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CCCCCCCC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001590592663 1076657218 /nfs/dbraw/zinc/65/72/18/1076657218.db2.gz CDQQOIBXOJNWJN-GFCCVEGCSA-N -1 1 319.413 2.180 20 30 DEEDMM CCO[C@@H]1CCCC1N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC001590792854 1076677697 /nfs/dbraw/zinc/67/76/97/1076677697.db2.gz CKSOVHKIPVFHQP-SNVBAGLBSA-N -1 1 319.369 2.335 20 30 DEEDMM Cc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)o1 ZINC001592143557 1076859066 /nfs/dbraw/zinc/85/90/66/1076859066.db2.gz GXXDOGWAVYFBOR-UHFFFAOYSA-N -1 1 315.337 2.500 20 30 DEEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC001592503523 1076922733 /nfs/dbraw/zinc/92/27/33/1076922733.db2.gz PYLZKIQYGKWWHC-UHFFFAOYSA-N -1 1 312.264 2.031 20 30 DEEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC001592503523 1076922734 /nfs/dbraw/zinc/92/27/34/1076922734.db2.gz PYLZKIQYGKWWHC-UHFFFAOYSA-N -1 1 312.264 2.031 20 30 DEEDMM N#CC[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001592681693 1076951635 /nfs/dbraw/zinc/95/16/35/1076951635.db2.gz 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N#Cc1cc(NC(=O)CCN2CC[C@@H](F)C2)ccc1NC(=O)[O-] ZINC001574245620 1069187220 /nfs/dbraw/zinc/18/72/20/1069187220.db2.gz TWVTUIQFGSGZTI-LLVKDONJSA-N -1 1 320.324 2.021 20 30 DEEDMM C=CCN1CC[C@@]2(CCCN2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272616966 1079014225 /nfs/dbraw/zinc/01/42/25/1079014225.db2.gz QRVNUOLIFRDJPX-KRWDZBQOSA-N -1 1 322.355 2.423 20 30 DEEDMM N#Cc1cccc(O[N-]C(=O)C[C@@H]2C(=O)Nc3ccccc32)c1 ZINC001648729558 1075007871 /nfs/dbraw/zinc/00/78/71/1075007871.db2.gz RYBIPKVJICMPQI-AWEZNQCLSA-N -1 1 307.309 2.094 20 30 DEEDMM Cc1cc(F)ccc1[C@@H](C)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001580940246 1076023631 /nfs/dbraw/zinc/02/36/31/1076023631.db2.gz RCCVPXKKLKSBBK-SECBINFHSA-N -1 1 324.323 2.149 20 30 DEEDMM Cc1cc(F)ccc1[C@@H](C)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001580940246 1076023634 /nfs/dbraw/zinc/02/36/34/1076023634.db2.gz RCCVPXKKLKSBBK-SECBINFHSA-N -1 1 324.323 2.149 20 30 DEEDMM Cc1cc([C@@H](C)Nc2cnc(-c3nnn[n-]3)c(C#N)n2)ccc1F ZINC001581044464 1076037458 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DEEDMM C#CC[C@@H]1CCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001588336479 1076442064 /nfs/dbraw/zinc/44/20/64/1076442064.db2.gz AXROVVMCDBKEEH-SECBINFHSA-N -1 1 322.294 2.130 20 30 DEEDMM C#CC[C@H](NCc1cnn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC001588423414 1076447489 /nfs/dbraw/zinc/44/74/89/1076447489.db2.gz GGQJUIKQTOUBFT-AWEZNQCLSA-N -1 1 317.776 2.151 20 30 DEEDMM C=CCC1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001588556444 1076454383 /nfs/dbraw/zinc/45/43/83/1076454383.db2.gz LIOCQEZVWDCAKJ-UHFFFAOYSA-N -1 1 303.391 2.291 20 30 DEEDMM COc1cccc(C(=O)C=Cc2nc(-c3nnn[n-]3)cs2)c1 ZINC001591632349 1076767306 /nfs/dbraw/zinc/76/73/06/1076767306.db2.gz OWUCMRIQJUADFB-AATRIKPKSA-N -1 1 313.342 2.228 20 30 DEEDMM COc1cccc(C(=O)C=Cc2nc(-c3nn[n-]n3)cs2)c1 ZINC001591632349 1076767311 /nfs/dbraw/zinc/76/73/11/1076767311.db2.gz OWUCMRIQJUADFB-AATRIKPKSA-N -1 1 313.342 2.228 20 30 DEEDMM CSc1ccc(CN=Nc2oc(C)nc2-c2nn[n-]n2)s1 ZINC001591707271 1076777323 /nfs/dbraw/zinc/77/73/23/1076777323.db2.gz 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N#Cc1ccc2nc(NC(=O)Cc3cccc(C(=O)[O-])c3)[nH]c2c1 ZINC001608213563 1077611031 /nfs/dbraw/zinc/61/10/31/1077611031.db2.gz RFRDUTMWUMTVCZ-UHFFFAOYSA-N -1 1 320.308 2.314 20 30 DEEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCO[C@@H](C(F)F)CC2)c1 ZINC001608215960 1077611629 /nfs/dbraw/zinc/61/16/29/1077611629.db2.gz UPDGCWKBBKNQBT-CHWSQXEVSA-N -1 1 310.300 2.040 20 30 DEEDMM N#Cc1csc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001608222134 1077613001 /nfs/dbraw/zinc/61/30/01/1077613001.db2.gz LTXLYRGKSQIIOF-INIZCTEOSA-N -1 1 313.382 2.243 20 30 DEEDMM C#CCOc1ccccc1CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001609021686 1077743877 /nfs/dbraw/zinc/74/38/77/1077743877.db2.gz UORMCHWKOWJVNE-UHFFFAOYSA-N -1 1 320.356 2.194 20 30 DEEDMM C#CCOc1ccccc1CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001609021686 1077743884 /nfs/dbraw/zinc/74/38/84/1077743884.db2.gz UORMCHWKOWJVNE-UHFFFAOYSA-N -1 1 320.356 2.194 20 30 DEEDMM C=C[C@@H](C(=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001609262307 1077820017 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/nfs/dbraw/zinc/80/49/93/1076804993.db2.gz RCZSMGIZBLDYJU-ARJAWSKDSA-N -1 1 301.331 2.429 20 30 DEEDMM Cc1cc(C#N)ccc1COc1ccc(F)nc1-c1nn[nH]n1 ZINC001591906663 1076806327 /nfs/dbraw/zinc/80/63/27/1076806327.db2.gz VOFDSNLAEMRPRR-UHFFFAOYSA-N -1 1 310.292 2.160 20 30 DEEDMM Cc1cc(C#N)ccc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001591906663 1076806332 /nfs/dbraw/zinc/80/63/32/1076806332.db2.gz VOFDSNLAEMRPRR-UHFFFAOYSA-N -1 1 310.292 2.160 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccsc2Cl)o1 ZINC001592338410 1076900097 /nfs/dbraw/zinc/90/00/97/1076900097.db2.gz ANUIQKUXMCGJQZ-UHFFFAOYSA-N -1 1 309.742 2.324 20 30 DEEDMM N#Cc1nc(F)ccc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592706247 1076956372 /nfs/dbraw/zinc/95/63/72/1076956372.db2.gz PWVXUTMIQWCWHW-UHFFFAOYSA-N -1 1 317.671 2.113 20 30 DEEDMM N#Cc1nc(F)ccc1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592706247 1076956377 /nfs/dbraw/zinc/95/63/77/1076956377.db2.gz PWVXUTMIQWCWHW-UHFFFAOYSA-N -1 1 317.671 2.113 20 30 DEEDMM N#Cc1ncc(N2CCC[C@H]2CC2CCCC2)nc1-c1nn[n-]n1 ZINC001592708389 1076957084 /nfs/dbraw/zinc/95/70/84/1076957084.db2.gz NPRDSPVIISITJT-LBPRGKRZSA-N -1 1 324.392 2.077 20 30 DEEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccnc(F)c1 ZINC001592792283 1076960309 /nfs/dbraw/zinc/96/03/09/1076960309.db2.gz YYWHANGKAMESKL-HNQUOIGGSA-N -1 1 301.306 2.358 20 30 DEEDMM CC(C)CN(CCC#N)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001597774574 1077101085 /nfs/dbraw/zinc/10/10/85/1077101085.db2.gz LYBFAUSIMCCDGZ-UHFFFAOYSA-N -1 1 303.391 2.030 20 30 DEEDMM Cc1cc(C(C#N)C(=O)Cc2ccc(C(=O)[O-])cc2)nc(C)n1 ZINC001600138286 1077144664 /nfs/dbraw/zinc/14/46/64/1077144664.db2.gz GZCVIIPRBZEUJB-AWEZNQCLSA-N -1 1 309.325 2.211 20 30 DEEDMM Cn1nccc1[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001601036124 1077324295 /nfs/dbraw/zinc/32/42/95/1077324295.db2.gz DVXHRPPQLDIQEY-CQSZACIVSA-N -1 1 324.384 2.370 20 30 DEEDMM Cn1nccc1[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001601036123 1077324927 /nfs/dbraw/zinc/32/49/27/1077324927.db2.gz DVXHRPPQLDIQEY-AWEZNQCLSA-N -1 1 324.384 2.370 20 30 DEEDMM N#Cc1ccc([C@H](NCc2cccc3c2OCC3)C(=O)[O-])cc1 ZINC001601096633 1077338447 /nfs/dbraw/zinc/33/84/47/1077338447.db2.gz HOCAGHPDTPVLNS-INIZCTEOSA-N -1 1 308.337 2.409 20 30 DEEDMM N#Cc1ccc(O)c(NC(=O)c2ccsc2CC(=O)[O-])c1 ZINC001601108689 1077340876 /nfs/dbraw/zinc/34/08/76/1077340876.db2.gz OSAVGZYJJDWZIY-UHFFFAOYSA-N -1 1 302.311 2.205 20 30 DEEDMM C=C(CNC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccccc1 ZINC001609052163 1077748882 /nfs/dbraw/zinc/74/88/82/1077748882.db2.gz OPZDTQFVCHNAIW-UHFFFAOYSA-N -1 1 309.329 2.211 20 30 DEEDMM C=C(CNC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccccc1 ZINC001609052163 1077748888 /nfs/dbraw/zinc/74/88/88/1077748888.db2.gz OPZDTQFVCHNAIW-UHFFFAOYSA-N -1 1 309.329 2.211 20 30 DEEDMM CC(C)c1c(Cl)ncnc1N=NCc1cc(C(=O)[O-])no1 ZINC001609718423 1077908406 /nfs/dbraw/zinc/90/84/06/1077908406.db2.gz YYMDVUGMGORGCH-UHFFFAOYSA-N -1 1 309.713 2.386 20 30 DEEDMM COC(=O)c1cccc(CN(C[C@@H](C)C(=O)[O-])C2CC2)c1C#N ZINC001610214930 1077990682 /nfs/dbraw/zinc/99/06/82/1077990682.db2.gz 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1143376951 /nfs/dbraw/zinc/37/69/51/1143376951.db2.gz IFTQLHPBRIXGLR-JTQLQIEISA-N -1 1 321.816 2.385 20 30 DEEDMM N#Cc1ccc(S(=O)(=O)[N-]c2nc(F)c(F)cc2F)cc1 ZINC001258036360 1143968468 /nfs/dbraw/zinc/96/84/68/1143968468.db2.gz WOWYJMDQMXEPGU-UHFFFAOYSA-N -1 1 313.260 2.171 20 30 DEEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1CO ZINC001259125891 1144068120 /nfs/dbraw/zinc/06/81/20/1144068120.db2.gz YFXFZOFWPOCPJV-UHFFFAOYSA-N -1 1 302.355 2.160 20 30 DEEDMM CCc1cccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)n1 ZINC001260039381 1144171316 /nfs/dbraw/zinc/17/13/16/1144171316.db2.gz ZKOLGUPKJMRRCV-UHFFFAOYSA-N -1 1 301.371 2.458 20 30 DEEDMM N#Cc1ccc(CS(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1 ZINC001260039532 1144172069 /nfs/dbraw/zinc/17/20/69/1144172069.db2.gz LJNWEYBEMWBWKZ-UHFFFAOYSA-N -1 1 312.301 2.092 20 30 DEEDMM C=CC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C(=O)OC ZINC001262054561 1144288070 /nfs/dbraw/zinc/28/80/70/1144288070.db2.gz LIZAIVQBAMBINP-CYBMUJFWSA-N -1 1 304.302 2.253 20 30 DEEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(CC)CC(C)C ZINC001263322160 1144368698 /nfs/dbraw/zinc/36/86/98/1144368698.db2.gz GCNRFTJQYIVGMM-UHFFFAOYSA-N -1 1 304.398 2.432 20 30 DEEDMM N#CCc1cccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)n1 ZINC001364984144 1145731712 /nfs/dbraw/zinc/73/17/12/1145731712.db2.gz RYFLUNCLZYRQNO-LSDHHAIUSA-N -1 1 313.382 2.445 20 30 DEEDMM C=CCOCCCC(=O)Nc1nc(C(=O)OCC)c(Cl)[n-]1 ZINC001289090831 1146819522 /nfs/dbraw/zinc/81/95/22/1146819522.db2.gz DPDQQRMLDYTFJQ-UHFFFAOYSA-N -1 1 315.757 2.161 20 30 DEEDMM C#C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1ccc(F)cc1 ZINC001306849212 1147390464 /nfs/dbraw/zinc/39/04/64/1147390464.db2.gz JWTURZUXAWHWQQ-GFCCVEGCSA-N -1 1 303.264 2.480 20 30 DEEDMM O=C([C@@H]1Cc2ccccc2C(=O)O1)N([O-])Cc1ccc(F)cc1 ZINC001306899794 1147393102 /nfs/dbraw/zinc/39/31/02/1147393102.db2.gz BUHMDCRVPQKLIT-HNNXBMFYSA-N -1 1 315.300 2.325 20 30 DEEDMM N#CC(=C([O-])c1cccc(C(=O)N2CCCC2)n1)c1ccccn1 ZINC000076825345 185045378 /nfs/dbraw/zinc/04/53/78/185045378.db2.gz 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362607318 /nfs/dbraw/zinc/60/73/18/362607318.db2.gz LMJLPVSORQVJBW-OAHLLOKOSA-N -1 1 310.357 2.283 20 30 DEEDMM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)s1 ZINC000286846641 219193517 /nfs/dbraw/zinc/19/35/17/219193517.db2.gz KRMJBIODBSDOOI-VIFPVBQESA-N -1 1 310.400 2.431 20 30 DEEDMM [O-]/C(Cc1cn2ccsc2[nH+]1)=N\c1nc(C(F)(F)F)n[n-]1 ZINC000044910077 354245265 /nfs/dbraw/zinc/24/52/65/354245265.db2.gz ZHYHJPIAQDILRJ-UHFFFAOYSA-N -1 1 316.268 2.363 20 30 DEEDMM CO[C@H](C)c1nc(CNC(=O)c2cc([O-])cc(C#N)c2)cs1 ZINC000589189285 357452846 /nfs/dbraw/zinc/45/28/46/357452846.db2.gz CGZVLZBNEWJFPN-SECBINFHSA-N -1 1 317.370 2.358 20 30 DEEDMM C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C[C@@H]1n1ccnc1 ZINC000589190672 357453112 /nfs/dbraw/zinc/45/31/12/357453112.db2.gz CZLIGJXSDRNUFT-LRDDRELGSA-N -1 1 310.357 2.184 20 30 DEEDMM CO[C@H]1C[C@@H](N(C)C(=O)c2cc([O-])cc(C#N)c2)C12CCC2 ZINC000590881076 357633618 /nfs/dbraw/zinc/63/36/18/357633618.db2.gz LPXKHNAKVFYYQR-CABCVRRESA-N -1 1 300.358 2.293 20 30 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CCc1ccc([C@H](C)Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001570922816 948647677 /nfs/dbraw/zinc/64/76/77/948647677.db2.gz MZQFDYZPUDIXGH-JTQLQIEISA-N -1 1 320.360 2.264 20 30 DEEDMM Cn1nccc1C[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC001571165744 961995125 /nfs/dbraw/zinc/99/51/25/961995125.db2.gz PGTWPXFOEMKBGB-HNNXBMFYSA-N -1 1 324.384 2.197 20 30 DEEDMM C#Cc1ccc(CNCc2snc(OC)c2C(=O)[O-])cc1 ZINC001573311519 962705766 /nfs/dbraw/zinc/70/57/66/962705766.db2.gz BGIFTEHKPOUHEU-UHFFFAOYSA-N -1 1 302.355 2.121 20 30 DEEDMM C=CCCC[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)C(=O)[O-] ZINC001588789753 984200897 /nfs/dbraw/zinc/20/08/97/984200897.db2.gz IZKIUJJNLDCBMY-DDTOSNHZSA-N -1 1 305.378 2.001 20 30 DEEDMM CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C(=O)[O-])cc1C ZINC001589016713 984997861 /nfs/dbraw/zinc/99/78/61/984997861.db2.gz GIVATXZUOHITDD-HUUCEWRRSA-N -1 1 314.389 2.277 20 30 DEEDMM COc1nsc(CNCc2ccc(C)c(C#N)c2)c1C(=O)[O-] ZINC001599741300 991861713 /nfs/dbraw/zinc/86/17/13/991861713.db2.gz 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/nfs/dbraw/zinc/53/05/40/1067530540.db2.gz NNDLWORSVSEDRC-UHFFFAOYSA-N -1 1 324.373 2.135 20 30 DEEDMM C#C[C@@H](NC(=O)c1c(C)[n-]c(=O)nc1SC)c1ccccc1 ZINC001570677422 1068063871 /nfs/dbraw/zinc/06/38/71/1068063871.db2.gz CKSAEFYYYPENPH-GFCCVEGCSA-N -1 1 313.382 2.317 20 30 DEEDMM C#CC1(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)CCCC1 ZINC001641819272 1078730251 /nfs/dbraw/zinc/73/02/51/1078730251.db2.gz FPUMFIRCTCDIDN-UHFFFAOYSA-N -1 1 310.353 2.213 20 30 DEEDMM C=C[C@H](C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC001521556341 1069252760 /nfs/dbraw/zinc/25/27/60/1069252760.db2.gz ZJNLUZDZMZYRKR-KGLIPLIRSA-N -1 1 313.357 2.451 20 30 DEEDMM Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1C#N ZINC001581171094 1076047502 /nfs/dbraw/zinc/04/75/02/1076047502.db2.gz RZBYPHTYZKLPPV-UHFFFAOYSA-N -1 1 324.369 2.038 20 30 DEEDMM Cc1cccc([C@@H](C)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001581233430 1076055924 /nfs/dbraw/zinc/05/59/24/1076055924.db2.gz QHZJPJISSGVXCI-NSHDSACASA-N -1 1 320.360 2.052 20 30 DEEDMM Cc1cccc([C@@H](C)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001581233430 1076055930 /nfs/dbraw/zinc/05/59/30/1076055930.db2.gz QHZJPJISSGVXCI-NSHDSACASA-N -1 1 320.360 2.052 20 30 DEEDMM Cc1nc(-c2nnn[n-]2)n(CC#Cc2cccc(Cl)c2)c1C ZINC001581411144 1076070740 /nfs/dbraw/zinc/07/07/40/1076070740.db2.gz MZZIDWRULIXOAG-UHFFFAOYSA-N -1 1 312.764 2.385 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)n(CC#Cc2cccc(Cl)c2)c1C ZINC001581411144 1076070743 /nfs/dbraw/zinc/07/07/43/1076070743.db2.gz MZZIDWRULIXOAG-UHFFFAOYSA-N -1 1 312.764 2.385 20 30 DEEDMM N#Cc1ncc(N[C@@H]2CCCc3ccccc32)nc1-c1nn[n-]n1 ZINC001581884307 1076108556 /nfs/dbraw/zinc/10/85/56/1076108556.db2.gz UFESVISEEHAENP-GFCCVEGCSA-N -1 1 318.344 2.018 20 30 DEEDMM N#CCn1cc(NC(=O)c2ccc3ccc(O)cc3c2[O-])cn1 ZINC001583623315 1076270084 /nfs/dbraw/zinc/27/00/84/1076270084.db2.gz LKSWSYXJNHEUSD-UHFFFAOYSA-N -1 1 308.297 2.223 20 30 DEEDMM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001588330118 1076440673 /nfs/dbraw/zinc/44/06/73/1076440673.db2.gz 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324.392 2.077 20 30 DEEDMM Cn1nc(Cl)c(C(=O)[N-]Oc2cccc(C#N)c2)c1Cl ZINC001631987269 1078376425 /nfs/dbraw/zinc/37/64/25/1078376425.db2.gz RKHIYULZOUHVEC-UHFFFAOYSA-N -1 1 311.128 2.322 20 30 DEEDMM N#Cc1cncc(CNC(=O)c2c([O-])cnc3c(F)cccc32)c1 ZINC001638835549 1078583667 /nfs/dbraw/zinc/58/36/67/1078583667.db2.gz QAILQOLBCXAMKI-UHFFFAOYSA-N -1 1 322.299 2.276 20 30 DEEDMM C#C[C@H](NC(=O)c1cnc(SC)[n-]c1=O)c1ccc(F)cc1 ZINC001641283651 1078703590 /nfs/dbraw/zinc/70/35/90/1078703590.db2.gz ZAQHKNKQRMLTML-LBPRGKRZSA-N -1 1 317.345 2.148 20 30 DEEDMM N#Cc1cccc(-c2nc(NC(=O)c3ccccc3[O-])n[nH]2)c1 ZINC001641929553 1078736045 /nfs/dbraw/zinc/73/60/45/1078736045.db2.gz DHUNXBRPMXMFRI-UHFFFAOYSA-N -1 1 305.297 2.301 20 30 DEEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001515030700 1068828698 /nfs/dbraw/zinc/82/86/98/1068828698.db2.gz APPVPWXMCXJNMH-AOOOYVTPSA-N -1 1 321.816 2.385 20 30 DEEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC(F)(F)CC1 ZINC001515654074 1068891460 /nfs/dbraw/zinc/89/14/60/1068891460.db2.gz DHXUFNQGFXVCOO-UHFFFAOYSA-N -1 1 324.335 2.185 20 30 DEEDMM CCn1ccnc1C(C#N)=C([O-])c1cnn(C)c1C(F)(F)F ZINC001646898878 1074679634 /nfs/dbraw/zinc/67/96/34/1074679634.db2.gz SNKOCLKUBZWGEK-MRVPVSSYSA-N -1 1 311.267 2.145 20 30 DEEDMM Cc1ccc(Oc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1Cl ZINC001581210720 1076051476 /nfs/dbraw/zinc/05/14/76/1076051476.db2.gz AESBNYZFBNNWBS-UHFFFAOYSA-N -1 1 313.708 2.283 20 30 DEEDMM Cc1nc(Oc2ccc(C#N)cc2Cl)cc(-c2nnn[n-]2)n1 ZINC001581530449 1076078246 /nfs/dbraw/zinc/07/82/46/1076078246.db2.gz AHPGDXFNZDCZIB-UHFFFAOYSA-N -1 1 313.708 2.283 20 30 DEEDMM Cc1nc(Oc2ccc(C#N)cc2Cl)cc(-c2nn[n-]n2)n1 ZINC001581530449 1076078250 /nfs/dbraw/zinc/07/82/50/1076078250.db2.gz AHPGDXFNZDCZIB-UHFFFAOYSA-N -1 1 313.708 2.283 20 30 DEEDMM CC(C)(CCC#N)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001589272814 1076483638 /nfs/dbraw/zinc/48/36/38/1076483638.db2.gz PVKJRRNUUPIHFJ-UHFFFAOYSA-N -1 1 305.363 2.415 20 30 DEEDMM CC(C)(CCC#N)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589272814 1076483641 /nfs/dbraw/zinc/48/36/41/1076483641.db2.gz PVKJRRNUUPIHFJ-UHFFFAOYSA-N -1 1 305.363 2.415 20 30 DEEDMM C[C@@H](Sc1cnc(C#N)c(-c2nn[n-]n2)n1)c1cccs1 ZINC001590035758 1076548588 /nfs/dbraw/zinc/54/85/88/1076548588.db2.gz IULHENCHYIOAOE-SSDOTTSWSA-N -1 1 315.387 2.443 20 30 DEEDMM CC[C@@H](OCCn1cnc(C#N)c1-c1nn[n-]n1)c1ccccc1 ZINC001590479004 1076637903 /nfs/dbraw/zinc/63/79/03/1076637903.db2.gz JRELTBHPYKXSLQ-CQSZACIVSA-N -1 1 323.360 2.103 20 30 DEEDMM CCCC1CCC(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001590567403 1076653828 /nfs/dbraw/zinc/65/38/28/1076653828.db2.gz QCZKKVCXPQCJAU-UHFFFAOYSA-N -1 1 312.381 2.299 20 30 DEEDMM CCCC1CCC(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001590567403 1076653833 /nfs/dbraw/zinc/65/38/33/1076653833.db2.gz QCZKKVCXPQCJAU-UHFFFAOYSA-N -1 1 312.381 2.299 20 30 DEEDMM Cc1cc(NCC(C)(C)CC#N)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592039284 1076835354 /nfs/dbraw/zinc/83/53/54/1076835354.db2.gz PQXARUVWBIDGHI-UHFFFAOYSA-N -1 1 315.337 2.435 20 30 DEEDMM Cc1cc(NCC(C)(C)CC#N)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592039284 1076835359 /nfs/dbraw/zinc/83/53/59/1076835359.db2.gz PQXARUVWBIDGHI-UHFFFAOYSA-N -1 1 315.337 2.435 20 30 DEEDMM N#C[C@H]1CCC[C@@H](OC(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001592671996 1076949421 /nfs/dbraw/zinc/94/94/21/1076949421.db2.gz AKQMXUMGTAOVMD-WCBMZHEXSA-N -1 1 303.347 2.167 20 30 DEEDMM N#C[C@H]1CCC[C@@H](OC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001592671996 1076949427 /nfs/dbraw/zinc/94/94/27/1076949427.db2.gz AKQMXUMGTAOVMD-WCBMZHEXSA-N -1 1 303.347 2.167 20 30 DEEDMM N#Cc1c(-c2nn[n-]n2)ncn1C[C@@H]1CCCc2ccccc21 ZINC001592684178 1076951555 /nfs/dbraw/zinc/95/15/55/1076951555.db2.gz RFHHBKQRTYHEGJ-LBPRGKRZSA-N -1 1 305.345 2.055 20 30 DEEDMM N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592697564 1076954610 /nfs/dbraw/zinc/95/46/10/1076954610.db2.gz KEADEQHQGKCEEN-ZDUSSCGKSA-N -1 1 318.344 2.018 20 30 DEEDMM N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592697564 1076954613 /nfs/dbraw/zinc/95/46/13/1076954613.db2.gz KEADEQHQGKCEEN-ZDUSSCGKSA-N -1 1 318.344 2.018 20 30 DEEDMM N#Cc1ccc(OCc2nc(-c3nnn[n-]3)cs2)cc1Cl ZINC001592696553 1076954756 /nfs/dbraw/zinc/95/47/56/1076954756.db2.gz MBKCDCKIYZLCMY-UHFFFAOYSA-N -1 1 318.749 2.427 20 30 DEEDMM N#Cc1ccc(OCc2nc(-c3nn[n-]n3)cs2)cc1Cl ZINC001592696553 1076954759 /nfs/dbraw/zinc/95/47/59/1076954759.db2.gz MBKCDCKIYZLCMY-UHFFFAOYSA-N -1 1 318.749 2.427 20 30 DEEDMM N#Cc1ccc2c(c1)C(=O)C(=Cc1nc(-c3nnn[n-]3)cs1)C2 ZINC001592698039 1076954866 /nfs/dbraw/zinc/95/48/66/1076954866.db2.gz ZLLFMZSCSPYLJN-YHYXMXQVSA-N -1 1 320.337 2.017 20 30 DEEDMM N#Cc1ccc2c(c1)C(=O)C(=Cc1nc(-c3nn[n-]n3)cs1)C2 ZINC001592698039 1076954868 /nfs/dbraw/zinc/95/48/68/1076954868.db2.gz ZLLFMZSCSPYLJN-YHYXMXQVSA-N -1 1 320.337 2.017 20 30 DEEDMM O=C(c1ccc(-c2nn[n-]n2)o1)N(O)Cc1ccccc1Cl ZINC001593340963 1076999908 /nfs/dbraw/zinc/99/99/08/1076999908.db2.gz QXDNNIVFGFAPOC-UHFFFAOYSA-N -1 1 319.708 2.145 20 30 DEEDMM Cn1ncc(C2CC2)c1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001601026636 1077322752 /nfs/dbraw/zinc/32/27/52/1077322752.db2.gz JWYBIYNJGWWMQO-INIZCTEOSA-N -1 1 310.357 2.085 20 30 DEEDMM N#CC(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC001601047529 1077325103 /nfs/dbraw/zinc/32/51/03/1077325103.db2.gz SPISQMKJJJSKAR-YIZRAAEISA-N -1 1 319.267 2.328 20 30 DEEDMM N#Cc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1O ZINC001601093214 1077336938 /nfs/dbraw/zinc/33/69/38/1077336938.db2.gz XXIQNKDHFXLWGQ-UHFFFAOYSA-N -1 1 308.293 2.165 20 30 DEEDMM N#CC1(C(=O)[O-])CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC001608173812 1077603165 /nfs/dbraw/zinc/60/31/65/1077603165.db2.gz BXESPNOAWIFAMG-UHFFFAOYSA-N -1 1 310.300 2.478 20 30 DEEDMM N#Cc1ccc2nc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)[nH]c2c1 ZINC001608213748 1077611047 /nfs/dbraw/zinc/61/10/47/1077611047.db2.gz XTZCSNDZWIUCLZ-WDEREUQCSA-N -1 1 312.329 2.264 20 30 DEEDMM C#CCN(c1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCCC1 ZINC001609021190 1077743031 /nfs/dbraw/zinc/74/30/31/1077743031.db2.gz IHFIAOBCGGTOMP-UHFFFAOYSA-N -1 1 302.769 2.297 20 30 DEEDMM C#CCN(c1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCCC1 ZINC001609021190 1077743033 /nfs/dbraw/zinc/74/30/33/1077743033.db2.gz IHFIAOBCGGTOMP-UHFFFAOYSA-N -1 1 302.769 2.297 20 30 DEEDMM CCOC(=O)C(C)(C)ON=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC001609231375 1077808813 /nfs/dbraw/zinc/80/88/13/1077808813.db2.gz NSMFOHMKLZISAT-UHFFFAOYSA-N -1 1 323.378 2.011 20 30 DEEDMM Cc1cc([O-])cc2c1C(=O)C(=Cc1cccc(-c3nn[nH]n3)c1)O2 ZINC001609410302 1077853436 /nfs/dbraw/zinc/85/34/36/1077853436.db2.gz RQPMXSKCPMOVKI-AUWJEWJLSA-N -1 1 320.308 2.497 20 30 DEEDMM COC(=O)c1cccc(CN(C[C@H](C)C(=O)[O-])C2CC2)c1C#N ZINC001610214931 1077990257 /nfs/dbraw/zinc/99/02/57/1077990257.db2.gz LUGUGRFFGPJKOY-NSHDSACASA-N -1 1 316.357 2.030 20 30 DEEDMM CC#CCCSc1nc(C)c(CCC(=O)OCC)c(=O)[n-]1 ZINC001653047390 1079911020 /nfs/dbraw/zinc/91/10/20/1079911020.db2.gz JSERNVUPXQHESA-UHFFFAOYSA-N -1 1 308.403 2.492 20 30 DEEDMM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC001413350796 1083527466 /nfs/dbraw/zinc/52/74/66/1083527466.db2.gz AHFOASKKGWVIKW-XPTSAGLGSA-N -1 1 320.395 2.420 20 30 DEEDMM COc1ccc(N)cc1S(=O)(=O)[N-]c1cccc(C#N)c1F ZINC001216416583 1083582081 /nfs/dbraw/zinc/58/20/81/1083582081.db2.gz YSIIGDQLZQGGHZ-UHFFFAOYSA-N -1 1 321.333 2.089 20 30 DEEDMM N#Cc1cn(CC(=O)c2ccc([O-])cc2O)c2ccccc2c1=O ZINC001321397588 1141227247 /nfs/dbraw/zinc/22/72/47/1141227247.db2.gz OHXLJLHDRZGLKE-UHFFFAOYSA-N -1 1 320.304 2.167 20 30 DEEDMM COc1c([O-])c(C=NN[C@@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC001337008160 1142657205 /nfs/dbraw/zinc/65/72/05/1142657205.db2.gz UBMRVAFOWOEECR-SNVBAGLBSA-N -1 1 311.363 2.128 20 30 DEEDMM N#Cc1cc(NC[C@H](O)COCc2ccccc2)c([O-])cc1F ZINC001252292453 1142675139 /nfs/dbraw/zinc/67/51/39/1142675139.db2.gz AEQBRGKZOOBLIF-AWEZNQCLSA-N -1 1 316.332 2.393 20 30 DEEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC(C)(C)CC1 ZINC001338905614 1142890856 /nfs/dbraw/zinc/89/08/56/1142890856.db2.gz JVGOBVXLKADYGN-UHFFFAOYSA-N -1 1 302.382 2.186 20 30 DEEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)Cc1ccc(C)o1 ZINC001340537913 1143367472 /nfs/dbraw/zinc/36/74/72/1143367472.db2.gz FYORYSAKLOXFSF-UHFFFAOYSA-N -1 1 314.349 2.098 20 30 DEEDMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N(C)[C@H](C)CC#N ZINC001341756294 1143694663 /nfs/dbraw/zinc/69/46/63/1143694663.db2.gz RGAHCCKJNWULDG-SECBINFHSA-N -1 1 320.788 2.031 20 30 DEEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001342177190 1143801298 /nfs/dbraw/zinc/80/12/98/1143801298.db2.gz JYTLQXWTEAJANW-LLVKDONJSA-N -1 1 316.409 2.432 20 30 DEEDMM COc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258133063 1143976370 /nfs/dbraw/zinc/97/63/70/1143976370.db2.gz XECZBEKRTRNMEU-UHFFFAOYSA-N -1 1 313.338 2.239 20 30 DEEDMM CCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259083953 1144064292 /nfs/dbraw/zinc/06/42/92/1144064292.db2.gz VEORPCHDFXAHAX-LBPRGKRZSA-N -1 1 306.309 2.465 20 30 DEEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)C[C@@H]1CC1(C)C ZINC001263327925 1144369157 /nfs/dbraw/zinc/36/91/57/1144369157.db2.gz XVTXXPYQESCEAT-NSHDSACASA-N -1 1 316.409 2.432 20 30 DEEDMM COC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC001364801559 1145577437 /nfs/dbraw/zinc/57/74/37/1145577437.db2.gz UFYGRDOSKQNVJF-GFCCVEGCSA-N -1 1 322.411 2.286 20 30 DEEDMM N#Cc1ccc(CC(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC001364954000 1145709105 /nfs/dbraw/zinc/70/91/05/1145709105.db2.gz SUCNJVAPKSEHGO-UHFFFAOYSA-N -1 1 316.307 2.443 20 30 DEEDMM N#CCc1cccc([N-]S(=O)(=O)CCc2ccccc2F)n1 ZINC001365463682 1145874877 /nfs/dbraw/zinc/87/48/77/1145874877.db2.gz IOLROGRJPGRVIC-UHFFFAOYSA-N -1 1 319.361 2.271 20 30 DEEDMM CCc1cccc(NC(=O)CNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188402537 529538764 /nfs/dbraw/zinc/53/87/64/529538764.db2.gz XEONXSYRULGZOL-UHFFFAOYSA-N -1 1 323.352 2.195 20 30 DEEDMM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286766736 219154898 /nfs/dbraw/zinc/15/48/98/219154898.db2.gz FFBDGEZJPDWJKE-GXSJLCMTSA-N -1 1 300.405 2.104 20 30 DEEDMM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286766743 219155475 /nfs/dbraw/zinc/15/54/75/219155475.db2.gz FFBDGEZJPDWJKE-ONGXEEELSA-N -1 1 300.405 2.104 20 30 DEEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)o1 ZINC000286895984 219215611 /nfs/dbraw/zinc/21/56/11/219215611.db2.gz NWFSEWPKVVFLKF-ZDUSSCGKSA-N -1 1 318.354 2.343 20 30 DEEDMM CCCN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H](CC)C(=O)OCC ZINC000616545404 362886517 /nfs/dbraw/zinc/88/65/17/362886517.db2.gz FZCVQWPNJGZGML-HNNXBMFYSA-N -1 1 318.373 2.458 20 30 DEEDMM C=CC[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186737477 796436272 /nfs/dbraw/zinc/43/62/72/796436272.db2.gz QDCUOXIEKKPUNI-UHFFFAOYSA-N -1 1 312.135 2.192 20 30 DEEDMM COC(=O)c1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041574903 354175360 /nfs/dbraw/zinc/17/53/60/354175360.db2.gz DDPWDMBRVOWZLN-CQSZACIVSA-N -1 1 309.325 2.370 20 30 DEEDMM N#Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1[O-] ZINC000188726809 283131167 /nfs/dbraw/zinc/13/11/67/283131167.db2.gz TYBYYLYUHIXLQK-BMFZPTHFSA-N -1 1 312.369 2.341 20 30 DEEDMM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000587977147 357384201 /nfs/dbraw/zinc/38/42/01/357384201.db2.gz MKYVZGKMNDOLBD-DOMZBBRYSA-N -1 1 302.374 2.420 20 30 DEEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)c1 ZINC000589184455 357451291 /nfs/dbraw/zinc/45/12/91/357451291.db2.gz OLYUWOBPQWGGFD-UHFFFAOYSA-N -1 1 307.309 2.401 20 30 DEEDMM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589190676 357453268 /nfs/dbraw/zinc/45/32/68/357453268.db2.gz DKRNXYZAGOCGTC-INIZCTEOSA-N -1 1 310.357 2.283 20 30 DEEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000589191106 357453567 /nfs/dbraw/zinc/45/35/67/357453567.db2.gz KNRZVEYWCMVGHI-CJNGLKHVSA-N -1 1 318.398 2.048 20 30 DEEDMM CN(CC1(O)CCCCCC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589208129 357455707 /nfs/dbraw/zinc/45/57/07/357455707.db2.gz SEHVJHNKMKSHDR-UHFFFAOYSA-N -1 1 302.374 2.421 20 30 DEEDMM Cc1[n-][nH]c(=O)c1NC(=O)CSCc1ccc(C#N)cc1 ZINC000590396706 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C=CCCC[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001602834248 1069768933 /nfs/dbraw/zinc/76/89/33/1069768933.db2.gz MGMFLXGNLBJIRA-NSHDSACASA-N -1 1 301.350 2.092 20 30 DEEDMM C=CCCC[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001602834248 1069768943 /nfs/dbraw/zinc/76/89/43/1069768943.db2.gz MGMFLXGNLBJIRA-NSHDSACASA-N -1 1 301.350 2.092 20 30 DEEDMM C=CCC1(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)CCCC1 ZINC001602849091 1069777566 /nfs/dbraw/zinc/77/75/66/1069777566.db2.gz AYUPNIVLUJJKJD-AWEZNQCLSA-N -1 1 308.422 2.130 20 30 DEEDMM C=CCSCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001602870289 1069782855 /nfs/dbraw/zinc/78/28/55/1069782855.db2.gz JRSVKFYBJJEAQR-UHFFFAOYSA-N -1 1 306.351 2.106 20 30 DEEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCCC1(C)C ZINC001524183711 1069844763 /nfs/dbraw/zinc/84/47/63/1069844763.db2.gz YZJZMZQRRVPGHG-UHFFFAOYSA-N -1 1 302.382 2.329 20 30 DEEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCCC[C@H]2CCOC2)o1 ZINC001603406827 1069963792 /nfs/dbraw/zinc/96/37/92/1069963792.db2.gz 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1071113740 /nfs/dbraw/zinc/11/37/40/1071113740.db2.gz QEIKJKIHGUNZIJ-UHFFFAOYSA-N -1 1 307.289 2.047 20 30 DEEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@](C)(O)c1ccccc1 ZINC001452771854 1057140942 /nfs/dbraw/zinc/14/09/42/1057140942.db2.gz KMBLPEJXOUEBPU-KZULUSFZSA-N -1 1 310.353 2.290 20 30 DEEDMM N#Cc1ccc(C(=O)NCc2cnc(C(F)(F)F)nc2)cc1[O-] ZINC001453351043 1057270449 /nfs/dbraw/zinc/27/04/49/1057270449.db2.gz WEAPERIBUVLDEX-UHFFFAOYSA-N -1 1 322.246 2.003 20 30 DEEDMM C=C[C@@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccccc1 ZINC001470630055 1060122067 /nfs/dbraw/zinc/12/20/67/1060122067.db2.gz ULECMXOVQNUWOJ-HZPDHXFCSA-N -1 1 319.368 2.375 20 30 DEEDMM C[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccc(C#N)cc1 ZINC001625329219 1078242386 /nfs/dbraw/zinc/24/23/86/1078242386.db2.gz WEXKBZJVBSXZTR-JTQLQIEISA-N -1 1 323.381 2.381 20 30 DEEDMM Cc1c(C(=O)Nc2ccc([O-])c(F)c2F)cnn1CCC#N ZINC001627443103 1078276397 /nfs/dbraw/zinc/27/63/97/1078276397.db2.gz RCOCFYNAFCRAAS-UHFFFAOYSA-N -1 1 306.272 2.341 20 30 DEEDMM C=C[C@@](C)(O)CC(=O)Nc1ccc(Br)c([O-])c1 ZINC001632992283 1078395305 /nfs/dbraw/zinc/39/53/05/1078395305.db2.gz AMXVEBYHYDFAAC-GFCCVEGCSA-N -1 1 300.152 2.420 20 30 DEEDMM C#CCC1(NC(=O)c2cnc(SC)[n-]c2=O)CCCCC1 ZINC001635707965 1078456813 /nfs/dbraw/zinc/45/68/13/1078456813.db2.gz IRIMCOOFNAAIQD-UHFFFAOYSA-N -1 1 305.403 2.360 20 30 DEEDMM N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)C2 ZINC001559026282 1075110846 /nfs/dbraw/zinc/11/08/46/1075110846.db2.gz CXAPSZYQYYINBN-LBPRGKRZSA-N -1 1 312.300 2.006 20 30 DEEDMM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(-c2nn[n-]n2)s1 ZINC001588776389 1076464233 /nfs/dbraw/zinc/46/42/33/1076464233.db2.gz KWKXEUGPAGLVAV-JTQLQIEISA-N -1 1 320.422 2.199 20 30 DEEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccs2)o1 ZINC001589774237 1076513831 /nfs/dbraw/zinc/51/38/31/1076513831.db2.gz UWMVVOFHHDKSGL-UHFFFAOYSA-N -1 1 303.351 2.486 20 30 DEEDMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001590014874 1076547326 /nfs/dbraw/zinc/54/73/26/1076547326.db2.gz 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324.383 2.153 20 30 DEEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(OC[C@H]2CCCO2)c1 ZINC000416951887 404974887 /nfs/dbraw/zinc/97/48/87/404974887.db2.gz SFZPCGLJWNPRLC-CABCVRRESA-N -1 1 324.402 2.288 20 30 DEEDMM CCOc1ccc(F)c([N-]S(=O)(=O)[C@@H](C#N)CC)c1F ZINC000416955927 404976070 /nfs/dbraw/zinc/97/60/70/404976070.db2.gz MQKJRTIHJLKYGZ-MRVPVSSYSA-N -1 1 304.318 2.407 20 30 DEEDMM C=CCCOCCCCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425328702 405274325 /nfs/dbraw/zinc/27/43/25/405274325.db2.gz YFXIHHXFOWJIHH-UHFFFAOYSA-N -1 1 323.393 2.244 20 30 DEEDMM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)[nH]1 ZINC000489182526 406382283 /nfs/dbraw/zinc/38/22/83/406382283.db2.gz KUGLRNOBCNYORU-ZJUUUORDSA-N -1 1 313.361 2.386 20 30 DEEDMM N#Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1[O-] ZINC000188363510 225018524 /nfs/dbraw/zinc/01/85/24/225018524.db2.gz QQLQTDUSZGSOIB-UHFFFAOYSA-N -1 1 318.336 2.380 20 30 DEEDMM O=c1nc(N=NC2CCCC23CCCCC3)nc2[nH][n-]cc1-2 ZINC000834957337 649863021 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C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735425862 598990784 /nfs/dbraw/zinc/99/07/84/598990784.db2.gz IXAZYFHLCOBHML-UHFFFAOYSA-N -1 1 320.356 2.090 20 30 DEEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735425862 598990786 /nfs/dbraw/zinc/99/07/86/598990786.db2.gz IXAZYFHLCOBHML-UHFFFAOYSA-N -1 1 320.356 2.090 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3ccc(C)cc32)o1 ZINC000737371763 598492797 /nfs/dbraw/zinc/49/27/97/598492797.db2.gz KYDTWGBKKJPSLE-UHFFFAOYSA-N -1 1 309.333 2.234 20 30 DEEDMM C=C(C)CN(CC)C(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000316666768 599779852 /nfs/dbraw/zinc/77/98/52/599779852.db2.gz ACFQZRVIWOKBAM-ZNMIVQPWSA-N -1 1 308.422 2.129 20 30 DEEDMM Cn1c2ccccc2[nH]c1=NN=Cc1cc(C(=O)[O-])ccc1O ZINC000739014971 599906754 /nfs/dbraw/zinc/90/67/54/599906754.db2.gz ZPXXAIKLBDATGR-UHFFFAOYSA-N -1 1 310.313 2.423 20 30 DEEDMM O=C([O-])c1ccc2[nH]cc(C=NNCCN3CCCCC3)c2c1 ZINC000740190740 600181885 /nfs/dbraw/zinc/18/18/85/600181885.db2.gz 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O=C(C=Cc1cnc2ccccn12)c1ccc(-c2nn[n-]n2)s1 ZINC000826402939 608094203 /nfs/dbraw/zinc/09/42/03/608094203.db2.gz GKWBBOBHEMXHGT-PLNGDYQASA-N -1 1 322.353 2.472 20 30 DEEDMM C=CC[C@H]1CCN1C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000890560699 622663717 /nfs/dbraw/zinc/66/37/17/622663717.db2.gz KWRMHPPEZCMHCZ-ZDUSSCGKSA-N -1 1 314.389 2.161 20 30 DEEDMM N#CC1(CC(=O)NCc2cccc(Cl)c2[O-])CCOCC1 ZINC000890761127 623199676 /nfs/dbraw/zinc/19/96/76/623199676.db2.gz LMLUOTOWUYTDLD-UHFFFAOYSA-N -1 1 308.765 2.372 20 30 DEEDMM COc1cnc([C@H]2CCC[N@@H+]2CCc2ccc(C#N)cc2)[nH]c1=O ZINC000934269365 624814955 /nfs/dbraw/zinc/81/49/55/624814955.db2.gz GNJUIYOZSVWLOX-OAHLLOKOSA-N -1 1 324.384 2.442 20 30 DEEDMM C=C(Cl)CN1CC[C@H](NC(=O)c2ncccc2[O-])C[C@@H]1C ZINC000947231637 624895036 /nfs/dbraw/zinc/89/50/36/624895036.db2.gz NJKLIYJHBMHTDG-RYUDHWBXSA-N -1 1 309.797 2.122 20 30 DEEDMM C=C1CCC(C(=O)Nc2nc3nc(CCC)cc(=O)n3[n-]2)CC1 ZINC000893072681 625092037 /nfs/dbraw/zinc/09/20/37/625092037.db2.gz 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O=c1cn[n-]c(=S)n1N=Cc1cc(-c2ccccc2)ccc1O ZINC000766475629 640886081 /nfs/dbraw/zinc/88/60/81/640886081.db2.gz UHLYTEUOFDWYAF-UHFFFAOYSA-N -1 1 324.365 2.182 20 30 DEEDMM CC(C)[C@@H](C#N)N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000769747277 641284172 /nfs/dbraw/zinc/28/41/72/641284172.db2.gz BHTYSPFPXSNABK-CYBMUJFWSA-N -1 1 321.808 2.352 20 30 DEEDMM [O-]c1c(O)cc(C=NNCC(F)(F)F)cc1Br ZINC000769808056 641294989 /nfs/dbraw/zinc/29/49/89/641294989.db2.gz IWHJTDXRBDRCCT-UHFFFAOYSA-N -1 1 313.073 2.346 20 30 DEEDMM C#C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)[C@H]1CCCO1 ZINC000775334300 642031036 /nfs/dbraw/zinc/03/10/36/642031036.db2.gz ZCCRNSJJBXUZGV-CHWSQXEVSA-N -1 1 323.776 2.355 20 30 DEEDMM C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc(C#N)c1 ZINC000900905125 642512372 /nfs/dbraw/zinc/51/23/72/642512372.db2.gz XOUJKNYSFVOXSZ-SNVBAGLBSA-N -1 1 308.341 2.422 20 30 DEEDMM CS[C@@H]1CCCC(=NN=C2[N-]S(=O)(=O)c3ccccc32)C1 ZINC000901167797 642586920 /nfs/dbraw/zinc/58/69/20/642586920.db2.gz 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/nfs/dbraw/zinc/93/41/33/1070934133.db2.gz KQIGVXZPBXMHDP-UHFFFAOYSA-N -1 1 309.358 2.296 20 30 DEEDMM N#CCCCOc1cccc(Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001606348321 1071131768 /nfs/dbraw/zinc/13/17/68/1071131768.db2.gz RKECLARPSFBVMV-UHFFFAOYSA-N -1 1 322.332 2.083 20 30 DEEDMM N#CCCCOc1cccc(Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001606348321 1071131774 /nfs/dbraw/zinc/13/17/74/1071131774.db2.gz RKECLARPSFBVMV-UHFFFAOYSA-N -1 1 322.332 2.083 20 30 DEEDMM N#CCC[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001606345310 1071129283 /nfs/dbraw/zinc/12/92/83/1071129283.db2.gz BGMVLGPGGQDPJV-LBPRGKRZSA-N -1 1 306.333 2.114 20 30 DEEDMM N#CCC[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001606345310 1071129287 /nfs/dbraw/zinc/12/92/87/1071129287.db2.gz BGMVLGPGGQDPJV-LBPRGKRZSA-N -1 1 306.333 2.114 20 30 DEEDMM N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC001606380760 1071137955 /nfs/dbraw/zinc/13/79/55/1071137955.db2.gz FAEVSEXINKIILI-ZDUSSCGKSA-N -1 1 318.344 2.018 20 30 DEEDMM N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC001606380760 1071137963 /nfs/dbraw/zinc/13/79/63/1071137963.db2.gz FAEVSEXINKIILI-ZDUSSCGKSA-N -1 1 318.344 2.018 20 30 DEEDMM COC(=O)c1[nH]c(CN=Nc2cccc(F)c2C(=O)[O-])cc1C ZINC001606522444 1071159107 /nfs/dbraw/zinc/15/91/07/1071159107.db2.gz KMYLXYMTSFINDV-UHFFFAOYSA-N -1 1 319.292 2.393 20 30 DEEDMM CSc1nc(CNc2cccc(C#N)c2[N+](=O)[O-])cc(=O)[n-]1 ZINC001458460866 1058064559 /nfs/dbraw/zinc/06/45/59/1058064559.db2.gz KFFUSHPWJBJDBW-UHFFFAOYSA-N -1 1 317.330 2.296 20 30 DEEDMM Cc1nsc([N-]C(=O)c2ncoc2-c2ccon2)c1C#N ZINC001459430474 1058159684 /nfs/dbraw/zinc/15/96/84/1058159684.db2.gz ZMRPOTNVNXNJBJ-UHFFFAOYSA-N -1 1 301.287 2.219 20 30 DEEDMM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1c[n-]nc1Cl ZINC001463107465 1058933577 /nfs/dbraw/zinc/93/35/77/1058933577.db2.gz KFXXBUDWOLJMDF-UHFFFAOYSA-N -1 1 311.750 2.319 20 30 DEEDMM N#Cc1cncc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])c1 ZINC001471970544 1060350296 /nfs/dbraw/zinc/35/02/96/1060350296.db2.gz ODHVQZKYXIHCEW-UHFFFAOYSA-N -1 1 319.320 2.448 20 30 DEEDMM CC[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001578477742 1067115512 /nfs/dbraw/zinc/11/55/12/1067115512.db2.gz SXXUGSYZXIWRHD-NSHDSACASA-N -1 1 324.323 2.231 20 30 DEEDMM CN(C(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001578946485 1067208412 /nfs/dbraw/zinc/20/84/12/1067208412.db2.gz YAIUCYFYYZWMKZ-UHFFFAOYSA-N -1 1 310.342 2.076 20 30 DEEDMM C=CC(C)(C)C(=O)N[C@H](C)CCCNC(=O)c1ncccc1[O-] ZINC001572135340 1068660943 /nfs/dbraw/zinc/66/09/43/1068660943.db2.gz UNUZVLSSXNMKPN-GFCCVEGCSA-N -1 1 319.405 2.014 20 30 DEEDMM CCn1ccnc1C(C#N)=C([O-])c1cc(C(F)(F)F)ncn1 ZINC001520036567 1069090662 /nfs/dbraw/zinc/09/06/62/1069090662.db2.gz OBRFZBNGAKQGRH-MRVPVSSYSA-N -1 1 309.251 2.202 20 30 DEEDMM CCCC[C@@H](ON=C(C)C)C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001644717595 1078858698 /nfs/dbraw/zinc/85/86/98/1078858698.db2.gz XGAUKFMDNCFGMA-CYBMUJFWSA-N -1 1 324.429 2.156 20 30 DEEDMM CC(C)Oc1ccc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001574342037 1069200143 /nfs/dbraw/zinc/20/01/43/1069200143.db2.gz HOALCQSVXSBPRF-UHFFFAOYSA-N -1 1 322.332 2.059 20 30 DEEDMM CC(C)Oc1ccc(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001574342043 1069201157 /nfs/dbraw/zinc/20/11/57/1069201157.db2.gz HQACNJNGSTYSCZ-UHFFFAOYSA-N -1 1 322.332 2.059 20 30 DEEDMM CC(C)Oc1ccc(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001574342043 1069201160 /nfs/dbraw/zinc/20/11/60/1069201160.db2.gz HQACNJNGSTYSCZ-UHFFFAOYSA-N -1 1 322.332 2.059 20 30 DEEDMM CN(CCOCc1ccc(C#N)cc1)Cc1ccc(C(=O)[O-])[nH]1 ZINC001574559446 1069238050 /nfs/dbraw/zinc/23/80/50/1069238050.db2.gz DBXNJMFQLQUFFQ-UHFFFAOYSA-N -1 1 313.357 2.233 20 30 DEEDMM C[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1cccc(C#N)c1 ZINC001558359242 1075091348 /nfs/dbraw/zinc/09/13/48/1075091348.db2.gz WKLMLULRWJXDAN-SNVBAGLBSA-N -1 1 323.381 2.381 20 30 DEEDMM Cc1ccccc1[C@H](C)N(C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001581261381 1076060635 /nfs/dbraw/zinc/06/06/35/1076060635.db2.gz DRDNJAIAHQJDON-NSHDSACASA-N -1 1 320.360 2.034 20 30 DEEDMM Cc1ccccc1[C@H](C)N(C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001581261381 1076060644 /nfs/dbraw/zinc/06/06/44/1076060644.db2.gz DRDNJAIAHQJDON-NSHDSACASA-N -1 1 320.360 2.034 20 30 DEEDMM N#Cc1ccc2c(c1)CCN2C(=O)c1ccsc1-c1nnn[n-]1 ZINC001581874400 1076107109 /nfs/dbraw/zinc/10/71/09/1076107109.db2.gz QGHPCXPNANRTLZ-UHFFFAOYSA-N -1 1 322.353 2.003 20 30 DEEDMM N#Cc1ccc2c(c1)CCN2C(=O)c1ccsc1-c1nn[n-]n1 ZINC001581874400 1076107113 /nfs/dbraw/zinc/10/71/13/1076107113.db2.gz QGHPCXPNANRTLZ-UHFFFAOYSA-N -1 1 322.353 2.003 20 30 DEEDMM N#Cc1nc(NCCC2=CCCCCC2)cnc1-c1nnn[n-]1 ZINC001581880516 1076107843 /nfs/dbraw/zinc/10/78/43/1076107843.db2.gz MVIGRWOKTQFQKL-UHFFFAOYSA-N -1 1 310.365 2.221 20 30 DEEDMM N#Cc1nc(NCCC2=CCCCCC2)cnc1-c1nn[n-]n1 ZINC001581880516 1076107847 /nfs/dbraw/zinc/10/78/47/1076107847.db2.gz MVIGRWOKTQFQKL-UHFFFAOYSA-N -1 1 310.365 2.221 20 30 DEEDMM N#Cc1nc(N2CCCC[C@@H]2CC2CCC2)cnc1-c1nnn[n-]1 ZINC001581879665 1076108571 /nfs/dbraw/zinc/10/85/71/1076108571.db2.gz SXVGMOUOMIMYGJ-GFCCVEGCSA-N -1 1 324.392 2.077 20 30 DEEDMM N#Cc1nc(N2CCCC[C@@H]2CC2CCC2)cnc1-c1nn[n-]n1 ZINC001581879665 1076108576 /nfs/dbraw/zinc/10/85/76/1076108576.db2.gz SXVGMOUOMIMYGJ-GFCCVEGCSA-N -1 1 324.392 2.077 20 30 DEEDMM C#Cc1cccc(N(C)C(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC001585090206 1076336646 /nfs/dbraw/zinc/33/66/46/1076336646.db2.gz UGFWFYODRLZLMB-UHFFFAOYSA-N -1 1 308.366 2.276 20 30 DEEDMM C=C[C@@](C)(CC)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001588491417 1076450494 /nfs/dbraw/zinc/45/04/94/1076450494.db2.gz GQJKKQUWCAZRHO-INIZCTEOSA-N -1 1 312.377 2.143 20 30 DEEDMM C=C[C@@](C)(CC)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001588491417 1076450497 /nfs/dbraw/zinc/45/04/97/1076450497.db2.gz GQJKKQUWCAZRHO-INIZCTEOSA-N -1 1 312.377 2.143 20 30 DEEDMM C=C[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001588527522 1076451468 /nfs/dbraw/zinc/45/14/68/1076451468.db2.gz MYZCXMFHLLNLBG-MRVPVSSYSA-N -1 1 306.351 2.381 20 30 DEEDMM C=C[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001588527522 1076451470 /nfs/dbraw/zinc/45/14/70/1076451470.db2.gz MYZCXMFHLLNLBG-MRVPVSSYSA-N -1 1 306.351 2.381 20 30 DEEDMM C=C[C@H](CC)CC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001588521761 1076451822 /nfs/dbraw/zinc/45/18/22/1076451822.db2.gz SPYWGCOHYDUUHH-LLVKDONJSA-N -1 1 312.377 2.143 20 30 DEEDMM C=C[C@H](CC)CC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001588521761 1076451824 /nfs/dbraw/zinc/45/18/24/1076451824.db2.gz SPYWGCOHYDUUHH-LLVKDONJSA-N -1 1 312.377 2.143 20 30 DEEDMM C=CCCCNc1cc(Br)cnc1-c1nnn[n-]1 ZINC001588600582 1076456852 /nfs/dbraw/zinc/45/68/52/1076456852.db2.gz HQCMLNVQISUZRW-UHFFFAOYSA-N -1 1 309.171 2.402 20 30 DEEDMM C=CCCCNc1cc(Br)cnc1-c1nn[n-]n1 ZINC001588600582 1076456856 /nfs/dbraw/zinc/45/68/56/1076456856.db2.gz HQCMLNVQISUZRW-UHFFFAOYSA-N -1 1 309.171 2.402 20 30 DEEDMM C=CCSCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588695280 1076461695 /nfs/dbraw/zinc/46/16/95/1076461695.db2.gz SOXSVFKKLQHGRG-UHFFFAOYSA-N -1 1 302.816 2.308 20 30 DEEDMM C=CCSCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588695280 1076461696 /nfs/dbraw/zinc/46/16/96/1076461696.db2.gz SOXSVFKKLQHGRG-UHFFFAOYSA-N -1 1 302.816 2.308 20 30 DEEDMM CC(C)[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001589507679 1076494602 /nfs/dbraw/zinc/49/46/02/1076494602.db2.gz OPDNXIVSNUBFND-WDEREUQCSA-N -1 1 312.381 2.155 20 30 DEEDMM CC(C)[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001589507679 1076494606 /nfs/dbraw/zinc/49/46/06/1076494606.db2.gz OPDNXIVSNUBFND-WDEREUQCSA-N -1 1 312.381 2.155 20 30 DEEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001589773414 1076511620 /nfs/dbraw/zinc/51/16/20/1076511620.db2.gz BGLBVLXASSREMA-DTORHVGOSA-N -1 1 319.369 2.333 20 30 DEEDMM CC[C@H](C)CCCCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001590407246 1076622344 /nfs/dbraw/zinc/62/23/44/1076622344.db2.gz MCLIPOOWSSQUGI-VIFPVBQESA-N -1 1 316.369 2.006 20 30 DEEDMM CCCN(C(=O)CCCC#N)c1snc(C)c1-c1nnn[n-]1 ZINC001590618676 1076661301 /nfs/dbraw/zinc/66/13/01/1076661301.db2.gz BBZXVOSCWFGLRI-UHFFFAOYSA-N -1 1 319.394 2.069 20 30 DEEDMM CCCN(C(=O)CCCC#N)c1snc(C)c1-c1nn[n-]n1 ZINC001590618676 1076661304 /nfs/dbraw/zinc/66/13/04/1076661304.db2.gz BBZXVOSCWFGLRI-UHFFFAOYSA-N -1 1 319.394 2.069 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(N=NCCc2cc(C)cc(C)c2)o1 ZINC001591952358 1076815612 /nfs/dbraw/zinc/81/56/12/1076815612.db2.gz DJTRPLNADCBYFF-UHFFFAOYSA-N -1 1 311.349 2.420 20 30 DEEDMM Cc1nc(Nc2ccc(CCC#N)cc2)cc(-c2nnn[n-]2)n1 ZINC001592397730 1076909973 /nfs/dbraw/zinc/90/99/73/1076909973.db2.gz BRQBDXKTLQJRPM-UHFFFAOYSA-N -1 1 306.333 2.165 20 30 DEEDMM Cc1nc(Nc2ccc(CCC#N)cc2)cc(-c2nn[n-]n2)n1 ZINC001592397730 1076909976 /nfs/dbraw/zinc/90/99/76/1076909976.db2.gz BRQBDXKTLQJRPM-UHFFFAOYSA-N -1 1 306.333 2.165 20 30 DEEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001592499397 1076920808 /nfs/dbraw/zinc/92/08/08/1076920808.db2.gz MALOKECPCSDPMR-VIFPVBQESA-N -1 1 322.328 2.131 20 30 DEEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001592499397 1076920814 /nfs/dbraw/zinc/92/08/14/1076920814.db2.gz MALOKECPCSDPMR-VIFPVBQESA-N -1 1 322.328 2.131 20 30 DEEDMM N#Cc1cccc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001592702483 1076955980 /nfs/dbraw/zinc/95/59/80/1076955980.db2.gz XQHZCKWETRYDCS-UHFFFAOYSA-N -1 1 318.344 2.018 20 30 DEEDMM N#Cc1cccc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001592702483 1076955984 /nfs/dbraw/zinc/95/59/84/1076955984.db2.gz XQHZCKWETRYDCS-UHFFFAOYSA-N -1 1 318.344 2.018 20 30 DEEDMM N#Cc1nc(N[C@H]2CCCc3sccc32)cnc1-c1nnn[n-]1 ZINC001592707821 1076956326 /nfs/dbraw/zinc/95/63/26/1076956326.db2.gz DSGADTPFUKXSRW-VIFPVBQESA-N -1 1 324.373 2.079 20 30 DEEDMM N#Cc1nc(N[C@H]2CCCc3sccc32)cnc1-c1nn[n-]n1 ZINC001592707821 1076956328 /nfs/dbraw/zinc/95/63/28/1076956328.db2.gz DSGADTPFUKXSRW-VIFPVBQESA-N -1 1 324.373 2.079 20 30 DEEDMM O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1cccc(F)c1 ZINC001592803127 1076961405 /nfs/dbraw/zinc/96/14/05/1076961405.db2.gz 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Cc1ccc([C@H](C)N(C)c2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001581178432 1076048334 /nfs/dbraw/zinc/04/83/34/1076048334.db2.gz XCYUXQDPHDTEFO-NSHDSACASA-N -1 1 320.360 2.034 20 30 DEEDMM Cc1nsc(NC(=O)CC#Cc2ccccc2)c1-c1nnn[n-]1 ZINC001581683683 1076089233 /nfs/dbraw/zinc/08/92/33/1076089233.db2.gz IQXBGVIXZOBGCW-UHFFFAOYSA-N -1 1 324.369 2.012 20 30 DEEDMM Cc1nsc(NC(=O)CC#Cc2ccccc2)c1-c1nn[n-]n1 ZINC001581683683 1076089241 /nfs/dbraw/zinc/08/92/41/1076089241.db2.gz IQXBGVIXZOBGCW-UHFFFAOYSA-N -1 1 324.369 2.012 20 30 DEEDMM N#Cc1nc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cnc1-c1nnn[n-]1 ZINC001581880724 1076108705 /nfs/dbraw/zinc/10/87/05/1076108705.db2.gz TUPRKPUGCHLOCT-QJPTWQEYSA-N -1 1 324.392 2.299 20 30 DEEDMM N#Cc1nc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cnc1-c1nn[n-]n1 ZINC001581880724 1076108708 /nfs/dbraw/zinc/10/87/08/1076108708.db2.gz TUPRKPUGCHLOCT-QJPTWQEYSA-N -1 1 324.392 2.299 20 30 DEEDMM COc1cc(C(=O)NOc2cccc(C#N)c2)cc(OC)c1[O-] ZINC001587208541 1076414021 /nfs/dbraw/zinc/41/40/21/1076414021.db2.gz CZWNIFDQNBBFCV-UHFFFAOYSA-N -1 1 314.297 2.005 20 30 DEEDMM C=C(C)CCNc1cc(Br)cnc1-c1nnn[n-]1 ZINC001588424118 1076447407 /nfs/dbraw/zinc/44/74/07/1076447407.db2.gz GDXVGJYCOAAKFB-UHFFFAOYSA-N -1 1 309.171 2.402 20 30 DEEDMM C=C(C)CCNc1cc(Br)cnc1-c1nn[n-]n1 ZINC001588424118 1076447410 /nfs/dbraw/zinc/44/74/10/1076447410.db2.gz GDXVGJYCOAAKFB-UHFFFAOYSA-N -1 1 309.171 2.402 20 30 DEEDMM C=C(C)C[C@@H](C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001588404852 1076446645 /nfs/dbraw/zinc/44/66/45/1076446645.db2.gz KZEOMLFYAPKPHJ-SNVBAGLBSA-N -1 1 317.397 2.359 20 30 DEEDMM C=C(C)C[C@@H](C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001588404852 1076446647 /nfs/dbraw/zinc/44/66/47/1076446647.db2.gz KZEOMLFYAPKPHJ-SNVBAGLBSA-N -1 1 317.397 2.359 20 30 DEEDMM C=C1CCC(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CC1 ZINC001588462424 1076449550 /nfs/dbraw/zinc/44/95/50/1076449550.db2.gz NJFIRYZNZDLOHD-UHFFFAOYSA-N -1 1 313.365 2.152 20 30 DEEDMM 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/nfs/dbraw/zinc/10/12/89/802101289.db2.gz AGBPLYTXFPGUIM-UHFFFAOYSA-N -1 1 324.384 2.328 20 30 DEEDMM COC(=O)c1nc(C(C)C)[n-]c(=O)c1O[C@@H]1CC[C@H](C#N)C1 ZINC001234555813 802414591 /nfs/dbraw/zinc/41/45/91/802414591.db2.gz XWXBNXKACIQYFY-VHSXEESVSA-N -1 1 305.334 2.163 20 30 DEEDMM CC(C)c1nc(C(N)=O)c(O[C@H](C)CC(C)(C)S)c(=O)[n-]1 ZINC001234565891 802417439 /nfs/dbraw/zinc/41/74/39/802417439.db2.gz QZJPDSNGGLQTSS-MRVPVSSYSA-N -1 1 313.423 2.270 20 30 DEEDMM C=C[C@@H](C#CC(C)(C)C)Oc1cc(=O)[n-]c(N2CCOCC2)n1 ZINC001226727501 803149752 /nfs/dbraw/zinc/14/97/52/803149752.db2.gz GFDDRHVOBRKGNM-ZDUSSCGKSA-N -1 1 317.389 2.002 20 30 DEEDMM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nc3c([n-]2)[nH]c(=O)[nH]c3=O)C1 ZINC001227436718 803242020 /nfs/dbraw/zinc/24/20/20/803242020.db2.gz ZJSWPQFEOOPARK-ZJUUUORDSA-N -1 1 302.334 2.444 20 30 DEEDMM CCOC(=O)C(F)(F)[C@H](CC)Oc1ccc([O-])c(C#N)c1C#N ZINC001227618400 803261741 /nfs/dbraw/zinc/26/17/41/803261741.db2.gz KOWSMZLIUSCUDL-ZDUSSCGKSA-N -1 1 324.283 2.491 20 30 DEEDMM COc1c(NC(=O)c2ccc(C#N)c(O)c2)cccc1C(=O)[O-] ZINC001571112667 961356899 /nfs/dbraw/zinc/35/68/99/961356899.db2.gz PTIUEXUOWMCDPK-UHFFFAOYSA-N -1 1 312.281 2.223 20 30 DEEDMM CC[C@H](CC#N)N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595030062 979163817 /nfs/dbraw/zinc/16/38/17/979163817.db2.gz KTTMZOLMGCCJPP-DGCLKSJQSA-N -1 1 303.362 2.384 20 30 DEEDMM C=C[C@H](C(=O)[O-])N1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC001588669710 983814178 /nfs/dbraw/zinc/81/41/78/983814178.db2.gz NVPSUUUETJAOOE-CQSZACIVSA-N -1 1 324.808 2.105 20 30 DEEDMM C[C@H](C#N)OCCN1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001589332016 986195817 /nfs/dbraw/zinc/19/58/17/986195817.db2.gz VVYWUYYZNQDSAY-OCCSQVGLSA-N -1 1 305.378 2.179 20 30 DEEDMM CCn1ccnc1C(C#N)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001597914327 989819920 /nfs/dbraw/zinc/81/99/20/989819920.db2.gz JIAUFCSNZGMMBY-HBUWYVDXSA-N -1 1 323.352 2.338 20 30 DEEDMM CC(C)(C)n1nnc(CN=Nc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001590609222 990274857 /nfs/dbraw/zinc/27/48/57/990274857.db2.gz CLKYRQMZVMYVJB-UHFFFAOYSA-N -1 1 322.756 2.226 20 30 DEEDMM COc1cccc(C[C@@H](NCC#Cc2ccccc2)C(=O)[O-])c1 ZINC001599669274 994782390 /nfs/dbraw/zinc/78/23/90/994782390.db2.gz CXKNDWPDTGJGOE-GOSISDBHSA-N -1 1 309.365 2.332 20 30 DEEDMM C#CC[C@@H](NCc1ncc(Br)cc1Cl)C(=O)[O-] ZINC001602694205 1069727564 /nfs/dbraw/zinc/72/75/64/1069727564.db2.gz JQFUPDDOICMXDL-SECBINFHSA-N -1 1 317.570 2.064 20 30 DEEDMM C#C[C@@H]1CCCC[C@H]1OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001602690350 1069724320 /nfs/dbraw/zinc/72/43/20/1069724320.db2.gz CEJRQMLTMMZVQV-MWLCHTKSSA-N -1 1 302.359 2.277 20 30 DEEDMM C#C[C@@H]1CCCC[C@H]1OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001602690350 1069724328 /nfs/dbraw/zinc/72/43/28/1069724328.db2.gz CEJRQMLTMMZVQV-MWLCHTKSSA-N -1 1 302.359 2.277 20 30 DEEDMM C#CC[C@@H]1CCCN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001602701500 1069733101 /nfs/dbraw/zinc/73/31/01/1069733101.db2.gz LTQLDTRPIOAUCI-CQSZACIVSA-N -1 1 314.385 2.367 20 30 DEEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001602772919 1069751333 /nfs/dbraw/zinc/75/13/33/1069751333.db2.gz FWZQNNKKVAYLFR-PHIMTYICSA-N -1 1 313.336 2.329 20 30 DEEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001602772919 1069751343 /nfs/dbraw/zinc/75/13/43/1069751343.db2.gz FWZQNNKKVAYLFR-PHIMTYICSA-N -1 1 313.336 2.329 20 30 DEEDMM COCc1nocc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC001523914385 1069763954 /nfs/dbraw/zinc/76/39/54/1069763954.db2.gz ZJNNGXAMOWDTRM-SNVBAGLBSA-N -1 1 310.313 2.496 20 30 DEEDMM C=CCC[C@H]1CCCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001602833495 1069769041 /nfs/dbraw/zinc/76/90/41/1069769041.db2.gz NTFUJGXRSSKVLX-LBPRGKRZSA-N -1 1 311.393 2.469 20 30 DEEDMM C=CCC[C@H]1CCCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001602833495 1069769047 /nfs/dbraw/zinc/76/90/47/1069769047.db2.gz NTFUJGXRSSKVLX-LBPRGKRZSA-N -1 1 311.393 2.469 20 30 DEEDMM C=CCn1c(C)nnc1SCc1ccc(-c2nn[n-]n2)s1 ZINC001602880211 1069785254 /nfs/dbraw/zinc/78/52/54/1069785254.db2.gz SDWAYIALWOKROF-UHFFFAOYSA-N -1 1 319.419 2.306 20 30 DEEDMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1Cc1ccccc1C#N ZINC001604711430 1070474641 /nfs/dbraw/zinc/47/46/41/1070474641.db2.gz DDMSIIMIUFEKIC-FWYOQMDTSA-N -1 1 300.358 2.153 20 30 DEEDMM Cc1cc(NCCCCC#N)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605730389 1070877856 /nfs/dbraw/zinc/87/78/56/1070877856.db2.gz OIVHRLQHTMKYRH-UHFFFAOYSA-N -1 1 301.310 2.189 20 30 DEEDMM Cc1cc(NCCCCC#N)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605730389 1070877879 /nfs/dbraw/zinc/87/78/79/1070877879.db2.gz OIVHRLQHTMKYRH-UHFFFAOYSA-N -1 1 301.310 2.189 20 30 DEEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1CCCC[C@H]1C#N ZINC001606170693 1071062455 /nfs/dbraw/zinc/06/24/55/1071062455.db2.gz NJVMXVSRIUSGFR-GXSJLCMTSA-N -1 1 301.306 2.007 20 30 DEEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1CCCC[C@H]1C#N ZINC001606170693 1071062467 /nfs/dbraw/zinc/06/24/67/1071062467.db2.gz NJVMXVSRIUSGFR-GXSJLCMTSA-N -1 1 301.306 2.007 20 30 DEEDMM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC001606377829 1071134867 /nfs/dbraw/zinc/13/48/67/1071134867.db2.gz RJTJRNJCJJUILI-UHFFFAOYSA-N -1 1 314.305 2.191 20 30 DEEDMM N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC001606377829 1071134876 /nfs/dbraw/zinc/13/48/76/1071134876.db2.gz RJTJRNJCJJUILI-UHFFFAOYSA-N -1 1 314.305 2.191 20 30 DEEDMM N#Cc1ccc(Oc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC001606379283 1071137896 /nfs/dbraw/zinc/13/78/96/1071137896.db2.gz MTNKBLATXCQLGR-UHFFFAOYSA-N -1 1 308.257 2.439 20 30 DEEDMM N#Cc1ccc(Oc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC001606379283 1071137902 /nfs/dbraw/zinc/13/79/02/1071137902.db2.gz MTNKBLATXCQLGR-UHFFFAOYSA-N -1 1 308.257 2.439 20 30 DEEDMM N#Cc1ncc(Sc2cccc(Cl)c2)nc1-c1nn[n-]n1 ZINC001606398196 1071141241 /nfs/dbraw/zinc/14/12/41/1071141241.db2.gz PZAIGRPSMPCRJD-UHFFFAOYSA-N -1 1 315.749 2.333 20 30 DEEDMM COC(=O)c1cccc(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])c1C#N ZINC001606615892 1071175697 /nfs/dbraw/zinc/17/56/97/1071175697.db2.gz DPRWRJZMRWXRBH-ABAIWWIYSA-N -1 1 316.357 2.030 20 30 DEEDMM C=C(CC)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001463871699 1059037428 /nfs/dbraw/zinc/03/74/28/1059037428.db2.gz ITVXEFGXTIBPFJ-UHFFFAOYSA-N -1 1 302.327 2.287 20 30 DEEDMM C[C@@H](c1ccccc1)[C@H](O)CNC(=O)c1ccc(C#N)c([O-])c1 ZINC001470449900 1060095621 /nfs/dbraw/zinc/09/56/21/1060095621.db2.gz JBFAGYZOOWHUDN-YVEFUNNKSA-N -1 1 310.353 2.158 20 30 DEEDMM C#Cc1ccc(C(=O)NCCc2c(F)cc([O-])cc2F)cn1 ZINC001472041149 1060382294 /nfs/dbraw/zinc/38/22/94/1060382294.db2.gz GOFLMXMKHKXYFZ-UHFFFAOYSA-N -1 1 302.280 2.019 20 30 DEEDMM C#C[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001622092578 1078184289 /nfs/dbraw/zinc/18/42/89/1078184289.db2.gz JPCYFNODWKYNQV-LURJTMIESA-N -1 1 324.146 2.027 20 30 DEEDMM C#Cc1ccc(NC(=O)NCc2cc(=O)[n-]c(SC)n2)cc1 ZINC001628061480 1078288801 /nfs/dbraw/zinc/28/88/01/1078288801.db2.gz XLSSATFBVZSYAT-UHFFFAOYSA-N -1 1 314.370 2.207 20 30 DEEDMM Cc1cc(C=O)c([O-])c(C(=O)NCCc2ccc(C#N)cc2)c1 ZINC001629242395 1078312629 /nfs/dbraw/zinc/31/26/29/1078312629.db2.gz DDLDRBFJBAUFEU-UHFFFAOYSA-N -1 1 308.337 2.357 20 30 DEEDMM N#Cc1ccc2c(c1)CN(C(=O)c1ccc3n[n-]c(=S)n3c1)C2 ZINC001639105894 1078594490 /nfs/dbraw/zinc/59/44/90/1078594490.db2.gz UNPFXDNOCFIBJG-UHFFFAOYSA-N -1 1 321.365 2.046 20 30 DEEDMM O=C(C#Cc1ccc2c(c1)OCO2)Nc1cc([O-])c(F)cc1F ZINC001642154741 1078743387 /nfs/dbraw/zinc/74/33/87/1078743387.db2.gz PFHRSYGSGPJJDU-UHFFFAOYSA-N -1 1 317.247 2.389 20 30 DEEDMM N#Cc1cncc(CN2CCC(CC(F)F)(C(=O)[O-])CC2)c1 ZINC001574249264 1069188685 /nfs/dbraw/zinc/18/86/85/1069188685.db2.gz UKQXEIVNGSCNEC-UHFFFAOYSA-N -1 1 309.316 2.275 20 30 DEEDMM CCn1ccnc1C(C#N)=C([O-])c1cnn(C)c1C(F)(F)F ZINC001646898879 1074679962 /nfs/dbraw/zinc/67/99/62/1074679962.db2.gz SNKOCLKUBZWGEK-QMMMGPOBSA-N -1 1 311.267 2.145 20 30 DEEDMM CC1(C)CCCC[C@@H]1C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001647167237 1074824325 /nfs/dbraw/zinc/82/43/25/1074824325.db2.gz HLGISXJDHQCBNY-GFCCVEGCSA-N -1 1 320.414 2.468 20 30 DEEDMM C#CCSCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001558969163 1075110048 /nfs/dbraw/zinc/11/00/48/1075110048.db2.gz UIASNKCSZNRPKG-UHFFFAOYSA-N -1 1 322.777 2.136 20 30 DEEDMM C#CCSCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001558969163 1075110049 /nfs/dbraw/zinc/11/00/49/1075110049.db2.gz UIASNKCSZNRPKG-UHFFFAOYSA-N -1 1 322.777 2.136 20 30 DEEDMM N#CCc1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001581859745 1076105140 /nfs/dbraw/zinc/10/51/40/1076105140.db2.gz SRLCSQRSQWPRQM-UHFFFAOYSA-N -1 1 310.342 2.247 20 30 DEEDMM N#CCc1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001581859745 1076105145 /nfs/dbraw/zinc/10/51/45/1076105145.db2.gz SRLCSQRSQWPRQM-UHFFFAOYSA-N -1 1 310.342 2.247 20 30 DEEDMM C#C[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001588365233 1076443221 /nfs/dbraw/zinc/44/32/21/1076443221.db2.gz QGTMBCFMLSHQLK-XYPYZODXSA-N -1 1 312.333 2.379 20 30 DEEDMM C#CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001588352316 1076443540 /nfs/dbraw/zinc/44/35/40/1076443540.db2.gz YMXCMQBRPAGOAI-UHFFFAOYSA-N -1 1 323.381 2.204 20 30 DEEDMM C#CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001588352316 1076443543 /nfs/dbraw/zinc/44/35/43/1076443543.db2.gz YMXCMQBRPAGOAI-UHFFFAOYSA-N -1 1 323.381 2.204 20 30 DEEDMM C#CCN(C(=O)c1cc(-c2nnn[n-]2)oc1C)C1CCCCC1 ZINC001588348810 1076443731 /nfs/dbraw/zinc/44/37/31/1076443731.db2.gz OJJIRJCYBQKLNH-UHFFFAOYSA-N -1 1 313.361 2.176 20 30 DEEDMM C#CCN(C(=O)c1cc(-c2nn[n-]n2)oc1C)C1CCCCC1 ZINC001588348810 1076443733 /nfs/dbraw/zinc/44/37/33/1076443733.db2.gz OJJIRJCYBQKLNH-UHFFFAOYSA-N -1 1 313.361 2.176 20 30 DEEDMM C=C(C)C[C@H](CO)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001588403993 1076446202 /nfs/dbraw/zinc/44/62/02/1076446202.db2.gz BGJAYXMMXGLKFR-LLVKDONJSA-N -1 1 310.361 2.154 20 30 DEEDMM C=C(C)C[C@H](CO)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001588403993 1076446206 /nfs/dbraw/zinc/44/62/06/1076446206.db2.gz BGJAYXMMXGLKFR-LLVKDONJSA-N -1 1 310.361 2.154 20 30 DEEDMM C=C(C)CN(CC)c1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588426542 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Cc1ccc([C@@H](C)N(C)c2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001581177198 1076048024 /nfs/dbraw/zinc/04/80/24/1076048024.db2.gz KZFNYVXKCKPRLX-LLVKDONJSA-N -1 1 320.360 2.034 20 30 DEEDMM Cc1ccc([C@@H](C)N(C)c2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001581177198 1076048030 /nfs/dbraw/zinc/04/80/30/1076048030.db2.gz KZFNYVXKCKPRLX-LLVKDONJSA-N -1 1 320.360 2.034 20 30 DEEDMM N#Cc1ccc2c(c1)CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC001581874455 1076107010 /nfs/dbraw/zinc/10/70/10/1076107010.db2.gz SJENBQUWXPRATK-UHFFFAOYSA-N -1 1 323.747 2.307 20 30 DEEDMM N#Cc1ccc2c(c1)CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC001581874455 1076107011 /nfs/dbraw/zinc/10/70/11/1076107011.db2.gz SJENBQUWXPRATK-UHFFFAOYSA-N -1 1 323.747 2.307 20 30 DEEDMM C=C[C@H](CC)CC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001586308494 1076395805 /nfs/dbraw/zinc/39/58/05/1076395805.db2.gz AFPOHUFWCVELCV-LLVKDONJSA-N -1 1 301.350 2.320 20 30 DEEDMM C=C1CCN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CC1 ZINC001588462720 1076449295 /nfs/dbraw/zinc/44/92/95/1076449295.db2.gz OZTCJDKGKFYQNY-UHFFFAOYSA-N -1 1 308.345 2.140 20 30 DEEDMM C=CCC[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001588576186 1076454909 /nfs/dbraw/zinc/45/49/09/1076454909.db2.gz IEXNZCDBBISBQB-GFCCVEGCSA-N -1 1 323.360 2.278 20 30 DEEDMM C=CCC[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001588576186 1076454910 /nfs/dbraw/zinc/45/49/10/1076454910.db2.gz IEXNZCDBBISBQB-GFCCVEGCSA-N -1 1 323.360 2.278 20 30 DEEDMM C=CC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001588560478 1076455344 /nfs/dbraw/zinc/45/53/44/1076455344.db2.gz RMGCCRTURNFTGY-LLVKDONJSA-N -1 1 311.393 2.327 20 30 DEEDMM C=CC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001588560478 1076455346 /nfs/dbraw/zinc/45/53/46/1076455346.db2.gz RMGCCRTURNFTGY-LLVKDONJSA-N -1 1 311.393 2.327 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)C2CCSCC2)o1 ZINC001588781124 1076464905 /nfs/dbraw/zinc/46/49/05/1076464905.db2.gz GASRYUBLEKQAKS-UHFFFAOYSA-N -1 1 307.383 2.094 20 30 DEEDMM CC[C@](C)(CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)OC ZINC001590379866 1076617723 /nfs/dbraw/zinc/61/77/23/1076617723.db2.gz GENATYKUHXPYSK-CQSZACIVSA-N -1 1 321.385 2.365 20 30 DEEDMM CCC(CC)CN(CCC#N)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001590433824 1076627059 /nfs/dbraw/zinc/62/70/59/1076627059.db2.gz NPXISNGJTIPCCT-UHFFFAOYSA-N -1 1 314.397 2.121 20 30 DEEDMM CCC(CC)CN(CCC#N)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001590433824 1076627060 /nfs/dbraw/zinc/62/70/60/1076627060.db2.gz NPXISNGJTIPCCT-UHFFFAOYSA-N -1 1 314.397 2.121 20 30 DEEDMM COc1ccc(C#N)cc1CSc1cccnc1-c1nnn[n-]1 ZINC001591570223 1076759359 /nfs/dbraw/zinc/75/93/59/1076759359.db2.gz BOJCIGHRMJMYNE-UHFFFAOYSA-N -1 1 324.369 2.434 20 30 DEEDMM COc1ccc(C#N)cc1CSc1cccnc1-c1nn[n-]n1 ZINC001591570223 1076759363 /nfs/dbraw/zinc/75/93/63/1076759363.db2.gz BOJCIGHRMJMYNE-UHFFFAOYSA-N -1 1 324.369 2.434 20 30 DEEDMM COc1ccc(C(=O)C=Cc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001591571784 1076760157 /nfs/dbraw/zinc/76/01/57/1076760157.db2.gz YGGODJMWHSAJIG-SREVYHEPSA-N -1 1 313.342 2.228 20 30 DEEDMM COc1ccc(C(=O)C=Cc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001591571784 1076760161 /nfs/dbraw/zinc/76/01/61/1076760161.db2.gz YGGODJMWHSAJIG-SREVYHEPSA-N -1 1 313.342 2.228 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(N=NCCc2cccc(Cl)c2)o1 ZINC001592338489 1076898787 /nfs/dbraw/zinc/89/87/87/1076898787.db2.gz DAYBJFHCNOXRRZ-UHFFFAOYSA-N -1 1 317.740 2.457 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CCCc1cccc(F)c1 ZINC001592335019 1076899052 /nfs/dbraw/zinc/89/90/52/1076899052.db2.gz JULXAZAUIQSPJR-UHFFFAOYSA-N -1 1 311.324 2.015 20 30 DEEDMM Cc1nsc(N[C@H]2Cc3ccc(C#N)cc3C2)c1-c1nn[n-]n1 ZINC001592486495 1076918785 /nfs/dbraw/zinc/91/87/85/1076918785.db2.gz NYLMNLBPZAFLET-LBPRGKRZSA-N -1 1 323.385 2.083 20 30 DEEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001592501299 1076922067 /nfs/dbraw/zinc/92/20/67/1076922067.db2.gz INGQYZAYJLOSPL-NXEZZACHSA-N -1 1 301.306 2.007 20 30 DEEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001592501299 1076922068 /nfs/dbraw/zinc/92/20/68/1076922068.db2.gz INGQYZAYJLOSPL-NXEZZACHSA-N -1 1 301.306 2.007 20 30 DEEDMM N#Cc1ccccc1CN1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC001601125411 1077344807 /nfs/dbraw/zinc/34/48/07/1077344807.db2.gz GFMQZGOCKUAGMA-RRQGHBQHSA-N -1 1 314.385 2.402 20 30 DEEDMM O=C([O-])[C@H](C[C@@H]1CCCO1)NCC#Cc1ccc(Cl)cc1 ZINC001601645269 1077424477 /nfs/dbraw/zinc/42/44/77/1077424477.db2.gz FHXPEFGFRIGLPZ-GJZGRUSLSA-N -1 1 307.777 2.303 20 30 DEEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(C(=O)[O-])n3C)[nH]c21 ZINC001607864050 1077547552 /nfs/dbraw/zinc/54/75/52/1077547552.db2.gz JIYIJLSWGBAMAL-SNVBAGLBSA-N -1 1 322.324 2.398 20 30 DEEDMM Cn1c(NN=Cc2ccc(C(=O)[O-])o2)nnc1-c1ccccc1 ZINC001608091637 1077592156 /nfs/dbraw/zinc/59/21/56/1077592156.db2.gz PRJPCNNBAJKTFG-UHFFFAOYSA-N -1 1 311.301 2.219 20 30 DEEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCc3cc(O)ccc3C2)c1 ZINC001608215172 1077611469 /nfs/dbraw/zinc/61/14/69/1077611469.db2.gz HXLAISHDDDDJSS-KRWDZBQOSA-N -1 1 308.337 2.448 20 30 DEEDMM CN(CC(C)(C)C#N)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001609271637 1077821676 /nfs/dbraw/zinc/82/16/76/1077821676.db2.gz JPUPBYOJOIRHPY-UHFFFAOYSA-N -1 1 307.361 2.401 20 30 DEEDMM CN(CC(C)(C)C#N)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001609271637 1077821682 /nfs/dbraw/zinc/82/16/82/1077821682.db2.gz JPUPBYOJOIRHPY-UHFFFAOYSA-N -1 1 307.361 2.401 20 30 DEEDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2sccc2C#N)s1 ZINC001412542382 1091499352 /nfs/dbraw/zinc/49/93/52/1091499352.db2.gz XBIMOEDDYNHWHC-UHFFFAOYSA-N -1 1 312.397 2.337 20 30 DEEDMM C#CCN1CC[C@]2(CCCN2Cc2ccc(Cl)c([O-])c2)C1=O ZINC001274182359 1093838428 /nfs/dbraw/zinc/83/84/28/1093838428.db2.gz RPXQOHYWIVEGOG-QGZVFWFLSA-N -1 1 318.804 2.246 20 30 DEEDMM COC(=O)c1cc(-c2ccc([O-])c(C#N)c2)cc2c1OCC(=O)N2 ZINC001242564605 1140000769 /nfs/dbraw/zinc/00/07/69/1140000769.db2.gz IXGIPNCFZDATIQ-UHFFFAOYSA-N -1 1 324.292 2.048 20 30 DEEDMM Cc1cc(-c2ccc([O-])c(C#N)c2)cnc1C(=O)N1CCOCC1 ZINC001242566163 1140000850 /nfs/dbraw/zinc/00/08/50/1140000850.db2.gz 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N#Cc1cccc(O[N-]C(=O)c2cc(=O)[nH]c3c2CCCC3)c1 ZINC001557922510 1075077883 /nfs/dbraw/zinc/07/78/83/1075077883.db2.gz LXOJAAMODTXIRE-UHFFFAOYSA-N -1 1 309.325 2.261 20 30 DEEDMM Cc1ccc([C@H](C)N(C)c2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001581177199 1076048040 /nfs/dbraw/zinc/04/80/40/1076048040.db2.gz KZFNYVXKCKPRLX-NSHDSACASA-N -1 1 320.360 2.034 20 30 DEEDMM Cc1ccc([C@H](C)N(C)c2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001581177199 1076048044 /nfs/dbraw/zinc/04/80/44/1076048044.db2.gz KZFNYVXKCKPRLX-NSHDSACASA-N -1 1 320.360 2.034 20 30 DEEDMM N#Cc1nc(Oc2cc(F)cc(Cl)c2)cnc1-c1nn[n-]n1 ZINC001581881164 1076108130 /nfs/dbraw/zinc/10/81/30/1076108130.db2.gz NDAMDYYRYKFYNW-UHFFFAOYSA-N -1 1 317.671 2.113 20 30 DEEDMM N#Cc1ncc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001581883310 1076108147 /nfs/dbraw/zinc/10/81/47/1076108147.db2.gz VYFVWMAQDHKTKX-IJLUTSLNSA-N -1 1 324.392 2.299 20 30 DEEDMM Cc1ccc(C#N)cc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001587422070 1076418448 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C=CCCN(OCc1ccccc1)c1cnc(-c2nn[n-]n2)cn1 ZINC001588603658 1076457096 /nfs/dbraw/zinc/45/70/96/1076457096.db2.gz UNUDDVXIPPUVII-UHFFFAOYSA-N -1 1 323.360 2.171 20 30 DEEDMM C=CCN(CCc1ccccc1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001588635760 1076460007 /nfs/dbraw/zinc/46/00/07/1076460007.db2.gz UBBODBSKJRWXSF-UHFFFAOYSA-N -1 1 323.356 2.331 20 30 DEEDMM C=CCN(CCc1ccccc1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001588635760 1076460010 /nfs/dbraw/zinc/46/00/10/1076460010.db2.gz UBBODBSKJRWXSF-UHFFFAOYSA-N -1 1 323.356 2.331 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(F)cc2F)o1 ZINC001588781228 1076464608 /nfs/dbraw/zinc/46/46/08/1076464608.db2.gz NIEAQBZQAXSTBG-UHFFFAOYSA-N -1 1 319.275 2.277 20 30 DEEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccco2)o1 ZINC001588782319 1076465124 /nfs/dbraw/zinc/46/51/24/1076465124.db2.gz SBPWZKMAZTXFTA-UHFFFAOYSA-N -1 1 315.337 2.482 20 30 DEEDMM C[C@H](Sc1cnc(-c2nn[n-]n2)c(C#N)n1)c1cccs1 ZINC001590036633 1076547956 /nfs/dbraw/zinc/54/79/56/1076547956.db2.gz 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ZINC001465312695 1059285163 /nfs/dbraw/zinc/28/51/63/1059285163.db2.gz HZOGEFBKSCZMCG-UHFFFAOYSA-N -1 1 304.737 2.337 20 30 DEEDMM C=C(C)CO[N-]C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001640656491 1078672339 /nfs/dbraw/zinc/67/23/39/1078672339.db2.gz PHAQZRXAMYDGHW-HWWQOWPSSA-N -1 1 310.394 2.304 20 30 DEEDMM C#CCN(CC#C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001544322321 1072527813 /nfs/dbraw/zinc/52/78/13/1072527813.db2.gz ISWZABHSEILMCS-UHFFFAOYSA-N -1 1 307.305 2.173 20 30 DEEDMM Cc1cc(C#N)nc(Sc2cccc(F)c2-c2nnn[n-]2)n1 ZINC001580771863 1075991909 /nfs/dbraw/zinc/99/19/09/1075991909.db2.gz XWMDBDRHKMUPMN-UHFFFAOYSA-N -1 1 313.321 2.127 20 30 DEEDMM Cc1cc(C#N)nc(Sc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001580771863 1075991915 /nfs/dbraw/zinc/99/19/15/1075991915.db2.gz XWMDBDRHKMUPMN-UHFFFAOYSA-N -1 1 313.321 2.127 20 30 DEEDMM N#Cc1nc(N[C@@H](c2ccccc2)C2CC2)cnc1-c1nnn[n-]1 ZINC001581880751 1076107918 /nfs/dbraw/zinc/10/79/18/1076107918.db2.gz UNJOBWWGBWYMRO-AWEZNQCLSA-N -1 1 318.344 2.092 20 30 DEEDMM N#Cc1nc(N[C@@H](c2ccccc2)C2CC2)cnc1-c1nn[n-]n1 ZINC001581880751 1076107924 /nfs/dbraw/zinc/10/79/24/1076107924.db2.gz UNJOBWWGBWYMRO-AWEZNQCLSA-N -1 1 318.344 2.092 20 30 DEEDMM N#Cc1ncc(Oc2ccc(F)c(Cl)c2)nc1-c1nn[n-]n1 ZINC001581885102 1076108193 /nfs/dbraw/zinc/10/81/93/1076108193.db2.gz NNFXFSCLCGSZOW-UHFFFAOYSA-N -1 1 317.671 2.113 20 30 DEEDMM C#C[C@@H]1CCCCN1c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001588331740 1076441008 /nfs/dbraw/zinc/44/10/08/1076441008.db2.gz CROPIBIEIMQWMR-SNVBAGLBSA-N -1 1 322.294 2.273 20 30 DEEDMM C#C[C@@H]1CCCCN1c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001588331740 1076441013 /nfs/dbraw/zinc/44/10/13/1076441013.db2.gz CROPIBIEIMQWMR-SNVBAGLBSA-N -1 1 322.294 2.273 20 30 DEEDMM C#CC[C@H](Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588333918 1076441522 /nfs/dbraw/zinc/44/15/22/1076441522.db2.gz IQSIEHRYUKFTJA-CQSZACIVSA-N -1 1 304.357 2.308 20 30 DEEDMM C#CC[C@H](Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588333918 1076441525 /nfs/dbraw/zinc/44/15/25/1076441525.db2.gz IQSIEHRYUKFTJA-CQSZACIVSA-N -1 1 304.357 2.308 20 30 DEEDMM C#CC[C@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588333925 1076441539 /nfs/dbraw/zinc/44/15/39/1076441539.db2.gz IUQOZECXSHZEDH-HNNXBMFYSA-N -1 1 304.357 2.169 20 30 DEEDMM C#CC[C@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588333925 1076441541 /nfs/dbraw/zinc/44/15/41/1076441541.db2.gz IUQOZECXSHZEDH-HNNXBMFYSA-N -1 1 304.357 2.169 20 30 DEEDMM C#CCCCCCCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001588345644 1076443231 /nfs/dbraw/zinc/44/32/31/1076443231.db2.gz HOEXGAAXBKYIPC-UHFFFAOYSA-N -1 1 311.389 2.101 20 30 DEEDMM C=CCNc1nnc(SCc2ccc(-c3nnn[n-]3)o2)s1 ZINC001588666018 1076461015 /nfs/dbraw/zinc/46/10/15/1076461015.db2.gz WYWDBRNPPKAQPQ-UHFFFAOYSA-N -1 1 321.391 2.201 20 30 DEEDMM C=CCNc1nnc(SCc2ccc(-c3nn[n-]n3)o2)s1 ZINC001588666018 1076461018 /nfs/dbraw/zinc/46/10/18/1076461018.db2.gz WYWDBRNPPKAQPQ-UHFFFAOYSA-N -1 1 321.391 2.201 20 30 DEEDMM CC(C)(C#N)CNc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC001589036206 1076472490 /nfs/dbraw/zinc/47/24/90/1076472490.db2.gz YIBVDRFDNKURBV-UHFFFAOYSA-N -1 1 308.349 2.014 20 30 DEEDMM CC1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H]1C#N ZINC001590097571 1076563008 /nfs/dbraw/zinc/56/30/08/1076563008.db2.gz STNGBPNLORXADS-LLVKDONJSA-N -1 1 316.390 2.083 20 30 DEEDMM CC1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]1C#N ZINC001590097571 1076563013 /nfs/dbraw/zinc/56/30/13/1076563013.db2.gz STNGBPNLORXADS-LLVKDONJSA-N -1 1 316.390 2.083 20 30 DEEDMM COc1ccc(C#N)cc1NCc1csc(-c2nn[n-]n2)c1 ZINC001591570334 1076759513 /nfs/dbraw/zinc/75/95/13/1076759513.db2.gz JIUGSKSNNWKCFO-UHFFFAOYSA-N -1 1 312.358 2.421 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1c(C)cc(C)cc1C ZINC001591948230 1076813898 /nfs/dbraw/zinc/81/38/98/1076813898.db2.gz CAAPILYGGTZWBM-UHFFFAOYSA-N -1 1 307.361 2.217 20 30 DEEDMM Cc1ccc2c(c1)C(=O)C(=Cc1nc(-c3nnn[n-]3)cs1)C2 ZINC001592203703 1076875476 /nfs/dbraw/zinc/87/54/76/1076875476.db2.gz CMSGIDIURRNIPM-POHAHGRESA-N -1 1 309.354 2.454 20 30 DEEDMM Cc1ccc2c(c1)C(=O)C(=Cc1nc(-c3nn[n-]n3)cs1)C2 ZINC001592203703 1076875479 /nfs/dbraw/zinc/87/54/79/1076875479.db2.gz CMSGIDIURRNIPM-POHAHGRESA-N -1 1 309.354 2.454 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc3ccccc3o2)o1 ZINC001592338458 1076898985 /nfs/dbraw/zinc/89/89/85/1076898985.db2.gz CANNDBPAMJHPLR-UHFFFAOYSA-N -1 1 309.289 2.355 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1C[C@@H]1CCc2ccccc2C1 ZINC001592334624 1076899513 /nfs/dbraw/zinc/89/95/13/1076899513.db2.gz BVLQETYMHRTNCF-GFCCVEGCSA-N -1 1 319.372 2.048 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3ccccc23)o1 ZINC001592338541 1076899702 /nfs/dbraw/zinc/89/97/02/1076899702.db2.gz GDKXOESIUPPZNV-UHFFFAOYSA-N -1 1 308.305 2.090 20 30 DEEDMM N#C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC001592672468 1076950884 /nfs/dbraw/zinc/95/08/84/1076950884.db2.gz JHIWSJKTADINKH-NSHDSACASA-N -1 1 305.345 2.155 20 30 DEEDMM N#C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC001592672468 1076950886 /nfs/dbraw/zinc/95/08/86/1076950886.db2.gz JHIWSJKTADINKH-NSHDSACASA-N -1 1 305.345 2.155 20 30 DEEDMM N#Cc1nc(Oc2ccc(F)nc2-c2nn[n-]n2)sc1Cl ZINC001592707715 1076957247 /nfs/dbraw/zinc/95/72/47/1076957247.db2.gz XFFMMZJAZNMVAZ-UHFFFAOYSA-N -1 1 323.700 2.175 20 30 DEEDMM O=C1c2ccc([O-])cc2OC1=Cc1cccc(F)c1-c1nn[nH]n1 ZINC001593379754 1077002889 /nfs/dbraw/zinc/00/28/89/1077002889.db2.gz IWNTXQXTBIKLER-AWNIVKPZSA-N -1 1 324.271 2.328 20 30 DEEDMM N#CC(C(=O)c1cncc(C(=O)[O-])c1)c1cnc2ccccc2n1 ZINC001601047274 1077325628 /nfs/dbraw/zinc/32/56/28/1077325628.db2.gz LOYYQZOAKUGNTN-LBPRGKRZSA-N -1 1 318.292 2.213 20 30 DEEDMM N#Cc1ccc(O)c(NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001601108951 1077340851 /nfs/dbraw/zinc/34/08/51/1077340851.db2.gz XEVLUDBCODSFRP-UHFFFAOYSA-N -1 1 300.245 2.353 20 30 DEEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCc3ccc(O)cc3C2)c1 ZINC001601117902 1077341917 /nfs/dbraw/zinc/34/19/17/1077341917.db2.gz GGOGBLYGDYWVOX-QGZVFWFLSA-N -1 1 308.337 2.448 20 30 DEEDMM N#C[C@H]1CC[C@H](N2CCN(c3ccc(C(=O)[O-])s3)CC2)C1 ZINC001608179538 1077603749 /nfs/dbraw/zinc/60/37/49/1077603749.db2.gz WFKNVOKPMIXQOS-RYUDHWBXSA-N -1 1 305.403 2.261 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(N=NCCCc2ccc(C#N)cc2)o1 ZINC001609446168 1077862059 /nfs/dbraw/zinc/86/20/59/1077862059.db2.gz OYEVWDASVOSFIP-UHFFFAOYSA-N -1 1 322.332 2.065 20 30 DEEDMM C[C@H](CN(C)Cc1ccc(C#N)cc1Br)C(=O)[O-] ZINC001609741556 1077915107 /nfs/dbraw/zinc/91/51/07/1077915107.db2.gz QFPUXWVBTHDHSP-SECBINFHSA-N -1 1 311.179 2.473 20 30 DEEDMM C=CCC1([N-]S(=O)(=O)c2csnc2OC)CCCC1 ZINC001664482793 1080914111 /nfs/dbraw/zinc/91/41/11/1080914111.db2.gz NJAVLOLLYHLGFC-UHFFFAOYSA-N -1 1 302.421 2.319 20 30 DEEDMM C=CCOc1ccc(C[N-]S(=O)(=O)c2conc2C)cc1 ZINC001669144218 1081432048 /nfs/dbraw/zinc/43/20/48/1081432048.db2.gz XVVSSQFMBKFUEV-UHFFFAOYSA-N -1 1 308.359 2.026 20 30 DEEDMM C=C[C@H](COC)NC(=O)c1cc(Br)ccc1[O-] ZINC001116650298 1084463603 /nfs/dbraw/zinc/46/36/03/1084463603.db2.gz RDPWMHCOAQAECW-SECBINFHSA-N -1 1 300.152 2.086 20 30 DEEDMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001352093311 1151682086 /nfs/dbraw/zinc/68/20/86/1151682086.db2.gz IYDNGQIDCVXQBU-UWVGGRQHSA-N -1 1 321.816 2.385 20 30 DEEDMM N#Cc1cccnc1-n1cc(NC(=O)c2cccc([O-])c2F)cn1 ZINC001296136504 1139713555 /nfs/dbraw/zinc/71/35/55/1139713555.db2.gz KMFWAVDICFHBFT-UHFFFAOYSA-N -1 1 323.287 2.236 20 30 DEEDMM COC(=O)c1nc(SC)ncc1-c1ccc([O-])c(C#N)c1 ZINC001242564626 1140000268 /nfs/dbraw/zinc/00/02/68/1140000268.db2.gz JXHPFZJLMFSYJG-UHFFFAOYSA-N -1 1 301.327 2.229 20 30 DEEDMM CCOC(=O)c1cn2nc(-c3ccc([O-])c(C#N)c3)ccc2n1 ZINC001242567469 1140002119 /nfs/dbraw/zinc/00/21/19/1140002119.db2.gz WNEZETDLWFRXOI-UHFFFAOYSA-N -1 1 308.297 2.150 20 30 DEEDMM COc1nc(Cl)c(/C=C2/Oc3cc([O-])ccc3C2=O)n1C ZINC001322561248 1141629129 /nfs/dbraw/zinc/62/91/29/1141629129.db2.gz CCHIPSFEUUAWCH-IZZDOVSWSA-N -1 1 306.705 2.404 20 30 DEEDMM N#Cc1ccc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])cc1 ZINC001249713400 1142013490 /nfs/dbraw/zinc/01/34/90/1142013490.db2.gz VPLXDVANQRBCMP-UHFFFAOYSA-N -1 1 317.326 2.274 20 30 DEEDMM N#Cc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(O)c1 ZINC001251335572 1142420232 /nfs/dbraw/zinc/42/02/32/1142420232.db2.gz KAGOSJGOXPVPRF-UHFFFAOYSA-N -1 1 306.281 2.138 20 30 DEEDMM N#Cc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)c([O-])c1 ZINC001251335572 1142420239 /nfs/dbraw/zinc/42/02/39/1142420239.db2.gz KAGOSJGOXPVPRF-UHFFFAOYSA-N -1 1 306.281 2.138 20 30 DEEDMM Cn1c2cc3nc[nH]c(=O)c3cc2nc1-c1ccc(C#N)cc1[O-] ZINC001251335718 1142420399 /nfs/dbraw/zinc/42/03/99/1142420399.db2.gz OADQYQBTHRFYIH-UHFFFAOYSA-N -1 1 317.308 2.466 20 30 DEEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)C[C@@H]1CC1(C)C ZINC001338871413 1142887922 /nfs/dbraw/zinc/88/79/22/1142887922.db2.gz QNCRULMCPKEGOI-JTQLQIEISA-N -1 1 302.382 2.042 20 30 DEEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCOCC1 ZINC001340672114 1143396071 /nfs/dbraw/zinc/39/60/71/1143396071.db2.gz NRPBCIKQPMUSMV-UHFFFAOYSA-N -1 1 320.780 2.327 20 30 DEEDMM N#CC(=C([O-])C=CC1CCOCC1)c1nc(N)c2ccccc2n1 ZINC001342561277 1143824210 /nfs/dbraw/zinc/82/42/10/1143824210.db2.gz RYRXCTRMQIRIAY-GEXIGZQTSA-N -1 1 322.368 2.371 20 30 DEEDMM CCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259044650 1144061542 /nfs/dbraw/zinc/06/15/42/1144061542.db2.gz ULOVJEFARLKFKR-LBPRGKRZSA-N -1 1 306.309 2.465 20 30 DEEDMM N#Cc1csc(C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC001259073420 1144063068 /nfs/dbraw/zinc/06/30/68/1144063068.db2.gz YIAQTAPCOZAGPP-UHFFFAOYSA-N -1 1 314.338 2.376 20 30 DEEDMM N#Cc1cccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001259125581 1144068075 /nfs/dbraw/zinc/06/80/75/1144068075.db2.gz KAZKAXLMNGFINZ-UHFFFAOYSA-N -1 1 310.281 2.343 20 30 DEEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cs1 ZINC001259351151 1144089689 /nfs/dbraw/zinc/08/96/89/1144089689.db2.gz BNGNKIBULWKUDX-UHFFFAOYSA-N -1 1 306.368 2.355 20 30 DEEDMM N#CC1CC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)C1 ZINC001260207997 1144181703 /nfs/dbraw/zinc/18/17/03/1144181703.db2.gz 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1069731692 /nfs/dbraw/zinc/73/16/92/1069731692.db2.gz GXVPHHSVOUGVIR-LBPRGKRZSA-N -1 1 304.357 2.265 20 30 DEEDMM C=C(Br)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001602750005 1069741982 /nfs/dbraw/zinc/74/19/82/1069741982.db2.gz QWRGPWPARYYHKB-UHFFFAOYSA-N -1 1 321.591 2.297 20 30 DEEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C(=O)[O-])C1CC1 ZINC001602894519 1069788995 /nfs/dbraw/zinc/78/89/95/1069788995.db2.gz IGKINBZEJCBNMK-RISCZKNCSA-N -1 1 322.430 2.104 20 30 DEEDMM CC(C)CCN(CCC#N)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603283679 1069931992 /nfs/dbraw/zinc/93/19/92/1069931992.db2.gz RJBKPOISCDRDAE-UHFFFAOYSA-N -1 1 318.406 2.330 20 30 DEEDMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(C#N)cc1 ZINC001603702646 1070053086 /nfs/dbraw/zinc/05/30/86/1070053086.db2.gz FELDDMBUSFYWSF-VIFPVBQESA-N -1 1 309.285 2.249 20 30 DEEDMM Cc1cc(C)n(N=CC=Cc2ccccc2)c(=O)c1-c1nn[n-]n1 ZINC001605649923 1070795592 /nfs/dbraw/zinc/79/55/92/1070795592.db2.gz NYJDEQRXIDJGFL-LLMQNPFWSA-N -1 1 320.356 2.193 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCNc3ccccc32)o1 ZINC001606019353 1071017941 /nfs/dbraw/zinc/01/79/41/1071017941.db2.gz IQUKNGAQVFRDRY-UHFFFAOYSA-N -1 1 324.348 2.185 20 30 DEEDMM N#Cc1ncc(SCCCc2ccccc2)nc1-c1nn[n-]n1 ZINC001606398114 1071141726 /nfs/dbraw/zinc/14/17/26/1071141726.db2.gz MQWFRUQEZPVVPJ-UHFFFAOYSA-N -1 1 323.385 2.253 20 30 DEEDMM C[C@@H]1C[C@H](C(=O)C(C#N)c2nc(C3CC3)cs2)O[C@H]1C(=O)[O-] ZINC001607440530 1071443278 /nfs/dbraw/zinc/44/32/78/1071443278.db2.gz RTCQUNFWVCEDRZ-DKRZYWPISA-N -1 1 320.370 2.075 20 30 DEEDMM Cc1cc(C(=O)[O-])oc1C(=O)C(C#N)c1ncc(Cl)n1C ZINC001607601657 1071489711 /nfs/dbraw/zinc/48/97/11/1071489711.db2.gz HLKQSBFLBQREII-ZETCQYMHSA-N -1 1 307.693 2.163 20 30 DEEDMM Cc1cc(C(=O)[O-])oc1C(=O)[C@H](C#N)c1ncc(Cl)n1C ZINC001607601657 1071489715 /nfs/dbraw/zinc/48/97/15/1071489715.db2.gz HLKQSBFLBQREII-ZETCQYMHSA-N -1 1 307.693 2.163 20 30 DEEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001618172701 1078151759 /nfs/dbraw/zinc/15/17/59/1078151759.db2.gz DCNCAGLVBZWKSN-BLLLJJGKSA-N -1 1 303.358 2.224 20 30 DEEDMM N#CCOc1cc(F)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC001622869627 1078194919 /nfs/dbraw/zinc/19/49/19/1078194919.db2.gz UTYYAYVXMJRXHG-UHFFFAOYSA-N -1 1 314.272 2.255 20 30 DEEDMM C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001575356628 1066274521 /nfs/dbraw/zinc/27/45/21/1066274521.db2.gz QJEXICYOCKUIFE-VIFPVBQESA-N -1 1 324.369 2.291 20 30 DEEDMM C=CCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(CCC)cc2)C1 ZINC001636770397 1078489888 /nfs/dbraw/zinc/48/98/88/1078489888.db2.gz IZYKCBDDGCNYCW-CQSZACIVSA-N -1 1 302.374 2.226 20 30 DEEDMM O=C(C#Cc1ccc2c(c1)OCO2)Nc1cc(F)cc(F)c1[O-] ZINC001638360564 1078560813 /nfs/dbraw/zinc/56/08/13/1078560813.db2.gz BZQNBUSMPOFXPV-UHFFFAOYSA-N -1 1 317.247 2.389 20 30 DEEDMM CC1(C#N)CN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])C1 ZINC001639844632 1078630563 /nfs/dbraw/zinc/63/05/63/1078630563.db2.gz JVALAECXEXLGTN-UHFFFAOYSA-N -1 1 310.309 2.450 20 30 DEEDMM O=C(CCc1nn[n-]n1)Nc1cccc(C#Cc2cccs2)c1 ZINC001540721711 1072425382 /nfs/dbraw/zinc/42/53/82/1072425382.db2.gz OEMKGVWUSPVBPF-UHFFFAOYSA-N -1 1 323.381 2.232 20 30 DEEDMM Cc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1C#N ZINC001559031465 1075110819 /nfs/dbraw/zinc/11/08/19/1075110819.db2.gz HZDVICWQAXASDW-UHFFFAOYSA-N -1 1 300.289 2.347 20 30 DEEDMM N#Cc1ncc(Oc2ccc(Cl)cc2F)nc1-c1nn[n-]n1 ZINC001581885110 1076108499 /nfs/dbraw/zinc/10/84/99/1076108499.db2.gz NWZRSBDCHIPPGT-UHFFFAOYSA-N -1 1 317.671 2.113 20 30 DEEDMM C=C(C)C(C)(C)C(=O)NC[C@H](CC)NC(=O)c1ncccc1[O-] ZINC001582521141 1076158333 /nfs/dbraw/zinc/15/83/33/1076158333.db2.gz ZJKDPXQCAQGOKX-LBPRGKRZSA-N -1 1 319.405 2.014 20 30 DEEDMM C#CCCN(Cc1csc(-c2nn[n-]n2)c1)CC(F)(F)F ZINC001588346399 1076443578 /nfs/dbraw/zinc/44/35/78/1076443578.db2.gz LMJFDTFGVGCMDZ-UHFFFAOYSA-N -1 1 315.324 2.316 20 30 DEEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001588456635 1076449475 /nfs/dbraw/zinc/44/94/75/1076449475.db2.gz RQFWOMNBLGUBKA-AOOOYVTPSA-N -1 1 301.375 2.251 20 30 DEEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001588456635 1076449477 /nfs/dbraw/zinc/44/94/77/1076449477.db2.gz RQFWOMNBLGUBKA-AOOOYVTPSA-N -1 1 301.375 2.251 20 30 DEEDMM C=CC[C@H]1CCN(C(=O)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001588564553 1076455167 /nfs/dbraw/zinc/45/51/67/1076455167.db2.gz OAMUPTPCGWINJN-VIFPVBQESA-N -1 1 319.394 2.062 20 30 DEEDMM C=CC[C@H]1CCN(C(=O)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001588564553 1076455170 /nfs/dbraw/zinc/45/51/70/1076455170.db2.gz OAMUPTPCGWINJN-VIFPVBQESA-N -1 1 319.394 2.062 20 30 DEEDMM C=CC[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588563902 1076455604 /nfs/dbraw/zinc/45/56/04/1076455604.db2.gz DVODFNPZRSQHDG-JTQLQIEISA-N -1 1 318.406 2.036 20 30 DEEDMM C=CCCC[C@@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001588593363 1076456105 /nfs/dbraw/zinc/45/61/05/1076456105.db2.gz AWCHOKKVKJBARE-SNVBAGLBSA-N -1 1 320.422 2.472 20 30 DEEDMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)c(C#N)n1)CC(C)(C)C ZINC001589832240 1076520171 /nfs/dbraw/zinc/52/01/71/1076520171.db2.gz XDCADLGEEGJNAH-JTQLQIEISA-N -1 1 314.397 2.403 20 30 DEEDMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)c(C#N)n1)CC(C)(C)C ZINC001589832240 1076520172 /nfs/dbraw/zinc/52/01/72/1076520172.db2.gz XDCADLGEEGJNAH-JTQLQIEISA-N -1 1 314.397 2.403 20 30 DEEDMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCC[C@@H]1C#N ZINC001591156583 1076714715 /nfs/dbraw/zinc/71/47/15/1076714715.db2.gz DQRBKYFGHZHERN-PSASIEDQSA-N -1 1 303.757 2.044 20 30 DEEDMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCC[C@@H]1C#N ZINC001591156583 1076714719 /nfs/dbraw/zinc/71/47/19/1076714719.db2.gz DQRBKYFGHZHERN-PSASIEDQSA-N -1 1 303.757 2.044 20 30 DEEDMM COc1ccc(NCc2csc(-c3nn[n-]n3)c2)cc1C#N ZINC001591618378 1076766237 /nfs/dbraw/zinc/76/62/37/1076766237.db2.gz RFFDKSBNHSVCJR-UHFFFAOYSA-N -1 1 312.358 2.421 20 30 DEEDMM Cc1c(C#N)cccc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591801680 1076785750 /nfs/dbraw/zinc/78/57/50/1076785750.db2.gz JRBXOAYSLRVKKK-UHFFFAOYSA-N -1 1 310.342 2.361 20 30 DEEDMM Cc1c(C#N)cccc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591801680 1076785753 /nfs/dbraw/zinc/78/57/53/1076785753.db2.gz JRBXOAYSLRVKKK-UHFFFAOYSA-N -1 1 310.342 2.361 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1cccc(F)c1Cl ZINC001592336417 1076899529 /nfs/dbraw/zinc/89/95/29/1076899529.db2.gz ZSIRNPQRQRTLCW-UHFFFAOYSA-N -1 1 317.715 2.084 20 30 DEEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1cc2ccccc2o1 ZINC001592335828 1076900178 /nfs/dbraw/zinc/90/01/78/1076900178.db2.gz JPYBHRRPRKVMFQ-UHFFFAOYSA-N -1 1 305.301 2.038 20 30 DEEDMM Cc1nc(C#N)cc(Sc2cccc(F)c2-c2nnn[n-]2)n1 ZINC001592340631 1076900767 /nfs/dbraw/zinc/90/07/67/1076900767.db2.gz VDLMYNDABGQTGD-UHFFFAOYSA-N -1 1 313.321 2.127 20 30 DEEDMM Cc1nc(C#N)cc(Sc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001592340631 1076900770 /nfs/dbraw/zinc/90/07/70/1076900770.db2.gz VDLMYNDABGQTGD-UHFFFAOYSA-N -1 1 313.321 2.127 20 30 DEEDMM N#CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001592677821 1076952271 /nfs/dbraw/zinc/95/22/71/1076952271.db2.gz UYIXKUWZCVVARN-UHFFFAOYSA-N -1 1 310.342 2.099 20 30 DEEDMM N#CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001592677821 1076952274 /nfs/dbraw/zinc/95/22/74/1076952274.db2.gz UYIXKUWZCVVARN-UHFFFAOYSA-N -1 1 310.342 2.099 20 30 DEEDMM N#Cc1nc(F)ccc1Oc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001592706589 1076957166 /nfs/dbraw/zinc/95/71/66/1076957166.db2.gz ZGCLSCHSERWJKF-UHFFFAOYSA-N -1 1 323.700 2.175 20 30 DEEDMM N#Cc1nc(F)ccc1Oc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592706589 1076957169 /nfs/dbraw/zinc/95/71/69/1076957169.db2.gz ZGCLSCHSERWJKF-UHFFFAOYSA-N -1 1 323.700 2.175 20 30 DEEDMM N#Cc1nc(N2CCC[C@H]2CC2CCCC2)cnc1-c1nnn[n-]1 ZINC001592704828 1076957342 /nfs/dbraw/zinc/95/73/42/1076957342.db2.gz PFICJPFBPALZOK-LBPRGKRZSA-N -1 1 324.392 2.077 20 30 DEEDMM N#Cc1nc(N2CCC[C@H]2CC2CCCC2)cnc1-c1nn[n-]n1 ZINC001592704828 1076957346 /nfs/dbraw/zinc/95/73/46/1076957346.db2.gz PFICJPFBPALZOK-LBPRGKRZSA-N -1 1 324.392 2.077 20 30 DEEDMM Cn1cc(CN2CCC(C#N)(C(=O)[O-])CC2)c(C2CCCC2)n1 ZINC001600952321 1077309328 /nfs/dbraw/zinc/30/93/28/1077309328.db2.gz RAKIFFPKOXMKBA-UHFFFAOYSA-N -1 1 316.405 2.268 20 30 DEEDMM N#Cc1ccc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)cc1O ZINC001601094586 1077336745 /nfs/dbraw/zinc/33/67/45/1077336745.db2.gz OEHLHWHBGBRYQR-UHFFFAOYSA-N -1 1 322.280 2.091 20 30 DEEDMM N#Cc1ccc([C@@H](NCc2cccc3c2OCC3)C(=O)[O-])cc1 ZINC001601096634 1077338255 /nfs/dbraw/zinc/33/82/55/1077338255.db2.gz HOCAGHPDTPVLNS-MRXNPFEDSA-N -1 1 308.337 2.409 20 30 DEEDMM N#Cc1ccc(CNCc2ccc(OCC(=O)[O-])cc2)c(F)c1 ZINC001601101813 1077339807 /nfs/dbraw/zinc/33/98/07/1077339807.db2.gz LDFSVIWGNIZFMP-UHFFFAOYSA-N -1 1 314.316 2.451 20 30 DEEDMM N#Cc1ccc(NC(=O)CN[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001601106941 1077340269 /nfs/dbraw/zinc/34/02/69/1077340269.db2.gz KVZYJFHQOMQXTN-MRXNPFEDSA-N -1 1 315.373 2.120 20 30 DEEDMM N#Cc1ccnc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001601127455 1077345715 /nfs/dbraw/zinc/34/57/15/1077345715.db2.gz MSKZZJGRTQZXMJ-NSHDSACASA-N -1 1 314.370 2.097 20 30 DEEDMM 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CJYDRNJTHIURPT-UHFFFAOYSA-N -1 1 309.329 2.215 20 30 DEEDMM C#CCOc1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000844662348 651152118 /nfs/dbraw/zinc/15/21/18/651152118.db2.gz LLTXOMONNJBAOM-UHFFFAOYSA-N -1 1 306.387 2.380 20 30 DEEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(C#N)CCCC1 ZINC000846344346 651324814 /nfs/dbraw/zinc/32/48/14/651324814.db2.gz RUNYGEOHHXVXTG-UHFFFAOYSA-N -1 1 302.378 2.428 20 30 DEEDMM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1 ZINC000846541962 651337025 /nfs/dbraw/zinc/33/70/25/651337025.db2.gz QPCBKZFJFGGFLS-TZMCWYRMSA-N -1 1 302.374 2.224 20 30 DEEDMM C=C[C@H](C)O[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(F)c(C)c2)C1 ZINC000846551056 651337645 /nfs/dbraw/zinc/33/76/45/651337645.db2.gz WFIJWDYYWAOZES-NWDGAFQWSA-N -1 1 306.337 2.109 20 30 DEEDMM C=C(CC)CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852374832 652393719 /nfs/dbraw/zinc/39/37/19/652393719.db2.gz RMVSKXXWHTVZEE-MNOVXSKESA-N -1 1 321.343 2.051 20 30 DEEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000859424427 685726776 /nfs/dbraw/zinc/72/67/76/685726776.db2.gz RPDQFUKITYEHBK-JTQLQIEISA-N -1 1 319.785 2.186 20 30 DEEDMM C#CC[C@@H](COC)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000863801708 686577956 /nfs/dbraw/zinc/57/79/56/686577956.db2.gz FRDCOHBKXHNQCU-JTQLQIEISA-N -1 1 301.264 2.179 20 30 DEEDMM C=CCOc1cccc([N-]S(=O)(=O)N=[S@@](C)(=O)CC)c1 ZINC000867059888 687700923 /nfs/dbraw/zinc/70/09/23/687700923.db2.gz IHBRWOYLUYLWHI-IBGZPJMESA-N -1 1 318.420 2.026 20 30 DEEDMM N#Cc1ccc(C(=O)NC2(CO)CCCCCCC2)cc1[O-] ZINC000871402311 688786770 /nfs/dbraw/zinc/78/67/70/688786770.db2.gz HSWSHCXXWHFJRQ-UHFFFAOYSA-N -1 1 302.374 2.469 20 30 DEEDMM CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000871476920 688797908 /nfs/dbraw/zinc/79/79/08/688797908.db2.gz DXHRDPPLVGVTKG-HNNXBMFYSA-N -1 1 316.357 2.282 20 30 DEEDMM C#CCO[N-]C(=O)[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000880079637 690798783 /nfs/dbraw/zinc/79/87/83/690798783.db2.gz RKAASIRABCYULP-QWHCGFSZSA-N -1 1 310.394 2.141 20 30 DEEDMM O=C(c1ccc([O-])cc1F)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887775247 692446156 /nfs/dbraw/zinc/44/61/56/692446156.db2.gz NZAAYNXKUPYHEJ-UHFFFAOYSA-N -1 1 305.305 2.009 20 30 DEEDMM C=CCC(F)(F)C(=O)N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000889788089 692784103 /nfs/dbraw/zinc/78/41/03/692784103.db2.gz VWIQBFZSGKGLQP-VIFPVBQESA-N -1 1 313.304 2.066 20 30 DEEDMM C=C(Cl)CN1C[C@@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001050029260 693086123 /nfs/dbraw/zinc/08/61/23/693086123.db2.gz GWOZSXOICFCCCV-QWHCGFSZSA-N -1 1 321.808 2.076 20 30 DEEDMM N#Cc1ccc(C(=O)N2CCC(Nc3ccccn3)CC2)cc1[O-] ZINC000927081756 693550590 /nfs/dbraw/zinc/55/05/90/693550590.db2.gz SQBITXYQXUTJJL-UHFFFAOYSA-N -1 1 322.368 2.376 20 30 DEEDMM N#Cc1ccc(C(=O)N[C@@H](CCO)c2ccccc2F)cc1[O-] ZINC001362827939 1153106758 /nfs/dbraw/zinc/10/67/58/1153106758.db2.gz SANGGALPLVMXLU-HNNXBMFYSA-N -1 1 314.316 2.256 20 30 DEEDMM N#Cc1ccc([C@H](O)C(=O)NCc2ccc([O-])c(Cl)c2)cc1 ZINC001362853094 1153115396 /nfs/dbraw/zinc/11/53/96/1153115396.db2.gz AIHNZFPXTKREPN-HNNXBMFYSA-N -1 1 316.744 2.267 20 30 DEEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc(C#N)s1 ZINC001362900963 1153135110 /nfs/dbraw/zinc/13/51/10/1153135110.db2.gz RUNGQHCMDPIMBE-UHFFFAOYSA-N -1 1 316.386 2.477 20 30 DEEDMM N#Cc1nc(NC(=O)c2ccc(NC3=NCCC3)cc2)[n-]c1C#N ZINC001362966183 1153162572 /nfs/dbraw/zinc/16/25/72/1153162572.db2.gz BHCMWOMOVULOHJ-UHFFFAOYSA-N -1 1 319.328 2.010 20 30 DEEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2Cc2ccccc2)o1 ZINC001414380624 1165814746 /nfs/dbraw/zinc/81/47/46/1165814746.db2.gz PQTCIMVYKWKRHQ-KGLIPLIRSA-N -1 1 316.382 2.308 20 30 DEEDMM N#Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1[O-] ZINC001418536672 1167789647 /nfs/dbraw/zinc/78/96/47/1167789647.db2.gz QFNVCEFBEFJFBL-HYVNUMGLSA-N -1 1 308.312 2.471 20 30 DEEDMM Cc1nsc([N-]C(=O)c2ncc(Br)cn2)c1C#N ZINC001433466766 1177842929 /nfs/dbraw/zinc/84/29/29/1177842929.db2.gz MNXXPFGRNSPSPN-UHFFFAOYSA-N -1 1 324.163 2.128 20 30 DEEDMM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(F)c([O-])c1 ZINC001434160748 1178301743 /nfs/dbraw/zinc/30/17/43/1178301743.db2.gz UUPCAHZLNZAJMW-INIZCTEOSA-N -1 1 314.316 2.209 20 30 DEEDMM Cc1cccc(CS(=O)(=O)[N-]c2cccc(CC#N)n2)c1 ZINC001434649599 1178831645 /nfs/dbraw/zinc/83/16/45/1178831645.db2.gz OPQVJRHXZPCVCF-UHFFFAOYSA-N -1 1 301.371 2.398 20 30 DEEDMM