA-N 0 0 375.367 2.708 20 50 GFGDRN CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000823948559 609275293 /nfs/dbraw/zinc/27/52/93/609275293.db2.gz RYCKJQGPXJBPLQ-UHFFFAOYSA-N 0 0 388.790 2.578 20 50 GFGDRN O=C(CSc1nc2ccccc2s1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826421598 607339540 /nfs/dbraw/zinc/33/95/40/607339540.db2.gz PQZCYIUNMOVDHY-UHFFFAOYSA-N 0 0 383.462 2.712 20 50 GFGDRN CCOc1ccccc1OCCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825659197 607340540 /nfs/dbraw/zinc/34/05/40/607340540.db2.gz PWBUHVLHDAFSKY-UHFFFAOYSA-N 0 0 382.424 2.568 20 50 GFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1(c2cccc(Br)c2)CC1 ZINC000826446692 607349920 /nfs/dbraw/zinc/34/99/20/607349920.db2.gz UZLYZOMKFDNCRS-UHFFFAOYSA-N 0 0 399.252 2.804 20 50 GFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccnc(OCc2ccccc2)c1 ZINC000826449416 607720196 /nfs/dbraw/zinc/72/01/96/607720196.db2.gz RHLADNFSALFQIB-UHFFFAOYSA-N 0 0 387.403 2.598 20 50 GFGDRN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826269733 607725689 /nfs/dbraw/zinc/72/56/89/607725689.db2.gz VLCUETJXCOXDDM-UHFFFAOYSA-N 0 0 399.480 2.978 20 50 GFGDRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826331687 607728100 /nfs/dbraw/zinc/72/81/00/607728100.db2.gz UIHRLJAHZUVMBD-UHFFFAOYSA-N 0 0 392.398 2.565 20 50 GFGDRN N#Cc1cccc(NNC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cn3)cc2)c1 ZINC000826386991 607729804 /nfs/dbraw/zinc/72/98/04/607729804.db2.gz BFRHJAQOSZYRJR-UHFFFAOYSA-N 0 0 398.386 2.683 20 50 GFGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1cccc2c[nH]nc21 ZINC000823280692 606127563 /nfs/dbraw/zinc/12/75/63/606127563.db2.gz FCSPDMWWSHOLEM-UHFFFAOYSA-N 0 0 388.313 2.519 20 50 GFGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000823280592 606129273 /nfs/dbraw/zinc/12/92/73/606129273.db2.gz CLCNKFGDWPMQEW-UHFFFAOYSA-N 0 0 384.268 2.921 20 50 GFGDRN CC(C)(C)OC(=O)c1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824114163 608163997 /nfs/dbraw/zinc/16/39/97/608163997.db2.gz LTUJRBBNQJNHBX-UHFFFAOYSA-N 0 0 380.408 2.579 20 50 GFGDRN Cc1cn2c(/C=C(/C#N)C(=O)c3cccc(-c4nn[nH]n4)c3)c(C)nc2s1 ZINC000826317105 608214758 /nfs/dbraw/zinc/21/47/58/608214758.db2.gz MZPWNQZGSLFRNC-AUWJEWJLSA-N 0 0 375.417 2.983 20 50 GFGDRN CCc1ccnc(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)c1 ZINC000825728560 608553586 /nfs/dbraw/zinc/55/35/86/608553586.db2.gz PTGVSADHWKTEDR-UHFFFAOYSA-N 0 0 377.330 2.600 20 50 GFGDRN CC(C)C(=O)Nc1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824185386 608803435 /nfs/dbraw/zinc/80/34/35/608803435.db2.gz YDCSNFMFAMEUSF-UHFFFAOYSA-N 0 0 380.412 2.610 20 50 GFGDRN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000824173420 609262209 /nfs/dbraw/zinc/26/22/09/609262209.db2.gz YJBIBFAUAYJKAL-UHFFFAOYSA-N 0 0 389.419 2.716 20 50 GFGDRN COc1ccc2[nH]c(=NNC(=O)c3ccc(-c4nn[nH]n4)s3)c(C)cc2c1 ZINC000826213899 609400985 /nfs/dbraw/zinc/40/09/85/609400985.db2.gz QQJTVLJWHDEPAH-UHFFFAOYSA-N 0 0 381.421 2.550 20 50 GFGDRN COc1ccc(C(=O)NNC(=O)c2csc(Br)c2)c(OC)c1 ZINC000105963870 655100290 /nfs/dbraw/zinc/10/02/90/655100290.db2.gz XPNGMTWLWUWDJI-UHFFFAOYSA-N 0 0 385.239 2.603 20 50 GFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1C(=O)c1cccs1 ZINC000826447273 607350899 /nfs/dbraw/zinc/35/08/99/607350899.db2.gz XPKXXWVNFHFWHB-UHFFFAOYSA-N 0 0 390.428 2.916 20 50 GFGDRN Cc1noc2nc(C(C)C)cc(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)c12 ZINC000826340139 607351808 /nfs/dbraw/zinc/35/18/08/607351808.db2.gz JHHCYFUVMYXKAN-UHFFFAOYSA-N 0 0 378.396 2.592 20 50 GFGDRN COc1ccc(CNC(=O)NNc2c(C)cc(C)cc2C)cc1-c1nn[nH]n1 ZINC000826200184 607626976 /nfs/dbraw/zinc/62/69/76/607626976.db2.gz BWEAAYADYZSABM-UHFFFAOYSA-N 0 0 381.440 2.627 20 50 GFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000826448895 607716603 /nfs/dbraw/zinc/71/66/03/607716603.db2.gz QYILWJBTYVSYKH-UHFFFAOYSA-N 0 0 394.366 2.935 20 50 GFGDRN O=C(CCOc1ccc(F)c(Cl)c1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826407889 607722739 /nfs/dbraw/zinc/72/27/39/607722739.db2.gz GMQFNXPSPKLHLD-UHFFFAOYSA-N 0 0 376.779 2.571 20 50 GFGDRN Cc1ccc(-c2nc(CC(=O)NNc3cccc(-c4nn[nH]n4)c3)cs2)o1 ZINC000826273599 607730018 /nfs/dbraw/zinc/73/00/18/607730018.db2.gz LVRDODGNHLUOSH-UHFFFAOYSA-N 0 0 381.421 2.577 20 50 GFGDRN O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2nn[nH]n2)s1 ZINC000823454292 606181183 /nfs/dbraw/zinc/18/11/83/606181183.db2.gz MSQZBSFRDOSTLY-UHFFFAOYSA-N 0 0 396.182 2.818 20 50 GFGDRN C[C@@H]1CCC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)c2ccccc21 ZINC000824901062 607782218 /nfs/dbraw/zinc/78/22/18/607782218.db2.gz XOOWBXJFQMUEAG-CYBMUJFWSA-N 0 0 376.420 2.663 20 50 GFGDRN O=C(NCc1cccc(-c2nn[nH]n2)c1)NNc1cc(C(F)(F)F)ccc1F ZINC000826443049 607837063 /nfs/dbraw/zinc/83/70/63/607837063.db2.gz YCXNDSVUTQOKEP-UHFFFAOYSA-N 0 0 395.320 2.851 20 50 GFGDRN O=C(NN=Cc1cc(F)ccc1Br)c1cccc(-c2nn[nH]n2)c1 ZINC000826444432 608054745 /nfs/dbraw/zinc/05/47/45/608054745.db2.gz GGPDOZUQEUHTEP-UHFFFAOYSA-N 0 0 389.188 2.532 20 50 GFGDRN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NNc1ccc(C(C)(C)C)cc1 ZINC000826277309 608141159 /nfs/dbraw/zinc/14/11/59/608141159.db2.gz QHYOBKNZOALOPC-UHFFFAOYSA-N 0 0 393.451 2.554 20 50 GFGDRN CC(C)c1ccc(/C=C/CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824348046 608155835 /nfs/dbraw/zinc/15/58/35/608155835.db2.gz XVGAVXLBQCQINH-HWKANZROSA-N 0 0 390.447 2.855 20 50 GFGDRN CC(C)c1ccc(/C=C\CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824348047 608155840 /nfs/dbraw/zinc/15/58/40/608155840.db2.gz XVGAVXLBQCQINH-HYXAFXHYSA-N 0 0 390.447 2.855 20 50 GFGDRN CC(C)c1ccc(/C=C\CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824347678 608196693 /nfs/dbraw/zinc/19/66/93/608196693.db2.gz KFIUCUZMJSTNNG-ARJAWSKDSA-N 0 0 390.447 2.855 20 50 GFGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)c1cccc2c1OCCO2 ZINC000826379506 608219348 /nfs/dbraw/zinc/21/93/48/608219348.db2.gz UDNXGUJWNZOGRI-WQLSENKSSA-N 0 0 377.335 2.567 20 50 GFGDRN O=C(C=C1CCSCC1)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000826400119 608277477 /nfs/dbraw/zinc/27/74/77/608277477.db2.gz QAICJTIDBCPLMG-UHFFFAOYSA-N 0 0 384.387 2.782 20 50 GFGDRN CC(Cc1ccc(Cl)cc1)=NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000824457568 608289099 /nfs/dbraw/zinc/28/90/99/608289099.db2.gz PYVZAJZFNAZBJG-UHFFFAOYSA-N 0 0 384.827 2.634 20 50 GFGDRN CC(C)(C)C(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000824071674 608807472 /nfs/dbraw/zinc/80/74/72/608807472.db2.gz MEWQTAJOQCTFMV-UHFFFAOYSA-N 0 0 395.423 2.858 20 50 GFGDRN COc1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c2cccnc12 ZINC000826209981 608809466 /nfs/dbraw/zinc/80/94/66/608809466.db2.gz ZFWGJQIYOOQOFM-UHFFFAOYSA-N 0 0 376.380 2.572 20 50 GFGDRN Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)nn1-c1ccc(Cl)cc1 ZINC000826259709 609391259 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O=C(CCc1ncc(-c2ccccc2F)o1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826409021 607353012 /nfs/dbraw/zinc/35/30/12/607353012.db2.gz FJVBWIJPPIZLMW-UHFFFAOYSA-N 0 0 393.382 2.737 20 50 GFGDRN CCCc1ccc(C(=O)CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825348715 607355122 /nfs/dbraw/zinc/35/51/22/607355122.db2.gz XKKKTQAVIODXEP-UHFFFAOYSA-N 0 0 378.436 2.925 20 50 GFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1Br ZINC000826447176 607354701 /nfs/dbraw/zinc/35/47/01/607354701.db2.gz RJXBYHITUXIBPI-UHFFFAOYSA-N 0 0 377.177 2.525 20 50 GFGDRN O=C(NNc1ccc(Br)cc1F)c1sccc1-c1nn[nH]n1 ZINC000826447493 607358008 /nfs/dbraw/zinc/35/80/08/607358008.db2.gz HXOMZZSLTJGHMP-UHFFFAOYSA-N 0 0 383.206 2.587 20 50 GFGDRN Cc1cc(Br)ccc1NNC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000826256566 607396401 /nfs/dbraw/zinc/39/64/01/607396401.db2.gz PQWXJXSGZRJVAM-UHFFFAOYSA-N 0 0 379.243 2.756 20 50 GFGDRN CC(=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1coc2ccccc12 ZINC000823948426 607650900 /nfs/dbraw/zinc/65/09/00/607650900.db2.gz 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O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000826446780 607357332 /nfs/dbraw/zinc/35/73/32/607357332.db2.gz YENYHCQMKLYGQC-UHFFFAOYSA-N 0 0 380.799 2.667 20 50 GFGDRN O=C(NNc1cccc(C(F)(F)F)c1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826449110 607712934 /nfs/dbraw/zinc/71/29/34/607712934.db2.gz BZBTWVUUGAFJJK-UHFFFAOYSA-N 0 0 383.721 2.691 20 50 GFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(Cl)ccc1OC(F)F ZINC000826449001 607716649 /nfs/dbraw/zinc/71/66/49/607716649.db2.gz XGBWNRGHUMBNHX-UHFFFAOYSA-N 0 0 380.742 2.878 20 50 GFGDRN C=CCOc1ccc(C=CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000823932042 607718441 /nfs/dbraw/zinc/71/84/41/607718441.db2.gz LLRAXHDQLRSFCZ-NTMALXAHSA-N 0 0 392.419 2.597 20 50 GFGDRN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825080692 607729586 /nfs/dbraw/zinc/72/95/86/607729586.db2.gz BLSSPIMBTXYIAO-GFCCVEGCSA-N 0 0 391.439 2.648 20 50 GFGDRN C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NNc2cccc(C(=O)[O-])c2)CC1 ZINC000833550531 605746566 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CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc(-c2nn[nH]n2)s1 ZINC000823948148 608091489 /nfs/dbraw/zinc/09/14/89/608091489.db2.gz DXZFDBOGTXUUKB-UHFFFAOYSA-N 0 0 378.417 2.941 20 50 GFGDRN O=C(NN=Cc1c(Cl)cccc1N1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826444815 608110517 /nfs/dbraw/zinc/11/05/17/608110517.db2.gz VRMODQBMBUWGAP-UHFFFAOYSA-N 0 0 395.854 2.884 20 50 GFGDRN COc1cc2c(c(C=C(C#N)C(=O)c3cccc(-c4nn[nH]n4)c3)c1)O[C@H](C)C2 ZINC000826178563 608214654 /nfs/dbraw/zinc/21/46/54/608214654.db2.gz CUIJMGLVWLCMHR-VQGSWFTOSA-N 0 0 387.399 2.989 20 50 GFGDRN COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000826190591 608216479 /nfs/dbraw/zinc/21/64/79/608216479.db2.gz GOWBZLYHYBLTGE-VGOFMYFVSA-N 0 0 376.332 2.573 20 50 GFGDRN COc1ccc2nc(NC(=O)NNc3cccc(-c4nn[nH]n4)c3)sc2c1 ZINC000826213571 608802280 /nfs/dbraw/zinc/80/22/80/608802280.db2.gz BYGKQYRVXDGGPW-UHFFFAOYSA-N 0 0 382.409 2.634 20 50 GFGDRN CC(=O)Nc1ccc(Cl)c(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824000024 608806252 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CC[C@H]1C[C@H](CC(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)CCO1 ZINC000825182473 609416859 /nfs/dbraw/zinc/41/68/59/609416859.db2.gz KBMSMMJMMSOJTK-PWSUYJOCSA-N 0 0 398.389 2.924 20 50 GFGDRN O=C(NNc1ccc(F)cc1Br)c1ccc(-c2nn[nH]n2)s1 ZINC000826447544 607340007 /nfs/dbraw/zinc/34/00/07/607340007.db2.gz KOXSJDSDSJHMAF-UHFFFAOYSA-N 0 0 383.206 2.587 20 50 GFGDRN Cc1c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cnn1-c1cccc(Cl)c1 ZINC000826234939 607340613 /nfs/dbraw/zinc/34/06/13/607340613.db2.gz VQVUVXLGQIULBU-UHFFFAOYSA-N 0 0 394.826 2.771 20 50 GFGDRN Cc1ccc(C)c(NNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826285086 607388932 /nfs/dbraw/zinc/38/89/32/607388932.db2.gz PGCVNZIJYTZRMR-GOSISDBHSA-N 0 0 377.452 2.596 20 50 GFGDRN O=Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)cs1 ZINC000826484143 607395440 /nfs/dbraw/zinc/39/54/40/607395440.db2.gz PIAZJTIFYHFWHL-UHFFFAOYSA-N 0 0 382.327 2.516 20 50 GFGDRN O=C(CCc1ccc(-c2nn[nH]n2)cc1)NNc1ccc(C(F)(F)F)cc1 ZINC000826408796 607635972 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Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826285556 607351750 /nfs/dbraw/zinc/35/17/50/607351750.db2.gz CPWDIPHCLWKVIG-MSOLQXFVSA-N 0 0 378.436 2.786 20 50 GFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1occc1COc1ccccc1 ZINC000826447497 607353509 /nfs/dbraw/zinc/35/35/09/607353509.db2.gz IEXCKOQVMOCDAE-UHFFFAOYSA-N 0 0 376.376 2.796 20 50 GFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826447059 607353553 /nfs/dbraw/zinc/35/35/53/607353553.db2.gz LHFXPJPXGFXGGQ-UHFFFAOYSA-N 0 0 393.285 2.551 20 50 GFGDRN C[C@H](SCC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1nc2ccccc2[nH]1 ZINC000824756901 607354795 /nfs/dbraw/zinc/35/47/95/607354795.db2.gz RRKSVEQALMVJFC-NSHDSACASA-N 0 0 394.464 2.681 20 50 GFGDRN CC(=O)c1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000824029711 607394131 /nfs/dbraw/zinc/39/41/31/607394131.db2.gz PZJZMQVURCLQFE-UHFFFAOYSA-N 0 0 390.325 2.845 20 50 GFGDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl ZINC000826249474 607650011 /nfs/dbraw/zinc/65/00/11/607650011.db2.gz FGSOADPMKVJLAF-UHFFFAOYSA-N 0 0 391.218 2.557 20 50 GFGDRN Cc1nc(Cc2ccccc2)sc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826326167 607726231 /nfs/dbraw/zinc/72/62/31/607726231.db2.gz DHCNUVVHMREEAV-UHFFFAOYSA-N 0 0 391.460 2.979 20 50 GFGDRN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000824184768 607732491 /nfs/dbraw/zinc/73/24/91/607732491.db2.gz LGKZSTTTYTVVNK-UHFFFAOYSA-N 0 0 399.842 2.872 20 50 GFGDRN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824739620 607733347 /nfs/dbraw/zinc/73/33/47/607733347.db2.gz YOBVWTJJMKOYEA-SECBINFHSA-N 0 0 376.779 2.570 20 50 GFGDRN CC(=NNC(=O)[C@H](C)C[NH+]1CCCCCC1)c1ccccc1OCC(=O)[O-] ZINC000833384916 605326334 /nfs/dbraw/zinc/32/63/34/605326334.db2.gz DLWDYZZZPWPECI-OAHLLOKOSA-N 0 0 375.469 2.502 20 50 GFGDRN COc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1-c1ccccn1 ZINC000826187358 607862059 /nfs/dbraw/zinc/86/20/59/607862059.db2.gz MJOMQCOOIVFTHC-UHFFFAOYSA-N 0 0 387.403 2.694 20 50 GFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000826449055 607995956 /nfs/dbraw/zinc/99/59/56/607995956.db2.gz ZIJLMOZLLVEUKS-UHFFFAOYSA-N 0 0 399.414 2.876 20 50 GFGDRN CC(=NNC(=O)c1cccc(Br)c1)c1ccc(-c2nn[nH]n2)s1 ZINC000823953494 608095117 /nfs/dbraw/zinc/09/51/17/608095117.db2.gz CQFNGPVGAGTDNQ-UHFFFAOYSA-N 0 0 391.254 2.845 20 50 GFGDRN CC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824450055 608228402 /nfs/dbraw/zinc/22/84/02/608228402.db2.gz RFDMESNIFMULRU-UHFFFAOYSA-N 0 0 397.420 2.673 20 50 GFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccc(F)cc1OCC(F)F ZINC000826448279 608341679 /nfs/dbraw/zinc/34/16/79/608341679.db2.gz OZFFHPHZAINCRF-UHFFFAOYSA-N 0 0 393.329 2.798 20 50 GFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000826448066 608807502 /nfs/dbraw/zinc/80/75/02/608807502.db2.gz GNVDEKUGAPTAFX-QGZVFWFLSA-N 0 0 395.423 2.573 20 50 GFGDRN O=C(OCc1ccccc1-c1nn[nH]n1)[C@@]12CC[C@@H](C[C@@H]1Br)C2 ZINC000826466901 608810619 /nfs/dbraw/zinc/81/06/19/608810619.db2.gz YDZBFVSOPZKJJP-YNZJMPHRSA-N 0 0 377.242 2.864 20 50 GFGDRN CCc1nnc(-c2ccc(NC(=O)NNc3cccc(-c4nn[nH]n4)c3)cc2)o1 ZINC000825762436 608814174 /nfs/dbraw/zinc/81/41/74/608814174.db2.gz AXMXVXGYJDQLEA-UHFFFAOYSA-N 0 0 391.395 2.628 20 50 GFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@H]1CCCOc2cc(F)ccc21 ZINC000826448464 609284054 /nfs/dbraw/zinc/28/40/54/609284054.db2.gz WVHIVROOKNREGQ-HNNXBMFYSA-N 0 0 383.387 2.546 20 50 GFGDRN