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1.146 20 30 CDEDMM C[C@H]1CCC(=CC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1 ZINC000820676467 606825820 /nfs/dbraw/zinc/82/58/20/606825820.db2.gz NHRMRSFGJKFZNN-BJMRUTCWSA-N -1 1 298.310 1.146 20 30 CDEDMM Cn1nccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826366385 608092785 /nfs/dbraw/zinc/09/27/85/608092785.db2.gz FZTLANKLCZUVJA-NSCUHMNNSA-N -1 1 286.320 1.558 20 30 CDEDMM Cn1nccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826366385 608092786 /nfs/dbraw/zinc/09/27/86/608092786.db2.gz FZTLANKLCZUVJA-NSCUHMNNSA-N -1 1 286.320 1.558 20 30 CDEDMM Cc1ccc(N=NCc2ccc(-c3nn[n-]n3)s2)nn1 ZINC000822258925 618539013 /nfs/dbraw/zinc/53/90/13/618539013.db2.gz HOYRVZYVEYRKDK-UHFFFAOYSA-N -1 1 286.324 1.473 20 30 CDEDMM C=CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000909516725 619579842 /nfs/dbraw/zinc/57/98/42/619579842.db2.gz OURSKSVJPRUNNE-GXSJLCMTSA-N -1 1 277.324 1.175 20 30 CDEDMM C#C[C@](C)(CC)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908529458 628243610 /nfs/dbraw/zinc/24/36/10/628243610.db2.gz NLQMGZPMQPPFMQ-CQSZACIVSA-N -1 1 259.309 1.591 20 30 CDEDMM CN(C)CC#CCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000913519173 630524026 /nfs/dbraw/zinc/52/40/26/630524026.db2.gz QXUHBWDFQNJRFI-UHFFFAOYSA-N -1 1 289.360 1.411 20 30 CDEDMM O=c1cn[n-]c(=S)n1N=Cc1coc2ccccc12 ZINC000766473352 631854809 /nfs/dbraw/zinc/85/48/09/631854809.db2.gz DSSVWKFSJXELRL-UHFFFAOYSA-N -1 1 272.289 1.555 20 30 CDEDMM N#CC1(c2ccnc(Nc3[n-]c(=O)nc4nc[nH]c43)c2)CC1 ZINC001170227275 1162316458 /nfs/dbraw/zinc/31/64/58/1162316458.db2.gz KEHWPPBSJOBBGP-UHFFFAOYSA-N -1 1 293.290 1.752 20 30 CDEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2)o1 ZINC000805009955 1162529245 /nfs/dbraw/zinc/52/92/45/1162529245.db2.gz ZMRQYRQLXCYGOR-LBPRGKRZSA-N -1 1 292.316 1.163 20 30 CDEDMM C=CCO[C@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC001602906779 1175448273 /nfs/dbraw/zinc/44/82/73/1175448273.db2.gz NMAHVYWXNYVZEX-NSHDSACASA-N -1 1 250.298 1.490 20 30 CDEDMM Cc1ccc(CN(C)c2cnc(-c3nnn[n-]3)c(C#N)n2)o1 ZINC001605846412 1163686715 /nfs/dbraw/zinc/68/67/15/1163686715.db2.gz JFUJUYXCJKGARL-UHFFFAOYSA-N -1 1 296.294 1.066 20 30 CDEDMM Cc1ccc(CN(C)c2cnc(-c3nn[n-]n3)c(C#N)n2)o1 ZINC001605846412 1163686719 /nfs/dbraw/zinc/68/67/19/1163686719.db2.gz JFUJUYXCJKGARL-UHFFFAOYSA-N -1 1 296.294 1.066 20 30 CDEDMM CN(C)c1ccc(C#N)cc1CN[C@H](CF)C(=O)[O-] ZINC001606051591 1163757485 /nfs/dbraw/zinc/75/74/85/1163757485.db2.gz HRZYMPQAOVNFIQ-LLVKDONJSA-N -1 1 265.288 1.137 20 30 CDEDMM N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001606344620 1163868687 /nfs/dbraw/zinc/86/86/87/1163868687.db2.gz PEJQZGBMUXSXIU-BDAKNGLRSA-N -1 1 287.279 1.699 20 30 CDEDMM N#Cc1ccc(F)c(COc2cccnc2-c2nnn[n-]2)c1 ZINC001606368707 1163880976 /nfs/dbraw/zinc/88/09/76/1163880976.db2.gz FMABUAFZTSGJRZ-UHFFFAOYSA-N -1 1 296.265 1.851 20 30 CDEDMM N#Cc1ccc(F)c(COc2cccnc2-c2nn[n-]n2)c1 ZINC001606368707 1163880981 /nfs/dbraw/zinc/88/09/81/1163880981.db2.gz FMABUAFZTSGJRZ-UHFFFAOYSA-N -1 1 296.265 1.851 20 30 CDEDMM N#Cc1nccc(Sc2cccc(F)c2-c2nn[n-]n2)n1 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C=CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609054941 1164750137 /nfs/dbraw/zinc/75/01/37/1164750137.db2.gz MNSLRPQRPYUKTJ-UHFFFAOYSA-N -1 1 299.381 1.173 20 30 CDEDMM Cc1ccc(C(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC001609417955 1164939844 /nfs/dbraw/zinc/93/98/44/1164939844.db2.gz RBGDXOOBRUNEDM-UHFFFAOYSA-N -1 1 293.290 1.126 20 30 CDEDMM N#Cc1ccc(C(=O)N2CC[C@@]3(CCOC3=O)C2)cc1[O-] ZINC001646629473 1167995538 /nfs/dbraw/zinc/99/55/38/1167995538.db2.gz GABDBSKACJBXSV-OAHLLOKOSA-N -1 1 286.287 1.043 20 30 CDEDMM C#C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001588330108 1173033333 /nfs/dbraw/zinc/03/33/33/1173033333.db2.gz VAWIGVPURDTVOT-SNVBAGLBSA-N -1 1 299.338 1.431 20 30 CDEDMM C#C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588330108 1173033339 /nfs/dbraw/zinc/03/33/39/1173033339.db2.gz VAWIGVPURDTVOT-SNVBAGLBSA-N -1 1 299.338 1.431 20 30 CDEDMM C=CCC1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCC1 ZINC001588556607 1173079443 /nfs/dbraw/zinc/07/94/43/1173079443.db2.gz 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/nfs/dbraw/zinc/90/87/46/1173908746.db2.gz SEKJSVPRMHCVTL-LURJTMIESA-N -1 1 261.241 1.085 20 30 CDEDMM N#CCC1(OC(=O)c2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001592673498 1173962748 /nfs/dbraw/zinc/96/27/48/1173962748.db2.gz GGMATCQFNUJHNS-UHFFFAOYSA-N -1 1 289.320 1.921 20 30 CDEDMM N#CCC1(OC(=O)c2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001592673498 1173962753 /nfs/dbraw/zinc/96/27/53/1173962753.db2.gz GGMATCQFNUJHNS-UHFFFAOYSA-N -1 1 289.320 1.921 20 30 CDEDMM C#CCC1(NCc2ncc(C(=O)[O-])s2)CCC1 ZINC001602699997 1175363574 /nfs/dbraw/zinc/36/35/74/1175363574.db2.gz OEOILMWXYGBXKM-UHFFFAOYSA-N -1 1 250.323 1.877 20 30 CDEDMM C=CCCC[C@@H](NC(=O)CCN1CC[C@H](F)C1)C(=O)[O-] ZINC001602865209 1175440278 /nfs/dbraw/zinc/44/02/78/1175440278.db2.gz GEXNMQIUAXVMIB-NWDGAFQWSA-N -1 1 286.347 1.346 20 30 CDEDMM CC(C)[C@H](C)Sc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603211364 1175515833 /nfs/dbraw/zinc/51/58/33/1175515833.db2.gz PNGPAPUSUBPJIK-ZETCQYMHSA-N -1 1 275.341 1.665 20 30 CDEDMM C[C@H]1CCCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1 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COC[C@](C)(CC(=O)[O-])NCc1cc(C#N)cnc1Cl ZINC001606785794 1163993259 /nfs/dbraw/zinc/99/32/59/1163993259.db2.gz YOEFCOUNRVIZII-ZDUSSCGKSA-N -1 1 297.742 1.576 20 30 CDEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC3(C2)OCCO3)c1 ZINC000776356385 735377389 /nfs/dbraw/zinc/37/73/89/735377389.db2.gz BOBDTADJIZXOET-UHFFFAOYSA-N -1 1 288.303 1.243 20 30 CDEDMM C#CCOC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801417041 735410411 /nfs/dbraw/zinc/41/04/11/735410411.db2.gz XRUSVDLPRROIMP-UHFFFAOYSA-N -1 1 270.288 1.985 20 30 CDEDMM C=CCO[N-]C(=O)[C@@H]1CC(=O)N(C(CC)CC)C1 ZINC000837043346 735768835 /nfs/dbraw/zinc/76/88/35/735768835.db2.gz AKMXEXWHHUUXPS-SNVBAGLBSA-N -1 1 254.330 1.257 20 30 CDEDMM C=C[C@H](C)ONC(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000844667501 735939569 /nfs/dbraw/zinc/93/95/69/735939569.db2.gz PVSZHDRSKXACES-BQBZGAKWSA-N -1 1 272.330 1.873 20 30 CDEDMM C[C@H](C#N)OCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000801849345 736073829 /nfs/dbraw/zinc/07/38/29/736073829.db2.gz IRMQGLLPPHISLY-MRVPVSSYSA-N -1 1 280.236 1.386 20 30 CDEDMM Cc1ccc(C=NNc2nc(C)cc(=O)[n-]2)c(O)c1 ZINC000864178782 736200776 /nfs/dbraw/zinc/20/07/76/736200776.db2.gz CEOOIGXNKIPLPQ-UHFFFAOYSA-N -1 1 258.281 1.951 20 30 CDEDMM N#C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCCC1 ZINC000921549079 733235565 /nfs/dbraw/zinc/23/55/65/733235565.db2.gz NKGPBRXMCKKEBH-ZDUSSCGKSA-N -1 1 272.304 1.773 20 30 CDEDMM COc1ccc(Cl)c(Cn2ccc(C=N[O-])nc2=O)c1 ZINC000790505660 733306928 /nfs/dbraw/zinc/30/69/28/733306928.db2.gz GCEYKCSCSLQXDK-UHFFFAOYSA-N -1 1 293.710 1.762 20 30 CDEDMM O=S1(=O)[N-]C(=NN=C2CCC[C@H]3C[C@@H]23)c2ccccc21 ZINC000800809567 733352288 /nfs/dbraw/zinc/35/22/88/733352288.db2.gz CEHJFMCQMPYUMG-GXSJLCMTSA-N -1 1 289.360 1.901 20 30 CDEDMM C#C[C@@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000785422006 733389016 /nfs/dbraw/zinc/38/90/16/733389016.db2.gz YPAYBFOAULOVAE-SSDOTTSWSA-N -1 1 253.685 1.806 20 30 CDEDMM C#CCCCS(=O)(=O)[N-]c1ncccc1CC ZINC000840945800 733640964 /nfs/dbraw/zinc/64/09/64/733640964.db2.gz 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C=C(C)[C@H]1OCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC001609050944 1164743416 /nfs/dbraw/zinc/74/34/16/1164743416.db2.gz IVOHPPCSJAHMRJ-ZWNOBZJWSA-N -1 1 286.339 1.655 20 30 CDEDMM CCC(CC)CNN=Cc1cccc(-c2nnn[n-]2)n1 ZINC001609189080 1164829153 /nfs/dbraw/zinc/82/91/53/1164829153.db2.gz JRTDAWBLSSHAIN-UHFFFAOYSA-N -1 1 273.344 1.621 20 30 CDEDMM CCC(CC)CNN=Cc1cccc(-c2nn[n-]n2)n1 ZINC001609189080 1164829162 /nfs/dbraw/zinc/82/91/62/1164829162.db2.gz JRTDAWBLSSHAIN-UHFFFAOYSA-N -1 1 273.344 1.621 20 30 CDEDMM COC(C)(C)CC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000867727899 1164860844 /nfs/dbraw/zinc/86/08/44/1164860844.db2.gz QBITXTQRUJLQKA-UHFFFAOYSA-N -1 1 272.326 1.245 20 30 CDEDMM CCc1ccccc1Cn1cnc(C#N)c1-c1nn[n-]n1 ZINC001609253452 1164866127 /nfs/dbraw/zinc/86/61/27/1164866127.db2.gz NZZKJWXGQLGPSA-UHFFFAOYSA-N -1 1 279.307 1.546 20 30 CDEDMM C=C[C@@H](C(=O)[O-])N1CCCN(CC(F)(F)F)CC1 ZINC001609264512 1164871492 /nfs/dbraw/zinc/87/14/92/1164871492.db2.gz RUHOMKYNTZQEPT-VIFPVBQESA-N -1 1 266.263 1.196 20 30 CDEDMM N#Cc1ccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(Cl)c1 ZINC001610628003 1165385892 /nfs/dbraw/zinc/38/58/92/1165385892.db2.gz LRHKVJMZWZUNEO-PJXYFTJBSA-N -1 1 276.723 1.974 20 30 CDEDMM N#Cc1ccc(NC(=O)c2ccc3nccn3n2)c([O-])c1 ZINC001151723028 1167089763 /nfs/dbraw/zinc/08/97/63/1167089763.db2.gz MBUWXMBMLPODPK-UHFFFAOYSA-N -1 1 279.259 1.559 20 30 CDEDMM C#CCCCCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588346123 1173046656 /nfs/dbraw/zinc/04/66/56/1173046656.db2.gz YAJSJURUAMVJRR-UHFFFAOYSA-N -1 1 285.307 1.612 20 30 CDEDMM C#CCCCCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588346123 1173046662 /nfs/dbraw/zinc/04/66/62/1173046662.db2.gz YAJSJURUAMVJRR-UHFFFAOYSA-N -1 1 285.307 1.612 20 30 CDEDMM C=CCCCN(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001588602009 1173085177 /nfs/dbraw/zinc/08/51/77/1173085177.db2.gz YAEGWSFVKVGYDN-UHFFFAOYSA-N -1 1 272.312 1.300 20 30 CDEDMM C=CCCCN(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001588602009 1173085182 /nfs/dbraw/zinc/08/51/82/1173085182.db2.gz YAEGWSFVKVGYDN-UHFFFAOYSA-N -1 1 272.312 1.300 20 30 CDEDMM C[C@@H](C#N)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001588934223 1173114668 /nfs/dbraw/zinc/11/46/68/1173114668.db2.gz GRQDMRGZAJWHPY-ZETCQYMHSA-N -1 1 273.256 1.346 20 30 CDEDMM C[C@@H](C#N)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001588934223 1173114674 /nfs/dbraw/zinc/11/46/74/1173114674.db2.gz GRQDMRGZAJWHPY-ZETCQYMHSA-N -1 1 273.256 1.346 20 30 CDEDMM CC(C)(CNc1cnc(-c2nnn[n-]2)c(C#N)n1)C1CCC1 ZINC001589293049 1173133372 /nfs/dbraw/zinc/13/33/72/1173133372.db2.gz OAKGAHJCDWNVAY-UHFFFAOYSA-N -1 1 298.354 1.767 20 30 CDEDMM CC(C)(CNc1cnc(-c2nn[n-]n2)c(C#N)n1)C1CCC1 ZINC001589293049 1173133380 /nfs/dbraw/zinc/13/33/80/1173133380.db2.gz OAKGAHJCDWNVAY-UHFFFAOYSA-N -1 1 298.354 1.767 20 30 CDEDMM CCC(C)(C)[C@H](C)Nc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590373550 1173381758 /nfs/dbraw/zinc/38/17/58/1173381758.db2.gz NVBLEBZZJXLSBQ-QMMMGPOBSA-N -1 1 286.343 1.765 20 30 CDEDMM CC[C@H](C)CCNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590409897 1173397138 /nfs/dbraw/zinc/39/71/38/1173397138.db2.gz IUDQSKGIMWWTPO-QMMMGPOBSA-N -1 1 272.316 1.376 20 30 CDEDMM CC[C@H](C)CCNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590409897 1173397141 /nfs/dbraw/zinc/39/71/41/1173397141.db2.gz IUDQSKGIMWWTPO-QMMMGPOBSA-N -1 1 272.316 1.376 20 30 CDEDMM Cc1ccc(-c2nnn[n-]2)nc1NCC1(C#N)CCC1 ZINC001592114660 1173804496 /nfs/dbraw/zinc/80/44/96/1173804496.db2.gz SKZDLTWFZOCLSK-UHFFFAOYSA-N -1 1 269.312 1.676 20 30 CDEDMM Cc1ccc(-c2nn[n-]n2)nc1NCC1(C#N)CCC1 ZINC001592114660 1173804500 /nfs/dbraw/zinc/80/45/00/1173804500.db2.gz SKZDLTWFZOCLSK-UHFFFAOYSA-N -1 1 269.312 1.676 20 30 CDEDMM Cc1ccc(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)s1 ZINC001592167396 1173821018 /nfs/dbraw/zinc/82/10/18/1173821018.db2.gz ISVJVXZJEJUXKS-UHFFFAOYSA-N -1 1 298.335 1.510 20 30 CDEDMM Cc1ccc(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)s1 ZINC001592167396 1173821023 /nfs/dbraw/zinc/82/10/23/1173821023.db2.gz ISVJVXZJEJUXKS-UHFFFAOYSA-N -1 1 298.335 1.510 20 30 CDEDMM N#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592681442 1173968665 /nfs/dbraw/zinc/96/86/65/1173968665.db2.gz VMXPQIOLMWWSLV-JOYOIKCWSA-N -1 1 298.306 1.501 20 30 CDEDMM N#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592681442 1173968667 /nfs/dbraw/zinc/96/86/67/1173968667.db2.gz VMXPQIOLMWWSLV-JOYOIKCWSA-N -1 1 298.306 1.501 20 30 CDEDMM N#Cc1cccc(OCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001592700209 1173974355 /nfs/dbraw/zinc/97/43/55/1173974355.db2.gz KMJOPFCPLVMIJB-UHFFFAOYSA-N -1 1 284.304 1.774 20 30 CDEDMM N#Cc1cccc(OCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001592700209 1173974358 /nfs/dbraw/zinc/97/43/58/1173974358.db2.gz KMJOPFCPLVMIJB-UHFFFAOYSA-N -1 1 284.304 1.774 20 30 CDEDMM N#Cc1ccc(OC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001592697466 1173974718 /nfs/dbraw/zinc/97/47/18/1173974718.db2.gz YGVUBXNFSMCNFV-UHFFFAOYSA-N -1 1 281.231 1.551 20 30 CDEDMM N#Cc1ccc(OC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001592697466 1173974724 /nfs/dbraw/zinc/97/47/24/1173974724.db2.gz YGVUBXNFSMCNFV-UHFFFAOYSA-N -1 1 281.231 1.551 20 30 CDEDMM N#Cc1nc(Sc2cccc(O)c2)cnc1-c1nn[n-]n1 ZINC001592707534 1173978312 /nfs/dbraw/zinc/97/83/12/1173978312.db2.gz KIFGDSSFVFYIMO-UHFFFAOYSA-N -1 1 297.303 1.385 20 30 CDEDMM N#Cc1ncn(CC2(C#N)CCCC2)c1-c1nn[n-]n1 ZINC001592710364 1173980096 /nfs/dbraw/zinc/98/00/96/1173980096.db2.gz WFHPVRTYOYVDMG-UHFFFAOYSA-N -1 1 268.284 1.019 20 30 CDEDMM N#Cc1ccc(NC(=O)CN2CC3CC2(C(=O)[O-])C3)cc1 ZINC001601106852 1174746299 /nfs/dbraw/zinc/74/62/99/1174746299.db2.gz HEADHSFLKWFMFI-UHFFFAOYSA-N -1 1 285.303 1.046 20 30 CDEDMM C#CC(C)(C)N(C)Cc1nc(-c2nnn[n-]2)cs1 ZINC001602690227 1175355016 /nfs/dbraw/zinc/35/50/16/1175355016.db2.gz SIZAOQXSDVXHBP-UHFFFAOYSA-N -1 1 262.342 1.167 20 30 CDEDMM C#CC(C)(C)N(C)Cc1nc(-c2nn[n-]n2)cs1 ZINC001602690227 1175355020 /nfs/dbraw/zinc/35/50/20/1175355020.db2.gz SIZAOQXSDVXHBP-UHFFFAOYSA-N -1 1 262.342 1.167 20 30 CDEDMM C#Cc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001602741694 1175380056 /nfs/dbraw/zinc/38/00/56/1175380056.db2.gz VUTWURHZCGPNEI-UHFFFAOYSA-N -1 1 279.259 1.693 20 30 CDEDMM C#Cc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001602741694 1175380059 /nfs/dbraw/zinc/38/00/59/1175380059.db2.gz VUTWURHZCGPNEI-UHFFFAOYSA-N -1 1 279.259 1.693 20 30 CDEDMM C(=Nn1cnc2ccccc21)c1nc(-c2nnn[n-]2)cs1 ZINC001602746402 1175383993 /nfs/dbraw/zinc/38/39/93/1175383993.db2.gz LWGTYSOFSLLIKA-UHFFFAOYSA-N -1 1 296.319 1.555 20 30 CDEDMM C(=Nn1cnc2ccccc21)c1nc(-c2nn[n-]n2)cs1 ZINC001602746402 1175384000 /nfs/dbraw/zinc/38/40/00/1175384000.db2.gz LWGTYSOFSLLIKA-UHFFFAOYSA-N -1 1 296.319 1.555 20 30 CDEDMM CC(C)[C@@H](C)Sc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603211363 1175515095 /nfs/dbraw/zinc/51/50/95/1175515095.db2.gz PNGPAPUSUBPJIK-SSDOTTSWSA-N -1 1 275.341 1.665 20 30 CDEDMM CC(C)[C@H]1N(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1(C)C ZINC001603253305 1175525801 /nfs/dbraw/zinc/52/58/01/1175525801.db2.gz OGJSQFVVUALVKG-GFCCVEGCSA-N -1 1 298.354 1.399 20 30 CDEDMM CC(C)[C@H]1N(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1(C)C ZINC001603253305 1175525806 /nfs/dbraw/zinc/52/58/06/1175525806.db2.gz OGJSQFVVUALVKG-GFCCVEGCSA-N -1 1 298.354 1.399 20 30 CDEDMM CC(C)[C@H]1CCCN1c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001603245222 1175526631 /nfs/dbraw/zinc/52/66/31/1175526631.db2.gz GPYCIGFKUNSYIW-SNVBAGLBSA-N -1 1 284.327 1.153 20 30 CDEDMM CC(C)[C@H]1N(c2cnc(C#N)c(-c3nn[n-]n3)n2)CC1(C)C ZINC001603253284 1175526678 /nfs/dbraw/zinc/52/66/78/1175526678.db2.gz OBZZPKJQUBWRLJ-GFCCVEGCSA-N -1 1 298.354 1.399 20 30 CDEDMM CC(C)ON=C1CCCc2c1c[nH]c(=O)c2-c1nn[n-]n1 ZINC001603357695 1175547261 /nfs/dbraw/zinc/54/72/61/1175547261.db2.gz XGQJBDMOXODYQU-UHFFFAOYSA-N -1 1 288.311 1.433 20 30 CDEDMM FC(F)(F)CCNN=Cc1cccc(-c2nnn[n-]2)n1 ZINC001606287159 1163838273 /nfs/dbraw/zinc/83/82/73/1163838273.db2.gz AKYMAJMZNCGKLC-UHFFFAOYSA-N -1 1 285.233 1.138 20 30 CDEDMM FC(F)(F)CCNN=Cc1cccc(-c2nn[n-]n2)n1 ZINC001606287159 1163838279 /nfs/dbraw/zinc/83/82/79/1163838279.db2.gz AKYMAJMZNCGKLC-UHFFFAOYSA-N -1 1 285.233 1.138 20 30 CDEDMM O=C([N-]CCC1=NN/C(=N/C2CC2)SC1)C(F)(F)F ZINC000864344108 1164529021 /nfs/dbraw/zinc/52/90/21/1164529021.db2.gz HDMOQYOFFNXHTQ-UHFFFAOYSA-N -1 1 294.302 1.266 20 30 CDEDMM C[C@H]1CC2(CC(NC(=O)c3cc([O-])cc(C#N)c3)C2)CO1 ZINC000888723291 1165840912 /nfs/dbraw/zinc/84/09/12/1165840912.db2.gz FCBRVLOHRFUCAV-UFRSZFPASA-N -1 1 286.331 1.951 20 30 CDEDMM N#Cc1ccc(O)c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000175686146 915057023 /nfs/dbraw/zinc/05/70/23/915057023.db2.gz LPTGDXLYRAMROU-SNVBAGLBSA-N -1 1 282.321 1.185 20 30 CDEDMM CO/N=C(\C(=O)Nc1ccc(C#N)cc1[O-])c1ccco1 ZINC001177352218 914635536 /nfs/dbraw/zinc/63/55/36/914635536.db2.gz LQIIERHAGIJCFO-LGMDPLHJSA-N -1 1 285.259 1.846 20 30 CDEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC1CN(C(C)=O)C1 ZINC001227120558 906062826 /nfs/dbraw/zinc/06/28/26/906062826.db2.gz NVYQMGFILBOQFH-UHFFFAOYSA-N -1 1 289.331 1.933 20 30 CDEDMM C[C@@H](CNC(=O)c1ncccc1[O-])Nc1ncccc1C#N ZINC001097765777 936376716 /nfs/dbraw/zinc/37/67/16/936376716.db2.gz XVUDAFPDOFRIRT-JTQLQIEISA-N -1 1 297.318 1.284 20 30 CDEDMM CC(=O)C[C@H](C)C(=O)N([O-])C(=N)c1ccccc1N ZINC001181253566 916922613 /nfs/dbraw/zinc/92/26/13/916922613.db2.gz BOFREZLKUDIKRL-QMMMGPOBSA-N -1 1 263.297 1.427 20 30 CDEDMM C[C@H](CNc1ncccc1C#N)NC(=O)c1ncccc1[O-] ZINC001107690193 918632640 /nfs/dbraw/zinc/63/26/40/918632640.db2.gz MTWZGYUHXWZWRY-SNVBAGLBSA-N -1 1 297.318 1.284 20 30 CDEDMM CCCC#CC(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001184269381 919007804 /nfs/dbraw/zinc/00/78/04/919007804.db2.gz SEXZPBWQLGOZCV-UHFFFAOYSA-N -1 1 250.214 1.028 20 30 CDEDMM C[C@@H](NN=C1C(=O)Nc2cc([O-])c(F)cc21)C(F)(F)F ZINC000834999031 936712329 /nfs/dbraw/zinc/71/23/29/936712329.db2.gz PORKSNYSESNPQV-SCSAIBSYSA-N -1 1 291.204 1.728 20 30 CDEDMM N#Cc1ccc(F)c(NS(=O)(=O)c2ncc[n-]2)c1 ZINC001190721668 922156050 /nfs/dbraw/zinc/15/60/50/922156050.db2.gz LPKDUXMTTVRJHC-UHFFFAOYSA-N -1 1 266.257 1.221 20 30 CDEDMM C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ncccc2[O-])C1 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COc1ccc(CCn2cnc(C#N)c2-c2nn[n-]n2)cc1 ZINC000826192191 679564328 /nfs/dbraw/zinc/56/43/28/679564328.db2.gz CWXVJYZCVUBGEP-UHFFFAOYSA-N -1 1 295.306 1.186 20 30 CDEDMM C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001032368864 679575739 /nfs/dbraw/zinc/57/57/39/679575739.db2.gz KGJRCCILTIZYQG-RYUDHWBXSA-N -1 1 273.336 1.262 20 30 CDEDMM N#Cc1ccc(Cl)nc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170222489 1162313199 /nfs/dbraw/zinc/31/31/99/1162313199.db2.gz FCKGDBUGORSLPY-UHFFFAOYSA-N -1 1 287.670 1.722 20 30 CDEDMM C=CCOCCCOC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001602870507 1175439278 /nfs/dbraw/zinc/43/92/78/1175439278.db2.gz LJRQOCHSDQWBJL-UHFFFAOYSA-N -1 1 292.295 1.518 20 30 CDEDMM C=CCOCCCOC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001602870507 1175439283 /nfs/dbraw/zinc/43/92/83/1175439283.db2.gz LJRQOCHSDQWBJL-UHFFFAOYSA-N -1 1 292.295 1.518 20 30 CDEDMM COC(=O)n1ncc(C#N)c1[N-]c1ncnc2ccoc21 ZINC001169962756 1162021597 /nfs/dbraw/zinc/02/15/97/1162021597.db2.gz XOFLFSGJTWBHJW-UHFFFAOYSA-N -1 1 284.235 1.649 20 30 CDEDMM C#CC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000844046497 1164243348 /nfs/dbraw/zinc/24/33/48/1164243348.db2.gz BFASVDFHUFQGBO-UHFFFAOYSA-N -1 1 254.289 1.749 20 30 CDEDMM N#Cc1ccc2nc(NC(=O)c3cc(C(=O)[O-])co3)[nH]c2c1 ZINC001608213516 1164454289 /nfs/dbraw/zinc/45/42/89/1164454289.db2.gz OSBLMNBUMITCCF-UHFFFAOYSA-N -1 1 296.242 1.978 20 30 CDEDMM CC(C)OC(=O)C(C)(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC001650069374 1169683987 /nfs/dbraw/zinc/68/39/87/1169683987.db2.gz OJWOIVQPZJRVRA-UHFFFAOYSA-N -1 1 290.319 1.724 20 30 CDEDMM CCN1C[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1=O ZINC000073719273 1171991557 /nfs/dbraw/zinc/99/15/57/1171991557.db2.gz TYJMCAUZCXUBNT-YFKPBYRVSA-N -1 1 291.233 1.280 20 30 CDEDMM N#CCc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC001581859828 1172624205 /nfs/dbraw/zinc/62/42/05/1172624205.db2.gz XSTQOVYJDXDLLN-UHFFFAOYSA-N -1 1 278.279 1.466 20 30 CDEDMM N#CCc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC001581859828 1172624212 /nfs/dbraw/zinc/62/42/12/1172624212.db2.gz XSTQOVYJDXDLLN-UHFFFAOYSA-N -1 1 278.279 1.466 20 30 CDEDMM C#C[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588325633 1173025646 /nfs/dbraw/zinc/02/56/46/1173025646.db2.gz QXYSPMRDOVGGKA-ZETCQYMHSA-N -1 1 290.714 1.009 20 30 CDEDMM C#CC[C@H](COC)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001588334428 1173040209 /nfs/dbraw/zinc/04/02/09/1173040209.db2.gz XELCQLGZTXYADB-ZCFIWIBFSA-N -1 1 298.759 1.427 20 30 CDEDMM C#CC[C@H](COC)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001588334428 1173040215 /nfs/dbraw/zinc/04/02/15/1173040215.db2.gz XELCQLGZTXYADB-ZCFIWIBFSA-N -1 1 298.759 1.427 20 30 CDEDMM C#CCOc1cccc(Oc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001588363049 1173052739 /nfs/dbraw/zinc/05/27/39/1173052739.db2.gz HREGLYIVQCXXPR-UHFFFAOYSA-N -1 1 294.274 1.461 20 30 CDEDMM C=CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001588527084 1173073870 /nfs/dbraw/zinc/07/38/70/1173073870.db2.gz AWSJYUBNCIZIJN-UHFFFAOYSA-N -1 1 273.296 1.498 20 30 CDEDMM C=CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001588527084 1173073878 /nfs/dbraw/zinc/07/38/78/1173073878.db2.gz AWSJYUBNCIZIJN-UHFFFAOYSA-N -1 1 273.296 1.498 20 30 CDEDMM CC(=NN[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)s1 ZINC001588776169 1173105063 /nfs/dbraw/zinc/10/50/63/1173105063.db2.gz BCFPBEAGDXDGGT-MRVPVSSYSA-N -1 1 278.341 1.031 20 30 CDEDMM C[C@H](C#N)OCCSCc1ccc(-c2nnn[n-]2)o1 ZINC001588934794 1173117005 /nfs/dbraw/zinc/11/70/05/1173117005.db2.gz VRYVGWZOUPGHNV-MRVPVSSYSA-N -1 1 279.325 1.622 20 30 CDEDMM C[C@H](C#N)OCCSCc1ccc(-c2nn[n-]n2)o1 ZINC001588934794 1173117009 /nfs/dbraw/zinc/11/70/09/1173117009.db2.gz VRYVGWZOUPGHNV-MRVPVSSYSA-N -1 1 279.325 1.622 20 30 CDEDMM CC(C)(C)SCCCn1cnc(C#N)c1-c1nn[n-]n1 ZINC001589208887 1173128160 /nfs/dbraw/zinc/12/81/60/1173128160.db2.gz HGJXKXVMXVQJHG-UHFFFAOYSA-N -1 1 291.384 1.857 20 30 CDEDMM CC(C)(CC#N)CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589266892 1173131924 /nfs/dbraw/zinc/13/19/24/1173131924.db2.gz BQWMJICBBAXXJG-UHFFFAOYSA-N -1 1 290.352 1.598 20 30 CDEDMM CC(C)(CC#N)CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589266892 1173131927 /nfs/dbraw/zinc/13/19/27/1173131927.db2.gz BQWMJICBBAXXJG-UHFFFAOYSA-N -1 1 290.352 1.598 20 30 CDEDMM C[C@H]1CCC[C@@H](CNc2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001590241207 1173315319 /nfs/dbraw/zinc/31/53/19/1173315319.db2.gz GNSIMIITOQSKAU-VHSXEESVSA-N -1 1 298.354 1.767 20 30 CDEDMM CC[C@@H](CC#N)NCc1cccc(-c2nn[n-]n2)n1 ZINC001590419113 1173401853 /nfs/dbraw/zinc/40/18/53/1173401853.db2.gz CRIQHIJJFWWKNY-VIFPVBQESA-N -1 1 257.301 1.044 20 30 CDEDMM C[C@H](Nc1cnc(C#N)c(-c2nn[n-]n2)n1)C1CCCC1 ZINC001591770099 1173697471 /nfs/dbraw/zinc/69/74/71/1173697471.db2.gz JPQGYXGMHIYGHM-QMMMGPOBSA-N -1 1 284.327 1.519 20 30 CDEDMM N#CCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592678545 1173967789 /nfs/dbraw/zinc/96/77/89/1173967789.db2.gz ZOSJVOYXGJZPKD-UHFFFAOYSA-N -1 1 259.229 1.100 20 30 CDEDMM N#CCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592678545 1173967791 /nfs/dbraw/zinc/96/77/91/1173967791.db2.gz ZOSJVOYXGJZPKD-UHFFFAOYSA-N -1 1 259.229 1.100 20 30 CDEDMM N#Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001592696707 1173973478 /nfs/dbraw/zinc/97/34/78/1173973478.db2.gz CCGVHWJAYQJPKY-UHFFFAOYSA-N -1 1 281.231 1.551 20 30 CDEDMM N#Cc1ncc(Sc2cccc(O)c2)nc1-c1nn[n-]n1 ZINC001592708868 1173979851 /nfs/dbraw/zinc/97/98/51/1173979851.db2.gz WVZKKENQRKWFIU-UHFFFAOYSA-N -1 1 297.303 1.385 20 30 CDEDMM N#Cc1nc(C(=O)[O-])ccc1NCc1ccc2cncn2c1 ZINC001601134287 1174758027 /nfs/dbraw/zinc/75/80/27/1174758027.db2.gz FTYXSXBZOKJUGR-UHFFFAOYSA-N -1 1 293.286 1.911 20 30 CDEDMM C=C[C@@H](C(=O)[O-])N1CCc2c(cccc2C(=O)OC)C1 ZINC001602805831 1175408839 /nfs/dbraw/zinc/40/88/39/1175408839.db2.gz KVJATXOJHIQJQM-ZDUSSCGKSA-N -1 1 275.304 1.471 20 30 CDEDMM CC(C)(C#N)c1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001603230686 1175520040 /nfs/dbraw/zinc/52/00/40/1175520040.db2.gz VCWUCKVNQCEAGU-KGLIPLIRSA-N -1 1 288.347 1.508 20 30 CDEDMM CC(C)[C@H]1CCCN1c1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001603246020 1175526732 /nfs/dbraw/zinc/52/67/32/1175526732.db2.gz OSGVPLAFIJQYKS-SNVBAGLBSA-N -1 1 284.327 1.153 20 30 CDEDMM CC(C)[C@H]1CCCN1c1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001603246020 1175526737 /nfs/dbraw/zinc/52/67/37/1175526737.db2.gz OSGVPLAFIJQYKS-SNVBAGLBSA-N -1 1 284.327 1.153 20 30 CDEDMM C[C@]1(C#N)CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603736850 1175611843 /nfs/dbraw/zinc/61/18/43/1175611843.db2.gz PFLZXBCYFSNXFP-CYBMUJFWSA-N -1 1 299.294 1.515 20 30 CDEDMM C[C@]1(C#N)CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603736850 1175611847 /nfs/dbraw/zinc/61/18/47/1175611847.db2.gz PFLZXBCYFSNXFP-CYBMUJFWSA-N -1 1 299.294 1.515 20 30 CDEDMM C[C@H]1CCCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001603898952 1175678122 /nfs/dbraw/zinc/67/81/22/1175678122.db2.gz RYYXYHRHOPZIFR-VIFPVBQESA-N -1 1 284.327 1.155 20 30 CDEDMM C[C@H]1CCCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001603898952 1175678123 /nfs/dbraw/zinc/67/81/23/1175678123.db2.gz RYYXYHRHOPZIFR-VIFPVBQESA-N -1 1 284.327 1.155 20 30 CDEDMM C=CCCC(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001756436546 1186162380 /nfs/dbraw/zinc/16/23/80/1186162380.db2.gz SBJCKDOIAXHUHX-LLVKDONJSA-N -1 1 291.351 1.330 20 30 CDEDMM C[C@@H](CC#N)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001609108443 1164772326 /nfs/dbraw/zinc/77/23/26/1164772326.db2.gz ORQUCKUYNIFRPA-YFKPBYRVSA-N -1 1 283.748 1.715 20 30 CDEDMM N#Cc1c2ccccc2sc1NC(=O)Cc1nn[n-]n1 ZINC001176838498 914305008 /nfs/dbraw/zinc/30/50/08/914305008.db2.gz WXFMMTOOSAPETP-UHFFFAOYSA-N -1 1 284.304 1.467 20 30 CDEDMM N#Cc1cc(NS(=O)(=O)CC2CC2)c([O-])cc1F ZINC001188973064 921245525 /nfs/dbraw/zinc/24/55/25/921245525.db2.gz AZTROABSFCRULM-UHFFFAOYSA-N -1 1 270.285 1.555 20 30 CDEDMM C#CC[C@@H](NCc1cc(O)ccc1Br)C(=O)[O-] ZINC001588422499 983446758 /nfs/dbraw/zinc/44/67/58/983446758.db2.gz KSEPYFOARVVTQC-LLVKDONJSA-N -1 1 298.136 1.721 20 30 CDEDMM CN1CC2(C1)CCN(C(=O)CCC(=O)C1=CC=C[CH]1)CC2 ZINC001272093250 908229299 /nfs/dbraw/zinc/22/92/99/908229299.db2.gz FAHVAWNJOAEGOH-UHFFFAOYSA-N -1 1 287.383 1.590 20 30 CDEDMM C#CC(C)(C)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182639112 917999145 /nfs/dbraw/zinc/99/91/45/917999145.db2.gz YDNUWTJOEUCKQT-UHFFFAOYSA-N -1 1 261.277 1.056 20 30 CDEDMM C#Cc1cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)ccn1 ZINC001185945144 919810662 /nfs/dbraw/zinc/81/06/62/919810662.db2.gz DHYBQJMIZJJUKQ-UHFFFAOYSA-N -1 1 298.327 1.162 20 30 CDEDMM N#Cc1cc[nH]c1NC(=O)c1n[n-]nc1C(F)(F)F ZINC001187759320 920649415 /nfs/dbraw/zinc/64/94/15/920649415.db2.gz YBJLFFNNJUTJAM-UHFFFAOYSA-N -1 1 270.174 1.276 20 30 CDEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccncc2)cc1C#N ZINC001190894200 922281934 /nfs/dbraw/zinc/28/19/34/922281934.db2.gz XNDGUDXBAWSQKH-UHFFFAOYSA-N -1 1 284.300 1.626 20 30 CDEDMM N#CC1(NC(=O)c2c(F)ccc([O-])c2F)CCOCC1 ZINC001192556419 923133400 /nfs/dbraw/zinc/13/34/00/923133400.db2.gz UJSSHXZFPQMNTA-UHFFFAOYSA-N -1 1 282.246 1.473 20 30 CDEDMM N#CCS(=O)(=O)[N-]c1ccnn1-c1cccc(F)c1 ZINC001192943216 923325355 /nfs/dbraw/zinc/32/53/55/923325355.db2.gz KOPNRXSRRNABAM-UHFFFAOYSA-N -1 1 280.284 1.277 20 30 CDEDMM N#CCS(=O)(=O)[N-]c1cccc(O)c1Br ZINC001192985778 923362586 /nfs/dbraw/zinc/36/25/86/923362586.db2.gz NEBRVTWMIWVFGO-UHFFFAOYSA-N -1 1 291.126 1.420 20 30 CDEDMM N=C(c1ccccc1N)N([O-])C(=O)Cc1cccnc1 ZINC001142147891 936979790 /nfs/dbraw/zinc/97/97/90/936979790.db2.gz TYVHTYVDPMGSFY-UHFFFAOYSA-N -1 1 270.292 1.450 20 30 CDEDMM N#Cc1cnc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)cn1 ZINC001199664470 925799381 /nfs/dbraw/zinc/79/93/81/925799381.db2.gz BRTDGIABRUBQAA-UHFFFAOYSA-N -1 1 280.247 1.182 20 30 CDEDMM CCOC(=O)[C@@H](C)NC(=S)Nc1c([O-])cccc1C#N ZINC001199840586 925881770 /nfs/dbraw/zinc/88/17/70/925881770.db2.gz LSAOREOYBHUZNL-MRVPVSSYSA-N -1 1 293.348 1.502 20 30 CDEDMM O=C(C=CNc1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC001169476035 928106993 /nfs/dbraw/zinc/10/69/93/928106993.db2.gz ODNUOJNXNNKDJZ-ONEGZZNKSA-N -1 1 284.201 1.319 20 30 CDEDMM COC(=O)n1ncc(C#N)c1[N-]c1ncc(F)cn1 ZINC001169970341 928717481 /nfs/dbraw/zinc/71/74/81/928717481.db2.gz DYBBDKYBFACUHT-UHFFFAOYSA-N -1 1 262.204 1.042 20 30 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C#CCN(CC1CC1)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609020717 1164729775 /nfs/dbraw/zinc/72/97/75/1164729775.db2.gz DSDARXVZZJXSLX-UHFFFAOYSA-N -1 1 285.307 1.254 20 30 CDEDMM C=CCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001609054586 1164747648 /nfs/dbraw/zinc/74/76/48/1164747648.db2.gz BDWKOVHTGNKJNK-UHFFFAOYSA-N -1 1 250.331 1.644 20 30 CDEDMM C#C[C@H](NCc1ccccc1CC(=O)[O-])[C@H]1CCCO1 ZINC001609058194 1164751177 /nfs/dbraw/zinc/75/11/77/1164751177.db2.gz RPNCZDRGOOBSQL-LSDHHAIUSA-N -1 1 273.332 1.584 20 30 CDEDMM C[C@H](C#N)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609067933 1164754754 /nfs/dbraw/zinc/75/47/54/1164754754.db2.gz IMDYDMNVPPFOEF-SSDOTTSWSA-N -1 1 273.256 1.346 20 30 CDEDMM C[C@H](C#N)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609067933 1164754760 /nfs/dbraw/zinc/75/47/60/1164754760.db2.gz IMDYDMNVPPFOEF-SSDOTTSWSA-N -1 1 273.256 1.346 20 30 CDEDMM N#CCc1ccnc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000871722919 1165333583 /nfs/dbraw/zinc/33/35/83/1165333583.db2.gz OZYJORWDQVPCMP-LBPRGKRZSA-N -1 1 276.296 1.727 20 30 CDEDMM N#CCc1ccnc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000871722919 1165333586 /nfs/dbraw/zinc/33/35/86/1165333586.db2.gz OZYJORWDQVPCMP-LBPRGKRZSA-N -1 1 276.296 1.727 20 30 CDEDMM C#C[C@H](CC)NCc1c(C)nn(CCC(=O)[O-])c1C ZINC001602670843 1167825961 /nfs/dbraw/zinc/82/59/61/1167825961.db2.gz JPPXDJTXHVQBIV-GFCCVEGCSA-N -1 1 263.341 1.476 20 30 CDEDMM N=C(c1ccccc1N)N([O-])C(=O)[C@@H]1Cc2ccccc2O1 ZINC001178940438 915691542 /nfs/dbraw/zinc/69/15/42/915691542.db2.gz GLHNNHLRFJRNLM-AWEZNQCLSA-N -1 1 297.314 1.816 20 30 CDEDMM N#Cc1ccccc1CC(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001181796897 917381281 /nfs/dbraw/zinc/38/12/81/917381281.db2.gz AEHNPZCSOSNITJ-UHFFFAOYSA-N -1 1 299.246 1.339 20 30 CDEDMM N#Cc1ccc(NC(=O)CC(=O)C(F)(F)F)c([O-])c1 ZINC001184467077 919166665 /nfs/dbraw/zinc/16/66/65/919166665.db2.gz RTUSMJCSSZOOHT-UHFFFAOYSA-N -1 1 272.182 1.724 20 30 CDEDMM C=C[C@H]1C[C@]1(NC(=O)c1ccc([O-])c(F)c1)C(=O)OCC ZINC001186233598 919934891 /nfs/dbraw/zinc/93/48/91/919934891.db2.gz KPIDQMJHBDLLLY-ZUZCIYMTSA-N -1 1 293.294 1.769 20 30 CDEDMM CCOCCS(=O)(=O)[N-]c1csc(C#N)c1 ZINC001187257360 920463920 /nfs/dbraw/zinc/46/39/20/920463920.db2.gz USVFGNGGPZBTCR-UHFFFAOYSA-N -1 1 260.340 1.398 20 30 CDEDMM COc1cc([O-])c(C(=O)Nc2cc(C#N)ccn2)c(OC)c1 ZINC001190111968 921858830 /nfs/dbraw/zinc/85/88/30/921858830.db2.gz AQPOTOMVTIQZSC-UHFFFAOYSA-N -1 1 299.286 1.928 20 30 CDEDMM Cc1c[nH]c(C(=O)N([O-])C(=N)c2ccccc2N)n1 ZINC001191103780 922394218 /nfs/dbraw/zinc/39/42/18/922394218.db2.gz ZBKBPZUDYIAXBO-UHFFFAOYSA-N -1 1 259.269 1.157 20 30 CDEDMM CSc1ncc(C(=O)N[C@H]2CC[C@H](C#N)CC2)c(=O)[n-]1 ZINC001191437796 922561909 /nfs/dbraw/zinc/56/19/09/922561909.db2.gz RDWKBLLEFKCNRD-KYZUINATSA-N -1 1 292.364 1.716 20 30 CDEDMM CN1c2cc([N-]S(=O)(=O)CC#N)ccc2C(C)(C)C1=O ZINC001192985437 923363932 /nfs/dbraw/zinc/36/39/32/923363932.db2.gz DJSAGYOFECCNDZ-UHFFFAOYSA-N -1 1 293.348 1.206 20 30 CDEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1C 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575084086 /nfs/dbraw/zinc/08/40/86/575084086.db2.gz QFWPSHRYFKNPFA-UHFFFAOYSA-N -1 1 276.211 1.324 20 30 CDEDMM CC1=CC(=NNc2nc(=O)c3cnn(C)c3[n-]2)CCC1 ZINC000769817191 575388778 /nfs/dbraw/zinc/38/87/78/575388778.db2.gz KUNXIVRYJMUGSY-UHFFFAOYSA-N -1 1 272.312 1.967 20 30 CDEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCOC2)o1 ZINC000735938867 575533370 /nfs/dbraw/zinc/53/33/70/575533370.db2.gz FPQKEBIIJSTUJE-UHFFFAOYSA-N -1 1 291.315 1.556 20 30 CDEDMM CCN(CC)Cc1ccc(C(=O)N(CC#N)CC(=O)[O-])o1 ZINC000737085776 575815315 /nfs/dbraw/zinc/81/53/15/575815315.db2.gz AGSTUBQLIDMCBR-UHFFFAOYSA-N -1 1 293.323 1.172 20 30 CDEDMM N#Cc1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000737730343 576008755 /nfs/dbraw/zinc/00/87/55/576008755.db2.gz IOWLTGLAALHQTK-UHFFFAOYSA-N -1 1 278.279 1.140 20 30 CDEDMM N#Cc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000737730343 576008759 /nfs/dbraw/zinc/00/87/59/576008759.db2.gz IOWLTGLAALHQTK-UHFFFAOYSA-N -1 1 278.279 1.140 20 30 CDEDMM C[C@H](C=NNc1nc(=O)c2cnn(C)c2[n-]1)CCC#N 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/nfs/dbraw/zinc/17/51/11/608175111.db2.gz RSKUWPMSHTUZMZ-RXMQYKEDSA-N -1 1 283.748 1.572 20 30 CDEDMM N#Cc1c(-c2nn[n-]n2)ncn1Cc1ccc(F)cc1F ZINC000826383203 618591211 /nfs/dbraw/zinc/59/12/11/618591211.db2.gz OVNSYVAGOBCOBQ-UHFFFAOYSA-N -1 1 287.233 1.261 20 30 CDEDMM COCc1nc(N2CCC[C@@H](CC#N)C2)cc(=O)[n-]1 ZINC000894485921 618913994 /nfs/dbraw/zinc/91/39/94/618913994.db2.gz HCVZNKSROXEHNA-JTQLQIEISA-N -1 1 262.313 1.459 20 30 CDEDMM C=C1CCC(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CC1 ZINC000897161997 620399324 /nfs/dbraw/zinc/39/93/24/620399324.db2.gz RNALKOJNTAJQGS-GFCCVEGCSA-N -1 1 275.356 1.652 20 30 CDEDMM O=C1Nc2cc([O-])c(F)cc2C1=NN[C@@H]1CCCC[C@H]1O ZINC000901335178 624150212 /nfs/dbraw/zinc/15/02/12/624150212.db2.gz WWOYAGRNBAGDFR-MWLCHTKSSA-N -1 1 293.298 1.081 20 30 CDEDMM Cc1cc([O-])c(C(=O)C=Cc2cncn2C(C)C)c(=O)o1 ZINC000901417834 624229112 /nfs/dbraw/zinc/22/91/12/624229112.db2.gz UVNISGAXORIIMX-NNTXTVRGSA-N -1 1 288.303 1.692 20 30 CDEDMM Cc1cc(CC(=O)Nc2cc(C#N)ccc2[O-])n[nH]1 ZINC000151135190 630374897 /nfs/dbraw/zinc/37/48/97/630374897.db2.gz RDTRTWYALYKRTC-UHFFFAOYSA-N -1 1 256.265 1.477 20 30 CDEDMM N#C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C1CCCC1 ZINC000921538062 633062551 /nfs/dbraw/zinc/06/25/51/633062551.db2.gz PXKQMZKDBHWXPR-LBPRGKRZSA-N -1 1 286.335 1.872 20 30 CDEDMM CCN(Cc1cccc(C(=O)[O-])c1C#N)[C@@H](C)CO ZINC001605458956 1163572986 /nfs/dbraw/zinc/57/29/86/1163572986.db2.gz YLKBPIKKXYGKHH-JTQLQIEISA-N -1 1 262.309 1.459 20 30 CDEDMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)(C#N)CC2)c1 ZINC001605559530 1163609918 /nfs/dbraw/zinc/60/99/18/1163609918.db2.gz CPLYCKOXNNRXGQ-UHFFFAOYSA-N -1 1 283.339 1.700 20 30 CDEDMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C)(C#N)CC2)c1 ZINC001605559530 1163609923 /nfs/dbraw/zinc/60/99/23/1163609923.db2.gz CPLYCKOXNNRXGQ-UHFFFAOYSA-N -1 1 283.339 1.700 20 30 CDEDMM Cc1[nH]nc(NCc2ccc(C#N)c(C)c2)c1-c1nnn[n-]1 ZINC001605660962 1163637763 /nfs/dbraw/zinc/63/77/63/1163637763.db2.gz JKIFFFOVMYBLDT-UHFFFAOYSA-N -1 1 294.322 1.690 20 30 CDEDMM Cc1[nH]nc(NCc2ccc(C#N)c(C)c2)c1-c1nn[n-]n1 ZINC001605660962 1163637765 /nfs/dbraw/zinc/63/77/65/1163637765.db2.gz JKIFFFOVMYBLDT-UHFFFAOYSA-N -1 1 294.322 1.690 20 30 CDEDMM N#Cc1cnnc(Sc2cccc(F)c2-c2nn[n-]n2)c1 ZINC001606388988 1163885218 /nfs/dbraw/zinc/88/52/18/1163885218.db2.gz IWXLBVGJOIGNID-UHFFFAOYSA-N -1 1 299.294 1.819 20 30 CDEDMM N#Cc1ccc([C@@H]2CN(CC3(C(=O)[O-])CC3)CCO2)cc1 ZINC001608203558 1164449748 /nfs/dbraw/zinc/44/97/48/1164449748.db2.gz COVCLLVIAXXFAL-AWEZNQCLSA-N -1 1 286.331 1.796 20 30 CDEDMM C#CC[C@H](NCc1c(OC)cc(OC)cc1OC)C(=O)[O-] ZINC001609089256 1164764792 /nfs/dbraw/zinc/76/47/92/1164764792.db2.gz JHYRIYHUBVMNHJ-LBPRGKRZSA-N -1 1 293.319 1.279 20 30 CDEDMM C[C@@H](NN=Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001609125780 1164781629 /nfs/dbraw/zinc/78/16/29/1164781629.db2.gz PQVQQMQKHHKFMD-RXMQYKEDSA-N -1 1 290.274 1.803 20 30 CDEDMM CC1(C)CCC[C@@H](n2cnc(C#N)c2-c2nn[n-]n2)C1=O ZINC001609145180 1164793762 /nfs/dbraw/zinc/79/37/62/1164793762.db2.gz 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/nfs/dbraw/zinc/02/96/81/1173029681.db2.gz VAWIGVPURDTVOT-JTQLQIEISA-N -1 1 299.338 1.431 20 30 CDEDMM C#C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001588330107 1173029691 /nfs/dbraw/zinc/02/96/91/1173029691.db2.gz VAWIGVPURDTVOT-JTQLQIEISA-N -1 1 299.338 1.431 20 30 CDEDMM C#CCC1(NC(=O)c2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001588335226 1173039182 /nfs/dbraw/zinc/03/91/82/1173039182.db2.gz DCWJKOZRQMFDJU-UHFFFAOYSA-N -1 1 287.348 1.604 20 30 CDEDMM C#CCC1(NC(=O)c2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001588335226 1173039188 /nfs/dbraw/zinc/03/91/88/1173039188.db2.gz DCWJKOZRQMFDJU-UHFFFAOYSA-N -1 1 287.348 1.604 20 30 CDEDMM C(=NN[C@H]1CCSC1)c1ccc(-c2nn[n-]n2)s1 ZINC001588381933 1173057751 /nfs/dbraw/zinc/05/77/51/1173057751.db2.gz XAGLRXULXZQZIK-ZETCQYMHSA-N -1 1 280.382 1.357 20 30 CDEDMM C=C(C)CCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001588419435 1173061671 /nfs/dbraw/zinc/06/16/71/1173061671.db2.gz JEGRNSUBMMGZIE-UHFFFAOYSA-N -1 1 273.296 1.867 20 30 CDEDMM C=CC[C@H](C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001588539590 1173077376 /nfs/dbraw/zinc/07/73/76/1173077376.db2.gz QSYYDLJEUMYKRF-ZETCQYMHSA-N -1 1 299.381 1.171 20 30 CDEDMM C=CC[C@H]1CCCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001588558681 1173080269 /nfs/dbraw/zinc/08/02/69/1173080269.db2.gz BSHHZXBPJWOLGY-QWRGUYRKSA-N -1 1 285.355 1.625 20 30 CDEDMM CC(C)(C#N)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589034343 1173120329 /nfs/dbraw/zinc/12/03/29/1173120329.db2.gz XUPYAJTZVFBPDQ-UHFFFAOYSA-N -1 1 261.241 1.053 20 30 CDEDMM CC(C)(C#N)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001589034343 1173120331 /nfs/dbraw/zinc/12/03/31/1173120331.db2.gz XUPYAJTZVFBPDQ-UHFFFAOYSA-N -1 1 261.241 1.053 20 30 CDEDMM C[C@@]1(C#N)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590055647 1173241252 /nfs/dbraw/zinc/24/12/52/1173241252.db2.gz VUUWATKHKVBDQO-ZDUSSCGKSA-N -1 1 298.310 1.029 20 30 CDEDMM C[C@@]1(C#N)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590055647 1173241257 /nfs/dbraw/zinc/24/12/57/1173241257.db2.gz VUUWATKHKVBDQO-ZDUSSCGKSA-N -1 1 298.310 1.029 20 30 CDEDMM CC1CCC(CNc2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001590231836 1173308993 /nfs/dbraw/zinc/30/89/93/1173308993.db2.gz SISVMLGZGJKDFW-UHFFFAOYSA-N -1 1 298.354 1.767 20 30 CDEDMM CC1CCC(CNc2cnc(-c3nn[n-]n3)c(C#N)n2)CC1 ZINC001590231836 1173309000 /nfs/dbraw/zinc/30/90/00/1173309000.db2.gz SISVMLGZGJKDFW-UHFFFAOYSA-N -1 1 298.354 1.767 20 30 CDEDMM C[C@H]1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)c(C#N)n2)C1 ZINC001590243983 1173313947 /nfs/dbraw/zinc/31/39/47/1173313947.db2.gz QQJFNOMFXLQFNJ-VHSXEESVSA-N -1 1 298.354 1.767 20 30 CDEDMM C[C@H]1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001590243983 1173313953 /nfs/dbraw/zinc/31/39/53/1173313953.db2.gz QQJFNOMFXLQFNJ-VHSXEESVSA-N -1 1 298.354 1.767 20 30 CDEDMM CC[C@@](C)(C#N)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590371468 1173381485 /nfs/dbraw/zinc/38/14/85/1173381485.db2.gz AKNXOMFRDLDASC-LBPRGKRZSA-N -1 1 291.336 1.911 20 30 CDEDMM CO[C@@H](Cn1cnc(C#N)c1-c1nn[n-]n1)C1CCCC1 ZINC001591333435 1173614844 /nfs/dbraw/zinc/61/48/44/1173614844.db2.gz FXKMKROHTOSKGN-NSHDSACASA-N -1 1 287.327 1.140 20 30 CDEDMM N#CC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001592672748 1173963705 /nfs/dbraw/zinc/96/37/05/1173963705.db2.gz OBXADVPCMBEWRZ-UHFFFAOYSA-N -1 1 295.759 1.717 20 30 CDEDMM N#CC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001592672748 1173963708 /nfs/dbraw/zinc/96/37/08/1173963708.db2.gz OBXADVPCMBEWRZ-UHFFFAOYSA-N -1 1 295.759 1.717 20 30 CDEDMM N#CC[C@@H]1CCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592673981 1173966723 /nfs/dbraw/zinc/96/67/23/1173966723.db2.gz VYMOVUNBINVBJA-JTQLQIEISA-N -1 1 297.322 1.028 20 30 CDEDMM N#CC[C@@H]1CCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592673981 1173966727 /nfs/dbraw/zinc/96/67/27/1173966727.db2.gz VYMOVUNBINVBJA-JTQLQIEISA-N -1 1 297.322 1.028 20 30 CDEDMM N#Cc1cc(Cl)ccc1Cn1ccnc1-c1nnn[n-]1 ZINC001592688289 1173971089 /nfs/dbraw/zinc/97/10/89/1173971089.db2.gz NNDYYNLLUVHREE-UHFFFAOYSA-N -1 1 285.698 1.637 20 30 CDEDMM N#Cc1cc(Cl)ccc1Cn1ccnc1-c1nn[n-]n1 ZINC001592688289 1173971093 /nfs/dbraw/zinc/97/10/93/1173971093.db2.gz NNDYYNLLUVHREE-UHFFFAOYSA-N -1 1 285.698 1.637 20 30 CDEDMM N#Cc1c(F)cccc1Sc1cc(-c2nnn[n-]2)ncn1 ZINC001592687371 1173971204 /nfs/dbraw/zinc/97/12/04/1173971204.db2.gz YXMDIFAEGOTHAT-UHFFFAOYSA-N -1 1 299.294 1.819 20 30 CDEDMM N#Cc1c(F)cccc1Sc1cc(-c2nn[n-]n2)ncn1 ZINC001592687371 1173971211 /nfs/dbraw/zinc/97/12/11/1173971211.db2.gz YXMDIFAEGOTHAT-UHFFFAOYSA-N -1 1 299.294 1.819 20 30 CDEDMM N#Cc1nc(NCCCC(F)(F)F)cnc1-c1nnn[n-]1 ZINC001592707895 1173976849 /nfs/dbraw/zinc/97/68/49/1173976849.db2.gz IXGZMHNOZJKVRR-UHFFFAOYSA-N -1 1 298.232 1.283 20 30 CDEDMM N#Cc1nc(NCCCC(F)(F)F)cnc1-c1nn[n-]n1 ZINC001592707895 1173976854 /nfs/dbraw/zinc/97/68/54/1173976854.db2.gz IXGZMHNOZJKVRR-UHFFFAOYSA-N -1 1 298.232 1.283 20 30 CDEDMM N#Cc1ncc(NCCCC2CCC2)nc1-c1nn[n-]n1 ZINC001592709683 1173980941 /nfs/dbraw/zinc/98/09/41/1173980941.db2.gz AMRZNPYHNFRDJE-UHFFFAOYSA-N -1 1 284.327 1.521 20 30 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ZINC000019775073 600140014 /nfs/dbraw/zinc/14/00/14/600140014.db2.gz BBMDJCVXAKIJKW-GFCCVEGCSA-N -1 1 287.319 1.293 20 30 CDEDMM Cc1nn(C)c(C)c1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833014453 601304400 /nfs/dbraw/zinc/30/44/00/601304400.db2.gz WLVNDMWTZDOPPS-OAHLLOKOSA-N -1 1 298.346 1.824 20 30 CDEDMM C[C@@H]1CN(Cc2ccc(F)cc2C#N)C[C@@H]1C(=O)[O-] ZINC000111255512 601504499 /nfs/dbraw/zinc/50/44/99/601504499.db2.gz NRZWPDJCXVBQTG-RNCFNFMXSA-N -1 1 262.284 1.850 20 30 CDEDMM CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000829642193 601873306 /nfs/dbraw/zinc/87/33/06/601873306.db2.gz ISRLGSAALYSHOU-JQWIXIFHSA-N -1 1 283.372 1.083 20 30 CDEDMM C#CCCN1CCN(c2ccc(C(=O)[O-])c(C)n2)CC1 ZINC000833365688 605035803 /nfs/dbraw/zinc/03/58/03/605035803.db2.gz XFHYEIKIHIFACT-UHFFFAOYSA-N -1 1 273.336 1.234 20 30 CDEDMM C#CCOCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833364314 605060136 /nfs/dbraw/zinc/06/01/36/605060136.db2.gz OHSDJMHGYXTQGG-UHFFFAOYSA-N -1 1 287.275 1.240 20 30 CDEDMM C=C(C)Cn1c(C(F)(F)F)ccc(-c2nn[n-]n2)c1=O ZINC001602764305 1175392984 /nfs/dbraw/zinc/39/29/84/1175392984.db2.gz SZWQZDDQCRFYJS-UHFFFAOYSA-N -1 1 285.229 1.623 20 30 CDEDMM C=CCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)C ZINC000819740161 606156420 /nfs/dbraw/zinc/15/64/20/606156420.db2.gz RQRUXMIPVMWEJG-UHFFFAOYSA-N -1 1 290.331 1.029 20 30 CDEDMM C=CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC000819740161 606156423 /nfs/dbraw/zinc/15/64/23/606156423.db2.gz RQRUXMIPVMWEJG-UHFFFAOYSA-N -1 1 290.331 1.029 20 30 CDEDMM C=C[C@](C)(CC)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC001602793972 1175404338 /nfs/dbraw/zinc/40/43/38/1175404338.db2.gz HOLHNLONNCPJCW-GFCCVEGCSA-N -1 1 286.299 1.002 20 30 CDEDMM C=C[C@H](C(=O)[O-])N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001602804560 1175407054 /nfs/dbraw/zinc/40/70/54/1175407054.db2.gz POVPNPNGUFJFSU-GFCCVEGCSA-N -1 1 297.301 1.887 20 30 CDEDMM C=C/C=C\CCn1c(C)nc(-c2nn[n-]n2)c1C#N ZINC001602806879 1175408636 /nfs/dbraw/zinc/40/86/36/1175408636.db2.gz ALNSEYMOGYPSQK-PLNGDYQASA-N -1 1 255.285 1.376 20 30 CDEDMM O=C(C=Cc1ncc[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403134 608093123 /nfs/dbraw/zinc/09/31/23/608093123.db2.gz KURAKSQDCXQFDF-DAFODLJHSA-N -1 1 272.293 1.547 20 30 CDEDMM C=CC[C@@H](NCC(=O)N(CC)c1ccccc1)C(=O)[O-] ZINC001602842931 1175429579 /nfs/dbraw/zinc/42/95/79/1175429579.db2.gz SOQXCMOCOOGKKV-CYBMUJFWSA-N -1 1 276.336 1.658 20 30 CDEDMM CC(C)[S@](C)(=O)=NC(=O)c1cc([O-])cc(C#N)c1 ZINC000926059424 617357205 /nfs/dbraw/zinc/35/72/05/617357205.db2.gz VZHRFIDASYPZLK-SFHVURJKSA-N -1 1 266.322 1.910 20 30 CDEDMM C=CCOCCCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891624318 617510990 /nfs/dbraw/zinc/51/09/90/617510990.db2.gz YHGJSGATDZACRY-UHFFFAOYSA-N -1 1 291.351 1.982 20 30 CDEDMM N#CCCN(CCC#N)Cc1ccc(-c2nn[n-]n2)s1 ZINC000826381320 618592474 /nfs/dbraw/zinc/59/24/74/618592474.db2.gz HBWXATFGPKZFNY-UHFFFAOYSA-N -1 1 287.352 1.558 20 30 CDEDMM C=CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)[O-] ZINC000910925195 618604383 /nfs/dbraw/zinc/60/43/83/618604383.db2.gz JIBJBOVVAKQNIN-MXWKQRLJSA-N -1 1 277.324 1.439 20 30 CDEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCC23OCCO3)c1 ZINC000898950236 621980911 /nfs/dbraw/zinc/98/09/11/621980911.db2.gz KDKFOVREAVRVSO-ZDUSSCGKSA-N -1 1 288.303 1.289 20 30 CDEDMM C#Cc1ccc(C(=O)N[C@H](CCC)c2nn[n-]n2)cc1 ZINC000900985121 623758702 /nfs/dbraw/zinc/75/87/02/623758702.db2.gz WFOCMBMPQUECQY-GFCCVEGCSA-N -1 1 269.308 1.452 20 30 CDEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)CCCc1nn[n-]n1 ZINC000908667220 628324011 /nfs/dbraw/zinc/32/40/11/628324011.db2.gz XZDVJARVFCCOKS-NSHDSACASA-N -1 1 291.355 1.049 20 30 CDEDMM C=C(C)C(C)(C)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000910171509 628886658 /nfs/dbraw/zinc/88/66/58/628886658.db2.gz WXFOMYRUCAOOAZ-GFCCVEGCSA-N -1 1 282.384 1.596 20 30 CDEDMM C=C(C)C[C@H](NC(=O)CN(C)C1CCC1)C(=O)[O-] ZINC000910292482 629000400 /nfs/dbraw/zinc/00/04/00/629000400.db2.gz PQUWKDHTBZEPOA-NSHDSACASA-N -1 1 254.330 1.006 20 30 CDEDMM C=C(C)C[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)C(=O)[O-] ZINC000910294047 629003478 /nfs/dbraw/zinc/00/34/78/629003478.db2.gz NONJSLLWWDWYQI-BXKDBHETSA-N -1 1 277.324 1.050 20 30 CDEDMM O=S1(=O)CC[C@H](NN=Cc2ccc([O-])c(Cl)c2)C1 ZINC000921252488 632905175 /nfs/dbraw/zinc/90/51/75/632905175.db2.gz FMIHRTGDKRAJJX-VIFPVBQESA-N -1 1 288.756 1.156 20 30 CDEDMM C=CC[C@@H]1CCCN(CC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C1 ZINC001602854874 1175434908 /nfs/dbraw/zinc/43/49/08/1175434908.db2.gz AJQMSLXEWOKUJH-UMVBOHGHSA-N -1 1 296.411 1.890 20 30 CDEDMM C=CCn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001602882287 1175442801 /nfs/dbraw/zinc/44/28/01/1175442801.db2.gz GYFOVILHNOFJQK-UHFFFAOYSA-N -1 1 259.294 1.429 20 30 CDEDMM CC(C)C1(C(=O)N([O-])C(=N)c2nonc2N)CCC1 ZINC001142646665 1160756475 /nfs/dbraw/zinc/75/64/75/1160756475.db2.gz YGJAMHMFOGHRMD-UHFFFAOYSA-N -1 1 267.289 1.021 20 30 CDEDMM CCOC1CC(CN=Nc2oc(C)nc2-c2nn[n-]n2)C1 ZINC001604406917 1163179494 /nfs/dbraw/zinc/17/94/94/1163179494.db2.gz 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C#CC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588335430 1173039876 /nfs/dbraw/zinc/03/98/76/1173039876.db2.gz MOAXXDDLXHCRJP-NSHDSACASA-N -1 1 296.334 1.137 20 30 CDEDMM C=CC(C)(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588478174 1173069383 /nfs/dbraw/zinc/06/93/83/1173069383.db2.gz XNYUETHURUDYGH-UHFFFAOYSA-N -1 1 278.341 1.152 20 30 CDEDMM CC(C)OCCON=Cc1csc(-c2nn[n-]n2)c1 ZINC001589749619 1173173275 /nfs/dbraw/zinc/17/32/75/1173173275.db2.gz ZJUJBNVUHWVKIC-UHFFFAOYSA-N -1 1 281.341 1.704 20 30 CDEDMM C[C@@H](CC1CCC1)Nc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001589801565 1173184459 /nfs/dbraw/zinc/18/44/59/1173184459.db2.gz NHJHZXNDMVQJAL-QMMMGPOBSA-N -1 1 284.327 1.519 20 30 CDEDMM C[C@@H](CC1CCC1)Nc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001589801565 1173184467 /nfs/dbraw/zinc/18/44/67/1173184467.db2.gz NHJHZXNDMVQJAL-QMMMGPOBSA-N -1 1 284.327 1.519 20 30 CDEDMM CC[C@](C)(C#N)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590371467 1173381348 /nfs/dbraw/zinc/38/13/48/1173381348.db2.gz AKNXOMFRDLDASC-GFCCVEGCSA-N 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