smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(-c2c[nH]c(C(=O)NNc3cccc(-c4nn[nH]n4)c3)c2)cs1 ZINC000826322167 607336339 /nfs/dbraw/zinc/33/63/39/607336339.db2.gz AUBHBGZZTUXMEV-UHFFFAOYSA-N 0 0 366.410 2.384 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1SCCc2sccc21 ZINC000826448520 607338439 /nfs/dbraw/zinc/33/84/39/607338439.db2.gz YOIOLPFFLIUPEP-ZDUSSCGKSA-N 0 0 358.452 2.402 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1c(F)c(F)cc(F)c1F ZINC000826446486 607344908 /nfs/dbraw/zinc/34/49/08/607344908.db2.gz NICLNPOHOYPIAU-UHFFFAOYSA-N 0 0 352.251 2.180 20 50 FEGDRN Cn1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C2CCCCC2)n1 ZINC000826358692 607348249 /nfs/dbraw/zinc/34/82/49/607348249.db2.gz DTYISGYSFNIMLX-UHFFFAOYSA-N 0 0 366.429 2.405 20 50 FEGDRN CC(C)c1nn(C)c(Cl)c1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824364347 607347512 /nfs/dbraw/zinc/34/75/12/607347512.db2.gz BWDOVKPYXORURO-UHFFFAOYSA-N 0 0 360.809 2.134 20 50 FEGDRN Cc1c(C=C(C#N)C(=O)OC[C@H](C)C(F)(F)F)cc(-c2nn[nH]n2)n1C ZINC000826235107 607362198 /nfs/dbraw/zinc/36/21/98/607362198.db2.gz BPUIQFKMQKPBDA-TYXSZMRMSA-N 0 0 368.319 2.162 20 50 FEGDRN O=C(NNC(=O)c1cccc2ccccc21)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000823277808 599551622 /nfs/dbraw/zinc/55/16/22/599551622.db2.gz XFHDYAGUMOMPOJ-UHFFFAOYSA-N 0 0 373.376 2.486 20 50 FEGDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1cccc([N+](=O)[O-])c1C ZINC000826249551 607396049 /nfs/dbraw/zinc/39/60/49/607396049.db2.gz IKSMZUWPCXTZMO-UHFFFAOYSA-N 0 0 353.342 2.149 20 50 FEGDRN COc1cc(F)cc(NNC(=O)C=Cc2ccccc2-c2nn[nH]n2)c1 ZINC000826180661 607402093 /nfs/dbraw/zinc/40/20/93/607402093.db2.gz RKLITXOWAPLXRT-VOTSOKGWSA-N 0 0 354.345 2.171 20 50 FEGDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1ccc(-c2ccccc2)nn1 ZINC000826249833 607463220 /nfs/dbraw/zinc/46/32/20/607463220.db2.gz XIDDSOOWNLKNAE-UHFFFAOYSA-N 0 0 372.392 2.389 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)Nc1ccc(N2CCCC2)nc1 ZINC000826446721 607673197 /nfs/dbraw/zinc/67/31/97/607673197.db2.gz VUSXSTXNHYQWEB-UHFFFAOYSA-N 0 0 365.401 2.011 20 50 FEGDRN Cc1nc(-c2ccccc2)[nH]c1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826233178 607726007 /nfs/dbraw/zinc/72/60/07/607726007.db2.gz WVLMSHKCNMMNJI-UHFFFAOYSA-N 0 0 360.381 2.322 20 50 FEGDRN COc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)ccc1OC(C)C ZINC000826177446 607730986 /nfs/dbraw/zinc/73/09/86/607730986.db2.gz IYAWMYWXVYFXOW-UHFFFAOYSA-N 0 0 368.397 2.419 20 50 FEGDRN O=C(NN=Cc1c[nH]nc1-c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826444452 607888011 /nfs/dbraw/zinc/88/80/11/607888011.db2.gz HEQMREYYIVWFQA-UHFFFAOYSA-N 0 0 358.365 2.021 20 50 FEGDRN CC(C)(C)[C@H]1C[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000824072042 608179220 /nfs/dbraw/zinc/17/92/20/608179220.db2.gz RNWRJPUVAONKBM-GXTWGEPZSA-N 0 0 359.434 2.087 20 50 FEGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cccc2c1OCCO2 ZINC000826379315 608213582 /nfs/dbraw/zinc/21/35/82/608213582.db2.gz OOHBAIJSRMFSEH-UVTDQMKNSA-N 0 0 359.345 2.428 20 50 FEGDRN O=C(C[C@H](O)c1ccc(Cl)cc1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826404411 608277330 /nfs/dbraw/zinc/27/73/30/608277330.db2.gz ZVBTYGUTRHBAAW-AWEZNQCLSA-N 0 0 358.789 2.087 20 50 FEGDRN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000826277973 608809250 /nfs/dbraw/zinc/80/92/50/608809250.db2.gz NJXBGYWGDJBXCJ-UHFFFAOYSA-N 0 0 354.330 2.232 20 50 FEGDRN CC1(CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)Cc2ccccc2C1 ZINC000824823385 608835228 /nfs/dbraw/zinc/83/52/28/608835228.db2.gz MUWMVLHZTHPMKP-UHFFFAOYSA-N 0 0 363.425 2.298 20 50 FEGDRN CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823953673 609157016 /nfs/dbraw/zinc/15/70/16/609157016.db2.gz LEHAKEMTGHBIAZ-UHFFFAOYSA-N 0 0 369.316 2.068 20 50 FEGDRN CC(=NNC(=O)CCOc1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000823948456 609275323 /nfs/dbraw/zinc/27/53/23/609275323.db2.gz NMUKCMFRHPTGJJ-UHFFFAOYSA-N 0 0 368.372 2.315 20 50 FEGDRN CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000823954011 609275536 /nfs/dbraw/zinc/27/55/36/609275536.db2.gz WHEXCFQBOGUBQI-UHFFFAOYSA-N 0 0 367.388 2.226 20 50 FEGDRN Cn1cc(C=NNC(=O)c2ccccc2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826359234 609303191 /nfs/dbraw/zinc/30/31/91/609303191.db2.gz AMAPNKSYSXBITM-UHFFFAOYSA-N 0 0 372.392 2.031 20 50 FEGDRN O=C(NN=C1CCOc2c(F)ccc(F)c21)c1ccc(-c2nn[nH]n2)cc1 ZINC000826444441 609467775 /nfs/dbraw/zinc/46/77/75/609467775.db2.gz GTGNCPPLAXXWHX-UHFFFAOYSA-N 0 0 370.319 2.062 20 50 FEGDRN COc1ccc(S[C@@H](C)C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826211434 607335819 /nfs/dbraw/zinc/33/58/19/607335819.db2.gz CROFBFDXDAJMHL-NSHDSACASA-N 0 0 370.438 2.499 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1sccc1OC(F)F ZINC000826447648 607341213 /nfs/dbraw/zinc/34/12/13/607341213.db2.gz PLXRSADRUSQEBC-UHFFFAOYSA-N 0 0 352.326 2.287 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc2c(c(Cl)c1)OCO2 ZINC000826446998 607341332 /nfs/dbraw/zinc/34/13/32/607341332.db2.gz IWFGPIMDZVRZTJ-UHFFFAOYSA-N 0 0 358.745 2.006 20 50 FEGDRN O=C(Cc1ccccc1Br)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826423163 607344526 /nfs/dbraw/zinc/34/45/26/607344526.db2.gz BEJHSKHOKBZVSS-UHFFFAOYSA-N 0 0 373.214 2.315 20 50 FEGDRN CCc1c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cnn1-c1ccccc1 ZINC000825687695 607347920 /nfs/dbraw/zinc/34/79/20/607347920.db2.gz LUZXGKSCHZPBLR-UHFFFAOYSA-N 0 0 374.408 2.372 20 50 FEGDRN C[C@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cccc(F)c1 ZINC000824385152 607349962 /nfs/dbraw/zinc/34/99/62/607349962.db2.gz NCMMOAOOMXXVIJ-LLVKDONJSA-N 0 0 368.372 2.358 20 50 FEGDRN O=C(NNc1ccc(F)c(F)c1F)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826447349 607358502 /nfs/dbraw/zinc/35/85/02/607358502.db2.gz BECMTKJWPGYDRR-UHFFFAOYSA-N 0 0 369.694 2.089 20 50 FEGDRN O=C(NNc1ccccc1Cl)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826449471 607382213 /nfs/dbraw/zinc/38/22/13/607382213.db2.gz UVYLUBKVWIYAJX-UHFFFAOYSA-N 0 0 350.169 2.325 20 50 FEGDRN C[C@@H](CCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824400146 607544957 /nfs/dbraw/zinc/54/49/57/607544957.db2.gz ATVDLUKFWIYLTI-ZDUSSCGKSA-N 0 0 364.409 2.212 20 50 FEGDRN C[N@H+](CCNC(=O)NNc1cccc(C(=O)[O-])c1)Cc1ccc(F)cc1 ZINC000833693575 605747388 /nfs/dbraw/zinc/74/73/88/605747388.db2.gz FLMDIUBGJHSRDO-UHFFFAOYSA-N 0 0 360.389 2.282 20 50 FEGDRN O=C(NNc1c(F)cccc1F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823281369 606697673 /nfs/dbraw/zinc/69/76/73/606697673.db2.gz RKARXSLMATUBJD-UHFFFAOYSA-N 0 0 352.251 2.180 20 50 FEGDRN CC(=NNC(=O)COc1ccc(C)cc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823948453 608093089 /nfs/dbraw/zinc/09/30/89/608093089.db2.gz NIMLBMUOIMNHTJ-UHFFFAOYSA-N 0 0 356.411 2.156 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccn(-c2ccccc2)n1 ZINC000826448493 608805472 /nfs/dbraw/zinc/80/54/72/608805472.db2.gz XXWRLJUKOFMUJJ-UHFFFAOYSA-N 0 0 361.369 2.201 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1cnn(-c2ccccc2)c1 ZINC000826448145 608815092 /nfs/dbraw/zinc/81/50/92/608815092.db2.gz JYMSVACYUGLJQN-UHFFFAOYSA-N 0 0 361.369 2.201 20 50 FEGDRN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NNc1cc(Cl)ccn1 ZINC000824171820 609397617 /nfs/dbraw/zinc/39/76/17/609397617.db2.gz DOKUTRYZZXNXRY-UHFFFAOYSA-N 0 0 373.804 2.216 20 50 FEGDRN COc1ncccc1NC(=O)NNc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826222281 609496720 /nfs/dbraw/zinc/49/67/20/609496720.db2.gz QIMYOVFCVPGOPZ-UHFFFAOYSA-N 0 0 360.765 2.072 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000826448783 607334705 /nfs/dbraw/zinc/33/47/05/607334705.db2.gz LLJXKJYSNFVDFV-UHFFFAOYSA-N 0 0 370.323 2.438 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000826448518 607334787 /nfs/dbraw/zinc/33/47/87/607334787.db2.gz YNSDMABRCSNKKU-UHFFFAOYSA-N 0 0 365.328 2.418 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(-c2cccs2)on1 ZINC000826446469 607340822 /nfs/dbraw/zinc/34/08/22/607340822.db2.gz MSKHBBFROZWGJW-UHFFFAOYSA-N 0 0 353.367 2.340 20 50 FEGDRN O=C(CCCOc1ccc(F)cc1F)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826406231 607341047 /nfs/dbraw/zinc/34/10/47/607341047.db2.gz NGIYVRXLQRRGBT-UHFFFAOYSA-N 0 0 374.351 2.447 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000826446581 607341985 /nfs/dbraw/zinc/34/19/85/607341985.db2.gz QTNVGWYBYGCANE-HNAYVOBHSA-N 0 0 362.393 2.050 20 50 FEGDRN COc1cccc(C(C)=CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826214618 607345445 /nfs/dbraw/zinc/34/54/45/607345445.db2.gz REUXGGBMQCYWFM-BENRWUELSA-N 0 0 350.382 2.422 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826446755 607352216 /nfs/dbraw/zinc/35/22/16/607352216.db2.gz XBCVYNKNLZEAAS-QWHCGFSZSA-N 0 0 356.336 2.392 20 50 FEGDRN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)NNc1ccc(C#N)cc1 ZINC000824172650 607355977 /nfs/dbraw/zinc/35/59/77/607355977.db2.gz NBBIFWRBGAWAQY-UHFFFAOYSA-N 0 0 363.381 2.039 20 50 FEGDRN CC1(C)Cc2ccc(C(=O)NNc3cccc(-c4nn[nH]n4)c3)c(O)c2O1 ZINC000824813426 607462507 /nfs/dbraw/zinc/46/25/07/607462507.db2.gz YORRDDFLUUXJHZ-UHFFFAOYSA-N 0 0 366.381 2.043 20 50 FEGDRN C[C@H](CCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824400145 607544770 /nfs/dbraw/zinc/54/47/70/607544770.db2.gz ATVDLUKFWIYLTI-CYBMUJFWSA-N 0 0 364.409 2.212 20 50 FEGDRN CCC(CC)[C@H](CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1)OC ZINC000825094709 607628956 /nfs/dbraw/zinc/62/89/56/607628956.db2.gz AJCALGPSXXSPDD-HNNXBMFYSA-N 0 0 361.450 2.334 20 50 FEGDRN O=C([O-])NC[C@@H](C(=O)NNc1cc[nH+]c2ccccc12)c1ccccc1 ZINC000832406949 603581521 /nfs/dbraw/zinc/58/15/21/603581521.db2.gz DRKXEGMNCZLAKN-OAHLLOKOSA-N 0 0 350.378 2.151 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1c(F)c(F)cc(F)c1F ZINC000826448173 607720325 /nfs/dbraw/zinc/72/03/25/607720325.db2.gz KXNOKWRNOZBDKW-UHFFFAOYSA-N 0 0 352.251 2.180 20 50 FEGDRN CC1(C)CCC(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824796912 607724788 /nfs/dbraw/zinc/72/47/88/607724788.db2.gz URSSXFBIVVQKAQ-UHFFFAOYSA-N 0 0 356.430 2.234 20 50 FEGDRN O=C(COC/C=C\c1ccccc1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826416718 607728308 /nfs/dbraw/zinc/72/83/08/607728308.db2.gz LUBXIYSQNKMXRE-YVMONPNESA-N 0 0 350.382 2.040 20 50 FEGDRN O=C(NN=c1nc[nH]c2ccsc21)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000823284893 607011478 /nfs/dbraw/zinc/01/14/78/607011478.db2.gz LXIHSNCDVAABBL-UHFFFAOYSA-N 0 0 353.371 2.020 20 50 FEGDRN COc1nc2ccccc2cc1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826221550 607888812 /nfs/dbraw/zinc/88/88/12/607888812.db2.gz KNSYDYCPNIDBPE-UHFFFAOYSA-N 0 0 373.376 2.187 20 50 FEGDRN CC(C)Cn1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1C1CC1 ZINC000824285152 608544832 /nfs/dbraw/zinc/54/48/32/608544832.db2.gz YYXMEFDKRFSUHM-UHFFFAOYSA-N 0 0 366.429 2.354 20 50 FEGDRN COc1cc(F)c(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826180165 608817190 /nfs/dbraw/zinc/81/71/90/608817190.db2.gz VFINQNVZTFFZOI-UHFFFAOYSA-N 0 0 361.312 2.302 20 50 FEGDRN Cc1cc(C(=O)NNc2ccccc2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260170 609142793 /nfs/dbraw/zinc/14/27/93/609142793.db2.gz ZNGNUWVKMQUBNK-UHFFFAOYSA-N 0 0 360.381 2.118 20 50 FEGDRN C[N+](C)(C)CC(=O)NN=Cc1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC001116871200 717196570 /nfs/dbraw/zinc/19/65/70/717196570.db2.gz KRYFQFMGUSHEMB-UHFFFAOYSA-O 0 0 370.429 2.120 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)C1(c2ccccc2)CCOCC1 ZINC000826447357 607336202 /nfs/dbraw/zinc/33/62/02/607336202.db2.gz BMAFFIWUEJOPKL-UHFFFAOYSA-N 0 0 364.409 2.058 20 50 FEGDRN COc1ccc(OCCCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826211627 607341712 /nfs/dbraw/zinc/34/17/12/607341712.db2.gz NFTLYYWRDNTKEP-UHFFFAOYSA-N 0 0 368.397 2.178 20 50 FEGDRN Cc1cc(C)cc(OCCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826265241 607344229 /nfs/dbraw/zinc/34/42/29/607344229.db2.gz RHPGMZXSGTUBBA-UHFFFAOYSA-N 0 0 352.398 2.396 20 50 FEGDRN O=C(COC/C=C/c1ccccc1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826416931 607350698 /nfs/dbraw/zinc/35/06/98/607350698.db2.gz WZSOKFWTSHZWMM-QPJJXVBHSA-N 0 0 350.382 2.040 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnc(-c2ccccn2)s1 ZINC000826447603 607352275 /nfs/dbraw/zinc/35/22/75/607352275.db2.gz NFXLPBBQLIOPFI-UHFFFAOYSA-N 0 0 364.394 2.142 20 50 FEGDRN COc1ccc(C=CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826191107 607355028 /nfs/dbraw/zinc/35/50/28/607355028.db2.gz XFICNYSPVCDTLR-WMZJFQQLSA-N 0 0 366.381 2.040 20 50 FEGDRN Cc1c(C=C(C#N)C(=O)Nc2ccc(O)c(C)c2)cc(-c2nn[nH]n2)n1C ZINC000826269514 607360781 /nfs/dbraw/zinc/36/07/81/607360781.db2.gz ONNXYGZFHRFCJN-QPEQYQDCSA-N 0 0 363.381 2.073 20 50 FEGDRN O=C(Cc1cc(-c2ccccc2)on1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826421515 607714075 /nfs/dbraw/zinc/71/40/75/607714075.db2.gz LVMVJDNIIUTATK-UHFFFAOYSA-N 0 0 361.365 2.208 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000826448345 607715628 /nfs/dbraw/zinc/71/56/28/607715628.db2.gz RDLYIPXKDODYIU-BEFAXECRSA-N 0 0 362.393 2.050 20 50 FEGDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826340946 607715875 /nfs/dbraw/zinc/71/58/75/607715875.db2.gz PUBKEOVQKIEKLS-UHFFFAOYSA-N 0 0 374.364 2.187 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1cncc(F)c1 ZINC000823280714 607049740 /nfs/dbraw/zinc/04/97/40/607049740.db2.gz FLHCQMKYVRJTBY-UHFFFAOYSA-N 0 0 367.266 2.177 20 50 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Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826249852 607396265 /nfs/dbraw/zinc/39/62/65/607396265.db2.gz YDYJVRVLLSHVBM-UHFFFAOYSA-N 0 0 373.760 2.494 20 50 FEGDRN O=C([O-])N[C@H](CC(=O)NNc1cc[nH+]c2ccccc12)Cc1ccccc1 ZINC000832106159 603581694 /nfs/dbraw/zinc/58/16/94/603581694.db2.gz UVXPEUHYCCOWDN-HNNXBMFYSA-N 0 0 364.405 2.369 20 50 FEGDRN Cc1c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cnn1-c1ccccc1C ZINC000826305605 607722289 /nfs/dbraw/zinc/72/22/89/607722289.db2.gz CKDZGRHTVCAVJJ-UHFFFAOYSA-N 0 0 374.408 2.426 20 50 FEGDRN O=C(NNc1cc(Cl)ccc1Cl)c1ccc(-c2nn[nH]n2)nc1 ZINC000823280691 606585780 /nfs/dbraw/zinc/58/57/80/606585780.db2.gz FCLHWVRHVJGEEK-UHFFFAOYSA-N 0 0 350.169 2.325 20 50 FEGDRN Cc1cccc(C)c1C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826296942 607882767 /nfs/dbraw/zinc/88/27/67/607882767.db2.gz PFJDCNQGFQATDM-UHFFFAOYSA-N 0 0 350.382 2.013 20 50 FEGDRN CC(=O)NNC(=O)c1ccc(Oc2ccccc2-c2nn[nH]n2)c(Cl)c1 ZINC000823993859 608057397 /nfs/dbraw/zinc/05/73/97/608057397.db2.gz 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COc1ccc(C[C@@H](C)C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826190702 607995342 /nfs/dbraw/zinc/99/53/42/607995342.db2.gz KHYCYYWZAUUATJ-GFCCVEGCSA-N 0 0 352.398 2.197 20 50 FEGDRN COc1ccccc1SCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826221241 608200324 /nfs/dbraw/zinc/20/03/24/608200324.db2.gz VUCAAAYWSTUITC-UHFFFAOYSA-N 0 0 356.411 2.111 20 50 FEGDRN N#CC(=Cc1nccn1CC(F)(F)F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378913 608215516 /nfs/dbraw/zinc/21/55/16/608215516.db2.gz DPTYHAGQLYNZHI-GHXNOFRVSA-N 0 0 373.298 2.415 20 50 FEGDRN CC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823948261 609159209 /nfs/dbraw/zinc/15/92/09/609159209.db2.gz IWLQJPBMZMYVFG-UHFFFAOYSA-N 0 0 359.752 2.208 20 50 FEGDRN C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cccc(C(F)(F)F)c1 ZINC000106025245 670808097 /nfs/dbraw/zinc/80/80/97/670808097.db2.gz OBDQCMFSBBOFJG-SECBINFHSA-N 0 0 359.348 2.017 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(Br)cs1 ZINC000826446982 607346121 /nfs/dbraw/zinc/34/61/21/607346121.db2.gz 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CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NNc1ncccc1Cl ZINC000825625696 608808802 /nfs/dbraw/zinc/80/88/02/608808802.db2.gz BORWXINWNNQNQT-UHFFFAOYSA-N 0 0 374.792 2.462 20 50 FEGDRN CCOC(=O)Nc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825523967 607335337 /nfs/dbraw/zinc/33/53/37/607335337.db2.gz XNMDPQVRGVHNAW-UHFFFAOYSA-N 0 0 367.369 2.192 20 50 FEGDRN CN(C)[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cccc(Cl)c1 ZINC000825850754 607337566 /nfs/dbraw/zinc/33/75/66/607337566.db2.gz RRGHMVUHWUXORR-HNNXBMFYSA-N 0 0 371.832 2.266 20 50 FEGDRN O=C(CCCOc1ccccc1F)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826406538 607349690 /nfs/dbraw/zinc/34/96/90/607349690.db2.gz BIETWYCPSIGNNH-UHFFFAOYSA-N 0 0 356.361 2.308 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C1CCC(=O)CC1 ZINC000826480325 607395462 /nfs/dbraw/zinc/39/54/62/607395462.db2.gz XOQRPFDGZAJVOR-UHFFFAOYSA-N 0 0 368.319 2.088 20 50 FEGDRN O=C(COc1ccccc1-c1nn[nH]n1)NN=Cc1coc2ccccc12 ZINC000826418989 607531607 /nfs/dbraw/zinc/53/16/07/607531607.db2.gz 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607712329 /nfs/dbraw/zinc/71/23/29/607712329.db2.gz BDRKNFCHMNFYEO-UHFFFAOYSA-N 0 0 358.789 2.351 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccnc1SC(F)F ZINC000826448567 607725294 /nfs/dbraw/zinc/72/52/94/607725294.db2.gz AKNZHXAFXNIPBJ-UHFFFAOYSA-N 0 0 363.353 2.333 20 50 FEGDRN O=C(CCCn1cnc2ccccc21)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826406928 607726643 /nfs/dbraw/zinc/72/66/43/607726643.db2.gz SWJWPXDXEULBCV-UHFFFAOYSA-N 0 0 362.397 2.140 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)N1CCCCC1 ZINC000823280596 606155305 /nfs/dbraw/zinc/15/53/05/606155305.db2.gz CPZUOPOCEQXMKV-UHFFFAOYSA-N 0 0 355.324 2.408 20 50 FEGDRN O=C(NNc1ccc(-c2ccccc2)nn1)c1cccc(-c2nn[nH]n2)c1 ZINC000823281688 606643235 /nfs/dbraw/zinc/64/32/35/606643235.db2.gz VVEBUAATRMRLCC-UHFFFAOYSA-N 0 0 358.365 2.081 20 50 FEGDRN CCCCc1nc(Cl)c(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)[nH]1 ZINC000825296820 607888420 /nfs/dbraw/zinc/88/84/20/607888420.db2.gz WCJFAYKPJCDCJC-UHFFFAOYSA-N 0 0 372.820 2.350 20 50 FEGDRN CCOc1cc(C=CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)ccc1O ZINC000825615979 609253811 /nfs/dbraw/zinc/25/38/11/609253811.db2.gz RKACDVRFKLPHLO-ONNFQVAWSA-N 0 0 366.381 2.128 20 50 FEGDRN CC[C@@H](C)Oc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)ccn1 ZINC000825074355 609259284 /nfs/dbraw/zinc/25/92/84/609259284.db2.gz GWKKRMFXZPPIAS-LLVKDONJSA-N 0 0 353.386 2.196 20 50 FEGDRN CC(C)(C)[C@@H](Br)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000824070828 609266052 /nfs/dbraw/zinc/26/60/52/609266052.db2.gz DCPUOWOYOCEGKL-NSHDSACASA-N 0 0 352.236 2.293 20 50 FEGDRN CC(=NNC(=O)c1ccc(C)cc1O)c1ccc(-c2nn[nH]n2)cc1F ZINC000823948550 609275568 /nfs/dbraw/zinc/27/55/68/609275568.db2.gz ROIAJPAIOPDJFJ-UHFFFAOYSA-N 0 0 354.345 2.174 20 50 FEGDRN Cc1c(C=C(C#N)C(=O)Nc2ccc(O)cc2C)cc(-c2nn[nH]n2)n1C ZINC000826271660 607338879 /nfs/dbraw/zinc/33/88/79/607338879.db2.gz BBMFSYIYNNXFFQ-QPEQYQDCSA-N 0 0 363.381 2.073 20 50 FEGDRN Cc1oc(-n2cccc2)c(-c2nn[nH]n2)c1C(=O)NNc1cccc(F)c1 ZINC000826340534 607339727 /nfs/dbraw/zinc/33/97/27/607339727.db2.gz BJLNRSSGZCFENU-UHFFFAOYSA-N 0 0 367.344 2.455 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000826447026 607342514 /nfs/dbraw/zinc/34/25/14/607342514.db2.gz KHTLXEKVPBWCKH-UHFFFAOYSA-N 0 0 373.376 2.183 20 50 FEGDRN COc1ccc(C(C)(C)C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826187650 607344378 /nfs/dbraw/zinc/34/43/78/607344378.db2.gz AOHSYDDXQQOOOK-UHFFFAOYSA-N 0 0 352.398 2.296 20 50 FEGDRN Cc1nc2ccc(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)cc2nc1C ZINC000826329073 607344535 /nfs/dbraw/zinc/34/45/35/607344535.db2.gz PFRZRGUOSCWGPI-UHFFFAOYSA-N 0 0 360.381 2.184 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826447256 607348832 /nfs/dbraw/zinc/34/88/32/607348832.db2.gz WVDSVLLCHWRPFM-UHFFFAOYSA-N 0 0 359.733 2.185 20 50 FEGDRN Cc1c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cnn1-c1ccccc1C ZINC000826305946 607346718 /nfs/dbraw/zinc/34/67/18/607346718.db2.gz MREFEZZNESGJKG-UHFFFAOYSA-N 0 0 374.408 2.426 20 50 FEGDRN CCOc1ncc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000825658762 607350388 /nfs/dbraw/zinc/35/03/88/607350388.db2.gz JYFWRQOXYBHVDJ-UHFFFAOYSA-N 0 0 359.777 2.071 20 50 FEGDRN CSc1ccc([N+](=O)[O-])c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826231123 607349095 /nfs/dbraw/zinc/34/90/95/607349095.db2.gz YCTWSRUZPVRTIP-UHFFFAOYSA-N 0 0 371.382 2.254 20 50 FEGDRN COc1cccc2cc(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)oc21 ZINC000826218334 607355184 /nfs/dbraw/zinc/35/51/84/607355184.db2.gz YZGBVNCSLLNVOR-UHFFFAOYSA-N 0 0 350.338 2.378 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(Oc2cnccn2)c1 ZINC000826446950 607354516 /nfs/dbraw/zinc/35/45/16/607354516.db2.gz GPCSNYMCWWZLCG-UHFFFAOYSA-N 0 0 374.364 2.206 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000826447318 607463870 /nfs/dbraw/zinc/46/38/70/607463870.db2.gz ZRXZNRSEWPBIID-UHFFFAOYSA-N 0 0 359.733 2.185 20 50 FEGDRN Cc1c(C=C(C#N)C(=O)Nc2cc(C)cc(C)n2)cc(-c2nn[nH]n2)n1C ZINC000826266042 607629946 /nfs/dbraw/zinc/62/99/46/607629946.db2.gz ZPJGNZFLBDUTFB-AUWJEWJLSA-N 0 0 362.397 2.071 20 50 FEGDRN COc1cccc(C(C)=CC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826214576 607720803 /nfs/dbraw/zinc/72/08/03/607720803.db2.gz PYVMDOHNNBFMII-FMIVXFBMSA-N 0 0 350.382 2.422 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000826448302 607721906 /nfs/dbraw/zinc/72/19/06/607721906.db2.gz PXUAVTDHJBMZST-VXGBXAGGSA-N 0 0 356.336 2.392 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000826447907 607730024 /nfs/dbraw/zinc/73/00/24/607730024.db2.gz ATGAGLLVGXVZSL-GXTWGEPZSA-N 0 0 356.336 2.392 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000826447908 607730118 /nfs/dbraw/zinc/73/01/18/607730118.db2.gz ATGAGLLVGXVZSL-JSGCOSHPSA-N 0 0 356.336 2.392 20 50 FEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000826448039 607730506 /nfs/dbraw/zinc/73/05/06/607730506.db2.gz FRYAWIMNSZPURJ-UHFFFAOYSA-N 0 0 365.328 2.017 20 50 FEGDRN O=C([O-])NCCCC(=O)NN=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000834228793 605800358 /nfs/dbraw/zinc/80/03/58/605800358.db2.gz RCQAAROAKLSLAJ-CALCHBBNSA-N 0 0 358.442 2.333 20 50 FEGDRN O=C(NN=Cc1ccccc1-c1nn[nH]n1)c1cc2ccccc2cc1O ZINC000826444917 607882337 /nfs/dbraw/zinc/88/23/37/607882337.db2.gz ZGRWJORKPMHBDS-UHFFFAOYSA-N 0 0 358.361 2.489 20 50 FEGDRN CC(C)c1nc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)c2ccccn21 ZINC000824358736 607887362 /nfs/dbraw/zinc/88/73/62/607887362.db2.gz PLWDGSSFKVMYTD-UHFFFAOYSA-N 0 0 374.408 2.402 20 50 FEGDRN CC(=NNC(=O)COc1cc(C)ccc1C)c1ccc(-c2nn[nH]n2)s1 ZINC000823948386 608091490 /nfs/dbraw/zinc/09/14/90/608091490.db2.gz KJANMOXCAYQFOS-UHFFFAOYSA-N 0 0 370.438 2.464 20 50 FEGDRN CC(=O)Nc1cccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1C ZINC000824004671 608803072 /nfs/dbraw/zinc/80/30/72/608803072.db2.gz CMFXULSXRAZCBJ-UHFFFAOYSA-N 0 0 366.385 2.282 20 50 FEGDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826263901 608817854 /nfs/dbraw/zinc/81/78/54/608817854.db2.gz VILJOXVPSGGZFY-UHFFFAOYSA-N 0 0 367.369 2.457 20 50 FEGDRN C[C@H](C#N)Oc1ccccc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824034765 609164189 /nfs/dbraw/zinc/16/41/89/609164189.db2.gz ORUOWUMFDNIQRP-LLVKDONJSA-N 0 0 364.369 2.306 20 50 FEGDRN COCCCOc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826157149 607337206 /nfs/dbraw/zinc/33/72/06/607337206.db2.gz JXGPZHWQNKLLJQ-UHFFFAOYSA-N 0 0 368.397 2.039 20 50 FEGDRN N#CCSc1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826381917 607344642 /nfs/dbraw/zinc/34/46/42/607344642.db2.gz FYWCIGCWAOOWPZ-UHFFFAOYSA-N 0 0 351.395 2.239 20 50 FEGDRN CCc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000825705258 607348120 /nfs/dbraw/zinc/34/81/20/607348120.db2.gz ZZZSJLTVQITBJL-UHFFFAOYSA-N 0 0 353.342 2.094 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(OCC2CC2)cc1 ZINC000826446834 607348863 /nfs/dbraw/zinc/34/88/63/607348863.db2.gz AQVWVAVTQJZPJT-UHFFFAOYSA-N 0 0 350.382 2.412 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000826446238 607347111 /nfs/dbraw/zinc/34/71/11/607347111.db2.gz FCTRWZRFULDTPU-LBPRGKRZSA-N 0 0 370.800 2.215 20 50 FEGDRN Cc1oc(-c2ccco2)nc1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826340663 607351780 /nfs/dbraw/zinc/35/17/80/607351780.db2.gz GVXWTEPMMKOXDL-UHFFFAOYSA-N 0 0 365.353 2.109 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cnc(-c2ccccc2)nc1 ZINC000826447453 607357125 /nfs/dbraw/zinc/35/71/25/607357125.db2.gz GLKRVPIBJXNMNO-UHFFFAOYSA-N 0 0 358.365 2.081 20 50 FEGDRN O=C(NNc1cccc(Br)c1)c1sccc1-c1nn[nH]n1 ZINC000826449445 607713065 /nfs/dbraw/zinc/71/30/65/607713065.db2.gz SYZLHKCVDGFKCO-UHFFFAOYSA-N 0 0 365.216 2.448 20 50 FEGDRN Cc1c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cnn1Cc1ccccc1 ZINC000826234786 607713802 /nfs/dbraw/zinc/71/38/02/607713802.db2.gz NYTIHZDULAVRQA-UHFFFAOYSA-N 0 0 374.408 2.177 20 50 FEGDRN Cc1cccc(OCCCC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826299961 607714035 /nfs/dbraw/zinc/71/40/35/607714035.db2.gz CEDZHHGDQRWYJK-UHFFFAOYSA-N 0 0 352.398 2.477 20 50 FEGDRN CCc1c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cnn1-c1ccccc1 ZINC000825688372 607722183 /nfs/dbraw/zinc/72/21/83/607722183.db2.gz WSIYOSFARGGOKL-UHFFFAOYSA-N 0 0 374.408 2.372 20 50 FEGDRN Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)nn1-c1ccccc1 ZINC000826259772 607726032 /nfs/dbraw/zinc/72/60/32/607726032.db2.gz FIEYCEOPUJOTSY-UHFFFAOYSA-N 0 0 360.381 2.118 20 50 FEGDRN Cc1nc(-c2ccccc2)ncc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826323232 607731645 /nfs/dbraw/zinc/73/16/45/607731645.db2.gz VYEYGGMXWOVQSA-UHFFFAOYSA-N 0 0 372.392 2.389 20 50 FEGDRN CC(C)CC(=O)NNC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833472291 605183624 /nfs/dbraw/zinc/18/36/24/605183624.db2.gz AHZDRJUOFHKISM-CJNGLKHVSA-N 0 0 363.458 2.010 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1cncs1 ZINC000823281109 606129181 /nfs/dbraw/zinc/12/91/81/606129181.db2.gz MKKZMTQAJWIJDT-UHFFFAOYSA-N 0 0 355.305 2.099 20 50 FEGDRN COc1ccccc1SCC(=O)NN=Cc1cc(-c2nn[nH]n2)cs1 ZINC000826220928 608054390 /nfs/dbraw/zinc/05/43/90/608054390.db2.gz HBOBAHJLPCMWFS-UHFFFAOYSA-N 0 0 374.451 2.179 20 50 FEGDRN CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc(-c2nn[nH]n2)s1 ZINC000823948505 608091761 /nfs/dbraw/zinc/09/17/61/608091761.db2.gz PSEOMMPPNRXHDH-UHFFFAOYSA-N 0 0 370.438 2.464 20 50 FEGDRN Cn1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(-c2cccs2)n1 ZINC000826358952 608546276 /nfs/dbraw/zinc/54/62/76/608546276.db2.gz OYUCTKKGPHEHFY-UHFFFAOYSA-N 0 0 366.410 2.086 20 50 FEGDRN COc1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000826209656 608804372 /nfs/dbraw/zinc/80/43/72/608804372.db2.gz KZBKGEUIOIMULX-UHFFFAOYSA-N 0 0 355.358 2.033 20 50 FEGDRN CCCCn1ncc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1C ZINC000825301255 608816994 /nfs/dbraw/zinc/81/69/94/608816994.db2.gz KQYXDZDKDGPDGV-UHFFFAOYSA-N 0 0 355.406 2.320 20 50 FEGDRN CC(=NNC(=O)CCc1ccccc1O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823948758 609159014 /nfs/dbraw/zinc/15/90/14/609159014.db2.gz WRTCSJGTTGQLRB-UHFFFAOYSA-N 0 0 368.372 2.184 20 50 FEGDRN CC(=NNC(=O)CCc1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000823948578 609275430 /nfs/dbraw/zinc/27/54/30/609275430.db2.gz SOUKAXWUCKNCSU-UHFFFAOYSA-N 0 0 352.373 2.479 20 50 FEGDRN O=C(NNC(=O)[C@@H]1CSCCS1)c1cccc(C(F)(F)F)c1 ZINC000105967088 670807818 /nfs/dbraw/zinc/80/78/18/670807818.db2.gz ISVSURFHTXWGHW-JTQLQIEISA-N 0 0 350.387 2.315 20 50 FEGDRN COc1ccc(C=CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826190908 607335473 /nfs/dbraw/zinc/33/54/73/607335473.db2.gz QNDJTNWEQFVZSK-VQHVLOKHSA-N 0 0 366.381 2.040 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1csc(-c2ccoc2)n1 ZINC000826447581 607343774 /nfs/dbraw/zinc/34/37/74/607343774.db2.gz MDYOPEXTXOZHBY-UHFFFAOYSA-N 0 0 353.367 2.340 20 50 FEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1OCC1CC1 ZINC000826447253 607346402 /nfs/dbraw/zinc/34/64/02/607346402.db2.gz WPQQUPJRBWCQAD-UHFFFAOYSA-N 0 0 350.382 2.412 20 50 FEGDRN Cc1c(NNC(=O)C=Cc2ccccc2-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000826242787 607396214 /nfs/dbraw/zinc/39/62/14/607396214.db2.gz 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