smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cnc(NC/C=C/CNC(=O)c2ncccc2[O-])cn1 ZINC001107138871 751892270 /nfs/dbraw/zinc/89/22/70/751892270.db2.gz BUBAEQBFTKDJFP-OWOJBTEDSA-N -1 1 310.317 0.847 20 30 DCEDMM N#Cc1cncc(N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001058879138 748417188 /nfs/dbraw/zinc/41/71/88/748417188.db2.gz POVWWOUOYLRQLB-JTQLQIEISA-N -1 1 310.317 0.775 20 30 DCEDMM N#Cc1ccc(N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])nn1 ZINC001061343454 753793962 /nfs/dbraw/zinc/79/39/62/753793962.db2.gz JMSYVRTVIKWHBN-GFCCVEGCSA-N -1 1 324.344 0.848 20 30 DCEDMM N#Cc1nccc(N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001061344469 753794614 /nfs/dbraw/zinc/79/46/14/753794614.db2.gz RWDVINSMGNFBOI-LLVKDONJSA-N -1 1 324.344 0.848 20 30 DCEDMM C[C@]1(NC(=O)c2cnc(C3CC3)[n-]c2=O)CCN(CC#N)C1 ZINC001046680468 753870908 /nfs/dbraw/zinc/87/09/08/753870908.db2.gz CWMVBVJVKJCAJF-HNNXBMFYSA-N -1 1 301.350 0.777 20 30 DCEDMM C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[n-]n3c1nccc3=O)C2 ZINC001096123758 753917783 /nfs/dbraw/zinc/91/77/83/753917783.db2.gz UTXDKRSOEUXZMA-WXHSDQCUSA-N -1 1 313.361 0.544 20 30 DCEDMM N#Cc1nc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)ccc1[N+](=O)[O-] ZINC001170214142 762568926 /nfs/dbraw/zinc/56/89/26/762568926.db2.gz XVOLUUBANXIRJC-UHFFFAOYSA-N -1 1 314.221 0.634 20 30 DCEDMM N#CCN1CC[C@@H]2CN(C(=O)c3cnc(C4CC4)[n-]c3=O)[C@@H]2C1 ZINC001084706546 757978404 /nfs/dbraw/zinc/97/84/04/757978404.db2.gz DFQVPYFSVIPXJV-DGCLKSJQSA-N -1 1 313.361 0.729 20 30 DCEDMM Cc1ncc(CO)c(C(=O)N2CCN(CCC#N)CC2)c1[O-] ZINC001147838620 767858008 /nfs/dbraw/zinc/85/80/08/767858008.db2.gz VAUAEFJUWBWPMZ-UHFFFAOYSA-N -1 1 304.350 0.259 20 30 DCEDMM COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC001109175673 761283788 /nfs/dbraw/zinc/28/37/88/761283788.db2.gz VZEGLUKVVYBLMD-RDBSUJKOSA-N -1 1 315.373 0.772 20 30 DCEDMM CCN(CCNC(=O)c1ncccc1[O-])c1ccnc(C#N)n1 ZINC001100515403 763628538 /nfs/dbraw/zinc/62/85/38/763628538.db2.gz OJEXAOSOOYXTTK-UHFFFAOYSA-N -1 1 312.333 0.705 20 30 DCEDMM C=CCN1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC001090722586 766517627 /nfs/dbraw/zinc/51/76/27/766517627.db2.gz NZOJUYZBRXDCKA-KOLCDFICSA-N -1 1 318.333 0.279 20 30 DCEDMM C=CC[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001144027523 766770491 /nfs/dbraw/zinc/77/04/91/766770491.db2.gz QNOYQQSMZFPKOE-JQWIXIFHSA-N -1 1 322.365 0.240 20 30 DCEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001121625563 767609183 /nfs/dbraw/zinc/60/91/83/767609183.db2.gz DQACOBYZWWVARK-GFCCVEGCSA-N -1 1 322.323 0.804 20 30 DCEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001121625563 767609187 /nfs/dbraw/zinc/60/91/87/767609187.db2.gz DQACOBYZWWVARK-GFCCVEGCSA-N -1 1 322.323 0.804 20 30 DCEDMM C#CCN(CC#C)c1nnc(-c2nc(Cl)n[n-]2)n1CCOC ZINC001122357181 767782195 /nfs/dbraw/zinc/78/21/95/767782195.db2.gz DJNJQUUVQTZUFL-UHFFFAOYSA-N -1 1 319.756 0.436 20 30 DCEDMM COCCNC(=O)C(C#N)=C([O-])c1ccc2cncn2c1C ZINC001122502561 767819096 /nfs/dbraw/zinc/81/90/96/767819096.db2.gz TZZQDFKNMCUDPE-CYBMUJFWSA-N -1 1 300.318 0.728 20 30 DCEDMM C#CCCN1CCN(C(=O)c2cnc(SC)[n-]c2=O)CC1 ZINC001142803567 768665149 /nfs/dbraw/zinc/66/51/49/768665149.db2.gz MFHFUXAZEVRTED-UHFFFAOYSA-N -1 1 306.391 0.685 20 30 DCEDMM CC[C@H](C#CC(=O)OC)Oc1c(C(N)=O)nc(C(C)C)[n-]c1=O ZINC001234566610 769688664 /nfs/dbraw/zinc/68/86/64/769688664.db2.gz YUZQGHGLCROJMK-SECBINFHSA-N -1 1 321.333 0.738 20 30 DCEDMM CC1(C)C(=O)NCCN1C(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154557497 770218275 /nfs/dbraw/zinc/21/82/75/770218275.db2.gz XVEHTGMFZMPZHR-UHFFFAOYSA-N -1 1 324.340 0.750 20 30 DCEDMM N#Cc1cnc(Cl)nc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001159186674 771873922 /nfs/dbraw/zinc/87/39/22/771873922.db2.gz WZLZUBUAWJJLDW-UHFFFAOYSA-N -1 1 304.657 0.196 20 30 DCEDMM C#Cc1cnc(NC(=O)c2n[n-]nc2C(F)(F)F)c(C#C)n1 ZINC001187758718 772223811 /nfs/dbraw/zinc/22/38/11/772223811.db2.gz DROIONCZMXDWBL-UHFFFAOYSA-N -1 1 306.207 0.828 20 30 DCEDMM COCC#CCN(C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001189663712 772516294 /nfs/dbraw/zinc/51/62/94/772516294.db2.gz HMQFPENKLCWWDV-LBPRGKRZSA-N -1 1 306.366 0.220 20 30 DCEDMM C=CCn1cc(C[N-]S(=O)(=O)c2cc(OC)ns2)nn1 ZINC001191582676 772786155 /nfs/dbraw/zinc/78/61/55/772786155.db2.gz IZCBMDUKUAAXLJ-UHFFFAOYSA-N -1 1 315.380 0.408 20 30 DCEDMM CC(C)(O)c1ccc(C(=O)N([O-])C(=N)c2nonc2N)cc1 ZINC001192559839 772932326 /nfs/dbraw/zinc/93/23/26/772932326.db2.gz UZIKLJOQGSGGAN-UHFFFAOYSA-N -1 1 305.294 0.736 20 30 DCEDMM CC(C)(C)OC(=O)N1C[C@@H](F)[C@H]([N-]S(=O)(=O)CC#N)C1 ZINC001192988937 772985179 /nfs/dbraw/zinc/98/51/79/772985179.db2.gz UYBDRXWZEFKPJM-RKDXNWHRSA-N -1 1 307.347 0.387 20 30 DCEDMM CCOC(=O)C(C)(C)S(=O)(=O)[N-]/C=C/C(=O)C(F)(F)F ZINC001193077837 773001266 /nfs/dbraw/zinc/00/12/66/773001266.db2.gz KZKQDXPVIGMXFV-AATRIKPKSA-N -1 1 317.285 0.893 20 30 DCEDMM CC1(c2ccc(C(=O)N([O-])C(=N)c3nonc3N)cc2)COC1 ZINC001196205724 773556659 /nfs/dbraw/zinc/55/66/59/773556659.db2.gz FXOFWBKWVVIQTQ-UHFFFAOYSA-N -1 1 317.305 0.797 20 30 DCEDMM COc1ncc(-n2cnc(C#N)c2N)cc1[N-]S(C)(=O)=O ZINC001216152685 774105973 /nfs/dbraw/zinc/10/59/73/774105973.db2.gz ZZVFSZPWQLIXLB-UHFFFAOYSA-N -1 1 308.323 0.101 20 30 DCEDMM C=CCOC[C@H](CS(=O)(=O)[O-])Oc1nc(C)cc(=O)[nH]1 ZINC001226157910 775773079 /nfs/dbraw/zinc/77/30/79/775773079.db2.gz HARNSGFHMOXXFH-SECBINFHSA-N -1 1 304.324 0.328 20 30 DCEDMM C#C[C@H](CO)NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001602689323 1169159936 /nfs/dbraw/zinc/15/99/36/1169159936.db2.gz QVPYCXYLWDGNCG-SCSAIBSYSA-N -1 1 313.730 0.092 20 30 DCEDMM C#Cc1ccc(C(=O)N(C)C[C@H](C)NCc2n[nH]c(=O)[n-]2)cn1 ZINC001277994173 945088580 /nfs/dbraw/zinc/08/85/80/945088580.db2.gz DHSUZBLEDVOJSQ-JTQLQIEISA-N -1 1 314.349 0.137 20 30 DCEDMM C=C(Cl)CNC/C=C/CNC(=O)c1c[n-]n2c1nccc2=O ZINC001268602223 940293839 /nfs/dbraw/zinc/29/38/39/940293839.db2.gz ZALAHGLRHKCSMZ-NSCUHMNNSA-N -1 1 321.768 0.651 20 30 DCEDMM C#CCN1CC[C@@]2(CCCN2C(=O)c2ccc(F)c(=O)[n-]2)C1=O ZINC001271740268 941441200 /nfs/dbraw/zinc/44/12/00/941441200.db2.gz HDFCGTFEZVGEHY-INIZCTEOSA-N -1 1 317.320 0.767 20 30 DCEDMM C#CCN1CC2(CN(C(=O)c3ccc([O-])cc3F)C2)OCC1=O ZINC001272223817 941821242 /nfs/dbraw/zinc/82/12/42/941821242.db2.gz DBLPOZMXPYEGGC-UHFFFAOYSA-N -1 1 318.304 0.218 20 30 DCEDMM C=CCN1C(=O)COCC12CN(C(=O)c1ccc(F)c([O-])c1)C2 ZINC001272226725 941826928 /nfs/dbraw/zinc/82/69/28/941826928.db2.gz HOKKTWRFZSVBNL-UHFFFAOYSA-N -1 1 320.320 0.771 20 30 DCEDMM C=CC[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)OC ZINC001258465951 942076765 /nfs/dbraw/zinc/07/67/65/942076765.db2.gz QULMIXGUAVKJPG-MRVPVSSYSA-N -1 1 321.786 0.778 20 30 DCEDMM C[C@@H](O)[C@@H]1CCCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1 ZINC001412961595 942158767 /nfs/dbraw/zinc/15/87/67/942158767.db2.gz PVBPJSCLJPEYFM-GHMZBOCLSA-N -1 1 301.350 0.899 20 30 DCEDMM COC1(CO)CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1 ZINC001413021042 942207394 /nfs/dbraw/zinc/20/73/94/942207394.db2.gz MXBOLMGSEYAIOX-UHFFFAOYSA-N -1 1 317.349 0.280 20 30 DCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001272420263 942745359 /nfs/dbraw/zinc/74/53/59/942745359.db2.gz LMDKYRBMLPKWMZ-IAQYHMDHSA-N -1 1 323.397 0.166 20 30 DCEDMM COC[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1nn[n-]n1 ZINC001413553394 943070976 /nfs/dbraw/zinc/07/09/76/943070976.db2.gz LFQCMHRSCOMTHQ-GXFFZTMASA-N -1 1 314.349 0.754 20 30 DCEDMM N#Cc1cnccc1N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001056612438 943341407 /nfs/dbraw/zinc/34/14/07/943341407.db2.gz JLVBIVPNQDSYIE-GFCCVEGCSA-N -1 1 309.329 0.802 20 30 DCEDMM COCC#CCN(C)C[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[O-] ZINC001485056070 943668387 /nfs/dbraw/zinc/66/83/87/943668387.db2.gz OYLGXJKGMDTBBS-CYBMUJFWSA-N -1 1 320.393 0.610 20 30 DCEDMM C#CCN1CC2(CN(Cc3ccc([O-])c(F)c3F)C2)OCC1=O ZINC001272724940 944165078 /nfs/dbraw/zinc/16/50/78/944165078.db2.gz RQHQKQJKKOLPAO-UHFFFAOYSA-N -1 1 322.311 0.717 20 30 DCEDMM C=CCCC(=O)N[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC001276561358 944215402 /nfs/dbraw/zinc/21/54/02/944215402.db2.gz LGXDLDZTVYYJSE-NSHDSACASA-N -1 1 307.398 0.401 20 30 DCEDMM N#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)s1)C(N)=O ZINC001257521730 946743060 /nfs/dbraw/zinc/74/30/60/946743060.db2.gz XWJKCMCGOUICSP-SCSAIBSYSA-N -1 1 314.175 0.711 20 30 DCEDMM N#Cc1ccc(S(=O)(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)cc1 ZINC001258045611 946796237 /nfs/dbraw/zinc/79/62/37/946796237.db2.gz QKUABUHHYZLGCU-UHFFFAOYSA-N -1 1 321.274 0.958 20 30 DCEDMM C#CCN1C(=O)COCC12CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001273375266 946915954 /nfs/dbraw/zinc/91/59/54/946915954.db2.gz XAUAWRRXUGFLBZ-UHFFFAOYSA-N -1 1 322.311 0.717 20 30 DCEDMM C[C@H](C#N)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573558400 946938636 /nfs/dbraw/zinc/93/86/36/946938636.db2.gz KNIIUOSWPTXMGP-BDAKNGLRSA-N -1 1 315.341 0.075 20 30 DCEDMM C[C@H](C#N)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573558400 946938643 /nfs/dbraw/zinc/93/86/43/946938643.db2.gz KNIIUOSWPTXMGP-BDAKNGLRSA-N -1 1 315.341 0.075 20 30 DCEDMM C[C@H](C#N)C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001573559114 946949590 /nfs/dbraw/zinc/94/95/90/946949590.db2.gz ZROAJLXYVXRNIS-RKDXNWHRSA-N -1 1 315.341 0.075 20 30 DCEDMM C[C@H](C#N)C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001573559114 946949595 /nfs/dbraw/zinc/94/95/95/946949595.db2.gz ZROAJLXYVXRNIS-RKDXNWHRSA-N -1 1 315.341 0.075 20 30 DCEDMM N#Cc1cnn2c1[nH]c(=O)cc2[N-]S(=O)(=O)c1cccnc1 ZINC001259602054 946968172 /nfs/dbraw/zinc/96/81/72/946968172.db2.gz DCGXXGGEVNKSGJ-UHFFFAOYSA-N -1 1 316.302 0.502 20 30 DCEDMM C=CCNC(=O)CN1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001602723242 971395631 /nfs/dbraw/zinc/39/56/31/971395631.db2.gz XFASJIOGBGYCDZ-RYUDHWBXSA-N -1 1 306.366 0.212 20 30 DCEDMM C=CCn1cnnc1Sc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001573351329 947612902 /nfs/dbraw/zinc/61/29/02/947612902.db2.gz QZWVFWHRWNXZOS-UHFFFAOYSA-N -1 1 312.322 0.457 20 30 DCEDMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C#CCOC)n[n-]1 ZINC001328359353 948855257 /nfs/dbraw/zinc/85/52/57/948855257.db2.gz AVJPFVDAKGXPHK-LLVKDONJSA-N -1 1 322.365 0.835 20 30 DCEDMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C#CCOC)[n-]1 ZINC001328359353 948855273 /nfs/dbraw/zinc/85/52/73/948855273.db2.gz AVJPFVDAKGXPHK-LLVKDONJSA-N -1 1 322.365 0.835 20 30 DCEDMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C#CCOC)n1 ZINC001328359353 948855291 /nfs/dbraw/zinc/85/52/91/948855291.db2.gz AVJPFVDAKGXPHK-LLVKDONJSA-N -1 1 322.365 0.835 20 30 DCEDMM C[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)[C@@H]1CCO ZINC001576179090 949907700 /nfs/dbraw/zinc/90/77/00/949907700.db2.gz JWRLQTLTNSPRLG-MWLCHTKSSA-N -1 1 314.353 0.516 20 30 DCEDMM C[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)[C@@H]1CCO ZINC001576179090 949907715 /nfs/dbraw/zinc/90/77/15/949907715.db2.gz JWRLQTLTNSPRLG-MWLCHTKSSA-N -1 1 314.353 0.516 20 30 DCEDMM CC(C)(C)[S@@](=O)CCNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001573876932 950683108 /nfs/dbraw/zinc/68/31/08/950683108.db2.gz WVQNGTMQENIVPK-QFIPXVFZSA-N -1 1 320.382 0.487 20 30 DCEDMM 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LHTAKICYXIQVKD-UHFFFAOYSA-N -1 1 320.316 0.689 20 30 DCEDMM C#Cc1cccc(NC(=O)CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001588375229 1166550328 /nfs/dbraw/zinc/55/03/28/1166550328.db2.gz LHTAKICYXIQVKD-UHFFFAOYSA-N -1 1 320.316 0.689 20 30 DCEDMM C=C[C@@H](CC)CC(=O)NCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001588523325 1166561153 /nfs/dbraw/zinc/56/11/53/1166561153.db2.gz JEAGUCDBTYJNTK-JTQLQIEISA-N -1 1 316.369 0.209 20 30 DCEDMM C=CC[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C1 ZINC001588558873 1166562468 /nfs/dbraw/zinc/56/24/68/1166562468.db2.gz FGABELYRVWCDQK-SNVBAGLBSA-N -1 1 302.342 0.273 20 30 DCEDMM C=CCC1(O)CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001588558650 1166562552 /nfs/dbraw/zinc/56/25/52/1166562552.db2.gz BAZNPEYBBJRYKQ-UHFFFAOYSA-N -1 1 303.297 0.769 20 30 DCEDMM C=CCC1(O)CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001588558650 1166562559 /nfs/dbraw/zinc/56/25/59/1166562559.db2.gz BAZNPEYBBJRYKQ-UHFFFAOYSA-N -1 1 303.297 0.769 20 30 DCEDMM C=CCN(CC=C)C(=O)Cn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001588631426 1166570881 /nfs/dbraw/zinc/57/08/81/1166570881.db2.gz DVMWSVSFKVYLNJ-UHFFFAOYSA-N -1 1 301.354 0.881 20 30 DCEDMM C=CCN(CC=C)C(=O)Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001588631426 1166570885 /nfs/dbraw/zinc/57/08/85/1166570885.db2.gz DVMWSVSFKVYLNJ-UHFFFAOYSA-N -1 1 301.354 0.881 20 30 DCEDMM C[C@@H](C#N)CN(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588930628 1166618439 /nfs/dbraw/zinc/61/84/39/1166618439.db2.gz BEWRJFQCOYHYMU-ZETCQYMHSA-N -1 1 306.355 0.624 20 30 DCEDMM C[C@@H](C#N)CN(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001588930628 1166618448 /nfs/dbraw/zinc/61/84/48/1166618448.db2.gz BEWRJFQCOYHYMU-ZETCQYMHSA-N -1 1 306.355 0.624 20 30 DCEDMM C[C@H](C(=O)NCC(C)(C)CCC#N)n1cnc(-c2nn[n-]n2)n1 ZINC001588980324 1166623587 /nfs/dbraw/zinc/62/35/87/1166623587.db2.gz XSCBARLDCNGCAO-SECBINFHSA-N -1 1 317.357 0.465 20 30 DCEDMM CC(C)(C)OCCCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001589194185 1166640361 /nfs/dbraw/zinc/64/03/61/1166640361.db2.gz ZJCZEOBMDJIDGO-UHFFFAOYSA-N -1 1 318.341 0.995 20 30 DCEDMM CC(C)O[C@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001589740042 1166681957 /nfs/dbraw/zinc/68/19/57/1166681957.db2.gz VBHDWZYECWAOOJ-JTQLQIEISA-N -1 1 314.353 0.922 20 30 DCEDMM CC(C)[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589762179 1166683936 /nfs/dbraw/zinc/68/39/36/1166683936.db2.gz BGGYKLDQBOYZTE-SNVBAGLBSA-N -1 1 307.339 0.088 20 30 DCEDMM CC(C)[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589762179 1166683941 /nfs/dbraw/zinc/68/39/41/1166683941.db2.gz BGGYKLDQBOYZTE-SNVBAGLBSA-N -1 1 307.339 0.088 20 30 DCEDMM C[C@@H](CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)n1cccn1 ZINC001589795776 1166688394 /nfs/dbraw/zinc/68/83/94/1166688394.db2.gz ZTOOXDKPDCNZSK-ZETCQYMHSA-N -1 1 312.297 0.248 20 30 DCEDMM C[C@H](CC#N)N(C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001589786765 1166689396 /nfs/dbraw/zinc/68/93/96/1166689396.db2.gz CCUFVAGKRBMXAZ-SNVBAGLBSA-N -1 1 313.365 0.709 20 30 DCEDMM C[C@H](C[C@@H]1CCOC1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589803599 1166690443 /nfs/dbraw/zinc/69/04/43/1166690443.db2.gz TXJOFWCAWXHJLC-BDAKNGLRSA-N -1 1 300.326 0.755 20 30 DCEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)[C@H]1CCCOC1 ZINC001589986296 1166737754 /nfs/dbraw/zinc/73/77/54/1166737754.db2.gz CRIQAQRMLCHHGX-IUCAKERBSA-N -1 1 300.326 0.755 20 30 DCEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)[C@H]1CCCOC1 ZINC001589986296 1166737758 /nfs/dbraw/zinc/73/77/58/1166737758.db2.gz CRIQAQRMLCHHGX-IUCAKERBSA-N -1 1 300.326 0.755 20 30 DCEDMM CC1(C)CCC[C@H](Cn2c(N)nc(-c3nn[n-]n3)c2C#N)O1 ZINC001590093572 1166771008 /nfs/dbraw/zinc/77/10/08/1166771008.db2.gz KDFVRZXLCCTQRX-MRVPVSSYSA-N -1 1 302.342 0.865 20 30 DCEDMM CC[C@@H](C#N)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001590367241 1166888637 /nfs/dbraw/zinc/88/86/37/1166888637.db2.gz JAGRKAAHILQEHS-QMMMGPOBSA-N -1 1 317.357 0.113 20 30 DCEDMM CC[C@@H](C#N)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001590367241 1166888642 /nfs/dbraw/zinc/88/86/42/1166888642.db2.gz JAGRKAAHILQEHS-QMMMGPOBSA-N -1 1 317.357 0.113 20 30 DCEDMM COC(=O)C(C)(C)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001591226435 1167165660 /nfs/dbraw/zinc/16/56/60/1167165660.db2.gz BWNFMUHQSOHVST-UHFFFAOYSA-N -1 1 302.298 0.139 20 30 DCEDMM COC(=O)[C@@H]1CCCC[C@H]1Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001591254479 1167179873 /nfs/dbraw/zinc/17/98/73/1167179873.db2.gz IWNIJXUDYBGNKW-VHSXEESVSA-N -1 1 315.337 0.914 20 30 DCEDMM COC1CCC(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001591350628 1167228522 /nfs/dbraw/zinc/22/85/22/1167228522.db2.gz HKVXBWIDQGOMQN-UHFFFAOYSA-N -1 1 300.326 0.898 20 30 DCEDMM COC1CCC(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001591350628 1167228524 /nfs/dbraw/zinc/22/85/24/1167228524.db2.gz HKVXBWIDQGOMQN-UHFFFAOYSA-N -1 1 300.326 0.898 20 30 DCEDMM CO[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC[C@H]1C ZINC001591362772 1167235534 /nfs/dbraw/zinc/23/55/34/1167235534.db2.gz QHGJDRKPDZZFHG-SCZZXKLOSA-N -1 1 300.326 0.390 20 30 DCEDMM CO[C@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC[C@H]1C ZINC001591362772 1167235541 /nfs/dbraw/zinc/23/55/41/1167235541.db2.gz 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0.710 20 30 DCEDMM N#Cc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592700711 1167604687 /nfs/dbraw/zinc/60/46/87/1167604687.db2.gz QSROSBNWBDQHCV-UHFFFAOYSA-N -1 1 307.273 0.885 20 30 DCEDMM N#Cc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592700711 1167604691 /nfs/dbraw/zinc/60/46/91/1167604691.db2.gz QSROSBNWBDQHCV-UHFFFAOYSA-N -1 1 307.273 0.885 20 30 DCEDMM N#Cc1nc(N2CCC[C@@H]2[C@H]2CCCO2)cnc1-c1nnn[n-]1 ZINC001592705244 1167607388 /nfs/dbraw/zinc/60/73/88/1167607388.db2.gz YIKVKDPIBBBKAG-GHMZBOCLSA-N -1 1 312.337 0.676 20 30 DCEDMM N#Cc1nc(N2CCC[C@@H]2[C@H]2CCCO2)cnc1-c1nn[n-]n1 ZINC001592705244 1167607393 /nfs/dbraw/zinc/60/73/93/1167607393.db2.gz YIKVKDPIBBBKAG-GHMZBOCLSA-N -1 1 312.337 0.676 20 30 DCEDMM N#Cc1ncc(NCC#C[C@H]2CCCCO2)nc1-c1nn[n-]n1 ZINC001592710824 1167608764 /nfs/dbraw/zinc/60/87/64/1167608764.db2.gz YUHLZYPDTCMGEG-SNVBAGLBSA-N -1 1 310.321 0.513 20 30 DCEDMM Cn1c(C#N)ccc1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001600899309 1168499844 /nfs/dbraw/zinc/49/98/44/1168499844.db2.gz VKTLMHCIAPUGQS-UHFFFAOYSA-N -1 1 304.350 0.518 20 30 DCEDMM N#CCN(CCC(=O)[O-])C(=O)C1CCC(N2CCOCC2)CC1 ZINC001601071042 1168581096 /nfs/dbraw/zinc/58/10/96/1168581096.db2.gz PVLGGNABRKOZLZ-UHFFFAOYSA-N -1 1 323.393 0.704 20 30 DCEDMM N#Cc1ccc2ncc(CN3C[C@H](O)C[C@@H](C(=O)[O-])C3)n2c1 ZINC001601115953 1168587030 /nfs/dbraw/zinc/58/70/30/1168587030.db2.gz FTGQTAZNAPPPOV-DGCLKSJQSA-N -1 1 300.318 0.473 20 30 DCEDMM N#Cc1cccc([C@H](OC(=O)CCc2nc[nH]n2)C(=O)[O-])c1 ZINC001601118187 1168587106 /nfs/dbraw/zinc/58/71/06/1168587106.db2.gz UIJLKUPQTZGXSK-ZDUSSCGKSA-N -1 1 300.274 0.978 20 30 DCEDMM N#Cc1nc(C(=O)[O-])ccc1N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC001601133251 1168592280 /nfs/dbraw/zinc/59/22/80/1168592280.db2.gz MISVLTRBENCJMS-CABCVRRESA-N -1 1 316.361 0.687 20 30 DCEDMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cccc(C#CCO)c1 ZINC001601565416 1168782158 /nfs/dbraw/zinc/78/21/58/1168782158.db2.gz YGERTXFVOKIKSC-AWEZNQCLSA-N -1 1 313.313 0.179 20 30 DCEDMM C#CC[C@H](OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001602696579 1169161854 /nfs/dbraw/zinc/16/18/54/1169161854.db2.gz CIPMUOUQACBWEY-UWVGGRQHSA-N -1 1 303.326 0.610 20 30 DCEDMM C#CC[C@@H](OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001602696583 1169162030 /nfs/dbraw/zinc/16/20/30/1169162030.db2.gz CIPMUOUQACBWEY-VHSXEESVSA-N -1 1 303.326 0.610 20 30 DCEDMM C#CC[C@@H](NC(=O)c1nc[nH]c(=O)c1Br)C(=O)[O-] ZINC001602694274 1169162882 /nfs/dbraw/zinc/16/28/82/1169162882.db2.gz KPTVAGUMVNCYKL-RXMQYKEDSA-N -1 1 314.095 0.151 20 30 DCEDMM C#CCSCC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001602733304 1169176831 /nfs/dbraw/zinc/17/68/31/1169176831.db2.gz XCUKWOPZAWOZBQ-UHFFFAOYSA-N -1 1 314.374 0.907 20 30 DCEDMM C#CCSCC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001602733304 1169176835 /nfs/dbraw/zinc/17/68/35/1169176835.db2.gz XCUKWOPZAWOZBQ-UHFFFAOYSA-N -1 1 314.374 0.907 20 30 DCEDMM C=C1CN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC001602776940 1169182931 /nfs/dbraw/zinc/18/29/31/1169182931.db2.gz MPMYKJOPEIQDOR-UHFFFAOYSA-N -1 1 304.335 0.701 20 30 DCEDMM C=CCC1(O)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001602822543 1169187568 /nfs/dbraw/zinc/18/75/68/1169187568.db2.gz BBWHQWSGGIKQHW-UHFFFAOYSA-N -1 1 303.282 0.297 20 30 DCEDMM C=CCC1(O)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001602822543 1169187575 /nfs/dbraw/zinc/18/75/75/1169187575.db2.gz BBWHQWSGGIKQHW-UHFFFAOYSA-N -1 1 303.282 0.297 20 30 DCEDMM C=CCCC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001602823322 1169187972 /nfs/dbraw/zinc/18/79/72/1169187972.db2.gz BAYQOLYUJOWULD-UHFFFAOYSA-N -1 1 302.342 0.493 20 30 DCEDMM C=CCCC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001602823322 1169187979 /nfs/dbraw/zinc/18/79/79/1169187979.db2.gz BAYQOLYUJOWULD-UHFFFAOYSA-N -1 1 302.342 0.493 20 30 DCEDMM C=CCCCCCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001602834348 1169190148 /nfs/dbraw/zinc/19/01/48/1169190148.db2.gz QFDLHDAIDSPZMM-UHFFFAOYSA-N -1 1 304.358 0.711 20 30 DCEDMM C=CCCCC(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001602834115 1169190462 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/nfs/dbraw/zinc/19/68/62/1165196862.db2.gz VNHIPAMWFFOWOB-LBPRGKRZSA-N -1 1 322.332 0.698 20 30 DCEDMM CN(C[C@H](O)c1cccc(C#N)c1)c1cncc(-c2nnn[n-]2)n1 ZINC001579063499 1165197743 /nfs/dbraw/zinc/19/77/43/1165197743.db2.gz DEMGBMJULBLOAW-ZDUSSCGKSA-N -1 1 322.332 0.698 20 30 DCEDMM CN(C[C@H](O)c1cccc(C#N)c1)c1cncc(-c2nn[n-]n2)n1 ZINC001579063499 1165197749 /nfs/dbraw/zinc/19/77/49/1165197749.db2.gz DEMGBMJULBLOAW-ZDUSSCGKSA-N -1 1 322.332 0.698 20 30 DCEDMM C#CCCCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001579135532 1165219323 /nfs/dbraw/zinc/21/93/23/1165219323.db2.gz HTSBYZMLWVBLAI-JYAVWHMHSA-N -1 1 313.357 0.777 20 30 DCEDMM CN(Cc1noc(C2CC2)n1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579266651 1165256413 /nfs/dbraw/zinc/25/64/13/1165256413.db2.gz VVDIXCSLNYTJIJ-UHFFFAOYSA-N -1 1 324.308 0.425 20 30 DCEDMM COC(=O)[C@@H](CC1CC1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579433439 1165308536 /nfs/dbraw/zinc/30/85/36/1165308536.db2.gz GLSCRMWXIGXYFI-MRVPVSSYSA-N -1 1 314.309 0.282 20 30 DCEDMM COC(=O)C[C@H]1CCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579448046 1165311605 /nfs/dbraw/zinc/31/16/05/1165311605.db2.gz WYCNBYINUJBGBA-MRVPVSSYSA-N -1 1 314.309 0.060 20 30 DCEDMM COC(=O)c1cc(Cn2c(C)nc(-c3nn[n-]n3)c2C#N)on1 ZINC001579478547 1165325964 /nfs/dbraw/zinc/32/59/64/1165325964.db2.gz MLTYBFOAOYZSNU-UHFFFAOYSA-N -1 1 314.265 0.066 20 30 DCEDMM CO[C@@H]1[C@@H](C)[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1(C)C ZINC001579602846 1165358014 /nfs/dbraw/zinc/35/80/14/1165358014.db2.gz WOJJTCLFIREVEH-CQFDHEJISA-N -1 1 314.353 1.000 20 30 DCEDMM N#CCc1ccccc1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001581859474 1165892396 /nfs/dbraw/zinc/89/23/96/1165892396.db2.gz JAUIUEWHTDXWJG-UHFFFAOYSA-N -1 1 308.305 0.837 20 30 DCEDMM N#CCc1ccccc1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001581859474 1165892399 /nfs/dbraw/zinc/89/23/99/1165892399.db2.gz JAUIUEWHTDXWJG-UHFFFAOYSA-N -1 1 308.305 0.837 20 30 DCEDMM N#Cc1cccc(NC2CN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001581875817 1165897490 /nfs/dbraw/zinc/89/74/90/1165897490.db2.gz RKEUWWQXEFBNDK-UHFFFAOYSA-N -1 1 319.332 0.829 20 30 DCEDMM N#Cc1cccc(NC2CN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001581875817 1165897498 /nfs/dbraw/zinc/89/74/98/1165897498.db2.gz RKEUWWQXEFBNDK-UHFFFAOYSA-N -1 1 319.332 0.829 20 30 DCEDMM N#Cc1nc(N[C@@H]2CCCN(CCF)C2)cnc1-c1nnn[n-]1 ZINC001581880570 1165899141 /nfs/dbraw/zinc/89/91/41/1165899141.db2.gz ORUXVSGUYJRQDC-SECBINFHSA-N -1 1 317.332 0.374 20 30 DCEDMM N#Cc1nc(N[C@@H]2CCCN(CCF)C2)cnc1-c1nn[n-]n1 ZINC001581880570 1165899147 /nfs/dbraw/zinc/89/91/47/1165899147.db2.gz ORUXVSGUYJRQDC-SECBINFHSA-N -1 1 317.332 0.374 20 30 DCEDMM N#Cc1nc(NCc2ccc(C(N)=O)cc2)cnc1-c1nnn[n-]1 ZINC001581881082 1165902713 /nfs/dbraw/zinc/90/27/13/1165902713.db2.gz IRKBOPQWYGBDPK-UHFFFAOYSA-N -1 1 321.304 0.239 20 30 DCEDMM N#Cc1nc(NCc2ccc(C(N)=O)cc2)cnc1-c1nn[n-]n1 ZINC001581881082 1165902717 /nfs/dbraw/zinc/90/27/17/1165902717.db2.gz IRKBOPQWYGBDPK-UHFFFAOYSA-N -1 1 321.304 0.239 20 30 DCEDMM N#Cc1ncc(NCc2ccc(C(N)=O)cc2)nc1-c1nn[n-]n1 ZINC001581884051 1165904016 /nfs/dbraw/zinc/90/40/16/1165904016.db2.gz INOPLTBAIQONQU-UHFFFAOYSA-N -1 1 321.304 0.239 20 30 DCEDMM C#CCO[C@H](C)C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001582174779 1165977110 /nfs/dbraw/zinc/97/71/10/1165977110.db2.gz VGIWZHCHAQBVOY-LLVKDONJSA-N -1 1 317.345 0.014 20 30 DCEDMM C#C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588326523 1166524206 /nfs/dbraw/zinc/52/42/06/1166524206.db2.gz ODRHWOFTKPKYQA-ZETCQYMHSA-N -1 1 322.306 0.075 20 30 DCEDMM C#CC1CCN(c2nnc(-c3c[nH]nc3-c3nn[n-]n3)n2C)CC1 ZINC001588331007 1166527685 /nfs/dbraw/zinc/52/76/85/1166527685.db2.gz NILAQZRXMIHEOW-UHFFFAOYSA-N -1 1 324.352 0.235 20 30 DCEDMM C#CC1(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CCCC1 ZINC001588333459 1166529654 /nfs/dbraw/zinc/52/96/54/1166529654.db2.gz RKEQOBUSZJGJAL-UHFFFAOYSA-N -1 1 312.333 0.952 20 30 DCEDMM C#CCCCC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588336776 1166531535 /nfs/dbraw/zinc/53/15/35/1166531535.db2.gz UAPSFXXBGOXBSP-UHFFFAOYSA-N -1 1 314.353 0.331 20 30 DCEDMM C#CCCCC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588336776 1166531540 /nfs/dbraw/zinc/53/15/40/1166531540.db2.gz UAPSFXXBGOXBSP-UHFFFAOYSA-N -1 1 314.353 0.331 20 30 DCEDMM C#CCCN(CCOC)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588346216 1166533827 /nfs/dbraw/zinc/53/38/27/1166533827.db2.gz CSECZGJYZSRFRO-UHFFFAOYSA-N -1 1 315.337 0.765 20 30 DCEDMM C#CCCN(CCOC)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588346216 1166533832 /nfs/dbraw/zinc/53/38/32/1166533832.db2.gz CSECZGJYZSRFRO-UHFFFAOYSA-N -1 1 315.337 0.765 20 30 DCEDMM C=C[C@@H]1CCCCN1C(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588527661 1166561068 /nfs/dbraw/zinc/56/10/68/1166561068.db2.gz SFMYYULVZXSLHC-SNVBAGLBSA-N -1 1 317.357 0.208 20 30 DCEDMM C=CCC1(O)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001588558653 1166561923 /nfs/dbraw/zinc/56/19/23/1166561923.db2.gz BEAHMWFNDQRRTD-UHFFFAOYSA-N -1 1 302.294 0.902 20 30 DCEDMM C=CCC1(O)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001588558653 1166561930 /nfs/dbraw/zinc/56/19/30/1166561930.db2.gz BEAHMWFNDQRRTD-UHFFFAOYSA-N -1 1 302.294 0.902 20 30 DCEDMM C=CCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001588576308 1166565007 /nfs/dbraw/zinc/56/50/07/1166565007.db2.gz LWKIOZAVZCZSQC-SNVBAGLBSA-N -1 1 314.353 0.318 20 30 DCEDMM C=CCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001588576308 1166565013 /nfs/dbraw/zinc/56/50/13/1166565013.db2.gz LWKIOZAVZCZSQC-SNVBAGLBSA-N -1 1 314.353 0.318 20 30 DCEDMM C=CCNC(=O)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001588659072 1166576685 /nfs/dbraw/zinc/57/66/85/1166576685.db2.gz HNGCMRRALAECJA-UHFFFAOYSA-N -1 1 304.285 0.038 20 30 DCEDMM C=CCNC(=O)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001588659072 1166576692 /nfs/dbraw/zinc/57/66/92/1166576692.db2.gz HNGCMRRALAECJA-UHFFFAOYSA-N -1 1 304.285 0.038 20 30 DCEDMM C=CCOCCNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588682043 1166579245 /nfs/dbraw/zinc/57/92/45/1166579245.db2.gz AFYZDEMSDYJATI-UHFFFAOYSA-N -1 1 309.355 0.325 20 30 DCEDMM C=CCOCCNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001588682043 1166579250 /nfs/dbraw/zinc/57/92/50/1166579250.db2.gz AFYZDEMSDYJATI-UHFFFAOYSA-N -1 1 309.355 0.325 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001588725356 1166582609 /nfs/dbraw/zinc/58/26/09/1166582609.db2.gz BXVDPTSIRIKEFM-WPRPVWTQSA-N -1 1 318.341 0.313 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001588725356 1166582615 /nfs/dbraw/zinc/58/26/15/1166582615.db2.gz BXVDPTSIRIKEFM-WPRPVWTQSA-N -1 1 318.341 0.313 20 30 DCEDMM CC#CCCCC(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001588743985 1166584632 /nfs/dbraw/zinc/58/46/32/1166584632.db2.gz OXFLJGONENNUKH-UHFFFAOYSA-N -1 1 314.353 0.378 20 30 DCEDMM CC#CCCCC(=O)NCCNc1nccnc1-c1nn[n-]n1 ZINC001588743985 1166584642 /nfs/dbraw/zinc/58/46/42/1166584642.db2.gz OXFLJGONENNUKH-UHFFFAOYSA-N -1 1 314.353 0.378 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(=O)[nH]n2)o1 ZINC001588781176 1166590666 /nfs/dbraw/zinc/59/06/66/1166590666.db2.gz JZMYIHPIZHENLN-UHFFFAOYSA-N -1 1 301.270 0.495 20 30 DCEDMM C[C@@H](C#N)C(=O)N(C)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001588926593 1166616136 /nfs/dbraw/zinc/61/61/36/1166616136.db2.gz GREPERXKJGPHSU-VIFPVBQESA-N -1 1 315.341 0.077 20 30 DCEDMM C[C@@H](C#N)C(=O)N(C)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001588926593 1166616147 /nfs/dbraw/zinc/61/61/47/1166616147.db2.gz GREPERXKJGPHSU-VIFPVBQESA-N -1 1 315.341 0.077 20 30 DCEDMM C[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)[C@@H]1CCCOC1 ZINC001589986991 1166737901 /nfs/dbraw/zinc/73/79/01/1166737901.db2.gz AUKVSWZGQGQZAB-RKDXNWHRSA-N -1 1 300.326 0.755 20 30 DCEDMM CC1(C)C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CCO1 ZINC001590083224 1166769367 /nfs/dbraw/zinc/76/93/67/1166769367.db2.gz BKRAIAWJUMJKOT-QMMMGPOBSA-N -1 1 300.326 0.898 20 30 DCEDMM CC1(C)C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CCO1 ZINC001590083224 1166769372 /nfs/dbraw/zinc/76/93/72/1166769372.db2.gz BKRAIAWJUMJKOT-QMMMGPOBSA-N -1 1 300.326 0.898 20 30 DCEDMM CC1(C)C[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001590084027 1166772314 /nfs/dbraw/zinc/77/23/14/1166772314.db2.gz SMKQSWBKGFZKRJ-MRVPVSSYSA-N -1 1 300.326 0.898 20 30 DCEDMM CCCC[C@](C)(CO)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590573843 1166946769 /nfs/dbraw/zinc/94/67/69/1166946769.db2.gz LUWRPKNRYDRFPV-CYBMUJFWSA-N -1 1 302.342 0.881 20 30 DCEDMM CCc1noc(C)c1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590934404 1167057056 /nfs/dbraw/zinc/05/70/56/1167057056.db2.gz DPMUWMCPKYICBA-UHFFFAOYSA-N -1 1 311.309 0.999 20 30 DCEDMM CCc1noc(C)c1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590934404 1167057061 /nfs/dbraw/zinc/05/70/61/1167057061.db2.gz DPMUWMCPKYICBA-UHFFFAOYSA-N -1 1 311.309 0.999 20 30 DCEDMM COC(=O)c1cnoc1Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001591305841 1167207797 /nfs/dbraw/zinc/20/77/97/1167207797.db2.gz IYEZRNMPCAIFEK-UHFFFAOYSA-N -1 1 314.265 0.066 20 30 DCEDMM CO[C@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC[C@@H]1C ZINC001591360022 1167233976 /nfs/dbraw/zinc/23/39/76/1167233976.db2.gz GRJBUGBJXSHMIK-WPRPVWTQSA-N -1 1 300.326 0.390 20 30 DCEDMM COCC[C@](C)(C#N)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591397410 1167265551 /nfs/dbraw/zinc/26/55/51/1167265551.db2.gz DEMYZRMPWXWPFO-CYBMUJFWSA-N -1 1 301.310 0.310 20 30 DCEDMM COCC[C@](C)(C#N)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591397410 1167265558 /nfs/dbraw/zinc/26/55/58/1167265558.db2.gz DEMYZRMPWXWPFO-CYBMUJFWSA-N -1 1 301.310 0.310 20 30 DCEDMM COc1cc(C#N)ccc1Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001591509212 1167318282 /nfs/dbraw/zinc/31/82/82/1167318282.db2.gz SDNMVBRPYQPROC-UHFFFAOYSA-N -1 1 306.289 0.863 20 30 DCEDMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C#N)C(C)(C)C ZINC001591834538 1167391687 /nfs/dbraw/zinc/39/16/87/1167391687.db2.gz BGQNTBBOMVPEKA-SECBINFHSA-N -1 1 315.337 0.944 20 30 DCEDMM Cc1ccc(NC(=O)Cn2c(N)nc(-c3nn[n-]n3)c2C#N)cc1 ZINC001592182474 1167471040 /nfs/dbraw/zinc/47/10/40/1167471040.db2.gz OYGAGBHMVWRZSQ-UHFFFAOYSA-N -1 1 323.320 0.464 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccccc2C(N)=O)o1 ZINC001592338642 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N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001601047811 1168576944 /nfs/dbraw/zinc/57/69/44/1168576944.db2.gz YLJUHWSJHVMTTR-TUAOUCFPSA-N -1 1 308.334 0.776 20 30 DCEDMM N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001601063523 1168579903 /nfs/dbraw/zinc/57/99/03/1168579903.db2.gz SNGFZECUEIYGHG-SKDRFNHKSA-N -1 1 306.297 0.686 20 30 DCEDMM N#Cc1ccc(CCN2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1 ZINC001601097515 1168584638 /nfs/dbraw/zinc/58/46/38/1168584638.db2.gz GPRLGHIWERVVEH-CQSZACIVSA-N -1 1 301.346 0.766 20 30 DCEDMM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001601783173 1168894225 /nfs/dbraw/zinc/89/42/25/1168894225.db2.gz SYYAGSFHVZTSKR-KGLIPLIRSA-N -1 1 304.321 0.604 20 30 DCEDMM C#C[C@@H](C)NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001602689826 1169160748 /nfs/dbraw/zinc/16/07/48/1169160748.db2.gz MEGQPZOVCWHWIV-MRVPVSSYSA-N -1 1 309.326 0.614 20 30 DCEDMM C#CC[C@H](NC(=O)c1nc[nH]c(=O)c1Br)C(=O)[O-] ZINC001602694276 1169162285 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1167463384 /nfs/dbraw/zinc/46/33/84/1167463384.db2.gz RTVQLYRCUPVGJC-UHFFFAOYSA-N -1 1 307.321 0.868 20 30 DCEDMM Cc1ccc(CN(C)c2cnc(-c3nn[n-]n3)c(C#N)n2)nc1 ZINC001592152512 1167463389 /nfs/dbraw/zinc/46/33/89/1167463389.db2.gz RTVQLYRCUPVGJC-UHFFFAOYSA-N -1 1 307.321 0.868 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)N[C@H](C)C(C)C ZINC001592335087 1167491871 /nfs/dbraw/zinc/49/18/71/1167491871.db2.gz KXBPDMUIFGUJDR-MRVPVSSYSA-N -1 1 302.342 0.404 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2nc(C#N)cs2)o1 ZINC001592338769 1167494403 /nfs/dbraw/zinc/49/44/03/1167494403.db2.gz MOBTYASZUCMJFI-UHFFFAOYSA-N -1 1 301.295 0.937 20 30 DCEDMM Cc1noc(CCCNc2cnc(C#N)c(-c3nn[n-]n3)n2)n1 ZINC001592462837 1167532744 /nfs/dbraw/zinc/53/27/44/1167532744.db2.gz RTTRQNSPULLJMU-UHFFFAOYSA-N -1 1 312.297 0.265 20 30 DCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nn(C)c(C)c1C#N ZINC001592501341 1167540993 /nfs/dbraw/zinc/54/09/93/1167540993.db2.gz IZIDMZOPJLWTMW-UHFFFAOYSA-N -1 1 312.293 0.934 20 30 DCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nn(C)c(C)c1C#N ZINC001592501341 1167540998 /nfs/dbraw/zinc/54/09/98/1167540998.db2.gz IZIDMZOPJLWTMW-UHFFFAOYSA-N -1 1 312.293 0.934 20 30 DCEDMM N#Cc1[n-]c(NC(=O)c2coc(C3CC3)n2)nc1-c1nn[nH]n1 ZINC001592681764 1167600859 /nfs/dbraw/zinc/60/08/59/1167600859.db2.gz IKGQFLZQNZPUAR-UHFFFAOYSA-N -1 1 311.265 0.579 20 30 DCEDMM N#Cc1ccc(OCCOc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001592696013 1167602087 /nfs/dbraw/zinc/60/20/87/1167602087.db2.gz XXEMOFRVRPUPFT-UHFFFAOYSA-N -1 1 309.289 0.986 20 30 DCEDMM N#Cc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)nc1 ZINC001592690637 1167602100 /nfs/dbraw/zinc/60/21/00/1167602100.db2.gz OHDGMEAFGRXVHS-UHFFFAOYSA-N -1 1 321.304 0.986 20 30 DCEDMM N#Cc1ccnc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001592702070 1167604036 /nfs/dbraw/zinc/60/40/36/1167604036.db2.gz GTSJRKAZQGCNAL-UHFFFAOYSA-N -1 1 312.318 0.520 20 30 DCEDMM N#Cc1ccnc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001592702070 1167604040 /nfs/dbraw/zinc/60/40/40/1167604040.db2.gz GTSJRKAZQGCNAL-UHFFFAOYSA-N -1 1 312.318 0.520 20 30 DCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CCOc1cccc(C#N)c1 ZINC001592700432 1167605366 /nfs/dbraw/zinc/60/53/66/1167605366.db2.gz UQRVRBLKOSHRSA-UHFFFAOYSA-N -1 1 321.304 0.468 20 30 DCEDMM N#Cc1nc(Sc2n[nH]c(C3CC3)n2)cnc1-c1nn[n-]n1 ZINC001592707405 1167607006 /nfs/dbraw/zinc/60/70/06/1167607006.db2.gz BSJWRAJYDJUZNG-UHFFFAOYSA-N -1 1 312.322 0.675 20 30 DCEDMM N#Cc1nc(N2CCCc3n[nH]cc3C2)cnc1-c1nnn[n-]1 ZINC001592705354 1167607729 /nfs/dbraw/zinc/60/77/29/1167607729.db2.gz ZOHXEAUIDCKDCN-UHFFFAOYSA-N -1 1 308.309 0.204 20 30 DCEDMM N#Cc1nc(N2CCCc3n[nH]cc3C2)cnc1-c1nn[n-]n1 ZINC001592705354 1167607733 /nfs/dbraw/zinc/60/77/33/1167607733.db2.gz ZOHXEAUIDCKDCN-UHFFFAOYSA-N -1 1 308.309 0.204 20 30 DCEDMM N#Cc1nc(NCCCOc2ncccn2)cnc1-c1nnn[n-]1 ZINC001592707756 1167607831 /nfs/dbraw/zinc/60/78/31/1167607831.db2.gz AKWDYVGXPOMQBO-UHFFFAOYSA-N -1 1 324.308 0.199 20 30 DCEDMM N#Cc1nc(NCCCOc2ncccn2)cnc1-c1nn[n-]n1 ZINC001592707756 1167607835 /nfs/dbraw/zinc/60/78/35/1167607835.db2.gz AKWDYVGXPOMQBO-UHFFFAOYSA-N -1 1 324.308 0.199 20 30 DCEDMM N#Cc1ncn(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC001592709405 1167609074 /nfs/dbraw/zinc/60/90/74/1167609074.db2.gz DTQOGQKGHFHAFQ-UHFFFAOYSA-N -1 1 316.716 0.490 20 30 DCEDMM N#Cc1ncn(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC001592709405 1167609080 /nfs/dbraw/zinc/60/90/80/1167609080.db2.gz DTQOGQKGHFHAFQ-UHFFFAOYSA-N -1 1 316.716 0.490 20 30 DCEDMM O=C(NCC#CCO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593004334 1167684210 /nfs/dbraw/zinc/68/42/10/1167684210.db2.gz NONXVHBRWGHEIB-UHFFFAOYSA-N -1 1 313.730 0.094 20 30 DCEDMM N#CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC001601051873 1168577497 /nfs/dbraw/zinc/57/74/97/1168577497.db2.gz WIWQFGQUVMKHEG-SNVBAGLBSA-N -1 1 317.349 0.667 20 30 DCEDMM N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001601063518 1168579993 /nfs/dbraw/zinc/57/99/93/1168579993.db2.gz SNGFZECUEIYGHG-BXKDBHETSA-N -1 1 306.297 0.686 20 30 DCEDMM C#CC[C@H](COC)NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001602684221 1169158596 /nfs/dbraw/zinc/15/85/96/1169158596.db2.gz ZSDQCKLVVHYBJG-CHWSQXEVSA-N -1 1 311.382 0.215 20 30 DCEDMM C#CC[C@@H]1CCN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001602703172 1169165626 /nfs/dbraw/zinc/16/56/26/1169165626.db2.gz LSPCWGYTZUSSTM-SNVBAGLBSA-N -1 1 312.333 0.898 20 30 DCEDMM C#CC[C@@H]1CCN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001602703172 1169165631 /nfs/dbraw/zinc/16/56/31/1169165631.db2.gz LSPCWGYTZUSSTM-SNVBAGLBSA-N -1 1 312.333 0.898 20 30 DCEDMM C#CCN1CCC(OC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001602720752 1169170909 /nfs/dbraw/zinc/17/09/09/1169170909.db2.gz FUNLEOSNDTXGFZ-UHFFFAOYSA-N -1 1 318.329 0.187 20 30 DCEDMM C=CC1CCN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)CC1 ZINC001602807991 1169186511 /nfs/dbraw/zinc/18/65/11/1169186511.db2.gz UUDOFYPFDQCMQF-VIFPVBQESA-N -1 1 302.342 0.444 20 30 DCEDMM C=CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OCC ZINC001602816886 1169187745 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CC(=O)c1cncc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001602980507 1169223578 /nfs/dbraw/zinc/22/35/78/1169223578.db2.gz KSPOULVICLXUAE-UHFFFAOYSA-N -1 1 323.276 0.311 20 30 DCEDMM CC(C)(C)OC(=O)NCCCn1cnc(C#N)c1-c1nn[n-]n1 ZINC001603096859 1169247651 /nfs/dbraw/zinc/24/76/51/1169247651.db2.gz BKHDLUVHPGVTGU-UHFFFAOYSA-N -1 1 318.341 0.850 20 30 DCEDMM CC(C)c1nsc(Cn2cnc(-c3nn[n-]n3)c2C#N)n1 ZINC001603423537 1169307578 /nfs/dbraw/zinc/30/75/78/1169307578.db2.gz HXUDKLTXBBXWRM-UHFFFAOYSA-N -1 1 301.339 0.958 20 30 DCEDMM C[C@]1(C2CC2)CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCO1 ZINC001603797561 1169393214 /nfs/dbraw/zinc/39/32/14/1169393214.db2.gz DSOSDILSZUSPQE-CQSZACIVSA-N -1 1 312.337 0.534 20 30 DCEDMM C[C@]1(C2CC2)CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCO1 ZINC001603797561 1169393224 /nfs/dbraw/zinc/39/32/24/1169393224.db2.gz DSOSDILSZUSPQE-CQSZACIVSA-N -1 1 312.337 0.534 20 30 DCEDMM C[C@H]1CCSCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603911283 1169430971 /nfs/dbraw/zinc/43/09/71/1169430971.db2.gz 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690796994 /nfs/dbraw/zinc/79/69/94/690796994.db2.gz ZGJQTSDOZSJALS-CMPLNLGQSA-N -1 1 316.361 0.914 20 30 DCEDMM CC#CCN1CCC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001008785242 690924945 /nfs/dbraw/zinc/92/49/45/690924945.db2.gz SNYJHQSHGQCLJF-LBPRGKRZSA-N -1 1 313.361 0.240 20 30 DCEDMM C[C@H]1C[C@H](NC(=O)c2ncccc2[O-])CN1C(=O)C#CC1CC1 ZINC001012580227 691818549 /nfs/dbraw/zinc/81/85/49/691818549.db2.gz CRBHVDYHSSZQOU-AAEUAGOBSA-N -1 1 313.357 0.920 20 30 DCEDMM C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001076300746 695012116 /nfs/dbraw/zinc/01/21/16/695012116.db2.gz SWMVJVGLYOZCFX-MEDUHNTESA-N -1 1 321.377 0.739 20 30 DCEDMM C=C1CC(C)(C(=O)NC[C@H]2CCN2Cc2nc(=O)n(C)[n-]2)C1 ZINC001670687539 1157484459 /nfs/dbraw/zinc/48/44/59/1157484459.db2.gz WCFFYVDYMOGXMJ-LLVKDONJSA-N -1 1 305.382 0.155 20 30 DCEDMM COC[C@H](NC(=O)CSc1ccc(C#N)cc1)c1nn[n-]n1 ZINC001455744237 1159760622 /nfs/dbraw/zinc/76/06/22/1159760622.db2.gz ZQCPCTDUJMRFGF-NSHDSACASA-N -1 1 318.362 0.667 20 30 DCEDMM C=C1CCC(C(=O)N[C@H](C)CN(C)Cc2nc(=O)n(C)[n-]2)CC1 ZINC001569135868 1160955747 /nfs/dbraw/zinc/95/57/47/1160955747.db2.gz GLENKSMPCXGZRT-GFCCVEGCSA-N -1 1 321.425 0.791 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC001569207703 1160978200 /nfs/dbraw/zinc/97/82/00/1160978200.db2.gz OIUBYOXVSWGEKV-ZJUUUORDSA-N -1 1 300.336 0.261 20 30 DCEDMM Cc1[n-][nH]c(=O)c1NC(=O)CCNC(=O)C1N=CC=CC1=O ZINC001569836157 1161281471 /nfs/dbraw/zinc/28/14/71/1161281471.db2.gz OQLJFLMJRQLGGB-VAWYXSNFSA-N -1 1 305.294 0.279 20 30 DCEDMM C[C@@](O)(CNc1cnc(-c2nnn[n-]2)c(C#N)n1)c1ccccc1 ZINC001575473315 1164027613 /nfs/dbraw/zinc/02/76/13/1164027613.db2.gz LRVPQGMIMQXLEP-OAHLLOKOSA-N -1 1 322.332 0.848 20 30 DCEDMM C[C@@](O)(CNc1cnc(-c2nn[n-]n2)c(C#N)n1)c1ccccc1 ZINC001575473315 1164027618 /nfs/dbraw/zinc/02/76/18/1164027618.db2.gz LRVPQGMIMQXLEP-OAHLLOKOSA-N -1 1 322.332 0.848 20 30 DCEDMM C[C@H]1CSCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001576377159 1164319763 /nfs/dbraw/zinc/31/97/63/1164319763.db2.gz GDGAKOIZLSNUJR-MRVPVSSYSA-N -1 1 302.367 0.718 20 30 DCEDMM C[C@H]1CSCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001576377159 1164319769 /nfs/dbraw/zinc/31/97/69/1164319769.db2.gz GDGAKOIZLSNUJR-MRVPVSSYSA-N -1 1 302.367 0.718 20 30 DCEDMM CC[C@H](C)NC(=O)CCNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001576654258 1164423867 /nfs/dbraw/zinc/42/38/67/1164423867.db2.gz APILVBYIKXOZFV-QMMMGPOBSA-N -1 1 315.341 0.245 20 30 DCEDMM CC[C@H](C)NC(=O)CCNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001576654258 1164423870 /nfs/dbraw/zinc/42/38/70/1164423870.db2.gz APILVBYIKXOZFV-QMMMGPOBSA-N -1 1 315.341 0.245 20 30 DCEDMM CCNc1cc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)ccn1 ZINC001578239377 1164957745 /nfs/dbraw/zinc/95/77/45/1164957745.db2.gz BJJJPBDPCJZOIW-UHFFFAOYSA-N -1 1 322.336 0.967 20 30 DCEDMM CN(C)c1ccc(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)cn1 ZINC001578998490 1165183154 /nfs/dbraw/zinc/18/31/54/1165183154.db2.gz MQRSQVIWYCEWEM-UHFFFAOYSA-N -1 1 310.325 0.026 20 30 DCEDMM C[S@](=O)[C@H]1CC[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001580172140 1165528621 /nfs/dbraw/zinc/52/86/21/1165528621.db2.gz MFZGNGWVCKLYFL-OPBZGHIISA-N -1 1 318.366 0.240 20 30 DCEDMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N([C@@H](C)C#N)C1CC1 ZINC001580596472 1165649927 /nfs/dbraw/zinc/64/99/27/1165649927.db2.gz UWELZHSNUQGYKV-QMMMGPOBSA-N -1 1 313.321 0.792 20 30 DCEDMM Cc1cccc([C@H](O)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1 ZINC001581232671 1165801970 /nfs/dbraw/zinc/80/19/70/1165801970.db2.gz BKLNCJMOQSFRDK-GFCCVEGCSA-N -1 1 322.332 0.982 20 30 DCEDMM Cc1ccccc1[C@@H](CO)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001581252918 1165806931 /nfs/dbraw/zinc/80/69/31/1165806931.db2.gz FFDRUZUJNIRXCR-GFCCVEGCSA-N -1 1 322.332 0.982 20 30 DCEDMM Cc1ccccc1[C@@H](CO)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001581252918 1165806938 /nfs/dbraw/zinc/80/69/38/1165806938.db2.gz FFDRUZUJNIRXCR-GFCCVEGCSA-N -1 1 322.332 0.982 20 30 DCEDMM Cn1ncc(C2CC2)c1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001581830321 1165883900 /nfs/dbraw/zinc/88/39/00/1165883900.db2.gz QDPAFHMPIQUQGV-UHFFFAOYSA-N -1 1 322.336 0.751 20 30 DCEDMM Cn1ncc(C2CC2)c1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001581830321 1165883905 /nfs/dbraw/zinc/88/39/05/1165883905.db2.gz QDPAFHMPIQUQGV-UHFFFAOYSA-N -1 1 322.336 0.751 20 30 DCEDMM N#Cc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c[nH]1 ZINC001581864794 1165894386 /nfs/dbraw/zinc/89/43/86/1165894386.db2.gz OKXPPDHHOBNJRU-UHFFFAOYSA-N -1 1 300.307 0.453 20 30 DCEDMM N#Cc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c[nH]1 ZINC001581864794 1165894389 /nfs/dbraw/zinc/89/43/89/1165894389.db2.gz OKXPPDHHOBNJRU-UHFFFAOYSA-N -1 1 300.307 0.453 20 30 DCEDMM N#Cc1nc(NC[C@@H]2CCC[C@H](O)C2)cnc1-c1nnn[n-]1 ZINC001581880632 1165898386 /nfs/dbraw/zinc/89/83/86/1165898386.db2.gz QLBYLNLLNHBIDJ-BDAKNGLRSA-N -1 1 300.326 0.491 20 30 DCEDMM N#Cc1nc(NC[C@@H]2CCC[C@H](O)C2)cnc1-c1nn[n-]n1 ZINC001581880632 1165898391 /nfs/dbraw/zinc/89/83/91/1165898391.db2.gz QLBYLNLLNHBIDJ-BDAKNGLRSA-N -1 1 300.326 0.491 20 30 DCEDMM N#Cc1nc(NC[C@@H]2CCC[C@@H](O)C2)cnc1-c1nnn[n-]1 ZINC001581880635 1165898524 /nfs/dbraw/zinc/89/85/24/1165898524.db2.gz QLBYLNLLNHBIDJ-RKDXNWHRSA-N -1 1 300.326 0.491 20 30 DCEDMM N#Cc1nc(NC[C@@H]2CCC[C@@H](O)C2)cnc1-c1nn[n-]n1 ZINC001581880635 1165898529 /nfs/dbraw/zinc/89/85/29/1165898529.db2.gz QLBYLNLLNHBIDJ-RKDXNWHRSA-N -1 1 300.326 0.491 20 30 DCEDMM N#Cc1nc(N[C@@H](CO)C2CCCCC2)cnc1-c1nnn[n-]1 ZINC001581880922 1165899586 /nfs/dbraw/zinc/89/95/86/1165899586.db2.gz ZQORRBZTXQRGCQ-NSHDSACASA-N -1 1 314.353 0.881 20 30 DCEDMM N#Cc1nc(N[C@@H](CO)C2CCCCC2)cnc1-c1nn[n-]n1 ZINC001581880922 1165899595 /nfs/dbraw/zinc/89/95/95/1165899595.db2.gz ZQORRBZTXQRGCQ-NSHDSACASA-N -1 1 314.353 0.881 20 30 DCEDMM N#Cc1nc(NCCn2cnc(-c3nn[n-]n3)n2)sc1Cl ZINC001581880997 1165899901 /nfs/dbraw/zinc/89/99/01/1165899901.db2.gz DNPUJSMENIQTHQ-UHFFFAOYSA-N -1 1 322.745 0.552 20 30 DCEDMM N#Cc1ncc(NC[C@H]2CCC[C@@H](O)C2)nc1-c1nn[n-]n1 ZINC001581884193 1165904212 /nfs/dbraw/zinc/90/42/12/1165904212.db2.gz ONPNEMFVMXMMEF-DTWKUNHWSA-N -1 1 300.326 0.491 20 30 DCEDMM C=C[C@@](C)(O)CC(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC001581980078 1165930246 /nfs/dbraw/zinc/93/02/46/1165930246.db2.gz QZJBHLZHXYOPOU-OAHLLOKOSA-N -1 1 305.334 0.055 20 30 DCEDMM C#C[C@@H](CCC)NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001588327607 1166523048 /nfs/dbraw/zinc/52/30/48/1166523048.db2.gz NBEWLFJYEGUAPU-VIFPVBQESA-N -1 1 306.351 0.342 20 30 DCEDMM C=CCCC(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588564861 1166563308 /nfs/dbraw/zinc/56/33/08/1166563308.db2.gz SLUPYJUBEMTJJS-SNVBAGLBSA-N -1 1 316.369 0.882 20 30 DCEDMM C=CCCC(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588564861 1166563315 /nfs/dbraw/zinc/56/33/15/1166563315.db2.gz SLUPYJUBEMTJJS-SNVBAGLBSA-N -1 1 316.369 0.882 20 30 DCEDMM C=CCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588576615 1166565812 /nfs/dbraw/zinc/56/58/12/1166565812.db2.gz XPFNDAPIQRUIFZ-JTQLQIEISA-N -1 1 314.353 0.318 20 30 DCEDMM C=CCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588576615 1166565817 /nfs/dbraw/zinc/56/58/17/1166565817.db2.gz XPFNDAPIQRUIFZ-JTQLQIEISA-N -1 1 314.353 0.318 20 30 DCEDMM C=CCN1CC[C@H](N(C)Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001588655165 1166573924 /nfs/dbraw/zinc/57/39/24/1166573924.db2.gz XDAJAGLZYDDYLK-JTQLQIEISA-N -1 1 319.394 0.542 20 30 DCEDMM C=CCN1CC[C@H](N(C)Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001588655165 1166573930 /nfs/dbraw/zinc/57/39/30/1166573930.db2.gz XDAJAGLZYDDYLK-JTQLQIEISA-N -1 1 319.394 0.542 20 30 DCEDMM CC#CC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)[O-] ZINC001588738464 1166585367 /nfs/dbraw/zinc/58/53/67/1166585367.db2.gz OUQCGOCGOXHMDD-GFCCVEGCSA-N -1 1 303.297 0.962 20 30 DCEDMM C[C@H](C#N)CN(C)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588930663 1166619116 /nfs/dbraw/zinc/61/91/16/1166619116.db2.gz DVDVOAVKOJULEF-SSDOTTSWSA-N -1 1 302.298 0.953 20 30 DCEDMM C[C@H](C#N)CN(C)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001588930663 1166619119 /nfs/dbraw/zinc/61/91/19/1166619119.db2.gz DVDVOAVKOJULEF-SSDOTTSWSA-N -1 1 302.298 0.953 20 30 DCEDMM C[C@H](C(=O)OCc1ccc(C#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589031219 1166630782 /nfs/dbraw/zinc/63/07/82/1166630782.db2.gz WAHFWRFNNAECHP-SECBINFHSA-N -1 1 324.304 0.634 20 30 DCEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)[C@H]1CCCOC1 ZINC001589986294 1166738827 /nfs/dbraw/zinc/73/88/27/1166738827.db2.gz CRIQAQRMLCHHGX-BDAKNGLRSA-N -1 1 300.326 0.755 20 30 DCEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)[C@H]1CCCOC1 ZINC001589986294 1166738831 /nfs/dbraw/zinc/73/88/31/1166738831.db2.gz CRIQAQRMLCHHGX-BDAKNGLRSA-N -1 1 300.326 0.755 20 30 DCEDMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)c2ncnn21 ZINC001590208268 1166815565 /nfs/dbraw/zinc/81/55/65/1166815565.db2.gz DWKIEFIMDWVIBE-RNFRBKRXSA-N -1 1 309.297 0.238 20 30 DCEDMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)c2ncnn21 ZINC001590208268 1166815572 /nfs/dbraw/zinc/81/55/72/1166815572.db2.gz DWKIEFIMDWVIBE-RNFRBKRXSA-N -1 1 309.297 0.238 20 30 DCEDMM CC[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)C(OC)OC ZINC001590472253 1166918092 /nfs/dbraw/zinc/91/80/92/1166918092.db2.gz COBSATVVNKXGMJ-SSDOTTSWSA-N -1 1 304.314 0.338 20 30 DCEDMM CC[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)C(OC)OC ZINC001590472253 1166918097 /nfs/dbraw/zinc/91/80/97/1166918097.db2.gz COBSATVVNKXGMJ-SSDOTTSWSA-N -1 1 304.314 0.338 20 30 DCEDMM CCN(C[C@H](C)C#N)C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001590682104 1166972379 /nfs/dbraw/zinc/97/23/79/1166972379.db2.gz BGLBHJLUNINHOV-SNVBAGLBSA-N -1 1 315.337 0.037 20 30 DCEDMM CO[C@](C)(C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)C1CC1 ZINC001591314144 1167209576 /nfs/dbraw/zinc/20/95/76/1167209576.db2.gz HTOTWRGHVDEWDM-LBPRGKRZSA-N -1 1 302.298 0.215 20 30 DCEDMM CO[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C1(C)C ZINC001591350768 1167227880 /nfs/dbraw/zinc/22/78/80/1167227880.db2.gz VURQIHFWJUPUMR-RKDXNWHRSA-N -1 1 300.326 0.754 20 30 DCEDMM CO[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C1(C)C ZINC001591350768 1167227885 /nfs/dbraw/zinc/22/78/85/1167227885.db2.gz VURQIHFWJUPUMR-RKDXNWHRSA-N -1 1 300.326 0.754 20 30 DCEDMM Cc1cccc(OCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001592237187 1167478389 /nfs/dbraw/zinc/47/83/89/1167478389.db2.gz QJYLVVCGGVJFQM-UHFFFAOYSA-N -1 1 324.304 0.787 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1nnsc1Cl ZINC001592335460 1167491195 /nfs/dbraw/zinc/49/11/95/1167491195.db2.gz DQKPMSLFRPJBHG-UHFFFAOYSA-N -1 1 307.730 0.797 20 30 DCEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cscc2C#N)n1 ZINC001592560142 1167561381 /nfs/dbraw/zinc/56/13/81/1167561381.db2.gz NPXDYDFOHSFEQQ-UHFFFAOYSA-N -1 1 300.307 0.786 20 30 DCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cscc2C#N)n1 ZINC001592560142 1167561388 /nfs/dbraw/zinc/56/13/88/1167561388.db2.gz NPXDYDFOHSFEQQ-UHFFFAOYSA-N -1 1 300.307 0.786 20 30 DCEDMM N#C[C@@]1(F)CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001592670567 1167593627 /nfs/dbraw/zinc/59/36/27/1167593627.db2.gz GIKDXOHEFICZAI-ZDUSSCGKSA-N -1 1 300.301 0.976 20 30 DCEDMM 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1165895928 /nfs/dbraw/zinc/89/59/28/1165895928.db2.gz WXSVQAABAXAWNY-UHFFFAOYSA-N -1 1 319.332 0.829 20 30 DCEDMM N#Cc1cccc(NC2CN(c3cc(-c4nn[n-]n4)ncn3)C2)c1 ZINC001581875911 1165895937 /nfs/dbraw/zinc/89/59/37/1165895937.db2.gz WXSVQAABAXAWNY-UHFFFAOYSA-N -1 1 319.332 0.829 20 30 DCEDMM N#Cc1ncc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)nc1-c1nn[n-]n1 ZINC001581883320 1165902647 /nfs/dbraw/zinc/90/26/47/1165902647.db2.gz WGTPDWSHQSQJLK-BZHVJNSISA-N -1 1 324.348 0.898 20 30 DCEDMM C#C[C@H](C)N(C)c1nnc(-c2ccnc(-c3nnn[n-]3)c2)n1C ZINC001588326901 1166523690 /nfs/dbraw/zinc/52/36/90/1166523690.db2.gz XTYXQPWMJOSTFA-VIFPVBQESA-N -1 1 309.337 0.515 20 30 DCEDMM C#C[C@H](C)N(C)c1nnc(-c2ccnc(-c3nn[n-]n3)c2)n1C ZINC001588326901 1166523696 /nfs/dbraw/zinc/52/36/96/1166523696.db2.gz XTYXQPWMJOSTFA-VIFPVBQESA-N -1 1 309.337 0.515 20 30 DCEDMM C#C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccccc1 ZINC001588329172 1166524503 /nfs/dbraw/zinc/52/45/03/1166524503.db2.gz ZIZWFSBVXDUIFB-SNVBAGLBSA-N -1 1 323.316 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C=CCOCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001571759600 1162926350 /nfs/dbraw/zinc/92/63/50/1162926350.db2.gz AHMBLMRVBYTPFH-GHMZBOCLSA-N -1 1 307.350 0.613 20 30 DCEDMM C=C(C)CCC(=O)N(C)C1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001566610096 1160093147 /nfs/dbraw/zinc/09/31/47/1160093147.db2.gz ZPIUFOBNLAPTIN-UHFFFAOYSA-N -1 1 321.425 0.888 20 30 DCEDMM C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1Cc1nc(=O)n(C)[n-]1 ZINC001566924951 1160187362 /nfs/dbraw/zinc/18/73/62/1160187362.db2.gz YBSMEBYMTWZJFB-LBPRGKRZSA-N -1 1 321.425 0.791 20 30 DCEDMM C#CCCCC(=O)NCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001575084596 1163886382 /nfs/dbraw/zinc/88/63/82/1163886382.db2.gz ZZZVCBBOPKAXLA-UHFFFAOYSA-N -1 1 316.361 0.709 20 30 DCEDMM C[C@H](O)C[C@H]1CCCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001575479337 1164029691 /nfs/dbraw/zinc/02/96/91/1164029691.db2.gz ABOLESRMFGDDDV-VHSXEESVSA-N -1 1 314.353 0.658 20 30 DCEDMM CC[C@@]1(CO)CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001577113788 1164606908 /nfs/dbraw/zinc/60/69/08/1164606908.db2.gz FKEPFWQUFUGXKC-CQSZACIVSA-N -1 1 314.353 0.517 20 30 DCEDMM CCc1nc(C)ncc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001578617460 1165069803 /nfs/dbraw/zinc/06/98/03/1165069803.db2.gz XKLDYJSNKHMYOF-UHFFFAOYSA-N -1 1 324.308 0.375 20 30 DCEDMM CN(Cc1ccc(N)nc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579253276 1165252391 /nfs/dbraw/zinc/25/23/91/1165252391.db2.gz KTYUTXGODJZKNQ-UHFFFAOYSA-N -1 1 308.309 0.142 20 30 DCEDMM CN(Cc1ccc(N)nc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579253276 1165252399 /nfs/dbraw/zinc/25/23/99/1165252399.db2.gz KTYUTXGODJZKNQ-UHFFFAOYSA-N -1 1 308.309 0.142 20 30 DCEDMM CO[C@@H]1[C@H]2C[C@H]3CN(c4cnc(-c5nnn[n-]5)c(C#N)n4)[C@H]1[C@H]3C2 ZINC001579602704 1165356972 /nfs/dbraw/zinc/35/69/72/1165356972.db2.gz RZADPJBFSCLKNN-CZKZMCHXSA-N -1 1 324.348 0.388 20 30 DCEDMM CO[C@@H]1[C@H]2C[C@H]3CN(c4cnc(-c5nn[n-]n5)c(C#N)n4)[C@H]1[C@H]3C2 ZINC001579602704 1165356983 /nfs/dbraw/zinc/35/69/83/1165356983.db2.gz RZADPJBFSCLKNN-CZKZMCHXSA-N -1 1 324.348 0.388 20 30 DCEDMM CO[C@H]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)[C@H](C)C1 ZINC001579620130 1165360628 /nfs/dbraw/zinc/36/06/28/1165360628.db2.gz YYAPZKHSZPEFPU-BDAKNGLRSA-N -1 1 300.326 0.532 20 30 DCEDMM CO[C@H]1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)[C@H](C)C1 ZINC001579620130 1165360638 /nfs/dbraw/zinc/36/06/38/1165360638.db2.gz YYAPZKHSZPEFPU-BDAKNGLRSA-N -1 1 300.326 0.532 20 30 DCEDMM Cc1cccc([C@@H](O)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001581232961 1165803030 /nfs/dbraw/zinc/80/30/30/1165803030.db2.gz HKJXVUSPBJLFAY-LBPRGKRZSA-N -1 1 322.332 0.982 20 30 DCEDMM Cc1cccc([C@@H](O)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001581232961 1165803036 /nfs/dbraw/zinc/80/30/36/1165803036.db2.gz HKJXVUSPBJLFAY-LBPRGKRZSA-N -1 1 322.332 0.982 20 30 DCEDMM Cc1ccccc1[C@H](O)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001581252806 1165807060 /nfs/dbraw/zinc/80/70/60/1165807060.db2.gz AXBSTNFCKCYEQW-GFCCVEGCSA-N -1 1 322.332 0.982 20 30 DCEDMM Cn1ncc(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)c1C1CC1 ZINC001581834270 1165885986 /nfs/dbraw/zinc/88/59/86/1165885986.db2.gz ZTABPAXRVVYRFX-UHFFFAOYSA-N -1 1 308.309 0.883 20 30 DCEDMM N#Cc1[n-]c(NC(=O)c2ncc3n2CCCC3)nc1-c1nn[nH]n1 ZINC001581860580 1165892902 /nfs/dbraw/zinc/89/29/02/1165892902.db2.gz IDIVABGFHGRUQO-UHFFFAOYSA-N -1 1 324.308 0.247 20 30 DCEDMM N#Cc1[n-]c(NC(=O)[C@H]2Cc3cccnc3C2)nc1-c1nn[nH]n1 ZINC001581860088 1165893110 /nfs/dbraw/zinc/89/31/10/1165893110.db2.gz KGBVTGHLLQTWJK-QMMMGPOBSA-N -1 1 321.304 0.210 20 30 DCEDMM N#Cc1cc(F)cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC001581866802 1165894661 /nfs/dbraw/zinc/89/46/61/1165894661.db2.gz VSDNDRGPZKEFBZ-UHFFFAOYSA-N -1 1 313.256 0.108 20 30 DCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CCOCc1ccccc1 ZINC001581860796 1165895403 /nfs/dbraw/zinc/89/54/03/1165895403.db2.gz TZEZCCGPMXJZPH-UHFFFAOYSA-N -1 1 310.321 0.734 20 30 DCEDMM N#Cc1ncc(N[C@@H]2CCC[C@H]2CCO)nc1-c1nn[n-]n1 ZINC001581882516 1165901278 /nfs/dbraw/zinc/90/12/78/1165901278.db2.gz BTBSKEQFVYQAAF-DTWKUNHWSA-N -1 1 300.326 0.491 20 30 DCEDMM N#Cc1ncc(NC[C@@H](CO)c2ccccc2)nc1-c1nn[n-]n1 ZINC001581883288 1165902257 /nfs/dbraw/zinc/90/22/57/1165902257.db2.gz UYDPPBQXAVXJLE-NSHDSACASA-N -1 1 322.332 0.716 20 30 DCEDMM Cc1cc(=O)n2[n-]c(NC(=O)c3cscc3C#N)nc2n1 ZINC001584142645 1166311891 /nfs/dbraw/zinc/31/18/91/1166311891.db2.gz SUMJMAWEUMGEQF-UHFFFAOYSA-N -1 1 300.303 0.912 20 30 DCEDMM C#CCCN(CCOC)C(=O)CNC(=O)c1ncccc1[O-] ZINC001585573629 1166443789 /nfs/dbraw/zinc/44/37/89/1166443789.db2.gz HKQFBZSMNNPZNJ-UHFFFAOYSA-N -1 1 305.334 0.015 20 30 DCEDMM C#C[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)C1CCOCC1 ZINC001588329089 1166523616 /nfs/dbraw/zinc/52/36/16/1166523616.db2.gz XLCDEXLSUKGQKL-JTQLQIEISA-N -1 1 310.321 0.369 20 30 DCEDMM C#C[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)C1CCOCC1 ZINC001588329089 1166523628 /nfs/dbraw/zinc/52/36/28/1166523628.db2.gz XLCDEXLSUKGQKL-JTQLQIEISA-N -1 1 310.321 0.369 20 30 DCEDMM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1nccs1 ZINC001588348993 1166538084 /nfs/dbraw/zinc/53/80/84/1166538084.db2.gz XPIREXARTYVJSC-UHFFFAOYSA-N -1 1 311.330 0.998 20 30 DCEDMM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1nccs1 ZINC001588348993 1166538088 /nfs/dbraw/zinc/53/80/88/1166538088.db2.gz XPIREXARTYVJSC-UHFFFAOYSA-N -1 1 311.330 0.998 20 30 DCEDMM C#CCN(CC1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001588350721 1166541186 /nfs/dbraw/zinc/54/11/86/1166541186.db2.gz MYSCKMGBLNGIMH-UHFFFAOYSA-N -1 1 318.362 0.296 20 30 DCEDMM C#CCN(CC1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001588350721 1166541192 /nfs/dbraw/zinc/54/11/92/1166541192.db2.gz MYSCKMGBLNGIMH-UHFFFAOYSA-N -1 1 318.362 0.296 20 30 DCEDMM C#CCNC(=O)[C@@H](C)OC(=O)c1ccsc1-c1nnn[n-]1 ZINC001588353398 1166544072 /nfs/dbraw/zinc/54/40/72/1166544072.db2.gz QIUQTJIHQQYAEN-SSDOTTSWSA-N -1 1 305.319 0.223 20 30 DCEDMM C#CCNC(=O)[C@@H](C)OC(=O)c1ccsc1-c1nn[n-]n1 ZINC001588353398 1166544081 /nfs/dbraw/zinc/54/40/81/1166544081.db2.gz QIUQTJIHQQYAEN-SSDOTTSWSA-N -1 1 305.319 0.223 20 30 DCEDMM C#Cc1cccc(NC(=O)CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001588375303 1166548974 /nfs/dbraw/zinc/54/89/74/1166548974.db2.gz OKDCSBGCRUMLQV-UHFFFAOYSA-N -1 1 319.328 0.716 20 30 DCEDMM C#Cc1cccc(NC(=O)CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001588375303 1166548982 /nfs/dbraw/zinc/54/89/82/1166548982.db2.gz OKDCSBGCRUMLQV-UHFFFAOYSA-N -1 1 319.328 0.716 20 30 DCEDMM C=C(C)CN(CC)C(=O)Cn1cc(C)cc(-c2nn[n-]n2)c1=O ZINC001588426518 1166554369 /nfs/dbraw/zinc/55/43/69/1166554369.db2.gz XOECTYSXBPYHAL-UHFFFAOYSA-N -1 1 316.365 0.761 20 30 DCEDMM C#CCN1CCC(NC(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001588477253 1166557632 /nfs/dbraw/zinc/55/76/32/1166557632.db2.gz XBIJUXGRIATUKM-UHFFFAOYSA-N -1 1 316.357 0.977 20 30 DCEDMM C=CC(C)(C)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001588475465 1166558135 /nfs/dbraw/zinc/55/81/35/1166558135.db2.gz OXBNEAKVSRTUIY-VIFPVBQESA-N -1 1 316.369 0.786 20 30 DCEDMM C=CC(C)(C)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001588475465 1166558144 /nfs/dbraw/zinc/55/81/44/1166558144.db2.gz OXBNEAKVSRTUIY-VIFPVBQESA-N -1 1 316.369 0.786 20 30 DCEDMM C=C[C@H](COC)NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588525584 1166559379 /nfs/dbraw/zinc/55/93/79/1166559379.db2.gz IVFPIGZGTHHFQV-SSDOTTSWSA-N -1 1 309.355 0.954 20 30 DCEDMM C=C[C@H](COC)NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588525584 1166559387 /nfs/dbraw/zinc/55/93/87/1166559387.db2.gz IVFPIGZGTHHFQV-SSDOTTSWSA-N -1 1 309.355 0.954 20 30 DCEDMM C=CC[C@H](CO)CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588544762 1166561081 /nfs/dbraw/zinc/56/10/81/1166561081.db2.gz SEOAOJWIOLVLHU-QMMMGPOBSA-N -1 1 323.382 0.307 20 30 DCEDMM C=CC[C@H](CO)CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001588544762 1166561085 /nfs/dbraw/zinc/56/10/85/1166561085.db2.gz SEOAOJWIOLVLHU-QMMMGPOBSA-N -1 1 323.382 0.307 20 30 DCEDMM C=CCC[C@@H](CO)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001588577839 1166564332 /nfs/dbraw/zinc/56/43/32/1166564332.db2.gz OXSQSINVBRWDAN-JTQLQIEISA-N -1 1 303.326 0.710 20 30 DCEDMM C=CCC[C@@H](CO)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001588577839 1166564338 /nfs/dbraw/zinc/56/43/38/1166564338.db2.gz OXSQSINVBRWDAN-JTQLQIEISA-N -1 1 303.326 0.710 20 30 DCEDMM C=CCCn1cc(CNc2nc(C)cc(-c3nnn[n-]3)n2)nn1 ZINC001588625735 1166569962 /nfs/dbraw/zinc/56/99/62/1166569962.db2.gz OIXDWEQDAWNRNJ-UHFFFAOYSA-N -1 1 312.341 0.745 20 30 DCEDMM C=CCCn1cc(CNc2nc(C)cc(-c3nn[n-]n3)n2)nn1 ZINC001588625735 1166569976 /nfs/dbraw/zinc/56/99/76/1166569976.db2.gz OIXDWEQDAWNRNJ-UHFFFAOYSA-N -1 1 312.341 0.745 20 30 DCEDMM C=CCNC(=O)[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588659501 1166575553 /nfs/dbraw/zinc/57/55/53/1166575553.db2.gz NLXWZCOOCHWLGA-VIFPVBQESA-N -1 1 316.321 0.038 20 30 DCEDMM C=CCNC(=O)[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588659501 1166575558 /nfs/dbraw/zinc/57/55/58/1166575558.db2.gz NLXWZCOOCHWLGA-VIFPVBQESA-N -1 1 316.321 0.038 20 30 DCEDMM C=CCOCCCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001588681424 1166580152 /nfs/dbraw/zinc/58/01/52/1166580152.db2.gz BVMMIWHCLHCMCM-UHFFFAOYSA-N -1 1 302.338 0.861 20 30 DCEDMM C=CCOCCCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001588681424 1166580155 /nfs/dbraw/zinc/58/01/55/1166580155.db2.gz BVMMIWHCLHCMCM-UHFFFAOYSA-N -1 1 302.338 0.861 20 30 DCEDMM C[C@H](C(=O)N(CCC#N)CC1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943678 1166622598 /nfs/dbraw/zinc/62/25/98/1166622598.db2.gz YTXFPOBSQAKLLQ-SECBINFHSA-N -1 1 315.341 0.171 20 30 DCEDMM CC(C)(CC#N)CNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001589267194 1166642642 /nfs/dbraw/zinc/64/26/42/1166642642.db2.gz KPUGHWPLBGTUJF-UHFFFAOYSA-N -1 1 321.366 0.480 20 30 DCEDMM CC(C)C#CC(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001589389751 1166655188 /nfs/dbraw/zinc/65/51/88/1166655188.db2.gz LNLGSKFPOLXYKQ-SNVBAGLBSA-N -1 1 314.353 0.233 20 30 DCEDMM CC(C)C#CC(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001589389751 1166655193 /nfs/dbraw/zinc/65/51/93/1166655193.db2.gz LNLGSKFPOLXYKQ-SNVBAGLBSA-N -1 1 314.353 0.233 20 30 DCEDMM C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589787798 1166689168 /nfs/dbraw/zinc/68/91/68/1166689168.db2.gz POPLJUNQIOIZKJ-SSDOTTSWSA-N -1 1 312.380 0.851 20 30 DCEDMM C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589787798 1166689175 /nfs/dbraw/zinc/68/91/75/1166689175.db2.gz POPLJUNQIOIZKJ-SSDOTTSWSA-N -1 1 312.380 0.851 20 30 DCEDMM C[C@@H](O)[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001589995089 1166740187 /nfs/dbraw/zinc/74/01/87/1166740187.db2.gz JIYAOAGZBDFPMT-RKDXNWHRSA-N -1 1 300.326 0.126 20 30 DCEDMM C[C@H](O)[C@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001589995088 1166740924 /nfs/dbraw/zinc/74/09/24/1166740924.db2.gz JIYAOAGZBDFPMT-IUCAKERBSA-N -1 1 300.326 0.126 20 30 DCEDMM C[C@H]1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)c(C#N)n2)O1 ZINC001590241932 1166823556 /nfs/dbraw/zinc/82/35/56/1166823556.db2.gz IWDNITZRCKKWKA-IUCAKERBSA-N -1 1 300.326 0.898 20 30 DCEDMM C[C@H]1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)c(C#N)n2)O1 ZINC001590241932 1166823562 /nfs/dbraw/zinc/82/35/62/1166823562.db2.gz IWDNITZRCKKWKA-IUCAKERBSA-N -1 1 300.326 0.898 20 30 DCEDMM CCN(Cc1cnc2c(-c3nnn[n-]3)cnn2c1)C[C@H](C)C#N ZINC001590721042 1166984757 /nfs/dbraw/zinc/98/47/57/1166984757.db2.gz GAIRTZCCVIGJGN-SNVBAGLBSA-N -1 1 311.353 0.891 20 30 DCEDMM CCN(Cc1cnc2c(-c3nn[n-]n3)cnn2c1)C[C@H](C)C#N ZINC001590721042 1166984764 /nfs/dbraw/zinc/98/47/64/1166984764.db2.gz GAIRTZCCVIGJGN-SNVBAGLBSA-N -1 1 311.353 0.891 20 30 DCEDMM CCO[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)[C@@H]1OC ZINC001590790504 1167020908 /nfs/dbraw/zinc/02/09/08/1167020908.db2.gz IIYUHCPFOHHDRS-GMEUVTARSA-N -1 1 316.325 0.133 20 30 DCEDMM CCO[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)[C@@H]1OC ZINC001590790504 1167020916 /nfs/dbraw/zinc/02/09/16/1167020916.db2.gz IIYUHCPFOHHDRS-GMEUVTARSA-N -1 1 316.325 0.133 20 30 DCEDMM CN(CCCc1[nH]nc(N)c1C#N)c1cccnc1-c1nnn[n-]1 ZINC001591090307 1167103108 /nfs/dbraw/zinc/10/31/08/1167103108.db2.gz CJQOQLJOLOZAEF-UHFFFAOYSA-N -1 1 324.352 0.508 20 30 DCEDMM CN(CCCc1[nH]nc(N)c1C#N)c1cccnc1-c1nn[n-]n1 ZINC001591090307 1167103113 /nfs/dbraw/zinc/10/31/13/1167103113.db2.gz CJQOQLJOLOZAEF-UHFFFAOYSA-N -1 1 324.352 0.508 20 30 DCEDMM CN(CCOC(C)(C)C)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001591108454 1167106195 /nfs/dbraw/zinc/10/61/95/1167106195.db2.gz OJAAYWAUZBTHPM-UHFFFAOYSA-N -1 1 302.342 0.780 20 30 DCEDMM CN(CCOC(C)(C)C)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001591108454 1167106200 /nfs/dbraw/zinc/10/62/00/1167106200.db2.gz OJAAYWAUZBTHPM-UHFFFAOYSA-N -1 1 302.342 0.780 20 30 DCEDMM COC(=O)C1(Cn2cnc(C#N)c2-c2nn[n-]n2)CCCC1 ZINC001591242604 1167172752 /nfs/dbraw/zinc/17/27/52/1167172752.db2.gz RTKSYGPEQZFSQF-UHFFFAOYSA-N -1 1 301.310 0.668 20 30 DCEDMM COC1(CN=Nc2oc(C)nc2-c2nn[n-]n2)CCOCC1 ZINC001591340305 1167221672 /nfs/dbraw/zinc/22/16/72/1167221672.db2.gz NJRPWEGQBFFYNL-UHFFFAOYSA-N -1 1 307.314 0.756 20 30 DCEDMM COc1cccc(C(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)n1 ZINC001591631985 1167342103 /nfs/dbraw/zinc/34/21/03/1167342103.db2.gz PLXQOVULSZMJLN-UHFFFAOYSA-N -1 1 310.277 0.221 20 30 DCEDMM COc1ncc(NC(=O)NC[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC001591664521 1167343547 /nfs/dbraw/zinc/34/35/47/1167343547.db2.gz LWJDCJLKTJKTEW-ZETCQYMHSA-N -1 1 302.298 0.551 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)N1CCCC[C@H]1C ZINC001592335400 1167490201 /nfs/dbraw/zinc/49/02/01/1167490201.db2.gz QWKQVWUUWNEVLR-SECBINFHSA-N -1 1 314.353 0.644 20 30 DCEDMM N#Cc1cccc(NC(=O)CN[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC001601120775 1168587312 /nfs/dbraw/zinc/58/73/12/1168587312.db2.gz LOMVGEFZQPPQLZ-OAHLLOKOSA-N -1 1 303.318 0.720 20 30 DCEDMM N#Cc1cncc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001601131188 1168591476 /nfs/dbraw/zinc/59/14/76/1168591476.db2.gz RWRCKUGGVVPERV-MRXNPFEDSA-N -1 1 316.361 0.315 20 30 DCEDMM C#CC[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)C ZINC001602696577 1169162473 /nfs/dbraw/zinc/16/24/73/1169162473.db2.gz CIPMUOUQACBWEY-NXEZZACHSA-N -1 1 303.326 0.610 20 30 DCEDMM C#CC[C@@H](COC)Nc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001602697980 1169164653 /nfs/dbraw/zinc/16/46/53/1169164653.db2.gz WOEQJWUKEFINPG-VIFPVBQESA-N -1 1 316.321 0.499 20 30 DCEDMM C#CC[C@@H](COC)Nc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001602697980 1169164659 /nfs/dbraw/zinc/16/46/59/1169164659.db2.gz WOEQJWUKEFINPG-VIFPVBQESA-N -1 1 316.321 0.499 20 30 DCEDMM C#Cc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001602741588 1169176660 /nfs/dbraw/zinc/17/66/60/1169176660.db2.gz PMPKRVBEPDLMTC-UHFFFAOYSA-N -1 1 322.332 0.903 20 30 DCEDMM C#Cc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001602741588 1169176668 /nfs/dbraw/zinc/17/66/68/1169176668.db2.gz PMPKRVBEPDLMTC-UHFFFAOYSA-N -1 1 322.332 0.903 20 30 DCEDMM C=CCCC(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001602826406 1169189888 /nfs/dbraw/zinc/18/98/88/1169189888.db2.gz GJRSLRLVUWUSPE-JTQLQIEISA-N -1 1 316.369 0.787 20 30 DCEDMM C=CCCC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001602826406 1169189892 /nfs/dbraw/zinc/18/98/92/1169189892.db2.gz GJRSLRLVUWUSPE-JTQLQIEISA-N -1 1 316.369 0.787 20 30 DCEDMM C=CCN(CC=C)C(=O)Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001602850913 1169192938 /nfs/dbraw/zinc/19/29/38/1169192938.db2.gz ZSFGBEKCHHZJQR-UHFFFAOYSA-N -1 1 312.337 0.444 20 30 DCEDMM C=CCOc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001602871830 1169195494 /nfs/dbraw/zinc/19/54/94/1169195494.db2.gz YPUKXYCZRHJPTL-UHFFFAOYSA-N -1 1 311.305 0.899 20 30 DCEDMM C=CCO[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001602866741 1169196121 /nfs/dbraw/zinc/19/61/21/1169196121.db2.gz KLPOFSPSPBCDQM-NSHDSACASA-N -1 1 300.322 0.679 20 30 DCEDMM C=CCO[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001602866741 1169196127 /nfs/dbraw/zinc/19/61/27/1169196127.db2.gz KLPOFSPSPBCDQM-NSHDSACASA-N -1 1 300.322 0.679 20 30 DCEDMM C=CCO[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001602866740 1169197103 /nfs/dbraw/zinc/19/71/03/1169197103.db2.gz KLPOFSPSPBCDQM-LLVKDONJSA-N -1 1 300.322 0.679 20 30 DCEDMM C=CCO[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001602866740 1169197106 /nfs/dbraw/zinc/19/71/06/1169197106.db2.gz KLPOFSPSPBCDQM-LLVKDONJSA-N -1 1 300.322 0.679 20 30 DCEDMM C=CCOC[C@@H](NS(=O)(=O)c1cc(O)cc(F)c1)C(=O)[O-] ZINC001602915124 1169204566 /nfs/dbraw/zinc/20/45/66/1169204566.db2.gz PUOLMWQHIFYTFW-LLVKDONJSA-N -1 1 319.310 0.465 20 30 DCEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(CC(=O)[O-])CC1 ZINC001603154106 1169259224 /nfs/dbraw/zinc/25/92/24/1169259224.db2.gz XUAPNHRPBQMQEH-WFASDCNBSA-N -1 1 310.398 0.132 20 30 DCEDMM CC(C)C#CC(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001603189437 1169269764 /nfs/dbraw/zinc/26/97/64/1169269764.db2.gz LOUZQXHRNXSTJU-JTQLQIEISA-N -1 1 314.353 0.233 20 30 DCEDMM CC(C)C#CC(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001603189437 1169269771 /nfs/dbraw/zinc/26/97/71/1169269771.db2.gz LOUZQXHRNXSTJU-JTQLQIEISA-N -1 1 314.353 0.233 20 30 DCEDMM CC1(C)CO[C@@H](CNc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001603790993 1169392078 /nfs/dbraw/zinc/39/20/78/1169392078.db2.gz AFQGFFTWOMIVMW-MRVPVSSYSA-N -1 1 300.326 0.755 20 30 DCEDMM COC1(CCNc2cnc(C#N)c(-c3nn[n-]n3)n2)CCC1 ZINC001605016752 1169781175 /nfs/dbraw/zinc/78/11/75/1169781175.db2.gz YSLPLRNNZBVILS-UHFFFAOYSA-N -1 1 300.326 0.899 20 30 DCEDMM Cc1c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cnn1CCC#N ZINC001605480937 1169934596 /nfs/dbraw/zinc/93/45/96/1169934596.db2.gz XDPYTMDGWWKSLV-UHFFFAOYSA-N -1 1 312.297 0.261 20 30 DCEDMM Cc1c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cnn1CCC#N ZINC001605480937 1169934603 /nfs/dbraw/zinc/93/46/03/1169934603.db2.gz XDPYTMDGWWKSLV-UHFFFAOYSA-N -1 1 312.297 0.261 20 30 DCEDMM CN1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@@H](C(=O)[O-])C1 ZINC001606228442 1170127137 /nfs/dbraw/zinc/12/71/37/1170127137.db2.gz IQKBQEBFNGLJRL-LRDDRELGSA-N -1 1 305.378 0.935 20 30 DCEDMM N#Cc1[n-]c(NC(=O)C[C@H]2CCCOC2)nc1-c1nn[nH]n1 ZINC001606354479 1170167726 /nfs/dbraw/zinc/16/77/26/1170167726.db2.gz JGSYVUGZQUGSHS-SSDOTTSWSA-N -1 1 302.298 0.217 20 30 DCEDMM COC(=O)[C@@H]1[C@H](CN2CCC(C#N)(C(=O)[O-])CC2)C1(F)F ZINC001606371389 1170172565 /nfs/dbraw/zinc/17/25/65/1170172565.db2.gz NZKHIGZBSWIRES-IUCAKERBSA-N -1 1 302.277 0.731 20 30 DCEDMM N#Cc1ccccc1OCC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606385417 1170176748 /nfs/dbraw/zinc/17/67/48/1170176748.db2.gz WTDDSHTUAXYGRC-UHFFFAOYSA-N -1 1 310.277 0.479 20 30 DCEDMM N#Cc1nc(N2CC[C@H]([C@@H]3CCCO3)C2)cnc1-c1nnn[n-]1 ZINC001606389680 1170179118 /nfs/dbraw/zinc/17/91/18/1170179118.db2.gz RDXGBXNXPDEGCD-ONGXEEELSA-N -1 1 312.337 0.534 20 30 DCEDMM N#Cc1nc(N2CC[C@H]([C@@H]3CCCO3)C2)cnc1-c1nn[n-]n1 ZINC001606389680 1170179124 /nfs/dbraw/zinc/17/91/24/1170179124.db2.gz RDXGBXNXPDEGCD-ONGXEEELSA-N -1 1 312.337 0.534 20 30 DCEDMM N#Cc1nc(N2CC[C@@H](n3cccn3)C2)cnc1-c1nnn[n-]1 ZINC001606389577 1170179470 /nfs/dbraw/zinc/17/94/70/1170179470.db2.gz QJBCTDDRPHCDRC-SECBINFHSA-N -1 1 308.309 0.176 20 30 DCEDMM N#Cc1nc(N2CC[C@@H](n3cccn3)C2)cnc1-c1nn[n-]n1 ZINC001606389577 1170179473 /nfs/dbraw/zinc/17/94/73/1170179473.db2.gz QJBCTDDRPHCDRC-SECBINFHSA-N -1 1 308.309 0.176 20 30 DCEDMM N#Cc1nc(N[C@@H](CO)c2ccccc2)cnc1-c1nnn[n-]1 ZINC001606393392 1170180791 /nfs/dbraw/zinc/18/07/91/1170180791.db2.gz UUGNAYDUQMBIHT-NSHDSACASA-N -1 1 308.305 0.674 20 30 DCEDMM N#Cc1nc(N[C@@H](CO)c2ccccc2)cnc1-c1nn[n-]n1 ZINC001606393392 1170180795 /nfs/dbraw/zinc/18/07/95/1170180795.db2.gz UUGNAYDUQMBIHT-NSHDSACASA-N -1 1 308.305 0.674 20 30 DCEDMM N#CC1(C(=O)[O-])CCN(S(=O)(=O)c2ccccc2O)CC1 ZINC001608174260 1170609618 /nfs/dbraw/zinc/60/96/18/1170609618.db2.gz JNVAUPRMRQQLAJ-UHFFFAOYSA-N -1 1 310.331 0.771 20 30 DCEDMM N#Cc1c(F)cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1F ZINC001608192539 1170613495 /nfs/dbraw/zinc/61/34/95/1170613495.db2.gz RVCVIOFZQMZVRA-LBPRGKRZSA-N -1 1 320.255 0.985 20 30 DCEDMM N#Cc1c(CN2C[C@H](CO)[C@H](CCO)C2)cccc1C(=O)[O-] ZINC001608191924 1170614162 /nfs/dbraw/zinc/61/41/62/1170614162.db2.gz RCCKBYJOOUWGAG-DGCLKSJQSA-N -1 1 304.346 0.679 20 30 DCEDMM C=CCn1nnnc1Sc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609059297 1170795939 /nfs/dbraw/zinc/79/59/39/1170795939.db2.gz DZSARQLZFNSRBM-UHFFFAOYSA-N -1 1 302.327 0.289 20 30 DCEDMM C=CCn1nnnc1Sc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609059297 1170795941 /nfs/dbraw/zinc/79/59/41/1170795941.db2.gz DZSARQLZFNSRBM-UHFFFAOYSA-N -1 1 302.327 0.289 20 30 DCEDMM C[C@@H](Oc1ccccc1C#N)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001609136200 1170823164 /nfs/dbraw/zinc/82/31/64/1170823164.db2.gz JMPATYUNDMFLFU-MRVPVSSYSA-N -1 1 324.304 0.625 20 30 DCEDMM COC(=O)c1ccc(Cn2cnc(C#N)c2-c2nn[n-]n2)nc1 ZINC001609303216 1170924504 /nfs/dbraw/zinc/92/45/04/1170924504.db2.gz HDFIYYDTDOEGGW-UHFFFAOYSA-N -1 1 310.277 0.165 20 30 DCEDMM CO[C@@H](C)c1noc(Cn2cnc(-c3nn[n-]n3)c2C#N)n1 ZINC001609309707 1170927692 /nfs/dbraw/zinc/92/76/92/1170927692.db2.gz VSDDWTUEVSAQSP-LURJTMIESA-N -1 1 301.270 0.074 20 30 DCEDMM COCc1cc(CN=Nc2oc(C)nc2-c2nn[n-]n2)no1 ZINC001609330489 1170943215 /nfs/dbraw/zinc/94/32/15/1170943215.db2.gz HVWWMCZFVAIQHV-UHFFFAOYSA-N -1 1 304.270 0.744 20 30 DCEDMM C=CCN1CC[C@H](N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001609373574 1170951984 /nfs/dbraw/zinc/95/19/84/1170951984.db2.gz GWAOQIBZJUZGCK-PWSUYJOCSA-N -1 1 305.338 0.010 20 30 DCEDMM CN(CCOCc1ccc(C#N)cc1)C(=O)CCc1nn[n-]n1 ZINC001628968650 1171539117 /nfs/dbraw/zinc/53/91/17/1171539117.db2.gz QTNSSWJFDWRFDD-UHFFFAOYSA-N -1 1 314.349 0.679 20 30 DCEDMM CCCC[C@H](ON=C(C)C)C(=O)N[C@H](COC)c1nn[n-]n1 ZINC001634621977 1171681547 /nfs/dbraw/zinc/68/15/47/1171681547.db2.gz LIQZMVZODWNKOP-MNOVXSKESA-N -1 1 312.374 0.975 20 30 DCEDMM N#CC1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCOCC1 ZINC001651264991 1173745851 /nfs/dbraw/zinc/74/58/51/1173745851.db2.gz FHSCOYSNFNHZJV-UHFFFAOYSA-N -1 1 306.278 0.746 20 30 DCEDMM N#C[C@]12CN(Cc3cccc(F)c3[O-])C[C@H]1CS(=O)(=O)C2 ZINC001660811003 1174053863 /nfs/dbraw/zinc/05/38/63/1174053863.db2.gz LNJGMEGQHHCUOF-SMDDNHRTSA-N -1 1 310.350 0.901 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](NCc1n[nH]c(=O)[n-]1)C(C)C ZINC001667499314 1174686744 /nfs/dbraw/zinc/68/67/44/1174686744.db2.gz XXQSWNLVPIAABZ-WOPDTQHZSA-N -1 1 323.397 0.332 20 30 DCEDMM C=C(C)CCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001683499836 1175966391 /nfs/dbraw/zinc/96/63/91/1175966391.db2.gz RPBMWEFPFKEHGK-YPMHNXCESA-N -1 1 319.361 0.445 20 30 DCEDMM C=CCOCC(=O)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001691875168 1177373418 /nfs/dbraw/zinc/37/34/18/1177373418.db2.gz AWJSYCPLLPNVIK-LLVKDONJSA-N -1 1 309.370 0.041 20 30 DCEDMM C=CCNC(=O)[C@H](C)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001692297556 1177478952 /nfs/dbraw/zinc/47/89/52/1177478952.db2.gz OHOAHNGAJBAKIL-NSHDSACASA-N -1 1 318.377 0.140 20 30 DCEDMM N#CCSCC(=O)NC/C=C/CNC(=O)c1ncccc1[O-] ZINC001704974775 1180198393 /nfs/dbraw/zinc/19/83/93/1180198393.db2.gz IDYISBMWUOOMSA-OWOJBTEDSA-N -1 1 320.374 0.446 20 30 DCEDMM C=C1CCC(C(=O)NC[C@H](C)N(C)Cc2nc(=O)n(C)[n-]2)CC1 ZINC001717486350 1182856951 /nfs/dbraw/zinc/85/69/51/1182856951.db2.gz FJALIWPGYHAXHS-LBPRGKRZSA-N -1 1 321.425 0.791 20 30 DCEDMM C=CCCOCC(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001718173211 1183157786 /nfs/dbraw/zinc/15/77/86/1183157786.db2.gz OBVBQEXDUFJSDL-LBPRGKRZSA-N -1 1 321.377 0.957 20 30 DCEDMM C=CCOCC(=O)N(CC)CCNC(=O)c1ncccc1[O-] ZINC001721141238 1183845147 /nfs/dbraw/zinc/84/51/47/1183845147.db2.gz JXHGEPVRTGWPPJ-UHFFFAOYSA-N -1 1 307.350 0.568 20 30 DCEDMM C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001724951371 1184633995 /nfs/dbraw/zinc/63/39/95/1184633995.db2.gz WFJDIFFXFPASNN-MNOVXSKESA-N -1 1 309.370 0.040 20 30 DCEDMM C=C(Cl)CNCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001731960605 1185607435 /nfs/dbraw/zinc/60/74/35/1185607435.db2.gz GNGBMLGTMWTFJD-UHFFFAOYSA-N -1 1 309.757 0.437 20 30 DCEDMM CC(C)(C)C#CC(=O)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001733648857 1186390463 /nfs/dbraw/zinc/39/04/63/1186390463.db2.gz WARKLKXWAJABCS-GFCCVEGCSA-N -1 1 319.409 0.888 20 30 DCEDMM C#CCO[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001744112441 1188183762 /nfs/dbraw/zinc/18/37/62/1188183762.db2.gz FNVCHROWCLOMFD-VXGBXAGGSA-N -1 1 317.345 0.156 20 30 DCEDMM C#CCCCCC(=O)N1CC[C@H](CN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001753348333 1188570876 /nfs/dbraw/zinc/57/08/76/1188570876.db2.gz SOCQCEZPSFDRSD-CYBMUJFWSA-N -1 1 319.409 0.984 20 30 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Cn1cc(-c2nn[n-]n2)c(NC(=O)COc2ccccc2C#N)n1 ZINC001581753463 1165867479 /nfs/dbraw/zinc/86/74/79/1165867479.db2.gz FVQZXJBXAORFDH-UHFFFAOYSA-N -1 1 324.304 0.489 20 30 DCEDMM N#Cc1nc(N2CC[C@H]3CSC[C@H]3C2)cnc1-c1nnn[n-]1 ZINC001581879749 1165898273 /nfs/dbraw/zinc/89/82/73/1165898273.db2.gz WMTCMNKGWMBORX-DTWKUNHWSA-N -1 1 314.378 0.718 20 30 DCEDMM N#Cc1nc(N2CC[C@H]3CSC[C@H]3C2)cnc1-c1nn[n-]n1 ZINC001581879749 1165898278 /nfs/dbraw/zinc/89/82/78/1165898278.db2.gz WMTCMNKGWMBORX-DTWKUNHWSA-N -1 1 314.378 0.718 20 30 DCEDMM N#Cc1ncc(NC[C@H](O)c2ccsc2)nc1-c1nn[n-]n1 ZINC001581883290 1165900716 /nfs/dbraw/zinc/90/07/16/1165900716.db2.gz VAUHQHYVZUUBEZ-VIFPVBQESA-N -1 1 314.334 0.735 20 30 DCEDMM N#Cc1ncc(N2CCCC[C@@H]2c2cc[nH]n2)nc1-c1nn[n-]n1 ZINC001581882180 1165900777 /nfs/dbraw/zinc/90/07/77/1165900777.db2.gz OIZFOADZYFNXCO-LLVKDONJSA-N -1 1 322.336 0.983 20 30 DCEDMM N#Cc1ncc(N[C@@H]2c3ccccc3C[C@H]2O)nc1-c1nn[n-]n1 ZINC001581883164 1165900821 /nfs/dbraw/zinc/90/08/21/1165900821.db2.gz 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1166522670 /nfs/dbraw/zinc/52/26/70/1166522670.db2.gz JVJQOSZPABHVQE-QMMMGPOBSA-N -1 1 301.310 0.804 20 30 DCEDMM C#C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588327231 1166524190 /nfs/dbraw/zinc/52/41/90/1166524190.db2.gz FFYKHKXGIKFWIT-DTWKUNHWSA-N -1 1 302.342 0.183 20 30 DCEDMM C#CCCCC(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588340088 1166533932 /nfs/dbraw/zinc/53/39/32/1166533932.db2.gz FGKIXRRDSPKVON-UHFFFAOYSA-N -1 1 314.353 0.013 20 30 DCEDMM C#CCCCS(=O)(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001588345745 1166534440 /nfs/dbraw/zinc/53/44/40/1166534440.db2.gz PVNQGTDPHGIZCT-UHFFFAOYSA-N -1 1 311.392 0.761 20 30 DCEDMM C=C(Br)Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001588391058 1166549110 /nfs/dbraw/zinc/54/91/10/1166549110.db2.gz CUISKQMWGNHAGP-UHFFFAOYSA-N -1 1 311.143 0.949 20 30 DCEDMM C#Cc1ccccc1CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001588376435 1166549284 /nfs/dbraw/zinc/54/92/84/1166549284.db2.gz FWTPWMACEUSJRC-UHFFFAOYSA-N -1 1 318.300 0.624 20 30 DCEDMM C=C(C)CN(CC)C(=O)Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001588426556 1166553607 /nfs/dbraw/zinc/55/36/07/1166553607.db2.gz ZIBVKYBSHHXCQF-UHFFFAOYSA-N -1 1 316.365 0.761 20 30 DCEDMM C=CCCC(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001588564043 1166562871 /nfs/dbraw/zinc/56/28/71/1166562871.db2.gz IGEFVWNYABQRPZ-SNVBAGLBSA-N -1 1 316.369 0.882 20 30 DCEDMM C=CCCC(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001588564043 1166562874 /nfs/dbraw/zinc/56/28/74/1166562874.db2.gz IGEFVWNYABQRPZ-SNVBAGLBSA-N -1 1 316.369 0.882 20 30 DCEDMM C=CCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588576578 1166565917 /nfs/dbraw/zinc/56/59/17/1166565917.db2.gz VWXKAOMEMYCVSW-AOOOYVTPSA-N -1 1 314.353 0.682 20 30 DCEDMM C=CCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588576578 1166565922 /nfs/dbraw/zinc/56/59/22/1166565922.db2.gz VWXKAOMEMYCVSW-AOOOYVTPSA-N -1 1 314.353 0.682 20 30 DCEDMM CC#CCCNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001588746193 1166585076 /nfs/dbraw/zinc/58/50/76/1166585076.db2.gz 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1166541287 /nfs/dbraw/zinc/54/12/87/1166541287.db2.gz NXKAIBHWIALJGQ-UHFFFAOYSA-N -1 1 319.321 0.263 20 30 DCEDMM C#CCOCCC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001588360486 1166545991 /nfs/dbraw/zinc/54/59/91/1166545991.db2.gz QWOMDLWUDJWSNQ-UHFFFAOYSA-N -1 1 306.351 0.634 20 30 DCEDMM C#CCOCCC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001588360486 1166545996 /nfs/dbraw/zinc/54/59/96/1166545996.db2.gz QWOMDLWUDJWSNQ-UHFFFAOYSA-N -1 1 306.351 0.634 20 30 DCEDMM C#CCOCCN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC001588362684 1166547017 /nfs/dbraw/zinc/54/70/17/1166547017.db2.gz PUXIACANKYBJLJ-UHFFFAOYSA-N -1 1 309.333 0.896 20 30 DCEDMM C#CCOCCN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC001588362684 1166547024 /nfs/dbraw/zinc/54/70/24/1166547024.db2.gz PUXIACANKYBJLJ-UHFFFAOYSA-N -1 1 309.333 0.896 20 30 DCEDMM C=CC[C@H](CC)NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588541567 1166559578 /nfs/dbraw/zinc/55/95/78/1166559578.db2.gz OHGKPTRXUIPYGL-VIFPVBQESA-N -1 1 305.346 0.112 20 30 DCEDMM 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1166941180 /nfs/dbraw/zinc/94/11/80/1166941180.db2.gz JCRHGOVDGXSHST-SCZZXKLOSA-N -1 1 302.342 0.737 20 30 DCEDMM CCCCCCCn1c(=O)c(-c2nn[n-]n2)cn(CCO)c1=O ZINC001590594848 1166946999 /nfs/dbraw/zinc/94/69/99/1166946999.db2.gz UVWIWUKTSAJRMJ-UHFFFAOYSA-N -1 1 322.369 0.153 20 30 DCEDMM CCOC(=O)c1cnn(CC2(C#N)CCC2)c1-c1nn[n-]n1 ZINC001590776069 1167015617 /nfs/dbraw/zinc/01/56/17/1167015617.db2.gz CSHNOQPYTVPLJW-UHFFFAOYSA-N -1 1 301.310 0.934 20 30 DCEDMM COC1(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)CCCC1 ZINC001591343424 1167225798 /nfs/dbraw/zinc/22/57/98/1167225798.db2.gz UEOVYJMNDYOXNY-UHFFFAOYSA-N -1 1 300.326 0.899 20 30 DCEDMM CSC[C@@H]1CCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001591697999 1167358192 /nfs/dbraw/zinc/35/81/92/1167358192.db2.gz FICWOOLSHBXCQK-QMMMGPOBSA-N -1 1 302.367 0.860 20 30 DCEDMM Cc1nn(C)c(NC(=O)c2ccc(C#N)cn2)c1-c1nnn[n-]1 ZINC001592433310 1167520286 /nfs/dbraw/zinc/52/02/86/1167520286.db2.gz ZALPXXTWQSHWCE-UHFFFAOYSA-N -1 1 309.293 0.428 20 30 DCEDMM 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/nfs/dbraw/zinc/89/89/80/1165898980.db2.gz YFPNGRSEPDDAFG-ZETCQYMHSA-N -1 1 315.322 0.130 20 30 DCEDMM N#Cc1nc(NCC[C@@H](O)C2CCCC2)cnc1-c1nnn[n-]1 ZINC001581880274 1165899665 /nfs/dbraw/zinc/89/96/65/1165899665.db2.gz FJWYNBTUJJXUQY-LLVKDONJSA-N -1 1 314.353 0.881 20 30 DCEDMM N#Cc1nc(NCC[C@@H](O)C2CCCC2)cnc1-c1nn[n-]n1 ZINC001581880274 1165899672 /nfs/dbraw/zinc/89/96/72/1165899672.db2.gz FJWYNBTUJJXUQY-LLVKDONJSA-N -1 1 314.353 0.881 20 30 DCEDMM N#Cc1nc(NCCc2csc(=O)[nH]2)cnc1-c1nnn[n-]1 ZINC001581881270 1165901363 /nfs/dbraw/zinc/90/13/63/1165901363.db2.gz SWOZOTFILDRBOI-UHFFFAOYSA-N -1 1 315.322 0.345 20 30 DCEDMM N#Cc1nc(NCCc2csc(=O)[nH]2)cnc1-c1nn[n-]n1 ZINC001581881270 1165901369 /nfs/dbraw/zinc/90/13/69/1165901369.db2.gz SWOZOTFILDRBOI-UHFFFAOYSA-N -1 1 315.322 0.345 20 30 DCEDMM N#Cc1ncc(N[C@@H]2CCC3(C2)OCCO3)nc1-c1nn[n-]n1 ZINC001581882473 1165902210 /nfs/dbraw/zinc/90/22/10/1165902210.db2.gz ABKANCZQNJQGIK-MRVPVSSYSA-N -1 1 314.309 0.236 20 30 DCEDMM N#Cc1nc(NCc2cc3n(n2)CCCO3)cnc1-c1nnn[n-]1 ZINC001581881220 1165902590 /nfs/dbraw/zinc/90/25/90/1165902590.db2.gz QCVLJXVVMHNCMK-UHFFFAOYSA-N -1 1 324.308 0.119 20 30 DCEDMM N#Cc1nc(NCc2cc3n(n2)CCCO3)cnc1-c1nn[n-]n1 ZINC001581881220 1165902595 /nfs/dbraw/zinc/90/25/95/1165902595.db2.gz QCVLJXVVMHNCMK-UHFFFAOYSA-N -1 1 324.308 0.119 20 30 DCEDMM N#Cc1ncc(Nc2ccc3c(c2)CC(=O)N3)nc1-c1nn[n-]n1 ZINC001581884794 1165904655 /nfs/dbraw/zinc/90/46/55/1165904655.db2.gz BDJSNTSVFHTGSE-UHFFFAOYSA-N -1 1 319.288 0.767 20 30 DCEDMM C=CCOCC(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001585377371 1166426972 /nfs/dbraw/zinc/42/69/72/1166426972.db2.gz FORKHLDQYHHJER-UHFFFAOYSA-N -1 1 305.334 0.273 20 30 DCEDMM C#C[C@@H]1CCCC[C@@H]1OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588332804 1166529417 /nfs/dbraw/zinc/52/94/17/1166529417.db2.gz SKLUSBWDIDPTQD-MXWKQRLJSA-N -1 1 315.337 0.754 20 30 DCEDMM C#CCCCS(=O)(=O)[N-]c1cc(-c2nn[nH]n2)cc(C)n1 ZINC001588345790 1166535259 /nfs/dbraw/zinc/53/52/59/1166535259.db2.gz RKTJMXWEQWJXIP-UHFFFAOYSA-N -1 1 306.351 0.725 20 30 DCEDMM C#CCCN(CCOC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001588346189 1166536168 /nfs/dbraw/zinc/53/61/68/1166536168.db2.gz BDIPTZXGQOXIEJ-UHFFFAOYSA-N -1 1 318.341 0.104 20 30 DCEDMM C#CCCN(CCOC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001588346189 1166536172 /nfs/dbraw/zinc/53/61/72/1166536172.db2.gz BDIPTZXGQOXIEJ-UHFFFAOYSA-N -1 1 318.341 0.104 20 30 DCEDMM C=CC(C)(C)CCNC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588486902 1166557136 /nfs/dbraw/zinc/55/71/36/1166557136.db2.gz MAQKLBWHNURGQK-UHFFFAOYSA-N -1 1 319.373 0.360 20 30 DCEDMM C=CCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588576242 1166565403 /nfs/dbraw/zinc/56/54/03/1166565403.db2.gz JBZYGMAJLUYILV-MGCOHNPYSA-N -1 1 314.353 0.682 20 30 DCEDMM C=CCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588576242 1166565411 /nfs/dbraw/zinc/56/54/11/1166565411.db2.gz JBZYGMAJLUYILV-MGCOHNPYSA-N -1 1 314.353 0.682 20 30 DCEDMM C=CCNC(=S)N1CCc2[nH]c(=O)c(-c3nn[n-]n3)cc2C1 ZINC001588663902 1166578799 /nfs/dbraw/zinc/57/87/99/1166578799.db2.gz QEWOERZMEVEHFE-UHFFFAOYSA-N -1 1 317.378 0.386 20 30 DCEDMM C[C@@H](C(=O)NCC(C)(C)CCC#N)n1cnc(-c2nn[n-]n2)n1 ZINC001588980326 1166624902 /nfs/dbraw/zinc/62/49/02/1166624902.db2.gz XSCBARLDCNGCAO-VIFPVBQESA-N -1 1 317.357 0.465 20 30 DCEDMM CC(C)[C@@H](C#N)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001589412782 1166657308 /nfs/dbraw/zinc/65/73/08/1166657308.db2.gz RPSHKURQDIVCSD-LLVKDONJSA-N -1 1 313.369 0.327 20 30 DCEDMM CC(C)OCCCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001589749081 1166681272 /nfs/dbraw/zinc/68/12/72/1166681272.db2.gz WOSUWBZDOIXBFP-UHFFFAOYSA-N -1 1 304.314 0.605 20 30 DCEDMM CC1(C)C[C@]1(C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590084412 1166770452 /nfs/dbraw/zinc/77/04/52/1166770452.db2.gz DMARLCAKYFCTJF-GFCCVEGCSA-N -1 1 319.350 0.232 20 30 DCEDMM CC1(C)C[C@]1(C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590084412 1166770454 /nfs/dbraw/zinc/77/04/54/1166770454.db2.gz DMARLCAKYFCTJF-GFCCVEGCSA-N -1 1 319.350 0.232 20 30 DCEDMM CC[C@H](C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)[NH+](CC)CC ZINC001590370633 1166892736 /nfs/dbraw/zinc/89/27/36/1166892736.db2.gz ISBYPXTZASNFNN-SECBINFHSA-N -1 1 317.357 0.520 20 30 DCEDMM CC[C@@]1(C)NC(=O)N(N=Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001590491350 1166923545 /nfs/dbraw/zinc/92/35/45/1166923545.db2.gz DBDGFEGFCQYQKR-LLVKDONJSA-N -1 1 320.338 0.378 20 30 DCEDMM CC[C@@]1(C)NC(=O)N(N=Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001590491350 1166923553 /nfs/dbraw/zinc/92/35/53/1166923553.db2.gz DBDGFEGFCQYQKR-LLVKDONJSA-N -1 1 320.338 0.378 20 30 DCEDMM CCOC(=O)[C@H](C)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590753116 1167006360 /nfs/dbraw/zinc/00/63/60/1167006360.db2.gz YRRSQPZBQYMUPH-SSDOTTSWSA-N -1 1 302.298 0.139 20 30 DCEDMM CCOC(=O)[C@H](C)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590753116 1167006363 /nfs/dbraw/zinc/00/63/63/1167006363.db2.gz YRRSQPZBQYMUPH-SSDOTTSWSA-N -1 1 302.298 0.139 20 30 DCEDMM COC[C@@H]1CCCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001591391965 1167260193 /nfs/dbraw/zinc/26/01/93/1167260193.db2.gz AWVFUVQMBBCDFH-SNVBAGLBSA-N -1 1 314.353 0.781 20 30 DCEDMM COC[C@@H]1CCCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001591391965 1167260196 /nfs/dbraw/zinc/26/01/96/1167260196.db2.gz AWVFUVQMBBCDFH-SNVBAGLBSA-N -1 1 314.353 0.781 20 30 DCEDMM CO[C@@H]1CCCC[C@H]1Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001591467189 1167300065 /nfs/dbraw/zinc/30/00/65/1167300065.db2.gz AQBRBGCCUAABDA-PSASIEDQSA-N -1 1 300.326 0.898 20 30 DCEDMM COc1cc(C#N)ccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001591506438 1167315433 /nfs/dbraw/zinc/31/54/33/1167315433.db2.gz IWPFLOCKYLUFJR-UHFFFAOYSA-N -1 1 310.277 0.722 20 30 DCEDMM COc1cc(C#N)ccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001591506438 1167315438 /nfs/dbraw/zinc/31/54/38/1167315438.db2.gz IWPFLOCKYLUFJR-UHFFFAOYSA-N -1 1 310.277 0.722 20 30 DCEDMM Cc1cc(C)n(N=Cc2ccc(N)nc2)c(=O)c1-c1nn[n-]n1 ZINC001591956975 1167425949 /nfs/dbraw/zinc/42/59/49/1167425949.db2.gz NRYLIOCNXAEQCE-UHFFFAOYSA-N -1 1 310.321 0.505 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(C)nn(C)c2N)o1 ZINC001592339209 1167493410 /nfs/dbraw/zinc/49/34/10/1167493410.db2.gz YUQCOFPFIAFJOE-UHFFFAOYSA-N -1 1 302.302 0.233 20 30 DCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001592682062 1167600775 /nfs/dbraw/zinc/60/07/75/1167600775.db2.gz OHFBLUNBNUVTKQ-NRPADANISA-N -1 1 300.326 0.475 20 30 DCEDMM N#Cc1ncc(N2CCC[C@@H](c3cc[nH]n3)C2)nc1-c1nn[n-]n1 ZINC001592708440 1167607451 /nfs/dbraw/zinc/60/74/51/1167607451.db2.gz RHWRYORWOYPJNF-SECBINFHSA-N -1 1 322.336 0.635 20 30 DCEDMM O=C(C#CC1CC1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592766855 1167640190 /nfs/dbraw/zinc/64/01/90/1167640190.db2.gz ULCKKDAZJJUUHY-LLVKDONJSA-N -1 1 324.348 0.083 20 30 DCEDMM O=C(C#CC1CC1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592766855 1167640193 /nfs/dbraw/zinc/64/01/93/1167640193.db2.gz ULCKKDAZJJUUHY-LLVKDONJSA-N -1 1 324.348 0.083 20 30 DCEDMM C#C[C@H]1CCCCN1S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001602696238 1169162992 /nfs/dbraw/zinc/16/29/92/1169162992.db2.gz GEDTURQBOMQWAP-JTQLQIEISA-N -1 1 318.362 0.438 20 30 DCEDMM C=CCC(C)(C)C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001602809078 1169186772 /nfs/dbraw/zinc/18/67/72/1169186772.db2.gz QEJKPDMYNAMOJR-UHFFFAOYSA-N -1 1 316.369 0.787 20 30 DCEDMM C=CCC(C)(C)C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001602809078 1169186782 /nfs/dbraw/zinc/18/67/82/1169186782.db2.gz QEJKPDMYNAMOJR-UHFFFAOYSA-N -1 1 316.369 0.787 20 30 DCEDMM C=CCCC[C@@H](C)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001602834386 1169191317 /nfs/dbraw/zinc/19/13/17/1169191317.db2.gz RNSMAADKWHUXOW-NXEZZACHSA-N -1 1 304.358 0.880 20 30 DCEDMM C=CCN1C(=O)N=NC1S[C@@H](CCC(=O)OC)C(=O)[O-] ZINC001602936971 1169211743 /nfs/dbraw/zinc/21/17/43/1169211743.db2.gz LJJQSFLOXNMAKI-ZETCQYMHSA-N -1 1 301.324 0.668 20 30 DCEDMM CCCCCOC1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001604179759 1169516281 /nfs/dbraw/zinc/51/62/81/1169516281.db2.gz BUKQEZHPIGCMHC-UHFFFAOYSA-N -1 1 314.353 0.924 20 30 DCEDMM CCCCCOC1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001604179759 1169516289 /nfs/dbraw/zinc/51/62/89/1169516289.db2.gz BUKQEZHPIGCMHC-UHFFFAOYSA-N -1 1 314.353 0.924 20 30 DCEDMM CCOC(=O)CCCCn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001604373820 1169574916 /nfs/dbraw/zinc/57/49/16/1169574916.db2.gz ICIOKAJHBQWDOO-UHFFFAOYSA-N -1 1 303.326 0.977 20 30 DCEDMM CN(CCCn1ccnc1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001604759504 1169670631 /nfs/dbraw/zinc/67/06/31/1169670631.db2.gz PCBUFSCKRLWLPG-UHFFFAOYSA-N -1 1 310.325 0.251 20 30 DCEDMM CN(CCCn1ccnc1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001604759504 1169670635 /nfs/dbraw/zinc/67/06/35/1169670635.db2.gz PCBUFSCKRLWLPG-UHFFFAOYSA-N -1 1 310.325 0.251 20 30 DCEDMM COC(=O)CC1CC(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001604933982 1169753269 /nfs/dbraw/zinc/75/32/69/1169753269.db2.gz MKXZYBWUSSREIW-UHFFFAOYSA-N -1 1 314.309 0.282 20 30 DCEDMM COCCN(CCC#N)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001605095806 1169822611 /nfs/dbraw/zinc/82/26/11/1169822611.db2.gz BVZGVBARYFWIHI-UHFFFAOYSA-N 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Cc1cc(C#N)cc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)n1 ZINC001580768581 1165714431 /nfs/dbraw/zinc/71/44/31/1165714431.db2.gz CLAPVBWVCAAUIK-QMMMGPOBSA-N -1 1 324.308 0.233 20 30 DCEDMM N#Cc1[n-]c(NC(=O)c2cnc(C3CC3)o2)nc1-c1nn[nH]n1 ZINC001581860763 1165894258 /nfs/dbraw/zinc/89/42/58/1165894258.db2.gz RUICJIJHBMONTD-UHFFFAOYSA-N -1 1 311.265 0.579 20 30 DCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1C[C@H]1COc2ccccc2O1 ZINC001581860906 1165894580 /nfs/dbraw/zinc/89/45/80/1165894580.db2.gz ZFJLGDQSLIJSDY-QMMMGPOBSA-N -1 1 324.304 0.357 20 30 DCEDMM N#Cc1cc(Cl)cc(Cn2cncc(-c3nn[n-]n3)c2=O)c1 ZINC001581866863 1165894971 /nfs/dbraw/zinc/89/49/71/1165894971.db2.gz YHPXRYHMXLCDDX-UHFFFAOYSA-N -1 1 313.708 0.997 20 30 DCEDMM N#Cc1nc(NCc2nccn2C(F)F)cnc1-c1nnn[n-]1 ZINC001581881225 1165900899 /nfs/dbraw/zinc/90/08/99/1165900899.db2.gz QFHCPESSMBATDL-UHFFFAOYSA-N -1 1 318.251 0.732 20 30 DCEDMM N#Cc1nc(NCc2nccn2C(F)F)cnc1-c1nn[n-]n1 ZINC001581881225 1165900905 /nfs/dbraw/zinc/90/09/05/1165900905.db2.gz QFHCPESSMBATDL-UHFFFAOYSA-N -1 1 318.251 0.732 20 30 DCEDMM N#Cc1ncc(N[C@H]2CCC3(C2)OCCO3)nc1-c1nn[n-]n1 ZINC001581882474 1165902117 /nfs/dbraw/zinc/90/21/17/1165902117.db2.gz ABKANCZQNJQGIK-QMMMGPOBSA-N -1 1 314.309 0.236 20 30 DCEDMM N#Cc1cn(CCNC(=O)c2cccc3nc[nH]c32)c(=O)[n-]c1=O ZINC001585295576 1166414945 /nfs/dbraw/zinc/41/49/45/1166414945.db2.gz HLYKSMKQFJCVIO-UHFFFAOYSA-N -1 1 324.300 0.127 20 30 DCEDMM C#C[C@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C(C)(C)C ZINC001588328595 1166523565 /nfs/dbraw/zinc/52/35/65/1166523565.db2.gz LPFNZZZZYKLBDD-JTQLQIEISA-N -1 1 320.378 0.588 20 30 DCEDMM C#CC[C@H](CCOC)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588330921 1166527117 /nfs/dbraw/zinc/52/71/17/1166527117.db2.gz HJWZXDYBALUYAJ-GFCCVEGCSA-N -1 1 314.349 0.349 20 30 DCEDMM C#CC[C@H](CCOC)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588330921 1166527124 /nfs/dbraw/zinc/52/71/24/1166527124.db2.gz HJWZXDYBALUYAJ-GFCCVEGCSA-N -1 1 314.349 0.349 20 30 DCEDMM C#C[C@H]1CCCN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001588332716 1166530394 /nfs/dbraw/zinc/53/03/94/1166530394.db2.gz QQBXXRKCOHSBTN-JTQLQIEISA-N -1 1 312.333 0.898 20 30 DCEDMM C#C[C@H]1CCCN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001588332716 1166530399 /nfs/dbraw/zinc/53/03/99/1166530399.db2.gz QQBXXRKCOHSBTN-JTQLQIEISA-N -1 1 312.333 0.898 20 30 DCEDMM C#CCNC(=O)CSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC001588353683 1166543840 /nfs/dbraw/zinc/54/38/40/1166543840.db2.gz BLIFIHYCMHCHEX-UHFFFAOYSA-N -1 1 303.351 0.115 20 30 DCEDMM C#CCN1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001588353395 1166544005 /nfs/dbraw/zinc/54/40/05/1166544005.db2.gz QEMVWMZASUMMNZ-UHFFFAOYSA-N -1 1 313.321 0.530 20 30 DCEDMM C#CCN1CCN(C(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001588353150 1166545083 /nfs/dbraw/zinc/54/50/83/1166545083.db2.gz IJPPAMIFMKPCEK-UHFFFAOYSA-N -1 1 302.363 0.319 20 30 DCEDMM C#CCN1CCN(C(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001588353150 1166545090 /nfs/dbraw/zinc/54/50/90/1166545090.db2.gz IJPPAMIFMKPCEK-UHFFFAOYSA-N -1 1 302.363 0.319 20 30 DCEDMM C#CCN1CCC(NC(=O)COCc2ocnc2C(=O)[O-])CC1 ZINC001588477244 1166556674 /nfs/dbraw/zinc/55/66/74/1166556674.db2.gz WYMVIQMLHKEIKI-UHFFFAOYSA-N -1 1 321.333 0.103 20 30 DCEDMM C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588540824 1166559096 /nfs/dbraw/zinc/55/90/96/1166559096.db2.gz GFGJJBRECCJRJN-VIFPVBQESA-N -1 1 315.337 0.671 20 30 DCEDMM C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588540824 1166559098 /nfs/dbraw/zinc/55/90/98/1166559098.db2.gz GFGJJBRECCJRJN-VIFPVBQESA-N -1 1 315.337 0.671 20 30 DCEDMM C=CC[C@@H](CO)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588544403 1166560365 /nfs/dbraw/zinc/56/03/65/1166560365.db2.gz FMVXKWGIHJXBHH-SECBINFHSA-N -1 1 303.326 0.568 20 30 DCEDMM C=CC[C@@H](CO)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588544403 1166560371 /nfs/dbraw/zinc/56/03/71/1166560371.db2.gz FMVXKWGIHJXBHH-SECBINFHSA-N -1 1 303.326 0.568 20 30 DCEDMM C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588565193 1166562117 /nfs/dbraw/zinc/56/21/17/1166562117.db2.gz WVFMUUKIGSEZKW-SNVBAGLBSA-N -1 1 320.378 0.848 20 30 DCEDMM C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588565193 1166562129 /nfs/dbraw/zinc/56/21/29/1166562129.db2.gz WVFMUUKIGSEZKW-SNVBAGLBSA-N -1 1 320.378 0.848 20 30 DCEDMM C=CCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588566948 1166562364 /nfs/dbraw/zinc/56/23/64/1166562364.db2.gz PBIRFRLXDHBLLU-SNVBAGLBSA-N -1 1 314.353 0.636 20 30 DCEDMM C=CCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588566948 1166562367 /nfs/dbraw/zinc/56/23/67/1166562367.db2.gz PBIRFRLXDHBLLU-SNVBAGLBSA-N -1 1 314.353 0.636 20 30 DCEDMM C=CC[C@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001588560668 1166562578 /nfs/dbraw/zinc/56/25/78/1166562578.db2.gz UBNNORWUBLLCRP-QWRGUYRKSA-N -1 1 316.369 0.834 20 30 DCEDMM C=CCCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588566047 1166563428 /nfs/dbraw/zinc/56/34/28/1166563428.db2.gz BUVGKBNRGSJIDA-JTQLQIEISA-N -1 1 314.353 0.636 20 30 DCEDMM C=CCCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588566047 1166563435 /nfs/dbraw/zinc/56/34/35/1166563435.db2.gz BUVGKBNRGSJIDA-JTQLQIEISA-N -1 1 314.353 0.636 20 30 DCEDMM C=CCCC(=O)NCCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001588572203 1166565445 /nfs/dbraw/zinc/56/54/45/1166565445.db2.gz BLDUCWHFHITCQE-UHFFFAOYSA-N -1 1 316.369 0.565 20 30 DCEDMM C=CCCC(=O)NCCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001588572203 1166565452 /nfs/dbraw/zinc/56/54/52/1166565452.db2.gz BLDUCWHFHITCQE-UHFFFAOYSA-N -1 1 316.369 0.565 20 30 DCEDMM C=CCNC(=O)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001588658203 1166576416 /nfs/dbraw/zinc/57/64/16/1166576416.db2.gz BOLKIRCICWNVQE-UHFFFAOYSA-N -1 1 310.317 0.484 20 30 DCEDMM C=CCNC(=O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001588658865 1166576474 /nfs/dbraw/zinc/57/64/74/1166576474.db2.gz WFPSBNKLQLJMPX-UHFFFAOYSA-N -1 1 314.349 0.209 20 30 DCEDMM C=CCOC[C@@H](NCc1cccc(-c2nnn[n-]2)n1)C(=O)OC ZINC001588681950 1166578227 /nfs/dbraw/zinc/57/82/27/1166578227.db2.gz SNURBAYFYVYSIP-GFCCVEGCSA-N -1 1 318.337 0.096 20 30 DCEDMM C=CCOC[C@@H](NCc1cccc(-c2nn[n-]n2)n1)C(=O)OC ZINC001588681950 1166578235 /nfs/dbraw/zinc/57/82/35/1166578235.db2.gz SNURBAYFYVYSIP-GFCCVEGCSA-N -1 1 318.337 0.096 20 30 DCEDMM C=CCO[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001588665736 1166579056 /nfs/dbraw/zinc/57/90/56/1166579056.db2.gz QSNAJGBEJLBFEI-VIFPVBQESA-N -1 1 317.309 0.951 20 30 DCEDMM C=CCO[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001588665736 1166579058 /nfs/dbraw/zinc/57/90/58/1166579058.db2.gz QSNAJGBEJLBFEI-VIFPVBQESA-N -1 1 317.309 0.951 20 30 DCEDMM CC#CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)[O-] ZINC001588738465 1166584414 /nfs/dbraw/zinc/58/44/14/1166584414.db2.gz OUQCGOCGOXHMDD-LBPRGKRZSA-N -1 1 303.297 0.962 20 30 DCEDMM CC(C)(C)C[C@H](O)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589119143 1166635744 /nfs/dbraw/zinc/63/57/44/1166635744.db2.gz NSJQOFXKSCAVPX-QMMMGPOBSA-N -1 1 302.342 0.737 20 30 DCEDMM CC(C)[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589762310 1166683719 /nfs/dbraw/zinc/68/37/19/1166683719.db2.gz UZVRONLYMQPNDI-LLVKDONJSA-N -1 1 324.341 0.832 20 30 DCEDMM C[C@H](CC#N)N(C)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001589787326 1166688416 /nfs/dbraw/zinc/68/84/16/1166688416.db2.gz JPMOLABCGJSKAY-MRVPVSSYSA-N -1 1 307.339 0.184 20 30 DCEDMM C[C@H](Cc1ccncc1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589901673 1166712977 /nfs/dbraw/zinc/71/29/77/1166712977.db2.gz CCNVQRJZYJVDNA-SECBINFHSA-N -1 1 307.321 0.966 20 30 DCEDMM CCCCCCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC001590594847 1166946423 /nfs/dbraw/zinc/94/64/23/1166946423.db2.gz UUIBASWAWYJAON-UHFFFAOYSA-N -1 1 321.385 0.646 20 30 DCEDMM CCc1cncc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001590900897 1167042444 /nfs/dbraw/zinc/04/24/44/1167042444.db2.gz CXDMPJAGOOSJAH-UHFFFAOYSA-N -1 1 309.293 0.671 20 30 DCEDMM COC1(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CCCC1 ZINC001591342728 1167225043 /nfs/dbraw/zinc/22/50/43/1167225043.db2.gz KIPGQSBTOBLEIE-UHFFFAOYSA-N -1 1 300.326 0.899 20 30 DCEDMM COC1(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)CCCC1 ZINC001591342728 1167225050 /nfs/dbraw/zinc/22/50/50/1167225050.db2.gz KIPGQSBTOBLEIE-UHFFFAOYSA-N -1 1 300.326 0.899 20 30 DCEDMM CO[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC[C@H]1C ZINC001591362770 1167237483 /nfs/dbraw/zinc/23/74/83/1167237483.db2.gz QHGJDRKPDZZFHG-PSASIEDQSA-N -1 1 300.326 0.390 20 30 DCEDMM CO[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC[C@H]1C ZINC001591362770 1167237488 /nfs/dbraw/zinc/23/74/88/1167237488.db2.gz QHGJDRKPDZZFHG-PSASIEDQSA-N -1 1 300.326 0.390 20 30 DCEDMM COCC1(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)CCCC1 ZINC001591391251 1167261880 /nfs/dbraw/zinc/26/18/80/1167261880.db2.gz YZMCPAWSTOLVRP-UHFFFAOYSA-N -1 1 300.326 0.899 20 30 DCEDMM COCc1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)o1 ZINC001591455909 1167293935 /nfs/dbraw/zinc/29/39/35/1167293935.db2.gz ATKTWRAYAFPIEP-UHFFFAOYSA-N -1 1 314.265 0.453 20 30 DCEDMM Cc1ccc(CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC001592147357 1167462721 /nfs/dbraw/zinc/46/27/21/1167462721.db2.gz XLXGTFHXAUOLCP-UHFFFAOYSA-N -1 1 308.305 0.951 20 30 DCEDMM Cc1ccncc1CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001592278925 1167482684 /nfs/dbraw/zinc/48/26/84/1167482684.db2.gz PKVRDHOZSFAQAL-UHFFFAOYSA-N -1 1 309.293 0.346 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1cc(Cl)n(C)n1 ZINC001592335709 1167492569 /nfs/dbraw/zinc/49/25/69/1167492569.db2.gz WYBKCHUWQKLXOB-UHFFFAOYSA-N -1 1 303.717 0.679 20 30 DCEDMM Cc1cc(C)n(N=Cc2ccnc(C)n2)c(=O)c1-c1nn[n-]n1 ZINC001592415874 1167517241 /nfs/dbraw/zinc/51/72/41/1167517241.db2.gz PULJTKZYHBWQIX-UHFFFAOYSA-N -1 1 310.321 0.626 20 30 DCEDMM Cn1ncc(Cl)c1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001592601169 1167577679 /nfs/dbraw/zinc/57/76/79/1167577679.db2.gz SASXBZHUKYBHFX-UHFFFAOYSA-N -1 1 318.688 0.101 20 30 DCEDMM N#CC[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001592674528 1167595685 /nfs/dbraw/zinc/59/56/85/1167595685.db2.gz FJTPTWVKELVEQY-JTQLQIEISA-N -1 1 308.305 0.983 20 30 DCEDMM N#CCN(C1CC1)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001592677277 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/nfs/dbraw/zinc/81/73/59/1165817359.db2.gz XNXVPFBKSAGDFP-JTQLQIEISA-N -1 1 322.336 0.485 20 30 DCEDMM Cc1cnn([C@H]2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C2)c1 ZINC001581346343 1165817361 /nfs/dbraw/zinc/81/73/61/1165817361.db2.gz XNXVPFBKSAGDFP-JTQLQIEISA-N -1 1 322.336 0.485 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1cnc(Cl)cn1 ZINC001581410612 1165823127 /nfs/dbraw/zinc/82/31/27/1165823127.db2.gz QBTNOMRGXNQVAP-UHFFFAOYSA-N -1 1 301.701 0.735 20 30 DCEDMM Cc1ncsc1CCNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001581586371 1165846531 /nfs/dbraw/zinc/84/65/31/1165846531.db2.gz LPBPZICMDLUVQX-UHFFFAOYSA-N -1 1 313.350 0.948 20 30 DCEDMM Cn1c(Cl)cnc1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001581753023 1165867803 /nfs/dbraw/zinc/86/78/03/1165867803.db2.gz JUEYBARHFPXEON-UHFFFAOYSA-N -1 1 316.716 0.527 20 30 DCEDMM Cn1c(Cl)cnc1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001581753023 1165867810 /nfs/dbraw/zinc/86/78/10/1165867810.db2.gz JUEYBARHFPXEON-UHFFFAOYSA-N -1 1 316.716 0.527 20 30 DCEDMM N#C[C@@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCCOC1 ZINC001581856877 1165889439 /nfs/dbraw/zinc/88/94/39/1165889439.db2.gz HUKJBRNSLMLSFN-AWEZNQCLSA-N -1 1 313.321 0.198 20 30 DCEDMM N#C[C@@]1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCCOC1 ZINC001581856877 1165889444 /nfs/dbraw/zinc/88/94/44/1165889444.db2.gz HUKJBRNSLMLSFN-AWEZNQCLSA-N -1 1 313.321 0.198 20 30 DCEDMM N#Cc1[n-]c(NC(=O)C2(c3cccnc3)CC2)nc1-c1nn[nH]n1 ZINC001581859914 1165891739 /nfs/dbraw/zinc/89/17/39/1165891739.db2.gz CCGNKDZZGGSVDE-UHFFFAOYSA-N -1 1 321.304 0.527 20 30 DCEDMM N#Cc1nc(N2CC[C@H](c3ncccn3)C2)cnc1-c1nnn[n-]1 ZINC001581879188 1165900139 /nfs/dbraw/zinc/90/01/39/1165900139.db2.gz ABAREHFCBNUFMR-VIFPVBQESA-N -1 1 320.320 0.312 20 30 DCEDMM N#Cc1nc(N2CC[C@H](c3ncccn3)C2)cnc1-c1nn[n-]n1 ZINC001581879188 1165900144 /nfs/dbraw/zinc/90/01/44/1165900144.db2.gz ABAREHFCBNUFMR-VIFPVBQESA-N -1 1 320.320 0.312 20 30 DCEDMM N#Cc1ncc(N2CC[C@@H]3CSC[C@H]3C2)nc1-c1nn[n-]n1 ZINC001581881899 1165901757 /nfs/dbraw/zinc/90/17/57/1165901757.db2.gz DPYKOJBDUQHXJI-RKDXNWHRSA-N -1 1 314.378 0.718 20 30 DCEDMM N#Cc1nc(Nc2ccc3c(c2)CC(=O)N3)cnc1-c1nnn[n-]1 ZINC001581881268 1165902787 /nfs/dbraw/zinc/90/27/87/1165902787.db2.gz SSRNGJFUIRGYOR-UHFFFAOYSA-N -1 1 319.288 0.767 20 30 DCEDMM N#Cc1nc(Nc2ccc3c(c2)CC(=O)N3)cnc1-c1nn[n-]n1 ZINC001581881268 1165902794 /nfs/dbraw/zinc/90/27/94/1165902794.db2.gz SSRNGJFUIRGYOR-UHFFFAOYSA-N -1 1 319.288 0.767 20 30 DCEDMM C#C[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001588326989 1166524039 /nfs/dbraw/zinc/52/40/39/1166524039.db2.gz ZOSPFNWWXUFLGG-ZETCQYMHSA-N -1 1 311.754 0.820 20 30 DCEDMM C#C[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001588326989 1166524046 /nfs/dbraw/zinc/52/40/46/1166524046.db2.gz ZOSPFNWWXUFLGG-ZETCQYMHSA-N -1 1 311.754 0.820 20 30 DCEDMM C#CCN(Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)C(C)C ZINC001588352299 1166543231 /nfs/dbraw/zinc/54/32/31/1166543231.db2.gz YCCXMJAGUPLPCV-UHFFFAOYSA-N -1 1 312.377 0.818 20 30 DCEDMM C#CCO[C@H](C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001588360769 1166547462 /nfs/dbraw/zinc/54/74/62/1166547462.db2.gz VLDZNMXDZMYQLZ-SECBINFHSA-N -1 1 317.353 0.795 20 30 DCEDMM C#CCO[C@H](C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001588360769 1166547465 /nfs/dbraw/zinc/54/74/65/1166547465.db2.gz VLDZNMXDZMYQLZ-SECBINFHSA-N -1 1 317.353 0.795 20 30 DCEDMM C=CCCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001588576321 1166565254 /nfs/dbraw/zinc/56/52/54/1166565254.db2.gz MOOGGCQGKLEOHT-SNVBAGLBSA-N -1 1 314.353 0.318 20 30 DCEDMM C=CCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001588576321 1166565263 /nfs/dbraw/zinc/56/52/63/1166565263.db2.gz MOOGGCQGKLEOHT-SNVBAGLBSA-N -1 1 314.353 0.318 20 30 DCEDMM C=CCCCC(=O)NCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001588590864 1166566035 /nfs/dbraw/zinc/56/60/35/1166566035.db2.gz YVGIFJMMCQVNAP-UHFFFAOYSA-N -1 1 316.369 0.850 20 30 DCEDMM C=CCCCC(=O)NCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001588590864 1166566043 /nfs/dbraw/zinc/56/60/43/1166566043.db2.gz YVGIFJMMCQVNAP-UHFFFAOYSA-N -1 1 316.369 0.850 20 30 DCEDMM C=CCCO[C@H](C)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001588610339 1166572290 /nfs/dbraw/zinc/57/22/90/1166572290.db2.gz BPXJKUIAADIDET-SECBINFHSA-N -1 1 305.342 0.828 20 30 DCEDMM C=CCCO[C@H](C)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001588610339 1166572295 /nfs/dbraw/zinc/57/22/95/1166572295.db2.gz BPXJKUIAADIDET-SECBINFHSA-N -1 1 305.342 0.828 20 30 DCEDMM C=CCNC(=O)NC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001588658372 1166577201 /nfs/dbraw/zinc/57/72/01/1166577201.db2.gz HUZLRESPXTWHQA-UHFFFAOYSA-N -1 1 319.350 0.366 20 30 DCEDMM C=CCNC(=O)NC(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001588658372 1166577206 /nfs/dbraw/zinc/57/72/06/1166577206.db2.gz HUZLRESPXTWHQA-UHFFFAOYSA-N -1 1 319.350 0.366 20 30 DCEDMM C[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588952762 1166622320 /nfs/dbraw/zinc/62/23/20/1166622320.db2.gz YBGCXHXFOOSUBB-RNCFNFMXSA-N -1 1 315.341 0.171 20 30 DCEDMM C[C@H](C(=O)N[C@H](C#N)C1CCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588966242 1166624380 /nfs/dbraw/zinc/62/43/80/1166624380.db2.gz XGNBZCXHDWWZFN-PSASIEDQSA-N -1 1 315.341 0.218 20 30 DCEDMM CC(C)(C#N)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589035920 1166631058 /nfs/dbraw/zinc/63/10/58/1166631058.db2.gz CBXZYIRSAOUFJL-UHFFFAOYSA-N -1 1 312.380 0.756 20 30 DCEDMM CC(C)(C#N)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589035920 1166631063 /nfs/dbraw/zinc/63/10/63/1166631063.db2.gz CBXZYIRSAOUFJL-UHFFFAOYSA-N -1 1 312.380 0.756 20 30 DCEDMM C[C@@H](C(=O)OCCCSCC#N)n1cnc(-c2nn[n-]n2)n1 ZINC001589029450 1166631721 /nfs/dbraw/zinc/63/17/21/1166631721.db2.gz ATRBXMJSEQHITK-QMMMGPOBSA-N -1 1 322.354 0.209 20 30 DCEDMM CC(C)CN(CCC#N)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589619531 1166668392 /nfs/dbraw/zinc/66/83/92/1166668392.db2.gz JWBMVUPWNWLNDA-JTQLQIEISA-N -1 1 317.357 0.417 20 30 DCEDMM C[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1csnn1 ZINC001589986816 1166737718 /nfs/dbraw/zinc/73/77/18/1166737718.db2.gz UNVOJCOWTQVXSD-RXMQYKEDSA-N -1 1 300.311 0.553 20 30 DCEDMM C[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1csnn1 ZINC001589986816 1166737721 /nfs/dbraw/zinc/73/77/21/1166737721.db2.gz UNVOJCOWTQVXSD-RXMQYKEDSA-N -1 1 300.311 0.553 20 30 DCEDMM CCC[C@H](C)[C@H](CO)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590547781 1166942521 /nfs/dbraw/zinc/94/25/21/1166942521.db2.gz JCRHGOVDGXSHST-WPRPVWTQSA-N -1 1 302.342 0.737 20 30 DCEDMM CCC[C@H](C)[C@H](CO)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590547781 1166942526 /nfs/dbraw/zinc/94/25/26/1166942526.db2.gz JCRHGOVDGXSHST-WPRPVWTQSA-N -1 1 302.342 0.737 20 30 DCEDMM CCO[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)[C@@H]1OC ZINC001590791279 1167022336 /nfs/dbraw/zinc/02/23/36/1167022336.db2.gz MBNJHGOGWGEEFD-VMAXQDLPSA-N -1 1 316.325 0.133 20 30 DCEDMM CN(Cc1cnc2c(-c3nnn[n-]3)cnn2c1)CC(C)(C)C#N ZINC001591151908 1167117332 /nfs/dbraw/zinc/11/73/32/1167117332.db2.gz ICILGIKVQHXJDF-UHFFFAOYSA-N -1 1 311.353 0.891 20 30 DCEDMM CN(Cc1cnc2c(-c3nn[n-]n3)cnn2c1)CC(C)(C)C#N ZINC001591151908 1167117334 /nfs/dbraw/zinc/11/73/34/1167117334.db2.gz ICILGIKVQHXJDF-UHFFFAOYSA-N -1 1 311.353 0.891 20 30 DCEDMM CNC(=O)c1ccc(Cn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC001591213686 1167159193 /nfs/dbraw/zinc/15/91/93/1167159193.db2.gz RXSPCNUMWDDIPX-UHFFFAOYSA-N -1 1 308.305 0.343 20 30 DCEDMM CO[C@H]1CCC[C@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001591362937 1167237564 /nfs/dbraw/zinc/23/75/64/1167237564.db2.gz UODBHKYWHAJBTO-SVRRBLITSA-N -1 1 302.298 0.215 20 30 DCEDMM COCCn1cc(Nc2cnc(-c3nnn[n-]3)c(C#N)n2)cn1 ZINC001591450037 1167289771 /nfs/dbraw/zinc/28/97/71/1167289771.db2.gz CKMFZAGUKRLFDL-UHFFFAOYSA-N -1 1 312.297 0.115 20 30 DCEDMM COCCn1cc(Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cn1 ZINC001591450037 1167289776 /nfs/dbraw/zinc/28/97/76/1167289776.db2.gz CKMFZAGUKRLFDL-UHFFFAOYSA-N -1 1 312.297 0.115 20 30 DCEDMM COc1ccc(Cn2cnc(-c3nn[n-]n3)c2C#N)cc1C#N ZINC001591605349 1167336091 /nfs/dbraw/zinc/33/60/91/1167336091.db2.gz GJMIDFDKOBBLKP-UHFFFAOYSA-N -1 1 306.289 0.863 20 30 DCEDMM COc1ncc(Cn2c(C)nc(-c3nn[n-]n3)c2C#N)c(C)n1 ZINC001591663660 1167342695 /nfs/dbraw/zinc/34/26/95/1167342695.db2.gz VJVXKJYMFSVRKI-UHFFFAOYSA-N -1 1 311.309 0.399 20 30 DCEDMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C#N)C(C)C ZINC001591835827 1167391477 /nfs/dbraw/zinc/39/14/77/1167391477.db2.gz VPJOOBOKOVYETJ-SECBINFHSA-N -1 1 301.310 0.554 20 30 DCEDMM Cc1cc(C)n(N=C[C@H]2CCCOC2)c(=O)c1-c1nn[n-]n1 ZINC001591955955 1167425065 /nfs/dbraw/zinc/42/50/65/1167425065.db2.gz PEBAOHRZNSYFJM-LLVKDONJSA-N -1 1 302.338 0.906 20 30 DCEDMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NCCC#N ZINC001591989540 1167431196 /nfs/dbraw/zinc/43/11/96/1167431196.db2.gz DNLIHVAHQIIESZ-UHFFFAOYSA-N -1 1 310.314 0.506 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2nnn(C(C)(C)C)n2)o1 ZINC001592338593 1167494116 /nfs/dbraw/zinc/49/41/16/1167494116.db2.gz IZYGTDNDHDTFOS-UHFFFAOYSA-N -1 1 317.317 0.351 20 30 DCEDMM Cc1nn(C)c(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1C#N ZINC001592432989 1167520175 /nfs/dbraw/zinc/52/01/75/1167520175.db2.gz OWDRIBUBZXATCL-UHFFFAOYSA-N -1 1 312.293 0.934 20 30 DCEDMM Cc1nn(C)c(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1C#N ZINC001592432989 1167520178 /nfs/dbraw/zinc/52/01/78/1167520178.db2.gz OWDRIBUBZXATCL-UHFFFAOYSA-N -1 1 312.293 0.934 20 30 DCEDMM Cc1nnc(Sc2cnc(C#N)c(-c3nn[n-]n3)n2)s1 ZINC001592450329 1167526588 /nfs/dbraw/zinc/52/65/88/1167526588.db2.gz JAHXUFGFRRAUJP-UHFFFAOYSA-N -1 1 303.336 0.840 20 30 DCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC1CCN(CC#N)CC1 ZINC001592500425 1167541720 /nfs/dbraw/zinc/54/17/20/1167541720.db2.gz BGHFDDQTMNHFPE-UHFFFAOYSA-N -1 1 316.321 0.913 20 30 DCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC1CCN(CC#N)CC1 ZINC001592500425 1167541724 /nfs/dbraw/zinc/54/17/24/1167541724.db2.gz BGHFDDQTMNHFPE-UHFFFAOYSA-N -1 1 316.321 0.913 20 30 DCEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C#N)ccc2F)n1 ZINC001592561164 1167562216 /nfs/dbraw/zinc/56/22/16/1167562216.db2.gz ZTSQUPGCUHRFCP-UHFFFAOYSA-N -1 1 312.268 0.863 20 30 DCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C#N)ccc2F)n1 ZINC001592561164 1167562221 /nfs/dbraw/zinc/56/22/21/1167562221.db2.gz ZTSQUPGCUHRFCP-UHFFFAOYSA-N -1 1 312.268 0.863 20 30 DCEDMM N#C[C@]1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCCOC1 ZINC001592666246 1167592569 /nfs/dbraw/zinc/59/25/69/1167592569.db2.gz DJXZMQLHJQZTKX-LLVKDONJSA-N -1 1 305.323 0.582 20 30 DCEDMM N#C[C@]1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCCOC1 ZINC001592666246 1167592575 /nfs/dbraw/zinc/59/25/75/1167592575.db2.gz DJXZMQLHJQZTKX-LLVKDONJSA-N -1 1 305.323 0.582 20 30 DCEDMM N#C[C@H]1CCCN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001592672371 1167593834 /nfs/dbraw/zinc/59/38/34/1167593834.db2.gz GWSMJILKRJIEJK-MRVPVSSYSA-N -1 1 324.391 0.852 20 30 DCEDMM N#C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1C1CC1 ZINC001592671376 1167593890 /nfs/dbraw/zinc/59/38/90/1167593890.db2.gz FKNMNGREPCGHBL-LBPRGKRZSA-N -1 1 324.348 0.074 20 30 DCEDMM N#C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1C1CC1 ZINC001592671376 1167593896 /nfs/dbraw/zinc/59/38/96/1167593896.db2.gz FKNMNGREPCGHBL-LBPRGKRZSA-N -1 1 324.348 0.074 20 30 DCEDMM N#Cc1nc(NCC2(n3cccn3)CC2)cnc1-c1nnn[n-]1 ZINC001592707823 1167607469 /nfs/dbraw/zinc/60/74/69/1167607469.db2.gz DZTUCEXOPGAYFK-UHFFFAOYSA-N -1 1 308.309 0.326 20 30 DCEDMM N#Cc1nc(NCC2(n3cccn3)CC2)cnc1-c1nn[n-]n1 ZINC001592707823 1167607474 /nfs/dbraw/zinc/60/74/74/1167607474.db2.gz DZTUCEXOPGAYFK-UHFFFAOYSA-N -1 1 308.309 0.326 20 30 DCEDMM N#Cc1ncc(NC[C@@H]2CCCC[C@H]2O)nc1-c1nn[n-]n1 ZINC001592710629 1167610061 /nfs/dbraw/zinc/61/00/61/1167610061.db2.gz RUBWRXSHTBUPHA-WCBMZHEXSA-N -1 1 300.326 0.491 20 30 DCEDMM O=C(C#CC1CC1)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001592767370 1167639763 /nfs/dbraw/zinc/63/97/63/1167639763.db2.gz BPYNVFGMMLAAGS-UPHRSURJSA-N -1 1 324.348 0.154 20 30 DCEDMM O=C(C#CC1CC1)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001592767370 1167639766 /nfs/dbraw/zinc/63/97/66/1167639766.db2.gz BPYNVFGMMLAAGS-UPHRSURJSA-N -1 1 324.348 0.154 20 30 DCEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC001601119108 1168587723 /nfs/dbraw/zinc/58/77/23/1168587723.db2.gz NXOUOZHBYSCAIC-MJBXVCDLSA-N -1 1 320.370 0.660 20 30 DCEDMM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001601783176 1168892888 /nfs/dbraw/zinc/89/28/88/1168892888.db2.gz SYYAGSFHVZTSKR-ZIAGYGMSSA-N -1 1 304.321 0.604 20 30 DCEDMM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCOCC1 ZINC001602689310 1169161286 /nfs/dbraw/zinc/16/12/86/1169161286.db2.gz QPLJBKWOVAUZJH-GFCCVEGCSA-N -1 1 312.333 0.420 20 30 DCEDMM C#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCOCC1 ZINC001602689310 1169161290 /nfs/dbraw/zinc/16/12/90/1169161290.db2.gz QPLJBKWOVAUZJH-GFCCVEGCSA-N -1 1 312.333 0.420 20 30 DCEDMM C#CC[C@@H](CCOC)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001602697419 1169163947 /nfs/dbraw/zinc/16/39/47/1169163947.db2.gz MVAAQYJIYIUQFC-JTQLQIEISA-N -1 1 315.337 0.812 20 30 DCEDMM C#CC[C@@H](CCOC)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001602697419 1169163951 /nfs/dbraw/zinc/16/39/51/1169163951.db2.gz MVAAQYJIYIUQFC-JTQLQIEISA-N -1 1 315.337 0.812 20 30 DCEDMM C#CCN1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 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0.995 20 30 DCEDMM CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001573519083 1163456548 /nfs/dbraw/zinc/45/65/48/1163456548.db2.gz BGHGWGWIEBVGBY-UHFFFAOYSA-N -1 1 303.322 0.992 20 30 DCEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC001574126937 1163643466 /nfs/dbraw/zinc/64/34/66/1163643466.db2.gz JEKUMSHJEHYSHA-UHFFFAOYSA-N -1 1 318.333 0.200 20 30 DCEDMM C[C@@H](O)C[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001575479864 1164030482 /nfs/dbraw/zinc/03/04/82/1164030482.db2.gz LIERQLLIQLOAJH-ZJUUUORDSA-N -1 1 314.353 0.658 20 30 DCEDMM C[C@@H](O)C[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001575479864 1164030489 /nfs/dbraw/zinc/03/04/89/1164030489.db2.gz LIERQLLIQLOAJH-ZJUUUORDSA-N -1 1 314.353 0.658 20 30 DCEDMM C[C@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)Cc2cncnc21 ZINC001576365069 1164316344 /nfs/dbraw/zinc/31/63/44/1164316344.db2.gz NVDGVCDJSPIMAI-QMMMGPOBSA-N -1 1 320.320 0.442 20 30 DCEDMM CC[C@H](C)C[C@H](CO)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001576641770 1164421909 /nfs/dbraw/zinc/42/19/09/1164421909.db2.gz QPPLJZZTYNGBEM-DTWKUNHWSA-N -1 1 302.342 0.737 20 30 DCEDMM CC[C@H](C)C[C@H](CO)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001576641770 1164421916 /nfs/dbraw/zinc/42/19/16/1164421916.db2.gz QPPLJZZTYNGBEM-DTWKUNHWSA-N -1 1 302.342 0.737 20 30 DCEDMM COC[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001579699566 1165379569 /nfs/dbraw/zinc/37/95/69/1165379569.db2.gz KXVFKGCBRXNPSZ-ZJUUUORDSA-N -1 1 316.325 0.134 20 30 DCEDMM COc1cc(C#N)ccc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001579888826 1165425321 /nfs/dbraw/zinc/42/53/21/1165425321.db2.gz QRCNOVNAFRBEBJ-UHFFFAOYSA-N -1 1 324.304 0.733 20 30 DCEDMM COc1cc(C#N)ccc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001579888826 1165425324 /nfs/dbraw/zinc/42/53/24/1165425324.db2.gz QRCNOVNAFRBEBJ-UHFFFAOYSA-N -1 1 324.304 0.733 20 30 DCEDMM Cn1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c(C2CC2)n1 ZINC001581764785 1165870774 /nfs/dbraw/zinc/87/07/74/1165870774.db2.gz PJYHCZRMGZSYCJ-UHFFFAOYSA-N -1 1 324.308 0.325 20 30 DCEDMM Cn1ncc2c1CCC[C@H]2Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001581834272 1165885767 /nfs/dbraw/zinc/88/57/67/1165885767.db2.gz ZYMQREBNYBAKCI-SECBINFHSA-N -1 1 322.336 0.751 20 30 DCEDMM Cn1ncc2c1CCCN(c1cnc(-c3nnn[n-]3)c(C#N)n1)C2 ZINC001581833821 1165886462 /nfs/dbraw/zinc/88/64/62/1165886462.db2.gz GSQQFBMLQRVDGN-UHFFFAOYSA-N -1 1 322.336 0.215 20 30 DCEDMM Cn1ncc2c1CCCN(c1cnc(-c3nn[n-]n3)c(C#N)n1)C2 ZINC001581833821 1165886468 /nfs/dbraw/zinc/88/64/68/1165886468.db2.gz GSQQFBMLQRVDGN-UHFFFAOYSA-N -1 1 322.336 0.215 20 30 DCEDMM N#Cc1[n-]c(NC(=O)c2ncc(F)cc2F)nc1-c1nn[nH]n1 ZINC001581860899 1165895231 /nfs/dbraw/zinc/89/52/31/1165895231.db2.gz YWZUAFKTRNPMRV-UHFFFAOYSA-N -1 1 317.219 0.387 20 30 DCEDMM N#Cc1ccc(Cn2cc(-c3nn[n-]n3)nn2)c(OC(F)F)c1 ZINC001581872033 1165896578 /nfs/dbraw/zinc/89/65/78/1165896578.db2.gz HRZAIBDZUOHAAQ-UHFFFAOYSA-N -1 1 318.247 0.980 20 30 DCEDMM N#Cc1nc(NCCC[C@H]2CCOC2=O)cnc1-c1nnn[n-]1 ZINC001581880477 1165899173 /nfs/dbraw/zinc/89/91/73/1165899173.db2.gz 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C[C@@H](O)C[C@@H]1CCCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001575479338 1164030647 /nfs/dbraw/zinc/03/06/47/1164030647.db2.gz ABOLESRMFGDDDV-ZJUUUORDSA-N -1 1 314.353 0.658 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1C(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001575795268 1164154946 /nfs/dbraw/zinc/15/49/46/1164154946.db2.gz ZPYSSAJZVNXJRH-YPMHNXCESA-N -1 1 319.361 0.614 20 30 DCEDMM CCCN(CC(=O)OCC)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001577576471 1164727754 /nfs/dbraw/zinc/72/77/54/1164727754.db2.gz YWHNDGHFFBSTCZ-UHFFFAOYSA-N -1 1 316.325 0.308 20 30 DCEDMM CCNC(=O)[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)C(C)C ZINC001578238547 1164957996 /nfs/dbraw/zinc/95/79/96/1164957996.db2.gz PWTUWPNFTRLLBS-JTQLQIEISA-N -1 1 315.341 0.101 20 30 DCEDMM CCNC(=O)[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)C(C)C ZINC001578238547 1164958002 /nfs/dbraw/zinc/95/80/02/1164958002.db2.gz PWTUWPNFTRLLBS-JTQLQIEISA-N -1 1 315.341 0.101 20 30 DCEDMM COc1ncc(NC(=O)N(C)C[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC001580134855 1165512114 /nfs/dbraw/zinc/51/21/14/1165512114.db2.gz NOTDZJMPBBSEFH-QMMMGPOBSA-N -1 1 316.325 0.894 20 30 DCEDMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ncc(C#N)cc2C)nn1C ZINC001580768994 1165714348 /nfs/dbraw/zinc/71/43/48/1165714348.db2.gz VNTCWAGCAOCBJX-UHFFFAOYSA-N -1 1 323.320 0.736 20 30 DCEDMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ncc(C#N)cc2C)nn1C ZINC001580768994 1165714356 /nfs/dbraw/zinc/71/43/56/1165714356.db2.gz VNTCWAGCAOCBJX-UHFFFAOYSA-N -1 1 323.320 0.736 20 30 DCEDMM Cc1cccc([C@H](O)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)c1 ZINC001581232960 1165803634 /nfs/dbraw/zinc/80/36/34/1165803634.db2.gz HKJXVUSPBJLFAY-GFCCVEGCSA-N -1 1 322.332 0.982 20 30 DCEDMM Cc1cccc([C@H](O)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)c1 ZINC001581232960 1165803642 /nfs/dbraw/zinc/80/36/42/1165803642.db2.gz HKJXVUSPBJLFAY-GFCCVEGCSA-N -1 1 322.332 0.982 20 30 DCEDMM Cc1cnn([C@@H]2CCN(c3cnc(-c4nnn[n-]4)c(C#N)n3)C2)c1 ZINC001581346344 1165817173 /nfs/dbraw/zinc/81/71/73/1165817173.db2.gz XNXVPFBKSAGDFP-SNVBAGLBSA-N -1 1 322.336 0.485 20 30 DCEDMM Cc1cnn([C@@H]2CCN(c3cnc(-c4nn[n-]n4)c(C#N)n3)C2)c1 ZINC001581346344 1165817180 /nfs/dbraw/zinc/81/71/80/1165817180.db2.gz XNXVPFBKSAGDFP-SNVBAGLBSA-N -1 1 322.336 0.485 20 30 DCEDMM Cc1nn(C)c(NC(=O)Cc2ccc(C#N)nc2)c1-c1nnn[n-]1 ZINC001581593793 1165846967 /nfs/dbraw/zinc/84/69/67/1165846967.db2.gz UAGDZJBCEXDQBO-UHFFFAOYSA-N -1 1 323.320 0.357 20 30 DCEDMM Cc1nn(C)c(NC(=O)Cc2ccc(C#N)nc2)c1-c1nn[n-]n1 ZINC001581593793 1165846973 /nfs/dbraw/zinc/84/69/73/1165846973.db2.gz UAGDZJBCEXDQBO-UHFFFAOYSA-N -1 1 323.320 0.357 20 30 DCEDMM N#CCN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccn1 ZINC001581858029 1165889388 /nfs/dbraw/zinc/88/93/88/1165889388.db2.gz OBPPPLDDIBBPIW-UHFFFAOYSA-N -1 1 320.316 0.756 20 30 DCEDMM N#CCN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccn1 ZINC001581858029 1165889395 /nfs/dbraw/zinc/88/93/95/1165889395.db2.gz OBPPPLDDIBBPIW-UHFFFAOYSA-N -1 1 320.316 0.756 20 30 DCEDMM N#CCCN(C(=O)Cn1cc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001581857673 1165890279 /nfs/dbraw/zinc/89/02/79/1165890279.db2.gz FQWCKDOYTNKXOA-UHFFFAOYSA-N -1 1 323.320 0.405 20 30 DCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2C[C@H]2c2cccnc2)nc1-c1nn[nH]n1 ZINC001581860734 1165891342 /nfs/dbraw/zinc/89/13/42/1165891342.db2.gz QPXDNABJWFXZFC-DTWKUNHWSA-N -1 1 321.304 0.599 20 30 DCEDMM N#Cc1[n-]c(NC(=O)CCc2ccc(O)cc2)nc1-c1nn[nH]n1 ZINC001581860112 1165892291 /nfs/dbraw/zinc/89/22/91/1165892291.db2.gz LAAMDEWOAGPFIP-UHFFFAOYSA-N -1 1 324.304 0.738 20 30 DCEDMM N#Cc1nc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)cnc1-c1nnn[n-]1 ZINC001581880353 1165898203 /nfs/dbraw/zinc/89/82/03/1165898203.db2.gz HNZXUNYTKYKIFU-FXPVBKGRSA-N -1 1 312.337 0.898 20 30 DCEDMM N#Cc1nc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)cnc1-c1nn[n-]n1 ZINC001581880353 1165898206 /nfs/dbraw/zinc/89/82/06/1165898206.db2.gz HNZXUNYTKYKIFU-FXPVBKGRSA-N -1 1 312.337 0.898 20 30 DCEDMM N#Cc1nc(N2CCc3ccc(O)cc3C2)cnc1-c1nnn[n-]1 ZINC001581879836 1165898556 /nfs/dbraw/zinc/89/85/56/1165898556.db2.gz ZUQZZOVDYNAKNX-UHFFFAOYSA-N -1 1 320.316 0.797 20 30 DCEDMM N#Cc1nc(N2CCc3ccc(O)cc3C2)cnc1-c1nn[n-]n1 ZINC001581879836 1165898562 /nfs/dbraw/zinc/89/85/62/1165898562.db2.gz ZUQZZOVDYNAKNX-UHFFFAOYSA-N -1 1 320.316 0.797 20 30 DCEDMM C#C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001588328862 1166524724 /nfs/dbraw/zinc/52/47/24/1166524724.db2.gz RZGSEZRMELGFHC-LBPRGKRZSA-N -1 1 323.353 0.942 20 30 DCEDMM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CCOCC1 ZINC001588330272 1166526107 /nfs/dbraw/zinc/52/61/07/1166526107.db2.gz YLKNOQNVURYOKN-SNVBAGLBSA-N -1 1 301.306 0.618 20 30 DCEDMM C#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCOCC1 ZINC001588330272 1166526111 /nfs/dbraw/zinc/52/61/11/1166526111.db2.gz YLKNOQNVURYOKN-SNVBAGLBSA-N -1 1 301.306 0.618 20 30 DCEDMM C(=Nn1nnc2c1CCCC2)c1nc(-c2nnn[n-]2)cs1 ZINC001588384485 1166548150 /nfs/dbraw/zinc/54/81/50/1166548150.db2.gz QNETWSQKWBEEJW-UHFFFAOYSA-N -1 1 301.339 0.676 20 30 DCEDMM C(=Nn1nnc2c1CCCC2)c1nc(-c2nn[n-]n2)cs1 ZINC001588384485 1166548156 /nfs/dbraw/zinc/54/81/56/1166548156.db2.gz QNETWSQKWBEEJW-UHFFFAOYSA-N -1 1 301.339 0.676 20 30 DCEDMM C=C[C@](C)(CC)C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001588494970 1166557798 /nfs/dbraw/zinc/55/77/98/1166557798.db2.gz ZJBXZNIWDHWVNJ-CQSZACIVSA-N -1 1 316.369 0.787 20 30 DCEDMM C=C[C@](C)(CC)C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001588494970 1166557807 /nfs/dbraw/zinc/55/78/07/1166557807.db2.gz ZJBXZNIWDHWVNJ-CQSZACIVSA-N -1 1 316.369 0.787 20 30 DCEDMM C=CCCC[C@@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001588594114 1166566230 /nfs/dbraw/zinc/56/62/30/1166566230.db2.gz LNXNGFFYUUVVEB-MRVPVSSYSA-N -1 1 305.342 0.823 20 30 DCEDMM C[C@H](CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)n1ccnc1 ZINC001589795205 1166687522 /nfs/dbraw/zinc/68/75/22/1166687522.db2.gz SXIDUVLIYVQAEZ-SSDOTTSWSA-N -1 1 312.297 0.248 20 30 DCEDMM C[C@@H]1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)c(C#N)n2)O1 ZINC001590241915 1166824538 /nfs/dbraw/zinc/82/45/38/1166824538.db2.gz IWDNITZRCKKWKA-BDAKNGLRSA-N -1 1 300.326 0.898 20 30 DCEDMM C[C@@H]1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)c(C#N)n2)O1 ZINC001590241915 1166824546 /nfs/dbraw/zinc/82/45/46/1166824546.db2.gz IWDNITZRCKKWKA-BDAKNGLRSA-N -1 1 300.326 0.898 20 30 DCEDMM CCN([C@H](C)C#N)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590676072 1166965516 /nfs/dbraw/zinc/96/55/16/1166965516.db2.gz AWACVJFVUJEDSQ-MRVPVSSYSA-N -1 1 324.341 0.928 20 30 DCEDMM CCn1ncnc1C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC001590971155 1167064035 /nfs/dbraw/zinc/06/40/35/1167064035.db2.gz QYYBCXZVTZJYOU-UHFFFAOYSA-N -1 1 313.325 0.139 20 30 DCEDMM CN(C(=O)Cn1cc(-c2nn[n-]n2)nn1)C1(C#N)CCCCC1 ZINC001590986218 1167066774 /nfs/dbraw/zinc/06/67/74/1167066774.db2.gz AUBHWQIBMMHTRJ-UHFFFAOYSA-N -1 1 315.341 0.143 20 30 DCEDMM COCc1nc(Cn2cnc(-c3nn[n-]n3)c2C#N)cs1 ZINC001591459062 1167294042 /nfs/dbraw/zinc/29/40/42/1167294042.db2.gz BXFCYFKGYAPSJT-UHFFFAOYSA-N -1 1 302.323 0.586 20 30 DCEDMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NC[C@H](C)C#N ZINC001591990424 1167430385 /nfs/dbraw/zinc/43/03/85/1167430385.db2.gz ORTWZLLMUWELKB-SSDOTTSWSA-N -1 1 324.341 0.752 20 30 DCEDMM N#Cc1cc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c[nH]1 ZINC001592688047 1167602217 /nfs/dbraw/zinc/60/22/17/1167602217.db2.gz VGFQPMOVKBMKGC-UHFFFAOYSA-N -1 1 309.293 0.919 20 30 DCEDMM N#Cc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)o1 ZINC001592690641 1167603028 /nfs/dbraw/zinc/60/30/28/1167603028.db2.gz OOAPCGQCLDMJSU-UHFFFAOYSA-N -1 1 301.291 0.718 20 30 DCEDMM N#Cc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)o1 ZINC001592690641 1167603029 /nfs/dbraw/zinc/60/30/29/1167603029.db2.gz OOAPCGQCLDMJSU-UHFFFAOYSA-N -1 1 301.291 0.718 20 30 DCEDMM N#Cc1nc(NCCSCCCO)cnc1-c1nnn[n-]1 ZINC001592707665 1167606892 /nfs/dbraw/zinc/60/68/92/1167606892.db2.gz UAMFXZTXPQWZRB-UHFFFAOYSA-N -1 1 306.355 0.056 20 30 DCEDMM N#Cc1nc(NCCSCCCO)cnc1-c1nn[n-]n1 ZINC001592707665 1167606895 /nfs/dbraw/zinc/60/68/95/1167606895.db2.gz UAMFXZTXPQWZRB-UHFFFAOYSA-N -1 1 306.355 0.056 20 30 DCEDMM O=C(C#CC1CC1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592766148 1167640005 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HWVHMCOQSHYXKP-UHFFFAOYSA-N -1 1 311.754 0.774 20 30 DCEDMM C=C(Br)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001588391234 1166550153 /nfs/dbraw/zinc/55/01/53/1166550153.db2.gz GQSNTJWYNNNWTB-UHFFFAOYSA-N -1 1 309.127 0.900 20 30 DCEDMM C=C(Br)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001588391234 1166550158 /nfs/dbraw/zinc/55/01/58/1166550158.db2.gz GQSNTJWYNNNWTB-UHFFFAOYSA-N -1 1 309.127 0.900 20 30 DCEDMM C=C(C)CCC(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001588415495 1166551788 /nfs/dbraw/zinc/55/17/88/1166551788.db2.gz LXFXFBFCSGWRDX-JTQLQIEISA-N -1 1 316.369 0.930 20 30 DCEDMM C=C(C)CCC(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001588415495 1166551793 /nfs/dbraw/zinc/55/17/93/1166551793.db2.gz LXFXFBFCSGWRDX-JTQLQIEISA-N -1 1 316.369 0.930 20 30 DCEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588401612 1166552257 /nfs/dbraw/zinc/55/22/57/1166552257.db2.gz VSTIHZSXYPHGHA-GXFFZTMASA-N -1 1 314.349 0.973 20 30 DCEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588401612 1166552266 /nfs/dbraw/zinc/55/22/66/1166552266.db2.gz VSTIHZSXYPHGHA-GXFFZTMASA-N -1 1 314.349 0.973 20 30 DCEDMM C=C(C)CCC(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588419816 1166553191 /nfs/dbraw/zinc/55/31/91/1166553191.db2.gz UOPDQYFLVAJKJD-JTQLQIEISA-N -1 1 316.369 0.352 20 30 DCEDMM C=CC[C@@H]1CCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001588563921 1166561794 /nfs/dbraw/zinc/56/17/94/1166561794.db2.gz FFDGQKDFOFOYKH-SNVBAGLBSA-N -1 1 320.378 0.848 20 30 DCEDMM C=CCCC(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001588573012 1166564297 /nfs/dbraw/zinc/56/42/97/1166564297.db2.gz YGBFMVYLQLSKOQ-JTQLQIEISA-N -1 1 316.369 0.930 20 30 DCEDMM C=CCCC(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001588573012 1166564303 /nfs/dbraw/zinc/56/43/03/1166564303.db2.gz YGBFMVYLQLSKOQ-JTQLQIEISA-N -1 1 316.369 0.930 20 30 DCEDMM C=CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001588664476 1166580177 /nfs/dbraw/zinc/58/01/77/1166580177.db2.gz ZSTBHRHEMFOXMA-UHFFFAOYSA-N -1 1 310.295 0.239 20 30 DCEDMM C=CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001588664476 1166580183 /nfs/dbraw/zinc/58/01/83/1166580183.db2.gz ZSTBHRHEMFOXMA-UHFFFAOYSA-N -1 1 310.295 0.239 20 30 DCEDMM CCC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC001590636108 1166957763 /nfs/dbraw/zinc/95/77/63/1166957763.db2.gz VMTLKVKIVSIDAN-VIFPVBQESA-N -1 1 315.341 0.274 20 30 DCEDMM CN(Cc1cccc(O)c1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001591147295 1167116717 /nfs/dbraw/zinc/11/67/17/1167116717.db2.gz DLWZLHQCKQBSAQ-UHFFFAOYSA-N -1 1 308.305 0.870 20 30 DCEDMM CO[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC[C@H]1C ZINC001591360016 1167232605 /nfs/dbraw/zinc/23/26/05/1167232605.db2.gz GRJBUGBJXSHMIK-PSASIEDQSA-N -1 1 300.326 0.390 20 30 DCEDMM COCC#CCN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001591362004 1167235639 /nfs/dbraw/zinc/23/56/39/1167235639.db2.gz QOYJJPXUXYEAGQ-UHFFFAOYSA-N -1 1 313.365 0.034 20 30 DCEDMM COCCON=C1CCCc2c1c[nH]c(=O)c2-c1nn[n-]n1 ZINC001591439605 1167289478 /nfs/dbraw/zinc/28/94/78/1167289478.db2.gz ONKQWQIWZFQFJV-UHFFFAOYSA-N -1 1 304.310 0.671 20 30 DCEDMM CON(C)C(=O)CCC(C)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC001591462459 1167297715 /nfs/dbraw/zinc/29/77/15/1167297715.db2.gz IYXFLRVWNPLMJS-UHFFFAOYSA-N -1 1 322.329 0.751 20 30 DCEDMM Cc1nn(Cc2nc(-c3nnn[n-]3)cs2)c(=O)c(C#N)c1C ZINC001592437294 1167521682 /nfs/dbraw/zinc/52/16/82/1167521682.db2.gz BGKUNYOMCGNPBT-UHFFFAOYSA-N -1 1 314.334 0.417 20 30 DCEDMM Cc1nn(Cc2nc(-c3nn[n-]n3)cs2)c(=O)c(C#N)c1C ZINC001592437294 1167521688 /nfs/dbraw/zinc/52/16/88/1167521688.db2.gz BGKUNYOMCGNPBT-UHFFFAOYSA-N -1 1 314.334 0.417 20 30 DCEDMM Cn1cc(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)c(C(F)F)n1 ZINC001592576889 1167568067 /nfs/dbraw/zinc/56/80/67/1167568067.db2.gz XGQWLYNVHQRCHL-UHFFFAOYSA-N -1 1 320.267 0.236 20 30 DCEDMM N#C[C@@]1(F)CCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)C1 ZINC001592670771 1167594235 /nfs/dbraw/zinc/59/42/35/1167594235.db2.gz NTHIPAMEUZNEAF-LBPRGKRZSA-N -1 1 321.703 0.993 20 30 DCEDMM N#CCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592680191 1167598709 /nfs/dbraw/zinc/59/87/09/1167598709.db2.gz QMIKNKILGMPQIQ-UHFFFAOYSA-N -1 1 306.289 0.975 20 30 DCEDMM N#CCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592680191 1167598713 /nfs/dbraw/zinc/59/87/13/1167598713.db2.gz QMIKNKILGMPQIQ-UHFFFAOYSA-N -1 1 306.289 0.975 20 30 DCEDMM N#Cc1ccc(OCCCn2cncc(-c3nn[n-]n3)c2=O)cc1 ZINC001592695768 1167602188 /nfs/dbraw/zinc/60/21/88/1167602188.db2.gz KMAXGEDYBCJBQT-UHFFFAOYSA-N -1 1 323.316 0.764 20 30 DCEDMM N#Cc1ccc(CC(=O)Cn2cc(-c3nn[n-]n3)ccc2=O)cc1 ZINC001592691837 1167602677 /nfs/dbraw/zinc/60/26/77/1167602677.db2.gz DXIVQKRURICEQB-UHFFFAOYSA-N -1 1 320.312 0.712 20 30 DCEDMM N#Cc1nc(N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cnc1-c1nnn[n-]1 ZINC001592706373 1167606929 /nfs/dbraw/zinc/60/69/29/1167606929.db2.gz WRVDPNIYDKSDKB-KXUCPTDWSA-N -1 1 312.337 0.126 20 30 DCEDMM N#Cc1nc(N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cnc1-c1nn[n-]n1 ZINC001592706373 1167606932 /nfs/dbraw/zinc/60/69/32/1167606932.db2.gz WRVDPNIYDKSDKB-KXUCPTDWSA-N -1 1 312.337 0.126 20 30 DCEDMM N#Cc1ncc(N2CCCc3n[nH]cc3C2)nc1-c1nn[n-]n1 ZINC001592708221 1167607105 /nfs/dbraw/zinc/60/71/05/1167607105.db2.gz BPNUIDCFASMECE-UHFFFAOYSA-N -1 1 308.309 0.204 20 30 DCEDMM N#Cc1nc(NCC#C[C@@H]2CCCCO2)cnc1-c1nnn[n-]1 ZINC001592707988 1167607904 /nfs/dbraw/zinc/60/79/04/1167607904.db2.gz NEUPFSPKXYFXLA-JTQLQIEISA-N -1 1 310.321 0.513 20 30 DCEDMM N#Cc1nc(NCC#C[C@@H]2CCCCO2)cnc1-c1nn[n-]n1 ZINC001592707988 1167607908 /nfs/dbraw/zinc/60/79/08/1167607908.db2.gz NEUPFSPKXYFXLA-JTQLQIEISA-N -1 1 310.321 0.513 20 30 DCEDMM N#Cc1ncc(NCCCC2(O)CCC2)nc1-c1nn[n-]n1 ZINC001592709827 1167610504 /nfs/dbraw/zinc/61/05/04/1167610504.db2.gz DTUMUVBSJPCJSN-UHFFFAOYSA-N -1 1 300.326 0.635 20 30 DCEDMM N#CC1(C(=O)[O-])CC[NH+](Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC001601052849 1168578491 /nfs/dbraw/zinc/57/84/91/1168578491.db2.gz YDZYCOVMHMTZOL-UHFFFAOYSA-N -1 1 301.306 0.213 20 30 DCEDMM C#CCCCCC(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001602709846 1169165611 /nfs/dbraw/zinc/16/56/11/1169165611.db2.gz KLLYJVDJJCWORQ-UHFFFAOYSA-N -1 1 314.353 0.378 20 30 DCEDMM C#CCCCCC(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001602709846 1169165615 /nfs/dbraw/zinc/16/56/15/1169165615.db2.gz KLLYJVDJJCWORQ-UHFFFAOYSA-N -1 1 314.353 0.378 20 30 DCEDMM C#CCN1CCCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001602721507 1169172240 /nfs/dbraw/zinc/17/22/40/1169172240.db2.gz MDJOTBZCRPSUMH-UHFFFAOYSA-N -1 1 300.322 0.241 20 30 DCEDMM C#CCN1CCCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001602721507 1169172244 /nfs/dbraw/zinc/17/22/44/1169172244.db2.gz MDJOTBZCRPSUMH-UHFFFAOYSA-N -1 1 300.322 0.241 20 30 DCEDMM C=CCCC(=O)NCCN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001602826128 1169188084 /nfs/dbraw/zinc/18/80/84/1169188084.db2.gz ABBUFIOZVUIVLE-UHFFFAOYSA-N -1 1 316.369 0.484 20 30 DCEDMM C=CCCC(=O)NCCN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001602826128 1169188087 /nfs/dbraw/zinc/18/80/87/1169188087.db2.gz ABBUFIOZVUIVLE-UHFFFAOYSA-N -1 1 316.369 0.484 20 30 DCEDMM C=CC[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C1 ZINC001602824961 1169188365 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CC1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CCC(=O)CC1 ZINC001603751324 1169379711 /nfs/dbraw/zinc/37/97/11/1169379711.db2.gz DKVMOKNZKVLSIP-UHFFFAOYSA-N -1 1 314.309 0.549 20 30 DCEDMM CC[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@@H](CC)O1 ZINC001604111896 1169494984 /nfs/dbraw/zinc/49/49/84/1169494984.db2.gz MNZSWGXYSVKYGJ-NXEZZACHSA-N -1 1 314.353 0.922 20 30 DCEDMM CC[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@@H](CC)O1 ZINC001604111896 1169494991 /nfs/dbraw/zinc/49/49/91/1169494991.db2.gz MNZSWGXYSVKYGJ-NXEZZACHSA-N -1 1 314.353 0.922 20 30 DCEDMM CCC[C@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001604152679 1169507343 /nfs/dbraw/zinc/50/73/43/1169507343.db2.gz NDGUWQYTTADGNZ-VIFPVBQESA-N -1 1 300.326 0.534 20 30 DCEDMM CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001604961516 1169764791 /nfs/dbraw/zinc/76/47/91/1169764791.db2.gz SZEDSWRDFJMXEL-SECBINFHSA-N -1 1 303.322 0.992 20 30 DCEDMM COc1cccc(O)c1C=NCCn1cnc(-c2nn[n-]n2)n1 ZINC001605321386 1169893058 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/nfs/dbraw/zinc/15/68/81/1159156881.db2.gz DNEFHLVJKNGCMS-QWHCGFSZSA-N -1 1 321.425 0.791 20 30 DCEDMM C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001565825985 1159900057 /nfs/dbraw/zinc/90/00/57/1159900057.db2.gz CQASQRJZXHHCMO-BLLLJJGKSA-N -1 1 321.425 0.743 20 30 DCEDMM C=C(C)CCC(=O)N(C)C[C@H](O)CNC(=O)c1ncccc1[O-] ZINC001572477786 1163195539 /nfs/dbraw/zinc/19/55/39/1163195539.db2.gz MTDJIQYANUCLSR-GFCCVEGCSA-N -1 1 321.377 0.693 20 30 DCEDMM N#Cc1c[n-]n2c1nc(C[N@@H+]1[C@@H]3CC[C@@H](C3)[C@H]1C(=O)[O-])cc2=O ZINC001574249674 1163674876 /nfs/dbraw/zinc/67/48/76/1163674876.db2.gz ZPUCUFSZLXHMJK-KDDOJWQBSA-N -1 1 313.317 0.744 20 30 DCEDMM C[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)[C@H](O)C(F)(F)F ZINC001575444920 1164017942 /nfs/dbraw/zinc/01/79/42/1164017942.db2.gz NOHBUUFDUPUPEZ-VHWMUFPASA-N -1 1 314.231 0.252 20 30 DCEDMM CCC1(CO)CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001577113921 1164607021 /nfs/dbraw/zinc/60/70/21/1164607021.db2.gz KGPNJDGCYPOZEZ-UHFFFAOYSA-N -1 1 314.353 0.517 20 30 DCEDMM CCCC[C@H](O)CCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001577491647 1164704332 /nfs/dbraw/zinc/70/43/32/1164704332.db2.gz UBXIEUXRICHCGU-QMMMGPOBSA-N -1 1 318.341 0.731 20 30 DCEDMM CN(CC1=CCSC1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579063459 1165197316 /nfs/dbraw/zinc/19/73/16/1165197316.db2.gz CHJIDCLKNICEFY-UHFFFAOYSA-N -1 1 300.351 0.638 20 30 DCEDMM CN(CC1=CCSC1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579063459 1165197318 /nfs/dbraw/zinc/19/73/18/1165197318.db2.gz CHJIDCLKNICEFY-UHFFFAOYSA-N -1 1 300.351 0.638 20 30 DCEDMM COC(=O)C[C@@H]1CCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001579448047 1165312959 /nfs/dbraw/zinc/31/29/59/1165312959.db2.gz WYCNBYINUJBGBA-QMMMGPOBSA-N -1 1 314.309 0.060 20 30 DCEDMM CO[C@@H]1[C@H]2C[C@H]3CN(c4cnc(C#N)c(-c5nn[n-]n5)n4)[C@H]1[C@H]3C2 ZINC001579602180 1165357914 /nfs/dbraw/zinc/35/79/14/1165357914.db2.gz BLALQOANYFLWJV-CZKZMCHXSA-N -1 1 324.348 0.388 20 30 DCEDMM C[C@@](O)(C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1 ZINC001580390159 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N#Cc1nc(N[C@@H]2c3ccccc3C[C@H]2O)cnc1-c1nnn[n-]1 ZINC001581880599 1165898886 /nfs/dbraw/zinc/89/88/86/1165898886.db2.gz PPGBBGLPIJJCKD-DGCLKSJQSA-N -1 1 320.316 0.599 20 30 DCEDMM N#Cc1nc(N[C@@H]2c3ccccc3C[C@H]2O)cnc1-c1nn[n-]n1 ZINC001581880599 1165898892 /nfs/dbraw/zinc/89/88/92/1165898892.db2.gz PPGBBGLPIJJCKD-DGCLKSJQSA-N -1 1 320.316 0.599 20 30 DCEDMM N#Cc1nc(N2CC[C@@H](c3cccnc3)C2)cnc1-c1nnn[n-]1 ZINC001581879673 1165899947 /nfs/dbraw/zinc/89/99/47/1165899947.db2.gz TUTGHKYQIHUAOP-LLVKDONJSA-N -1 1 319.332 0.917 20 30 DCEDMM N#Cc1nc(N2CC[C@@H](c3cccnc3)C2)cnc1-c1nn[n-]n1 ZINC001581879673 1165899949 /nfs/dbraw/zinc/89/99/49/1165899949.db2.gz TUTGHKYQIHUAOP-LLVKDONJSA-N -1 1 319.332 0.917 20 30 DCEDMM N#Cc1nc(N[C@@H]2CCC3(C2)OCCO3)cnc1-c1nnn[n-]1 ZINC001581880179 1165900006 /nfs/dbraw/zinc/90/00/06/1165900006.db2.gz BZSVFPMWFNNVPV-MRVPVSSYSA-N -1 1 314.309 0.236 20 30 DCEDMM N#Cc1nc(N[C@@H]2CCC3(C2)OCCO3)cnc1-c1nn[n-]n1 ZINC001581880179 1165900009 /nfs/dbraw/zinc/90/00/09/1165900009.db2.gz BZSVFPMWFNNVPV-MRVPVSSYSA-N -1 1 314.309 0.236 20 30 DCEDMM N#Cc1ncc(N2CCC(c3ncco3)CC2)nc1-c1nn[n-]n1 ZINC001581882393 1165901626 /nfs/dbraw/zinc/90/16/26/1165901626.db2.gz WUQIQHZURXXPLE-UHFFFAOYSA-N -1 1 323.320 0.900 20 30 DCEDMM N#Cc1ncc(N[C@H](CO)C2CCCCC2)nc1-c1nn[n-]n1 ZINC001581883235 1165901816 /nfs/dbraw/zinc/90/18/16/1165901816.db2.gz SLKPJZROOUCHTC-LLVKDONJSA-N -1 1 314.353 0.881 20 30 DCEDMM C#CC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)CC1 ZINC001588333245 1166530444 /nfs/dbraw/zinc/53/04/44/1166530444.db2.gz IOSKZFKOVGSUIY-UHFFFAOYSA-N -1 1 301.306 0.368 20 30 DCEDMM C#CC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)CC1 ZINC001588333245 1166530448 /nfs/dbraw/zinc/53/04/48/1166530448.db2.gz IOSKZFKOVGSUIY-UHFFFAOYSA-N -1 1 301.306 0.368 20 30 DCEDMM C#CCC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)CC1 ZINC001588335464 1166533444 /nfs/dbraw/zinc/53/34/44/1166533444.db2.gz NHOHAWZEAJMCHR-UHFFFAOYSA-N -1 1 315.333 0.759 20 30 DCEDMM C#CCC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)CC1 ZINC001588335464 1166533449 /nfs/dbraw/zinc/53/34/49/1166533449.db2.gz NHOHAWZEAJMCHR-UHFFFAOYSA-N -1 1 315.333 0.759 20 30 DCEDMM C#CC[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001588337664 1166534309 /nfs/dbraw/zinc/53/43/09/1166534309.db2.gz UPOJGIHYEJBZQB-SECBINFHSA-N -1 1 323.403 0.962 20 30 DCEDMM C#CC[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001588337664 1166534318 /nfs/dbraw/zinc/53/43/18/1166534318.db2.gz UPOJGIHYEJBZQB-SECBINFHSA-N -1 1 323.403 0.962 20 30 DCEDMM C#CC[C@@H]1CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001588337932 1166536309 /nfs/dbraw/zinc/53/63/09/1166536309.db2.gz YWNOGTHKBRWQLF-SECBINFHSA-N -1 1 317.378 0.878 20 30 DCEDMM C#CC[C@@H]1CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001588337932 1166536316 /nfs/dbraw/zinc/53/63/16/1166536316.db2.gz YWNOGTHKBRWQLF-SECBINFHSA-N -1 1 317.378 0.878 20 30 DCEDMM C#CCCCC(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001588340615 1166536434 /nfs/dbraw/zinc/53/64/34/1166536434.db2.gz XWXGVDWLVRZRGK-UHFFFAOYSA-N -1 1 314.353 0.013 20 30 DCEDMM C#CCCCC(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001588340615 1166536442 /nfs/dbraw/zinc/53/64/42/1166536442.db2.gz XWXGVDWLVRZRGK-UHFFFAOYSA-N -1 1 314.353 0.013 20 30 DCEDMM C#CCN(CC#N)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588350397 1166539889 /nfs/dbraw/zinc/53/98/89/1166539889.db2.gz TYEXUIDJKDBIAK-UHFFFAOYSA-N -1 1 301.697 0.514 20 30 DCEDMM C#CCN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001588349933 1166540665 /nfs/dbraw/zinc/54/06/65/1166540665.db2.gz SOEHHQRINGHRST-UHFFFAOYSA-N -1 1 309.376 0.715 20 30 DCEDMM C#CCN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001588349933 1166540672 /nfs/dbraw/zinc/54/06/72/1166540672.db2.gz SOEHHQRINGHRST-UHFFFAOYSA-N -1 1 309.376 0.715 20 30 DCEDMM C#CCOCCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001588363450 1166545481 /nfs/dbraw/zinc/54/54/81/1166545481.db2.gz GTUFQAJLXKOQEC-UHFFFAOYSA-N -1 1 313.317 0.197 20 30 DCEDMM C#CCOC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001588356935 1166546927 /nfs/dbraw/zinc/54/69/27/1166546927.db2.gz HCTNCKFNAOHLKO-UHFFFAOYSA-N -1 1 316.321 0.556 20 30 DCEDMM C=C(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC001588404624 1166552391 /nfs/dbraw/zinc/55/23/91/1166552391.db2.gz JNSRVJNPNKRVPK-NSHDSACASA-N -1 1 316.321 0.499 20 30 DCEDMM C=C(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC001588404624 1166552398 /nfs/dbraw/zinc/55/23/98/1166552398.db2.gz JNSRVJNPNKRVPK-NSHDSACASA-N -1 1 316.321 0.499 20 30 DCEDMM C=CC(C)(C)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001588469187 1166557160 /nfs/dbraw/zinc/55/71/60/1166557160.db2.gz YBZIOJKTTBJWKF-UHFFFAOYSA-N -1 1 316.369 0.739 20 30 DCEDMM C=CC(C)(C)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001588469187 1166557164 /nfs/dbraw/zinc/55/71/64/1166557164.db2.gz YBZIOJKTTBJWKF-UHFFFAOYSA-N -1 1 316.369 0.739 20 30 DCEDMM C=CCCC(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001588571985 1166564088 /nfs/dbraw/zinc/56/40/88/1166564088.db2.gz VGCRVDKOCABUHV-VHSXEESVSA-N -1 1 316.369 0.928 20 30 DCEDMM C=CCCC(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001588571985 1166564099 /nfs/dbraw/zinc/56/40/99/1166564099.db2.gz VGCRVDKOCABUHV-VHSXEESVSA-N -1 1 316.369 0.928 20 30 DCEDMM C=CCCC(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588572364 1166566248 /nfs/dbraw/zinc/56/62/48/1166566248.db2.gz GHKTWURANIVYRO-SNAWJCMRSA-N -1 1 314.353 0.707 20 30 DCEDMM C=CCCC(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588572364 1166566252 /nfs/dbraw/zinc/56/62/52/1166566252.db2.gz GHKTWURANIVYRO-SNAWJCMRSA-N -1 1 314.353 0.707 20 30 DCEDMM C[C@@H](C(=O)N1CCC(C)(C#N)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588949217 1166621513 /nfs/dbraw/zinc/62/15/13/1166621513.db2.gz UDYVJUWDRVNLPB-VIFPVBQESA-N -1 1 315.341 0.171 20 30 DCEDMM C[C@@]1(C#N)CCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001590055051 1166760951 /nfs/dbraw/zinc/76/09/51/1166760951.db2.gz OXKPRJSMDDQTKZ-LBPRGKRZSA-N -1 1 319.350 0.186 20 30 DCEDMM C[C@@H]1CC(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC001590209302 1166816303 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/nfs/dbraw/zinc/53/54/65/947535465.db2.gz KDJTULXUEBMBLZ-SECBINFHSA-N -1 1 305.302 0.636 20 30 DCEDMM C=CC[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)C(=O)[O-] ZINC001262175553 947591686 /nfs/dbraw/zinc/59/16/86/947591686.db2.gz KJUHLNVBCGFJBN-UPJWGTAASA-N -1 1 313.398 0.814 20 30 DCEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001263287327 947828281 /nfs/dbraw/zinc/82/82/81/947828281.db2.gz DWCIVUZKRWOCNJ-MNOVXSKESA-N -1 1 316.369 0.650 20 30 DCEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001263287327 947828283 /nfs/dbraw/zinc/82/82/83/947828283.db2.gz DWCIVUZKRWOCNJ-MNOVXSKESA-N -1 1 316.369 0.650 20 30 DCEDMM C=CCC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1ncccc1[O-] ZINC001487996589 948461863 /nfs/dbraw/zinc/46/18/63/948461863.db2.gz WGBMWARWFJXFCJ-LLVKDONJSA-N -1 1 321.377 0.596 20 30 DCEDMM C=CCOCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001488181840 948591315 /nfs/dbraw/zinc/59/13/15/948591315.db2.gz ZKZLRSUNMIOLAH-NWDGAFQWSA-N -1 1 319.361 0.709 20 30 DCEDMM Cc1c(-c2nnn[n-]2)c(NC(=O)Cc2cccc(C#N)c2)nn1C ZINC001570932299 948854212 /nfs/dbraw/zinc/85/42/12/948854212.db2.gz PPUNAXNDRFLKAE-UHFFFAOYSA-N -1 1 322.332 0.962 20 30 DCEDMM Cc1c(-c2nn[n-]n2)c(NC(=O)Cc2cccc(C#N)c2)nn1C ZINC001570932299 948854217 /nfs/dbraw/zinc/85/42/17/948854217.db2.gz PPUNAXNDRFLKAE-UHFFFAOYSA-N -1 1 322.332 0.962 20 30 DCEDMM C[C@@]1(C(F)F)CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCO1 ZINC001570932728 948863409 /nfs/dbraw/zinc/86/34/09/948863409.db2.gz XEOPXGREHDVCDM-LBPRGKRZSA-N -1 1 322.279 0.389 20 30 DCEDMM C[C@@]1(C(F)F)CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCO1 ZINC001570932728 948863424 /nfs/dbraw/zinc/86/34/24/948863424.db2.gz XEOPXGREHDVCDM-LBPRGKRZSA-N -1 1 322.279 0.389 20 30 DCEDMM C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001264717876 949087751 /nfs/dbraw/zinc/08/77/51/949087751.db2.gz OATOMHOFIFAPOF-WQGACYEGSA-N -1 1 321.425 0.790 20 30 DCEDMM CC(C)(C)C#CC(=O)NCCNc1nccnc1-c1nnn[n-]1 ZINC001573792650 949261306 /nfs/dbraw/zinc/26/13/06/949261306.db2.gz 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950386990 /nfs/dbraw/zinc/38/69/90/950386990.db2.gz UHOBZGVFGQMVHI-MRVPVSSYSA-N -1 1 300.340 0.367 20 30 DCEDMM CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(C(=O)OC)[n-]n1 ZINC001365032997 950387006 /nfs/dbraw/zinc/38/70/06/950387006.db2.gz UHOBZGVFGQMVHI-MRVPVSSYSA-N -1 1 300.340 0.367 20 30 DCEDMM C=CCCC[C@@H](NC(=O)NC[C@@H]1CN(C)CCN1C)C(=O)[O-] ZINC001332133932 951495047 /nfs/dbraw/zinc/49/50/47/951495047.db2.gz YECHWMKFTMCUCZ-CHWSQXEVSA-N -1 1 312.414 0.341 20 30 DCEDMM Cc1nn(C)c(C)c1[C@@H](O)C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC001365748530 951500717 /nfs/dbraw/zinc/50/07/17/951500717.db2.gz GZLZIGQDHHWWJW-NSHDSACASA-N -1 1 324.362 0.514 20 30 DCEDMM C[C@@H](CO[C@@H]1CCOC1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001575177769 952404232 /nfs/dbraw/zinc/40/42/32/952404232.db2.gz MRBDPSFWZDSLRD-DTWKUNHWSA-N -1 1 316.325 0.134 20 30 DCEDMM N#CC1(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)CCOCC1 ZINC001412040282 952615331 /nfs/dbraw/zinc/61/53/31/952615331.db2.gz FXILAVKGKMRLMH-SNVBAGLBSA-N -1 1 322.394 0.527 20 30 DCEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC001339091483 953072138 /nfs/dbraw/zinc/07/21/38/953072138.db2.gz UXUCAHCXXNAZKF-ZJUUUORDSA-N -1 1 304.358 0.648 20 30 DCEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC001339091483 953072142 /nfs/dbraw/zinc/07/21/42/953072142.db2.gz UXUCAHCXXNAZKF-ZJUUUORDSA-N -1 1 304.358 0.648 20 30 DCEDMM C=CCn1c(-c2nnn[n-]2)nnc1N1CC[C@@H](COCC)C1 ZINC001339210743 953080907 /nfs/dbraw/zinc/08/09/07/953080907.db2.gz KWOBCVFMTZSRPJ-SNVBAGLBSA-N -1 1 304.358 0.507 20 30 DCEDMM C=CCn1c(-c2nn[n-]n2)nnc1N1CC[C@@H](COCC)C1 ZINC001339210743 953080909 /nfs/dbraw/zinc/08/09/09/953080909.db2.gz KWOBCVFMTZSRPJ-SNVBAGLBSA-N -1 1 304.358 0.507 20 30 DCEDMM C=CC[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)OCC ZINC001342434453 953289537 /nfs/dbraw/zinc/28/95/37/953289537.db2.gz OGUHYERJSBBKDV-MRVPVSSYSA-N -1 1 321.786 0.860 20 30 DCEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N(CCF)CCOC ZINC001342699334 953303146 /nfs/dbraw/zinc/30/31/46/953303146.db2.gz KTZKTJIORIVOKL-UHFFFAOYSA-N -1 1 324.364 0.380 20 30 DCEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N(CCF)CCOC ZINC001342699334 953303150 /nfs/dbraw/zinc/30/31/50/953303150.db2.gz KTZKTJIORIVOKL-UHFFFAOYSA-N -1 1 324.364 0.380 20 30 DCEDMM C#CCN(C)c1nnc(-c2nc(Cl)n[n-]2)n1C[C@H]1CCCO1 ZINC001343136448 953324048 /nfs/dbraw/zinc/32/40/48/953324048.db2.gz HUTLBRDVNNIQJK-SECBINFHSA-N -1 1 321.772 0.965 20 30 DCEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001343415175 953344187 /nfs/dbraw/zinc/34/41/87/953344187.db2.gz ADYLHSACWCLQAT-AOOOYVTPSA-N -1 1 302.342 0.402 20 30 DCEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001343415175 953344191 /nfs/dbraw/zinc/34/41/91/953344191.db2.gz ADYLHSACWCLQAT-AOOOYVTPSA-N -1 1 302.342 0.402 20 30 DCEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N(C)C[C@H]1CCOC1 ZINC001343474709 953348968 /nfs/dbraw/zinc/34/89/68/953348968.db2.gz XWXFFVLMVNAKJD-LLVKDONJSA-N -1 1 318.385 0.431 20 30 DCEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N(C)C[C@H]1CCOC1 ZINC001343474709 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CC(C)C#CC(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001285223323 955529195 /nfs/dbraw/zinc/52/91/95/955529195.db2.gz XEAKWUKLLPZPNQ-GFCCVEGCSA-N -1 1 303.362 0.929 20 30 DCEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC001361905667 958472431 /nfs/dbraw/zinc/47/24/31/958472431.db2.gz YDWVVVRSBJLCAI-YPMHNXCESA-N -1 1 317.393 0.331 20 30 DCEDMM COC(=O)c1coc(C[N-]S(=O)(=O)c2ccc(C#N)nc2)n1 ZINC001463996447 1013187092 /nfs/dbraw/zinc/18/70/92/1013187092.db2.gz QBJYVAMKVUXRNX-UHFFFAOYSA-N -1 1 322.302 0.206 20 30 DCEDMM C=C(C)CCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001316784005 960376875 /nfs/dbraw/zinc/37/68/75/960376875.db2.gz YXUOPPYBMZTCBR-NEPJUHHUSA-N -1 1 307.398 0.544 20 30 DCEDMM N#Cc1c[n-]n2c1nc(CN1CCN(CCCF)CC1)cc2=O ZINC001363264236 960734927 /nfs/dbraw/zinc/73/49/27/960734927.db2.gz AXDXGRKRDXVIRQ-UHFFFAOYSA-N -1 1 318.356 0.784 20 30 DCEDMM COC(=O)c1cccc(CN[C@H]2CCO[C@H]2C(=O)[O-])c1C#N ZINC001571086113 961065592 /nfs/dbraw/zinc/06/55/92/961065592.db2.gz 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N#Cc1ncc(N2CCCC[C@H]2c2cc[nH]n2)nc1-c1nn[n-]n1 ZINC001581882181 1165902443 /nfs/dbraw/zinc/90/24/43/1165902443.db2.gz OIZFOADZYFNXCO-NSHDSACASA-N -1 1 322.336 0.983 20 30 DCEDMM C#C[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)C1CCOCC1 ZINC001588328771 1166522864 /nfs/dbraw/zinc/52/28/64/1166522864.db2.gz QBWBDNVSCASPJS-JTQLQIEISA-N -1 1 310.321 0.369 20 30 DCEDMM C#C[C@@H](NS(=O)(=O)c1cccnc1-c1nn[n-]n1)C(C)(C)C ZINC001588328596 1166522983 /nfs/dbraw/zinc/52/29/83/1166522983.db2.gz LPFNZZZZYKLBDD-SNVBAGLBSA-N -1 1 320.378 0.588 20 30 DCEDMM C#C[C@@H]1CCCC[C@H]1OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588332802 1166528356 /nfs/dbraw/zinc/52/83/56/1166528356.db2.gz SKLUSBWDIDPTQD-GMTAPVOTSA-N -1 1 315.337 0.754 20 30 DCEDMM C#C[C@@H]1CCCCN1C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588332930 1166528639 /nfs/dbraw/zinc/52/86/39/1166528639.db2.gz WJCOHRWBJGAEQT-VHSXEESVSA-N -1 1 300.326 0.034 20 30 DCEDMM C=C(C)C[C@H](CO)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001588405455 1166550781 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N#Cc1c(-c2nn[n-]n2)ncn1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001581860667 1165892824 /nfs/dbraw/zinc/89/28/24/1165892824.db2.gz MNPHYWIFPIXOIB-IINYFYTJSA-N -1 1 315.337 0.663 20 30 DCEDMM N#CCOc1ccc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001581858886 1165893206 /nfs/dbraw/zinc/89/32/06/1165893206.db2.gz ZUAMOHIDIFFOPR-UHFFFAOYSA-N -1 1 324.304 0.673 20 30 DCEDMM N#CCOc1ccc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001581858886 1165893214 /nfs/dbraw/zinc/89/32/14/1165893214.db2.gz ZUAMOHIDIFFOPR-UHFFFAOYSA-N -1 1 324.304 0.673 20 30 DCEDMM N#Cc1ccccc1OCCn1cnc(-c2nn[n-]n2)cc1=O ZINC001581876240 1165896198 /nfs/dbraw/zinc/89/61/98/1165896198.db2.gz KSYGCCQFFZJGRJ-UHFFFAOYSA-N -1 1 309.289 0.374 20 30 DCEDMM N#Cc1cccc(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001581874802 1165896425 /nfs/dbraw/zinc/89/64/25/1165896425.db2.gz ISUPIUKCDMAIMS-UHFFFAOYSA-N -1 1 319.328 0.992 20 30 DCEDMM N#Cc1cccc(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001581874802 1165896428 /nfs/dbraw/zinc/89/64/28/1165896428.db2.gz ISUPIUKCDMAIMS-UHFFFAOYSA-N -1 1 319.328 0.992 20 30 DCEDMM N#Cc1nc(NC[C@]23C[C@H]2COC32CCC2)cnc1-c1nnn[n-]1 ZINC001581881067 1165901424 /nfs/dbraw/zinc/90/14/24/1165901424.db2.gz HTVCBTQYRVNTSM-LKFCYVNXSA-N -1 1 324.348 0.899 20 30 DCEDMM N#Cc1nc(NC[C@]23C[C@H]2COC32CCC2)cnc1-c1nn[n-]n1 ZINC001581881067 1165901432 /nfs/dbraw/zinc/90/14/32/1165901432.db2.gz HTVCBTQYRVNTSM-LKFCYVNXSA-N -1 1 324.348 0.899 20 30 DCEDMM C#CCOCCC(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001582832268 1166104956 /nfs/dbraw/zinc/10/49/56/1166104956.db2.gz KZSQKEUWORIUMX-GFCCVEGCSA-N -1 1 319.361 0.309 20 30 DCEDMM C#CCOCCC(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001582832269 1166105353 /nfs/dbraw/zinc/10/53/53/1166105353.db2.gz KZSQKEUWORIUMX-LBPRGKRZSA-N -1 1 319.361 0.309 20 30 DCEDMM C=CCn1cc(C(=O)Nc2nc3nc(CC)cc(=O)n3[n-]2)nn1 ZINC001587187676 1166505942 /nfs/dbraw/zinc/50/59/42/1166505942.db2.gz AEATVUPHRUKZQT-UHFFFAOYSA-N -1 1 314.309 0.010 20 30 DCEDMM C#CC[C@H](COC)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001588333694 1166528553 /nfs/dbraw/zinc/52/85/53/1166528553.db2.gz BOMXUYKMJWZLCD-SECBINFHSA-N -1 1 320.378 0.766 20 30 DCEDMM C#Cc1cncc(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)c1 ZINC001588380268 1166549589 /nfs/dbraw/zinc/54/95/89/1166549589.db2.gz ZHNHILHPKNIXJP-UHFFFAOYSA-N -1 1 321.300 0.899 20 30 DCEDMM C=CC(C)(C)C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588478107 1166557494 /nfs/dbraw/zinc/55/74/94/1166557494.db2.gz ULIQWYSALAZTCW-UHFFFAOYSA-N -1 1 316.369 0.787 20 30 DCEDMM C=CC(C)(C)C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588478107 1166557501 /nfs/dbraw/zinc/55/75/01/1166557501.db2.gz ULIQWYSALAZTCW-UHFFFAOYSA-N -1 1 316.369 0.787 20 30 DCEDMM C=CCCC(=O)N(C)CCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588562994 1166562093 /nfs/dbraw/zinc/56/20/93/1166562093.db2.gz VOUAZLKJWCTUCM-UHFFFAOYSA-N -1 1 316.369 0.883 20 30 DCEDMM C=CCCC(=O)N(C)CCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588562994 1166562107 /nfs/dbraw/zinc/56/21/07/1166562107.db2.gz VOUAZLKJWCTUCM-UHFFFAOYSA-N -1 1 316.369 0.883 20 30 DCEDMM C=CCCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001588566049 1166563211 /nfs/dbraw/zinc/56/32/11/1166563211.db2.gz BUVGKBNRGSJIDA-SNVBAGLBSA-N -1 1 314.353 0.636 20 30 DCEDMM C=CCCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001588566049 1166563214 /nfs/dbraw/zinc/56/32/14/1166563214.db2.gz BUVGKBNRGSJIDA-SNVBAGLBSA-N -1 1 314.353 0.636 20 30 DCEDMM C=CCN(CCOC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001588632676 1166574688 /nfs/dbraw/zinc/57/46/88/1166574688.db2.gz YNYLAQRFMGDGOM-UHFFFAOYSA-N -1 1 324.366 0.085 20 30 DCEDMM C=CCN(CCOC)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001588632676 1166574696 /nfs/dbraw/zinc/57/46/96/1166574696.db2.gz YNYLAQRFMGDGOM-UHFFFAOYSA-N -1 1 324.366 0.085 20 30 DCEDMM C[C@H](C(=O)OCCC(C)(C)C#N)n1cnc(-c2nn[n-]n2)n1 ZINC001589027320 1166631981 /nfs/dbraw/zinc/63/19/81/1166631981.db2.gz NDEYFIMAPRSFTN-MRVPVSSYSA-N -1 1 304.314 0.502 20 30 DCEDMM C[C@@H](Cc1ccncc1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589901674 1166713260 /nfs/dbraw/zinc/71/32/60/1166713260.db2.gz CCNVQRJZYJVDNA-VIFPVBQESA-N -1 1 307.321 0.966 20 30 DCEDMM CC(Cl)(Cl)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001589904280 1166713993 /nfs/dbraw/zinc/71/39/93/1166713993.db2.gz KUALRKIJQGAFKI-UHFFFAOYSA-N -1 1 301.097 0.594 20 30 DCEDMM CC1(C)CC(=O)CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001590079916 1166768491 /nfs/dbraw/zinc/76/84/91/1166768491.db2.gz GRXOZWCNGSKSGD-UHFFFAOYSA-N -1 1 312.337 0.724 20 30 DCEDMM CC1(C)CC(=O)CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001590079916 1166768497 /nfs/dbraw/zinc/76/84/97/1166768497.db2.gz GRXOZWCNGSKSGD-UHFFFAOYSA-N -1 1 312.337 0.724 20 30 DCEDMM C[C@@]1(O)CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 ZINC001590150696 1166789389 /nfs/dbraw/zinc/78/93/89/1166789389.db2.gz MCPXCKSRLSIWTD-CYBMUJFWSA-N -1 1 300.326 0.270 20 30 DCEDMM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)O1 ZINC001590189450 1166802745 /nfs/dbraw/zinc/80/27/45/1166802745.db2.gz CRZIUZJCXXBGAT-HCVRKRLWSA-N -1 1 302.298 0.213 20 30 DCEDMM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)O1 ZINC001590189451 1166803833 /nfs/dbraw/zinc/80/38/33/1166803833.db2.gz CRZIUZJCXXBGAT-KCRUCZTKSA-N -1 1 302.298 0.213 20 30 DCEDMM C[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001590209300 1166814720 /nfs/dbraw/zinc/81/47/20/1166814720.db2.gz LNKWIOYKUSJWOS-AYMMMOKOSA-N -1 1 300.326 0.896 20 30 DCEDMM C[C@H]1CC2(CC(Nc3cnc(C#N)c(-c4nn[n-]n4)n3)C2)CO1 ZINC001590224687 1166819950 /nfs/dbraw/zinc/81/99/50/1166819950.db2.gz XWQGRCYUXGUCIY-JUXJKVCFSA-N -1 1 312.337 0.898 20 30 DCEDMM CCC[C@@H](C)[C@H](CO)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590548211 1166942373 /nfs/dbraw/zinc/94/23/73/1166942373.db2.gz PGXGZQSSULBRMN-SCZZXKLOSA-N -1 1 302.342 0.737 20 30 DCEDMM CCC[C@@H](CCO)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590556822 1166942794 /nfs/dbraw/zinc/94/27/94/1166942794.db2.gz ZCAMPGAQBBXZTN-VIFPVBQESA-N -1 1 302.342 0.739 20 30 DCEDMM CCC[C@@H](CCO)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590556822 1166942799 /nfs/dbraw/zinc/94/27/99/1166942799.db2.gz ZCAMPGAQBBXZTN-VIFPVBQESA-N -1 1 302.342 0.739 20 30 DCEDMM CCN(C[C@@H]1CCOC1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590691345 1166973289 /nfs/dbraw/zinc/97/32/89/1166973289.db2.gz XJJBQVQMOKGQKS-VIFPVBQESA-N -1 1 300.326 0.391 20 30 DCEDMM CCN(C[C@@H]1CCOC1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590691345 1166973297 /nfs/dbraw/zinc/97/32/97/1166973297.db2.gz XJJBQVQMOKGQKS-VIFPVBQESA-N -1 1 300.326 0.391 20 30 DCEDMM CCOC(=O)c1cnn(CC2(CC#N)CC2)c1-c1nn[n-]n1 ZINC001590776101 1167016985 /nfs/dbraw/zinc/01/69/85/1167016985.db2.gz GBEZRCPHONRLMM-UHFFFAOYSA-N -1 1 301.310 0.934 20 30 DCEDMM COC(=O)[C@@H]1CCCC[C@@H]1Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001591254475 1167178849 /nfs/dbraw/zinc/17/88/49/1167178849.db2.gz IWNIJXUDYBGNKW-NXEZZACHSA-N -1 1 315.337 0.914 20 30 DCEDMM COC(=O)c1ccc(Cn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC001591292714 1167204212 /nfs/dbraw/zinc/20/42/12/1167204212.db2.gz GKVMHRLCYGYEGT-UHFFFAOYSA-N -1 1 309.289 0.770 20 30 DCEDMM COc1ncc(NC(=O)c2ccc(-c3nnn[n-]3)o2)cc1C#N ZINC001591667570 1167346456 /nfs/dbraw/zinc/34/64/56/1167346456.db2.gz VQZWRJLFAAILQI-UHFFFAOYSA-N -1 1 311.261 0.987 20 30 DCEDMM COc1ncc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1C#N ZINC001591667570 1167346464 /nfs/dbraw/zinc/34/64/64/1167346464.db2.gz VQZWRJLFAAILQI-UHFFFAOYSA-N -1 1 311.261 0.987 20 30 DCEDMM Cc1cnc(CCNc2cnc(C#N)c(-c3nn[n-]n3)n2)cn1 ZINC001592292628 1167484352 /nfs/dbraw/zinc/48/43/52/1167484352.db2.gz KOENCMBVPXDEHH-UHFFFAOYSA-N -1 1 308.309 0.281 20 30 DCEDMM Cc1cnc(CCNc2cnc(-c3nnn[n-]3)c(C#N)n2)cn1 ZINC001592292911 1167484563 /nfs/dbraw/zinc/48/45/63/1167484563.db2.gz RZEFXCGQVAXIGS-UHFFFAOYSA-N -1 1 308.309 0.281 20 30 DCEDMM Cc1cnc(CCNc2cnc(-c3nn[n-]n3)c(C#N)n2)cn1 ZINC001592292911 1167484566 /nfs/dbraw/zinc/48/45/66/1167484566.db2.gz RZEFXCGQVAXIGS-UHFFFAOYSA-N -1 1 308.309 0.281 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)c1nccs1 ZINC001592334651 1167490808 /nfs/dbraw/zinc/49/08/08/1167490808.db2.gz CVOHTDSMNAPEDH-UHFFFAOYSA-N 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CC(C)[C@@H](C#N)NC(=O)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001567876566 1160513974 /nfs/dbraw/zinc/51/39/74/1160513974.db2.gz WARVQRFYTLCAOK-LLVKDONJSA-N -1 1 301.306 0.544 20 30 DCEDMM C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1nc(=O)n(C)[n-]1 ZINC001569616665 1161165219 /nfs/dbraw/zinc/16/52/19/1161165219.db2.gz IBQOLMZWKANUMP-OLZOCXBDSA-N -1 1 319.409 0.640 20 30 DCEDMM CCC1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CCOCC1 ZINC001577106856 1164604860 /nfs/dbraw/zinc/60/48/60/1164604860.db2.gz BKTVZSSRUDIMQR-UHFFFAOYSA-N -1 1 316.325 0.607 20 30 DCEDMM CCNC(=O)[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)C(C)C ZINC001578238167 1164957483 /nfs/dbraw/zinc/95/74/83/1164957483.db2.gz GYLCLIBBXHLNLX-JTQLQIEISA-N -1 1 315.341 0.101 20 30 DCEDMM CCOC(=O)[C@H]1CCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001578250735 1164963052 /nfs/dbraw/zinc/96/30/52/1164963052.db2.gz FUKTYJXHYMXPBJ-SECBINFHSA-N -1 1 314.309 0.060 20 30 DCEDMM COc1ncc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1C#N ZINC001580140106 1165516044 /nfs/dbraw/zinc/51/60/44/1165516044.db2.gz UGOLBGFVRSDAMY-UHFFFAOYSA-N -1 1 322.288 0.789 20 30 DCEDMM COc1ncc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1C#N ZINC001580140106 1165516050 /nfs/dbraw/zinc/51/60/50/1165516050.db2.gz UGOLBGFVRSDAMY-UHFFFAOYSA-N -1 1 322.288 0.789 20 30 DCEDMM C[S@](=O)[C@@H]1CC[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001580172142 1165527454 /nfs/dbraw/zinc/52/74/54/1165527454.db2.gz MFZGNGWVCKLYFL-ZEVLFVSWSA-N -1 1 318.366 0.240 20 30 DCEDMM Cc1nn(C)c(NC(=O)c2ncc(C#N)cc2C)c1-c1nnn[n-]1 ZINC001580769029 1165714929 /nfs/dbraw/zinc/71/49/29/1165714929.db2.gz XMNXJVLCKWEKRA-UHFFFAOYSA-N -1 1 323.320 0.736 20 30 DCEDMM Cc1nn(C)c(NC(=O)c2ncc(C#N)cc2C)c1-c1nn[n-]n1 ZINC001580769029 1165714935 /nfs/dbraw/zinc/71/49/35/1165714935.db2.gz XMNXJVLCKWEKRA-UHFFFAOYSA-N -1 1 323.320 0.736 20 30 DCEDMM Cc1csc(CCNc2cnc(C#N)c(-c3nn[n-]n3)n2)n1 ZINC001581386183 1165819470 /nfs/dbraw/zinc/81/94/70/1165819470.db2.gz WUXRHSLAUMVTGA-UHFFFAOYSA-N -1 1 313.350 0.948 20 30 DCEDMM Cc1nn(C)c(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1C#N ZINC001581593870 1165847178 /nfs/dbraw/zinc/84/71/78/1165847178.db2.gz XRJPIWXLJOVYNU-UHFFFAOYSA-N -1 1 323.320 0.357 20 30 DCEDMM Cc1nn(C)c(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1C#N ZINC001581593870 1165847187 /nfs/dbraw/zinc/84/71/87/1165847187.db2.gz XRJPIWXLJOVYNU-UHFFFAOYSA-N -1 1 323.320 0.357 20 30 DCEDMM Cc1n[nH]c(=O)c(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)c1C ZINC001581612040 1165852971 /nfs/dbraw/zinc/85/29/71/1165852971.db2.gz IZBMFARFFJWPFG-UHFFFAOYSA-N -1 1 324.308 0.253 20 30 DCEDMM Cn1ncc(C2CC2)c1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001581830065 1165883961 /nfs/dbraw/zinc/88/39/61/1165883961.db2.gz BXJHYFYGJVSMQK-UHFFFAOYSA-N -1 1 324.308 0.325 20 30 DCEDMM N#Cc1ccc(CC(=O)COc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001581869130 1165894903 /nfs/dbraw/zinc/89/49/03/1165894903.db2.gz JPUGKLKOBZCGIJ-UHFFFAOYSA-N -1 1 321.300 0.719 20 30 DCEDMM N#Cc1nc(NCc2ncc3c(n2)CCC3)cnc1-c1nnn[n-]1 ZINC001581881006 1165898186 /nfs/dbraw/zinc/89/81/86/1165898186.db2.gz DSLMXZSMNOKMKL-UHFFFAOYSA-N -1 1 320.320 0.419 20 30 DCEDMM N#Cc1nc(NCc2ncc3c(n2)CCC3)cnc1-c1nn[n-]n1 ZINC001581881006 1165898193 /nfs/dbraw/zinc/89/81/93/1165898193.db2.gz DSLMXZSMNOKMKL-UHFFFAOYSA-N -1 1 320.320 0.419 20 30 DCEDMM N#Cc1nc(NCC2(CO)CCCCC2)cnc1-c1nnn[n-]1 ZINC001581880767 1165899255 /nfs/dbraw/zinc/89/92/55/1165899255.db2.gz VBPHQASKRKETJS-UHFFFAOYSA-N -1 1 314.353 0.883 20 30 DCEDMM N#Cc1nc(NCC2(CO)CCCCC2)cnc1-c1nn[n-]n1 ZINC001581880767 1165899260 /nfs/dbraw/zinc/89/92/60/1165899260.db2.gz VBPHQASKRKETJS-UHFFFAOYSA-N -1 1 314.353 0.883 20 30 DCEDMM N#Cc1nc(N[C@H](CO)C2CCCCC2)cnc1-c1nnn[n-]1 ZINC001581880921 1165900039 /nfs/dbraw/zinc/90/00/39/1165900039.db2.gz ZQORRBZTXQRGCQ-LLVKDONJSA-N -1 1 314.353 0.881 20 30 DCEDMM N#Cc1nc(N[C@H](CO)C2CCCCC2)cnc1-c1nn[n-]n1 ZINC001581880921 1165900041 /nfs/dbraw/zinc/90/00/41/1165900041.db2.gz ZQORRBZTXQRGCQ-LLVKDONJSA-N -1 1 314.353 0.881 20 30 DCEDMM N#Cc1ncc(N2CCO[C@H](c3ccco3)C2)nc1-c1nn[n-]n1 ZINC001581882667 1165902907 /nfs/dbraw/zinc/90/29/07/1165902907.db2.gz FKCGXACCKASKCS-NSHDSACASA-N -1 1 324.304 0.699 20 30 DCEDMM C=CCO[C@@H](C)C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001582943865 1166138843 /nfs/dbraw/zinc/13/88/43/1166138843.db2.gz DMPJZCPEYKHHRU-LBPRGKRZSA-N -1 1 321.377 0.909 20 30 DCEDMM C[C@]12CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@@]1(C)C(=O)NC2=O ZINC001587061420 1166503230 /nfs/dbraw/zinc/50/32/30/1166503230.db2.gz YFMMXGWCEDNWDI-IYBDPMFKSA-N -1 1 313.313 0.389 20 30 DCEDMM C#CC[C@H](CO)NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588331175 1166529380 /nfs/dbraw/zinc/52/93/80/1166529380.db2.gz LHUZXBYITHVZPO-SSDOTTSWSA-N -1 1 307.339 0.137 20 30 DCEDMM C#CC[C@H](CO)NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588331175 1166529384 /nfs/dbraw/zinc/52/93/84/1166529384.db2.gz LHUZXBYITHVZPO-SSDOTTSWSA-N -1 1 307.339 0.137 20 30 DCEDMM C#CCCn1cc(-c2nnn[n-]2)c(I)n1 ZINC001588347459 1166538562 /nfs/dbraw/zinc/53/85/62/1166538562.db2.gz QDNZOEAMJZBCRO-UHFFFAOYSA-N -1 1 314.090 0.691 20 30 DCEDMM C#CCCn1cc(-c2nn[n-]n2)c(I)n1 ZINC001588347459 1166538567 /nfs/dbraw/zinc/53/85/67/1166538567.db2.gz QDNZOEAMJZBCRO-UHFFFAOYSA-N -1 1 314.090 0.691 20 30 DCEDMM C#CCn1ccc(CN(CC)c2cc(-c3nnn[n-]3)ncn2)n1 ZINC001588364194 1166548517 /nfs/dbraw/zinc/54/85/17/1166548517.db2.gz YTXMADNZFKXLMM-UHFFFAOYSA-N -1 1 309.337 0.513 20 30 DCEDMM C#CCn1ccc(CN(CC)c2cc(-c3nn[n-]n3)ncn2)n1 ZINC001588364194 1166548524 /nfs/dbraw/zinc/54/85/24/1166548524.db2.gz YTXMADNZFKXLMM-UHFFFAOYSA-N -1 1 309.337 0.513 20 30 DCEDMM C#Cc1cncc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)c1 ZINC001588379195 1166548770 /nfs/dbraw/zinc/54/87/70/1166548770.db2.gz BDTNWUYDUZFDMW-UHFFFAOYSA-N -1 1 308.305 0.537 20 30 DCEDMM C#Cc1cncc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)c1 ZINC001588379195 1166548780 /nfs/dbraw/zinc/54/87/80/1166548780.db2.gz BDTNWUYDUZFDMW-UHFFFAOYSA-N -1 1 308.305 0.537 20 30 DCEDMM C#Cc1ccc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)cn1 ZINC001588373635 1166549436 /nfs/dbraw/zinc/54/94/36/1166549436.db2.gz PPIAHKCUPZPDHU-UHFFFAOYSA-N -1 1 308.305 0.537 20 30 DCEDMM C#Cc1ccc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)cn1 ZINC001588373635 1166549443 /nfs/dbraw/zinc/54/94/43/1166549443.db2.gz PPIAHKCUPZPDHU-UHFFFAOYSA-N -1 1 308.305 0.537 20 30 DCEDMM C=CC(C)(C)CCNC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588487030 1166557604 /nfs/dbraw/zinc/55/76/04/1166557604.db2.gz OGYJAVRNVNHMJY-VIFPVBQESA-N -1 1 304.358 0.738 20 30 DCEDMM C=CCCC(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588564860 1166561696 /nfs/dbraw/zinc/56/16/96/1166561696.db2.gz SLUPYJUBEMTJJS-JTQLQIEISA-N -1 1 316.369 0.882 20 30 DCEDMM C=CCCC(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588564860 1166561700 /nfs/dbraw/zinc/56/17/00/1166561700.db2.gz SLUPYJUBEMTJJS-JTQLQIEISA-N -1 1 316.369 0.882 20 30 DCEDMM C=CC[C@@H](CO)NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588546078 1166562318 /nfs/dbraw/zinc/56/23/18/1166562318.db2.gz WOYJZZHYKAUDNI-ZETCQYMHSA-N -1 1 309.355 0.690 20 30 DCEDMM C=CC[C@@H](CO)NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588546078 1166562324 /nfs/dbraw/zinc/56/23/24/1166562324.db2.gz WOYJZZHYKAUDNI-ZETCQYMHSA-N -1 1 309.355 0.690 20 30 DCEDMM C=CCCn1cc(CN=Nc2oc(C)nc2-c2nn[n-]n2)nn1 ZINC001588620776 1166571835 /nfs/dbraw/zinc/57/18/35/1166571835.db2.gz GRZMNOQAKVABOZ-UHFFFAOYSA-N -1 1 314.313 0.777 20 30 DCEDMM C=CCN(CC=C)C(=O)COc1ccc(F)nc1-c1nn[n-]n1 ZINC001588632026 1166574613 /nfs/dbraw/zinc/57/46/13/1166574613.db2.gz QIPXZGJFIPUPSH-UHFFFAOYSA-N -1 1 318.312 0.980 20 30 DCEDMM C=CCOCCOCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001588689525 1166580913 /nfs/dbraw/zinc/58/09/13/1166580913.db2.gz LYUKMOJTMSRWQW-UHFFFAOYSA-N -1 1 319.321 0.638 20 30 DCEDMM C=CCOCCOCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001588689525 1166580917 /nfs/dbraw/zinc/58/09/17/1166580917.db2.gz LYUKMOJTMSRWQW-UHFFFAOYSA-N -1 1 319.321 0.638 20 30 DCEDMM CC#CC[C@H](CO)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588737843 1166584513 /nfs/dbraw/zinc/58/45/13/1166584513.db2.gz JEPRPMYAVWLEHM-MRVPVSSYSA-N -1 1 317.309 0.543 20 30 DCEDMM CC#CC[C@H](CO)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001588737843 1166584517 /nfs/dbraw/zinc/58/45/17/1166584517.db2.gz JEPRPMYAVWLEHM-MRVPVSSYSA-N -1 1 317.309 0.543 20 30 DCEDMM C[C@H](C(=O)N1CCC[C@](C)(C#N)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588952760 1166621041 /nfs/dbraw/zinc/62/10/41/1166621041.db2.gz YBGCXHXFOOSUBB-NOZJJQNGSA-N -1 1 315.341 0.171 20 30 DCEDMM C[C@@H](C(=O)N1CCC(CC#N)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588948854 1166622694 /nfs/dbraw/zinc/62/26/94/1166622694.db2.gz NODDNUXBEBXSMW-VIFPVBQESA-N -1 1 315.341 0.171 20 30 DCEDMM CC(C)C[C@H](CCO)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589553409 1166667459 /nfs/dbraw/zinc/66/74/59/1166667459.db2.gz YSYYKHKLEFSILZ-JTQLQIEISA-N -1 1 316.369 0.985 20 30 DCEDMM CC(C)C[C@H](CCO)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589553409 1166667462 /nfs/dbraw/zinc/66/74/62/1166667462.db2.gz YSYYKHKLEFSILZ-JTQLQIEISA-N -1 1 316.369 0.985 20 30 DCEDMM C[C@@H](COCC1CC1)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589884424 1166709057 /nfs/dbraw/zinc/70/90/57/1166709057.db2.gz DKGREOSMTQCRQB-QMMMGPOBSA-N -1 1 300.326 0.755 20 30 DCEDMM CCC(C)(C)OCC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001590379177 1166895422 /nfs/dbraw/zinc/89/54/22/1166895422.db2.gz QGVLKMUZQLUNCJ-UHFFFAOYSA-N -1 1 304.314 0.605 20 30 DCEDMM CCN(Cc1ccccn1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590722156 1166984226 /nfs/dbraw/zinc/98/42/26/1166984226.db2.gz PIUBYJIKVWWPCO-UHFFFAOYSA-N -1 1 307.321 0.950 20 30 DCEDMM CCN(Cc1ccccn1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590722156 1166984229 /nfs/dbraw/zinc/98/42/29/1166984229.db2.gz PIUBYJIKVWWPCO-UHFFFAOYSA-N -1 1 307.321 0.950 20 30 DCEDMM CCc1nn(CCO[C@@H](C)C#N)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929687 1167053632 /nfs/dbraw/zinc/05/36/32/1167053632.db2.gz LTZJCXFZBLUBJU-VIFPVBQESA-N -1 1 317.353 0.477 20 30 DCEDMM CN([C@@H]1CCC[C@@H]1C#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591037564 1167089869 /nfs/dbraw/zinc/08/98/69/1167089869.db2.gz XVUKRYIKZRWJRT-RKDXNWHRSA-N -1 1 322.350 0.772 20 30 DCEDMM COC(=O)[C@H]1CCCC[C@@H]1Cn1cnc(-c2nn[n-]n2)c1C#N ZINC001591254481 1167180837 /nfs/dbraw/zinc/18/08/37/1167180837.db2.gz IWNIJXUDYBGNKW-ZJUUUORDSA-N -1 1 315.337 0.914 20 30 DCEDMM COc1ccc2c(c1)C[C@H](Cn1cnc(-c3nn[n-]n3)c1C#N)O2 ZINC001591626353 1167342299 /nfs/dbraw/zinc/34/22/99/1167342299.db2.gz LZWLPXYXLGEFGE-LLVKDONJSA-N -1 1 323.316 0.947 20 30 DCEDMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N[C@H](C)CC#N ZINC001591989754 1167431009 /nfs/dbraw/zinc/43/10/09/1167431009.db2.gz HFMHRDTVGIEGIW-MRVPVSSYSA-N -1 1 324.341 0.895 20 30 DCEDMM Cc1ccc(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)nc1Cl ZINC001592171747 1167467754 /nfs/dbraw/zinc/46/77/54/1167467754.db2.gz NFGHWMPRYCMZIZ-UHFFFAOYSA-N -1 1 315.728 0.922 20 30 DCEDMM Cc1cccnc1CCNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001592263156 1167480688 /nfs/dbraw/zinc/48/06/88/1167480688.db2.gz SLDXZYUPFHLOPA-UHFFFAOYSA-N -1 1 307.321 0.886 20 30 DCEDMM Cc1nn(Cc2cc(C#N)ccn2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438157 1167522498 /nfs/dbraw/zinc/52/24/98/1167522498.db2.gz 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/nfs/dbraw/zinc/89/94/15/1165899415.db2.gz HNZXUNYTKYKIFU-KKZNHRDASA-N -1 1 312.337 0.898 20 30 DCEDMM N#Cc1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cnc1-c1nn[n-]n1 ZINC001581880355 1165899418 /nfs/dbraw/zinc/89/94/18/1165899418.db2.gz HNZXUNYTKYKIFU-KKZNHRDASA-N -1 1 312.337 0.898 20 30 DCEDMM N#Cc1nc(N[C@@H]2Cc3cccc(O)c3C2)cnc1-c1nnn[n-]1 ZINC001581880848 1165899987 /nfs/dbraw/zinc/89/99/87/1165899987.db2.gz XFEBOPIDQJRQMH-SECBINFHSA-N -1 1 320.316 0.813 20 30 DCEDMM N#Cc1nc(N[C@@H]2Cc3cccc(O)c3C2)cnc1-c1nn[n-]n1 ZINC001581880848 1165899992 /nfs/dbraw/zinc/89/99/92/1165899992.db2.gz XFEBOPIDQJRQMH-SECBINFHSA-N -1 1 320.316 0.813 20 30 DCEDMM N#Cc1ncc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)nc1-c1nn[n-]n1 ZINC001581883381 1165902673 /nfs/dbraw/zinc/90/26/73/1165902673.db2.gz XXRGBAWEQIHLDP-NGZCFLSTSA-N -1 1 312.337 0.898 20 30 DCEDMM N#Cc1nccc(NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)n1 ZINC001581885175 1165904401 /nfs/dbraw/zinc/90/44/01/1165904401.db2.gz QCKXOLVQNZVXPH-UHFFFAOYSA-N -1 1 314.259 0.841 20 30 DCEDMM N#Cc1nccc(NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)n1 ZINC001581885175 1165904404 /nfs/dbraw/zinc/90/44/04/1165904404.db2.gz QCKXOLVQNZVXPH-UHFFFAOYSA-N -1 1 314.259 0.841 20 30 DCEDMM C#CC(C)(C)N(C)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001588325230 1166521300 /nfs/dbraw/zinc/52/13/00/1166521300.db2.gz HBNXFOOCGLJWHW-UHFFFAOYSA-N -1 1 306.351 0.294 20 30 DCEDMM C#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)C1CCOCC1 ZINC001588329395 1166526959 /nfs/dbraw/zinc/52/69/59/1166526959.db2.gz FPILQUBMMLZUNC-GFCCVEGCSA-N -1 1 315.333 0.926 20 30 DCEDMM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)C1CCOCC1 ZINC001588329395 1166526967 /nfs/dbraw/zinc/52/69/67/1166526967.db2.gz FPILQUBMMLZUNC-GFCCVEGCSA-N -1 1 315.333 0.926 20 30 DCEDMM C#CCC[C@H](O)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588337263 1166532097 /nfs/dbraw/zinc/53/20/97/1166532097.db2.gz MASIRQITLNNZRJ-JTQLQIEISA-N -1 1 302.294 0.961 20 30 DCEDMM C#CCC[C@H](O)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001588337263 1166532101 /nfs/dbraw/zinc/53/21/01/1166532101.db2.gz MASIRQITLNNZRJ-JTQLQIEISA-N -1 1 302.294 0.961 20 30 DCEDMM C#CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)C1CSC1 ZINC001588348434 1166537513 /nfs/dbraw/zinc/53/75/13/1166537513.db2.gz VYEOPAIEJQZWJF-UHFFFAOYSA-N -1 1 318.362 0.283 20 30 DCEDMM C#CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)C1CSC1 ZINC001588348434 1166537520 /nfs/dbraw/zinc/53/75/20/1166537520.db2.gz VYEOPAIEJQZWJF-UHFFFAOYSA-N -1 1 318.362 0.283 20 30 DCEDMM C=C(C)CCC(=O)NCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588418031 1166550891 /nfs/dbraw/zinc/55/08/91/1166550891.db2.gz OUPYEXPLPOZMHX-UHFFFAOYSA-N -1 1 316.369 0.931 20 30 DCEDMM C=C(C)CCC(=O)NCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588418031 1166550896 /nfs/dbraw/zinc/55/08/96/1166550896.db2.gz OUPYEXPLPOZMHX-UHFFFAOYSA-N -1 1 316.369 0.931 20 30 DCEDMM C=C(C)C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)OC ZINC001588404268 1166551187 /nfs/dbraw/zinc/55/11/87/1166551187.db2.gz GQZVVOCYHMALGR-VIFPVBQESA-N -1 1 305.294 0.697 20 30 DCEDMM C=C(C)C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)OC ZINC001588404268 1166551194 /nfs/dbraw/zinc/55/11/94/1166551194.db2.gz GQZVVOCYHMALGR-VIFPVBQESA-N -1 1 305.294 0.697 20 30 DCEDMM C=C(C)C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(=O)OC ZINC001588404267 1166551648 /nfs/dbraw/zinc/55/16/48/1166551648.db2.gz GQZVVOCYHMALGR-SECBINFHSA-N -1 1 305.294 0.697 20 30 DCEDMM C=C(C)C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(=O)OC ZINC001588404267 1166551656 /nfs/dbraw/zinc/55/16/56/1166551656.db2.gz GQZVVOCYHMALGR-SECBINFHSA-N -1 1 305.294 0.697 20 30 DCEDMM C=C(C)CCC(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588420034 1166553542 /nfs/dbraw/zinc/55/35/42/1166553542.db2.gz ZEWZFCACEUCBLK-JTQLQIEISA-N -1 1 316.369 0.930 20 30 DCEDMM C=C(C)CCC(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588420034 1166553548 /nfs/dbraw/zinc/55/35/48/1166553548.db2.gz ZEWZFCACEUCBLK-JTQLQIEISA-N -1 1 316.369 0.930 20 30 DCEDMM C=CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C(=O)OCC ZINC001588548089 1166562736 /nfs/dbraw/zinc/56/27/36/1166562736.db2.gz BOVYVEXNKAMCMY-MRVPVSSYSA-N -1 1 305.294 0.697 20 30 DCEDMM C=CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)OCC ZINC001588548089 1166562742 /nfs/dbraw/zinc/56/27/42/1166562742.db2.gz BOVYVEXNKAMCMY-MRVPVSSYSA-N -1 1 305.294 0.697 20 30 DCEDMM C=CCCCC(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588590643 1166565485 /nfs/dbraw/zinc/56/54/85/1166565485.db2.gz UKGDEHDURBFCST-UHFFFAOYSA-N -1 1 302.342 0.541 20 30 DCEDMM C=CCCCC(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588590643 1166565490 /nfs/dbraw/zinc/56/54/90/1166565490.db2.gz UKGDEHDURBFCST-UHFFFAOYSA-N -1 1 302.342 0.541 20 30 DCEDMM C=CCN1CC[C@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1=O ZINC001588655130 1166572913 /nfs/dbraw/zinc/57/29/13/1166572913.db2.gz VYQCSJUOOWLEPZ-NSHDSACASA-N -1 1 314.353 0.188 20 30 DCEDMM C=CCN1CC[C@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1=O ZINC001588655130 1166572920 /nfs/dbraw/zinc/57/29/20/1166572920.db2.gz VYQCSJUOOWLEPZ-NSHDSACASA-N -1 1 314.353 0.188 20 30 DCEDMM C=CCOC[C@H](NCc1csc(-c2nn[n-]n2)c1)C(=O)OC ZINC001588682147 1166578572 /nfs/dbraw/zinc/57/85/72/1166578572.db2.gz XKYTYTCYKUNOTQ-JTQLQIEISA-N -1 1 323.378 0.762 20 30 DCEDMM C[C@H](C#N)CN(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588930627 1166619936 /nfs/dbraw/zinc/61/99/36/1166619936.db2.gz BEWRJFQCOYHYMU-SSDOTTSWSA-N -1 1 306.355 0.624 20 30 DCEDMM C[C@H](C#N)CN(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001588930627 1166619937 /nfs/dbraw/zinc/61/99/37/1166619937.db2.gz BEWRJFQCOYHYMU-SSDOTTSWSA-N -1 1 306.355 0.624 20 30 DCEDMM C[C@H](C(=O)N[C@@H](C#N)C1CCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588966246 1166625022 /nfs/dbraw/zinc/62/50/22/1166625022.db2.gz XGNBZCXHDWWZFN-SCZZXKLOSA-N -1 1 315.341 0.218 20 30 DCEDMM C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)[C@@H]1CCCO1 ZINC001589024953 1166629243 /nfs/dbraw/zinc/62/92/43/1166629243.db2.gz GCIKFPNJIVEPBY-XPUUQOCRSA-N -1 1 302.298 0.215 20 30 DCEDMM C[C@H](O)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001589995024 1166741340 /nfs/dbraw/zinc/74/13/40/1166741340.db2.gz IVQLSIXDLHIZFS-IUCAKERBSA-N -1 1 300.326 0.126 20 30 DCEDMM C[C@H](O)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001589995024 1166741343 /nfs/dbraw/zinc/74/13/43/1166741343.db2.gz IVQLSIXDLHIZFS-IUCAKERBSA-N -1 1 300.326 0.126 20 30 DCEDMM C[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001590029700 1166756812 /nfs/dbraw/zinc/75/68/12/1166756812.db2.gz YDHVRRUPKGDISP-QMMMGPOBSA-N -1 1 324.304 0.867 20 30 DCEDMM C[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)c2ncnn21 ZINC001590207874 1166816407 /nfs/dbraw/zinc/81/64/07/1166816407.db2.gz BHKWKSGRJMBDES-RQJHMYQMSA-N -1 1 309.297 0.238 20 30 DCEDMM CCCCCCN(O)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590594298 1166945642 /nfs/dbraw/zinc/94/56/42/1166945642.db2.gz JTWXXDBSTISQBH-SECBINFHSA-N -1 1 308.346 0.817 20 30 DCEDMM COC(=O)[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)C(C)(C)C ZINC001591276514 1167196361 /nfs/dbraw/zinc/19/63/61/1167196361.db2.gz DXJSZQDFKOVPCU-SNVBAGLBSA-N -1 1 316.325 0.528 20 30 DCEDMM COCCN(CCC#N)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591423032 1167278356 /nfs/dbraw/zinc/27/83/56/1167278356.db2.gz WSDDEWPILRUMKP-UHFFFAOYSA-N -1 1 315.337 0.193 20 30 DCEDMM COCCN(CCC#N)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591423032 1167278361 /nfs/dbraw/zinc/27/83/61/1167278361.db2.gz WSDDEWPILRUMKP-UHFFFAOYSA-N -1 1 315.337 0.193 20 30 DCEDMM N#C[C@]1(NC(=O)c2cccc(-c3nnn[n-]3)n2)CCSC1 ZINC001592671718 1167594771 /nfs/dbraw/zinc/59/47/71/1167594771.db2.gz VPDAJIXUGPNANP-GFCCVEGCSA-N -1 1 301.335 0.391 20 30 DCEDMM N#C[C@]1(NC(=O)c2cccc(-c3nn[n-]n3)n2)CCSC1 ZINC001592671718 1167594774 /nfs/dbraw/zinc/59/47/74/1167594774.db2.gz VPDAJIXUGPNANP-GFCCVEGCSA-N -1 1 301.335 0.391 20 30 DCEDMM N#C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001592671914 1167594987 /nfs/dbraw/zinc/59/49/87/1167594987.db2.gz RRRBKYKGZKEDFP-ZCFIWIBFSA-N -1 1 307.295 0.565 20 30 DCEDMM N#C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001592671914 1167594991 /nfs/dbraw/zinc/59/49/91/1167594991.db2.gz RRRBKYKGZKEDFP-ZCFIWIBFSA-N -1 1 307.295 0.565 20 30 DCEDMM N#CC1(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001592670835 1167595105 /nfs/dbraw/zinc/59/51/05/1167595105.db2.gz RJKKOCIUSXQGFL-UHFFFAOYSA-N -1 1 316.296 0.947 20 30 DCEDMM N#CC1(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001592670835 1167595108 /nfs/dbraw/zinc/59/51/08/1167595108.db2.gz RJKKOCIUSXQGFL-UHFFFAOYSA-N -1 1 316.296 0.947 20 30 DCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001592682059 1167600675 /nfs/dbraw/zinc/60/06/75/1167600675.db2.gz OHFBLUNBNUVTKQ-KHQFGBGNSA-N -1 1 300.326 0.475 20 30 DCEDMM N#Cc1ncc(NCc2nncn2C2CC2)nc1-c1nn[n-]n1 ZINC001592708894 1167609272 /nfs/dbraw/zinc/60/92/72/1167609272.db2.gz YIXRJUYZUWFJAI-UHFFFAOYSA-N -1 1 309.297 0.067 20 30 DCEDMM Cc1cc(C#N)cnc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001600076167 1168112219 /nfs/dbraw/zinc/11/22/19/1168112219.db2.gz MQMLOVSAOVWZMJ-GFCCVEGCSA-N -1 1 316.361 0.883 20 30 DCEDMM Cc1cc(N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c(C#N)cn1 ZINC001600241126 1168144172 /nfs/dbraw/zinc/14/41/72/1168144172.db2.gz RMJZWXLMTGCFPR-MRXNPFEDSA-N -1 1 316.361 0.627 20 30 DCEDMM N#Cc1c(F)cccc1OS(=O)(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001601083127 1168582744 /nfs/dbraw/zinc/58/27/44/1168582744.db2.gz OTRWGDLAODQJIZ-UHFFFAOYSA-N -1 1 311.250 0.886 20 30 DCEDMM N#Cc1ccc(F)c(CNCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC001601102991 1168585256 /nfs/dbraw/zinc/58/52/56/1168585256.db2.gz WGYMERHFVXVZSO-NEPJUHHUSA-N -1 1 305.309 0.624 20 30 DCEDMM C#C[C@@H]1CCCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001602697634 1169165086 /nfs/dbraw/zinc/16/50/86/1169165086.db2.gz YPKUTKYTNOLDFM-SNVBAGLBSA-N -1 1 318.362 0.296 20 30 DCEDMM C#CCNC(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001602722466 1169172701 /nfs/dbraw/zinc/17/27/01/1169172701.db2.gz STQGMVHWVGCBFQ-UHFFFAOYSA-N -1 1 317.378 0.393 20 30 DCEDMM C#CCn1cc(CNC(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001602732895 1169174521 /nfs/dbraw/zinc/17/45/21/1169174521.db2.gz KHKQQUKULSDBDZ-UHFFFAOYSA-N -1 1 313.346 0.688 20 30 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KXDHXBNFEMSGBK-UHFFFAOYSA-N -1 1 313.350 0.948 20 30 DCEDMM Cc1ncsc1CN(C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001581587911 1165846771 /nfs/dbraw/zinc/84/67/71/1165846771.db2.gz FVDQNLCENFISEP-UHFFFAOYSA-N -1 1 313.350 0.930 20 30 DCEDMM Cc1nsc(N[C@H](C)CNC(=O)[C@H](C)C#N)c1-c1nn[n-]n1 ZINC001581691663 1165859354 /nfs/dbraw/zinc/85/93/54/1165859354.db2.gz JMFRCXUEIFXHIO-RNFRBKRXSA-N -1 1 320.382 0.708 20 30 DCEDMM Cc1onc(CC(=O)Nc2cccc(CC#N)n2)c1-c1nnn[n-]1 ZINC001581739224 1165865727 /nfs/dbraw/zinc/86/57/27/1165865727.db2.gz GUEJKMHODSPSDP-UHFFFAOYSA-N -1 1 324.304 0.805 20 30 DCEDMM Cc1onc(CC(=O)Nc2cccc(CC#N)n2)c1-c1nn[n-]n1 ZINC001581739224 1165865735 /nfs/dbraw/zinc/86/57/35/1165865735.db2.gz GUEJKMHODSPSDP-UHFFFAOYSA-N -1 1 324.304 0.805 20 30 DCEDMM N#Cc1nc(NCC[C@@H](O)C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001581880532 1165898923 /nfs/dbraw/zinc/89/89/23/1165898923.db2.gz NIJYXAXTHBNHEW-ZCFIWIBFSA-N -1 1 314.231 0.254 20 30 DCEDMM N#Cc1nc(NCC[C@@H](O)C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001581880532 1165898933 /nfs/dbraw/zinc/89/89/33/1165898933.db2.gz NIJYXAXTHBNHEW-ZCFIWIBFSA-N -1 1 314.231 0.254 20 30 DCEDMM N#Cc1nc(N2CCO[C@@H](c3ccco3)C2)cnc1-c1nnn[n-]1 ZINC001581879756 1165899520 /nfs/dbraw/zinc/89/95/20/1165899520.db2.gz WRDJKLAAOMIMQL-LLVKDONJSA-N -1 1 324.304 0.699 20 30 DCEDMM N#Cc1nc(N2CCO[C@@H](c3ccco3)C2)cnc1-c1nn[n-]n1 ZINC001581879756 1165899521 /nfs/dbraw/zinc/89/95/21/1165899521.db2.gz WRDJKLAAOMIMQL-LLVKDONJSA-N -1 1 324.304 0.699 20 30 DCEDMM N#Cc1ncc(N[C@H]2CCC[C@H]2CCO)nc1-c1nn[n-]n1 ZINC001581882517 1165902020 /nfs/dbraw/zinc/90/20/20/1165902020.db2.gz BTBSKEQFVYQAAF-IUCAKERBSA-N -1 1 300.326 0.491 20 30 DCEDMM N#Cc1ncc(NCc2cccc(C(N)=O)c2)nc1-c1nn[n-]n1 ZINC001581884339 1165904613 /nfs/dbraw/zinc/90/46/13/1165904613.db2.gz VVGAUEOKZUMJQW-UHFFFAOYSA-N -1 1 321.304 0.239 20 30 DCEDMM C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(F)c2[O-])C1=O ZINC001587389244 1166507144 /nfs/dbraw/zinc/50/71/44/1166507144.db2.gz COINCWAURFVYDL-UHFFFAOYSA-N -1 1 321.264 0.447 20 30 DCEDMM 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C=CCCC(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588571965 1166565197 /nfs/dbraw/zinc/56/51/97/1166565197.db2.gz USMJXBFQBWMGQC-UWVGGRQHSA-N -1 1 316.369 0.928 20 30 DCEDMM C=CCCC(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001588572765 1166565678 /nfs/dbraw/zinc/56/56/78/1166565678.db2.gz QVLBVPYXLFTEJD-UHFFFAOYSA-N -1 1 316.369 0.565 20 30 DCEDMM C=CCCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588571418 1166565948 /nfs/dbraw/zinc/56/59/48/1166565948.db2.gz WYCAKSJOFARNPJ-SNVBAGLBSA-N -1 1 314.353 0.318 20 30 DCEDMM C=CCCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588571418 1166565951 /nfs/dbraw/zinc/56/59/51/1166565951.db2.gz WYCAKSJOFARNPJ-SNVBAGLBSA-N -1 1 314.353 0.318 20 30 DCEDMM C=CCNC(=O)COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001588658237 1166577679 /nfs/dbraw/zinc/57/76/79/1166577679.db2.gz CXBCNJXEQLVMIV-UHFFFAOYSA-N -1 1 305.269 0.465 20 30 DCEDMM C=CCNC(=O)COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001588658237 1166577686 /nfs/dbraw/zinc/57/76/86/1166577686.db2.gz 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CN1Cc2cccc(C(=O)N([O-])C(=N)c3nonc3N)c2C1=O ZINC001154320951 770140465 /nfs/dbraw/zinc/14/04/65/770140465.db2.gz UVULNVQEOCYQFC-UHFFFAOYSA-N -1 1 316.277 0.094 20 30 DCEDMM N#Cc1ccc2[n-]c(C(=O)N3CCOC[C@H]3C#N)cc(=O)c2c1 ZINC001154556206 770218776 /nfs/dbraw/zinc/21/87/76/770218776.db2.gz OUNMHLXZXSMSSH-LLVKDONJSA-N -1 1 308.297 0.764 20 30 DCEDMM N=C(c1nonc1N)N([O-])C(=O)[C@@H]1CCCN1Cc1ccco1 ZINC001177612364 770510386 /nfs/dbraw/zinc/51/03/86/770510386.db2.gz BBKJRJPLWFGURI-VIFPVBQESA-N -1 1 320.309 0.453 20 30 DCEDMM CC(C)(Cc1cccnc1)C(=O)N([O-])C(=N)c1nonc1N ZINC001178054297 770603020 /nfs/dbraw/zinc/60/30/20/770603020.db2.gz QKGMUEQNXFCPPI-UHFFFAOYSA-N -1 1 304.310 0.859 20 30 DCEDMM C#CCC1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCOCC1 ZINC001155807750 770625802 /nfs/dbraw/zinc/62/58/02/770625802.db2.gz WDVDSLGNRWWMHG-UHFFFAOYSA-N -1 1 305.290 0.998 20 30 DCEDMM COc1ccc2c(c1)CC[C@H]2C(=O)N([O-])C(=N)c1nonc1N ZINC001182444681 771486101 /nfs/dbraw/zinc/48/61/01/771486101.db2.gz SSPFNEXWOOPHSU-SNVBAGLBSA-N -1 1 317.305 0.934 20 30 DCEDMM COc1cc(O)c(C(=O)N([O-])C(=N)c2nonc2N)c(OC)c1 ZINC001190110090 772590874 /nfs/dbraw/zinc/59/08/74/772590874.db2.gz GMNBVQCZIUSBCV-UHFFFAOYSA-N -1 1 323.265 0.232 20 30 DCEDMM CSc1ccc([C@H](O)[C@H](CO)[N-]S(=O)(=O)CC#N)cc1 ZINC001192994059 772985783 /nfs/dbraw/zinc/98/57/83/772985783.db2.gz LAAHUYQKHXVNOD-RYUDHWBXSA-N -1 1 316.404 0.246 20 30 DCEDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)[C@H](C)C#N)C1CCOCC1 ZINC001193173811 773013729 /nfs/dbraw/zinc/01/37/29/773013729.db2.gz UUASZLBIISWUPK-KOLCDFICSA-N -1 1 304.368 0.176 20 30 DCEDMM COC(=O)[C@@H](Cc1ccc(C#N)cc1)[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193194938 773022870 /nfs/dbraw/zinc/02/28/70/773022870.db2.gz WSCAWDOXRVUOLY-GXFFZTMASA-N -1 1 321.358 0.474 20 30 DCEDMM N=C(c1nonc1N)N([O-])C(=O)c1cccc(-n2cncn2)c1 ZINC001193868570 773122007 /nfs/dbraw/zinc/12/20/07/773122007.db2.gz HBQGYUCLBJOURP-UHFFFAOYSA-N -1 1 314.265 0.089 20 30 DCEDMM Cn1[n-]c(CN2CCCN(C(=O)C#CC(C)(C)C)CC2)nc1=O ZINC001195785617 773479113 /nfs/dbraw/zinc/47/91/13/773479113.db2.gz ROHXPIFLOWRGCT-UHFFFAOYSA-N -1 1 319.409 0.192 20 30 DCEDMM N=C(c1nonc1N)N([O-])C(=O)c1cccc(N2CCCC2)n1 ZINC001196661325 773628847 /nfs/dbraw/zinc/62/88/47/773628847.db2.gz OPBOICUIYMRSJT-UHFFFAOYSA-N -1 1 317.309 0.504 20 30 DCEDMM COC(=O)[C@H](CS)[N-]S(=O)(=O)Cc1cccc(OC)c1 ZINC001197398309 773738782 /nfs/dbraw/zinc/73/87/82/773738782.db2.gz ZLXHXXWTQJJAQU-NSHDSACASA-N -1 1 319.404 0.586 20 30 DCEDMM COc1cnc(Cl)c(C(=O)N([O-])C(=N)c2nonc2N)c1 ZINC001199255859 774071002 /nfs/dbraw/zinc/07/10/02/774071002.db2.gz GBCHOQUTJKVGER-UHFFFAOYSA-N -1 1 312.673 0.566 20 30 DCEDMM CCC1=C(Oc2[nH]c(=O)nc3c(=O)[n-]c(=O)[nH]c32)C(=O)[C@H](C)O1 ZINC001226887504 775891772 /nfs/dbraw/zinc/89/17/72/775891772.db2.gz HNWQVVQXDWUVTG-BYPYZUCNSA-N -1 1 320.261 0.525 20 30 DCEDMM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2nc(=O)[nH]c(=O)[n-]2)C1 ZINC001227568972 775985481 /nfs/dbraw/zinc/98/54/81/775985481.db2.gz RLBNPMLZHQPQEO-HTQZYQBOSA-N -1 1 323.309 0.421 20 30 DCEDMM CC(C)(C)C#CC(=O)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001266409648 939108785 /nfs/dbraw/zinc/10/87/85/939108785.db2.gz NPYZCXJCAILJMY-LLVKDONJSA-N -1 1 305.382 0.544 20 30 DCEDMM C=C1CC(C)(C(=O)NCCN(Cc2nc(=O)n(C)[n-]2)C2CC2)C1 ZINC001267332222 939426511 /nfs/dbraw/zinc/42/65/11/939426511.db2.gz GZVKBRNGDZDNPQ-UHFFFAOYSA-N -1 1 319.409 0.545 20 30 DCEDMM C#CCN1C[C@@]2(F)CN(C(=O)c3ncccc3[O-])C[C@@]2(F)C1=O ZINC001268842392 940380102 /nfs/dbraw/zinc/38/01/02/940380102.db2.gz KAQAEKPKXNNGSQ-HUUCEWRRSA-N -1 1 321.283 0.135 20 30 DCEDMM COc1cc(O)ccc1C=NNc1nc2[nH][n-]cc-2c(=O)n1 ZINC001318356483 945332105 /nfs/dbraw/zinc/33/21/05/945332105.db2.gz KKORBPKYMLKHIU-UHFFFAOYSA-N -1 1 300.278 0.592 20 30 DCEDMM C=CCN1C(=O)COCC12CN(C(=O)c1ccc([O-])cn1)C2 ZINC001269354646 940691102 /nfs/dbraw/zinc/69/11/02/940691102.db2.gz QAAFZOQCKIIBOG-UHFFFAOYSA-N -1 1 303.318 0.027 20 30 DCEDMM C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1nc(C)ccc1[O-] ZINC001272386942 942729429 /nfs/dbraw/zinc/72/94/29/942729429.db2.gz RZCQPMCSYRGNCS-CHWSQXEVSA-N -1 1 313.357 0.934 20 30 DCEDMM N#Cc1ccc(NCC(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1 ZINC001413389258 942944733 /nfs/dbraw/zinc/94/47/33/942944733.db2.gz TYPUAGALEWXYBH-GFCCVEGCSA-N -1 1 313.321 0.083 20 30 DCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001485931972 944416337 /nfs/dbraw/zinc/41/63/37/944416337.db2.gz LNUHEETURVOJTG-GVXVVHGQSA-N -1 1 323.397 0.428 20 30 DCEDMM C=CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OCC ZINC001255945976 946561826 /nfs/dbraw/zinc/56/18/26/946561826.db2.gz VCXRJZRZWMSTQD-VIFPVBQESA-N -1 1 309.278 0.933 20 30 DCEDMM C[C@@H](C#N)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573578025 947179787 /nfs/dbraw/zinc/17/97/87/947179787.db2.gz XGLLQTVPDAVEOS-QMMMGPOBSA-N -1 1 317.378 0.388 20 30 DCEDMM C=CC[C@H]([N-]S(=O)(=O)c1c(C)onc1N)C(=O)OCC ZINC001323856832 947229412 /nfs/dbraw/zinc/22/94/12/947229412.db2.gz SQMCNHSJZGJHIO-QMMMGPOBSA-N -1 1 303.340 0.351 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001573351718 947620135 /nfs/dbraw/zinc/62/01/35/947620135.db2.gz PJEZHWONHZTLHV-BDAKNGLRSA-N -1 1 303.326 0.438 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001573351718 947620137 /nfs/dbraw/zinc/62/01/37/947620137.db2.gz PJEZHWONHZTLHV-BDAKNGLRSA-N -1 1 303.326 0.438 20 30 DCEDMM N#Cc1nc(N2C[C@]3(CCCO3)[C@@H]2C2CC2)cnc1-c1nnn[n-]1 ZINC001570923467 948663560 /nfs/dbraw/zinc/66/35/60/948663560.db2.gz ZBCRHLSQUZJBOO-DZGCQCFKSA-N -1 1 324.348 0.676 20 30 DCEDMM N#Cc1nc(N2C[C@]3(CCCO3)[C@@H]2C2CC2)cnc1-c1nn[n-]n1 ZINC001570923467 948663562 /nfs/dbraw/zinc/66/35/62/948663562.db2.gz ZBCRHLSQUZJBOO-DZGCQCFKSA-N -1 1 324.348 0.676 20 30 DCEDMM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cnn1CCC#N ZINC001570930151 948801305 /nfs/dbraw/zinc/80/13/05/948801305.db2.gz FFSVPWPWGNXMQG-UHFFFAOYSA-N -1 1 323.320 0.933 20 30 DCEDMM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cnn1CCC#N ZINC001570930151 948801317 /nfs/dbraw/zinc/80/13/17/948801317.db2.gz FFSVPWPWGNXMQG-UHFFFAOYSA-N -1 1 323.320 0.933 20 30 DCEDMM C[C@]1(C(F)F)CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001570931031 948831787 /nfs/dbraw/zinc/83/17/87/948831787.db2.gz JYXAUQOMIAPGOV-GFCCVEGCSA-N -1 1 322.279 0.389 20 30 DCEDMM COC[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)c1nn[n-]n1 ZINC001364814842 949996960 /nfs/dbraw/zinc/99/69/60/949996960.db2.gz NTAAQLASGRLCGT-GFCCVEGCSA-N -1 1 315.337 0.255 20 30 DCEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)[C@H]2O)o1 ZINC001365417313 951100799 /nfs/dbraw/zinc/10/07/99/951100799.db2.gz MDFVJILSKKXFEV-SCZZXKLOSA-N -1 1 306.290 0.978 20 30 DCEDMM C#C[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)C1CCOCC1 ZINC001334230547 952264844 /nfs/dbraw/zinc/26/48/44/952264844.db2.gz MPNALLCOPXRAPE-KBPBESRZSA-N -1 1 308.378 0.328 20 30 DCEDMM CC(C)CN(CCC#N)C(=O)CNC(=O)c1ncccc1[O-] ZINC001411695553 952390858 /nfs/dbraw/zinc/39/08/58/952390858.db2.gz JKFGISOOIFUHGE-UHFFFAOYSA-N -1 1 304.350 0.915 20 30 DCEDMM Cn1c(C#N)ccc1C(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001412486584 952836594 /nfs/dbraw/zinc/83/65/94/952836594.db2.gz KZIUYVYGDFVMNM-UHFFFAOYSA-N -1 1 313.317 0.395 20 30 DCEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H](COC)C1 ZINC001338930753 953062904 /nfs/dbraw/zinc/06/29/04/953062904.db2.gz NDQNFPDSWQHNMK-NSHDSACASA-N -1 1 318.385 0.431 20 30 DCEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H](COC)C1 ZINC001338930753 953062907 /nfs/dbraw/zinc/06/29/07/953062907.db2.gz NDQNFPDSWQHNMK-NSHDSACASA-N -1 1 318.385 0.431 20 30 DCEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1CSC ZINC001340314177 953161304 /nfs/dbraw/zinc/16/13/04/953161304.db2.gz ZBLRPWHWQOYPOH-SNVBAGLBSA-N -1 1 320.426 0.900 20 30 DCEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1CSC ZINC001340314177 953161306 /nfs/dbraw/zinc/16/13/06/953161306.db2.gz ZBLRPWHWQOYPOH-SNVBAGLBSA-N -1 1 320.426 0.900 20 30 DCEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001342105767 953269613 /nfs/dbraw/zinc/26/96/13/953269613.db2.gz DBTPFMONVAMQDS-NSHDSACASA-N -1 1 318.385 0.431 20 30 DCEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001342105767 953269617 /nfs/dbraw/zinc/26/96/17/953269617.db2.gz DBTPFMONVAMQDS-NSHDSACASA-N -1 1 318.385 0.431 20 30 DCEDMM C#C[C@H](C)N(C)c1nnc(Cc2nnn[n-]2)n1CCCOCC ZINC001342507057 953292638 /nfs/dbraw/zinc/29/26/38/953292638.db2.gz SMKWIKXKEDFAOQ-NSHDSACASA-N -1 1 318.385 0.267 20 30 DCEDMM C#C[C@H](C)N(C)c1nnc(Cc2nn[n-]n2)n1CCCOCC ZINC001342507057 953292642 /nfs/dbraw/zinc/29/26/42/953292642.db2.gz SMKWIKXKEDFAOQ-NSHDSACASA-N -1 1 318.385 0.267 20 30 DCEDMM C#C[C@H](C)N(C)c1nnc(-c2nnn[n-]2)n1CCCOCC ZINC001343237741 953330639 /nfs/dbraw/zinc/33/06/39/953330639.db2.gz MIVYFPDOGXBJNA-JTQLQIEISA-N -1 1 304.358 0.343 20 30 DCEDMM C#C[C@H](C)N(C)c1nnc(-c2nn[n-]n2)n1CCCOCC ZINC001343237741 953330642 /nfs/dbraw/zinc/33/06/42/953330642.db2.gz MIVYFPDOGXBJNA-JTQLQIEISA-N -1 1 304.358 0.343 20 30 DCEDMM O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001347475534 954101551 /nfs/dbraw/zinc/10/15/51/954101551.db2.gz WAOMOIOLXPZSIJ-LLVKDONJSA-N -1 1 311.301 0.296 20 30 DCEDMM O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H](c2nn[n-]n2)C1 ZINC001347475536 954101988 /nfs/dbraw/zinc/10/19/88/954101988.db2.gz WAOMOIOLXPZSIJ-NSHDSACASA-N -1 1 311.301 0.296 20 30 DCEDMM C=CCOCC(=O)N(C)CCCNC(=O)c1ncccc1[O-] ZINC001283526804 954425707 /nfs/dbraw/zinc/42/57/07/954425707.db2.gz YJFDXQQHRVJQKT-UHFFFAOYSA-N -1 1 307.350 0.568 20 30 DCEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001351669103 955375826 /nfs/dbraw/zinc/37/58/26/955375826.db2.gz NCJIOZYSGOXJAA-JTQLQIEISA-N -1 1 318.385 0.572 20 30 DCEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001351669103 955375841 /nfs/dbraw/zinc/37/58/41/955375841.db2.gz NCJIOZYSGOXJAA-JTQLQIEISA-N -1 1 318.385 0.572 20 30 DCEDMM C=C[C@@H](CC)CC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001352136230 955524740 /nfs/dbraw/zinc/52/47/40/955524740.db2.gz MZIHIGKDOWUSAL-XJKSGUPXSA-N -1 1 310.394 0.977 20 30 DCEDMM C=C[C@@](C)(O)CC(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001285220342 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DCEDMM C#CC[C@H]([N-]S(=O)(=O)C[C@@H]1CCC2(CCC2)O1)C(=O)OC ZINC001561641694 1159869480 /nfs/dbraw/zinc/86/94/80/1159869480.db2.gz WEHNADMGTNLSFQ-RYUDHWBXSA-N -1 1 315.391 0.572 20 30 DCEDMM C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)n(C)[n-]1 ZINC001567857047 1160503392 /nfs/dbraw/zinc/50/33/92/1160503392.db2.gz PKCUBNVSPJKNMF-RYUDHWBXSA-N -1 1 305.382 0.250 20 30 DCEDMM C#Cc1cncc(C(=O)N(C)[C@@H](C)CNCc2n[nH]c(=O)[n-]2)c1 ZINC001568298076 1160624086 /nfs/dbraw/zinc/62/40/86/1160624086.db2.gz IRCGDQYWCGBREC-JTQLQIEISA-N -1 1 314.349 0.137 20 30 DCEDMM CC(C)C#CC(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001573946539 1163597120 /nfs/dbraw/zinc/59/71/20/1163597120.db2.gz COJNIAQNEZRSKN-UHFFFAOYSA-N -1 1 314.353 0.234 20 30 DCEDMM CC(C)C#CC(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001573946539 1163597127 /nfs/dbraw/zinc/59/71/27/1163597127.db2.gz COJNIAQNEZRSKN-UHFFFAOYSA-N -1 1 314.353 0.234 20 30 DCEDMM C[C@H]1Cc2n[nH]cc2CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001576386950 1164321925 /nfs/dbraw/zinc/32/19/25/1164321925.db2.gz WPHAZAMWWDMXOM-QMMMGPOBSA-N -1 1 322.336 0.450 20 30 DCEDMM CC[C@H](C[C@H](C)CO)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001576703649 1164438020 /nfs/dbraw/zinc/43/80/20/1164438020.db2.gz BLOVABDUYVKUJH-DTWKUNHWSA-N -1 1 302.342 0.737 20 30 DCEDMM CC[C@H](C[C@H](C)CO)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001576703649 1164438028 /nfs/dbraw/zinc/43/80/28/1164438028.db2.gz BLOVABDUYVKUJH-DTWKUNHWSA-N -1 1 302.342 0.737 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CCc1ccc(C(N)=O)cc1 ZINC001581410280 1165822869 /nfs/dbraw/zinc/82/28/69/1165822869.db2.gz AGFHEFKKAVYCMD-UHFFFAOYSA-N -1 1 322.332 0.585 20 30 DCEDMM Cc1nsc(NC[C@@H](C)NC(=O)[C@H](C)C#N)c1-c1nn[n-]n1 ZINC001581718148 1165861535 /nfs/dbraw/zinc/86/15/35/1165861535.db2.gz BEUUHXJYJVWBDQ-RNFRBKRXSA-N -1 1 320.382 0.708 20 30 DCEDMM N#CC[C@]1(O)CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001581857513 1165890177 /nfs/dbraw/zinc/89/01/77/1165890177.db2.gz BKHHHJWDTXONPH-ZDUSSCGKSA-N -1 1 314.309 0.144 20 30 DCEDMM N#CC[C@]1(O)CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001581857513 1165890181 /nfs/dbraw/zinc/89/01/81/1165890181.db2.gz BKHHHJWDTXONPH-ZDUSSCGKSA-N -1 1 314.309 0.144 20 30 DCEDMM N#Cc1ccc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)nc1 ZINC001581872251 1165897352 /nfs/dbraw/zinc/89/73/52/1165897352.db2.gz RGXMVMMKSXBEKR-UHFFFAOYSA-N -1 1 304.277 0.407 20 30 DCEDMM N#Cc1ccc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)nc1 ZINC001581872251 1165897360 /nfs/dbraw/zinc/89/73/60/1165897360.db2.gz RGXMVMMKSXBEKR-UHFFFAOYSA-N -1 1 304.277 0.407 20 30 DCEDMM N#Cc1nc(N2CC[C@H]3CSC[C@@H]3C2)cnc1-c1nnn[n-]1 ZINC001581879750 1165898349 /nfs/dbraw/zinc/89/83/49/1165898349.db2.gz WMTCMNKGWMBORX-IUCAKERBSA-N -1 1 314.378 0.718 20 30 DCEDMM N#Cc1nc(N2CC[C@H]3CSC[C@@H]3C2)cnc1-c1nn[n-]n1 ZINC001581879750 1165898353 /nfs/dbraw/zinc/89/83/53/1165898353.db2.gz WMTCMNKGWMBORX-IUCAKERBSA-N -1 1 314.378 0.718 20 30 DCEDMM N#Cc1nc(N2CC[C@H](c3cccnc3)C2)cnc1-c1nnn[n-]1 ZINC001581879674 1165900205 /nfs/dbraw/zinc/90/02/05/1165900205.db2.gz TUTGHKYQIHUAOP-NSHDSACASA-N -1 1 319.332 0.917 20 30 DCEDMM N#Cc1nc(N2CC[C@H](c3cccnc3)C2)cnc1-c1nn[n-]n1 ZINC001581879674 1165900211 /nfs/dbraw/zinc/90/02/11/1165900211.db2.gz TUTGHKYQIHUAOP-NSHDSACASA-N -1 1 319.332 0.917 20 30 DCEDMM N#Cc1ncc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nc1-c1nn[n-]n1 ZINC001581883323 1165902098 /nfs/dbraw/zinc/90/20/98/1165902098.db2.gz WGTPDWSHQSQJLK-ZEGGKSINSA-N -1 1 324.348 0.898 20 30 DCEDMM N#Cc1ncc(NCC2(CO)CCCCC2)nc1-c1nn[n-]n1 ZINC001581883043 1165902398 /nfs/dbraw/zinc/90/23/98/1165902398.db2.gz NNCTWYOFGCOFRT-UHFFFAOYSA-N -1 1 314.353 0.883 20 30 DCEDMM N#Cc1ncc(NCc2cn(C3CCC3)nn2)nc1-c1nn[n-]n1 ZINC001581884070 1165904236 /nfs/dbraw/zinc/90/42/36/1165904236.db2.gz JAZQRGXAOKVQAG-UHFFFAOYSA-N -1 1 323.324 0.457 20 30 DCEDMM C#C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588327232 1166524847 /nfs/dbraw/zinc/52/48/47/1166524847.db2.gz FFYKHKXGIKFWIT-IUCAKERBSA-N -1 1 302.342 0.183 20 30 DCEDMM C#C[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001588329503 1166527601 /nfs/dbraw/zinc/52/76/01/1166527601.db2.gz HSVKXZVMDZCQNS-GFCCVEGCSA-N -1 1 312.333 0.420 20 30 DCEDMM C#C[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001588329503 1166527605 /nfs/dbraw/zinc/52/76/05/1166527605.db2.gz HSVKXZVMDZCQNS-GFCCVEGCSA-N -1 1 312.333 0.420 20 30 DCEDMM C#C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588330582 1166527736 /nfs/dbraw/zinc/52/77/36/1166527736.db2.gz GIVVQWLETTVTDP-MRVPVSSYSA-N -1 1 318.724 0.389 20 30 DCEDMM C#CCOCCN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001588362784 1166547197 /nfs/dbraw/zinc/54/71/97/1166547197.db2.gz SUOWTKUERLWBCF-UHFFFAOYSA-N -1 1 303.282 0.256 20 30 DCEDMM C#CCOCCN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001588362784 1166547204 /nfs/dbraw/zinc/54/72/04/1166547204.db2.gz SUOWTKUERLWBCF-UHFFFAOYSA-N -1 1 303.282 0.256 20 30 DCEDMM C#CCONC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588363687 1166549779 /nfs/dbraw/zinc/54/97/79/1166549779.db2.gz VDQICDYPHJDTSP-UHFFFAOYSA-N -1 1 312.211 0.575 20 30 DCEDMM C=C(C)CCC(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001588415191 1166550931 /nfs/dbraw/zinc/55/09/31/1166550931.db2.gz FEKVRGIIECYOKK-SNVBAGLBSA-N -1 1 316.369 0.930 20 30 DCEDMM C=C(C)CCC(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588415191 1166550938 /nfs/dbraw/zinc/55/09/38/1166550938.db2.gz FEKVRGIIECYOKK-SNVBAGLBSA-N -1 1 316.369 0.930 20 30 DCEDMM C=C[C@H](COC)NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001588526271 1166559943 /nfs/dbraw/zinc/55/99/43/1166559943.db2.gz UMHIDRRRUIYBAF-MRVPVSSYSA-N -1 1 319.325 0.593 20 30 DCEDMM C=C[C@@H](CC)CC(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588522776 1166561037 /nfs/dbraw/zinc/56/10/37/1166561037.db2.gz FXBXWWAUWOJMOK-JTQLQIEISA-N -1 1 316.369 0.787 20 30 DCEDMM C=C[C@@H](CC)CC(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588522776 1166561041 /nfs/dbraw/zinc/56/10/41/1166561041.db2.gz FXBXWWAUWOJMOK-JTQLQIEISA-N -1 1 316.369 0.787 20 30 DCEDMM C=CC[C@H](NCc1cccc(-c2nnn[n-]2)n1)C(=O)OCC ZINC001588548358 1166561667 /nfs/dbraw/zinc/56/16/67/1166561667.db2.gz CSRJSPVBQNLEKO-LBPRGKRZSA-N -1 1 302.338 0.859 20 30 DCEDMM C=CC[C@H](NCc1cccc(-c2nn[n-]n2)n1)C(=O)OCC ZINC001588548358 1166561672 /nfs/dbraw/zinc/56/16/72/1166561672.db2.gz CSRJSPVBQNLEKO-LBPRGKRZSA-N -1 1 302.338 0.859 20 30 DCEDMM C=CCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588571829 1166564179 /nfs/dbraw/zinc/56/41/79/1166564179.db2.gz PUSLDGDRSNCLFX-JTQLQIEISA-N -1 1 314.353 0.058 20 30 DCEDMM C=CCCC(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001588571240 1166564547 /nfs/dbraw/zinc/56/45/47/1166564547.db2.gz VRYFGOHGCNSNSO-SECBINFHSA-N -1 1 302.342 0.540 20 30 DCEDMM C=CCCC(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001588571240 1166564553 /nfs/dbraw/zinc/56/45/53/1166564553.db2.gz VRYFGOHGCNSNSO-SECBINFHSA-N -1 1 302.342 0.540 20 30 DCEDMM C=CCCC(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001588572363 1166565797 /nfs/dbraw/zinc/56/57/97/1166565797.db2.gz GHKTWURANIVYRO-PLNGDYQASA-N -1 1 314.353 0.707 20 30 DCEDMM C=CCCC(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001588572363 1166565800 /nfs/dbraw/zinc/56/58/00/1166565800.db2.gz GHKTWURANIVYRO-PLNGDYQASA-N -1 1 314.353 0.707 20 30 DCEDMM C=CCCCCCn1c(=O)c(-c2nn[n-]n2)cn(CC)c1=O ZINC001588596762 1166567960 /nfs/dbraw/zinc/56/79/60/1166567960.db2.gz YWSYGRGHMCWDIA-UHFFFAOYSA-N -1 1 304.354 0.956 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001588726102 1166581940 /nfs/dbraw/zinc/58/19/40/1166581940.db2.gz SQAYZVCYUCZTFL-JQWIXIFHSA-N -1 1 300.322 0.583 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001588726102 1166581946 /nfs/dbraw/zinc/58/19/46/1166581946.db2.gz SQAYZVCYUCZTFL-JQWIXIFHSA-N -1 1 300.322 0.583 20 30 DCEDMM C=Cn1cc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)cn1 ZINC001588737763 1166583501 /nfs/dbraw/zinc/58/35/01/1166583501.db2.gz IJNQASMEYPVSLJ-UHFFFAOYSA-N -1 1 310.321 0.824 20 30 DCEDMM C[C@H](C(=O)NCc1cccc(C#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588999206 1166625877 /nfs/dbraw/zinc/62/58/77/1166625877.db2.gz YPPJAAYYUZSJBT-SECBINFHSA-N -1 1 323.320 0.207 20 30 DCEDMM C[C@H](C(=O)Nc1ccccc1C#N)n1cnc(-c2nn[n-]n2)n1 ZINC001589020083 1166628176 /nfs/dbraw/zinc/62/81/76/1166628176.db2.gz CMRYJWPHLJWWEC-MRVPVSSYSA-N -1 1 309.293 0.530 20 30 DCEDMM CC(C)(C)[NH2+]CCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC001589141426 1166637642 /nfs/dbraw/zinc/63/76/42/1166637642.db2.gz LRTASIAXCLNSEN-UHFFFAOYSA-N -1 1 303.330 0.178 20 30 DCEDMM CC(C)(CC#N)CS(=O)(=O)Oc1cccnc1-c1nn[n-]n1 ZINC001589267316 1166641858 /nfs/dbraw/zinc/64/18/58/1166641858.db2.gz PIXIATLNLYOHCW-UHFFFAOYSA-N -1 1 322.350 0.910 20 30 DCEDMM C[C@@H]1CCC[C@@]1(O)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590246594 1166826812 /nfs/dbraw/zinc/82/68/12/1166826812.db2.gz DECLDFZCPGQCNJ-AMIZOPFISA-N -1 1 300.326 0.491 20 30 DCEDMM C[C@@H]1CCC[C@@]1(O)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590246594 1166826821 /nfs/dbraw/zinc/82/68/21/1166826821.db2.gz DECLDFZCPGQCNJ-AMIZOPFISA-N -1 1 300.326 0.491 20 30 DCEDMM CCC(CC)(CO)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590428907 1166904778 /nfs/dbraw/zinc/90/47/78/1166904778.db2.gz XHHFQFOKJOVWEO-UHFFFAOYSA-N -1 1 302.342 0.739 20 30 DCEDMM CCC(CC)(CO)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590428907 1166904780 /nfs/dbraw/zinc/90/47/80/1166904780.db2.gz XHHFQFOKJOVWEO-UHFFFAOYSA-N -1 1 302.342 0.739 20 30 DCEDMM CCN(Cc1cnc2c(-c3nnn[n-]3)cnn2c1)C[C@@H](C)C#N ZINC001590721041 1166984119 /nfs/dbraw/zinc/98/41/19/1166984119.db2.gz GAIRTZCCVIGJGN-JTQLQIEISA-N -1 1 311.353 0.891 20 30 DCEDMM CCN(Cc1cnc2c(-c3nn[n-]n3)cnn2c1)C[C@@H](C)C#N ZINC001590721041 1166984123 /nfs/dbraw/zinc/98/41/23/1166984123.db2.gz GAIRTZCCVIGJGN-JTQLQIEISA-N -1 1 311.353 0.891 20 30 DCEDMM COc1ccc2c(c1)C[C@@H](Cn1cnc(-c3nn[n-]n3)c1C#N)O2 ZINC001591626354 1167341694 /nfs/dbraw/zinc/34/16/94/1167341694.db2.gz LZWLPXYXLGEFGE-NSHDSACASA-N -1 1 323.316 0.947 20 30 DCEDMM CSC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001591698192 1167357821 /nfs/dbraw/zinc/35/78/21/1167357821.db2.gz PYRJNBRJRXEWRL-MRVPVSSYSA-N -1 1 302.367 0.860 20 30 DCEDMM CSC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001591698192 1167357827 /nfs/dbraw/zinc/35/78/27/1167357827.db2.gz PYRJNBRJRXEWRL-MRVPVSSYSA-N -1 1 302.367 0.860 20 30 DCEDMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)ncc1C#N ZINC001591935497 1167423688 /nfs/dbraw/zinc/42/36/88/1167423688.db2.gz SRUOZCRPDHHFIN-UHFFFAOYSA-N -1 1 309.293 0.428 20 30 DCEDMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)ncc1C#N ZINC001591935497 1167423690 /nfs/dbraw/zinc/42/36/90/1167423690.db2.gz SRUOZCRPDHHFIN-UHFFFAOYSA-N -1 1 309.293 0.428 20 30 DCEDMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N[C@@H](C)CC#N ZINC001591989756 1167430026 /nfs/dbraw/zinc/43/00/26/1167430026.db2.gz HFMHRDTVGIEGIW-QMMMGPOBSA-N -1 1 324.341 0.895 20 30 DCEDMM Cc1nn(Cc2nc(C#N)cs2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592438007 1167523440 /nfs/dbraw/zinc/52/34/40/1167523440.db2.gz PLQWLLMQRULYRH-UHFFFAOYSA-N -1 1 314.334 0.417 20 30 DCEDMM N#Cc1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)ccn1 ZINC001592688017 1167602929 /nfs/dbraw/zinc/60/29/29/1167602929.db2.gz SKDMSVYBJMIZQI-UHFFFAOYSA-N -1 1 307.273 0.885 20 30 DCEDMM N#Cc1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)ccn1 ZINC001592688017 1167602932 /nfs/dbraw/zinc/60/29/32/1167602932.db2.gz SKDMSVYBJMIZQI-UHFFFAOYSA-N -1 1 307.273 0.885 20 30 DCEDMM N#Cc1cnccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592703744 1167603796 /nfs/dbraw/zinc/60/37/96/1167603796.db2.gz AFPSPLFGYMOAJL-UHFFFAOYSA-N -1 1 306.289 0.131 20 30 DCEDMM N#Cc1cnccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592703744 1167603802 /nfs/dbraw/zinc/60/38/02/1167603802.db2.gz AFPSPLFGYMOAJL-UHFFFAOYSA-N -1 1 306.289 0.131 20 30 DCEDMM N#Cc1ncn(C[C@@H]2CCC3(CCOCC3)O2)c1-c1nn[n-]n1 ZINC001592709428 1167609822 /nfs/dbraw/zinc/60/98/22/1167609822.db2.gz FIOZGVKUGJVIOX-JTQLQIEISA-N -1 1 315.337 0.663 20 30 DCEDMM N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)[O-])c(F)c1 ZINC001601089419 1168583854 /nfs/dbraw/zinc/58/38/54/1168583854.db2.gz JXKHQOMZNJTEAY-HTQZYQBOSA-N -1 1 316.285 0.835 20 30 DCEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCN3CCOC[C@@H]3C2)c1 ZINC001601119106 1168587569 /nfs/dbraw/zinc/58/75/69/1168587569.db2.gz NVZHPBISCMRLNH-LSDHHAIUSA-N -1 1 301.346 0.700 20 30 DCEDMM C#CCN1CCC[C@H]1COC(=O)Cn1cccc(C(=O)[O-])c1=O ZINC001602720588 1169169710 /nfs/dbraw/zinc/16/97/10/1169169710.db2.gz ZSEJPRGPBSTTCA-LBPRGKRZSA-N -1 1 318.329 0.187 20 30 DCEDMM C#CCN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001602720084 1169170014 /nfs/dbraw/zinc/17/00/14/1169170014.db2.gz NDTABJJZHGVCLU-UHFFFAOYSA-N -1 1 304.335 0.048 20 30 DCEDMM C#CCN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001602720084 1169170021 /nfs/dbraw/zinc/17/00/21/1169170021.db2.gz NDTABJJZHGVCLU-UHFFFAOYSA-N -1 1 304.335 0.048 20 30 DCEDMM C=C[C@H](C(=O)[O-])N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC001602804925 1169186988 /nfs/dbraw/zinc/18/69/88/1169186988.db2.gz VIBKYKOJSHDESY-LLVKDONJSA-N -1 1 308.338 0.178 20 30 DCEDMM C[C@]1(C#N)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001603738035 1169374985 /nfs/dbraw/zinc/37/49/85/1169374985.db2.gz KAAOFHYBZWPWEA-ZDUSSCGKSA-N -1 1 314.309 0.408 20 30 DCEDMM C[C@]1(C#N)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001603738035 1169374993 /nfs/dbraw/zinc/37/49/93/1169374993.db2.gz KAAOFHYBZWPWEA-ZDUSSCGKSA-N -1 1 314.309 0.408 20 30 DCEDMM CC[C@@H](CC#N)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001604013173 1169470305 /nfs/dbraw/zinc/47/03/05/1169470305.db2.gz DGHSSIQOWGDGGR-VIFPVBQESA-N -1 1 324.341 0.976 20 30 DCEDMM CCOC[C@@H]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001604425885 1169590427 /nfs/dbraw/zinc/59/04/27/1169590427.db2.gz JTWZMNDTDTWGDY-SECBINFHSA-N -1 1 300.326 0.391 20 30 DCEDMM CN(c1cnc(-c2nnn[n-]2)c(C#N)n1)[C@H](CO)CC(C)(C)C ZINC001604830943 1169699890 /nfs/dbraw/zinc/69/98/90/1169699890.db2.gz GLMOPSZKCHDQEG-VIFPVBQESA-N -1 1 316.369 0.762 20 30 DCEDMM CN(c1cnc(-c2nn[n-]n2)c(C#N)n1)[C@H](CO)CC(C)(C)C ZINC001604830943 1169699896 /nfs/dbraw/zinc/69/98/96/1169699896.db2.gz GLMOPSZKCHDQEG-VIFPVBQESA-N -1 1 316.369 0.762 20 30 DCEDMM CO[C@](C)(CNc1cnc(C#N)c(-c2nn[n-]n2)n1)C1CC1 ZINC001604997840 1169775240 /nfs/dbraw/zinc/77/52/40/1169775240.db2.gz JSDWNFXKMOLHKA-CYBMUJFWSA-N -1 1 300.326 0.755 20 30 DCEDMM Cc1noc(C)c1C(=O)Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001606128819 1170086062 /nfs/dbraw/zinc/08/60/62/1170086062.db2.gz QYYQGQHNBASBHK-UHFFFAOYSA-N -1 1 312.293 0.731 20 30 DCEDMM CN1CCN(C(=O)c2sccc2CC#N)C[C@@H](C(=O)[O-])C1 ZINC001606238401 1170130462 /nfs/dbraw/zinc/13/04/62/1170130462.db2.gz YMKRDBUTGSPIBS-NSHDSACASA-N -1 1 307.375 0.903 20 30 DCEDMM N#Cc1nc(NC[C@H](O)c2ccncc2)cnc1-c1nnn[n-]1 ZINC001606393637 1170182195 /nfs/dbraw/zinc/18/21/95/1170182195.db2.gz ZKIJAXAITZIONH-JTQLQIEISA-N -1 1 309.293 0.069 20 30 DCEDMM N#Cc1nc(NC[C@H](O)c2ccncc2)cnc1-c1nn[n-]n1 ZINC001606393637 1170182198 /nfs/dbraw/zinc/18/21/98/1170182198.db2.gz ZKIJAXAITZIONH-JTQLQIEISA-N -1 1 309.293 0.069 20 30 DCEDMM N#Cc1ncc(N2CC[C@H](n3cccn3)C2)nc1-c1nn[n-]n1 ZINC001606397218 1170183967 /nfs/dbraw/zinc/18/39/67/1170183967.db2.gz LEFRYZIWXKZOSE-VIFPVBQESA-N -1 1 308.309 0.176 20 30 DCEDMM N#Cc1ncn(Cc2nnc3n2CCCCC3)c1-c1nn[n-]n1 ZINC001606399151 1170185578 /nfs/dbraw/zinc/18/55/78/1170185578.db2.gz OVJZYPLITOWZMJ-UHFFFAOYSA-N -1 1 310.325 0.301 20 30 DCEDMM C[C@H](C(=O)N(C)c1cccc(C#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001609067684 1170797293 /nfs/dbraw/zinc/79/72/93/1170797293.db2.gz CDDKPJLWFFVZDP-SECBINFHSA-N -1 1 323.320 0.554 20 30 DCEDMM Cc1c(C#N)cccc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609379564 1170957825 /nfs/dbraw/zinc/95/78/25/1170957825.db2.gz ORVRFZGOZBLGEQ-VIFPVBQESA-N -1 1 323.320 0.838 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(N=NCC(C)(C)N2CCOCC2)o1 ZINC001609446287 1170980551 /nfs/dbraw/zinc/98/05/51/1170980551.db2.gz VKLPMGCQKZZCTM-UHFFFAOYSA-N -1 1 320.357 0.672 20 30 DCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(C#N)cn1 ZINC001609467319 1170990293 /nfs/dbraw/zinc/99/02/93/1170990293.db2.gz BNSNZVLBZNSCMA-UHFFFAOYSA-N -1 1 309.289 0.965 20 30 DCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(C#N)cn1 ZINC001609467319 1170990297 /nfs/dbraw/zinc/99/02/97/1170990297.db2.gz BNSNZVLBZNSCMA-UHFFFAOYSA-N -1 1 309.289 0.965 20 30 DCEDMM N#Cc1ncn(Cc2cn(-c3ccccc3)nn2)c1-c1nn[n-]n1 ZINC001609501083 1170999424 /nfs/dbraw/zinc/99/94/24/1170999424.db2.gz AKDJKMXQJKBGOL-UHFFFAOYSA-N -1 1 318.304 0.564 20 30 DCEDMM N#Cc1ccc(OCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001609499482 1170999894 /nfs/dbraw/zinc/99/98/94/1170999894.db2.gz SENPELCBBJLNLY-UHFFFAOYSA-N -1 1 310.277 0.236 20 30 DCEDMM C#CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001622335313 1171422757 /nfs/dbraw/zinc/42/27/57/1171422757.db2.gz ZHYSIYHFGSFQAC-VIFPVBQESA-N -1 1 318.738 0.911 20 30 DCEDMM C#CC[C@H](NC(=O)c1c(C)[n-]c(=O)nc1SC)C(=O)OC ZINC001629617443 1171554613 /nfs/dbraw/zinc/55/46/13/1171554613.db2.gz POBQINYUKGGXRI-QMMMGPOBSA-N -1 1 309.347 0.507 20 30 DCEDMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)CC1(C#N)CC1 ZINC001646847982 1172562728 /nfs/dbraw/zinc/56/27/28/1172562728.db2.gz LXDZLDFVAFBYBM-UHFFFAOYSA-N -1 1 301.306 0.506 20 30 DCEDMM C#CCOCCC(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001673102705 1173760523 /nfs/dbraw/zinc/76/05/23/1173760523.db2.gz MEAPKSOEJRZTGZ-GFCCVEGCSA-N -1 1 321.381 0.021 20 30 DCEDMM C#CCCS(=O)(=O)[N-][C@H](c1cnn(C)c1)c1noc(C)n1 ZINC001655462170 1173820223 /nfs/dbraw/zinc/82/02/23/1173820223.db2.gz VNRUUOUJLIVYAU-LLVKDONJSA-N -1 1 309.351 0.144 20 30 DCEDMM C=CCCCC(=O)N[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC001675467528 1175361650 /nfs/dbraw/zinc/36/16/50/1175361650.db2.gz HXUXBVKVIXXNME-LBPRGKRZSA-N -1 1 321.425 0.791 20 30 DCEDMM C=CCCC(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@H]1C ZINC001676859950 1175494715 /nfs/dbraw/zinc/49/47/15/1175494715.db2.gz NXWVYUQZUCAUGM-NWDGAFQWSA-N -1 1 307.398 0.544 20 30 DCEDMM C[C@H](C#N)C(=O)NCCCOCCNC(=O)c1ncccc1[O-] ZINC001679746516 1175752018 /nfs/dbraw/zinc/75/20/18/1175752018.db2.gz OISPAEAULKTXSH-LLVKDONJSA-N -1 1 320.349 0.200 20 30 DCEDMM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001692190801 1177442083 /nfs/dbraw/zinc/44/20/83/1177442083.db2.gz IPSSVSXSTRSSFS-NEPJUHHUSA-N -1 1 321.425 0.790 20 30 DCEDMM C#CCCCC(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)[C@H]1C ZINC001700872895 1178785533 /nfs/dbraw/zinc/78/55/33/1178785533.db2.gz AJOMFBDHVSKVRW-STQMWFEESA-N -1 1 319.409 0.381 20 30 DCEDMM C=CCCC(=O)NC[C@@H]1CCCCN1Cc1nc(=O)n(C)[n-]1 ZINC001713249536 1180737722 /nfs/dbraw/zinc/73/77/22/1180737722.db2.gz RESQAYAOYVKAMG-LBPRGKRZSA-N -1 1 307.398 0.545 20 30 DCEDMM C=CCN1CC[C@H](N(C)CCNC(=O)c2ncccc2[O-])C1=O ZINC001713450667 1180825335 /nfs/dbraw/zinc/82/53/35/1180825335.db2.gz CUQVMWRXUUUOTP-LBPRGKRZSA-N -1 1 318.377 0.236 20 30 DCEDMM C=C(C)CCC(=O)N(C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001715015079 1181649578 /nfs/dbraw/zinc/64/95/78/1181649578.db2.gz LKSYXWGWJPKFRM-GFCCVEGCSA-N -1 1 307.398 0.497 20 30 DCEDMM C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1nc(=O)n(C)[n-]1 ZINC001717029956 1182636092 /nfs/dbraw/zinc/63/60/92/1182636092.db2.gz MSRKGWKORFBUKQ-OLZOCXBDSA-N -1 1 319.409 0.640 20 30 DCEDMM C=C1CCC(C(=O)NC[C@@H](C)N(C)Cc2nc(=O)n(C)[n-]2)CC1 ZINC001717486349 1182857091 /nfs/dbraw/zinc/85/70/91/1182857091.db2.gz FJALIWPGYHAXHS-GFCCVEGCSA-N -1 1 321.425 0.791 20 30 DCEDMM C#CCCCCC(=O)NC[C@@H](CO)NC(=O)c1ncccc1[O-] ZINC001718609226 1183282818 /nfs/dbraw/zinc/28/28/18/1183282818.db2.gz GQEXUVNHHHRDRG-LBPRGKRZSA-N -1 1 319.361 0.188 20 30 DCEDMM CC(C)C#CC(=O)NC/C=C/CNC(=O)c1ncccc1[O-] ZINC001721839122 1184072625 /nfs/dbraw/zinc/07/26/25/1184072625.db2.gz ZJAXGAPRJOZGIZ-ONEGZZNKSA-N -1 1 301.346 0.849 20 30 DCEDMM C=C[C@](C)(O)CC(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C(C)(C)C1 ZINC001725672333 1184935770 /nfs/dbraw/zinc/93/57/70/1184935770.db2.gz UVIPCFNOGLOCFW-BONVTDFDSA-N -1 1 323.397 0.164 20 30 DCEDMM C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001731831273 1185513585 /nfs/dbraw/zinc/51/35/85/1185513585.db2.gz HURHLBHAHQRZAO-GFCCVEGCSA-N -1 1 321.425 0.791 20 30 DCEDMM C#CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001732606074 1185871350 /nfs/dbraw/zinc/87/13/50/1185871350.db2.gz YNQFLRBPSSXECE-QWHCGFSZSA-N -1 1 317.393 0.737 20 30 DCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](CC)CNC(=O)c1ncccc1[O-] ZINC001738118448 1187478692 /nfs/dbraw/zinc/47/86/92/1187478692.db2.gz VKOUHFPLGJYIPR-BDJLRTHQSA-N -1 1 321.377 0.739 20 30 DCEDMM C#CCCCC(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001747776710 1188291507 /nfs/dbraw/zinc/29/15/07/1188291507.db2.gz NVCBATAVANOUCK-UHFFFAOYSA-N -1 1 301.346 0.969 20 30 DCEDMM C=CCOCC(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001756019425 1189277240 /nfs/dbraw/zinc/27/72/40/1189277240.db2.gz BDTCBANSLSDQQQ-NSHDSACASA-N -1 1 307.350 0.567 20 30 DCEDMM CC(C)C#CC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001759239531 1190137658 /nfs/dbraw/zinc/13/76/58/1190137658.db2.gz IMVBJNWAFJERCT-UHFFFAOYSA-N -1 1 301.346 0.635 20 30 DCEDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)C1CN(CC#N)C1 ZINC001043504737 752262677 /nfs/dbraw/zinc/26/26/77/752262677.db2.gz MPMQOGPDOWMUCM-UHFFFAOYSA-N -1 1 303.366 0.894 20 30 DCEDMM C=CC[N@@H+]1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1CC ZINC001087683376 749017898 /nfs/dbraw/zinc/01/78/98/749017898.db2.gz ZESMGEPQJZAOKE-NWDGAFQWSA-N -1 1 306.366 0.255 20 30 DCEDMM C=CCCN1CC(N(C)C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001044020250 752521161 /nfs/dbraw/zinc/52/11/61/752521161.db2.gz PGWSYYWONNOPDV-UHFFFAOYSA-N -1 1 301.350 0.355 20 30 DCEDMM C#CCN1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)CC[C@H]1C ZINC001071875115 762195819 /nfs/dbraw/zinc/19/58/19/762195819.db2.gz ACEBQNKCZQTDTM-VXGBXAGGSA-N -1 1 313.361 0.239 20 30 DCEDMM N#Cc1nccnc1N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001061345009 753795918 /nfs/dbraw/zinc/79/59/18/753795918.db2.gz XWMHVTASHZSMQX-NSHDSACASA-N -1 1 324.344 0.848 20 30 DCEDMM C=CCCC(=O)NC[C@H]1COCCN1C(=O)c1ncccc1[O-] ZINC001061408083 753866071 /nfs/dbraw/zinc/86/60/71/753866071.db2.gz UKFQJSRNJLNINW-LBPRGKRZSA-N -1 1 319.361 0.711 20 30 DCEDMM C=CCCC(=O)N1CCOC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001061523597 754011963 /nfs/dbraw/zinc/01/19/63/754011963.db2.gz RQSGQWISDOSRFB-GFCCVEGCSA-N -1 1 319.361 0.711 20 30 DCEDMM 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C=CC[C@H](CO)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867099854 671750876 /nfs/dbraw/zinc/75/08/76/671750876.db2.gz BUZFDVHFEDLELV-SSDOTTSWSA-N -1 1 313.301 0.654 20 30 DCEDMM C#CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(=O)OC ZINC000841539685 671941049 /nfs/dbraw/zinc/94/10/49/671941049.db2.gz DUGJZDAVNTXZTH-VIFPVBQESA-N -1 1 303.286 0.808 20 30 DCEDMM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000842299063 672004313 /nfs/dbraw/zinc/00/43/13/672004313.db2.gz HOPXOCLZKHFUET-GHMZBOCLSA-N -1 1 309.303 0.169 20 30 DCEDMM C#CCN1CC[C@H](C)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000968400276 690252282 /nfs/dbraw/zinc/25/22/82/690252282.db2.gz OGMUPZXFMJPBDR-WCQYABFASA-N -1 1 313.361 0.096 20 30 DCEDMM C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1ncccc1[O-] ZINC001076245202 695008364 /nfs/dbraw/zinc/00/83/64/695008364.db2.gz RZMSRCREMXGICA-NWDGAFQWSA-N -1 1 319.361 0.450 20 30 DCEDMM CC(C)C#CC(=O)N[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CC1(C)C ZINC001570894202 1162645220 /nfs/dbraw/zinc/64/52/20/1162645220.db2.gz DFSILMRTASIKMJ-LBPRGKRZSA-N -1 1 319.409 0.094 20 30 DCEDMM C=C[C@@](C)(O)CC(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001744907556 1157692343 /nfs/dbraw/zinc/69/23/43/1157692343.db2.gz STQNGJHLSIYLGJ-BDJLRTHQSA-N -1 1 321.377 0.739 20 30 DCEDMM C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001691652265 1158647176 /nfs/dbraw/zinc/64/71/76/1158647176.db2.gz KKGRRZPDCUOYNF-STQMWFEESA-N -1 1 321.425 0.743 20 30 DCEDMM C[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)[C@@H](O)C(F)(F)F ZINC001575444918 1164017859 /nfs/dbraw/zinc/01/78/59/1164017859.db2.gz NOHBUUFDUPUPEZ-RNHFCUEFSA-N -1 1 314.231 0.252 20 30 DCEDMM C[C@]1(CCCO)CCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001575768260 1164142712 /nfs/dbraw/zinc/14/27/12/1164142712.db2.gz MRCFQAJYORFRQU-CQSZACIVSA-N -1 1 314.353 0.660 20 30 DCEDMM CCN(CCNc1nccnc1-c1nnn[n-]1)C(=O)[C@@H](C)C#N ZINC001578163348 1164941859 /nfs/dbraw/zinc/94/18/59/1164941859.db2.gz MNSCSSVLTIQPNQ-VIFPVBQESA-N -1 1 315.341 0.077 20 30 DCEDMM CCN(CCNc1nccnc1-c1nn[n-]n1)C(=O)[C@@H](C)C#N ZINC001578163348 1164941864 /nfs/dbraw/zinc/94/18/64/1164941864.db2.gz MNSCSSVLTIQPNQ-VIFPVBQESA-N -1 1 315.341 0.077 20 30 DCEDMM CCOC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001578373629 1164989965 /nfs/dbraw/zinc/98/99/65/1164989965.db2.gz GSACYBYJUAJXCY-JTQLQIEISA-N -1 1 314.353 0.924 20 30 DCEDMM CCOC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001578373629 1164989967 /nfs/dbraw/zinc/98/99/67/1164989967.db2.gz GSACYBYJUAJXCY-JTQLQIEISA-N -1 1 314.353 0.924 20 30 DCEDMM C[NH+](C)C1(C(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)CCCC1 ZINC001578966092 1165172035 /nfs/dbraw/zinc/17/20/35/1165172035.db2.gz FNCMBFYJGYIZPH-UHFFFAOYSA-N -1 1 315.341 0.274 20 30 DCEDMM CN(C)c1cc(C#N)cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001578995939 1165181873 /nfs/dbraw/zinc/18/18/73/1165181873.db2.gz HMIDOHTUFDTKMA-UHFFFAOYSA-N -1 1 323.320 0.780 20 30 DCEDMM COC(=O)C1(C#N)CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001579439063 1165310746 /nfs/dbraw/zinc/31/07/46/1165310746.db2.gz XZNOLRYRWIOORL-UHFFFAOYSA-N -1 1 313.321 0.545 20 30 DCEDMM COC(=O)C1(C#N)CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001579439063 1165310756 /nfs/dbraw/zinc/31/07/56/1165310756.db2.gz XZNOLRYRWIOORL-UHFFFAOYSA-N -1 1 313.321 0.545 20 30 DCEDMM Cc1[nH]c(C#N)cc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001580470424 1165612683 /nfs/dbraw/zinc/61/26/83/1165612683.db2.gz HITWREVTDLDMRZ-UHFFFAOYSA-N -1 1 314.334 0.761 20 30 DCEDMM Cc1[nH]c(C#N)cc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001580470424 1165612688 /nfs/dbraw/zinc/61/26/88/1165612688.db2.gz HITWREVTDLDMRZ-UHFFFAOYSA-N -1 1 314.334 0.761 20 30 DCEDMM Cc1c([C@@H]2C[C@H]2Nc2cnc(-c3nnn[n-]3)c(C#N)n2)cnn1C ZINC001580561381 1165639852 /nfs/dbraw/zinc/63/98/52/1165639852.db2.gz AHFUTTJYXMCOSO-WCBMZHEXSA-N -1 1 322.336 0.538 20 30 DCEDMM Cc1c([C@@H]2C[C@H]2Nc2cnc(-c3nn[n-]n3)c(C#N)n2)cnn1C ZINC001580561381 1165639855 /nfs/dbraw/zinc/63/98/55/1165639855.db2.gz AHFUTTJYXMCOSO-WCBMZHEXSA-N -1 1 322.336 0.538 20 30 DCEDMM N#C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001581859945 1165891510 /nfs/dbraw/zinc/89/15/10/1165891510.db2.gz DNKGWFMDOJMJOH-JGVFFNPUSA-N -1 1 324.391 0.899 20 30 DCEDMM N#C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001581859945 1165891515 /nfs/dbraw/zinc/89/15/15/1165891515.db2.gz DNKGWFMDOJMJOH-JGVFFNPUSA-N -1 1 324.391 0.899 20 30 DCEDMM N#Cc1cc(NCCn2cnc(-c3nn[n-]n3)n2)nc(C2CC2)n1 ZINC001581870521 1165895901 /nfs/dbraw/zinc/89/59/01/1165895901.db2.gz GAGDXWYYMFVQLS-UHFFFAOYSA-N -1 1 323.324 0.109 20 30 DCEDMM N#Cc1nc(N[C@H]2CCC3(C2)OCCO3)cnc1-c1nnn[n-]1 ZINC001581880180 1165899880 /nfs/dbraw/zinc/89/98/80/1165899880.db2.gz BZSVFPMWFNNVPV-QMMMGPOBSA-N -1 1 314.309 0.236 20 30 DCEDMM N#Cc1nc(N[C@H]2CCC3(C2)OCCO3)cnc1-c1nn[n-]n1 ZINC001581880180 1165899886 /nfs/dbraw/zinc/89/98/86/1165899886.db2.gz BZSVFPMWFNNVPV-QMMMGPOBSA-N -1 1 314.309 0.236 20 30 DCEDMM N#Cc1ncc(Sc2nc(CO)cs2)nc1-c1nn[n-]n1 ZINC001581885225 1165903702 /nfs/dbraw/zinc/90/37/02/1165903702.db2.gz SCNLFQKQPATWEC-UHFFFAOYSA-N -1 1 318.347 0.628 20 30 DCEDMM N#Cc1ncn(CC(=O)CC[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC001581885537 1165903960 /nfs/dbraw/zinc/90/39/60/1165903960.db2.gz DHNLCSFXHYNEGT-NSHDSACASA-N -1 1 315.337 0.853 20 30 DCEDMM N#Cc1ncn(CC(=O)[C@H](C#N)c2ccccc2)c1-c1nn[n-]n1 ZINC001581885895 1165904581 /nfs/dbraw/zinc/90/45/81/1165904581.db2.gz QWRRUQUGOCJOOO-LLVKDONJSA-N -1 1 318.300 0.811 20 30 DCEDMM C=C[C@](C)(O)CC(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001581985102 1165930849 /nfs/dbraw/zinc/93/08/49/1165930849.db2.gz DSRDMKRNESCWEC-HNNXBMFYSA-N -1 1 305.334 0.055 20 30 DCEDMM C#C[C@@H]1CCCN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001588332717 1166528841 /nfs/dbraw/zinc/52/88/41/1166528841.db2.gz QQBXXRKCOHSBTN-SNVBAGLBSA-N -1 1 312.333 0.898 20 30 DCEDMM C#C[C@@H]1CCCN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001588332717 1166528846 /nfs/dbraw/zinc/52/88/46/1166528846.db2.gz QQBXXRKCOHSBTN-SNVBAGLBSA-N -1 1 312.333 0.898 20 30 DCEDMM C=C(C)C[C@@H](CO)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 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0.859 20 30 DCEDMM C=CCOCCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001588688914 1166582849 /nfs/dbraw/zinc/58/28/49/1166582849.db2.gz CMECPBSSFCNGBO-UHFFFAOYSA-N -1 1 315.333 0.750 20 30 DCEDMM CC(C)(C)OC(=O)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589155485 1166638034 /nfs/dbraw/zinc/63/80/34/1166638034.db2.gz DTOFRAHSYOFKJB-UHFFFAOYSA-N -1 1 302.298 0.282 20 30 DCEDMM CC(C)CC[C@H](CO)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589587360 1166667322 /nfs/dbraw/zinc/66/73/22/1166667322.db2.gz WKHWHXHAQOCVKV-SECBINFHSA-N -1 1 302.342 0.737 20 30 DCEDMM C[C@@H](O)[C@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001589995086 1166741665 /nfs/dbraw/zinc/74/16/65/1166741665.db2.gz JIYAOAGZBDFPMT-BDAKNGLRSA-N -1 1 300.326 0.126 20 30 DCEDMM C[C@H](O)CN(C)N=C1CCCc2c1c[nH]c(=O)c2-c1nn[n-]n1 ZINC001590000029 1166748799 /nfs/dbraw/zinc/74/87/99/1166748799.db2.gz CXTOGEJASYAENP-QMMMGPOBSA-N -1 1 317.353 0.320 20 30 DCEDMM C[C@]1(C#N)CN(C(=O)c2ccsc2-c2nnn[n-]2)CCO1 ZINC001590056305 1166759168 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C[C@H]1N(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCOC1(C)C ZINC001590331010 1166868088 /nfs/dbraw/zinc/86/80/88/1166868088.db2.gz IYRCAQJGQPMNNG-MRVPVSSYSA-N -1 1 300.326 0.532 20 30 DCEDMM C[C@H]1N(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCOC1(C)C ZINC001590331010 1166868097 /nfs/dbraw/zinc/86/80/97/1166868097.db2.gz IYRCAQJGQPMNNG-MRVPVSSYSA-N -1 1 300.326 0.532 20 30 DCEDMM CC[C@]1(C)CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001590490237 1166923663 /nfs/dbraw/zinc/92/36/63/1166923663.db2.gz KFBNJZACUCZUFF-CYBMUJFWSA-N -1 1 300.326 0.534 20 30 DCEDMM CCCCCCN(O)C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001590594299 1166947248 /nfs/dbraw/zinc/94/72/48/1166947248.db2.gz JTWXXDBSTISQBH-VIFPVBQESA-N -1 1 308.346 0.817 20 30 DCEDMM CCOC1(C)CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001590783868 1167017848 /nfs/dbraw/zinc/01/78/48/1167017848.db2.gz JOFUBQVTHXLQNN-UHFFFAOYSA-N -1 1 314.353 0.924 20 30 DCEDMM CCOC1(C)CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001590783868 1167017853 /nfs/dbraw/zinc/01/78/53/1167017853.db2.gz 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1167605970 /nfs/dbraw/zinc/60/59/70/1167605970.db2.gz NMLGJWKTMDEYEZ-UHFFFAOYSA-N -1 1 311.334 0.548 20 30 DCEDMM N#Cc1nc(N2CCc3ncsc3C2)cnc1-c1nn[n-]n1 ZINC001592706319 1167605977 /nfs/dbraw/zinc/60/59/77/1167605977.db2.gz NMLGJWKTMDEYEZ-UHFFFAOYSA-N -1 1 311.334 0.548 20 30 DCEDMM N#Cc1nc(NCC2(CO)CCCC2)cnc1-c1nnn[n-]1 ZINC001592708054 1167606338 /nfs/dbraw/zinc/60/63/38/1167606338.db2.gz RMGOHFRSOTWEJH-UHFFFAOYSA-N -1 1 300.326 0.493 20 30 DCEDMM N#Cc1nc(NCC2(CO)CCCC2)cnc1-c1nn[n-]n1 ZINC001592708054 1167606343 /nfs/dbraw/zinc/60/63/43/1167606343.db2.gz RMGOHFRSOTWEJH-UHFFFAOYSA-N -1 1 300.326 0.493 20 30 DCEDMM N#Cc1nc(NCCOC(F)(F)F)cnc1-c1nnn[n-]1 ZINC001592707518 1167606501 /nfs/dbraw/zinc/60/65/01/1167606501.db2.gz JFNFPQRMNSUZHM-UHFFFAOYSA-N -1 1 300.204 0.477 20 30 DCEDMM N#Cc1nc(NCCOC(F)(F)F)cnc1-c1nn[n-]n1 ZINC001592707518 1167606507 /nfs/dbraw/zinc/60/65/07/1167606507.db2.gz JFNFPQRMNSUZHM-UHFFFAOYSA-N -1 1 300.204 0.477 20 30 DCEDMM N#Cc1nc(NCC#C[C@H]2CCCCO2)cnc1-c1nnn[n-]1 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DCEDMM N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCCSCC(=O)[O-] ZINC001601115377 1168587659 /nfs/dbraw/zinc/58/76/59/1168587659.db2.gz NEZSIQLKPYDNBC-AWEZNQCLSA-N -1 1 319.386 0.679 20 30 DCEDMM N#Cc1nc(C(=O)[O-])ccc1N1CCN(CCCCO)CC1 ZINC001601132748 1168593259 /nfs/dbraw/zinc/59/32/59/1168593259.db2.gz CCVXFVQWEINWJE-UHFFFAOYSA-N -1 1 304.350 0.546 20 30 DCEDMM C#CC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001602691421 1169161864 /nfs/dbraw/zinc/16/18/64/1169161864.db2.gz XPYLJMUMLTWDQI-UHFFFAOYSA-N -1 1 303.347 0.529 20 30 DCEDMM C#CC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001602691421 1169161868 /nfs/dbraw/zinc/16/18/68/1169161868.db2.gz XPYLJMUMLTWDQI-UHFFFAOYSA-N -1 1 303.347 0.529 20 30 DCEDMM C#CCNC(=O)[C@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC001602722144 1169171770 /nfs/dbraw/zinc/17/17/70/1169171770.db2.gz CRILUEXWGTZXLR-ZETCQYMHSA-N -1 1 305.319 0.223 20 30 DCEDMM C#CCN1CCC(c2nnc(N3CC[C@H](C(=O)[O-])C3)n2C)CC1 ZINC001602721198 1169172032 /nfs/dbraw/zinc/17/20/32/1169172032.db2.gz 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CCC(O)(CC)CCNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001604066065 1169483967 /nfs/dbraw/zinc/48/39/67/1169483967.db2.gz IRSDUHVNEVVALG-UHFFFAOYSA-N -1 1 302.342 0.881 20 30 DCEDMM CCC[C@H](OCC)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001604150586 1169508065 /nfs/dbraw/zinc/50/80/65/1169508065.db2.gz BATPUUFTOTUCLH-QMMMGPOBSA-N -1 1 304.314 0.605 20 30 DCEDMM COC(=O)CCCCCNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001604934245 1169754690 /nfs/dbraw/zinc/75/46/90/1169754690.db2.gz JGRTYXHPGDCFIH-UHFFFAOYSA-N -1 1 316.325 0.674 20 30 DCEDMM CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001604961517 1169765854 /nfs/dbraw/zinc/76/58/54/1169765854.db2.gz SZEDSWRDFJMXEL-VIFPVBQESA-N -1 1 303.322 0.992 20 30 DCEDMM CO[C@@](C)(CNc1cnc(C#N)c(-c2nn[n-]n2)n1)C1CC1 ZINC001604997841 1169773404 /nfs/dbraw/zinc/77/34/04/1169773404.db2.gz JSDWNFXKMOLHKA-ZDUSSCGKSA-N -1 1 300.326 0.755 20 30 DCEDMM COc1cc(C#N)ccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001605191329 1169861729 /nfs/dbraw/zinc/86/17/29/1169861729.db2.gz 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20 30 DCEDMM N#Cc1cccc(O[N-]C(=O)CCn2cnc3c2ncnc3N)c1 ZINC001642628488 1171952874 /nfs/dbraw/zinc/95/28/74/1171952874.db2.gz KLAXGVIHKHTJQL-UHFFFAOYSA-N -1 1 323.316 0.780 20 30 DCEDMM COCCn1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1=O ZINC001645785502 1172139466 /nfs/dbraw/zinc/13/94/66/1172139466.db2.gz VENJDEXSBQDUBT-UHFFFAOYSA-N -1 1 323.330 0.760 20 30 DCEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)[C@@H]1C[C@@]12CCOC2 ZINC001647141636 1172698364 /nfs/dbraw/zinc/69/83/64/1172698364.db2.gz VJGLEJDGFYFSAV-IINYFYTJSA-N -1 1 306.343 0.678 20 30 DCEDMM CN1Cc2ccccc2[C@@H](Nc2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001647632375 1173008416 /nfs/dbraw/zinc/00/84/16/1173008416.db2.gz PBIDUIIKUBDFFQ-ZDUSSCGKSA-N -1 1 311.345 0.544 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001662631518 1174226714 /nfs/dbraw/zinc/22/67/14/1174226714.db2.gz KAIRDLRKUTZMRV-WPRPVWTQSA-N -1 1 315.351 0.066 20 30 DCEDMM C=CCNC(=O)CN1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001663487026 1174306045 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DCEDMM O=c1nc(NN=Cc2cc(CO)ccc2O)nc2[nH][n-]cc1-2 ZINC000814843188 670704709 /nfs/dbraw/zinc/70/47/09/670704709.db2.gz NWVCHQKUSCWCGG-UHFFFAOYSA-N -1 1 300.278 0.076 20 30 DCEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000859426860 671113432 /nfs/dbraw/zinc/11/34/32/671113432.db2.gz YHUHGDYHKJXMBJ-JTQLQIEISA-N -1 1 313.335 0.697 20 30 DCEDMM CN(CC#N)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825888557 671474499 /nfs/dbraw/zinc/47/44/99/671474499.db2.gz RLZJXLWUBNEJSX-UHFFFAOYSA-N -1 1 312.742 0.664 20 30 DCEDMM CN(CC#N)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825888557 671474500 /nfs/dbraw/zinc/47/45/00/671474500.db2.gz RLZJXLWUBNEJSX-UHFFFAOYSA-N -1 1 312.742 0.664 20 30 DCEDMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)cc1 ZINC000826209537 671482260 /nfs/dbraw/zinc/48/22/60/671482260.db2.gz HBWOZTQBLIWOMI-UHFFFAOYSA-N -1 1 324.304 0.582 20 30 DCEDMM Cc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)c2C#N)c1 ZINC000826299686 671482998 /nfs/dbraw/zinc/48/29/98/671482998.db2.gz 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1165902484 /nfs/dbraw/zinc/90/24/84/1165902484.db2.gz LNOHPHQTYOJKGI-UHFFFAOYSA-N -1 1 314.259 0.841 20 30 DCEDMM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)C1CCOCC1 ZINC001588330271 1166525381 /nfs/dbraw/zinc/52/53/81/1166525381.db2.gz YLKNOQNVURYOKN-JTQLQIEISA-N -1 1 301.306 0.618 20 30 DCEDMM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCOCC1 ZINC001588330271 1166525387 /nfs/dbraw/zinc/52/53/87/1166525387.db2.gz YLKNOQNVURYOKN-JTQLQIEISA-N -1 1 301.306 0.618 20 30 DCEDMM C#CC[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C(=O)OC ZINC001588333919 1166530980 /nfs/dbraw/zinc/53/09/80/1166530980.db2.gz IQWKBCOHNRMTIM-MRVPVSSYSA-N -1 1 305.319 0.223 20 30 DCEDMM C#CCC[C@@H](O)CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588336708 1166532073 /nfs/dbraw/zinc/53/20/73/1166532073.db2.gz DQLDNIVWYXLHHS-SECBINFHSA-N -1 1 321.287 0.649 20 30 DCEDMM C#CCC[C@@H](O)CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588336708 1166532080 /nfs/dbraw/zinc/53/20/80/1166532080.db2.gz DQLDNIVWYXLHHS-SECBINFHSA-N -1 1 321.287 0.649 20 30 DCEDMM C#CC[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C(=O)OC ZINC001588333920 1166532770 /nfs/dbraw/zinc/53/27/70/1166532770.db2.gz IQWKBCOHNRMTIM-QMMMGPOBSA-N -1 1 305.319 0.223 20 30 DCEDMM C#CCN(C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001588349185 1166538765 /nfs/dbraw/zinc/53/87/65/1166538765.db2.gz GWVMNKXIYKYDRJ-UHFFFAOYSA-N -1 1 304.335 0.394 20 30 DCEDMM C#CCNC(=O)[C@H](C)OC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001588353225 1166543431 /nfs/dbraw/zinc/54/34/31/1166543431.db2.gz LCDBHBMZFBOSDY-QMMMGPOBSA-N -1 1 317.280 0.301 20 30 DCEDMM C#CCNC(=O)[C@H](C)OC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001588353225 1166543436 /nfs/dbraw/zinc/54/34/36/1166543436.db2.gz LCDBHBMZFBOSDY-QMMMGPOBSA-N -1 1 317.280 0.301 20 30 DCEDMM C#CCO[C@@H](C)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001588356450 1166546808 /nfs/dbraw/zinc/54/68/08/1166546808.db2.gz XPDQPQAVZPHCSF-JTQLQIEISA-N -1 1 312.333 0.579 20 30 DCEDMM C#CCO[C@@H](C)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001588356450 1166546814 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C=CCCC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001588570988 1166564500 /nfs/dbraw/zinc/56/45/00/1166564500.db2.gz SNRACTSKWKIALG-JTQLQIEISA-N -1 1 316.369 0.564 20 30 DCEDMM C=CCCC(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001588570955 1166565466 /nfs/dbraw/zinc/56/54/66/1166565466.db2.gz FPMDRXUIPCEJMN-JTQLQIEISA-N -1 1 316.369 0.930 20 30 DCEDMM C=CCCC(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001588570955 1166565472 /nfs/dbraw/zinc/56/54/72/1166565472.db2.gz FPMDRXUIPCEJMN-JTQLQIEISA-N -1 1 316.369 0.930 20 30 DCEDMM C=CCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001588572045 1166565594 /nfs/dbraw/zinc/56/55/94/1166565594.db2.gz WWERRXKKVRBNNF-UHFFFAOYSA-N -1 1 314.353 0.272 20 30 DCEDMM C=CCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001588572045 1166565601 /nfs/dbraw/zinc/56/56/01/1166565601.db2.gz WWERRXKKVRBNNF-UHFFFAOYSA-N -1 1 314.353 0.272 20 30 DCEDMM C=CCN(CC(=O)OCC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001588628106 1166571499 /nfs/dbraw/zinc/57/14/99/1166571499.db2.gz 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C#CCCCC(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001588340170 1166536372 /nfs/dbraw/zinc/53/63/72/1166536372.db2.gz HPFBFEZLNQXHCV-UHFFFAOYSA-N -1 1 314.353 0.378 20 30 DCEDMM C=CC[C@H](CO)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001588544404 1166559719 /nfs/dbraw/zinc/55/97/19/1166559719.db2.gz FMVXKWGIHJXBHH-VIFPVBQESA-N -1 1 303.326 0.568 20 30 DCEDMM C=CC[C@H](CO)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001588544404 1166559728 /nfs/dbraw/zinc/55/97/28/1166559728.db2.gz FMVXKWGIHJXBHH-VIFPVBQESA-N -1 1 303.326 0.568 20 30 DCEDMM C=CCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001588566947 1166563078 /nfs/dbraw/zinc/56/30/78/1166563078.db2.gz PBIRFRLXDHBLLU-JTQLQIEISA-N -1 1 314.353 0.636 20 30 DCEDMM C=CCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001588566947 1166563082 /nfs/dbraw/zinc/56/30/82/1166563082.db2.gz PBIRFRLXDHBLLU-JTQLQIEISA-N -1 1 314.353 0.636 20 30 DCEDMM C=CCCC(=O)NCCN(CC)c1ccnc(-c2nn[n-]n2)n1 ZINC001588572697 1166564846 /nfs/dbraw/zinc/56/48/46/1166564846.db2.gz 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1166568548 /nfs/dbraw/zinc/56/85/48/1166568548.db2.gz NDCSMXGOXXLXMA-SECBINFHSA-N -1 1 317.305 0.926 20 30 DCEDMM C=CCN(CC(=O)OCC)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588628035 1166570329 /nfs/dbraw/zinc/57/03/29/1166570329.db2.gz ORRLXDUADCEFOC-UHFFFAOYSA-N -1 1 316.321 0.453 20 30 DCEDMM C=CCN(CC(=O)OCC)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588628035 1166570336 /nfs/dbraw/zinc/57/03/36/1166570336.db2.gz ORRLXDUADCEFOC-UHFFFAOYSA-N -1 1 316.321 0.453 20 30 DCEDMM C[C@@H](C(=O)N(CCC#N)CC1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588943679 1166621254 /nfs/dbraw/zinc/62/12/54/1166621254.db2.gz YTXFPOBSQAKLLQ-VIFPVBQESA-N -1 1 315.341 0.171 20 30 DCEDMM CC(C)(C)C[C@@H](CO)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589118466 1166635135 /nfs/dbraw/zinc/63/51/35/1166635135.db2.gz GOSWTDNPLJHETN-QMMMGPOBSA-N -1 1 302.342 0.737 20 30 DCEDMM CC(C)S(=O)(=O)CCCn1cnc(C#N)c1-c1nn[n-]n1 ZINC001589759437 1166683730 /nfs/dbraw/zinc/68/37/30/1166683730.db2.gz RUZMIPLIPWZMDR-UHFFFAOYSA-N -1 1 309.355 0.148 20 30 DCEDMM 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/nfs/dbraw/zinc/89/55/05/1165895505.db2.gz JQMAKCQGFAPCMH-UHFFFAOYSA-N -1 1 313.252 0.188 20 30 DCEDMM N#Cc1nc(NC[C@@H](CO)c2ccccc2)cnc1-c1nnn[n-]1 ZINC001581880553 1165899341 /nfs/dbraw/zinc/89/93/41/1165899341.db2.gz OHLCONXJPNJRSF-NSHDSACASA-N -1 1 322.332 0.716 20 30 DCEDMM N#Cc1nc(NC[C@@H](CO)c2ccccc2)cnc1-c1nn[n-]n1 ZINC001581880553 1165899349 /nfs/dbraw/zinc/89/93/49/1165899349.db2.gz OHLCONXJPNJRSF-NSHDSACASA-N -1 1 322.332 0.716 20 30 DCEDMM N#Cc1ncc(N[C@H](CCO)C2CCCC2)nc1-c1nn[n-]n1 ZINC001581882853 1165902129 /nfs/dbraw/zinc/90/21/29/1165902129.db2.gz JRHWKBHHGJKNHJ-SNVBAGLBSA-N -1 1 314.353 0.881 20 30 DCEDMM N#Cc1ncc(N2CC(O)(c3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001581881793 1165902415 /nfs/dbraw/zinc/90/24/15/1165902415.db2.gz ADNLMNPKMSSIRF-UHFFFAOYSA-N -1 1 320.316 0.236 20 30 DCEDMM N#Cc1nc(NCc2cccc(C(N)=O)c2)cnc1-c1nnn[n-]1 ZINC001581881239 1165902498 /nfs/dbraw/zinc/90/24/98/1165902498.db2.gz QXWAGUKHDSTTQE-UHFFFAOYSA-N -1 1 321.304 0.239 20 30 DCEDMM N#Cc1nc(NCc2cccc(C(N)=O)c2)cnc1-c1nn[n-]n1 ZINC001581881239 1165902504 /nfs/dbraw/zinc/90/25/04/1165902504.db2.gz QXWAGUKHDSTTQE-UHFFFAOYSA-N -1 1 321.304 0.239 20 30 DCEDMM N#Cc1ncc(Nc2ccc(CC(N)=O)cc2)nc1-c1nn[n-]n1 ZINC001581884961 1165904764 /nfs/dbraw/zinc/90/47/64/1165904764.db2.gz IJFRLOBDMHJIOB-UHFFFAOYSA-N -1 1 321.304 0.300 20 30 DCEDMM C#C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588326522 1166522730 /nfs/dbraw/zinc/52/27/30/1166522730.db2.gz ODRHWOFTKPKYQA-SSDOTTSWSA-N -1 1 322.306 0.075 20 30 DCEDMM C#C[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(C)C ZINC001588330020 1166526145 /nfs/dbraw/zinc/52/61/45/1166526145.db2.gz SQZXQAFMYWLPPW-SNVBAGLBSA-N -1 1 300.322 0.663 20 30 DCEDMM C#CCCCCC(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001588342237 1166535080 /nfs/dbraw/zinc/53/50/80/1166535080.db2.gz IGFPJDLLGCAHIY-UHFFFAOYSA-N -1 1 314.353 0.378 20 30 DCEDMM C#CCCCCC(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001588342237 1166535089 /nfs/dbraw/zinc/53/50/89/1166535089.db2.gz IGFPJDLLGCAHIY-UHFFFAOYSA-N -1 1 314.353 0.378 20 30 DCEDMM C#CCN1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1 ZINC001588353464 1166544438 /nfs/dbraw/zinc/54/44/38/1166544438.db2.gz TUIVXVMAPUMPSX-UHFFFAOYSA-N -1 1 319.350 0.592 20 30 DCEDMM C#CCN1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1 ZINC001588353464 1166544443 /nfs/dbraw/zinc/54/44/43/1166544443.db2.gz TUIVXVMAPUMPSX-UHFFFAOYSA-N -1 1 319.350 0.592 20 30 DCEDMM C#CCOCCC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001588359605 1166545874 /nfs/dbraw/zinc/54/58/74/1166545874.db2.gz SXSSDYYGOIJZGF-UHFFFAOYSA-N -1 1 312.333 0.581 20 30 DCEDMM C#CCOCCC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001588359605 1166545882 /nfs/dbraw/zinc/54/58/82/1166545882.db2.gz SXSSDYYGOIJZGF-UHFFFAOYSA-N -1 1 312.333 0.581 20 30 DCEDMM C=CCCCS(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001588603427 1166569510 /nfs/dbraw/zinc/56/95/10/1166569510.db2.gz NODNTQDWXDRFAE-UHFFFAOYSA-N -1 1 308.367 0.647 20 30 DCEDMM C=CCCCS(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001588603427 1166569513 /nfs/dbraw/zinc/56/95/13/1166569513.db2.gz NODNTQDWXDRFAE-UHFFFAOYSA-N -1 1 308.367 0.647 20 30 DCEDMM CC(=O)CC(C)(C)CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001588786950 1166590609 /nfs/dbraw/zinc/59/06/09/1166590609.db2.gz RFUBCCNYPWHXNX-UHFFFAOYSA-N -1 1 316.325 0.795 20 30 DCEDMM CC(C)C#CC(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001589379805 1166655331 /nfs/dbraw/zinc/65/53/31/1166655331.db2.gz BHLFXSBFUVQIKX-UHFFFAOYSA-N -1 1 314.353 0.186 20 30 DCEDMM CC(C)C#CC(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001589379805 1166655333 /nfs/dbraw/zinc/65/53/33/1166655333.db2.gz BHLFXSBFUVQIKX-UHFFFAOYSA-N -1 1 314.353 0.186 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)CN2C(=O)CCC2=O)o1 ZINC001589848531 1166701191 /nfs/dbraw/zinc/70/11/91/1166701191.db2.gz GVOSZQKCEPSUKI-UHFFFAOYSA-N -1 1 318.297 0.100 20 30 DCEDMM CC1(C)C[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C(=O)O1 ZINC001590083205 1166769236 /nfs/dbraw/zinc/76/92/36/1166769236.db2.gz BHRDTMLQGKNPNR-LURJTMIESA-N -1 1 300.282 0.034 20 30 DCEDMM CC1(C)CC[C@@H](Cn2c(N)nc(-c3nn[n-]n3)c2C#N)OC1 ZINC001590090472 1166771065 /nfs/dbraw/zinc/77/10/65/1166771065.db2.gz JNLYBAZFYFOFEX-QMMMGPOBSA-N -1 1 302.342 0.722 20 30 DCEDMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@H](C)S1 ZINC001590315723 1166858991 /nfs/dbraw/zinc/85/89/91/1166858991.db2.gz IERQUUOWAYYSKI-OCAPTIKFSA-N -1 1 302.367 0.859 20 30 DCEDMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@H](C)S1 ZINC001590315723 1166858992 /nfs/dbraw/zinc/85/89/92/1166858992.db2.gz IERQUUOWAYYSKI-OCAPTIKFSA-N -1 1 302.367 0.859 20 30 DCEDMM CC[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)C(OC)OC ZINC001590472254 1166917820 /nfs/dbraw/zinc/91/78/20/1166917820.db2.gz COBSATVVNKXGMJ-ZETCQYMHSA-N -1 1 304.314 0.338 20 30 DCEDMM CC[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)C(OC)OC ZINC001590472254 1166917826 /nfs/dbraw/zinc/91/78/26/1166917826.db2.gz COBSATVVNKXGMJ-ZETCQYMHSA-N -1 1 304.314 0.338 20 30 DCEDMM CCN(C[C@H]1CCCO1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590691076 1166975189 /nfs/dbraw/zinc/97/51/89/1166975189.db2.gz GGUMDPCGZNCWJC-SECBINFHSA-N -1 1 300.326 0.534 20 30 DCEDMM CCN(CCC#N)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590691936 1166976122 /nfs/dbraw/zinc/97/61/22/1166976122.db2.gz RLJQRGNMENUXDE-UHFFFAOYSA-N -1 1 312.380 0.852 20 30 DCEDMM CCOC(=O)[C@H](C)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590750452 1167002359 /nfs/dbraw/zinc/00/23/59/1167002359.db2.gz KLSIIQWOKMDERT-SSDOTTSWSA-N -1 1 302.298 0.139 20 30 DCEDMM CN(Cc1ccccc1O)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001591147182 1167117165 /nfs/dbraw/zinc/11/71/65/1167117165.db2.gz AMOQUWMMPVKFJE-UHFFFAOYSA-N -1 1 308.305 0.870 20 30 DCEDMM COC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001591393541 1167261072 /nfs/dbraw/zinc/26/10/72/1167261072.db2.gz ZDOUYXWIZBIJDW-SECBINFHSA-N -1 1 300.326 0.534 20 30 DCEDMM COC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001591393541 1167261080 /nfs/dbraw/zinc/26/10/80/1167261080.db2.gz ZDOUYXWIZBIJDW-SECBINFHSA-N -1 1 300.326 0.534 20 30 DCEDMM COCCCN(CCOC)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001591414383 1167270970 /nfs/dbraw/zinc/27/09/70/1167270970.db2.gz NYGVKYFBLAKPMR-UHFFFAOYSA-N -1 1 318.341 0.018 20 30 DCEDMM COCc1ccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC001591455967 1167294071 /nfs/dbraw/zinc/29/40/71/1167294071.db2.gz BTMDPZAGNCFACE-UHFFFAOYSA-N -1 1 324.304 0.860 20 30 DCEDMM COc1cc(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)ccc1C ZINC001591539960 1167326861 /nfs/dbraw/zinc/32/68/61/1167326861.db2.gz JOEZFLDAWVCMSZ-UHFFFAOYSA-N -1 1 310.321 0.882 20 30 DCEDMM COc1ncc(NC(=O)N(C)CCC#N)cc1-c1nn[n-]n1 ZINC001591664163 1167344282 /nfs/dbraw/zinc/34/42/82/1167344282.db2.gz CMXXMDVEHYRNBF-UHFFFAOYSA-N -1 1 302.298 0.648 20 30 DCEDMM Cc1cc(C)n(CCCNc2cnc(-c3nnn[n-]3)c(C#N)n2)n1 ZINC001591956015 1167426071 /nfs/dbraw/zinc/42/60/71/1167426071.db2.gz UEYAJOYYHMTXNU-UHFFFAOYSA-N -1 1 324.352 0.844 20 30 DCEDMM Cc1cc(C)n(CCCNc2cnc(-c3nn[n-]n3)c(C#N)n2)n1 ZINC001591956015 1167426076 /nfs/dbraw/zinc/42/60/76/1167426076.db2.gz UEYAJOYYHMTXNU-UHFFFAOYSA-N -1 1 324.352 0.844 20 30 DCEDMM Cc1ccn(CN2CCC(CC#N)CC2)c(=O)c1-c1nn[n-]n1 ZINC001592266353 1167480409 /nfs/dbraw/zinc/48/04/09/1167480409.db2.gz AHKRXWOECQBIDV-UHFFFAOYSA-N -1 1 313.365 0.920 20 30 DCEDMM N#C[C@@H]1CSCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592671223 1167593657 /nfs/dbraw/zinc/59/36/57/1167593657.db2.gz AWFASBVHWDCLCC-MRVPVSSYSA-N -1 1 301.335 0.343 20 30 DCEDMM N#C[C@@H]1CSCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592671223 1167593663 /nfs/dbraw/zinc/59/36/63/1167593663.db2.gz AWFASBVHWDCLCC-MRVPVSSYSA-N -1 1 301.335 0.343 20 30 DCEDMM N#CC1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001592672039 1167593674 /nfs/dbraw/zinc/59/36/74/1167593674.db2.gz VROJRMZIUFUDPK-UHFFFAOYSA-N -1 1 308.298 0.150 20 30 DCEDMM N#CC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001592673446 1167596434 /nfs/dbraw/zinc/59/64/34/1167596434.db2.gz FJHQJWANHGODKD-SECBINFHSA-N -1 1 322.350 0.774 20 30 DCEDMM N#CC[C@]1(O)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001592674087 1167596975 /nfs/dbraw/zinc/59/69/75/1167596975.db2.gz ZWYRPZAIQRVSDQ-LBPRGKRZSA-N -1 1 305.729 0.770 20 30 DCEDMM N#CC[C@]1(O)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001592674087 1167596977 /nfs/dbraw/zinc/59/69/77/1167596977.db2.gz ZWYRPZAIQRVSDQ-LBPRGKRZSA-N -1 1 305.729 0.770 20 30 DCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001592682065 1167600730 /nfs/dbraw/zinc/60/07/30/1167600730.db2.gz OHFBLUNBNUVTKQ-WEDXCCLWSA-N -1 1 300.326 0.475 20 30 DCEDMM N#Cc1cc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)ccn1 ZINC001592688210 1167602486 /nfs/dbraw/zinc/60/24/86/1167602486.db2.gz IEOUFOGBNHSTOE-UHFFFAOYSA-N -1 1 304.277 0.407 20 30 DCEDMM N#Cc1ncn(Cc2ccc(C#N)cc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001592693484 1167602660 /nfs/dbraw/zinc/60/26/60/1167602660.db2.gz GMCASOJGEKOPBR-UHFFFAOYSA-N -1 1 321.260 0.763 20 30 DCEDMM N#Cc1ncc(N2CCc3ncsc3C2)nc1-c1nn[n-]n1 ZINC001592708305 1167606990 /nfs/dbraw/zinc/60/69/90/1167606990.db2.gz HZZCQRZDNPIFKE-UHFFFAOYSA-N -1 1 311.334 0.548 20 30 DCEDMM N#Cc1ncc(N2CCC[C@H]2[C@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592708453 1167607641 /nfs/dbraw/zinc/60/76/41/1167607641.db2.gz RPTLNNXDXCAERM-WDEREUQCSA-N -1 1 312.337 0.676 20 30 DCEDMM N#Cc1ncn(CC(=O)OCC(F)(F)F)c1-c1nn[n-]n1 ZINC001592709370 1167609504 /nfs/dbraw/zinc/60/95/04/1167609504.db2.gz CTWQVYLGMIDFQH-UHFFFAOYSA-N -1 1 301.188 0.040 20 30 DCEDMM N#Cc1ncc(NCCOC2CCCC2)nc1-c1nn[n-]n1 ZINC001592710384 1167609574 /nfs/dbraw/zinc/60/95/74/1167609574.db2.gz NKGAQGVTPKVXID-UHFFFAOYSA-N -1 1 300.326 0.899 20 30 DCEDMM N#Cc1ncc(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)nc1-c1nn[n-]n1 ZINC001592710659 1167610485 /nfs/dbraw/zinc/61/04/85/1167610485.db2.gz SSNSJOXARHDNTP-QXEWZRGKSA-N -1 1 312.337 0.898 20 30 DCEDMM C#CC1(O)CCN(Cc2c(C)nn(CCC(=O)[O-])c2C)CC1 ZINC001602677464 1169157098 /nfs/dbraw/zinc/15/70/98/1169157098.db2.gz YQKDFIVFKJBAQB-UHFFFAOYSA-N -1 1 305.378 0.935 20 30 DCEDMM C#C[C@@H](C)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001602690256 1169159744 /nfs/dbraw/zinc/15/97/44/1169159744.db2.gz SSFLMZUSSBJPBL-MRVPVSSYSA-N -1 1 309.326 0.648 20 30 DCEDMM C#C[C@@H](C)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001602690256 1169159747 /nfs/dbraw/zinc/15/97/47/1169159747.db2.gz SSFLMZUSSBJPBL-MRVPVSSYSA-N -1 1 309.326 0.648 20 30 DCEDMM C#CC[C@H](COC)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001602697925 1169164737 /nfs/dbraw/zinc/16/47/37/1169164737.db2.gz VQXVJXGPIHKUOZ-SNVBAGLBSA-N -1 1 301.310 0.422 20 30 DCEDMM C#CC[C@H](COC)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001602697925 1169164740 /nfs/dbraw/zinc/16/47/40/1169164740.db2.gz VQXVJXGPIHKUOZ-SNVBAGLBSA-N -1 1 301.310 0.422 20 30 DCEDMM C#CCO[C@@H](C)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001602728460 1169175077 /nfs/dbraw/zinc/17/50/77/1169175077.db2.gz ZFKLMHLHQMVSFV-YFKPBYRVSA-N -1 1 312.742 0.953 20 30 DCEDMM C=CCCC(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001602826565 1169189829 /nfs/dbraw/zinc/18/98/29/1169189829.db2.gz ITPISXWYWITHSR-JTQLQIEISA-N -1 1 316.369 0.930 20 30 DCEDMM C=CCCC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001602826565 1169189832 /nfs/dbraw/zinc/18/98/32/1169189832.db2.gz ITPISXWYWITHSR-JTQLQIEISA-N -1 1 316.369 0.930 20 30 DCEDMM C=CCN(CCOC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001602851991 1169192153 /nfs/dbraw/zinc/19/21/53/1169192153.db2.gz FXLHNXSUKKECPV-UHFFFAOYSA-N -1 1 306.330 0.267 20 30 DCEDMM C=CCN(CCOC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001602851991 1169192157 /nfs/dbraw/zinc/19/21/57/1169192157.db2.gz FXLHNXSUKKECPV-UHFFFAOYSA-N -1 1 306.330 0.267 20 30 DCEDMM C=CCCS(=O)(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001602846418 1169192910 /nfs/dbraw/zinc/19/29/10/1169192910.db2.gz MLKUIJJRFRPPEP-UHFFFAOYSA-N -1 1 300.369 0.319 20 30 DCEDMM C=CCCS(=O)(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001602846418 1169192911 /nfs/dbraw/zinc/19/29/11/1169192911.db2.gz MLKUIJJRFRPPEP-UHFFFAOYSA-N -1 1 300.369 0.319 20 30 DCEDMM C=CCOCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001602871846 1169196784 /nfs/dbraw/zinc/19/67/84/1169196784.db2.gz YZUGNJNMQDOYBJ-UHFFFAOYSA-N -1 1 315.380 0.409 20 30 DCEDMM C=CCOCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001602871846 1169196788 /nfs/dbraw/zinc/19/67/88/1169196788.db2.gz YZUGNJNMQDOYBJ-UHFFFAOYSA-N -1 1 315.380 0.409 20 30 DCEDMM C[C@H](C#N)CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001602983656 1169223062 /nfs/dbraw/zinc/22/30/62/1169223062.db2.gz LOUMHPXRENTGCT-SNVBAGLBSA-N -1 1 311.349 0.955 20 30 DCEDMM C[C@H](C#N)CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001602983656 1169223068 /nfs/dbraw/zinc/22/30/68/1169223068.db2.gz LOUMHPXRENTGCT-SNVBAGLBSA-N -1 1 311.349 0.955 20 30 DCEDMM CC(C)c1nnc(Cn2cnc(-c3nn[n-]n3)c2C#N)s1 ZINC001603418759 1169306796 /nfs/dbraw/zinc/30/67/96/1169306796.db2.gz QCGIBYPHZSKIEA-UHFFFAOYSA-N -1 1 301.339 0.958 20 30 DCEDMM CO[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C12CCC2 ZINC001605024055 1169785258 /nfs/dbraw/zinc/78/52/58/1169785258.db2.gz JCRAVRKCUNUTCK-NXEZZACHSA-N -1 1 312.337 0.898 20 30 DCEDMM CO[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C12CCC2 ZINC001605024055 1169785260 /nfs/dbraw/zinc/78/52/60/1169785260.db2.gz JCRAVRKCUNUTCK-NXEZZACHSA-N -1 1 312.337 0.898 20 30 DCEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)C(=O)OC(C)(C)C ZINC001605441832 1169921562 /nfs/dbraw/zinc/92/15/62/1169921562.db2.gz JVJUTNQSEKALMJ-ZETCQYMHSA-N -1 1 316.325 0.670 20 30 DCEDMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@](C)(C#N)C1 ZINC001605506618 1169941246 /nfs/dbraw/zinc/94/12/46/1169941246.db2.gz HXVXHTYGXZDELI-CQSZACIVSA-N -1 1 313.321 0.652 20 30 DCEDMM Cc1cccc2nc(Cn3c(N)nc(-c4nn[n-]n4)c3C#N)cn21 ZINC001605930307 1170029264 /nfs/dbraw/zinc/02/92/64/1170029264.db2.gz XZCXCFAGASARFK-UHFFFAOYSA-N -1 1 320.320 0.522 20 30 DCEDMM Cn1c(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)nc2ccccc21 ZINC001606217195 1170118966 /nfs/dbraw/zinc/11/89/66/1170118966.db2.gz BTACQWHGCPRBHL-UHFFFAOYSA-N -1 1 320.320 0.452 20 30 DCEDMM N#CC1(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)CCC1 ZINC001606344126 1170163643 /nfs/dbraw/zinc/16/36/43/1170163643.db2.gz YDGPUIOXADQOGD-UHFFFAOYSA-N -1 1 318.366 0.816 20 30 DCEDMM N#CC1(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)CCC1 ZINC001606344126 1170163646 /nfs/dbraw/zinc/16/36/46/1170163646.db2.gz YDGPUIOXADQOGD-UHFFFAOYSA-N -1 1 318.366 0.816 20 30 DCEDMM N#C[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001606345973 1170165296 /nfs/dbraw/zinc/16/52/96/1170165296.db2.gz UCLAQAKJTVDIJZ-QMMMGPOBSA-N -1 1 300.282 0.910 20 30 DCEDMM N#C[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001606345973 1170165299 /nfs/dbraw/zinc/16/52/99/1170165299.db2.gz UCLAQAKJTVDIJZ-QMMMGPOBSA-N -1 1 300.282 0.910 20 30 DCEDMM N#Cc1ccc(Cn2cncc(-c3nn[n-]n3)c2=O)c([N+](=O)[O-])c1 ZINC001606368911 1170171509 /nfs/dbraw/zinc/17/15/09/1170171509.db2.gz LCJFAAUTWJWCLD-UHFFFAOYSA-N -1 1 324.260 0.252 20 30 DCEDMM N#Cc1nc(N2CCC[C@@H](n3ccnc3)C2)cnc1-c1nnn[n-]1 ZINC001606389312 1170179323 /nfs/dbraw/zinc/17/93/23/1170179323.db2.gz KKJMKRGKDHYDPN-SNVBAGLBSA-N -1 1 322.336 0.566 20 30 DCEDMM N#Cc1nc(N2CCC[C@@H](n3ccnc3)C2)cnc1-c1nn[n-]n1 ZINC001606389312 1170179324 /nfs/dbraw/zinc/17/93/24/1170179324.db2.gz KKJMKRGKDHYDPN-SNVBAGLBSA-N -1 1 322.336 0.566 20 30 DCEDMM N#Cc1nc(N2CC[C@@H](c3ccccn3)C2)cnc1-c1nnn[n-]1 ZINC001606388938 1170179972 /nfs/dbraw/zinc/17/99/72/1170179972.db2.gz GBTHEJXTZFNTPD-SNVBAGLBSA-N -1 1 319.332 0.917 20 30 DCEDMM N#Cc1nc(N2CC[C@@H](c3ccccn3)C2)cnc1-c1nn[n-]n1 ZINC001606388938 1170179975 /nfs/dbraw/zinc/17/99/75/1170179975.db2.gz GBTHEJXTZFNTPD-SNVBAGLBSA-N -1 1 319.332 0.917 20 30 DCEDMM N#Cc1ncc(N2CC[C@H]2[C@@H]2CCCOC2)nc1-c1nn[n-]n1 ZINC001606396922 1170183585 /nfs/dbraw/zinc/18/35/85/1170183585.db2.gz BRZWDNMQANWQFL-KOLCDFICSA-N -1 1 312.337 0.534 20 30 DCEDMM N#Cc1ncc(N2CC[C@H](c3ccncc3)C2)nc1-c1nn[n-]n1 ZINC001606397469 1170183853 /nfs/dbraw/zinc/18/38/53/1170183853.db2.gz QJHSMEIDSGRRFH-NSHDSACASA-N -1 1 319.332 0.917 20 30 DCEDMM C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001607419924 1170448379 /nfs/dbraw/zinc/44/83/79/1170448379.db2.gz SDUKKSROQJKUDK-VIFPVBQESA-N -1 1 311.363 0.485 20 30 DCEDMM C#CCN(CC1CC1)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001609021005 1170785914 /nfs/dbraw/zinc/78/59/14/1170785914.db2.gz XQOPUCHZYZTGMZ-UHFFFAOYSA-N -1 1 318.362 0.296 20 30 DCEDMM C#CCn1ccc(CN(CC)c2cncc(-c3nnn[n-]3)n2)n1 ZINC001609021970 1170786659 /nfs/dbraw/zinc/78/66/59/1170786659.db2.gz OOOZUUCMQHTQEU-UHFFFAOYSA-N -1 1 309.337 0.513 20 30 DCEDMM C#CCn1ccc(CN(CC)c2cncc(-c3nn[n-]n3)n2)n1 ZINC001609021970 1170786660 /nfs/dbraw/zinc/78/66/60/1170786660.db2.gz OOOZUUCMQHTQEU-UHFFFAOYSA-N -1 1 309.337 0.513 20 30 DCEDMM C[C@H](C(=O)N(C)c1ccc(C#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001609067656 1170796958 /nfs/dbraw/zinc/79/69/58/1170796958.db2.gz BGNREOYSDIQHCK-SECBINFHSA-N -1 1 323.320 0.554 20 30 DCEDMM C[C@@H](C(=O)N(C)c1ccc(C#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001609067657 1170797649 /nfs/dbraw/zinc/79/76/49/1170797649.db2.gz BGNREOYSDIQHCK-VIFPVBQESA-N -1 1 323.320 0.554 20 30 DCEDMM C=C[C@H]([NH2+]Cc1c(F)cccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC001609272795 1170905170 /nfs/dbraw/zinc/90/51/70/1170905170.db2.gz ZYNLWQDJXZUFAK-JTQLQIEISA-N -1 1 302.327 0.926 20 30 DCEDMM C=C[C@H](NCc1c(F)cccc1NS(C)(=O)=O)C(=O)[O-] ZINC001609272795 1170905175 /nfs/dbraw/zinc/90/51/75/1170905175.db2.gz ZYNLWQDJXZUFAK-JTQLQIEISA-N -1 1 302.327 0.926 20 30 DCEDMM CN(Cc1cccc(C#N)c1)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609280247 1170908585 /nfs/dbraw/zinc/90/85/85/1170908585.db2.gz KWIUHKWRRHZYMX-UHFFFAOYSA-N -1 1 321.344 0.990 20 30 DCEDMM C[C@H]1CN(CCO)CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001609875247 1171111381 /nfs/dbraw/zinc/11/13/81/1171111381.db2.gz UJUNNINTUQQEKU-LBPRGKRZSA-N -1 1 303.362 0.755 20 30 DCEDMM C=CCOCCCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001636994312 1171754430 /nfs/dbraw/zinc/75/44/30/1171754430.db2.gz WUGFFJCFGKQCRJ-UHFFFAOYSA-N -1 1 322.365 0.647 20 30 DCEDMM C=CC[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C(=O)OCC ZINC001638325961 1171795432 /nfs/dbraw/zinc/79/54/32/1171795432.db2.gz GTDQQDHAHDDMQE-ZETCQYMHSA-N -1 1 311.294 0.134 20 30 DCEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@H](C)C#N ZINC001647085764 1172664916 /nfs/dbraw/zinc/66/49/16/1172664916.db2.gz TTWLKZLJIBBKTK-SNVBAGLBSA-N -1 1 311.345 0.959 20 30 DCEDMM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC001665174240 1174488679 /nfs/dbraw/zinc/48/86/79/1174488679.db2.gz AEQCRDLXYIVPOI-VIFPVBQESA-N -1 1 303.336 0.672 20 30 DCEDMM C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(C(=O)OC)n[n-]1 ZINC001669322252 1174920306 /nfs/dbraw/zinc/92/03/06/1174920306.db2.gz FCLOUBHBEFXBHW-SCZZXKLOSA-N -1 1 315.351 0.208 20 30 DCEDMM C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(C(=O)OC)[n-]n1 ZINC001669322252 1174920308 /nfs/dbraw/zinc/92/03/08/1174920308.db2.gz FCLOUBHBEFXBHW-SCZZXKLOSA-N -1 1 315.351 0.208 20 30 DCEDMM C#Cc1cccc(CNC(=O)Nc2nn[nH]c2C(=O)NC2CC2)c1 ZINC001681141017 1175876532 /nfs/dbraw/zinc/87/65/32/1175876532.db2.gz DRLASQMEIQKAMC-UHFFFAOYSA-N -1 1 324.344 1.000 20 30 DCEDMM C=CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001701184909 1178949221 /nfs/dbraw/zinc/94/92/21/1178949221.db2.gz ZYFNYNQCHMRWQV-RYUDHWBXSA-N -1 1 321.377 0.955 20 30 DCEDMM C=CCC(C)(C)C(=O)NC[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001716663746 1182486545 /nfs/dbraw/zinc/48/65/45/1182486545.db2.gz CWSLWSUMBLLSAR-NSHDSACASA-N -1 1 307.398 0.401 20 30 DCEDMM C=CCCCC(=O)N1CCC[C@@H]1CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001717370618 1182805463 /nfs/dbraw/zinc/80/54/63/1182805463.db2.gz IZNURCIIEYGKHP-CYBMUJFWSA-N -1 1 321.425 0.888 20 30 DCEDMM C=CC(C)(C)CC(=O)N(C)C[C@H](O)CNCc1n[nH]c(=O)[n-]1 ZINC001725694647 1184947536 /nfs/dbraw/zinc/94/75/36/1184947536.db2.gz YKKWLUBERLBPBU-SNVBAGLBSA-N -1 1 311.386 0.022 20 30 DCEDMM C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001734754756 1186736939 /nfs/dbraw/zinc/73/69/39/1186736939.db2.gz CKVDUIQFWQJVJB-MEDUHNTESA-N -1 1 321.377 0.691 20 30 DCEDMM C[C@@H](C#N)C(=O)N[C@@H](C)CCCNC(=O)c1ncccc1[O-] ZINC001756340860 1189334654 /nfs/dbraw/zinc/33/46/54/1189334654.db2.gz BPPXCUZVVDXASP-QWRGUYRKSA-N -1 1 304.350 0.962 20 30 DCEDMM C#CCN1CC[C@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@H]1CC ZINC001087753043 749039111 /nfs/dbraw/zinc/03/91/11/749039111.db2.gz PQWUARAZMVXVAU-QWHCGFSZSA-N -1 1 313.361 0.239 20 30 DCEDMM C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001089139571 750817150 /nfs/dbraw/zinc/81/71/50/750817150.db2.gz FQDUTNRYPKPCOI-NEPJUHHUSA-N -1 1 320.397 0.081 20 30 DCEDMM C#CCCN1CCO[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001107890588 752487632 /nfs/dbraw/zinc/48/76/32/752487632.db2.gz QIPQJSUUPOMHMM-INIZCTEOSA-N -1 1 303.362 0.631 20 30 DCEDMM C=CC(C)(C)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001084578135 757916672 /nfs/dbraw/zinc/91/66/72/757916672.db2.gz LQNVZFJZCOGUGQ-VXGBXAGGSA-N -1 1 319.409 0.353 20 30 DCEDMM CC(C[C@H]1CCC(=O)N1)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC001117683915 766126096 /nfs/dbraw/zinc/12/60/96/766126096.db2.gz LZMBDKSTSZIATJ-MRVPVSSYSA-N -1 1 303.326 0.525 20 30 DCEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001121626410 767608669 /nfs/dbraw/zinc/60/86/69/767608669.db2.gz PRAWISOACBWEAA-AWEZNQCLSA-N -1 1 316.369 0.185 20 30 DCEDMM 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C=C(C)CO[N-]C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001335356235 952524799 /nfs/dbraw/zinc/52/47/99/952524799.db2.gz LGKIHKDMWGCGIS-UHFFFAOYSA-N -1 1 300.355 0.982 20 30 DCEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N(CC)[C@H]1CCCOC1 ZINC001338801013 953052426 /nfs/dbraw/zinc/05/24/26/953052426.db2.gz CFGYTAVAYXGNEH-NSHDSACASA-N -1 1 318.385 0.573 20 30 DCEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N(CC)[C@H]1CCCOC1 ZINC001338801013 953052428 /nfs/dbraw/zinc/05/24/28/953052428.db2.gz CFGYTAVAYXGNEH-NSHDSACASA-N -1 1 318.385 0.573 20 30 DCEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1C[C@@H]2COC[C@@]2(C)C1 ZINC001338931598 953063068 /nfs/dbraw/zinc/06/30/68/953063068.db2.gz SADQODOJSOEESX-QMTHXVAHSA-N -1 1 316.369 0.041 20 30 DCEDMM C=CCn1c(Cc2nnn[n-]2)nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC001338931599 953063037 /nfs/dbraw/zinc/06/30/37/953063037.db2.gz SADQODOJSOEESX-YGRLFVJLSA-N -1 1 316.369 0.041 20 30 DCEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC001338931599 953063041 /nfs/dbraw/zinc/06/30/41/953063041.db2.gz 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C=CCn1c(Cc2nnn[n-]2)nnc1N1CCOC2(CCC2)C1 ZINC001351668207 955373420 /nfs/dbraw/zinc/37/34/20/955373420.db2.gz DHJIBRAKUUWNQZ-UHFFFAOYSA-N -1 1 316.369 0.327 20 30 DCEDMM C=CCn1c(Cc2nn[n-]n2)nnc1N1CCOC2(CCC2)C1 ZINC001351668207 955373437 /nfs/dbraw/zinc/37/34/37/955373437.db2.gz DHJIBRAKUUWNQZ-UHFFFAOYSA-N -1 1 316.369 0.327 20 30 DCEDMM COC(=O)c1ccccc1NN=C(C)c1cn(CC(=O)[O-])nn1 ZINC001593888888 955769707 /nfs/dbraw/zinc/76/97/07/955769707.db2.gz VJFZRXJYPLSENU-UHFFFAOYSA-N -1 1 317.305 0.985 20 30 DCEDMM C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001589187319 956565976 /nfs/dbraw/zinc/56/59/76/956565976.db2.gz QJAJSSTZASVJEE-CQSZACIVSA-N -1 1 301.306 0.746 20 30 DCEDMM C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CNC(=O)c1ncccc1[O-] ZINC001357416643 957279888 /nfs/dbraw/zinc/27/98/88/957279888.db2.gz SYEAAPYXQSFQBS-NWDGAFQWSA-N -1 1 321.377 0.596 20 30 DCEDMM C=C[C@@](C)(O)CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001295023023 957624817 /nfs/dbraw/zinc/62/48/17/957624817.db2.gz 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N#C[C@@]1(c2ccccn2)CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC001363152130 960492659 /nfs/dbraw/zinc/49/26/59/960492659.db2.gz YSORBUWYWBIGOC-HNNXBMFYSA-N -1 1 311.349 0.611 20 30 DCEDMM N#C[C@]1(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)CCCOC1 ZINC001363429366 961131605 /nfs/dbraw/zinc/13/16/05/961131605.db2.gz CTOIVGRHASOHQA-SMDDNHRTSA-N -1 1 304.354 0.301 20 30 DCEDMM C=CCOC[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)[O-] ZINC001333333416 961683352 /nfs/dbraw/zinc/68/33/52/961683352.db2.gz DTFPDRVHXPRKNW-QWRGUYRKSA-N -1 1 302.396 0.196 20 30 DCEDMM C=CCOC[C@H](NC(=O)CN(C)[C@H]1CCSC1)C(=O)[O-] ZINC001333333416 961683362 /nfs/dbraw/zinc/68/33/62/961683362.db2.gz DTFPDRVHXPRKNW-QWRGUYRKSA-N -1 1 302.396 0.196 20 30 DCEDMM CSCc1n[nH]c(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)n1 ZINC001364121373 962508643 /nfs/dbraw/zinc/50/86/43/962508643.db2.gz YEEJJMLAVSQVPJ-UHFFFAOYSA-N -1 1 318.362 0.878 20 30 DCEDMM CSCc1nnc(CNC(=O)c2[n-]c(=O)c(C#N)cc2C)[nH]1 ZINC001364121373 962508653 /nfs/dbraw/zinc/50/86/53/962508653.db2.gz YEEJJMLAVSQVPJ-UHFFFAOYSA-N -1 1 318.362 0.878 20 30 DCEDMM C=C(Br)CN[C@H]1CN(C(=O)CNC(=O)[O-])C[C@@H]1C ZINC001573322022 962764527 /nfs/dbraw/zinc/76/45/27/962764527.db2.gz TYBDKNWMHVHEKK-CBAPKCEASA-N -1 1 320.187 0.599 20 30 DCEDMM C[C@@H]1CCC[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@@H]1C(=O)[O-] ZINC001603415108 973105921 /nfs/dbraw/zinc/10/59/21/973105921.db2.gz WTMWAUHKUIFQMS-RNCFNFMXSA-N -1 1 315.333 0.992 20 30 DCEDMM C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@@H]1C(=O)[O-] ZINC001603415108 973105925 /nfs/dbraw/zinc/10/59/25/973105925.db2.gz WTMWAUHKUIFQMS-RNCFNFMXSA-N -1 1 315.333 0.992 20 30 DCEDMM C=CCCO[C@H](C)C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001528059665 1014190071 /nfs/dbraw/zinc/19/00/71/1014190071.db2.gz HFQXWFFDSUCCOF-GFCCVEGCSA-N -1 1 321.377 0.957 20 30 DCEDMM N#C[C@@H](CO)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001449516117 1014523892 /nfs/dbraw/zinc/52/38/92/1014523892.db2.gz BKQWGBKXCWVPSM-JTQLQIEISA-N -1 1 307.260 0.495 20 30 DCEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N(C)CC1=CCCOC1 ZINC001523797171 1014766273 /nfs/dbraw/zinc/76/62/73/1014766273.db2.gz SVURRQIKYMFNAJ-UHFFFAOYSA-N -1 1 316.369 0.817 20 30 DCEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N(C)CC1=CCCOC1 ZINC001523797171 1014766284 /nfs/dbraw/zinc/76/62/84/1014766284.db2.gz SVURRQIKYMFNAJ-UHFFFAOYSA-N -1 1 316.369 0.817 20 30 DCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC[N@H+]1CCC(=O)[O-] ZINC001594492518 985603109 /nfs/dbraw/zinc/60/31/09/985603109.db2.gz CCKCSOLMQFTHOF-NSHDSACASA-N -1 1 317.345 0.885 20 30 DCEDMM C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001419752876 1001279447 /nfs/dbraw/zinc/27/94/47/1001279447.db2.gz XGHQHPMASQTFRW-SNVBAGLBSA-N -1 1 323.784 0.825 20 30 DCEDMM N#Cc1ccc([C@H]2CN(C(=O)CCc3nn[n-]n3)CCO2)cc1 ZINC001420293615 1002177873 /nfs/dbraw/zinc/17/78/73/1002177873.db2.gz ZVCCMWYMRAQJDJ-CYBMUJFWSA-N -1 1 312.333 0.604 20 30 DCEDMM C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001414394607 1005308788 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C#CC[C@@H](COC)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001588333695 1166529444 /nfs/dbraw/zinc/52/94/44/1166529444.db2.gz BOMXUYKMJWZLCD-VIFPVBQESA-N -1 1 320.378 0.766 20 30 DCEDMM C#CCC1(NC(=O)c2coc(-c3nnn[n-]3)c2)CCOCC1 ZINC001588335593 1166533172 /nfs/dbraw/zinc/53/31/72/1166533172.db2.gz RNYNSKCZSNUUKK-UHFFFAOYSA-N -1 1 301.306 0.762 20 30 DCEDMM C#CCC1(NC(=O)c2coc(-c3nn[n-]n3)c2)CCOCC1 ZINC001588335593 1166533177 /nfs/dbraw/zinc/53/31/77/1166533177.db2.gz RNYNSKCZSNUUKK-UHFFFAOYSA-N -1 1 301.306 0.762 20 30 DCEDMM C#CCCCC(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588341016 1166534337 /nfs/dbraw/zinc/53/43/37/1166534337.db2.gz RCKGFEYSTIPKKX-JTQLQIEISA-N -1 1 314.353 0.377 20 30 DCEDMM C#CCCCC(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588341016 1166534342 /nfs/dbraw/zinc/53/43/42/1166534342.db2.gz RCKGFEYSTIPKKX-JTQLQIEISA-N -1 1 314.353 0.377 20 30 DCEDMM C#CCCN(CCOC)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001588346743 1166538533 /nfs/dbraw/zinc/53/85/33/1166538533.db2.gz 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1166556609 /nfs/dbraw/zinc/55/66/09/1166556609.db2.gz OXBNEAKVSRTUIY-SECBINFHSA-N -1 1 316.369 0.786 20 30 DCEDMM C=CC[C@H](CO)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588546046 1166563331 /nfs/dbraw/zinc/56/33/31/1166563331.db2.gz VUGHVMLTFMSGGV-SSDOTTSWSA-N -1 1 309.355 0.059 20 30 DCEDMM C=CC[C@H](CO)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001588546046 1166563336 /nfs/dbraw/zinc/56/33/36/1166563336.db2.gz VUGHVMLTFMSGGV-SSDOTTSWSA-N -1 1 309.355 0.059 20 30 DCEDMM C=CCn1c(-c2c[nH]nc2-c2nn[n-]n2)nnc1N(C)C1CC1 ZINC001588700620 1166581656 /nfs/dbraw/zinc/58/16/56/1166581656.db2.gz VGQIMFDEMSYPGA-UHFFFAOYSA-N -1 1 312.341 0.633 20 30 DCEDMM CC(C)(C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccn1 ZINC001589059012 1166634142 /nfs/dbraw/zinc/63/41/42/1166634142.db2.gz LATNFJHKLZMGQD-UHFFFAOYSA-N -1 1 323.320 0.773 20 30 DCEDMM CC(C)C#CC(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001589389531 1166654876 /nfs/dbraw/zinc/65/48/76/1166654876.db2.gz GVPOQUWOMPLRBS-UHFFFAOYSA-N -1 1 314.353 0.234 20 30 DCEDMM 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N#C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1C1CC1 ZINC001592671375 1167593412 /nfs/dbraw/zinc/59/34/12/1167593412.db2.gz FKNMNGREPCGHBL-GFCCVEGCSA-N -1 1 324.348 0.074 20 30 DCEDMM N#Cc1[n-]c(NC(=O)c2ncc(Cl)s2)nc1-c1nn[nH]n1 ZINC001592681758 1167600604 /nfs/dbraw/zinc/60/06/04/1167600604.db2.gz HXOGUQTTYCYYND-UHFFFAOYSA-N -1 1 321.713 0.824 20 30 DCEDMM N#Cc1ccc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC001592690353 1167602411 /nfs/dbraw/zinc/60/24/11/1167602411.db2.gz SYQCLKDJXNUBPX-UHFFFAOYSA-N -1 1 306.285 0.783 20 30 DCEDMM N#Cc1ncc(N2CC[C@H]([C@H]3CCOC3)C2)nc1-c1nn[n-]n1 ZINC001592708382 1167606770 /nfs/dbraw/zinc/60/67/70/1167606770.db2.gz NLXPXDBFDGDPIQ-UWVGGRQHSA-N -1 1 312.337 0.391 20 30 DCEDMM N#Cc1nc(NCc2nnc(C3CC3)o2)cnc1-c1nnn[n-]1 ZINC001592707389 1167606837 /nfs/dbraw/zinc/60/68/37/1167606837.db2.gz AQXZIQKXEKIWHC-UHFFFAOYSA-N -1 1 310.281 0.401 20 30 DCEDMM N#Cc1nc(NCc2nnc(C3CC3)o2)cnc1-c1nn[n-]n1 ZINC001592707389 1167606841 /nfs/dbraw/zinc/60/68/41/1167606841.db2.gz AQXZIQKXEKIWHC-UHFFFAOYSA-N -1 1 310.281 0.401 20 30 DCEDMM N#Cc1c[n-]n2c1nc(C[N@@H+]1CCC[C@@H]3C[C@@]31C(=O)[O-])cc2=O ZINC001601130493 1168591418 /nfs/dbraw/zinc/59/14/18/1168591418.db2.gz HBVSYVIYBIMOKN-BMIGLBTASA-N -1 1 313.317 0.746 20 30 DCEDMM C#CC1(O)CCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001602676603 1169157188 /nfs/dbraw/zinc/15/71/88/1169157188.db2.gz CHWVITSWMQJCPQ-GFCCVEGCSA-N -1 1 308.378 0.158 20 30 DCEDMM C#C[C@@H](C)N(C)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001602690363 1169159781 /nfs/dbraw/zinc/15/97/81/1169159781.db2.gz TXLOBKDVWTVRBQ-MRVPVSSYSA-N -1 1 311.392 0.712 20 30 DCEDMM C#C[C@@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001602690783 1169160773 /nfs/dbraw/zinc/16/07/73/1169160773.db2.gz ZYZVGWUJPCRTTI-SSDOTTSWSA-N -1 1 318.362 0.783 20 30 DCEDMM C#CCN(CC#C)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001602720329 1169170386 /nfs/dbraw/zinc/17/03/86/1169170386.db2.gz VCKCDIIQXMBFPA-UHFFFAOYSA-N -1 1 301.256 0.854 20 30 DCEDMM 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PXTJOWJEELYSGM-UHFFFAOYSA-N -1 1 311.330 0.630 20 30 DCEDMM C=CC(C)(C)CNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001588489010 1166557562 /nfs/dbraw/zinc/55/75/62/1166557562.db2.gz UMNRCOUFOBAAAF-UHFFFAOYSA-N -1 1 308.367 0.752 20 30 DCEDMM C=CCC(C)(C)CNC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001588539790 1166560816 /nfs/dbraw/zinc/56/08/16/1166560816.db2.gz ZQGIQYPWNOFRRF-UHFFFAOYSA-N -1 1 319.373 0.360 20 30 DCEDMM C=CCC[C@H](CO)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001588577840 1166565026 /nfs/dbraw/zinc/56/50/26/1166565026.db2.gz OXSQSINVBRWDAN-SNVBAGLBSA-N -1 1 303.326 0.710 20 30 DCEDMM C=CCC[C@H](CO)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001588577840 1166565034 /nfs/dbraw/zinc/56/50/34/1166565034.db2.gz OXSQSINVBRWDAN-SNVBAGLBSA-N -1 1 303.326 0.710 20 30 DCEDMM C=CCCCC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588582661 1166565572 /nfs/dbraw/zinc/56/55/72/1166565572.db2.gz NGEBQEBTEFPBHP-UHFFFAOYSA-N -1 1 316.369 0.883 20 30 DCEDMM C=CCCCC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588582661 1166565578 /nfs/dbraw/zinc/56/55/78/1166565578.db2.gz NGEBQEBTEFPBHP-UHFFFAOYSA-N -1 1 316.369 0.883 20 30 DCEDMM C=CCCCC(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001588590332 1166565935 /nfs/dbraw/zinc/56/59/35/1166565935.db2.gz IKHYKMWGZGAWBK-JTQLQIEISA-N -1 1 316.369 0.930 20 30 DCEDMM C=CCCCC(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001588590332 1166565940 /nfs/dbraw/zinc/56/59/40/1166565940.db2.gz IKHYKMWGZGAWBK-JTQLQIEISA-N -1 1 316.369 0.930 20 30 DCEDMM C=CCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001588571449 1166566151 /nfs/dbraw/zinc/56/61/51/1166566151.db2.gz XFUNFUNBSFCTME-SNVBAGLBSA-N -1 1 314.353 0.318 20 30 DCEDMM C=CCNC(=O)CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588660038 1166575992 /nfs/dbraw/zinc/57/59/92/1166575992.db2.gz VMJRCLCQNIRJSW-UHFFFAOYSA-N -1 1 322.275 0.177 20 30 DCEDMM C=CCNC(=O)CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588660038 1166575997 /nfs/dbraw/zinc/57/59/97/1166575997.db2.gz VMJRCLCQNIRJSW-UHFFFAOYSA-N -1 1 322.275 0.177 20 30 DCEDMM C=CCn1cnnc1Sc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001588716586 1166580740 /nfs/dbraw/zinc/58/07/40/1166580740.db2.gz IGXHIFOZGGCDSY-UHFFFAOYSA-N -1 1 301.339 0.894 20 30 DCEDMM C=CCn1cnnc1Sc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001588716586 1166580743 /nfs/dbraw/zinc/58/07/43/1166580743.db2.gz IGXHIFOZGGCDSY-UHFFFAOYSA-N -1 1 301.339 0.894 20 30 DCEDMM C[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001589025713 1166629000 /nfs/dbraw/zinc/62/90/00/1166629000.db2.gz BOANHFFMCKWNSA-OPRDCNLKSA-N -1 1 316.325 0.645 20 30 DCEDMM CC(C)(C)C[C@H](CO)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589119065 1166635771 /nfs/dbraw/zinc/63/57/71/1166635771.db2.gz QDNXCIUMWMQJEN-MRVPVSSYSA-N -1 1 302.342 0.737 20 30 DCEDMM CC(C)(C)C[C@H](CO)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589119065 1166635772 /nfs/dbraw/zinc/63/57/72/1166635772.db2.gz QDNXCIUMWMQJEN-MRVPVSSYSA-N -1 1 302.342 0.737 20 30 DCEDMM C[C@@H](C[C@@H]1CCOC1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589803609 1166690422 /nfs/dbraw/zinc/69/04/22/1166690422.db2.gz 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C[C@@H](CC[S@](C)=O)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603499721 1169313632 /nfs/dbraw/zinc/31/36/32/1169313632.db2.gz URXODUURZVIESN-SGWXMTNESA-N -1 1 306.355 0.097 20 30 DCEDMM CC(C)[C@@](C)(C#N)NC(=O)CN1CCSC[C@H](C(=O)[O-])C1 ZINC001603714350 1169369668 /nfs/dbraw/zinc/36/96/68/1169369668.db2.gz NVKWMISDPOGNDK-BXUZGUMPSA-N -1 1 313.423 0.790 20 30 DCEDMM C[C@]1(CO)CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001603808710 1169399675 /nfs/dbraw/zinc/39/96/75/1169399675.db2.gz SKCAJDLUDYMVRP-ZDUSSCGKSA-N -1 1 300.326 0.127 20 30 DCEDMM C[C@]1(CO)CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001603808710 1169399685 /nfs/dbraw/zinc/39/96/85/1169399685.db2.gz SKCAJDLUDYMVRP-ZDUSSCGKSA-N -1 1 300.326 0.127 20 30 DCEDMM CC[C@H](CC#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001604014162 1169471143 /nfs/dbraw/zinc/47/11/43/1169471143.db2.gz RIXSTEOLJOMOMD-MRVPVSSYSA-N -1 1 324.341 0.976 20 30 DCEDMM COC(=O)c1cc(Cn2cnc(-c3nn[n-]n3)c2C#N)c(C)o1 ZINC001604967011 1169767105 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20 30 DCEDMM C#CC[C@@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001630864711 1171583338 /nfs/dbraw/zinc/58/33/38/1171583338.db2.gz VPFYQDHMFKXNQV-GFCCVEGCSA-N -1 1 301.346 0.779 20 30 DCEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C#N)CO ZINC001636605188 1171743743 /nfs/dbraw/zinc/74/37/43/1171743743.db2.gz NFWXUCISJBKYAO-NSHDSACASA-N -1 1 313.317 0.096 20 30 DCEDMM COC1(OC)CCN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@H]1O ZINC001639792406 1171850867 /nfs/dbraw/zinc/85/08/67/1171850867.db2.gz WXFXPYBVIBXYJE-ZDUSSCGKSA-N -1 1 306.318 0.460 20 30 DCEDMM C=CCN(C(=O)CNC(=O)c1ncccc1[O-])[C@H](C)COC ZINC001645337315 1172038395 /nfs/dbraw/zinc/03/83/95/1172038395.db2.gz BUUVLGBFONYQJU-LLVKDONJSA-N -1 1 307.350 0.567 20 30 DCEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(C)CCN(C)CC1 ZINC001652665886 1173773628 /nfs/dbraw/zinc/77/36/28/1173773628.db2.gz AXEXIXNONPXGNX-UHFFFAOYSA-N -1 1 317.393 0.287 20 30 DCEDMM CC#CCCCC(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001656085377 1173834788 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C=CCNC(=O)CN1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001699816991 1178302762 /nfs/dbraw/zinc/30/27/62/1178302762.db2.gz JQYVLKZDAVEREZ-MRXNPFEDSA-N -1 1 318.377 0.284 20 30 DCEDMM CC#CCCCC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)[C@H]1C ZINC001700820611 1178764003 /nfs/dbraw/zinc/76/40/03/1178764003.db2.gz FLGRJLSEDRMDTI-VXGBXAGGSA-N -1 1 305.382 0.783 20 30 DCEDMM C=CCOCC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001702491929 1179217904 /nfs/dbraw/zinc/21/79/04/1179217904.db2.gz WGHLOBOIHKCLTA-TXEJJXNPSA-N -1 1 319.361 0.614 20 30 DCEDMM C#CCCCC(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001703907898 1179714548 /nfs/dbraw/zinc/71/45/48/1179714548.db2.gz UCPYCCJNRPCIBD-HAQNSBGRSA-N -1 1 301.346 0.968 20 30 DCEDMM CC#CCN1CC[C@@H](N(CCC)C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001713717226 1181027949 /nfs/dbraw/zinc/02/79/49/1181027949.db2.gz HGJLGSRENNVDNB-LLVKDONJSA-N -1 1 319.365 0.233 20 30 DCEDMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001716415974 1182382822 /nfs/dbraw/zinc/38/28/22/1182382822.db2.gz OZZPNGMIKHSKQU-SCVCMEIPSA-N -1 1 309.370 0.086 20 30 DCEDMM C=C[C@](C)(O)CC(=O)NC/C=C/CNC(=O)c1ncccc1[O-] ZINC001721838791 1184072441 /nfs/dbraw/zinc/07/24/41/1184072441.db2.gz UJGLRNCEXMUPTR-APHBUQMISA-N -1 1 319.361 0.517 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001725507552 1184850328 /nfs/dbraw/zinc/85/03/28/1184850328.db2.gz SGVDNACUTLDBHH-AXFHLTTASA-N -1 1 309.370 0.038 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001725507559 1184852311 /nfs/dbraw/zinc/85/23/11/1184852311.db2.gz SGVDNACUTLDBHH-MXWKQRLJSA-N -1 1 309.370 0.038 20 30 DCEDMM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001731373876 1185304989 /nfs/dbraw/zinc/30/49/89/1185304989.db2.gz ZLBQFOKMARZMPA-NSHDSACASA-N -1 1 307.398 0.401 20 30 DCEDMM CC(C)N(CCCNC(=O)C#CC1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001732008430 1185633723 /nfs/dbraw/zinc/63/37/23/1185633723.db2.gz KSJKHWMORILSLU-UHFFFAOYSA-N -1 1 305.382 0.640 20 30 DCEDMM C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001733050397 1186119637 /nfs/dbraw/zinc/11/96/37/1186119637.db2.gz XMIOUNVDWYEDPH-NSHDSACASA-N -1 1 309.414 0.647 20 30 DCEDMM C=CCOCCN1CCOC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001754965685 1188982224 /nfs/dbraw/zinc/98/22/24/1188982224.db2.gz NZDHACPMHFQUTG-CYBMUJFWSA-N -1 1 321.377 0.420 20 30 DCEDMM C=C[C@](C)(O)CC(=O)N(CC)CCNC(=O)c1ncccc1[O-] ZINC001758998787 1190062450 /nfs/dbraw/zinc/06/24/50/1190062450.db2.gz WYFAKNYALSIBGV-INIZCTEOSA-N -1 1 321.377 0.693 20 30 DCEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN(C(N)=O)C2)o1 ZINC001771699288 1190471681 /nfs/dbraw/zinc/47/16/81/1190471681.db2.gz HUABWVRFPZMBGL-VIFPVBQESA-N -1 1 312.351 0.220 20 30 DCEDMM CC[C@@H]1[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCN1CC#N ZINC001087795431 749056408 /nfs/dbraw/zinc/05/64/08/749056408.db2.gz DBENSEYLBTXLKP-DTWKUNHWSA-N -1 1 321.337 0.003 20 30 DCEDMM C[C@@H](C#N)C(=O)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088281921 749336382 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DCEDMM CCN(CCNc1cncc(-c2nnn[n-]2)n1)C(=O)[C@H](C)C#N ZINC001578144153 1164935041 /nfs/dbraw/zinc/93/50/41/1164935041.db2.gz PPBIEPGFZQWLFM-SECBINFHSA-N -1 1 315.341 0.077 20 30 DCEDMM CCN(CCNc1cncc(-c2nn[n-]n2)n1)C(=O)[C@H](C)C#N ZINC001578144153 1164935043 /nfs/dbraw/zinc/93/50/43/1164935043.db2.gz PPBIEPGFZQWLFM-SECBINFHSA-N -1 1 315.341 0.077 20 30 DCEDMM CCn1cc([C@@H](C)Nc2cnc(C#N)c(-c3nn[n-]n3)n2)cn1 ZINC001578753900 1165096113 /nfs/dbraw/zinc/09/61/13/1165096113.db2.gz VZWBPTNNBCQRJX-MRVPVSSYSA-N -1 1 310.325 0.918 20 30 DCEDMM COC(=O)C[C@H]1CCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001579447380 1165312834 /nfs/dbraw/zinc/31/28/34/1165312834.db2.gz KJUMHLZQAIOMED-MRVPVSSYSA-N -1 1 314.309 0.060 20 30 DCEDMM COC(=O)C[C@H]1CCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001579447380 1165312836 /nfs/dbraw/zinc/31/28/36/1165312836.db2.gz KJUMHLZQAIOMED-MRVPVSSYSA-N -1 1 314.309 0.060 20 30 DCEDMM COC[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)[C@@H]1CCCO1 ZINC001579699799 1165378807 /nfs/dbraw/zinc/37/88/07/1165378807.db2.gz LWVMVWCFIWJMGZ-ZJUUUORDSA-N -1 1 316.325 0.134 20 30 DCEDMM COC[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)[C@@H]1CCCO1 ZINC001579699799 1165378814 /nfs/dbraw/zinc/37/88/14/1165378814.db2.gz LWVMVWCFIWJMGZ-ZJUUUORDSA-N -1 1 316.325 0.134 20 30 DCEDMM COc1cc(CCNc2cnc(-c3nnn[n-]3)c(C#N)n2)ccn1 ZINC001579923147 1165439143 /nfs/dbraw/zinc/43/91/43/1165439143.db2.gz MLKJZXHUHWWYML-UHFFFAOYSA-N -1 1 323.320 0.587 20 30 DCEDMM COc1cc(CCNc2cnc(-c3nn[n-]n3)c(C#N)n2)ccn1 ZINC001579923147 1165439146 /nfs/dbraw/zinc/43/91/46/1165439146.db2.gz MLKJZXHUHWWYML-UHFFFAOYSA-N -1 1 323.320 0.587 20 30 DCEDMM COc1ccncc1CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001580099603 1165503471 /nfs/dbraw/zinc/50/34/71/1165503471.db2.gz JODLQZFOFMWJLU-UHFFFAOYSA-N -1 1 309.293 0.544 20 30 DCEDMM COc1ccncc1CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001580099603 1165503476 /nfs/dbraw/zinc/50/34/76/1165503476.db2.gz JODLQZFOFMWJLU-UHFFFAOYSA-N -1 1 309.293 0.544 20 30 DCEDMM COc1ncc(NC(=O)N(C)C[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC001580134854 1165513481 /nfs/dbraw/zinc/51/34/81/1165513481.db2.gz NOTDZJMPBBSEFH-MRVPVSSYSA-N -1 1 316.325 0.894 20 30 DCEDMM Cn1ccnc1[C@H]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001581797536 1165877304 /nfs/dbraw/zinc/87/73/04/1165877304.db2.gz GJYGJJJJZPFSQP-VIFPVBQESA-N -1 1 322.336 0.256 20 30 DCEDMM N#Cc1[n-]c(NC(=O)c2cccc3c2OCC3)nc1-c1nn[nH]n1 ZINC001581860761 1165895326 /nfs/dbraw/zinc/89/53/26/1165895326.db2.gz RQMIEWKJQQDXET-UHFFFAOYSA-N -1 1 322.288 0.649 20 30 DCEDMM N#Cc1ncn(CCNc2nc(-c3nn[n-]n3)c(Cl)s2)n1 ZINC001581885781 1165903735 /nfs/dbraw/zinc/90/37/35/1165903735.db2.gz MPBPMFWAMNWBEE-UHFFFAOYSA-N -1 1 322.745 0.552 20 30 DCEDMM N#Cc1ncc(NC[C@@H]2CCC[C@H](O)C2)nc1-c1nn[n-]n1 ZINC001581884192 1165904782 /nfs/dbraw/zinc/90/47/82/1165904782.db2.gz ONPNEMFVMXMMEF-BDAKNGLRSA-N -1 1 300.326 0.491 20 30 DCEDMM C=C[C@](C)(O)CC(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC001581980077 1165930046 /nfs/dbraw/zinc/93/00/46/1165930046.db2.gz QZJBHLZHXYOPOU-HNNXBMFYSA-N -1 1 305.334 0.055 20 30 DCEDMM C[C@@H]1C(=O)N([N-]C(=O)c2c[nH]c3cccc(C#N)c32)C(=O)N1C ZINC001585143229 1166405217 /nfs/dbraw/zinc/40/52/17/1166405217.db2.gz GGFPXDAJNQAYRE-MRVPVSSYSA-N -1 1 311.301 0.967 20 30 DCEDMM C#CCNC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001588354457 1166546697 /nfs/dbraw/zinc/54/66/97/1166546697.db2.gz YTLVVJRVVGSQSR-UHFFFAOYSA-N -1 1 322.126 0.779 20 30 DCEDMM C#Cc1cccc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001588375012 1166549721 /nfs/dbraw/zinc/54/97/21/1166549721.db2.gz AMIAAMOJAKUSNB-VIFPVBQESA-N -1 1 308.305 0.639 20 30 DCEDMM C#CC[C@@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)C(=O)[O-] ZINC001588414579 1166551046 /nfs/dbraw/zinc/55/10/46/1166551046.db2.gz ONNMYRKLQDJIPK-SECBINFHSA-N -1 1 317.326 0.830 20 30 DCEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588401611 1166551842 /nfs/dbraw/zinc/55/18/42/1166551842.db2.gz VSTIHZSXYPHGHA-GWCFXTLKSA-N -1 1 314.349 0.973 20 30 DCEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588401611 1166551845 /nfs/dbraw/zinc/55/18/45/1166551845.db2.gz VSTIHZSXYPHGHA-GWCFXTLKSA-N -1 1 314.349 0.973 20 30 DCEDMM C=C[C@H](CC)CC(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588522777 1166560154 /nfs/dbraw/zinc/56/01/54/1166560154.db2.gz FXBXWWAUWOJMOK-SNVBAGLBSA-N -1 1 316.369 0.787 20 30 DCEDMM C=C[C@H](CC)CC(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588522777 1166560162 /nfs/dbraw/zinc/56/01/62/1166560162.db2.gz FXBXWWAUWOJMOK-SNVBAGLBSA-N -1 1 316.369 0.787 20 30 DCEDMM C=CCCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001588571416 1166565633 /nfs/dbraw/zinc/56/56/33/1166565633.db2.gz WYCAKSJOFARNPJ-JTQLQIEISA-N -1 1 314.353 0.318 20 30 DCEDMM C=CCCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001588571416 1166565638 /nfs/dbraw/zinc/56/56/38/1166565638.db2.gz WYCAKSJOFARNPJ-JTQLQIEISA-N -1 1 314.353 0.318 20 30 DCEDMM C=CCSCCNC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588689071 1166580710 /nfs/dbraw/zinc/58/07/10/1166580710.db2.gz XPQDNMABMZMMDK-MRVPVSSYSA-N -1 1 308.371 0.055 20 30 DCEDMM C=C[C@H](CO)[NH2+][C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC001588727616 1166582984 /nfs/dbraw/zinc/58/29/84/1166582984.db2.gz FCLKWGVTAMFNHV-SCZZXKLOSA-N -1 1 320.378 0.170 20 30 DCEDMM CC#CCCCCOC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588745686 1166585059 /nfs/dbraw/zinc/58/50/59/1166585059.db2.gz BCDKBLAMFLFSSX-SNVBAGLBSA-N -1 1 303.326 0.756 20 30 DCEDMM C[C@H](C#N)C(=O)N(C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001588926828 1166617091 /nfs/dbraw/zinc/61/70/91/1166617091.db2.gz YJGXTNFXTQFYHW-SECBINFHSA-N -1 1 315.341 0.077 20 30 DCEDMM C[C@H](C#N)C(=O)N(C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001588926828 1166617092 /nfs/dbraw/zinc/61/70/92/1166617092.db2.gz YJGXTNFXTQFYHW-SECBINFHSA-N -1 1 315.341 0.077 20 30 DCEDMM C[C@@H](C#N)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588928601 1166618957 /nfs/dbraw/zinc/61/89/57/1166618957.db2.gz OMCXTEFQMNUJQR-JTQLQIEISA-N -1 1 312.337 0.070 20 30 DCEDMM C[C@@H](C#N)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588928601 1166618960 /nfs/dbraw/zinc/61/89/60/1166618960.db2.gz OMCXTEFQMNUJQR-JTQLQIEISA-N -1 1 312.337 0.070 20 30 DCEDMM C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1cccc(O)c1 ZINC001589025297 1166628652 /nfs/dbraw/zinc/62/86/52/1166628652.db2.gz PUTHTFIRSSFEBP-ZETCQYMHSA-N -1 1 324.304 0.909 20 30 DCEDMM C[C@H](C(=O)Oc1ccc(C#N)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001589033492 1166630837 /nfs/dbraw/zinc/63/08/37/1166630837.db2.gz YBDLQERSXVXZBD-MRVPVSSYSA-N -1 1 310.277 0.496 20 30 DCEDMM CC1(C)CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCCO1 ZINC001590108168 1166775595 /nfs/dbraw/zinc/77/55/95/1166775595.db2.gz KULGMOJLASSXKJ-UHFFFAOYSA-N -1 1 300.326 0.534 20 30 DCEDMM CC1(C)CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCCO1 ZINC001590108168 1166775601 /nfs/dbraw/zinc/77/56/01/1166775601.db2.gz KULGMOJLASSXKJ-UHFFFAOYSA-N -1 1 300.326 0.534 20 30 DCEDMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@H](C)S1 ZINC001590315724 1166859370 /nfs/dbraw/zinc/85/93/70/1166859370.db2.gz IERQUUOWAYYSKI-YUMQZZPRSA-N -1 1 302.367 0.859 20 30 DCEDMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@H](C)S1 ZINC001590315724 1166859378 /nfs/dbraw/zinc/85/93/78/1166859378.db2.gz IERQUUOWAYYSKI-YUMQZZPRSA-N -1 1 302.367 0.859 20 30 DCEDMM CC[C@@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)[C@H](O)C(C)C ZINC001590473826 1166920122 /nfs/dbraw/zinc/92/01/22/1166920122.db2.gz SPCXPCJVLKWUDP-PRHODGIISA-N -1 1 302.342 0.736 20 30 DCEDMM CC[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCCO1 ZINC001590525566 1166932781 /nfs/dbraw/zinc/93/27/81/1166932781.db2.gz WZIBWRLEVNOCOF-SECBINFHSA-N -1 1 300.326 0.534 20 30 DCEDMM CC[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCS1 ZINC001590522827 1166933869 /nfs/dbraw/zinc/93/38/69/1166933869.db2.gz SQNPSZCIIGQPRK-QMMMGPOBSA-N -1 1 302.367 0.860 20 30 DCEDMM CC[C@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCS1 ZINC001590522827 1166933873 /nfs/dbraw/zinc/93/38/73/1166933873.db2.gz SQNPSZCIIGQPRK-QMMMGPOBSA-N -1 1 302.367 0.860 20 30 DCEDMM CCC[C@H](C)[C@@H](CO)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590548212 1166942951 /nfs/dbraw/zinc/94/29/51/1166942951.db2.gz PGXGZQSSULBRMN-WCBMZHEXSA-N -1 1 302.342 0.737 20 30 DCEDMM CCCn1c(C)nnc1Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001590662273 1166961574 /nfs/dbraw/zinc/96/15/74/1166961574.db2.gz MKTPPXIXJABOGD-UHFFFAOYSA-N -1 1 312.341 0.602 20 30 DCEDMM CCN(C[C@H](C)C#N)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001590682157 1166970525 /nfs/dbraw/zinc/97/05/25/1166970525.db2.gz DLTHUSSBGWFWQM-SNVBAGLBSA-N -1 1 315.337 0.037 20 30 DCEDMM CN(CC1CCOCC1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001591064657 1167098477 /nfs/dbraw/zinc/09/84/77/1167098477.db2.gz UGQIGTGCTCYSFW-UHFFFAOYSA-N -1 1 300.326 0.391 20 30 DCEDMM CN(Cc1cccc(O)c1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001591148047 1167115780 /nfs/dbraw/zinc/11/57/80/1167115780.db2.gz WAFHBVQWKVWZOQ-UHFFFAOYSA-N -1 1 308.305 0.870 20 30 DCEDMM CN(Cc1cccc(O)c1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001591148047 1167115786 /nfs/dbraw/zinc/11/57/86/1167115786.db2.gz WAFHBVQWKVWZOQ-UHFFFAOYSA-N -1 1 308.305 0.870 20 30 DCEDMM COC(=O)[C@@H]1CCCC[C@H]1Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001591253949 1167179899 /nfs/dbraw/zinc/17/98/99/1167179899.db2.gz GEWSEIRHWPGCRU-VHSXEESVSA-N -1 1 315.337 0.914 20 30 DCEDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC2(CC#N)CC2)c1 ZINC001591286389 1167200781 /nfs/dbraw/zinc/20/07/81/1167200781.db2.gz FLQQXOVQMBEHGN-UHFFFAOYSA-N -1 1 314.305 0.509 20 30 DCEDMM COC[C@@]1(C)CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001591386485 1167254058 /nfs/dbraw/zinc/25/40/58/1167254058.db2.gz MTMKSGOZYYJOEC-ZDUSSCGKSA-N -1 1 300.326 0.391 20 30 DCEDMM COCCN(CCC#N)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591422648 1167277466 /nfs/dbraw/zinc/27/74/66/1167277466.db2.gz OWSMTNKVXXSNKU-UHFFFAOYSA-N -1 1 301.310 0.264 20 30 DCEDMM COCCN(CCC#N)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591422648 1167277473 /nfs/dbraw/zinc/27/74/73/1167277473.db2.gz OWSMTNKVXXSNKU-UHFFFAOYSA-N -1 1 301.310 0.264 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1nnnn1C(C)(C)C ZINC001592335790 1167492591 /nfs/dbraw/zinc/49/25/91/1167492591.db2.gz IPLMHGDVJANVTR-UHFFFAOYSA-N -1 1 313.329 0.033 20 30 DCEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(C#N)cn2)n1 ZINC001592561143 1167563438 /nfs/dbraw/zinc/56/34/38/1167563438.db2.gz XSIQRJSUOWKPIV-UHFFFAOYSA-N -1 1 324.308 0.189 20 30 DCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(C#N)cn2)n1 ZINC001592561143 1167563442 /nfs/dbraw/zinc/56/34/42/1167563442.db2.gz XSIQRJSUOWKPIV-UHFFFAOYSA-N -1 1 324.308 0.189 20 30 DCEDMM N#CCN1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001592678377 1167599095 /nfs/dbraw/zinc/59/90/95/1167599095.db2.gz WKOSEMZCUQMCGG-UHFFFAOYSA-N -1 1 311.353 0.180 20 30 DCEDMM N#CCN1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001592678377 1167599100 /nfs/dbraw/zinc/59/91/00/1167599100.db2.gz WKOSEMZCUQMCGG-UHFFFAOYSA-N -1 1 311.353 0.180 20 30 DCEDMM N#Cc1ncc(N2CCC[C@H](c3cc[nH]n3)C2)nc1-c1nn[n-]n1 ZINC001592708441 1167606970 /nfs/dbraw/zinc/60/69/70/1167606970.db2.gz RHWRYORWOYPJNF-VIFPVBQESA-N -1 1 322.336 0.635 20 30 DCEDMM N#Cc1ncn(CN2C(=O)c3ccccc3C2=O)c1-c1nn[n-]n1 ZINC001592709545 1167610158 /nfs/dbraw/zinc/61/01/58/1167610158.db2.gz JEFWNASMPSSTGZ-UHFFFAOYSA-N -1 1 320.272 0.189 20 30 DCEDMM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 ZINC001601051871 1168577911 /nfs/dbraw/zinc/57/79/11/1168577911.db2.gz WIWQFGQUVMKHEG-JTQLQIEISA-N -1 1 317.349 0.667 20 30 DCEDMM N#Cc1cccnc1-n1cc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])nn1 ZINC001601127361 1168589649 /nfs/dbraw/zinc/58/96/49/1168589649.db2.gz JDKPLBGPKXQZFF-CYBMUJFWSA-N -1 1 312.333 0.973 20 30 DCEDMM N#Cc1cccnc1-n1cc(CN2CCCC[C@@H]2C(=O)[O-])nn1 ZINC001601127361 1168589654 /nfs/dbraw/zinc/58/96/54/1168589654.db2.gz JDKPLBGPKXQZFF-CYBMUJFWSA-N -1 1 312.333 0.973 20 30 DCEDMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001601783175 1168893263 /nfs/dbraw/zinc/89/32/63/1168893263.db2.gz SYYAGSFHVZTSKR-UONOGXRCSA-N -1 1 304.321 0.604 20 30 DCEDMM C#CCN(C1CCN(C)CC1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001602713598 1169168279 /nfs/dbraw/zinc/16/82/79/1169168279.db2.gz KOEQQGVMELUFML-LLVKDONJSA-N -1 1 302.396 0.066 20 30 DCEDMM C=CC[C@@H](CO)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001602816553 1169188755 /nfs/dbraw/zinc/18/87/55/1169188755.db2.gz QKNXAPIFWXPBHY-SECBINFHSA-N -1 1 305.313 0.920 20 30 DCEDMM C=CC[C@@H](CO)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001602816553 1169188759 /nfs/dbraw/zinc/18/87/59/1169188759.db2.gz QKNXAPIFWXPBHY-SECBINFHSA-N -1 1 305.313 0.920 20 30 DCEDMM C=CCN(CC=C)C(=O)Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001602850720 1169192472 /nfs/dbraw/zinc/19/24/72/1169192472.db2.gz SVCCURLHXPHLNQ-UHFFFAOYSA-N -1 1 300.322 0.229 20 30 DCEDMM C=CCCO[C@H](C)C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001602844242 1169193051 /nfs/dbraw/zinc/19/30/51/1169193051.db2.gz MQWJDPNSPYXRFU-SECBINFHSA-N -1 1 305.342 0.828 20 30 DCEDMM C=CCCO[C@H](C)C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001602844242 1169193052 /nfs/dbraw/zinc/19/30/52/1169193052.db2.gz MQWJDPNSPYXRFU-SECBINFHSA-N -1 1 305.342 0.828 20 30 DCEDMM C=CCOc1cccnc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001602869808 1169196703 /nfs/dbraw/zinc/19/67/03/1169196703.db2.gz GURPGPKZQKXLPE-UHFFFAOYSA-N -1 1 312.293 0.294 20 30 DCEDMM CC(C)[C@@H](C#N)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001603200848 1169273864 /nfs/dbraw/zinc/27/38/64/1169273864.db2.gz MIXHCKNGMPITHI-GFCCVEGCSA-N -1 1 313.369 0.327 20 30 DCEDMM CC(C)[C@@H](C#N)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001603200848 1169273873 /nfs/dbraw/zinc/27/38/73/1169273873.db2.gz MIXHCKNGMPITHI-GFCCVEGCSA-N -1 1 313.369 0.327 20 30 DCEDMM CCC[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCO1 ZINC001604152129 1169507425 /nfs/dbraw/zinc/50/74/25/1169507425.db2.gz IEPYHTJPPOKBKJ-VIFPVBQESA-N -1 1 300.326 0.534 20 30 DCEDMM CCC[C@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCO1 ZINC001604152129 1169507428 /nfs/dbraw/zinc/50/74/28/1169507428.db2.gz IEPYHTJPPOKBKJ-VIFPVBQESA-N -1 1 300.326 0.534 20 30 DCEDMM CCOC[C@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001604421649 1169589866 /nfs/dbraw/zinc/58/98/66/1169589866.db2.gz ZNDVAMDDKXGCOR-JTQLQIEISA-N -1 1 314.353 0.781 20 30 DCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCN(CCC#N)CC1 ZINC001606166399 1170100123 /nfs/dbraw/zinc/10/01/23/1170100123.db2.gz QZGCWEBJJCUTJJ-UHFFFAOYSA-N -1 1 315.337 0.440 20 30 DCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCN(CCC#N)CC1 ZINC001606166399 1170100127 /nfs/dbraw/zinc/10/01/27/1170100127.db2.gz QZGCWEBJJCUTJJ-UHFFFAOYSA-N -1 1 315.337 0.440 20 30 DCEDMM N#Cc1c(-c2nn[nH]n2)nc(N)n1CCCOC(F)(F)F ZINC001606355856 1170169117 /nfs/dbraw/zinc/16/91/17/1170169117.db2.gz SHKMXQWOIZOETB-UHFFFAOYSA-N -1 1 302.220 0.444 20 30 DCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CCCOC(F)(F)F ZINC001606355856 1170169119 /nfs/dbraw/zinc/16/91/19/1170169119.db2.gz SHKMXQWOIZOETB-UHFFFAOYSA-N -1 1 302.220 0.444 20 30 DCEDMM N#Cc1nc(N[C@H]2CCO[C@H](C3CC3)C2)cnc1-c1nnn[n-]1 ZINC001606393152 1170181240 /nfs/dbraw/zinc/18/12/40/1170181240.db2.gz PTHZTXIRVWTAMF-ONGXEEELSA-N -1 1 312.337 0.898 20 30 DCEDMM N#Cc1nc(N[C@H]2CCO[C@H](C3CC3)C2)cnc1-c1nn[n-]n1 ZINC001606393152 1170181241 /nfs/dbraw/zinc/18/12/41/1170181241.db2.gz PTHZTXIRVWTAMF-ONGXEEELSA-N -1 1 312.337 0.898 20 30 DCEDMM O=C(N[C@@H]1CCCN(O)C1=O)c1csc(-c2nn[n-]n2)c1 ZINC001606662307 1170255290 /nfs/dbraw/zinc/25/52/90/1170255290.db2.gz FLOWQNHRIWZOLY-SSDOTTSWSA-N -1 1 308.323 0.038 20 30 DCEDMM N#Cc1c(CN2C[C@H](CCO)[C@H](CO)C2)cccc1C(=O)[O-] ZINC001608191920 1170614006 /nfs/dbraw/zinc/61/40/06/1170614006.db2.gz RCCKBYJOOUWGAG-AAEUAGOBSA-N -1 1 304.346 0.679 20 30 DCEDMM CC(C)(CC#N)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609083091 1170802900 /nfs/dbraw/zinc/80/29/00/1170802900.db2.gz UWMKVKJHXSFEHV-UHFFFAOYSA-N -1 1 321.366 0.480 20 30 DCEDMM CC(C)(CC#N)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609083091 1170802905 /nfs/dbraw/zinc/80/29/05/1170802905.db2.gz UWMKVKJHXSFEHV-UHFFFAOYSA-N -1 1 321.366 0.480 20 30 DCEDMM C[C@H](NC(=S)NN=Cc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001609122786 1170817763 /nfs/dbraw/zinc/81/77/63/1170817763.db2.gz OXZXLXZDBSFBRM-QMMMGPOBSA-N -1 1 316.394 0.858 20 30 DCEDMM C[C@H](NC(=S)NN=Cc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001609122786 1170817772 /nfs/dbraw/zinc/81/77/72/1170817772.db2.gz OXZXLXZDBSFBRM-QMMMGPOBSA-N -1 1 316.394 0.858 20 30 DCEDMM CCOc1ccccc1Cn1c(N)nc(-c2nn[n-]n2)c1C#N ZINC001609246600 1170899136 /nfs/dbraw/zinc/89/91/36/1170899136.db2.gz PRHWVQOPQLHIFU-UHFFFAOYSA-N -1 1 310.321 0.964 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1CC(=O)COc1ccccc1 ZINC001609445438 1170981497 /nfs/dbraw/zinc/98/14/97/1170981497.db2.gz GWNJQPCKQRQBTI-UHFFFAOYSA-N -1 1 323.316 0.891 20 30 DCEDMM N#Cc1ncn(CC(=O)c2ccncc2Cl)c1-c1nn[n-]n1 ZINC001609501551 1171000660 /nfs/dbraw/zinc/00/06/60/1171000660.db2.gz WRVYOWVWTPRURG-UHFFFAOYSA-N -1 1 314.696 0.866 20 30 DCEDMM O=C1CNC(=O)N1N=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl ZINC001609589201 1171033547 /nfs/dbraw/zinc/03/35/47/1171033547.db2.gz NAJOMSOPZRGUCY-UHFFFAOYSA-N -1 1 323.675 0.545 20 30 DCEDMM O=C1CNC(=O)N1N=Cc1ccc(F)c(-c2nn[n-]n2)c1Cl ZINC001609589201 1171033555 /nfs/dbraw/zinc/03/35/55/1171033555.db2.gz NAJOMSOPZRGUCY-UHFFFAOYSA-N -1 1 323.675 0.545 20 30 DCEDMM N#Cc1cnn(C([O-])=C2CCCN(CC(F)(F)F)C2=O)c1N ZINC001634236346 1171668159 /nfs/dbraw/zinc/66/81/59/1171668159.db2.gz QPTFPSKDUKEWKS-QMMMGPOBSA-N -1 1 315.255 0.778 20 30 DCEDMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)C#CCOC ZINC001637909041 1171781781 /nfs/dbraw/zinc/78/17/81/1171781781.db2.gz BZXOQIBEXXBDRQ-SNVBAGLBSA-N -1 1 306.322 0.295 20 30 DCEDMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)C#CCOC ZINC001637909041 1171781786 /nfs/dbraw/zinc/78/17/86/1171781786.db2.gz BZXOQIBEXXBDRQ-SNVBAGLBSA-N -1 1 306.322 0.295 20 30 DCEDMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)C#CCOC ZINC001637909041 1171781787 /nfs/dbraw/zinc/78/17/87/1171781787.db2.gz BZXOQIBEXXBDRQ-SNVBAGLBSA-N -1 1 306.322 0.295 20 30 DCEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCn2cccnc2=O)o1 ZINC001662831155 1174245368 /nfs/dbraw/zinc/24/53/68/1174245368.db2.gz IVGXXSPKEYQYDU-UHFFFAOYSA-N -1 1 308.319 0.077 20 30 DCEDMM N#Cc1cc(C(=O)NCCCNC(=O)c2ncccc2[O-])c[nH]1 ZINC001686969173 1176257024 /nfs/dbraw/zinc/25/70/24/1176257024.db2.gz SKZTYLHPIAFQJY-UHFFFAOYSA-N -1 1 313.317 0.537 20 30 DCEDMM C#CCOCCC(=O)NCCN(CC)C(=O)c1ncccc1[O-] ZINC001688398697 1176481671 /nfs/dbraw/zinc/48/16/71/1176481671.db2.gz RBKQBKZHXRFUOR-UHFFFAOYSA-N -1 1 319.361 0.405 20 30 DCEDMM C=CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001701184906 1178949832 /nfs/dbraw/zinc/94/98/32/1178949832.db2.gz ZYFNYNQCHMRWQV-NEPJUHHUSA-N -1 1 321.377 0.955 20 30 DCEDMM O=C(C#CC1CC1)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001704398300 1179998904 /nfs/dbraw/zinc/99/89/04/1179998904.db2.gz ZOYZVEIWXJBESB-UHFFFAOYSA-N -1 1 313.357 0.921 20 30 DCEDMM C=CCOCC(=O)NC[C@@H](CC)NC(=O)c1ncccc1[O-] ZINC001704632020 1180096183 /nfs/dbraw/zinc/09/61/83/1180096183.db2.gz FKFPQQULLLFDNF-LLVKDONJSA-N -1 1 307.350 0.614 20 30 DCEDMM C=CCOCC(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001705392124 1180370749 /nfs/dbraw/zinc/37/07/49/1180370749.db2.gz ORLZMSMAZBXJMK-INIZCTEOSA-N -1 1 319.361 0.711 20 30 DCEDMM C=C[C@@](C)(CC)C(=O)N[C@H](C)CN(C)Cc1nc(=O)n(C)[n-]1 ZINC001716493466 1182411790 /nfs/dbraw/zinc/41/17/90/1182411790.db2.gz LISMXWMRHZCXSK-ABAIWWIYSA-N -1 1 309.414 0.647 20 30 DCEDMM COCC#CCN(C)CCN(C(=O)c1n[nH]c(C)c1[O-])C(C)C ZINC001717946853 1183086280 /nfs/dbraw/zinc/08/62/80/1183086280.db2.gz AGHYVNKTQNFVTD-UHFFFAOYSA-N -1 1 322.409 0.856 20 30 DCEDMM C=CCCOCC(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001718153497 1183151042 /nfs/dbraw/zinc/15/10/42/1183151042.db2.gz HELPFFJZXRLIIB-GFCCVEGCSA-N -1 1 321.377 0.957 20 30 DCEDMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C#CC(C)C ZINC001725232655 1184730106 /nfs/dbraw/zinc/73/01/06/1184730106.db2.gz HZSNEDBSYCFJBL-GFCCVEGCSA-N -1 1 307.398 0.934 20 30 DCEDMM C#CCCCC(=O)N1CC[C@H]2[C@@H](CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001732606079 1185871015 /nfs/dbraw/zinc/87/10/15/1185871015.db2.gz YNQFLRBPSSXECE-STQMWFEESA-N -1 1 317.393 0.737 20 30 DCEDMM C#CCCCCCC(=O)NC[C@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001733219538 1186187037 /nfs/dbraw/zinc/18/70/37/1186187037.db2.gz PUQUIQMSEGQVQA-CYBMUJFWSA-N -1 1 319.409 0.383 20 30 DCEDMM C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001734759453 1186738621 /nfs/dbraw/zinc/73/86/21/1186738621.db2.gz ZGJIOCDSBAULCX-NEPJUHHUSA-N -1 1 319.361 0.402 20 30 DCEDMM C#CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC001737525684 1187353115 /nfs/dbraw/zinc/35/31/15/1187353115.db2.gz VVUHUOABEHKNAT-JYAVWHMHSA-N -1 1 313.357 0.777 20 30 DCEDMM C#CCOCCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001743049800 1188092583 /nfs/dbraw/zinc/09/25/83/1188092583.db2.gz FUYVODOSRBYQFX-GFCCVEGCSA-N -1 1 317.345 0.158 20 30 DCEDMM CC#CCCCC(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001753107664 1188501727 /nfs/dbraw/zinc/50/17/27/1188501727.db2.gz CKJODSWJPVAWSN-CYBMUJFWSA-N -1 1 319.409 0.383 20 30 DCEDMM C=C(Cl)C[C@@H](NC(=O)NCCN1CCCOCC1)C(=O)[O-] ZINC001771917958 1190554632 /nfs/dbraw/zinc/55/46/32/1190554632.db2.gz NWRMQLOWHKGVQU-LLVKDONJSA-N -1 1 319.789 0.604 20 30 DCEDMM C=C(Br)CN[C@H]1C[C@@H](C)N(C(=O)CNC(=O)[O-])C1 ZINC001573313190 962727805 /nfs/dbraw/zinc/72/78/05/962727805.db2.gz FNHHLEHALYDCJM-BDAKNGLRSA-N -1 1 320.187 0.742 20 30 DCEDMM C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)c1ncccc1[O-] ZINC001104536932 747694817 /nfs/dbraw/zinc/69/48/17/747694817.db2.gz XWOKOQPUOHSDDA-SNVBAGLBSA-N -1 1 312.333 0.443 20 30 DCEDMM N#Cc1nccc(N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001046334234 753651838 /nfs/dbraw/zinc/65/18/38/753651838.db2.gz ZJPKBIPERRIDKU-PHIMTYICSA-N -1 1 324.344 0.491 20 30 DCEDMM C=C(Cl)CN1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001090214955 754382593 /nfs/dbraw/zinc/38/25/93/754382593.db2.gz BIZSKEZBGDMCFV-PWSUYJOCSA-N -1 1 311.769 0.705 20 30 DCEDMM N#Cc1nccnc1N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001062479983 754760984 /nfs/dbraw/zinc/76/09/84/754760984.db2.gz WNAANZURLZHKHH-QWRGUYRKSA-N -1 1 322.328 0.552 20 30 DCEDMM CC#CCN1CC2(C1)C[C@H](NC(=O)c1ncccc1[O-])CO2 ZINC001053784858 756202902 /nfs/dbraw/zinc/20/29/02/756202902.db2.gz ZSPJQLIKCTYVMZ-LBPRGKRZSA-N -1 1 301.346 0.384 20 30 DCEDMM C#CCCN1CC2(C1)C[C@H](NC(=O)c1ncccc1[O-])CO2 ZINC001053784462 756203091 /nfs/dbraw/zinc/20/30/91/756203091.db2.gz OTIFVFKGQFGADY-LBPRGKRZSA-N -1 1 301.346 0.384 20 30 DCEDMM C=CCCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001081335501 756580300 /nfs/dbraw/zinc/58/03/00/756580300.db2.gz LUUYTGLWTNSIGI-WCQYABFASA-N -1 1 319.361 0.303 20 30 DCEDMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2ccc(C#N)nn2)C1 ZINC001065245671 758292264 /nfs/dbraw/zinc/29/22/64/758292264.db2.gz YMKMHPCGMLUEBU-MRXNPFEDSA-N -1 1 324.344 0.848 20 30 DCEDMM C#C[C@@H]1CCCCN1c1nnc(Cc2nnn[n-]2)n1CC1CC1 ZINC001123488269 767987080 /nfs/dbraw/zinc/98/70/80/767987080.db2.gz HBDUNZGSJSGDQM-GFCCVEGCSA-N -1 1 312.381 0.784 20 30 DCEDMM C#C[C@@H]1CCCCN1c1nnc(Cc2nn[n-]n2)n1CC1CC1 ZINC001123488269 767987082 /nfs/dbraw/zinc/98/70/82/767987082.db2.gz HBDUNZGSJSGDQM-GFCCVEGCSA-N -1 1 312.381 0.784 20 30 DCEDMM C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)c1ncccc1[O-] ZINC001108946339 761165368 /nfs/dbraw/zinc/16/53/68/761165368.db2.gz 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307.331 0.433 20 30 DCEDMM C=CCCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573327818 947397899 /nfs/dbraw/zinc/39/78/99/947397899.db2.gz LEUXXVBMDQWIME-UHFFFAOYSA-N -1 1 314.353 0.106 20 30 DCEDMM C=CC[C@H](NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC001262175554 947593153 /nfs/dbraw/zinc/59/31/53/947593153.db2.gz KJUHLNVBCGFJBN-XQQFMLRXSA-N -1 1 313.398 0.814 20 30 DCEDMM C=CCn1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001573351217 947610760 /nfs/dbraw/zinc/61/07/60/947610760.db2.gz OKOAZJMFUGBKIP-UHFFFAOYSA-N -1 1 316.350 0.636 20 30 DCEDMM C#C[C@H]1CCCCN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001262775213 947770256 /nfs/dbraw/zinc/77/02/56/947770256.db2.gz BLBOHHVIKVNRAX-NSHDSACASA-N -1 1 311.345 0.295 20 30 DCEDMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCO[C@@H](CCF)C1 ZINC001263287674 947828091 /nfs/dbraw/zinc/82/80/91/947828091.db2.gz PDQJTDOFIIPNRI-JTQLQIEISA-N -1 1 322.348 0.599 20 30 DCEDMM C=C(C)Cn1c(-c2nn[n-]n2)nnc1N1CCO[C@@H](CCF)C1 ZINC001263287674 947828096 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C[C@@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H]1CO ZINC001365320461 950952169 /nfs/dbraw/zinc/95/21/69/950952169.db2.gz ZDBBIGKNGRDCGE-PWSUYJOCSA-N -1 1 301.350 0.757 20 30 DCEDMM C=C(C)CCC(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCOCC1 ZINC001281240070 951386286 /nfs/dbraw/zinc/38/62/86/951386286.db2.gz UYXIVZLFWZKDRM-UHFFFAOYSA-N -1 1 323.397 0.622 20 30 DCEDMM Cn1cnc(S(=O)(=O)[N-]Cc2cncc(C#N)c2)c1Cl ZINC001365739739 951494326 /nfs/dbraw/zinc/49/43/26/951494326.db2.gz XUUXSBMHFKEGGT-UHFFFAOYSA-N -1 1 311.754 0.819 20 30 DCEDMM CC(C)[C@@H](C#N)N1CCN(C(=O)CCCc2nn[n-]n2)CC1 ZINC001411732187 952415435 /nfs/dbraw/zinc/41/54/35/952415435.db2.gz DCVAPGLOWGNYER-GFCCVEGCSA-N -1 1 305.386 0.215 20 30 DCEDMM C=CCOC[C@@H](NC(=O)C(C)(C)CN1CCOCC1)C(=O)[O-] ZINC001339523365 953099860 /nfs/dbraw/zinc/09/98/60/953099860.db2.gz HVFYDSSLSYLORX-GFCCVEGCSA-N -1 1 314.382 0.117 20 30 DCEDMM C=CC[C@H]1CCCN(c2nnc(-c3nnn[n-]3)n2CCOC)C1 ZINC001341600764 953239824 /nfs/dbraw/zinc/23/98/24/953239824.db2.gz DJFOVJAHDLGRBF-NSHDSACASA-N -1 1 318.385 0.897 20 30 DCEDMM C=CC[C@H]1CCCN(c2nnc(-c3nn[n-]n3)n2CCOC)C1 ZINC001341600764 953239829 /nfs/dbraw/zinc/23/98/29/953239829.db2.gz DJFOVJAHDLGRBF-NSHDSACASA-N -1 1 318.385 0.897 20 30 DCEDMM C=C(C)Cn1c(Cc2nnn[n-]2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001342020307 953264098 /nfs/dbraw/zinc/26/40/98/953264098.db2.gz IXQPCEAERWAWKW-QWRGUYRKSA-N -1 1 300.370 0.804 20 30 DCEDMM C=C(C)Cn1c(Cc2nn[n-]n2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001342020307 953264100 /nfs/dbraw/zinc/26/41/00/953264100.db2.gz IXQPCEAERWAWKW-QWRGUYRKSA-N -1 1 300.370 0.804 20 30 DCEDMM C#CCN(CC)c1nnc(-c2nnn[n-]2)n1C[C@@H]1CCCO1 ZINC001343053147 953320808 /nfs/dbraw/zinc/32/08/08/953320808.db2.gz WDARKRPQGQFZNP-JTQLQIEISA-N -1 1 302.342 0.097 20 30 DCEDMM C#CCN(CC)c1nnc(-c2nn[n-]n2)n1C[C@@H]1CCCO1 ZINC001343053147 953320812 /nfs/dbraw/zinc/32/08/12/953320812.db2.gz WDARKRPQGQFZNP-JTQLQIEISA-N -1 1 302.342 0.097 20 30 DCEDMM C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1 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C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(CC(=O)[O-])CC1 ZINC001589387396 986492110 /nfs/dbraw/zinc/49/21/10/986492110.db2.gz HONKFMUPZFHPQF-CYBMUJFWSA-N -1 1 322.409 0.420 20 30 DCEDMM CN(C)CC#CCNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598197064 990805384 /nfs/dbraw/zinc/80/53/84/990805384.db2.gz QMOUZUJSUZGPFL-PBHICJAKSA-N -1 1 300.358 0.926 20 30 DCEDMM C[C@@H](C#N)C(=O)N[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001394324141 993622428 /nfs/dbraw/zinc/62/24/28/993622428.db2.gz NDHFRDXAFZBTQZ-ZUZCIYMTSA-N -1 1 302.334 0.668 20 30 DCEDMM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccnc(C#N)c1 ZINC001464839408 1015953751 /nfs/dbraw/zinc/95/37/51/1015953751.db2.gz QSPYINZMMYHRHQ-UHFFFAOYSA-N -1 1 316.408 0.795 20 30 DCEDMM COc1ccc(C#N)cc1CNCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001599477025 998549567 /nfs/dbraw/zinc/54/95/67/998549567.db2.gz UNMMHTHZVBJGST-OLZOCXBDSA-N -1 1 317.345 0.493 20 30 DCEDMM C#CC[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)C(=O)OC ZINC001468876321 1016287209 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N#Cc1ccc(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)cc1[O-] ZINC001434279105 1009717982 /nfs/dbraw/zinc/71/79/82/1009717982.db2.gz RWDGTHFRZSFHPG-HIFRSBDPSA-N -1 1 313.313 0.483 20 30 DCEDMM CSc1ncc(C(=O)NCC2(C#N)CCOCC2)c(=O)[n-]1 ZINC001457112402 1011591807 /nfs/dbraw/zinc/59/18/07/1011591807.db2.gz VTKNXEFMNNQCAI-UHFFFAOYSA-N -1 1 308.363 0.954 20 30 DCEDMM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)co1 ZINC001561868140 1012477599 /nfs/dbraw/zinc/47/75/99/1012477599.db2.gz KNRNZEUQBVSCRM-JTQLQIEISA-N -1 1 303.336 0.672 20 30 DCEDMM C=CCON=C([O-])Nc1ccc(Cc2[nH]c(O)nc2O)cc1 ZINC001562511204 1012493374 /nfs/dbraw/zinc/49/33/74/1012493374.db2.gz CAFYXPQLIXPRGK-NSHDSACASA-N -1 1 304.306 0.676 20 30 DCEDMM C=CCN(CCOC)c1nnc(-c2nnn[n-]2)n1CC(C)C ZINC001517479707 1017172391 /nfs/dbraw/zinc/17/23/91/1017172391.db2.gz WVMHZZGZCZIYFE-UHFFFAOYSA-N -1 1 306.374 0.753 20 30 DCEDMM C=CCN(CCOC)c1nnc(-c2nn[n-]n2)n1CC(C)C ZINC001517479707 1017172402 /nfs/dbraw/zinc/17/24/02/1017172402.db2.gz WVMHZZGZCZIYFE-UHFFFAOYSA-N -1 1 306.374 0.753 20 30 DCEDMM CON=Cc1ccc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)cc1 ZINC001520461278 1017277952 /nfs/dbraw/zinc/27/79/52/1017277952.db2.gz WOQPJUINUWOHIQ-LBPRGKRZSA-N -1 1 300.322 0.810 20 30 DCEDMM C#CCCCC(=O)N1CC[C@@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001501559290 1019294122 /nfs/dbraw/zinc/29/41/22/1019294122.db2.gz UIEIUNUBIVGPBJ-GFCCVEGCSA-N -1 1 305.382 0.642 20 30 DCEDMM C#CCN1CCC[C@@H]1CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001663547328 1174318759 /nfs/dbraw/zinc/31/87/59/1174318759.db2.gz DIONJGLSALFQGT-SNVBAGLBSA-N -1 1 319.327 0.657 20 30 DCEDMM C=C[C@@H](CC)CC(=O)N(C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001671162646 1171676410 /nfs/dbraw/zinc/67/64/10/1171676410.db2.gz NSPHIECJADHYPP-NSHDSACASA-N -1 1 307.398 0.353 20 30 DCEDMM CCOC(=O)c1[n-]nnc1[C@@H]1CCCN1C(=O)CSCC#N ZINC001637909635 1171782045 /nfs/dbraw/zinc/78/20/45/1171782045.db2.gz IHJJPVJPWBWBGQ-VIFPVBQESA-N -1 1 323.378 0.902 20 30 DCEDMM CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)CSCC#N 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/nfs/dbraw/zinc/96/38/55/1164963855.db2.gz DQKSARBBAWIUHG-MRVPVSSYSA-N -1 1 316.325 0.530 20 30 DCEDMM CCOC(=O)c1cnn(Cc2ccc(C#N)o2)c1-c1nn[n-]n1 ZINC001578254237 1164964723 /nfs/dbraw/zinc/96/47/23/1164964723.db2.gz FKZKJBJPSJJGTD-UHFFFAOYSA-N -1 1 313.277 0.753 20 30 DCEDMM CO[C@@H]1[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C1(C)C ZINC001579602381 1165356820 /nfs/dbraw/zinc/35/68/20/1165356820.db2.gz IGIJHLSGIUPXEZ-CQFDHEJISA-N -1 1 314.353 1.000 20 30 DCEDMM CO[C@@H]1[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C1(C)C ZINC001579602381 1165356827 /nfs/dbraw/zinc/35/68/27/1165356827.db2.gz IGIJHLSGIUPXEZ-CQFDHEJISA-N -1 1 314.353 1.000 20 30 DCEDMM CO[C@@H]1[C@H](C)[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)C1(C)C ZINC001579602382 1165357058 /nfs/dbraw/zinc/35/70/58/1165357058.db2.gz IGIJHLSGIUPXEZ-NZXMKCKXSA-N -1 1 314.353 1.000 20 30 DCEDMM CO[C@@H]1[C@H](C)[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)C1(C)C ZINC001579602382 1165357063 /nfs/dbraw/zinc/35/70/63/1165357063.db2.gz 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N#Cc1nc(N2CCC[C@H](CCO)CC2)cnc1-c1nn[n-]n1 ZINC001581879629 1165899004 /nfs/dbraw/zinc/89/90/04/1165899004.db2.gz RFMCHHJEBFILSC-JTQLQIEISA-N -1 1 314.353 0.517 20 30 DCEDMM N#Cc1ncc(N[C@H]2c3ccccc3C[C@@H]2O)nc1-c1nn[n-]n1 ZINC001581883163 1165901113 /nfs/dbraw/zinc/90/11/13/1165901113.db2.gz QFXSIMIBZYJNCE-AAEUAGOBSA-N -1 1 320.316 0.599 20 30 DCEDMM N#Cc1ncc(N2CCc3ccc(O)cc3C2)nc1-c1nn[n-]n1 ZINC001581882811 1165902343 /nfs/dbraw/zinc/90/23/43/1165902343.db2.gz IDZKYHNXYFMJBE-UHFFFAOYSA-N -1 1 320.316 0.797 20 30 DCEDMM C#CCN(C1CC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588349901 1166540940 /nfs/dbraw/zinc/54/09/40/1166540940.db2.gz QRCDKRQOXNCDBB-UHFFFAOYSA-N -1 1 321.337 0.792 20 30 DCEDMM C#CCN1CCC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)CC1 ZINC001588476710 1166556880 /nfs/dbraw/zinc/55/68/80/1166556880.db2.gz RDYBGLMJTYWZTK-UONOGXRCSA-N -1 1 308.378 0.613 20 30 DCEDMM C=CCCC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001588570991 1166564591 /nfs/dbraw/zinc/56/45/91/1166564591.db2.gz SNRACTSKWKIALG-SNVBAGLBSA-N -1 1 316.369 0.564 20 30 DCEDMM C=CCCC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001588570991 1166564599 /nfs/dbraw/zinc/56/45/99/1166564599.db2.gz SNRACTSKWKIALG-SNVBAGLBSA-N -1 1 316.369 0.564 20 30 DCEDMM C=CCCC(=O)N[C@@H](C)CN(C)c1nccnc1-c1nnn[n-]1 ZINC001588571103 1166566162 /nfs/dbraw/zinc/56/61/62/1166566162.db2.gz GXOIFSJZFNVHPE-JTQLQIEISA-N -1 1 316.369 0.564 20 30 DCEDMM C=CCCC(=O)N[C@@H](C)CN(C)c1nccnc1-c1nn[n-]n1 ZINC001588571103 1166566165 /nfs/dbraw/zinc/56/61/65/1166566165.db2.gz GXOIFSJZFNVHPE-JTQLQIEISA-N -1 1 316.369 0.564 20 30 DCEDMM C=CCN(CC=C)C(=O)COc1cccnc1-c1nnn[n-]1 ZINC001588631666 1166574250 /nfs/dbraw/zinc/57/42/50/1166574250.db2.gz KMNAVDNFQDPRIX-UHFFFAOYSA-N -1 1 300.322 0.841 20 30 DCEDMM C=CCN(CC=C)C(=O)COc1cccnc1-c1nn[n-]n1 ZINC001588631666 1166574252 /nfs/dbraw/zinc/57/42/52/1166574252.db2.gz KMNAVDNFQDPRIX-UHFFFAOYSA-N -1 1 300.322 0.841 20 30 DCEDMM CC#CC[C@H](CO)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001588738859 1166584696 /nfs/dbraw/zinc/58/46/96/1166584696.db2.gz SXDKEMNVKMAVDV-SNVBAGLBSA-N -1 1 309.333 0.996 20 30 DCEDMM CC#CC[C@H](CO)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001588738859 1166584702 /nfs/dbraw/zinc/58/47/02/1166584702.db2.gz SXDKEMNVKMAVDV-SNVBAGLBSA-N -1 1 309.333 0.996 20 30 DCEDMM C[C@@H](C(=O)N[C@H](C#N)C1CCCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588966248 1166624360 /nfs/dbraw/zinc/62/43/60/1166624360.db2.gz XGNBZCXHDWWZFN-WCBMZHEXSA-N -1 1 315.341 0.218 20 30 DCEDMM CC(C)c1nnc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)[nH]1 ZINC001589778982 1166686214 /nfs/dbraw/zinc/68/62/14/1166686214.db2.gz UJHZERQQMODKHL-UHFFFAOYSA-N -1 1 311.313 0.382 20 30 DCEDMM C[C@@H]1C(=O)N(N=Cc2csc(-c3nn[n-]n3)c2)C(=O)N1C ZINC001590164976 1166795510 /nfs/dbraw/zinc/79/55/10/1166795510.db2.gz JEGHIKGXQWPUSI-ZCFIWIBFSA-N -1 1 305.323 0.545 20 30 DCEDMM C[C@@H]1CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@H](C)S1 ZINC001590316382 1166861191 /nfs/dbraw/zinc/86/11/91/1166861191.db2.gz LHKLSFVTYMVPEQ-OCAPTIKFSA-N -1 1 302.367 0.859 20 30 DCEDMM C[C@@H]1N(c2cnc(-c3nnn[n-]3)c(C#N)n2)CCOC1(C)C ZINC001590331011 1166869112 /nfs/dbraw/zinc/86/91/12/1166869112.db2.gz IYRCAQJGQPMNNG-QMMMGPOBSA-N -1 1 300.326 0.532 20 30 DCEDMM C[C@@H]1N(c2cnc(-c3nn[n-]n3)c(C#N)n2)CCOC1(C)C ZINC001590331011 1166869115 /nfs/dbraw/zinc/86/91/15/1166869115.db2.gz IYRCAQJGQPMNNG-QMMMGPOBSA-N -1 1 300.326 0.532 20 30 DCEDMM CN(C)c1cccc(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)n1 ZINC001591035171 1167090283 /nfs/dbraw/zinc/09/02/83/1167090283.db2.gz XKPQDLUSNVIVEW-UHFFFAOYSA-N -1 1 310.325 0.026 20 30 DCEDMM COCCC1(C)CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001591400770 1167269374 /nfs/dbraw/zinc/26/93/74/1167269374.db2.gz SLXIRFYQUAGOSE-UHFFFAOYSA-N -1 1 300.326 0.391 20 30 DCEDMM COCCC1(C)CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001591400770 1167269382 /nfs/dbraw/zinc/26/93/82/1167269382.db2.gz SLXIRFYQUAGOSE-UHFFFAOYSA-N -1 1 300.326 0.391 20 30 DCEDMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1ccccc1C#N ZINC001591475297 1167306357 /nfs/dbraw/zinc/30/63/57/1167306357.db2.gz 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1167602735 /nfs/dbraw/zinc/60/27/35/1167602735.db2.gz BUSDJQZSQXMPAJ-UHFFFAOYSA-N -1 1 307.273 0.885 20 30 DCEDMM N#Cc1cc(COC(=O)c2cccc(-c3nn[n-]n3)n2)ccn1 ZINC001592688135 1167602738 /nfs/dbraw/zinc/60/27/38/1167602738.db2.gz BUSDJQZSQXMPAJ-UHFFFAOYSA-N -1 1 307.273 0.885 20 30 DCEDMM N#Cc1ccc(Cn2cnc(-c3nn[n-]n3)cc2=O)c(Cl)c1 ZINC001592693542 1167602896 /nfs/dbraw/zinc/60/28/96/1167602896.db2.gz KVIRQTLHXWQKMP-UHFFFAOYSA-N -1 1 313.708 0.997 20 30 DCEDMM N#Cc1cnc(NCCCNc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001592704228 1167604633 /nfs/dbraw/zinc/60/46/33/1167604633.db2.gz CRPQCMBGJGDDEO-UHFFFAOYSA-N -1 1 323.324 0.232 20 30 DCEDMM N#Cc1cnc(NCCCNc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001592704228 1167604639 /nfs/dbraw/zinc/60/46/39/1167604639.db2.gz CRPQCMBGJGDDEO-UHFFFAOYSA-N -1 1 323.324 0.232 20 30 DCEDMM N#Cc1nc(N2C[C@@H]3CCC[C@]3(CO)C2)cnc1-c1nnn[n-]1 ZINC001592706235 1167606412 /nfs/dbraw/zinc/60/64/12/1167606412.db2.gz BOIDFOVILCPMQU-LKFCYVNXSA-N -1 1 312.337 0.127 20 30 DCEDMM 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Cc1nnc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)n1C1CC1 ZINC001581611633 1165850920 /nfs/dbraw/zinc/85/09/20/1165850920.db2.gz ZDGONKQBOJVHPI-UHFFFAOYSA-N -1 1 323.324 0.375 20 30 DCEDMM Cc1nnc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)n1C1CC1 ZINC001581611633 1165850928 /nfs/dbraw/zinc/85/09/28/1165850928.db2.gz ZDGONKQBOJVHPI-UHFFFAOYSA-N -1 1 323.324 0.375 20 30 DCEDMM Cn1cc(CCCNc2cnc(C#N)c(-c3nn[n-]n3)n2)cn1 ZINC001581769650 1165872787 /nfs/dbraw/zinc/87/27/87/1165872787.db2.gz LIKCTGZPVXSLOT-UHFFFAOYSA-N -1 1 310.325 0.307 20 30 DCEDMM N#Cc1[n-]c(NC(=O)[C@@H]2CCc3cccnc32)nc1-c1nn[nH]n1 ZINC001581860022 1165891593 /nfs/dbraw/zinc/89/15/93/1165891593.db2.gz HEKQJHKXCCCDRA-MRVPVSSYSA-N -1 1 321.304 0.525 20 30 DCEDMM N#Cc1cc(Cl)cc(Cn2cnc(-c3nn[n-]n3)cc2=O)c1 ZINC001581866656 1165894697 /nfs/dbraw/zinc/89/46/97/1165894697.db2.gz OPNJQOXZXWXJGV-UHFFFAOYSA-N -1 1 313.708 0.997 20 30 DCEDMM N#Cc1ccc2c(c1)CN(c1cnc(-c3nnn[n-]3)c(C#N)n1)C2 ZINC001581874013 1165897291 /nfs/dbraw/zinc/89/72/91/1165897291.db2.gz AFFHLJNPZUPCJB-UHFFFAOYSA-N -1 1 315.300 0.920 20 30 DCEDMM N#Cc1ccc2c(c1)CN(c1cnc(-c3nn[n-]n3)c(C#N)n1)C2 ZINC001581874013 1165897296 /nfs/dbraw/zinc/89/72/96/1165897296.db2.gz AFFHLJNPZUPCJB-UHFFFAOYSA-N -1 1 315.300 0.920 20 30 DCEDMM N#Cc1nc(N[C@@H]2C[C@H]2C2CCOCC2)cnc1-c1nnn[n-]1 ZINC001581881278 1165902354 /nfs/dbraw/zinc/90/23/54/1165902354.db2.gz UBGKEMIGBNBOEV-VHSXEESVSA-N -1 1 312.337 0.755 20 30 DCEDMM N#Cc1nc(N[C@@H]2C[C@H]2C2CCOCC2)cnc1-c1nn[n-]n1 ZINC001581881278 1165902356 /nfs/dbraw/zinc/90/23/56/1165902356.db2.gz UBGKEMIGBNBOEV-VHSXEESVSA-N -1 1 312.337 0.755 20 30 DCEDMM N#Cc1nc(NCc2nccnc2Cl)cnc1-c1nnn[n-]1 ZINC001581881376 1165902930 /nfs/dbraw/zinc/90/29/30/1165902930.db2.gz YYQWMSODRDGGFO-UHFFFAOYSA-N -1 1 314.700 0.584 20 30 DCEDMM N#Cc1nc(NCc2nccnc2Cl)cnc1-c1nn[n-]n1 ZINC001581881376 1165902934 /nfs/dbraw/zinc/90/29/34/1165902934.db2.gz YYQWMSODRDGGFO-UHFFFAOYSA-N -1 1 314.700 0.584 20 30 DCEDMM N#Cc1ncc(NCC[C@@H](O)C(F)(F)F)nc1-c1nn[n-]n1 ZINC001581883994 1165904281 /nfs/dbraw/zinc/90/42/81/1165904281.db2.gz GEQCRPURPFLFEU-ZCFIWIBFSA-N -1 1 314.231 0.254 20 30 DCEDMM C#C[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588330583 1166526495 /nfs/dbraw/zinc/52/64/95/1166526495.db2.gz GIVVQWLETTVTDP-QMMMGPOBSA-N -1 1 318.724 0.389 20 30 DCEDMM C#CC[N@H+](Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)CC1CC1 ZINC001588350525 1166541111 /nfs/dbraw/zinc/54/11/11/1166541111.db2.gz BLFLVYSORJEZHQ-UHFFFAOYSA-N -1 1 324.348 0.460 20 30 DCEDMM C=C(C)C[N@H+](C)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001588425897 1166553988 /nfs/dbraw/zinc/55/39/88/1166553988.db2.gz ZMSBBGMACXKGED-UHFFFAOYSA-N -1 1 300.326 0.623 20 30 DCEDMM C=CC[C@H](CO)CNc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001588545277 1166560701 /nfs/dbraw/zinc/56/07/01/1166560701.db2.gz DKKURONVUQXNLV-VIFPVBQESA-N -1 1 318.337 0.645 20 30 DCEDMM C=CC[C@H](CO)CNc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001588545277 1166560706 /nfs/dbraw/zinc/56/07/06/1166560706.db2.gz DKKURONVUQXNLV-VIFPVBQESA-N -1 1 318.337 0.645 20 30 DCEDMM C=CCCC(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001588562352 1166562496 /nfs/dbraw/zinc/56/24/96/1166562496.db2.gz NCLDUWZBWOHMHJ-UHFFFAOYSA-N -1 1 316.369 0.518 20 30 DCEDMM C=CCCC(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001588562352 1166562502 /nfs/dbraw/zinc/56/25/02/1166562502.db2.gz NCLDUWZBWOHMHJ-UHFFFAOYSA-N -1 1 316.369 0.518 20 30 DCEDMM C=CC[C@@H]1CCCN(C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001588560671 1166562712 /nfs/dbraw/zinc/56/27/12/1166562712.db2.gz UBNNORWUBLLCRP-WDEREUQCSA-N -1 1 316.369 0.834 20 30 DCEDMM C=CCCO[C@@H](C)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001588610340 1166571042 /nfs/dbraw/zinc/57/10/42/1166571042.db2.gz BPXJKUIAADIDET-VIFPVBQESA-N -1 1 305.342 0.828 20 30 DCEDMM C=CCCO[C@@H](C)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001588610340 1166571046 /nfs/dbraw/zinc/57/10/46/1166571046.db2.gz BPXJKUIAADIDET-VIFPVBQESA-N -1 1 305.342 0.828 20 30 DCEDMM C=CCN1CC[C@@H](N(C)Cc2nc(-c3nnn[n-]3)cs2)C1=O ZINC001588655166 1166573204 /nfs/dbraw/zinc/57/32/04/1166573204.db2.gz XDAJAGLZYDDYLK-SNVBAGLBSA-N -1 1 319.394 0.542 20 30 DCEDMM C=CCN1CC[C@@H](N(C)Cc2nc(-c3nn[n-]n3)cs2)C1=O ZINC001588655166 1166573207 /nfs/dbraw/zinc/57/32/07/1166573207.db2.gz XDAJAGLZYDDYLK-SNVBAGLBSA-N -1 1 319.394 0.542 20 30 DCEDMM CC(C)(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589118966 1166635784 /nfs/dbraw/zinc/63/57/84/1166635784.db2.gz KVSVTQSWUNJXEX-QMMMGPOBSA-N -1 1 302.342 0.737 20 30 DCEDMM CC(C)(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589118966 1166635785 /nfs/dbraw/zinc/63/57/85/1166635785.db2.gz KVSVTQSWUNJXEX-QMMMGPOBSA-N -1 1 302.342 0.737 20 30 DCEDMM CC(C)CO[C@@H]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001589640688 1166670998 /nfs/dbraw/zinc/67/09/98/1166670998.db2.gz ULTWBPQQKFWXMM-SNVBAGLBSA-N -1 1 314.353 0.780 20 30 DCEDMM C[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)[C@@H]1CCCOC1 ZINC001589986989 1166739306 /nfs/dbraw/zinc/73/93/06/1166739306.db2.gz AUKVSWZGQGQZAB-DTWKUNHWSA-N -1 1 300.326 0.755 20 30 DCEDMM C[C@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)c2ncnn21 ZINC001590207872 1166815254 /nfs/dbraw/zinc/81/52/54/1166815254.db2.gz BHKWKSGRJMBDES-NKWVEPMBSA-N -1 1 309.297 0.238 20 30 DCEDMM CN(CC1(O)CCCC1)c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001591050076 1167095021 /nfs/dbraw/zinc/09/50/21/1167095021.db2.gz HDCKKMVUUHPTTQ-UHFFFAOYSA-N -1 1 300.326 0.270 20 30 DCEDMM CN(CC1(O)CCCC1)c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001591050076 1167095025 /nfs/dbraw/zinc/09/50/25/1167095025.db2.gz HDCKKMVUUHPTTQ-UHFFFAOYSA-N -1 1 300.326 0.270 20 30 DCEDMM CN(CC1(O)CCCC1)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001591051269 1167095151 /nfs/dbraw/zinc/09/51/51/1167095151.db2.gz YJKKEHYCLLTWQV-UHFFFAOYSA-N -1 1 300.326 0.270 20 30 DCEDMM COC1([C@H](C)Nc2cnc(-c3nnn[n-]3)c(C#N)n2)CCC1 ZINC001591337411 1167220800 /nfs/dbraw/zinc/22/08/00/1167220800.db2.gz FAYCYTNDFJJNKE-QMMMGPOBSA-N -1 1 300.326 0.898 20 30 DCEDMM COC1([C@H](C)Nc2cnc(-c3nn[n-]n3)c(C#N)n2)CCC1 ZINC001591337411 1167220807 /nfs/dbraw/zinc/22/08/07/1167220807.db2.gz 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0.889 20 30 DCEDMM N#Cc1ccc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001592693175 1167603153 /nfs/dbraw/zinc/60/31/53/1167603153.db2.gz IYFPCRXVCNIGFW-UHFFFAOYSA-N -1 1 306.289 0.458 20 30 DCEDMM N#Cc1ccc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001592693175 1167603157 /nfs/dbraw/zinc/60/31/57/1167603157.db2.gz IYFPCRXVCNIGFW-UHFFFAOYSA-N -1 1 306.289 0.458 20 30 DCEDMM N#Cc1nc(N2CCC[C@H]2[C@H]2CCCO2)cnc1-c1nnn[n-]1 ZINC001592705253 1167607698 /nfs/dbraw/zinc/60/76/98/1167607698.db2.gz YIKVKDPIBBBKAG-WDEREUQCSA-N -1 1 312.337 0.676 20 30 DCEDMM N#Cc1nc(N2CCC[C@H]2[C@H]2CCCO2)cnc1-c1nn[n-]n1 ZINC001592705253 1167607702 /nfs/dbraw/zinc/60/77/02/1167607702.db2.gz YIKVKDPIBBBKAG-WDEREUQCSA-N -1 1 312.337 0.676 20 30 DCEDMM N#Cc1ncc(NCC2(CO)CCCC2)nc1-c1nn[n-]n1 ZINC001592710844 1167609538 /nfs/dbraw/zinc/60/95/38/1167609538.db2.gz ZCJSSVRXEDIBNL-UHFFFAOYSA-N -1 1 300.326 0.493 20 30 DCEDMM COC[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)c1nn[n-]n1 ZINC001595888487 1167979215 /nfs/dbraw/zinc/97/92/15/1167979215.db2.gz GVWHPRNMSMNFEF-LLVKDONJSA-N -1 1 311.305 0.670 20 30 DCEDMM N#CC1(C[C@@H](O)CN2CCC[C@@H]2C(=O)NCC(=O)[O-])CCC1 ZINC001601054809 1168578172 /nfs/dbraw/zinc/57/81/72/1168578172.db2.gz SLPUBMFEOVTHRJ-VXGBXAGGSA-N -1 1 309.366 0.096 20 30 DCEDMM N#Cc1ccc(F)c(CNCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC001601102993 1168585550 /nfs/dbraw/zinc/58/55/50/1168585550.db2.gz WGYMERHFVXVZSO-RYUDHWBXSA-N -1 1 305.309 0.624 20 30 DCEDMM N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001601114810 1168587590 /nfs/dbraw/zinc/58/75/90/1168587590.db2.gz HJCTYYLXTONISZ-XJKSGUPXSA-N -1 1 317.320 0.770 20 30 DCEDMM C#C[C@H]1CCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001602697156 1169164821 /nfs/dbraw/zinc/16/48/21/1169164821.db2.gz SQRALHBYMXVALM-VIFPVBQESA-N -1 1 317.378 0.878 20 30 DCEDMM C#C[C@H]1CCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001602697156 1169164839 /nfs/dbraw/zinc/16/48/39/1169164839.db2.gz SQRALHBYMXVALM-VIFPVBQESA-N -1 1 317.378 0.878 20 30 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IKPLNFCIKILGJH-UHFFFAOYSA-N -1 1 322.288 0.789 20 30 DCEDMM COc1ncc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C#N ZINC001580138226 1165516065 /nfs/dbraw/zinc/51/60/65/1165516065.db2.gz IKPLNFCIKILGJH-UHFFFAOYSA-N -1 1 322.288 0.789 20 30 DCEDMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001580747488 1165708764 /nfs/dbraw/zinc/70/87/64/1165708764.db2.gz YSCHPKQAANFTHX-VXNVDRBHSA-N -1 1 315.341 0.041 20 30 DCEDMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)NC(=O)[C@H](C)C#N)n1 ZINC001580747488 1165708772 /nfs/dbraw/zinc/70/87/72/1165708772.db2.gz YSCHPKQAANFTHX-VXNVDRBHSA-N -1 1 315.341 0.041 20 30 DCEDMM Cc1nn(C)c(NC(=O)c2cc(C)c(C#N)cn2)c1-c1nnn[n-]1 ZINC001580885287 1165752245 /nfs/dbraw/zinc/75/22/45/1165752245.db2.gz OUWLTFGDDOXDMY-UHFFFAOYSA-N -1 1 323.320 0.736 20 30 DCEDMM Cc1nn(C)c(NC(=O)c2cc(C)c(C#N)cn2)c1-c1nn[n-]n1 ZINC001580885287 1165752247 /nfs/dbraw/zinc/75/22/47/1165752247.db2.gz OUWLTFGDDOXDMY-UHFFFAOYSA-N -1 1 323.320 0.736 20 30 DCEDMM N#Cc1nc(NC(=O)/C=C/[C@H]2CCCO2)[n-]c1-c1nn[nH]n1 ZINC001581860130 1165892626 /nfs/dbraw/zinc/89/26/26/1165892626.db2.gz LNNYGUDCOCFVKC-KGGZQZJCSA-N -1 1 300.282 0.135 20 30 DCEDMM N#Cc1[n-]c(NC(=O)C=C[C@H]2CCCO2)nc1-c1nn[nH]n1 ZINC001581860130 1165892630 /nfs/dbraw/zinc/89/26/30/1165892630.db2.gz LNNYGUDCOCFVKC-KGGZQZJCSA-N -1 1 300.282 0.135 20 30 DCEDMM N#Cc1ccc(C(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)cc1 ZINC001581870755 1165896383 /nfs/dbraw/zinc/89/63/83/1165896383.db2.gz QPPRXKGRRASCML-UHFFFAOYSA-N -1 1 306.285 0.783 20 30 DCEDMM N#Cc1ncc(N[C@@H]2CCC[C@H]3OCC[C@H]32)nc1-c1nn[n-]n1 ZINC001581883379 1165900740 /nfs/dbraw/zinc/90/07/40/1165900740.db2.gz XXRGBAWEQIHLDP-IQJOONFLSA-N -1 1 312.337 0.898 20 30 DCEDMM N#Cc1ncc(N2CCOc3ccccc3C2)nc1-c1nn[n-]n1 ZINC001581883291 1165902379 /nfs/dbraw/zinc/90/23/79/1165902379.db2.gz VAVQIYKDHCLKRK-UHFFFAOYSA-N -1 1 320.316 0.927 20 30 DCEDMM C=C[C@](C)(O)CC(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001585377786 1166427079 /nfs/dbraw/zinc/42/70/79/1166427079.db2.gz UHPGYAWUQUQTSG-INIZCTEOSA-N -1 1 319.361 0.397 20 30 DCEDMM C#CCCCNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001588345404 1166533877 /nfs/dbraw/zinc/53/38/77/1166533877.db2.gz DZBBKCPTJPMWME-UHFFFAOYSA-N -1 1 301.310 0.805 20 30 DCEDMM C=CCCC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001588562390 1166562305 /nfs/dbraw/zinc/56/23/05/1166562305.db2.gz OHNOBZIMPDPPBN-UHFFFAOYSA-N -1 1 302.342 0.493 20 30 DCEDMM C=CCCC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001588562390 1166562308 /nfs/dbraw/zinc/56/23/08/1166562308.db2.gz OHNOBZIMPDPPBN-UHFFFAOYSA-N -1 1 302.342 0.493 20 30 DCEDMM C=CCCC(=O)NC[C@@H](CC)Nc1nccnc1-c1nnn[n-]1 ZINC001588570234 1166563607 /nfs/dbraw/zinc/56/36/07/1166563607.db2.gz KMTRJNHOHDRXKX-SNVBAGLBSA-N -1 1 316.369 0.930 20 30 DCEDMM C=CCCC(=O)NC[C@@H](CC)Nc1nccnc1-c1nn[n-]n1 ZINC001588570234 1166563613 /nfs/dbraw/zinc/56/36/13/1166563613.db2.gz KMTRJNHOHDRXKX-SNVBAGLBSA-N -1 1 316.369 0.930 20 30 DCEDMM C=CCNC(=O)Cc1noc(-c2ccc(-c3nnn[n-]3)s2)n1 ZINC001588658499 1166577012 /nfs/dbraw/zinc/57/70/12/1166577012.db2.gz NGELOAWRXXNRTI-UHFFFAOYSA-N -1 1 317.334 0.823 20 30 DCEDMM C=CCNC(=O)Cc1noc(-c2ccc(-c3nn[n-]n3)s2)n1 ZINC001588658499 1166577022 /nfs/dbraw/zinc/57/70/22/1166577022.db2.gz NGELOAWRXXNRTI-UHFFFAOYSA-N -1 1 317.334 0.823 20 30 DCEDMM C[C@@H](C#N)CN(C)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1C ZINC001588930803 1166619978 /nfs/dbraw/zinc/61/99/78/1166619978.db2.gz LFSUQGYTBGLXMI-QMMMGPOBSA-N -1 1 313.325 0.851 20 30 DCEDMM C[C@@H](C#N)CN(C)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1C ZINC001588930803 1166619981 /nfs/dbraw/zinc/61/99/81/1166619981.db2.gz LFSUQGYTBGLXMI-QMMMGPOBSA-N -1 1 313.325 0.851 20 30 DCEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588965784 1166623431 /nfs/dbraw/zinc/62/34/31/1166623431.db2.gz LDRSHCULEYRSCR-PELKAZGASA-N -1 1 303.330 0.074 20 30 DCEDMM CC(C)CO[C@@H]1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001589641046 1166670775 /nfs/dbraw/zinc/67/07/75/1166670775.db2.gz XVWDCQAYDZLAKN-SNVBAGLBSA-N -1 1 314.353 0.780 20 30 DCEDMM CC(C)CO[C@@H]1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001589641046 1166670780 /nfs/dbraw/zinc/67/07/80/1166670780.db2.gz XVWDCQAYDZLAKN-SNVBAGLBSA-N -1 1 314.353 0.780 20 30 DCEDMM CC(C)n1ccnc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001589783401 1166686445 /nfs/dbraw/zinc/68/64/45/1166686445.db2.gz OCDCRBCFKYDTDI-UHFFFAOYSA-N -1 1 312.297 0.491 20 30 DCEDMM C[C@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)c1csnn1 ZINC001589986817 1166739279 /nfs/dbraw/zinc/73/92/79/1166739279.db2.gz UNVOJCOWTQVXSD-YFKPBYRVSA-N -1 1 300.311 0.553 20 30 DCEDMM C[C@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)c1csnn1 ZINC001589986817 1166739286 /nfs/dbraw/zinc/73/92/86/1166739286.db2.gz UNVOJCOWTQVXSD-YFKPBYRVSA-N -1 1 300.311 0.553 20 30 DCEDMM C[C@]1(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)CCCOC1 ZINC001590070679 1166762821 /nfs/dbraw/zinc/76/28/21/1166762821.db2.gz IFEPFGIKSCWZSA-LBPRGKRZSA-N -1 1 302.298 0.217 20 30 DCEDMM C[C@]1(O)CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001590151194 1166790129 /nfs/dbraw/zinc/79/01/29/1166790129.db2.gz VYEWYZYOKYYUCB-ZDUSSCGKSA-N -1 1 300.326 0.270 20 30 DCEDMM C[C@]1(O)CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001590151194 1166790136 /nfs/dbraw/zinc/79/01/36/1166790136.db2.gz VYEWYZYOKYYUCB-ZDUSSCGKSA-N -1 1 300.326 0.270 20 30 DCEDMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H](C)N1CC#N ZINC001590297276 1166845475 /nfs/dbraw/zinc/84/54/75/1166845475.db2.gz CIBUGDUAINXVIV-UWVGGRQHSA-N -1 1 315.337 0.518 20 30 DCEDMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H](C)N1CC#N ZINC001590297276 1166845481 /nfs/dbraw/zinc/84/54/81/1166845481.db2.gz CIBUGDUAINXVIV-UWVGGRQHSA-N -1 1 315.337 0.518 20 30 DCEDMM CC[C@@H](C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1)[NH+](CC)CC ZINC001590370634 1166892249 /nfs/dbraw/zinc/89/22/49/1166892249.db2.gz ISBYPXTZASNFNN-VIFPVBQESA-N -1 1 317.357 0.520 20 30 DCEDMM CC[C@@H]1CO[C@H](C)CN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590523796 1166932884 /nfs/dbraw/zinc/93/28/84/1166932884.db2.gz LZYFLJBELVZSTI-RKDXNWHRSA-N -1 1 300.326 0.532 20 30 DCEDMM CC[C@@H]1CO[C@H](C)CN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590523796 1166932886 /nfs/dbraw/zinc/93/28/86/1166932886.db2.gz LZYFLJBELVZSTI-RKDXNWHRSA-N -1 1 300.326 0.532 20 30 DCEDMM CC[C@H]1CO[C@@H](C)CN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590522776 1166933647 /nfs/dbraw/zinc/93/36/47/1166933647.db2.gz HGCNMHZSUJJIHT-IUCAKERBSA-N -1 1 300.326 0.532 20 30 DCEDMM CCCCCCNC(=O)Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001590595139 1166946341 /nfs/dbraw/zinc/94/63/41/1166946341.db2.gz UNZKLBPMVJTIDL-UHFFFAOYSA-N -1 1 316.369 0.940 20 30 DCEDMM CCOC(OCC)[C@@H](C)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590785440 1167019117 /nfs/dbraw/zinc/01/91/17/1167019117.db2.gz ODRMIBZLSAIYQL-MRVPVSSYSA-N -1 1 318.341 0.728 20 30 DCEDMM CCOC(OCC)[C@@H](C)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590785440 1167019126 /nfs/dbraw/zinc/01/91/26/1167019126.db2.gz ODRMIBZLSAIYQL-MRVPVSSYSA-N -1 1 318.341 0.728 20 30 DCEDMM CN(C)C[C@@](C)(C#N)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591012564 1167079133 /nfs/dbraw/zinc/07/91/33/1167079133.db2.gz VWPVBFWFVBXLBR-GFCCVEGCSA-N -1 1 305.367 0.502 20 30 DCEDMM COc1cccc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1 ZINC001591638543 1167342004 /nfs/dbraw/zinc/34/20/04/1167342004.db2.gz VDKDCPCFZAFSRR-UHFFFAOYSA-N -1 1 310.277 0.722 20 30 DCEDMM Cc1cc(C)n(N=C[C@@H]2CCCOC2)c(=O)c1-c1nn[n-]n1 ZINC001591955956 1167425359 /nfs/dbraw/zinc/42/53/59/1167425359.db2.gz PEBAOHRZNSYFJM-NSHDSACASA-N -1 1 302.338 0.906 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1nccn1C(F)F ZINC001592336340 1167493443 /nfs/dbraw/zinc/49/34/43/1167493443.db2.gz YFWZEOMRMCHPMW-UHFFFAOYSA-N -1 1 305.252 0.883 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1Cc1ncc(Cl)n1C ZINC001592336115 1167493641 /nfs/dbraw/zinc/49/36/41/1167493641.db2.gz REDYTKVKKQSPKD-UHFFFAOYSA-N -1 1 303.717 0.679 20 30 DCEDMM N#CCCCC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001592674782 1167597353 /nfs/dbraw/zinc/59/73/53/1167597353.db2.gz KSUKLMWIFKBBRY-UHFFFAOYSA-N -1 1 313.321 0.967 20 30 DCEDMM N#Cc1[n-]c(NC(=O)c2cnn(C(F)F)c2)nc1-c1nn[nH]n1 ZINC001592681845 1167600406 /nfs/dbraw/zinc/60/04/06/1167600406.db2.gz LCFGEDVERAPXMD-UHFFFAOYSA-N -1 1 320.223 0.305 20 30 DCEDMM N#Cc1cc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)ccn1 ZINC001592688150 1167601490 /nfs/dbraw/zinc/60/14/90/1167601490.db2.gz CUZMWPMNSTYGBG-UHFFFAOYSA-N -1 1 319.328 0.832 20 30 DCEDMM N#Cc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccn1 ZINC001592690213 1167602396 /nfs/dbraw/zinc/60/23/96/1167602396.db2.gz RHIIXCBEGNOVHG-UHFFFAOYSA-N -1 1 310.325 0.483 20 30 DCEDMM N#Cc1ccc(OCCn2cc(-c3nn[n-]n3)ccc2=O)cc1 ZINC001592695981 1167602495 /nfs/dbraw/zinc/60/24/95/1167602495.db2.gz WLVSQROBQIRJQY-UHFFFAOYSA-N -1 1 308.301 0.979 20 30 DCEDMM Cc1cc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c(C#N)cn1 ZINC001600241125 1168144426 /nfs/dbraw/zinc/14/44/26/1168144426.db2.gz RMJZWXLMTGCFPR-INIZCTEOSA-N -1 1 316.361 0.627 20 30 DCEDMM Cc1ncc([N+](=O)[O-])n1CCN1CCC(C#N)(C(=O)[O-])CC1 ZINC001600748325 1168274545 /nfs/dbraw/zinc/27/45/45/1168274545.db2.gz LLNZWKNINMTBNN-UHFFFAOYSA-N -1 1 307.310 0.790 20 30 DCEDMM N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001601063065 1168579575 /nfs/dbraw/zinc/57/95/75/1168579575.db2.gz NDASTPIUUHRABE-ZWNOBZJWSA-N -1 1 318.333 0.773 20 30 DCEDMM N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001601063424 1168579896 /nfs/dbraw/zinc/57/98/96/1168579896.db2.gz RJCHKCOBGJMCDZ-AAEUAGOBSA-N -1 1 302.334 0.937 20 30 DCEDMM N#CCc1ccccc1CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001601078505 1168582810 /nfs/dbraw/zinc/58/28/10/1168582810.db2.gz NRFBIRSKLIDTQJ-CQSZACIVSA-N -1 1 312.329 0.830 20 30 DCEDMM N#Cc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])ccc1F ZINC001601086255 1168583670 /nfs/dbraw/zinc/58/36/70/1168583670.db2.gz GEMVKROXORLUTA-LBPRGKRZSA-N -1 1 302.265 0.846 20 30 DCEDMM N#Cc1cccc(NC(=O)CN[C@]2(CC(=O)[O-])CCOC2)c1 ZINC001601120774 1168587815 /nfs/dbraw/zinc/58/78/15/1168587815.db2.gz LOMVGEFZQPPQLZ-HNNXBMFYSA-N -1 1 303.318 0.720 20 30 DCEDMM C#C[C@H](N[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CCCO1 ZINC001602679138 1169157460 /nfs/dbraw/zinc/15/74/60/1169157460.db2.gz USDKDAFOSITKCG-UBHSHLNASA-N -1 1 308.378 0.469 20 30 DCEDMM C#C[C@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)C(C)C ZINC001602688397 1169161045 /nfs/dbraw/zinc/16/10/45/1169161045.db2.gz JFMVRXNOBYRVOJ-QMMMGPOBSA-N -1 1 305.367 0.780 20 30 DCEDMM C#C[C@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)C(C)C ZINC001602688397 1169161049 /nfs/dbraw/zinc/16/10/49/1169161049.db2.gz JFMVRXNOBYRVOJ-QMMMGPOBSA-N -1 1 305.367 0.780 20 30 DCEDMM C#CCC(C)(C)COC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001602696886 1169162316 /nfs/dbraw/zinc/16/23/16/1169162316.db2.gz OWAKIYIQYLHZIW-SECBINFHSA-N -1 1 303.326 0.612 20 30 DCEDMM C#CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC001602693311 1169162347 /nfs/dbraw/zinc/16/23/47/1169162347.db2.gz PEFXPKQWEZNWQE-JTQLQIEISA-N -1 1 302.246 0.677 20 30 DCEDMM C=C(C)CCn1c(=O)c(-c2nn[n-]n2)c(C)n(C2CC2)c1=O ZINC001602758734 1169178825 /nfs/dbraw/zinc/17/88/25/1169178825.db2.gz QDHITCKJHPQWPC-UHFFFAOYSA-N -1 1 302.338 0.800 20 30 DCEDMM C=C(C)C[C@H](NS(=O)(=O)c1occc1C(=O)OC)C(=O)[O-] ZINC001602757731 1169179428 /nfs/dbraw/zinc/17/94/28/1169179428.db2.gz UWZTZZZYWNSUOK-VIFPVBQESA-N -1 1 317.319 0.764 20 30 DCEDMM C=CCNC(=O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001602863802 1169196136 /nfs/dbraw/zinc/19/61/36/1169196136.db2.gz PUGORAXKZHXNFQ-UHFFFAOYSA-N -1 1 303.282 0.489 20 30 DCEDMM C=CCN1CC[C@H]([N@@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)C1=O ZINC001602898769 1169200858 /nfs/dbraw/zinc/20/08/58/1169200858.db2.gz XUVQHBPSFOWKHR-SLMGRZLQSA-N -1 1 322.361 0.271 20 30 DCEDMM CC(C)[C@@](C)(C#N)NC(=O)CN1CCSC[C@@H](C(=O)[O-])C1 ZINC001603714353 1169370186 /nfs/dbraw/zinc/37/01/86/1169370186.db2.gz NVKWMISDPOGNDK-SMDDNHRTSA-N -1 1 313.423 0.790 20 30 DCEDMM C[C@]1(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CCCCO1 ZINC001603807138 1169397558 /nfs/dbraw/zinc/39/75/58/1169397558.db2.gz IKIPSUASLGCZJQ-CYBMUJFWSA-N -1 1 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N#CCCc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001581857529 1165889206 /nfs/dbraw/zinc/88/92/06/1165889206.db2.gz BSGSRZDDEVIFSR-UHFFFAOYSA-N -1 1 323.320 0.553 20 30 DCEDMM N#CCc1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001581859618 1165891395 /nfs/dbraw/zinc/89/13/95/1165891395.db2.gz MPAPDEKKTIRJQN-UHFFFAOYSA-N -1 1 320.316 0.904 20 30 DCEDMM N#CCc1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001581859618 1165891398 /nfs/dbraw/zinc/89/13/98/1165891398.db2.gz MPAPDEKKTIRJQN-UHFFFAOYSA-N -1 1 320.316 0.904 20 30 DCEDMM N#Cc1nc(NCC[C@H](O)C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001581880531 1165898415 /nfs/dbraw/zinc/89/84/15/1165898415.db2.gz NIJYXAXTHBNHEW-LURJTMIESA-N -1 1 314.231 0.254 20 30 DCEDMM N#Cc1nc(NCC[C@H](O)C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001581880531 1165898419 /nfs/dbraw/zinc/89/84/19/1165898419.db2.gz NIJYXAXTHBNHEW-LURJTMIESA-N -1 1 314.231 0.254 20 30 DCEDMM N#Cc1nc(Sc2cccc(C(N)=O)c2)cnc1-c1nn[n-]n1 ZINC001581880941 1165899754 /nfs/dbraw/zinc/89/97/54/1165899754.db2.gz ANCIYWQZCLNCPS-UHFFFAOYSA-N -1 1 324.329 0.778 20 30 DCEDMM N#Cc1ncc(N2CCC(c3cn[nH]c3)CC2)nc1-c1nn[n-]n1 ZINC001581882200 1165901573 /nfs/dbraw/zinc/90/15/73/1165901573.db2.gz PEGIJZQHNUBNGV-UHFFFAOYSA-N -1 1 322.336 0.635 20 30 DCEDMM N#Cc1ncc(N[C@@H]2CCCC23OCCO3)nc1-c1nn[n-]n1 ZINC001581882870 1165901793 /nfs/dbraw/zinc/90/17/93/1165901793.db2.gz KEZDHVFBEOIVBF-SECBINFHSA-N -1 1 314.309 0.236 20 30 DCEDMM N#Cc1ncc(N2CCCCC[C@H]2CCO)nc1-c1nn[n-]n1 ZINC001581881857 1165902559 /nfs/dbraw/zinc/90/25/59/1165902559.db2.gz CQXPYVGJUQCDIQ-JTQLQIEISA-N -1 1 314.353 0.660 20 30 DCEDMM N#Cc1ncc(N2CCC[C@@H](CCO)CC2)nc1-c1nn[n-]n1 ZINC001581882078 1165902844 /nfs/dbraw/zinc/90/28/44/1165902844.db2.gz KOLLFDSZUMXXJU-SNVBAGLBSA-N -1 1 314.353 0.517 20 30 DCEDMM N#Cc1ncc(NCc2nccn2C(F)F)nc1-c1nn[n-]n1 ZINC001581884032 1165903869 /nfs/dbraw/zinc/90/38/69/1165903869.db2.gz HUWMQHSYDLKFPL-UHFFFAOYSA-N -1 1 318.251 0.732 20 30 DCEDMM C#CC1(O)CCN(C(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001588333283 1166529690 /nfs/dbraw/zinc/52/96/90/1166529690.db2.gz KBXMTRQEUAGXPN-UHFFFAOYSA-N -1 1 303.347 0.529 20 30 DCEDMM C#CC1(O)CCN(C(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001588333283 1166529696 /nfs/dbraw/zinc/52/96/96/1166529696.db2.gz KBXMTRQEUAGXPN-UHFFFAOYSA-N -1 1 303.347 0.529 20 30 DCEDMM C#CC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001588337483 1166534079 /nfs/dbraw/zinc/53/40/79/1166534079.db2.gz QNYNKXQXFBSXGP-VIFPVBQESA-N -1 1 307.335 0.494 20 30 DCEDMM C#CCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC001588354416 1166547687 /nfs/dbraw/zinc/54/76/87/1166547687.db2.gz MKULSHFBTKETRY-UHFFFAOYSA-N -1 1 324.348 0.208 20 30 DCEDMM C#CCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC001588354416 1166547693 /nfs/dbraw/zinc/54/76/93/1166547693.db2.gz MKULSHFBTKETRY-UHFFFAOYSA-N -1 1 324.348 0.208 20 30 DCEDMM C#Cc1cccc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001588375011 1166549344 /nfs/dbraw/zinc/54/93/44/1166549344.db2.gz AMIAAMOJAKUSNB-SECBINFHSA-N -1 1 308.305 0.639 20 30 DCEDMM C#Cc1cncc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001588376779 1166549371 /nfs/dbraw/zinc/54/93/71/1166549371.db2.gz KTESMPYCPVSTOU-UHFFFAOYSA-N -1 1 305.301 0.915 20 30 DCEDMM C=C(C)CN(CC)C(=O)Cn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001588426501 1166554539 /nfs/dbraw/zinc/55/45/39/1166554539.db2.gz XFJRMIMFGHGWDR-UHFFFAOYSA-N -1 1 314.353 0.668 20 30 DCEDMM C=CC(C)(C)CC(=O)NCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001588483435 1166557089 /nfs/dbraw/zinc/55/70/89/1166557089.db2.gz KAINJKVYKKJRBO-UHFFFAOYSA-N -1 1 316.369 0.787 20 30 DCEDMM C=CC(C)(C)CC(=O)NCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001588483435 1166557099 /nfs/dbraw/zinc/55/70/99/1166557099.db2.gz KAINJKVYKKJRBO-UHFFFAOYSA-N -1 1 316.369 0.787 20 30 DCEDMM C=C[C@](C)(CCOC)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001588500235 1166558039 /nfs/dbraw/zinc/55/80/39/1166558039.db2.gz TVLPSIPDWJBDSN-CYBMUJFWSA-N -1 1 316.325 0.629 20 30 DCEDMM C=CCCC(=O)N(C)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001588562411 1166562411 /nfs/dbraw/zinc/56/24/11/1166562411.db2.gz PADCPHNNYAZGQQ-UHFFFAOYSA-N -1 1 316.369 0.883 20 30 DCEDMM C=CCCC(=O)N(C)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001588562411 1166562417 /nfs/dbraw/zinc/56/24/17/1166562417.db2.gz PADCPHNNYAZGQQ-UHFFFAOYSA-N -1 1 316.369 0.883 20 30 DCEDMM C=CCCC(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001588571983 1166565325 /nfs/dbraw/zinc/56/53/25/1166565325.db2.gz VGCRVDKOCABUHV-NXEZZACHSA-N -1 1 316.369 0.928 20 30 DCEDMM C=CCCC(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001588571983 1166565329 /nfs/dbraw/zinc/56/53/29/1166565329.db2.gz VGCRVDKOCABUHV-NXEZZACHSA-N -1 1 316.369 0.928 20 30 DCEDMM C=CCCC(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001588571964 1166565861 /nfs/dbraw/zinc/56/58/61/1166565861.db2.gz USMJXBFQBWMGQC-NXEZZACHSA-N -1 1 316.369 0.928 20 30 DCEDMM C=CCCC(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588571964 1166565865 /nfs/dbraw/zinc/56/58/65/1166565865.db2.gz USMJXBFQBWMGQC-NXEZZACHSA-N -1 1 316.369 0.928 20 30 DCEDMM C=CCN(CCC#N)Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC001588632187 1166574923 /nfs/dbraw/zinc/57/49/23/1166574923.db2.gz MFWUAAFDYIBNTH-UHFFFAOYSA-N -1 1 309.337 0.811 20 30 DCEDMM C=CCN(CCC#N)Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC001588632187 1166574928 /nfs/dbraw/zinc/57/49/28/1166574928.db2.gz MFWUAAFDYIBNTH-UHFFFAOYSA-N -1 1 309.337 0.811 20 30 DCEDMM C=C[C@H](CO)[NH2+][C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC001588727614 1166580643 /nfs/dbraw/zinc/58/06/43/1166580643.db2.gz FCLKWGVTAMFNHV-PSASIEDQSA-N -1 1 320.378 0.170 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588728080 1166580664 /nfs/dbraw/zinc/58/06/64/1166580664.db2.gz MMEJDMWPXFRJQR-SCZZXKLOSA-N -1 1 320.740 0.988 20 30 DCEDMM CC(C)[C@H](C#N)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001589412443 1166657413 /nfs/dbraw/zinc/65/74/13/1166657413.db2.gz GQHUUANGKVXYJO-LBPRGKRZSA-N -1 1 313.369 0.327 20 30 DCEDMM CC(C)[C@H](C#N)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001589412443 1166657415 /nfs/dbraw/zinc/65/74/15/1166657415.db2.gz GQHUUANGKVXYJO-LBPRGKRZSA-N -1 1 313.369 0.327 20 30 DCEDMM C[C@@H](CC#N)N(C)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001589787327 1166687491 /nfs/dbraw/zinc/68/74/91/1166687491.db2.gz JPMOLABCGJSKAY-QMMMGPOBSA-N -1 1 307.339 0.184 20 30 DCEDMM C[C@H](C(=O)O[C@@H](C)CC(C)(C)C#N)n1cnc(-c2nn[n-]n2)n1 ZINC001589795082 1166688124 /nfs/dbraw/zinc/68/81/24/1166688124.db2.gz JHRUVSINAYJSSO-DTWKUNHWSA-N -1 1 318.341 0.891 20 30 DCEDMM C[C@H](C[C@H]1CCOC1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589803610 1166690559 /nfs/dbraw/zinc/69/05/59/1166690559.db2.gz UCLPROCEGPAVQH-RKDXNWHRSA-N -1 1 300.326 0.755 20 30 DCEDMM C[C@H](C[C@H]1CCOC1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589803610 1166690563 /nfs/dbraw/zinc/69/05/63/1166690563.db2.gz UCLPROCEGPAVQH-RKDXNWHRSA-N -1 1 300.326 0.755 20 30 DCEDMM C[C@@H](COCC1CC1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589885245 1166709619 /nfs/dbraw/zinc/70/96/19/1166709619.db2.gz MVNPRIRHCUPNJO-QMMMGPOBSA-N -1 1 300.326 0.755 20 30 DCEDMM C[C@@H](COCC1CC1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589885245 1166709624 /nfs/dbraw/zinc/70/96/24/1166709624.db2.gz MVNPRIRHCUPNJO-QMMMGPOBSA-N -1 1 300.326 0.755 20 30 DCEDMM C[C@@H]1COCC[C@@H]1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001590325924 1166868503 /nfs/dbraw/zinc/86/85/03/1166868503.db2.gz VNEGJVWSBZVAHS-RQJHMYQMSA-N -1 1 302.298 0.073 20 30 DCEDMM CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590420433 1166903901 /nfs/dbraw/zinc/90/39/01/1166903901.db2.gz YHCVHRSAFUPIEE-MRVPVSSYSA-N -1 1 314.309 0.009 20 30 DCEDMM CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590420433 1166903905 /nfs/dbraw/zinc/90/39/05/1166903905.db2.gz YHCVHRSAFUPIEE-MRVPVSSYSA-N -1 1 314.309 0.009 20 30 DCEDMM CC[C@@H](Nc1cnc(-c2nnn[n-]2)c(C#N)n1)[C@@H](O)C(C)C ZINC001590472815 1166918535 /nfs/dbraw/zinc/91/85/35/1166918535.db2.gz HRVRFUDENIHUKQ-PELKAZGASA-N -1 1 302.342 0.736 20 30 DCEDMM CC[C@@H](Nc1cnc(-c2nn[n-]n2)c(C#N)n1)[C@@H](O)C(C)C ZINC001590472815 1166918537 /nfs/dbraw/zinc/91/85/37/1166918537.db2.gz HRVRFUDENIHUKQ-PELKAZGASA-N -1 1 302.342 0.736 20 30 DCEDMM CCC[C@@H](C)[C@@H](CO)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590548210 1166941415 /nfs/dbraw/zinc/94/14/15/1166941415.db2.gz PGXGZQSSULBRMN-PSASIEDQSA-N -1 1 302.342 0.737 20 30 DCEDMM CCc1nn(CCOCCC#N)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929787 1167054056 /nfs/dbraw/zinc/05/40/56/1167054056.db2.gz VKJPJCGTVPHBPG-UHFFFAOYSA-N -1 1 317.353 0.478 20 30 DCEDMM CN(Cn1cccc(-c2nn[n-]n2)c1=O)c1ccc(C#N)cc1 ZINC001591154015 1167118416 /nfs/dbraw/zinc/11/84/16/1167118416.db2.gz BKPIUTAORORQDP-UHFFFAOYSA-N -1 1 307.317 0.994 20 30 DCEDMM COC(=O)c1cncc(Cn2cnc(-c3nn[n-]n3)c2C#N)c1 ZINC001591305546 1167205887 /nfs/dbraw/zinc/20/58/87/1167205887.db2.gz NJHSNIUKUYZBRS-UHFFFAOYSA-N -1 1 310.277 0.165 20 30 DCEDMM COCc1nc(Cn2cnc(C#N)c2-c2nn[n-]n2)cs1 ZINC001591459084 1167294757 /nfs/dbraw/zinc/29/47/57/1167294757.db2.gz DFURDFXVNXTJNV-UHFFFAOYSA-N -1 1 302.323 0.586 20 30 DCEDMM COc1ccccc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001591646944 1167341819 /nfs/dbraw/zinc/34/18/19/1167341819.db2.gz OXCIPGFJMKGQAD-UHFFFAOYSA-N -1 1 310.277 0.722 20 30 DCEDMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cccc(C#N)n2)nn1C ZINC001591797949 1167384521 /nfs/dbraw/zinc/38/45/21/1167384521.db2.gz UQFMMOAWDFQMDF-UHFFFAOYSA-N -1 1 309.293 0.428 20 30 DCEDMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cccc(C#N)n2)nn1C ZINC001591797949 1167384527 /nfs/dbraw/zinc/38/45/27/1167384527.db2.gz UQFMMOAWDFQMDF-UHFFFAOYSA-N -1 1 309.293 0.428 20 30 DCEDMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NC[C@@H](C)C#N ZINC001591990425 1167431122 /nfs/dbraw/zinc/43/11/22/1167431122.db2.gz ORTWZLLMUWELKB-ZETCQYMHSA-N -1 1 324.341 0.752 20 30 DCEDMM Cc1cc(NC(=O)Cn2c(C)nc(-c3nn[n-]n3)c2C#N)no1 ZINC001592019656 1167437023 /nfs/dbraw/zinc/43/70/23/1167437023.db2.gz MCDOXBZQHXTLRX-UHFFFAOYSA-N -1 1 313.281 0.178 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(C#N)n1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001592335522 1167493477 /nfs/dbraw/zinc/49/34/77/1167493477.db2.gz RWOQVSKIFOCEDK-YWVKMMECSA-N -1 1 301.310 0.047 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(C)nn(C)c2C)o1 ZINC001592338906 1167493928 /nfs/dbraw/zinc/49/39/28/1167493928.db2.gz SAQGKQMNNCIVBT-UHFFFAOYSA-N -1 1 301.314 0.959 20 30 DCEDMM N#CC[C@]1(O)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001592673837 1167596676 /nfs/dbraw/zinc/59/66/76/1167596676.db2.gz PXGHXOPUUJELFZ-LBPRGKRZSA-N -1 1 316.281 0.025 20 30 DCEDMM N#CC[C@]1(O)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001592673837 1167596683 /nfs/dbraw/zinc/59/66/83/1167596683.db2.gz PXGHXOPUUJELFZ-LBPRGKRZSA-N -1 1 316.281 0.025 20 30 DCEDMM N#CCC1(CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)CC1 ZINC001592674194 1167596788 /nfs/dbraw/zinc/59/67/88/1167596788.db2.gz AFEXGBDPFAQKGE-UHFFFAOYSA-N -1 1 319.350 0.234 20 30 DCEDMM N#CCN1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001592677898 1167598763 /nfs/dbraw/zinc/59/87/63/1167598763.db2.gz LFSHCFPROVWMGL-UHFFFAOYSA-N -1 1 303.351 0.210 20 30 DCEDMM N#CCc1cccc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC001592679842 1167599113 /nfs/dbraw/zinc/59/91/13/1167599113.db2.gz DOAZHXJJRODIPR-UHFFFAOYSA-N -1 1 324.352 0.678 20 30 DCEDMM N#CCc1cccc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC001592679842 1167599119 /nfs/dbraw/zinc/59/91/19/1167599119.db2.gz DOAZHXJJRODIPR-UHFFFAOYSA-N -1 1 324.352 0.678 20 30 DCEDMM N#Cc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001592690682 1167602357 /nfs/dbraw/zinc/60/23/57/1167602357.db2.gz RNBNFUDGESETGC-UHFFFAOYSA-N -1 1 312.318 0.520 20 30 DCEDMM N#Cc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001592690682 1167602363 /nfs/dbraw/zinc/60/23/63/1167602363.db2.gz RNBNFUDGESETGC-UHFFFAOYSA-N -1 1 312.318 0.520 20 30 DCEDMM N#Cc1ncc(N2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1nn[n-]n1 ZINC001592708381 1167606281 /nfs/dbraw/zinc/60/62/81/1167606281.db2.gz NLXPXDBFDGDPIQ-NXEZZACHSA-N -1 1 312.337 0.391 20 30 DCEDMM N#Cc1ncc(N2CCC(C3(O)CC3)CC2)nc1-c1nn[n-]n1 ZINC001592708395 1167606550 /nfs/dbraw/zinc/60/65/50/1167606550.db2.gz OLDQNVUSXVYHJT-UHFFFAOYSA-N -1 1 312.337 0.270 20 30 DCEDMM N#Cc1nc(NCc2cccc(CO)c2)cnc1-c1nnn[n-]1 ZINC001592707634 1167606711 /nfs/dbraw/zinc/60/67/11/1167606711.db2.gz RCYXMBUMTTVWQR-UHFFFAOYSA-N -1 1 308.305 0.633 20 30 DCEDMM N#Cc1nc(NCc2cccc(CO)c2)cnc1-c1nn[n-]n1 ZINC001592707634 1167606716 /nfs/dbraw/zinc/60/67/16/1167606716.db2.gz RCYXMBUMTTVWQR-UHFFFAOYSA-N -1 1 308.305 0.633 20 30 DCEDMM N#Cc1ncc(N[C@@H](CO)c2cccnc2)nc1-c1nn[n-]n1 ZINC001592710377 1167610392 /nfs/dbraw/zinc/61/03/92/1167610392.db2.gz NGSMDXUPHUFTMN-JTQLQIEISA-N -1 1 309.293 0.069 20 30 DCEDMM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CC#Cc3ccccc3)C[C@H]21 ZINC001601779819 1168885658 /nfs/dbraw/zinc/88/56/58/1168885658.db2.gz ITOMOQGLDGBGLG-DMRKSPOLSA-N -1 1 324.380 0.805 20 30 DCEDMM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001601783172 1168893625 /nfs/dbraw/zinc/89/36/25/1168893625.db2.gz SYYAGSFHVZTSKR-KBPBESRZSA-N -1 1 304.321 0.604 20 30 DCEDMM O=C([O-])CCN1CCC(=NN[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001602010640 1168961290 /nfs/dbraw/zinc/96/12/90/1168961290.db2.gz YERWJWGAFDSKET-LBPRGKRZSA-N -1 1 317.411 0.080 20 30 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DCEDMM C#CCCCS(=O)(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001588345481 1166536301 /nfs/dbraw/zinc/53/63/01/1166536301.db2.gz IKACBUFEPMSCDF-UHFFFAOYSA-N -1 1 321.366 0.622 20 30 DCEDMM C#CCOCCn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC001588363363 1166545697 /nfs/dbraw/zinc/54/56/97/1166545697.db2.gz BAJMURFLIFAZCT-UHFFFAOYSA-N -1 1 302.338 0.198 20 30 DCEDMM C#Cc1cccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)c1 ZINC001588374600 1166550202 /nfs/dbraw/zinc/55/02/02/1166550202.db2.gz CMDMDICAXCBMHG-UHFFFAOYSA-N -1 1 323.316 0.259 20 30 DCEDMM C=C(C)C[C@@H](CO)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001588405456 1166551239 /nfs/dbraw/zinc/55/12/39/1166551239.db2.gz OEPOXKVPJQSOOP-VIFPVBQESA-N -1 1 318.337 0.333 20 30 DCEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588401614 1166551415 /nfs/dbraw/zinc/55/14/15/1166551415.db2.gz VSTIHZSXYPHGHA-ZWNOBZJWSA-N -1 1 314.349 0.973 20 30 DCEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588401614 1166551418 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C=CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H](C)COC ZINC001588625705 1166572256 /nfs/dbraw/zinc/57/22/56/1166572256.db2.gz MXUAWZOYXWZNKP-SECBINFHSA-N -1 1 320.353 0.755 20 30 DCEDMM C=CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H](C)COC ZINC001588625705 1166572259 /nfs/dbraw/zinc/57/22/59/1166572259.db2.gz MXUAWZOYXWZNKP-SECBINFHSA-N -1 1 320.353 0.755 20 30 DCEDMM C=CCOCCNc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001588683487 1166578533 /nfs/dbraw/zinc/57/85/33/1166578533.db2.gz VUYZJRIVOKXQLJ-UHFFFAOYSA-N -1 1 304.310 0.663 20 30 DCEDMM C=CCOCCNc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001588683487 1166578535 /nfs/dbraw/zinc/57/85/35/1166578535.db2.gz VUYZJRIVOKXQLJ-UHFFFAOYSA-N -1 1 304.310 0.663 20 30 DCEDMM CC#CC[C@H](CO)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001588737359 1166581539 /nfs/dbraw/zinc/58/15/39/1166581539.db2.gz DCDNAWGRYMGJGE-SNVBAGLBSA-N -1 1 301.310 0.158 20 30 DCEDMM CC#CC[C@H](CO)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001588737359 1166581546 /nfs/dbraw/zinc/58/15/46/1166581546.db2.gz DCDNAWGRYMGJGE-SNVBAGLBSA-N -1 1 301.310 0.158 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588725405 1166582244 /nfs/dbraw/zinc/58/22/44/1166582244.db2.gz DBIGBOQQKBSYPJ-CABZTGNLSA-N -1 1 300.322 0.583 20 30 DCEDMM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588725405 1166582245 /nfs/dbraw/zinc/58/22/45/1166582245.db2.gz DBIGBOQQKBSYPJ-CABZTGNLSA-N -1 1 300.322 0.583 20 30 DCEDMM C[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001588952765 1166622524 /nfs/dbraw/zinc/62/25/24/1166622524.db2.gz YBGCXHXFOOSUBB-ZANVPECISA-N -1 1 315.341 0.171 20 30 DCEDMM C[C@@H](C(=O)NCc1cccc(C#N)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001588999208 1166626794 /nfs/dbraw/zinc/62/67/94/1166626794.db2.gz YPPJAAYYUZSJBT-VIFPVBQESA-N -1 1 323.320 0.207 20 30 DCEDMM C[C@@H](C(=O)OCC(C)(C)CCC#N)n1cnc(-c2nn[n-]n2)n1 ZINC001589027821 1166630769 /nfs/dbraw/zinc/63/07/69/1166630769.db2.gz PYTRCAZCYUCWAR-VIFPVBQESA-N -1 1 318.341 0.892 20 30 DCEDMM CC(C)(CNc1cnc(-c2nnn[n-]2)c(C#N)n1)n1cccn1 ZINC001589293182 1166644557 /nfs/dbraw/zinc/64/45/57/1166644557.db2.gz QJBWCPHUSQDKDG-UHFFFAOYSA-N -1 1 310.325 0.572 20 30 DCEDMM CC(C)(CNc1cnc(-c2nn[n-]n2)c(C#N)n1)n1cccn1 ZINC001589293182 1166644561 /nfs/dbraw/zinc/64/45/61/1166644561.db2.gz QJBWCPHUSQDKDG-UHFFFAOYSA-N -1 1 310.325 0.572 20 30 DCEDMM CC(C)C[C@H](CCO)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589553327 1166667544 /nfs/dbraw/zinc/66/75/44/1166667544.db2.gz WFRWINGRUVKXRX-JTQLQIEISA-N -1 1 316.369 0.985 20 30 DCEDMM C[C@H](CC#N)N(C)c1nnc(-c2ccnc(-c3nnn[n-]3)c2)n1C ZINC001589788440 1166688133 /nfs/dbraw/zinc/68/81/33/1166688133.db2.gz YYDOFEJOGAUDSO-SECBINFHSA-N -1 1 324.352 0.796 20 30 DCEDMM C[C@H](CC#N)N(C)c1nnc(-c2ccnc(-c3nn[n-]n3)c2)n1C ZINC001589788440 1166688136 /nfs/dbraw/zinc/68/81/36/1166688136.db2.gz YYDOFEJOGAUDSO-SECBINFHSA-N -1 1 324.352 0.796 20 30 DCEDMM C[C@@H](Cc1ccncc1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589902837 1166712659 /nfs/dbraw/zinc/71/26/59/1166712659.db2.gz USIVGZZITPRRDW-VIFPVBQESA-N -1 1 307.321 0.966 20 30 DCEDMM C[C@@H](Cc1ccncc1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589902837 1166712661 /nfs/dbraw/zinc/71/26/61/1166712661.db2.gz USIVGZZITPRRDW-VIFPVBQESA-N -1 1 307.321 0.966 20 30 DCEDMM C[C@H]1CC(Nc2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001590209305 1166816429 /nfs/dbraw/zinc/81/64/29/1166816429.db2.gz LNKWIOYKUSJWOS-YUMQZZPRSA-N -1 1 300.326 0.896 20 30 DCEDMM C[C@H]1CCC[C@]1(O)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590246601 1166827355 /nfs/dbraw/zinc/82/73/55/1166827355.db2.gz DECLDFZCPGQCNJ-SDBXPKJASA-N -1 1 300.326 0.491 20 30 DCEDMM C[C@H]1CCC[C@]1(O)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590246601 1166827362 /nfs/dbraw/zinc/82/73/62/1166827362.db2.gz DECLDFZCPGQCNJ-SDBXPKJASA-N -1 1 300.326 0.491 20 30 DCEDMM C[C@@H]1CNc2c(Nc3cnc(-c4nnn[n-]4)c(C#N)n3)cnn2C1 ZINC001590322848 1166864595 /nfs/dbraw/zinc/86/45/95/1166864595.db2.gz UZSYJCNEHDCXKY-SSDOTTSWSA-N -1 1 323.324 0.530 20 30 DCEDMM C[C@@H]1CNc2c(Nc3cnc(-c4nn[n-]n4)c(C#N)n3)cnn2C1 ZINC001590322848 1166864601 /nfs/dbraw/zinc/86/46/01/1166864601.db2.gz UZSYJCNEHDCXKY-SSDOTTSWSA-N -1 1 323.324 0.530 20 30 DCEDMM CC[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)C(OC)OC ZINC001590474137 1166919802 /nfs/dbraw/zinc/91/98/02/1166919802.db2.gz YSVGQQJBBXRNCI-ZETCQYMHSA-N -1 1 304.314 0.338 20 30 DCEDMM CCO[C@@H]1C[C@@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)[C@H]1OC ZINC001590791277 1167021716 /nfs/dbraw/zinc/02/17/16/1167021716.db2.gz MBNJHGOGWGEEFD-JWKOBGCHSA-N -1 1 316.325 0.133 20 30 DCEDMM CCO[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)[C@H]1OC ZINC001590790506 1167021916 /nfs/dbraw/zinc/02/19/16/1167021916.db2.gz IIYUHCPFOHHDRS-JWKOBGCHSA-N -1 1 316.325 0.133 20 30 DCEDMM CCO[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)[C@H]1OC ZINC001590790506 1167021922 /nfs/dbraw/zinc/02/19/22/1167021922.db2.gz IIYUHCPFOHHDRS-JWKOBGCHSA-N -1 1 316.325 0.133 20 30 DCEDMM COC(=O)C(C)(C)CNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001591226898 1167165775 /nfs/dbraw/zinc/16/57/75/1167165775.db2.gz OVNIZNULENKPAS-UHFFFAOYSA-N -1 1 302.298 0.139 20 30 DCEDMM COC(=O)C(C)(C)CNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001591226898 1167165780 /nfs/dbraw/zinc/16/57/80/1167165780.db2.gz OVNIZNULENKPAS-UHFFFAOYSA-N -1 1 302.298 0.139 20 30 DCEDMM COc1cccnc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001591654058 1167340588 /nfs/dbraw/zinc/34/05/88/1167340588.db2.gz WKBMKMCGOJFQJD-UHFFFAOYSA-N -1 1 311.265 0.117 20 30 DCEDMM Cc1c(C#N)cccc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001591802421 1167382951 /nfs/dbraw/zinc/38/29/51/1167382951.db2.gz YMIGKLHGMUJNAV-UHFFFAOYSA-N -1 1 319.288 0.894 20 30 DCEDMM Cc1ncc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)n1C ZINC001591956588 1167425029 /nfs/dbraw/zinc/42/50/29/1167425029.db2.gz GWQFFEMMXQYPBK-UHFFFAOYSA-N -1 1 312.337 0.569 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc(N(C)C)n2C)o1 ZINC001592338428 1167494327 /nfs/dbraw/zinc/49/43/27/1167494327.db2.gz BKMCZFBYFDZJFK-UHFFFAOYSA-N -1 1 316.329 0.409 20 30 DCEDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cncc(C#N)c1 ZINC001592501182 1167542479 /nfs/dbraw/zinc/54/24/79/1167542479.db2.gz LEDMBSPUEKHCSS-UHFFFAOYSA-N -1 1 309.289 0.965 20 30 DCEDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cncc(C#N)c1 ZINC001592501182 1167542482 /nfs/dbraw/zinc/54/24/82/1167542482.db2.gz LEDMBSPUEKHCSS-UHFFFAOYSA-N -1 1 309.289 0.965 20 30 DCEDMM Cc1oc(NC(=O)CN[C@H](C)CC#N)c(-c2nn[n-]n2)c1C ZINC001592511057 1167544321 /nfs/dbraw/zinc/54/43/21/1167544321.db2.gz IRFCZZBJQQMXAT-SSDOTTSWSA-N -1 1 303.326 0.907 20 30 DCEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CC2(C#N)CCOCC2)n1 ZINC001592558929 1167559486 /nfs/dbraw/zinc/55/94/86/1167559486.db2.gz NFQOCKCXUQMQQY-UHFFFAOYSA-N -1 1 316.325 0.249 20 30 DCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CC2(C#N)CCOCC2)n1 ZINC001592558929 1167559488 /nfs/dbraw/zinc/55/94/88/1167559488.db2.gz NFQOCKCXUQMQQY-UHFFFAOYSA-N -1 1 316.325 0.249 20 30 DCEDMM N#C[C@H]1CSCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592671224 1167593325 /nfs/dbraw/zinc/59/33/25/1167593325.db2.gz AWFASBVHWDCLCC-QMMMGPOBSA-N -1 1 301.335 0.343 20 30 DCEDMM N#C[C@H]1CSCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592671224 1167593327 /nfs/dbraw/zinc/59/33/27/1167593327.db2.gz AWFASBVHWDCLCC-QMMMGPOBSA-N -1 1 301.335 0.343 20 30 DCEDMM N#CCN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592677783 1167598948 /nfs/dbraw/zinc/59/89/48/1167598948.db2.gz STBCXMVKRGPQBK-UHFFFAOYSA-N -1 1 310.364 0.605 20 30 DCEDMM N#CCN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592677783 1167598953 /nfs/dbraw/zinc/59/89/53/1167598953.db2.gz STBCXMVKRGPQBK-UHFFFAOYSA-N -1 1 310.364 0.605 20 30 DCEDMM N#Cc1[n-]c(NC(=O)c2ncc3ccccn32)nc1-c1nn[nH]n1 ZINC001592682049 1167600829 /nfs/dbraw/zinc/60/08/29/1167600829.db2.gz NTMDPKJRAJFNDD-UHFFFAOYSA-N -1 1 320.276 0.361 20 30 DCEDMM N#Cc1ncc(NCc2cccc(CO)c2)nc1-c1nn[n-]n1 ZINC001592708725 1167606465 /nfs/dbraw/zinc/60/64/65/1167606465.db2.gz LCFGPVBSCMAAEK-UHFFFAOYSA-N -1 1 308.305 0.633 20 30 DCEDMM N#Cc1ncc(N2C[C@@H]3C[C@H](O)CC[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001592708292 1167606561 /nfs/dbraw/zinc/60/65/61/1167606561.db2.gz HBLIMDAOXYVHOS-KXUCPTDWSA-N -1 1 312.337 0.126 20 30 DCEDMM N#Cc1ncc(N2CCC[C@H]2[C@@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592708452 1167606904 /nfs/dbraw/zinc/60/69/04/1167606904.db2.gz RPTLNNXDXCAERM-QWRGUYRKSA-N -1 1 312.337 0.676 20 30 DCEDMM N#Cc1csc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001592705953 1167607882 /nfs/dbraw/zinc/60/78/82/1167607882.db2.gz LCBXMLWKYHFAPY-UHFFFAOYSA-N -1 1 301.291 0.718 20 30 DCEDMM N#Cc1csc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001592705953 1167607887 /nfs/dbraw/zinc/60/78/87/1167607887.db2.gz LCBXMLWKYHFAPY-UHFFFAOYSA-N -1 1 301.291 0.718 20 30 DCEDMM C#C[C@@H]1CCCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001602696300 1169163044 /nfs/dbraw/zinc/16/30/44/1169163044.db2.gz HMYUUAYULKZSCO-SNVBAGLBSA-N -1 1 312.333 0.761 20 30 DCEDMM C=CC[C@H](CC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001602811994 1169186835 /nfs/dbraw/zinc/18/68/35/1169186835.db2.gz UUOHJXXEFMBGMO-VIFPVBQESA-N -1 1 308.367 0.895 20 30 DCEDMM C=CC[C@H](CC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001602811994 1169186842 /nfs/dbraw/zinc/18/68/42/1169186842.db2.gz UUOHJXXEFMBGMO-VIFPVBQESA-N -1 1 308.367 0.895 20 30 DCEDMM C=CCCC(=O)N[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001602827440 1169190227 /nfs/dbraw/zinc/19/02/27/1169190227.db2.gz WTWYVKUCUSRIPU-SECBINFHSA-N -1 1 302.342 0.540 20 30 DCEDMM C=CCCC(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001602827440 1169190229 /nfs/dbraw/zinc/19/02/29/1169190229.db2.gz WTWYVKUCUSRIPU-SECBINFHSA-N -1 1 302.342 0.540 20 30 DCEDMM C=CCCOCC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001602846680 1169192037 /nfs/dbraw/zinc/19/20/37/1169192037.db2.gz VUOWQZZLCQWZBD-UHFFFAOYSA-N -1 1 304.310 0.802 20 30 DCEDMM C=CCn1c(-c2cnc(-c3nnn[n-]3)cn2)nnc1N1CCCC1 ZINC001602879076 1169198044 /nfs/dbraw/zinc/19/80/44/1169198044.db2.gz LNXNYNQEYBOTKM-UHFFFAOYSA-N -1 1 324.352 0.701 20 30 DCEDMM C=CCn1c(-c2cnc(-c3nn[n-]n3)cn2)nnc1N1CCCC1 ZINC001602879076 1169198049 /nfs/dbraw/zinc/19/80/49/1169198049.db2.gz LNXNYNQEYBOTKM-UHFFFAOYSA-N -1 1 324.352 0.701 20 30 DCEDMM C=CCOCCCNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001602915062 1169203976 /nfs/dbraw/zinc/20/39/76/1169203976.db2.gz BQDNMFUMNLISIR-ZDUSSCGKSA-N -1 1 313.398 0.770 20 30 DCEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)Cn2ccccc2=O)o1 ZINC001603591025 1169332149 /nfs/dbraw/zinc/33/21/49/1169332149.db2.gz RRBNAWFFNPCHQV-UHFFFAOYSA-N -1 1 314.309 0.813 20 30 DCEDMM C[C@@]1(C#N)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603736906 1169374310 /nfs/dbraw/zinc/37/43/10/1169374310.db2.gz PUDINNHTRYFMLA-LBPRGKRZSA-N -1 1 319.350 0.186 20 30 DCEDMM C[C@@]1(C#N)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603736906 1169374318 /nfs/dbraw/zinc/37/43/18/1169374318.db2.gz PUDINNHTRYFMLA-LBPRGKRZSA-N -1 1 319.350 0.186 20 30 DCEDMM C[C@@]1(C#N)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001603738032 1169375268 /nfs/dbraw/zinc/37/52/68/1169375268.db2.gz KAAOFHYBZWPWEA-CYBMUJFWSA-N -1 1 314.309 0.408 20 30 DCEDMM C[C@@]1(C#N)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001603738032 1169375272 /nfs/dbraw/zinc/37/52/72/1169375272.db2.gz KAAOFHYBZWPWEA-CYBMUJFWSA-N -1 1 314.309 0.408 20 30 DCEDMM CC1(C)[C@H](Nc2cnc(-c3nnn[n-]3)c(C#N)n2)[C@H]2CCO[C@@H]21 ZINC001603758306 1169381524 /nfs/dbraw/zinc/38/15/24/1169381524.db2.gz WTHDKRSMAQCXIT-HFKOZYHYSA-N -1 1 312.337 0.754 20 30 DCEDMM CC1(C)[C@H](Nc2cnc(-c3nn[n-]n3)c(C#N)n2)[C@H]2CCO[C@@H]21 ZINC001603758306 1169381531 /nfs/dbraw/zinc/38/15/31/1169381531.db2.gz WTHDKRSMAQCXIT-HFKOZYHYSA-N -1 1 312.337 0.754 20 30 DCEDMM C[C@]1(C2CC2)CN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CCO1 ZINC001603798384 1169394923 /nfs/dbraw/zinc/39/49/23/1169394923.db2.gz WVYITGKZDLWCFY-CQSZACIVSA-N -1 1 312.337 0.534 20 30 DCEDMM CC[C@@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@H](CC)O1 ZINC001604111895 1169495354 /nfs/dbraw/zinc/49/53/54/1169495354.db2.gz MNZSWGXYSVKYGJ-AOOOYVTPSA-N -1 1 314.353 0.922 20 30 DCEDMM CC[C@@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@H](CC)O1 ZINC001604111895 1169495355 /nfs/dbraw/zinc/49/53/55/1169495355.db2.gz MNZSWGXYSVKYGJ-AOOOYVTPSA-N -1 1 314.353 0.922 20 30 DCEDMM CC[C@H]1CN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@H](CC)O1 ZINC001604111897 1169495741 /nfs/dbraw/zinc/49/57/41/1169495741.db2.gz MNZSWGXYSVKYGJ-UWVGGRQHSA-N -1 1 314.353 0.922 20 30 DCEDMM CC[C@H]1CN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C[C@H](CC)O1 ZINC001604111897 1169495743 /nfs/dbraw/zinc/49/57/43/1169495743.db2.gz MNZSWGXYSVKYGJ-UWVGGRQHSA-N -1 1 314.353 0.922 20 30 DCEDMM C[C@@H](N[C@H]1CCO[C@H]1C(=O)[O-])C(=O)Nc1cccc(C#N)c1 ZINC001604365363 1169571111 /nfs/dbraw/zinc/57/11/11/1169571111.db2.gz YNVNMWANVZABPZ-JIMOISOXSA-N -1 1 303.318 0.717 20 30 DCEDMM CCc1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)ccc1O ZINC001604517295 1169609488 /nfs/dbraw/zinc/60/94/88/1169609488.db2.gz INBIEZDTRIHSHE-UHFFFAOYSA-N -1 1 324.304 0.982 20 30 DCEDMM C[C@H]1CN(C(=O)c2ccc(C#N)n2C)CCN1CCC(=O)[O-] ZINC001604781213 1169678963 /nfs/dbraw/zinc/67/89/63/1169678963.db2.gz WVOZBEZJACVHEO-NSHDSACASA-N -1 1 304.350 0.518 20 30 DCEDMM 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CYLSMTWZPAZQQN-UHFFFAOYSA-N -1 1 305.298 0.900 20 30 DCEDMM C=C(C)CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001588429504 1166556272 /nfs/dbraw/zinc/55/62/72/1166556272.db2.gz CGELJOVKMVQROH-UHFFFAOYSA-N -1 1 306.351 0.995 20 30 DCEDMM C=CC(C)(C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001588469204 1166556944 /nfs/dbraw/zinc/55/69/44/1166556944.db2.gz YOQJDFKLLBHHEF-UHFFFAOYSA-N -1 1 318.385 0.775 20 30 DCEDMM C=CC(C)(C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001588469204 1166556948 /nfs/dbraw/zinc/55/69/48/1166556948.db2.gz YOQJDFKLLBHHEF-UHFFFAOYSA-N -1 1 318.385 0.775 20 30 DCEDMM C=CC(C)(C)C(=O)N[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001588478005 1166557895 /nfs/dbraw/zinc/55/78/95/1166557895.db2.gz PHLXYHXYTRPQML-SECBINFHSA-N -1 1 316.369 0.207 20 30 DCEDMM C=CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)OCC ZINC001588549814 1166562694 /nfs/dbraw/zinc/56/26/94/1166562694.db2.gz YWVDHDKEOHILFN-NSHDSACASA-N -1 1 316.321 0.499 20 30 DCEDMM C=CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)OCC ZINC001588549814 1166562701 /nfs/dbraw/zinc/56/27/01/1166562701.db2.gz YWVDHDKEOHILFN-NSHDSACASA-N -1 1 316.321 0.499 20 30 DCEDMM C=CCN(CC(=O)OCC)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001588627612 1166571141 /nfs/dbraw/zinc/57/11/41/1166571141.db2.gz BOJJCMKMKCZWFH-UHFFFAOYSA-N -1 1 319.321 0.959 20 30 DCEDMM C=CCN(CC(=O)OCC)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001588627612 1166571150 /nfs/dbraw/zinc/57/11/50/1166571150.db2.gz BOJJCMKMKCZWFH-UHFFFAOYSA-N -1 1 319.321 0.959 20 30 DCEDMM C=CCNC(=O)CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001588660288 1166577387 /nfs/dbraw/zinc/57/73/87/1166577387.db2.gz YIMHYOQNCFXLIM-UHFFFAOYSA-N -1 1 321.366 0.030 20 30 DCEDMM C=CCn1cc(CNCc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001588717242 1166580689 /nfs/dbraw/zinc/58/06/89/1166580689.db2.gz VPDAGIPHEQREKO-UHFFFAOYSA-N -1 1 303.355 0.391 20 30 DCEDMM C=CCn1cc(CNCc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001588717242 1166580694 /nfs/dbraw/zinc/58/06/94/1166580694.db2.gz VPDAGIPHEQREKO-UHFFFAOYSA-N -1 1 303.355 0.391 20 30 DCEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001588718710 1166580822 /nfs/dbraw/zinc/58/08/22/1166580822.db2.gz QYCFIJDNGRMYIP-PWSUYJOCSA-N -1 1 300.322 0.725 20 30 DCEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001588718710 1166580827 /nfs/dbraw/zinc/58/08/27/1166580827.db2.gz QYCFIJDNGRMYIP-PWSUYJOCSA-N -1 1 300.322 0.725 20 30 DCEDMM CC#CC[C@@H](CO)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001588738858 1166584032 /nfs/dbraw/zinc/58/40/32/1166584032.db2.gz SXDKEMNVKMAVDV-JTQLQIEISA-N -1 1 309.333 0.996 20 30 DCEDMM CC#CC[C@@H](CO)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001588738858 1166584041 /nfs/dbraw/zinc/58/40/41/1166584041.db2.gz SXDKEMNVKMAVDV-JTQLQIEISA-N -1 1 309.333 0.996 20 30 DCEDMM CCCn1cc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)nn1 ZINC001590664420 1166961922 /nfs/dbraw/zinc/96/19/22/1166961922.db2.gz ZFBLIVVMRRWSAC-UHFFFAOYSA-N -1 1 311.313 0.142 20 30 DCEDMM CCCn1cc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)nn1 ZINC001590664420 1166961929 /nfs/dbraw/zinc/96/19/29/1166961929.db2.gz 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/nfs/dbraw/zinc/56/11/42/1167561142.db2.gz NDPMNJVNDAICOP-VIFPVBQESA-N -1 1 315.341 0.758 20 30 DCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](CC#N)C2)n1 ZINC001592559397 1167561146 /nfs/dbraw/zinc/56/11/46/1167561146.db2.gz NDPMNJVNDAICOP-VIFPVBQESA-N -1 1 315.341 0.758 20 30 DCEDMM N#CC1CN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001592672062 1167593496 /nfs/dbraw/zinc/59/34/96/1167593496.db2.gz WLEXQUBAXCFZGT-UHFFFAOYSA-N -1 1 323.238 0.876 20 30 DCEDMM N#CCCCCNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592674488 1167596884 /nfs/dbraw/zinc/59/68/84/1167596884.db2.gz DXVRVLYMEQADJQ-UHFFFAOYSA-N -1 1 306.355 0.816 20 30 DCEDMM N#CCCCCNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592674488 1167596889 /nfs/dbraw/zinc/59/68/89/1167596889.db2.gz DXVRVLYMEQADJQ-UHFFFAOYSA-N -1 1 306.355 0.816 20 30 DCEDMM N#CCc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001592680384 1167599393 /nfs/dbraw/zinc/59/93/93/1167599393.db2.gz ZFIRAHYLZJNKLU-UHFFFAOYSA-N -1 1 309.293 0.163 20 30 DCEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1CC(=O)Nc1ccccc1 ZINC001592681453 1167599433 /nfs/dbraw/zinc/59/94/33/1167599433.db2.gz DEMJVISPRXDOJM-UHFFFAOYSA-N -1 1 309.293 0.156 20 30 DCEDMM N#Cc1nc(N2CCC(CCO)CC2)cnc1-c1nnn[n-]1 ZINC001592704328 1167604357 /nfs/dbraw/zinc/60/43/57/1167604357.db2.gz CSWKQBGVMXDFGU-UHFFFAOYSA-N -1 1 300.326 0.127 20 30 DCEDMM N#Cc1nc(N2CCC(CCO)CC2)cnc1-c1nn[n-]n1 ZINC001592704328 1167604360 /nfs/dbraw/zinc/60/43/60/1167604360.db2.gz CSWKQBGVMXDFGU-UHFFFAOYSA-N -1 1 300.326 0.127 20 30 DCEDMM N#Cc1cccc([N+](=O)[O-])c1Cn1cncc(-c2nn[n-]n2)c1=O ZINC001592703462 1167604521 /nfs/dbraw/zinc/60/45/21/1167604521.db2.gz XZMMTGBLBTYUPC-UHFFFAOYSA-N -1 1 324.260 0.252 20 30 DCEDMM N#Cc1ccnc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC001592702753 1167604661 /nfs/dbraw/zinc/60/46/61/1167604661.db2.gz YNLFPMSYCHGQAO-UHFFFAOYSA-N -1 1 310.325 0.483 20 30 DCEDMM N#Cc1nc(NCCNc2ccccn2)cnc1-c1nnn[n-]1 ZINC001592707710 1167607217 /nfs/dbraw/zinc/60/72/17/1167607217.db2.gz XAFWQFASKKOEIN-UHFFFAOYSA-N -1 1 308.309 0.447 20 30 DCEDMM N#Cc1nc(NCCNc2ccccn2)cnc1-c1nn[n-]n1 ZINC001592707710 1167607219 /nfs/dbraw/zinc/60/72/19/1167607219.db2.gz XAFWQFASKKOEIN-UHFFFAOYSA-N -1 1 308.309 0.447 20 30 DCEDMM N#Cc1ncn(CCc2ccc(C(N)=O)cc2)c1-c1nn[n-]n1 ZINC001592709533 1167609491 /nfs/dbraw/zinc/60/94/91/1167609491.db2.gz INGJIENPLVYAEA-UHFFFAOYSA-N -1 1 308.305 0.276 20 30 DCEDMM N#Cc1ncc(N2Cc3ccc(O)cc3C2)nc1-c1nn[n-]n1 ZINC001592710582 1167609599 /nfs/dbraw/zinc/60/95/99/1167609599.db2.gz PMKVMIURKZIKFK-UHFFFAOYSA-N -1 1 306.289 0.754 20 30 DCEDMM Cc1cc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)ncc1C#N ZINC001600083358 1168115323 /nfs/dbraw/zinc/11/53/23/1168115323.db2.gz VFZGZTKXSCVEQH-GFCCVEGCSA-N -1 1 302.334 0.350 20 30 DCEDMM N#CC1(C(=O)[O-])CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001601052566 1168577478 /nfs/dbraw/zinc/57/74/78/1168577478.db2.gz SNLOLZFSSSGZTJ-UHFFFAOYSA-N -1 1 320.305 0.447 20 30 DCEDMM N#CCc1ccccc1CC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001601077929 1168582787 /nfs/dbraw/zinc/58/27/87/1168582787.db2.gz FTUCNCLFRKWZBP-UHFFFAOYSA-N -1 1 301.346 0.524 20 30 DCEDMM C#CC[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC001602696998 1169163761 /nfs/dbraw/zinc/16/37/61/1169163761.db2.gz IFYBOVZUXBNLMH-JTQLQIEISA-N -1 1 317.280 0.301 20 30 DCEDMM C#CC[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)OC ZINC001602696998 1169163767 /nfs/dbraw/zinc/16/37/67/1169163767.db2.gz IFYBOVZUXBNLMH-JTQLQIEISA-N -1 1 317.280 0.301 20 30 DCEDMM C#CCCCC(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001602704567 1169165819 /nfs/dbraw/zinc/16/58/19/1169165819.db2.gz XVWBXPXIELIZQS-UHFFFAOYSA-N -1 1 314.353 0.013 20 30 DCEDMM C#CCCCC(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001602704567 1169165825 /nfs/dbraw/zinc/16/58/25/1169165825.db2.gz XVWBXPXIELIZQS-UHFFFAOYSA-N -1 1 314.353 0.013 20 30 DCEDMM C#CCN(CC#CC)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001602719940 1169170607 /nfs/dbraw/zinc/17/06/07/1169170607.db2.gz LTEJHWZBOFKJOV-UHFFFAOYSA-N -1 1 321.387 0.575 20 30 DCEDMM 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Cn1ncc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c1Cl ZINC001581830416 1165882585 /nfs/dbraw/zinc/88/25/85/1165882585.db2.gz VLYHBPNMJMVUOV-UHFFFAOYSA-N -1 1 318.688 0.101 20 30 DCEDMM Cn1nc(CNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1C1CC1 ZINC001581824618 1165883212 /nfs/dbraw/zinc/88/32/12/1165883212.db2.gz WHGCKEWXMNPFBX-UHFFFAOYSA-N -1 1 322.336 0.751 20 30 DCEDMM N#Cc1[n-]c(NC(=O)CCCc2cccnc2)nc1-c1nn[nH]n1 ZINC001581859979 1165891368 /nfs/dbraw/zinc/89/13/68/1165891368.db2.gz FTPREPOGEQFREU-UHFFFAOYSA-N -1 1 323.320 0.818 20 30 DCEDMM N#Cc1[n-]c(NC(=O)c2cnn(CC3CC3)c2)nc1-c1nn[nH]n1 ZINC001581860925 1165894937 /nfs/dbraw/zinc/89/49/37/1165894937.db2.gz ZUERQFUBTNPWTJ-UHFFFAOYSA-N -1 1 324.308 0.320 20 30 DCEDMM N#Cc1ccncc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001581876671 1165897139 /nfs/dbraw/zinc/89/71/39/1165897139.db2.gz APLJRGKFHPKJKK-UHFFFAOYSA-N -1 1 321.304 0.986 20 30 DCEDMM N#Cc1nc(N[C@H]2Cc3cccc(O)c3C2)cnc1-c1nnn[n-]1 ZINC001581880849 1165899270 /nfs/dbraw/zinc/89/92/70/1165899270.db2.gz 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CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590680922 1166972276 /nfs/dbraw/zinc/97/22/76/1166972276.db2.gz MOZKKOZPODTEFO-QMMMGPOBSA-N -1 1 310.339 0.630 20 30 DCEDMM CCO[C@@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[n-]n3)n2)[C@H]1OC ZINC001590791278 1167021128 /nfs/dbraw/zinc/02/11/28/1167021128.db2.gz MBNJHGOGWGEEFD-LPBBDHJYSA-N -1 1 316.325 0.133 20 30 DCEDMM COC[C@H]1CCCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001591391961 1167260971 /nfs/dbraw/zinc/26/09/71/1167260971.db2.gz AWVFUVQMBBCDFH-JTQLQIEISA-N -1 1 314.353 0.781 20 30 DCEDMM COC[C@H]1CCCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001591391961 1167260977 /nfs/dbraw/zinc/26/09/77/1167260977.db2.gz AWVFUVQMBBCDFH-JTQLQIEISA-N -1 1 314.353 0.781 20 30 DCEDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C#N)cc2F)n1 ZINC001592560986 1167564364 /nfs/dbraw/zinc/56/43/64/1167564364.db2.gz QIXOBGVVXNVXCV-UHFFFAOYSA-N -1 1 312.268 0.863 20 30 DCEDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C#N)cc2F)n1 ZINC001592560986 1167564368 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1166582469 /nfs/dbraw/zinc/58/24/69/1166582469.db2.gz UFYROBOQFXGLIC-UHFFFAOYSA-N -1 1 317.338 0.661 20 30 DCEDMM C[C@H](C#N)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588928602 1166618299 /nfs/dbraw/zinc/61/82/99/1166618299.db2.gz OMCXTEFQMNUJQR-SNVBAGLBSA-N -1 1 312.337 0.070 20 30 DCEDMM C[C@H](C#N)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588928602 1166618304 /nfs/dbraw/zinc/61/83/04/1166618304.db2.gz OMCXTEFQMNUJQR-SNVBAGLBSA-N -1 1 312.337 0.070 20 30 DCEDMM C[C@H](C(=O)N1CCC(C)(C#N)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001588949213 1166620824 /nfs/dbraw/zinc/62/08/24/1166620824.db2.gz UDYVJUWDRVNLPB-SECBINFHSA-N -1 1 315.341 0.171 20 30 DCEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001588965786 1166625213 /nfs/dbraw/zinc/62/52/13/1166625213.db2.gz LDRSHCULEYRSCR-QPUJVOFHSA-N -1 1 303.330 0.074 20 30 DCEDMM C[C@H](CC#N)N(C)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1C ZINC001589788411 1166687964 /nfs/dbraw/zinc/68/79/64/1166687964.db2.gz YAPUFIJYVKIOQV-MRVPVSSYSA-N -1 1 313.325 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N#Cc1cnc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(Cl)c1 ZINC001581877008 1165896843 /nfs/dbraw/zinc/89/68/43/1165896843.db2.gz OQWJPADTZPRSAX-UHFFFAOYSA-N -1 1 315.684 0.762 20 30 DCEDMM N#Cc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)ccc2=O)cc1 ZINC001581873283 1165897693 /nfs/dbraw/zinc/89/76/93/1165897693.db2.gz VYPWVROUOHUJIK-UHFFFAOYSA-N -1 1 321.300 0.539 20 30 DCEDMM N#Cc1nc(N2CCCCC[C@H]2CCO)cnc1-c1nnn[n-]1 ZINC001581879635 1165899381 /nfs/dbraw/zinc/89/93/81/1165899381.db2.gz RMCQNECKCYCQQF-JTQLQIEISA-N -1 1 314.353 0.660 20 30 DCEDMM N#Cc1nc(N2CCCCC[C@H]2CCO)cnc1-c1nn[n-]n1 ZINC001581879635 1165899385 /nfs/dbraw/zinc/89/93/85/1165899385.db2.gz RMCQNECKCYCQQF-JTQLQIEISA-N -1 1 314.353 0.660 20 30 DCEDMM N#Cc1ncc(N2CC(Oc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001581881802 1165902142 /nfs/dbraw/zinc/90/21/42/1165902142.db2.gz ALIRRCXPPDHWEA-UHFFFAOYSA-N -1 1 320.316 0.796 20 30 DCEDMM N#Cc1nc(NCc2nc3c([nH]2)CCCC3)cnc1-c1nnn[n-]1 ZINC001581881137 1165902972 /nfs/dbraw/zinc/90/29/72/1165902972.db2.gz LQUVEGBMJDNVTO-UHFFFAOYSA-N -1 1 322.336 0.742 20 30 DCEDMM N#Cc1nc(NCc2nc3c([nH]2)CCCC3)cnc1-c1nn[n-]n1 ZINC001581881137 1165902977 /nfs/dbraw/zinc/90/29/77/1165902977.db2.gz LQUVEGBMJDNVTO-UHFFFAOYSA-N -1 1 322.336 0.742 20 30 DCEDMM N#Cc1ncc(NCCc2ccc(CO)cc2)nc1-c1nn[n-]n1 ZINC001581883989 1165903387 /nfs/dbraw/zinc/90/33/87/1165903387.db2.gz GAFNMUWYVYUYAS-UHFFFAOYSA-N -1 1 322.332 0.675 20 30 DCEDMM N#Cc1ncn(C[C@H]2CCC[C@@]3(CCOC3)O2)c1-c1nn[n-]n1 ZINC001581885805 1165905122 /nfs/dbraw/zinc/90/51/22/1165905122.db2.gz NGOCYGBHNSTLTK-YGRLFVJLSA-N -1 1 315.337 0.663 20 30 DCEDMM C[C@]12CN(C(=O)c3ccc(C#N)c([O-])c3)C[C@]1(C)C(=O)NC2=O ZINC001587061419 1166502824 /nfs/dbraw/zinc/50/28/24/1166502824.db2.gz YFMMXGWCEDNWDI-HZPDHXFCSA-N -1 1 313.313 0.389 20 30 DCEDMM C#C[C@H](C)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001588325313 1166521021 /nfs/dbraw/zinc/52/10/21/1166521021.db2.gz JVEFDWYSSHWODJ-QMMMGPOBSA-N -1 1 309.326 0.648 20 30 DCEDMM C#CC[C@@H](CO)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 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318.337 0.645 20 30 DCEDMM C=CC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588565190 1166562596 /nfs/dbraw/zinc/56/25/96/1166562596.db2.gz WVFMUUKIGSEZKW-JTQLQIEISA-N -1 1 320.378 0.848 20 30 DCEDMM C=CC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588565190 1166562601 /nfs/dbraw/zinc/56/26/01/1166562601.db2.gz WVFMUUKIGSEZKW-JTQLQIEISA-N -1 1 320.378 0.848 20 30 DCEDMM C=CCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001588576325 1166566217 /nfs/dbraw/zinc/56/62/17/1166566217.db2.gz MYPZJUSXZRIVPY-MGCOHNPYSA-N -1 1 314.353 0.682 20 30 DCEDMM C=CCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001588576325 1166566222 /nfs/dbraw/zinc/56/62/22/1166566222.db2.gz MYPZJUSXZRIVPY-MGCOHNPYSA-N -1 1 314.353 0.682 20 30 DCEDMM C=CCCOC(=O)[C@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001588609358 1166567861 /nfs/dbraw/zinc/56/78/61/1166567861.db2.gz NDCSMXGOXXLXMA-VIFPVBQESA-N -1 1 317.305 0.926 20 30 DCEDMM C=CCCOC(=O)[C@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001588609358 1166567868 /nfs/dbraw/zinc/56/78/68/1166567868.db2.gz NDCSMXGOXXLXMA-VIFPVBQESA-N -1 1 317.305 0.926 20 30 DCEDMM C=CCCOCCNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001588618030 1166570214 /nfs/dbraw/zinc/57/02/14/1166570214.db2.gz ONEOVHWXKQLAPL-UHFFFAOYSA-N -1 1 318.337 0.598 20 30 DCEDMM C=CCCO[C@H](C)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001588611926 1166570740 /nfs/dbraw/zinc/57/07/40/1166570740.db2.gz ZQRWHXIXMDNODI-SSDOTTSWSA-N -1 1 302.298 0.381 20 30 DCEDMM C=CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC001588626692 1166571125 /nfs/dbraw/zinc/57/11/25/1166571125.db2.gz PVGMNRJYXWSTMD-UHFFFAOYSA-N -1 1 324.322 0.581 20 30 DCEDMM C=CCN(C(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588626303 1166571272 /nfs/dbraw/zinc/57/12/72/1166571272.db2.gz XEFYHLTVMXALHU-VIFPVBQESA-N -1 1 304.358 0.832 20 30 DCEDMM C=CCNC(=O)[C@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001588659475 1166576113 /nfs/dbraw/zinc/57/61/13/1166576113.db2.gz MQKDHSRAQOXLNN-QMMMGPOBSA-N -1 1 302.294 0.109 20 30 DCEDMM 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1166557381 /nfs/dbraw/zinc/55/73/81/1166557381.db2.gz RKSZXPRZVVDRQT-SECBINFHSA-N -1 1 316.369 0.786 20 30 DCEDMM C=CC(C)(C)C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588478048 1166557388 /nfs/dbraw/zinc/55/73/88/1166557388.db2.gz RKSZXPRZVVDRQT-SECBINFHSA-N -1 1 316.369 0.786 20 30 DCEDMM C=CC[C@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001588560666 1166561861 /nfs/dbraw/zinc/56/18/61/1166561861.db2.gz UBNNORWUBLLCRP-MNOVXSKESA-N -1 1 316.369 0.834 20 30 DCEDMM C=CCCC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001588571850 1166565125 /nfs/dbraw/zinc/56/51/25/1166565125.db2.gz QLEDKZDYKMMLHE-UHFFFAOYSA-N -1 1 314.353 0.272 20 30 DCEDMM C=CCCC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001588571850 1166565129 /nfs/dbraw/zinc/56/51/29/1166565129.db2.gz QLEDKZDYKMMLHE-UHFFFAOYSA-N -1 1 314.353 0.272 20 30 DCEDMM C=CCCC(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588572980 1166566101 /nfs/dbraw/zinc/56/61/01/1166566101.db2.gz WTWYVKUCUSRIPU-VIFPVBQESA-N -1 1 302.342 0.540 20 30 DCEDMM C=CCCC(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588572980 1166566109 /nfs/dbraw/zinc/56/61/09/1166566109.db2.gz WTWYVKUCUSRIPU-VIFPVBQESA-N -1 1 302.342 0.540 20 30 DCEDMM C=CCN(C1CC1)S(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001588628393 1166570490 /nfs/dbraw/zinc/57/04/90/1166570490.db2.gz XCMRNZQSWGCGJC-UHFFFAOYSA-N -1 1 306.351 0.601 20 30 DCEDMM CC#CC[C@@H](CO)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001588737356 1166582302 /nfs/dbraw/zinc/58/23/02/1166582302.db2.gz DCDNAWGRYMGJGE-JTQLQIEISA-N -1 1 301.310 0.158 20 30 DCEDMM CC#CC[C@@H](CO)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001588737356 1166582308 /nfs/dbraw/zinc/58/23/08/1166582308.db2.gz DCDNAWGRYMGJGE-JTQLQIEISA-N -1 1 301.310 0.158 20 30 DCEDMM CC#CC[C@@H](CO)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588737845 1166585473 /nfs/dbraw/zinc/58/54/73/1166585473.db2.gz JEPRPMYAVWLEHM-QMMMGPOBSA-N -1 1 317.309 0.543 20 30 DCEDMM CC#CC[C@@H](CO)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001588737845 1166585482 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SVFIQKKGQXFNDO-GHMZBOCLSA-N -1 1 307.350 0.613 20 30 DCEDMM C=CCN1C(=O)c2ccc(C(=O)N(C)c3nn[n-]n3)cc2C1=O ZINC001586262124 1166490002 /nfs/dbraw/zinc/49/00/02/1166490002.db2.gz HBIBLKJQSLNQCN-UHFFFAOYSA-N -1 1 312.289 0.258 20 30 DCEDMM C#C[C@H](CC)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC001588326322 1166524122 /nfs/dbraw/zinc/52/41/22/1166524122.db2.gz JLPOEEIZBWOGLM-SSDOTTSWSA-N -1 1 318.362 0.831 20 30 DCEDMM C#C[C@@H](C)N(C)c1nnc(-c2ccnc(-c3nnn[n-]3)c2)n1C ZINC001588326900 1166524741 /nfs/dbraw/zinc/52/47/41/1166524741.db2.gz XTYXQPWMJOSTFA-SECBINFHSA-N -1 1 309.337 0.515 20 30 DCEDMM C#C[C@@H](C)N(C)c1nnc(-c2ccnc(-c3nn[n-]n3)c2)n1C ZINC001588326900 1166524746 /nfs/dbraw/zinc/52/47/46/1166524746.db2.gz XTYXQPWMJOSTFA-SECBINFHSA-N -1 1 309.337 0.515 20 30 DCEDMM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC001588329834 1166527227 /nfs/dbraw/zinc/52/72/27/1166527227.db2.gz OQWAYAIYOYPIJS-RKDXNWHRSA-N -1 1 303.347 0.839 20 30 DCEDMM C#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC001588329834 1166527232 /nfs/dbraw/zinc/52/72/32/1166527232.db2.gz OQWAYAIYOYPIJS-RKDXNWHRSA-N -1 1 303.347 0.839 20 30 DCEDMM C#CC[C@@H](CCOC)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001588331641 1166528858 /nfs/dbraw/zinc/52/88/58/1166528858.db2.gz QIGRWMBQJWLFOW-NSHDSACASA-N -1 1 300.322 0.420 20 30 DCEDMM C#CC[C@@H](CCOC)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001588331641 1166528864 /nfs/dbraw/zinc/52/88/64/1166528864.db2.gz QIGRWMBQJWLFOW-NSHDSACASA-N -1 1 300.322 0.420 20 30 DCEDMM C#CC[C@@H]1CCCN(C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)C1 ZINC001588335274 1166531269 /nfs/dbraw/zinc/53/12/69/1166531269.db2.gz GMGWIZZBTSNDHJ-GHMZBOCLSA-N -1 1 314.353 0.281 20 30 DCEDMM C#CCCCCNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001588345974 1166535544 /nfs/dbraw/zinc/53/55/44/1166535544.db2.gz RIIBARMHWHEMSP-UHFFFAOYSA-N -1 1 300.322 0.809 20 30 DCEDMM C#CCNC(=O)[C@H](C)OC(=O)c1ccsc1-c1nnn[n-]1 ZINC001588353399 1166542968 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C=CC[C@@H](CO)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588546047 1166562663 /nfs/dbraw/zinc/56/26/63/1166562663.db2.gz VUGHVMLTFMSGGV-ZETCQYMHSA-N -1 1 309.355 0.059 20 30 DCEDMM C=CC[C@@H](CO)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001588546047 1166562665 /nfs/dbraw/zinc/56/26/65/1166562665.db2.gz VUGHVMLTFMSGGV-ZETCQYMHSA-N -1 1 309.355 0.059 20 30 DCEDMM C=CC[C@H]1CCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)C1 ZINC001588563920 1166563096 /nfs/dbraw/zinc/56/30/96/1166563096.db2.gz FFDGQKDFOFOYKH-JTQLQIEISA-N -1 1 320.378 0.848 20 30 DCEDMM C=CCCC(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001588571966 1166564660 /nfs/dbraw/zinc/56/46/60/1166564660.db2.gz USMJXBFQBWMGQC-VHSXEESVSA-N -1 1 316.369 0.928 20 30 DCEDMM C=CCCC(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001588571966 1166564668 /nfs/dbraw/zinc/56/46/68/1166564668.db2.gz USMJXBFQBWMGQC-VHSXEESVSA-N -1 1 316.369 0.928 20 30 DCEDMM C=CCCC(C)(C)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001588576356 1166565230 /nfs/dbraw/zinc/56/52/30/1166565230.db2.gz NSIBGROSCYMMSY-UHFFFAOYSA-N -1 1 304.358 0.567 20 30 DCEDMM C=CCCCC(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001588586264 1166566076 /nfs/dbraw/zinc/56/60/76/1166566076.db2.gz GBXFWXJVYVTWQT-SNVBAGLBSA-N -1 1 316.369 0.930 20 30 DCEDMM C=CCCCC(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001588586264 1166566092 /nfs/dbraw/zinc/56/60/92/1166566092.db2.gz GBXFWXJVYVTWQT-SNVBAGLBSA-N -1 1 316.369 0.930 20 30 DCEDMM C=CCCC[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001588594115 1166569029 /nfs/dbraw/zinc/56/90/29/1166569029.db2.gz LNXNGFFYUUVVEB-QMMMGPOBSA-N -1 1 305.342 0.823 20 30 DCEDMM C=CCOCC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001588682003 1166579897 /nfs/dbraw/zinc/57/98/97/1166579897.db2.gz TYJQKZPTNZUVAG-UHFFFAOYSA-N -1 1 316.321 0.476 20 30 DCEDMM CC(C)(O)[C@H]1CCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589328219 1166650075 /nfs/dbraw/zinc/65/00/75/1166650075.db2.gz TYEYUCCJFLZPLA-SECBINFHSA-N -1 1 300.326 0.268 20 30 DCEDMM CC(C)(O)[C@H]1CCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589328219 1166650079 /nfs/dbraw/zinc/65/00/79/1166650079.db2.gz TYEYUCCJFLZPLA-SECBINFHSA-N -1 1 300.326 0.268 20 30 DCEDMM CC(C)C[C@@H](CCO)CNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001589553328 1166666086 /nfs/dbraw/zinc/66/60/86/1166666086.db2.gz WFRWINGRUVKXRX-SNVBAGLBSA-N -1 1 316.369 0.985 20 30 DCEDMM C[C@@H](CC#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589787917 1166688715 /nfs/dbraw/zinc/68/87/15/1166688715.db2.gz QZNWRLDUDHECCX-ZETCQYMHSA-N -1 1 310.314 0.586 20 30 DCEDMM C[C@H](C[C@@H]1CCOC1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589803607 1166689772 /nfs/dbraw/zinc/68/97/72/1166689772.db2.gz UCLPROCEGPAVQH-BDAKNGLRSA-N -1 1 300.326 0.755 20 30 DCEDMM C[C@H](C[C@@H]1CCOC1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589803607 1166689778 /nfs/dbraw/zinc/68/97/78/1166689778.db2.gz UCLPROCEGPAVQH-BDAKNGLRSA-N -1 1 300.326 0.755 20 30 DCEDMM C[C@@H](CNc1cnc(C#N)c(-c2nn[n-]n2)n1)Cn1cccn1 ZINC001589878615 1166705846 /nfs/dbraw/zinc/70/58/46/1166705846.db2.gz FLGYZISQNHBKSK-VIFPVBQESA-N -1 1 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/nfs/dbraw/zinc/18/54/00/1167185400.db2.gz JWZYRYFSSGTXFV-UHFFFAOYSA-N -1 1 320.334 0.457 20 30 DCEDMM CO[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1 ZINC001591357189 1167231943 /nfs/dbraw/zinc/23/19/43/1167231943.db2.gz VHVKFEMKNMXQMW-JGVFFNPUSA-N -1 1 316.325 0.605 20 30 DCEDMM C[C@@]12COC[C@]1(C)CN(c1cnc(C#N)c(-c3nn[n-]n3)n1)C2 ZINC001591781122 1167376371 /nfs/dbraw/zinc/37/63/71/1167376371.db2.gz ZYFFOAGYPDUVIN-OKILXGFUSA-N -1 1 312.337 0.391 20 30 DCEDMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc(C#N)ccn2)nn1C ZINC001591797932 1167383538 /nfs/dbraw/zinc/38/35/38/1167383538.db2.gz TXNFPKWOJWOLBG-UHFFFAOYSA-N -1 1 309.293 0.428 20 30 DCEDMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc(C#N)ccn2)nn1C ZINC001591797932 1167383540 /nfs/dbraw/zinc/38/35/40/1167383540.db2.gz TXNFPKWOJWOLBG-UHFFFAOYSA-N -1 1 309.293 0.428 20 30 DCEDMM Cc1cc(-c2nnn[n-]2)nc(NCC2(C#N)CCOCC2)n1 ZINC001591896130 1167413556 /nfs/dbraw/zinc/41/35/56/1167413556.db2.gz YJDZEJYLUMOICR-UHFFFAOYSA-N -1 1 300.326 0.697 20 30 DCEDMM Cc1cc(-c2nn[n-]n2)nc(NCC2(C#N)CCOCC2)n1 ZINC001591896130 1167413558 /nfs/dbraw/zinc/41/35/58/1167413558.db2.gz YJDZEJYLUMOICR-UHFFFAOYSA-N -1 1 300.326 0.697 20 30 DCEDMM Cc1cc(C)n(N=Cc2cnc3n2CCC3)c(=O)c1-c1nn[n-]n1 ZINC001591956481 1167425459 /nfs/dbraw/zinc/42/54/59/1167425459.db2.gz DKNZHLLYUCXYMT-UHFFFAOYSA-N -1 1 324.348 0.670 20 30 DCEDMM Cc1cc(N2CCO[C@@H](C#N)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592007473 1167434216 /nfs/dbraw/zinc/43/42/16/1167434216.db2.gz QVTUJZLPYVPBIN-JTQLQIEISA-N -1 1 315.293 0.812 20 30 DCEDMM Cc1cc(N2CCO[C@@H](C#N)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592007473 1167434220 /nfs/dbraw/zinc/43/42/20/1167434220.db2.gz QVTUJZLPYVPBIN-JTQLQIEISA-N -1 1 315.293 0.812 20 30 DCEDMM Cc1nc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccc1C#N ZINC001592350909 1167502979 /nfs/dbraw/zinc/50/29/79/1167502979.db2.gz NYXDWSZEJLGKIF-UHFFFAOYSA-N -1 1 309.293 0.428 20 30 DCEDMM Cc1nc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccc1C#N ZINC001592350909 1167502985 /nfs/dbraw/zinc/50/29/85/1167502985.db2.gz NYXDWSZEJLGKIF-UHFFFAOYSA-N -1 1 309.293 0.428 20 30 DCEDMM Cc1nn(Cc2ccc(C#N)cn2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437455 1167523644 /nfs/dbraw/zinc/52/36/44/1167523644.db2.gz HBRGDHFJNDTJRJ-UHFFFAOYSA-N -1 1 308.305 0.355 20 30 DCEDMM N#C[C@@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCCOC1 ZINC001592666498 1167592513 /nfs/dbraw/zinc/59/25/13/1167592513.db2.gz GBSZKUURMVTQNA-AWEZNQCLSA-N -1 1 314.305 0.831 20 30 DCEDMM N#CC1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001592670042 1167594363 /nfs/dbraw/zinc/59/43/63/1167594363.db2.gz RDNVDQZHOKRQTQ-UHFFFAOYSA-N -1 1 322.325 0.588 20 30 DCEDMM N#CC1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001592670042 1167594368 /nfs/dbraw/zinc/59/43/68/1167594368.db2.gz RDNVDQZHOKRQTQ-UHFFFAOYSA-N -1 1 322.325 0.588 20 30 DCEDMM N#CC1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CCOCC1 ZINC001592670080 1167594694 /nfs/dbraw/zinc/59/46/94/1167594694.db2.gz SIMBOYCFBDBVIN-UHFFFAOYSA-N -1 1 302.294 0.510 20 30 DCEDMM 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