smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)ccn2)C1 ZINC001606354320 1163877327 /nfs/dbraw/zinc/87/73/27/1163877327.db2.gz FLGWYMRLSFUSPM-SCZZXKLOSA-N -1 3 255.285 1.366 20 30 CDEDHM N#C[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)ccn2)C1 ZINC001606354320 1163877330 /nfs/dbraw/zinc/87/73/30/1163877330.db2.gz FLGWYMRLSFUSPM-SCZZXKLOSA-N -1 3 255.285 1.366 20 30 CDEDHM CCOC(=O)CCc1ccc([N-]S(=O)(=O)CC#N)cc1 ZINC001192982742 1164384689 /nfs/dbraw/zinc/38/46/89/1164384689.db2.gz WGXWGVWDGDEENW-UHFFFAOYSA-N -1 3 296.348 1.448 20 30 CDEDHM N#CC1(C(=O)[O-])CCN(C[C@H](O)c2ccccc2)CC1 ZINC001608174082 1164434869 /nfs/dbraw/zinc/43/48/69/1164434869.db2.gz HCIOJHQRDKMXRJ-ZDUSSCGKSA-N -1 3 274.320 1.410 20 30 CDEDHM O=C([O-])C[C@@]1(NCC#Cc2ccc(Cl)cc2)CCOC1 ZINC001608686492 1164604159 /nfs/dbraw/zinc/60/41/59/1164604159.db2.gz GYZXJWIKQIGLMI-HNNXBMFYSA-N -1 3 293.750 1.915 20 30 CDEDHM C(=NN[C@@H]1CCSC1)c1ccccc1-c1nnn[n-]1 ZINC001609022572 1164731308 /nfs/dbraw/zinc/73/13/08/1164731308.db2.gz YYNUADZWXIZJPH-SNVBAGLBSA-N -1 3 274.353 1.296 20 30 CDEDHM C(=NN[C@@H]1CCSC1)c1ccccc1-c1nn[n-]n1 ZINC001609022572 1164731313 /nfs/dbraw/zinc/73/13/13/1164731313.db2.gz YYNUADZWXIZJPH-SNVBAGLBSA-N -1 3 274.353 1.296 20 30 CDEDHM C=C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1OC)C(=O)OC ZINC001609052673 1164743231 /nfs/dbraw/zinc/74/32/31/1164743231.db2.gz MNMCOSJVOPJURN-SECBINFHSA-N -1 3 289.295 1.015 20 30 CDEDHM C=C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1OC)C(=O)OC ZINC001609052673 1164743238 /nfs/dbraw/zinc/74/32/38/1164743238.db2.gz MNMCOSJVOPJURN-SECBINFHSA-N -1 3 289.295 1.015 20 30 CDEDHM CCOCCS(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000063153932 1166878250 /nfs/dbraw/zinc/87/82/50/1166878250.db2.gz JHDFEPAYNCDMAI-UHFFFAOYSA-N -1 3 254.311 1.336 20 30 CDEDHM N#Cc1ccccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001167636006 897127278 /nfs/dbraw/zinc/12/72/78/897127278.db2.gz VEXUNHPHAGSZRW-UHFFFAOYSA-N -1 3 277.291 1.745 20 30 CDEDHM N#Cc1ccccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001167636006 897127290 /nfs/dbraw/zinc/12/72/90/897127290.db2.gz VEXUNHPHAGSZRW-UHFFFAOYSA-N -1 3 277.291 1.745 20 30 CDEDHM N#C[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000093456477 908190568 /nfs/dbraw/zinc/19/05/68/908190568.db2.gz GBUGCYDYZXVNPU-NSHDSACASA-N -1 3 252.701 1.770 20 30 CDEDHM C=C(C)CCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093906921 910219347 /nfs/dbraw/zinc/21/93/47/910219347.db2.gz CMIPMDRSWDJARW-UHFFFAOYSA-N -1 3 294.311 1.580 20 30 CDEDHM N#C[C@@H](NC(=O)c1cccc2n[n-]nc21)C1CCCC1 ZINC000921547402 919076260 /nfs/dbraw/zinc/07/62/60/919076260.db2.gz QEVRCKUGOUEPPJ-GFCCVEGCSA-N -1 3 269.308 1.770 20 30 CDEDHM CC(=O)c1ccnc(C(=O)[N-]c2onc(C)c2C#N)c1 ZINC001184819958 919297130 /nfs/dbraw/zinc/29/71/30/919297130.db2.gz XKSQTFDPOFKZOX-UHFFFAOYSA-N -1 3 270.248 1.705 20 30 CDEDHM Cc1oncc1S(=O)(=O)[N-][C@@](C)(C#N)CC(C)C ZINC001187420526 920533623 /nfs/dbraw/zinc/53/36/23/920533623.db2.gz GSHRJWYZTAJKRU-LLVKDONJSA-N -1 3 271.342 1.590 20 30 CDEDHM N#Cc1ccnc(NC(=O)c2[n-]nnc2C(F)(F)F)c1 ZINC001187756861 920650143 /nfs/dbraw/zinc/65/01/43/920650143.db2.gz GRYZEZWRRDMLGO-UHFFFAOYSA-N -1 3 282.185 1.342 20 30 CDEDHM N#Cc1ccnc(NC(=O)c2nn[n-]c2C(F)(F)F)c1 ZINC001187756861 920650152 /nfs/dbraw/zinc/65/01/52/920650152.db2.gz GRYZEZWRRDMLGO-UHFFFAOYSA-N -1 3 282.185 1.342 20 30 CDEDHM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)C2CCC2)c1 ZINC001188139186 920856539 /nfs/dbraw/zinc/85/65/39/920856539.db2.gz QABHTBSEWHIPSR-UHFFFAOYSA-N -1 3 294.332 1.639 20 30 CDEDHM C=CCC1(S(=O)(=O)Nc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001190773120 922189241 /nfs/dbraw/zinc/18/92/41/922189241.db2.gz SVZCCMOTLWOJBG-UHFFFAOYSA-N -1 3 295.364 1.910 20 30 CDEDHM N#Cc1ccc(CNC(=O)c2ccc(=O)[n-]c2Cl)cn1 ZINC001190918804 922320207 /nfs/dbraw/zinc/32/02/07/922320207.db2.gz XGXPPTJCWRNMFL-UHFFFAOYSA-N -1 3 288.694 1.637 20 30 CDEDHM N#CCS(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC001193002214 923380572 /nfs/dbraw/zinc/38/05/72/923380572.db2.gz ZPMNTTGFHPFWOI-SECBINFHSA-N -1 3 272.713 1.216 20 30 CDEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(N2CCCC2=O)cc1 ZINC001193139840 923486042 /nfs/dbraw/zinc/48/60/42/923486042.db2.gz NZSFOXXOGQREKW-SNVBAGLBSA-N -1 3 293.348 1.467 20 30 CDEDHM C[C@@H](C#N)N(C)C(=O)c1ccc(Br)c(=O)[n-]1 ZINC001193153749 923500132 /nfs/dbraw/zinc/50/01/32/923500132.db2.gz XNBSHOZVEVTCLS-LURJTMIESA-N -1 3 284.113 1.534 20 30 CDEDHM CCOC(=O)Cc1cccc([N-]S(=O)(=O)[C@H](C)C#N)c1 ZINC001193158651 923504690 /nfs/dbraw/zinc/50/46/90/923504690.db2.gz SYHVGNXNTKPWCY-SNVBAGLBSA-N -1 3 296.348 1.446 20 30 CDEDHM N#Cc1cc(NS(=O)(=O)Cc2ccccn2)ccc1[O-] ZINC001197821416 925246094 /nfs/dbraw/zinc/24/60/94/925246094.db2.gz LFYDSQWQBVFONK-UHFFFAOYSA-N -1 3 289.316 1.601 20 30 CDEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N(C)CC#N ZINC001166799854 925310000 /nfs/dbraw/zinc/31/00/00/925310000.db2.gz ZNRCNCCQDLHGRW-UHFFFAOYSA-N -1 3 279.687 1.358 20 30 CDEDHM CN(C)C(=O)CCC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001143052687 937113973 /nfs/dbraw/zinc/11/39/73/937113973.db2.gz OGZFPUHSIRBYNW-UHFFFAOYSA-N -1 3 261.281 1.071 20 30 CDEDHM CCc1ncnc([N-]c2c(C#N)cnn2C(=O)OC)c1F ZINC001169962160 928554060 /nfs/dbraw/zinc/55/40/60/928554060.db2.gz JFTBWYKSOSVYBE-UHFFFAOYSA-N -1 3 290.258 1.604 20 30 CDEDHM N#Cc1ccnc(NC(=O)c2cccc3c2[N-]C(=O)C3=O)c1 ZINC001152446988 937361967 /nfs/dbraw/zinc/36/19/67/937361967.db2.gz RYXWAAKIEQXMQZ-UHFFFAOYSA-N -1 3 292.254 1.340 20 30 CDEDHM Cc1ncc(CO)c(/C=N\CCC2CCOCC2)c1[O-] ZINC001116062763 937429280 /nfs/dbraw/zinc/42/92/80/937429280.db2.gz LOVYUZUSOVZZKF-SXGWCWSVSA-N -1 3 278.352 1.824 20 30 CDEDHM C=CC[C@H]([N-]S(=O)(=O)C[C@@H](C)CC)C(=O)OCC ZINC001116571019 937457435 /nfs/dbraw/zinc/45/74/35/937457435.db2.gz OETZQQMKQUFQCD-QWRGUYRKSA-N -1 3 277.386 1.460 20 30 CDEDHM C=C(Cl)CN(CC)[C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001153957057 937485942 /nfs/dbraw/zinc/48/59/42/937485942.db2.gz OQLGYORGRUYSRV-SNVBAGLBSA-N -1 3 298.774 1.375 20 30 CDEDHM N#CC1(NC(=O)c2ccc3c(=O)[nH][n-]c(=O)c3c2)CCC1 ZINC001154310612 937528988 /nfs/dbraw/zinc/52/89/88/937528988.db2.gz PSLZCXNKGOMVTN-UHFFFAOYSA-N -1 3 284.275 1.217 20 30 CDEDHM N#CC1(NC(=O)c2ccc3c(=O)[n-][nH]c(=O)c3c2)CCC1 ZINC001154310612 937528989 /nfs/dbraw/zinc/52/89/89/937528989.db2.gz PSLZCXNKGOMVTN-UHFFFAOYSA-N -1 3 284.275 1.217 20 30 CDEDHM CN1CC2(C1)CCN(C(=O)c1ccc([O-])c(C#N)c1)CC2 ZINC001275708333 931969995 /nfs/dbraw/zinc/96/99/95/931969995.db2.gz RYDATUZXVYANDO-UHFFFAOYSA-N -1 3 285.347 1.432 20 30 CDEDHM N#Cc1ccc2[n-]c(C(=O)NCc3cc[nH]c3)cc(=O)c2c1 ZINC001154560194 937558446 /nfs/dbraw/zinc/55/84/46/937558446.db2.gz XOZBDCQIPRJHEZ-UHFFFAOYSA-N -1 3 292.298 1.658 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncc(-c2cccnc2)cn1 ZINC001171362575 932864312 /nfs/dbraw/zinc/86/43/12/932864312.db2.gz HAFZJYRZOALEMP-CABZTGNLSA-N -1 3 285.307 1.187 20 30 CDEDHM C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001096961410 936242235 /nfs/dbraw/zinc/24/22/35/936242235.db2.gz XNAHZXMAIKHZKZ-UTUOFQBUSA-N -1 3 290.367 1.335 20 30 CDEDHM Cc1nc2sccc2c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1 ZINC001160173365 938773037 /nfs/dbraw/zinc/77/30/37/938773037.db2.gz FMGUEALSHMCEKS-RCOVLWMOSA-N -1 3 278.337 1.648 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc2c(n1)CCCC2 ZINC001160174299 938773088 /nfs/dbraw/zinc/77/30/88/938773088.db2.gz AFQSQECOFVNTLG-ZANVPECISA-N -1 3 261.325 1.608 20 30 CDEDHM CSc1cc(C)nc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1 ZINC001160174890 938773450 /nfs/dbraw/zinc/77/34/50/938773450.db2.gz QBGQYJUUTZZGJF-RCOVLWMOSA-N -1 3 268.342 1.155 20 30 CDEDHM N#CCc1cccc(NCCCc2c[n-][nH]c2=O)c1F ZINC001164374907 939467352 /nfs/dbraw/zinc/46/73/52/939467352.db2.gz PKDGWVJCQLLSIP-LLVKDONJSA-N -1 3 274.299 1.816 20 30 CDEDHM O=c1[nH][n-]cc1CCCNc1cccc(/C=N/O)c1 ZINC001164381880 939468955 /nfs/dbraw/zinc/46/89/55/939468955.db2.gz GNMHQHKUFQEXGD-AXLKIAQESA-N -1 3 260.297 1.419 20 30 CDEDHM Cc1noc([N-]c2ccc(C#N)c(F)c2)c1C(N)=O ZINC001204036846 939723740 /nfs/dbraw/zinc/72/37/40/939723740.db2.gz MXGCWCCYFWHXRG-UHFFFAOYSA-N -1 3 260.228 1.836 20 30 CDEDHM N#Cc1cc([N-]S(=O)(=O)c2ccccc2N)ccc1N ZINC001213441103 940775460 /nfs/dbraw/zinc/77/54/60/940775460.db2.gz HBCGPDYWTACKGT-UHFFFAOYSA-N -1 3 288.332 1.523 20 30 CDEDHM C=CCn1cc(-c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001222396464 941590417 /nfs/dbraw/zinc/59/04/17/941590417.db2.gz ZLVHCDKBKIAMJG-UHFFFAOYSA-N -1 3 252.281 1.916 20 30 CDEDHM C=CCn1cc(-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001222396464 941590418 /nfs/dbraw/zinc/59/04/18/941590418.db2.gz ZLVHCDKBKIAMJG-UHFFFAOYSA-N -1 3 252.281 1.916 20 30 CDEDHM CC[C@H](C#CC(=O)OC)Oc1ccc2c([O-])coc2c1 ZINC001225340190 941845232 /nfs/dbraw/zinc/84/52/32/941845232.db2.gz FNRATFBWDIAMRO-SNVBAGLBSA-N -1 3 274.272 1.596 20 30 CDEDHM N#CCCN1CC(Oc2ccc3c([O-])coc3c2)C1 ZINC001225340158 941845732 /nfs/dbraw/zinc/84/57/32/941845732.db2.gz DYMQJPNXJQDRCO-UHFFFAOYSA-N -1 3 258.277 1.238 20 30 CDEDHM C=C1O[C@H](C)C(=O)C1Oc1ccc2c([O-])coc2c1 ZINC001225343208 941847390 /nfs/dbraw/zinc/84/73/90/941847390.db2.gz RXKBPHJBNACOEU-SSDOTTSWSA-N -1 3 260.245 1.860 20 30 CDEDHM Cc1cc(=O)c(C#N)c(O[C@H]2COc3cnccc32)[n-]1 ZINC001225468016 941863621 /nfs/dbraw/zinc/86/36/21/941863621.db2.gz IDHBPICWZFNRGK-ZDUSSCGKSA-N -1 3 269.260 1.875 20 30 CDEDHM C=C1O[C@@H](C)C(=O)C1Oc1cc(C)nc(=S)[n-]1 ZINC001226798827 942072993 /nfs/dbraw/zinc/07/29/93/942072993.db2.gz LUOUYVUUSNMGLP-LURJTMIESA-N -1 3 252.295 1.672 20 30 CDEDHM C=C1O[C@@H](CC)C(=O)C1Oc1nc(C)[n-]c(=O)c1C ZINC001229685791 942512869 /nfs/dbraw/zinc/51/28/69/942512869.db2.gz OLYLMOAPHQXNMQ-VIFPVBQESA-N -1 3 264.281 1.787 20 30 CDEDHM CCC1=C(Oc2ccccc2-c2nnn[n-]2)C(=O)[C@H](C)O1 ZINC001229954218 942556798 /nfs/dbraw/zinc/55/67/98/942556798.db2.gz IWYXDNNGTCPVFI-QMMMGPOBSA-N -1 3 286.291 1.855 20 30 CDEDHM CCC1=C(Oc2ccccc2-c2nn[n-]n2)C(=O)[C@H](C)O1 ZINC001229954218 942556802 /nfs/dbraw/zinc/55/68/02/942556802.db2.gz IWYXDNNGTCPVFI-QMMMGPOBSA-N -1 3 286.291 1.855 20 30 CDEDHM CC[C@H]1OC(=O)C(Oc2cc(C(=O)NO)ccc2[O-])=C1C ZINC001229969122 942561153 /nfs/dbraw/zinc/56/11/53/942561153.db2.gz TZCDLGUPYKBOLE-SNVBAGLBSA-N -1 3 293.275 1.499 20 30 CDEDHM CCOC(=O)C[C@@H](CC#N)Oc1cc([O-])cc(C#N)c1 ZINC001234142538 943753144 /nfs/dbraw/zinc/75/31/44/943753144.db2.gz WEUIALABQSCYGZ-GFCCVEGCSA-N -1 3 274.276 1.878 20 30 CDEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@H]3CO[C@H]4OCC[C@@H]34)c12 ZINC001234513449 943876351 /nfs/dbraw/zinc/87/63/51/943876351.db2.gz KYBRCYGJIJWVFL-NURSFMCSSA-N -1 3 299.286 1.347 20 30 CDEDHM CC[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1noc(C)n1 ZINC001475060043 971063675 /nfs/dbraw/zinc/06/36/75/971063675.db2.gz IJPROMKBHIFJBQ-SNVBAGLBSA-N -1 3 298.368 1.442 20 30 CDEDHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(C#N)nc1 ZINC001258791319 945418385 /nfs/dbraw/zinc/41/83/85/945418385.db2.gz QCKIIQFQGJNTSF-UHFFFAOYSA-N -1 3 292.320 1.037 20 30 CDEDHM Cc1ncc(C#N)cc1[N-]S(=O)(=O)CCC(F)(F)F ZINC001259866621 945668598 /nfs/dbraw/zinc/66/85/98/945668598.db2.gz IOMFYDZWHKXKSM-UHFFFAOYSA-N -1 3 293.270 1.956 20 30 CDEDHM C=CCS(=O)(=O)[N-]c1cnc(OCC2CCC2)nc1 ZINC001259923412 945708734 /nfs/dbraw/zinc/70/87/34/945708734.db2.gz IUBXNPJALWZRRZ-UHFFFAOYSA-N -1 3 283.353 1.583 20 30 CDEDHM C#CCN(CC(=O)[O-])C(=O)CN(C)CCCCCC ZINC001602682868 971270776 /nfs/dbraw/zinc/27/07/76/971270776.db2.gz WBNCHXYVRMCBKT-UHFFFAOYSA-N -1 3 268.357 1.045 20 30 CDEDHM C=CCC(F)(F)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573326551 947374315 /nfs/dbraw/zinc/37/43/15/947374315.db2.gz QQAUPDMZYMEMGB-UHFFFAOYSA-N -1 3 280.238 1.412 20 30 CDEDHM C=CCC(F)(F)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573326551 947374325 /nfs/dbraw/zinc/37/43/25/947374325.db2.gz QQAUPDMZYMEMGB-UHFFFAOYSA-N -1 3 280.238 1.412 20 30 CDEDHM O=S(=O)([N-]CCS)c1ccc(Cl)s1 ZINC001256519258 948333467 /nfs/dbraw/zinc/33/34/67/948333467.db2.gz IIJUEZDXIQIVQC-UHFFFAOYSA-N -1 3 257.789 1.610 20 30 CDEDHM N#Cc1coc(C[N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258334998 948762744 /nfs/dbraw/zinc/76/27/44/948762744.db2.gz 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CDEDHM N#CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC000826381892 618592594 /nfs/dbraw/zinc/59/25/94/618592594.db2.gz DKNSYBNVRSVSGV-UHFFFAOYSA-N -1 3 285.311 1.103 20 30 CDEDHM Cc1nc(N2CCN(c3ccc(C#N)cc3)CC2)cc(=O)[n-]1 ZINC000895021315 619207984 /nfs/dbraw/zinc/20/79/84/619207984.db2.gz GTTODQBZMMMFMD-UHFFFAOYSA-N -1 3 295.346 1.689 20 30 CDEDHM COC(=O)c1csc(CN[C@H]2CCCN([O-])C2=O)c1 ZINC000895156558 619371495 /nfs/dbraw/zinc/37/14/95/619371495.db2.gz CVBWKUZRPVKUSS-JTQLQIEISA-N -1 3 284.337 1.005 20 30 CDEDHM O=C1[C@@H](NCc2ccnc(Cl)c2Cl)CCCN1[O-] ZINC000895161694 619379757 /nfs/dbraw/zinc/37/97/57/619379757.db2.gz SWTKONLZZXCGQL-QMMMGPOBSA-N -1 3 290.150 1.858 20 30 CDEDHM C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCCN([O-])C2=O)o1 ZINC000895165475 619393636 /nfs/dbraw/zinc/39/36/36/619393636.db2.gz LCVUASTUUWOKCM-ADEWGFFLSA-N -1 3 264.325 1.873 20 30 CDEDHM C=C[C@@](C)(CC)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739551 621857929 /nfs/dbraw/zinc/85/79/29/621857929.db2.gz KZHHLIRGXLSEDM-GWCFXTLKSA-N 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C#CCCS(=O)(=O)[N-][C@H](COC)c1ccc(CC)o1 ZINC000279464641 677710829 /nfs/dbraw/zinc/71/08/29/677710829.db2.gz MIUVVLRCKMZWBG-GFCCVEGCSA-N -1 3 285.365 1.472 20 30 CDEDHM CCS[C@@H](C(=O)N[C@H]1CCCN([O-])C1=O)C(C)C ZINC000820477309 677803864 /nfs/dbraw/zinc/80/38/64/677803864.db2.gz XBZSQUAVUJBUIL-VHSXEESVSA-N -1 3 274.386 1.261 20 30 CDEDHM O=C(CCc1cccs1)N[C@H]1CCCN([O-])C1=O ZINC000816758312 677756134 /nfs/dbraw/zinc/75/61/34/677756134.db2.gz MRLIQDFQWWKNGH-JTQLQIEISA-N -1 3 268.338 1.177 20 30 CDEDHM Cc1ccc(CCC(=O)N[C@H]2CCCN([O-])C2=O)c(C)c1 ZINC000816757169 677795809 /nfs/dbraw/zinc/79/58/09/677795809.db2.gz MWOJOEIIPLZHCJ-AWEZNQCLSA-N -1 3 290.363 1.732 20 30 CDEDHM C=CCCO[N-]C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000856030699 677887448 /nfs/dbraw/zinc/88/74/48/677887448.db2.gz MXOLIIYPVQNOPE-JTQLQIEISA-N -1 3 280.290 1.885 20 30 CDEDHM N#CCN1CC[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC001041952942 677954836 /nfs/dbraw/zinc/95/48/36/677954836.db2.gz JYFVQQPWGJWILG-JSGCOSHPSA-N -1 3 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/nfs/dbraw/zinc/03/05/79/1173030579.db2.gz GCELROOFSVYWSR-CYBMUJFWSA-N -1 3 298.350 1.410 20 30 CDEDHM C#C[C@H]1CCCCN1c1cc(F)ccc1-c1nnn[n-]1 ZINC001588331489 1173034152 /nfs/dbraw/zinc/03/41/52/1173034152.db2.gz BFVHIHKQZJSADG-NSHDSACASA-N -1 3 271.299 1.998 20 30 CDEDHM C#C[C@H]1CCCCN1c1cc(F)ccc1-c1nn[n-]n1 ZINC001588331489 1173034159 /nfs/dbraw/zinc/03/41/59/1173034159.db2.gz BFVHIHKQZJSADG-NSHDSACASA-N -1 3 271.299 1.998 20 30 CDEDHM C#CCCCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588345792 1173044384 /nfs/dbraw/zinc/04/43/84/1173044384.db2.gz RKZPOGRUINXBSD-UONOGXRCSA-N -1 3 295.346 1.500 20 30 CDEDHM C#CCCCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588345792 1173044388 /nfs/dbraw/zinc/04/43/88/1173044388.db2.gz RKZPOGRUINXBSD-UONOGXRCSA-N -1 3 295.346 1.500 20 30 CDEDHM C=C1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001588462579 1173066186 /nfs/dbraw/zinc/06/61/86/1173066186.db2.gz KZXYKSNWKGZSAG-UHFFFAOYSA-N -1 3 286.295 1.931 20 30 CDEDHM C=C1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001588462579 1173066190 /nfs/dbraw/zinc/06/61/90/1173066190.db2.gz KZXYKSNWKGZSAG-UHFFFAOYSA-N -1 3 286.295 1.931 20 30 CDEDHM C=C1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001588462759 1173067532 /nfs/dbraw/zinc/06/75/32/1173067532.db2.gz QSIUTWZSKDMIDI-UHFFFAOYSA-N -1 3 260.276 1.557 20 30 CDEDHM C=C1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001588462759 1173067539 /nfs/dbraw/zinc/06/75/39/1173067539.db2.gz QSIUTWZSKDMIDI-UHFFFAOYSA-N -1 3 260.276 1.557 20 30 CDEDHM C=CC[C@H](CO)Nc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001588545705 1173081387 /nfs/dbraw/zinc/08/13/87/1173081387.db2.gz LKCNJNGWBIMROO-MRVPVSSYSA-N -1 3 294.746 1.572 20 30 CDEDHM C=CC[C@H](CO)Nc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001588545705 1173081393 /nfs/dbraw/zinc/08/13/93/1173081393.db2.gz LKCNJNGWBIMROO-MRVPVSSYSA-N -1 3 294.746 1.572 20 30 CDEDHM C=CCCCCOC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC001588596617 1173086342 /nfs/dbraw/zinc/08/63/42/1173086342.db2.gz WWJRLKQQAYFLRI-UHFFFAOYSA-N -1 3 275.312 1.718 20 30 CDEDHM C=CCCCCOC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC001588596617 1173086348 /nfs/dbraw/zinc/08/63/48/1173086348.db2.gz WWJRLKQQAYFLRI-UHFFFAOYSA-N -1 3 275.312 1.718 20 30 CDEDHM C=CCCONC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001588617846 1173088543 /nfs/dbraw/zinc/08/85/43/1173088543.db2.gz COTSHXMYFINGLQ-UHFFFAOYSA-N -1 3 298.306 1.586 20 30 CDEDHM C=CCCONC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001588617846 1173088551 /nfs/dbraw/zinc/08/85/51/1173088551.db2.gz COTSHXMYFINGLQ-UHFFFAOYSA-N -1 3 298.306 1.586 20 30 CDEDHM C=CCOC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588665646 1173095469 /nfs/dbraw/zinc/09/54/69/1173095469.db2.gz OMIQQNXKCREUFP-UHFFFAOYSA-N -1 3 299.212 1.623 20 30 CDEDHM C=CCOCCSc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC001588689104 1173098775 /nfs/dbraw/zinc/09/87/75/1173098775.db2.gz FMANRAWIRYLFAK-UHFFFAOYSA-N -1 3 292.368 1.568 20 30 CDEDHM C=CCOCCSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC001588689104 1173098783 /nfs/dbraw/zinc/09/87/83/1173098783.db2.gz FMANRAWIRYLFAK-UHFFFAOYSA-N -1 3 292.368 1.568 20 30 CDEDHM C[C@@H](C#N)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001588931430 1173114605 /nfs/dbraw/zinc/11/46/05/1173114605.db2.gz YQBFDKKVLUWIOJ-QMMMGPOBSA-N -1 3 297.322 1.539 20 30 CDEDHM C[C@H](CC#N)N(C)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001589786780 1173178938 /nfs/dbraw/zinc/17/89/38/1173178938.db2.gz CNOVWDQNYQSTMK-MRVPVSSYSA-N -1 3 288.286 1.380 20 30 CDEDHM C[C@H](CC#N)N(C)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001589786780 1173178944 /nfs/dbraw/zinc/17/89/44/1173178944.db2.gz CNOVWDQNYQSTMK-MRVPVSSYSA-N -1 3 288.286 1.380 20 30 CDEDHM C[C@@]1(C#N)CN(c2cc(F)ccc2-c2nnn[n-]2)CCO1 ZINC001590056970 1173242862 /nfs/dbraw/zinc/24/28/62/1173242862.db2.gz VFIGINRSEKCGJB-CYBMUJFWSA-N -1 3 288.286 1.125 20 30 CDEDHM C[C@@]1(C#N)CN(c2cc(F)ccc2-c2nn[n-]n2)CCO1 ZINC001590056970 1173242866 /nfs/dbraw/zinc/24/28/66/1173242866.db2.gz VFIGINRSEKCGJB-CYBMUJFWSA-N -1 3 288.286 1.125 20 30 CDEDHM CC1(C#N)CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590056259 1173243892 /nfs/dbraw/zinc/24/38/92/1173243892.db2.gz DHBIXVWUUITILG-UHFFFAOYSA-N -1 3 283.295 1.244 20 30 CDEDHM CC1(C#N)CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590056259 1173243896 /nfs/dbraw/zinc/24/38/96/1173243896.db2.gz DHBIXVWUUITILG-UHFFFAOYSA-N -1 3 283.295 1.244 20 30 CDEDHM C[C@]1(C#N)CCN(c2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC001590056360 1173244291 /nfs/dbraw/zinc/24/42/91/1173244291.db2.gz IDYFSWFHVQIWOE-CQSZACIVSA-N -1 3 294.322 1.254 20 30 CDEDHM C[C@]1(C#N)CCN(c2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC001590056360 1173244293 /nfs/dbraw/zinc/24/42/93/1173244293.db2.gz IDYFSWFHVQIWOE-CQSZACIVSA-N -1 3 294.322 1.254 20 30 CDEDHM C[C@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCOC1 ZINC001590134349 1173267343 /nfs/dbraw/zinc/26/73/43/1173267343.db2.gz WLBLADSHEIYWSN-CQSZACIVSA-N -1 3 284.323 1.577 20 30 CDEDHM C[C@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCOC1 ZINC001590134349 1173267349 /nfs/dbraw/zinc/26/73/49/1173267349.db2.gz WLBLADSHEIYWSN-CQSZACIVSA-N -1 3 284.323 1.577 20 30 CDEDHM CCC#CCOC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001590352602 1173368254 /nfs/dbraw/zinc/36/82/54/1173368254.db2.gz CAXJMZMHJDEAFE-UHFFFAOYSA-N -1 3 270.292 1.745 20 30 CDEDHM CCC#CCOC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001590352602 1173368257 /nfs/dbraw/zinc/36/82/57/1173368257.db2.gz CAXJMZMHJDEAFE-UHFFFAOYSA-N -1 3 270.292 1.745 20 30 CDEDHM CC[C@H](C#N)C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001590367388 1173376821 /nfs/dbraw/zinc/37/68/21/1173376821.db2.gz PIABQCAAEYGXJT-SECBINFHSA-N -1 3 282.307 1.306 20 30 CDEDHM CC[C@H](C#N)C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001590367388 1173376831 /nfs/dbraw/zinc/37/68/31/1173376831.db2.gz PIABQCAAEYGXJT-SECBINFHSA-N -1 3 282.307 1.306 20 30 CDEDHM CC[C@@](C)(O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590385544 1173385709 /nfs/dbraw/zinc/38/57/09/1173385709.db2.gz WLBTVFORHAHSOL-CYBMUJFWSA-N -1 3 272.312 1.311 20 30 CDEDHM CC[C@@](C)(O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590385544 1173385714 /nfs/dbraw/zinc/38/57/14/1173385714.db2.gz WLBTVFORHAHSOL-CYBMUJFWSA-N -1 3 272.312 1.311 20 30 CDEDHM CCN(CC#N)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001590679628 1173489856 /nfs/dbraw/zinc/48/98/56/1173489856.db2.gz DPCDBUPHPDSAGN-UHFFFAOYSA-N -1 3 290.714 1.506 20 30 CDEDHM CCN(CC#N)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001590679628 1173489861 /nfs/dbraw/zinc/48/98/61/1173489861.db2.gz DPCDBUPHPDSAGN-UHFFFAOYSA-N -1 3 290.714 1.506 20 30 CDEDHM CCOCCCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001590805424 1173517106 /nfs/dbraw/zinc/51/71/06/1173517106.db2.gz CFFAHLVDPJWESE-UHFFFAOYSA-N -1 3 295.734 1.739 20 30 CDEDHM CCOCCCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001590805424 1173517109 /nfs/dbraw/zinc/51/71/09/1173517109.db2.gz CFFAHLVDPJWESE-UHFFFAOYSA-N -1 3 295.734 1.739 20 30 CDEDHM CO[C@H](C)CN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591323030 1173609489 /nfs/dbraw/zinc/60/94/89/1173609489.db2.gz KXLAWWMRPFIMMW-SECBINFHSA-N -1 3 272.312 1.209 20 30 CDEDHM CO[C@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001591355497 1173625698 /nfs/dbraw/zinc/62/56/98/1173625698.db2.gz ZLTKOUABPYXYLT-LBPRGKRZSA-N -1 3 298.350 1.744 20 30 CDEDHM CO[C@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001591355497 1173625702 /nfs/dbraw/zinc/62/57/02/1173625702.db2.gz ZLTKOUABPYXYLT-LBPRGKRZSA-N -1 3 298.350 1.744 20 30 CDEDHM COc1cc(Oc2cncc(C#N)n2)ccc1-c1nnn[n-]1 ZINC001591555515 1173668841 /nfs/dbraw/zinc/66/88/41/1173668841.db2.gz WIVOFBFQZWNMQT-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM COc1cc(Oc2cncc(C#N)n2)ccc1-c1nn[n-]n1 ZINC001591555515 1173668845 /nfs/dbraw/zinc/66/88/45/1173668845.db2.gz WIVOFBFQZWNMQT-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM COc1cc(OC(=O)CC2(C#N)CC2)ccc1-c1nnn[n-]1 ZINC001591548872 1173669332 /nfs/dbraw/zinc/66/93/32/1173669332.db2.gz BJRPSWCOOVPMAM-UHFFFAOYSA-N -1 3 299.290 1.475 20 30 CDEDHM COc1cc(OC(=O)CC2(C#N)CC2)ccc1-c1nn[n-]n1 ZINC001591548872 1173669336 /nfs/dbraw/zinc/66/93/36/1173669336.db2.gz BJRPSWCOOVPMAM-UHFFFAOYSA-N -1 3 299.290 1.475 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(N2CC[C@@](F)(C#N)C2)n1 ZINC001591854279 1173717942 /nfs/dbraw/zinc/71/79/42/1173717942.db2.gz HDHKETVTKXIQSU-GFCCVEGCSA-N -1 3 273.275 1.012 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(N2CC[C@@](F)(C#N)C2)n1 ZINC001591854279 1173717945 /nfs/dbraw/zinc/71/79/45/1173717945.db2.gz HDHKETVTKXIQSU-GFCCVEGCSA-N -1 3 273.275 1.012 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)O[C@H](C#N)C(C)C ZINC001591880736 1173735627 /nfs/dbraw/zinc/73/56/27/1173735627.db2.gz HRWOOOCZTDYCRO-SNVBAGLBSA-N -1 3 286.295 1.275 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)O[C@H](C#N)C(C)C ZINC001591880736 1173735634 /nfs/dbraw/zinc/73/56/34/1173735634.db2.gz HRWOOOCZTDYCRO-SNVBAGLBSA-N -1 3 286.295 1.275 20 30 CDEDHM Cc1ccc(CNC(=O)CCCCC#N)cc1-c1nnn[n-]1 ZINC001592157762 1173816524 /nfs/dbraw/zinc/81/65/24/1173816524.db2.gz CQRSIFCFTSIPFK-UHFFFAOYSA-N -1 3 298.350 1.875 20 30 CDEDHM Cc1ccc(CNC(=O)CCCCC#N)cc1-c1nn[n-]n1 ZINC001592157762 1173816527 /nfs/dbraw/zinc/81/65/27/1173816527.db2.gz CQRSIFCFTSIPFK-UHFFFAOYSA-N -1 3 298.350 1.875 20 30 CDEDHM N#Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC001592690107 1173971407 /nfs/dbraw/zinc/97/14/07/1173971407.db2.gz LRCXZBGVRGZZMH-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM N#Cc1ccc(CCn2cc(-c3nnn[n-]3)cn2)cc1 ZINC001592692870 1173973127 /nfs/dbraw/zinc/97/31/27/1173973127.db2.gz KVLVWPANEZBJSX-UHFFFAOYSA-N -1 3 265.280 1.178 20 30 CDEDHM N#Cc1ccc(CCn2cc(-c3nn[n-]n3)cn2)cc1 ZINC001592692870 1173973130 /nfs/dbraw/zinc/97/31/30/1173973130.db2.gz KVLVWPANEZBJSX-UHFFFAOYSA-N -1 3 265.280 1.178 20 30 CDEDHM N#Cc1nc(N)n(CC2CCC3(CC3)CC2)c1-c1nnn[n-]1 ZINC001592705877 1173979096 /nfs/dbraw/zinc/97/90/96/1173979096.db2.gz JTRVVRMPDKJCEJ-UHFFFAOYSA-N -1 3 298.354 1.487 20 30 CDEDHM N#Cc1nc(N)n(CC2CCC3(CC3)CC2)c1-c1nn[n-]n1 ZINC001592705877 1173979102 /nfs/dbraw/zinc/97/91/02/1173979102.db2.gz JTRVVRMPDKJCEJ-UHFFFAOYSA-N -1 3 298.354 1.487 20 30 CDEDHM c1cc(-c2nnn[n-]2)cc2c1CCC2=NNC1CC1 ZINC001593567296 1174142452 /nfs/dbraw/zinc/14/24/52/1174142452.db2.gz XGOBGAQQFJHTIF-UHFFFAOYSA-N -1 3 254.297 1.269 20 30 CDEDHM c1cc(-c2nn[n-]n2)cc2c1CCC2=NNC1CC1 ZINC001593567296 1174142454 /nfs/dbraw/zinc/14/24/54/1174142454.db2.gz XGOBGAQQFJHTIF-UHFFFAOYSA-N -1 3 254.297 1.269 20 30 CDEDHM Cn1ccnc1C(C#N)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001600982013 1174691118 /nfs/dbraw/zinc/69/11/18/1174691118.db2.gz SJECGQDXUUBMCZ-AEJSXWLSSA-N -1 3 261.281 1.097 20 30 CDEDHM N#Cc1ccc(CCN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)cc1 ZINC001601098426 1174742001 /nfs/dbraw/zinc/74/20/01/1174742001.db2.gz XCRPERMUQKJZJF-INIZCTEOSA-N -1 3 299.330 1.406 20 30 CDEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CC[C@@H](n3cncn3)C2)c1 ZINC001601119711 1174749585 /nfs/dbraw/zinc/74/95/85/1174749585.db2.gz WTFUUGAKXNPAPJ-ZIAGYGMSSA-N -1 3 297.318 1.222 20 30 CDEDHM N#Cc1cnc(Cl)c(CN[C@@H]2CC=C(C(=O)[O-])C2)c1 ZINC001601130183 1174754881 /nfs/dbraw/zinc/75/48/81/1174754881.db2.gz LQQPILYJFGUBEU-LLVKDONJSA-N -1 3 277.711 1.870 20 30 CDEDHM C#C[C@H](CC)OC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602689946 1175355915 /nfs/dbraw/zinc/35/59/15/1175355915.db2.gz XESNGIUXKXMXKI-CYBMUJFWSA-N -1 3 296.330 1.853 20 30 CDEDHM C#C[C@H](CC)OC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602689946 1175355922 /nfs/dbraw/zinc/35/59/22/1175355922.db2.gz XESNGIUXKXMXKI-CYBMUJFWSA-N -1 3 296.330 1.853 20 30 CDEDHM C#CC[C@H](NCc1cc(OC)ccc1OC(F)F)C(=O)[O-] ZINC001602693754 1175358852 /nfs/dbraw/zinc/35/88/52/1175358852.db2.gz ADJCDZVCNWIEMQ-NSHDSACASA-N -1 3 299.273 1.863 20 30 CDEDHM C#CC[C@H](CCOC)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602697726 1175363467 /nfs/dbraw/zinc/36/34/67/1175363467.db2.gz QELOFHWNYCLOIW-LLVKDONJSA-N -1 3 272.312 1.102 20 30 CDEDHM C#CC[C@H](CCOC)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602697726 1175363473 /nfs/dbraw/zinc/36/34/73/1175363473.db2.gz QELOFHWNYCLOIW-LLVKDONJSA-N -1 3 272.312 1.102 20 30 CDEDHM C#CCN(c1ccc(-c2nnn[n-]2)c(C)n1)C1CCCC1 ZINC001602717917 1175370540 /nfs/dbraw/zinc/37/05/40/1175370540.db2.gz IQMITUUADGUNAD-UHFFFAOYSA-N -1 3 282.351 1.952 20 30 CDEDHM C#CCN(c1ccc(-c2nn[n-]n2)c(C)n1)C1CCCC1 ZINC001602717917 1175370547 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CC(C)OCCO[N-]C(=O)Cc1cccc(C#N)c1 ZINC000812803810 683443628 /nfs/dbraw/zinc/44/36/28/683443628.db2.gz XHDXWDSCCWRMMY-UHFFFAOYSA-N -1 3 262.309 1.574 20 30 CDEDHM COc1ncc[n-]c1=NNC1=C[C@@H](C(F)(F)F)OCC1 ZINC000814905807 683468510 /nfs/dbraw/zinc/46/85/10/683468510.db2.gz TULLNZVQVORAPE-QMMMGPOBSA-N -1 3 290.245 1.994 20 30 CDEDHM C=C(Cl)CN[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000998955962 683470628 /nfs/dbraw/zinc/47/06/28/683470628.db2.gz UEXDBTLVGMMGFT-SNVBAGLBSA-N -1 3 298.774 1.370 20 30 CDEDHM CC(C)Oc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848138287 683510847 /nfs/dbraw/zinc/51/08/47/683510847.db2.gz OFLIJWKPOVERRF-ZDUSSCGKSA-N -1 3 292.335 1.584 20 30 CDEDHM Cc1ccc(C#N)cc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000935339725 683615320 /nfs/dbraw/zinc/61/53/20/683615320.db2.gz XFXBJBMAXKVPOZ-UHFFFAOYSA-N -1 3 294.314 1.561 20 30 CDEDHM C=CCO[N-]C(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC000837045513 683753044 /nfs/dbraw/zinc/75/30/44/683753044.db2.gz ZMQKHNPYMMCLMG-CYBMUJFWSA-N -1 3 277.320 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/nfs/dbraw/zinc/09/77/43/684097743.db2.gz MEJDRPKEYSJFRG-LBPRGKRZSA-N -1 3 292.335 1.124 20 30 CDEDHM C[C@@H]1CN=C(NN=Cc2cccc(Br)c2[O-])N1 ZINC000779792162 684157085 /nfs/dbraw/zinc/15/70/85/684157085.db2.gz JZCHJMXCDWMUAN-SSDOTTSWSA-N -1 3 297.156 1.426 20 30 CDEDHM C#CC[C@H](NCc1c([O-])cccc1Cl)C(=O)OC ZINC000839167153 684219975 /nfs/dbraw/zinc/21/99/75/684219975.db2.gz UGLYBQAMFVGMIY-NSHDSACASA-N -1 3 267.712 1.700 20 30 CDEDHM C=CCOCCOc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001602870043 1175439231 /nfs/dbraw/zinc/43/92/31/1175439231.db2.gz HTLHKPGPZFDZPB-UHFFFAOYSA-N -1 3 264.260 1.587 20 30 CDEDHM C=CCOCCOc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001602870043 1175439235 /nfs/dbraw/zinc/43/92/35/1175439235.db2.gz HTLHKPGPZFDZPB-UHFFFAOYSA-N -1 3 264.260 1.587 20 30 CDEDHM CCCCNN=C(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001604185209 1163118600 /nfs/dbraw/zinc/11/86/00/1163118600.db2.gz HAWDOAAXNICFSK-UHFFFAOYSA-N -1 3 259.317 1.375 20 30 CDEDHM CCCCNN=C(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001604185209 1163118607 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O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc(CO)on1 ZINC001606481698 1163914546 /nfs/dbraw/zinc/91/45/46/1163914546.db2.gz IKHPPUOHOUXENQ-SNAWJCMRSA-N -1 3 297.274 1.243 20 30 CDEDHM Cn1ccnc1C(C#N)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001608130956 1164420613 /nfs/dbraw/zinc/42/06/13/1164420613.db2.gz DAUZSDCMIRIPBB-GFCCVEGCSA-N -1 3 283.287 1.537 20 30 CDEDHM C#CCC(CC#C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001609020344 1164729667 /nfs/dbraw/zinc/72/96/67/1164729667.db2.gz YYEWEYONPFNBIA-UHFFFAOYSA-N -1 3 293.330 1.776 20 30 CDEDHM C#CCC(CC#C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001609020344 1164729676 /nfs/dbraw/zinc/72/96/76/1164729676.db2.gz YYEWEYONPFNBIA-UHFFFAOYSA-N -1 3 293.330 1.776 20 30 CDEDHM CC(=NN[C@H]1CCCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC001609060810 1164754358 /nfs/dbraw/zinc/75/43/58/1164754358.db2.gz FOJPFOLLGRZWSD-ZDUSSCGKSA-N -1 3 286.339 1.359 20 30 CDEDHM CC(=NN[C@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC001609060810 1164754362 /nfs/dbraw/zinc/75/43/62/1164754362.db2.gz FOJPFOLLGRZWSD-ZDUSSCGKSA-N -1 3 286.339 1.359 20 30 CDEDHM Cn1nccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609483189 1164970261 /nfs/dbraw/zinc/97/02/61/1164970261.db2.gz OAJMNNMTAHTCBD-WAYWQWQTSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1nccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609483189 1164970271 /nfs/dbraw/zinc/97/02/71/1164970271.db2.gz OAJMNNMTAHTCBD-WAYWQWQTSA-N -1 3 280.291 1.496 20 30 CDEDHM N#CCC1(CNc2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001609494324 1164974059 /nfs/dbraw/zinc/97/40/59/1164974059.db2.gz BLJWQBRHBNGOPI-UHFFFAOYSA-N -1 3 255.285 1.367 20 30 CDEDHM N#CCC1(CNc2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001609494324 1164974066 /nfs/dbraw/zinc/97/40/66/1164974066.db2.gz BLJWQBRHBNGOPI-UHFFFAOYSA-N -1 3 255.285 1.367 20 30 CDEDHM N#CCC[C@H](C#N)COc1ccccc1-c1nnn[n-]1 ZINC001609494785 1164975185 /nfs/dbraw/zinc/97/51/85/1164975185.db2.gz NDBWYBMYVCJWRI-SNVBAGLBSA-N -1 3 268.280 1.689 20 30 CDEDHM N#CCC[C@H](C#N)COc1ccccc1-c1nn[n-]n1 ZINC001609494785 1164975191 /nfs/dbraw/zinc/97/51/91/1164975191.db2.gz NDBWYBMYVCJWRI-SNVBAGLBSA-N -1 3 268.280 1.689 20 30 CDEDHM O=C(C#CC1CC1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609515214 1164980031 /nfs/dbraw/zinc/98/00/31/1164980031.db2.gz ZOIWITUYDSHPLA-UHFFFAOYSA-N -1 3 286.266 1.462 20 30 CDEDHM O=C(C#CC1CC1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609515214 1164980037 /nfs/dbraw/zinc/98/00/37/1164980037.db2.gz ZOIWITUYDSHPLA-UHFFFAOYSA-N -1 3 286.266 1.462 20 30 CDEDHM Cc1ccc(C#N)c(N2CCN(C(C)(C)C(=O)[O-])CC2)n1 ZINC001610482604 1165327068 /nfs/dbraw/zinc/32/70/68/1165327068.db2.gz UWFNJGZJFXZBRF-UHFFFAOYSA-N -1 3 288.351 1.247 20 30 CDEDHM Cc1nc(C)c(CC(=O)N2CCC[C@H](CC#N)C2)c(=O)[n-]1 ZINC001647307756 1168545154 /nfs/dbraw/zinc/54/51/54/1168545154.db2.gz HQQZHHOAFQWBQY-GFCCVEGCSA-N -1 3 288.351 1.494 20 30 CDEDHM N[C@H](Cc1ccccn1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001580408805 1172425903 /nfs/dbraw/zinc/42/59/03/1172425903.db2.gz HCTFERAIHGSVKR-CQSZACIVSA-N -1 3 289.310 1.509 20 30 CDEDHM N#Cc1cc(NCCc2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC001581870954 1172626314 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/nfs/dbraw/zinc/08/60/85/1173086085.db2.gz MIYHRYMLRHFJOL-UHFFFAOYSA-N -1 3 274.328 1.589 20 30 CDEDHM C=CCCONC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001588618099 1173088785 /nfs/dbraw/zinc/08/87/85/1173088785.db2.gz RPLSITOYKRBLPP-UHFFFAOYSA-N -1 3 265.298 1.166 20 30 CDEDHM C=CCCONC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001588618099 1173088792 /nfs/dbraw/zinc/08/87/92/1173088792.db2.gz RPLSITOYKRBLPP-UHFFFAOYSA-N -1 3 265.298 1.166 20 30 CDEDHM C=CCCOCCNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001588617932 1173089162 /nfs/dbraw/zinc/08/91/62/1173089162.db2.gz IMAOFJPBDUCPKN-UHFFFAOYSA-N -1 3 294.746 1.920 20 30 CDEDHM C=CCCOCCNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001588617932 1173089168 /nfs/dbraw/zinc/08/91/68/1173089168.db2.gz IMAOFJPBDUCPKN-UHFFFAOYSA-N -1 3 294.746 1.920 20 30 CDEDHM C=CCCOCCNCc1nc(-c2nnn[n-]2)cs1 ZINC001588617987 1173089363 /nfs/dbraw/zinc/08/93/63/1173089363.db2.gz LTVWKTGXBOARDD-UHFFFAOYSA-N -1 3 280.357 1.006 20 30 CDEDHM C=CCCOCCNCc1nc(-c2nn[n-]n2)cs1 ZINC001588617987 1173089369 /nfs/dbraw/zinc/08/93/69/1173089369.db2.gz LTVWKTGXBOARDD-UHFFFAOYSA-N -1 3 280.357 1.006 20 30 CDEDHM C=CCN(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588626917 1173090110 /nfs/dbraw/zinc/09/01/10/1173090110.db2.gz VPEGPBGGERMRCP-UHFFFAOYSA-N -1 3 290.302 1.333 20 30 CDEDHM C=CCN(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001588626917 1173090114 /nfs/dbraw/zinc/09/01/14/1173090114.db2.gz VPEGPBGGERMRCP-UHFFFAOYSA-N -1 3 290.302 1.333 20 30 CDEDHM C=CCN(C)[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588625908 1173091628 /nfs/dbraw/zinc/09/16/28/1173091628.db2.gz AXUKLCRHNCYQRV-SNVBAGLBSA-N -1 3 286.339 1.312 20 30 CDEDHM C=CCN(C)[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588625908 1173091633 /nfs/dbraw/zinc/09/16/33/1173091633.db2.gz AXUKLCRHNCYQRV-SNVBAGLBSA-N -1 3 286.339 1.312 20 30 CDEDHM C=CCO[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC001588665960 1173098032 /nfs/dbraw/zinc/09/80/32/1173098032.db2.gz VETOJHRYIVNHAZ-ZDUSSCGKSA-N -1 3 285.351 1.956 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588728579 1173101009 /nfs/dbraw/zinc/10/10/09/1173101009.db2.gz SKMOJPMLLNGCHX-OLZOCXBDSA-N -1 3 299.334 1.248 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588728579 1173101011 /nfs/dbraw/zinc/10/10/11/1173101011.db2.gz SKMOJPMLLNGCHX-OLZOCXBDSA-N -1 3 299.334 1.248 20 30 CDEDHM C=Cn1cc(C=NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001588737761 1173102172 /nfs/dbraw/zinc/10/21/72/1173102172.db2.gz IJJDKQALNXMPDI-UHFFFAOYSA-N -1 3 280.295 1.610 20 30 CDEDHM C=Cn1cc(C=NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001588737761 1173102177 /nfs/dbraw/zinc/10/21/77/1173102177.db2.gz IJJDKQALNXMPDI-UHFFFAOYSA-N -1 3 280.295 1.610 20 30 CDEDHM CC#CCCNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588745667 1173102534 /nfs/dbraw/zinc/10/25/34/1173102534.db2.gz AADMDVDAEGRHTP-LLVKDONJSA-N -1 3 299.334 1.164 20 30 CDEDHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001589503343 1173150444 /nfs/dbraw/zinc/15/04/44/1173150444.db2.gz RBTHCNDTUKYHEG-WCQYABFASA-N -1 3 296.334 1.969 20 30 CDEDHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001589503343 1173150447 /nfs/dbraw/zinc/15/04/47/1173150447.db2.gz RBTHCNDTUKYHEG-WCQYABFASA-N -1 3 296.334 1.969 20 30 CDEDHM C[C@@]1(CN=Nc2ccc(-c3nnn[n-]3)cn2)CCCS1 ZINC001590121213 1173265584 /nfs/dbraw/zinc/26/55/84/1173265584.db2.gz ZKZOZAOHPHKZLS-LBPRGKRZSA-N -1 3 289.368 1.945 20 30 CDEDHM C[C@@]1(CN=Nc2ccc(-c3nn[n-]n3)cn2)CCCS1 ZINC001590121213 1173265589 /nfs/dbraw/zinc/26/55/89/1173265589.db2.gz ZKZOZAOHPHKZLS-LBPRGKRZSA-N -1 3 289.368 1.945 20 30 CDEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCOC1 ZINC001590134348 1173266390 /nfs/dbraw/zinc/26/63/90/1173266390.db2.gz WLBLADSHEIYWSN-AWEZNQCLSA-N -1 3 284.323 1.577 20 30 CDEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCOC1 ZINC001590134348 1173266395 /nfs/dbraw/zinc/26/63/95/1173266395.db2.gz WLBLADSHEIYWSN-AWEZNQCLSA-N -1 3 284.323 1.577 20 30 CDEDHM C/C=C/COC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590355606 1173370907 /nfs/dbraw/zinc/37/09/07/1173370907.db2.gz SUOWKFJPZZSEBA-IBUXWKBASA-N -1 3 297.318 1.668 20 30 CDEDHM C/C=C/COC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590355606 1173370910 /nfs/dbraw/zinc/37/09/10/1173370910.db2.gz SUOWKFJPZZSEBA-IBUXWKBASA-N -1 3 297.318 1.668 20 30 CDEDHM CC[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590367337 1173376574 /nfs/dbraw/zinc/37/65/74/1173376574.db2.gz MZCMLSKTNIQPOU-UWVGGRQHSA-N -1 3 284.323 1.594 20 30 CDEDHM CC[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590367337 1173376581 /nfs/dbraw/zinc/37/65/81/1173376581.db2.gz MZCMLSKTNIQPOU-UWVGGRQHSA-N -1 3 284.323 1.594 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001590367477 1173377608 /nfs/dbraw/zinc/37/76/08/1173377608.db2.gz ANYIUBRXDWWQRI-MRVPVSSYSA-N -1 3 272.268 1.029 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001590367477 1173377613 /nfs/dbraw/zinc/37/76/13/1173377613.db2.gz ANYIUBRXDWWQRI-MRVPVSSYSA-N -1 3 272.268 1.029 20 30 CDEDHM CN(CCC#N)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001591062133 1173567399 /nfs/dbraw/zinc/56/73/99/1173567399.db2.gz PMAOXJCZODQSJN-QWHCGFSZSA-N -1 3 296.334 1.342 20 30 CDEDHM CN(CCC#N)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001591062133 1173567401 /nfs/dbraw/zinc/56/74/01/1173567401.db2.gz PMAOXJCZODQSJN-QWHCGFSZSA-N -1 3 296.334 1.342 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1OCC1(CC#N)CC1 ZINC001591499858 1173664405 /nfs/dbraw/zinc/66/44/05/1173664405.db2.gz DLKAXGMMSFEJMH-UHFFFAOYSA-N -1 3 285.307 1.948 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1OCC1(CC#N)CC1 ZINC001591499858 1173664411 /nfs/dbraw/zinc/66/44/11/1173664411.db2.gz DLKAXGMMSFEJMH-UHFFFAOYSA-N -1 3 285.307 1.948 20 30 CDEDHM Cc1cc(OC(=O)CSCC#N)ccc1-c1nnn[n-]1 ZINC001592056023 1173788347 /nfs/dbraw/zinc/78/83/47/1173788347.db2.gz JHNATDIJHHLLPY-UHFFFAOYSA-N -1 3 289.320 1.337 20 30 CDEDHM Cc1cc(OC(=O)CSCC#N)ccc1-c1nn[n-]n1 ZINC001592056023 1173788353 /nfs/dbraw/zinc/78/83/53/1173788353.db2.gz JHNATDIJHHLLPY-UHFFFAOYSA-N -1 3 289.320 1.337 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H](C#N)C1 ZINC001592096906 1173799176 /nfs/dbraw/zinc/79/91/76/1173799176.db2.gz IFRUEUZYBXMZHG-LLVKDONJSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H](C#N)C1 ZINC001592096906 1173799181 /nfs/dbraw/zinc/79/91/81/1173799181.db2.gz IFRUEUZYBXMZHG-LLVKDONJSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1ccc(C(=O)N(C)C[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001592117843 1173805380 /nfs/dbraw/zinc/80/53/80/1173805380.db2.gz JWXFDPAAPPYITN-SECBINFHSA-N -1 3 284.323 1.407 20 30 CDEDHM Cc1ccc(C(=O)N(C)C[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC001592117843 1173805383 /nfs/dbraw/zinc/80/53/83/1173805383.db2.gz JWXFDPAAPPYITN-SECBINFHSA-N -1 3 284.323 1.407 20 30 CDEDHM Cc1ccc(CN(CCC#N)CCC#N)cc1-c1nnn[n-]1 ZINC001592152918 1173814852 /nfs/dbraw/zinc/81/48/52/1173814852.db2.gz PXAZTJLHUIHFMC-UHFFFAOYSA-N -1 3 295.350 1.804 20 30 CDEDHM Cc1ccc(CN(CCC#N)CCC#N)cc1-c1nn[n-]n1 ZINC001592152918 1173814858 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N#CC[C@H]1CCCN([C@H](C(=O)[O-])c2cccnc2)C1 ZINC001601063898 1174723204 /nfs/dbraw/zinc/72/32/04/1174723204.db2.gz DDJUXOHGRATLKH-YPMHNXCESA-N -1 3 259.309 1.833 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001602687157 1175351813 /nfs/dbraw/zinc/35/18/13/1175351813.db2.gz AHTAZEZCDHEZJF-NSHDSACASA-N -1 3 299.334 1.164 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001602687157 1175351819 /nfs/dbraw/zinc/35/18/19/1175351819.db2.gz AHTAZEZCDHEZJF-NSHDSACASA-N -1 3 299.334 1.164 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001602689739 1175355365 /nfs/dbraw/zinc/35/53/65/1175355365.db2.gz LJGWVPLXGZOQTM-AWEZNQCLSA-N -1 3 287.298 1.538 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001602689739 1175355373 /nfs/dbraw/zinc/35/53/73/1175355373.db2.gz LJGWVPLXGZOQTM-AWEZNQCLSA-N -1 3 287.298 1.538 20 30 CDEDHM C#CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)[O-] ZINC001602694525 1175358523 /nfs/dbraw/zinc/35/85/23/1175358523.db2.gz NSJNGVXNLYKOGT-SNVBAGLBSA-N -1 3 283.711 1.620 20 30 CDEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602696582 1175361773 /nfs/dbraw/zinc/36/17/73/1175361773.db2.gz KKZPXKASUQLHPK-CYBMUJFWSA-N -1 3 281.319 1.495 20 30 CDEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602696582 1175361780 /nfs/dbraw/zinc/36/17/80/1175361780.db2.gz KKZPXKASUQLHPK-CYBMUJFWSA-N -1 3 281.319 1.495 20 30 CDEDHM C#CC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC001602699889 1175363778 /nfs/dbraw/zinc/36/37/78/1175363778.db2.gz MPZCNKOMNXSKPW-GFCCVEGCSA-N -1 3 295.346 1.661 20 30 CDEDHM C#CC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC001602699889 1175363782 /nfs/dbraw/zinc/36/37/82/1175363782.db2.gz MPZCNKOMNXSKPW-GFCCVEGCSA-N -1 3 295.346 1.661 20 30 CDEDHM C#CCN(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001602718703 1175373509 /nfs/dbraw/zinc/37/35/09/1175373509.db2.gz ZWWMGOVJRDWBRD-UHFFFAOYSA-N -1 3 298.306 1.373 20 30 CDEDHM C#CCN(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001602718703 1175373513 /nfs/dbraw/zinc/37/35/13/1175373513.db2.gz ZWWMGOVJRDWBRD-UHFFFAOYSA-N -1 3 298.306 1.373 20 30 CDEDHM C=C(CC)C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001602769610 1175394037 /nfs/dbraw/zinc/39/40/37/1175394037.db2.gz BIAZUVOHDRNSFB-CYBMUJFWSA-N -1 3 283.335 1.416 20 30 CDEDHM C=C(CC)C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001602769610 1175394042 /nfs/dbraw/zinc/39/40/42/1175394042.db2.gz BIAZUVOHDRNSFB-CYBMUJFWSA-N -1 3 283.335 1.416 20 30 CDEDHM C=C[C@](C)(O)CC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001602791735 1175403740 /nfs/dbraw/zinc/40/37/40/1175403740.db2.gz AMBRSFQSLIHKKE-ZDUSSCGKSA-N -1 3 291.286 1.271 20 30 CDEDHM C=C[C@](C)(O)CC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001602791735 1175403743 /nfs/dbraw/zinc/40/37/43/1175403743.db2.gz AMBRSFQSLIHKKE-ZDUSSCGKSA-N -1 3 291.286 1.271 20 30 CDEDHM C=C[C@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602798558 1175405856 /nfs/dbraw/zinc/40/58/56/1175405856.db2.gz PIQHYZLZUJQEOM-GXFFZTMASA-N -1 3 296.334 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CC(C)[C@H](C#N)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735689947 575502515 /nfs/dbraw/zinc/50/25/15/575502515.db2.gz FHPRSHMIODWDAJ-QMMMGPOBSA-N -1 3 276.325 1.206 20 30 CDEDHM COc1cccc([O-])c1C=NOC1CCOCC1 ZINC000774435913 575204822 /nfs/dbraw/zinc/20/48/22/575204822.db2.gz LIAJTAAMNJSTMT-UHFFFAOYSA-N -1 3 251.282 1.930 20 30 CDEDHM CCCCCCCCC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000759625786 576412511 /nfs/dbraw/zinc/41/25/11/576412511.db2.gz LDLASMQLWSWSNQ-LBPRGKRZSA-N -1 3 295.383 1.500 20 30 CDEDHM [O-]c1ccccc1/C=N/Cc1nnnn1CC1CC1 ZINC000769718861 575377964 /nfs/dbraw/zinc/37/79/64/575377964.db2.gz VBSPMTAWWVZPEU-VGOFMYFVSA-N -1 3 257.297 1.408 20 30 CDEDHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](C#N)C1 ZINC000736198394 575587237 /nfs/dbraw/zinc/58/72/37/575587237.db2.gz HPKSNRYRUYUOJD-GWCFXTLKSA-N -1 3 284.323 1.152 20 30 CDEDHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](C#N)C1 ZINC000736198394 575587239 /nfs/dbraw/zinc/58/72/39/575587239.db2.gz HPKSNRYRUYUOJD-GWCFXTLKSA-N -1 3 284.323 1.152 20 30 CDEDHM CCN(CCC#N)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736534207 575683367 /nfs/dbraw/zinc/68/33/67/575683367.db2.gz HVDKBKZFRKEMDS-UHFFFAOYSA-N -1 3 284.323 1.171 20 30 CDEDHM CCN(CCC#N)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736534207 575683370 /nfs/dbraw/zinc/68/33/70/575683370.db2.gz HVDKBKZFRKEMDS-UHFFFAOYSA-N -1 3 284.323 1.171 20 30 CDEDHM CCOCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736611551 575704661 /nfs/dbraw/zinc/70/46/61/575704661.db2.gz RVYHGFCLVGKNGI-UHFFFAOYSA-N -1 3 286.295 1.103 20 30 CDEDHM CCOCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736611551 575704662 /nfs/dbraw/zinc/70/46/62/575704662.db2.gz RVYHGFCLVGKNGI-UHFFFAOYSA-N -1 3 286.295 1.103 20 30 CDEDHM C=CCNC(=O)[C@H](C)OC(=O)c1c([O-])cccc1F ZINC000772575829 575724363 /nfs/dbraw/zinc/72/43/63/575724363.db2.gz AQRROIUGLOLMRI-QMMMGPOBSA-N -1 3 267.256 1.379 20 30 CDEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)[C@@H]1CCCO1 ZINC000773048303 575776423 /nfs/dbraw/zinc/77/64/23/575776423.db2.gz FZVMVACSTVRCII-STQMWFEESA-N -1 3 297.351 1.593 20 30 CDEDHM COc1ccc(CN=Nc2ncccn2)cc1-c1nnn[n-]1 ZINC000737083837 575814546 /nfs/dbraw/zinc/81/45/46/575814546.db2.gz WQILQVBUEKEYFN-UHFFFAOYSA-N -1 3 296.294 1.111 20 30 CDEDHM COc1ccc(CN=Nc2ncccn2)cc1-c1nn[n-]n1 ZINC000737083837 575814547 /nfs/dbraw/zinc/81/45/47/575814547.db2.gz WQILQVBUEKEYFN-UHFFFAOYSA-N -1 3 296.294 1.111 20 30 CDEDHM CS(=O)(=O)[N-]N=C(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000764706845 575936445 /nfs/dbraw/zinc/93/64/45/575936445.db2.gz FYHTVVNQVPFFGO-UHFFFAOYSA-N -1 3 297.336 1.453 20 30 CDEDHM COc1ccc2c(c1)C(=N[N-]S(C)(=O)=O)CCC2 ZINC000764709430 575937091 /nfs/dbraw/zinc/93/70/91/575937091.db2.gz YQBDDYWGXXVDBB-UHFFFAOYSA-N -1 3 268.338 1.285 20 30 CDEDHM CS(=O)(=O)[N-]N=C1CSCCc2ccccc21 ZINC000764708744 575937189 /nfs/dbraw/zinc/93/71/89/575937189.db2.gz RRQHUQHFFBOPDD-UHFFFAOYSA-N -1 3 270.379 1.229 20 30 CDEDHM O=C1CN(N=Cc2sccc2Br)C(=O)[N-]1 ZINC000764899859 575962800 /nfs/dbraw/zinc/96/28/00/575962800.db2.gz KHHUAELOBHZJNK-UHFFFAOYSA-N -1 3 288.126 1.396 20 30 CDEDHM N#CCCCOC(=O)c1ccc2c(C=O)n[n-]c2c1 ZINC000766184999 576084134 /nfs/dbraw/zinc/08/41/34/576084134.db2.gz RZDBIXBCMCHQKW-UHFFFAOYSA-N -1 3 257.249 1.836 20 30 CDEDHM N#CCCCOC(=O)c1ccc2c(C=O)[n-]nc2c1 ZINC000766184999 576084137 /nfs/dbraw/zinc/08/41/37/576084137.db2.gz RZDBIXBCMCHQKW-UHFFFAOYSA-N -1 3 257.249 1.836 20 30 CDEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768843784 576312603 /nfs/dbraw/zinc/31/26/03/576312603.db2.gz NAFBCYSKEBOUMQ-LURJTMIESA-N -1 3 275.311 1.094 20 30 CDEDHM Cc1nc(C)c(CC(=O)Nc2ncc(C#N)s2)c(=O)[n-]1 ZINC000759632144 576413045 /nfs/dbraw/zinc/41/30/45/576413045.db2.gz DPBNTVRFQKDUSI-UHFFFAOYSA-N -1 3 289.320 1.308 20 30 CDEDHM Cc1ccccc1CCCn1ccc(C=N[O-])nc1=O ZINC000759766377 576427455 /nfs/dbraw/zinc/42/74/55/576427455.db2.gz MNPFSYVJOWTRQW-UHFFFAOYSA-N -1 3 271.320 1.993 20 30 CDEDHM Cn1cc(NN=C2C(=O)[N-]c3c2c(Cl)ccc3F)cn1 ZINC000761885772 576603677 /nfs/dbraw/zinc/60/36/77/576603677.db2.gz SGAGJYRMVGXGNT-UHFFFAOYSA-N -1 3 293.689 1.981 20 30 CDEDHM COCC#CCOC(=O)c1ccc([O-])c(OC)c1 ZINC000762828397 576678253 /nfs/dbraw/zinc/67/82/53/576678253.db2.gz MBCHDJJJEPGASS-UHFFFAOYSA-N -1 3 250.250 1.207 20 30 CDEDHM COc1ccc(C=NN2CC(=O)[N-]C2=O)cc1OC(F)F ZINC000744809995 576699231 /nfs/dbraw/zinc/69/92/31/576699231.db2.gz HUJWXRHQGITBSU-UHFFFAOYSA-N -1 3 299.233 1.182 20 30 CDEDHM CO[C@@H](C)C(C)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000763162679 576717782 /nfs/dbraw/zinc/71/77/82/576717782.db2.gz MXLIOWPRORLBQF-NSHDSACASA-N -1 3 270.354 1.517 20 30 CDEDHM COc1cc(C(=O)[O-])ccc1N=NC1C[C@H](C)N(C)C1 ZINC000756901282 577014132 /nfs/dbraw/zinc/01/41/32/577014132.db2.gz NNQFDAFDYQTCOC-VIFPVBQESA-N -1 3 277.324 1.885 20 30 CDEDHM CCOc1ccc(/C=N/CCN2CCO[C@H](C)C2)c([O-])c1 ZINC000750950353 577018497 /nfs/dbraw/zinc/01/84/97/577018497.db2.gz SXWLPEWUQZMVIE-VVBXCHJUSA-N -1 3 292.379 1.931 20 30 CDEDHM O=C(C#Cc1ccccc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000752776548 577126345 /nfs/dbraw/zinc/12/63/45/577126345.db2.gz LTRASWRUFVNHEP-UHFFFAOYSA-N -1 3 279.299 1.119 20 30 CDEDHM C#Cc1ccc(C(=O)Nc2nc(C)ccc2[O-])nc1 ZINC000753466704 577170958 /nfs/dbraw/zinc/17/09/58/577170958.db2.gz UKJASOGIHWYHBM-UHFFFAOYSA-N -1 3 253.261 1.724 20 30 CDEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccnc1 ZINC000819718836 607252369 /nfs/dbraw/zinc/25/23/69/607252369.db2.gz SNEIBDJNYVBTDT-UHFFFAOYSA-N -1 3 279.307 1.385 20 30 CDEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000819718836 607252370 /nfs/dbraw/zinc/25/23/70/607252370.db2.gz SNEIBDJNYVBTDT-UHFFFAOYSA-N -1 3 279.307 1.385 20 30 CDEDHM Oc1ccccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823733123 607252743 /nfs/dbraw/zinc/25/27/43/607252743.db2.gz UECKXDJHYIKEFX-UHFFFAOYSA-N -1 3 294.318 1.696 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000818193611 597074231 /nfs/dbraw/zinc/07/42/31/597074231.db2.gz DODMHUJCLMGJAH-STQMWFEESA-N -1 3 295.383 1.181 20 30 CDEDHM C=C[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819730426 607289679 /nfs/dbraw/zinc/28/96/79/607289679.db2.gz ZOLINAMGVPAKCV-QMMMGPOBSA-N -1 3 272.312 1.871 20 30 CDEDHM C=C[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819730426 607289680 /nfs/dbraw/zinc/28/96/80/607289680.db2.gz ZOLINAMGVPAKCV-QMMMGPOBSA-N -1 3 272.312 1.871 20 30 CDEDHM C=C(Br)CNCc1ccc(-c2nn[n-]n2)o1 ZINC000819718715 599427696 /nfs/dbraw/zinc/42/76/96/599427696.db2.gz OHXLDMVGFSXGSD-UHFFFAOYSA-N -1 3 284.117 1.458 20 30 CDEDHM C#C[C@@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819688952 599625131 /nfs/dbraw/zinc/62/51/31/599625131.db2.gz RHECRBBVTNJIGL-HSTULFTRSA-N -1 3 268.276 1.445 20 30 CDEDHM C#C[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819688952 599625132 /nfs/dbraw/zinc/62/51/32/599625132.db2.gz RHECRBBVTNJIGL-HSTULFTRSA-N -1 3 268.276 1.445 20 30 CDEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(CC3CC3)CC2)cc1 ZINC000739106922 600565865 /nfs/dbraw/zinc/56/58/65/600565865.db2.gz UTKXRYVGDFHHQI-INIZCTEOSA-N -1 3 299.374 1.712 20 30 CDEDHM C#CCN(CC#CC)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823846125 607504317 /nfs/dbraw/zinc/50/43/17/607504317.db2.gz ZJCXUFCXOJGYDN-UHFFFAOYSA-N -1 3 295.346 1.334 20 30 CDEDHM C#CCN(CC#CC)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823846125 607504318 /nfs/dbraw/zinc/50/43/18/607504318.db2.gz ZJCXUFCXOJGYDN-UHFFFAOYSA-N -1 3 295.346 1.334 20 30 CDEDHM COc1ccc(CN(C)[C@@H](C)CC#N)cc1-c1nnn[n-]1 ZINC000826192405 607515443 /nfs/dbraw/zinc/51/54/43/607515443.db2.gz MDKUSNBHKUYCDH-JTQLQIEISA-N -1 3 286.339 1.609 20 30 CDEDHM COc1ccc(CN(C)[C@@H](C)CC#N)cc1-c1nn[n-]n1 ZINC000826192405 607515445 /nfs/dbraw/zinc/51/54/45/607515445.db2.gz MDKUSNBHKUYCDH-JTQLQIEISA-N -1 3 286.339 1.609 20 30 CDEDHM C=CCCC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823888741 607590122 /nfs/dbraw/zinc/59/01/22/607590122.db2.gz VCAOZZYULFSVJZ-UHFFFAOYSA-N -1 3 287.323 1.458 20 30 CDEDHM C=CCCC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823888741 607590124 /nfs/dbraw/zinc/59/01/24/607590124.db2.gz VCAOZZYULFSVJZ-UHFFFAOYSA-N -1 3 287.323 1.458 20 30 CDEDHM C#C[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC001602689399 1175353543 /nfs/dbraw/zinc/35/35/43/1175353543.db2.gz FSGBXZVIXGTELM-JTQLQIEISA-N -1 3 271.324 1.329 20 30 CDEDHM C#CCCNC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602712570 1175369139 /nfs/dbraw/zinc/36/91/39/1175369139.db2.gz OGCXYKJWPKNWSZ-LLVKDONJSA-N -1 3 283.335 1.185 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000826246628 607700678 /nfs/dbraw/zinc/70/06/78/607700678.db2.gz IBEDYDYHLIVXPI-DGCLKSJQSA-N -1 3 296.334 1.597 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000826246628 607700680 /nfs/dbraw/zinc/70/06/80/607700680.db2.gz IBEDYDYHLIVXPI-DGCLKSJQSA-N -1 3 296.334 1.597 20 30 CDEDHM C#CCCNC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602712570 1175369148 /nfs/dbraw/zinc/36/91/48/1175369148.db2.gz OGCXYKJWPKNWSZ-LLVKDONJSA-N -1 3 283.335 1.185 20 30 CDEDHM C#CCN(C)C(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001602716797 1175371969 /nfs/dbraw/zinc/37/19/69/1175371969.db2.gz QMRAZRIGHHXCAF-UHFFFAOYSA-N -1 3 275.699 1.225 20 30 CDEDHM C#CCN(C)C(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001602716797 1175371973 /nfs/dbraw/zinc/37/19/73/1175371973.db2.gz QMRAZRIGHHXCAF-UHFFFAOYSA-N -1 3 275.699 1.225 20 30 CDEDHM C[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1C ZINC000833623721 604934477 /nfs/dbraw/zinc/93/44/77/604934477.db2.gz PPGRKVWXJFJXCC-SMDDNHRTSA-N -1 3 273.336 1.320 20 30 CDEDHM N#C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822802286 606301110 /nfs/dbraw/zinc/30/11/10/606301110.db2.gz YUQVYZFQQHPUDG-QWHCGFSZSA-N -1 3 296.334 1.218 20 30 CDEDHM N#C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822802286 606301112 /nfs/dbraw/zinc/30/11/12/606301112.db2.gz YUQVYZFQQHPUDG-QWHCGFSZSA-N -1 3 296.334 1.218 20 30 CDEDHM C=CC(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001602786644 1175401129 /nfs/dbraw/zinc/40/11/29/1175401129.db2.gz BKEKOMBCIPTZBS-UHFFFAOYSA-N -1 3 261.285 1.564 20 30 CDEDHM C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001602788537 1175402578 /nfs/dbraw/zinc/40/25/78/1175402578.db2.gz KMMYNGOHQGEMPQ-LBPRGKRZSA-N -1 3 296.754 1.813 20 30 CDEDHM CC(C)C[C@H](C#N)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820051651 606545155 /nfs/dbraw/zinc/54/51/55/606545155.db2.gz SKHLRKZEBBNUDZ-CYBMUJFWSA-N -1 3 298.350 1.464 20 30 CDEDHM CC(C)C[C@H](C#N)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820051651 606545157 /nfs/dbraw/zinc/54/51/57/606545157.db2.gz SKHLRKZEBBNUDZ-CYBMUJFWSA-N -1 3 298.350 1.464 20 30 CDEDHM COCC(N=Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000821680075 606637337 /nfs/dbraw/zinc/63/73/37/606637337.db2.gz YPIXIHSTVWCNOV-UHFFFAOYSA-N -1 3 272.312 1.691 20 30 CDEDHM COCC(N=Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000821680075 606637338 /nfs/dbraw/zinc/63/73/38/606637338.db2.gz YPIXIHSTVWCNOV-UHFFFAOYSA-N -1 3 272.312 1.691 20 30 CDEDHM C=C[C@H](CC)OC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001602803137 1175405713 /nfs/dbraw/zinc/40/57/13/1175405713.db2.gz HKTZZENIOBKFJX-MRVPVSSYSA-N -1 3 261.285 1.327 20 30 CDEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC1CC1 ZINC000822818822 606838289 /nfs/dbraw/zinc/83/82/89/606838289.db2.gz GPKKJDQLYVHDIB-UHFFFAOYSA-N -1 3 273.325 1.218 20 30 CDEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC1CC1 ZINC000822818822 606838290 /nfs/dbraw/zinc/83/82/90/606838290.db2.gz GPKKJDQLYVHDIB-UHFFFAOYSA-N -1 3 273.325 1.218 20 30 CDEDHM C#CCCCCNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000819692735 606955604 /nfs/dbraw/zinc/95/56/04/606955604.db2.gz IXXFMMOQIMXCAK-UHFFFAOYSA-N -1 3 297.362 1.719 20 30 CDEDHM C#CCCCCNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000819692735 606955606 /nfs/dbraw/zinc/95/56/06/606955606.db2.gz IXXFMMOQIMXCAK-UHFFFAOYSA-N -1 3 297.362 1.719 20 30 CDEDHM C=CC[C@@H](C)NC(=O)c1cscc1-c1nnn[n-]1 ZINC001602811436 1175413487 /nfs/dbraw/zinc/41/34/87/1175413487.db2.gz MLBSMNOTMSDENO-SSDOTTSWSA-N -1 3 263.326 1.623 20 30 CDEDHM C=CC[C@@H](C)NC(=O)c1cscc1-c1nn[n-]n1 ZINC001602811436 1175413494 /nfs/dbraw/zinc/41/34/94/1175413494.db2.gz MLBSMNOTMSDENO-SSDOTTSWSA-N -1 3 263.326 1.623 20 30 CDEDHM 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ZINC001588746857 1173103531 /nfs/dbraw/zinc/10/35/31/1173103531.db2.gz YZALYVWYYKJQAD-UHFFFAOYSA-N -1 3 286.291 1.202 20 30 CDEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cn1)[C@@]1(C)CCCO1 ZINC001588780663 1173103937 /nfs/dbraw/zinc/10/39/37/1173103937.db2.gz IQNFNXUYKJZLMJ-CYBMUJFWSA-N -1 3 287.327 1.619 20 30 CDEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cn1)[C@@]1(C)CCCO1 ZINC001588780663 1173103944 /nfs/dbraw/zinc/10/39/44/1173103944.db2.gz IQNFNXUYKJZLMJ-CYBMUJFWSA-N -1 3 287.327 1.619 20 30 CDEDHM CC[C@H](C#N)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590367336 1173375414 /nfs/dbraw/zinc/37/54/14/1173375414.db2.gz MZCMLSKTNIQPOU-NXEZZACHSA-N -1 3 284.323 1.594 20 30 CDEDHM CC[C@H](C#N)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590367336 1173375426 /nfs/dbraw/zinc/37/54/26/1173375426.db2.gz MZCMLSKTNIQPOU-NXEZZACHSA-N -1 3 284.323 1.594 20 30 CDEDHM CN(CCC#N)Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001591062079 1173567992 /nfs/dbraw/zinc/56/79/92/1173567992.db2.gz NALOZRBOUHTSSU-UHFFFAOYSA-N -1 3 276.731 1.866 20 30 CDEDHM CN(CCC#N)Cc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001591062079 1173567998 /nfs/dbraw/zinc/56/79/98/1173567998.db2.gz NALOZRBOUHTSSU-UHFFFAOYSA-N -1 3 276.731 1.866 20 30 CDEDHM CN(Cc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCC[C@H]1C#N ZINC001591150189 1173580467 /nfs/dbraw/zinc/58/04/67/1173580467.db2.gz SYCJMHJGXXSIIS-WCQYABFASA-N -1 3 283.339 1.386 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C#CC1CC1 ZINC001591489163 1173662098 /nfs/dbraw/zinc/66/20/98/1173662098.db2.gz KOPLEQWFJOSFKR-UHFFFAOYSA-N -1 3 298.302 1.332 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C#CC1CC1 ZINC001591489163 1173662101 /nfs/dbraw/zinc/66/21/01/1173662101.db2.gz KOPLEQWFJOSFKR-UHFFFAOYSA-N -1 3 298.302 1.332 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1Cn1ccc(C#N)c1 ZINC001591865858 1173729243 /nfs/dbraw/zinc/72/92/43/1173729243.db2.gz BMOQTMMANCJZGB-UHFFFAOYSA-N -1 3 264.292 1.897 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1Cn1ccc(C#N)c1 ZINC001591865858 1173729249 /nfs/dbraw/zinc/72/92/49/1173729249.db2.gz BMOQTMMANCJZGB-UHFFFAOYSA-N -1 3 264.292 1.897 20 30 CDEDHM Cc1cc(Cl)ccc1Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001591977129 1173762608 /nfs/dbraw/zinc/76/26/08/1173762608.db2.gz OTIPXGLSODHUEQ-UHFFFAOYSA-N -1 3 299.725 1.945 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N(CCC#N)C(C)C ZINC001592095508 1173795915 /nfs/dbraw/zinc/79/59/15/1173795915.db2.gz WRCZEPVOPQTDTM-UHFFFAOYSA-N -1 3 298.350 1.939 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N(CCC#N)C(C)C ZINC001592095508 1173795921 /nfs/dbraw/zinc/79/59/21/1173795921.db2.gz WRCZEPVOPQTDTM-UHFFFAOYSA-N -1 3 298.350 1.939 20 30 CDEDHM Cc1nn(C)cc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001592435333 1173887997 /nfs/dbraw/zinc/88/79/97/1173887997.db2.gz SFUCGLXSGKGQAF-BQYQJAHWSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1nn(C)cc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001592435333 1173888001 /nfs/dbraw/zinc/88/80/01/1173888001.db2.gz SFUCGLXSGKGQAF-BQYQJAHWSA-N -1 3 294.318 1.805 20 30 CDEDHM N#C[C@H]1CC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592681047 1173967747 /nfs/dbraw/zinc/96/77/47/1173967747.db2.gz DZXXPNPLDLPSTM-JOYOIKCWSA-N -1 3 282.307 1.289 20 30 CDEDHM N#C[C@H]1CC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592681047 1173967751 /nfs/dbraw/zinc/96/77/51/1173967751.db2.gz DZXXPNPLDLPSTM-JOYOIKCWSA-N -1 3 282.307 1.289 20 30 CDEDHM N#CCc1cccc(NCc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001592679992 1173968744 /nfs/dbraw/zinc/96/87/44/1173968744.db2.gz JSDFPIXXXUHYHX-UHFFFAOYSA-N -1 3 292.306 1.335 20 30 CDEDHM N#CCc1cccc(NCc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001592679992 1173968749 /nfs/dbraw/zinc/96/87/49/1173968749.db2.gz JSDFPIXXXUHYHX-UHFFFAOYSA-N -1 3 292.306 1.335 20 30 CDEDHM N#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001592695335 1173971420 /nfs/dbraw/zinc/97/14/20/1173971420.db2.gz SHOBDJUHOUFYIJ-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001592695335 1173971423 /nfs/dbraw/zinc/97/14/23/1173971423.db2.gz SHOBDJUHOUFYIJ-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CC12CC(O)C2 ZINC001592699432 1173975410 /nfs/dbraw/zinc/97/54/10/1173975410.db2.gz ZJOBQUSOZSTBLO-GOSTWBGLSA-N -1 3 282.307 1.064 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CC12CC(O)C2 ZINC001592699432 1173975412 /nfs/dbraw/zinc/97/54/12/1173975412.db2.gz ZJOBQUSOZSTBLO-GOSTWBGLSA-N -1 3 282.307 1.064 20 30 CDEDHM N#Cc1ncc(OCc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001592708754 1173980916 /nfs/dbraw/zinc/98/09/16/1173980916.db2.gz NMTLJWQTSGSEQY-UHFFFAOYSA-N -1 3 279.263 1.107 20 30 CDEDHM N#Cc1ncc(OCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001592708754 1173980924 /nfs/dbraw/zinc/98/09/24/1173980924.db2.gz NMTLJWQTSGSEQY-UHFFFAOYSA-N -1 3 279.263 1.107 20 30 CDEDHM C#C[C@H](Nc1nnccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001602690769 1175354126 /nfs/dbraw/zinc/35/41/26/1175354126.db2.gz HVUHCYVGZGAHKC-LBPRGKRZSA-N -1 3 295.281 1.582 20 30 CDEDHM C#C[C@H](Nc1nnccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001602690769 1175354135 /nfs/dbraw/zinc/35/41/35/1175354135.db2.gz HVUHCYVGZGAHKC-LBPRGKRZSA-N -1 3 295.281 1.582 20 30 CDEDHM C#C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001602697099 1175363909 /nfs/dbraw/zinc/36/39/09/1175363909.db2.gz RGILKEIYMQBUQN-JTQLQIEISA-N -1 3 298.306 1.625 20 30 CDEDHM C#C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001602697099 1175363912 /nfs/dbraw/zinc/36/39/12/1175363912.db2.gz RGILKEIYMQBUQN-JTQLQIEISA-N -1 3 298.306 1.625 20 30 CDEDHM C#CCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602712842 1175371182 /nfs/dbraw/zinc/37/11/82/1175371182.db2.gz WSUXWBJJRKZJRV-UHFFFAOYSA-N -1 3 276.231 1.349 20 30 CDEDHM C#CCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602712842 1175371186 /nfs/dbraw/zinc/37/11/86/1175371186.db2.gz WSUXWBJJRKZJRV-UHFFFAOYSA-N -1 3 276.231 1.349 20 30 CDEDHM C#CCSCCOC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001602733022 1175377433 /nfs/dbraw/zinc/37/74/33/1175377433.db2.gz PXLWFHMZZQMALL-UHFFFAOYSA-N -1 3 291.336 1.026 20 30 CDEDHM C#CCSCCOC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001602733022 1175377437 /nfs/dbraw/zinc/37/74/37/1175377437.db2.gz PXLWFHMZZQMALL-UHFFFAOYSA-N -1 3 291.336 1.026 20 30 CDEDHM C(=NN[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001602745726 1175381482 /nfs/dbraw/zinc/38/14/82/1175381482.db2.gz QJCWCSFEMFEISS-QMMMGPOBSA-N -1 3 278.341 1.031 20 30 CDEDHM C(=NN[C@@H]1CCSC1)c1cc(-c2nnn[n-]2)cs1 ZINC001602745803 1175382416 /nfs/dbraw/zinc/38/24/16/1175382416.db2.gz UESNZXHSRPSMIM-MRVPVSSYSA-N -1 3 280.382 1.357 20 30 CDEDHM C(=NN[C@@H]1CCSC1)c1cc(-c2nn[n-]n2)cs1 ZINC001602745803 1175382419 /nfs/dbraw/zinc/38/24/19/1175382419.db2.gz UESNZXHSRPSMIM-MRVPVSSYSA-N -1 3 280.382 1.357 20 30 CDEDHM C=C1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001602777251 1175397890 /nfs/dbraw/zinc/39/78/90/1175397890.db2.gz UCSCFJFRTZJMAY-UHFFFAOYSA-N -1 3 286.295 1.931 20 30 CDEDHM C=C[C@H](CC)OC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001602803137 1175405709 /nfs/dbraw/zinc/40/57/09/1175405709.db2.gz HKTZZENIOBKFJX-MRVPVSSYSA-N -1 3 261.285 1.327 20 30 CDEDHM C=C[C@H](C(=O)[O-])N1CCC2(CC1)C(F)(F)C2(F)F ZINC001602805313 1175407875 /nfs/dbraw/zinc/40/78/75/1175407875.db2.gz YRNPIRCAIVMYNG-SSDOTTSWSA-N -1 3 267.222 1.992 20 30 CDEDHM C=CCCC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001602823294 1175417802 /nfs/dbraw/zinc/41/78/02/1175417802.db2.gz ARSLWQMAKWRUPT-UHFFFAOYSA-N -1 3 269.308 1.675 20 30 CDEDHM C=CCCC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001602823294 1175417805 /nfs/dbraw/zinc/41/78/05/1175417805.db2.gz ARSLWQMAKWRUPT-UHFFFAOYSA-N -1 3 269.308 1.675 20 30 CDEDHM C=CCCN(C)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001602839973 1175427355 /nfs/dbraw/zinc/42/73/55/1175427355.db2.gz OILIXZDPMGOOJD-UHFFFAOYSA-N -1 3 272.312 1.218 20 30 CDEDHM C=CCCN(C)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001602839973 1175427362 /nfs/dbraw/zinc/42/73/62/1175427362.db2.gz OILIXZDPMGOOJD-UHFFFAOYSA-N -1 3 272.312 1.218 20 30 CDEDHM C=CCN(C)[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001602847229 1175432131 /nfs/dbraw/zinc/43/21/31/1175432131.db2.gz LXDDWJKENOGJEV-LBPRGKRZSA-N -1 3 287.323 1.199 20 30 CDEDHM C=CCN(C)[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001602847229 1175432134 /nfs/dbraw/zinc/43/21/34/1175432134.db2.gz LXDDWJKENOGJEV-LBPRGKRZSA-N -1 3 287.323 1.199 20 30 CDEDHM C=CCN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602847215 1175432152 /nfs/dbraw/zinc/43/21/52/1175432152.db2.gz LPISCBLYJPKYQT-UHFFFAOYSA-N -1 3 260.257 1.397 20 30 CDEDHM C=CCN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602847215 1175432156 /nfs/dbraw/zinc/43/21/56/1175432156.db2.gz LPISCBLYJPKYQT-UHFFFAOYSA-N -1 3 260.257 1.397 20 30 CDEDHM C=CCCn1cc(CN[C@H](C(=O)[O-])C2CCCCC2)nn1 ZINC001602884971 1175443967 /nfs/dbraw/zinc/44/39/67/1175443967.db2.gz ZTMLBZOIWVQMRM-AWEZNQCLSA-N -1 3 292.383 1.977 20 30 CDEDHM CC#CCN(C)[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001602894277 1175445608 /nfs/dbraw/zinc/44/56/08/1175445608.db2.gz TZCCCOVATHODKR-NSHDSACASA-N -1 3 298.350 1.149 20 30 CDEDHM CC#CCN(C)[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001602894277 1175445611 /nfs/dbraw/zinc/44/56/11/1175445611.db2.gz TZCCCOVATHODKR-NSHDSACASA-N -1 3 298.350 1.149 20 30 CDEDHM C=CCOC[C@H](NCc1cccc(OC)c1F)C(=O)[O-] ZINC001602914854 1175451340 /nfs/dbraw/zinc/45/13/40/1175451340.db2.gz IITJWVXPAULTDT-NSHDSACASA-N -1 3 283.299 1.580 20 30 CDEDHM CC(C)[C@@](C)(C#N)NC(=O)c1cscc1-c1nnn[n-]1 ZINC001603203343 1175515535 /nfs/dbraw/zinc/51/55/35/1175515535.db2.gz PHRUZCXXRXWCGT-GFCCVEGCSA-N -1 3 290.352 1.596 20 30 CDEDHM CC(C)[C@@](C)(C#N)NC(=O)c1cscc1-c1nn[n-]n1 ZINC001603203343 1175515546 /nfs/dbraw/zinc/51/55/46/1175515546.db2.gz PHRUZCXXRXWCGT-GFCCVEGCSA-N -1 3 290.352 1.596 20 30 CDEDHM C[C@@H]1C[C@@H]1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001603870760 1175661577 /nfs/dbraw/zinc/66/15/77/1175661577.db2.gz KPCREWMKHJSYGG-HTRCEHHLSA-N -1 3 287.352 1.464 20 30 CDEDHM C[C@@H]1C[C@@H]1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001603870760 1175661580 /nfs/dbraw/zinc/66/15/80/1175661580.db2.gz KPCREWMKHJSYGG-HTRCEHHLSA-N -1 3 287.352 1.464 20 30 CDEDHM CCn1ccnc1C(C#N)=C([O-])c1ccc(C(=O)OC)nc1 ZINC001772374195 1187202604 /nfs/dbraw/zinc/20/26/04/1187202604.db2.gz JXLXZSMMWWBURE-LLVKDONJSA-N -1 3 298.302 1.575 20 30 CDEDHM N#C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001606345182 1163867813 /nfs/dbraw/zinc/86/78/13/1163867813.db2.gz FFATVPDFFZSMPX-SECBINFHSA-N -1 3 255.285 1.002 20 30 CDEDHM N#Cc1ncn(CC[C@H]2CCCC2(F)F)c1-c1nnn[n-]1 ZINC001606398812 1163890415 /nfs/dbraw/zinc/89/04/15/1163890415.db2.gz XAEZJRNSRFXNBI-MRVPVSSYSA-N -1 3 293.281 1.760 20 30 CDEDHM C=CC[C@@H](C)NC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609052455 1164743252 /nfs/dbraw/zinc/74/32/52/1164743252.db2.gz CSVYKQAHHMWGRQ-SNVBAGLBSA-N -1 3 271.324 1.870 20 30 CDEDHM C=CC[C@@H](C)NC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609052455 1164743256 /nfs/dbraw/zinc/74/32/56/1164743256.db2.gz CSVYKQAHHMWGRQ-SNVBAGLBSA-N -1 3 271.324 1.870 20 30 CDEDHM C=CCC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001609054013 1164746385 /nfs/dbraw/zinc/74/63/85/1164746385.db2.gz WQPPQSINFRFZEZ-SECBINFHSA-N -1 3 278.291 1.140 20 30 CDEDHM C=CCC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001609054013 1164746393 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ZINC001588326971 1173028768 /nfs/dbraw/zinc/02/87/68/1173028768.db2.gz ZBFRUIMCYZHKME-ZETCQYMHSA-N -1 3 270.321 1.910 20 30 CDEDHM C#C[C@H](Nc1ncncc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588328659 1173029829 /nfs/dbraw/zinc/02/98/29/1173029829.db2.gz MWMBTYFTAJQJFQ-LBPRGKRZSA-N -1 3 295.281 1.582 20 30 CDEDHM C#C[C@H](CCC)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588327886 1173031666 /nfs/dbraw/zinc/03/16/66/1173031666.db2.gz TUNNJQLGVPQRBK-LLVKDONJSA-N -1 3 299.334 1.407 20 30 CDEDHM C#C[C@H](CCC)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588327886 1173031672 /nfs/dbraw/zinc/03/16/72/1173031672.db2.gz TUNNJQLGVPQRBK-LLVKDONJSA-N -1 3 299.334 1.407 20 30 CDEDHM C#CCCN(CCOC)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588346314 1173047442 /nfs/dbraw/zinc/04/74/42/1173047442.db2.gz HGVVUUCBIOFFGW-UHFFFAOYSA-N -1 3 286.339 1.046 20 30 CDEDHM C#CCCN(CCOC)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588346314 1173047447 /nfs/dbraw/zinc/04/74/47/1173047447.db2.gz HGVVUUCBIOFFGW-UHFFFAOYSA-N -1 3 286.339 1.046 20 30 CDEDHM C#CCOCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588363552 1173054927 /nfs/dbraw/zinc/05/49/27/1173054927.db2.gz NGTQPALZNFPMJI-UHFFFAOYSA-N -1 3 278.699 1.549 20 30 CDEDHM C#CCOCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588363552 1173054932 /nfs/dbraw/zinc/05/49/32/1173054932.db2.gz NGTQPALZNFPMJI-UHFFFAOYSA-N -1 3 278.699 1.549 20 30 CDEDHM C=C(Cl)CNC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588449674 1173063295 /nfs/dbraw/zinc/06/32/95/1173063295.db2.gz YFZQLTORPDAOAI-UHFFFAOYSA-N -1 3 291.742 1.966 20 30 CDEDHM C=C(Cl)CNC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588449674 1173063301 /nfs/dbraw/zinc/06/33/01/1173063301.db2.gz YFZQLTORPDAOAI-UHFFFAOYSA-N -1 3 291.742 1.966 20 30 CDEDHM C=C1CN(C(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)C1 ZINC001588462569 1173066850 /nfs/dbraw/zinc/06/68/50/1173066850.db2.gz KTDHHTVBBYYGMB-UHFFFAOYSA-N -1 3 280.291 1.360 20 30 CDEDHM C=C1CN(C(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)C1 ZINC001588462569 1173066857 /nfs/dbraw/zinc/06/68/57/1173066857.db2.gz KTDHHTVBBYYGMB-UHFFFAOYSA-N -1 3 280.291 1.360 20 30 CDEDHM C=C1CCN(c2nc3ncccc3cc2-c2nnn[n-]2)CC1 ZINC001588463050 1173066933 /nfs/dbraw/zinc/06/69/33/1173066933.db2.gz XZTZUAFJRHRTHP-UHFFFAOYSA-N -1 3 293.334 1.966 20 30 CDEDHM C=C1CCN(c2nc3ncccc3cc2-c2nn[n-]n2)CC1 ZINC001588463050 1173066940 /nfs/dbraw/zinc/06/69/40/1173066940.db2.gz XZTZUAFJRHRTHP-UHFFFAOYSA-N -1 3 293.334 1.966 20 30 CDEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588560769 1173083250 /nfs/dbraw/zinc/08/32/50/1173083250.db2.gz UQYIHJXCBHPWKF-SNVBAGLBSA-N -1 3 286.339 1.623 20 30 CDEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588560769 1173083255 /nfs/dbraw/zinc/08/32/55/1173083255.db2.gz UQYIHJXCBHPWKF-SNVBAGLBSA-N -1 3 286.339 1.623 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001588726274 1173099713 /nfs/dbraw/zinc/09/97/13/1173099713.db2.gz XOFQFOBAECYWBQ-AAEUAGOBSA-N -1 3 296.334 1.741 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001588726274 1173099718 /nfs/dbraw/zinc/09/97/18/1173099718.db2.gz XOFQFOBAECYWBQ-AAEUAGOBSA-N -1 3 296.334 1.741 20 30 CDEDHM CC(=NOC1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001588782815 1173107813 /nfs/dbraw/zinc/10/78/13/1173107813.db2.gz XGVBRXZZBBPZFX-UHFFFAOYSA-N -1 3 287.323 1.786 20 30 CDEDHM CC(=NOC1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001588782815 1173107817 /nfs/dbraw/zinc/10/78/17/1173107817.db2.gz XGVBRXZZBBPZFX-UHFFFAOYSA-N -1 3 287.323 1.786 20 30 CDEDHM C[C@H](C#N)CN(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588931268 1173115361 /nfs/dbraw/zinc/11/53/61/1173115361.db2.gz WFBULKTUNUSGHN-SKVAFPRGSA-N -1 3 296.334 1.498 20 30 CDEDHM C[C@H](C#N)CN(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588931268 1173115369 /nfs/dbraw/zinc/11/53/69/1173115369.db2.gz WFBULKTUNUSGHN-SKVAFPRGSA-N -1 3 296.334 1.498 20 30 CDEDHM C[C@H](C#N)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588934420 1173115785 /nfs/dbraw/zinc/11/57/85/1173115785.db2.gz LWWBGJSFAAVQNE-SECBINFHSA-N -1 3 259.269 1.174 20 30 CDEDHM C[C@H](C#N)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588934420 1173115787 /nfs/dbraw/zinc/11/57/87/1173115787.db2.gz LWWBGJSFAAVQNE-SECBINFHSA-N -1 3 259.269 1.174 20 30 CDEDHM CCN(CC#N)C(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001590679759 1173489580 /nfs/dbraw/zinc/48/95/80/1173489580.db2.gz JVOUONUZIGFCDG-UHFFFAOYSA-N -1 3 270.296 1.161 20 30 CDEDHM CCN(CC#N)C(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001590679759 1173489583 /nfs/dbraw/zinc/48/95/83/1173489583.db2.gz JVOUONUZIGFCDG-UHFFFAOYSA-N -1 3 270.296 1.161 20 30 CDEDHM CCN(CC#N)Cc1ccc(-c2nnn[n-]2)cc1C ZINC001590679781 1173489807 /nfs/dbraw/zinc/48/98/07/1173489807.db2.gz KVQIKSPXBDYCRM-UHFFFAOYSA-N -1 3 256.313 1.521 20 30 CDEDHM CCN(CC#N)Cc1ccc(-c2nn[n-]n2)cc1C ZINC001590679781 1173489812 /nfs/dbraw/zinc/48/98/12/1173489812.db2.gz KVQIKSPXBDYCRM-UHFFFAOYSA-N -1 3 256.313 1.521 20 30 CDEDHM CN(CCC#N)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591062102 1173567458 /nfs/dbraw/zinc/56/74/58/1173567458.db2.gz NXDPYFCTRHHPHB-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM CN(CCC#N)Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591062102 1173567463 /nfs/dbraw/zinc/56/74/63/1173567463.db2.gz NXDPYFCTRHHPHB-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM COc1cc(C#N)ccc1Oc1ccc(-c2nnn[n-]2)cn1 ZINC001591509441 1173663324 /nfs/dbraw/zinc/66/33/24/1173663324.db2.gz YGMLVEMNEIXVAY-UHFFFAOYSA-N -1 3 294.274 1.934 20 30 CDEDHM COc1cc(C#N)ccc1Oc1ccc(-c2nn[n-]n2)cn1 ZINC001591509441 1173663330 /nfs/dbraw/zinc/66/33/30/1173663330.db2.gz YGMLVEMNEIXVAY-UHFFFAOYSA-N -1 3 294.274 1.934 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)OCC1(C#N)CC1 ZINC001591839579 1173711072 /nfs/dbraw/zinc/71/10/72/1173711072.db2.gz MZNCZSFIWSHUBO-UHFFFAOYSA-N -1 3 297.318 1.944 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)OCC1(C#N)CC1 ZINC001591839579 1173711078 /nfs/dbraw/zinc/71/10/78/1173711078.db2.gz MZNCZSFIWSHUBO-UHFFFAOYSA-N -1 3 297.318 1.944 20 30 CDEDHM Cc1cc(C(=O)NCC(C)(C)C#N)cc(C)c1-c1nnn[n-]1 ZINC001591923639 1173746120 /nfs/dbraw/zinc/74/61/20/1173746120.db2.gz WOXRHZJAQALXFO-UHFFFAOYSA-N -1 3 298.350 1.763 20 30 CDEDHM Cc1cc(C(=O)NCC(C)(C)C#N)cc(C)c1-c1nn[n-]n1 ZINC001591923639 1173746121 /nfs/dbraw/zinc/74/61/21/1173746121.db2.gz WOXRHZJAQALXFO-UHFFFAOYSA-N -1 3 298.350 1.763 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@H]1CC(C)(C)CO1 ZINC001592340030 1173861520 /nfs/dbraw/zinc/86/15/20/1173861520.db2.gz AYDUGGHPOGFLHC-SECBINFHSA-N -1 3 287.327 1.058 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@H]1CC(C)(C)CO1 ZINC001592340030 1173861523 /nfs/dbraw/zinc/86/15/23/1173861523.db2.gz AYDUGGHPOGFLHC-SECBINFHSA-N -1 3 287.327 1.058 20 30 CDEDHM Cn1c(C#N)ccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001592545753 1173920102 /nfs/dbraw/zinc/92/01/02/1173920102.db2.gz CASZXDKPNVNVBT-UHFFFAOYSA-N -1 3 294.274 1.296 20 30 CDEDHM Cn1c(C#N)ccc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001592545753 1173920107 /nfs/dbraw/zinc/92/01/07/1173920107.db2.gz CASZXDKPNVNVBT-UHFFFAOYSA-N -1 3 294.274 1.296 20 30 CDEDHM N#CCCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001592676396 1173967189 /nfs/dbraw/zinc/96/71/89/1173967189.db2.gz NMKKDNQCFLJAHJ-BQYQJAHWSA-N -1 3 283.291 1.727 20 30 CDEDHM N#CCCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001592676396 1173967196 /nfs/dbraw/zinc/96/71/96/1173967196.db2.gz NMKKDNQCFLJAHJ-BQYQJAHWSA-N -1 3 283.291 1.727 20 30 CDEDHM N#Cc1ncn(/C=C\c2ccc([N+](=O)[O-])o2)c1-c1nnn[n-]1 ZINC001592709467 1173981117 /nfs/dbraw/zinc/98/11/17/1173981117.db2.gz FOWJTLHEJBKYRN-ARJAWSKDSA-N -1 3 298.222 1.064 20 30 CDEDHM C#C[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C(C)C ZINC001602687532 1175351788 /nfs/dbraw/zinc/35/17/88/1175351788.db2.gz CKYCJOCYWNPQHP-GFCCVEGCSA-N -1 3 299.334 1.020 20 30 CDEDHM C#C[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C(C)C ZINC001602687532 1175351794 /nfs/dbraw/zinc/35/17/94/1175351794.db2.gz CKYCJOCYWNPQHP-GFCCVEGCSA-N -1 3 299.334 1.020 20 30 CDEDHM C#CC(C)(C)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602690646 1175354176 /nfs/dbraw/zinc/35/41/76/1175354176.db2.gz YECQRXGNYWKMAG-LLVKDONJSA-N -1 3 297.362 1.573 20 30 CDEDHM C#CC(C)(C)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602690646 1175354183 /nfs/dbraw/zinc/35/41/83/1175354183.db2.gz YECQRXGNYWKMAG-LLVKDONJSA-N -1 3 297.362 1.573 20 30 CDEDHM C#CC(C)(C)NC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001602689392 1175356352 /nfs/dbraw/zinc/35/63/52/1175356352.db2.gz FKTJOMIXKXVGKM-UHFFFAOYSA-N -1 3 297.362 1.554 20 30 CDEDHM C#CC(C)(C)NC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001602689392 1175356357 /nfs/dbraw/zinc/35/63/57/1175356357.db2.gz FKTJOMIXKXVGKM-UHFFFAOYSA-N -1 3 297.362 1.554 20 30 CDEDHM C#Cc1cccc(CNc2ncc(-c3nnn[n-]3)cc2F)c1 ZINC001602741538 1175380156 /nfs/dbraw/zinc/38/01/56/1175380156.db2.gz MQLIKZHYJDWQNT-UHFFFAOYSA-N -1 3 294.293 1.994 20 30 CDEDHM C#Cc1cccc(CNc2ncc(-c3nn[n-]n3)cc2F)c1 ZINC001602741538 1175380158 /nfs/dbraw/zinc/38/01/58/1175380158.db2.gz MQLIKZHYJDWQNT-UHFFFAOYSA-N -1 3 294.293 1.994 20 30 CDEDHM C=CCN(CC(=O)OC)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602850704 1175435475 /nfs/dbraw/zinc/43/54/75/1175435475.db2.gz SREVQZIHEKQSLI-UHFFFAOYSA-N -1 3 287.323 1.028 20 30 CDEDHM C=CCN(CC(=O)OC)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602850704 1175435478 /nfs/dbraw/zinc/43/54/78/1175435478.db2.gz SREVQZIHEKQSLI-UHFFFAOYSA-N -1 3 287.323 1.028 20 30 CDEDHM CC#CCCNC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001602894394 1175446958 /nfs/dbraw/zinc/44/69/58/1175446958.db2.gz ZLFNBJKYJCVHHB-UHFFFAOYSA-N -1 3 285.307 1.019 20 30 CDEDHM CC#CCCNC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001602894394 1175446960 /nfs/dbraw/zinc/44/69/60/1175446960.db2.gz ZLFNBJKYJCVHHB-UHFFFAOYSA-N -1 3 285.307 1.019 20 30 CDEDHM C[C@@H](CC#N)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001603442136 1175554415 /nfs/dbraw/zinc/55/44/15/1175554415.db2.gz HWIBQARPTHCEOL-LURJTMIESA-N -1 3 288.271 1.071 20 30 CDEDHM C[C@@H](CC#N)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001603442136 1175554423 /nfs/dbraw/zinc/55/44/23/1175554423.db2.gz HWIBQARPTHCEOL-LURJTMIESA-N -1 3 288.271 1.071 20 30 CDEDHM C=CCN1CC(N(C)C(=O)c2nnc3ccccc3c2[O-])C1 ZINC001043986316 723114953 /nfs/dbraw/zinc/11/49/53/723114953.db2.gz 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c1cnnc(N=NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735399874 575464764 /nfs/dbraw/zinc/46/47/64/575464764.db2.gz MTCDJKGAELZIFZ-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM C=CCCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735408802 575465405 /nfs/dbraw/zinc/46/54/05/575465405.db2.gz RJWGKGYXFMZWBH-UHFFFAOYSA-N -1 3 257.297 1.449 20 30 CDEDHM C=CCCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735408802 575465408 /nfs/dbraw/zinc/46/54/08/575465408.db2.gz RJWGKGYXFMZWBH-UHFFFAOYSA-N -1 3 257.297 1.449 20 30 CDEDHM C=CCOCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735437976 575468421 /nfs/dbraw/zinc/46/84/21/575468421.db2.gz VFZREOBJXNMJPA-UHFFFAOYSA-N -1 3 277.259 1.147 20 30 CDEDHM C=CCOCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735437976 575468424 /nfs/dbraw/zinc/46/84/24/575468424.db2.gz VFZREOBJXNMJPA-UHFFFAOYSA-N -1 3 277.259 1.147 20 30 CDEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000770566987 575468733 /nfs/dbraw/zinc/46/87/33/575468733.db2.gz CKHVSDYGRJGSNY-QLQBFJNESA-N -1 3 293.319 1.560 20 30 CDEDHM CC#CCN(C)CCOc1ccccc1-c1nnn[n-]1 ZINC000735447313 575469117 /nfs/dbraw/zinc/46/91/17/575469117.db2.gz DWKTXNAWEGEAQS-UHFFFAOYSA-N -1 3 271.324 1.201 20 30 CDEDHM CC#CCN(C)CCOc1ccccc1-c1nn[n-]n1 ZINC000735447313 575469120 /nfs/dbraw/zinc/46/91/20/575469120.db2.gz DWKTXNAWEGEAQS-UHFFFAOYSA-N -1 3 271.324 1.201 20 30 CDEDHM CC(C)[C@H](C#N)NC(=O)c1nnc2ccccc2c1[O-] ZINC000735657106 575495679 /nfs/dbraw/zinc/49/56/79/575495679.db2.gz LBDZMXVLPHZPKR-NSHDSACASA-N -1 3 270.292 1.613 20 30 CDEDHM C[C@@H](CC#N)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735963707 575540794 /nfs/dbraw/zinc/54/07/94/575540794.db2.gz KKCPQHFHHVHDFF-FGEFZZPRSA-N -1 3 283.291 1.725 20 30 CDEDHM C[C@@H](CC#N)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735963707 575540797 /nfs/dbraw/zinc/54/07/97/575540797.db2.gz KKCPQHFHHVHDFF-FGEFZZPRSA-N -1 3 283.291 1.725 20 30 CDEDHM CCCNN=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736487476 575674878 /nfs/dbraw/zinc/67/48/78/575674878.db2.gz IIJVGNLJFFBZHP-UHFFFAOYSA-N -1 3 260.301 1.209 20 30 CDEDHM CCCNN=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736487476 575674882 /nfs/dbraw/zinc/67/48/82/575674882.db2.gz IIJVGNLJFFBZHP-UHFFFAOYSA-N -1 3 260.301 1.209 20 30 CDEDHM CCn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736722060 575728582 /nfs/dbraw/zinc/72/85/82/575728582.db2.gz MAPHQZGFDMXQTC-BAQGIRSFSA-N -1 3 294.318 1.979 20 30 CDEDHM CCn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736722060 575728584 /nfs/dbraw/zinc/72/85/84/575728584.db2.gz MAPHQZGFDMXQTC-BAQGIRSFSA-N -1 3 294.318 1.979 20 30 CDEDHM C#CCCN1CCC(NC(=O)c2c([O-])cccc2F)CC1 ZINC000773115794 575783965 /nfs/dbraw/zinc/78/39/65/575783965.db2.gz JWLOPXJGGGCCHL-UHFFFAOYSA-N -1 3 290.338 1.749 20 30 CDEDHM CCC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)C(=O)OC ZINC000773153621 575785991 /nfs/dbraw/zinc/78/59/91/575785991.db2.gz VMZPZPJYKUZQBL-YNUIFBACSA-N -1 3 280.324 1.349 20 30 CDEDHM C#CC(C)(C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000773292243 575798515 /nfs/dbraw/zinc/79/85/15/575798515.db2.gz TZQVRRMNUWULNQ-UHFFFAOYSA-N -1 3 269.370 1.229 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1ccc(F)cc1N(C)C ZINC000764701486 575935669 /nfs/dbraw/zinc/93/56/69/575935669.db2.gz PIOAGMXPVBFREE-UHFFFAOYSA-N -1 3 273.333 1.165 20 30 CDEDHM C[C@@H]1CCc2c(F)cccc2C1=N[N-]S(C)(=O)=O ZINC000764706853 575936465 /nfs/dbraw/zinc/93/64/65/575936465.db2.gz GDNFRYJLOCMMNU-MRVPVSSYSA-N -1 3 270.329 1.661 20 30 CDEDHM C#C[C@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000759373851 576384390 /nfs/dbraw/zinc/38/43/90/576384390.db2.gz NAOYYTZTCIKPKA-VIFPVBQESA-N -1 3 267.306 1.237 20 30 CDEDHM COCc1cccc(C=[NH+][N-]c2ncnc3[n-]cnc32)c1 ZINC000743438225 576639925 /nfs/dbraw/zinc/63/99/25/576639925.db2.gz LIWJDPRHWBVIKZ-UHFFFAOYSA-N -1 3 282.307 1.945 20 30 CDEDHM Cc1cc(C)n(-c2nncn2N=Cc2cccc([O-])c2O)n1 ZINC000744747362 576694592 /nfs/dbraw/zinc/69/45/92/576694592.db2.gz KIYUSUNAIYRKHB-UHFFFAOYSA-N -1 3 298.306 1.374 20 30 CDEDHM C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[O-] ZINC000746263586 576766791 /nfs/dbraw/zinc/76/67/91/576766791.db2.gz IKICKTLVKSXWCL-BYPYZUCNSA-N -1 3 293.142 1.134 20 30 CDEDHM CN(C)c1nc(C/N=C/c2ccc(O)c([O-])c2O)cs1 ZINC000746816267 576791171 /nfs/dbraw/zinc/79/11/71/576791171.db2.gz PQUWVFPXYZAWSJ-LHHJGKSTSA-N -1 3 293.348 1.945 20 30 CDEDHM CC1(C)OCC(/N=C\c2ccc(O)c([O-])c2O)CO1 ZINC000753995954 576872434 /nfs/dbraw/zinc/87/24/34/576872434.db2.gz SMQLHJNUEAOHHO-RZNTYIFUSA-N -1 3 267.281 1.374 20 30 CDEDHM COc1cc(C(=O)O[C@@H](C)C#N)cc(OC)c1[O-] ZINC000754270223 576889219 /nfs/dbraw/zinc/88/92/19/576889219.db2.gz DTLSLKNKGZAFIN-ZETCQYMHSA-N -1 3 251.238 1.478 20 30 CDEDHM CC(N=Nc1ccc(C(N)=O)nn1)c1ccc([O-])c(F)c1 ZINC000756844487 577008111 /nfs/dbraw/zinc/00/81/11/577008111.db2.gz QBSPJFNZFXIATH-UHFFFAOYSA-N -1 3 289.270 1.256 20 30 CDEDHM COc1cccc([O-])c1/C=N\CCN1CCO[C@H](C)C1 ZINC000750950447 577019042 /nfs/dbraw/zinc/01/90/42/577019042.db2.gz VPQINPPMEHVHPT-YUSFRKCESA-N -1 3 278.352 1.540 20 30 CDEDHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)n1 ZINC000752168660 577091667 /nfs/dbraw/zinc/09/16/67/577091667.db2.gz OTLVSWLQMCXSKO-JTQLQIEISA-N -1 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C#CCOCCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823850304 607880811 /nfs/dbraw/zinc/88/08/11/607880811.db2.gz NKYVYXBVRLDJNK-NSHDSACASA-N -1 3 299.334 1.084 20 30 CDEDHM C=CCC[C@@H](CO)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001602833835 1175421666 /nfs/dbraw/zinc/42/16/66/1175421666.db2.gz WVVLARCMBJXCMS-NSHDSACASA-N -1 3 274.328 1.309 20 30 CDEDHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000825013285 608160225 /nfs/dbraw/zinc/16/02/25/608160225.db2.gz OFPPEACAIDGXHM-LDYMZIIASA-N -1 3 298.306 1.102 20 30 CDEDHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825013285 608160226 /nfs/dbraw/zinc/16/02/26/608160226.db2.gz OFPPEACAIDGXHM-LDYMZIIASA-N -1 3 298.306 1.102 20 30 CDEDHM C=CC[C@H](CO)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001602842342 1175429057 /nfs/dbraw/zinc/42/90/57/1175429057.db2.gz HBOYVACFCGVHGU-MNOVXSKESA-N -1 3 279.336 1.926 20 30 CDEDHM C[C@@H]1CC(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)=NO1 ZINC000824886151 609260291 /nfs/dbraw/zinc/26/02/91/609260291.db2.gz 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/nfs/dbraw/zinc/83/61/59/1164836159.db2.gz XENHMCQMZBIYNM-JTQLQIEISA-N -1 3 272.312 1.311 20 30 CDEDHM CC[C@H](O)CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609195667 1164836165 /nfs/dbraw/zinc/83/61/65/1164836165.db2.gz XENHMCQMZBIYNM-JTQLQIEISA-N -1 3 272.312 1.311 20 30 CDEDHM CN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)CC1(C#N)CC1 ZINC001609273470 1164876637 /nfs/dbraw/zinc/87/66/37/1164876637.db2.gz MZKICTGNQQSOOW-CYBMUJFWSA-N -1 3 298.350 1.136 20 30 CDEDHM CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)CC1(C#N)CC1 ZINC001609273470 1164876642 /nfs/dbraw/zinc/87/66/42/1164876642.db2.gz MZKICTGNQQSOOW-CYBMUJFWSA-N -1 3 298.350 1.136 20 30 CDEDHM Cc1nc(C(=O)OCC2(C#N)CCC2)ccc1-c1nnn[n-]1 ZINC001609448788 1164954474 /nfs/dbraw/zinc/95/44/74/1164954474.db2.gz UHGWHWBROSQSAC-UHFFFAOYSA-N -1 3 298.306 1.421 20 30 CDEDHM Cc1nc(C(=O)OCC2(C#N)CCC2)ccc1-c1nn[n-]n1 ZINC001609448788 1164954478 /nfs/dbraw/zinc/95/44/78/1164954478.db2.gz UHGWHWBROSQSAC-UHFFFAOYSA-N -1 3 298.306 1.421 20 30 CDEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1CC1 ZINC001609493340 1164973987 /nfs/dbraw/zinc/97/39/87/1164973987.db2.gz MAORIQZBSGNDTL-CYBMUJFWSA-N -1 3 297.318 1.502 20 30 CDEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1CC1 ZINC001609493340 1164973994 /nfs/dbraw/zinc/97/39/94/1164973994.db2.gz MAORIQZBSGNDTL-CYBMUJFWSA-N -1 3 297.318 1.502 20 30 CDEDHM C[C@@](CC(=O)[O-])(NCCOCCC#N)c1ccccn1 ZINC001609729956 1165057934 /nfs/dbraw/zinc/05/79/34/1165057934.db2.gz HNLSKRWDTMTGTF-AWEZNQCLSA-N -1 3 277.324 1.291 20 30 CDEDHM N#Cc1cccc(Sc2cc(-c3nnn[n-]3)cnn2)c1 ZINC001581875744 1172626605 /nfs/dbraw/zinc/62/66/05/1172626605.db2.gz NFSLGVTWSALKFI-UHFFFAOYSA-N -1 3 281.304 1.680 20 30 CDEDHM N#Cc1cccc(Sc2cc(-c3nn[n-]n3)cnn2)c1 ZINC001581875744 1172626609 /nfs/dbraw/zinc/62/66/09/1172626609.db2.gz NFSLGVTWSALKFI-UHFFFAOYSA-N -1 3 281.304 1.680 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588332184 1173033562 /nfs/dbraw/zinc/03/35/62/1173033562.db2.gz HKMMLCILURZCQQ-NSHDSACASA-N -1 3 296.334 1.198 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588332184 1173033565 /nfs/dbraw/zinc/03/35/65/1173033565.db2.gz HKMMLCILURZCQQ-NSHDSACASA-N -1 3 296.334 1.198 20 30 CDEDHM C#CCC1(OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001588335582 1173038606 /nfs/dbraw/zinc/03/86/06/1173038606.db2.gz RHBBMSZLPJQRCG-UHFFFAOYSA-N -1 3 271.280 1.298 20 30 CDEDHM C#CCC1(OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001588335582 1173038613 /nfs/dbraw/zinc/03/86/13/1173038613.db2.gz RHBBMSZLPJQRCG-UHFFFAOYSA-N -1 3 271.280 1.298 20 30 CDEDHM C#CCNC(=S)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588353830 1173052791 /nfs/dbraw/zinc/05/27/91/1173052791.db2.gz IQKGMGXFFJFJIX-UHFFFAOYSA-N -1 3 298.375 1.664 20 30 CDEDHM C#CCNC(=S)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588353830 1173052796 /nfs/dbraw/zinc/05/27/96/1173052796.db2.gz IQKGMGXFFJFJIX-UHFFFAOYSA-N -1 3 298.375 1.664 20 30 CDEDHM C(=NN[C@@H]1CCOC1)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001588381464 1173056847 /nfs/dbraw/zinc/05/68/47/1173056847.db2.gz CZFJKMSHGGQGJL-SNVBAGLBSA-N -1 3 297.322 1.060 20 30 CDEDHM C(=NN[C@@H]1CCOC1)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001588381464 1173056852 /nfs/dbraw/zinc/05/68/52/1173056852.db2.gz CZFJKMSHGGQGJL-SNVBAGLBSA-N -1 3 297.322 1.060 20 30 CDEDHM C=C1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588463062 1173067018 /nfs/dbraw/zinc/06/70/18/1173067018.db2.gz YRZOJBUELOVHSN-UHFFFAOYSA-N -1 3 299.334 1.423 20 30 CDEDHM C=C1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588463062 1173067023 /nfs/dbraw/zinc/06/70/23/1173067023.db2.gz YRZOJBUELOVHSN-UHFFFAOYSA-N -1 3 299.334 1.423 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588527632 1173073475 /nfs/dbraw/zinc/07/34/75/1173073475.db2.gz RDDAGRBQEZIQHU-LLVKDONJSA-N -1 3 298.350 1.751 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588527632 1173073485 /nfs/dbraw/zinc/07/34/85/1173073485.db2.gz RDDAGRBQEZIQHU-LLVKDONJSA-N -1 3 298.350 1.751 20 30 CDEDHM C=CCCNC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588609607 1173088078 /nfs/dbraw/zinc/08/80/78/1173088078.db2.gz RWOMLBISUUXXSS-NSHDSACASA-N -1 3 285.351 1.738 20 30 CDEDHM C=CCCNC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588609607 1173088083 /nfs/dbraw/zinc/08/80/83/1173088083.db2.gz RWOMLBISUUXXSS-NSHDSACASA-N -1 3 285.351 1.738 20 30 CDEDHM C=CCN(CCC#N)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588632303 1173093164 /nfs/dbraw/zinc/09/31/64/1173093164.db2.gz OYQXNCWKKLTHCP-UHFFFAOYSA-N -1 3 299.294 1.681 20 30 CDEDHM C=CCN(CCC#N)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588632303 1173093170 /nfs/dbraw/zinc/09/31/70/1173093170.db2.gz OYQXNCWKKLTHCP-UHFFFAOYSA-N -1 3 299.294 1.681 20 30 CDEDHM C=CCNC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1 ZINC001588663541 1173096878 /nfs/dbraw/zinc/09/68/78/1173096878.db2.gz KRKXUSHMAHBQCE-UHFFFAOYSA-N -1 3 268.280 1.264 20 30 CDEDHM C=CCNC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1 ZINC001588663541 1173096886 /nfs/dbraw/zinc/09/68/86/1173096886.db2.gz KRKXUSHMAHBQCE-UHFFFAOYSA-N -1 3 268.280 1.264 20 30 CDEDHM C=CCSCCNc1cc(-c2nnn[n-]2)ccn1 ZINC001588694113 1173099030 /nfs/dbraw/zinc/09/90/30/1173099030.db2.gz CLONGJAGNZMYBR-UHFFFAOYSA-N -1 3 262.342 1.593 20 30 CDEDHM C=CCSCCNc1cc(-c2nn[n-]n2)ccn1 ZINC001588694113 1173099034 /nfs/dbraw/zinc/09/90/34/1173099034.db2.gz CLONGJAGNZMYBR-UHFFFAOYSA-N -1 3 262.342 1.593 20 30 CDEDHM CC(C)(C#N)CC(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001589033965 1173120862 /nfs/dbraw/zinc/12/08/62/1173120862.db2.gz NSPIBOVYXQOYNF-UHFFFAOYSA-N -1 3 296.334 1.696 20 30 CDEDHM CC(C)(C#N)CC(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001589033965 1173120866 /nfs/dbraw/zinc/12/08/66/1173120866.db2.gz NSPIBOVYXQOYNF-UHFFFAOYSA-N -1 3 296.334 1.696 20 30 CDEDHM C[C@H](CC#N)NC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001589788010 1173180834 /nfs/dbraw/zinc/18/08/34/1173180834.db2.gz RUSBRUFWVSVEET-ZCFIWIBFSA-N -1 3 277.313 1.352 20 30 CDEDHM C[C@H](CC#N)NC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001589788010 1173180837 /nfs/dbraw/zinc/18/08/37/1173180837.db2.gz RUSBRUFWVSVEET-ZCFIWIBFSA-N -1 3 277.313 1.352 20 30 CDEDHM C[C@H](CC(C)(C)O)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589795387 1173183767 /nfs/dbraw/zinc/18/37/67/1173183767.db2.gz DJYCVXCONQOSOP-SECBINFHSA-N -1 3 286.339 1.700 20 30 CDEDHM CCC(=NNC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590358874 1173373715 /nfs/dbraw/zinc/37/37/15/1173373715.db2.gz IXKGOENCJFXNIO-UHFFFAOYSA-N -1 3 256.313 1.733 20 30 CDEDHM CCC(=NNC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590358874 1173373723 /nfs/dbraw/zinc/37/37/23/1173373723.db2.gz IXKGOENCJFXNIO-UHFFFAOYSA-N -1 3 256.313 1.733 20 30 CDEDHM CC[C@@H](C)NN=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001590414616 1173400462 /nfs/dbraw/zinc/40/04/62/1173400462.db2.gz QGLXWIUONQEJCY-SSDOTTSWSA-N -1 3 280.282 1.867 20 30 CDEDHM CC[C@@H](C)NN=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001590414616 1173400465 /nfs/dbraw/zinc/40/04/65/1173400465.db2.gz QGLXWIUONQEJCY-SSDOTTSWSA-N -1 3 280.282 1.867 20 30 CDEDHM CCN(C(=O)CC1(C#N)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590669120 1173486220 /nfs/dbraw/zinc/48/62/20/1173486220.db2.gz KLORMWWESNGBBB-UHFFFAOYSA-N -1 3 296.334 1.913 20 30 CDEDHM CCN(C(=O)CC1(C#N)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590669120 1173486224 /nfs/dbraw/zinc/48/62/24/1173486224.db2.gz KLORMWWESNGBBB-UHFFFAOYSA-N -1 3 296.334 1.913 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001590683096 1173488690 /nfs/dbraw/zinc/48/86/90/1173488690.db2.gz UZCAXZNSQCKPHK-JTQLQIEISA-N -1 3 298.350 1.797 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001590683096 1173488692 /nfs/dbraw/zinc/48/86/92/1173488692.db2.gz UZCAXZNSQCKPHK-JTQLQIEISA-N -1 3 298.350 1.797 20 30 CDEDHM CN(C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001590973457 1173555087 /nfs/dbraw/zinc/55/50/87/1173555087.db2.gz YPLZRKRSYYRCNS-GFCCVEGCSA-N -1 3 296.334 1.170 20 30 CDEDHM CN(Cc1cc[nH]n1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591133320 1173575201 /nfs/dbraw/zinc/57/52/01/1173575201.db2.gz GJBXMDFFTNGDMX-UHFFFAOYSA-N -1 3 280.295 1.098 20 30 CDEDHM CN(Cc1cc[nH]n1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591133320 1173575207 /nfs/dbraw/zinc/57/52/07/1173575207.db2.gz GJBXMDFFTNGDMX-UHFFFAOYSA-N -1 3 280.295 1.098 20 30 CDEDHM CO[C@@]1(CN=Nc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC001591340480 1173618734 /nfs/dbraw/zinc/61/87/34/1173618734.db2.gz UHCBLOKWFZYLKW-CYBMUJFWSA-N -1 3 288.311 1.070 20 30 CDEDHM CO[C@@]1(CN=Nc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001591340480 1173618739 /nfs/dbraw/zinc/61/87/39/1173618739.db2.gz UHCBLOKWFZYLKW-CYBMUJFWSA-N -1 3 288.311 1.070 20 30 CDEDHM Cc1c(C(=O)N[C@@](C)(C#N)C(C)C)cccc1-c1nnn[n-]1 ZINC001591805776 1173706581 /nfs/dbraw/zinc/70/65/81/1173706581.db2.gz QEIKMNHIPDNRAA-HNNXBMFYSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1c(C(=O)N[C@@](C)(C#N)C(C)C)cccc1-c1nn[n-]n1 ZINC001591805776 1173706583 /nfs/dbraw/zinc/70/65/83/1173706583.db2.gz QEIKMNHIPDNRAA-HNNXBMFYSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1cc(CN(C)C[C@@H](C)C#N)ccc1-c1nn[n-]n1 ZINC001591960879 1173757417 /nfs/dbraw/zinc/75/74/17/1173757417.db2.gz CYEQJVKHLZWTQH-JTQLQIEISA-N -1 3 270.340 1.767 20 30 CDEDHM Cn1cnc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001592587693 1173924779 /nfs/dbraw/zinc/92/47/79/1173924779.db2.gz ZTLUGRWJQWRQBD-WAYWQWQTSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1cnc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001592587693 1173924784 /nfs/dbraw/zinc/92/47/84/1173924784.db2.gz ZTLUGRWJQWRQBD-WAYWQWQTSA-N -1 3 280.291 1.496 20 30 CDEDHM F[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cn1 ZINC001592631629 1173940613 /nfs/dbraw/zinc/94/06/13/1173940613.db2.gz UVTPCFBQPPIGCF-MRVPVSSYSA-N -1 3 261.264 1.552 20 30 CDEDHM F[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cn1 ZINC001592631629 1173940616 /nfs/dbraw/zinc/94/06/16/1173940616.db2.gz UVTPCFBQPPIGCF-MRVPVSSYSA-N -1 3 261.264 1.552 20 30 CDEDHM N#CCc1ccc(CNc2ncncc2-c2nnn[n-]2)cc1 ZINC001592680310 1173969675 /nfs/dbraw/zinc/96/96/75/1173969675.db2.gz URDGFWLXBQLSEB-UHFFFAOYSA-N -1 3 292.306 1.335 20 30 CDEDHM N#Cc1cnccc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC001592703992 1173977224 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/nfs/dbraw/zinc/60/32/54/924603254.db2.gz TWTLORYXYRCROA-UHFFFAOYSA-N -1 3 265.298 1.100 20 30 CDEDHM CC(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196252926 924849495 /nfs/dbraw/zinc/84/94/95/924849495.db2.gz KEWIKVJEXWIEJC-NSHDSACASA-N -1 3 287.772 1.952 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=S)NCc1ccc(F)cc1 ZINC001196512270 924917828 /nfs/dbraw/zinc/91/78/28/924917828.db2.gz YXDLFSQNYMCEKH-KWQFWETISA-N -1 3 297.355 1.026 20 30 CDEDHM CN(CCNc1ccc(C#N)nc1)C(=O)c1ccccc1[O-] ZINC001101520029 936982113 /nfs/dbraw/zinc/98/21/13/936982113.db2.gz DMVMFRQELFKNDF-UHFFFAOYSA-N -1 3 296.330 1.843 20 30 CDEDHM COc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(=O)[nH]1 ZINC001199197307 925631159 /nfs/dbraw/zinc/63/11/59/925631159.db2.gz CYHWJCRCVMKHEE-UHFFFAOYSA-N -1 3 285.259 1.625 20 30 CDEDHM C=CCN1CC[C@@]2(CCCN2Cc2ncccc2[O-])C1=O ZINC001273324737 925933128 /nfs/dbraw/zinc/93/31/28/925933128.db2.gz BQQKUIUHWPLSDF-INIZCTEOSA-N -1 3 287.363 1.540 20 30 CDEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NC(C)(C)C ZINC000776280582 926548817 /nfs/dbraw/zinc/54/88/17/926548817.db2.gz UQIMPUFYOOXCAL-SECBINFHSA-N -1 3 290.319 1.724 20 30 CDEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CO[C@H](C)C2)c1[O-] ZINC000843264698 937126385 /nfs/dbraw/zinc/12/63/85/937126385.db2.gz RKSDPQQXTSDAOO-GGJRLHGGSA-N -1 3 250.298 1.184 20 30 CDEDHM C=CCOC[C@@H](O)CNc1cc(=O)[n-]c(C2CC2)n1 ZINC001252453110 928383460 /nfs/dbraw/zinc/38/34/60/928383460.db2.gz BUWWJVKLIUXEML-JTQLQIEISA-N -1 3 265.313 1.035 20 30 CDEDHM C=CCN(C(=O)c1cccc(O)c1[O-])[C@H](C)COC ZINC000691808931 928629966 /nfs/dbraw/zinc/62/99/66/928629966.db2.gz JIVLWWOXPFLSDA-SNVBAGLBSA-N -1 3 265.309 1.761 20 30 CDEDHM COc1cc(C(=O)[N-]c2cc(C#N)cc(C)n2)on1 ZINC001129378745 928775014 /nfs/dbraw/zinc/77/50/14/928775014.db2.gz LVVYPQFGHYTITB-UHFFFAOYSA-N -1 3 258.237 1.511 20 30 CDEDHM CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)C1(O)CCCC1 ZINC000786035422 929199098 /nfs/dbraw/zinc/19/90/98/929199098.db2.gz GHFAIOGWOZDWDM-JTQLQIEISA-N -1 3 260.284 1.735 20 30 CDEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152460379 937364278 /nfs/dbraw/zinc/36/42/78/937364278.db2.gz OMFKSNAVSHJPJA-INIZCTEOSA-N -1 3 299.330 1.880 20 30 CDEDHM O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCCN([O-])C1=O ZINC000816757305 930358109 /nfs/dbraw/zinc/35/81/09/930358109.db2.gz PWANLNAUKPNGAX-LLVKDONJSA-N -1 3 284.262 1.004 20 30 CDEDHM Cc1ccc(CCC(=O)N[C@@H]2CCCN([O-])C2=O)c(C)c1 ZINC000816757170 930358764 /nfs/dbraw/zinc/35/87/64/930358764.db2.gz MWOJOEIIPLZHCJ-CQSZACIVSA-N -1 3 290.363 1.732 20 30 CDEDHM Cc1cc(C)cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000816758979 930360513 /nfs/dbraw/zinc/36/05/13/930360513.db2.gz BQRBTMCPCWDDOC-GFCCVEGCSA-N -1 3 262.309 1.413 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1Cl ZINC000816758241 930360802 /nfs/dbraw/zinc/36/08/02/930360802.db2.gz KZNCWYURIJVNJQ-SNVBAGLBSA-N -1 3 268.700 1.450 20 30 CDEDHM C=C(C)CN1CCC(NC(=O)N(C)CCC(=O)[O-])CC1 ZINC000817675351 930583014 /nfs/dbraw/zinc/58/30/14/930583014.db2.gz 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CCOC(=O)c1ccc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)nc1C ZINC001160173379 938773132 /nfs/dbraw/zinc/77/31/32/938773132.db2.gz GFOCJBLLBQAGRC-UFBFGSQYSA-N -1 3 293.323 1.215 20 30 CDEDHM C=C(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001161433522 938903350 /nfs/dbraw/zinc/90/33/50/938903350.db2.gz MZJNZUQIQZKUPU-UHFFFAOYSA-N -1 3 261.260 1.911 20 30 CDEDHM C=C(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001161433522 938903351 /nfs/dbraw/zinc/90/33/51/938903351.db2.gz MZJNZUQIQZKUPU-UHFFFAOYSA-N -1 3 261.260 1.911 20 30 CDEDHM Cc1ncc(Nc2ncc3c(c2C#N)CCCC3)c(=O)[n-]1 ZINC001162305837 938977034 /nfs/dbraw/zinc/97/70/34/938977034.db2.gz NBJOZJXEJIWVQC-CYBMUJFWSA-N -1 3 281.319 1.642 20 30 CDEDHM N#CCCOc1ccc(NCCCc2c[n-][nH]c2=O)cc1 ZINC001164383167 939468881 /nfs/dbraw/zinc/46/88/81/939468881.db2.gz SRWOGXCNICKCCH-GFCCVEGCSA-N -1 3 286.335 1.903 20 30 CDEDHM N#Cc1cc2[nH]ccc2c(NCCCc2c[n-][nH]c2=O)c1 ZINC001164394611 939469681 /nfs/dbraw/zinc/46/96/81/939469681.db2.gz HMEHKJXXJZTJRB-NSHDSACASA-N -1 3 281.319 1.963 20 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ADTCVYZZJGTWOC-UHFFFAOYSA-N -1 3 262.276 1.995 20 30 CDEDHM N#CCCCC[C@@H](N)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001261888933 946321249 /nfs/dbraw/zinc/32/12/49/946321249.db2.gz IUIKGIIAALJTPZ-CYBMUJFWSA-N -1 3 289.335 1.412 20 30 CDEDHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C#N)COC ZINC000825627153 947264282 /nfs/dbraw/zinc/26/42/82/947264282.db2.gz VFIDUDBUVDUUEP-JTQLQIEISA-N -1 3 288.311 1.216 20 30 CDEDHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C#N)COC ZINC000825627153 947264290 /nfs/dbraw/zinc/26/42/90/947264290.db2.gz VFIDUDBUVDUUEP-JTQLQIEISA-N -1 3 288.311 1.216 20 30 CDEDHM CCn1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cn1 ZINC000825799312 947333566 /nfs/dbraw/zinc/33/35/66/947333566.db2.gz IXSNLONOUYLVPB-FPLPWBNLSA-N -1 3 294.318 1.979 20 30 CDEDHM CCn1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cn1 ZINC000825799312 947333581 /nfs/dbraw/zinc/33/35/81/947333581.db2.gz IXSNLONOUYLVPB-FPLPWBNLSA-N -1 3 294.318 1.979 20 30 CDEDHM CC[C@@](COC)(NCc1cc(C#N)ccc1F)C(=O)[O-] ZINC000328572841 971508720 /nfs/dbraw/zinc/50/87/20/971508720.db2.gz VBGGFKKNIQLLKT-AWEZNQCLSA-N -1 3 280.299 1.667 20 30 CDEDHM C#CCN(C)CCCNC(=O)Nc1ccccc1C(=O)[O-] ZINC000328086174 951121821 /nfs/dbraw/zinc/12/18/21/951121821.db2.gz HPBWELLHKRSMNJ-UHFFFAOYSA-N -1 3 289.335 1.461 20 30 CDEDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C#N)c(C)n1)C2 ZINC001363059121 971852614 /nfs/dbraw/zinc/85/26/14/971852614.db2.gz NFKCNPYNTDRMGG-UHFFFAOYSA-N -1 3 295.302 1.222 20 30 CDEDHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cnc2ccc(C#N)cn12 ZINC001589308661 953778152 /nfs/dbraw/zinc/77/81/52/953778152.db2.gz XVHVASALBLTGGX-WCQYABFASA-N -1 3 298.346 1.891 20 30 CDEDHM COC(=O)c1cnc(SCc2cc(C#N)ccn2)[n-]1 ZINC001364613699 954895427 /nfs/dbraw/zinc/89/54/27/954895427.db2.gz KGTKBVSTTLZCIS-UHFFFAOYSA-N -1 3 274.305 1.755 20 30 CDEDHM CCCCCCCN1CCO[C@](COC)(C(=O)[O-])C1 ZINC000711528511 955045742 /nfs/dbraw/zinc/04/57/42/955045742.db2.gz RWCSLGBEYCDOCT-CQSZACIVSA-N -1 3 273.373 1.759 20 30 CDEDHM C=CCN1CCC(NC(=O)C2(C(=O)[O-])CCCC2)CC1 ZINC001335028203 959535319 /nfs/dbraw/zinc/53/53/19/959535319.db2.gz AXSOLYUPZZWNTR-UHFFFAOYSA-N -1 3 280.368 1.398 20 30 CDEDHM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(F)c(C#N)c1 ZINC000235638850 960471177 /nfs/dbraw/zinc/47/11/77/960471177.db2.gz FHCKJXZXGVCKAH-JOYOIKCWSA-N -1 3 262.284 1.992 20 30 CDEDHM C#CCN(C)CCCNC(=O)c1ccccc1C(=O)[O-] ZINC000392810993 972526385 /nfs/dbraw/zinc/52/63/85/972526385.db2.gz LZXGXJVFJTYXNV-UHFFFAOYSA-N -1 3 274.320 1.070 20 30 CDEDHM C#CCOc1ccccc1CN[C@H](C(=O)[O-])[C@@H](C)OC ZINC001336928452 960755194 /nfs/dbraw/zinc/75/51/94/960755194.db2.gz NIFAHQQXDJFMHC-RISCZKNCSA-N -1 3 277.320 1.276 20 30 CDEDHM C=C(Cl)CNCc1cc(=O)[n-]c(CNC(=O)CCC)n1 ZINC001418743012 960970360 /nfs/dbraw/zinc/97/03/60/960970360.db2.gz QVWCSZNYUIOXPZ-UHFFFAOYSA-N -1 3 298.774 1.441 20 30 CDEDHM C=CCN(CC=C)c1nnc(-c2cnc[n-]c2=O)n1CC ZINC001340324678 962889644 /nfs/dbraw/zinc/88/96/44/962889644.db2.gz LFSNHPPEGAHZOB-UHFFFAOYSA-N -1 3 286.339 1.639 20 30 CDEDHM C=CCN1CCC(NC(=O)[C@@H](C(=O)[O-])C(C)C)CC1 ZINC001349485981 966363374 /nfs/dbraw/zinc/36/33/74/966363374.db2.gz DEKHWSFGXOISBR-LBPRGKRZSA-N -1 3 268.357 1.110 20 30 CDEDHM CC(C)[C@H](CNCc1nc(C#N)cs1)C(=O)[O-] ZINC001349866284 966505378 /nfs/dbraw/zinc/50/53/78/966505378.db2.gz VJSWXTQDYSDHIT-VIFPVBQESA-N -1 3 253.327 1.461 20 30 CDEDHM CC#CC[C@@H](NCc1cccc2c1OCO2)C(=O)[O-] ZINC001350667057 966730871 /nfs/dbraw/zinc/73/08/71/966730871.db2.gz JICKFVFURFZAGO-LLVKDONJSA-N -1 3 261.277 1.372 20 30 CDEDHM C=CCCn1cc(CNC[C@H](CC)C(=O)[O-])nn1 ZINC001355405825 969781765 /nfs/dbraw/zinc/78/17/65/969781765.db2.gz SBQWVXDWVAHQGU-JTQLQIEISA-N -1 3 252.318 1.055 20 30 CDEDHM N#Cc1cc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c[nH]1 ZINC001468756880 970190638 /nfs/dbraw/zinc/19/06/38/970190638.db2.gz SHRCOKSXHGSFDV-UHFFFAOYSA-N -1 3 293.290 1.243 20 30 CDEDHM N#Cc1cc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c[nH]1 ZINC001468756880 970190642 /nfs/dbraw/zinc/19/06/42/970190642.db2.gz SHRCOKSXHGSFDV-UHFFFAOYSA-N -1 3 293.290 1.243 20 30 CDEDHM N#Cc1c[nH]nc1[N-]C(=O)c1ncoc1[C@H]1CCCO1 ZINC001469285311 970237763 /nfs/dbraw/zinc/23/77/63/970237763.db2.gz KSIBBKFRWRFPSH-MRVPVSSYSA-N -1 3 273.252 1.373 20 30 CDEDHM C=C(Cl)CN[C@H](C)CCNC(=O)c1[nH]nc(C)c1[O-] ZINC001371741164 972622466 /nfs/dbraw/zinc/62/24/66/972622466.db2.gz JSFVIRZYVRREKH-MRVPVSSYSA-N -1 3 286.763 1.274 20 30 CDEDHM C#CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OCC)C(=O)[O-] ZINC001588423213 983451394 /nfs/dbraw/zinc/45/13/94/983451394.db2.gz ZMVMKIGMVATFPO-GFCCVEGCSA-N -1 3 292.291 1.560 20 30 CDEDHM C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001588744110 984041485 /nfs/dbraw/zinc/04/14/85/984041485.db2.gz HOBHZZAJCPGQPI-ONGXEEELSA-N -1 3 265.309 1.678 20 30 CDEDHM C=CCN1CC[C@@H](N2CCC[C@@H](CCC(=O)[O-])C2)C1=O ZINC001588838416 984337163 /nfs/dbraw/zinc/33/71/63/984337163.db2.gz DLIGQFHXDCBKLR-QWHCGFSZSA-N -1 3 280.368 1.350 20 30 CDEDHM COC[C@@H](C)NN=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001605052794 1163433865 /nfs/dbraw/zinc/43/38/65/1163433865.db2.gz PESBMABURXMTSS-SNVBAGLBSA-N -1 3 274.328 1.134 20 30 CDEDHM COC[C@@H](C)NN=Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001605052794 1163433871 /nfs/dbraw/zinc/43/38/71/1163433871.db2.gz PESBMABURXMTSS-SNVBAGLBSA-N -1 3 274.328 1.134 20 30 CDEDHM COC[C@@H](C)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001605052418 1163433985 /nfs/dbraw/zinc/43/39/85/1163433985.db2.gz ZGHXOOBTARTYHI-VIFPVBQESA-N -1 3 272.312 1.433 20 30 CDEDHM COC[C@@H](C)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001605052418 1163433994 /nfs/dbraw/zinc/43/39/94/1163433994.db2.gz ZGHXOOBTARTYHI-VIFPVBQESA-N -1 3 272.312 1.433 20 30 CDEDHM COCCCNN=C(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001605088872 1163449015 /nfs/dbraw/zinc/44/90/15/1163449015.db2.gz BVXKXXOFUFTMPS-UHFFFAOYSA-N -1 3 274.328 1.217 20 30 CDEDHM COCCCNN=C(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001605088872 1163449018 /nfs/dbraw/zinc/44/90/18/1163449018.db2.gz BVXKXXOFUFTMPS-UHFFFAOYSA-N -1 3 274.328 1.217 20 30 CDEDHM CC(C)OCCO[N-]C(=O)Cc1ccc(OCC#N)cc1 ZINC000812807823 1163737045 /nfs/dbraw/zinc/73/70/45/1163737045.db2.gz KEZQSUTZQLQDPP-UHFFFAOYSA-N -1 3 292.335 1.604 20 30 CDEDHM O=C(CCCOc1ccc(F)cc1)N=C1[N-]C(=O)CN1 ZINC000050223077 342286077 /nfs/dbraw/zinc/28/60/77/342286077.db2.gz IRQDPEOJOIYUJP-UHFFFAOYSA-N -1 3 279.271 1.427 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)s1 ZINC000594805908 342959459 /nfs/dbraw/zinc/95/94/59/342959459.db2.gz WXCZQOXROPFSSC-LDYMZIIASA-N -1 3 268.363 1.841 20 30 CDEDHM CCc1nc(S(=O)(=O)[N-]C[C@H](C)C#N)cn1CC1CC1 ZINC000595318128 343034283 /nfs/dbraw/zinc/03/42/83/343034283.db2.gz RYBHHMRQHBYTCD-SNVBAGLBSA-N -1 3 296.396 1.293 20 30 CDEDHM Cc1cc(C)cc(C2(C(=O)N=C3[N-]C(=O)CN3)CC2)c1 ZINC000056214333 342444721 /nfs/dbraw/zinc/44/47/21/342444721.db2.gz SJYZOKKZAUPJGS-UHFFFAOYSA-N -1 3 271.320 1.777 20 30 CDEDHM CN(C(=O)c1ccc2[nH][n-]c(=O)c2c1)C1(C#N)CCC1 ZINC000596912849 343415309 /nfs/dbraw/zinc/41/53/09/343415309.db2.gz VWBRVPMOCLKPRM-UHFFFAOYSA-N -1 3 270.292 1.787 20 30 CDEDHM CC(C)(CC#N)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000597763666 343637824 /nfs/dbraw/zinc/63/78/24/343637824.db2.gz QPFWSGBKSYYHLK-UHFFFAOYSA-N -1 3 272.308 1.938 20 30 CDEDHM N#CCCN(CC1CC1)C(=O)c1cc(F)c[n-]c1=O ZINC000598691914 343868684 /nfs/dbraw/zinc/86/86/84/343868684.db2.gz RKCBWNVAAPTLQX-UHFFFAOYSA-N -1 3 263.272 1.692 20 30 CDEDHM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000276982575 362258518 /nfs/dbraw/zinc/25/85/18/362258518.db2.gz HHBYYIWDKRLDOS-JQWIXIFHSA-N -1 3 295.364 1.189 20 30 CDEDHM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccccn1 ZINC000603835658 344838847 /nfs/dbraw/zinc/83/88/47/344838847.db2.gz GEPOAAGBVUUYHU-SNVBAGLBSA-N -1 3 270.248 1.818 20 30 CDEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCC1 ZINC000601450768 349964166 /nfs/dbraw/zinc/96/41/66/349964166.db2.gz HWUIGAGPOQGJFY-WDEREUQCSA-N -1 3 277.349 1.420 20 30 CDEDHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000610887122 346482907 /nfs/dbraw/zinc/48/29/07/346482907.db2.gz RFQBBDCPCZKSAB-GFCCVEGCSA-N -1 3 270.329 1.937 20 30 CDEDHM CN1CCC(C#N)(NC(=O)c2c([O-])cccc2F)CC1 ZINC000228904887 346545126 /nfs/dbraw/zinc/54/51/26/346545126.db2.gz RNJWATMRNYLESA-UHFFFAOYSA-N -1 3 277.299 1.249 20 30 CDEDHM Cc1occc1C[N-]S(=O)(=O)c1ccccc1C#N ZINC000611015713 346580246 /nfs/dbraw/zinc/58/02/46/346580246.db2.gz JGPDPEMEUKIBNL-UHFFFAOYSA-N -1 3 276.317 1.938 20 30 CDEDHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)CCCCC#N)C(=O)OC ZINC000068876200 347568376 /nfs/dbraw/zinc/56/83/76/347568376.db2.gz LSAQXYBLDGWYEU-WDEREUQCSA-N -1 3 290.385 1.187 20 30 CDEDHM N#C[C@@]1(F)CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000615663928 348630058 /nfs/dbraw/zinc/63/00/58/348630058.db2.gz HCALNNJOCMYOPY-LBPRGKRZSA-N -1 3 250.229 1.176 20 30 CDEDHM C=CCC1(NC(=O)c2ccc3n[n-]nc3c2)CCOCC1 ZINC000618245630 349414287 /nfs/dbraw/zinc/41/42/87/349414287.db2.gz CDEHVOUVBIDEAR-UHFFFAOYSA-N -1 3 286.335 1.813 20 30 CDEDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)C#N)c([N+](=O)[O-])c1 ZINC000080628940 351101420 /nfs/dbraw/zinc/10/14/20/351101420.db2.gz UZTYVISATROYOT-VIFPVBQESA-N -1 3 283.309 1.341 20 30 CDEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000157684670 188332323 /nfs/dbraw/zinc/33/23/23/188332323.db2.gz JWKYFJXPWSJGTP-QMMMGPOBSA-N -1 3 289.378 1.778 20 30 CDEDHM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1ccncn1 ZINC000354394945 283055616 /nfs/dbraw/zinc/05/56/16/283055616.db2.gz DLVCFGLKMXGLRO-LLVKDONJSA-N -1 3 281.275 1.457 20 30 CDEDHM CC(C)(C)[C@@H](C#N)NC(=O)/C=C/c1cncc([O-])c1 ZINC000493347014 366295676 /nfs/dbraw/zinc/29/56/76/366295676.db2.gz BEIHRWDLJABIMS-ZYOFXKKJSA-N -1 3 259.309 1.855 20 30 CDEDHM O=C(/C=C/c1ccsc1)N[C@H]1CCCN([O-])C1=O ZINC000493363216 366312245 /nfs/dbraw/zinc/31/22/45/366312245.db2.gz DYBAVFJKDLZADH-FSIBCCDJSA-N -1 3 266.322 1.258 20 30 CDEDHM N#Cc1cccc(NC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC000608985239 356801425 /nfs/dbraw/zinc/80/14/25/356801425.db2.gz JLGFLGZPXNNOIX-UHFFFAOYSA-N -1 3 295.298 1.632 20 30 CDEDHM C#CCO[C@H](C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000294775818 199177206 /nfs/dbraw/zinc/17/72/06/199177206.db2.gz CFSOYYGJOPSZGT-SNVBAGLBSA-N -1 3 291.303 1.546 20 30 CDEDHM C=C(C)C[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000119206955 358640470 /nfs/dbraw/zinc/64/04/70/358640470.db2.gz YBMUYYNMHWRDHM-UHFFFAOYSA-N -1 3 287.312 1.467 20 30 CDEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCC1 ZINC000567721569 358723380 /nfs/dbraw/zinc/72/33/80/358723380.db2.gz PNWGUHQRRCWXAC-RYUDHWBXSA-N -1 3 291.376 1.668 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2O)s1 ZINC000230339369 359057668 /nfs/dbraw/zinc/05/76/68/359057668.db2.gz NCEPLAJGIVNSKQ-VHSXEESVSA-N -1 3 286.378 1.202 20 30 CDEDHM C=CCCS(=O)(=O)[N-]Cc1noc(-c2cccs2)n1 ZINC000268855227 359364909 /nfs/dbraw/zinc/36/49/09/359364909.db2.gz LLEDWNPLKJURHD-UHFFFAOYSA-N -1 3 299.377 1.794 20 30 CDEDHM C=CCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2[O-])C1=O ZINC000337084845 359979130 /nfs/dbraw/zinc/97/91/30/359979130.db2.gz CYLLZHHIVCIXHY-ZDUSSCGKSA-N -1 3 288.347 1.560 20 30 CDEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C)ccc1F 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CEJJVEBNWFCJSU-UHFFFAOYSA-N -1 3 294.318 1.380 20 30 CDEDHM CC1(C#N)CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824777958 609173536 /nfs/dbraw/zinc/17/35/36/609173536.db2.gz LSPQMXMRTHWPPB-UHFFFAOYSA-N -1 3 296.334 1.633 20 30 CDEDHM CC1(C#N)CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824777958 609173538 /nfs/dbraw/zinc/17/35/38/609173538.db2.gz LSPQMXMRTHWPPB-UHFFFAOYSA-N -1 3 296.334 1.633 20 30 CDEDHM C[C@H]1CC(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)=NO1 ZINC000824886149 609260574 /nfs/dbraw/zinc/26/05/74/609260574.db2.gz WCIHLJDTSTZBPQ-UCUJLANTSA-N -1 3 298.306 1.118 20 30 CDEDHM C[C@H]1CC(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)=NO1 ZINC000824886149 609260575 /nfs/dbraw/zinc/26/05/75/609260575.db2.gz WCIHLJDTSTZBPQ-UCUJLANTSA-N -1 3 298.306 1.118 20 30 CDEDHM Fc1cc(NN=Cc2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000826372605 609281017 /nfs/dbraw/zinc/28/10/17/609281017.db2.gz FCICKALDFLWJKS-UHFFFAOYSA-N -1 3 283.270 1.847 20 30 CDEDHM Fc1cc(NN=Cc2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000826372605 609281018 /nfs/dbraw/zinc/28/10/18/609281018.db2.gz FCICKALDFLWJKS-UHFFFAOYSA-N -1 3 283.270 1.847 20 30 CDEDHM C[C@@H]1C[C@H](NN=Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824893175 609518693 /nfs/dbraw/zinc/51/86/93/609518693.db2.gz PJLKHDKMIGGAON-ZWNOBZJWSA-N -1 3 286.339 1.358 20 30 CDEDHM C[C@@H]1C[C@H](NN=Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824893175 609518694 /nfs/dbraw/zinc/51/86/94/609518694.db2.gz PJLKHDKMIGGAON-ZWNOBZJWSA-N -1 3 286.339 1.358 20 30 CDEDHM C#C[C@@H]1CCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000890651025 617249637 /nfs/dbraw/zinc/24/96/37/617249637.db2.gz VMFSHZMCZVPGEV-LLVKDONJSA-N -1 3 281.315 1.963 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)CCC(=O)c1cnn(C)c1 ZINC000846555738 617413265 /nfs/dbraw/zinc/41/32/65/617413265.db2.gz UYZMUQFUOXMFJF-SECBINFHSA-N -1 3 251.286 1.005 20 30 CDEDHM C=CCN(CC(=O)[O-])C(=O)c1cccc(CN(C)C)c1 ZINC000909514797 619540271 /nfs/dbraw/zinc/54/02/71/619540271.db2.gz LURWGAIOVDTTCP-UHFFFAOYSA-N -1 3 276.336 1.461 20 30 CDEDHM C=C(C)CN(CC)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000035083991 620835455 /nfs/dbraw/zinc/83/54/55/620835455.db2.gz IQWAUANPEQBVGJ-LBPRGKRZSA-N -1 3 268.357 1.208 20 30 CDEDHM C=C1CCC(C(=O)Nc2n[n-]c(CC(=O)OC)n2)CC1 ZINC000900740256 623437880 /nfs/dbraw/zinc/43/78/80/623437880.db2.gz UOOJEGYBGMQOOI-UHFFFAOYSA-N -1 3 278.312 1.205 20 30 CDEDHM CC(C)S(=O)(=O)NN=Cc1cc([O-])cc(Cl)c1 ZINC000901181755 623921917 /nfs/dbraw/zinc/92/19/17/623921917.db2.gz DLEPHRZYXIAASL-UHFFFAOYSA-N -1 3 276.745 1.707 20 30 CDEDHM O=C(c1cc[nH]c(=O)c1)N([O-])Cc1ccc(F)cc1 ZINC000901372039 624202779 /nfs/dbraw/zinc/20/27/79/624202779.db2.gz OAVWSXGATPRUCL-UHFFFAOYSA-N -1 3 262.240 1.958 20 30 CDEDHM CCCCN([O-])C(=O)C1(S(C)(=O)=O)CCCC1 ZINC000904214897 626227452 /nfs/dbraw/zinc/22/74/52/626227452.db2.gz QZZZWBHFJMRBES-UHFFFAOYSA-N -1 3 263.359 1.362 20 30 CDEDHM CCCCN([O-])C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000904212318 626226476 /nfs/dbraw/zinc/22/64/76/626226476.db2.gz OERCFSYTXNWGEL-UHFFFAOYSA-N -1 3 272.345 1.871 20 30 CDEDHM COc1cccc([O-])c1C(=O)N1CC[C@@](F)(C#N)C1 ZINC000907634425 627754116 /nfs/dbraw/zinc/75/41/16/627754116.db2.gz COMBQYIDRWBTHV-CYBMUJFWSA-N -1 3 264.256 1.479 20 30 CDEDHM C=CCSCC[N-]S(=O)(=O)c1cnc(OC)s1 ZINC000913992581 630940916 /nfs/dbraw/zinc/94/09/16/630940916.db2.gz CVMOEYPXCICZNS-UHFFFAOYSA-N -1 3 294.423 1.349 20 30 CDEDHM Cc1ncc(CO)c(C=NN[C@@H]2CCOC2(C)C)c1[O-] ZINC000835014527 631560916 /nfs/dbraw/zinc/56/09/16/631560916.db2.gz ILICNATXVBSVPZ-GFCCVEGCSA-N -1 3 279.340 1.079 20 30 CDEDHM O=C1CN(N=Cc2ccc(-c3ccccc3)o2)C(=O)[N-]1 ZINC000917541558 632235927 /nfs/dbraw/zinc/23/59/27/632235927.db2.gz KIHFWAXQZBIBJY-UHFFFAOYSA-N -1 3 269.260 1.832 20 30 CDEDHM C=CCCC1(CNC(=O)[C@@H](N)CCC(=O)[O-])CCCC1 ZINC001602856694 1175436355 /nfs/dbraw/zinc/43/63/55/1175436355.db2.gz FRCLINFUDFLGQD-LBPRGKRZSA-N -1 3 282.384 1.821 20 30 CDEDHM CCN(CCC#N)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001604289255 1163144031 /nfs/dbraw/zinc/14/40/31/1163144031.db2.gz IVIZCSUKNBOLCD-UHFFFAOYSA-N -1 3 270.340 1.645 20 30 CDEDHM CN(CC(C)(C)C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001604712828 1163292296 /nfs/dbraw/zinc/29/22/96/1163292296.db2.gz OGNNGKRIBNDRIQ-UHFFFAOYSA-N -1 3 299.338 1.880 20 30 CDEDHM CN(CC(C)(C)C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001604712828 1163292300 /nfs/dbraw/zinc/29/23/00/1163292300.db2.gz OGNNGKRIBNDRIQ-UHFFFAOYSA-N -1 3 299.338 1.880 20 30 CDEDHM COc1ccc(CN2CC(C)(C#N)C2)cc1-c1nnn[n-]1 ZINC001605274780 1163510926 /nfs/dbraw/zinc/51/09/26/1163510926.db2.gz BLNHGJOTAFNEOP-UHFFFAOYSA-N -1 3 284.323 1.221 20 30 CDEDHM COc1ccc(CN2CC(C)(C#N)C2)cc1-c1nn[n-]n1 ZINC001605274780 1163510934 /nfs/dbraw/zinc/51/09/34/1163510934.db2.gz BLNHGJOTAFNEOP-UHFFFAOYSA-N -1 3 284.323 1.221 20 30 CDEDHM N#Cc1ncccc1OCc1cc(-c2nnn[n-]2)ccc1F ZINC001606398402 1163889750 /nfs/dbraw/zinc/88/97/50/1163889750.db2.gz AAQDKOKCDHMTDB-UHFFFAOYSA-N -1 3 296.265 1.851 20 30 CDEDHM N#Cc1ncccc1OCc1cc(-c2nn[n-]n2)ccc1F ZINC001606398402 1163889756 /nfs/dbraw/zinc/88/97/56/1163889756.db2.gz AAQDKOKCDHMTDB-UHFFFAOYSA-N -1 3 296.265 1.851 20 30 CDEDHM C#CC[C@H](CO)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000816675145 1164162728 /nfs/dbraw/zinc/16/27/28/1164162728.db2.gz TYTHYVQNPCIXDZ-GFCCVEGCSA-N -1 3 261.321 1.630 20 30 CDEDHM C=CCO[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001609058647 1164752680 /nfs/dbraw/zinc/75/26/80/1164752680.db2.gz LVQHDJRWOPXFLR-LLVKDONJSA-N -1 3 286.339 1.351 20 30 CDEDHM C=CCO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001609058647 1164752684 /nfs/dbraw/zinc/75/26/84/1164752684.db2.gz LVQHDJRWOPXFLR-LLVKDONJSA-N -1 3 286.339 1.351 20 30 CDEDHM C=CCO[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001609058648 1164752718 /nfs/dbraw/zinc/75/27/18/1164752718.db2.gz LVQHDJRWOPXFLR-NSHDSACASA-N -1 3 286.339 1.351 20 30 CDEDHM C=CCO[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001609058648 1164752720 /nfs/dbraw/zinc/75/27/20/1164752720.db2.gz LVQHDJRWOPXFLR-NSHDSACASA-N -1 3 286.339 1.351 20 30 CDEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC1(F)F ZINC001609060975 1164754330 /nfs/dbraw/zinc/75/43/30/1164754330.db2.gz SFJYQQJUVMXXDE-LLVKDONJSA-N -1 3 292.293 1.987 20 30 CDEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC1(F)F ZINC001609060975 1164754336 /nfs/dbraw/zinc/75/43/36/1164754336.db2.gz SFJYQQJUVMXXDE-LLVKDONJSA-N -1 3 292.293 1.987 20 30 CDEDHM CCC[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001609207694 1164846389 /nfs/dbraw/zinc/84/63/89/1164846389.db2.gz QIHYSOACKKCRAM-GFCCVEGCSA-N -1 3 298.350 1.744 20 30 CDEDHM CCC[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001609207694 1164846395 /nfs/dbraw/zinc/84/63/95/1164846395.db2.gz QIHYSOACKKCRAM-GFCCVEGCSA-N -1 3 298.350 1.744 20 30 CDEDHM N#Cc1ccnc(CN2C3CCC(CC3)[C@H]2C(=O)[O-])c1 ZINC001574248272 1170930015 /nfs/dbraw/zinc/93/00/15/1170930015.db2.gz HOILFPCZYNBDSC-UBHUBRDASA-N -1 3 271.320 1.781 20 30 CDEDHM Cc1cc(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)no1 ZINC001651268247 1171311185 /nfs/dbraw/zinc/31/11/85/1171311185.db2.gz WMCICRCLSWBJJW-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM C#C[C@](C)(CC)NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588325776 1173023497 /nfs/dbraw/zinc/02/34/97/1173023497.db2.gz VKSYYJVKDDINPM-OAHLLOKOSA-N -1 3 299.334 1.407 20 30 CDEDHM C#C[C@](C)(CC)NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588325776 1173023505 /nfs/dbraw/zinc/02/35/05/1173023505.db2.gz VKSYYJVKDDINPM-OAHLLOKOSA-N -1 3 299.334 1.407 20 30 CDEDHM C#C[C@@H](C)N(C)c1nc2ncccc2cc1-c1nnn[n-]1 ZINC001588325391 1173023988 /nfs/dbraw/zinc/02/39/88/1173023988.db2.gz KMZKTTOXUPZUJU-SECBINFHSA-N -1 3 279.307 1.268 20 30 CDEDHM C#C[C@@H](C)N(C)c1nc2ncccc2cc1-c1nn[n-]n1 ZINC001588325391 1173023994 /nfs/dbraw/zinc/02/39/94/1173023994.db2.gz KMZKTTOXUPZUJU-SECBINFHSA-N -1 3 279.307 1.268 20 30 CDEDHM C#C[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588326824 1173028875 /nfs/dbraw/zinc/02/88/75/1173028875.db2.gz VXYRLWVVTHJKCF-MRVPVSSYSA-N -1 3 256.265 1.354 20 30 CDEDHM C#C[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588326824 1173028880 /nfs/dbraw/zinc/02/88/80/1173028880.db2.gz VXYRLWVVTHJKCF-MRVPVSSYSA-N -1 3 256.265 1.354 20 30 CDEDHM C#C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001588328635 1173030013 /nfs/dbraw/zinc/03/00/13/1173030013.db2.gz MMQOSWCSDYICSW-LBPRGKRZSA-N -1 3 286.266 1.574 20 30 CDEDHM C#C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001588328635 1173030015 /nfs/dbraw/zinc/03/00/15/1173030015.db2.gz MMQOSWCSDYICSW-LBPRGKRZSA-N -1 3 286.266 1.574 20 30 CDEDHM C#CCC(CC#C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC001588331200 1173033617 /nfs/dbraw/zinc/03/36/17/1173033617.db2.gz LTLIFUUOQVFACS-UHFFFAOYSA-N -1 3 294.314 1.573 20 30 CDEDHM C#CCC(CC#C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC001588331200 1173033622 /nfs/dbraw/zinc/03/36/22/1173033622.db2.gz LTLIFUUOQVFACS-UHFFFAOYSA-N -1 3 294.314 1.573 20 30 CDEDHM C#C[C@@H]1COCCN1c1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588330967 1173034252 /nfs/dbraw/zinc/03/42/52/1173034252.db2.gz MOYBKURSTZYWKM-SNVBAGLBSA-N -1 3 287.298 1.153 20 30 CDEDHM C#C[C@@H]1COCCN1c1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588330967 1173034255 /nfs/dbraw/zinc/03/42/55/1173034255.db2.gz MOYBKURSTZYWKM-SNVBAGLBSA-N -1 3 287.298 1.153 20 30 CDEDHM C#CC[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588335249 1173040843 /nfs/dbraw/zinc/04/08/43/1173040843.db2.gz DZAZYCVTXSXVPK-SNVBAGLBSA-N -1 3 284.323 1.070 20 30 CDEDHM C#CC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588335249 1173040850 /nfs/dbraw/zinc/04/08/50/1173040850.db2.gz DZAZYCVTXSXVPK-SNVBAGLBSA-N -1 3 284.323 1.070 20 30 CDEDHM C#CCCNC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588346653 1173046991 /nfs/dbraw/zinc/04/69/91/1173046991.db2.gz FLCYDNULCQILSI-LLVKDONJSA-N -1 3 298.350 1.592 20 30 CDEDHM C#CCCNC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588346653 1173046997 /nfs/dbraw/zinc/04/69/97/1173046997.db2.gz FLCYDNULCQILSI-LLVKDONJSA-N -1 3 298.350 1.592 20 30 CDEDHM C#CCCNC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001588347414 1173048069 /nfs/dbraw/zinc/04/80/69/1173048069.db2.gz TZALTEVXLVIONW-UHFFFAOYSA-N -1 3 298.350 1.074 20 30 CDEDHM C#CCCNC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001588347414 1173048074 /nfs/dbraw/zinc/04/80/74/1173048074.db2.gz TZALTEVXLVIONW-UHFFFAOYSA-N -1 3 298.350 1.074 20 30 CDEDHM C#CCCOC(=O)Oc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588347769 1173048326 /nfs/dbraw/zinc/04/83/26/1173048326.db2.gz WZEMLBCVCLQYJT-UHFFFAOYSA-N -1 3 276.227 1.545 20 30 CDEDHM C#CCCOC(=O)Oc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588347769 1173048329 /nfs/dbraw/zinc/04/83/29/1173048329.db2.gz WZEMLBCVCLQYJT-UHFFFAOYSA-N -1 3 276.227 1.545 20 30 CDEDHM C#CCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001588352195 1173050325 /nfs/dbraw/zinc/05/03/25/1173050325.db2.gz VHVHJFCYUBPSDE-UHFFFAOYSA-N -1 3 257.272 1.608 20 30 CDEDHM C#CCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001588352195 1173050335 /nfs/dbraw/zinc/05/03/35/1173050335.db2.gz VHVHJFCYUBPSDE-UHFFFAOYSA-N -1 3 257.272 1.608 20 30 CDEDHM C#Cc1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001588374963 1173052694 /nfs/dbraw/zinc/05/26/94/1173052694.db2.gz YOFGPLAXDHJWRA-UHFFFAOYSA-N -1 3 276.303 1.855 20 30 CDEDHM C#Cc1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001588374963 1173052702 /nfs/dbraw/zinc/05/27/02/1173052702.db2.gz YOFGPLAXDHJWRA-UHFFFAOYSA-N -1 3 276.303 1.855 20 30 CDEDHM C#C[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC001588364347 1173054655 /nfs/dbraw/zinc/05/46/55/1173054655.db2.gz AYTLZNPECHYQIA-UMSPYCQHSA-N -1 3 298.350 1.127 20 30 CDEDHM C#C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC001588364347 1173054666 /nfs/dbraw/zinc/05/46/66/1173054666.db2.gz AYTLZNPECHYQIA-UMSPYCQHSA-N -1 3 298.350 1.127 20 30 CDEDHM C=CC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588527363 1173074402 /nfs/dbraw/zinc/07/44/02/1173074402.db2.gz IZJNZXZDIFVQCD-UHFFFAOYSA-N -1 3 299.338 1.692 20 30 CDEDHM C=CC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588527363 1173074410 /nfs/dbraw/zinc/07/44/10/1173074410.db2.gz IZJNZXZDIFVQCD-UHFFFAOYSA-N -1 3 299.338 1.692 20 30 CDEDHM C=CC[C@@H](CC)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588540789 1173077350 /nfs/dbraw/zinc/07/73/50/1173077350.db2.gz 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/nfs/dbraw/zinc/09/09/77/1173090977.db2.gz ANENYXVDRDPCJZ-UHFFFAOYSA-N -1 3 297.322 1.535 20 30 CDEDHM C=CCN(CCC#N)c1ccc(-c2nnn[n-]2)cn1 ZINC001588632474 1173094408 /nfs/dbraw/zinc/09/44/08/1173094408.db2.gz SIDABQKJUDEIOC-UHFFFAOYSA-N -1 3 255.285 1.168 20 30 CDEDHM C=CCN(CCC#N)c1ccc(-c2nn[n-]n2)cn1 ZINC001588632474 1173094415 /nfs/dbraw/zinc/09/44/15/1173094415.db2.gz SIDABQKJUDEIOC-UHFFFAOYSA-N -1 3 255.285 1.168 20 30 CDEDHM C=CCOC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588665349 1173098023 /nfs/dbraw/zinc/09/80/23/1173098023.db2.gz JOQVNPBEUCCFCA-SECBINFHSA-N -1 3 274.280 1.363 20 30 CDEDHM C=CCOC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588665349 1173098025 /nfs/dbraw/zinc/09/80/25/1173098025.db2.gz JOQVNPBEUCCFCA-SECBINFHSA-N -1 3 274.280 1.363 20 30 CDEDHM C[C@@H](C#N)OCCOC(=O)c1sccc1-c1nnn[n-]1 ZINC001588934091 1173114563 /nfs/dbraw/zinc/11/45/63/1173114563.db2.gz DKNNJIRNGXSOKE-ZETCQYMHSA-N -1 3 293.308 1.014 20 30 CDEDHM CC(C)(C#N)COC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001589036180 1173122975 /nfs/dbraw/zinc/12/29/75/1173122975.db2.gz WAIZJQWZQKZQHA-UHFFFAOYSA-N -1 3 289.270 1.712 20 30 CDEDHM CC(C)(C#N)COC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001589036180 1173122979 /nfs/dbraw/zinc/12/29/79/1173122979.db2.gz WAIZJQWZQKZQHA-UHFFFAOYSA-N -1 3 289.270 1.712 20 30 CDEDHM C[C@@H](CC#N)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001589786721 1173178723 /nfs/dbraw/zinc/17/87/23/1173178723.db2.gz BDMFWMYKYSIUQC-ZETCQYMHSA-N -1 3 274.259 1.038 20 30 CDEDHM C[C@@H](CC#N)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001589786721 1173178730 /nfs/dbraw/zinc/17/87/30/1173178730.db2.gz BDMFWMYKYSIUQC-ZETCQYMHSA-N -1 3 274.259 1.038 20 30 CDEDHM C[C@]1(C#N)CCN(c2ccc(-c3nn[n-]n3)cc2CO)C1 ZINC001590056599 1173242809 /nfs/dbraw/zinc/24/28/09/1173242809.db2.gz NHCXIGYRGCEHOD-CQSZACIVSA-N -1 3 284.323 1.099 20 30 CDEDHM C[C@H]1C[C@H](CO)CN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590193440 1173286770 /nfs/dbraw/zinc/28/67/70/1173286770.db2.gz PYLQADRSZIGWAA-QWRGUYRKSA-N -1 3 298.350 1.193 20 30 CDEDHM C[C@H]1C[C@H](CO)CN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590193440 1173286777 /nfs/dbraw/zinc/28/67/77/1173286777.db2.gz PYLQADRSZIGWAA-QWRGUYRKSA-N -1 3 298.350 1.193 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590371569 1173381332 /nfs/dbraw/zinc/38/13/32/1173381332.db2.gz DPMUZEPNYWWYHX-BMIGLBTASA-N -1 3 298.350 1.984 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590371569 1173381336 /nfs/dbraw/zinc/38/13/36/1173381336.db2.gz DPMUZEPNYWWYHX-BMIGLBTASA-N -1 3 298.350 1.984 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590419077 1173403784 /nfs/dbraw/zinc/40/37/84/1173403784.db2.gz CBGJKPHXQNQXEY-GUOLPTJISA-N -1 3 296.334 1.688 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590419077 1173403788 /nfs/dbraw/zinc/40/37/88/1173403788.db2.gz CBGJKPHXQNQXEY-GUOLPTJISA-N -1 3 296.334 1.688 20 30 CDEDHM CCN(C(=O)c1csc(-c2nnn[n-]2)c1)[C@H](C)C#N ZINC001590676492 1173486888 /nfs/dbraw/zinc/48/68/88/1173486888.db2.gz PNPAFVAIFNTIJD-SSDOTTSWSA-N -1 3 276.325 1.302 20 30 CDEDHM CCN(C[C@@H](C)C#N)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001590680781 1173490732 /nfs/dbraw/zinc/49/07/32/1173490732.db2.gz KHWRQAOJHXILEG-VIFPVBQESA-N -1 3 271.328 1.556 20 30 CDEDHM CCN(C[C@@H](C)C#N)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001590680781 1173490733 /nfs/dbraw/zinc/49/07/33/1173490733.db2.gz KHWRQAOJHXILEG-VIFPVBQESA-N -1 3 271.328 1.556 20 30 CDEDHM CCN(CCC#N)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001590691955 1173493688 /nfs/dbraw/zinc/49/36/88/1173493688.db2.gz SIYVOCIVAVBJOB-UHFFFAOYSA-N -1 3 257.301 1.310 20 30 CDEDHM CCN(CCC#N)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001590691955 1173493691 /nfs/dbraw/zinc/49/36/91/1173493691.db2.gz SIYVOCIVAVBJOB-UHFFFAOYSA-N -1 3 257.301 1.310 20 30 CDEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@@H](C)C1=O ZINC001591745807 1173694069 /nfs/dbraw/zinc/69/40/69/1173694069.db2.gz IPPMWWYEVGQFAU-NXEZZACHSA-N -1 3 296.334 1.400 20 30 CDEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@@H](C)C1=O ZINC001591745807 1173694075 /nfs/dbraw/zinc/69/40/75/1173694075.db2.gz IPPMWWYEVGQFAU-NXEZZACHSA-N -1 3 296.334 1.400 20 30 CDEDHM Cc1c(C(=O)NC2(C#N)CCCC2)cccc1-c1nnn[n-]1 ZINC001591805793 1173706641 /nfs/dbraw/zinc/70/66/41/1173706641.db2.gz HUEJPJCKGSRVBU-UHFFFAOYSA-N -1 3 296.334 1.741 20 30 CDEDHM Cc1c(C(=O)NC2(C#N)CCCC2)cccc1-c1nn[n-]n1 ZINC001591805793 1173706644 /nfs/dbraw/zinc/70/66/44/1173706644.db2.gz HUEJPJCKGSRVBU-UHFFFAOYSA-N -1 3 296.334 1.741 20 30 CDEDHM Cc1c(C(=O)OC(C)(C)C#N)cccc1-c1nnn[n-]1 ZINC001591812186 1173709071 /nfs/dbraw/zinc/70/90/71/1173709071.db2.gz AFHDPWLZUUZEGT-UHFFFAOYSA-N -1 3 271.280 1.634 20 30 CDEDHM Cc1c(C(=O)OC(C)(C)C#N)cccc1-c1nn[n-]n1 ZINC001591812186 1173709075 /nfs/dbraw/zinc/70/90/75/1173709075.db2.gz AFHDPWLZUUZEGT-UHFFFAOYSA-N -1 3 271.280 1.634 20 30 CDEDHM Cc1cc(C#N)cc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001591906417 1173745177 /nfs/dbraw/zinc/74/51/77/1173745177.db2.gz HXEZDJFYVRTAEI-UHFFFAOYSA-N -1 3 293.290 1.627 20 30 CDEDHM Cc1cc(C#N)cc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001591906417 1173745185 /nfs/dbraw/zinc/74/51/85/1173745185.db2.gz HXEZDJFYVRTAEI-UHFFFAOYSA-N -1 3 293.290 1.627 20 30 CDEDHM Cc1ccc(C)c(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)c1 ZINC001592140348 1173812793 /nfs/dbraw/zinc/81/27/93/1173812793.db2.gz FHRNHMIYVROFHN-UHFFFAOYSA-N -1 3 294.322 1.182 20 30 CDEDHM Cc1ccc(C)c(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)c1 ZINC001592140348 1173812796 /nfs/dbraw/zinc/81/27/96/1173812796.db2.gz FHRNHMIYVROFHN-UHFFFAOYSA-N -1 3 294.322 1.182 20 30 CDEDHM N#CC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001592669116 1173960288 /nfs/dbraw/zinc/96/02/88/1173960288.db2.gz FTKQDGKGWDORSP-UHFFFAOYSA-N -1 3 285.267 1.491 20 30 CDEDHM N#CC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001592669116 1173960294 /nfs/dbraw/zinc/96/02/94/1173960294.db2.gz FTKQDGKGWDORSP-UHFFFAOYSA-N -1 3 285.267 1.491 20 30 CDEDHM N#C[C@H](Sc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001592669534 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1173975581 /nfs/dbraw/zinc/97/55/81/1173975581.db2.gz COBXDPFCCSTHFS-UHFFFAOYSA-N -1 3 294.322 1.437 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCn1ccnc1 ZINC001592699518 1173975587 /nfs/dbraw/zinc/97/55/87/1173975587.db2.gz COBXDPFCCSTHFS-UHFFFAOYSA-N -1 3 294.322 1.437 20 30 CDEDHM C#CCCOC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602712738 1175372476 /nfs/dbraw/zinc/37/24/76/1175372476.db2.gz RLTKNMXBLSJRKL-SNVBAGLBSA-N -1 3 285.307 1.677 20 30 CDEDHM C#CCCOC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602712738 1175372484 /nfs/dbraw/zinc/37/24/84/1175372484.db2.gz RLTKNMXBLSJRKL-SNVBAGLBSA-N -1 3 285.307 1.677 20 30 CDEDHM C=C(C)C[C@H](CO)Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001602754009 1175386800 /nfs/dbraw/zinc/38/68/00/1175386800.db2.gz WYKLVUMJQBPJQN-SNVBAGLBSA-N -1 3 277.303 1.745 20 30 CDEDHM C=C(C)C[C@H](CO)Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001602754009 1175386804 /nfs/dbraw/zinc/38/68/04/1175386804.db2.gz WYKLVUMJQBPJQN-SNVBAGLBSA-N -1 3 277.303 1.745 20 30 CDEDHM C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCCCC)C(=O)[O-] ZINC001602788942 1175402177 /nfs/dbraw/zinc/40/21/77/1175402177.db2.gz RFYZHPNCPJYDBJ-UWVGGRQHSA-N -1 3 276.764 1.606 20 30 CDEDHM C=CC1(OC(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001602802921 1175405402 /nfs/dbraw/zinc/40/54/02/1175405402.db2.gz DGLAHNILKAXZGU-UHFFFAOYSA-N -1 3 286.291 1.507 20 30 CDEDHM C=CC1(OC(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001602802921 1175405411 /nfs/dbraw/zinc/40/54/11/1175405411.db2.gz DGLAHNILKAXZGU-UHFFFAOYSA-N -1 3 286.291 1.507 20 30 CDEDHM C=CC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602810967 1175412734 /nfs/dbraw/zinc/41/27/34/1175412734.db2.gz BOIBFVFUAKGWGE-QMMMGPOBSA-N -1 3 273.296 1.692 20 30 CDEDHM C=CC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602810967 1175412737 /nfs/dbraw/zinc/41/27/37/1175412737.db2.gz BOIBFVFUAKGWGE-QMMMGPOBSA-N -1 3 273.296 1.692 20 30 CDEDHM C=CC[C@H](CC)Nc1ccc(-c2nn[n-]n2)c(N)n1 ZINC001602811431 1175413155 /nfs/dbraw/zinc/41/31/55/1175413155.db2.gz MELQHMZVUJSLES-QMMMGPOBSA-N 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CDEDHM Cc1nnc(CC(=O)Nc2ccc([O-])c(C#N)c2)o1 ZINC001141999206 936962230 /nfs/dbraw/zinc/96/22/30/936962230.db2.gz ZVCIJZQRZGGAQK-UHFFFAOYSA-N -1 3 258.237 1.137 20 30 CDEDHM CCc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)ccc1C#N ZINC001197293602 925117363 /nfs/dbraw/zinc/11/73/63/925117363.db2.gz IJQACNQNORXILA-UHFFFAOYSA-N -1 3 298.346 1.830 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000781195055 937215251 /nfs/dbraw/zinc/21/52/51/937215251.db2.gz RPPZGCBVQCEDQI-SECBINFHSA-N -1 3 265.265 1.868 20 30 CDEDHM CCCC[C@@H](C(=O)N[C@H]1CCCN([O-])C1=O)C(C)C ZINC000857721120 928740981 /nfs/dbraw/zinc/74/09/81/928740981.db2.gz DNUKVQAELPNEDL-NEPJUHHUSA-N -1 3 270.373 1.945 20 30 CDEDHM C=CCC[C@H](C)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001112782433 929422457 /nfs/dbraw/zinc/42/24/57/929422457.db2.gz TUJRDEUEPUASQR-ZDUSSCGKSA-N -1 3 289.379 1.900 20 30 CDEDHM N=C(c1ccccc1N)N([O-])C(=O)c1c[nH]c2nccnc12 ZINC001153198629 937428056 /nfs/dbraw/zinc/42/80/56/937428056.db2.gz ISQQAXQRGLKFEE-UHFFFAOYSA-N -1 3 296.290 1.349 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c(F)cc(F)cc1F ZINC000820471063 930923051 /nfs/dbraw/zinc/92/30/51/930923051.db2.gz MBCMRMPPYNQEBP-SECBINFHSA-N -1 3 288.225 1.214 20 30 CDEDHM N#CCCN(CCC#N)C(=O)c1cnc2cccnc2c1[O-] ZINC001153856038 937477674 /nfs/dbraw/zinc/47/76/74/937477674.db2.gz PGIKMPZTNOZJDZ-UHFFFAOYSA-N -1 3 295.302 1.193 20 30 CDEDHM CC(C)(S)CNC(=O)c1cnc2cccnc2c1[O-] ZINC001153862291 937478837 /nfs/dbraw/zinc/47/88/37/937478837.db2.gz SPOPXQZFJVARGD-UHFFFAOYSA-N -1 3 277.349 1.361 20 30 CDEDHM C=CCN1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001144625646 931923068 /nfs/dbraw/zinc/92/30/68/931923068.db2.gz IVMDCRUOMOYNAH-UHFFFAOYSA-N -1 3 278.327 1.404 20 30 CDEDHM COc1cc(C(=O)[N-]c2cccc(OC)c2C#N)on1 ZINC001146936631 932357894 /nfs/dbraw/zinc/35/78/94/932357894.db2.gz CUTQPQWQPPTUGD-UHFFFAOYSA-N -1 3 273.248 1.816 20 30 CDEDHM C=CCCn1cc(CNC[C@H](C)CCC(=O)[O-])nn1 ZINC001118437854 937627695 /nfs/dbraw/zinc/62/76/95/937627695.db2.gz XRWIMLXKNNVYRQ-LLVKDONJSA-N -1 3 266.345 1.445 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)cc2nc[nH]c21 ZINC001171364049 932866881 /nfs/dbraw/zinc/86/68/81/932866881.db2.gz UYULLYXUOFNRKL-XNCJUZBTSA-N -1 3 281.703 1.259 20 30 CDEDHM CC(=O)Nc1cc(C)c(C)cc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171366327 932882804 /nfs/dbraw/zinc/88/28/04/932882804.db2.gz WAILYSKQUMPXKM-HZMBPMFUSA-N -1 3 291.351 1.910 20 30 CDEDHM Cc1cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)ccc1N(C)C ZINC001171368226 932883426 /nfs/dbraw/zinc/88/34/26/932883426.db2.gz BGOXIUNTWQUUHT-GWCFXTLKSA-N -1 3 263.341 1.709 20 30 CDEDHM CSC[C@H](NCc1ccc(C#N)cc1F)C(=O)[O-] ZINC001119549893 937731570 /nfs/dbraw/zinc/73/15/70/937731570.db2.gz MVTPUWBBIDAQRQ-NSHDSACASA-N -1 3 268.313 1.603 20 30 CDEDHM CC#CC[C@H](NCc1ccc(Cl)cn1)C(=O)[O-] ZINC001119616011 937739527 /nfs/dbraw/zinc/73/95/27/937739527.db2.gz ZRZMORMFGHKEFP-NSHDSACASA-N -1 3 252.701 1.691 20 30 CDEDHM N#C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000093135276 934906841 /nfs/dbraw/zinc/90/68/41/934906841.db2.gz LRKJPFPSYHZZGM-LLVKDONJSA-N -1 3 252.701 1.770 20 30 CDEDHM C#CC1([N-]S(=O)(=O)c2c(C)noc2C)CCCCC1 ZINC001258805219 945420292 /nfs/dbraw/zinc/42/02/92/945420292.db2.gz ODBZKOBLIQWGHH-UHFFFAOYSA-N -1 3 282.365 1.906 20 30 CDEDHM C=CCC(F)(F)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001123894728 936240620 /nfs/dbraw/zinc/24/06/20/936240620.db2.gz LBELFPCUULCWDP-UHFFFAOYSA-N -1 3 285.298 1.192 20 30 CDEDHM C=CCC(F)(F)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001123894728 936240623 /nfs/dbraw/zinc/24/06/23/936240623.db2.gz LBELFPCUULCWDP-UHFFFAOYSA-N -1 3 285.298 1.192 20 30 CDEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccc2nncn21 ZINC001156066236 938316807 /nfs/dbraw/zinc/31/68/07/938316807.db2.gz GOENWKHAJFSREE-UHFFFAOYSA-N -1 3 296.290 1.168 20 30 CDEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](C)CCO)n1 ZINC001156449918 938368681 /nfs/dbraw/zinc/36/86/81/938368681.db2.gz OAPQMKWQFHKAIV-XDZJJNIASA-N -1 3 290.776 1.843 20 30 CDEDHM C=CCCC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001157234862 938468290 /nfs/dbraw/zinc/46/82/90/938468290.db2.gz SJGXCUNZFIWVMH-LURJTMIESA-N -1 3 262.235 1.967 20 30 CDEDHM C=CCO[N-]C(=O)Cc1ccc(Br)cc1O ZINC001158208938 938596371 /nfs/dbraw/zinc/59/63/71/938596371.db2.gz XTDDZBWSPMLACB-UHFFFAOYSA-N -1 3 286.125 1.931 20 30 CDEDHM CCc1cc(Cl)nc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1 ZINC001160179381 938774222 /nfs/dbraw/zinc/77/42/22/938774222.db2.gz ZLIJAAWTEBIMLN-RCOVLWMOSA-N -1 3 270.720 1.340 20 30 CDEDHM Cc1c[nH]cc(C(=O)N([O-])Cc2ccc(F)cc2)c1=O ZINC001161842494 938935007 /nfs/dbraw/zinc/93/50/07/938935007.db2.gz GQZNYXZQRUOIPX-UHFFFAOYSA-N -1 3 276.267 1.854 20 30 CDEDHM COc1cc(C#N)ccc1Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001209259765 940453435 /nfs/dbraw/zinc/45/34/35/940453435.db2.gz GOYHDGNHSMESBR-UHFFFAOYSA-N -1 3 273.252 1.094 20 30 CDEDHM CC[C@H](CC#N)NS(=O)(=O)c1ccc([O-])cc1 ZINC000425177098 941858537 /nfs/dbraw/zinc/85/85/37/941858537.db2.gz OOCOAISEEOSYSK-SECBINFHSA-N -1 3 254.311 1.363 20 30 CDEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCn3ccnc32)[n-]1 ZINC001225466317 941863759 /nfs/dbraw/zinc/86/37/59/941863759.db2.gz BSRPYYVKTQSSDS-LLVKDONJSA-N -1 3 256.265 1.688 20 30 CDEDHM C#C[C@H](Oc1[n-]c(=O)nc2cnccc21)c1ccncc1 ZINC001226976334 942106172 /nfs/dbraw/zinc/10/61/72/942106172.db2.gz LEZITLPMYPSLGC-ZDUSSCGKSA-N -1 3 278.271 1.466 20 30 CDEDHM N#CC(=C([O-])c1ccc2n[nH]c(=O)n2c1)c1cccc(F)n1 ZINC001524711611 970884299 /nfs/dbraw/zinc/88/42/99/970884299.db2.gz GUKHKCHEFLEVRL-VIFPVBQESA-N -1 3 297.249 1.459 20 30 CDEDHM COC(CN(C)Cc1cc(C#N)ccc1[O-])OC ZINC001232678764 943358189 /nfs/dbraw/zinc/35/81/89/943358189.db2.gz PCCXGKVQCNUZRL-UHFFFAOYSA-N -1 3 250.298 1.315 20 30 CDEDHM COC(=O)N1CCCN(Cc2ccc(C#N)cc2[O-])CC1 ZINC001233383266 943569569 /nfs/dbraw/zinc/56/95/69/943569569.db2.gz CATQZDCYFSDHFH-UHFFFAOYSA-N -1 3 289.335 1.538 20 30 CDEDHM COC(=O)[C@@]1(F)CCN(Cc2ccc(C#N)cc2[O-])C1 ZINC001233383672 943570248 /nfs/dbraw/zinc/57/02/48/943570248.db2.gz QLSZNHBUNVEORT-CQSZACIVSA-N -1 3 278.283 1.351 20 30 CDEDHM CN(Cc1cnn(C)c1)Cc1ccc(C#N)cc1[O-] ZINC001233383252 943570518 /nfs/dbraw/zinc/57/05/18/943570518.db2.gz BUKHRVRGXQXCBL-UHFFFAOYSA-N -1 3 256.309 1.629 20 30 CDEDHM C=C(C)CN(CC)c1nnc(-c2cnc[n-]c2=O)n1C ZINC001262898710 943709247 /nfs/dbraw/zinc/70/92/47/943709247.db2.gz UKCZELBSBLDPTI-UHFFFAOYSA-N -1 3 274.328 1.380 20 30 CDEDHM COc1cc(C#N)nc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241441767 946285561 /nfs/dbraw/zinc/28/55/61/946285561.db2.gz WXMNKZFCOOFFFP-UHFFFAOYSA-N -1 3 278.275 1.809 20 30 CDEDHM COc1cc(C#N)nc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241441767 946285569 /nfs/dbraw/zinc/28/55/69/946285569.db2.gz WXMNKZFCOOFFFP-UHFFFAOYSA-N -1 3 278.275 1.809 20 30 CDEDHM N#Cc1ncccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001242311730 946663837 /nfs/dbraw/zinc/66/38/37/946663837.db2.gz FMBCXGNJMXYDBU-UHFFFAOYSA-N -1 3 262.276 1.724 20 30 CDEDHM N#Cc1ncccc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001242311730 946663843 /nfs/dbraw/zinc/66/38/43/946663843.db2.gz FMBCXGNJMXYDBU-UHFFFAOYSA-N -1 3 262.276 1.724 20 30 CDEDHM C#Cc1cccc(CNc2nnccc2-c2nnn[n-]2)c1 ZINC001573289828 946894887 /nfs/dbraw/zinc/89/48/87/946894887.db2.gz DTTHDYBZEZRJLJ-UHFFFAOYSA-N -1 3 277.291 1.250 20 30 CDEDHM C#Cc1cccc(CNc2nnccc2-c2nn[n-]n2)c1 ZINC001573289828 946894897 /nfs/dbraw/zinc/89/48/97/946894897.db2.gz DTTHDYBZEZRJLJ-UHFFFAOYSA-N -1 3 277.291 1.250 20 30 CDEDHM N#C[C@H]1CC=C(c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001243797391 947210202 /nfs/dbraw/zinc/21/02/02/947210202.db2.gz JIURANARNQDMMS-VIFPVBQESA-N -1 3 252.281 1.969 20 30 CDEDHM N#C[C@H]1CC=C(c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001243797391 947210216 /nfs/dbraw/zinc/21/02/16/947210216.db2.gz JIURANARNQDMMS-VIFPVBQESA-N -1 3 252.281 1.969 20 30 CDEDHM CCc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1CC ZINC001327640698 954974951 /nfs/dbraw/zinc/97/49/51/954974951.db2.gz XUONZGMYFLJHAD-AWEZNQCLSA-N -1 3 290.363 1.921 20 30 CDEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CSCC#N)n1 ZINC001329821148 956127984 /nfs/dbraw/zinc/12/79/84/956127984.db2.gz VRLXSQPYQSSAHO-UHFFFAOYSA-N -1 3 280.353 1.099 20 30 CDEDHM Cc1n[nH]nc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306898565 956345909 /nfs/dbraw/zinc/34/59/09/956345909.db2.gz IUZPYJFRRXWZGO-UHFFFAOYSA-N -1 3 250.233 1.284 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1CC[C@@H](CCC(=O)OC)O1 ZINC001306897599 956346872 /nfs/dbraw/zinc/34/68/72/956346872.db2.gz UOXWOWNOJSAQNV-WDEREUQCSA-N -1 3 273.329 1.505 20 30 CDEDHM N#Cc1cccnc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001307209603 956378594 /nfs/dbraw/zinc/37/85/94/956378594.db2.gz GZEKXNSIDBCHSI-UHFFFAOYSA-N -1 3 267.292 1.938 20 30 CDEDHM C=C(Cl)CNCc1cc(=O)[n-]c(CNC(=O)C(C)C)n1 ZINC001365861598 956410743 /nfs/dbraw/zinc/41/07/43/956410743.db2.gz KVUPKPWHJMCUQA-UHFFFAOYSA-N -1 3 298.774 1.297 20 30 CDEDHM C=CC[C@H]([N-]S(=O)(=O)CC1(C)CCC1)C(=O)OCC ZINC001330807256 956641640 /nfs/dbraw/zinc/64/16/40/956641640.db2.gz YOJJKNLJDVHWIL-NSHDSACASA-N -1 3 289.397 1.604 20 30 CDEDHM CC#CC[C@H](NCc1cc(OC)ccc1OC)C(=O)[O-] ZINC001332032970 957408808 /nfs/dbraw/zinc/40/88/08/957408808.db2.gz RPSADWLOIZWXNG-ZDUSSCGKSA-N -1 3 277.320 1.660 20 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FHJXTVZUXLWUAQ-NWDGAFQWSA-N -1 3 296.754 1.268 20 30 CDEDHM C#CCOCCN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001588491931 983538169 /nfs/dbraw/zinc/53/81/69/983538169.db2.gz ZSLHHAGYDPHBCT-CQSZACIVSA-N -1 3 262.309 1.011 20 30 CDEDHM C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001588637360 983759971 /nfs/dbraw/zinc/75/99/71/983759971.db2.gz MLBLWQDWARUASK-XWLWVQCSSA-N -1 3 286.759 1.168 20 30 CDEDHM C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001588637598 983760802 /nfs/dbraw/zinc/76/08/02/983760802.db2.gz RGWVTLNYNKCFEZ-QMMMGPOBSA-N -1 3 288.756 1.532 20 30 CDEDHM C=CCOC[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)C(=O)[O-] ZINC001588851069 984382718 /nfs/dbraw/zinc/38/27/18/984382718.db2.gz SOZCESOKPFNJPP-CYDGBPFRSA-N -1 3 298.383 1.020 20 30 CDEDHM C[C@@H](C#N)OCCN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589331679 986189768 /nfs/dbraw/zinc/18/97/68/986189768.db2.gz LQZVLMVCANKZJO-VHSXEESVSA-N -1 3 295.364 1.559 20 30 CDEDHM C[C@H]1CN(C)CC1N=Nc1ccc(C(=O)[O-])c(F)c1 ZINC001604786528 1163321431 /nfs/dbraw/zinc/32/14/31/1163321431.db2.gz NFTMTMDWRCJFPO-QMMMGPOBSA-N -1 3 265.288 1.873 20 30 CDEDHM C[C@H](c1cccc(C#N)c1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001593698608 996166180 /nfs/dbraw/zinc/16/61/80/996166180.db2.gz LWVSTXQGZLKNCI-IAQYHMDHSA-N -1 3 288.347 1.777 20 30 CDEDHM CO[C@@]1(C(=O)[O-])CCN(CCOc2ccccc2C#N)C1 ZINC001599078063 996924553 /nfs/dbraw/zinc/92/45/53/996924553.db2.gz OBMDEGAGDTVQFM-HNNXBMFYSA-N -1 3 290.319 1.113 20 30 CDEDHM Cn1cc[nH+]c1[N-]N=Cc1ccc(-c2nnn[n-]2)s1 ZINC001592585743 1173925306 /nfs/dbraw/zinc/92/53/06/1173925306.db2.gz SDRSIDMLDVKNSH-UHFFFAOYSA-N -1 3 274.313 1.108 20 30 CDEDHM N#C[C@H](Cc1ccccc1)Sc1n[n-]c(CO)n1 ZINC000618149109 342529026 /nfs/dbraw/zinc/52/90/26/342529026.db2.gz YGBKZGGEUWKGEC-JTQLQIEISA-N -1 3 260.322 1.524 20 30 CDEDHM C#CCN(CC)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000139163035 342057661 /nfs/dbraw/zinc/05/76/61/342057661.db2.gz YTPDIIHGBZOXTH-UHFFFAOYSA-N -1 3 271.276 1.057 20 30 CDEDHM COCCn1ccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000439651091 361823831 /nfs/dbraw/zinc/82/38/31/361823831.db2.gz UZWUOTVJCQSTKA-LLVKDONJSA-N -1 3 270.292 1.415 20 30 CDEDHM CC(C)c1nc(S(=O)(=O)[N-]CC(C)(C)CC#N)c[nH]1 ZINC000591330233 342626281 /nfs/dbraw/zinc/62/62/81/342626281.db2.gz TUKIJPWDHSVACQ-UHFFFAOYSA-N -1 3 284.385 1.751 20 30 CDEDHM COc1ccc(F)cc1S(=O)(=O)[N-]CC(C)(C)C#N ZINC000592042262 342663027 /nfs/dbraw/zinc/66/30/27/342663027.db2.gz AXZKTNLPVSBWML-UHFFFAOYSA-N -1 3 286.328 1.662 20 30 CDEDHM CC[C@@H](C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000593394050 342794572 /nfs/dbraw/zinc/79/45/72/342794572.db2.gz JOWNCXULLOBVMV-QMMMGPOBSA-N -1 3 256.269 1.355 20 30 CDEDHM CC[C@@H](C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000593394050 342794573 /nfs/dbraw/zinc/79/45/73/342794573.db2.gz JOWNCXULLOBVMV-QMMMGPOBSA-N -1 3 256.269 1.355 20 30 CDEDHM CCc1[nH]nc(C(=O)[N-]c2n[nH]c(C)c2C#N)c1[N+](=O)[O-] ZINC000588715602 342219946 /nfs/dbraw/zinc/21/99/46/342219946.db2.gz UDPQXWJQAXDJSA-UHFFFAOYSA-N -1 3 289.255 1.036 20 30 CDEDHM CC[C@@H](C#N)[N-]S(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000594723346 342948967 /nfs/dbraw/zinc/94/89/67/342948967.db2.gz MLBNXCHDFMIECQ-RYUDHWBXSA-N -1 3 274.386 1.413 20 30 CDEDHM C=CCCSCC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000594814637 342960130 /nfs/dbraw/zinc/96/01/30/342960130.db2.gz CZCZQRKFALMSMS-UHFFFAOYSA-N -1 3 289.426 1.316 20 30 CDEDHM CN(CCCC1(C#N)CCOCC1)Cc1n[n-]c(=O)o1 ZINC000595547021 343084306 /nfs/dbraw/zinc/08/43/06/343084306.db2.gz LCQUVDFOWJDQFS-UHFFFAOYSA-N -1 3 280.328 1.308 20 30 CDEDHM CCN(CCC#N)[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000081039426 342363359 /nfs/dbraw/zinc/36/33/59/342363359.db2.gz FEWKTDORKVVPLT-JTQLQIEISA-N -1 3 250.302 1.546 20 30 CDEDHM N#Cc1[n-]c(=NC[C@H]2CC[C@@H](O)C2)sc1Cl ZINC000596208412 343266728 /nfs/dbraw/zinc/26/67/28/343266728.db2.gz YMFWTPWUCCZMTM-NKWVEPMBSA-N -1 3 257.746 1.663 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000597507337 343552615 /nfs/dbraw/zinc/55/26/15/343552615.db2.gz IUCGAHOAHNVCJG-VIFPVBQESA-N -1 3 258.281 1.691 20 30 CDEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(=O)[n-]cn2)C1 ZINC000599527265 344075830 /nfs/dbraw/zinc/07/58/30/344075830.db2.gz JERXCYMXZLCCLO-NOZJJQNGSA-N -1 3 260.297 1.384 20 30 CDEDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C1(C#N)CCCCC1)C2 ZINC000602197869 344372693 /nfs/dbraw/zinc/37/26/93/344372693.db2.gz XWEXHIYRRLLJEV-UHFFFAOYSA-N -1 3 286.335 1.807 20 30 CDEDHM Cc1ncc(CO)c(/C=N/C[C@H]2CCCO2)c1[O-] ZINC000005110513 344941444 /nfs/dbraw/zinc/94/14/44/344941444.db2.gz QJWHRLSMMZMPBT-LLUUXILJSA-N -1 3 250.298 1.186 20 30 CDEDHM CCCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000150995621 345231211 /nfs/dbraw/zinc/23/12/11/345231211.db2.gz ZHOWZGPZWXKRBU-UHFFFAOYSA-N -1 3 256.302 1.776 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nccs2)c(F)c1 ZINC000151074189 345294175 /nfs/dbraw/zinc/29/41/75/345294175.db2.gz BKKOVLMRVZVRQA-UHFFFAOYSA-N -1 3 297.336 1.632 20 30 CDEDHM CC#CCN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000085785387 179170872 /nfs/dbraw/zinc/17/08/72/179170872.db2.gz ZWXFFWZIAFSKIG-UHFFFAOYSA-N -1 3 258.321 1.173 20 30 CDEDHM C#CCN(CC#N)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000491505608 347583704 /nfs/dbraw/zinc/58/37/04/347583704.db2.gz MGCDGVIKIBUFOA-UHFFFAOYSA-N -1 3 279.299 1.436 20 30 CDEDHM CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000614369678 348092316 /nfs/dbraw/zinc/09/23/16/348092316.db2.gz LOHBFJCDOZDRJF-HNNXBMFYSA-N -1 3 287.363 1.676 20 30 CDEDHM COc1cccc(C(=O)N2CC[C@](F)(C#N)C2)c1[O-] ZINC000615664632 348630053 /nfs/dbraw/zinc/63/00/53/348630053.db2.gz OFOQAUZVXVZAFY-ZDUSSCGKSA-N -1 3 264.256 1.479 20 30 CDEDHM N#C[C@]1(F)CCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000615825537 348813599 /nfs/dbraw/zinc/81/35/99/348813599.db2.gz LNUFCMXONJXAOF-GFCCVEGCSA-N -1 3 259.244 1.036 20 30 CDEDHM C=CCC[C@@H](CO)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000616100380 349291498 /nfs/dbraw/zinc/29/14/98/349291498.db2.gz IFJNAMLSPQKIOT-JTQLQIEISA-N -1 3 275.308 1.325 20 30 CDEDHM Cc1nc(C#N)c(N2[N-]C(=O)[C@@](C)(C(C)C)CC2=O)o1 ZINC000601941555 350034359 /nfs/dbraw/zinc/03/43/59/350034359.db2.gz WSQHAAISWROHRV-CYBMUJFWSA-N -1 3 276.296 1.285 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]1C ZINC000604397745 350356447 /nfs/dbraw/zinc/35/64/47/350356447.db2.gz GULWFCUZWNKICU-SECBINFHSA-N -1 3 273.336 1.829 20 30 CDEDHM N#CC(=C([O-])c1cnc2n1CCCCC2)c1ccncn1 ZINC000621715685 350743219 /nfs/dbraw/zinc/74/32/19/350743219.db2.gz CWQMQVNDFMLVOW-NSHDSACASA-N -1 3 281.319 1.890 20 30 CDEDHM CCc1cccc(C(=O)N(CCC#N)CCOC)c1[O-] ZINC000094106540 351350793 /nfs/dbraw/zinc/35/07/93/351350793.db2.gz AIDMDUBLVBELMU-UHFFFAOYSA-N -1 3 276.336 1.957 20 30 CDEDHM C=CCCS(=O)(=O)[N-]c1cccc2c1CCNC2=O ZINC000414392056 363131771 /nfs/dbraw/zinc/13/17/71/363131771.db2.gz CQIZNJVOUBIPLG-UHFFFAOYSA-N -1 3 280.349 1.290 20 30 CDEDHM CC1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCC1 ZINC000167425981 363220767 /nfs/dbraw/zinc/22/07/67/363220767.db2.gz BZSKDRAGMOOEGA-UHFFFAOYSA-N -1 3 295.320 1.687 20 30 CDEDHM Cn1ncc(C(=O)[N-]c2sccc2C#N)c1C#N ZINC000361444343 358201712 /nfs/dbraw/zinc/20/17/12/358201712.db2.gz MRRXAOKXMLFNOX-UHFFFAOYSA-N -1 3 257.278 1.477 20 30 CDEDHM C=CCCn1cc(C(=O)[N-]c2nnc(CC)s2)nn1 ZINC000424714035 360346100 /nfs/dbraw/zinc/34/61/00/360346100.db2.gz FOPOJMRHAIGEES-UHFFFAOYSA-N -1 3 278.341 1.520 20 30 CDEDHM C[C@@H](CC#N)N(C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429660981 360865881 /nfs/dbraw/zinc/86/58/81/360865881.db2.gz OUBKOFZPUBCWJF-ZETCQYMHSA-N -1 3 287.270 1.209 20 30 CDEDHM C=C[C@H](CO)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000349776275 360942543 /nfs/dbraw/zinc/94/25/43/360942543.db2.gz LSVHERCSCJSTGK-MRVPVSSYSA-N -1 3 279.720 1.304 20 30 CDEDHM N#Cc1cnccc1[N-]C(=O)c1ncoc1C1CC1 ZINC000340461935 360926176 /nfs/dbraw/zinc/92/61/76/360926176.db2.gz ACNKKVQGLNKRCE-UHFFFAOYSA-N -1 3 254.249 1.493 20 30 CDEDHM C=CC[C@H](CO)CNC(=O)c1ccc(CC)cc1[O-] ZINC000436841167 361590014 /nfs/dbraw/zinc/59/00/14/361590014.db2.gz SJZNCAISKCBZTO-LBPRGKRZSA-N -1 3 263.337 1.869 20 30 CDEDHM Cc1cccc(F)c1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000186479573 364589827 /nfs/dbraw/zinc/58/98/27/364589827.db2.gz VPSXUQDNKPASFK-UHFFFAOYSA-N -1 3 254.286 1.469 20 30 CDEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000375161188 370793848 /nfs/dbraw/zinc/79/38/48/370793848.db2.gz QYKKQFAIIZRUKG-JTQLQIEISA-N -1 3 282.369 1.190 20 30 CDEDHM CC#CCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000353939530 365389030 /nfs/dbraw/zinc/38/90/30/365389030.db2.gz OILMUADWMPDFFH-UHFFFAOYSA-N -1 3 254.289 1.671 20 30 CDEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1cncc([O-])c1 ZINC000566805640 370818907 /nfs/dbraw/zinc/81/89/07/370818907.db2.gz JYQREWFMWKFGKP-IUODEOHRSA-N -1 3 276.336 1.427 20 30 CDEDHM CC[C@H](CC#N)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000358069498 367405677 /nfs/dbraw/zinc/40/56/77/367405677.db2.gz SYUNGANVLMEATH-LLVKDONJSA-N -1 3 295.364 1.480 20 30 CDEDHM CC#CC[C@H](CO)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000645309068 369510380 /nfs/dbraw/zinc/51/03/80/369510380.db2.gz GNLZGOUVQAGBPK-LLVKDONJSA-N 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ANKNHFLNQAMCAT-JTQLQIEISA-N -1 3 269.308 1.918 20 30 CDEDHM N#Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000074803919 374148315 /nfs/dbraw/zinc/14/83/15/374148315.db2.gz HROQDOGWLVTDOS-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM N#Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000074803919 374148320 /nfs/dbraw/zinc/14/83/20/374148320.db2.gz HROQDOGWLVTDOS-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM COc1cc(C([O-])=C(C#N)c2ccccn2)nn1C ZINC000336807017 374679500 /nfs/dbraw/zinc/67/95/00/374679500.db2.gz FBLLBFKDSHRSNA-SECBINFHSA-N -1 3 256.265 1.314 20 30 CDEDHM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)CCOC ZINC000125287315 374988003 /nfs/dbraw/zinc/98/80/03/374988003.db2.gz NKMLWKAKALDTTF-UHFFFAOYSA-N -1 3 283.353 1.378 20 30 CDEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCF ZINC000280705365 375016113 /nfs/dbraw/zinc/01/61/13/375016113.db2.gz HEGUVXRAQBYVNR-UHFFFAOYSA-N -1 3 296.245 1.825 20 30 CDEDHM N#Cc1nc(NC(=O)C2CN(C3CCCCC3)C2)[n-]c1C#N ZINC000334057223 375110853 /nfs/dbraw/zinc/11/08/53/375110853.db2.gz VZUDASBIZJUWCE-UHFFFAOYSA-N -1 3 298.350 1.356 20 30 CDEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000428244170 247269591 /nfs/dbraw/zinc/26/95/91/247269591.db2.gz OOMRKGTYLAQKDW-UHFFFAOYSA-N -1 3 299.355 1.921 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(C(F)F)CC2)s1 ZINC000435434859 248169101 /nfs/dbraw/zinc/16/91/01/248169101.db2.gz UZHXREUFLINNAM-UHFFFAOYSA-N -1 3 292.332 1.943 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC2CC(O)C2)s1 ZINC000435423465 248169807 /nfs/dbraw/zinc/16/98/07/248169807.db2.gz UDCLEZIYGKKTIN-UHFFFAOYSA-N -1 3 286.378 1.059 20 30 CDEDHM C=C(C)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)OC ZINC000280650438 377968472 /nfs/dbraw/zinc/96/84/72/377968472.db2.gz VYWPTHYEFZLNGJ-ZDUSSCGKSA-N -1 3 297.376 1.266 20 30 CDEDHM C#CCSCCNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000282690492 378065736 /nfs/dbraw/zinc/06/57/36/378065736.db2.gz KEKDSXIFVJUBTE-UHFFFAOYSA-N -1 3 278.312 1.193 20 30 CDEDHM C#CCSCCNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000282690492 378065738 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CC(C)C[C@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735755154 575507443 /nfs/dbraw/zinc/50/74/43/575507443.db2.gz CIGDNKGMBSULBX-CQSZACIVSA-N -1 3 299.338 1.320 20 30 CDEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735755154 575507447 /nfs/dbraw/zinc/50/74/47/575507447.db2.gz CIGDNKGMBSULBX-CQSZACIVSA-N -1 3 299.338 1.320 20 30 CDEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768860909 576314525 /nfs/dbraw/zinc/31/45/25/576314525.db2.gz BIXXAYNUHOSLGN-ZETCQYMHSA-N -1 3 289.338 1.627 20 30 CDEDHM C#CCCO[N-]C(=O)Cc1ccc(OC)c(OC)c1 ZINC000760353750 576479224 /nfs/dbraw/zinc/47/92/24/576479224.db2.gz RJVVXUJOCYAQPV-UHFFFAOYSA-N -1 3 263.293 1.317 20 30 CDEDHM CN1CCC(=N[N-]c2nnc(-c3ccccc3)n2C)C1=O ZINC000761782828 576593228 /nfs/dbraw/zinc/59/32/28/576593228.db2.gz RPKHXFOABRXZET-UHFFFAOYSA-N -1 3 284.323 1.112 20 30 CDEDHM [O-]c1cc(O)ccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753934914 576866921 /nfs/dbraw/zinc/86/69/21/576866921.db2.gz LEHOPAMEPMBIHQ-VXGBXAGGSA-N -1 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C[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)O1 ZINC000820674163 606958313 /nfs/dbraw/zinc/95/83/13/606958313.db2.gz BLTPDRSDPDRZSF-QPUJVOFHSA-N -1 3 298.306 1.244 20 30 CDEDHM C#CCN(CC#C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000819697326 607069346 /nfs/dbraw/zinc/06/93/46/607069346.db2.gz ASLJABWAUAVCFH-UHFFFAOYSA-N -1 3 269.283 1.074 20 30 CDEDHM C#CCN(CC#C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000819697326 607069347 /nfs/dbraw/zinc/06/93/47/607069347.db2.gz ASLJABWAUAVCFH-UHFFFAOYSA-N -1 3 269.283 1.074 20 30 CDEDHM c1cnc(N=NCc2ccccc2-c2nnn[n-]2)nc1 ZINC000823867810 607885683 /nfs/dbraw/zinc/88/56/83/607885683.db2.gz IYEWLUSUVYVSMI-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM FC(F)(F)CON=Cc1ccccc1-c1nnn[n-]1 ZINC000826367801 607889906 /nfs/dbraw/zinc/88/99/06/607889906.db2.gz ORKMXMPFTDZFNM-UHFFFAOYSA-N -1 3 271.202 1.780 20 30 CDEDHM FC(F)(F)CON=Cc1ccccc1-c1nn[n-]n1 ZINC000826367801 607889907 /nfs/dbraw/zinc/88/99/07/607889907.db2.gz ORKMXMPFTDZFNM-UHFFFAOYSA-N -1 3 271.202 1.780 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1cccc(C#N)n1 ZINC000826176582 607894718 /nfs/dbraw/zinc/89/47/18/607894718.db2.gz VKFBPFWZPWMJOC-UHFFFAOYSA-N -1 3 294.274 1.934 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1cccc(C#N)n1 ZINC000826176582 607894719 /nfs/dbraw/zinc/89/47/19/607894719.db2.gz VKFBPFWZPWMJOC-UHFFFAOYSA-N -1 3 294.274 1.934 20 30 CDEDHM C=CCCOCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000823899473 607934901 /nfs/dbraw/zinc/93/49/01/607934901.db2.gz WWLRNYNNJXBDGN-UHFFFAOYSA-N -1 3 294.746 1.920 20 30 CDEDHM C=CCCOCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000823899473 607934902 /nfs/dbraw/zinc/93/49/02/607934902.db2.gz WWLRNYNNJXBDGN-UHFFFAOYSA-N -1 3 294.746 1.920 20 30 CDEDHM C=CCCCC(=O)N(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001602832637 1175421272 /nfs/dbraw/zinc/42/12/72/1175421272.db2.gz VGBIYLZTHYVESM-UHFFFAOYSA-N -1 3 272.312 1.581 20 30 CDEDHM C=CCCCC(=O)N(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001602832637 1175421278 /nfs/dbraw/zinc/42/12/78/1175421278.db2.gz VGBIYLZTHYVESM-UHFFFAOYSA-N -1 3 272.312 1.581 20 30 CDEDHM C=CC[C@H](C(=O)[O-])N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001602835534 1175423564 /nfs/dbraw/zinc/42/35/64/1175423564.db2.gz RPLYNLWFVUYJRX-VXGBXAGGSA-N -1 3 298.383 1.957 20 30 CDEDHM C#C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823838567 608454619 /nfs/dbraw/zinc/45/46/19/608454619.db2.gz RPCAVGGVCWXRMQ-GFCCVEGCSA-N -1 3 268.276 1.435 20 30 CDEDHM C#C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823838567 608454620 /nfs/dbraw/zinc/45/46/20/608454620.db2.gz RPCAVGGVCWXRMQ-GFCCVEGCSA-N -1 3 268.276 1.435 20 30 CDEDHM COC[C@H](C)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826149438 609306095 /nfs/dbraw/zinc/30/60/95/609306095.db2.gz HNNGJLHTRQKRCD-QMMMGPOBSA-N -1 3 292.318 1.354 20 30 CDEDHM COC[C@H](C)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826149438 609306096 /nfs/dbraw/zinc/30/60/96/609306096.db2.gz HNNGJLHTRQKRCD-QMMMGPOBSA-N -1 3 292.318 1.354 20 30 CDEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000890529110 617198714 /nfs/dbraw/zinc/19/87/14/617198714.db2.gz 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/nfs/dbraw/zinc/26/31/94/618263194.db2.gz UTVQALYNDBPPGL-GFCCVEGCSA-N -1 3 251.282 1.138 20 30 CDEDHM N#Cc1cnc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(F)c1 ZINC000894371979 618828783 /nfs/dbraw/zinc/82/87/83/618828783.db2.gz FRMVNHLQGPFMLH-SECBINFHSA-N -1 3 273.271 1.515 20 30 CDEDHM N#Cc1ccc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)nc1 ZINC000894373937 618830418 /nfs/dbraw/zinc/83/04/18/618830418.db2.gz YPZXCGHBOHTFCX-JTQLQIEISA-N -1 3 255.281 1.376 20 30 CDEDHM CN(C)c1c(CN[C@@H]2CCCN([O-])C2=O)ccc(F)c1F ZINC000895156203 619371254 /nfs/dbraw/zinc/37/12/54/619371254.db2.gz BAVUFYNOFVDBKH-LLVKDONJSA-N -1 3 299.321 1.501 20 30 CDEDHM Cc1cccc(CN[C@H]2CCCN([O-])C2=O)c1F ZINC000895159596 619377104 /nfs/dbraw/zinc/37/71/04/619377104.db2.gz WEYNLVMAIJRDNX-NSHDSACASA-N -1 3 252.289 1.604 20 30 CDEDHM COc1cccc(CN[C@H]2CCCN([O-])C2=O)c1OC ZINC000895167243 619398585 /nfs/dbraw/zinc/39/85/85/619398585.db2.gz XLSHCMMYPSAXTQ-NSHDSACASA-N -1 3 280.324 1.174 20 30 CDEDHM C=C1CCC(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)CC1 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COCCCO[N-]C(=O)/C=C/C(=O)c1ccc(C)cc1 ZINC000908182643 628056786 /nfs/dbraw/zinc/05/67/86/628056786.db2.gz NQHZBTBJFRXKQE-CMDGGOBGSA-N -1 3 277.320 1.818 20 30 CDEDHM O=C(C[C@H]1CCC2(CCC2)CO1)N[C@H]1CCCN([O-])C1=O ZINC000908405395 628184338 /nfs/dbraw/zinc/18/43/38/628184338.db2.gz FVPVRMMCDNVZQD-NEPJUHHUSA-N -1 3 296.367 1.222 20 30 CDEDHM C=CCOCCCNc1ccc(-c2nn[n-]n2)cc1 ZINC001602871528 1175441453 /nfs/dbraw/zinc/44/14/53/1175441453.db2.gz UMDKDTGIUNVHAU-UHFFFAOYSA-N -1 3 259.313 1.871 20 30 CDEDHM CC#CCN(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602894384 1175445540 /nfs/dbraw/zinc/44/55/40/1175445540.db2.gz YWOJTAPJIRPIQN-MDZDMXLPSA-N -1 3 281.319 1.362 20 30 CDEDHM CC#CCN(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602894384 1175445544 /nfs/dbraw/zinc/44/55/44/1175445544.db2.gz YWOJTAPJIRPIQN-MDZDMXLPSA-N -1 3 281.319 1.362 20 30 CDEDHM CO[C@H]1CCCC[C@@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226256562 1160150159 /nfs/dbraw/zinc/15/01/59/1160150159.db2.gz TXWNTASBVRNUKZ-CKOTUWADSA-N -1 3 251.286 1.621 20 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277.291 1.745 20 30 CDEDHM N#Cc1cccnc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001606389488 1163887712 /nfs/dbraw/zinc/88/77/12/1163887712.db2.gz SVKWTJVUYDZLBH-UHFFFAOYSA-N -1 3 277.291 1.745 20 30 CDEDHM COc1ccccc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000866108006 1164735996 /nfs/dbraw/zinc/73/59/96/1164735996.db2.gz LWQPDGBQMFWOCQ-SNVBAGLBSA-N -1 3 279.296 1.197 20 30 CDEDHM C=CCN(C)[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001609056098 1164749097 /nfs/dbraw/zinc/74/90/97/1164749097.db2.gz PKNJJHWXOQCVRO-SNVBAGLBSA-N -1 3 286.339 1.312 20 30 CDEDHM C=CCN(C(=O)NCc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001609055877 1164749893 /nfs/dbraw/zinc/74/98/93/1164749893.db2.gz BQZGCTGLGQMBKG-UHFFFAOYSA-N -1 3 299.338 1.122 20 30 CDEDHM C=CCN(C(=O)NCc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001609055877 1164749901 /nfs/dbraw/zinc/74/99/01/1164749901.db2.gz BQZGCTGLGQMBKG-UHFFFAOYSA-N -1 3 299.338 1.122 20 30 CDEDHM C=CCNc1nn(-c2ccc(-c3nnn[n-]3)cn2)cc1C ZINC001609058714 1164752435 /nfs/dbraw/zinc/75/24/35/1164752435.db2.gz QIXNSQABPHBRLJ-UHFFFAOYSA-N -1 3 282.311 1.354 20 30 CDEDHM C=CCNc1nn(-c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC001609058714 1164752443 /nfs/dbraw/zinc/75/24/43/1164752443.db2.gz QIXNSQABPHBRLJ-UHFFFAOYSA-N -1 3 282.311 1.354 20 30 CDEDHM C#CC1CCN(Cc2cc(C(=O)[O-])c(C)n2C)CC1 ZINC001609058324 1164752710 /nfs/dbraw/zinc/75/27/10/1164752710.db2.gz WKERHQCYCZKFMJ-UHFFFAOYSA-N -1 3 260.337 1.877 20 30 CDEDHM CCON=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001609241596 1164865017 /nfs/dbraw/zinc/86/50/17/1164865017.db2.gz HYELWNOLPBQRSL-UHFFFAOYSA-N -1 3 253.212 1.515 20 30 CDEDHM CCON=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609241596 1164865024 /nfs/dbraw/zinc/86/50/24/1164865024.db2.gz HYELWNOLPBQRSL-UHFFFAOYSA-N -1 3 253.212 1.515 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)c(NCC2(C#N)CCC2)n1 ZINC001609414527 1164937556 /nfs/dbraw/zinc/93/75/56/1164937556.db2.gz MYGHMJIDBPMVLK-UHFFFAOYSA-N -1 3 269.312 1.676 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)c(NCC2(C#N)CCC2)n1 ZINC001609414527 1164937560 /nfs/dbraw/zinc/93/75/60/1164937560.db2.gz 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/nfs/dbraw/zinc/62/73/46/1172627346.db2.gz LYVPAXQPUBPASH-UHFFFAOYSA-N -1 3 290.290 1.223 20 30 CDEDHM C#C[C@H](C)NC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588326073 1173029341 /nfs/dbraw/zinc/02/93/41/1173029341.db2.gz DCZIJUDZBZHBKC-VIFPVBQESA-N -1 3 299.309 1.175 20 30 CDEDHM C#C[C@H](C)NC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588326073 1173029349 /nfs/dbraw/zinc/02/93/49/1173029349.db2.gz DCZIJUDZBZHBKC-VIFPVBQESA-N -1 3 299.309 1.175 20 30 CDEDHM C#CC[C@H]1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2C)C1 ZINC001588337914 1173042699 /nfs/dbraw/zinc/04/26/99/1173042699.db2.gz YHLFRYWTWVROLW-NSHDSACASA-N -1 3 296.334 1.056 20 30 CDEDHM C#CC[C@H]1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2C)C1 ZINC001588337914 1173042704 /nfs/dbraw/zinc/04/27/04/1173042704.db2.gz YHLFRYWTWVROLW-NSHDSACASA-N -1 3 296.334 1.056 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1OC)C1CC1 ZINC001588348790 1173046493 /nfs/dbraw/zinc/04/64/93/1173046493.db2.gz NQWJIIVRNRFDJB-UHFFFAOYSA-N -1 3 297.318 1.113 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1OC)C1CC1 ZINC001588348790 1173046499 /nfs/dbraw/zinc/04/64/99/1173046499.db2.gz NQWJIIVRNRFDJB-UHFFFAOYSA-N -1 3 297.318 1.113 20 30 CDEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cocn1 ZINC001588381502 1173056056 /nfs/dbraw/zinc/05/60/56/1173056056.db2.gz GATZRCANAFYWFB-UHFFFAOYSA-N -1 3 255.241 1.301 20 30 CDEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cocn1 ZINC001588381502 1173056060 /nfs/dbraw/zinc/05/60/60/1173056060.db2.gz GATZRCANAFYWFB-UHFFFAOYSA-N -1 3 255.241 1.301 20 30 CDEDHM C=C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC001588525016 1173072745 /nfs/dbraw/zinc/07/27/45/1173072745.db2.gz AMXGKAJGWZQETJ-JTQLQIEISA-N -1 3 276.321 1.686 20 30 CDEDHM C=C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC001588525016 1173072750 /nfs/dbraw/zinc/07/27/50/1173072750.db2.gz AMXGKAJGWZQETJ-JTQLQIEISA-N -1 3 276.321 1.686 20 30 CDEDHM C=C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC001588525169 1173073053 /nfs/dbraw/zinc/07/30/53/1173073053.db2.gz COGLTXSULMBIAP-SNVBAGLBSA-N -1 3 276.321 1.686 20 30 CDEDHM C=C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC001588525169 1173073057 /nfs/dbraw/zinc/07/30/57/1173073057.db2.gz COGLTXSULMBIAP-SNVBAGLBSA-N -1 3 276.321 1.686 20 30 CDEDHM C=C[C@@H](C)ONC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c21 ZINC001588519277 1173073175 /nfs/dbraw/zinc/07/31/75/1173073175.db2.gz WSJPMHOZWYTLDF-MRVPVSSYSA-N -1 3 298.306 1.584 20 30 CDEDHM C=C[C@@H](C)ONC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c21 ZINC001588519277 1173073183 /nfs/dbraw/zinc/07/31/83/1173073183.db2.gz WSJPMHOZWYTLDF-MRVPVSSYSA-N -1 3 298.306 1.584 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588527322 1173074654 /nfs/dbraw/zinc/07/46/54/1173074654.db2.gz HNMYUKLEPQQUMS-GFCCVEGCSA-N -1 3 298.350 1.751 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588527322 1173074658 /nfs/dbraw/zinc/07/46/58/1173074658.db2.gz HNMYUKLEPQQUMS-GFCCVEGCSA-N -1 3 298.350 1.751 20 30 CDEDHM C=CC[C@@H](CO)CNc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588545950 1173079560 /nfs/dbraw/zinc/07/95/60/1173079560.db2.gz SGKUTWOEZXOEIC-SNVBAGLBSA-N -1 3 274.328 1.167 20 30 CDEDHM C=CC[C@@H](CO)CNc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588545950 1173079563 /nfs/dbraw/zinc/07/95/63/1173079563.db2.gz SGKUTWOEZXOEIC-SNVBAGLBSA-N -1 3 274.328 1.167 20 30 CDEDHM C=CCC[C@H](O)CN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001588580093 1173086974 /nfs/dbraw/zinc/08/69/74/1173086974.db2.gz ZISRHFCWXXVGMK-LBPRGKRZSA-N -1 3 299.378 1.946 20 30 CDEDHM C=CCC[C@H](O)CN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001588580093 1173086979 /nfs/dbraw/zinc/08/69/79/1173086979.db2.gz ZISRHFCWXXVGMK-LBPRGKRZSA-N -1 3 299.378 1.946 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001588725990 1173099728 /nfs/dbraw/zinc/09/97/28/1173099728.db2.gz QJSDCFHGPGYVFC-YPMHNXCESA-N -1 3 299.334 1.705 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588725990 1173099731 /nfs/dbraw/zinc/09/97/31/1173099731.db2.gz QJSDCFHGPGYVFC-YPMHNXCESA-N -1 3 299.334 1.705 20 30 CDEDHM CC(=NNC12CC(C1)C2)c1ccc(-c2nnn[n-]2)cc1F ZINC001588776371 1173104649 /nfs/dbraw/zinc/10/46/49/1173104649.db2.gz JSRYPNQVPTWMAD-UHFFFAOYSA-N -1 3 286.314 1.872 20 30 CDEDHM CC(=NNC12CC(C1)C2)c1ccc(-c2nn[n-]n2)cc1F ZINC001588776371 1173104651 /nfs/dbraw/zinc/10/46/51/1173104651.db2.gz JSRYPNQVPTWMAD-UHFFFAOYSA-N -1 3 286.314 1.872 20 30 CDEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCCCC#N ZINC001588919022 1173112355 /nfs/dbraw/zinc/11/23/55/1173112355.db2.gz XYOSHPJOHRVJAZ-UHFFFAOYSA-N -1 3 271.280 1.752 20 30 CDEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCCCC#N ZINC001588919022 1173112359 /nfs/dbraw/zinc/11/23/59/1173112359.db2.gz XYOSHPJOHRVJAZ-UHFFFAOYSA-N -1 3 271.280 1.752 20 30 CDEDHM CC(C)(C#N)CC(=O)OCc1ccc(-c2nnn[n-]2)s1 ZINC001589033269 1173119858 /nfs/dbraw/zinc/11/98/58/1173119858.db2.gz CRWAXQPPZQXFIT-UHFFFAOYSA-N -1 3 291.336 1.911 20 30 CDEDHM CC[C@@H](C#N)OC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590367900 1173377424 /nfs/dbraw/zinc/37/74/24/1173377424.db2.gz MVNOWSAZYFXMLL-VIFPVBQESA-N -1 3 287.279 1.334 20 30 CDEDHM CC[C@@H](C#N)OC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590367900 1173377431 /nfs/dbraw/zinc/37/74/31/1173377431.db2.gz MVNOWSAZYFXMLL-VIFPVBQESA-N -1 3 287.279 1.334 20 30 CDEDHM CC[C@H](CC#N)NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001590419920 1173402056 /nfs/dbraw/zinc/40/20/56/1173402056.db2.gz QKTIIBVJBALGIB-GFCCVEGCSA-N -1 3 298.350 1.906 20 30 CDEDHM CC[C@H](CC#N)NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001590419920 1173402060 /nfs/dbraw/zinc/40/20/60/1173402060.db2.gz QKTIIBVJBALGIB-GFCCVEGCSA-N -1 3 298.350 1.906 20 30 CDEDHM CCOC1CCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001590797095 1173513925 /nfs/dbraw/zinc/51/39/25/1173513925.db2.gz UYZWDPVEFQHSEA-UHFFFAOYSA-N -1 3 298.350 1.744 20 30 CDEDHM CCOC1CCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001590797095 1173513931 /nfs/dbraw/zinc/51/39/31/1173513931.db2.gz UYZWDPVEFQHSEA-UHFFFAOYSA-N -1 3 298.350 1.744 20 30 CDEDHM CN(CC(C)(C)C#N)c1cc(F)ccc1-c1nnn[n-]1 ZINC001591042402 1173564683 /nfs/dbraw/zinc/56/46/83/1173564683.db2.gz DEPIYUIECWGIHK-UHFFFAOYSA-N -1 3 274.303 1.992 20 30 CDEDHM CN(CC(C)(C)C#N)c1cc(F)ccc1-c1nn[n-]n1 ZINC001591042402 1173564686 /nfs/dbraw/zinc/56/46/86/1173564686.db2.gz DEPIYUIECWGIHK-UHFFFAOYSA-N -1 3 274.303 1.992 20 30 CDEDHM Cc1c(Cl)cnc(NCC2(C#N)CC2)c1-c1nnn[n-]1 ZINC001591821971 1173709593 /nfs/dbraw/zinc/70/95/93/1173709593.db2.gz NALCSCWCMWSPQK-UHFFFAOYSA-N -1 3 289.730 1.939 20 30 CDEDHM Cc1c(Cl)cnc(NCC2(C#N)CC2)c1-c1nn[n-]n1 ZINC001591821971 1173709598 /nfs/dbraw/zinc/70/95/98/1173709598.db2.gz NALCSCWCMWSPQK-UHFFFAOYSA-N -1 3 289.730 1.939 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N([C@@H](C)C#N)C1CC1 ZINC001592095570 1173797583 /nfs/dbraw/zinc/79/75/83/1173797583.db2.gz YXWQQUXKUZNBRH-JTQLQIEISA-N -1 3 296.334 1.692 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N([C@@H](C)C#N)C1CC1 ZINC001592095570 1173797587 /nfs/dbraw/zinc/79/75/87/1173797587.db2.gz YXWQQUXKUZNBRH-JTQLQIEISA-N -1 3 296.334 1.692 20 30 CDEDHM Cc1nc(N2CCC(C#N)CC2)ccc1-c1nnn[n-]1 ZINC001592366851 1173870260 /nfs/dbraw/zinc/87/02/60/1173870260.db2.gz RCRXJSAAQPNEDB-UHFFFAOYSA-N -1 3 269.312 1.310 20 30 CDEDHM Cc1nc(N2CCC(C#N)CC2)ccc1-c1nn[n-]n1 ZINC001592366851 1173870263 /nfs/dbraw/zinc/87/02/63/1173870263.db2.gz RCRXJSAAQPNEDB-UHFFFAOYSA-N -1 3 269.312 1.310 20 30 CDEDHM N#C[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001592672955 1173962116 /nfs/dbraw/zinc/96/21/16/1173962116.db2.gz RMQKSPIWJCTSII-SNVBAGLBSA-N -1 3 286.314 1.741 20 30 CDEDHM N#C[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001592672955 1173962118 /nfs/dbraw/zinc/96/21/18/1173962118.db2.gz RMQKSPIWJCTSII-SNVBAGLBSA-N -1 3 286.314 1.741 20 30 CDEDHM N#CCCN(Cc1cc(-c2nnn[n-]2)ccn1)CC1CC1 ZINC001592677002 1173968541 /nfs/dbraw/zinc/96/85/41/1173968541.db2.gz PIPSUGRWFIYYPG-UHFFFAOYSA-N -1 3 283.339 1.387 20 30 CDEDHM N#CCCN(Cc1cc(-c2nn[n-]n2)ccn1)CC1CC1 ZINC001592677002 1173968547 /nfs/dbraw/zinc/96/85/47/1173968547.db2.gz PIPSUGRWFIYYPG-UHFFFAOYSA-N -1 3 283.339 1.387 20 30 CDEDHM N#Cc1cc(NC(=O)C23CC(C2)C3)ccc1-c1nnn[n-]1 ZINC001592689579 1173972563 /nfs/dbraw/zinc/97/25/63/1173972563.db2.gz LVVITFJEQYYOHV-UHFFFAOYSA-N -1 3 280.291 1.477 20 30 CDEDHM N#Cc1cc(NC(=O)C23CC(C2)C3)ccc1-c1nn[n-]n1 ZINC001592689579 1173972571 /nfs/dbraw/zinc/97/25/71/1173972571.db2.gz LVVITFJEQYYOHV-UHFFFAOYSA-N -1 3 280.291 1.477 20 30 CDEDHM N#Cc1cnnc(Sc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592703851 1173978781 /nfs/dbraw/zinc/97/87/81/1173978781.db2.gz DOPBENXKZIEOKL-UHFFFAOYSA-N -1 3 281.304 1.680 20 30 CDEDHM N#Cc1cnnc(Sc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592703851 1173978786 /nfs/dbraw/zinc/97/87/86/1173978786.db2.gz DOPBENXKZIEOKL-UHFFFAOYSA-N -1 3 281.304 1.680 20 30 CDEDHM O=C1C(=Cc2cn[nH]c2)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001593380055 1174074232 /nfs/dbraw/zinc/07/42/32/1174074232.db2.gz LQUWBHOMNLEEOT-QDEBKDIKSA-N -1 3 278.275 1.412 20 30 CDEDHM O=C1C(=Cc2cn[nH]c2)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001593380055 1174074239 /nfs/dbraw/zinc/07/42/39/1174074239.db2.gz LQUWBHOMNLEEOT-QDEBKDIKSA-N -1 3 278.275 1.412 20 30 CDEDHM C[C@@H](NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC001594206319 1174179931 /nfs/dbraw/zinc/17/99/31/1174179931.db2.gz BYCJRWNHHSZROG-SSDOTTSWSA-N -1 3 283.125 1.883 20 30 CDEDHM N#CCC[C@@H](C#N)CNC[C@H](Cc1ccccc1)C(=O)[O-] ZINC001601066082 1174726316 /nfs/dbraw/zinc/72/63/16/1174726316.db2.gz CLSHVBGIKVUNNK-GJZGRUSLSA-N -1 3 285.347 1.963 20 30 CDEDHM N#Cc1ccsc1NC(=O)CNC1(CC(=O)[O-])CCC1 ZINC001601129655 1174755003 /nfs/dbraw/zinc/75/50/03/1174755003.db2.gz NESVSNGFQCGWON-UHFFFAOYSA-N -1 3 293.348 1.545 20 30 CDEDHM C#C[C@H](CCC)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001602687580 1175352387 /nfs/dbraw/zinc/35/23/87/1175352387.db2.gz CSNCAFKHSIAXTK-SECBINFHSA-N -1 3 275.337 1.460 20 30 CDEDHM C#CCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCC1 ZINC001602699271 1175363025 /nfs/dbraw/zinc/36/30/25/1175363025.db2.gz FVKXBVBQXMSFTP-UHFFFAOYSA-N -1 3 298.350 1.651 20 30 CDEDHM C#CCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC001602699271 1175363028 /nfs/dbraw/zinc/36/30/28/1175363028.db2.gz FVKXBVBQXMSFTP-UHFFFAOYSA-N -1 3 298.350 1.651 20 30 CDEDHM C#CCNC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602722364 1175374037 /nfs/dbraw/zinc/37/40/37/1175374037.db2.gz ODOUUVOBWPFGKJ-JTQLQIEISA-N -1 3 284.323 1.202 20 30 CDEDHM C#CCNC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602722364 1175374042 /nfs/dbraw/zinc/37/40/42/1175374042.db2.gz ODOUUVOBWPFGKJ-JTQLQIEISA-N -1 3 284.323 1.202 20 30 CDEDHM C#CCOCCN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001602729150 1175376698 /nfs/dbraw/zinc/37/66/98/1175376698.db2.gz GNFDKGXDRFMCLC-UHFFFAOYSA-N -1 3 289.314 1.087 20 30 CDEDHM C#CCn1c(C)csc1=Nc1ccccc1-c1nnn[n-]1 ZINC001602732908 1175377264 /nfs/dbraw/zinc/37/72/64/1175377264.db2.gz KROINLTYDIFYFC-UHFFFAOYSA-N -1 3 296.359 1.904 20 30 CDEDHM C#CCn1c(C)csc1=Nc1ccccc1-c1nn[n-]n1 ZINC001602732908 1175377270 /nfs/dbraw/zinc/37/72/70/1175377270.db2.gz KROINLTYDIFYFC-UHFFFAOYSA-N -1 3 296.359 1.904 20 30 CDEDHM C=C(C)CON=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001602763124 1175392537 /nfs/dbraw/zinc/39/25/37/1175392537.db2.gz BRUQEEFENQBXTB-UHFFFAOYSA-N -1 3 284.323 1.895 20 30 CDEDHM C=C(C)CON=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001602763124 1175392539 /nfs/dbraw/zinc/39/25/39/1175392539.db2.gz BRUQEEFENQBXTB-UHFFFAOYSA-N -1 3 284.323 1.895 20 30 CDEDHM C=C(CCC(=O)[O-])C(=O)N1CCCN(C)C[C@H]1CC ZINC001602776791 1175396050 /nfs/dbraw/zinc/39/60/50/1175396050.db2.gz YTNUMMBPBHHKMS-GFCCVEGCSA-N -1 3 268.357 1.350 20 30 CDEDHM CC(C)(C(=O)N1CC(C#N)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603034868 1175480649 /nfs/dbraw/zinc/48/06/49/1175480649.db2.gz WRKOBYVBITXTBV-UHFFFAOYSA-N -1 3 296.334 1.126 20 30 CDEDHM CC(C)(C(=O)N1CC(C#N)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603034868 1175480651 /nfs/dbraw/zinc/48/06/51/1175480651.db2.gz WRKOBYVBITXTBV-UHFFFAOYSA-N -1 3 296.334 1.126 20 30 CDEDHM CC(C)(CO)CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603152842 1175503201 /nfs/dbraw/zinc/50/32/01/1175503201.db2.gz RZYGUYIHZUHCDB-UHFFFAOYSA-N -1 3 286.339 1.559 20 30 CDEDHM CC(C)(CO)CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603152842 1175503207 /nfs/dbraw/zinc/50/32/07/1175503207.db2.gz RZYGUYIHZUHCDB-UHFFFAOYSA-N -1 3 286.339 1.559 20 30 CDEDHM C[C@H](CC#N)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001603442612 1175555052 /nfs/dbraw/zinc/55/50/52/1175555052.db2.gz LCKASGFBXGCVPY-RNCFNFMXSA-N -1 3 296.334 1.520 20 30 CDEDHM C[C@H](CC#N)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001603442612 1175555059 /nfs/dbraw/zinc/55/50/59/1175555059.db2.gz LCKASGFBXGCVPY-RNCFNFMXSA-N -1 3 296.334 1.520 20 30 CDEDHM C[C@@]1(C#N)CCN(Cc2csc(-c3nnn[n-]3)c2)C1 ZINC001603736071 1175611906 /nfs/dbraw/zinc/61/19/06/1175611906.db2.gz DGDKIXWALMNDMN-LBPRGKRZSA-N -1 3 274.353 1.664 20 30 CDEDHM CC[C@@H](C#N)N(C)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001603977591 1175705504 /nfs/dbraw/zinc/70/55/04/1175705504.db2.gz CPFCFBWIXMISBL-VIFPVBQESA-N -1 3 288.286 1.380 20 30 CDEDHM CC[C@@H](C#N)N(C)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001603977591 1175705508 /nfs/dbraw/zinc/70/55/08/1175705508.db2.gz CPFCFBWIXMISBL-VIFPVBQESA-N -1 3 288.286 1.380 20 30 CDEDHM CC[C@@H](CC#N)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604013920 1175721655 /nfs/dbraw/zinc/72/16/55/1175721655.db2.gz PPFINBRCINHXHX-VIFPVBQESA-N -1 3 287.283 1.879 20 30 CDEDHM CC[C@@H](CC#N)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604013920 1175721659 /nfs/dbraw/zinc/72/16/59/1175721659.db2.gz PPFINBRCINHXHX-VIFPVBQESA-N -1 3 287.283 1.879 20 30 CDEDHM C#CCN1CC[C@@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001753313725 1185151210 /nfs/dbraw/zinc/15/12/10/1185151210.db2.gz VNWMOPGBRZDWAP-CQSZACIVSA-N -1 3 286.375 1.952 20 30 CDEDHM N#Cc1ncn(CC[C@@H]2CC2(Cl)Cl)c1-c1nnn[n-]1 ZINC001606398877 1163889536 /nfs/dbraw/zinc/88/95/36/1163889536.db2.gz ZFQPAHDSIALYCW-ZCFIWIBFSA-N -1 3 298.137 1.519 20 30 CDEDHM C#C[C@H](CC)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001609018965 1164725451 /nfs/dbraw/zinc/72/54/51/1164725451.db2.gz KAMLIUNCOCMVTL-GFCCVEGCSA-N -1 3 284.323 1.078 20 30 CDEDHM C#C[C@H](CC)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001609018965 1164725456 /nfs/dbraw/zinc/72/54/56/1164725456.db2.gz KAMLIUNCOCMVTL-GFCCVEGCSA-N -1 3 284.323 1.078 20 30 CDEDHM C=C(C)[C@H](CO)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001609051289 1164744052 /nfs/dbraw/zinc/74/40/52/1164744052.db2.gz UZAMYHZQFIDRCA-ZDUSSCGKSA-N -1 3 271.324 1.119 20 30 CDEDHM CC(C)OCCON=Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609101306 1164772077 /nfs/dbraw/zinc/77/20/77/1164772077.db2.gz GSKNUBKEMHRBGE-UHFFFAOYSA-N -1 3 293.302 1.781 20 30 CDEDHM CC(C)OCCON=Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609101306 1164772080 /nfs/dbraw/zinc/77/20/80/1164772080.db2.gz GSKNUBKEMHRBGE-UHFFFAOYSA-N -1 3 293.302 1.781 20 30 CDEDHM C#CCOCCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000162404499 730429879 /nfs/dbraw/zinc/42/98/79/730429879.db2.gz GCXBFVPQALOJJP-UHFFFAOYSA-N -1 3 296.348 1.037 20 30 CDEDHM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848138468 730484039 /nfs/dbraw/zinc/48/40/39/730484039.db2.gz NMILFGBQQQYYAM-GWCFXTLKSA-N -1 3 294.326 1.501 20 30 CDEDHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](C#N)C(C)C)c1 ZINC000886402238 730494565 /nfs/dbraw/zinc/49/45/65/730494565.db2.gz AIDCUKOLDYQCCT-VIFPVBQESA-N -1 3 287.772 1.870 20 30 CDEDHM C=CCN1CC[C@@H]1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001038480378 730868730 /nfs/dbraw/zinc/86/87/30/730868730.db2.gz XLJVZJBCKRYXKL-GFCCVEGCSA-N -1 3 297.358 1.518 20 30 CDEDHM Cc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1F ZINC000877936699 730901404 /nfs/dbraw/zinc/90/14/04/730901404.db2.gz ABJJOLWKJHMELS-LLVKDONJSA-N -1 3 281.287 1.636 20 30 CDEDHM N#Cc1ncn(Cc2cccc(Cl)n2)c1-c1nnn[n-]1 ZINC000826388323 731167754 /nfs/dbraw/zinc/16/77/54/731167754.db2.gz RSERDURALIVTPQ-UHFFFAOYSA-N -1 3 286.686 1.032 20 30 CDEDHM CC[C@H](CC(F)(F)F)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848132795 731222264 /nfs/dbraw/zinc/22/22/64/731222264.db2.gz VGSBTXFYCNFION-HTQZYQBOSA-N -1 3 282.262 1.461 20 30 CDEDHM C#CC(C)(C)[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000881889695 731248760 /nfs/dbraw/zinc/24/87/60/731248760.db2.gz FJRKATAQVGHEKQ-UHFFFAOYSA-N -1 3 258.368 1.396 20 30 CDEDHM C=CCN(CCOC)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436579623 731281797 /nfs/dbraw/zinc/28/17/97/731281797.db2.gz DAOAXQLVLAWPNL-UHFFFAOYSA-N -1 3 279.292 1.396 20 30 CDEDHM C[C@H]1CC[C@@](C)(C(=O)N[C@H]2CCCN([O-])C2=O)C1(C)C ZINC000848131527 731397009 /nfs/dbraw/zinc/39/70/09/731397009.db2.gz HZKWUHATRZZSPL-PGUXBMHVSA-N -1 3 282.384 1.945 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(CF)cc1 ZINC000854648873 731399302 /nfs/dbraw/zinc/39/93/02/731399302.db2.gz LRAUHIIXRBRVDY-LLVKDONJSA-N -1 3 266.272 1.266 20 30 CDEDHM O=C(/C=C\c1cccs1)N[C@H]1CCCN([O-])C1=O ZINC000820482957 731528914 /nfs/dbraw/zinc/52/89/14/731528914.db2.gz VECKMVCRTCSFTD-OMMCCPJFSA-N -1 3 266.322 1.258 20 30 CDEDHM CC#CCN1CC[C@@]2(NC(=O)c3ncccc3[O-])CCC[C@H]12 ZINC000990393194 731658380 /nfs/dbraw/zinc/65/83/80/731658380.db2.gz CGPHPSQVRAZLJV-YOEHRIQHSA-N -1 3 299.374 1.537 20 30 CDEDHM C#CCN1CCC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000923562354 731730550 /nfs/dbraw/zinc/73/05/50/731730550.db2.gz HZNIGSIGCGZLJE-GFCCVEGCSA-N -1 3 276.311 1.359 20 30 CDEDHM 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C=CCN(c1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001588653721 1173093114 /nfs/dbraw/zinc/09/31/14/1173093114.db2.gz VVFXQXWAUABZEY-UHFFFAOYSA-N -1 3 260.276 1.556 20 30 CDEDHM C=CCOCCSc1ccc(-c2nnn[n-]2)cn1 ZINC001588689165 1173099322 /nfs/dbraw/zinc/09/93/22/1173099322.db2.gz IBKHVALVTBLAAX-UHFFFAOYSA-N -1 3 263.326 1.556 20 30 CDEDHM C=CCOCCSc1ccc(-c2nn[n-]n2)cn1 ZINC001588689165 1173099330 /nfs/dbraw/zinc/09/93/30/1173099330.db2.gz IBKHVALVTBLAAX-UHFFFAOYSA-N -1 3 263.326 1.556 20 30 CDEDHM CC(=NNC[C@@H](C)C#N)c1ccccc1-c1nnn[n-]1 ZINC001588776187 1173104083 /nfs/dbraw/zinc/10/40/83/1173104083.db2.gz CPRSRVYQCXBHSA-VIFPVBQESA-N -1 3 269.312 1.340 20 30 CDEDHM CC(=NNC[C@@H](C)C#N)c1ccccc1-c1nn[n-]n1 ZINC001588776187 1173104087 /nfs/dbraw/zinc/10/40/87/1173104087.db2.gz CPRSRVYQCXBHSA-VIFPVBQESA-N -1 3 269.312 1.340 20 30 CDEDHM C[C@H](C#N)CN(C)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001588930651 1173115600 /nfs/dbraw/zinc/11/56/00/1173115600.db2.gz DALITKVJFFWSLH-SECBINFHSA-N -1 3 274.303 1.597 20 30 CDEDHM C[C@H](C#N)CN(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588930651 1173115602 /nfs/dbraw/zinc/11/56/02/1173115602.db2.gz DALITKVJFFWSLH-SECBINFHSA-N -1 3 274.303 1.597 20 30 CDEDHM CC(C)(C)C#CC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001589071676 1173123147 /nfs/dbraw/zinc/12/31/47/1173123147.db2.gz MZQLJHUJZZEMFO-UHFFFAOYSA-N -1 3 289.364 1.594 20 30 CDEDHM C[C@H](CC#N)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001589786434 1173179668 /nfs/dbraw/zinc/17/96/68/1173179668.db2.gz ADLHVBAMVWZOPD-SSDOTTSWSA-N -1 3 275.243 1.461 20 30 CDEDHM C[C@H](CC#N)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001589786434 1173179671 /nfs/dbraw/zinc/17/96/71/1173179671.db2.gz ADLHVBAMVWZOPD-SSDOTTSWSA-N -1 3 275.243 1.461 20 30 CDEDHM CC[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001590855394 1173527878 /nfs/dbraw/zinc/52/78/78/1173527878.db2.gz UEJHAZZPXXTIKJ-RWMBFGLXSA-N -1 3 296.334 1.389 20 30 CDEDHM CC[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001590855394 1173527885 /nfs/dbraw/zinc/52/78/85/1173527885.db2.gz UEJHAZZPXXTIKJ-RWMBFGLXSA-N -1 3 296.334 1.389 20 30 CDEDHM CC[C@H](C#N)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590866352 1173533404 /nfs/dbraw/zinc/53/34/04/1173533404.db2.gz RGHXGKXFZZOXOY-GFCCVEGCSA-N -1 3 296.334 1.317 20 30 CDEDHM CC[C@H](C#N)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590866352 1173533407 /nfs/dbraw/zinc/53/34/07/1173533407.db2.gz RGHXGKXFZZOXOY-GFCCVEGCSA-N -1 3 296.334 1.317 20 30 CDEDHM Cc1c(C(=O)N[C@@]2(C#N)CC2(C)C)cccc1-c1nnn[n-]1 ZINC001591805817 1173706851 /nfs/dbraw/zinc/70/68/51/1173706851.db2.gz IYQGIQZDJKZZJZ-OAHLLOKOSA-N -1 3 296.334 1.597 20 30 CDEDHM Cc1c(C(=O)N[C@@]2(C#N)CC2(C)C)cccc1-c1nn[n-]n1 ZINC001591805817 1173706855 /nfs/dbraw/zinc/70/68/55/1173706855.db2.gz IYQGIQZDJKZZJZ-OAHLLOKOSA-N -1 3 296.334 1.597 20 30 CDEDHM Cc1cc(N2CCC(C#N)CC2)ncc1-c1nnn[n-]1 ZINC001591999551 1173770341 /nfs/dbraw/zinc/77/03/41/1173770341.db2.gz JXPRAQSXWZSCHT-UHFFFAOYSA-N -1 3 269.312 1.310 20 30 CDEDHM Cc1cc(N2CCC(C#N)CC2)ncc1-c1nn[n-]n1 ZINC001591999551 1173770347 /nfs/dbraw/zinc/77/03/47/1173770347.db2.gz JXPRAQSXWZSCHT-UHFFFAOYSA-N -1 3 269.312 1.310 20 30 CDEDHM Cc1cc(N[C@H](C)CC#N)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592034441 1173780110 /nfs/dbraw/zinc/78/01/10/1173780110.db2.gz PFUKWOCQYRQPJH-MRVPVSSYSA-N -1 3 287.283 1.797 20 30 CDEDHM Cc1cc(N[C@H](C)CC#N)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592034441 1173780113 /nfs/dbraw/zinc/78/01/13/1173780113.db2.gz PFUKWOCQYRQPJH-MRVPVSSYSA-N -1 3 287.283 1.797 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1CCC1 ZINC001592699748 1173974320 /nfs/dbraw/zinc/97/43/20/1173974320.db2.gz KRKWLFSZJMMULS-UHFFFAOYSA-N -1 3 254.297 1.950 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1CCC1 ZINC001592699748 1173974327 /nfs/dbraw/zinc/97/43/27/1173974327.db2.gz KRKWLFSZJMMULS-UHFFFAOYSA-N -1 3 254.297 1.950 20 30 CDEDHM N#Cc1cnccc1SCc1cncc(-c2nnn[n-]2)c1 ZINC001592704083 1173977322 /nfs/dbraw/zinc/97/73/22/1173977322.db2.gz SCLPUBKWDNXGFD-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM N#Cc1cnccc1SCc1cncc(-c2nn[n-]n2)c1 ZINC001592704083 1173977327 /nfs/dbraw/zinc/97/73/27/1173977327.db2.gz SCLPUBKWDNXGFD-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM N#Cc1ncc(OCc2ccccc2-c2nnn[n-]2)cn1 ZINC001592708822 1173981233 /nfs/dbraw/zinc/98/12/33/1173981233.db2.gz SEJCDYPXAWPRTG-UHFFFAOYSA-N -1 3 279.263 1.107 20 30 CDEDHM N#Cc1ncc(OCc2ccccc2-c2nn[n-]n2)cn1 ZINC001592708822 1173981238 /nfs/dbraw/zinc/98/12/38/1173981238.db2.gz SEJCDYPXAWPRTG-UHFFFAOYSA-N -1 3 279.263 1.107 20 30 CDEDHM C#CC[C@@H]1CCN(c2cc(C(C)=O)ccc2-c2nnn[n-]2)C1 ZINC001602702222 1175364809 /nfs/dbraw/zinc/36/48/09/1175364809.db2.gz CYJMIYCHEJGPNE-GFCCVEGCSA-N -1 3 295.346 1.919 20 30 CDEDHM C#CC[C@@H]1CCN(c2cc(C(C)=O)ccc2-c2nn[n-]n2)C1 ZINC001602702222 1175364816 /nfs/dbraw/zinc/36/48/16/1175364816.db2.gz CYJMIYCHEJGPNE-GFCCVEGCSA-N -1 3 295.346 1.919 20 30 CDEDHM C#CCCCCCC(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001602709616 1175368348 /nfs/dbraw/zinc/36/83/48/1175368348.db2.gz IIJAISUEOSJEMW-UHFFFAOYSA-N -1 3 298.350 1.462 20 30 CDEDHM C#CCCCCCC(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001602709616 1175368352 /nfs/dbraw/zinc/36/83/52/1175368352.db2.gz IIJAISUEOSJEMW-UHFFFAOYSA-N -1 3 298.350 1.462 20 30 CDEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1nccs1 ZINC001602745362 1175382135 /nfs/dbraw/zinc/38/21/35/1175382135.db2.gz CAVXVVCTAQCYGF-UHFFFAOYSA-N -1 3 285.336 1.447 20 30 CDEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1nccs1 ZINC001602745362 1175382140 /nfs/dbraw/zinc/38/21/40/1175382140.db2.gz CAVXVVCTAQCYGF-UHFFFAOYSA-N -1 3 285.336 1.447 20 30 CDEDHM C(=NNCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001602745789 1175382288 /nfs/dbraw/zinc/38/22/88/1175382288.db2.gz SUZJASMBBVPOJK-UHFFFAOYSA-N -1 3 278.319 1.990 20 30 CDEDHM C(=NNCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001602745789 1175382296 /nfs/dbraw/zinc/38/22/96/1175382296.db2.gz SUZJASMBBVPOJK-UHFFFAOYSA-N -1 3 278.319 1.990 20 30 CDEDHM C=C(C)C[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602754026 1175387629 /nfs/dbraw/zinc/38/76/29/1175387629.db2.gz XISMPVBJQHBPOK-SNVBAGLBSA-N -1 3 260.301 1.001 20 30 CDEDHM C=CCC[C@H]1CCCN1c1cc(-c2nnn[n-]2)cnn1 ZINC001602832911 1175421801 /nfs/dbraw/zinc/42/18/01/1175421801.db2.gz APEZSAOSBHKPQY-NSHDSACASA-N -1 3 271.328 1.592 20 30 CDEDHM C=CCC[C@H]1CCCN1c1cc(-c2nn[n-]n2)cnn1 ZINC001602832911 1175421811 /nfs/dbraw/zinc/42/18/11/1175421811.db2.gz APEZSAOSBHKPQY-NSHDSACASA-N -1 3 271.328 1.592 20 30 CDEDHM CC#CCN(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602894402 1175446098 /nfs/dbraw/zinc/44/60/98/1175446098.db2.gz ZWNSSABZCIRMPH-NSHDSACASA-N -1 3 299.334 1.116 20 30 CDEDHM C=CCNC(=O)CN[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001602901162 1175447523 /nfs/dbraw/zinc/44/75/23/1175447523.db2.gz ADZAGWPCPWTIBT-CQSZACIVSA-N -1 3 288.347 1.654 20 30 CDEDHM C[C@@H](C#N)CNN=Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602989111 1175473569 /nfs/dbraw/zinc/47/35/69/1175473569.db2.gz NNASJRHBJQFVBS-QMMMGPOBSA-N -1 3 273.275 1.089 20 30 CDEDHM C[C@@H](C#N)CNN=Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602989111 1175473571 /nfs/dbraw/zinc/47/35/71/1175473571.db2.gz NNASJRHBJQFVBS-QMMMGPOBSA-N -1 3 273.275 1.089 20 30 CDEDHM C=C[C@@](C)(CCOC)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000187420978 1184276165 /nfs/dbraw/zinc/27/61/65/1184276165.db2.gz APFVIEHVOWMFSC-JTQLQIEISA-N -1 3 292.261 1.991 20 30 CDEDHM C=C[C@@](C)(CCOC)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000187420978 1184276173 /nfs/dbraw/zinc/27/61/73/1184276173.db2.gz APFVIEHVOWMFSC-JTQLQIEISA-N -1 3 292.261 1.991 20 30 CDEDHM CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)C1CCCC1 ZINC000816758555 735324259 /nfs/dbraw/zinc/32/42/59/735324259.db2.gz RUJFKQBUBIEHPI-NSHDSACASA-N -1 3 268.357 1.699 20 30 CDEDHM C#CCO[N-]C(=O)CCCc1ccc(O)c(F)c1 ZINC000812782652 735396783 /nfs/dbraw/zinc/39/67/83/735396783.db2.gz BZHPSOBPDQXELT-UHFFFAOYSA-N -1 3 251.257 1.535 20 30 CDEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCC=CO2)c1[O-] ZINC000780150762 735411948 /nfs/dbraw/zinc/41/19/48/735411948.db2.gz YMHBJZZKAQGWHA-IYVNWDGISA-N -1 3 262.309 1.700 20 30 CDEDHM N#CC1(COC(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000800263002 735448159 /nfs/dbraw/zinc/44/81/59/735448159.db2.gz DCQDGZPNYLIQLZ-UHFFFAOYSA-N -1 3 260.228 1.558 20 30 CDEDHM N#CC1(COC(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000800263002 735448160 /nfs/dbraw/zinc/44/81/60/735448160.db2.gz DCQDGZPNYLIQLZ-UHFFFAOYSA-N -1 3 260.228 1.558 20 30 CDEDHM N#CC1(COC(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000800263002 735448161 /nfs/dbraw/zinc/44/81/61/735448161.db2.gz DCQDGZPNYLIQLZ-UHFFFAOYSA-N -1 3 260.228 1.558 20 30 CDEDHM C=CCCO[N-]C(=O)Cc1ccc(OC)c(O)c1 ZINC000869282194 735895120 /nfs/dbraw/zinc/89/51/20/735895120.db2.gz BBSWHUFZOHJTDU-UHFFFAOYSA-N -1 3 251.282 1.567 20 30 CDEDHM COC(=O)c1cccc([N-]N=C2C(=O)OC[C@H]2C)c1F ZINC000835019108 735991043 /nfs/dbraw/zinc/99/10/43/735991043.db2.gz ORAPUSBMTNDNDC-SSDOTTSWSA-N -1 3 280.255 1.573 20 30 CDEDHM C#Cc1cncc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000798172975 736330168 /nfs/dbraw/zinc/33/01/68/736330168.db2.gz QBWZKNPAYDMPFE-UHFFFAOYSA-N -1 3 270.263 1.838 20 30 CDEDHM C=C(C)C[C@@H](CO)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000882892141 733585081 /nfs/dbraw/zinc/58/50/81/733585081.db2.gz NZVPMAJXWDECAI-VIFPVBQESA-N -1 3 279.292 1.178 20 30 CDEDHM CCCNC(=O)CCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000840460542 733666682 /nfs/dbraw/zinc/66/66/82/733666682.db2.gz VNIGQGGPLQWRSS-UHFFFAOYSA-N -1 3 290.319 1.727 20 30 CDEDHM C/C(=C/C(=O)N[C@@H]1CCCN([O-])C1=O)c1cccc(F)c1 ZINC000816754405 733875637 /nfs/dbraw/zinc/87/56/37/733875637.db2.gz CXQSJDIBYNSPKD-CHOZFAJLSA-N -1 3 292.310 1.725 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CSC1 ZINC000880739742 734133552 /nfs/dbraw/zinc/13/35/52/734133552.db2.gz UAIXKCNOHFTESA-UHFFFAOYSA-N -1 3 291.376 1.440 20 30 CDEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccccc1S(C)(=O)=O ZINC000846551722 734178724 /nfs/dbraw/zinc/17/87/24/734178724.db2.gz ABDQCWYEGFFAIG-JTQLQIEISA-N -1 3 283.349 1.255 20 30 CDEDHM C=CCO[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837048361 734203463 /nfs/dbraw/zinc/20/34/63/734203463.db2.gz SARVYYVQUIJRKG-UHFFFAOYSA-N -1 3 295.251 1.669 20 30 CDEDHM C=CCCO[N-]C(=O)CCCc1nc(CC)no1 ZINC000856030570 734220555 /nfs/dbraw/zinc/22/05/55/734220555.db2.gz IWDZZJNRLYHFDC-UHFFFAOYSA-N -1 3 253.302 1.579 20 30 CDEDHM N#CC1(COC(=O)c2cc(F)cc3[n-]nnc32)CCC1 ZINC000837704087 734234933 /nfs/dbraw/zinc/23/49/33/734234933.db2.gz GMQFJICFYOBFEH-UHFFFAOYSA-N -1 3 274.255 1.948 20 30 CDEDHM N#CC1(COC(=O)c2cc(F)cc3nn[n-]c32)CCC1 ZINC000837704087 734234936 /nfs/dbraw/zinc/23/49/36/734234936.db2.gz GMQFJICFYOBFEH-UHFFFAOYSA-N -1 3 274.255 1.948 20 30 CDEDHM N#CC1(COC(=O)c2cc(F)cc3n[n-]nc32)CCC1 ZINC000837704087 734234939 /nfs/dbraw/zinc/23/49/39/734234939.db2.gz GMQFJICFYOBFEH-UHFFFAOYSA-N -1 3 274.255 1.948 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000854699389 734316771 /nfs/dbraw/zinc/31/67/71/734316771.db2.gz WKRICRVIBLTNIA-HNNXBMFYSA-N -1 3 274.320 1.882 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1CCCc2sccc21 ZINC000848137069 734344542 /nfs/dbraw/zinc/34/45/42/734344542.db2.gz XXCRAIBNHJOVGH-WDEREUQCSA-N -1 3 294.376 1.664 20 30 CDEDHM CC(C)(O)CO[N-]C(=O)C[C@H](CC#N)c1ccccc1 ZINC000839745144 734411039 /nfs/dbraw/zinc/41/10/39/734411039.db2.gz MOLZWNQUOJVSBI-ZDUSSCGKSA-N -1 3 276.336 1.893 20 30 CDEDHM C[C@@H]1C(=O)N(N=Cc2c(F)ccc([O-])c2F)C(=O)N1C ZINC000857216321 734435144 /nfs/dbraw/zinc/43/51/44/734435144.db2.gz QBQIHSNEXAWZNL-ZCFIWIBFSA-N -1 3 283.234 1.287 20 30 CDEDHM CC#CCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823937307 734620094 /nfs/dbraw/zinc/62/00/94/734620094.db2.gz RAEAJAVCMVHPPA-UHFFFAOYSA-N -1 3 270.296 1.402 20 30 CDEDHM CC#CCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823937307 734620099 /nfs/dbraw/zinc/62/00/99/734620099.db2.gz RAEAJAVCMVHPPA-UHFFFAOYSA-N -1 3 270.296 1.402 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccc(-n2cccc2)c1 ZINC000816755218 734686576 /nfs/dbraw/zinc/68/65/76/734686576.db2.gz VUXLUIUKIZXMRB-AWEZNQCLSA-N -1 3 299.330 1.587 20 30 CDEDHM C=C[C@H](C)ONC(=O)c1cc2c(cc1[O-])OCO2 ZINC000846551165 734809773 /nfs/dbraw/zinc/80/97/73/734809773.db2.gz XLYKRZWLYGJQDQ-ZETCQYMHSA-N -1 3 251.238 1.357 20 30 CDEDHM C#CCCCCNC(=O)c1nnc2ccccc2c1[O-] ZINC000156036889 734810784 /nfs/dbraw/zinc/81/07/84/734810784.db2.gz FGRGKWWPCDVDPB-UHFFFAOYSA-N -1 3 269.304 1.456 20 30 CDEDHM O=C(CCc1ccc(Cl)cc1)N[C@H]1CCCN([O-])C1=O ZINC000816753219 734814577 /nfs/dbraw/zinc/81/45/77/734814577.db2.gz BXKCJEKMDNXXOG-LBPRGKRZSA-N -1 3 296.754 1.769 20 30 CDEDHM Cc1ccnc(N[C@H]2CCC[C@H]2C#N)c1-c1nnn[n-]1 ZINC000826312613 734820390 /nfs/dbraw/zinc/82/03/90/734820390.db2.gz JWVUYDUDQKWBQY-UWVGGRQHSA-N -1 3 269.312 1.674 20 30 CDEDHM Cc1ccnc(N[C@H]2CCC[C@H]2C#N)c1-c1nn[n-]n1 ZINC000826312613 734820391 /nfs/dbraw/zinc/82/03/91/734820391.db2.gz JWVUYDUDQKWBQY-UWVGGRQHSA-N -1 3 269.312 1.674 20 30 CDEDHM C#CC[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)C(=O)OC ZINC000837947587 734824725 /nfs/dbraw/zinc/82/47/25/734824725.db2.gz PXOJRLXACLQCEI-JTQLQIEISA-N -1 3 296.273 1.163 20 30 CDEDHM O=C(Cc1cc2ccccc2o1)N[C@H]1CCCN([O-])C1=O ZINC000848139112 734834881 /nfs/dbraw/zinc/83/48/81/734834881.db2.gz 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ZINC001588603784 1173089145 /nfs/dbraw/zinc/08/91/45/1173089145.db2.gz VVXUULDTHGFYJV-UHFFFAOYSA-N -1 3 257.297 1.515 20 30 CDEDHM C=CCCN(C)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588603784 1173089152 /nfs/dbraw/zinc/08/91/52/1173089152.db2.gz VVXUULDTHGFYJV-UHFFFAOYSA-N -1 3 257.297 1.515 20 30 CDEDHM C=CCN(CC=C)C(=O)c1sccc1-c1nnn[n-]1 ZINC001588631576 1173094455 /nfs/dbraw/zinc/09/44/55/1173094455.db2.gz ICEJGNQPMYDLHN-UHFFFAOYSA-N -1 3 275.337 1.742 20 30 CDEDHM C=CCN(CC=C)C(=O)c1sccc1-c1nn[n-]n1 ZINC001588631576 1173094459 /nfs/dbraw/zinc/09/44/59/1173094459.db2.gz ICEJGNQPMYDLHN-UHFFFAOYSA-N -1 3 275.337 1.742 20 30 CDEDHM CC(=O)C(C)=NOCc1cccc(-c2nnn[n-]2)c1 ZINC001588782834 1173108040 /nfs/dbraw/zinc/10/80/40/1173108040.db2.gz XWNPWJGYIGDMDX-UHFFFAOYSA-N -1 3 259.269 1.348 20 30 CDEDHM CC(=O)C(C)=NOCc1cccc(-c2nn[n-]n2)c1 ZINC001588782834 1173108045 /nfs/dbraw/zinc/10/80/45/1173108045.db2.gz XWNPWJGYIGDMDX-UHFFFAOYSA-N -1 3 259.269 1.348 20 30 CDEDHM CC(C)(C#N)CCCOC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001589034388 1173120422 /nfs/dbraw/zinc/12/04/22/1173120422.db2.gz YVUFUSZZCQVCBV-UHFFFAOYSA-N -1 3 288.311 1.682 20 30 CDEDHM CC(C)(C#N)CCCOC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001589034388 1173120424 /nfs/dbraw/zinc/12/04/24/1173120424.db2.gz YVUFUSZZCQVCBV-UHFFFAOYSA-N -1 3 288.311 1.682 20 30 CDEDHM CC(C)(NCCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589322193 1173136301 /nfs/dbraw/zinc/13/63/01/1173136301.db2.gz VTDUFMIXBSIORB-UHFFFAOYSA-N -1 3 256.313 1.605 20 30 CDEDHM CC(Cn1cccn1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001589904038 1173202033 /nfs/dbraw/zinc/20/20/33/1173202033.db2.gz IWQBTFPMFFDXBF-UHFFFAOYSA-N -1 3 282.311 1.551 20 30 CDEDHM CC(Cn1cccn1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001589904038 1173202038 /nfs/dbraw/zinc/20/20/38/1173202038.db2.gz IWQBTFPMFFDXBF-UHFFFAOYSA-N -1 3 282.311 1.551 20 30 CDEDHM C[C@@H](NC(=O)CCCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589921589 1173207462 /nfs/dbraw/zinc/20/74/62/1173207462.db2.gz FEWACPXTRMIIIW-SNVBAGLBSA-N -1 3 284.323 1.738 20 30 CDEDHM C[C@@H](NC(=O)CCCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589921589 1173207466 /nfs/dbraw/zinc/20/74/66/1173207466.db2.gz FEWACPXTRMIIIW-SNVBAGLBSA-N -1 3 284.323 1.738 20 30 CDEDHM CCCCN(O)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590602218 1173471593 /nfs/dbraw/zinc/47/15/93/1173471593.db2.gz WTKNWKOLNWVETG-UHFFFAOYSA-N -1 3 261.285 1.498 20 30 CDEDHM CCCCN(O)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590602218 1173471597 /nfs/dbraw/zinc/47/15/97/1173471597.db2.gz WTKNWKOLNWVETG-UHFFFAOYSA-N -1 3 261.285 1.498 20 30 CDEDHM CN(C(=O)c1ccc(C#N)o1)c1cc(-c2nnn[n-]2)ccn1 ZINC001590993208 1173557809 /nfs/dbraw/zinc/55/78/09/1173557809.db2.gz RXMNZGYBCBOALE-UHFFFAOYSA-N -1 3 295.262 1.003 20 30 CDEDHM CN(C(=O)c1ccc(C#N)o1)c1cc(-c2nn[n-]n2)ccn1 ZINC001590993208 1173557814 /nfs/dbraw/zinc/55/78/14/1173557814.db2.gz RXMNZGYBCBOALE-UHFFFAOYSA-N -1 3 295.262 1.003 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C[C@H](C#N)CCC#N ZINC001591134962 1173573933 /nfs/dbraw/zinc/57/39/33/1173573933.db2.gz GJQNHMNCEPZAOX-ZDUSSCGKSA-N -1 3 295.350 1.742 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](C#N)CCC#N ZINC001591134962 1173573939 /nfs/dbraw/zinc/57/39/39/1173573939.db2.gz GJQNHMNCEPZAOX-ZDUSSCGKSA-N -1 3 295.350 1.742 20 30 CDEDHM CO[C@@H]1CC[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591349799 1173623641 /nfs/dbraw/zinc/62/36/41/1173623641.db2.gz CDCGWDNPUSXHAA-GHMZBOCLSA-N -1 3 284.323 1.718 20 30 CDEDHM CO[C@@H]1CC[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591349799 1173623646 /nfs/dbraw/zinc/62/36/46/1173623646.db2.gz CDCGWDNPUSXHAA-GHMZBOCLSA-N -1 3 284.323 1.718 20 30 CDEDHM COCC(C)(C)C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001591367900 1173631808 /nfs/dbraw/zinc/63/18/08/1173631808.db2.gz CGLFUDSGCDUGBV-UHFFFAOYSA-N -1 3 288.355 1.615 20 30 CDEDHM COCC(C)(C)C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001591367900 1173631820 /nfs/dbraw/zinc/63/18/20/1173631820.db2.gz CGLFUDSGCDUGBV-UHFFFAOYSA-N -1 3 288.355 1.615 20 30 CDEDHM Cc1c(C(=O)NCC(C)(C)CC#N)cccc1-c1nnn[n-]1 ZINC001591808170 1173706534 /nfs/dbraw/zinc/70/65/34/1173706534.db2.gz SYBYHESQRPXZFH-UHFFFAOYSA-N -1 3 298.350 1.845 20 30 CDEDHM Cc1c(C(=O)NCC(C)(C)CC#N)cccc1-c1nn[n-]n1 ZINC001591808170 1173706541 /nfs/dbraw/zinc/70/65/41/1173706541.db2.gz SYBYHESQRPXZFH-UHFFFAOYSA-N -1 3 298.350 1.845 20 30 CDEDHM Cc1c(NC(=O)N[C@@H](C)CC#N)cccc1-c1nnn[n-]1 ZINC001591826425 1173710096 /nfs/dbraw/zinc/71/00/96/1173710096.db2.gz QNIPRZXCHGJCKJ-QMMMGPOBSA-N -1 3 285.311 1.599 20 30 CDEDHM Cc1c(NC(=O)N[C@@H](C)CC#N)cccc1-c1nn[n-]n1 ZINC001591826425 1173710100 /nfs/dbraw/zinc/71/01/00/1173710100.db2.gz QNIPRZXCHGJCKJ-QMMMGPOBSA-N -1 3 285.311 1.599 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NNCC(F)(F)F ZINC001591840711 1173714293 /nfs/dbraw/zinc/71/42/93/1173714293.db2.gz KUYCONDSNNOXFU-UHFFFAOYSA-N -1 3 298.272 1.969 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NNCC(F)(F)F ZINC001591840711 1173714299 /nfs/dbraw/zinc/71/42/99/1173714299.db2.gz KUYCONDSNNOXFU-UHFFFAOYSA-N -1 3 298.272 1.969 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC1(C#N)CCC1 ZINC001591863746 1173724741 /nfs/dbraw/zinc/72/47/41/1173724741.db2.gz YLHWGONXJLGADK-UHFFFAOYSA-N -1 3 296.334 1.599 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC1(C#N)CCC1 ZINC001591863746 1173724750 /nfs/dbraw/zinc/72/47/50/1173724750.db2.gz YLHWGONXJLGADK-UHFFFAOYSA-N -1 3 296.334 1.599 20 30 CDEDHM Cc1cc(S(=O)(=O)CCCC#N)ccc1-c1nnn[n-]1 ZINC001592063645 1173790959 /nfs/dbraw/zinc/79/09/59/1173790959.db2.gz RKPRWQVBQIRNHF-UHFFFAOYSA-N -1 3 291.336 1.253 20 30 CDEDHM Cc1cc(S(=O)(=O)CCCC#N)ccc1-c1nn[n-]n1 ZINC001592063645 1173790964 /nfs/dbraw/zinc/79/09/64/1173790964.db2.gz RKPRWQVBQIRNHF-UHFFFAOYSA-N -1 3 291.336 1.253 20 30 CDEDHM Cc1cc(SC[C@H](O)CC#N)ccc1-c1nnn[n-]1 ZINC001592067210 1173793987 /nfs/dbraw/zinc/79/39/87/1173793987.db2.gz RHPGRUVCEOWNLL-SECBINFHSA-N -1 3 275.337 1.542 20 30 CDEDHM Cc1cc(SC[C@H](O)CC#N)ccc1-c1nn[n-]n1 ZINC001592067210 1173793990 /nfs/dbraw/zinc/79/39/90/1173793990.db2.gz RHPGRUVCEOWNLL-SECBINFHSA-N -1 3 275.337 1.542 20 30 CDEDHM Cc1n[nH]cc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001592331364 1173857979 /nfs/dbraw/zinc/85/79/79/1173857979.db2.gz BZXMOBDACGGZBI-UHFFFAOYSA-N -1 3 268.284 1.344 20 30 CDEDHM Cc1nnc(N[C@@H]2CC[C@H](C#N)C2)c(-c2nnn[n-]2)c1C ZINC001592449717 1173893373 /nfs/dbraw/zinc/89/33/73/1173893373.db2.gz VLRJNFYKLWXRLI-VHSXEESVSA-N -1 3 284.327 1.378 20 30 CDEDHM Cc1nnc(N[C@@H]2CC[C@H](C#N)C2)c(-c2nn[n-]n2)c1C ZINC001592449717 1173893384 /nfs/dbraw/zinc/89/33/84/1173893384.db2.gz VLRJNFYKLWXRLI-VHSXEESVSA-N -1 3 284.327 1.378 20 30 CDEDHM O=C1CCCN1N=CCCc1ccc(-c2nnn[n-]2)cc1 ZINC001593394650 1174076007 /nfs/dbraw/zinc/07/60/07/1174076007.db2.gz LUXMPARRRMNYLP-UHFFFAOYSA-N -1 3 284.323 1.408 20 30 CDEDHM O=C1CCCN1N=CCCc1ccc(-c2nn[n-]n2)cc1 ZINC001593394650 1174076014 /nfs/dbraw/zinc/07/60/14/1174076014.db2.gz LUXMPARRRMNYLP-UHFFFAOYSA-N -1 3 284.323 1.408 20 30 CDEDHM N#Cc1cnn2cc(CN3CCC[C@H]3CC(=O)[O-])cnc12 ZINC001601131163 1174756376 /nfs/dbraw/zinc/75/63/76/1174756376.db2.gz SBIBFGDYQOVIEY-LBPRGKRZSA-N -1 3 285.307 1.040 20 30 CDEDHM N#Cc1nc(C(=O)[O-])ccc1N[C@@H]1CCN(C2CC2)C1 ZINC001601133035 1174758104 /nfs/dbraw/zinc/75/81/04/1174758104.db2.gz KQSXODUHJFUTBO-SECBINFHSA-N -1 3 272.308 1.300 20 30 CDEDHM C#CC1(NC(=O)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001602690334 1175354359 /nfs/dbraw/zinc/35/43/59/1175354359.db2.gz BTSZSDZLPLZQBU-UHFFFAOYSA-N -1 3 297.322 1.329 20 30 CDEDHM C#CC1(NC(=O)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001602690334 1175354365 /nfs/dbraw/zinc/35/43/65/1175354365.db2.gz BTSZSDZLPLZQBU-UHFFFAOYSA-N -1 3 297.322 1.329 20 30 CDEDHM C#CC[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2C(C)=O)C1 ZINC001602703361 1175366980 /nfs/dbraw/zinc/36/69/80/1175366980.db2.gz OOSIWGNBPAJXOW-GFCCVEGCSA-N -1 3 295.346 1.919 20 30 CDEDHM C#CC[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2C(C)=O)C1 ZINC001602703361 1175366987 /nfs/dbraw/zinc/36/69/87/1175366987.db2.gz OOSIWGNBPAJXOW-GFCCVEGCSA-N -1 3 295.346 1.919 20 30 CDEDHM C=CCN(C)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001602847283 1175431704 /nfs/dbraw/zinc/43/17/04/1175431704.db2.gz NOQPXXLMKSSDSS-UHFFFAOYSA-N -1 3 264.314 1.578 20 30 CDEDHM C=CCN(C)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001602847283 1175431708 /nfs/dbraw/zinc/43/17/08/1175431708.db2.gz NOQPXXLMKSSDSS-UHFFFAOYSA-N -1 3 264.314 1.578 20 30 CDEDHM C=CCONC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001602870826 1175440573 /nfs/dbraw/zinc/44/05/73/1175440573.db2.gz PAHWBJQHZAXNLM-UHFFFAOYSA-N -1 3 278.247 1.245 20 30 CDEDHM CC(=NN[C@H]1CCSC1)c1cccc(-c2nnn[n-]2)c1 ZINC001602906206 1175448251 /nfs/dbraw/zinc/44/82/51/1175448251.db2.gz IADYWYNOTRDKNF-LBPRGKRZSA-N -1 3 288.380 1.686 20 30 CDEDHM C[C@H](C#N)OC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001602989429 1175473131 /nfs/dbraw/zinc/47/31/31/1175473131.db2.gz REFLLEFAQDVBHP-ZCFIWIBFSA-N -1 3 277.671 1.589 20 30 CDEDHM C[C@H](C#N)OC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001602989429 1175473136 /nfs/dbraw/zinc/47/31/36/1175473136.db2.gz REFLLEFAQDVBHP-ZCFIWIBFSA-N -1 3 277.671 1.589 20 30 CDEDHM CC(C)OC1CN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001603347200 1175544983 /nfs/dbraw/zinc/54/49/83/1175544983.db2.gz LDYGKKFRPNFQGE-UHFFFAOYSA-N -1 3 284.323 1.352 20 30 CDEDHM CC(C)OC1CN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001603347200 1175544988 /nfs/dbraw/zinc/54/49/88/1175544988.db2.gz LDYGKKFRPNFQGE-UHFFFAOYSA-N -1 3 284.323 1.352 20 30 CDEDHM CC(C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001603379146 1175549038 /nfs/dbraw/zinc/54/90/38/1175549038.db2.gz KJPQASRGNHLWCA-UHFFFAOYSA-N -1 3 261.314 1.216 20 30 CDEDHM CC(C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001603379146 1175549048 /nfs/dbraw/zinc/54/90/48/1175549048.db2.gz KJPQASRGNHLWCA-UHFFFAOYSA-N -1 3 261.314 1.216 20 30 CDEDHM C[C@H](CC#N)NC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001603441677 1175554397 /nfs/dbraw/zinc/55/43/97/1175554397.db2.gz BPXCYFRLGXJWOC-SNVBAGLBSA-N -1 3 298.350 1.563 20 30 CDEDHM C[C@H](CC#N)NC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001603441677 1175554404 /nfs/dbraw/zinc/55/44/04/1175554404.db2.gz BPXCYFRLGXJWOC-SNVBAGLBSA-N -1 3 298.350 1.563 20 30 CDEDHM C[C@@H](F)CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603599670 1175575723 /nfs/dbraw/zinc/57/57/23/1175575723.db2.gz WXJRXXMOJGWQSF-MRVPVSSYSA-N -1 3 260.276 1.898 20 30 CDEDHM C[C@@H](F)CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603599670 1175575729 /nfs/dbraw/zinc/57/57/29/1175575729.db2.gz WXJRXXMOJGWQSF-MRVPVSSYSA-N -1 3 260.276 1.898 20 30 CDEDHM C[C@@H]1C[C@@H]1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001603873354 1175664833 /nfs/dbraw/zinc/66/48/33/1175664833.db2.gz YAJCVKLYPUWHKF-HTRCEHHLSA-N -1 3 287.352 1.464 20 30 CDEDHM C[C@@H]1C[C@@H]1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001603873354 1175664838 /nfs/dbraw/zinc/66/48/38/1175664838.db2.gz YAJCVKLYPUWHKF-HTRCEHHLSA-N -1 3 287.352 1.464 20 30 CDEDHM CC[C@@H](C#N)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001603978364 1175705114 /nfs/dbraw/zinc/70/51/14/1175705114.db2.gz ZDDUISSYTFMPPB-VIFPVBQESA-N -1 3 270.296 1.663 20 30 CDEDHM CC[C@@H](C#N)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001603978364 1175705121 /nfs/dbraw/zinc/70/51/21/1175705121.db2.gz ZDDUISSYTFMPPB-VIFPVBQESA-N -1 3 270.296 1.663 20 30 CDEDHM CC[C@H](C)NN=C(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001604008232 1175720414 /nfs/dbraw/zinc/72/04/14/1175720414.db2.gz WNMNQOIKEDNTJL-VIFPVBQESA-N -1 3 258.329 1.979 20 30 CDEDHM CC[C@H](C)NN=C(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001604008232 1175720418 /nfs/dbraw/zinc/72/04/18/1175720418.db2.gz WNMNQOIKEDNTJL-VIFPVBQESA-N -1 3 258.329 1.979 20 30 CDEDHM CC[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001604111155 1175768974 /nfs/dbraw/zinc/76/89/74/1175768974.db2.gz AVQCVJQZSHOYSY-CMPLNLGQSA-N -1 3 298.350 1.742 20 30 CDEDHM CC[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001604111155 1175768978 /nfs/dbraw/zinc/76/89/78/1175768978.db2.gz AVQCVJQZSHOYSY-CMPLNLGQSA-N -1 3 298.350 1.742 20 30 CDEDHM N#CCS(=O)(=O)[N-]c1c(F)cccc1Br ZINC000232130335 1178185807 /nfs/dbraw/zinc/18/58/07/1178185807.db2.gz FZZIHEZOQPGJCS-UHFFFAOYSA-N -1 3 293.117 1.853 20 30 CDEDHM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)n1C)C(C)C ZINC001609056209 1164748848 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296.212 1.651 20 30 CDEDHM Cc1cc(C#N)cnc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000549931939 392642858 /nfs/dbraw/zinc/64/28/58/392642858.db2.gz JIWOVFWUTIZKLG-UHFFFAOYSA-N -1 3 296.212 1.651 20 30 CDEDHM CO[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000527483918 392980614 /nfs/dbraw/zinc/98/06/14/392980614.db2.gz XWXQFXUNTYSWFF-QMMMGPOBSA-N -1 3 272.301 1.011 20 30 CDEDHM CC(C)(CO)O[N-]C(=O)/C=C/c1cccc(C#N)c1 ZINC000493862839 393223041 /nfs/dbraw/zinc/22/30/41/393223041.db2.gz ZATOYWSKBVOOLU-VOTSOKGWSA-N -1 3 260.293 1.390 20 30 CDEDHM N#Cc1ccc(C(=O)NCCN2CCCCCC2)cc1[O-] ZINC000188286674 140091001 /nfs/dbraw/zinc/09/10/01/140091001.db2.gz KZKAOCHXDJLTLM-UHFFFAOYSA-N -1 3 287.363 1.870 20 30 CDEDHM Cc1ccc([O-])c(NC(=O)c2ccnc(C#N)c2)n1 ZINC000194355546 140148874 /nfs/dbraw/zinc/14/88/74/140148874.db2.gz CHLWRFBUKQTGLS-UHFFFAOYSA-N -1 3 254.249 1.615 20 30 CDEDHM CCC1(C[N-]S(=O)(=O)c2cccnc2C#N)CCC1 ZINC000233078804 140225407 /nfs/dbraw/zinc/22/54/07/140225407.db2.gz TXYQDOGUFKHQDM-UHFFFAOYSA-N -1 3 279.365 1.812 20 30 CDEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)C(C)(F)F ZINC000335657222 397955606 /nfs/dbraw/zinc/95/56/06/397955606.db2.gz OQPRCNIDAVUWKW-QMMMGPOBSA-N -1 3 274.292 1.880 20 30 CDEDHM Cc1cc(C(=O)NCc2cc(C#N)ccc2F)[n-]c(=O)n1 ZINC000361882949 159008507 /nfs/dbraw/zinc/00/85/07/159008507.db2.gz OYEKPYAOXVKQBZ-UHFFFAOYSA-N -1 3 286.266 1.431 20 30 CDEDHM C#CCCCOC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588345663 1173043527 /nfs/dbraw/zinc/04/35/27/1173043527.db2.gz NZNOQESMSXOAQY-UHFFFAOYSA-N -1 3 270.292 1.745 20 30 CDEDHM C#CCCCOC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588345663 1173043534 /nfs/dbraw/zinc/04/35/34/1173043534.db2.gz NZNOQESMSXOAQY-UHFFFAOYSA-N -1 3 270.292 1.745 20 30 CDEDHM C#CCN(CC#N)Cc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588350433 1173050533 /nfs/dbraw/zinc/05/05/33/1173050533.db2.gz VZHYKPNHMGWODY-UHFFFAOYSA-N -1 3 286.726 1.479 20 30 CDEDHM C=C(C)CNC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588430154 1173064163 /nfs/dbraw/zinc/06/41/63/1173064163.db2.gz MZVDENGTHHTQJX-UHFFFAOYSA-N -1 3 261.260 1.312 20 30 CDEDHM C=C(C)CNC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588430154 1173064169 /nfs/dbraw/zinc/06/41/69/1173064169.db2.gz MZVDENGTHHTQJX-UHFFFAOYSA-N -1 3 261.260 1.312 20 30 CDEDHM C=C(CC)C(=O)NOc1cccc(-c2nnn[n-]2)c1 ZINC001588443184 1173064743 /nfs/dbraw/zinc/06/47/43/1173064743.db2.gz VLRVGEIGYGJZPV-UHFFFAOYSA-N -1 3 259.269 1.243 20 30 CDEDHM C=C(CC)C(=O)NOc1cccc(-c2nn[n-]n2)c1 ZINC001588443184 1173064748 /nfs/dbraw/zinc/06/47/48/1173064748.db2.gz VLRVGEIGYGJZPV-UHFFFAOYSA-N -1 3 259.269 1.243 20 30 CDEDHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(C#N)cc1F ZINC000044622366 175220905 /nfs/dbraw/zinc/22/09/05/175220905.db2.gz ILTCFEJJNTZKSY-LBPRGKRZSA-N -1 3 250.273 1.992 20 30 CDEDHM C=CC(C)(C)COC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001588487816 1173068590 /nfs/dbraw/zinc/06/85/90/1173068590.db2.gz BKHXKZITMSPQFE-UHFFFAOYSA-N -1 3 275.312 1.872 20 30 CDEDHM C=CC(C)(C)COC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001588487816 1173068596 /nfs/dbraw/zinc/06/85/96/1173068596.db2.gz BKHXKZITMSPQFE-UHFFFAOYSA-N -1 3 275.312 1.872 20 30 CDEDHM C=C[C@H](CC)OC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588526554 1173074209 /nfs/dbraw/zinc/07/42/09/1173074209.db2.gz YNNBMAHOFRJHPG-SNVBAGLBSA-N -1 3 288.307 1.997 20 30 CDEDHM C=C[C@H](CC)OC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588526554 1173074215 /nfs/dbraw/zinc/07/42/15/1173074215.db2.gz YNNBMAHOFRJHPG-SNVBAGLBSA-N -1 3 288.307 1.997 20 30 CDEDHM C=CCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588626564 1173091975 /nfs/dbraw/zinc/09/19/75/1173091975.db2.gz KNZHHVDTZKOZKI-UHFFFAOYSA-N -1 3 258.285 1.516 20 30 CDEDHM C=CCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588626564 1173091985 /nfs/dbraw/zinc/09/19/85/1173091985.db2.gz KNZHHVDTZKOZKI-UHFFFAOYSA-N -1 3 258.285 1.516 20 30 CDEDHM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1ccncn1 ZINC000354467917 227004084 /nfs/dbraw/zinc/00/40/84/227004084.db2.gz OQHHBJSPVBHXFL-LLVKDONJSA-N -1 3 281.275 1.457 20 30 CDEDHM CC(C)[C@@](C)(C#N)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001589419607 1173143326 /nfs/dbraw/zinc/14/33/26/1173143326.db2.gz SWNBDDCJTFFHAS-GFCCVEGCSA-N -1 3 290.352 1.596 20 30 CDEDHM N#CCCN(CCN1CCOCC1)Cc1ccccc1[O-] ZINC000154805113 261095377 /nfs/dbraw/zinc/09/53/77/261095377.db2.gz SOVHRKYTLHMTNU-UHFFFAOYSA-N -1 3 289.379 1.440 20 30 CDEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1sccc1OC ZINC000160813764 261227191 /nfs/dbraw/zinc/22/71/91/261227191.db2.gz ZYIMTEOSGNDODZ-ZETCQYMHSA-N -1 3 260.340 1.337 20 30 CDEDHM CCN(C[C@@H](C)C#N)[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000249919118 261260879 /nfs/dbraw/zinc/26/08/79/261260879.db2.gz YHAKXIUIMOMEJQ-GXSJLCMTSA-N -1 3 264.329 1.792 20 30 CDEDHM CC#CCNC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000361542551 261326119 /nfs/dbraw/zinc/32/61/19/261326119.db2.gz DLNMFDHMVSHBJI-UHFFFAOYSA-N -1 3 254.289 1.590 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)[C@H](C)CNC(=O)OC(C)(C)C ZINC000497215043 262108933 /nfs/dbraw/zinc/10/89/33/262108933.db2.gz PMLCYGRQCMFPCI-NXEZZACHSA-N -1 3 272.345 1.770 20 30 CDEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccoc1 ZINC000285002375 263089167 /nfs/dbraw/zinc/08/91/67/263089167.db2.gz GFWXEBIFMWWCFX-NSHDSACASA-N -1 3 256.327 1.886 20 30 CDEDHM N#CC[C@@H](O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000287614305 263102388 /nfs/dbraw/zinc/10/23/88/263102388.db2.gz TYKPSYXDHRTKRQ-MRVPVSSYSA-N -1 3 261.310 1.233 20 30 CDEDHM CC[C@H](C/N=C/c1c([O-])c(C)ncc1CO)OC ZINC000290612126 263117683 /nfs/dbraw/zinc/11/76/83/263117683.db2.gz SOTSOQCJNDKMJA-LLUUXILJSA-N -1 3 252.314 1.432 20 30 CDEDHM C[C@H]1[C@@H](/N=C/c2ccccc2[O-])CCS1(=O)=O ZINC000292262509 263130296 /nfs/dbraw/zinc/13/02/96/263130296.db2.gz FXMNQEFBQGMXRL-YJQMCFEWSA-N -1 3 253.323 1.387 20 30 CDEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCOC2)c1[O-] ZINC000298430892 263219269 /nfs/dbraw/zinc/21/92/69/263219269.db2.gz RBXYUIBIULXSDA-XPWNQWCVSA-N -1 3 250.298 1.043 20 30 CDEDHM CC[C@H](C#N)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001590367869 1173377715 /nfs/dbraw/zinc/37/77/15/1173377715.db2.gz ZYSJHJPJPRFSLS-MRVPVSSYSA-N -1 3 288.286 1.803 20 30 CDEDHM CC[C@H](C#N)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001590367869 1173377723 /nfs/dbraw/zinc/37/77/23/1173377723.db2.gz ZYSJHJPJPRFSLS-MRVPVSSYSA-N -1 3 288.286 1.803 20 30 CDEDHM CC[C@@H](CC#N)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590419037 1173402784 /nfs/dbraw/zinc/40/27/84/1173402784.db2.gz ANYLCVGXFNQTMH-ZETCQYMHSA-N -1 3 288.271 1.274 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCF ZINC000154312956 289201549 /nfs/dbraw/zinc/20/15/49/289201549.db2.gz IVCHAOLBQRVGDG-UHFFFAOYSA-N -1 3 279.315 1.272 20 30 CDEDHM Cn1nc([N-]c2ncc(C#N)cc2F)cc1C1CC1 ZINC000560842814 293037010 /nfs/dbraw/zinc/03/70/10/293037010.db2.gz FPTSUWYANKUWTL-UHFFFAOYSA-N -1 3 257.272 1.869 20 30 CDEDHM CN(c1ncccc1-c1nnn[n-]1)[C@@H]1CCC[C@@H]1C#N ZINC001591160918 1173584980 /nfs/dbraw/zinc/58/49/80/1173584980.db2.gz RVZHVWXJPQGCOF-MWLCHTKSSA-N -1 3 269.312 1.390 20 30 CDEDHM CN(c1ncccc1-c1nn[n-]n1)[C@@H]1CCC[C@@H]1C#N ZINC001591160918 1173584984 /nfs/dbraw/zinc/58/49/84/1173584984.db2.gz RVZHVWXJPQGCOF-MWLCHTKSSA-N -1 3 269.312 1.390 20 30 CDEDHM CSCCON=C(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001591701213 1173689370 /nfs/dbraw/zinc/68/93/70/1173689370.db2.gz HOJDLOHTAOGDON-UHFFFAOYSA-N -1 3 278.341 1.365 20 30 CDEDHM CSCCON=C(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001591701213 1173689374 /nfs/dbraw/zinc/68/93/74/1173689374.db2.gz HOJDLOHTAOGDON-UHFFFAOYSA-N -1 3 278.341 1.365 20 30 CDEDHM N#C[C@@H]1CC[C@H](N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000278620821 328228609 /nfs/dbraw/zinc/22/86/09/328228609.db2.gz NFGZFAAJFMKNQQ-KGLIPLIRSA-N -1 3 299.374 1.842 20 30 CDEDHM COC(=O)c1cnc(S[C@H]2CC[C@H](C#N)C2)[n-]1 ZINC000287497786 328251482 /nfs/dbraw/zinc/25/14/82/328251482.db2.gz KDLJPBUZABVHJM-YUMQZZPRSA-N -1 3 251.311 1.981 20 30 CDEDHM N#CCCN(CCC#N)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448768006 330883218 /nfs/dbraw/zinc/88/32/18/330883218.db2.gz BKJJDTOKHDWUIL-UHFFFAOYSA-N -1 3 275.283 1.730 20 30 CDEDHM C=CCC[C@H]([N-]S(=O)(=O)C[C@@H](C)CC)C(=O)OCC ZINC000451986661 331049579 /nfs/dbraw/zinc/04/95/79/331049579.db2.gz FPRTXZFLQWPRMZ-RYUDHWBXSA-N -1 3 291.413 1.850 20 30 CDEDHM C=CCn1cccc1C([O-])=C(C#N)c1ccncn1 ZINC000488695318 332021791 /nfs/dbraw/zinc/02/17/91/332021791.db2.gz RCQMLBFGPQUVIN-NSHDSACASA-N -1 3 252.277 1.954 20 30 CDEDHM C#CCNC(=O)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000491673272 332279574 /nfs/dbraw/zinc/27/95/74/332279574.db2.gz VJZCEMDHXXBBDC-UHFFFAOYSA-N -1 3 290.338 1.493 20 30 CDEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000233295284 333350902 /nfs/dbraw/zinc/35/09/02/333350902.db2.gz ATNZDULUJNUWLA-JTQLQIEISA-N -1 3 282.321 1.675 20 30 CDEDHM C=C(C)COCC[N-]S(=O)(=O)c1c(C)noc1C ZINC000125754489 333571793 /nfs/dbraw/zinc/57/17/93/333571793.db2.gz LLWLHKZPSSGFTQ-UHFFFAOYSA-N -1 3 274.342 1.162 20 30 CDEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000175167447 335176529 /nfs/dbraw/zinc/17/65/29/335176529.db2.gz JUCBNMWHKMAQHE-LURJTMIESA-N -1 3 278.255 1.542 20 30 CDEDHM C=C(C)C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000336098351 526624857 /nfs/dbraw/zinc/62/48/57/526624857.db2.gz CBLIYPGZNYARQF-UHFFFAOYSA-N -1 3 291.170 1.699 20 30 CDEDHM C=C(C)COCCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000354985962 526650123 /nfs/dbraw/zinc/65/01/23/526650123.db2.gz VIANJEBTRNARDK-UHFFFAOYSA-N -1 3 286.335 1.794 20 30 CDEDHM CC(C)n1cnc(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)c1 ZINC000331528839 528616950 /nfs/dbraw/zinc/61/69/50/528616950.db2.gz SAKWGCRVODHJOK-GFCCVEGCSA-N -1 3 282.369 1.435 20 30 CDEDHM CC[C@@H](O)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000420721634 535814160 /nfs/dbraw/zinc/81/41/60/535814160.db2.gz DFWXIMGLYHGGFC-MRVPVSSYSA-N -1 3 288.756 1.261 20 30 CDEDHM N#CC1(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000737675126 574482369 /nfs/dbraw/zinc/48/23/69/574482369.db2.gz NDDUPRRPNXTRPA-UHFFFAOYSA-N -1 3 282.307 1.177 20 30 CDEDHM N#CC1(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000737675126 574482370 /nfs/dbraw/zinc/48/23/70/574482370.db2.gz NDDUPRRPNXTRPA-UHFFFAOYSA-N -1 3 282.307 1.177 20 30 CDEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737712157 574704478 /nfs/dbraw/zinc/70/44/78/574704478.db2.gz OLYYQZYBVRDGPC-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737712157 574704479 /nfs/dbraw/zinc/70/44/79/574704479.db2.gz OLYYQZYBVRDGPC-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM C=C(C)CN1CCC(NC(=O)C(C)(C)NC(=O)[O-])CC1 ZINC000736095398 575570335 /nfs/dbraw/zinc/57/03/35/575570335.db2.gz ULXQKQPIRLOALB-UHFFFAOYSA-N -1 3 283.372 1.189 20 30 CDEDHM C[C@@H](/N=C/c1ccc(O)c([O-])c1O)C(=O)OC(C)(C)C ZINC000730951750 575025142 /nfs/dbraw/zinc/02/51/42/575025142.db2.gz PLFZKWVZYRMZCT-BQNBSLLUSA-N -1 3 281.308 1.953 20 30 CDEDHM C=c1[nH]c(=O)[n-]c(=O)c1=C(C)NNc1ccc(F)cn1 ZINC000731321564 575044140 /nfs/dbraw/zinc/04/41/40/575044140.db2.gz KNUGYJPLYWENFH-UHFFFAOYSA-N -1 3 277.259 1.566 20 30 CDEDHM N#Cc1ccc(NC(=O)COC(=O)c2cncc([O-])c2)cc1 ZINC000732391629 575088678 /nfs/dbraw/zinc/08/86/78/575088678.db2.gz KSDXHEYFTWJDCA-UHFFFAOYSA-N -1 3 297.270 1.454 20 30 CDEDHM COc1cc(C=NOC2CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC000774450679 575205858 /nfs/dbraw/zinc/20/58/58/575205858.db2.gz JDOSTHCZRFWXPP-UHFFFAOYSA-N -1 3 296.279 1.839 20 30 CDEDHM COc1ccc(Cn2ccc(C=N[O-])nc2=O)cc1Cl ZINC000763354414 576732088 /nfs/dbraw/zinc/73/20/88/576732088.db2.gz JOAZMVSGRHJOTK-UHFFFAOYSA-N -1 3 293.710 1.762 20 30 CDEDHM N#C[C@@H]1CSCCN1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774641994 575222989 /nfs/dbraw/zinc/22/29/89/575222989.db2.gz DEECQEWZQHYEGJ-ZWNOBZJWSA-N -1 3 292.360 1.259 20 30 CDEDHM COc1ccc(C=NNC(=S)NCCSC)c([O-])c1 ZINC000769603759 575364342 /nfs/dbraw/zinc/36/43/42/575364342.db2.gz ATKRFHGVVGVIAL-UHFFFAOYSA-N -1 3 299.421 1.562 20 30 CDEDHM C=CCN(CC=C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735418916 575466662 /nfs/dbraw/zinc/46/66/62/575466662.db2.gz LQAHNTGAIRBGDQ-UHFFFAOYSA-N -1 3 270.296 1.076 20 30 CDEDHM C=CCN(CC=C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735418916 575466664 /nfs/dbraw/zinc/46/66/64/575466664.db2.gz LQAHNTGAIRBGDQ-UHFFFAOYSA-N -1 3 270.296 1.076 20 30 CDEDHM C#CCN1CCC(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000736079306 575554996 /nfs/dbraw/zinc/55/49/96/575554996.db2.gz KPQHLDDQZLBVAJ-CQSZACIVSA-N -1 3 294.395 1.195 20 30 CDEDHM C=CCN(CC=C)CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000736108971 575565060 /nfs/dbraw/zinc/56/50/60/575565060.db2.gz YLPMSDAKNUZNNP-RAXLEYEMSA-N -1 3 296.392 1.552 20 30 CDEDHM CC(C#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736204185 575589264 /nfs/dbraw/zinc/58/92/64/575589264.db2.gz ZNJIUEOTWGKUCJ-GZMMTYOYSA-N -1 3 264.256 1.617 20 30 CDEDHM CS(=O)(=O)[N-]N=C1CCCC[C@H]1N1CCCCC1 ZINC000764699792 575935046 /nfs/dbraw/zinc/93/50/46/575935046.db2.gz IVBJOALWZLGLAJ-GFCCVEGCSA-N -1 3 273.402 1.320 20 30 CDEDHM N#Cc1cnc(Oc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737727908 576008900 /nfs/dbraw/zinc/00/89/00/576008900.db2.gz FGGTWLWRMWCGLD-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM N#Cc1cnc(Oc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737727908 576008902 /nfs/dbraw/zinc/00/89/02/576008902.db2.gz FGGTWLWRMWCGLD-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM C#CCOc1ccc(C(=O)Nc2nnc(SC)[n-]2)cc1 ZINC000741679192 576567464 /nfs/dbraw/zinc/56/74/64/576567464.db2.gz MOEDEEKQDOOESF-UHFFFAOYSA-N -1 3 288.332 1.791 20 30 CDEDHM C#CCOc1ccc(C(=O)Nc2nc(SC)n[n-]2)cc1 ZINC000741679192 576567466 /nfs/dbraw/zinc/56/74/66/576567466.db2.gz MOEDEEKQDOOESF-UHFFFAOYSA-N -1 3 288.332 1.791 20 30 CDEDHM C#CCOc1ccc(C(=O)Nc2n[n-]c(SC)n2)cc1 ZINC000741679192 576567468 /nfs/dbraw/zinc/56/74/68/576567468.db2.gz MOEDEEKQDOOESF-UHFFFAOYSA-N -1 3 288.332 1.791 20 30 CDEDHM CN1c2ccccc2C(C)(C)C1=CC=NN1CC(=O)[N-]C1=O ZINC000744807302 576698743 /nfs/dbraw/zinc/69/87/43/576698743.db2.gz VMALBVXDXANZLR-LZSYLOPRSA-N -1 3 298.346 1.836 20 30 CDEDHM N#CC1(C(=O)[N-]N2C(=O)c3ccccc3C2=O)CCCCC1 ZINC000763229117 576723935 /nfs/dbraw/zinc/72/39/35/576723935.db2.gz KRBROJRNKWJZIM-UHFFFAOYSA-N -1 3 297.314 1.788 20 30 CDEDHM CC(C)(C)NC(=S)NN=C1C(=O)[N-]c2c1cccc2F ZINC000753954897 576869284 /nfs/dbraw/zinc/86/92/84/576869284.db2.gz IYNIKVIMIKATTK-UHFFFAOYSA-N -1 3 294.355 1.745 20 30 CDEDHM [O-]c1cc2c(cc1C=NO[C@@H]1CCCCO1)OCO2 ZINC000755825590 576963602 /nfs/dbraw/zinc/96/36/02/576963602.db2.gz YKGPYFZCHDMASO-CYBMUJFWSA-N -1 3 265.265 1.998 20 30 CDEDHM C=CCn1nnnc1Sc1nc2ccccc2c(=O)[n-]1 ZINC000750531791 576993921 /nfs/dbraw/zinc/99/39/21/576993921.db2.gz RKUPACYSEPKIGB-UHFFFAOYSA-N -1 3 286.320 1.659 20 30 CDEDHM O=C1[N-]c2c(c(Cl)ccc2F)C1=NNC1CC1 ZINC000758133994 577073809 /nfs/dbraw/zinc/07/38/09/577073809.db2.gz VCVQSBSNFRJENE-UHFFFAOYSA-N -1 3 253.664 1.887 20 30 CDEDHM CCN(Cc1ccc(C#N)cc1F)[C@@H](C)C(=O)[O-] ZINC000707934133 597073276 /nfs/dbraw/zinc/07/32/76/597073276.db2.gz NNVUMFAKCZKXMY-VIFPVBQESA-N -1 3 250.273 1.992 20 30 CDEDHM Cc1c(NC(=O)N(C)C[C@H](C)C#N)cccc1-c1nnn[n-]1 ZINC000822075341 607288698 /nfs/dbraw/zinc/28/86/98/607288698.db2.gz CAPDSRBYXMBAHC-SECBINFHSA-N -1 3 299.338 1.799 20 30 CDEDHM Cc1c(NC(=O)N(C)C[C@H](C)C#N)cccc1-c1nn[n-]n1 ZINC000822075341 607288699 /nfs/dbraw/zinc/28/86/99/607288699.db2.gz CAPDSRBYXMBAHC-SECBINFHSA-N -1 3 299.338 1.799 20 30 CDEDHM C=CCCOCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819740074 607293649 /nfs/dbraw/zinc/29/36/49/607293649.db2.gz NOSJYNJHVDTJNP-UHFFFAOYSA-N -1 3 287.323 1.706 20 30 CDEDHM C=CCCOCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819740074 607293650 /nfs/dbraw/zinc/29/36/50/607293650.db2.gz NOSJYNJHVDTJNP-UHFFFAOYSA-N -1 3 287.323 1.706 20 30 CDEDHM C[C@@H](C#N)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819854233 607323135 /nfs/dbraw/zinc/32/31/35/607323135.db2.gz BDDJZTZAZHYCFM-GFVADAIESA-N -1 3 283.291 1.583 20 30 CDEDHM C[C@@H](C#N)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819854233 607323136 /nfs/dbraw/zinc/32/31/36/607323136.db2.gz BDDJZTZAZHYCFM-GFVADAIESA-N -1 3 283.291 1.583 20 30 CDEDHM CC(C)N(CC(=O)[O-])Cc1ccc(C#N)cc1F ZINC000037994852 598080788 /nfs/dbraw/zinc/08/07/88/598080788.db2.gz OGGPIGPOJOCKFA-UHFFFAOYSA-N -1 3 250.273 1.992 20 30 CDEDHM C=C(C)CCOC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000819722292 599626641 /nfs/dbraw/zinc/62/66/41/599626641.db2.gz GBUZZEXZCLTOMM-UHFFFAOYSA-N -1 3 288.307 1.755 20 30 CDEDHM C#CCN(CC#CC)CCOc1ccccc1-c1nnn[n-]1 ZINC000819698367 599581712 /nfs/dbraw/zinc/58/17/12/599581712.db2.gz XWCIGZUORGEXID-UHFFFAOYSA-N -1 3 295.346 1.204 20 30 CDEDHM C#CCN(CC#CC)CCOc1ccccc1-c1nn[n-]n1 ZINC000819698367 599581714 /nfs/dbraw/zinc/58/17/14/599581714.db2.gz XWCIGZUORGEXID-UHFFFAOYSA-N -1 3 295.346 1.204 20 30 CDEDHM C#C[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000819688553 599625099 /nfs/dbraw/zinc/62/50/99/599625099.db2.gz JQEVBXVJODDHJL-NXEZZACHSA-N -1 3 286.291 1.199 20 30 CDEDHM C#C[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000819688553 599625100 /nfs/dbraw/zinc/62/51/00/599625100.db2.gz JQEVBXVJODDHJL-NXEZZACHSA-N -1 3 286.291 1.199 20 30 CDEDHM CC#CCOC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000819766360 599650934 /nfs/dbraw/zinc/65/09/34/599650934.db2.gz XPKSPVVAXMBRNU-UHFFFAOYSA-N -1 3 270.292 1.366 20 30 CDEDHM CC#CCOC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000819766360 599650935 /nfs/dbraw/zinc/65/09/35/599650935.db2.gz XPKSPVVAXMBRNU-UHFFFAOYSA-N -1 3 270.292 1.366 20 30 CDEDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000826055207 601655638 /nfs/dbraw/zinc/65/56/38/601655638.db2.gz WWCCZUZXIVUTNK-BXUZGUMPSA-N -1 3 289.335 1.068 20 30 CDEDHM COc1ccc(-c2nn[n-]n2)cc1CN(C)[C@H](C)CC#N ZINC000826181667 607640109 /nfs/dbraw/zinc/64/01/09/607640109.db2.gz JUSLFLYMFQSNFL-SNVBAGLBSA-N -1 3 286.339 1.609 20 30 CDEDHM C=CC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823888429 607691707 /nfs/dbraw/zinc/69/17/07/607691707.db2.gz MGZLMELZXXZWBN-SNVBAGLBSA-N -1 3 271.324 1.870 20 30 CDEDHM C=CC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823888429 607691708 /nfs/dbraw/zinc/69/17/08/607691708.db2.gz MGZLMELZXXZWBN-SNVBAGLBSA-N -1 3 271.324 1.870 20 30 CDEDHM C=C(C)CCC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602759518 1175390678 /nfs/dbraw/zinc/39/06/78/1175390678.db2.gz JIJXBPJSOKEIPH-UHFFFAOYSA-N -1 3 289.314 1.978 20 30 CDEDHM C=C(C)CCC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602759518 1175390685 /nfs/dbraw/zinc/39/06/85/1175390685.db2.gz JIJXBPJSOKEIPH-UHFFFAOYSA-N -1 3 289.314 1.978 20 30 CDEDHM C[C@H](C#N)CNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000819845400 606509239 /nfs/dbraw/zinc/50/92/39/606509239.db2.gz TXVRYCLWAOGONA-MRVPVSSYSA-N -1 3 271.284 1.148 20 30 CDEDHM C[C@H](C#N)CNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000819845400 606509240 /nfs/dbraw/zinc/50/92/40/606509240.db2.gz TXVRYCLWAOGONA-MRVPVSSYSA-N -1 3 271.284 1.148 20 30 CDEDHM N#CC1(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCC1 ZINC000822801655 606801433 /nfs/dbraw/zinc/80/14/33/606801433.db2.gz LQQYZFZLHKTKEC-VOTSOKGWSA-N -1 3 295.302 1.869 20 30 CDEDHM N#CC1(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCC1 ZINC000822801655 606801435 /nfs/dbraw/zinc/80/14/35/606801435.db2.gz LQQYZFZLHKTKEC-VOTSOKGWSA-N -1 3 295.302 1.869 20 30 CDEDHM C(=NNC1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000819718292 606860593 /nfs/dbraw/zinc/86/05/93/606860593.db2.gz DTZNNZYDMSHHKB-UHFFFAOYSA-N -1 3 278.341 1.031 20 30 CDEDHM N#Cc1cccc(NC(=O)Cn2ccc(-c3nnn[n-]3)c2)c1 ZINC000826387352 607892651 /nfs/dbraw/zinc/89/26/51/607892651.db2.gz QXQROMDTVGXLRJ-UHFFFAOYSA-N -1 3 293.290 1.179 20 30 CDEDHM N#Cc1cccc(NC(=O)Cn2ccc(-c3nn[n-]n3)c2)c1 ZINC000826387352 607892652 /nfs/dbraw/zinc/89/26/52/607892652.db2.gz QXQROMDTVGXLRJ-UHFFFAOYSA-N -1 3 293.290 1.179 20 30 CDEDHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000825013282 608159799 /nfs/dbraw/zinc/15/97/99/608159799.db2.gz OFPPEACAIDGXHM-GZMMTYOYSA-N -1 3 298.306 1.102 20 30 CDEDHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825013282 608159801 /nfs/dbraw/zinc/15/98/01/608159801.db2.gz OFPPEACAIDGXHM-GZMMTYOYSA-N -1 3 298.306 1.102 20 30 CDEDHM C=C(CC)COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823878432 608315835 /nfs/dbraw/zinc/31/58/35/608315835.db2.gz YQHZEUGHTKRKPJ-UHFFFAOYSA-N -1 3 258.281 1.990 20 30 CDEDHM C=C(CC)COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823878432 608315837 /nfs/dbraw/zinc/31/58/37/608315837.db2.gz YQHZEUGHTKRKPJ-UHFFFAOYSA-N -1 3 258.281 1.990 20 30 CDEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000826385432 608400817 /nfs/dbraw/zinc/40/08/17/608400817.db2.gz MGEDVDKDYDJDIE-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000826385432 608400818 /nfs/dbraw/zinc/40/08/18/608400818.db2.gz MGEDVDKDYDJDIE-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM C#C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823838570 608454882 /nfs/dbraw/zinc/45/48/82/608454882.db2.gz RPCQPHOYANDTNR-ATWMFIQVSA-N -1 3 294.314 1.835 20 30 CDEDHM C#C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823838570 608454883 /nfs/dbraw/zinc/45/48/83/608454883.db2.gz RPCQPHOYANDTNR-ATWMFIQVSA-N -1 3 294.314 1.835 20 30 CDEDHM C#C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823838571 608454888 /nfs/dbraw/zinc/45/48/88/608454888.db2.gz RPCQPHOYANDTNR-CFYYFVFUSA-N -1 3 294.314 1.835 20 30 CDEDHM C#C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823838571 608454889 /nfs/dbraw/zinc/45/48/89/608454889.db2.gz RPCQPHOYANDTNR-CFYYFVFUSA-N -1 3 294.314 1.835 20 30 CDEDHM O=C1CCCN1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000826480523 608752753 /nfs/dbraw/zinc/75/27/53/608752753.db2.gz FUKULXDVVLBQQF-UHFFFAOYSA-N -1 3 295.306 1.304 20 30 CDEDHM O=C1CCCN1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000826480523 608752756 /nfs/dbraw/zinc/75/27/56/608752756.db2.gz FUKULXDVVLBQQF-UHFFFAOYSA-N -1 3 295.306 1.304 20 30 CDEDHM CCON=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825604342 609304316 /nfs/dbraw/zinc/30/43/16/609304316.db2.gz HUZTYTOIDDAHSW-UHFFFAOYSA-N -1 3 297.322 1.638 20 30 CDEDHM CCON=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825604342 609304317 /nfs/dbraw/zinc/30/43/17/609304317.db2.gz HUZTYTOIDDAHSW-UHFFFAOYSA-N -1 3 297.322 1.638 20 30 CDEDHM C#CCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000823837883 609382548 /nfs/dbraw/zinc/38/25/48/609382548.db2.gz IHDWGBUATJDOPW-UHFFFAOYSA-N -1 3 294.318 1.870 20 30 CDEDHM C#CCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000823837883 609382550 /nfs/dbraw/zinc/38/25/50/609382550.db2.gz IHDWGBUATJDOPW-UHFFFAOYSA-N -1 3 294.318 1.870 20 30 CDEDHM CC(C)OCCNN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000824314878 609416182 /nfs/dbraw/zinc/41/61/82/609416182.db2.gz IZLCPESFCLOCML-UHFFFAOYSA-N -1 3 280.357 1.277 20 30 CDEDHM CC(C)OCCNN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000824314878 609416184 /nfs/dbraw/zinc/41/61/84/609416184.db2.gz IZLCPESFCLOCML-UHFFFAOYSA-N -1 3 280.357 1.277 20 30 CDEDHM c1ccc(-c2nnn[n-]2)c(CON=C2CCCOCC2)c1 ZINC000826519956 609435599 /nfs/dbraw/zinc/43/55/99/609435599.db2.gz VTQWWJJJUMSFBT-UHFFFAOYSA-N -1 3 287.323 1.940 20 30 CDEDHM c1ccc(-c2nn[n-]n2)c(CON=C2CCCOCC2)c1 ZINC000826519956 609435602 /nfs/dbraw/zinc/43/56/02/609435602.db2.gz VTQWWJJJUMSFBT-UHFFFAOYSA-N -1 3 287.323 1.940 20 30 CDEDHM Cc1ccnc(N(C)C[C@@H](C)C#N)c1-c1nnn[n-]1 ZINC000826309381 609535495 /nfs/dbraw/zinc/53/54/95/609535495.db2.gz NEDUGCJJVCWBTL-QMMMGPOBSA-N -1 3 257.301 1.166 20 30 CDEDHM Cc1ccnc(N(C)C[C@@H](C)C#N)c1-c1nn[n-]n1 ZINC000826309381 609535496 /nfs/dbraw/zinc/53/54/96/609535496.db2.gz NEDUGCJJVCWBTL-QMMMGPOBSA-N -1 3 257.301 1.166 20 30 CDEDHM C=C1CCN(c2nccc(C)c2-c2nnn[n-]2)CC1 ZINC000823883281 609549491 /nfs/dbraw/zinc/54/94/91/609549491.db2.gz NCMYBSQEXHCCPZ-UHFFFAOYSA-N -1 3 256.313 1.727 20 30 CDEDHM C=C1CCN(c2nccc(C)c2-c2nn[n-]n2)CC1 ZINC000823883281 609549492 /nfs/dbraw/zinc/54/94/92/609549492.db2.gz NCMYBSQEXHCCPZ-UHFFFAOYSA-N -1 3 256.313 1.727 20 30 CDEDHM C#CCN1CC(N(CC)C(=O)c2ccccc2[O-])C1 ZINC000949696787 613113345 /nfs/dbraw/zinc/11/33/45/613113345.db2.gz QQWSUYJGKZUPMT-UHFFFAOYSA-N -1 3 258.321 1.172 20 30 CDEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000892152919 617510587 /nfs/dbraw/zinc/51/05/87/617510587.db2.gz HVELYXYFDBESFU-BQBZGAKWSA-N -1 3 290.245 1.743 20 30 CDEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000892152919 617510589 /nfs/dbraw/zinc/51/05/89/617510589.db2.gz HVELYXYFDBESFU-BQBZGAKWSA-N -1 3 290.245 1.743 20 30 CDEDHM C=C[C@@H](CC)CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000936007202 617642865 /nfs/dbraw/zinc/64/28/65/617642865.db2.gz BYCAMDDGBLDMFA-JTQLQIEISA-N -1 3 251.330 1.361 20 30 CDEDHM N#CCCN(Cc1ccnc(-c2nnn[n-]2)c1)CC1CC1 ZINC000826381997 618590869 /nfs/dbraw/zinc/59/08/69/618590869.db2.gz JYUMZSCZHCIKRX-UHFFFAOYSA-N -1 3 283.339 1.387 20 30 CDEDHM COc1ccc(CN[C@H]2CCCN([O-])C2=O)cc1F ZINC000895164658 619391605 /nfs/dbraw/zinc/39/16/05/619391605.db2.gz GAOXSISMZKDBQK-NSHDSACASA-N -1 3 268.288 1.304 20 30 CDEDHM N#Cc1ncn(CC/N=C/c2cc(Cl)ccc2[O-])n1 ZINC000794675419 619429746 /nfs/dbraw/zinc/42/97/46/619429746.db2.gz AQCATZXOPYXISY-VIZOYTHASA-N -1 3 275.699 1.628 20 30 CDEDHM O=C1[C@@H](NCc2cnn(CC3CCC3)c2)CCCN1[O-] ZINC000895195909 619445564 /nfs/dbraw/zinc/44/55/64/619445564.db2.gz GBWSFTDYARCTPY-ZDUSSCGKSA-N -1 3 278.356 1.153 20 30 CDEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CS[C@@H](C)C2)c1[O-] ZINC000840710636 620346000 /nfs/dbraw/zinc/34/60/00/620346000.db2.gz LCWXCBRZPGZYQD-NFJKNUAPSA-N -1 3 266.366 1.901 20 30 CDEDHM C=C[C@H](CC(=O)NCCCc1c[n-][nH]c1=O)c1ccccc1 ZINC000898736874 621856932 /nfs/dbraw/zinc/85/69/32/621856932.db2.gz KGMJUFLWBDIPFB-HIFRSBDPSA-N -1 3 299.374 1.975 20 30 CDEDHM C=CCCC[C@H](N)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000900453907 623079288 /nfs/dbraw/zinc/07/92/88/623079288.db2.gz OXPXXNASXXFNNT-JTQLQIEISA-N -1 3 256.346 1.430 20 30 CDEDHM CCCCN([O-])C(=O)Cn1c2ccccc2n(C)c1=O ZINC000904207834 626212872 /nfs/dbraw/zinc/21/28/72/626212872.db2.gz DQHHUYPHHIJDNF-UHFFFAOYSA-N -1 3 277.324 1.358 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1COc2ccccc2O1 ZINC000904207940 626213060 /nfs/dbraw/zinc/21/30/60/626213060.db2.gz JBNMCIZXTFTQPP-GFCCVEGCSA-N -1 3 251.282 1.844 20 30 CDEDHM CCCCN([O-])C(=O)Cn1cnc2c(C)cccc2c1=O ZINC000904207937 626213064 /nfs/dbraw/zinc/21/30/64/626213064.db2.gz IXEIMOAPTYQZRQ-UHFFFAOYSA-N -1 3 289.335 1.723 20 30 CDEDHM CCCCN([O-])C(=O)c1ccc(N2CCCC2)nn1 ZINC000904210083 626213869 /nfs/dbraw/zinc/21/38/69/626213869.db2.gz FVOKKEKLACAHDR-UHFFFAOYSA-N -1 3 264.329 1.708 20 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1173349528 /nfs/dbraw/zinc/34/95/28/1173349528.db2.gz MWKIJRQNICGHAK-MSRIBSCDSA-N -1 3 298.350 1.191 20 30 CDEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@H](C)[C@H]1O ZINC001590312954 1173349534 /nfs/dbraw/zinc/34/95/34/1173349534.db2.gz MWKIJRQNICGHAK-MSRIBSCDSA-N -1 3 298.350 1.191 20 30 CDEDHM CC[C@H](CC#N)Nc1nccc(C)c1-c1nnn[n-]1 ZINC001590419469 1173401911 /nfs/dbraw/zinc/40/19/11/1173401911.db2.gz MJFKFEPYHNGRNB-SECBINFHSA-N -1 3 257.301 1.674 20 30 CDEDHM CC[C@H](CC#N)Nc1nccc(C)c1-c1nn[n-]n1 ZINC001590419469 1173401913 /nfs/dbraw/zinc/40/19/13/1173401913.db2.gz MJFKFEPYHNGRNB-SECBINFHSA-N -1 3 257.301 1.674 20 30 CDEDHM CCC[C@H](C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590538929 1173454864 /nfs/dbraw/zinc/45/48/64/1173454864.db2.gz SHYKSOUBDHCODE-IDVQTMNDSA-N -1 3 296.334 1.688 20 30 CDEDHM CCC[C@H](C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590538929 1173454865 /nfs/dbraw/zinc/45/48/65/1173454865.db2.gz SHYKSOUBDHCODE-IDVQTMNDSA-N -1 3 296.334 1.688 20 30 CDEDHM 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HJKLOHLZHXZQFF-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1cc(C(=O)NC2(C#N)CC2)cc(C)c1-c1nnn[n-]1 ZINC001591920500 1173747186 /nfs/dbraw/zinc/74/71/86/1173747186.db2.gz UYEQINSBVYQJBM-UHFFFAOYSA-N -1 3 282.307 1.270 20 30 CDEDHM Cc1cc(C(=O)NC2(C#N)CC2)cc(C)c1-c1nn[n-]n1 ZINC001591920500 1173747194 /nfs/dbraw/zinc/74/71/94/1173747194.db2.gz UYEQINSBVYQJBM-UHFFFAOYSA-N -1 3 282.307 1.270 20 30 CDEDHM Cc1ccc(C(=O)OC(C)(C)C#N)cc1-c1nnn[n-]1 ZINC001592132253 1173809709 /nfs/dbraw/zinc/80/97/09/1173809709.db2.gz DATPEUSHEHFKAE-UHFFFAOYSA-N -1 3 271.280 1.634 20 30 CDEDHM Cc1ccc(C(=O)OC(C)(C)C#N)cc1-c1nn[n-]n1 ZINC001592132253 1173809718 /nfs/dbraw/zinc/80/97/18/1173809718.db2.gz DATPEUSHEHFKAE-UHFFFAOYSA-N -1 3 271.280 1.634 20 30 CDEDHM Cc1ccc(CN2CC[C@](F)(C#N)C2)cc1-c1nnn[n-]1 ZINC001592153654 1173814700 /nfs/dbraw/zinc/81/47/00/1173814700.db2.gz JRFAWNGMTGKJOI-AWEZNQCLSA-N -1 3 286.314 1.613 20 30 CDEDHM Cc1ccc(CN2CC[C@](F)(C#N)C2)cc1-c1nn[n-]n1 ZINC001592153654 1173814702 /nfs/dbraw/zinc/81/47/02/1173814702.db2.gz JRFAWNGMTGKJOI-AWEZNQCLSA-N -1 3 286.314 1.613 20 30 CDEDHM N#C[C@@]1(F)CCN(c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC001592671058 1173962403 /nfs/dbraw/zinc/96/24/03/1173962403.db2.gz YZMNWKQYHBTOAD-LBPRGKRZSA-N -1 3 292.705 1.962 20 30 CDEDHM N#C[C@@]1(F)CCN(c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC001592671058 1173962406 /nfs/dbraw/zinc/96/24/06/1173962406.db2.gz YZMNWKQYHBTOAD-LBPRGKRZSA-N -1 3 292.705 1.962 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCC=CO1 ZINC001592699530 1173975510 /nfs/dbraw/zinc/97/55/10/1173975510.db2.gz DAKXPXDGLGZWNW-LLVKDONJSA-N -1 3 282.307 1.843 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCC=CO1 ZINC001592699530 1173975521 /nfs/dbraw/zinc/97/55/21/1173975521.db2.gz DAKXPXDGLGZWNW-LLVKDONJSA-N -1 3 282.307 1.843 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(C#N)CC1 ZINC001592698178 1173976124 /nfs/dbraw/zinc/97/61/24/1173976124.db2.gz MDTMIHXPJOKDGU-UHFFFAOYSA-N -1 3 279.307 1.478 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(C#N)CC1 ZINC001592698178 1173976132 /nfs/dbraw/zinc/97/61/32/1173976132.db2.gz MDTMIHXPJOKDGU-UHFFFAOYSA-N -1 3 279.307 1.478 20 30 CDEDHM N#Cc1cnccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC001592703957 1173978991 /nfs/dbraw/zinc/97/89/91/1173978991.db2.gz KWWOUELMIFPFLW-UHFFFAOYSA-N -1 3 295.281 1.306 20 30 CDEDHM N#Cc1cnccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC001592703957 1173978995 /nfs/dbraw/zinc/97/89/95/1173978995.db2.gz KWWOUELMIFPFLW-UHFFFAOYSA-N -1 3 295.281 1.306 20 30 CDEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1cnccn1 ZINC001592795057 1173993003 /nfs/dbraw/zinc/99/30/03/1173993003.db2.gz WLFQETCXKVVQBN-PLNGDYQASA-N -1 3 296.265 1.692 20 30 CDEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1cnccn1 ZINC001592795057 1173993011 /nfs/dbraw/zinc/99/30/11/1173993011.db2.gz WLFQETCXKVVQBN-PLNGDYQASA-N -1 3 296.265 1.692 20 30 CDEDHM c1cc(N=NC2CCCOCC2)ncc1-c1nnn[n-]1 ZINC001593561744 1174138479 /nfs/dbraw/zinc/13/84/79/1174138479.db2.gz VYHVXBOGEHDMIR-UHFFFAOYSA-N -1 3 273.300 1.230 20 30 CDEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCN(CC3CC3)CC2)c1 ZINC001601117567 1174750089 /nfs/dbraw/zinc/75/00/89/1174750089.db2.gz DBUBOQKSXZRQPF-INIZCTEOSA-N -1 3 299.374 1.712 20 30 CDEDHM N#Cc1cnc(Cl)c(CNCC2(C(=O)[O-])CC2)c1 ZINC001601130016 1174754629 /nfs/dbraw/zinc/75/46/29/1174754629.db2.gz FYLVANZYPBUNHH-UHFFFAOYSA-N -1 3 265.700 1.561 20 30 CDEDHM N#Cc1cnc(Cl)c(CN[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1 ZINC001601130905 1174756210 /nfs/dbraw/zinc/75/62/10/1174756210.db2.gz YBZYPWLZBJVPQA-SUNKGSAMSA-N -1 3 291.738 1.950 20 30 CDEDHM C#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)C(C)(C)C ZINC001602689254 1175355138 /nfs/dbraw/zinc/35/51/38/1175355138.db2.gz PQSYNORDRHYEPL-SNVBAGLBSA-N -1 3 289.364 1.706 20 30 CDEDHM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)C(C)(C)C ZINC001602689254 1175355142 /nfs/dbraw/zinc/35/51/42/1175355142.db2.gz PQSYNORDRHYEPL-SNVBAGLBSA-N -1 3 289.364 1.706 20 30 CDEDHM C#C[C@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2C)C1 ZINC001602696809 1175361304 /nfs/dbraw/zinc/36/13/04/1175361304.db2.gz 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297.698 1.243 20 30 CDEDHM C=C(C)[C@H](CC(=O)[N-]OCCN1CCCC1=O)OCC ZINC000856042150 743560491 /nfs/dbraw/zinc/56/04/91/743560491.db2.gz USXBPHFWOHDNHR-LBPRGKRZSA-N -1 3 284.356 1.028 20 30 CDEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)CC)C1 ZINC000846539114 745004125 /nfs/dbraw/zinc/00/41/25/745004125.db2.gz XMAWMDBZPOTCQF-LLVKDONJSA-N -1 3 254.330 1.259 20 30 CDEDHM C#Cc1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC000837505332 745206467 /nfs/dbraw/zinc/20/64/67/745206467.db2.gz ZYAWFIYOKWVNGE-UHFFFAOYSA-N -1 3 295.298 1.793 20 30 CDEDHM C#C[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)[C@@H]1CCCO1 ZINC000790340694 745393587 /nfs/dbraw/zinc/39/35/87/745393587.db2.gz SQPFMPBLVDMQSF-SRVKXCTJSA-N -1 3 261.325 1.322 20 30 CDEDHM Cc1nnc(COC(=O)c2cc([O-])cc(C#N)c2)[nH]1 ZINC000795531724 745512261 /nfs/dbraw/zinc/51/22/61/745512261.db2.gz CUMYUIZJXXBHID-UHFFFAOYSA-N -1 3 258.237 1.047 20 30 CDEDHM C[C@@H](C=NN1CC(=O)[N-]C1=O)c1cc(F)cc(F)c1 ZINC000834933966 745533002 /nfs/dbraw/zinc/53/30/02/745533002.db2.gz 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256.346 1.555 20 30 CDEDHM C=C(C)CN1C[C@@H](NC(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001071454082 748008382 /nfs/dbraw/zinc/00/83/82/748008382.db2.gz FSNGRAJLCBFAAN-STQMWFEESA-N -1 3 289.379 1.946 20 30 CDEDHM CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187765 748158095 /nfs/dbraw/zinc/15/80/95/748158095.db2.gz XFTOXYVNNODALZ-ZJUUUORDSA-N -1 3 290.319 1.724 20 30 CDEDHM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848132023 748375532 /nfs/dbraw/zinc/37/55/32/748375532.db2.gz NHBCNVGCTVBWQO-GMTAPVOTSA-N -1 3 254.330 1.165 20 30 CDEDHM Cc1ccccc1C1(C(=O)N[C@H]2CCCN([O-])C2=O)CC1 ZINC000848138482 748559477 /nfs/dbraw/zinc/55/94/77/748559477.db2.gz NUHUNYDNOWGXSY-ZDUSSCGKSA-N -1 3 288.347 1.523 20 30 CDEDHM C#C[C@@H](NC(=O)c1c([O-])cccc1O)[C@H]1CCCO1 ZINC000776268195 748571256 /nfs/dbraw/zinc/57/12/56/748571256.db2.gz BNCOYNSRYHJFRU-BXKDBHETSA-N -1 3 261.277 1.008 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H](c1ccccc1)C1CC1 ZINC000816756718 748593322 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942546717 /nfs/dbraw/zinc/54/67/17/942546717.db2.gz KVISWMFGMOUYSX-GFCCVEGCSA-N -1 3 284.271 1.722 20 30 CDEDHM C[C@@]1(O)CCN(Cc2ccc(C#N)cc2[O-])C[C@@H]1F ZINC001233383827 943569633 /nfs/dbraw/zinc/56/96/33/943569633.db2.gz XQZDFIVSMNJNHU-UONOGXRCSA-N -1 3 264.300 1.559 20 30 CDEDHM COc1cc(/C=N/[O-])ccc1OC1CN(C(=O)C(C)C)C1 ZINC001233804352 943663245 /nfs/dbraw/zinc/66/32/45/943663245.db2.gz XZAQYCIHTZNZOG-FRKPEAEDSA-N -1 3 292.335 1.749 20 30 CDEDHM C=CCC(F)(F)C(=O)[N-][C@@H](c1ncon1)C1CC1 ZINC001263943474 944039319 /nfs/dbraw/zinc/03/93/19/944039319.db2.gz SUSWCQHAUMZXRY-MRVPVSSYSA-N -1 3 257.240 1.848 20 30 CDEDHM COC(=O)c1nc2nc(-c3ccnc(C#N)c3)ccc2[n-]1 ZINC001241196082 946189613 /nfs/dbraw/zinc/18/96/13/946189613.db2.gz PDKGTNQLLLAJTM-UHFFFAOYSA-N -1 3 279.259 1.678 20 30 CDEDHM COC(=O)c1nc2ccc(-c3ccnc(C#N)c3)[n-]c-2n1 ZINC001241196082 946189618 /nfs/dbraw/zinc/18/96/18/946189618.db2.gz PDKGTNQLLLAJTM-UHFFFAOYSA-N -1 3 279.259 1.678 20 30 CDEDHM COC(=O)c1nc2ccc(-c3ccnc(C#N)c3)nc2[n-]1 ZINC001241196082 946189624 /nfs/dbraw/zinc/18/96/24/946189624.db2.gz PDKGTNQLLLAJTM-UHFFFAOYSA-N -1 3 279.259 1.678 20 30 CDEDHM N#C[C@H]1CC[C@H](NCC(=O)c2ccc([O-])c(O)c2)C1 ZINC001254643325 947565747 /nfs/dbraw/zinc/56/57/47/947565747.db2.gz KURAEFYVOLNZQT-ONGXEEELSA-N -1 3 260.293 1.562 20 30 CDEDHM C=CCC[C@@H](O)CNc1ccc(C(N)=O)c([O-])c1 ZINC001252611413 951505995 /nfs/dbraw/zinc/50/59/95/951505995.db2.gz ZZBSKETYFVUVIM-SNVBAGLBSA-N -1 3 250.298 1.230 20 30 CDEDHM C[C@@H]1CCN(Cc2ccc(C#N)cn2)C[C@H]1C(=O)[O-] ZINC001589355707 954137432 /nfs/dbraw/zinc/13/74/32/954137432.db2.gz UZWCXZJMVIPQTO-ZWNOBZJWSA-N -1 3 259.309 1.496 20 30 CDEDHM N#Cc1cccc(C#N)c1N1CCC(c2nnn[n-]2)CC1 ZINC001364587187 954852123 /nfs/dbraw/zinc/85/21/23/954852123.db2.gz ZKFMRLPRJVNYGI-UHFFFAOYSA-N -1 3 279.307 1.327 20 30 CDEDHM N#Cc1cccc(C#N)c1N1CCC(c2nn[n-]n2)CC1 ZINC001364587187 954852133 /nfs/dbraw/zinc/85/21/33/954852133.db2.gz ZKFMRLPRJVNYGI-UHFFFAOYSA-N -1 3 279.307 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CC[C@@H](C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609248934 1164862989 /nfs/dbraw/zinc/86/29/89/1164862989.db2.gz DYHFDBCVFKFFOE-AEZGRPFRSA-N -1 3 282.307 1.298 20 30 CDEDHM CC[C@@H](C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609248934 1164862994 /nfs/dbraw/zinc/86/29/94/1164862994.db2.gz DYHFDBCVFKFFOE-AEZGRPFRSA-N -1 3 282.307 1.298 20 30 CDEDHM N#CCCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001609495061 1164976077 /nfs/dbraw/zinc/97/60/77/1164976077.db2.gz SXMGEWAGUQVXEE-UHFFFAOYSA-N -1 3 287.283 1.881 20 30 CDEDHM N#CCCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001609495061 1164976081 /nfs/dbraw/zinc/97/60/81/1164976081.db2.gz SXMGEWAGUQVXEE-UHFFFAOYSA-N -1 3 287.283 1.881 20 30 CDEDHM O=C1C(=Cc2ncc[nH]2)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001609585815 1164999000 /nfs/dbraw/zinc/99/90/00/1164999000.db2.gz GRFNIYGZGMESQD-JXMROGBWSA-N -1 3 278.275 1.412 20 30 CDEDHM O=C1C(=Cc2ncc[nH]2)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001609585815 1164999010 /nfs/dbraw/zinc/99/90/10/1164999010.db2.gz GRFNIYGZGMESQD-JXMROGBWSA-N -1 3 278.275 1.412 20 30 CDEDHM Cc1nc(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)co1 ZINC001611701937 1165504449 /nfs/dbraw/zinc/50/44/49/1165504449.db2.gz IRKIOZNBKKMWJL-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM N#Cc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)[nH]1 ZINC001628214903 1166051712 /nfs/dbraw/zinc/05/17/12/1166051712.db2.gz FOLSJOUJMXMFQI-UHFFFAOYSA-N -1 3 267.248 1.721 20 30 CDEDHM C=CCCn1cc(CN[C@H](CC(=O)[O-])C(C)C)nn1 ZINC001330124546 1167468919 /nfs/dbraw/zinc/46/89/19/1167468919.db2.gz XGGDLUQZBIGDQA-GFCCVEGCSA-N -1 3 266.345 1.443 20 30 CDEDHM O=C([C@H]1COCCN1)N([O-])Cc1ccccc1Cl ZINC001574293112 1170943454 /nfs/dbraw/zinc/94/34/54/1170943454.db2.gz UUWKRFCTIYSUKX-LLVKDONJSA-N -1 3 270.716 1.046 20 30 CDEDHM C#CC[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001588337832 1173030947 /nfs/dbraw/zinc/03/09/47/1173030947.db2.gz WYMIUSRFWCBJQQ-VIFPVBQESA-N -1 3 274.353 1.481 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588332111 1173034593 /nfs/dbraw/zinc/03/45/93/1173034593.db2.gz GNPFNNVMIHMQMD-ZDUSSCGKSA-N -1 3 296.334 1.886 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588332111 1173034601 /nfs/dbraw/zinc/03/46/01/1173034601.db2.gz GNPFNNVMIHMQMD-ZDUSSCGKSA-N -1 3 296.334 1.886 20 30 CDEDHM C#CCCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588345932 1173042425 /nfs/dbraw/zinc/04/24/25/1173042425.db2.gz QECONFSEXUTZOJ-UHFFFAOYSA-N -1 3 285.311 1.187 20 30 CDEDHM C#CCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588345932 1173042436 /nfs/dbraw/zinc/04/24/36/1173042436.db2.gz QECONFSEXUTZOJ-UHFFFAOYSA-N -1 3 285.311 1.187 20 30 CDEDHM C#CCN(c1cc(C)cc(F)c1-c1nnn[n-]1)C1CC1 ZINC001588351757 1173051786 /nfs/dbraw/zinc/05/17/86/1173051786.db2.gz INCDVANZSIDCLD-UHFFFAOYSA-N -1 3 271.299 1.916 20 30 CDEDHM C#CCN(c1cc(C)cc(F)c1-c1nn[n-]n1)C1CC1 ZINC001588351757 1173051792 /nfs/dbraw/zinc/05/17/92/1173051792.db2.gz INCDVANZSIDCLD-UHFFFAOYSA-N -1 3 271.299 1.916 20 30 CDEDHM C=C1CN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)C1 ZINC001588463013 1173066008 /nfs/dbraw/zinc/06/60/08/1173066008.db2.gz WXKGFJDFNOPWIK-UHFFFAOYSA-N -1 3 288.286 1.718 20 30 CDEDHM C=C1CN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)C1 ZINC001588463013 1173066014 /nfs/dbraw/zinc/06/60/14/1173066014.db2.gz WXKGFJDFNOPWIK-UHFFFAOYSA-N -1 3 288.286 1.718 20 30 CDEDHM C=CC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588488718 1173070232 /nfs/dbraw/zinc/07/02/32/1173070232.db2.gz NSOAZJSXBFLWGG-UHFFFAOYSA-N -1 3 274.328 1.147 20 30 CDEDHM C=CC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588488718 1173070235 /nfs/dbraw/zinc/07/02/35/1173070235.db2.gz NSOAZJSXBFLWGG-UHFFFAOYSA-N -1 3 274.328 1.147 20 30 CDEDHM C=CC[C@H]1CCCN(c2nnccc2-c2nnn[n-]2)C1 ZINC001588561270 1173084417 /nfs/dbraw/zinc/08/44/17/1173084417.db2.gz YQOHNJQHMYVVDE-JTQLQIEISA-N -1 3 271.328 1.449 20 30 CDEDHM C=CC[C@H]1CCCN(c2nnccc2-c2nn[n-]n2)C1 ZINC001588561270 1173084430 /nfs/dbraw/zinc/08/44/30/1173084430.db2.gz YQOHNJQHMYVVDE-JTQLQIEISA-N -1 3 271.328 1.449 20 30 CDEDHM C=CCCOC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588609922 1173088736 /nfs/dbraw/zinc/08/87/36/1173088736.db2.gz XFGHSNNASBLABH-SNVBAGLBSA-N -1 3 288.307 1.753 20 30 CDEDHM C=CCOCCN1CCc2c1cccc2-c1nnn[n-]1 ZINC001588682149 1173097706 /nfs/dbraw/zinc/09/77/06/1173097706.db2.gz BXILRESYYOUAGD-UHFFFAOYSA-N -1 3 271.324 1.432 20 30 CDEDHM C=CCOCCN1CCc2c1cccc2-c1nn[n-]n1 ZINC001588682149 1173097710 /nfs/dbraw/zinc/09/77/10/1173097710.db2.gz BXILRESYYOUAGD-UHFFFAOYSA-N -1 3 271.324 1.432 20 30 CDEDHM C[C@H](CC#N)NCCOc1cccc(-c2nn[n-]n2)c1 ZINC001589788279 1173180806 /nfs/dbraw/zinc/18/08/06/1173180806.db2.gz VXURZUYDZUCBMG-SNVBAGLBSA-N -1 3 272.312 1.137 20 30 CDEDHM C[C@@H](CC#N)C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001589788481 1173182102 /nfs/dbraw/zinc/18/21/02/1173182102.db2.gz XBHVUKHRSCKUBO-VIFPVBQESA-N -1 3 282.307 1.259 20 30 CDEDHM C[C@@H](CC#N)C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001589788481 1173182105 /nfs/dbraw/zinc/18/21/05/1173182105.db2.gz XBHVUKHRSCKUBO-VIFPVBQESA-N -1 3 282.307 1.259 20 30 CDEDHM C[C@@H](Nc1cnc(C#N)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC001589987010 1173223154 /nfs/dbraw/zinc/22/31/54/1173223154.db2.gz BDDFIVRHTPEYPR-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@H](Nc1cnc(C#N)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC001589987010 1173223155 /nfs/dbraw/zinc/22/31/55/1173223155.db2.gz BDDFIVRHTPEYPR-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM CCC(C#N)(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001590367112 1173376089 /nfs/dbraw/zinc/37/60/89/1173376089.db2.gz BUCIOSYPFDDFTC-UHFFFAOYSA-N -1 3 299.338 1.208 20 30 CDEDHM CCC(C#N)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001590367112 1173376096 /nfs/dbraw/zinc/37/60/96/1173376096.db2.gz BUCIOSYPFDDFTC-UHFFFAOYSA-N -1 3 299.338 1.208 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001590372594 1173381451 /nfs/dbraw/zinc/38/14/51/1173381451.db2.gz XTBGUCVVARQMPV-HNNXBMFYSA-N -1 3 298.350 1.731 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001590372594 1173381452 /nfs/dbraw/zinc/38/14/52/1173381452.db2.gz XTBGUCVVARQMPV-HNNXBMFYSA-N -1 3 298.350 1.731 20 30 CDEDHM CCC[C@H](C#N)NC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001590538563 1173455175 /nfs/dbraw/zinc/45/51/75/1173455175.db2.gz KRCXVBJPGJHARY-LLVKDONJSA-N -1 3 284.323 1.597 20 30 CDEDHM CCC[C@H](C#N)NC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001590538563 1173455182 /nfs/dbraw/zinc/45/51/82/1173455182.db2.gz KRCXVBJPGJHARY-LLVKDONJSA-N -1 3 284.323 1.597 20 30 CDEDHM CCn1nccc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001590969345 1173553418 /nfs/dbraw/zinc/55/34/18/1173553418.db2.gz GHYIVYOURPWPOS-FPLPWBNLSA-N -1 3 294.318 1.979 20 30 CDEDHM CCn1nccc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001590969345 1173553422 /nfs/dbraw/zinc/55/34/22/1173553422.db2.gz GHYIVYOURPWPOS-FPLPWBNLSA-N -1 3 294.318 1.979 20 30 CDEDHM Cc1cc(NC(=O)N(C)C[C@@H](C)C#N)cc(-c2nnn[n-]2)c1 ZINC001592020575 1173774837 /nfs/dbraw/zinc/77/48/37/1173774837.db2.gz VWCAQNRPFBEQHH-JTQLQIEISA-N -1 3 299.338 1.799 20 30 CDEDHM Cc1cc(NC(=O)N(C)C[C@@H](C)C#N)cc(-c2nn[n-]n2)c1 ZINC001592020575 1173774843 /nfs/dbraw/zinc/77/48/43/1173774843.db2.gz VWCAQNRPFBEQHH-JTQLQIEISA-N -1 3 299.338 1.799 20 30 CDEDHM Cn1cnc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001592587692 1173923388 /nfs/dbraw/zinc/92/33/88/1173923388.db2.gz ZTLUGRWJQWRQBD-AATRIKPKSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1cnc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001592587692 1173923395 /nfs/dbraw/zinc/92/33/95/1173923395.db2.gz ZTLUGRWJQWRQBD-AATRIKPKSA-N -1 3 280.291 1.496 20 30 CDEDHM N#CC1(CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001592670126 1173959742 /nfs/dbraw/zinc/95/97/42/1173959742.db2.gz UABZUHLCDUDGSJ-UHFFFAOYSA-N -1 3 259.248 1.116 20 30 CDEDHM N#CC1(CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001592670126 1173959748 /nfs/dbraw/zinc/95/97/48/1173959748.db2.gz UABZUHLCDUDGSJ-UHFFFAOYSA-N -1 3 259.248 1.116 20 30 CDEDHM N#CCCCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001592675426 1173965998 /nfs/dbraw/zinc/96/59/98/1173965998.db2.gz TXYCLTFMIUYLFD-UHFFFAOYSA-N -1 3 270.296 1.889 20 30 CDEDHM N#CCCCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001592675426 1173966007 /nfs/dbraw/zinc/96/60/07/1173966007.db2.gz TXYCLTFMIUYLFD-UHFFFAOYSA-N -1 3 270.296 1.889 20 30 CDEDHM N#CCN(CCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001592677143 1173968187 /nfs/dbraw/zinc/96/81/87/1173968187.db2.gz AVAVODVJAWQDTN-UHFFFAOYSA-N -1 3 284.323 1.233 20 30 CDEDHM N#CCN(CCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001592677143 1173968192 /nfs/dbraw/zinc/96/81/92/1173968192.db2.gz AVAVODVJAWQDTN-UHFFFAOYSA-N -1 3 284.323 1.233 20 30 CDEDHM N#C[C@H]1CC[C@@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001592681127 1173969236 /nfs/dbraw/zinc/96/92/36/1173969236.db2.gz IWRVYACVAXJYIH-WCQYABFASA-N -1 3 296.334 1.218 20 30 CDEDHM N#C[C@H]1CC[C@@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001592681127 1173969243 /nfs/dbraw/zinc/96/92/43/1173969243.db2.gz IWRVYACVAXJYIH-WCQYABFASA-N -1 3 296.334 1.218 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1(CO)CCC1 ZINC001592698868 1173976216 /nfs/dbraw/zinc/97/62/16/1173976216.db2.gz LDCDPHADVRVICE-UHFFFAOYSA-N -1 3 284.323 1.313 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1(CO)CCC1 ZINC001592698868 1173976219 /nfs/dbraw/zinc/97/62/19/1173976219.db2.gz LDCDPHADVRVICE-UHFFFAOYSA-N -1 3 284.323 1.313 20 30 CDEDHM C#C[C@@H](Nc1cc(C)c(-c2nnn[n-]2)cn1)C1CCOCC1 ZINC001602691153 1175358157 /nfs/dbraw/zinc/35/81/57/1175358157.db2.gz UHCKRELSIYHFDW-CYBMUJFWSA-N -1 3 298.350 1.410 20 30 CDEDHM C#C[C@@H](Nc1cc(C)c(-c2nn[n-]n2)cn1)C1CCOCC1 ZINC001602691153 1175358162 /nfs/dbraw/zinc/35/81/62/1175358162.db2.gz UHCKRELSIYHFDW-CYBMUJFWSA-N -1 3 298.350 1.410 20 30 CDEDHM C#CCC(C)(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001602696416 1175360419 /nfs/dbraw/zinc/36/04/19/1175360419.db2.gz IFRNJIQEGDJHQE-UHFFFAOYSA-N -1 3 283.335 1.532 20 30 CDEDHM C#CCC(C)(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001602696416 1175360422 /nfs/dbraw/zinc/36/04/22/1175360422.db2.gz IFRNJIQEGDJHQE-UHFFFAOYSA-N -1 3 283.335 1.532 20 30 CDEDHM C#CC[C@@H]1CCCN(c2cnccc2-c2nnn[n-]2)C1 ZINC001602699108 1175362648 /nfs/dbraw/zinc/36/26/48/1175362648.db2.gz CMJYIKWHSITHDD-LLVKDONJSA-N -1 3 268.324 1.501 20 30 CDEDHM C#CC[C@@H]1CCCN(c2cnccc2-c2nn[n-]n2)C1 ZINC001602699108 1175362652 /nfs/dbraw/zinc/36/26/52/1175362652.db2.gz CMJYIKWHSITHDD-LLVKDONJSA-N -1 3 268.324 1.501 20 30 CDEDHM C#CC[C@@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001602699261 1175363769 /nfs/dbraw/zinc/36/37/69/1175363769.db2.gz FRDZSOTWRMHVTA-GFCCVEGCSA-N -1 3 295.346 1.281 20 30 CDEDHM C#CC[C@@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001602699261 1175363771 /nfs/dbraw/zinc/36/37/71/1175363771.db2.gz FRDZSOTWRMHVTA-GFCCVEGCSA-N -1 3 295.346 1.281 20 30 CDEDHM C=CCn1cnnc1SCc1cccc(-c2nnn[n-]2)c1 ZINC001602883794 1175442841 /nfs/dbraw/zinc/44/28/41/1175442841.db2.gz JZKGEOXQFKHZBK-UHFFFAOYSA-N -1 3 299.363 1.937 20 30 CDEDHM C=CCn1cnnc1SCc1cccc(-c2nn[n-]n2)c1 ZINC001602883794 1175442843 /nfs/dbraw/zinc/44/28/43/1175442843.db2.gz JZKGEOXQFKHZBK-UHFFFAOYSA-N -1 3 299.363 1.937 20 30 CDEDHM CC#CCCCC(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1 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299.363 1.774 20 30 CDEDHM C#CCCCCNC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001609020567 1164729953 /nfs/dbraw/zinc/72/99/53/1164729953.db2.gz STCZCJLFKVEQKP-UHFFFAOYSA-N -1 3 283.335 1.708 20 30 CDEDHM C#CCCCCNC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001609020567 1164729959 /nfs/dbraw/zinc/72/99/59/1164729959.db2.gz STCZCJLFKVEQKP-UHFFFAOYSA-N -1 3 283.335 1.708 20 30 CDEDHM C[C@@]1(Cn2cnc(C#N)c2-c2nnn[n-]2)CC1(Cl)Cl ZINC001609150312 1164783290 /nfs/dbraw/zinc/78/32/90/1164783290.db2.gz VNWOOANIBAYLJC-VIFPVBQESA-N -1 3 298.137 1.519 20 30 CDEDHM CC[C@]1(C)CN(c2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001609196719 1164836522 /nfs/dbraw/zinc/83/65/22/1164836522.db2.gz ZNRQHSARCPMHJP-OAHLLOKOSA-N -1 3 298.350 1.744 20 30 CDEDHM CC[C@]1(C)CN(c2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001609196719 1164836527 /nfs/dbraw/zinc/83/65/27/1164836527.db2.gz ZNRQHSARCPMHJP-OAHLLOKOSA-N -1 3 298.350 1.744 20 30 CDEDHM CN(C(=O)C#CC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001609260926 1164869729 /nfs/dbraw/zinc/86/97/29/1164869729.db2.gz XSJQVCVRYGNGEC-UHFFFAOYSA-N -1 3 267.292 1.243 20 30 CDEDHM CN(C(=O)C#CC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001609260926 1164869731 /nfs/dbraw/zinc/86/97/31/1164869731.db2.gz XSJQVCVRYGNGEC-UHFFFAOYSA-N -1 3 267.292 1.243 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CSCC#N ZINC001609415661 1164940984 /nfs/dbraw/zinc/94/09/84/1164940984.db2.gz DUGLVXMMJYQHCS-UHFFFAOYSA-N -1 3 288.336 1.370 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CSCC#N ZINC001609415661 1164940988 /nfs/dbraw/zinc/94/09/88/1164940988.db2.gz DUGLVXMMJYQHCS-UHFFFAOYSA-N -1 3 288.336 1.370 20 30 CDEDHM N#CC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001609495236 1164976780 /nfs/dbraw/zinc/97/67/80/1164976780.db2.gz YSAFHYZFBVBXDB-UHFFFAOYSA-N -1 3 272.287 1.746 20 30 CDEDHM N#CC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001609495236 1164976782 /nfs/dbraw/zinc/97/67/82/1164976782.db2.gz YSAFHYZFBVBXDB-UHFFFAOYSA-N -1 3 272.287 1.746 20 30 CDEDHM N#CCOc1ccc(CNCc2ccc(C(=O)[O-])[nH]2)cc1 ZINC001610622592 1165383164 /nfs/dbraw/zinc/38/31/64/1165383164.db2.gz BROYLIZBHBIFQJ-UHFFFAOYSA-N -1 3 285.303 1.905 20 30 CDEDHM CC(C)(C#N)CC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001567762211 1168958349 /nfs/dbraw/zinc/95/83/49/1168958349.db2.gz JKPRBLXHQZXGMM-UHFFFAOYSA-N -1 3 260.297 1.007 20 30 CDEDHM Cc1cc(OC(=O)c2coc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001581040741 1172583380 /nfs/dbraw/zinc/58/33/80/1172583380.db2.gz AKHXKZNVMVKFSP-UHFFFAOYSA-N -1 3 295.258 1.859 20 30 CDEDHM Cc1cc(OC(=O)c2coc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001581040741 1172583390 /nfs/dbraw/zinc/58/33/90/1172583390.db2.gz AKHXKZNVMVKFSP-UHFFFAOYSA-N -1 3 295.258 1.859 20 30 CDEDHM C#CCC(C)(C)C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588330674 1173033106 /nfs/dbraw/zinc/03/31/06/1173033106.db2.gz HYNHSJXNSYMTLS-UHFFFAOYSA-N -1 3 284.323 1.558 20 30 CDEDHM C#CCC(C)(C)C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588330674 1173033112 /nfs/dbraw/zinc/03/31/12/1173033112.db2.gz HYNHSJXNSYMTLS-UHFFFAOYSA-N -1 3 284.323 1.558 20 30 CDEDHM C=C[C@H](COC)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588525210 1173071808 /nfs/dbraw/zinc/07/18/08/1173071808.db2.gz DCSJYXXWYSDKLT-MRVPVSSYSA-N -1 3 280.719 1.528 20 30 CDEDHM C=C[C@H](COC)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588525210 1173071813 /nfs/dbraw/zinc/07/18/13/1173071813.db2.gz DCSJYXXWYSDKLT-MRVPVSSYSA-N -1 3 280.719 1.528 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588564844 1173083192 /nfs/dbraw/zinc/08/31/92/1173083192.db2.gz RHFDWPVIDUFOST-NSHDSACASA-N -1 3 283.335 1.966 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588564844 1173083196 /nfs/dbraw/zinc/08/31/96/1173083196.db2.gz RHFDWPVIDUFOST-NSHDSACASA-N -1 3 283.335 1.966 20 30 CDEDHM C=CCCCOC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588601160 1173086503 /nfs/dbraw/zinc/08/65/03/1173086503.db2.gz WRXWPJDEHQBFES-UHFFFAOYSA-N -1 3 273.296 1.693 20 30 CDEDHM C=CCCCOC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588601160 1173086508 /nfs/dbraw/zinc/08/65/08/1173086508.db2.gz WRXWPJDEHQBFES-UHFFFAOYSA-N -1 3 273.296 1.693 20 30 CDEDHM C=CCCCC(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001588595134 1173086866 /nfs/dbraw/zinc/08/68/66/1173086866.db2.gz ZGKPDTXLYITCSF-UHFFFAOYSA-N -1 3 258.285 1.557 20 30 CDEDHM C=CCCCC(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001588595134 1173086875 /nfs/dbraw/zinc/08/68/75/1173086875.db2.gz ZGKPDTXLYITCSF-UHFFFAOYSA-N -1 3 258.285 1.557 20 30 CDEDHM C=CCCCN(C)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588601506 1173087348 /nfs/dbraw/zinc/08/73/48/1173087348.db2.gz OVOVFMHIQRMNJF-UHFFFAOYSA-N -1 3 286.339 1.608 20 30 CDEDHM C=CCCCN(C)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588601506 1173087357 /nfs/dbraw/zinc/08/73/57/1173087357.db2.gz OVOVFMHIQRMNJF-UHFFFAOYSA-N -1 3 286.339 1.608 20 30 CDEDHM C=CCCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588603601 1173089501 /nfs/dbraw/zinc/08/95/01/1173089501.db2.gz QVMYQRCXPFVUOE-UHFFFAOYSA-N -1 3 274.284 1.787 20 30 CDEDHM C=CCCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588603601 1173089504 /nfs/dbraw/zinc/08/95/04/1173089504.db2.gz QVMYQRCXPFVUOE-UHFFFAOYSA-N -1 3 274.284 1.787 20 30 CDEDHM C=CCOCC(=O)Nc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001588680853 1173096593 /nfs/dbraw/zinc/09/65/93/1173096593.db2.gz FPSQANJFJWLCHQ-UHFFFAOYSA-N -1 3 288.311 1.020 20 30 CDEDHM C=CCOCC(=O)Nc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001588680853 1173096602 /nfs/dbraw/zinc/09/66/02/1173096602.db2.gz FPSQANJFJWLCHQ-UHFFFAOYSA-N -1 3 288.311 1.020 20 30 CDEDHM C=CCO[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001588665038 1173096844 /nfs/dbraw/zinc/09/68/44/1173096844.db2.gz CRSBTMBZAJETLK-VIFPVBQESA-N -1 3 292.368 1.413 20 30 CDEDHM C[C@H](C#N)OCCOc1ccc(-c2nnn[n-]2)cc1F ZINC001588934200 1173115426 /nfs/dbraw/zinc/11/54/26/1173115426.db2.gz FZIOABMEDSIBFI-MRVPVSSYSA-N -1 3 277.259 1.313 20 30 CDEDHM C[C@H](C#N)OCCOc1ccc(-c2nn[n-]n2)cc1F ZINC001588934200 1173115429 /nfs/dbraw/zinc/11/54/29/1173115429.db2.gz FZIOABMEDSIBFI-MRVPVSSYSA-N -1 3 277.259 1.313 20 30 CDEDHM CC(C)(CCC#N)CNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001589271927 1173131752 /nfs/dbraw/zinc/13/17/52/1173131752.db2.gz BRVSDGUUYGFGTK-UHFFFAOYSA-N -1 3 298.350 1.926 20 30 CDEDHM CC(C)(CCC#N)CNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001589271927 1173131757 /nfs/dbraw/zinc/13/17/57/1173131757.db2.gz BRVSDGUUYGFGTK-UHFFFAOYSA-N -1 3 298.350 1.926 20 30 CDEDHM C[C@@H](CC#N)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001589788584 1173182024 /nfs/dbraw/zinc/18/20/24/1173182024.db2.gz ZGZLZYYYIMZDBI-UWVGGRQHSA-N -1 3 284.323 1.594 20 30 CDEDHM C[C@@H](CC#N)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001589788584 1173182025 /nfs/dbraw/zinc/18/20/25/1173182025.db2.gz ZGZLZYYYIMZDBI-UWVGGRQHSA-N -1 3 284.323 1.594 20 30 CDEDHM CCN(CC#N)C(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001590680118 1173489233 /nfs/dbraw/zinc/48/92/33/1173489233.db2.gz VXCJVJXQEUUVMI-UHFFFAOYSA-N -1 3 295.306 1.334 20 30 CDEDHM CCN(CC#N)C(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001590680118 1173489239 /nfs/dbraw/zinc/48/92/39/1173489239.db2.gz VXCJVJXQEUUVMI-UHFFFAOYSA-N -1 3 295.306 1.334 20 30 CDEDHM COCCCNN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC001591415976 1173649811 /nfs/dbraw/zinc/64/98/11/1173649811.db2.gz FERWCBLWNBZRBO-UHFFFAOYSA-N -1 3 299.338 1.308 20 30 CDEDHM COCCCNN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC001591415976 1173649813 /nfs/dbraw/zinc/64/98/13/1173649813.db2.gz FERWCBLWNBZRBO-UHFFFAOYSA-N -1 3 299.338 1.308 20 30 CDEDHM C[C@@H](Nc1c(C#N)cccc1-c1nnn[n-]1)c1cnccn1 ZINC001591729722 1173692546 /nfs/dbraw/zinc/69/25/46/1173692546.db2.gz GDUCNUJSWLOVQI-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@H](Nc1c(C#N)cccc1-c1nn[n-]n1)c1cnccn1 ZINC001591729722 1173692548 /nfs/dbraw/zinc/69/25/48/1173692548.db2.gz GDUCNUJSWLOVQI-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM Cc1cc(CN2CCO[C@](C)(C#N)C2)ccc1-c1nnn[n-]1 ZINC001591964192 1173755577 /nfs/dbraw/zinc/75/55/77/1173755577.db2.gz BOBBPRODZUCJSK-OAHLLOKOSA-N -1 3 298.350 1.290 20 30 CDEDHM Cc1cc(CN2CCO[C@](C)(C#N)C2)ccc1-c1nn[n-]n1 ZINC001591964192 1173755580 /nfs/dbraw/zinc/75/55/80/1173755580.db2.gz BOBBPRODZUCJSK-OAHLLOKOSA-N -1 3 298.350 1.290 20 30 CDEDHM Cc1cc(COC(=O)C(C)(C)C#N)ccc1-c1nnn[n-]1 ZINC001591970224 1173762487 /nfs/dbraw/zinc/76/24/87/1173762487.db2.gz LGHOEPLEJPDEBB-UHFFFAOYSA-N -1 3 285.307 1.768 20 30 CDEDHM Cc1cc(COC(=O)C(C)(C)C#N)ccc1-c1nn[n-]n1 ZINC001591970224 1173762492 /nfs/dbraw/zinc/76/24/92/1173762492.db2.gz LGHOEPLEJPDEBB-UHFFFAOYSA-N -1 3 285.307 1.768 20 30 CDEDHM Cc1cc(NC(=O)c2c[nH]c(C#N)c2)cc(-c2nnn[n-]2)c1 ZINC001592029414 1173776596 /nfs/dbraw/zinc/77/65/96/1173776596.db2.gz PBZKHKZSYMXKPX-UHFFFAOYSA-N -1 3 293.290 1.627 20 30 CDEDHM Cc1cc(NC(=O)c2c[nH]c(C#N)c2)cc(-c2nn[n-]n2)c1 ZINC001592029414 1173776600 /nfs/dbraw/zinc/77/66/00/1173776600.db2.gz PBZKHKZSYMXKPX-UHFFFAOYSA-N -1 3 293.290 1.627 20 30 CDEDHM Cn1c(C(=O)N[C@@H](C#N)C2CCCC2)ccc1-c1nnn[n-]1 ZINC001592548320 1173920062 /nfs/dbraw/zinc/92/00/62/1173920062.db2.gz VRQXOESLDIRIDN-JTQLQIEISA-N -1 3 299.338 1.017 20 30 CDEDHM Cn1c(C(=O)N[C@@H](C#N)C2CCCC2)ccc1-c1nn[n-]n1 ZINC001592548320 1173920071 /nfs/dbraw/zinc/92/00/71/1173920071.db2.gz VRQXOESLDIRIDN-JTQLQIEISA-N -1 3 299.338 1.017 20 30 CDEDHM Fc1cc(C=NO[C@@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC001592638432 1173946712 /nfs/dbraw/zinc/94/67/12/1173946712.db2.gz SKOBXXDNFRIDLK-GFCCVEGCSA-N -1 3 291.286 1.883 20 30 CDEDHM Fc1cc(C=NO[C@@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC001592638432 1173946715 /nfs/dbraw/zinc/94/67/15/1173946715.db2.gz SKOBXXDNFRIDLK-GFCCVEGCSA-N -1 3 291.286 1.883 20 30 CDEDHM N#CCCCCC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001592675065 1173966910 /nfs/dbraw/zinc/96/69/10/1173966910.db2.gz QDGXFYZAFRSTSF-UHFFFAOYSA-N -1 3 296.334 1.793 20 30 CDEDHM N#CCCCCC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001592675065 1173966917 /nfs/dbraw/zinc/96/69/17/1173966917.db2.gz QDGXFYZAFRSTSF-UHFFFAOYSA-N -1 3 296.334 1.793 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCC=CO1 ZINC001592699531 1173973784 /nfs/dbraw/zinc/97/37/84/1173973784.db2.gz DAKXPXDGLGZWNW-NSHDSACASA-N -1 3 282.307 1.843 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCC=CO1 ZINC001592699531 1173973792 /nfs/dbraw/zinc/97/37/92/1173973792.db2.gz DAKXPXDGLGZWNW-NSHDSACASA-N -1 3 282.307 1.843 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1cn[nH]c1 ZINC001592700733 1173974412 /nfs/dbraw/zinc/97/44/12/1173974412.db2.gz RPPYHRVAPBIMSN-UHFFFAOYSA-N -1 3 252.241 1.205 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1cn[nH]c1 ZINC001592700733 1173974418 /nfs/dbraw/zinc/97/44/18/1173974418.db2.gz RPPYHRVAPBIMSN-UHFFFAOYSA-N -1 3 252.241 1.205 20 30 CDEDHM N#Cc1cc(CN[C@@]2(CC(=O)[O-])CCCOC2)cs1 ZINC001601088351 1174738269 /nfs/dbraw/zinc/73/82/69/1174738269.db2.gz SSOBDJJXYBEXET-CYBMUJFWSA-N -1 3 280.349 1.733 20 30 CDEDHM N#CC1([N-]S(=O)(=O)c2cc(F)cc(F)c2)CCC1 ZINC000119807033 1175157734 /nfs/dbraw/zinc/15/77/34/1175157734.db2.gz BABHQEOLAIIQRP-UHFFFAOYSA-N -1 3 272.276 1.689 20 30 CDEDHM C#C[C@H](NCc1csc(C(=O)[O-])c1)C1CCOCC1 ZINC001602678290 1175349662 /nfs/dbraw/zinc/34/96/62/1175349662.db2.gz LFCIUPUNJMHBBF-LBPRGKRZSA-N -1 3 279.361 1.964 20 30 CDEDHM C#C[C@H]1CCCC[C@@H]1OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001602691476 1175357187 /nfs/dbraw/zinc/35/71/87/1175357187.db2.gz YNSQHJSUDLSNFS-CABZTGNLSA-N -1 3 285.307 1.544 20 30 CDEDHM C#C[C@H]1CCCC[C@@H]1OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001602691476 1175357194 /nfs/dbraw/zinc/35/71/94/1175357194.db2.gz YNSQHJSUDLSNFS-CABZTGNLSA-N -1 3 285.307 1.544 20 30 CDEDHM C#CC[C@H]1CCCN(c2cc(-c3nnn[n-]3)cc(C)n2)C1 ZINC001602699759 1175362987 /nfs/dbraw/zinc/36/29/87/1175362987.db2.gz KEYPDNFTCMFJGR-LBPRGKRZSA-N -1 3 282.351 1.810 20 30 CDEDHM C#CC[C@H]1CCCN(c2cc(-c3nn[n-]n3)cc(C)n2)C1 ZINC001602699759 1175362990 /nfs/dbraw/zinc/36/29/90/1175362990.db2.gz KEYPDNFTCMFJGR-LBPRGKRZSA-N -1 3 282.351 1.810 20 30 CDEDHM C#CCNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001602724769 1175373576 /nfs/dbraw/zinc/37/35/76/1175373576.db2.gz GUFQSVXBFOOEOZ-UHFFFAOYSA-N -1 3 293.290 1.494 20 30 CDEDHM C#CCNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001602724769 1175373579 /nfs/dbraw/zinc/37/35/79/1175373579.db2.gz GUFQSVXBFOOEOZ-UHFFFAOYSA-N -1 3 293.290 1.494 20 30 CDEDHM C=C(C)CCOC(=O)c1cnccc1-c1nnn[n-]1 ZINC001602758698 1175391036 /nfs/dbraw/zinc/39/10/36/1175391036.db2.gz NXDLEJYCRHXFBD-UHFFFAOYSA-N -1 3 259.269 1.385 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001602822611 1175418971 /nfs/dbraw/zinc/41/89/71/1175418971.db2.gz CSWLGSLXVNBVHD-SNVBAGLBSA-N -1 3 287.298 1.796 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001602822611 1175418975 /nfs/dbraw/zinc/41/89/75/1175418975.db2.gz CSWLGSLXVNBVHD-SNVBAGLBSA-N -1 3 287.298 1.796 20 30 CDEDHM C=CCN(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001602847318 1175431852 /nfs/dbraw/zinc/43/18/52/1175431852.db2.gz PSLWWFJUWIQDQH-UHFFFAOYSA-N -1 3 297.322 1.535 20 30 CDEDHM C=CCN(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001602847318 1175431857 /nfs/dbraw/zinc/43/18/57/1175431857.db2.gz PSLWWFJUWIQDQH-UHFFFAOYSA-N -1 3 297.322 1.535 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1NCc1cc(C(=O)[O-])oc1C ZINC001602942167 1175454760 /nfs/dbraw/zinc/45/47/60/1175454760.db2.gz SBEAZMOZAKMBML-MNOVXSKESA-N -1 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C[C@@H](CC#N)[N-]S(=O)(=O)c1cnccc1Cl ZINC000070588210 1158620965 /nfs/dbraw/zinc/62/09/65/1158620965.db2.gz XJYLGJXEWPMRDH-ZETCQYMHSA-N -1 3 259.718 1.315 20 30 CDEDHM C=CCOCC(COCC=C)Oc1ccnc(=S)[n-]1 ZINC001226940725 1160265631 /nfs/dbraw/zinc/26/56/31/1160265631.db2.gz UOPVSZFRLYJNDX-UHFFFAOYSA-N -1 3 282.365 1.918 20 30 CDEDHM Cc1cc(C)c(-c2nnn[n-]2)c(NC(=O)[C@H](C)CC#N)n1 ZINC001605633252 1163630892 /nfs/dbraw/zinc/63/08/92/1163630892.db2.gz BLNYGXNFOJPBNR-SSDOTTSWSA-N -1 3 285.311 1.367 20 30 CDEDHM N#CCCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001606348216 1163873519 /nfs/dbraw/zinc/87/35/19/1163873519.db2.gz OVWKRBYCXXKSDC-UHFFFAOYSA-N -1 3 285.311 1.674 20 30 CDEDHM N#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001606348216 1163873526 /nfs/dbraw/zinc/87/35/26/1163873526.db2.gz OVWKRBYCXXKSDC-UHFFFAOYSA-N -1 3 285.311 1.674 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCC1(O)CCC1 ZINC001606379487 1163883132 /nfs/dbraw/zinc/88/31/32/1163883132.db2.gz AOBXAKQTTNPQSZ-UHFFFAOYSA-N -1 3 284.323 1.455 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCC1(O)CCC1 ZINC001606379487 1163883134 /nfs/dbraw/zinc/88/31/34/1163883134.db2.gz AOBXAKQTTNPQSZ-UHFFFAOYSA-N -1 3 284.323 1.455 20 30 CDEDHM N#Cc1cccc(SCc2ncc(-c3nnn[n-]3)cn2)c1 ZINC001606381876 1163884622 /nfs/dbraw/zinc/88/46/22/1163884622.db2.gz NDAIBBUAPMNKOQ-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM N#Cc1cccc(SCc2ncc(-c3nn[n-]n3)cn2)c1 ZINC001606381876 1163884624 /nfs/dbraw/zinc/88/46/24/1163884624.db2.gz NDAIBBUAPMNKOQ-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM O=C(OCC#CC1CCCCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001606963661 1164041518 /nfs/dbraw/zinc/04/15/18/1164041518.db2.gz FZKRFEWBNNUOBB-UHFFFAOYSA-N -1 3 299.334 1.935 20 30 CDEDHM O=C(OCC#CC1CCCCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001606963661 1164041525 /nfs/dbraw/zinc/04/15/25/1164041525.db2.gz FZKRFEWBNNUOBB-UHFFFAOYSA-N -1 3 299.334 1.935 20 30 CDEDHM C[C@H](C#N)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001609067305 1164753037 /nfs/dbraw/zinc/75/30/37/1164753037.db2.gz FHJDHLGZOBODCD-PELKAZGASA-N -1 3 282.307 1.130 20 30 CDEDHM C[C@@H](Nc1cc(C#N)ncn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609126388 1164781800 /nfs/dbraw/zinc/78/18/00/1164781800.db2.gz QSLXZEXGMZMORK-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@H](Nc1cc(C#N)ncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609126388 1164781806 /nfs/dbraw/zinc/78/18/06/1164781806.db2.gz QSLXZEXGMZMORK-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM CC1(C#N)CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001609142277 1164789590 /nfs/dbraw/zinc/78/95/90/1164789590.db2.gz RQLPXSAUPWLCBX-UHFFFAOYSA-N -1 3 283.295 1.244 20 30 CDEDHM CC1(C#N)CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001609142277 1164789596 /nfs/dbraw/zinc/78/95/96/1164789596.db2.gz RQLPXSAUPWLCBX-UHFFFAOYSA-N -1 3 283.295 1.244 20 30 CDEDHM O=C(NO)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001609560123 1164989087 /nfs/dbraw/zinc/98/90/87/1164989087.db2.gz WJOUSSMOWZQRFW-UHFFFAOYSA-N -1 3 281.275 1.653 20 30 CDEDHM O=C(NO)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001609560123 1164989095 /nfs/dbraw/zinc/98/90/95/1164989095.db2.gz WJOUSSMOWZQRFW-UHFFFAOYSA-N -1 3 281.275 1.653 20 30 CDEDHM O=C1C(=Cc2ncc[nH]2)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001609585816 1164999486 /nfs/dbraw/zinc/99/94/86/1164999486.db2.gz GRFNIYGZGMESQD-YFHOEESVSA-N -1 3 278.275 1.412 20 30 CDEDHM O=C1C(=Cc2ncc[nH]2)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001609585816 1164999490 /nfs/dbraw/zinc/99/94/90/1164999490.db2.gz GRFNIYGZGMESQD-YFHOEESVSA-N -1 3 278.275 1.412 20 30 CDEDHM Cc1cc2n[n-]c(NC(=O)c3ccc(C#N)o3)c2c(=O)n1C ZINC001630671420 1166222552 /nfs/dbraw/zinc/22/25/52/1166222552.db2.gz MESVVVFSIRSWMB-UHFFFAOYSA-N -1 3 297.274 1.287 20 30 CDEDHM Cc1ccc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)cc1F ZINC001581202782 1172594003 /nfs/dbraw/zinc/59/40/03/1172594003.db2.gz XZEMEIWJJUJACY-UHFFFAOYSA-N -1 3 298.285 1.013 20 30 CDEDHM Cc1ccc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)cc1F ZINC001581202782 1172594007 /nfs/dbraw/zinc/59/40/07/1172594007.db2.gz XZEMEIWJJUJACY-UHFFFAOYSA-N -1 3 298.285 1.013 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588325367 1172629054 /nfs/dbraw/zinc/62/90/54/1172629054.db2.gz KCWFASXQLJWYAA-QMMMGPOBSA-N -1 3 273.271 1.100 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588325367 1172629058 /nfs/dbraw/zinc/62/90/58/1172629058.db2.gz KCWFASXQLJWYAA-QMMMGPOBSA-N -1 3 273.271 1.100 20 30 CDEDHM C#C[C@](C)(CC)NC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588325820 1173024065 /nfs/dbraw/zinc/02/40/65/1173024065.db2.gz WPQSADQJHNYLKC-OAHLLOKOSA-N -1 3 283.335 1.707 20 30 CDEDHM C#C[C@](C)(CC)NC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588325820 1173024070 /nfs/dbraw/zinc/02/40/70/1173024070.db2.gz WPQSADQJHNYLKC-OAHLLOKOSA-N -1 3 283.335 1.707 20 30 CDEDHM C#CC(C)(C)NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588325537 1173024679 /nfs/dbraw/zinc/02/46/79/1173024679.db2.gz OHFWEWDBKPAGSA-UHFFFAOYSA-N -1 3 288.286 1.539 20 30 CDEDHM C#CC(C)(C)NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588325537 1173024686 /nfs/dbraw/zinc/02/46/86/1173024686.db2.gz OHFWEWDBKPAGSA-UHFFFAOYSA-N -1 3 288.286 1.539 20 30 CDEDHM C#C[C@@H](CC)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588326236 1173026814 /nfs/dbraw/zinc/02/68/14/1173026814.db2.gz HOOPFBBBYHCJOT-QWRGUYRKSA-N -1 3 299.334 1.162 20 30 CDEDHM C#C[C@@H](CC)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588326236 1173026821 /nfs/dbraw/zinc/02/68/21/1173026821.db2.gz HOOPFBBBYHCJOT-QWRGUYRKSA-N -1 3 299.334 1.162 20 30 CDEDHM C#CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001588331433 1173032887 /nfs/dbraw/zinc/03/28/87/1173032887.db2.gz SDONBRRVEIFDOD-UHFFFAOYSA-N -1 3 299.309 1.491 20 30 CDEDHM C#CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588331433 1173032892 /nfs/dbraw/zinc/03/28/92/1173032892.db2.gz SDONBRRVEIFDOD-UHFFFAOYSA-N -1 3 299.309 1.491 20 30 CDEDHM C#CC1CCN(c2nnc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC001588330770 1173034397 /nfs/dbraw/zinc/03/43/97/1173034397.db2.gz JNRHWJUDXMEXBS-UHFFFAOYSA-N -1 3 283.339 1.123 20 30 CDEDHM C#CC1CCN(c2nnc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC001588330770 1173034404 /nfs/dbraw/zinc/03/44/04/1173034404.db2.gz JNRHWJUDXMEXBS-UHFFFAOYSA-N -1 3 283.339 1.123 20 30 CDEDHM C#CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588337267 1173041345 /nfs/dbraw/zinc/04/13/45/1173041345.db2.gz MCLAPAYICPVKCE-LLVKDONJSA-N -1 3 296.334 1.744 20 30 CDEDHM C#CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588337267 1173041353 /nfs/dbraw/zinc/04/13/53/1173041353.db2.gz MCLAPAYICPVKCE-LLVKDONJSA-N -1 3 296.334 1.744 20 30 CDEDHM C#CC[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001588337588 1173042103 /nfs/dbraw/zinc/04/21/03/1173042103.db2.gz STDMHSAQKOGBIF-JTQLQIEISA-N -1 3 298.306 1.625 20 30 CDEDHM C#C[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)[nH]c2C)CC1 ZINC001588364297 1173053982 /nfs/dbraw/zinc/05/39/82/1173053982.db2.gz ABABIEOWKYQVSB-XYPYZODXSA-N -1 3 298.350 1.425 20 30 CDEDHM C#C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)[nH]c2C)CC1 ZINC001588364297 1173053991 /nfs/dbraw/zinc/05/39/91/1173053991.db2.gz ABABIEOWKYQVSB-XYPYZODXSA-N -1 3 298.350 1.425 20 30 CDEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cnccn1 ZINC001588381442 1173056207 /nfs/dbraw/zinc/05/62/07/1173056207.db2.gz CGCAYRCTRNFLNH-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cnccn1 ZINC001588381442 1173056213 /nfs/dbraw/zinc/05/62/13/1173056213.db2.gz CGCAYRCTRNFLNH-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM C=C(C)CNC(=S)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588430044 1173064254 /nfs/dbraw/zinc/06/42/54/1173064254.db2.gz LAWRQDJMJUVYNK-UHFFFAOYSA-N -1 3 288.380 1.407 20 30 CDEDHM C=C(C)CNC(=S)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588430044 1173064258 /nfs/dbraw/zinc/06/42/58/1173064258.db2.gz LAWRQDJMJUVYNK-UHFFFAOYSA-N -1 3 288.380 1.407 20 30 CDEDHM C=C[C@H](C)ONC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588518640 1173073276 /nfs/dbraw/zinc/07/32/76/1173073276.db2.gz HZQGYXBJDFOBGV-ZETCQYMHSA-N -1 3 292.274 1.633 20 30 CDEDHM C=C[C@H](C)ONC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588518640 1173073281 /nfs/dbraw/zinc/07/32/81/1173073281.db2.gz HZQGYXBJDFOBGV-ZETCQYMHSA-N -1 3 292.274 1.633 20 30 CDEDHM C=CCCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588600497 1173087242 /nfs/dbraw/zinc/08/72/42/1173087242.db2.gz DLUTXFNOTYRZRB-MDZDMXLPSA-N -1 3 283.335 1.962 20 30 CDEDHM C=CCCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588600497 1173087248 /nfs/dbraw/zinc/08/72/48/1173087248.db2.gz DLUTXFNOTYRZRB-MDZDMXLPSA-N -1 3 283.335 1.962 20 30 CDEDHM C[C@@H](CC#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589786579 1173179417 /nfs/dbraw/zinc/17/94/17/1173179417.db2.gz IZSIUNHODSSZTO-ZETCQYMHSA-N -1 3 274.259 1.494 20 30 CDEDHM C[C@@H](CC#N)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589786579 1173179421 /nfs/dbraw/zinc/17/94/21/1173179421.db2.gz IZSIUNHODSSZTO-ZETCQYMHSA-N -1 3 274.259 1.494 20 30 CDEDHM C[C@@H](CC#N)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589786735 1173180245 /nfs/dbraw/zinc/18/02/45/1173180245.db2.gz BHLFFNHVAPGBPE-ZETCQYMHSA-N -1 3 273.256 1.489 20 30 CDEDHM C[C@@H](CC#N)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589786735 1173180247 /nfs/dbraw/zinc/18/02/47/1173180247.db2.gz BHLFFNHVAPGBPE-ZETCQYMHSA-N -1 3 273.256 1.489 20 30 CDEDHM C[C@@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589787657 1173181543 /nfs/dbraw/zinc/18/15/43/1173181543.db2.gz ODNGZTBVAQEFQK-TVYUQYBPSA-N -1 3 296.334 1.389 20 30 CDEDHM C[C@@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001589787657 1173181545 /nfs/dbraw/zinc/18/15/45/1173181545.db2.gz ODNGZTBVAQEFQK-TVYUQYBPSA-N -1 3 296.334 1.389 20 30 CDEDHM C[C@@H](Nc1ccncc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589986647 1173220689 /nfs/dbraw/zinc/22/06/89/1173220689.db2.gz OZPWKLBUTVCWKI-SNVBAGLBSA-N -1 3 291.318 1.728 20 30 CDEDHM C[C@@H](Nc1ccncc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589986647 1173220693 /nfs/dbraw/zinc/22/06/93/1173220693.db2.gz OZPWKLBUTVCWKI-SNVBAGLBSA-N -1 3 291.318 1.728 20 30 CDEDHM C[C@@]1(C#N)CCN(c2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001590057001 1173242558 /nfs/dbraw/zinc/24/25/58/1173242558.db2.gz WDFFNIXZUDKGAO-ZDUSSCGKSA-N -1 3 272.287 1.746 20 30 CDEDHM C[C@@]1(C#N)CCN(c2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001590057001 1173242563 /nfs/dbraw/zinc/24/25/63/1173242563.db2.gz WDFFNIXZUDKGAO-ZDUSSCGKSA-N -1 3 272.287 1.746 20 30 CDEDHM C[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2)CO1 ZINC001590182000 1173281431 /nfs/dbraw/zinc/28/14/31/1173281431.db2.gz WSZVXMVFFZNYQO-MRVPVSSYSA-N -1 3 258.285 1.443 20 30 CDEDHM C[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001590182000 1173281437 /nfs/dbraw/zinc/28/14/37/1173281437.db2.gz WSZVXMVFFZNYQO-MRVPVSSYSA-N -1 3 258.285 1.443 20 30 CDEDHM CCOCCON=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001590816942 1173520489 /nfs/dbraw/zinc/52/04/89/1173520489.db2.gz VVAGFBYVQKNYNX-UHFFFAOYSA-N -1 3 287.323 1.570 20 30 CDEDHM CCOCCON=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001590816942 1173520493 /nfs/dbraw/zinc/52/04/93/1173520493.db2.gz VVAGFBYVQKNYNX-UHFFFAOYSA-N -1 3 287.323 1.570 20 30 CDEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@H]2C#N)s1 ZINC001590875247 1173534145 /nfs/dbraw/zinc/53/41/45/1173534145.db2.gz OHRSWGBLMHDSBN-HTRCEHHLSA-N -1 3 288.336 1.589 20 30 CDEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@H]2C#N)s1 ZINC001590875247 1173534147 /nfs/dbraw/zinc/53/41/47/1173534147.db2.gz OHRSWGBLMHDSBN-HTRCEHHLSA-N -1 3 288.336 1.589 20 30 CDEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1ccc(C#N)cn1 ZINC001591131661 1173573963 /nfs/dbraw/zinc/57/39/63/1173573963.db2.gz VWXPNEPCNPJCCO-UHFFFAOYSA-N -1 3 297.347 1.831 20 30 CDEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1ccc(C#N)cn1 ZINC001591131661 1173573968 /nfs/dbraw/zinc/57/39/68/1173573968.db2.gz VWXPNEPCNPJCCO-UHFFFAOYSA-N -1 3 297.347 1.831 20 30 CDEDHM CN(Cc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001591140567 1173576994 /nfs/dbraw/zinc/57/69/94/1173576994.db2.gz NWFOHGVVGUKMGD-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM CN(Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001591140567 1173577002 /nfs/dbraw/zinc/57/70/02/1173577002.db2.gz NWFOHGVVGUKMGD-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM COCC1(CCNc2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001591388015 1173639682 /nfs/dbraw/zinc/63/96/82/1173639682.db2.gz OUDKPLKRFVIPTE-UHFFFAOYSA-N -1 3 298.350 1.967 20 30 CDEDHM COCC1(CCNc2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001591388015 1173639686 /nfs/dbraw/zinc/63/96/86/1173639686.db2.gz OUDKPLKRFVIPTE-UHFFFAOYSA-N -1 3 298.350 1.967 20 30 CDEDHM COCCC(C)N=Nc1ccc(-c2nnn[n-]2)cn1 ZINC001591398550 1173645017 /nfs/dbraw/zinc/64/50/17/1173645017.db2.gz WVZKPYJAKWKGSZ-UHFFFAOYSA-N -1 3 261.289 1.086 20 30 CDEDHM COCCC(C)N=Nc1ccc(-c2nn[n-]n2)cn1 ZINC001591398550 1173645022 /nfs/dbraw/zinc/64/50/22/1173645022.db2.gz WVZKPYJAKWKGSZ-UHFFFAOYSA-N -1 3 261.289 1.086 20 30 CDEDHM COc1cc(Oc2ccc(C#N)nn2)ccc1-c1nnn[n-]1 ZINC001591554560 1173667824 /nfs/dbraw/zinc/66/78/24/1173667824.db2.gz DNYOURKTHCCWGE-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM COc1cc(Oc2ccc(C#N)nn2)ccc1-c1nn[n-]n1 ZINC001591554560 1173667828 /nfs/dbraw/zinc/66/78/28/1173667828.db2.gz DNYOURKTHCCWGE-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM COc1cc(OCCCC#N)cc(-c2nnn[n-]2)c1 ZINC001591554207 1173669382 /nfs/dbraw/zinc/66/93/82/1173669382.db2.gz SXGGALRJXORPLU-UHFFFAOYSA-N -1 3 259.269 1.558 20 30 CDEDHM COc1cc(OCCCC#N)cc(-c2nn[n-]n2)c1 ZINC001591554207 1173669388 /nfs/dbraw/zinc/66/93/88/1173669388.db2.gz SXGGALRJXORPLU-UHFFFAOYSA-N -1 3 259.269 1.558 20 30 CDEDHM Cc1cc(C#N)nc(Oc2ccc(-c3nnn[n-]3)cc2C)n1 ZINC001591906847 1173744409 /nfs/dbraw/zinc/74/44/09/1173744409.db2.gz KXPPJZTTYCMFGW-UHFFFAOYSA-N -1 3 293.290 1.938 20 30 CDEDHM Cc1cc(C#N)nc(Oc2ccc(-c3nn[n-]n3)cc2C)n1 ZINC001591906847 1173744412 /nfs/dbraw/zinc/74/44/12/1173744412.db2.gz KXPPJZTTYCMFGW-UHFFFAOYSA-N -1 3 293.290 1.938 20 30 CDEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)CC#N ZINC001591981915 1173764616 /nfs/dbraw/zinc/76/46/16/1173764616.db2.gz JOXJTUVDVBCYOU-UHFFFAOYSA-N -1 3 260.232 1.166 20 30 CDEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)CC#N ZINC001591981915 1173764620 /nfs/dbraw/zinc/76/46/20/1173764620.db2.gz JOXJTUVDVBCYOU-UHFFFAOYSA-N -1 3 260.232 1.166 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccnc(C#N)c2)n1 ZINC001592092481 1173795870 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CC[C@@H](C[C@@H](C)O)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604016622 1175721685 /nfs/dbraw/zinc/72/16/85/1175721685.db2.gz USDOEDCZWBVKEJ-KOLCDFICSA-N -1 3 286.339 1.700 20 30 CDEDHM CC[C@@H](C[C@@H](C)O)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604016622 1175721689 /nfs/dbraw/zinc/72/16/89/1175721689.db2.gz USDOEDCZWBVKEJ-KOLCDFICSA-N -1 3 286.339 1.700 20 30 CDEDHM COC(=O)[C@H]1CCN(CC2(CC#N)CC2)[C@@H](C(=O)[O-])C1 ZINC001606409321 1163892705 /nfs/dbraw/zinc/89/27/05/1163892705.db2.gz FURXDTUJVJQTQS-WDEREUQCSA-N -1 3 280.324 1.018 20 30 CDEDHM C#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001609018696 1164725615 /nfs/dbraw/zinc/72/56/15/1164725615.db2.gz DFDKXQZRCOUYIT-GFCCVEGCSA-N -1 3 283.335 1.644 20 30 CDEDHM C#C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001609018696 1164725618 /nfs/dbraw/zinc/72/56/18/1164725618.db2.gz DFDKXQZRCOUYIT-GFCCVEGCSA-N -1 3 283.335 1.644 20 30 CDEDHM C=C[C@@H](N[C@H](CC)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001609266823 1164872971 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Cc1ccc2cc(C(=O)N[C@@H]3CCCN([O-])C3=O)ccc2n1 ZINC000820476172 769328426 /nfs/dbraw/zinc/32/84/26/769328426.db2.gz JDDVWZYHCZMPND-CQSZACIVSA-N -1 3 299.330 1.653 20 30 CDEDHM N#CCN[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000980911364 769389142 /nfs/dbraw/zinc/38/91/42/769389142.db2.gz MVVKWHDRPIAKMK-NWDGAFQWSA-N -1 3 273.336 1.546 20 30 CDEDHM Cc1noc([C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000811186826 769410326 /nfs/dbraw/zinc/41/03/26/769410326.db2.gz ZYZCEXJGISGOAT-ZETCQYMHSA-N -1 3 273.248 1.873 20 30 CDEDHM C=CCO[N-]C(=O)CCC(C)(C)C(=O)NOCC=C ZINC000837048240 769739822 /nfs/dbraw/zinc/73/98/22/769739822.db2.gz OJQAHSMXWMDMEG-UHFFFAOYSA-N -1 3 270.329 1.260 20 30 CDEDHM C#CCN1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001027761538 770278423 /nfs/dbraw/zinc/27/84/23/770278423.db2.gz QDYRSELQFQWPGA-LBPRGKRZSA-N -1 3 258.321 1.220 20 30 CDEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000867320770 770669683 /nfs/dbraw/zinc/66/96/83/770669683.db2.gz BMQCBZKAVPWQBB-ZDUSSCGKSA-N -1 3 280.324 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576869333 /nfs/dbraw/zinc/86/93/33/576869333.db2.gz IHQBKXBMNINMKZ-UHFFFAOYSA-N -1 3 275.308 1.773 20 30 CDEDHM Cc1cccnc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000750688567 577000195 /nfs/dbraw/zinc/00/01/95/577000195.db2.gz FPZZHLATRUAWSA-NSHDSACASA-N -1 3 280.287 1.746 20 30 CDEDHM CCO[C@@H]1COCC[C@@H]1/N=C/c1ccc(O)c([O-])c1O ZINC000758815420 577134043 /nfs/dbraw/zinc/13/40/43/577134043.db2.gz LSZVKNSCTJMHOT-UXHOLWOZSA-N -1 3 281.308 1.416 20 30 CDEDHM C#CCCCC(=O)O[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000759176219 577157334 /nfs/dbraw/zinc/15/73/34/577157334.db2.gz NJTSEASEHFXPQZ-JTQLQIEISA-N -1 3 264.281 1.657 20 30 CDEDHM Cc1ccc([O-])c(NC(=O)COc2cccc(C#N)c2)n1 ZINC000753464677 577170562 /nfs/dbraw/zinc/17/05/62/577170562.db2.gz HHCYAFVPMUHRIA-UHFFFAOYSA-N -1 3 283.287 1.985 20 30 CDEDHM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000819810876 597644832 /nfs/dbraw/zinc/64/48/32/597644832.db2.gz GXHRONVJEXKRNR-WFASDCNBSA-N -1 3 293.367 1.078 20 30 CDEDHM C[C@H](C(=O)[O-])N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000817791698 601005343 /nfs/dbraw/zinc/00/53/43/601005343.db2.gz PGVVZFINPPZINC-TZMCWYRMSA-N -1 3 273.336 1.342 20 30 CDEDHM N#CCCCCNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000701324423 598747790 /nfs/dbraw/zinc/74/77/90/598747790.db2.gz LQNLRYKZUDWGAP-UHFFFAOYSA-N -1 3 270.296 1.290 20 30 CDEDHM N#CCCCCNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000701324423 598747792 /nfs/dbraw/zinc/74/77/92/598747792.db2.gz LQNLRYKZUDWGAP-UHFFFAOYSA-N -1 3 270.296 1.290 20 30 CDEDHM C=C(Cl)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000134809547 599389784 /nfs/dbraw/zinc/38/97/84/599389784.db2.gz BBBZEZNVLYPSLE-UHFFFAOYSA-N -1 3 263.688 1.349 20 30 CDEDHM C=C(Cl)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000134809547 599389786 /nfs/dbraw/zinc/38/97/86/599389786.db2.gz BBBZEZNVLYPSLE-UHFFFAOYSA-N -1 3 263.688 1.349 20 30 CDEDHM CC#CCOC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823942621 607382053 /nfs/dbraw/zinc/38/20/53/607382053.db2.gz HCMPGNKIVXGKAN-UHFFFAOYSA-N -1 3 256.265 1.355 20 30 CDEDHM CC#CCOC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823942621 607382055 /nfs/dbraw/zinc/38/20/55/607382055.db2.gz HCMPGNKIVXGKAN-UHFFFAOYSA-N -1 3 256.265 1.355 20 30 CDEDHM C#CCN(CC#CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819697588 599581668 /nfs/dbraw/zinc/58/16/68/599581668.db2.gz IIMRKXSCEKLLJJ-UHFFFAOYSA-N -1 3 265.320 1.325 20 30 CDEDHM COc1ccc(-c2nn[n-]n2)cc1CN(C)C[C@@H](C)C#N ZINC000826182005 607524826 /nfs/dbraw/zinc/52/48/26/607524826.db2.gz WHRKIJFHIAKVCU-JTQLQIEISA-N -1 3 286.339 1.467 20 30 CDEDHM COC[C@](C)(CC(=O)[O-])NCc1cc(C#N)ccc1OC ZINC000833722445 604954324 /nfs/dbraw/zinc/95/43/24/604954324.db2.gz VLTIAYVETVKLKU-HNNXBMFYSA-N -1 3 292.335 1.536 20 30 CDEDHM C=C(C)C[C@@H](CO)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC001602750153 1175385549 /nfs/dbraw/zinc/38/55/49/1175385549.db2.gz NCNHNTLTPYJPAJ-GZTOBOFZSA-N -1 3 265.309 1.794 20 30 CDEDHM c1sc(CN=Nc2cccnn2)cc1-c1nnn[n-]1 ZINC000819718944 606205352 /nfs/dbraw/zinc/20/53/52/606205352.db2.gz VJDSJPBONBYRFX-UHFFFAOYSA-N -1 3 272.297 1.164 20 30 CDEDHM c1sc(CN=Nc2cccnn2)cc1-c1nn[n-]n1 ZINC000819718944 606205353 /nfs/dbraw/zinc/20/53/53/606205353.db2.gz VJDSJPBONBYRFX-UHFFFAOYSA-N -1 3 272.297 1.164 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819722257 606247617 /nfs/dbraw/zinc/24/76/17/606247617.db2.gz FMQZBYYKXKRVSF-UHFFFAOYSA-N -1 3 260.301 1.233 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819722257 606247619 /nfs/dbraw/zinc/24/76/19/606247619.db2.gz FMQZBYYKXKRVSF-UHFFFAOYSA-N -1 3 260.301 1.233 20 30 CDEDHM C=C[C@H](C)ONC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001602799932 1175405557 /nfs/dbraw/zinc/40/55/57/1175405557.db2.gz HTYFFXYPQIMEFD-ZETCQYMHSA-N -1 3 277.259 1.242 20 30 CDEDHM C=C[C@H](C)ONC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001602799932 1175405562 /nfs/dbraw/zinc/40/55/62/1175405562.db2.gz HTYFFXYPQIMEFD-ZETCQYMHSA-N -1 3 277.259 1.242 20 30 CDEDHM N#CC1(OC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000822800899 606801652 /nfs/dbraw/zinc/80/16/52/606801652.db2.gz ALUUKOVXLXIKIR-UHFFFAOYSA-N -1 3 299.290 1.235 20 30 CDEDHM C=C[C@H](C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819730004 606813468 /nfs/dbraw/zinc/81/34/68/606813468.db2.gz PIFXAGXCPJLRCI-DDXVTDLHSA-N -1 3 269.308 1.571 20 30 CDEDHM C=C[C@H](C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819730004 606813470 /nfs/dbraw/zinc/81/34/70/606813470.db2.gz PIFXAGXCPJLRCI-DDXVTDLHSA-N -1 3 269.308 1.571 20 30 CDEDHM C#CCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)C1CCCC1 ZINC000819697319 606830885 /nfs/dbraw/zinc/83/08/85/606830885.db2.gz AHZCOILGDGEARE-UHFFFAOYSA-N -1 3 298.350 1.223 20 30 CDEDHM C#CCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)C1CCCC1 ZINC000819697319 606830886 /nfs/dbraw/zinc/83/08/86/606830886.db2.gz AHZCOILGDGEARE-UHFFFAOYSA-N -1 3 298.350 1.223 20 30 CDEDHM C#CCCCCNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000819692396 606955418 /nfs/dbraw/zinc/95/54/18/606955418.db2.gz FGNSELSTKMNZQI-UHFFFAOYSA-N -1 3 299.334 1.165 20 30 CDEDHM C#CCCCCNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000819692396 606955420 /nfs/dbraw/zinc/95/54/20/606955420.db2.gz FGNSELSTKMNZQI-UHFFFAOYSA-N -1 3 299.334 1.165 20 30 CDEDHM C=C[C@@H](NCc1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC001602818854 1175416394 /nfs/dbraw/zinc/41/63/94/1175416394.db2.gz GXKKYXCWXIKXOF-MRVPVSSYSA-N -1 3 271.219 1.737 20 30 CDEDHM C=CCNC(=S)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819751153 607251600 /nfs/dbraw/zinc/25/16/00/607251600.db2.gz SGCPOQIOVKDPJW-UHFFFAOYSA-N -1 3 274.353 1.648 20 30 CDEDHM C=CCNC(=S)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819751153 607251601 /nfs/dbraw/zinc/25/16/01/607251601.db2.gz SGCPOQIOVKDPJW-UHFFFAOYSA-N -1 3 274.353 1.648 20 30 CDEDHM COc1ccnc(N=NCc2ccccc2-c2nnn[n-]2)n1 ZINC000826221146 607886278 /nfs/dbraw/zinc/88/62/78/607886278.db2.gz RECBFAKEZRITTD-UHFFFAOYSA-N -1 3 296.294 1.111 20 30 CDEDHM COc1ccnc(N=NCc2ccccc2-c2nn[n-]n2)n1 ZINC000826221146 607886279 /nfs/dbraw/zinc/88/62/79/607886279.db2.gz RECBFAKEZRITTD-UHFFFAOYSA-N -1 3 296.294 1.111 20 30 CDEDHM N#Cc1ccc(OCCn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000826386294 607891239 /nfs/dbraw/zinc/89/12/39/607891239.db2.gz XVMROANPUUBJKL-UHFFFAOYSA-N -1 3 280.291 1.619 20 30 CDEDHM N#Cc1ccc(OCCn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000826386294 607891240 /nfs/dbraw/zinc/89/12/40/607891240.db2.gz XVMROANPUUBJKL-UHFFFAOYSA-N -1 3 280.291 1.619 20 30 CDEDHM COCC#CCSc1ccccc1-c1nn[n-]n1 ZINC000826147082 608097219 /nfs/dbraw/zinc/09/72/19/608097219.db2.gz NCERYZJBCWDYNL-UHFFFAOYSA-N -1 3 260.322 1.609 20 30 CDEDHM COCC#CCSc1ccccc1-c1nnn[n-]1 ZINC000826147082 608097218 /nfs/dbraw/zinc/09/72/18/608097218.db2.gz NCERYZJBCWDYNL-UHFFFAOYSA-N -1 3 260.322 1.609 20 30 CDEDHM C=CC[C@@H](CO)CNCc1ccc(/C=C/C(=O)[O-])o1 ZINC001602842124 1175429837 /nfs/dbraw/zinc/42/98/37/1175429837.db2.gz CYLGDKXNMIYJLG-XUIVZRPNSA-N -1 3 265.309 1.652 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C#N)nn1 ZINC000826176300 608390116 /nfs/dbraw/zinc/39/01/16/608390116.db2.gz JIMYUQFHFUHVOE-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C#N)nn1 ZINC000826176300 608390118 /nfs/dbraw/zinc/39/01/18/608390118.db2.gz JIMYUQFHFUHVOE-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM CC(N=Nc1ncccn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962244 609159811 /nfs/dbraw/zinc/15/98/11/609159811.db2.gz HZODXGIVHYFAAD-UHFFFAOYSA-N -1 3 298.285 1.632 20 30 CDEDHM CC(N=Nc1ncccn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962244 609159813 /nfs/dbraw/zinc/15/98/13/609159813.db2.gz HZODXGIVHYFAAD-UHFFFAOYSA-N -1 3 298.285 1.632 20 30 CDEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000826359385 609270592 /nfs/dbraw/zinc/27/05/92/609270592.db2.gz FMXBXXUYLYNBOA-DJWKRKHSSA-N -1 3 298.281 1.635 20 30 CDEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000826359385 609270594 /nfs/dbraw/zinc/27/05/94/609270594.db2.gz FMXBXXUYLYNBOA-DJWKRKHSSA-N -1 3 298.281 1.635 20 30 CDEDHM O=C(C=Cc1cn[nH]c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403046 609271407 /nfs/dbraw/zinc/27/14/07/609271407.db2.gz IQKVUBSHNOTVIN-RJRFIUFISA-N -1 3 284.254 1.625 20 30 CDEDHM O=C(C=Cc1cn[nH]c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403046 609271408 /nfs/dbraw/zinc/27/14/08/609271408.db2.gz IQKVUBSHNOTVIN-RJRFIUFISA-N -1 3 284.254 1.625 20 30 CDEDHM CC(C)(C#N)COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824058884 609357033 /nfs/dbraw/zinc/35/70/33/609357033.db2.gz HDHMSHMBLMTUHN-UHFFFAOYSA-N -1 3 299.334 1.892 20 30 CDEDHM CC(C)(C#N)COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824058884 609357034 /nfs/dbraw/zinc/35/70/34/609357034.db2.gz HDHMSHMBLMTUHN-UHFFFAOYSA-N -1 3 299.334 1.892 20 30 CDEDHM C[C@@H](C#N)CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824034176 609384098 /nfs/dbraw/zinc/38/40/98/609384098.db2.gz HTNYQPQAYKTRFR-VIFPVBQESA-N -1 3 279.307 1.986 20 30 CDEDHM C[C@@H](C#N)CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824034176 609384100 /nfs/dbraw/zinc/38/41/00/609384100.db2.gz HTNYQPQAYKTRFR-VIFPVBQESA-N -1 3 279.307 1.986 20 30 CDEDHM Cc1c(Cl)cnc(N[C@H](C)CC#N)c1-c1nnn[n-]1 ZINC000826239141 609545346 /nfs/dbraw/zinc/54/53/46/609545346.db2.gz YTZRMUMLHFNAGV-ZCFIWIBFSA-N -1 3 277.719 1.938 20 30 CDEDHM Cc1c(Cl)cnc(N[C@H](C)CC#N)c1-c1nn[n-]n1 ZINC000826239141 609545348 /nfs/dbraw/zinc/54/53/48/609545348.db2.gz YTZRMUMLHFNAGV-ZCFIWIBFSA-N -1 3 277.719 1.938 20 30 CDEDHM C=CCCOCC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888117382 620746426 /nfs/dbraw/zinc/74/64/26/620746426.db2.gz IGHXKVFRSFAKJF-UHFFFAOYSA-N -1 3 281.312 1.506 20 30 CDEDHM C=CCCOCC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888117382 620746427 /nfs/dbraw/zinc/74/64/27/620746427.db2.gz IGHXKVFRSFAKJF-UHFFFAOYSA-N -1 3 281.312 1.506 20 30 CDEDHM CCCCCCCNCc1cn(CC(=O)[O-])nn1 ZINC000902061224 618551565 /nfs/dbraw/zinc/55/15/65/618551565.db2.gz NLJIPPJFRAFWHX-UHFFFAOYSA-N -1 3 254.334 1.423 20 30 CDEDHM C=CCCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)[O-] ZINC000910916512 618597209 /nfs/dbraw/zinc/59/72/09/618597209.db2.gz WYKJQGTVPAIIOW-NWDGAFQWSA-N -1 3 270.373 1.498 20 30 CDEDHM CC(C)Cn1nccc1CN[C@H]1CCCN([O-])C1=O ZINC000895157688 619373385 /nfs/dbraw/zinc/37/33/85/619373385.db2.gz DPUYGIFTDBPLDR-LBPRGKRZSA-N -1 3 266.345 1.009 20 30 CDEDHM O=C1[C@@H](NCc2ccn(-c3ccccc3)n2)CCCN1[O-] ZINC000895161106 619379748 /nfs/dbraw/zinc/37/97/48/619379748.db2.gz DWIZRMNKUHGVCH-AWEZNQCLSA-N -1 3 286.335 1.342 20 30 CDEDHM CCOc1ccc(CN[C@H]2CCCN([O-])C2=O)cc1F ZINC000895161027 619379818 /nfs/dbraw/zinc/37/98/18/619379818.db2.gz QIDYNLGNNYQFSJ-LBPRGKRZSA-N -1 3 282.315 1.694 20 30 CDEDHM O=C1[C@@H](NCc2cccc(Cl)c2F)CCCN1[O-] ZINC000895164028 619389881 /nfs/dbraw/zinc/38/98/81/619389881.db2.gz AICQIASUEPYZKR-JTQLQIEISA-N -1 3 272.707 1.949 20 30 CDEDHM Cc1nc(C)c(CN[C@@H]2CCCN([O-])C2=O)s1 ZINC000895165943 619395373 /nfs/dbraw/zinc/39/53/73/619395373.db2.gz NZYBIHVBXFVGNG-SECBINFHSA-N -1 3 255.343 1.230 20 30 CDEDHM Cc1ncc(CO)c(/C=N\CCc2cccnc2C)c1[O-] ZINC000899232608 622106657 /nfs/dbraw/zinc/10/66/57/622106657.db2.gz QQDGAYVJNSOOBJ-MFOYZWKCSA-N -1 3 285.347 1.953 20 30 CDEDHM C#CCSCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000900088050 622689429 /nfs/dbraw/zinc/68/94/29/622689429.db2.gz ZOGYFKLQIWULDA-UHFFFAOYSA-N -1 3 298.389 1.363 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H]1COc2ccccc2O1 ZINC000904207941 626212754 /nfs/dbraw/zinc/21/27/54/626212754.db2.gz JBNMCIZXTFTQPP-LBPRGKRZSA-N -1 3 251.282 1.844 20 30 CDEDHM Cc1c(C(=O)N([O-])Cc2ccccc2Cl)nnn1C ZINC000904189050 626214822 /nfs/dbraw/zinc/21/48/22/626214822.db2.gz YDJDOBRRNJYVGH-UHFFFAOYSA-N -1 3 280.715 1.809 20 30 CDEDHM N#CCCS(=O)(=O)Cc1nc(-c2cccs2)n[n-]1 ZINC000905267215 626715341 /nfs/dbraw/zinc/71/53/41/626715341.db2.gz LTYHVSYNCQDWAK-UHFFFAOYSA-N -1 3 282.350 1.362 20 30 CDEDHM C=CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)[O-] ZINC000909712922 628637338 /nfs/dbraw/zinc/63/73/38/628637338.db2.gz OFYAQNBZHFWWBX-GHMZBOCLSA-N -1 3 256.346 1.108 20 30 CDEDHM C#CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000914666321 631538778 /nfs/dbraw/zinc/53/87/78/631538778.db2.gz GNCPIRSWSPQXFK-UHFFFAOYSA-N -1 3 297.307 1.056 20 30 CDEDHM O=C1Nc2cc(O)ccc2C1=N[N-]c1cncc(Cl)n1 ZINC000915959748 631874607 /nfs/dbraw/zinc/87/46/07/631874607.db2.gz WFORCBRWIBGLTC-UHFFFAOYSA-N -1 3 289.682 1.604 20 30 CDEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2ccnnc2)cc1 ZINC000706545461 1158654157 /nfs/dbraw/zinc/65/41/57/1158654157.db2.gz WWIMGXZFDLEEPB-UHFFFAOYSA-N -1 3 274.305 1.290 20 30 CDEDHM COC[C@H](C)NN=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001605052793 1163434160 /nfs/dbraw/zinc/43/41/60/1163434160.db2.gz PESBMABURXMTSS-JTQLQIEISA-N -1 3 274.328 1.134 20 30 CDEDHM COC[C@H](C)NN=Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001605052793 1163434165 /nfs/dbraw/zinc/43/41/65/1163434165.db2.gz PESBMABURXMTSS-JTQLQIEISA-N -1 3 274.328 1.134 20 30 CDEDHM Cc1cc(C(=O)N(CCC#N)C(C)C)ncc1-c1nnn[n-]1 ZINC001605594545 1163619124 /nfs/dbraw/zinc/61/91/24/1163619124.db2.gz WDMFNHGFOXHZNK-UHFFFAOYSA-N -1 3 299.338 1.334 20 30 CDEDHM Cc1cc(C(=O)N(CCC#N)C(C)C)ncc1-c1nn[n-]n1 ZINC001605594545 1163619131 /nfs/dbraw/zinc/61/91/31/1163619131.db2.gz WDMFNHGFOXHZNK-UHFFFAOYSA-N -1 3 299.338 1.334 20 30 CDEDHM Cc1nn(C)cc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC001606113527 1163775946 /nfs/dbraw/zinc/77/59/46/1163775946.db2.gz LYJKKFUUBIAZRP-VOTSOKGWSA-N 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QCUAMNGHVONDMT-UHFFFAOYSA-N -1 3 261.310 1.071 20 30 CDEDHM C#CCCCNC(=O)c1cscc1-c1nn[n-]n1 ZINC001609020543 1164728756 /nfs/dbraw/zinc/72/87/56/1164728756.db2.gz QCUAMNGHVONDMT-UHFFFAOYSA-N -1 3 261.310 1.071 20 30 CDEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N1CC[C@](F)(C#N)C1 ZINC001609140142 1164788771 /nfs/dbraw/zinc/78/87/71/1164788771.db2.gz FZQMHUVAPCXFGN-YGRLFVJLSA-N -1 3 286.314 1.865 20 30 CDEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N1CC[C@](F)(C#N)C1 ZINC001609140142 1164788779 /nfs/dbraw/zinc/78/87/79/1164788779.db2.gz FZQMHUVAPCXFGN-YGRLFVJLSA-N -1 3 286.314 1.865 20 30 CDEDHM CC[C@@H](C#N)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001609181862 1164823521 /nfs/dbraw/zinc/82/35/21/1164823521.db2.gz GIHJFCUHSUGGON-ZETCQYMHSA-N -1 3 286.324 1.110 20 30 CDEDHM CC[C@@H](C#N)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001609181862 1164823526 /nfs/dbraw/zinc/82/35/26/1164823526.db2.gz GIHJFCUHSUGGON-ZETCQYMHSA-N -1 3 286.324 1.110 20 30 CDEDHM CCN(CC#N)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001609221035 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Cc1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)co1 ZINC001609447870 1164953830 /nfs/dbraw/zinc/95/38/30/1164953830.db2.gz FNJJPPFALJLCBP-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001609487438 1164972096 /nfs/dbraw/zinc/97/20/96/1164972096.db2.gz QISSAKSXMQHNLB-AEJSXWLSSA-N -1 3 251.282 1.972 20 30 CDEDHM N#Cc1ncc(OCc2cc(F)ccc2-c2nnn[n-]2)cn1 ZINC001609500921 1164978520 /nfs/dbraw/zinc/97/85/20/1164978520.db2.gz KGDKSWYOIXBQHQ-UHFFFAOYSA-N -1 3 297.253 1.246 20 30 CDEDHM N#Cc1ncc(OCc2cc(F)ccc2-c2nn[n-]n2)cn1 ZINC001609500921 1164978526 /nfs/dbraw/zinc/97/85/26/1164978526.db2.gz KGDKSWYOIXBQHQ-UHFFFAOYSA-N -1 3 297.253 1.246 20 30 CDEDHM N#CC1(C(=O)[O-])CCN(Cc2cccc3c[nH]nc32)CC1 ZINC001610617700 1165380227 /nfs/dbraw/zinc/38/02/27/1165380227.db2.gz KMQKNWVEUZMQDE-UHFFFAOYSA-N -1 3 284.319 1.753 20 30 CDEDHM Nc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC001580453188 1172440047 /nfs/dbraw/zinc/44/00/47/1172440047.db2.gz SIUAWMSWHYIGMH-UHFFFAOYSA-N 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CNNQGDNIQFDXLE-ZDUSSCGKSA-N -1 3 283.335 1.327 20 30 CDEDHM C#C[C@@H](CC)OC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588327286 1173026740 /nfs/dbraw/zinc/02/67/40/1173026740.db2.gz GHRZMIOXCUCLHG-JTQLQIEISA-N -1 3 271.280 1.139 20 30 CDEDHM C#C[C@@H](CC)OC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588327286 1173026749 /nfs/dbraw/zinc/02/67/49/1173026749.db2.gz GHRZMIOXCUCLHG-JTQLQIEISA-N -1 3 271.280 1.139 20 30 CDEDHM C#C[C@H](CC)OC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588327287 1173027663 /nfs/dbraw/zinc/02/76/63/1173027663.db2.gz GHRZMIOXCUCLHG-SNVBAGLBSA-N -1 3 271.280 1.139 20 30 CDEDHM C#C[C@H](CC)OC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588327287 1173027657 /nfs/dbraw/zinc/02/76/57/1173027657.db2.gz GHRZMIOXCUCLHG-SNVBAGLBSA-N -1 3 271.280 1.139 20 30 CDEDHM C#C[C@H](C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588326935 1173028371 /nfs/dbraw/zinc/02/83/71/1173028371.db2.gz YIOYNTJCIVCIIO-QROTZFDESA-N -1 3 267.292 1.018 20 30 CDEDHM C#C[C@H](C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588326935 1173028376 /nfs/dbraw/zinc/02/83/76/1173028376.db2.gz YIOYNTJCIVCIIO-QROTZFDESA-N -1 3 267.292 1.018 20 30 CDEDHM C#CCCCNc1c(-c2nnn[n-]2)cnc2ccc(C)cc21 ZINC001588345622 1173043657 /nfs/dbraw/zinc/04/36/57/1173043657.db2.gz NAAIPESLQYLRSK-UHFFFAOYSA-N -1 3 292.346 1.971 20 30 CDEDHM C#CCCCNc1c(-c2nn[n-]n2)cnc2ccc(C)cc21 ZINC001588345622 1173043659 /nfs/dbraw/zinc/04/36/59/1173043659.db2.gz NAAIPESLQYLRSK-UHFFFAOYSA-N -1 3 292.346 1.971 20 30 CDEDHM C=C[C@H](C)ONC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c21 ZINC001588519278 1173072713 /nfs/dbraw/zinc/07/27/13/1173072713.db2.gz WSJPMHOZWYTLDF-QMMMGPOBSA-N -1 3 298.306 1.584 20 30 CDEDHM C=C[C@H](C)ONC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c21 ZINC001588519278 1173072718 /nfs/dbraw/zinc/07/27/18/1173072718.db2.gz WSJPMHOZWYTLDF-QMMMGPOBSA-N -1 3 298.306 1.584 20 30 CDEDHM C=CCN(Cc1nc(-c2nnn[n-]2)cs1)C(C)C ZINC001588653276 1173094526 /nfs/dbraw/zinc/09/45/26/1173094526.db2.gz ASYYKRCMYBDBKY-UHFFFAOYSA-N -1 3 264.358 1.720 20 30 CDEDHM C=CCOC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588665902 1173096276 /nfs/dbraw/zinc/09/62/76/1173096276.db2.gz UBCACEZDAVDIPW-UHFFFAOYSA-N -1 3 273.296 1.276 20 30 CDEDHM C=CCOC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588665902 1173096279 /nfs/dbraw/zinc/09/62/79/1173096279.db2.gz UBCACEZDAVDIPW-UHFFFAOYSA-N -1 3 273.296 1.276 20 30 CDEDHM C=CCNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cn1 ZINC001588660307 1173097662 /nfs/dbraw/zinc/09/76/62/1173097662.db2.gz YYVOHYDZKSDOGJ-MRVPVSSYSA-N -1 3 290.352 1.045 20 30 CDEDHM C=CCNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cn1 ZINC001588660307 1173097670 /nfs/dbraw/zinc/09/76/70/1173097670.db2.gz YYVOHYDZKSDOGJ-MRVPVSSYSA-N -1 3 290.352 1.045 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588726272 1173098998 /nfs/dbraw/zinc/09/89/98/1173098998.db2.gz XNBFQEGQZYMCEX-NEPJUHHUSA-N -1 3 286.291 1.363 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588726272 1173099001 /nfs/dbraw/zinc/09/90/01/1173099001.db2.gz XNBFQEGQZYMCEX-NEPJUHHUSA-N -1 3 286.291 1.363 20 30 CDEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc[nH]n1 ZINC001588780561 1173103876 /nfs/dbraw/zinc/10/38/76/1173103876.db2.gz FGKJWUAFTXRBDX-UHFFFAOYSA-N -1 3 268.284 1.426 20 30 CDEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc[nH]n1 ZINC001588780561 1173103888 /nfs/dbraw/zinc/10/38/88/1173103888.db2.gz FGKJWUAFTXRBDX-UHFFFAOYSA-N -1 3 268.284 1.426 20 30 CDEDHM C[C@@H](C#N)CN(Cc1ccncc1-c1nnn[n-]1)C1CC1 ZINC001588934194 1173114639 /nfs/dbraw/zinc/11/46/39/1173114639.db2.gz FXHLMCZJPMGZOE-JTQLQIEISA-N -1 3 283.339 1.386 20 30 CDEDHM C[C@@H](C#N)CN(Cc1ccncc1-c1nn[n-]n1)C1CC1 ZINC001588934194 1173114641 /nfs/dbraw/zinc/11/46/41/1173114641.db2.gz FXHLMCZJPMGZOE-JTQLQIEISA-N -1 3 283.339 1.386 20 30 CDEDHM C[C@H](C#N)C(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588928614 1173115033 /nfs/dbraw/zinc/11/50/33/1173115033.db2.gz QLDPCDXECKXYAS-SNVBAGLBSA-N -1 3 298.350 1.464 20 30 CDEDHM CC(C)(C)c1nc(Cn2cnc(C#N)c2-c2nnn[n-]2)co1 ZINC001589243832 1173130091 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CDEDHM C=CCCCOC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735412527 575460861 /nfs/dbraw/zinc/46/08/61/575460861.db2.gz FGTWOXADBUAQRG-UHFFFAOYSA-N -1 3 258.281 1.990 20 30 CDEDHM C=CCCCOC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735412527 575460862 /nfs/dbraw/zinc/46/08/62/575460862.db2.gz FGTWOXADBUAQRG-UHFFFAOYSA-N -1 3 258.281 1.990 20 30 CDEDHM C=C(Cl)CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735402345 575464552 /nfs/dbraw/zinc/46/45/52/575464552.db2.gz RPGFRZOKJBXZFB-UHFFFAOYSA-N -1 3 294.771 1.906 20 30 CDEDHM C=C(Cl)CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735402565 575464613 /nfs/dbraw/zinc/46/46/13/575464613.db2.gz XGHNUILICCGHQS-UHFFFAOYSA-N -1 3 296.693 1.880 20 30 CDEDHM C=C(Cl)CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735402565 575464616 /nfs/dbraw/zinc/46/46/16/575464616.db2.gz XGHNUILICCGHQS-UHFFFAOYSA-N -1 3 296.693 1.880 20 30 CDEDHM C=CCCOC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735416017 575470393 /nfs/dbraw/zinc/47/03/93/575470393.db2.gz BNMOVOUWXLSFRH-UHFFFAOYSA-N -1 3 258.281 1.529 20 30 CDEDHM C=CCCOC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735416017 575470396 /nfs/dbraw/zinc/47/03/96/575470396.db2.gz BNMOVOUWXLSFRH-UHFFFAOYSA-N -1 3 258.281 1.529 20 30 CDEDHM O=C1N=NCN1N=Cc1cc([O-])ccc1Br ZINC000770615546 575473657 /nfs/dbraw/zinc/47/36/57/575473657.db2.gz OZZUBWWKYDQQKL-UHFFFAOYSA-N -1 3 283.085 1.334 20 30 CDEDHM CCO[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736617366 575702005 /nfs/dbraw/zinc/70/20/05/575702005.db2.gz RKRKGVPCJTWYDN-MRVPVSSYSA-N -1 3 286.295 1.102 20 30 CDEDHM CCO[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736617366 575702007 /nfs/dbraw/zinc/70/20/07/575702007.db2.gz RKRKGVPCJTWYDN-MRVPVSSYSA-N -1 3 286.295 1.102 20 30 CDEDHM COCCOCC(C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000737007274 575791535 /nfs/dbraw/zinc/79/15/35/575791535.db2.gz YNMGPCVBRCPSNN-UHFFFAOYSA-N -1 3 290.327 1.318 20 30 CDEDHM COCCOCC(C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000737007274 575791536 /nfs/dbraw/zinc/79/15/36/575791536.db2.gz YNMGPCVBRCPSNN-UHFFFAOYSA-N -1 3 290.327 1.318 20 30 CDEDHM CC(C#N)C(=O)NCc1cccc(Br)c1[O-] ZINC000765770382 576054851 /nfs/dbraw/zinc/05/48/51/576054851.db2.gz PQDOIQWXIZCRIS-SSDOTTSWSA-N -1 3 283.125 1.931 20 30 CDEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cncs1 ZINC000767789150 576229562 /nfs/dbraw/zinc/22/95/62/576229562.db2.gz VENQQYABZCCDGM-UHFFFAOYSA-N -1 3 295.389 1.639 20 30 CDEDHM C[C@H](C#N)COC(=O)c1cccc([N-]S(C)(=O)=O)c1 ZINC000759461065 576391642 /nfs/dbraw/zinc/39/16/42/576391642.db2.gz VDAZSBOMHCDGPE-SECBINFHSA-N -1 3 282.321 1.375 20 30 CDEDHM Cc1sc2ncnc([N-]N=C3CCN(C)C3=O)c2c1C ZINC000761749270 576591615 /nfs/dbraw/zinc/59/16/15/576591615.db2.gz JELPHVBXTNLLMX-UHFFFAOYSA-N -1 3 289.364 1.938 20 30 CDEDHM Cc1ncc(CO)c(/C=N\Cc2ccn3ccnc3c2)c1[O-] ZINC000761785894 576593582 /nfs/dbraw/zinc/59/35/82/576593582.db2.gz LOLBKOZMZZQZKI-MFOYZWKCSA-N -1 3 296.330 1.855 20 30 CDEDHM CCN(CC)c1ccc(C=NN2CC(=O)[N-]C2=O)c(O)c1 ZINC000744807158 576698767 /nfs/dbraw/zinc/69/87/67/576698767.db2.gz NLGBEEMTBFUBAY-UHFFFAOYSA-N -1 3 290.323 1.124 20 30 CDEDHM O=C1CN(N=Cc2ccc(-c3ccccc3F)o2)C(=O)[N-]1 ZINC000744810089 576699002 /nfs/dbraw/zinc/69/90/02/576699002.db2.gz JTUGBAMEWRCPHF-UHFFFAOYSA-N -1 3 287.250 1.971 20 30 CDEDHM Cc1csc(C=N[N-]c2[nH+]cnc3[n-]cnc32)n1 ZINC000755662253 576954337 /nfs/dbraw/zinc/95/43/37/576954337.db2.gz QLXSFYWDQQULOV-UHFFFAOYSA-N -1 3 259.298 1.564 20 30 CDEDHM COc1cccc([O-])c1/C=N/CCN1CCOC(C)(C)C1 ZINC000750949729 577018511 /nfs/dbraw/zinc/01/85/11/577018511.db2.gz IEAUPQUHQMNPQJ-GZTJUZNOSA-N -1 3 292.379 1.931 20 30 CDEDHM CCc1ccc(CCC=NN2CC(=O)[N-]C2=O)cc1 ZINC000758101194 577071809 /nfs/dbraw/zinc/07/18/09/577071809.db2.gz VYZLXHCNHPOGEB-UHFFFAOYSA-N -1 3 259.309 1.719 20 30 CDEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C#N)[nH]3)nc1-2 ZINC000752503137 577110176 /nfs/dbraw/zinc/11/01/76/577110176.db2.gz HPVGGKKDADFFHB-SNVBAGLBSA-N -1 3 290.286 1.956 20 30 CDEDHM COc1cccc(OCCn2ccc(C=N[O-])nc2=O)c1 ZINC000752780830 577126210 /nfs/dbraw/zinc/12/62/10/577126210.db2.gz DOBWMJCKQWFRSG-UHFFFAOYSA-N -1 3 289.291 1.139 20 30 CDEDHM C=CCOCCCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000819758640 599629069 /nfs/dbraw/zinc/62/90/69/599629069.db2.gz CPDOFFMOWXBYLQ-UHFFFAOYSA-N -1 3 293.352 1.850 20 30 CDEDHM C=CCOCCCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000819758640 599629070 /nfs/dbraw/zinc/62/90/70/599629070.db2.gz CPDOFFMOWXBYLQ-UHFFFAOYSA-N -1 3 293.352 1.850 20 30 CDEDHM Cc1cc(=NN=Cc2ccc(-c3nnn[n-]3)o2)nc[nH]1 ZINC000822209410 599340369 /nfs/dbraw/zinc/34/03/69/599340369.db2.gz HSHFQCMFMWIYIL-UHFFFAOYSA-N -1 3 270.256 1.004 20 30 CDEDHM C#CCNC(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000819701430 599342057 /nfs/dbraw/zinc/34/20/57/599342057.db2.gz HEQUBRVGCLSXGT-VIFPVBQESA-N -1 3 287.348 1.097 20 30 CDEDHM C#CCNC(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000819701430 599342059 /nfs/dbraw/zinc/34/20/59/599342059.db2.gz HEQUBRVGCLSXGT-VIFPVBQESA-N -1 3 287.348 1.097 20 30 CDEDHM N#CCC[C@H](C#N)CNCc1cc(-c2nn[n-]n2)ccc1F ZINC000822806442 599385130 /nfs/dbraw/zinc/38/51/30/599385130.db2.gz MUJUCYQLMWSKCB-SNVBAGLBSA-N -1 3 299.313 1.539 20 30 CDEDHM C=CCOCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819750231 599507802 /nfs/dbraw/zinc/50/78/02/599507802.db2.gz ANFXFYXBMVSCEL-JTQLQIEISA-N -1 3 287.323 1.247 20 30 CDEDHM C=CCOCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819750231 599507804 /nfs/dbraw/zinc/50/78/04/599507804.db2.gz ANFXFYXBMVSCEL-JTQLQIEISA-N -1 3 287.323 1.247 20 30 CDEDHM C=CCOCC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000823925671 607403383 /nfs/dbraw/zinc/40/33/83/607403383.db2.gz NTEBYAXZQLEFCF-UHFFFAOYSA-N -1 3 288.307 1.421 20 30 CDEDHM C=CCOCC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000823925671 607403384 /nfs/dbraw/zinc/40/33/84/607403384.db2.gz NTEBYAXZQLEFCF-UHFFFAOYSA-N -1 3 288.307 1.421 20 30 CDEDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000826055208 601655731 /nfs/dbraw/zinc/65/57/31/601655731.db2.gz WWCCZUZXIVUTNK-FZMZJTMJSA-N -1 3 289.335 1.068 20 30 CDEDHM C#CCC1(NC(=O)c2cscc2-c2nnn[n-]2)CCC1 ZINC001602699482 1175363869 /nfs/dbraw/zinc/36/38/69/1175363869.db2.gz HFLZEVHGKXYFLK-UHFFFAOYSA-N -1 3 287.348 1.604 20 30 CDEDHM C#CCC1(NC(=O)c2cscc2-c2nn[n-]n2)CCC1 ZINC001602699482 1175363871 /nfs/dbraw/zinc/36/38/71/1175363871.db2.gz HFLZEVHGKXYFLK-UHFFFAOYSA-N -1 3 287.348 1.604 20 30 CDEDHM C#CCCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823841390 607705612 /nfs/dbraw/zinc/70/56/12/607705612.db2.gz MIHLEAZSFGNVQM-UHFFFAOYSA-N -1 3 283.335 1.708 20 30 CDEDHM C#CCCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823841390 607705613 /nfs/dbraw/zinc/70/56/13/607705613.db2.gz MIHLEAZSFGNVQM-UHFFFAOYSA-N -1 3 283.335 1.708 20 30 CDEDHM C=C(C)CN1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001602762439 1175392976 /nfs/dbraw/zinc/39/29/76/1175392976.db2.gz PRYSNDYAEMXXIB-LBPRGKRZSA-N -1 3 298.383 1.959 20 30 CDEDHM C=C(Cl)CNC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001602770823 1175394467 /nfs/dbraw/zinc/39/44/67/1175394467.db2.gz WOGHWWIJTLHEGQ-UHFFFAOYSA-N -1 3 296.693 1.880 20 30 CDEDHM C=C(Cl)CNC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001602770823 1175394469 /nfs/dbraw/zinc/39/44/69/1175394469.db2.gz WOGHWWIJTLHEGQ-UHFFFAOYSA-N -1 3 296.693 1.880 20 30 CDEDHM C[C@@H](C#N)CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000819855870 606240105 /nfs/dbraw/zinc/24/01/05/606240105.db2.gz GBTBJEQDYGBPTH-QMMMGPOBSA-N -1 3 269.312 1.322 20 30 CDEDHM C[C@@H](C#N)CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000819855870 606240106 /nfs/dbraw/zinc/24/01/06/606240106.db2.gz GBTBJEQDYGBPTH-QMMMGPOBSA-N -1 3 269.312 1.322 20 30 CDEDHM N#C[C@H]1CCC[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC000822805729 606242323 /nfs/dbraw/zinc/24/23/23/606242323.db2.gz BJDALAXNASQNPK-SCZZXKLOSA-N -1 3 255.285 1.366 20 30 CDEDHM N#C[C@H]1CCC[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC000822805729 606242324 /nfs/dbraw/zinc/24/23/24/606242324.db2.gz BJDALAXNASQNPK-SCZZXKLOSA-N -1 3 255.285 1.366 20 30 CDEDHM C=CCCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819739767 606276634 /nfs/dbraw/zinc/27/66/34/606276634.db2.gz GUARIJHFADGWAL-UHFFFAOYSA-N -1 3 260.301 1.233 20 30 CDEDHM C=CCCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819739767 606276636 /nfs/dbraw/zinc/27/66/36/606276636.db2.gz GUARIJHFADGWAL-UHFFFAOYSA-N -1 3 260.301 1.233 20 30 CDEDHM C#CCN(CC)[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000819697778 606433452 /nfs/dbraw/zinc/43/34/52/606433452.db2.gz KQXOQTXQTVVOLZ-CYBMUJFWSA-N -1 3 299.334 1.036 20 30 CDEDHM C#CCN(CC)[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000819697778 606433453 /nfs/dbraw/zinc/43/34/53/606433453.db2.gz KQXOQTXQTVVOLZ-CYBMUJFWSA-N -1 3 299.334 1.036 20 30 CDEDHM C#CCCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819692289 606462339 /nfs/dbraw/zinc/46/23/39/606462339.db2.gz ABGMLQIDMIJZAF-UHFFFAOYSA-N -1 3 262.294 1.498 20 30 CDEDHM C#CCCCOC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819692289 606462340 /nfs/dbraw/zinc/46/23/40/606462340.db2.gz ABGMLQIDMIJZAF-UHFFFAOYSA-N -1 3 262.294 1.498 20 30 CDEDHM C=CCCS(=O)(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000819740270 606746605 /nfs/dbraw/zinc/74/66/05/606746605.db2.gz WWECMBSNEQCZGE-UHFFFAOYSA-N -1 3 293.352 1.209 20 30 CDEDHM C=CCCS(=O)(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000819740270 606746606 /nfs/dbraw/zinc/74/66/06/606746606.db2.gz WWECMBSNEQCZGE-UHFFFAOYSA-N -1 3 293.352 1.209 20 30 CDEDHM C=C[C@@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819729991 606814579 /nfs/dbraw/zinc/81/45/79/606814579.db2.gz OUTCJAGVIYANJC-ZCFIWIBFSA-N -1 3 279.250 1.449 20 30 CDEDHM C=C[C@@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819729991 606814580 /nfs/dbraw/zinc/81/45/80/606814580.db2.gz OUTCJAGVIYANJC-ZCFIWIBFSA-N -1 3 279.250 1.449 20 30 CDEDHM C[C@@H](CC#N)N(C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000820219179 607087065 /nfs/dbraw/zinc/08/70/65/607087065.db2.gz CZQQRSOCALQAQQ-VIFPVBQESA-N -1 3 274.303 1.740 20 30 CDEDHM C[C@@H](CC#N)N(C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820219179 607087066 /nfs/dbraw/zinc/08/70/66/607087066.db2.gz CZQQRSOCALQAQQ-VIFPVBQESA-N -1 3 274.303 1.740 20 30 CDEDHM CSCCC=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826227987 607889563 /nfs/dbraw/zinc/88/95/63/607889563.db2.gz APESIBOIVTUMSI-UHFFFAOYSA-N -1 3 276.369 1.695 20 30 CDEDHM CSCCC=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826227987 607889564 /nfs/dbraw/zinc/88/95/64/607889564.db2.gz APESIBOIVTUMSI-UHFFFAOYSA-N -1 3 276.369 1.695 20 30 CDEDHM COc1ccc(CON=C2CCC2)cc1-c1nnn[n-]1 ZINC000826206960 607972650 /nfs/dbraw/zinc/97/26/50/607972650.db2.gz SWEVALKJTNKJFG-UHFFFAOYSA-N -1 3 273.296 1.932 20 30 CDEDHM COc1ccc(CON=C2CCC2)cc1-c1nn[n-]n1 ZINC000826206960 607972651 /nfs/dbraw/zinc/97/26/51/607972651.db2.gz SWEVALKJTNKJFG-UHFFFAOYSA-N -1 3 273.296 1.932 20 30 CDEDHM C=CCC[C@@H](CO)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001602833179 1175421293 /nfs/dbraw/zinc/42/12/93/1175421293.db2.gz HKLUWBLZOMFAJA-JTQLQIEISA-N -1 3 277.303 1.745 20 30 CDEDHM C=CCC[C@@H](CO)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001602833179 1175421299 /nfs/dbraw/zinc/42/12/99/1175421299.db2.gz HKLUWBLZOMFAJA-JTQLQIEISA-N -1 3 277.303 1.745 20 30 CDEDHM C[C@@]1(C#N)CCCN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824779829 608125779 /nfs/dbraw/zinc/12/57/79/608125779.db2.gz XCRMBEMOJLBOPG-HNNXBMFYSA-N -1 3 282.351 1.992 20 30 CDEDHM C#CCCCCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823837657 608292051 /nfs/dbraw/zinc/29/20/51/608292051.db2.gz FHDLGWDYCWIVMV-UHFFFAOYSA-N -1 3 283.335 1.677 20 30 CDEDHM C#CCCCCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823837657 608292052 /nfs/dbraw/zinc/29/20/52/608292052.db2.gz FHDLGWDYCWIVMV-UHFFFAOYSA-N -1 3 283.335 1.677 20 30 CDEDHM Cn1nccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826366730 609270493 /nfs/dbraw/zinc/27/04/93/609270493.db2.gz VKUQJYHZVXAERJ-HWKANZROSA-N -1 3 298.281 1.635 20 30 CDEDHM Cn1nccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826366730 609270494 /nfs/dbraw/zinc/27/04/94/609270494.db2.gz VKUQJYHZVXAERJ-HWKANZROSA-N -1 3 298.281 1.635 20 30 CDEDHM C[C@@H](C#N)CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824034994 609411453 /nfs/dbraw/zinc/41/14/53/609411453.db2.gz RGSFTLRIGVFHPH-VHSXEESVSA-N -1 3 299.338 1.387 20 30 CDEDHM C[C@@H](C#N)CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824034994 609411455 /nfs/dbraw/zinc/41/14/55/609411455.db2.gz RGSFTLRIGVFHPH-VHSXEESVSA-N -1 3 299.338 1.387 20 30 CDEDHM C=C(C)CN(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823872737 609436672 /nfs/dbraw/zinc/43/66/72/609436672.db2.gz DBZBMTXRBXXRTM-UHFFFAOYSA-N -1 3 286.339 1.584 20 30 CDEDHM C=C(C)CN(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823872737 609436674 /nfs/dbraw/zinc/43/66/74/609436674.db2.gz DBZBMTXRBXXRTM-UHFFFAOYSA-N -1 3 286.339 1.584 20 30 CDEDHM Cc1ccc(C#N)cc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826281164 609450956 /nfs/dbraw/zinc/45/09/56/609450956.db2.gz HDGPECOZENOJRH-UHFFFAOYSA-N -1 3 293.290 1.627 20 30 CDEDHM Cc1ccc(C#N)cc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826281164 609450958 /nfs/dbraw/zinc/45/09/58/609450958.db2.gz HDGPECOZENOJRH-UHFFFAOYSA-N -1 3 293.290 1.627 20 30 CDEDHM C[C@@]1(C#N)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000824776514 609599786 /nfs/dbraw/zinc/59/97/86/609599786.db2.gz BXRNKFZSXXZUKH-ZDUSSCGKSA-N -1 3 269.312 1.392 20 30 CDEDHM C=C[C@@H](CC)CC(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000932999776 617435117 /nfs/dbraw/zinc/43/51/17/617435117.db2.gz SYZNHHOQMPYKRF-QMMMGPOBSA-N -1 3 266.301 1.061 20 30 CDEDHM Cc1nc(N2CCC(C#N)(c3ccccn3)CC2)cc(=O)[n-]1 ZINC000893696017 617860850 /nfs/dbraw/zinc/86/08/50/617860850.db2.gz FQTFTBWRCJXMPP-UHFFFAOYSA-N -1 3 295.346 1.947 20 30 CDEDHM C#CCCCC[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC000866955615 620773347 /nfs/dbraw/zinc/77/33/47/620773347.db2.gz WYRRABDTVVITBI-UHFFFAOYSA-N -1 3 280.415 1.132 20 30 CDEDHM C=CCOC[C@H](NCc1c(C)cccc1OC)C(=O)[O-] ZINC000901812082 618267243 /nfs/dbraw/zinc/26/72/43/618267243.db2.gz ZRBDDJCRFPCXDM-ZDUSSCGKSA-N -1 3 279.336 1.749 20 30 CDEDHM N#CCNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826381979 618590823 /nfs/dbraw/zinc/59/08/23/618590823.db2.gz IJLVVJFRCMMHOZ-UHFFFAOYSA-N -1 3 297.105 1.427 20 30 CDEDHM N#CCNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826381979 618590832 /nfs/dbraw/zinc/59/08/32/618590832.db2.gz IJLVVJFRCMMHOZ-UHFFFAOYSA-N -1 3 297.105 1.427 20 30 CDEDHM N#CCCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826382317 618591138 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C=CCCC[C@H](N)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000900463077 623092485 /nfs/dbraw/zinc/09/24/85/623092485.db2.gz RRXUVAIEZGRQLN-SRVKXCTJSA-N -1 3 268.357 1.382 20 30 CDEDHM CCCCN([O-])C(=O)CN1C(=O)c2ccccc2C1=O ZINC000904207975 626212971 /nfs/dbraw/zinc/21/29/71/626212971.db2.gz KEMKWMYJOBMFEH-UHFFFAOYSA-N -1 3 276.292 1.301 20 30 CDEDHM CCCCN([O-])C(=O)CN1Cc2ccccc2C1=O ZINC000904210024 626214030 /nfs/dbraw/zinc/21/40/30/626214030.db2.gz DMWSDFPYBQETQX-UHFFFAOYSA-N -1 3 262.309 1.660 20 30 CDEDHM NC(=O)[C@H]1CC[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904192775 626216645 /nfs/dbraw/zinc/21/66/45/626216645.db2.gz BTSFYZOEASABQE-VHSXEESVSA-N -1 3 282.727 1.569 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000904211975 626225807 /nfs/dbraw/zinc/22/58/07/626225807.db2.gz ILSYSNXPRYAVLH-MRVPVSSYSA-N -1 3 282.262 1.558 20 30 CDEDHM CCCCN([O-])C(=O)c1cccn2c(=O)[nH]nc12 ZINC000904212857 626226424 /nfs/dbraw/zinc/22/64/24/626226424.db2.gz VIBFTKICLBJENJ-UHFFFAOYSA-N -1 3 250.258 1.066 20 30 CDEDHM CCCCN([O-])C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000904214766 626227646 /nfs/dbraw/zinc/22/76/46/626227646.db2.gz MQGGXTICTANFQY-UHFFFAOYSA-N -1 3 277.367 1.783 20 30 CDEDHM C#CCNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905282746 626736936 /nfs/dbraw/zinc/73/69/36/626736936.db2.gz GTKQDXUQRJZTGQ-UHFFFAOYSA-N -1 3 281.337 1.853 20 30 CDEDHM C=CCN1CCC(NC(=O)N(CCC)[C@@H](C)C(=O)[O-])CC1 ZINC000908945496 628427194 /nfs/dbraw/zinc/42/71/94/628427194.db2.gz HLTBDJNUVXEWOA-LBPRGKRZSA-N -1 3 297.399 1.532 20 30 CDEDHM C=CC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000912982380 630319950 /nfs/dbraw/zinc/31/99/50/630319950.db2.gz IXYHOZGQJQWWSZ-JTQLQIEISA-N -1 3 284.323 1.300 20 30 CDEDHM C=CC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000912982380 630319954 /nfs/dbraw/zinc/31/99/54/630319954.db2.gz IXYHOZGQJQWWSZ-JTQLQIEISA-N -1 3 284.323 1.300 20 30 CDEDHM C#C[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C1CC1 ZINC000152351591 631001319 /nfs/dbraw/zinc/00/13/19/631001319.db2.gz 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Cc1ccc(-c2nnn[n-]2)cc1C(=O)NC1=NO[C@@H](C)C1 ZINC001605790379 1163672061 /nfs/dbraw/zinc/67/20/61/1163672061.db2.gz CLRHLWUZNVAAOK-QMMMGPOBSA-N -1 3 286.295 1.027 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)NC1=NO[C@@H](C)C1 ZINC001605790379 1163672064 /nfs/dbraw/zinc/67/20/64/1163672064.db2.gz CLRHLWUZNVAAOK-QMMMGPOBSA-N -1 3 286.295 1.027 20 30 CDEDHM N#C[C@]1(F)CCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001606344242 1163868584 /nfs/dbraw/zinc/86/85/84/1163868584.db2.gz HKKSFLZEOIOJOJ-GFCCVEGCSA-N -1 3 276.250 1.448 20 30 CDEDHM N#C[C@]1(F)CCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001606344242 1163868589 /nfs/dbraw/zinc/86/85/89/1163868589.db2.gz HKKSFLZEOIOJOJ-GFCCVEGCSA-N -1 3 276.250 1.448 20 30 CDEDHM N#CCCN(CCC#N)Cc1cccc(F)c1-c1nnn[n-]1 ZINC001606349030 1163873602 /nfs/dbraw/zinc/87/36/02/1163873602.db2.gz AMXWPODXLWDYJE-UHFFFAOYSA-N -1 3 299.313 1.635 20 30 CDEDHM N#CCCN(CCC#N)Cc1cccc(F)c1-c1nn[n-]n1 ZINC001606349030 1163873612 /nfs/dbraw/zinc/87/36/12/1163873612.db2.gz AMXWPODXLWDYJE-UHFFFAOYSA-N 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MNQKWCGWPBVBAP-UHFFFAOYSA-N -1 3 294.278 1.481 20 30 CDEDHM Cc1nc(C#N)c(N=NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001609446683 1164954005 /nfs/dbraw/zinc/95/40/05/1164954005.db2.gz MNQKWCGWPBVBAP-UHFFFAOYSA-N -1 3 294.278 1.481 20 30 CDEDHM N#Cc1nc(N)n(CC23CCC(CC2)C3)c1-c1nnn[n-]1 ZINC001609500838 1164978995 /nfs/dbraw/zinc/97/89/95/1164978995.db2.gz CJGBIWDSLPIXSJ-UHFFFAOYSA-N -1 3 284.327 1.097 20 30 CDEDHM N#Cc1nc(N)n(CC23CCC(CC2)C3)c1-c1nn[n-]n1 ZINC001609500838 1164979000 /nfs/dbraw/zinc/97/90/00/1164979000.db2.gz CJGBIWDSLPIXSJ-UHFFFAOYSA-N -1 3 284.327 1.097 20 30 CDEDHM O=C(C=Cc1cocn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609519615 1164980741 /nfs/dbraw/zinc/98/07/41/1164980741.db2.gz DEDFKHWANOXCEW-DUXPYHPUSA-N -1 3 285.238 1.890 20 30 CDEDHM O=C(C=Cc1cocn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609519615 1164980743 /nfs/dbraw/zinc/98/07/43/1164980743.db2.gz DEDFKHWANOXCEW-DUXPYHPUSA-N -1 3 285.238 1.890 20 30 CDEDHM CCCN(CC(=O)[O-])Cc1cccc(C(=O)OC)c1C#N ZINC001609977076 1165171466 /nfs/dbraw/zinc/17/14/66/1165171466.db2.gz AHSXMJAILDIXJJ-UHFFFAOYSA-N -1 3 290.319 1.641 20 30 CDEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCSCC2)c1 ZINC001610630500 1165386408 /nfs/dbraw/zinc/38/64/08/1165386408.db2.gz RKZKZBZVUTXRPC-LBPRGKRZSA-N -1 3 262.334 1.733 20 30 CDEDHM N#Cc1cnnc(Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001581882731 1172626262 /nfs/dbraw/zinc/62/62/62/1172626262.db2.gz DOYQGZARODOTKQ-UHFFFAOYSA-N -1 3 283.226 1.460 20 30 CDEDHM N#Cc1cnnc(Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001581882731 1172626266 /nfs/dbraw/zinc/62/62/66/1172626266.db2.gz DOYQGZARODOTKQ-UHFFFAOYSA-N -1 3 283.226 1.460 20 30 CDEDHM N#Cc1ccsc1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001581876700 1172626517 /nfs/dbraw/zinc/62/65/17/1172626517.db2.gz CLLRMOFHUIQEIK-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM N#Cc1ccsc1NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001581876700 1172626519 /nfs/dbraw/zinc/62/65/19/1172626519.db2.gz CLLRMOFHUIQEIK-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM C#C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)C(C)C 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CDEDHM C#CCCCC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001588340819 1173043937 /nfs/dbraw/zinc/04/39/37/1173043937.db2.gz HMVDBUHYGNKDCU-UHFFFAOYSA-N -1 3 275.337 1.348 20 30 CDEDHM C#CCO[C@H](C)C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001588360131 1173053424 /nfs/dbraw/zinc/05/34/24/1173053424.db2.gz JFWCREIJFSWERK-SNVBAGLBSA-N -1 3 285.307 1.152 20 30 CDEDHM C#CCO[C@H](C)C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001588360131 1173053431 /nfs/dbraw/zinc/05/34/31/1173053431.db2.gz JFWCREIJFSWERK-SNVBAGLBSA-N -1 3 285.307 1.152 20 30 CDEDHM C=C[C@@H](C(=O)n1ncc(-c2nnn[n-]2)c1N)c1ccccc1 ZINC001588468025 1173068929 /nfs/dbraw/zinc/06/89/29/1173068929.db2.gz OZJOTUXLPLDGIB-SNVBAGLBSA-N -1 3 295.306 1.255 20 30 CDEDHM C=CC[C@H](CC)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588540790 1173078151 /nfs/dbraw/zinc/07/81/51/1173078151.db2.gz FWCVSJIWONWSGE-ZDUSSCGKSA-N -1 3 285.351 1.880 20 30 CDEDHM C=CCCCN(C)c1nc(-c2nnn[n-]2)ccc1C ZINC001588601761 1173087283 /nfs/dbraw/zinc/08/72/83/1173087283.db2.gz UBFQGQIUVYNCAQ-UHFFFAOYSA-N -1 3 258.329 1.973 20 30 CDEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001588780840 1173105801 /nfs/dbraw/zinc/10/58/01/1173105801.db2.gz QAZYEFQNPXELOR-UHFFFAOYSA-N -1 3 282.311 1.436 20 30 CDEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001588780840 1173105805 /nfs/dbraw/zinc/10/58/05/1173105805.db2.gz QAZYEFQNPXELOR-UHFFFAOYSA-N -1 3 282.311 1.436 20 30 CDEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C(C)(C)C#N ZINC001588893176 1173111042 /nfs/dbraw/zinc/11/10/42/1173111042.db2.gz PFRNFKRPBDCMAG-UHFFFAOYSA-N -1 3 298.306 1.558 20 30 CDEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C(C)(C)C#N ZINC001588893176 1173111047 /nfs/dbraw/zinc/11/10/47/1173111047.db2.gz PFRNFKRPBDCMAG-UHFFFAOYSA-N -1 3 298.306 1.558 20 30 CDEDHM CC(C)(C#N)CCCCn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001589033244 1173120168 /nfs/dbraw/zinc/12/01/68/1173120168.db2.gz BDENWMZDVHVOHO-UHFFFAOYSA-N -1 3 299.342 1.237 20 30 CDEDHM CC(C)(C#N)CCCCn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001589033244 1173120173 /nfs/dbraw/zinc/12/01/73/1173120173.db2.gz BDENWMZDVHVOHO-UHFFFAOYSA-N -1 3 299.342 1.237 20 30 CDEDHM CC(C)(C#N)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001589033940 1173120786 /nfs/dbraw/zinc/12/07/86/1173120786.db2.gz MUYMGDREOPGEOQ-UHFFFAOYSA-N -1 3 292.249 1.633 20 30 CDEDHM C[C@@H](CC#N)NN=Cc1csc(-c2nnn[n-]2)c1 ZINC001589787617 1173178378 /nfs/dbraw/zinc/17/83/78/1173178378.db2.gz MKEYQQXGZFBKAK-ZETCQYMHSA-N -1 3 261.314 1.154 20 30 CDEDHM C[C@H](CC#N)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001589788457 1173182601 /nfs/dbraw/zinc/18/26/01/1173182601.db2.gz WMCHQFVKKNHPCV-MRVPVSSYSA-N -1 3 288.286 1.172 20 30 CDEDHM C[C@H](CC#N)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001589788457 1173182605 /nfs/dbraw/zinc/18/26/05/1173182605.db2.gz WMCHQFVKKNHPCV-MRVPVSSYSA-N -1 3 288.286 1.172 20 30 CDEDHM C[C@H](CO)CCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589885490 1173195434 /nfs/dbraw/zinc/19/54/34/1173195434.db2.gz AFVJOUBIFGADFW-JTQLQIEISA-N -1 3 286.339 1.559 20 30 CDEDHM C[C@H](CO)CCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589885490 1173195436 /nfs/dbraw/zinc/19/54/36/1173195436.db2.gz AFVJOUBIFGADFW-JTQLQIEISA-N -1 3 286.339 1.559 20 30 CDEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@](C)(C#N)C1 ZINC001590048906 1173238666 /nfs/dbraw/zinc/23/86/66/1173238666.db2.gz LTWWIXSTUSOLMA-IAQYHMDHSA-N -1 3 298.350 1.542 20 30 CDEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@](C)(C#N)C1 ZINC001590048906 1173238668 /nfs/dbraw/zinc/23/86/68/1173238668.db2.gz LTWWIXSTUSOLMA-IAQYHMDHSA-N -1 3 298.350 1.542 20 30 CDEDHM C[C@H]1COCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001590326476 1173357560 /nfs/dbraw/zinc/35/75/60/1173357560.db2.gz VLCAVIXKSDQECX-QMMMGPOBSA-N -1 3 258.285 1.301 20 30 CDEDHM C[C@H]1COCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001590326476 1173357567 /nfs/dbraw/zinc/35/75/67/1173357567.db2.gz VLCAVIXKSDQECX-QMMMGPOBSA-N -1 3 258.285 1.301 20 30 CDEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCC[C@@H]1C#N ZINC001590992132 1173558205 /nfs/dbraw/zinc/55/82/05/1173558205.db2.gz GBWQEOBBPAZJKM-OLZOCXBDSA-N -1 3 296.334 1.631 20 30 CDEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCC[C@@H]1C#N ZINC001590992132 1173558211 /nfs/dbraw/zinc/55/82/11/1173558211.db2.gz GBWQEOBBPAZJKM-OLZOCXBDSA-N -1 3 296.334 1.631 20 30 CDEDHM COc1ccc(C=NOCC2CC2)cc1-c1nnn[n-]1 ZINC001591582341 1173670785 /nfs/dbraw/zinc/67/07/85/1173670785.db2.gz LOINLEKBBULFFY-UHFFFAOYSA-N -1 3 273.296 1.636 20 30 CDEDHM COc1ccc(C=NOCC2CC2)cc1-c1nn[n-]n1 ZINC001591582341 1173670789 /nfs/dbraw/zinc/67/07/89/1173670789.db2.gz LOINLEKBBULFFY-UHFFFAOYSA-N -1 3 273.296 1.636 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCC#N ZINC001592103090 1173799809 /nfs/dbraw/zinc/79/98/09/1173799809.db2.gz AEIJZSISHNHTKP-UHFFFAOYSA-N -1 3 270.296 1.808 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCC#N ZINC001592103090 1173799815 /nfs/dbraw/zinc/79/98/15/1173799815.db2.gz AEIJZSISHNHTKP-UHFFFAOYSA-N -1 3 270.296 1.808 20 30 CDEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(NC[C@@H](C)C#N)c2c1 ZINC001592208602 1173833572 /nfs/dbraw/zinc/83/35/72/1173833572.db2.gz GLEJNAGYPPVURV-JTQLQIEISA-N -1 3 293.334 1.717 20 30 CDEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(NC[C@@H](C)C#N)c2c1 ZINC001592208602 1173833575 /nfs/dbraw/zinc/83/35/75/1173833575.db2.gz GLEJNAGYPPVURV-JTQLQIEISA-N -1 3 293.334 1.717 20 30 CDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC1(C#N)CCC1 ZINC001592562322 1173922603 /nfs/dbraw/zinc/92/26/03/1173922603.db2.gz SZBVVYBGHFPMBG-UHFFFAOYSA-N -1 3 286.295 1.056 20 30 CDEDHM N#CC1(CSc2ccncc2-c2nnn[n-]2)CC1 ZINC001592670951 1173960925 /nfs/dbraw/zinc/96/09/25/1173960925.db2.gz WCJDZQNWPGEVML-UHFFFAOYSA-N -1 3 258.310 1.658 20 30 CDEDHM N#CC1(CSc2ccncc2-c2nn[n-]n2)CC1 ZINC001592670951 1173960928 /nfs/dbraw/zinc/96/09/28/1173960928.db2.gz WCJDZQNWPGEVML-UHFFFAOYSA-N -1 3 258.310 1.658 20 30 CDEDHM N#C[C@@H]1CCCN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001592672968 1173963977 /nfs/dbraw/zinc/96/39/77/1173963977.db2.gz SCAPDHPQLPALDG-JTQLQIEISA-N -1 3 286.314 1.741 20 30 CDEDHM N#C[C@@H]1CCCN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001592672968 1173963980 /nfs/dbraw/zinc/96/39/80/1173963980.db2.gz SCAPDHPQLPALDG-JTQLQIEISA-N -1 3 286.314 1.741 20 30 CDEDHM N#CCC1(CNc2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC001592675556 1173966206 /nfs/dbraw/zinc/96/62/06/1173966206.db2.gz QTTWQAQYJFZZEJ-UHFFFAOYSA-N -1 3 294.322 1.620 20 30 CDEDHM N#CCC1(CNc2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC001592675556 1173966211 /nfs/dbraw/zinc/96/62/11/1173966211.db2.gz QTTWQAQYJFZZEJ-UHFFFAOYSA-N -1 3 294.322 1.620 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCC1(CO)CC1 ZINC001592699920 1173975612 /nfs/dbraw/zinc/97/56/12/1173975612.db2.gz SBKJCXWVEGQGAU-UHFFFAOYSA-N -1 3 284.323 1.313 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCC1(CO)CC1 ZINC001592699920 1173975623 /nfs/dbraw/zinc/97/56/23/1173975623.db2.gz SBKJCXWVEGQGAU-UHFFFAOYSA-N -1 3 284.323 1.313 20 30 CDEDHM N#C[C@@H]1CC[C@@H](N[C@@H]2CCCn3nc(C(=O)[O-])cc32)C1 ZINC001601059043 1174721439 /nfs/dbraw/zinc/72/14/39/1174721439.db2.gz BABMKGLKYNJSEC-GMTAPVOTSA-N -1 3 274.324 1.698 20 30 CDEDHM C#CCCCNC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602711197 1175369518 /nfs/dbraw/zinc/36/95/18/1175369518.db2.gz MZVFCQNZBGKXQK-UHFFFAOYSA-N -1 3 298.350 1.388 20 30 CDEDHM C#CCCCNC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602711197 1175369529 /nfs/dbraw/zinc/36/95/29/1175369529.db2.gz MZVFCQNZBGKXQK-UHFFFAOYSA-N -1 3 298.350 1.388 20 30 CDEDHM C#CCCCCC(=O)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001602710049 1175369979 /nfs/dbraw/zinc/36/99/79/1175369979.db2.gz NZDAWQKRJUSUFD-UHFFFAOYSA-N -1 3 284.323 1.702 20 30 CDEDHM C#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001602710049 1175369983 /nfs/dbraw/zinc/36/99/83/1175369983.db2.gz NZDAWQKRJUSUFD-UHFFFAOYSA-N -1 3 284.323 1.702 20 30 CDEDHM C(=NOCCOc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001602746257 1175384867 /nfs/dbraw/zinc/38/48/67/1175384867.db2.gz KXMKCZFRTROURC-UHFFFAOYSA-N -1 3 273.296 1.658 20 30 CDEDHM C=C(Cl)C[C@@H](N)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001602788940 1175402098 /nfs/dbraw/zinc/40/20/98/1175402098.db2.gz RDUOUSFSUNFETF-SNVBAGLBSA-N -1 3 288.775 1.750 20 30 CDEDHM C=CC[C@@H]1CCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001602824454 1175418541 /nfs/dbraw/zinc/41/85/41/1175418541.db2.gz QKJHGISMAXKUBX-CYBMUJFWSA-N -1 3 298.350 1.456 20 30 CDEDHM C=CCCCOC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001602839612 1175427390 /nfs/dbraw/zinc/42/73/90/1175427390.db2.gz CYXKODWFKCZJKI-UHFFFAOYSA-N -1 3 261.285 1.328 20 30 CDEDHM C=CCCCOC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001602839612 1175427396 /nfs/dbraw/zinc/42/73/96/1175427396.db2.gz CYXKODWFKCZJKI-UHFFFAOYSA-N -1 3 261.285 1.328 20 30 CDEDHM C=CCCN(C)C(=O)c1cscc1-c1nnn[n-]1 ZINC001602839934 1175428555 /nfs/dbraw/zinc/42/85/55/1175428555.db2.gz MNTUXZUJXCYPBL-UHFFFAOYSA-N -1 3 263.326 1.576 20 30 CDEDHM C=CCCN(C)C(=O)c1cscc1-c1nn[n-]n1 ZINC001602839934 1175428558 /nfs/dbraw/zinc/42/85/58/1175428558.db2.gz MNTUXZUJXCYPBL-UHFFFAOYSA-N -1 3 263.326 1.576 20 30 CDEDHM C=CCO[C@@H]1CCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001602907005 1175449089 /nfs/dbraw/zinc/44/90/89/1175449089.db2.gz TVKUGRLJGQIXRU-CQSZACIVSA-N -1 3 291.347 1.927 20 30 CDEDHM C[C@@H](C#N)N(Cc1cncc(-c2nnn[n-]2)c1)C1CC1 ZINC001602989844 1175473585 /nfs/dbraw/zinc/47/35/85/1175473585.db2.gz UTULTXCAPCQNJD-VIFPVBQESA-N -1 3 269.312 1.138 20 30 CDEDHM C[C@@H](C#N)N(Cc1cncc(-c2nn[n-]n2)c1)C1CC1 ZINC001602989844 1175473589 /nfs/dbraw/zinc/47/35/89/1175473589.db2.gz UTULTXCAPCQNJD-VIFPVBQESA-N -1 3 269.312 1.138 20 30 CDEDHM C[C@H](CO)Sc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603565965 1175565813 /nfs/dbraw/zinc/56/58/13/1175565813.db2.gz DYXAGTVVPBYKOS-SSDOTTSWSA-N -1 3 261.310 1.211 20 30 CDEDHM C[C@H](CO)Sc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603565965 1175565820 /nfs/dbraw/zinc/56/58/20/1175565820.db2.gz DYXAGTVVPBYKOS-SSDOTTSWSA-N -1 3 261.310 1.211 20 30 CDEDHM C[C@]1(C#N)CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1 ZINC001603738486 1175612831 /nfs/dbraw/zinc/61/28/31/1175612831.db2.gz PRALMSLWSVNJFN-LBPRGKRZSA-N -1 3 290.352 1.043 20 30 CDEDHM C[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CO1 ZINC001603844179 1175651655 /nfs/dbraw/zinc/65/16/55/1175651655.db2.gz BIWBWKPXKZJSTQ-SCZZXKLOSA-N -1 3 298.306 1.102 20 30 CDEDHM C[C@@H]1C[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CO1 ZINC001603844179 1175651659 /nfs/dbraw/zinc/65/16/59/1175651659.db2.gz BIWBWKPXKZJSTQ-SCZZXKLOSA-N -1 3 298.306 1.102 20 30 CDEDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603956676 1175698319 /nfs/dbraw/zinc/69/83/19/1175698319.db2.gz XWYIOWPHYLKSQB-XHSYRHOGSA-N -1 3 298.350 1.962 20 30 CDEDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603956676 1175698322 /nfs/dbraw/zinc/69/83/22/1175698322.db2.gz XWYIOWPHYLKSQB-XHSYRHOGSA-N -1 3 298.350 1.962 20 30 CDEDHM CC[C@](C)(C#N)C(=O)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001603980784 1175704394 /nfs/dbraw/zinc/70/43/94/1175704394.db2.gz WSNOMJGGIFIZEC-CYBMUJFWSA-N -1 3 285.311 1.449 20 30 CDEDHM CC[C@](C)(C#N)C(=O)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001603980784 1175704399 /nfs/dbraw/zinc/70/43/99/1175704399.db2.gz WSNOMJGGIFIZEC-CYBMUJFWSA-N -1 3 285.311 1.449 20 30 CDEDHM CC[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC001604111158 1175769479 /nfs/dbraw/zinc/76/94/79/1175769479.db2.gz AVQCVJQZSHOYSY-ZYHUDNBSSA-N -1 3 298.350 1.742 20 30 CDEDHM CC[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001604111158 1175769483 /nfs/dbraw/zinc/76/94/83/1175769483.db2.gz AVQCVJQZSHOYSY-ZYHUDNBSSA-N -1 3 298.350 1.742 20 30 CDEDHM C(=NNC[C@@H]1CCSC1)c1ccc(-c2nnn[n-]2)s1 ZINC001609022182 1164728308 /nfs/dbraw/zinc/72/83/08/1164728308.db2.gz ASKNRYCCZQJOJH-QMMMGPOBSA-N -1 3 294.409 1.605 20 30 CDEDHM O=C(Nc1ccc(F)cc1)N[C@H]1CCCN([O-])C1=O ZINC000866107968 1164736270 /nfs/dbraw/zinc/73/62/70/1164736270.db2.gz KZYOPSWGPIFTNL-JTQLQIEISA-N -1 3 267.260 1.327 20 30 CDEDHM C#CC[C@H](NCc1cccc(OC)c1OC)C(=O)[O-] ZINC001609089118 1164764450 /nfs/dbraw/zinc/76/44/50/1164764450.db2.gz FCMCQVRVZARWJQ-NSHDSACASA-N -1 3 263.293 1.270 20 30 CDEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@H]1C ZINC001609175493 1164815706 /nfs/dbraw/zinc/81/57/06/1164815706.db2.gz 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C[C@H](C#N)CN(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819845817 606536170 /nfs/dbraw/zinc/53/61/70/606536170.db2.gz XFXNLSKERBQREF-SSDOTTSWSA-N -1 3 276.325 1.160 20 30 CDEDHM C=C(Cl)C[C@@H](N)C(=O)N(CCC(=O)[O-])C(C)C ZINC001602789323 1175404001 /nfs/dbraw/zinc/40/40/01/1175404001.db2.gz YRYGRGPQDSBYHV-SECBINFHSA-N -1 3 262.737 1.168 20 30 CDEDHM C[C@@H](C#N)CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819845516 606832837 /nfs/dbraw/zinc/83/28/37/606832837.db2.gz WAECEAWBRNAOJR-UWVGGRQHSA-N -1 3 299.338 1.387 20 30 CDEDHM C[C@@H](C#N)CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819845516 606832840 /nfs/dbraw/zinc/83/28/40/606832840.db2.gz WAECEAWBRNAOJR-UWVGGRQHSA-N -1 3 299.338 1.387 20 30 CDEDHM CC1CC(C#N)(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820642233 606865540 /nfs/dbraw/zinc/86/55/40/606865540.db2.gz GYJWUYVCDAPLRB-UHFFFAOYSA-N -1 3 296.334 1.423 20 30 CDEDHM CC1CC(C#N)(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820642233 606865542 /nfs/dbraw/zinc/86/55/42/606865542.db2.gz GYJWUYVCDAPLRB-UHFFFAOYSA-N -1 3 296.334 1.423 20 30 CDEDHM C=CC[C@H](C(=O)OC)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001602836493 1175426178 /nfs/dbraw/zinc/42/61/78/1175426178.db2.gz VDEQHSKQXRTCGS-ZWNOBZJWSA-N -1 3 255.314 1.291 20 30 CDEDHM C[C@H](C#N)CN(C)c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824034961 608367232 /nfs/dbraw/zinc/36/72/32/608367232.db2.gz QSHIJJVUOORJRT-SNVBAGLBSA-N -1 3 297.366 1.736 20 30 CDEDHM C[C@H](C#N)CN(C)c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824034961 608367233 /nfs/dbraw/zinc/36/72/33/608367233.db2.gz QSHIJJVUOORJRT-SNVBAGLBSA-N -1 3 297.366 1.736 20 30 CDEDHM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2ccoc2)n1 ZINC000826350407 608537428 /nfs/dbraw/zinc/53/74/28/608537428.db2.gz URZCLKJIJMXLBS-UHFFFAOYSA-N -1 3 289.686 1.954 20 30 CDEDHM C=CC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000823888602 609210804 /nfs/dbraw/zinc/21/08/04/609210804.db2.gz RODQQJNVSVVTDB-UHFFFAOYSA-N -1 3 272.312 1.233 20 30 CDEDHM C=CC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000823888602 609210805 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CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccnc1 ZINC000920386872 632767256 /nfs/dbraw/zinc/76/72/56/632767256.db2.gz HQKQXRZVJLGONF-UHFFFAOYSA-N -1 3 289.360 1.925 20 30 CDEDHM CCCCN([O-])C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001604182727 1163117117 /nfs/dbraw/zinc/11/71/17/1163117117.db2.gz QBFCBAXXSNFDFU-UHFFFAOYSA-N -1 3 291.311 1.263 20 30 CDEDHM CC[C@H]1[C@@H](CO)CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001605151245 1163469923 /nfs/dbraw/zinc/46/99/23/1163469923.db2.gz LPRKZWUCSVRHBI-DOMZBBRYSA-N -1 3 288.347 1.849 20 30 CDEDHM N#Cc1cccc(CC(=O)[N-]OC/C=C/Cl)c1 ZINC000812400763 1163619423 /nfs/dbraw/zinc/61/94/23/1163619423.db2.gz QXNKRGOXLWNYAW-GORDUTHDSA-N -1 3 250.685 1.901 20 30 CDEDHM C#CCO[N-]C(=O)/C(C)=C/c1ccc(OC)c(F)c1 ZINC000812783434 1163713710 /nfs/dbraw/zinc/71/37/10/1163713710.db2.gz PBENJBGLGSTLNV-CSKARUKUSA-N -1 3 263.268 1.919 20 30 CDEDHM N#CC1(CNc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001606343290 1163868875 /nfs/dbraw/zinc/86/88/75/1163868875.db2.gz LEWJLCYGCPKBGT-UHFFFAOYSA-N -1 3 287.302 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ZINC000774369651 575201299 /nfs/dbraw/zinc/20/12/99/575201299.db2.gz HLYGVYPWUYEJNI-UHFFFAOYSA-N -1 3 253.189 1.427 20 30 CDEDHM COC[C@@H](OC(=O)c1ccc(C#N)[n-]1)c1nccs1 ZINC000774684250 575227662 /nfs/dbraw/zinc/22/76/62/575227662.db2.gz WYVISUIPJJEMSP-SNVBAGLBSA-N -1 3 277.305 1.887 20 30 CDEDHM CCOc1ccc(/C=N\CCN2CCN(C)CC2)c([O-])c1 ZINC000769727290 575379112 /nfs/dbraw/zinc/37/91/12/575379112.db2.gz FBVQBDRQGQAKHF-LGMDPLHJSA-N -1 3 291.395 1.457 20 30 CDEDHM CC(=NNc1nc2c(cnn2C)c(=O)[nH]1)c1ccccc1[O-] ZINC000769818872 575389482 /nfs/dbraw/zinc/38/94/82/575389482.db2.gz XEKVCFMGRCSUST-UHFFFAOYSA-N -1 3 298.306 1.611 20 30 CDEDHM C=CCCOC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735413767 575462052 /nfs/dbraw/zinc/46/20/52/575462052.db2.gz ZPAXXFQBFZOHKD-UHFFFAOYSA-N -1 3 274.280 1.365 20 30 CDEDHM C=CCCOC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735413767 575462053 /nfs/dbraw/zinc/46/20/53/575462053.db2.gz ZPAXXFQBFZOHKD-UHFFFAOYSA-N -1 3 274.280 1.365 20 30 CDEDHM C(=N[N-]c1[nH+]cnc2[n-]cnc21)c1cccc2nccn21 ZINC000771098595 575548590 /nfs/dbraw/zinc/54/85/90/575548590.db2.gz RPHNNDPNUGXPLA-UHFFFAOYSA-N -1 3 278.279 1.447 20 30 CDEDHM C[C@@H](NC(=O)C1(C#N)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736098767 575571738 /nfs/dbraw/zinc/57/17/38/575571738.db2.gz HGIRLWMFZYHWST-SNVBAGLBSA-N -1 3 296.334 1.738 20 30 CDEDHM C[C@@H](NC(=O)C1(C#N)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736098767 575571739 /nfs/dbraw/zinc/57/17/39/575571739.db2.gz HGIRLWMFZYHWST-SNVBAGLBSA-N -1 3 296.334 1.738 20 30 CDEDHM CC=CC=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736303990 575616814 /nfs/dbraw/zinc/61/68/14/575616814.db2.gz MTHKUVXTTIMFBL-IAROGAJJSA-N -1 3 280.291 1.809 20 30 CDEDHM CC=CC=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736303990 575616817 /nfs/dbraw/zinc/61/68/17/575616817.db2.gz MTHKUVXTTIMFBL-IAROGAJJSA-N -1 3 280.291 1.809 20 30 CDEDHM CSc1ccc(Cn2ccc(C=N[O-])nc2=O)cc1 ZINC000736307313 575617761 /nfs/dbraw/zinc/61/77/61/575617761.db2.gz UKLAKAXYECZUJL-UHFFFAOYSA-N -1 3 275.333 1.822 20 30 CDEDHM CCCCNN=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736460346 575668032 /nfs/dbraw/zinc/66/80/32/575668032.db2.gz GIQHJKYDBCJNBI-UHFFFAOYSA-N -1 3 274.328 1.599 20 30 CDEDHM CCCCNN=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736460346 575668035 /nfs/dbraw/zinc/66/80/35/575668035.db2.gz GIQHJKYDBCJNBI-UHFFFAOYSA-N -1 3 274.328 1.599 20 30 CDEDHM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1)C(=O)[O-] ZINC000736571597 575693525 /nfs/dbraw/zinc/69/35/25/575693525.db2.gz LFYHFYWZSVTTPA-QWRGUYRKSA-N -1 3 289.335 1.538 20 30 CDEDHM N#CC1(C(=O)OCc2cc(=O)c([O-])co2)CCCCC1 ZINC000736801888 575752011 /nfs/dbraw/zinc/75/20/11/575752011.db2.gz XHSRZWDQPVIWIA-UHFFFAOYSA-N -1 3 277.276 1.863 20 30 CDEDHM CO[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736957477 575776544 /nfs/dbraw/zinc/77/65/44/575776544.db2.gz HQDYBQCXGUGPOH-QMMMGPOBSA-N -1 3 286.295 1.102 20 30 CDEDHM CO[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736957477 575776547 /nfs/dbraw/zinc/77/65/47/575776547.db2.gz HQDYBQCXGUGPOH-QMMMGPOBSA-N -1 3 286.295 1.102 20 30 CDEDHM CCC[C@@H](/N=C/c1ccc(O)c([O-])c1O)C(=O)OC ZINC000773154081 575786356 /nfs/dbraw/zinc/78/63/56/575786356.db2.gz WZIDKUUIUFOJGU-CULDGANSSA-N -1 3 267.281 1.564 20 30 CDEDHM Cc1cccnc1CC(=N[N-]S(C)(=O)=O)C(F)(F)F ZINC000764701894 575935717 /nfs/dbraw/zinc/93/57/17/575935717.db2.gz RLBYTTCKHHKAFF-UHFFFAOYSA-N -1 3 295.286 1.400 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000764702238 575935734 /nfs/dbraw/zinc/93/57/34/575935734.db2.gz USZIMPHPZDNEGM-UHFFFAOYSA-N -1 3 271.298 1.176 20 30 CDEDHM CC#CCCOC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000765502858 576031770 /nfs/dbraw/zinc/03/17/70/576031770.db2.gz OMOZDQGMFVXERA-UHFFFAOYSA-N -1 3 264.277 1.980 20 30 CDEDHM Cc1cccc2c1[C@H](C)CC2=N[N-]S(C)(=O)=O ZINC000766711175 576126539 /nfs/dbraw/zinc/12/65/39/576126539.db2.gz JMDMBANOTLUSSY-SECBINFHSA-N -1 3 252.339 1.756 20 30 CDEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1cccnc1 ZINC000759459408 576391605 /nfs/dbraw/zinc/39/16/05/576391605.db2.gz VZIRBAFMLQQDPS-ZYOFXKKJSA-N -1 3 280.287 1.420 20 30 CDEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1cccnc1 ZINC000759459408 576391606 /nfs/dbraw/zinc/39/16/06/576391606.db2.gz VZIRBAFMLQQDPS-ZYOFXKKJSA-N -1 3 280.287 1.420 20 30 CDEDHM N#Cc1ccccc1OCCN1CCC(C(=O)[O-])CC1 ZINC000740324212 576462621 /nfs/dbraw/zinc/46/26/21/576462621.db2.gz VQRJNHAGRRTKAZ-UHFFFAOYSA-N -1 3 274.320 1.734 20 30 CDEDHM O=C1CN(N=Cc2cnc(C3CCC3)s2)C(=O)[N-]1 ZINC000760240245 576468940 /nfs/dbraw/zinc/46/89/40/576468940.db2.gz WCOBYNDHRYBTAL-UHFFFAOYSA-N -1 3 264.310 1.296 20 30 CDEDHM COC(=O)c1ccc([O-])c(CN=Nc2ncc(F)cn2)c1 ZINC000760261736 576471239 /nfs/dbraw/zinc/47/12/39/576471239.db2.gz CIUJGKCWXPWHRC-UHFFFAOYSA-N -1 3 290.254 1.554 20 30 CDEDHM CC#CCCOC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000760294354 576473646 /nfs/dbraw/zinc/47/36/46/576473646.db2.gz IHYMDBIKSSEGJK-UHFFFAOYSA-N -1 3 299.323 1.767 20 30 CDEDHM COc1nccnc1N=NCc1ccc([O-])c(F)c1 ZINC000763411881 576735386 /nfs/dbraw/zinc/73/53/86/576735386.db2.gz LVSQFASQAZKLMT-UHFFFAOYSA-N -1 3 262.244 1.776 20 30 CDEDHM N#CCn1cc(NC(=O)c2c[n-]nc2-c2ccncc2)cn1 ZINC000746595217 576785611 /nfs/dbraw/zinc/78/56/11/576785611.db2.gz MICXHHHCBWPEJI-UHFFFAOYSA-N -1 3 293.290 1.444 20 30 CDEDHM N#CCn1cc(NC(=O)c2cn[n-]c2-c2ccncc2)cn1 ZINC000746595217 576785612 /nfs/dbraw/zinc/78/56/12/576785612.db2.gz MICXHHHCBWPEJI-UHFFFAOYSA-N -1 3 293.290 1.444 20 30 CDEDHM C=CCCCOC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000746911821 576851572 /nfs/dbraw/zinc/85/15/72/576851572.db2.gz OSVDFPKUORYWKC-UHFFFAOYSA-N -1 3 289.291 1.157 20 30 CDEDHM Cc1ncc(CO)c(/C=N\CCc2ccco2)c1[O-] ZINC000747712936 576882182 /nfs/dbraw/zinc/88/21/82/576882182.db2.gz LEGJQKAPFULYIA-NVNXTCNLSA-N -1 3 260.293 1.843 20 30 CDEDHM C=C(C)CN(CC)C(=O)[C@@H](C)n1ccc(C=N[O-])nc1=O ZINC000748776176 576924435 /nfs/dbraw/zinc/92/44/35/576924435.db2.gz AQPUKDNEKNBQDE-LLVKDONJSA-N -1 3 292.339 1.037 20 30 CDEDHM CC(C)CSCCCn1ccc(C=N[O-])nc1=O ZINC000752780981 577126223 /nfs/dbraw/zinc/12/62/23/577126223.db2.gz FMXINNRSANKIIP-UHFFFAOYSA-N -1 3 269.370 1.831 20 30 CDEDHM CC(=O)[N-]OCc1ccc(C#N)cc1OC(F)F ZINC000753119077 577147348 /nfs/dbraw/zinc/14/73/48/577147348.db2.gz YHSQUBSIPDQHGQ-UHFFFAOYSA-N -1 3 256.208 1.727 20 30 CDEDHM C=CCNC(=S)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819750668 599237749 /nfs/dbraw/zinc/23/77/49/599237749.db2.gz JHFKKQQNZFNUKN-SECBINFHSA-N -1 3 288.380 1.578 20 30 CDEDHM C=CCNC(=S)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819750668 599237751 /nfs/dbraw/zinc/23/77/51/599237751.db2.gz JHFKKQQNZFNUKN-SECBINFHSA-N -1 3 288.380 1.578 20 30 CDEDHM C=CCN(CC=C)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405374304 600291432 /nfs/dbraw/zinc/29/14/32/600291432.db2.gz RTFSNQVSYIUTCB-ZDUSSCGKSA-N -1 3 292.379 1.374 20 30 CDEDHM COC[C@](C)(CC(=O)[O-])NCc1ccc(C#N)cc1F ZINC000831579243 601134596 /nfs/dbraw/zinc/13/45/96/601134596.db2.gz YHHUMSWOLGHJKR-AWEZNQCLSA-N -1 3 280.299 1.667 20 30 CDEDHM C[C@H](C(=O)N(C)CCC#N)N1CCC(CCC(=O)[O-])CC1 ZINC000825971881 601841943 /nfs/dbraw/zinc/84/19/43/601841943.db2.gz HKHULIUULJKYIE-GFCCVEGCSA-N -1 3 295.383 1.324 20 30 CDEDHM C[C@@H](C#N)CN(C(=O)c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000824034212 607823728 /nfs/dbraw/zinc/82/37/28/607823728.db2.gz IAZOMALTEIYSRH-VIFPVBQESA-N -1 3 297.322 1.026 20 30 CDEDHM C[C@@H](C#N)CN(C(=O)c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000824034212 607823729 /nfs/dbraw/zinc/82/37/29/607823729.db2.gz IAZOMALTEIYSRH-VIFPVBQESA-N -1 3 297.322 1.026 20 30 CDEDHM C[C@H](CC#N)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820220699 606060609 /nfs/dbraw/zinc/06/06/09/606060609.db2.gz XFMQLKVRQQDNOM-MRVPVSSYSA-N -1 3 287.283 1.513 20 30 CDEDHM C[C@H](CC#N)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820220699 606060614 /nfs/dbraw/zinc/06/06/14/606060614.db2.gz XFMQLKVRQQDNOM-MRVPVSSYSA-N -1 3 287.283 1.513 20 30 CDEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822801921 606299909 /nfs/dbraw/zinc/29/99/09/606299909.db2.gz QZBZLNGEOSEUNS-NWDGAFQWSA-N -1 3 282.307 1.289 20 30 CDEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822801921 606299911 /nfs/dbraw/zinc/29/99/11/606299911.db2.gz QZBZLNGEOSEUNS-NWDGAFQWSA-N -1 3 282.307 1.289 20 30 CDEDHM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)C1(C#N)CCC1 ZINC000821573359 606555827 /nfs/dbraw/zinc/55/58/27/606555827.db2.gz NBPYMCPKDINUOT-UHFFFAOYSA-N -1 3 288.336 1.446 20 30 CDEDHM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)C1(C#N)CCC1 ZINC000821573359 606555828 /nfs/dbraw/zinc/55/58/28/606555828.db2.gz NBPYMCPKDINUOT-UHFFFAOYSA-N -1 3 288.336 1.446 20 30 CDEDHM C[C@H](CC#N)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820219385 606660232 /nfs/dbraw/zinc/66/02/32/606660232.db2.gz FYTQACLKJKDNMD-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM C[C@H](CC#N)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820219385 606660233 /nfs/dbraw/zinc/66/02/33/606660233.db2.gz FYTQACLKJKDNMD-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM CCN(CC#N)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821164298 606675038 /nfs/dbraw/zinc/67/50/38/606675038.db2.gz AXSAUKQKSPGLDE-UHFFFAOYSA-N -1 3 292.249 1.131 20 30 CDEDHM CCN(CC#N)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821164298 606675039 /nfs/dbraw/zinc/67/50/39/606675039.db2.gz AXSAUKQKSPGLDE-UHFFFAOYSA-N -1 3 292.249 1.131 20 30 CDEDHM C[C@@H](CC#N)N(C)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000820219062 607086689 /nfs/dbraw/zinc/08/66/89/607086689.db2.gz CCWNURQYEOUWJC-VIFPVBQESA-N -1 3 274.303 1.740 20 30 CDEDHM C[C@@H](CC#N)N(C)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000820219062 607086690 /nfs/dbraw/zinc/08/66/90/607086690.db2.gz CCWNURQYEOUWJC-VIFPVBQESA-N -1 3 274.303 1.740 20 30 CDEDHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000825013284 608160221 /nfs/dbraw/zinc/16/02/21/608160221.db2.gz OFPPEACAIDGXHM-KWQFWETISA-N -1 3 298.306 1.102 20 30 CDEDHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825013284 608160223 /nfs/dbraw/zinc/16/02/23/608160223.db2.gz OFPPEACAIDGXHM-KWQFWETISA-N -1 3 298.306 1.102 20 30 CDEDHM C=CCN(C(=O)c1sccc1-c1nnn[n-]1)C1CC1 ZINC000823904053 608277746 /nfs/dbraw/zinc/27/77/46/608277746.db2.gz TTWSBNDYNCBWMS-UHFFFAOYSA-N -1 3 275.337 1.719 20 30 CDEDHM C=CCN(C(=O)c1sccc1-c1nn[n-]n1)C1CC1 ZINC000823904053 608277748 /nfs/dbraw/zinc/27/77/48/608277748.db2.gz TTWSBNDYNCBWMS-UHFFFAOYSA-N -1 3 275.337 1.719 20 30 CDEDHM C=C(CC)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000823878282 608318316 /nfs/dbraw/zinc/31/83/16/608318316.db2.gz USZRJJHORXEVQQ-UHFFFAOYSA-N -1 3 259.269 1.385 20 30 CDEDHM C=C(CC)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000823878282 608318318 /nfs/dbraw/zinc/31/83/18/608318318.db2.gz USZRJJHORXEVQQ-UHFFFAOYSA-N -1 3 259.269 1.385 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@@H](C)C#N)n1 ZINC000826273785 608367533 /nfs/dbraw/zinc/36/75/33/608367533.db2.gz UFIZXWDPUSXANI-QMMMGPOBSA-N -1 3 257.301 1.166 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@@H](C)C#N)n1 ZINC000826273785 608367535 /nfs/dbraw/zinc/36/75/35/608367535.db2.gz UFIZXWDPUSXANI-QMMMGPOBSA-N -1 3 257.301 1.166 20 30 CDEDHM C=CC1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000823888084 608783187 /nfs/dbraw/zinc/78/31/87/608783187.db2.gz FNVOWHGHIFCOPC-UHFFFAOYSA-N -1 3 256.313 1.664 20 30 CDEDHM C=CC1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000823888084 608783191 /nfs/dbraw/zinc/78/31/91/608783191.db2.gz FNVOWHGHIFCOPC-UHFFFAOYSA-N -1 3 256.313 1.664 20 30 CDEDHM CC(N=Nc1ncccn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823963180 609276050 /nfs/dbraw/zinc/27/60/50/609276050.db2.gz XMYLROXIOBOGNG-UHFFFAOYSA-N -1 3 298.285 1.632 20 30 CDEDHM CC(N=Nc1ncccn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823963180 609276051 /nfs/dbraw/zinc/27/60/51/609276051.db2.gz XMYLROXIOBOGNG-UHFFFAOYSA-N -1 3 298.285 1.632 20 30 CDEDHM COC[C@H](C)C(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826148977 609306216 /nfs/dbraw/zinc/30/62/16/609306216.db2.gz VWWUTCOBMNYCEB-JTQLQIEISA-N -1 3 288.355 1.615 20 30 CDEDHM COC[C@H](C)C(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826148977 609306218 /nfs/dbraw/zinc/30/62/18/609306218.db2.gz VWWUTCOBMNYCEB-JTQLQIEISA-N -1 3 288.355 1.615 20 30 CDEDHM CC(C)(C#N)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000824059518 609389328 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CDEDHM CCCCN([O-])C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000904210279 626214491 /nfs/dbraw/zinc/21/44/91/626214491.db2.gz KDNKWMSBUPETJG-NSHDSACASA-N -1 3 289.339 1.919 20 30 CDEDHM Cc1nc(C(C)C)ncc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000908402711 628182891 /nfs/dbraw/zinc/18/28/91/628182891.db2.gz IBDVCKLJNAGGMO-LLVKDONJSA-N -1 3 292.339 1.018 20 30 CDEDHM C#CCN1CCC(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])CC1 ZINC000909875628 628722949 /nfs/dbraw/zinc/72/29/49/628722949.db2.gz ZLILIHFIYUWGQQ-CYBMUJFWSA-N -1 3 294.395 1.337 20 30 CDEDHM COc1cc(C=NOC[C@H]2CCOC2)c([N+](=O)[O-])cc1[O-] ZINC000788035149 631645938 /nfs/dbraw/zinc/64/59/38/631645938.db2.gz XZEYYDCTHPQKOU-VIFPVBQESA-N -1 3 296.279 1.696 20 30 CDEDHM CC(C)c1nn(C)c(Cl)c1C=NN1CC(=O)[N-]C1=O ZINC000915956726 631873088 /nfs/dbraw/zinc/87/30/88/631873088.db2.gz YZGFYWSOHLPXNX-UHFFFAOYSA-N -1 3 283.719 1.083 20 30 CDEDHM CN(CC#N)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736779947 633114455 /nfs/dbraw/zinc/11/44/55/633114455.db2.gz 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293.330 1.146 20 30 CDEDHM CC(=NNC1CC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001609061021 1164754619 /nfs/dbraw/zinc/75/46/19/1164754619.db2.gz WTKXNQNRWGRVPE-UHFFFAOYSA-N -1 3 276.731 1.996 20 30 CDEDHM CC(=NNC1CC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001609061021 1164754624 /nfs/dbraw/zinc/75/46/24/1164754624.db2.gz WTKXNQNRWGRVPE-UHFFFAOYSA-N -1 3 276.731 1.996 20 30 CDEDHM C[C@H](C#N)CN(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001609067474 1164755537 /nfs/dbraw/zinc/75/55/37/1164755537.db2.gz QIHVTRBLYHFLAO-SNVBAGLBSA-N -1 3 299.338 1.168 20 30 CDEDHM C[C@H](C#N)CN(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001609067474 1164755542 /nfs/dbraw/zinc/75/55/42/1164755542.db2.gz QIHVTRBLYHFLAO-SNVBAGLBSA-N -1 3 299.338 1.168 20 30 CDEDHM C[C@H]1CC[C@@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609163413 1164810131 /nfs/dbraw/zinc/81/01/31/1164810131.db2.gz ZIUQIKAKJVWTMH-KWQFWETISA-N -1 3 254.297 1.949 20 30 CDEDHM C[C@H]1CC[C@@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609163413 1164810135 /nfs/dbraw/zinc/81/01/35/1164810135.db2.gz ZIUQIKAKJVWTMH-KWQFWETISA-N -1 3 254.297 1.949 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001609187967 1164831124 /nfs/dbraw/zinc/83/11/24/1164831124.db2.gz VCKJWQAFPPXEEJ-JTQLQIEISA-N -1 3 284.323 1.597 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001609187967 1164831131 /nfs/dbraw/zinc/83/11/31/1164831131.db2.gz VCKJWQAFPPXEEJ-JTQLQIEISA-N -1 3 284.323 1.597 20 30 CDEDHM CN(CC(C)(C)C#N)c1nc2ccccn2c1-c1nnn[n-]1 ZINC001609271708 1164875262 /nfs/dbraw/zinc/87/52/62/1164875262.db2.gz PTIXQIYPAWAWJR-UHFFFAOYSA-N -1 3 296.338 1.500 20 30 CDEDHM CN(CC(C)(C)C#N)c1nc2ccccn2c1-c1nn[n-]n1 ZINC001609271708 1164875269 /nfs/dbraw/zinc/87/52/69/1164875269.db2.gz PTIXQIYPAWAWJR-UHFFFAOYSA-N -1 3 296.338 1.500 20 30 CDEDHM N#CC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001609495048 1164975401 /nfs/dbraw/zinc/97/54/01/1164975401.db2.gz UTFHUOJOFKHEMP-UHFFFAOYSA-N -1 3 299.294 1.515 20 30 CDEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)n[nH]1 ZINC000126344396 1165975818 /nfs/dbraw/zinc/97/58/18/1165975818.db2.gz MXQQWEKWINHOGT-JTQLQIEISA-N -1 3 283.291 1.328 20 30 CDEDHM COCc1ccccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878230401 1166161014 /nfs/dbraw/zinc/16/10/14/1166161014.db2.gz KPJWJSNTPZVUME-LBPRGKRZSA-N -1 3 293.323 1.335 20 30 CDEDHM C[C@H](NC1CCC(C)(C#N)CC1)c1nc(C(=O)[O-])n[nH]1 ZINC001573571657 1170696244 /nfs/dbraw/zinc/69/62/44/1170696244.db2.gz KUDVSJBYFYQNMR-BVDKZHGWSA-N -1 3 277.328 1.626 20 30 CDEDHM CN(Cc1ccns1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001579260710 1172127817 /nfs/dbraw/zinc/12/78/17/1172127817.db2.gz GDBVBWMGZUJAGM-UHFFFAOYSA-N -1 3 297.347 1.831 20 30 CDEDHM CN(Cc1ccns1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001579260710 1172127823 /nfs/dbraw/zinc/12/78/23/1172127823.db2.gz GDBVBWMGZUJAGM-UHFFFAOYSA-N -1 3 297.347 1.831 20 30 CDEDHM C#CCCCCNC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588345868 1173043073 /nfs/dbraw/zinc/04/30/73/1173043073.db2.gz OFPLLIIEQUYCJB-UHFFFAOYSA-N -1 3 275.337 1.462 20 30 CDEDHM C#CCN(C)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588349147 1173047513 /nfs/dbraw/zinc/04/75/13/1173047513.db2.gz DUDJUGFJDSPINU-UHFFFAOYSA-N -1 3 275.699 1.225 20 30 CDEDHM C#CCN(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588349147 1173047517 /nfs/dbraw/zinc/04/75/17/1173047517.db2.gz DUDJUGFJDSPINU-UHFFFAOYSA-N -1 3 275.699 1.225 20 30 CDEDHM C#CCN(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588350206 1173050023 /nfs/dbraw/zinc/05/00/23/1173050023.db2.gz IPIKAQAMIWWCHZ-UHFFFAOYSA-N -1 3 284.323 1.031 20 30 CDEDHM C#CCN(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588350206 1173050031 /nfs/dbraw/zinc/05/00/31/1173050031.db2.gz IPIKAQAMIWWCHZ-UHFFFAOYSA-N -1 3 284.323 1.031 20 30 CDEDHM C#CCNc1ncc(Br)cc1-c1nnn[n-]1 ZINC001588356985 1173054390 /nfs/dbraw/zinc/05/43/90/1173054390.db2.gz HOPYWMBPUPXHTG-UHFFFAOYSA-N -1 3 279.101 1.069 20 30 CDEDHM C#CCNc1ncc(Br)cc1-c1nn[n-]n1 ZINC001588356985 1173054397 /nfs/dbraw/zinc/05/43/97/1173054397.db2.gz HOPYWMBPUPXHTG-UHFFFAOYSA-N -1 3 279.101 1.069 20 30 CDEDHM C=C(COc1cc(F)cc(-c2nnn[n-]2)c1)C(=O)OCC ZINC001588449584 1173062853 /nfs/dbraw/zinc/06/28/53/1173062853.db2.gz TZCZHKKXAJQUGU-UHFFFAOYSA-N -1 3 292.270 1.504 20 30 CDEDHM C=C(COc1cc(F)cc(-c2nn[n-]n2)c1)C(=O)OCC ZINC001588449584 1173062858 /nfs/dbraw/zinc/06/28/58/1173062858.db2.gz TZCZHKKXAJQUGU-UHFFFAOYSA-N -1 3 292.270 1.504 20 30 CDEDHM C=C[C@@H](CC)CC(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001588525548 1173072520 /nfs/dbraw/zinc/07/25/20/1173072520.db2.gz IFBSQFMSISULEQ-VIFPVBQESA-N -1 3 272.312 1.803 20 30 CDEDHM C=C[C@@H](CC)CC(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001588525548 1173072525 /nfs/dbraw/zinc/07/25/25/1173072525.db2.gz IFBSQFMSISULEQ-VIFPVBQESA-N -1 3 272.312 1.803 20 30 CDEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588526152 1173073941 /nfs/dbraw/zinc/07/39/41/1173073941.db2.gz QSUIYFUYJVRXJL-VIFPVBQESA-N -1 3 272.312 1.803 20 30 CDEDHM C=C[C@H](CC)CC(=O)OCc1cc(-c2nnn[n-]2)ccn1 ZINC001588526519 1173074631 /nfs/dbraw/zinc/07/46/31/1173074631.db2.gz XTZMOFCDJOBDAG-SNVBAGLBSA-N -1 3 287.323 1.907 20 30 CDEDHM C=C[C@H](COC)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001588525785 1173074986 /nfs/dbraw/zinc/07/49/86/1173074986.db2.gz KRKXCPPYEFAZPJ-NXEZZACHSA-N -1 3 289.339 1.424 20 30 CDEDHM C=CCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC001588609844 1173088592 /nfs/dbraw/zinc/08/85/92/1173088592.db2.gz VLCRWKYVUNRCSL-UHFFFAOYSA-N -1 3 256.313 1.738 20 30 CDEDHM C=CCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001588609844 1173088599 /nfs/dbraw/zinc/08/85/99/1173088599.db2.gz VLCRWKYVUNRCSL-UHFFFAOYSA-N -1 3 256.313 1.738 20 30 CDEDHM C=CCCNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588609338 1173088911 /nfs/dbraw/zinc/08/89/11/1173088911.db2.gz MXJILNLXZSEJMT-UHFFFAOYSA-N -1 3 286.339 1.584 20 30 CDEDHM C=CCCNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588609338 1173088918 /nfs/dbraw/zinc/08/89/18/1173088918.db2.gz MXJILNLXZSEJMT-UHFFFAOYSA-N -1 3 286.339 1.584 20 30 CDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1CCC1=O ZINC001588648677 1173094434 /nfs/dbraw/zinc/09/44/34/1173094434.db2.gz OHYCXKGAMJXKDT-UHFFFAOYSA-N -1 3 298.350 1.045 20 30 CDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1CCC1=O ZINC001588648677 1173094439 /nfs/dbraw/zinc/09/44/39/1173094439.db2.gz OHYCXKGAMJXKDT-UHFFFAOYSA-N -1 3 298.350 1.045 20 30 CDEDHM CC#CCN(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588746232 1173101235 /nfs/dbraw/zinc/10/12/35/1173101235.db2.gz OMFVPRVZWQCFMN-UHFFFAOYSA-N -1 3 288.286 1.493 20 30 CDEDHM CC#CCN(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588746232 1173101239 /nfs/dbraw/zinc/10/12/39/1173101239.db2.gz OMFVPRVZWQCFMN-UHFFFAOYSA-N -1 3 288.286 1.493 20 30 CDEDHM C[C@H](CC#N)NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589786778 1173179593 /nfs/dbraw/zinc/17/95/93/1173179593.db2.gz CLFLWFXWVVWJQB-MRVPVSSYSA-N -1 3 287.283 1.167 20 30 CDEDHM C[C@H](CC#N)NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589786778 1173179596 /nfs/dbraw/zinc/17/95/96/1173179596.db2.gz CLFLWFXWVVWJQB-MRVPVSSYSA-N -1 3 287.283 1.167 20 30 CDEDHM CC[C@@H](C#N)C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590367368 1173377078 /nfs/dbraw/zinc/37/70/78/1173377078.db2.gz OKUPRUHFDKCGTI-MNOVXSKESA-N -1 3 298.350 1.936 20 30 CDEDHM CC[C@@H](C#N)C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590367368 1173377092 /nfs/dbraw/zinc/37/70/92/1173377092.db2.gz OKUPRUHFDKCGTI-MNOVXSKESA-N -1 3 298.350 1.936 20 30 CDEDHM COCCN(C)N=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC001591421046 1173649576 /nfs/dbraw/zinc/64/95/76/1173649576.db2.gz YTOHIPHJWIBCCU-UHFFFAOYSA-N -1 3 292.318 1.308 20 30 CDEDHM COCCN(C)N=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC001591421046 1173649577 /nfs/dbraw/zinc/64/95/77/1173649577.db2.gz YTOHIPHJWIBCCU-UHFFFAOYSA-N -1 3 292.318 1.308 20 30 CDEDHM COc1cc(Oc2cc(C#N)cnn2)ccc1-c1nnn[n-]1 ZINC001591553464 1173669598 /nfs/dbraw/zinc/66/95/98/1173669598.db2.gz HTPLIEGRBVIAFL-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM COc1cc(Oc2cc(C#N)cnn2)ccc1-c1nn[n-]n1 ZINC001591553464 1173669601 /nfs/dbraw/zinc/66/96/01/1173669601.db2.gz HTPLIEGRBVIAFL-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM Cc1c(C(=O)N(C)C2(C#N)CCC2)cccc1-c1nnn[n-]1 ZINC001591802074 1173705904 /nfs/dbraw/zinc/70/59/04/1173705904.db2.gz PZMSFOSRHQEWKO-UHFFFAOYSA-N -1 3 296.334 1.693 20 30 CDEDHM Cc1c(C(=O)N(C)C2(C#N)CCC2)cccc1-c1nn[n-]n1 ZINC001591802074 1173705910 /nfs/dbraw/zinc/70/59/10/1173705910.db2.gz PZMSFOSRHQEWKO-UHFFFAOYSA-N -1 3 296.334 1.693 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001592340870 1173862041 /nfs/dbraw/zinc/86/20/41/1173862041.db2.gz LHNZUVPNKSCOEM-HBNTYKKESA-N -1 3 281.323 1.456 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001592340870 1173862044 /nfs/dbraw/zinc/86/20/44/1173862044.db2.gz LHNZUVPNKSCOEM-HBNTYKKESA-N -1 3 281.323 1.456 20 30 CDEDHM Cc1nc(N2CCC[C@@H](C#N)C2)ccc1-c1nnn[n-]1 ZINC001592370492 1173870301 /nfs/dbraw/zinc/87/03/01/1173870301.db2.gz YHSHHSJUVFTDMS-JTQLQIEISA-N -1 3 269.312 1.310 20 30 CDEDHM Cc1nc(N2CCC[C@@H](C#N)C2)ccc1-c1nn[n-]n1 ZINC001592370492 1173870305 /nfs/dbraw/zinc/87/03/05/1173870305.db2.gz YHSHHSJUVFTDMS-JTQLQIEISA-N -1 3 269.312 1.310 20 30 CDEDHM N#CC1CCC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001592671257 1173963402 /nfs/dbraw/zinc/96/34/02/1173963402.db2.gz KBJXTJVCMJFARY-UHFFFAOYSA-N -1 3 299.338 1.255 20 30 CDEDHM N#CC1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001592671257 1173963407 /nfs/dbraw/zinc/96/34/07/1173963407.db2.gz KBJXTJVCMJFARY-UHFFFAOYSA-N -1 3 299.338 1.255 20 30 CDEDHM N#CCCCCC(=O)OCc1cncc(-c2nnn[n-]2)c1 ZINC001592675503 1173965424 /nfs/dbraw/zinc/96/54/24/1173965424.db2.gz VULZPACPEGRRBL-UHFFFAOYSA-N -1 3 286.295 1.389 20 30 CDEDHM N#CCCCCC(=O)OCc1cncc(-c2nn[n-]n2)c1 ZINC001592675503 1173965429 /nfs/dbraw/zinc/96/54/29/1173965429.db2.gz VULZPACPEGRRBL-UHFFFAOYSA-N -1 3 286.295 1.389 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H](CO)CC1CC1 ZINC001592699307 1173974082 /nfs/dbraw/zinc/97/40/82/1173974082.db2.gz VRKAUEANTIUXAB-NSHDSACASA-N -1 3 298.350 1.559 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H](CO)CC1CC1 ZINC001592699307 1173974088 /nfs/dbraw/zinc/97/40/88/1173974088.db2.gz VRKAUEANTIUXAB-NSHDSACASA-N -1 3 298.350 1.559 20 30 CDEDHM N#Cc1nccc(Oc2ccccc2-c2nnn[n-]2)n1 ZINC001592710225 1173980048 /nfs/dbraw/zinc/98/00/48/1173980048.db2.gz YHXMVEMGQXZLHL-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM N#Cc1nccc(Oc2ccccc2-c2nn[n-]n2)n1 ZINC001592710225 1173980054 /nfs/dbraw/zinc/98/00/54/1173980054.db2.gz YHXMVEMGQXZLHL-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM N#CCCC[C@@H](N)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001601067314 1174726353 /nfs/dbraw/zinc/72/63/53/1174726353.db2.gz WNNMXCSHJDQMGN-CYBMUJFWSA-N -1 3 289.335 1.065 20 30 CDEDHM C#CC[C@H](COC)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC001602696486 1175361749 /nfs/dbraw/zinc/36/17/49/1175361749.db2.gz BHGAZBKETQWSQV-SECBINFHSA-N -1 3 291.742 1.970 20 30 CDEDHM C#CC[C@H](COC)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC001602696486 1175361757 /nfs/dbraw/zinc/36/17/57/1175361757.db2.gz BHGAZBKETQWSQV-SECBINFHSA-N -1 3 291.742 1.970 20 30 CDEDHM C#CC[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001602699469 1175363403 /nfs/dbraw/zinc/36/34/03/1175363403.db2.gz GZTWFYNNHAIUBT-NSHDSACASA-N -1 3 268.324 1.501 20 30 CDEDHM C#CC[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001602699469 1175363413 /nfs/dbraw/zinc/36/34/13/1175363413.db2.gz GZTWFYNNHAIUBT-NSHDSACASA-N -1 3 268.324 1.501 20 30 CDEDHM C#CC[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001602699749 1175363564 /nfs/dbraw/zinc/36/35/64/1175363564.db2.gz KCJQRYMVOGOAKE-SNVBAGLBSA-N -1 3 288.380 1.871 20 30 CDEDHM C#CCCCCC(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001602710031 1175369375 /nfs/dbraw/zinc/36/93/75/1175369375.db2.gz NKXSGXZAOHVOSA-UHFFFAOYSA-N -1 3 284.323 1.072 20 30 CDEDHM C#CCCCCC(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001602710031 1175369381 /nfs/dbraw/zinc/36/93/81/1175369381.db2.gz NKXSGXZAOHVOSA-UHFFFAOYSA-N -1 3 284.323 1.072 20 30 CDEDHM C(#Cc1ccccc1)CNCc1ccc(-c2nnn[n-]2)cn1 ZINC001602745454 1175382569 /nfs/dbraw/zinc/38/25/69/1175382569.db2.gz GBSIUODMYFDLJH-UHFFFAOYSA-N -1 3 290.330 1.403 20 30 CDEDHM C(#Cc1ccccc1)CNCc1ccc(-c2nn[n-]n2)cn1 ZINC001602745454 1175382576 /nfs/dbraw/zinc/38/25/76/1175382576.db2.gz GBSIUODMYFDLJH-UHFFFAOYSA-N -1 3 290.330 1.403 20 30 CDEDHM C=C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)C(C)(C)C ZINC001602802956 1175405009 /nfs/dbraw/zinc/40/50/09/1175405009.db2.gz FITZRTZPDUBAKD-LLVKDONJSA-N -1 3 289.339 1.963 20 30 CDEDHM C=C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)C(C)(C)C ZINC001602802956 1175405013 /nfs/dbraw/zinc/40/50/13/1175405013.db2.gz FITZRTZPDUBAKD-LLVKDONJSA-N -1 3 289.339 1.963 20 30 CDEDHM C=C[C@@H](O)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001602804156 1175408129 /nfs/dbraw/zinc/40/81/29/1175408129.db2.gz SODQIWAWSBMFAI-GFCCVEGCSA-N -1 3 285.307 1.230 20 30 CDEDHM C=C[C@@H](O)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001602804156 1175408132 /nfs/dbraw/zinc/40/81/32/1175408132.db2.gz SODQIWAWSBMFAI-GFCCVEGCSA-N -1 3 285.307 1.230 20 30 CDEDHM C=CCCN(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001602839972 1175428549 /nfs/dbraw/zinc/42/85/49/1175428549.db2.gz OIEFHGIESZCRDN-UHFFFAOYSA-N -1 3 263.326 1.576 20 30 CDEDHM C=CCCN(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001602839972 1175428551 /nfs/dbraw/zinc/42/85/51/1175428551.db2.gz OIEFHGIESZCRDN-UHFFFAOYSA-N -1 3 263.326 1.576 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001602887937 1175444889 /nfs/dbraw/zinc/44/48/89/1175444889.db2.gz BIULZLPGYIMSRA-MNOVXSKESA-N -1 3 286.339 1.634 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001602887937 1175444893 /nfs/dbraw/zinc/44/48/93/1175444893.db2.gz BIULZLPGYIMSRA-MNOVXSKESA-N -1 3 286.339 1.634 20 30 CDEDHM CC(C)(C#N)CC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001603034501 1175479852 /nfs/dbraw/zinc/47/98/52/1175479852.db2.gz FOABKYVWZINGQN-UHFFFAOYSA-N -1 3 290.352 1.484 20 30 CDEDHM CC(C)[C@H](C#N)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603200898 1175512861 /nfs/dbraw/zinc/51/28/61/1175512861.db2.gz OWEKYUDWYAPJHR-LBPRGKRZSA-N -1 3 285.307 1.501 20 30 CDEDHM CC(C)[C@H](C#N)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603200898 1175512866 /nfs/dbraw/zinc/51/28/66/1175512866.db2.gz OWEKYUDWYAPJHR-LBPRGKRZSA-N -1 3 285.307 1.501 20 30 CDEDHM C[C@@H]1CCCC[C@@H]1Cn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001603891392 1175672711 /nfs/dbraw/zinc/67/27/11/1175672711.db2.gz GLJHLMCKBOIVDQ-RKDXNWHRSA-N -1 3 286.343 1.343 20 30 CDEDHM C[C@@H]1CCCC[C@@H]1Cn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001603891392 1175672713 /nfs/dbraw/zinc/67/27/13/1175672713.db2.gz GLJHLMCKBOIVDQ-RKDXNWHRSA-N -1 3 286.343 1.343 20 30 CDEDHM CC[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001603978021 1175704828 /nfs/dbraw/zinc/70/48/28/1175704828.db2.gz PBKAKTGIHFJJEB-FRRDWIJNSA-N -1 3 297.318 1.816 20 30 CDEDHM CC[C@H](C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001603978021 1175704833 /nfs/dbraw/zinc/70/48/33/1175704833.db2.gz PBKAKTGIHFJJEB-FRRDWIJNSA-N -1 3 297.318 1.816 20 30 CDEDHM CC[C@](C)(C#N)C(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001603979963 1175705408 /nfs/dbraw/zinc/70/54/08/1175705408.db2.gz FICHESROVVVZIJ-GFCCVEGCSA-N -1 3 271.284 1.140 20 30 CDEDHM CC[C@](C)(C#N)C(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001603979963 1175705410 /nfs/dbraw/zinc/70/54/10/1175705410.db2.gz FICHESROVVVZIJ-GFCCVEGCSA-N -1 3 271.284 1.140 20 30 CDEDHM CC[C@@H](CC#N)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC001604013670 1175719663 /nfs/dbraw/zinc/71/96/63/1175719663.db2.gz MCFSPMALMSKKCM-VIFPVBQESA-N -1 3 274.284 1.054 20 30 CDEDHM CC[C@@H](CC#N)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC001604013670 1175719668 /nfs/dbraw/zinc/71/96/68/1175719668.db2.gz MCFSPMALMSKKCM-VIFPVBQESA-N -1 3 274.284 1.054 20 30 CDEDHM N#CCNCC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001753541897 1185251106 /nfs/dbraw/zinc/25/11/06/1185251106.db2.gz XRMZOTJQEQKQON-ZDUSSCGKSA-N -1 3 287.363 1.748 20 30 CDEDHM Fc1cc(C=NN[C@H]2CCSC2)ccc1-c1nnn[n-]1 ZINC001606308675 1163852707 /nfs/dbraw/zinc/85/27/07/1163852707.db2.gz GVPVYTNFERYMJL-VIFPVBQESA-N -1 3 292.343 1.435 20 30 CDEDHM Fc1cc(C=NN[C@H]2CCSC2)ccc1-c1nn[n-]n1 ZINC001606308675 1163852709 /nfs/dbraw/zinc/85/27/09/1163852709.db2.gz GVPVYTNFERYMJL-VIFPVBQESA-N -1 3 292.343 1.435 20 30 CDEDHM C=C(C)CNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609051582 1164743713 /nfs/dbraw/zinc/74/37/13/1164743713.db2.gz IKPJVXWJDWBYBA-JTQLQIEISA-N -1 3 287.323 1.326 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609051363 1164743867 /nfs/dbraw/zinc/74/38/67/1164743867.db2.gz XAZVWZUEHZSSAI-UHFFFAOYSA-N -1 3 277.353 1.966 20 30 CDEDHM C=C(C)CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001609051472 1164744120 /nfs/dbraw/zinc/74/41/20/1164744120.db2.gz BBQSLQDENLLRSX-UHFFFAOYSA-N -1 3 257.297 1.481 20 30 CDEDHM C=C(C)CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001609051472 1164744126 /nfs/dbraw/zinc/74/41/26/1164744126.db2.gz BBQSLQDENLLRSX-UHFFFAOYSA-N -1 3 257.297 1.481 20 30 CDEDHM C=C[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001609052778 1164744826 /nfs/dbraw/zinc/74/48/26/1164744826.db2.gz PLIMKVGMRDFHBN-JTQLQIEISA-N -1 3 272.312 1.376 20 30 CDEDHM C=C[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001609052778 1164744831 /nfs/dbraw/zinc/74/48/31/1164744831.db2.gz PLIMKVGMRDFHBN-JTQLQIEISA-N -1 3 272.312 1.376 20 30 CDEDHM C=C(C)C(C)(C)C(=O)OCc1ncc(-c2nnn[n-]2)cn1 ZINC001609051128 1164745526 /nfs/dbraw/zinc/74/55/26/1164745526.db2.gz OWMUGSPFOGWITR-UHFFFAOYSA-N -1 3 288.311 1.302 20 30 CDEDHM C=C(C)C(C)(C)C(=O)OCc1ncc(-c2nn[n-]n2)cn1 ZINC001609051128 1164745530 /nfs/dbraw/zinc/74/55/30/1164745530.db2.gz OWMUGSPFOGWITR-UHFFFAOYSA-N -1 3 288.311 1.302 20 30 CDEDHM C=CCCCOC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001609054576 1164746959 /nfs/dbraw/zinc/74/69/59/1164746959.db2.gz ASGOWISYNNLJER-UHFFFAOYSA-N -1 3 261.285 1.626 20 30 CDEDHM C=CCCCOC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001609054576 1164746963 /nfs/dbraw/zinc/74/69/63/1164746963.db2.gz ASGOWISYNNLJER-UHFFFAOYSA-N -1 3 261.285 1.626 20 30 CDEDHM C=CCNC(=O)COc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609058704 1164751248 /nfs/dbraw/zinc/75/12/48/1164751248.db2.gz PKOSJOBKJBLRNV-UHFFFAOYSA-N -1 3 293.714 1.201 20 30 CDEDHM C=CCNC(=O)COc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609058704 1164751253 /nfs/dbraw/zinc/75/12/53/1164751253.db2.gz PKOSJOBKJBLRNV-UHFFFAOYSA-N -1 3 293.714 1.201 20 30 CDEDHM C#CCn1ccc(CN(CC)CC2(C(=O)[O-])CC2)n1 ZINC001609174892 1164815669 /nfs/dbraw/zinc/81/56/69/1164815669.db2.gz RJCYWEMUTHTZQX-UHFFFAOYSA-N -1 3 261.325 1.203 20 30 CDEDHM Cc1cc(C)c(C(=O)N[C@H]2CCCN([O-])C2=O)s1 ZINC000868562940 1164961585 /nfs/dbraw/zinc/96/15/85/1164961585.db2.gz MJONZZATNPKNIM-VIFPVBQESA-N -1 3 268.338 1.475 20 30 CDEDHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N(C)CCC#N ZINC000819867110 783738940 /nfs/dbraw/zinc/73/89/40/783738940.db2.gz RNHDNEPWMMQOKA-JTQLQIEISA-N -1 3 299.338 1.039 20 30 CDEDHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)CCC#N ZINC000819867110 783738984 /nfs/dbraw/zinc/73/89/84/783738984.db2.gz RNHDNEPWMMQOKA-JTQLQIEISA-N -1 3 299.338 1.039 20 30 CDEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)[C@@H](O)C(F)(F)F ZINC000819568992 783891353 /nfs/dbraw/zinc/89/13/53/783891353.db2.gz ZQZSQNAAAOVTLG-PHDIDXHHSA-N -1 3 261.190 1.626 20 30 CDEDHM C#CCC[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC000885011381 783950652 /nfs/dbraw/zinc/95/06/52/783950652.db2.gz MDGNJROMHYEZIM-UHFFFAOYSA-N -1 3 258.730 1.345 20 30 CDEDHM C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC000874390141 784055280 /nfs/dbraw/zinc/05/52/80/784055280.db2.gz ASEZZBJAFLIWDK-AULYBMBSSA-N -1 3 295.383 1.189 20 30 CDEDHM C=CCO[N-]C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000854851619 784082840 /nfs/dbraw/zinc/08/28/40/784082840.db2.gz ARBABYXAEAEFNM-NEPJUHHUSA-N -1 3 266.341 1.401 20 30 CDEDHM Cc1nc(NC(=O)N[C@@H]2CCCN([O-])C2=O)sc1C ZINC000866107767 784128827 /nfs/dbraw/zinc/12/88/27/784128827.db2.gz FHVONZBJEZEHMB-MRVPVSSYSA-N -1 3 284.341 1.262 20 30 CDEDHM C=C[C@@H](O)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000814545806 784289072 /nfs/dbraw/zinc/28/90/72/784289072.db2.gz RPRQXKVOYOPCPH-SECBINFHSA-N -1 3 276.248 1.032 20 30 CDEDHM Cc1cc(C)cc(CC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000854648798 784302303 /nfs/dbraw/zinc/30/23/03/784302303.db2.gz KCKKJJAJTWOUHI-ZDUSSCGKSA-N -1 3 276.336 1.342 20 30 CDEDHM C#Cc1ccccc1CC(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000811452796 784453971 /nfs/dbraw/zinc/45/39/71/784453971.db2.gz IYSNFLXEHMBQSF-UHFFFAOYSA-N -1 3 297.314 1.749 20 30 CDEDHM C#Cc1ccccc1CC(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000811452796 784453995 /nfs/dbraw/zinc/45/39/95/784453995.db2.gz IYSNFLXEHMBQSF-UHFFFAOYSA-N -1 3 297.314 1.749 20 30 CDEDHM C#CC(C)(C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000881887748 785049600 /nfs/dbraw/zinc/04/96/00/785049600.db2.gz DFVXSGAGMBQXIG-UHFFFAOYSA-N -1 3 288.350 1.655 20 30 CDEDHM COc1ccc(F)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000879081952 785344006 /nfs/dbraw/zinc/34/40/06/785344006.db2.gz TVWUQSOECHVAPZ-SECBINFHSA-N -1 3 297.286 1.336 20 30 CDEDHM CC(C)c1nn(C)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000879457517 785716016 /nfs/dbraw/zinc/71/60/16/785716016.db2.gz SEVKCKFABMNZDB-VIFPVBQESA-N -1 3 295.343 1.045 20 30 CDEDHM CC(C)c1ncsc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848132112 785774154 /nfs/dbraw/zinc/77/41/54/785774154.db2.gz NXLUAYPKTGCHHH-MRVPVSSYSA-N -1 3 283.353 1.377 20 30 CDEDHM C#CC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000070119018 785861967 /nfs/dbraw/zinc/86/19/67/785861967.db2.gz ZAPIKGSGQMYZCS-UHFFFAOYSA-N -1 3 259.277 1.655 20 30 CDEDHM [O-]c1c(F)cc(F)cc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000884442989 785863490 /nfs/dbraw/zinc/86/34/90/785863490.db2.gz WWSAWJHSWJHABH-RYUDHWBXSA-N -1 3 294.305 1.864 20 30 CDEDHM CC(C)(O)CON=c1cc(C#N)c(Br)c[n-]1 ZINC000882273740 786208471 /nfs/dbraw/zinc/20/84/71/786208471.db2.gz VPNYAJMGRYKVKG-UHFFFAOYSA-N -1 3 286.129 1.830 20 30 CDEDHM CC1(C#N)CCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833551538 786237020 /nfs/dbraw/zinc/23/70/20/786237020.db2.gz OHBSGLIHASKYOT-LBPRGKRZSA-N -1 3 259.309 1.833 20 30 CDEDHM O=C1NCCCN1N=Cc1cc(Cl)ccc1[O-] ZINC000777897587 786324276 /nfs/dbraw/zinc/32/42/76/786324276.db2.gz AFZQIUBEGIGNEJ-UHFFFAOYSA-N -1 3 253.689 1.795 20 30 CDEDHM C=C(C)C[C@H](CO)NC(=O)c1ccc(OC)cc1[O-] ZINC000882887770 786513966 /nfs/dbraw/zinc/51/39/66/786513966.db2.gz FEHVUTCCQNWVMK-SNVBAGLBSA-N -1 3 265.309 1.458 20 30 CDEDHM CCC[C@@H](CC(C)C)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848131306 786773882 /nfs/dbraw/zinc/77/38/82/786773882.db2.gz CFETYVYVTFSGRO-NWDGAFQWSA-N -1 3 270.373 1.945 20 30 CDEDHM C=CCCCNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000790618634 787246684 /nfs/dbraw/zinc/24/66/84/787246684.db2.gz MNJACDGJKXXBDT-JLHYYAGUSA-N -1 3 256.305 1.853 20 30 CDEDHM C=CCO[N-]C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000837044742 787333890 /nfs/dbraw/zinc/33/38/90/787333890.db2.gz SAMRLRJYTORKKK-UHFFFAOYSA-N -1 3 267.329 1.924 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H]1CCCC(F)(F)C1 ZINC000816758080 787477545 /nfs/dbraw/zinc/47/75/45/787477545.db2.gz ICIQRMCYMDCOTL-BDAKNGLRSA-N -1 3 276.283 1.308 20 30 CDEDHM Cc1ncc(CO)c(/C=N\CC[C@H]2CCCCO2)c1[O-] ZINC000779707623 787625964 /nfs/dbraw/zinc/62/59/64/787625964.db2.gz PHUAARJBQFSMOJ-WPBJZHHJSA-N -1 3 278.352 1.966 20 30 CDEDHM N#Cc1ncn(CCCC2CCCC2)c1-c1nnn[n-]1 ZINC000826388230 787815659 /nfs/dbraw/zinc/81/56/59/787815659.db2.gz NVLWGYMYWHGKAA-UHFFFAOYSA-N -1 3 271.328 1.905 20 30 CDEDHM COc1cc(CC(=O)N[C@H]2CCCN([O-])C2=O)ccc1C ZINC000816752557 787822577 /nfs/dbraw/zinc/82/25/77/787822577.db2.gz IDAKGFIFYFFVTE-LBPRGKRZSA-N -1 3 292.335 1.043 20 30 CDEDHM C=C(C)CO[N-]C(=O)CCCCN1CCOCC1 ZINC000846535048 787830816 /nfs/dbraw/zinc/83/08/16/787830816.db2.gz NWJUPUPFUQOSIG-UHFFFAOYSA-N -1 3 256.346 1.113 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1CCCC(F)(F)C1 ZINC000816758081 787832214 /nfs/dbraw/zinc/83/22/14/787832214.db2.gz ICIQRMCYMDCOTL-DTWKUNHWSA-N -1 3 276.283 1.308 20 30 CDEDHM C[C@@H]1CC/C(=C/C(=O)N[C@H]2CCCN([O-])C2=O)C1 ZINC000816753813 788196439 /nfs/dbraw/zinc/19/64/39/788196439.db2.gz PSHRYPUIUDCJFG-QTCFEDSUSA-N -1 3 252.314 1.229 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000846552101 788310830 /nfs/dbraw/zinc/31/08/30/788310830.db2.gz ZYCWECPKFQUFOS-NEPJUHHUSA-N -1 3 282.384 1.893 20 30 CDEDHM C=C[C@@H](CC(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000820470532 788317545 /nfs/dbraw/zinc/31/75/45/788317545.db2.gz AVRKXNJQDLWJBD-GXTWGEPZSA-N -1 3 288.347 1.843 20 30 CDEDHM C=CCC(F)(F)C(=O)[N-]Cc1nc(-c2ccncc2)no1 ZINC000814930148 788686871 /nfs/dbraw/zinc/68/68/71/788686871.db2.gz SIINGUOCPJCJDR-UHFFFAOYSA-N -1 3 294.261 1.959 20 30 CDEDHM COC(=O)c1ccc(Cl)c(C=NN2CC(=O)[N-]C2=O)c1 ZINC000794850345 788850293 /nfs/dbraw/zinc/85/02/93/788850293.db2.gz IOWKPDVYBMHNRQ-UHFFFAOYSA-N -1 3 295.682 1.012 20 30 CDEDHM C#C[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)[C@H]1CCCO1 ZINC000839727832 789007750 /nfs/dbraw/zinc/00/77/50/789007750.db2.gz HVLNHTIBKZUXSX-UKRRQHHQSA-N -1 3 287.315 1.505 20 30 CDEDHM C[C@@H]1CN(CCOC(=O)c2cc([O-])cc(C#N)c2)CCO1 ZINC000811187506 789168063 /nfs/dbraw/zinc/16/80/63/789168063.db2.gz IDESQSGHRMXRHH-LLVKDONJSA-N -1 3 290.319 1.141 20 30 CDEDHM C[C@H](CC#N)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848583387 789211226 /nfs/dbraw/zinc/21/12/26/789211226.db2.gz XZSLNJRYNIVNRS-MRVPVSSYSA-N -1 3 299.233 1.985 20 30 CDEDHM O=C(CCOc1cccc(F)c1)N[C@@H]1CCCN([O-])C1=O ZINC000848137344 789234823 /nfs/dbraw/zinc/23/48/23/789234823.db2.gz DQQDYSHCQXEWIW-GFCCVEGCSA-N -1 3 296.298 1.091 20 30 CDEDHM C[C@H]1Cc2cc(C(=O)N[C@H]3CCCN([O-])C3=O)ccc2O1 ZINC000854648866 789287840 /nfs/dbraw/zinc/28/78/40/789287840.db2.gz LQECLHKRSWVWIO-CABZTGNLSA-N -1 3 290.319 1.120 20 30 CDEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)nn1C(C)(C)C ZINC000816759986 789299858 /nfs/dbraw/zinc/29/98/58/789299858.db2.gz ZAISBRHOLZPABJ-JTQLQIEISA-N -1 3 294.355 1.057 20 30 CDEDHM CC(=O)c1ccc(C(=O)N=C2C[C@H](C)ON2)cc1[O-] ZINC000839715597 789315030 /nfs/dbraw/zinc/31/50/30/789315030.db2.gz YIFZBAGZBPWXNQ-ZETCQYMHSA-N -1 3 262.265 1.447 20 30 CDEDHM N#CCCNC(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775928371 789505795 /nfs/dbraw/zinc/50/57/95/789505795.db2.gz CLKIYCQFLLGZCG-UHFFFAOYSA-N -1 3 282.683 1.232 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H](F)CC1CCCCC1 ZINC000848132045 789505862 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ZINC001602750155 1167829084 /nfs/dbraw/zinc/82/90/84/1167829084.db2.gz NCNHNTLTPYJPAJ-ISALQUGTSA-N -1 3 265.309 1.794 20 30 CDEDHM C=C(C)C(=O)NCCCNc1ccccc1-c1nnn[n-]1 ZINC001167669939 897437951 /nfs/dbraw/zinc/43/79/51/897437951.db2.gz WUYRHORZFLVBDR-UHFFFAOYSA-N -1 3 286.339 1.361 20 30 CDEDHM C=C(C)C(=O)NCCCNc1ccccc1-c1nn[n-]n1 ZINC001167669939 897437958 /nfs/dbraw/zinc/43/79/58/897437958.db2.gz WUYRHORZFLVBDR-UHFFFAOYSA-N -1 3 286.339 1.361 20 30 CDEDHM C=C(Cl)CNC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001268683570 902960950 /nfs/dbraw/zinc/96/09/50/902960950.db2.gz CQXFSMPMYNQGRO-VIFPVBQESA-N -1 3 269.732 1.248 20 30 CDEDHM C=C(C)C(=O)OCCNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001168077626 906728561 /nfs/dbraw/zinc/72/85/61/906728561.db2.gz ZBSZJGZZVMYCDN-UHFFFAOYSA-N -1 3 291.286 1.537 20 30 CDEDHM C=C(C)C(=O)OCCNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001168077626 906728571 /nfs/dbraw/zinc/72/85/71/906728571.db2.gz ZBSZJGZZVMYCDN-UHFFFAOYSA-N -1 3 291.286 1.537 20 30 CDEDHM 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ZINC001602837681 1175428257 /nfs/dbraw/zinc/42/82/57/1175428257.db2.gz DMSDULKUHRSZCV-UHFFFAOYSA-N -1 3 264.358 1.721 20 30 CDEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC000826359885 609134391 /nfs/dbraw/zinc/13/43/91/609134391.db2.gz SCFKFCDFLJZYOE-DJWKRKHSSA-N -1 3 298.281 1.635 20 30 CDEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC000826359885 609134392 /nfs/dbraw/zinc/13/43/92/609134392.db2.gz SCFKFCDFLJZYOE-DJWKRKHSSA-N -1 3 298.281 1.635 20 30 CDEDHM N#Cc1cc(NC(=O)C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826383981 609383861 /nfs/dbraw/zinc/38/38/61/609383861.db2.gz ALURZQYAYRJLFJ-UHFFFAOYSA-N -1 3 282.185 1.239 20 30 CDEDHM N#Cc1cc(NC(=O)C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000826383981 609383863 /nfs/dbraw/zinc/38/38/63/609383863.db2.gz ALURZQYAYRJLFJ-UHFFFAOYSA-N -1 3 282.185 1.239 20 30 CDEDHM C[C@H](C#N)CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000824033937 609384275 /nfs/dbraw/zinc/38/42/75/609384275.db2.gz DCRKVJVROWWQBI-SECBINFHSA-N -1 3 279.307 1.986 20 30 CDEDHM C[C@H](C#N)CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000824033937 609384276 /nfs/dbraw/zinc/38/42/76/609384276.db2.gz DCRKVJVROWWQBI-SECBINFHSA-N -1 3 279.307 1.986 20 30 CDEDHM N#Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383515 609454300 /nfs/dbraw/zinc/45/43/00/609454300.db2.gz DWOXMMPPTUWEIF-UHFFFAOYSA-N -1 3 297.253 1.458 20 30 CDEDHM N#Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383515 609454301 /nfs/dbraw/zinc/45/43/01/609454301.db2.gz DWOXMMPPTUWEIF-UHFFFAOYSA-N -1 3 297.253 1.458 20 30 CDEDHM C=C1CC(C)(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC000890533225 617199728 /nfs/dbraw/zinc/19/97/28/617199728.db2.gz LNMSASNHGGGKLU-LLVKDONJSA-N -1 3 288.351 1.233 20 30 CDEDHM CCC(=NN(C)C[C@H](C)O)c1ccc([O-])c(F)c1 ZINC000841651693 617427505 /nfs/dbraw/zinc/42/75/05/617427505.db2.gz PNAPFBIRYPVMRQ-VIFPVBQESA-N -1 3 254.305 1.958 20 30 CDEDHM N#CC1(C(=O)N2CCCc3c(=O)[n-]cnc32)CCCC1 ZINC000893213768 617467930 /nfs/dbraw/zinc/46/79/30/617467930.db2.gz 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C[C@H](CC#N)NC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c21 ZINC001589788376 1173182411 /nfs/dbraw/zinc/18/24/11/1173182411.db2.gz XKWQVRVOARMGLM-MRVPVSSYSA-N -1 3 295.306 1.380 20 30 CDEDHM C[C@@H]1C[C@@H](CO)CN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590193434 1173286867 /nfs/dbraw/zinc/28/68/67/1173286867.db2.gz PYLQADRSZIGWAA-GHMZBOCLSA-N -1 3 298.350 1.193 20 30 CDEDHM C[C@@H]1C[C@@H](CO)CN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590193434 1173286873 /nfs/dbraw/zinc/28/68/73/1173286873.db2.gz PYLQADRSZIGWAA-GHMZBOCLSA-N -1 3 298.350 1.193 20 30 CDEDHM CC[C@@H](O)CCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590474534 1173426589 /nfs/dbraw/zinc/42/65/89/1173426589.db2.gz AYHYPYQZNYRYTD-LLVKDONJSA-N -1 3 286.339 1.701 20 30 CDEDHM CC[C@@H](O)CCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590474534 1173426592 /nfs/dbraw/zinc/42/65/92/1173426592.db2.gz AYHYPYQZNYRYTD-LLVKDONJSA-N -1 3 286.339 1.701 20 30 CDEDHM CCN(CC#N)C(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590679753 1173490930 /nfs/dbraw/zinc/49/09/30/1173490930.db2.gz 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ZINC001592562605 1173921034 /nfs/dbraw/zinc/92/10/34/1173921034.db2.gz YZFJBYMEUFLQKC-UHFFFAOYSA-N -1 3 286.295 1.198 20 30 CDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OC1(CC#N)CCC1 ZINC001592562605 1173921029 /nfs/dbraw/zinc/92/10/29/1173921029.db2.gz YZFJBYMEUFLQKC-UHFFFAOYSA-N -1 3 286.295 1.198 20 30 CDEDHM FC(F)CNN=CCCc1ccc(-c2nnn[n-]2)cc1 ZINC001592623062 1173933630 /nfs/dbraw/zinc/93/36/30/1173933630.db2.gz HNJZOEMFIGPCAR-UHFFFAOYSA-N -1 3 280.282 1.640 20 30 CDEDHM FC(F)CNN=CCCc1ccc(-c2nn[n-]n2)cc1 ZINC001592623062 1173933633 /nfs/dbraw/zinc/93/36/33/1173933633.db2.gz HNJZOEMFIGPCAR-UHFFFAOYSA-N -1 3 280.282 1.640 20 30 CDEDHM N#CC1(CNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001592669721 1173961110 /nfs/dbraw/zinc/96/11/10/1173961110.db2.gz KQEKBUULEUVSBY-UHFFFAOYSA-N -1 3 269.312 1.758 20 30 CDEDHM N#CC1(CNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001592669721 1173961113 /nfs/dbraw/zinc/96/11/13/1173961113.db2.gz KQEKBUULEUVSBY-UHFFFAOYSA-N -1 3 269.312 1.758 20 30 CDEDHM N#CC1CCC(CNc2cc(-c3nnn[n-]3)cnn2)CC1 ZINC001592671270 1173964399 /nfs/dbraw/zinc/96/43/99/1173964399.db2.gz KPIYGDSWZUKCFJ-UHFFFAOYSA-N -1 3 284.327 1.399 20 30 CDEDHM N#CC1CCC(CNc2cc(-c3nn[n-]n3)cnn2)CC1 ZINC001592671270 1173964402 /nfs/dbraw/zinc/96/44/02/1173964402.db2.gz KPIYGDSWZUKCFJ-UHFFFAOYSA-N -1 3 284.327 1.399 20 30 CDEDHM N#CCC[C@H](C#N)CN1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001592674568 1173965606 /nfs/dbraw/zinc/96/56/06/1173965606.db2.gz FPEVBMHQGMRBIK-LLVKDONJSA-N -1 3 293.334 1.626 20 30 CDEDHM N#CCC[C@H](C#N)CN1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001592674568 1173965614 /nfs/dbraw/zinc/96/56/14/1173965614.db2.gz FPEVBMHQGMRBIK-LLVKDONJSA-N -1 3 293.334 1.626 20 30 CDEDHM N#CCC1(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592675531 1173965652 /nfs/dbraw/zinc/96/56/52/1173965652.db2.gz QEQPQXLSTHZAMJ-UHFFFAOYSA-N -1 3 282.307 1.290 20 30 CDEDHM N#CCC1(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592675531 1173965660 /nfs/dbraw/zinc/96/56/60/1173965660.db2.gz QEQPQXLSTHZAMJ-UHFFFAOYSA-N -1 3 282.307 1.290 20 30 CDEDHM N#CCc1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001592680137 1173968904 /nfs/dbraw/zinc/96/89/04/1173968904.db2.gz PDXRQIZJLXGIGY-UHFFFAOYSA-N -1 3 291.318 1.940 20 30 CDEDHM N#CCc1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001592680137 1173968910 /nfs/dbraw/zinc/96/89/10/1173968910.db2.gz PDXRQIZJLXGIGY-UHFFFAOYSA-N -1 3 291.318 1.940 20 30 CDEDHM N#Cc1ncn(Cc2ncccc2Cl)c1-c1nnn[n-]1 ZINC001592709969 1173979821 /nfs/dbraw/zinc/97/98/21/1173979821.db2.gz OSMGEFPRPFRTNU-UHFFFAOYSA-N -1 3 286.686 1.032 20 30 CDEDHM N#Cc1ncn(CC(=O)C2CCCCC2)c1-c1nnn[n-]1 ZINC001592709707 1173981313 /nfs/dbraw/zinc/98/13/13/1173981313.db2.gz MAKCDOHXIKFKAW-UHFFFAOYSA-N -1 3 285.311 1.084 20 30 CDEDHM N#CC1([N-]S(=O)(=O)c2ccc(F)cc2F)CCC1 ZINC000119810160 1175158050 /nfs/dbraw/zinc/15/80/50/1175158050.db2.gz FGNPNFBNBBWOOI-UHFFFAOYSA-N -1 3 272.276 1.689 20 30 CDEDHM C#C[C@@H](Nc1nnccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001602690767 1175355840 /nfs/dbraw/zinc/35/58/40/1175355840.db2.gz 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/nfs/dbraw/zinc/36/66/23/1175366623.db2.gz OKABBISATIIQBE-UHFFFAOYSA-N -1 3 270.296 1.312 20 30 CDEDHM C#CCCCC(=O)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001602706260 1175366626 /nfs/dbraw/zinc/36/66/26/1175366626.db2.gz OKABBISATIIQBE-UHFFFAOYSA-N -1 3 270.296 1.312 20 30 CDEDHM C(=NN[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001602745725 1175381431 /nfs/dbraw/zinc/38/14/31/1175381431.db2.gz QJCWCSFEMFEISS-MRVPVSSYSA-N -1 3 278.341 1.031 20 30 CDEDHM C(=NOC[C@@H]1CCOC1)c1csc(-c2nnn[n-]2)c1 ZINC001602747075 1175383826 /nfs/dbraw/zinc/38/38/26/1175383826.db2.gz XAFNRSJPBAFVFH-MRVPVSSYSA-N -1 3 279.325 1.315 20 30 CDEDHM C=C(C)CN(C)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001602758676 1175390484 /nfs/dbraw/zinc/39/04/84/1175390484.db2.gz MZDDXTYPJRTFJI-UHFFFAOYSA-N -1 3 278.341 1.968 20 30 CDEDHM C=C(C)CN(C)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001602758676 1175390489 /nfs/dbraw/zinc/39/04/89/1175390489.db2.gz MZDDXTYPJRTFJI-UHFFFAOYSA-N -1 3 278.341 1.968 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)cc1OC 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C[C@H](C#N)COC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602988020 1175473204 /nfs/dbraw/zinc/47/32/04/1175473204.db2.gz AAYCYVIYSAUSMJ-SNVBAGLBSA-N -1 3 297.318 1.601 20 30 CDEDHM C[C@H](C#N)COC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602988020 1175473206 /nfs/dbraw/zinc/47/32/06/1175473206.db2.gz AAYCYVIYSAUSMJ-SNVBAGLBSA-N -1 3 297.318 1.601 20 30 CDEDHM C[C@]1(C#N)CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001603736074 1175611052 /nfs/dbraw/zinc/61/10/52/1175611052.db2.gz DHEPJHXDVWOUNH-CYBMUJFWSA-N -1 3 254.297 1.607 20 30 CDEDHM C[C@]1(C#N)CCN(C(=O)c2cscc2-c2nnn[n-]2)C1 ZINC001603735974 1175611319 /nfs/dbraw/zinc/61/13/19/1175611319.db2.gz ANBBMQNCZAORDS-GFCCVEGCSA-N -1 3 288.336 1.304 20 30 CDEDHM C[C@]1(C#N)CCN(C(=O)c2cscc2-c2nn[n-]n2)C1 ZINC001603735974 1175611325 /nfs/dbraw/zinc/61/13/25/1175611325.db2.gz ANBBMQNCZAORDS-GFCCVEGCSA-N -1 3 288.336 1.304 20 30 CDEDHM CCC#CCOC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001603962072 1175700671 /nfs/dbraw/zinc/70/06/71/1175700671.db2.gz 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256.313 1.598 20 30 CDEDHM C[C@@H]1C[C@@H]1CN=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820664803 607254344 /nfs/dbraw/zinc/25/43/44/607254344.db2.gz CGRLGUPNDLIUAS-BXKDBHETSA-N -1 3 256.313 1.598 20 30 CDEDHM C#CCN(CC#CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819697951 599551671 /nfs/dbraw/zinc/55/16/71/599551671.db2.gz PETUVHPYCCKXKJ-UHFFFAOYSA-N -1 3 294.318 1.357 20 30 CDEDHM C#CCN(CC#CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819697951 599551672 /nfs/dbraw/zinc/55/16/72/599551672.db2.gz PETUVHPYCCKXKJ-UHFFFAOYSA-N -1 3 294.318 1.357 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)CC#N ZINC000826251494 607401149 /nfs/dbraw/zinc/40/11/49/607401149.db2.gz RGYFMKQOAUYCQD-VIFPVBQESA-N -1 3 271.280 1.634 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)CC#N ZINC000826251494 607401150 /nfs/dbraw/zinc/40/11/50/607401150.db2.gz RGYFMKQOAUYCQD-VIFPVBQESA-N -1 3 271.280 1.634 20 30 CDEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000822669668 607460234 /nfs/dbraw/zinc/46/02/34/607460234.db2.gz LIBGBGBSYWEDBB-SNAWJCMRSA-N -1 3 298.281 1.635 20 30 CDEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000822669668 607460235 /nfs/dbraw/zinc/46/02/35/607460235.db2.gz LIBGBGBSYWEDBB-SNAWJCMRSA-N -1 3 298.281 1.635 20 30 CDEDHM C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1C(=O)[O-] ZINC000235342730 601539359 /nfs/dbraw/zinc/53/93/59/601539359.db2.gz CHSFUWKCEFTNTA-BXKDBHETSA-N -1 3 262.284 1.850 20 30 CDEDHM C[C@H]1OCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000825013543 607654217 /nfs/dbraw/zinc/65/42/17/607654217.db2.gz QARWBORUVQNYJB-SECBINFHSA-N -1 3 272.312 1.121 20 30 CDEDHM C[C@H]1OCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000825013543 607654219 /nfs/dbraw/zinc/65/42/19/607654219.db2.gz QARWBORUVQNYJB-SECBINFHSA-N -1 3 272.312 1.121 20 30 CDEDHM O=C(C=Cc1cn[nH]c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826403015 607681970 /nfs/dbraw/zinc/68/19/70/607681970.db2.gz HUIFDNQUGJWLGQ-PLNGDYQASA-N -1 3 266.264 1.486 20 30 CDEDHM O=C(C=Cc1cn[nH]c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826403015 607681972 /nfs/dbraw/zinc/68/19/72/607681972.db2.gz HUIFDNQUGJWLGQ-PLNGDYQASA-N -1 3 266.264 1.486 20 30 CDEDHM C#CCC[C@@H](C)OC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001602703446 1175366763 /nfs/dbraw/zinc/36/67/63/1175366763.db2.gz QRQNTUHDWVTTMY-SNVBAGLBSA-N -1 3 285.307 1.529 20 30 CDEDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NCC#N)c1ccccc1 ZINC000833412253 605182244 /nfs/dbraw/zinc/18/22/44/605182244.db2.gz JJMSRQPKZVWSGF-CYBMUJFWSA-N -1 3 289.335 1.068 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001602758682 1175390289 /nfs/dbraw/zinc/39/02/89/1175390289.db2.gz NFCYAYCWJREOBY-UHFFFAOYSA-N -1 3 272.312 1.300 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001602758682 1175390294 /nfs/dbraw/zinc/39/02/94/1175390294.db2.gz NFCYAYCWJREOBY-UHFFFAOYSA-N -1 3 272.312 1.300 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000095172110 606217972 /nfs/dbraw/zinc/21/79/72/606217972.db2.gz QFVMPZUEFKYHFQ-UHFFFAOYSA-N -1 3 274.328 1.243 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000095172110 606217973 /nfs/dbraw/zinc/21/79/73/606217973.db2.gz QFVMPZUEFKYHFQ-UHFFFAOYSA-N -1 3 274.328 1.243 20 30 CDEDHM C#CCN(CC#C)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000819698057 606450499 /nfs/dbraw/zinc/45/04/99/606450499.db2.gz QWEQSGCUQGQOEF-UHFFFAOYSA-N -1 3 269.283 1.074 20 30 CDEDHM C#CCN(CC#C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000819698057 606450501 /nfs/dbraw/zinc/45/05/01/606450501.db2.gz QWEQSGCUQGQOEF-UHFFFAOYSA-N -1 3 269.283 1.074 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@H](C)CC#N ZINC000822218161 606657270 /nfs/dbraw/zinc/65/72/70/606657270.db2.gz YTYHAZMZAGTEDD-SNVBAGLBSA-N -1 3 299.338 1.941 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@H](C)CC#N ZINC000822218161 606657271 /nfs/dbraw/zinc/65/72/71/606657271.db2.gz YTYHAZMZAGTEDD-SNVBAGLBSA-N -1 3 299.338 1.941 20 30 CDEDHM C[C@@H](CC#N)N(C)CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820220223 606660495 /nfs/dbraw/zinc/66/04/95/606660495.db2.gz OOLRWYWFDHLQQH-NSHDSACASA-N -1 3 286.339 1.479 20 30 CDEDHM C=C[C@](C)(CC)C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001602790774 1175404108 /nfs/dbraw/zinc/40/41/08/1175404108.db2.gz SNCVOODEIGUTCT-CQSZACIVSA-N -1 3 286.339 1.827 20 30 CDEDHM C=C[C@](C)(CC)C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001602790774 1175404112 /nfs/dbraw/zinc/40/41/12/1175404112.db2.gz SNCVOODEIGUTCT-CQSZACIVSA-N -1 3 286.339 1.827 20 30 CDEDHM Cc1nn(C)cc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826334280 607886226 /nfs/dbraw/zinc/88/62/26/607886226.db2.gz OUWIZBHAMHMBIE-UHFFFAOYSA-N -1 3 282.311 1.355 20 30 CDEDHM Cc1ccc(N=NCc2ccccc2-c2nnn[n-]2)nn1 ZINC000826291359 607888695 /nfs/dbraw/zinc/88/86/95/607888695.db2.gz BJFAOPYVOFEUSX-UHFFFAOYSA-N -1 3 280.295 1.411 20 30 CDEDHM Cc1ccc(N=NCc2ccccc2-c2nn[n-]n2)nn1 ZINC000826291359 607888696 /nfs/dbraw/zinc/88/86/96/607888696.db2.gz BJFAOPYVOFEUSX-UHFFFAOYSA-N -1 3 280.295 1.411 20 30 CDEDHM C=CCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602840125 1175427298 /nfs/dbraw/zinc/42/72/98/1175427298.db2.gz PLOYOHUDNKEHGX-UHFFFAOYSA-N -1 3 273.300 1.349 20 30 CDEDHM C=CCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602840125 1175427312 /nfs/dbraw/zinc/42/73/12/1175427312.db2.gz PLOYOHUDNKEHGX-UHFFFAOYSA-N -1 3 273.300 1.349 20 30 CDEDHM C[C@H](CC#N)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824385278 608649643 /nfs/dbraw/zinc/64/96/43/608649643.db2.gz PGZNURJQBWZISN-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM C[C@H](CC#N)N(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824385278 608649647 /nfs/dbraw/zinc/64/96/47/608649647.db2.gz PGZNURJQBWZISN-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC000826234374 609406174 /nfs/dbraw/zinc/40/61/74/609406174.db2.gz SNZMMMIPBRDINH-VMPITWQZSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826234374 609406176 /nfs/dbraw/zinc/40/61/76/609406176.db2.gz SNZMMMIPBRDINH-VMPITWQZSA-N -1 3 294.318 1.805 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000890651798 617250323 /nfs/dbraw/zinc/25/03/23/617250323.db2.gz XEBRZKOXLKVITE-JTQLQIEISA-N -1 3 273.288 1.749 20 30 CDEDHM C=C(C)CCN1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC000949952510 613246729 /nfs/dbraw/zinc/24/67/29/613246729.db2.gz PDRZRIPTFVLKPX-UHFFFAOYSA-N -1 3 289.379 1.900 20 30 CDEDHM CC(C)CNN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000824266360 618561085 /nfs/dbraw/zinc/56/10/85/618561085.db2.gz JOPGCYJHXHTAGL-UHFFFAOYSA-N -1 3 262.292 1.585 20 30 CDEDHM CC(C)CNN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000824266360 618561090 /nfs/dbraw/zinc/56/10/90/618561090.db2.gz JOPGCYJHXHTAGL-UHFFFAOYSA-N -1 3 262.292 1.585 20 30 CDEDHM N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826381107 618591182 /nfs/dbraw/zinc/59/11/82/618591182.db2.gz XPACCQDIFQJXSQ-PWSUYJOCSA-N -1 3 297.322 1.680 20 30 CDEDHM N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826381107 618591185 /nfs/dbraw/zinc/59/11/85/618591185.db2.gz XPACCQDIFQJXSQ-PWSUYJOCSA-N -1 3 297.322 1.680 20 30 CDEDHM N#Cc1c(Cn2ccc(-c3nnn[n-]3)c2)cn2ccccc12 ZINC000826383307 618591788 /nfs/dbraw/zinc/59/17/88/618591788.db2.gz UKJSBEBPBUGLHK-UHFFFAOYSA-N -1 3 289.302 1.841 20 30 CDEDHM N#Cc1c(Cn2ccc(-c3nn[n-]n3)c2)cn2ccccc12 ZINC000826383307 618591798 /nfs/dbraw/zinc/59/17/98/618591798.db2.gz UKJSBEBPBUGLHK-UHFFFAOYSA-N -1 3 289.302 1.841 20 30 CDEDHM N#CCCCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826381286 618592521 /nfs/dbraw/zinc/59/25/21/618592521.db2.gz FXSQBFDJJVXTCL-UHFFFAOYSA-N -1 3 292.249 1.178 20 30 CDEDHM N#CCCCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826381286 618592523 /nfs/dbraw/zinc/59/25/23/618592523.db2.gz FXSQBFDJJVXTCL-UHFFFAOYSA-N -1 3 292.249 1.178 20 30 CDEDHM Cc1ncc(CNC(=O)c2ccc(C#N)s2)c(=O)[n-]1 ZINC000345092279 618652017 /nfs/dbraw/zinc/65/20/17/618652017.db2.gz KPFWRNSRLVLVKB-UHFFFAOYSA-N -1 3 274.305 1.354 20 30 CDEDHM CC(C)(C)c1ncc(CN[C@@H]2CCCN([O-])C2=O)cn1 ZINC000895158424 619374217 /nfs/dbraw/zinc/37/42/17/619374217.db2.gz IGHQLWFCRDIDOO-LLVKDONJSA-N -1 3 278.356 1.244 20 30 CDEDHM COc1ccc(CN[C@@H]2CCCN([O-])C2=O)cc1F ZINC000895164657 619391890 /nfs/dbraw/zinc/39/18/90/619391890.db2.gz GAOXSISMZKDBQK-LLVKDONJSA-N -1 3 268.288 1.304 20 30 CDEDHM Cc1ncc(CO)c(/C=N/[C@H]2CC23CCOCC3)c1[O-] ZINC000840710777 620355201 /nfs/dbraw/zinc/35/52/01/620355201.db2.gz UWUIXYKSMIOXCX-TVYFDWKESA-N -1 3 276.336 1.576 20 30 CDEDHM C#CCO[C@H](C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC000898096116 621332595 /nfs/dbraw/zinc/33/25/95/621332595.db2.gz OPKSLHQQGPZMAW-SECBINFHSA-N -1 3 293.323 1.342 20 30 CDEDHM C#CCO[C@H](C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC000898096116 621332602 /nfs/dbraw/zinc/33/26/02/621332602.db2.gz OPKSLHQQGPZMAW-SECBINFHSA-N -1 3 293.323 1.342 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)CCCN(C)C(=O)OCC ZINC000898280455 621456246 /nfs/dbraw/zinc/45/62/46/621456246.db2.gz CHTRTPQHEZTHFB-SNVBAGLBSA-N -1 3 258.318 1.477 20 30 CDEDHM N#CC1(C(=O)NCCCc2c[n-][nH]c2=O)CCCCC1 ZINC000898735841 621856476 /nfs/dbraw/zinc/85/64/76/621856476.db2.gz ZYCWKBOZIOPNBV-LLVKDONJSA-N -1 3 276.340 1.089 20 30 CDEDHM C#CCC1(C(=O)NCCCc2c[n-][nH]c2=O)CCCCC1 ZINC000898739980 621858514 /nfs/dbraw/zinc/85/85/14/621858514.db2.gz OBFIHJGWVJGHSL-ZDUSSCGKSA-N -1 3 289.379 1.588 20 30 CDEDHM C=CCCC[C@@H](N)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000900455181 623080803 /nfs/dbraw/zinc/08/08/03/623080803.db2.gz ZAZNOHHPKUDWJR-SNVBAGLBSA-N -1 3 254.330 1.184 20 30 CDEDHM CCCCN([O-])C(=O)Cn1ncc2cc(C)cnc21 ZINC000900682104 623369334 /nfs/dbraw/zinc/36/93/34/623369334.db2.gz JLDNYVOTKIAYCW-UHFFFAOYSA-N -1 3 262.313 1.758 20 30 CDEDHM COC[C@H](C)NC(=S)NN=C(C)c1ccc(F)c([O-])c1 ZINC000901138421 623897172 /nfs/dbraw/zinc/89/71/72/623897172.db2.gz NVXLSHPDCJSDHR-QMMMGPOBSA-N -1 3 299.371 1.754 20 30 CDEDHM C=CCN(CC(=O)[O-])Cc1cc(F)ccc1N(C)C ZINC000901587226 624346653 /nfs/dbraw/zinc/34/66/53/624346653.db2.gz VSSBHGHHBSYEMY-UHFFFAOYSA-N -1 3 266.316 1.964 20 30 CDEDHM CCCCN([O-])C(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000904210516 626214510 /nfs/dbraw/zinc/21/45/10/626214510.db2.gz SOLKGMWRYHFNBS-UHFFFAOYSA-N -1 3 292.382 1.288 20 30 CDEDHM CN1CCCC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1=O ZINC000904177733 626211299 /nfs/dbraw/zinc/21/12/99/626211299.db2.gz MVCPOJYBRSSMPC-ZDUSSCGKSA-N -1 3 294.326 1.802 20 30 CDEDHM Cc1cnc(Cl)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000908407903 628185828 /nfs/dbraw/zinc/18/58/28/628185828.db2.gz YBROTGXHPWCRST-SECBINFHSA-N -1 3 283.715 1.153 20 30 CDEDHM C#CC[C@H](NC(=O)CN(C)CCCCCC)C(=O)[O-] ZINC000910051194 628828148 /nfs/dbraw/zinc/82/81/48/628828148.db2.gz GKISCUGKLFOCJE-LBPRGKRZSA-N -1 3 268.357 1.091 20 30 CDEDHM C#CCN(C)CCCNC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000911404576 629271045 /nfs/dbraw/zinc/27/10/45/629271045.db2.gz AFPJYTLBTSTOJU-UHFFFAOYSA-N -1 3 288.347 1.378 20 30 CDEDHM CCCOc1cccc(C=NN2CC(=O)[N-]C2=O)c1 ZINC000917541857 632235784 /nfs/dbraw/zinc/23/57/84/632235784.db2.gz SHABIKUHSPNZBA-UHFFFAOYSA-N -1 3 261.281 1.361 20 30 CDEDHM CCC(C#N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C ZINC001604863583 1163357203 /nfs/dbraw/zinc/35/72/03/1163357203.db2.gz CMHWPUIDDSHISZ-ZJUUUORDSA-N -1 3 298.339 1.227 20 30 CDEDHM Cc1cc(C=NN[C@@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001605652674 1163634547 /nfs/dbraw/zinc/63/45/47/1163634547.db2.gz QOWMXNNSGIGIDR-GFCCVEGCSA-N -1 3 286.339 1.278 20 30 CDEDHM Cc1cc(C=NN[C@@H]2CCCOC2)ccc1-c1nn[n-]n1 ZINC001605652674 1163634553 /nfs/dbraw/zinc/63/45/53/1163634553.db2.gz QOWMXNNSGIGIDR-GFCCVEGCSA-N -1 3 286.339 1.278 20 30 CDEDHM Cc1cc(CN=Nc2cccnn2)ccc1-c1nnn[n-]1 ZINC001605652986 1163635538 /nfs/dbraw/zinc/63/55/38/1163635538.db2.gz VAPRWNOBJNHGJH-UHFFFAOYSA-N -1 3 280.295 1.411 20 30 CDEDHM Cc1cc(CN=Nc2cccnn2)ccc1-c1nn[n-]n1 ZINC001605652986 1163635541 /nfs/dbraw/zinc/63/55/41/1163635541.db2.gz VAPRWNOBJNHGJH-UHFFFAOYSA-N -1 3 280.295 1.411 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1C#N ZINC001605799036 1163673889 /nfs/dbraw/zinc/67/38/89/1163673889.db2.gz OBDUJVQLGCKSLM-NXEZZACHSA-N -1 3 268.280 1.273 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1C#N ZINC001605799036 1163673891 /nfs/dbraw/zinc/67/38/91/1163673891.db2.gz OBDUJVQLGCKSLM-NXEZZACHSA-N -1 3 268.280 1.273 20 30 CDEDHM Cn1c(C(=O)Nc2sccc2C#N)ccc1-c1nnn[n-]1 ZINC001606213861 1163815327 /nfs/dbraw/zinc/81/53/27/1163815327.db2.gz DUYBZZYPFQNDBD-UHFFFAOYSA-N -1 3 299.319 1.391 20 30 CDEDHM Cn1c(C(=O)Nc2sccc2C#N)ccc1-c1nn[n-]n1 ZINC001606213861 1163815331 /nfs/dbraw/zinc/81/53/31/1163815331.db2.gz DUYBZZYPFQNDBD-UHFFFAOYSA-N -1 3 299.319 1.391 20 30 CDEDHM Cn1cc(C(C)(C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC001608106117 1164410205 /nfs/dbraw/zinc/41/02/05/1164410205.db2.gz RUHHZLXHZMFIAH-AWEZNQCLSA-N -1 3 298.346 1.942 20 30 CDEDHM C#CCCCC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001609020029 1164729064 /nfs/dbraw/zinc/72/90/64/1164729064.db2.gz OYPPRBYXANFKJF-UHFFFAOYSA-N -1 3 281.319 1.559 20 30 CDEDHM C#CCCCC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001609020029 1164729069 /nfs/dbraw/zinc/72/90/69/1164729069.db2.gz OYPPRBYXANFKJF-UHFFFAOYSA-N -1 3 281.319 1.559 20 30 CDEDHM C#CCCCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609019862 1164730091 /nfs/dbraw/zinc/73/00/91/1164730091.db2.gz JGUJMMIDWHSLAL-UHFFFAOYSA-N -1 3 288.282 1.853 20 30 CDEDHM C#CCCCC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609019862 1164730094 /nfs/dbraw/zinc/73/00/94/1164730094.db2.gz JGUJMMIDWHSLAL-UHFFFAOYSA-N -1 3 288.282 1.853 20 30 CDEDHM C=CC[C@H](C)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609052438 1164745120 /nfs/dbraw/zinc/74/51/20/1164745120.db2.gz CBDCHASETMAOQO-ZETCQYMHSA-N -1 3 263.326 1.623 20 30 CDEDHM C=CCN(C(=O)c1cscc1-c1nnn[n-]1)C1CC1 ZINC001609056031 1164749408 /nfs/dbraw/zinc/74/94/08/1164749408.db2.gz LXNGATBVNHKGHC-UHFFFAOYSA-N -1 3 275.337 1.719 20 30 CDEDHM C=CCN(C(=O)c1cscc1-c1nn[n-]n1)C1CC1 ZINC001609056031 1164749414 /nfs/dbraw/zinc/74/94/14/1164749414.db2.gz LXNGATBVNHKGHC-UHFFFAOYSA-N -1 3 275.337 1.719 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C/C(Cl)=C\Cl ZINC001609446654 1164951007 /nfs/dbraw/zinc/95/10/07/1164951007.db2.gz LBHBUMTWMHIFDA-QHHAFSJGSA-N -1 3 284.110 1.562 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C/C(Cl)=C\Cl ZINC001609446654 1164951012 /nfs/dbraw/zinc/95/10/12/1164951012.db2.gz LBHBUMTWMHIFDA-QHHAFSJGSA-N -1 3 284.110 1.562 20 30 CDEDHM N#CCC[C@@H](C#N)COc1ccccc1-c1nnn[n-]1 ZINC001609494784 1164976432 /nfs/dbraw/zinc/97/64/32/1164976432.db2.gz NDBWYBMYVCJWRI-JTQLQIEISA-N -1 3 268.280 1.689 20 30 CDEDHM N#CCC[C@@H](C#N)COc1ccccc1-c1nn[n-]n1 ZINC001609494784 1164976441 /nfs/dbraw/zinc/97/64/41/1164976441.db2.gz NDBWYBMYVCJWRI-JTQLQIEISA-N -1 3 268.280 1.689 20 30 CDEDHM C[C@](CO)(CNCc1ccc(C#N)cc1F)CC(=O)[O-] ZINC001646238709 1167718779 /nfs/dbraw/zinc/71/87/79/1167718779.db2.gz OBBKLDWCFZOXFN-CQSZACIVSA-N -1 3 280.299 1.260 20 30 CDEDHM CC(C)(C#N)CCCCN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001609647386 1167942530 /nfs/dbraw/zinc/94/25/30/1167942530.db2.gz HZAXMYUFZSVCIP-GFCCVEGCSA-N -1 3 295.383 1.372 20 30 CDEDHM N#Cc1cc(CNc2ccc(-c3nnn[n-]3)cn2)ccn1 ZINC001581866826 1172625922 /nfs/dbraw/zinc/62/59/22/1172625922.db2.gz WPMGUDAUCGKJIW-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1cc(CNc2ccc(-c3nn[n-]n3)cn2)ccn1 ZINC001581866826 1172625930 /nfs/dbraw/zinc/62/59/30/1172625930.db2.gz WPMGUDAUCGKJIW-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001581876043 1172626088 /nfs/dbraw/zinc/62/60/88/1172626088.db2.gz CNAKSQHQLYUCKT-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001581876043 1172626094 /nfs/dbraw/zinc/62/60/94/1172626094.db2.gz CNAKSQHQLYUCKT-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM C#C[C@@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588327005 1173028324 /nfs/dbraw/zinc/02/83/24/1173028324.db2.gz ZZFSPOCWDGXHOW-SNVBAGLBSA-N -1 3 299.334 1.162 20 30 CDEDHM C#C[C@@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588327005 1173028329 /nfs/dbraw/zinc/02/83/29/1173028329.db2.gz ZZFSPOCWDGXHOW-SNVBAGLBSA-N -1 3 299.334 1.162 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588327650 1173029270 /nfs/dbraw/zinc/02/92/70/1173029270.db2.gz NRWGEQMXXNUHPA-JTQLQIEISA-N -1 3 299.338 1.494 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588327650 1173029274 /nfs/dbraw/zinc/02/92/74/1173029274.db2.gz NRWGEQMXXNUHPA-JTQLQIEISA-N -1 3 299.338 1.494 20 30 CDEDHM C#CCCNc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001588347674 1173046626 /nfs/dbraw/zinc/04/66/26/1173046626.db2.gz WEVLMEXEUNOVPI-UHFFFAOYSA-N -1 3 262.704 1.659 20 30 CDEDHM C#CCCNc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001588347674 1173046629 /nfs/dbraw/zinc/04/66/29/1173046629.db2.gz WEVLMEXEUNOVPI-UHFFFAOYSA-N -1 3 262.704 1.659 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588349004 1173046714 /nfs/dbraw/zinc/04/67/14/1173046714.db2.gz YAHLZTZTTCGRMM-UHFFFAOYSA-N -1 3 284.323 1.136 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588349004 1173046724 /nfs/dbraw/zinc/04/67/24/1173046724.db2.gz YAHLZTZTTCGRMM-UHFFFAOYSA-N -1 3 284.323 1.136 20 30 CDEDHM C#CCCOC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001588347053 1173048383 /nfs/dbraw/zinc/04/83/83/1173048383.db2.gz HCTCHUVWDRNFGY-UHFFFAOYSA-N -1 3 270.292 1.664 20 30 CDEDHM C#CCCOC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001588347053 1173048390 /nfs/dbraw/zinc/04/83/90/1173048390.db2.gz HCTCHUVWDRNFGY-UHFFFAOYSA-N -1 3 270.292 1.664 20 30 CDEDHM C#CCN(CC1CC1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588350623 1173049621 /nfs/dbraw/zinc/04/96/21/1173049621.db2.gz IDNIQCFNFLNEKP-UHFFFAOYSA-N -1 3 295.346 1.281 20 30 CDEDHM C#CCN(CC1CC1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588350623 1173049625 /nfs/dbraw/zinc/04/96/25/1173049625.db2.gz IDNIQCFNFLNEKP-UHFFFAOYSA-N -1 3 295.346 1.281 20 30 CDEDHM C#CCn1cc(CNc2nccc(C)c2-c2nnn[n-]2)cn1 ZINC001588363912 1173054850 /nfs/dbraw/zinc/05/48/50/1173054850.db2.gz IMIWWWPXTWBWAK-UHFFFAOYSA-N -1 3 294.322 1.012 20 30 CDEDHM C#CCn1cc(CNc2nccc(C)c2-c2nn[n-]n2)cn1 ZINC001588363912 1173054852 /nfs/dbraw/zinc/05/48/52/1173054852.db2.gz IMIWWWPXTWBWAK-UHFFFAOYSA-N -1 3 294.322 1.012 20 30 CDEDHM C=CC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588488513 1173068381 /nfs/dbraw/zinc/06/83/81/1173068381.db2.gz JFZXXLFWHSJRMM-UHFFFAOYSA-N -1 3 272.312 1.265 20 30 CDEDHM C=CC(C)(C)CCOC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588487662 1173070407 /nfs/dbraw/zinc/07/04/07/1173070407.db2.gz AALNIGCHDSZVFK-UHFFFAOYSA-N -1 3 289.339 1.964 20 30 CDEDHM C=CC(C)(C)CCOC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588487662 1173070411 /nfs/dbraw/zinc/07/04/11/1173070411.db2.gz AALNIGCHDSZVFK-UHFFFAOYSA-N -1 3 289.339 1.964 20 30 CDEDHM C=C[C@H](C)NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588515879 1173071201 /nfs/dbraw/zinc/07/12/01/1173071201.db2.gz JSLVLEAVNODNBZ-QMMMGPOBSA-N -1 3 282.307 1.652 20 30 CDEDHM C=C[C@H](CC)CC(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001588525547 1173071931 /nfs/dbraw/zinc/07/19/31/1173071931.db2.gz IFBSQFMSISULEQ-SECBINFHSA-N -1 3 272.312 1.803 20 30 CDEDHM C=C[C@H](CC)CC(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001588525547 1173071940 /nfs/dbraw/zinc/07/19/40/1173071940.db2.gz IFBSQFMSISULEQ-SECBINFHSA-N -1 3 272.312 1.803 20 30 CDEDHM C=C[C@H](O)C(=O)OCc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588525264 1173072681 /nfs/dbraw/zinc/07/26/81/1173072681.db2.gz FEQATHQDSBJBOB-LBPRGKRZSA-N -1 3 288.307 1.074 20 30 CDEDHM C=C[C@H](O)C(=O)OCc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588525264 1173072684 /nfs/dbraw/zinc/07/26/84/1173072684.db2.gz FEQATHQDSBJBOB-LBPRGKRZSA-N -1 3 288.307 1.074 20 30 CDEDHM C=CC[C@@H](CO)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001588545462 1173079493 /nfs/dbraw/zinc/07/94/93/1173079493.db2.gz HDSNDIUYJDHFAS-QMMMGPOBSA-N -1 3 294.746 1.572 20 30 CDEDHM C=CC[C@@H](CO)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001588545462 1173079502 /nfs/dbraw/zinc/07/95/02/1173079502.db2.gz HDSNDIUYJDHFAS-QMMMGPOBSA-N -1 3 294.746 1.572 20 30 CDEDHM C=CCC[C@@H](O)CN1CCc2c1cccc2-c1nnn[n-]1 ZINC001588578776 1173083101 /nfs/dbraw/zinc/08/31/01/1173083101.db2.gz FLNDSMJSHJWWMJ-LLVKDONJSA-N -1 3 285.351 1.556 20 30 CDEDHM C=CCC[C@@H](O)CN1CCc2c1cccc2-c1nn[n-]n1 ZINC001588578776 1173083108 /nfs/dbraw/zinc/08/31/08/1173083108.db2.gz FLNDSMJSHJWWMJ-LLVKDONJSA-N -1 3 285.351 1.556 20 30 CDEDHM C=CCCSCCNc1ncncc1-c1nnn[n-]1 ZINC001588621287 1173091708 /nfs/dbraw/zinc/09/17/08/1173091708.db2.gz ZKWNBLDADXLGGN-UHFFFAOYSA-N -1 3 277.357 1.378 20 30 CDEDHM C=CCN(CC=C)c1nc2ncccc2cc1-c1nnn[n-]1 ZINC001588632473 1173094548 /nfs/dbraw/zinc/09/45/48/1173094548.db2.gz ZFOINYBDIGXUFG-UHFFFAOYSA-N -1 3 293.334 1.988 20 30 CDEDHM C=CCN(CC=C)c1nc2ncccc2cc1-c1nn[n-]n1 ZINC001588632473 1173094552 /nfs/dbraw/zinc/09/45/52/1173094552.db2.gz ZFOINYBDIGXUFG-UHFFFAOYSA-N -1 3 293.334 1.988 20 30 CDEDHM C=CCN(CC=C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588631518 1173094784 /nfs/dbraw/zinc/09/47/84/1173094784.db2.gz GMGJRKOIGNHMCX-UHFFFAOYSA-N -1 3 298.350 1.750 20 30 CDEDHM C=CCN(CC=C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588631518 1173094789 /nfs/dbraw/zinc/09/47/89/1173094789.db2.gz GMGJRKOIGNHMCX-UHFFFAOYSA-N -1 3 298.350 1.750 20 30 CDEDHM C=CCSCCNc1ncccc1-c1nnn[n-]1 ZINC001588694814 1173099654 /nfs/dbraw/zinc/09/96/54/1173099654.db2.gz OHOAFANJWDILPH-UHFFFAOYSA-N -1 3 262.342 1.593 20 30 CDEDHM C=CCSCCNc1ncccc1-c1nn[n-]n1 ZINC001588694814 1173099660 /nfs/dbraw/zinc/09/96/60/1173099660.db2.gz OHOAFANJWDILPH-UHFFFAOYSA-N -1 3 262.342 1.593 20 30 CDEDHM CC#CC[C@@H](CO)Nc1cc(-c2nnn[n-]2)ccc1C(C)=O ZINC001588738667 1173102093 /nfs/dbraw/zinc/10/20/93/1173102093.db2.gz QCBVCHNAPWQAHS-LBPRGKRZSA-N -1 3 299.334 1.256 20 30 CDEDHM CC#CC[C@@H](CO)Nc1cc(-c2nn[n-]n2)ccc1C(C)=O ZINC001588738667 1173102098 /nfs/dbraw/zinc/10/20/98/1173102098.db2.gz QCBVCHNAPWQAHS-LBPRGKRZSA-N -1 3 299.334 1.256 20 30 CDEDHM C[C@@H](C#N)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001588934485 1173114387 /nfs/dbraw/zinc/11/43/87/1173114387.db2.gz NNWGVXTYFAVWMT-QMMMGPOBSA-N -1 3 253.269 1.310 20 30 CDEDHM C[C@@H](C#N)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001588934485 1173114390 /nfs/dbraw/zinc/11/43/90/1173114390.db2.gz NNWGVXTYFAVWMT-QMMMGPOBSA-N -1 3 253.269 1.310 20 30 CDEDHM C[C@H](CC#N)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589786732 1173178706 /nfs/dbraw/zinc/17/87/06/1173178706.db2.gz BHLFFNHVAPGBPE-SSDOTTSWSA-N -1 3 273.256 1.489 20 30 CDEDHM C[C@H](CC#N)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589786732 1173178709 /nfs/dbraw/zinc/17/87/09/1173178709.db2.gz BHLFFNHVAPGBPE-SSDOTTSWSA-N -1 3 273.256 1.489 20 30 CDEDHM C[C@@H](CC#N)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001589786341 1173179897 /nfs/dbraw/zinc/17/98/97/1173179897.db2.gz HCCUHKMLRDHYTA-QMMMGPOBSA-N -1 3 281.279 1.227 20 30 CDEDHM C[C@@H](CC#N)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001589786341 1173179898 /nfs/dbraw/zinc/17/98/98/1173179898.db2.gz HCCUHKMLRDHYTA-QMMMGPOBSA-N -1 3 281.279 1.227 20 30 CDEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590085822 1173252194 /nfs/dbraw/zinc/25/21/94/1173252194.db2.gz VDIAASSWMWSWIV-AWEZNQCLSA-N -1 3 282.307 1.289 20 30 CDEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590085822 1173252199 /nfs/dbraw/zinc/25/21/99/1173252199.db2.gz VDIAASSWMWSWIV-AWEZNQCLSA-N -1 3 282.307 1.289 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001590368027 1173375945 /nfs/dbraw/zinc/37/59/45/1173375945.db2.gz RVKMPMPTPDBOKS-MRVPVSSYSA-N -1 3 291.698 1.979 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001590368027 1173375955 /nfs/dbraw/zinc/37/59/55/1173375955.db2.gz RVKMPMPTPDBOKS-MRVPVSSYSA-N -1 3 291.698 1.979 20 30 CDEDHM CC[C@](C)(C#N)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590371572 1173380715 /nfs/dbraw/zinc/38/07/15/1173380715.db2.gz DPMUZEPNYWWYHX-ZUZCIYMTSA-N -1 3 298.350 1.984 20 30 CDEDHM CC[C@](C)(C#N)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590371572 1173380720 /nfs/dbraw/zinc/38/07/20/1173380720.db2.gz DPMUZEPNYWWYHX-ZUZCIYMTSA-N -1 3 298.350 1.984 20 30 CDEDHM CC[C@H](CC#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590419079 1173401575 /nfs/dbraw/zinc/40/15/75/1173401575.db2.gz CBGJKPHXQNQXEY-QDZRJHCZSA-N -1 3 296.334 1.688 20 30 CDEDHM CC[C@H](CC#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590419079 1173401581 /nfs/dbraw/zinc/40/15/81/1173401581.db2.gz CBGJKPHXQNQXEY-QDZRJHCZSA-N -1 3 296.334 1.688 20 30 CDEDHM CCN(CC#N)Cc1cc(-c2nnn[n-]2)cnc1Cl ZINC001590680176 1173489627 /nfs/dbraw/zinc/48/96/27/1173489627.db2.gz ZHJWYKIGQMUCCO-UHFFFAOYSA-N -1 3 277.719 1.261 20 30 CDEDHM CCN(CC#N)Cc1cc(-c2nn[n-]n2)cnc1Cl ZINC001590680176 1173489633 /nfs/dbraw/zinc/48/96/33/1173489633.db2.gz ZHJWYKIGQMUCCO-UHFFFAOYSA-N -1 3 277.719 1.261 20 30 CDEDHM CCn1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001590949932 1173546928 /nfs/dbraw/zinc/54/69/28/1173546928.db2.gz QLQFWFQXXRJAQN-YVMONPNESA-N -1 3 294.318 1.979 20 30 CDEDHM CCn1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001590949932 1173546934 /nfs/dbraw/zinc/54/69/34/1173546934.db2.gz QLQFWFQXXRJAQN-YVMONPNESA-N -1 3 294.318 1.979 20 30 CDEDHM CN(C(=O)c1csc(-c2nnn[n-]2)c1)C1(C#N)CCC1 ZINC001590998410 1173561087 /nfs/dbraw/zinc/56/10/87/1173561087.db2.gz MVJNGKPIJKSFBT-UHFFFAOYSA-N -1 3 288.336 1.446 20 30 CDEDHM CN(Cc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCC[C@@H]1C#N ZINC001591150190 1173582823 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Cc1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001592119646 1173805982 /nfs/dbraw/zinc/80/59/82/1173805982.db2.gz XENPKIJLHJBOQR-NSHDSACASA-N -1 3 296.334 1.551 20 30 CDEDHM Cn1cccc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001592584758 1173922791 /nfs/dbraw/zinc/92/27/91/1173922791.db2.gz ZUXGOTSHWFKPNW-UHFFFAOYSA-N -1 3 267.296 1.651 20 30 CDEDHM Cn1cccc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001592584758 1173922801 /nfs/dbraw/zinc/92/28/01/1173922801.db2.gz ZUXGOTSHWFKPNW-UHFFFAOYSA-N -1 3 267.296 1.651 20 30 CDEDHM N#CCCCNC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001592676227 1173965019 /nfs/dbraw/zinc/96/50/19/1173965019.db2.gz HGUQQJQOLKQJNQ-UHFFFAOYSA-N -1 3 277.313 1.353 20 30 CDEDHM N#CCCCNC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001592676227 1173965022 /nfs/dbraw/zinc/96/50/22/1173965022.db2.gz HGUQQJQOLKQJNQ-UHFFFAOYSA-N -1 3 277.313 1.353 20 30 CDEDHM N#Cc1cc(NC(=O)c2nccs2)ccc1-c1nnn[n-]1 ZINC001592690287 1173971873 /nfs/dbraw/zinc/97/18/73/1173971873.db2.gz UQXDHKCWQPJADQ-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM N#Cc1cc(NC(=O)c2nccs2)ccc1-c1nn[n-]n1 ZINC001592690287 1173971878 /nfs/dbraw/zinc/97/18/78/1173971878.db2.gz UQXDHKCWQPJADQ-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM N#Cc1ccc2c(c1)CN(c1ncncc1-c1nnn[n-]1)C2 ZINC001592698421 1173974054 /nfs/dbraw/zinc/97/40/54/1173974054.db2.gz ZQQXSFBYFUDEPV-UHFFFAOYSA-N -1 3 290.290 1.049 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1CCn2ccnc21 ZINC001592698571 1173975197 /nfs/dbraw/zinc/97/51/97/1173975197.db2.gz DBBNISUDBQJMMM-NSHDSACASA-N -1 3 292.306 1.492 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1CCn2ccnc21 ZINC001592698571 1173975204 /nfs/dbraw/zinc/97/52/04/1173975204.db2.gz DBBNISUDBQJMMM-NSHDSACASA-N -1 3 292.306 1.492 20 30 CDEDHM N#Cc1cncc(NCc2ccc(-c3nnn[n-]3)s2)n1 ZINC001592704295 1173977455 /nfs/dbraw/zinc/97/74/55/1173977455.db2.gz GVJFHVRVIMWMJY-UHFFFAOYSA-N -1 3 284.308 1.202 20 30 CDEDHM N#Cc1cncc(CNc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC001592704274 1173979003 /nfs/dbraw/zinc/97/90/03/1173979003.db2.gz GCDUOCDKTWIWGX-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cncc(CNc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC001592704274 1173979005 /nfs/dbraw/zinc/97/90/05/1173979005.db2.gz GCDUOCDKTWIWGX-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1ccnc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592702590 1173979201 /nfs/dbraw/zinc/97/92/01/1173979201.db2.gz OKZAFDLDUXKXNP-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1ccnc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592702590 1173979207 /nfs/dbraw/zinc/97/92/07/1173979207.db2.gz OKZAFDLDUXKXNP-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1nccnc1NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001592710224 1173980597 /nfs/dbraw/zinc/98/05/97/1173980597.db2.gz YDYRRSBIOPSUDB-UHFFFAOYSA-N -1 3 292.306 1.183 20 30 CDEDHM C#CC[C@H](CCOC)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC001602682762 1175350786 /nfs/dbraw/zinc/35/07/86/1175350786.db2.gz FOKFEJGQHHKPTQ-QDZRJHCZSA-N -1 3 277.320 1.895 20 30 CDEDHM C#C[C@H](CC)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001602689431 1175356166 /nfs/dbraw/zinc/35/61/66/1175356166.db2.gz GITNSGODXCXOBD-GFCCVEGCSA-N -1 3 284.323 1.078 20 30 CDEDHM C#C[C@H](CC)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001602689431 1175356174 /nfs/dbraw/zinc/35/61/74/1175356174.db2.gz GITNSGODXCXOBD-GFCCVEGCSA-N -1 3 284.323 1.078 20 30 CDEDHM C#CCC[C@@H](C)OC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001602703446 1175366755 /nfs/dbraw/zinc/36/67/55/1175366755.db2.gz QRQNTUHDWVTTMY-SNVBAGLBSA-N -1 3 285.307 1.529 20 30 CDEDHM C#CCCCCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602711575 1175368312 /nfs/dbraw/zinc/36/83/12/1175368312.db2.gz YGVYOEQRKFTFSH-UHFFFAOYSA-N -1 3 256.313 1.786 20 30 CDEDHM C#CCCCCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602711575 1175368314 /nfs/dbraw/zinc/36/83/14/1175368314.db2.gz YGVYOEQRKFTFSH-UHFFFAOYSA-N -1 3 256.313 1.786 20 30 CDEDHM C#CCN(C)C(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602716588 1175371152 /nfs/dbraw/zinc/37/11/52/1175371152.db2.gz IJYJIZLXQXOZER-UHFFFAOYSA-N -1 3 283.335 1.236 20 30 CDEDHM C#CCN(C)C(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602716588 1175371160 /nfs/dbraw/zinc/37/11/60/1175371160.db2.gz IJYJIZLXQXOZER-UHFFFAOYSA-N -1 3 283.335 1.236 20 30 CDEDHM C#CCN(C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1)C1CC1 ZINC001602713883 1175371652 /nfs/dbraw/zinc/37/16/52/1175371652.db2.gz BOMHDTDRJGETAV-UHFFFAOYSA-N -1 3 296.334 1.805 20 30 CDEDHM C#CCN(C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1)C1CC1 ZINC001602713883 1175371656 /nfs/dbraw/zinc/37/16/56/1175371656.db2.gz BOMHDTDRJGETAV-UHFFFAOYSA-N -1 3 296.334 1.805 20 30 CDEDHM C=CC[C@@H](CO)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001602816470 1175414530 /nfs/dbraw/zinc/41/45/30/1175414530.db2.gz OHAGGWMVORIMNU-LBPRGKRZSA-N -1 3 296.334 1.764 20 30 CDEDHM C=CC[C@@H](CO)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001602816470 1175414536 /nfs/dbraw/zinc/41/45/36/1175414536.db2.gz OHAGGWMVORIMNU-LBPRGKRZSA-N -1 3 296.334 1.764 20 30 CDEDHM C=CCCN(C)c1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC001602841364 1175427115 /nfs/dbraw/zinc/42/71/15/1175427115.db2.gz VQDZFPSUNHVLOW-UHFFFAOYSA-N -1 3 270.340 1.763 20 30 CDEDHM C=CCCN(C)c1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001602841364 1175427121 /nfs/dbraw/zinc/42/71/21/1175427121.db2.gz VQDZFPSUNHVLOW-UHFFFAOYSA-N -1 3 270.340 1.763 20 30 CDEDHM CC(=NOC[C@@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC001602911350 1175449356 /nfs/dbraw/zinc/44/93/56/1175449356.db2.gz CHEUCPWVDPDJBN-LLVKDONJSA-N -1 3 287.323 1.644 20 30 CDEDHM CC(=NOC[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC001602911350 1175449357 /nfs/dbraw/zinc/44/93/57/1175449357.db2.gz CHEUCPWVDPDJBN-LLVKDONJSA-N -1 3 287.323 1.644 20 30 CDEDHM Cn1c(C(=O)OCC2(C#N)CCC2)ccc1-c1nnn[n-]1 ZINC001606214252 1163814706 /nfs/dbraw/zinc/81/47/06/1163814706.db2.gz MSROUKJKKVLYDK-UHFFFAOYSA-N -1 3 286.295 1.056 20 30 CDEDHM Cn1c(C(=O)OCC2(C#N)CCC2)ccc1-c1nn[n-]n1 ZINC001606214252 1163814714 /nfs/dbraw/zinc/81/47/14/1163814714.db2.gz MSROUKJKKVLYDK-UHFFFAOYSA-N -1 3 286.295 1.056 20 30 CDEDHM C#CCN(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001609020765 1164728694 /nfs/dbraw/zinc/72/86/94/1164728694.db2.gz HBOXMBURFJFFQQ-UHFFFAOYSA-N -1 3 287.348 1.050 20 30 CDEDHM C#CCN(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001609020765 1164728695 /nfs/dbraw/zinc/72/86/95/1164728695.db2.gz HBOXMBURFJFFQQ-UHFFFAOYSA-N -1 3 287.348 1.050 20 30 CDEDHM C=C(CC)CNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001609051479 1164743488 /nfs/dbraw/zinc/74/34/88/1164743488.db2.gz BUEHVGCJMJRNBL-UHFFFAOYSA-N -1 3 292.730 1.611 20 30 CDEDHM C=C(CC)CNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001609051479 1164743491 /nfs/dbraw/zinc/74/34/91/1164743491.db2.gz BUEHVGCJMJRNBL-UHFFFAOYSA-N -1 3 292.730 1.611 20 30 CDEDHM C[C@@H](CC#N)NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609108654 1164774296 /nfs/dbraw/zinc/77/42/96/1164774296.db2.gz SWXPENQCIJLQFT-ZETCQYMHSA-N -1 3 289.274 1.429 20 30 CDEDHM C[C@@H](CC#N)NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609108654 1164774303 /nfs/dbraw/zinc/77/43/03/1164774303.db2.gz SWXPENQCIJLQFT-ZETCQYMHSA-N -1 3 289.274 1.429 20 30 CDEDHM CCN(CCC#N)C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609223910 1164855628 /nfs/dbraw/zinc/85/56/28/1164855628.db2.gz SYZVCMGCSAVNQR-UHFFFAOYSA-N -1 3 288.286 1.382 20 30 CDEDHM CCN(CCC#N)C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609223910 1164855632 /nfs/dbraw/zinc/85/56/32/1164855632.db2.gz SYZVCMGCSAVNQR-UHFFFAOYSA-N -1 3 288.286 1.382 20 30 CDEDHM C=CCO[N-]C(=O)Cc1c(C)nn(COCC)c1C ZINC000868763949 1164990212 /nfs/dbraw/zinc/99/02/12/1164990212.db2.gz UCNBBDABPROPFQ-UHFFFAOYSA-N -1 3 267.329 1.270 20 30 CDEDHM C=C(C)C[C@@H](N=c1ncnc2[nH][n-]cc1-2)C(=O)OCC ZINC000882868681 796458410 /nfs/dbraw/zinc/45/84/10/796458410.db2.gz UYCOYXBBIDXLBA-SNVBAGLBSA-N -1 3 275.312 1.036 20 30 CDEDHM CCCC[C@@](C)(F)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000854649005 796802748 /nfs/dbraw/zinc/80/27/48/796802748.db2.gz OCFIJSBCGUCXOC-BXKDBHETSA-N -1 3 260.309 1.401 20 30 CDEDHM COc1cc(C=NNCC(C)(C)CO)c([N+](=O)[O-])cc1[O-] ZINC000799114489 796809065 /nfs/dbraw/zinc/80/90/65/796809065.db2.gz DPBLAMJPPHEOEK-UHFFFAOYSA-N -1 3 297.311 1.251 20 30 CDEDHM N#CCN1CC2(C1)CCN(C(=O)c1ccccc1[O-])CC2 ZINC001035657109 796851195 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280.299 1.620 20 30 CDEDHM C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001332590842 957631166 /nfs/dbraw/zinc/63/11/66/957631166.db2.gz OITATOZKQOQPRL-QWHCGFSZSA-N -1 3 294.395 1.644 20 30 CDEDHM C=CC[C@@H]([N-]S(=O)(=O)C[C@H](C)CCC)C(=O)OCC ZINC001320264861 959038078 /nfs/dbraw/zinc/03/80/78/959038078.db2.gz CQDAFKVDAHJIMI-VXGBXAGGSA-N -1 3 291.413 1.850 20 30 CDEDHM Cc1ccc(F)c2c1NC(=O)C2=N[N-]c1ccn(C)n1 ZINC001320696322 959335532 /nfs/dbraw/zinc/33/55/32/959335532.db2.gz NRXPLIQQDHUIHP-UHFFFAOYSA-N -1 3 273.271 1.636 20 30 CDEDHM C=C[C@H](COC)N/C=C1\c2ccccc2C(=O)[N-]C1=O ZINC001321239678 959671567 /nfs/dbraw/zinc/67/15/67/959671567.db2.gz NEQJPNCOLWEVKW-SEEODLKFSA-N -1 3 272.304 1.088 20 30 CDEDHM C=CCO[C@@H]1CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC001331263102 961371272 /nfs/dbraw/zinc/37/12/72/961371272.db2.gz VFJCWPLXGYEPOU-SNVBAGLBSA-N -1 3 251.282 1.755 20 30 CDEDHM C=C[C@@H](NCc1ccc(OC)cc1OC)C(=O)[O-] ZINC000302291045 963070702 /nfs/dbraw/zinc/07/07/02/963070702.db2.gz 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298.306 1.605 20 30 CDEDHM Cc1cc(CON=C(N)c2ccco2)ccc1-c1nn[n-]n1 ZINC001605666698 1163639770 /nfs/dbraw/zinc/63/97/70/1163639770.db2.gz IBRGCIOEXXAANU-UHFFFAOYSA-N -1 3 298.306 1.605 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](C#N)C2)n1 ZINC001605766342 1163664003 /nfs/dbraw/zinc/66/40/03/1163664003.db2.gz YUYNJXMQBIPBOB-JTQLQIEISA-N -1 3 269.312 1.310 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](C#N)C2)n1 ZINC001605766342 1163664007 /nfs/dbraw/zinc/66/40/07/1163664007.db2.gz YUYNJXMQBIPBOB-JTQLQIEISA-N -1 3 269.312 1.310 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)NCCCC#N ZINC001605792361 1163672132 /nfs/dbraw/zinc/67/21/32/1163672132.db2.gz OPEYKYSCYPMQGV-UHFFFAOYSA-N -1 3 270.296 1.209 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)NCCCC#N ZINC001605792361 1163672134 /nfs/dbraw/zinc/67/21/34/1163672134.db2.gz OPEYKYSCYPMQGV-UHFFFAOYSA-N -1 3 270.296 1.209 20 30 CDEDHM Cn1c(C#N)ccc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001606208637 1163809199 /nfs/dbraw/zinc/80/91/99/1163809199.db2.gz 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ZINC001609148788 1164797945 /nfs/dbraw/zinc/79/79/45/1164797945.db2.gz MLTOYTIAAQQZHE-UHFFFAOYSA-N -1 3 256.313 1.742 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001609182923 1164822448 /nfs/dbraw/zinc/82/24/48/1164822448.db2.gz PUWZIEURRKKETM-HNNXBMFYSA-N -1 3 298.350 1.608 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001609182923 1164822456 /nfs/dbraw/zinc/82/24/56/1164822456.db2.gz PUWZIEURRKKETM-HNNXBMFYSA-N -1 3 298.350 1.608 20 30 CDEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1nnc2ccccc2c1[O-] ZINC000122182589 1164954154 /nfs/dbraw/zinc/95/41/54/1164954154.db2.gz RBYWZDAXDVEUKF-LLVKDONJSA-N -1 3 284.319 1.591 20 30 CDEDHM Cc1nnc(N2CCC(C#N)CC2)c(-c2nnn[n-]2)c1C ZINC001609461206 1164959865 /nfs/dbraw/zinc/95/98/65/1164959865.db2.gz RSSZDTRZZOFAOJ-UHFFFAOYSA-N -1 3 284.327 1.014 20 30 CDEDHM Cc1nnc(N2CCC(C#N)CC2)c(-c2nn[n-]n2)c1C ZINC001609461206 1164959868 /nfs/dbraw/zinc/95/98/68/1164959868.db2.gz RSSZDTRZZOFAOJ-UHFFFAOYSA-N -1 3 284.327 1.014 20 30 CDEDHM O=Cc1ccc(/C=C/C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000868562449 1164962270 /nfs/dbraw/zinc/96/22/70/1164962270.db2.gz FPSNALCORULNAP-GWJCSSMESA-N -1 3 288.303 1.009 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1([C@@H]2CCCCO2)CCC1 ZINC000868563048 1164963812 /nfs/dbraw/zinc/96/38/12/1164963812.db2.gz OUGYCUHBINDKPT-RYUDHWBXSA-N -1 3 296.367 1.222 20 30 CDEDHM N#CCCCC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609494369 1164975685 /nfs/dbraw/zinc/97/56/85/1164975685.db2.gz BXVMWRFQFCGTJU-UHFFFAOYSA-N -1 3 299.290 1.286 20 30 CDEDHM N#CCCCC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609494369 1164975690 /nfs/dbraw/zinc/97/56/90/1164975690.db2.gz BXVMWRFQFCGTJU-UHFFFAOYSA-N -1 3 299.290 1.286 20 30 CDEDHM C=C(C)CN(CC)S(=O)(=O)c1ccc([O-])cc1 ZINC000034959684 1165606183 /nfs/dbraw/zinc/60/61/83/1165606183.db2.gz RYQGUUKFYIWGQH-UHFFFAOYSA-N -1 3 255.339 1.979 20 30 CDEDHM Cc1cocc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001581373789 1172606542 /nfs/dbraw/zinc/60/65/42/1172606542.db2.gz FXDUUKHNCRIKET-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1cocc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001581373789 1172606545 /nfs/dbraw/zinc/60/65/45/1172606545.db2.gz FXDUUKHNCRIKET-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588327713 1173027347 /nfs/dbraw/zinc/02/73/47/1173027347.db2.gz PJADHGGUAKXKHA-ZDUSSCGKSA-N -1 3 298.350 1.468 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588327713 1173027353 /nfs/dbraw/zinc/02/73/53/1173027353.db2.gz PJADHGGUAKXKHA-ZDUSSCGKSA-N -1 3 298.350 1.468 20 30 CDEDHM C#C[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588326980 1173029059 /nfs/dbraw/zinc/02/90/59/1173029059.db2.gz ZKMZDWXYBMKAOW-SSDOTTSWSA-N -1 3 276.683 1.699 20 30 CDEDHM C#C[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588326980 1173029065 /nfs/dbraw/zinc/02/90/65/1173029065.db2.gz ZKMZDWXYBMKAOW-SSDOTTSWSA-N -1 3 276.683 1.699 20 30 CDEDHM C#C[C@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)[C@H]1CCCO1 ZINC001588329184 1173030437 /nfs/dbraw/zinc/03/04/37/1173030437.db2.gz ZXRSMBSXSWLFQH-NWDGAFQWSA-N -1 3 284.323 1.163 20 30 CDEDHM C#C[C@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)[C@H]1CCCO1 ZINC001588329184 1173030445 /nfs/dbraw/zinc/03/04/45/1173030445.db2.gz ZXRSMBSXSWLFQH-NWDGAFQWSA-N -1 3 284.323 1.163 20 30 CDEDHM C#CCC1(NC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588335233 1173039201 /nfs/dbraw/zinc/03/92/01/1173039201.db2.gz DLLODQVFTNUDKY-UHFFFAOYSA-N -1 3 281.319 1.543 20 30 CDEDHM C#CCC1(NC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588335233 1173039210 /nfs/dbraw/zinc/03/92/10/1173039210.db2.gz DLLODQVFTNUDKY-UHFFFAOYSA-N -1 3 281.319 1.543 20 30 CDEDHM C#CCCC[C@@H](C)OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588342269 1173044347 /nfs/dbraw/zinc/04/43/47/1173044347.db2.gz WUMITBYZNPLMFD-LLVKDONJSA-N -1 3 299.334 1.919 20 30 CDEDHM C#CCCC[C@@H](C)OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588342269 1173044352 /nfs/dbraw/zinc/04/43/52/1173044352.db2.gz WUMITBYZNPLMFD-LLVKDONJSA-N -1 3 299.334 1.919 20 30 CDEDHM C#CC[C@@H]1CCCN(c2nccc(C)c2-c2nnn[n-]2)C1 ZINC001588337490 1173045228 /nfs/dbraw/zinc/04/52/28/1173045228.db2.gz QQTPEUXJOUJYCG-GFCCVEGCSA-N -1 3 282.351 1.810 20 30 CDEDHM C#CC[C@@H]1CCCN(c2nccc(C)c2-c2nn[n-]n2)C1 ZINC001588337490 1173045237 /nfs/dbraw/zinc/04/52/37/1173045237.db2.gz QQTPEUXJOUJYCG-GFCCVEGCSA-N -1 3 282.351 1.810 20 30 CDEDHM C#CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)C(C)(C)C ZINC001588348543 1173045782 /nfs/dbraw/zinc/04/57/82/1173045782.db2.gz ASLNKJAFZPYDFZ-UHFFFAOYSA-N -1 3 289.364 1.802 20 30 CDEDHM C#CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)C(C)(C)C ZINC001588348543 1173045790 /nfs/dbraw/zinc/04/57/90/1173045790.db2.gz ASLNKJAFZPYDFZ-UHFFFAOYSA-N -1 3 289.364 1.802 20 30 CDEDHM c1cc(-c2nnn[n-]2)ccc1N=NC[C@@H]1CCOC1 ZINC001588381651 1173055836 /nfs/dbraw/zinc/05/58/36/1173055836.db2.gz NLSCQSRUBGQQDW-VIFPVBQESA-N -1 3 258.285 1.301 20 30 CDEDHM c1cc(-c2nn[n-]n2)ccc1N=NC[C@@H]1CCOC1 ZINC001588381651 1173055840 /nfs/dbraw/zinc/05/58/40/1173055840.db2.gz NLSCQSRUBGQQDW-VIFPVBQESA-N -1 3 258.285 1.301 20 30 CDEDHM C=C(C)CCC(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001588419789 1173061580 /nfs/dbraw/zinc/06/15/80/1173061580.db2.gz TUEJCVVJPTXAMR-UHFFFAOYSA-N -1 3 288.311 1.565 20 30 CDEDHM C=CC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001588539346 1173077038 /nfs/dbraw/zinc/07/70/38/1173077038.db2.gz HTFJWBOPXPDAHC-QMMMGPOBSA-N -1 3 259.269 1.383 20 30 CDEDHM C=CC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001588539346 1173077045 /nfs/dbraw/zinc/07/70/45/1173077045.db2.gz HTFJWBOPXPDAHC-QMMMGPOBSA-N -1 3 259.269 1.383 20 30 CDEDHM C=CCN(C(=O)c1cc(C)c(-c2nnn[n-]2)cn1)C1CC1 ZINC001588625587 1173091064 /nfs/dbraw/zinc/09/10/64/1173091064.db2.gz LGIGYGCZJUPWIO-UHFFFAOYSA-N -1 3 284.323 1.361 20 30 CDEDHM C=CCN(C(=O)c1cc(C)c(-c2nn[n-]n2)cn1)C1CC1 ZINC001588625587 1173091069 /nfs/dbraw/zinc/09/10/69/1173091069.db2.gz LGIGYGCZJUPWIO-UHFFFAOYSA-N -1 3 284.323 1.361 20 30 CDEDHM C=CCOCCCNC(=O)c1sccc1-c1nnn[n-]1 ZINC001588682929 1173097237 /nfs/dbraw/zinc/09/72/37/1173097237.db2.gz 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/nfs/dbraw/zinc/12/04/71/1173120471.db2.gz XTABTEAKXDHMSO-UHFFFAOYSA-N -1 3 271.280 1.460 20 30 CDEDHM CC(C)(C#N)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC001589034342 1173120475 /nfs/dbraw/zinc/12/04/75/1173120475.db2.gz XTABTEAKXDHMSO-UHFFFAOYSA-N -1 3 271.280 1.460 20 30 CDEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1C#N ZINC001589258015 1173131732 /nfs/dbraw/zinc/13/17/32/1173131732.db2.gz SROJDTMEOKSNAB-PSASIEDQSA-N -1 3 299.338 1.521 20 30 CDEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1C#N ZINC001589258015 1173131733 /nfs/dbraw/zinc/13/17/33/1173131733.db2.gz SROJDTMEOKSNAB-PSASIEDQSA-N -1 3 299.338 1.521 20 30 CDEDHM CC(C)CN(CCC#N)Cc1cncc(-c2nnn[n-]2)c1 ZINC001589618426 1173163855 /nfs/dbraw/zinc/16/38/55/1173163855.db2.gz HVEDOOXAUAQUKU-UHFFFAOYSA-N -1 3 285.355 1.633 20 30 CDEDHM CC(C)CN(CCC#N)Cc1cncc(-c2nn[n-]n2)c1 ZINC001589618426 1173163861 /nfs/dbraw/zinc/16/38/61/1173163861.db2.gz HVEDOOXAUAQUKU-UHFFFAOYSA-N -1 3 285.355 1.633 20 30 CDEDHM CC(F)(F)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589909437 1173200372 /nfs/dbraw/zinc/20/03/72/1173200372.db2.gz ZHZWOAFHFNGZBG-UHFFFAOYSA-N -1 3 264.239 1.805 20 30 CDEDHM CC(F)(F)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589909437 1173200380 /nfs/dbraw/zinc/20/03/80/1173200380.db2.gz ZHZWOAFHFNGZBG-UHFFFAOYSA-N -1 3 264.239 1.805 20 30 CDEDHM C[C@@H](O)C(C)(C)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589993453 1173223826 /nfs/dbraw/zinc/22/38/26/1173223826.db2.gz WNHALSVXMDPLJL-SECBINFHSA-N -1 3 286.339 1.557 20 30 CDEDHM C[C@@H](O)C(C)(C)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589993453 1173223833 /nfs/dbraw/zinc/22/38/33/1173223833.db2.gz WNHALSVXMDPLJL-SECBINFHSA-N -1 3 286.339 1.557 20 30 CDEDHM C[C@@H]1C[C@H](CO)CN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590193438 1173286671 /nfs/dbraw/zinc/28/66/71/1173286671.db2.gz PYLQADRSZIGWAA-MNOVXSKESA-N -1 3 298.350 1.193 20 30 CDEDHM C[C@@H]1C[C@H](CO)CN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590193438 1173286675 /nfs/dbraw/zinc/28/66/75/1173286675.db2.gz PYLQADRSZIGWAA-MNOVXSKESA-N -1 3 298.350 1.193 20 30 CDEDHM CC[C@@H](C#N)OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590367721 1173378457 /nfs/dbraw/zinc/37/84/57/1173378457.db2.gz IQWPPJJMOVUMTI-NSHDSACASA-N -1 3 271.280 1.255 20 30 CDEDHM CC[C@@H](C#N)OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590367721 1173378465 /nfs/dbraw/zinc/37/84/65/1173378465.db2.gz IQWPPJJMOVUMTI-NSHDSACASA-N -1 3 271.280 1.255 20 30 CDEDHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C#N)CC ZINC001590834228 1173525077 /nfs/dbraw/zinc/52/50/77/1173525077.db2.gz XTFPTHJFIXWKLY-JTQLQIEISA-N -1 3 272.312 1.979 20 30 CDEDHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C#N)CC ZINC001590834228 1173525083 /nfs/dbraw/zinc/52/50/83/1173525083.db2.gz XTFPTHJFIXWKLY-JTQLQIEISA-N -1 3 272.312 1.979 20 30 CDEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCC#N ZINC001591140974 1173578526 /nfs/dbraw/zinc/57/85/26/1173578526.db2.gz BJLAEPIKDWRKGJ-UHFFFAOYSA-N -1 3 284.323 1.519 20 30 CDEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCC#N ZINC001591140974 1173578529 /nfs/dbraw/zinc/57/85/29/1173578529.db2.gz BJLAEPIKDWRKGJ-UHFFFAOYSA-N -1 3 284.323 1.519 20 30 CDEDHM Cc1c(C(=O)NCC2(CC#N)CC2)cccc1-c1nnn[n-]1 ZINC001591806884 1173706254 /nfs/dbraw/zinc/70/62/54/1173706254.db2.gz WNQKDOFSWBDJTM-UHFFFAOYSA-N -1 3 296.334 1.599 20 30 CDEDHM Cc1c(C(=O)NCC2(CC#N)CC2)cccc1-c1nn[n-]n1 ZINC001591806884 1173706258 /nfs/dbraw/zinc/70/62/58/1173706258.db2.gz WNQKDOFSWBDJTM-UHFFFAOYSA-N -1 3 296.334 1.599 20 30 CDEDHM Cc1c(Cl)cnc(N2CC(C)(C#N)C2)c1-c1nnn[n-]1 ZINC001591820895 1173709758 /nfs/dbraw/zinc/70/97/58/1173709758.db2.gz ZQRIIGBUDWQOEE-UHFFFAOYSA-N -1 3 289.730 1.573 20 30 CDEDHM Cc1c(Cl)cnc(N2CC(C)(C#N)C2)c1-c1nn[n-]n1 ZINC001591820895 1173709765 /nfs/dbraw/zinc/70/97/65/1173709765.db2.gz ZQRIIGBUDWQOEE-UHFFFAOYSA-N -1 3 289.730 1.573 20 30 CDEDHM Cc1cc(OC(=O)[C@@H]2C[C@@H]2C#N)ccc1-c1nnn[n-]1 ZINC001592055817 1173788514 /nfs/dbraw/zinc/78/85/14/1173788514.db2.gz FNRMSECONOUIJU-LDYMZIIASA-N -1 3 269.264 1.240 20 30 CDEDHM Cc1cc(OC(=O)[C@@H]2C[C@@H]2C#N)ccc1-c1nn[n-]n1 ZINC001592055817 1173788521 /nfs/dbraw/zinc/78/85/21/1173788521.db2.gz FNRMSECONOUIJU-LDYMZIIASA-N -1 3 269.264 1.240 20 30 CDEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(OCC#N)c2c1 ZINC001592208778 1173834512 /nfs/dbraw/zinc/83/45/12/1173834512.db2.gz MBTAKORZMKXAIQ-UHFFFAOYSA-N -1 3 266.264 1.626 20 30 CDEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(OCC#N)c2c1 ZINC001592208778 1173834519 /nfs/dbraw/zinc/83/45/19/1173834519.db2.gz MBTAKORZMKXAIQ-UHFFFAOYSA-N -1 3 266.264 1.626 20 30 CDEDHM N#CC1(CNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001592668244 1173960019 /nfs/dbraw/zinc/96/00/19/1173960019.db2.gz IKZDSPCZLGEGIV-UHFFFAOYSA-N -1 3 282.307 1.290 20 30 CDEDHM N#CC1(CNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001592668244 1173960032 /nfs/dbraw/zinc/96/00/32/1173960032.db2.gz IKZDSPCZLGEGIV-UHFFFAOYSA-N -1 3 282.307 1.290 20 30 CDEDHM N#C[C@H]1CC[C@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592672901 1173963849 /nfs/dbraw/zinc/96/38/49/1173963849.db2.gz 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CDEDHM C=C[C@@H]1OCCC[C@H]1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000840725101 936958972 /nfs/dbraw/zinc/95/89/72/936958972.db2.gz DBWXOQFORRNQON-XGWPRKDGSA-N -1 3 298.342 1.621 20 30 CDEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198253877 925378757 /nfs/dbraw/zinc/37/87/57/925378757.db2.gz WQURRFWNQYKTAI-MRVPVSSYSA-N -1 3 273.745 1.706 20 30 CDEDHM N#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001085209077 925802049 /nfs/dbraw/zinc/80/20/49/925802049.db2.gz VKRYHMBZBKBADJ-VXGBXAGGSA-N -1 3 298.350 1.112 20 30 CDEDHM C[C@@H](CCCNc1ccc(C#N)cn1)NC(=O)c1cn[n-]n1 ZINC001115114645 937326366 /nfs/dbraw/zinc/32/63/66/937326366.db2.gz MNKJNZHVCSZUKI-JTQLQIEISA-N -1 3 299.338 1.082 20 30 CDEDHM COc1cc(C=NN[C@H]2CCOC2)cc(Cl)c1[O-] ZINC000788440251 929519405 /nfs/dbraw/zinc/51/94/05/929519405.db2.gz RMNXPTLMQREFIV-VIFPVBQESA-N -1 3 270.716 1.767 20 30 CDEDHM CCCOc1cccc(C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000816760349 930361170 /nfs/dbraw/zinc/36/11/70/930361170.db2.gz 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N#CC[C@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001606346167 1163870697 /nfs/dbraw/zinc/87/06/97/1163870697.db2.gz XHFYTMTWUAYBLK-JTQLQIEISA-N -1 3 272.268 1.044 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@](O)(C2CC2)C1 ZINC001606381969 1163885729 /nfs/dbraw/zinc/88/57/29/1163885729.db2.gz WTFCFZAJECQTQQ-HNNXBMFYSA-N -1 3 296.334 1.090 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@](O)(C2CC2)C1 ZINC001606381969 1163885732 /nfs/dbraw/zinc/88/57/32/1163885732.db2.gz WTFCFZAJECQTQQ-HNNXBMFYSA-N -1 3 296.334 1.090 20 30 CDEDHM O=C(CON=CC1CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001606569609 1163930114 /nfs/dbraw/zinc/93/01/14/1163930114.db2.gz MVOGKWXIUDMBNL-UHFFFAOYSA-N -1 3 286.295 1.218 20 30 CDEDHM O=C(CON=CC1CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001606569609 1163930118 /nfs/dbraw/zinc/93/01/18/1163930118.db2.gz MVOGKWXIUDMBNL-UHFFFAOYSA-N -1 3 286.295 1.218 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609018912 1164725121 /nfs/dbraw/zinc/72/51/21/1164725121.db2.gz IZXHDVGINDEXFM-ZDUSSCGKSA-N -1 3 283.335 1.327 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609018912 1164725129 /nfs/dbraw/zinc/72/51/29/1164725129.db2.gz IZXHDVGINDEXFM-ZDUSSCGKSA-N -1 3 283.335 1.327 20 30 CDEDHM C=CCO[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001609058692 1164752518 /nfs/dbraw/zinc/75/25/18/1164752518.db2.gz OMFTYPMUFOFFKA-NSHDSACASA-N -1 3 272.312 1.043 20 30 CDEDHM C=CCO[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001609058692 1164752525 /nfs/dbraw/zinc/75/25/25/1164752525.db2.gz OMFTYPMUFOFFKA-NSHDSACASA-N -1 3 272.312 1.043 20 30 CDEDHM C[C@H](CC#N)NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609108653 1164774752 /nfs/dbraw/zinc/77/47/52/1164774752.db2.gz SWXPENQCIJLQFT-SSDOTTSWSA-N -1 3 289.274 1.429 20 30 CDEDHM C[C@H](CC#N)NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609108653 1164774759 /nfs/dbraw/zinc/77/47/59/1164774759.db2.gz SWXPENQCIJLQFT-SSDOTTSWSA-N -1 3 289.274 1.429 20 30 CDEDHM CCN(CCC#N)C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609223952 1164853550 /nfs/dbraw/zinc/85/35/50/1164853550.db2.gz VWPZDWBCZCNISJ-UHFFFAOYSA-N -1 3 284.323 1.551 20 30 CDEDHM CCN(CCC#N)C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609223952 1164853555 /nfs/dbraw/zinc/85/35/55/1164853555.db2.gz VWPZDWBCZCNISJ-UHFFFAOYSA-N -1 3 284.323 1.551 20 30 CDEDHM CN(C[C@H]1CCC[C@H]1O)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001609273982 1164878416 /nfs/dbraw/zinc/87/84/16/1164878416.db2.gz NKPQKRFLXFGOEY-DGCLKSJQSA-N -1 3 298.350 1.336 20 30 CDEDHM CN(C[C@H]1CCC[C@H]1O)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001609273982 1164878424 /nfs/dbraw/zinc/87/84/24/1164878424.db2.gz NKPQKRFLXFGOEY-DGCLKSJQSA-N -1 3 298.350 1.336 20 30 CDEDHM N#Cc1cnnc(N2Cc3cccc(-c4nnn[n-]4)c3C2)c1 ZINC001581883490 1172626252 /nfs/dbraw/zinc/62/62/52/1172626252.db2.gz LIIWWZHMPVQGKM-UHFFFAOYSA-N -1 3 290.290 1.049 20 30 CDEDHM N#Cc1cnnc(N2Cc3cccc(-c4nn[n-]n4)c3C2)c1 ZINC001581883490 1172626255 /nfs/dbraw/zinc/62/62/55/1172626255.db2.gz LIIWWZHMPVQGKM-UHFFFAOYSA-N -1 3 290.290 1.049 20 30 CDEDHM C#C[C@@H](C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588326932 1173028360 /nfs/dbraw/zinc/02/83/60/1173028360.db2.gz YIOYNTJCIVCIIO-AAXQSMANSA-N -1 3 267.292 1.018 20 30 CDEDHM C#C[C@@H](C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588326932 1173028364 /nfs/dbraw/zinc/02/83/64/1173028364.db2.gz YIOYNTJCIVCIIO-AAXQSMANSA-N -1 3 267.292 1.018 20 30 CDEDHM C#C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001588332002 1173034018 /nfs/dbraw/zinc/03/40/18/1173034018.db2.gz FEYJTDGQVSQEQN-SNVBAGLBSA-N -1 3 298.306 1.625 20 30 CDEDHM C#C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001588332002 1173034028 /nfs/dbraw/zinc/03/40/28/1173034028.db2.gz FEYJTDGQVSQEQN-SNVBAGLBSA-N -1 3 298.306 1.625 20 30 CDEDHM C#CCN(C(=O)c1csc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588349045 1173046693 /nfs/dbraw/zinc/04/66/93/1173046693.db2.gz ZZTMJXHIZUQZRL-UHFFFAOYSA-N -1 3 289.364 1.802 20 30 CDEDHM C#CCCCCCOC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588345979 1173047102 /nfs/dbraw/zinc/04/71/02/1173047102.db2.gz RQAFWLIWTIMJEO-UHFFFAOYSA-N -1 3 299.334 1.921 20 30 CDEDHM C#CCCCCCOC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588345979 1173047110 /nfs/dbraw/zinc/04/71/10/1173047110.db2.gz RQAFWLIWTIMJEO-UHFFFAOYSA-N -1 3 299.334 1.921 20 30 CDEDHM C#CCN(CC#C)Cc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588349349 1173051639 /nfs/dbraw/zinc/05/16/39/1173051639.db2.gz ARGOSTREYGPJPQ-UHFFFAOYSA-N -1 3 285.738 1.589 20 30 CDEDHM C#CCN(CC#C)Cc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588349349 1173051644 /nfs/dbraw/zinc/05/16/44/1173051644.db2.gz ARGOSTREYGPJPQ-UHFFFAOYSA-N -1 3 285.738 1.589 20 30 CDEDHM C(=NNc1cncnc1)c1ccc(-c2nnn[n-]2)s1 ZINC001588381465 1173057270 /nfs/dbraw/zinc/05/72/70/1173057270.db2.gz DBJQQAWDLIWUHO-UHFFFAOYSA-N -1 3 272.297 1.164 20 30 CDEDHM C=C[C@H](C)NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001588516045 1173072606 /nfs/dbraw/zinc/07/26/06/1173072606.db2.gz OXODWFBCQCJGPR-QMMMGPOBSA-N -1 3 282.307 1.652 20 30 CDEDHM C=C[C@H](C)NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001588516045 1173072611 /nfs/dbraw/zinc/07/26/11/1173072611.db2.gz OXODWFBCQCJGPR-QMMMGPOBSA-N -1 3 282.307 1.652 20 30 CDEDHM C=C[C@H](COC)Nc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001588525405 1173073125 /nfs/dbraw/zinc/07/31/25/1173073125.db2.gz HBZFGFDCDDURJO-SNVBAGLBSA-N -1 3 297.322 1.423 20 30 CDEDHM C=C[C@H](COC)Nc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001588525405 1173073130 /nfs/dbraw/zinc/07/31/30/1173073130.db2.gz HBZFGFDCDDURJO-SNVBAGLBSA-N -1 3 297.322 1.423 20 30 CDEDHM C=CCN(CCC#N)c1nccc(C)c1-c1nnn[n-]1 ZINC001588632538 1173092513 /nfs/dbraw/zinc/09/25/13/1173092513.db2.gz VGAIEPCJFLIGFF-UHFFFAOYSA-N -1 3 269.312 1.476 20 30 CDEDHM C=CCN(CCC#N)c1nccc(C)c1-c1nn[n-]n1 ZINC001588632538 1173092517 /nfs/dbraw/zinc/09/25/17/1173092517.db2.gz VGAIEPCJFLIGFF-UHFFFAOYSA-N -1 3 269.312 1.476 20 30 CDEDHM C=CCN(CC=C)C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588631951 1173093881 /nfs/dbraw/zinc/09/38/81/1173093881.db2.gz OVBMZJZINUKBIZ-UHFFFAOYSA-N -1 3 299.338 1.776 20 30 CDEDHM C=CCN(CC=C)C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588631951 1173093884 /nfs/dbraw/zinc/09/38/84/1173093884.db2.gz OVBMZJZINUKBIZ-UHFFFAOYSA-N -1 3 299.338 1.776 20 30 CDEDHM CC(C)OCCON=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001589748638 1173173209 /nfs/dbraw/zinc/17/32/09/1173173209.db2.gz HIRKOROBDJQGRV-UHFFFAOYSA-N -1 3 293.302 1.781 20 30 CDEDHM CC(C)OCCON=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001589748638 1173173212 /nfs/dbraw/zinc/17/32/12/1173173212.db2.gz HIRKOROBDJQGRV-UHFFFAOYSA-N -1 3 293.302 1.781 20 30 CDEDHM C[C@@H](CC#N)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001589788459 1173180868 /nfs/dbraw/zinc/18/08/68/1173180868.db2.gz WMCHQFVKKNHPCV-QMMMGPOBSA-N -1 3 288.286 1.172 20 30 CDEDHM C[C@@H](CC#N)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001589788459 1173180874 /nfs/dbraw/zinc/18/08/74/1173180874.db2.gz WMCHQFVKKNHPCV-QMMMGPOBSA-N -1 3 288.286 1.172 20 30 CDEDHM C[C@]1(CO)CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590135934 1173269355 /nfs/dbraw/zinc/26/93/55/1173269355.db2.gz OQCUBODWGMFDBS-HNNXBMFYSA-N -1 3 298.350 1.337 20 30 CDEDHM C[C@]1(CO)CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590135934 1173269365 /nfs/dbraw/zinc/26/93/65/1173269365.db2.gz OQCUBODWGMFDBS-HNNXBMFYSA-N -1 3 298.350 1.337 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001590682785 1173490619 /nfs/dbraw/zinc/49/06/19/1173490619.db2.gz OLJCDHOFWUTNEF-QMMMGPOBSA-N -1 3 287.327 1.125 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001590682785 1173490625 /nfs/dbraw/zinc/49/06/25/1173490625.db2.gz OLJCDHOFWUTNEF-QMMMGPOBSA-N -1 3 287.327 1.125 20 30 CDEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)C#N ZINC001591140987 1173578655 /nfs/dbraw/zinc/57/86/55/1173578655.db2.gz BWKXJMAWBJJITP-UHFFFAOYSA-N -1 3 284.323 1.375 20 30 CDEDHM CN(Cc1cnn(C)c1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591151221 1173580763 /nfs/dbraw/zinc/58/07/63/1173580763.db2.gz HZEFAQVIKJBRIY-UHFFFAOYSA-N -1 3 294.322 1.108 20 30 CDEDHM CN(Cc1cnn(C)c1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591151221 1173580768 /nfs/dbraw/zinc/58/07/68/1173580768.db2.gz HZEFAQVIKJBRIY-UHFFFAOYSA-N -1 3 294.322 1.108 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1OCCO[C@@H](C)C#N ZINC001591501803 1173663937 /nfs/dbraw/zinc/66/39/37/1173663937.db2.gz KEYWYXJLSUMMMV-VIFPVBQESA-N -1 3 289.295 1.183 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1OCCO[C@@H](C)C#N ZINC001591501803 1173663943 /nfs/dbraw/zinc/66/39/43/1173663943.db2.gz KEYWYXJLSUMMMV-VIFPVBQESA-N -1 3 289.295 1.183 20 30 CDEDHM Cc1c(C(=O)N2CC[C@@](C)(C#N)C2)cccc1-c1nnn[n-]1 ZINC001591803011 1173706044 /nfs/dbraw/zinc/70/60/44/1173706044.db2.gz YDJWBUHWYQOPLG-HNNXBMFYSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1c(C(=O)N2CC[C@@](C)(C#N)C2)cccc1-c1nn[n-]n1 ZINC001591803011 1173706049 /nfs/dbraw/zinc/70/60/49/1173706049.db2.gz YDJWBUHWYQOPLG-HNNXBMFYSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1c(C(=O)N[C@@H](C)CC#N)cccc1-c1nnn[n-]1 ZINC001591805775 1173707463 /nfs/dbraw/zinc/70/74/63/1173707463.db2.gz QDTDRCGZUGKROB-QMMMGPOBSA-N -1 3 270.296 1.207 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN[C@H](C)CC#N ZINC001591852165 1173716879 /nfs/dbraw/zinc/71/68/79/1173716879.db2.gz WOWNEMIWPKIZCE-LLVKDONJSA-N -1 3 270.340 1.875 20 30 CDEDHM Cc1cc(NC(=O)CCCC#N)cc(-c2nnn[n-]2)c1 ZINC001592017634 1173773026 /nfs/dbraw/zinc/77/30/26/1173773026.db2.gz IRRWIEKEILOPDL-UHFFFAOYSA-N -1 3 270.296 1.808 20 30 CDEDHM Cc1cc(NC(=O)CCCC#N)cc(-c2nn[n-]n2)c1 ZINC001592017634 1173773029 /nfs/dbraw/zinc/77/30/29/1173773029.db2.gz IRRWIEKEILOPDL-UHFFFAOYSA-N -1 3 270.296 1.808 20 30 CDEDHM Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1-c1nnn[n-]1 ZINC001592122420 1173808146 /nfs/dbraw/zinc/80/81/46/1173808146.db2.gz JDEQDQRRYZOLDK-LBPRGKRZSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1-c1nn[n-]n1 ZINC001592122420 1173808152 /nfs/dbraw/zinc/80/81/52/1173808152.db2.gz JDEQDQRRYZOLDK-LBPRGKRZSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001592340823 1173862727 /nfs/dbraw/zinc/86/27/27/1173862727.db2.gz KPTVFWPMMQKIGB-JBLDHEPKSA-N -1 3 299.338 1.201 20 30 CDEDHM 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20 30 CDEDHM Cc1cccnc1NN=Cc1c([O-])c(C)ncc1CO ZINC000790193107 1162133862 /nfs/dbraw/zinc/13/38/62/1162133862.db2.gz SWZOWQKGGHAOGQ-UHFFFAOYSA-N -1 3 272.308 1.737 20 30 CDEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@@H](C)CC#N)s1 ZINC001604506494 1163211181 /nfs/dbraw/zinc/21/11/81/1163211181.db2.gz AHJMUUHNJQRWMD-ZETCQYMHSA-N -1 3 290.352 1.979 20 30 CDEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@@H](C)CC#N)s1 ZINC001604506494 1163211187 /nfs/dbraw/zinc/21/11/87/1163211187.db2.gz AHJMUUHNJQRWMD-ZETCQYMHSA-N -1 3 290.352 1.979 20 30 CDEDHM CCc1ccccc1Cn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001604533215 1163221306 /nfs/dbraw/zinc/22/13/06/1163221306.db2.gz NNZATDRECDBULX-UHFFFAOYSA-N -1 3 294.322 1.128 20 30 CDEDHM CCc1ccccc1Cn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001604533215 1163221312 /nfs/dbraw/zinc/22/13/12/1163221312.db2.gz NNZATDRECDBULX-UHFFFAOYSA-N -1 3 294.322 1.128 20 30 CDEDHM Cc1cc(C(=O)OC2(CC#N)CCC2)ncc1-c1nnn[n-]1 ZINC001605629104 1163628835 /nfs/dbraw/zinc/62/88/35/1163628835.db2.gz DEDFYUKYPAGQML-UHFFFAOYSA-N -1 3 298.306 1.563 20 30 CDEDHM Cc1cc(C(=O)OC2(CC#N)CCC2)ncc1-c1nn[n-]n1 ZINC001605629104 1163628838 /nfs/dbraw/zinc/62/88/38/1163628838.db2.gz DEDFYUKYPAGQML-UHFFFAOYSA-N -1 3 298.306 1.563 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)CC#N ZINC001605795062 1163671497 /nfs/dbraw/zinc/67/14/97/1163671497.db2.gz UHCNBFALJUDPEI-VIFPVBQESA-N -1 3 270.296 1.663 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CC#N ZINC001605795062 1163671501 /nfs/dbraw/zinc/67/15/01/1163671501.db2.gz UHCNBFALJUDPEI-VIFPVBQESA-N -1 3 270.296 1.663 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccn(C(C)C)n1 ZINC001606023949 1163749418 /nfs/dbraw/zinc/74/94/18/1163749418.db2.gz OUMCCZPHSKFTSW-UHFFFAOYSA-N -1 3 297.326 1.069 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccn(C(C)C)n1 ZINC001606023949 1163749423 /nfs/dbraw/zinc/74/94/23/1163749423.db2.gz OUMCCZPHSKFTSW-UHFFFAOYSA-N -1 3 297.326 1.069 20 30 CDEDHM N#Cc1cnnc(Oc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC001606388702 1163884171 /nfs/dbraw/zinc/88/41/71/1163884171.db2.gz CXZLKFHNEALFFM-UHFFFAOYSA-N -1 3 299.681 1.974 20 30 CDEDHM N#Cc1cnnc(Oc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC001606388702 1163884175 /nfs/dbraw/zinc/88/41/75/1163884175.db2.gz CXZLKFHNEALFFM-UHFFFAOYSA-N -1 3 299.681 1.974 20 30 CDEDHM COC(=O)c1cc([N-]S(=O)(=O)CC#N)c(C)cc1C ZINC001192982632 1164384815 /nfs/dbraw/zinc/38/48/15/1164384815.db2.gz VBDLMTFVCDBHRY-UHFFFAOYSA-N -1 3 282.321 1.355 20 30 CDEDHM C=CCCN(C)c1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001609054588 1164746324 /nfs/dbraw/zinc/74/63/24/1164746324.db2.gz BMSBTWKDZOJULF-UHFFFAOYSA-N -1 3 258.329 1.891 20 30 CDEDHM C=CCCN(C)c1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001609054588 1164746332 /nfs/dbraw/zinc/74/63/32/1164746332.db2.gz BMSBTWKDZOJULF-UHFFFAOYSA-N -1 3 258.329 1.891 20 30 CDEDHM C=CCNC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001609058500 1164751689 /nfs/dbraw/zinc/75/16/89/1164751689.db2.gz CEJMXNZPSZBXFQ-UHFFFAOYSA-N -1 3 298.228 1.196 20 30 CDEDHM CCC[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001609207695 1164846748 /nfs/dbraw/zinc/84/67/48/1164846748.db2.gz QIHYSOACKKCRAM-LBPRGKRZSA-N -1 3 298.350 1.744 20 30 CDEDHM CCC[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001609207695 1164846758 /nfs/dbraw/zinc/84/67/58/1164846758.db2.gz QIHYSOACKKCRAM-LBPRGKRZSA-N -1 3 298.350 1.744 20 30 CDEDHM CNc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001609291982 1164883471 /nfs/dbraw/zinc/88/34/71/1164883471.db2.gz LRAOKGLUXWFFPT-UHFFFAOYSA-N -1 3 292.306 1.919 20 30 CDEDHM CNc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001609291982 1164883475 /nfs/dbraw/zinc/88/34/75/1164883475.db2.gz LRAOKGLUXWFFPT-UHFFFAOYSA-N -1 3 292.306 1.919 20 30 CDEDHM Cn1ccc(N=NCc2ccccc2-c2nn[n-]n2)n1 ZINC001609480186 1164967181 /nfs/dbraw/zinc/96/71/81/1164967181.db2.gz RDZWWZCYDTXSIQ-UHFFFAOYSA-N -1 3 268.284 1.046 20 30 CDEDHM N#Cc1c[nH]nc1[N-]C(=O)c1scnc1Cl ZINC001639694529 1166962614 /nfs/dbraw/zinc/96/26/14/1166962614.db2.gz QSMMKMATWGXQRK-UHFFFAOYSA-N -1 3 253.674 1.644 20 30 CDEDHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@H](C#N)C1 ZINC001647479792 1168750317 /nfs/dbraw/zinc/75/03/17/1168750317.db2.gz BKSCKCNGDRIWDK-LLVKDONJSA-N -1 3 274.324 1.185 20 30 CDEDHM C#C[C@H](C)Nc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001588327000 1173020321 /nfs/dbraw/zinc/02/03/21/1173020321.db2.gz ZTGITCVLUVLCTF-LURJTMIESA-N -1 3 293.128 1.458 20 30 CDEDHM C#C[C@H](C)Nc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001588327000 1173020327 /nfs/dbraw/zinc/02/03/27/1173020327.db2.gz ZTGITCVLUVLCTF-LURJTMIESA-N -1 3 293.128 1.458 20 30 CDEDHM C#C[C@H](Nc1nnccc1-c1nnn[n-]1)c1ccccc1 ZINC001588328172 1173030770 /nfs/dbraw/zinc/03/07/70/1173030770.db2.gz AFSQHIZCCHTNNV-LBPRGKRZSA-N -1 3 277.291 1.443 20 30 CDEDHM C#C[C@H](Nc1nnccc1-c1nn[n-]n1)c1ccccc1 ZINC001588328172 1173030777 /nfs/dbraw/zinc/03/07/77/1173030777.db2.gz AFSQHIZCCHTNNV-LBPRGKRZSA-N -1 3 277.291 1.443 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588331755 1173033082 /nfs/dbraw/zinc/03/30/82/1173033082.db2.gz CZUWBUPMMUDITG-ZDUSSCGKSA-N -1 3 295.346 1.803 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588331755 1173033089 /nfs/dbraw/zinc/03/30/89/1173033089.db2.gz CZUWBUPMMUDITG-ZDUSSCGKSA-N -1 3 295.346 1.803 20 30 CDEDHM C#CCON=C(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588363385 1173052967 /nfs/dbraw/zinc/05/29/67/1173052967.db2.gz CFLAVTLWQZAONT-UHFFFAOYSA-N -1 3 255.281 1.631 20 30 CDEDHM C#CCON=C(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588363385 1173052972 /nfs/dbraw/zinc/05/29/72/1173052972.db2.gz CFLAVTLWQZAONT-UHFFFAOYSA-N -1 3 255.281 1.631 20 30 CDEDHM C(=NOC[C@@H]1CCOC1)c1ccccc1-c1nnn[n-]1 ZINC001588384338 1173057491 /nfs/dbraw/zinc/05/74/91/1173057491.db2.gz HCORTXHYPSXVFT-SNVBAGLBSA-N -1 3 273.296 1.254 20 30 CDEDHM C(=NOC[C@@H]1CCOC1)c1ccccc1-c1nn[n-]n1 ZINC001588384338 1173057496 /nfs/dbraw/zinc/05/74/96/1173057496.db2.gz HCORTXHYPSXVFT-SNVBAGLBSA-N -1 3 273.296 1.254 20 30 CDEDHM C=C[C@@H](C)NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588515410 1173072643 /nfs/dbraw/zinc/07/26/43/1173072643.db2.gz BYWWAISEHOFHMA-RNCFNFMXSA-N -1 3 298.350 1.208 20 30 CDEDHM C=C[C@@H](C)NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588515410 1173072651 /nfs/dbraw/zinc/07/26/51/1173072651.db2.gz BYWWAISEHOFHMA-RNCFNFMXSA-N -1 3 298.350 1.208 20 30 CDEDHM C=CCCC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588576125 1173084123 /nfs/dbraw/zinc/08/41/23/1173084123.db2.gz GMGLOCOORTXVCG-UHFFFAOYSA-N -1 3 258.285 1.475 20 30 CDEDHM C=CCCC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588576125 1173084130 /nfs/dbraw/zinc/08/41/30/1173084130.db2.gz GMGLOCOORTXVCG-UHFFFAOYSA-N -1 3 258.285 1.475 20 30 CDEDHM C=CCCONC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588617878 1173088053 /nfs/dbraw/zinc/08/80/53/1173088053.db2.gz FODIWMNUKHQGAC-UHFFFAOYSA-N -1 3 277.259 1.243 20 30 CDEDHM C=CCCONC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588617878 1173088058 /nfs/dbraw/zinc/08/80/58/1173088058.db2.gz FODIWMNUKHQGAC-UHFFFAOYSA-N -1 3 277.259 1.243 20 30 CDEDHM C=CCN(C(=O)c1cc(-c2nnn[n-]2)[nH]c1C)C1CC1 ZINC001588625024 1173091033 /nfs/dbraw/zinc/09/10/33/1173091033.db2.gz BHCATAYIHLXAPV-UHFFFAOYSA-N -1 3 272.312 1.294 20 30 CDEDHM C=CCN(C(=O)c1cc(-c2nn[n-]n2)[nH]c1C)C1CC1 ZINC001588625024 1173091038 /nfs/dbraw/zinc/09/10/38/1173091038.db2.gz BHCATAYIHLXAPV-UHFFFAOYSA-N -1 3 272.312 1.294 20 30 CDEDHM C=CCNC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588658424 1173095896 /nfs/dbraw/zinc/09/58/96/1173095896.db2.gz JIDJNYDWIORPHB-UHFFFAOYSA-N -1 3 268.280 1.264 20 30 CDEDHM C=CCO[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588665640 1173095995 /nfs/dbraw/zinc/09/59/95/1173095995.db2.gz OEKCDSDWTNCFRS-ZDUSSCGKSA-N -1 3 271.324 1.648 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001588718714 1173099460 /nfs/dbraw/zinc/09/94/60/1173099460.db2.gz RASXAWYKGDVDDP-MNOVXSKESA-N -1 3 272.312 1.407 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001588718714 1173099466 /nfs/dbraw/zinc/09/94/66/1173099466.db2.gz RASXAWYKGDVDDP-MNOVXSKESA-N -1 3 272.312 1.407 20 30 CDEDHM C=CCSCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001588694725 1173099858 /nfs/dbraw/zinc/09/98/58/1173099858.db2.gz LLIJBRRVPIFZHO-UHFFFAOYSA-N -1 3 280.332 1.732 20 30 CDEDHM C=CCSCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001588694725 1173099863 /nfs/dbraw/zinc/09/98/63/1173099863.db2.gz LLIJBRRVPIFZHO-UHFFFAOYSA-N -1 3 280.332 1.732 20 30 CDEDHM CC#CCN(C)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588746038 1173102780 /nfs/dbraw/zinc/10/27/80/1173102780.db2.gz KXZDSWPFNGHBLY-UHFFFAOYSA-N -1 3 288.286 1.493 20 30 CDEDHM CC#CCN(C)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588746038 1173102786 /nfs/dbraw/zinc/10/27/86/1173102786.db2.gz KXZDSWPFNGHBLY-UHFFFAOYSA-N -1 3 288.286 1.493 20 30 CDEDHM CC(=NN(C)[C@@H](C)CO)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588773428 1173104476 /nfs/dbraw/zinc/10/44/76/1173104476.db2.gz ZJZKWMJMFCNUCL-QMMMGPOBSA-N -1 3 292.318 1.042 20 30 CDEDHM CC(=NN(C)[C@@H](C)CO)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588773428 1173104484 /nfs/dbraw/zinc/10/44/84/1173104484.db2.gz ZJZKWMJMFCNUCL-QMMMGPOBSA-N -1 3 292.318 1.042 20 30 CDEDHM C[C@H](C#N)CN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001588930681 1173115539 /nfs/dbraw/zinc/11/55/39/1173115539.db2.gz GAEOSBPVHGSNRX-SECBINFHSA-N -1 3 267.296 1.334 20 30 CDEDHM C[C@H](C#N)CN(C)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001588930681 1173115543 /nfs/dbraw/zinc/11/55/43/1173115543.db2.gz GAEOSBPVHGSNRX-SECBINFHSA-N -1 3 267.296 1.334 20 30 CDEDHM C[C@@H](C#N)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588934805 1173116988 /nfs/dbraw/zinc/11/69/88/1173116988.db2.gz VXNSWDCAXBBSQU-ZETCQYMHSA-N -1 3 273.256 1.346 20 30 CDEDHM C[C@@H](C#N)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588934805 1173116990 /nfs/dbraw/zinc/11/69/90/1173116990.db2.gz VXNSWDCAXBBSQU-ZETCQYMHSA-N -1 3 273.256 1.346 20 30 CDEDHM CC(C)C#CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001589389779 1173142635 /nfs/dbraw/zinc/14/26/35/1173142635.db2.gz MWTSJWBTHCYEDL-UHFFFAOYSA-N -1 3 269.308 1.142 20 30 CDEDHM CC(C)C#CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001589389779 1173142642 /nfs/dbraw/zinc/14/26/42/1173142642.db2.gz MWTSJWBTHCYEDL-UHFFFAOYSA-N -1 3 269.308 1.142 20 30 CDEDHM CC(C)CN(CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589614116 1173163188 /nfs/dbraw/zinc/16/31/88/1173163188.db2.gz NYMFUPNVBDKOHN-UHFFFAOYSA-N -1 3 256.313 1.853 20 30 CDEDHM C[C@@H](CC#N)NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589786779 1173179164 /nfs/dbraw/zinc/17/91/64/1173179164.db2.gz CLFLWFXWVVWJQB-QMMMGPOBSA-N -1 3 287.283 1.167 20 30 CDEDHM C[C@@H](CC#N)NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589786779 1173179169 /nfs/dbraw/zinc/17/91/69/1173179169.db2.gz CLFLWFXWVVWJQB-QMMMGPOBSA-N -1 3 287.283 1.167 20 30 CDEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)CCC#N ZINC001590047631 1173240877 /nfs/dbraw/zinc/24/08/77/1173240877.db2.gz ZDTGQUACMPGTDJ-JTQLQIEISA-N -1 3 256.313 1.773 20 30 CDEDHM C[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2)[C@H](C)O1 ZINC001590181181 1173280367 /nfs/dbraw/zinc/28/03/67/1173280367.db2.gz LZOWOBKDUKQLNL-BDAKNGLRSA-N -1 3 272.312 1.832 20 30 CDEDHM C[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)[C@H](C)O1 ZINC001590181181 1173280370 /nfs/dbraw/zinc/28/03/70/1173280370.db2.gz LZOWOBKDUKQLNL-BDAKNGLRSA-N -1 3 272.312 1.832 20 30 CDEDHM C[C@@H]1C(=NNCc2ccc(-c3nnn[n-]3)cc2)CO[C@H]1C ZINC001590340118 1173368159 /nfs/dbraw/zinc/36/81/59/1173368159.db2.gz YQPCXVDJCZIOGT-UWVGGRQHSA-N -1 3 286.339 1.367 20 30 CDEDHM C[C@@H]1C(=NNCc2ccc(-c3nn[n-]n3)cc2)CO[C@H]1C ZINC001590340118 1173368165 /nfs/dbraw/zinc/36/81/65/1173368165.db2.gz YQPCXVDJCZIOGT-UWVGGRQHSA-N -1 3 286.339 1.367 20 30 CDEDHM CC[C@H](C#N)C(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001590367081 1173377011 /nfs/dbraw/zinc/37/70/11/1173377011.db2.gz AKMCJZIMMRPLSV-SECBINFHSA-N -1 3 282.307 1.306 20 30 CDEDHM CC[C@H](C#N)C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001590367081 1173377017 /nfs/dbraw/zinc/37/70/17/1173377017.db2.gz AKMCJZIMMRPLSV-SECBINFHSA-N -1 3 282.307 1.306 20 30 CDEDHM CC[C@@H](CC#N)Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590419509 1173401929 /nfs/dbraw/zinc/40/19/29/1173401929.db2.gz MTBUBTHFWKVCMX-QMMMGPOBSA-N -1 3 288.271 1.274 20 30 CDEDHM CC[C@@H](CC#N)Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590419509 1173401931 /nfs/dbraw/zinc/40/19/31/1173401931.db2.gz MTBUBTHFWKVCMX-QMMMGPOBSA-N -1 3 288.271 1.274 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)OCCC(C)(C)C#N ZINC001591785307 1173704937 /nfs/dbraw/zinc/70/49/37/1173704937.db2.gz JODYVFBLIXQECS-UHFFFAOYSA-N -1 3 288.311 1.600 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)OCCC(C)(C)C#N ZINC001591785307 1173704939 /nfs/dbraw/zinc/70/49/39/1173704939.db2.gz JODYVFBLIXQECS-UHFFFAOYSA-N -1 3 288.311 1.600 20 30 CDEDHM Cc1cc(C(=O)N(CC#N)C2CC2)cc(C)c1-c1nnn[n-]1 ZINC001591908531 1173744513 /nfs/dbraw/zinc/74/45/13/1173744513.db2.gz CMCQWBUZLGMOMF-UHFFFAOYSA-N -1 3 296.334 1.612 20 30 CDEDHM Cc1cc(C(=O)N(CC#N)C2CC2)cc(C)c1-c1nn[n-]n1 ZINC001591908531 1173744517 /nfs/dbraw/zinc/74/45/17/1173744517.db2.gz CMCQWBUZLGMOMF-UHFFFAOYSA-N -1 3 296.334 1.612 20 30 CDEDHM Cc1cnn(C)c1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001592302480 1173852500 /nfs/dbraw/zinc/85/25/00/1173852500.db2.gz JWNOMIRVRVRJRU-FPLPWBNLSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1cnn(C)c1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001592302480 1173852506 /nfs/dbraw/zinc/85/25/06/1173852506.db2.gz JWNOMIRVRVRJRU-FPLPWBNLSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1nc(N2CCC[C@@](C)(C#N)C2)ccc1-c1nnn[n-]1 ZINC001592368736 1173869810 /nfs/dbraw/zinc/86/98/10/1173869810.db2.gz DPKYFFLIANTZFO-AWEZNQCLSA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1nc(N2CCC[C@@](C)(C#N)C2)ccc1-c1nn[n-]n1 ZINC001592368736 1173869814 /nfs/dbraw/zinc/86/98/14/1173869814.db2.gz DPKYFFLIANTZFO-AWEZNQCLSA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1ncc(Cn2c(C)nc(C#N)c2-c2nnn[n-]2)s1 ZINC001592410358 1173880810 /nfs/dbraw/zinc/88/08/10/1173880810.db2.gz MBGROOGUPXQHLR-UHFFFAOYSA-N -1 3 286.324 1.057 20 30 CDEDHM Cc1ncc(Cn2c(C)nc(C#N)c2-c2nn[n-]n2)s1 ZINC001592410358 1173880813 /nfs/dbraw/zinc/88/08/13/1173880813.db2.gz MBGROOGUPXQHLR-UHFFFAOYSA-N -1 3 286.324 1.057 20 30 CDEDHM N#C[C@H]1CC[C@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592672756 1173962244 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C#C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001602697100 1175363953 /nfs/dbraw/zinc/36/39/53/1175363953.db2.gz RGILKEIYMQBUQN-SNVBAGLBSA-N -1 3 298.306 1.625 20 30 CDEDHM C#C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001602697100 1175363956 /nfs/dbraw/zinc/36/39/56/1175363956.db2.gz RGILKEIYMQBUQN-SNVBAGLBSA-N -1 3 298.306 1.625 20 30 CDEDHM C=C(C)CN(C)c1nc2c(cc1-c1nnn[n-]1)COCC2 ZINC001602758196 1175390996 /nfs/dbraw/zinc/39/09/96/1175390996.db2.gz DKXQXRINALRVDY-UHFFFAOYSA-N -1 3 286.339 1.347 20 30 CDEDHM C=C(C)CN(C)c1nc2c(cc1-c1nn[n-]n1)COCC2 ZINC001602758196 1175391001 /nfs/dbraw/zinc/39/10/01/1175391001.db2.gz DKXQXRINALRVDY-UHFFFAOYSA-N -1 3 286.339 1.347 20 30 CDEDHM C=CC(C)(C)CNC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001602787005 1175402066 /nfs/dbraw/zinc/40/20/66/1175402066.db2.gz UYUTZAKODLYMEY-UHFFFAOYSA-N -1 3 286.339 1.512 20 30 CDEDHM C=CC(C)(C)CNC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001602787005 1175402069 /nfs/dbraw/zinc/40/20/69/1175402069.db2.gz 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C=CCCCCNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609053221 1164747073 /nfs/dbraw/zinc/74/70/73/1164747073.db2.gz DACNEGNLDWJZDA-UHFFFAOYSA-N -1 3 285.351 1.882 20 30 CDEDHM C=CCCc1noc(-c2cc(-c3nnn[n-]3)cn2C)n1 ZINC001609056002 1164749258 /nfs/dbraw/zinc/74/92/58/1164749258.db2.gz KGBYYVFNYOJIHB-UHFFFAOYSA-N -1 3 271.284 1.374 20 30 CDEDHM C=CCCc1noc(-c2cc(-c3nn[n-]n3)cn2C)n1 ZINC001609056002 1164749264 /nfs/dbraw/zinc/74/92/64/1164749264.db2.gz KGBYYVFNYOJIHB-UHFFFAOYSA-N -1 3 271.284 1.374 20 30 CDEDHM CN(CC(C)(C)C#N)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609271781 1164875620 /nfs/dbraw/zinc/87/56/20/1164875620.db2.gz VNHBFHULIRFCJT-UHFFFAOYSA-N -1 3 290.352 1.550 20 30 CDEDHM C=CCN(CC(=O)[O-])Cc1cc2c(c(OC)c1)OCO2 ZINC000160114867 823726259 /nfs/dbraw/zinc/72/62/59/823726259.db2.gz DJNMYKATGWKBOV-UHFFFAOYSA-N -1 3 279.292 1.497 20 30 CDEDHM C#CCCCNC(=O)c1nnc2ccccc2c1[O-] ZINC000172936428 823714558 /nfs/dbraw/zinc/71/45/58/823714558.db2.gz OKUZDTOPWQQMSR-UHFFFAOYSA-N -1 3 255.277 1.066 20 30 CDEDHM C=CCO[N-]C(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC000837045514 828368040 /nfs/dbraw/zinc/36/80/40/828368040.db2.gz ZMQKHNPYMMCLMG-ZDUSSCGKSA-N -1 3 277.320 1.631 20 30 CDEDHM CCn1ncn(N=Cc2ccc3ccccc3c2[O-])c1=O ZINC000814940427 828464065 /nfs/dbraw/zinc/46/40/65/828464065.db2.gz KNACEBCZEYKGNC-UHFFFAOYSA-N -1 3 282.303 1.806 20 30 CDEDHM CC#CCN(C)C(=O)c1nnc2ccccc2c1[O-] ZINC000819245877 822738011 /nfs/dbraw/zinc/73/80/11/822738011.db2.gz UCZJHLUHTAAOPT-UHFFFAOYSA-N -1 3 255.277 1.431 20 30 CDEDHM O=C1CN(N=Cc2conc2Cc2ccccc2)C(=O)[N-]1 ZINC000814778143 823733033 /nfs/dbraw/zinc/73/30/33/823733033.db2.gz SHMBWUNVWAXVBP-UHFFFAOYSA-N -1 3 284.275 1.151 20 30 CDEDHM CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN([O-])C2=O)CC1 ZINC000816754876 824048664 /nfs/dbraw/zinc/04/86/64/824048664.db2.gz OEKKBQUDNVWOJI-IJLUTSLNSA-N -1 3 268.357 1.699 20 30 CDEDHM Cc1nnc([C@H](C)[N-]S(=O)(=O)CC(C)(C)C#N)s1 ZINC000790047865 824253250 /nfs/dbraw/zinc/25/32/50/824253250.db2.gz JZEUOHZJRKZCFL-ZETCQYMHSA-N -1 3 288.398 1.377 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DDMDAMFWDYZMIB-CQSZACIVSA-N -1 3 294.376 1.919 20 30 CDEDHM C=C(C)[C@H](Cc1nc(-c2cc(=O)[n-]cn2)no1)OCC ZINC000351379258 335612067 /nfs/dbraw/zinc/61/20/67/335612067.db2.gz WRISPYZBUXUFCE-JTQLQIEISA-N -1 3 276.296 1.756 20 30 CDEDHM CCCN(CC#N)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000578375659 335622592 /nfs/dbraw/zinc/62/25/92/335622592.db2.gz CTWOVSLWAYEPTA-UHFFFAOYSA-N -1 3 260.297 1.435 20 30 CDEDHM O=C(N[O-])C1CCN(c2ccc(Cl)cn2)CC1 ZINC000671997994 482482528 /nfs/dbraw/zinc/48/25/28/482482528.db2.gz WNKNSCACUJRBOF-UHFFFAOYSA-N -1 3 255.705 1.457 20 30 CDEDHM CC#CCC[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000681268766 482779321 /nfs/dbraw/zinc/77/93/21/482779321.db2.gz KRCLBGNKLVSFFF-UHFFFAOYSA-N -1 3 298.339 1.476 20 30 CDEDHM C=CCn1c(SCc2nnc(CC)s2)n[n-]c1=O ZINC000680025360 483519093 /nfs/dbraw/zinc/51/90/93/483519093.db2.gz YAYMNRSSLMDYQS-UHFFFAOYSA-N -1 3 283.382 1.876 20 30 CDEDHM Cc1cc(C(=O)N(C)Cc2cccc(C#N)c2)[n-]c(=O)n1 ZINC000340662329 526222757 /nfs/dbraw/zinc/22/27/57/526222757.db2.gz 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/nfs/dbraw/zinc/46/89/01/575468901.db2.gz MCOLSTUIHXLCGY-UHFFFAOYSA-N -1 3 289.368 1.027 20 30 CDEDHM Cc1ccc2[nH]cc(C=NN3CC(=O)[N-]C3=O)c2c1 ZINC000735611572 575491818 /nfs/dbraw/zinc/49/18/18/575491818.db2.gz AGPLRYQGEMHSOW-UHFFFAOYSA-N -1 3 256.265 1.362 20 30 CDEDHM C=C(C)[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000770920099 575517499 /nfs/dbraw/zinc/51/74/99/575517499.db2.gz ZJXUNMVBQSIVMP-VIFPVBQESA-N -1 3 284.337 1.111 20 30 CDEDHM CC(C#N)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000736203891 575588845 /nfs/dbraw/zinc/58/88/45/575588845.db2.gz WIRKECRXLSTZIF-NSHDSACASA-N -1 3 260.293 1.650 20 30 CDEDHM CCN(CC#N)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736512535 575681656 /nfs/dbraw/zinc/68/16/56/575681656.db2.gz PVUXKEHMQOCBDN-UHFFFAOYSA-N -1 3 281.323 1.465 20 30 CDEDHM CCN(CC#N)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000736512535 575681658 /nfs/dbraw/zinc/68/16/58/575681658.db2.gz PVUXKEHMQOCBDN-UHFFFAOYSA-N -1 3 281.323 1.465 20 30 CDEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)[C@@H]1CCCO1 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N#Cc1cc(NCc2nnc(C(F)(F)F)[n-]2)ncn1 ZINC000764892820 575961177 /nfs/dbraw/zinc/96/11/77/575961177.db2.gz KCBWTVNBYYYRHN-UHFFFAOYSA-N -1 3 269.190 1.097 20 30 CDEDHM N#Cc1cc(NCc2n[n-]c(C(F)(F)F)n2)ncn1 ZINC000764892820 575961180 /nfs/dbraw/zinc/96/11/80/575961180.db2.gz KCBWTVNBYYYRHN-UHFFFAOYSA-N -1 3 269.190 1.097 20 30 CDEDHM N#Cc1cc(NCc2nc(C(F)(F)F)n[n-]2)ncn1 ZINC000764892820 575961184 /nfs/dbraw/zinc/96/11/84/575961184.db2.gz KCBWTVNBYYYRHN-UHFFFAOYSA-N -1 3 269.190 1.097 20 30 CDEDHM N#Cc1nccnc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737731284 576008697 /nfs/dbraw/zinc/00/86/97/576008697.db2.gz QKZNNYSWDXXKGV-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1nccnc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737731284 576008701 /nfs/dbraw/zinc/00/87/01/576008701.db2.gz QKZNNYSWDXXKGV-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000765867786 576061309 /nfs/dbraw/zinc/06/13/09/576061309.db2.gz SDYDVQUDXISITC-GFCCVEGCSA-N -1 3 293.392 1.760 20 30 CDEDHM C#CCC(C)(C)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000767668732 576218210 /nfs/dbraw/zinc/21/82/10/576218210.db2.gz SSNVXMVFYLJZAX-UHFFFAOYSA-N -1 3 279.258 1.648 20 30 CDEDHM Cc1cccc(OCCn2ccc(C=N[O-])nc2=O)c1 ZINC000759766867 576427489 /nfs/dbraw/zinc/42/74/89/576427489.db2.gz ORUBBRPDMUFDEI-UHFFFAOYSA-N -1 3 273.292 1.439 20 30 CDEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cncnc2)c1 ZINC000761098770 576548256 /nfs/dbraw/zinc/54/82/56/576548256.db2.gz HRFKKZLPDHGAGA-CYBMUJFWSA-N -1 3 280.287 1.746 20 30 CDEDHM C#CCCC[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000742333712 576595818 /nfs/dbraw/zinc/59/58/18/576595818.db2.gz NGJAWJWBOPFALC-UHFFFAOYSA-N -1 3 298.339 1.476 20 30 CDEDHM CC(C)Oc1ccccc1C=NN1CC(=O)[N-]C1=O ZINC000744810874 576699244 /nfs/dbraw/zinc/69/92/44/576699244.db2.gz ZZBDNKBNDUPAOH-UHFFFAOYSA-N -1 3 261.281 1.360 20 30 CDEDHM C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(C(=O)[O-])cn1 ZINC000763369163 576733147 /nfs/dbraw/zinc/73/31/47/576733147.db2.gz RMGZHIKAIWIMIG-SECBINFHSA-N -1 3 274.324 1.662 20 30 CDEDHM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[O-] ZINC000746263206 576766945 /nfs/dbraw/zinc/76/69/45/576766945.db2.gz BEAHYUGISXEVHD-RXMQYKEDSA-N -1 3 277.107 1.617 20 30 CDEDHM C=CCOC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000756218197 576981682 /nfs/dbraw/zinc/98/16/82/576981682.db2.gz IDWREXWQPSUDSX-CQSZACIVSA-N -1 3 274.276 1.084 20 30 CDEDHM N#CCCn1ccc(NC([O-])=NOCc2cccnc2)n1 ZINC000756656136 576999025 /nfs/dbraw/zinc/99/90/25/576999025.db2.gz VSFXZDGEADEKGS-UHFFFAOYSA-N -1 3 286.295 1.445 20 30 CDEDHM N#CCCn1ccc(NC(=O)[N-]OCc2cccnc2)n1 ZINC000756656136 576999027 /nfs/dbraw/zinc/99/90/27/576999027.db2.gz VSFXZDGEADEKGS-UHFFFAOYSA-N -1 3 286.295 1.445 20 30 CDEDHM C[C@H](C#N)COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819855550 607323067 /nfs/dbraw/zinc/32/30/67/607323067.db2.gz FGHHGKSGRIQYCO-MRVPVSSYSA-N -1 3 257.253 1.183 20 30 CDEDHM C[C@H](C#N)COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819855550 607323068 /nfs/dbraw/zinc/32/30/68/607323068.db2.gz FGHHGKSGRIQYCO-MRVPVSSYSA-N -1 3 257.253 1.183 20 30 CDEDHM C[C@H](C#N)COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819857060 607323085 /nfs/dbraw/zinc/32/30/85/607323085.db2.gz OKUUAOIYQBJFJS-MRVPVSSYSA-N -1 3 257.253 1.183 20 30 CDEDHM C[C@H](C#N)COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819857060 607323086 /nfs/dbraw/zinc/32/30/86/607323086.db2.gz OKUUAOIYQBJFJS-MRVPVSSYSA-N -1 3 257.253 1.183 20 30 CDEDHM N#Cc1ccc(Oc2ccccc2-c2nnn[n-]2)nn1 ZINC000826385818 608388808 /nfs/dbraw/zinc/38/88/08/608388808.db2.gz CDXPNMMNMPTEAU-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM N#Cc1ccc(Oc2ccccc2-c2nn[n-]n2)nn1 ZINC000826385818 608388809 /nfs/dbraw/zinc/38/88/09/608388809.db2.gz CDXPNMMNMPTEAU-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM C#CCN1CCC(C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000825614477 602180931 /nfs/dbraw/zinc/18/09/31/602180931.db2.gz OYWHLJXWJVEPAH-UHFFFAOYSA-N -1 3 292.360 1.730 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001602689339 1175353100 /nfs/dbraw/zinc/35/31/00/1175353100.db2.gz DCQVJKXGRKOFAR-SSDOTTSWSA-N -1 3 276.325 1.414 20 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C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588456201 1173067071 /nfs/dbraw/zinc/06/70/71/1173067071.db2.gz IQGPJBKSGIULBU-TXEJJXNPSA-N -1 3 296.334 1.585 20 30 CDEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588456201 1173067075 /nfs/dbraw/zinc/06/70/75/1173067075.db2.gz IQGPJBKSGIULBU-TXEJJXNPSA-N -1 3 296.334 1.585 20 30 CDEDHM C=C[C@H](COC)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588526169 1173075755 /nfs/dbraw/zinc/07/57/55/1173075755.db2.gz RBVQENZBGMJNCC-SECBINFHSA-N -1 3 290.283 1.388 20 30 CDEDHM C=C[C@H](COC)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588526169 1173075757 /nfs/dbraw/zinc/07/57/57/1173075757.db2.gz RBVQENZBGMJNCC-SECBINFHSA-N -1 3 290.283 1.388 20 30 CDEDHM C=CC[C@H](CC)NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588540582 1173078103 /nfs/dbraw/zinc/07/81/03/1173078103.db2.gz BNEPREQPBWVWTK-JTQLQIEISA-N -1 3 272.312 1.346 20 30 CDEDHM C=CC[C@H](CC)NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588540582 1173078109 /nfs/dbraw/zinc/07/81/09/1173078109.db2.gz BNEPREQPBWVWTK-JTQLQIEISA-N -1 3 272.312 1.346 20 30 CDEDHM C=CC[C@@H]1CCN(C(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001588565268 1173082796 /nfs/dbraw/zinc/08/27/96/1173082796.db2.gz YAXSNOCIWNABCM-SECBINFHSA-N -1 3 289.364 1.966 20 30 CDEDHM C=CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1C)C1CC1 ZINC001588626446 1173092058 /nfs/dbraw/zinc/09/20/58/1173092058.db2.gz ZOINBUWCDQHASU-UHFFFAOYSA-N -1 3 284.323 1.361 20 30 CDEDHM C=CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1C)C1CC1 ZINC001588626446 1173092065 /nfs/dbraw/zinc/09/20/65/1173092065.db2.gz ZOINBUWCDQHASU-UHFFFAOYSA-N -1 3 284.323 1.361 20 30 CDEDHM C=CCn1cnnc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC001588717321 1173099066 /nfs/dbraw/zinc/09/90/66/1173099066.db2.gz ZXOZXKRMJVUZAJ-UHFFFAOYSA-N -1 3 299.363 1.937 20 30 CDEDHM C=CCn1cnnc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC001588717321 1173099075 /nfs/dbraw/zinc/09/90/75/1173099075.db2.gz ZXOZXKRMJVUZAJ-UHFFFAOYSA-N -1 3 299.363 1.937 20 30 CDEDHM C[C@H](C#N)N(CCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588934442 1173115220 /nfs/dbraw/zinc/11/52/20/1173115220.db2.gz MQAHVWNVFCYFSU-LLVKDONJSA-N -1 3 282.351 1.786 20 30 CDEDHM C[C@H](C#N)N(CCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588934442 1173115226 /nfs/dbraw/zinc/11/52/26/1173115226.db2.gz MQAHVWNVFCYFSU-LLVKDONJSA-N -1 3 282.351 1.786 20 30 CDEDHM CC(C)(C)C#CC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001589068100 1173122274 /nfs/dbraw/zinc/12/22/74/1173122274.db2.gz LTKGQYQEXSVSFD-UHFFFAOYSA-N -1 3 295.346 1.758 20 30 CDEDHM CC(C)(C)C#CC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001589068100 1173122280 /nfs/dbraw/zinc/12/22/80/1173122280.db2.gz LTKGQYQEXSVSFD-UHFFFAOYSA-N -1 3 295.346 1.758 20 30 CDEDHM C[C@@H](CO)CSc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589881849 1173196291 /nfs/dbraw/zinc/19/62/91/1173196291.db2.gz FMLOUJBQOMMZGA-QMMMGPOBSA-N -1 3 275.337 1.459 20 30 CDEDHM C[C@@H](CO)CSc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589881849 1173196294 /nfs/dbraw/zinc/19/62/94/1173196294.db2.gz FMLOUJBQOMMZGA-QMMMGPOBSA-N -1 3 275.337 1.459 20 30 CDEDHM CCC(=NNC[C@H](C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359141 1173373193 /nfs/dbraw/zinc/37/31/93/1173373193.db2.gz OZRYVBIBOTZGBF-SNVBAGLBSA-N -1 3 283.339 1.730 20 30 CDEDHM CCC(=NNC[C@H](C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359141 1173373199 /nfs/dbraw/zinc/37/31/99/1173373199.db2.gz OZRYVBIBOTZGBF-SNVBAGLBSA-N -1 3 283.339 1.730 20 30 CDEDHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@H](C)C#N ZINC001590668644 1173487523 /nfs/dbraw/zinc/48/75/23/1173487523.db2.gz QUQPWEQHDSUHPJ-SNVBAGLBSA-N -1 3 299.338 1.039 20 30 CDEDHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001590860471 1173530936 /nfs/dbraw/zinc/53/09/36/1173530936.db2.gz XBTWWSBDYZTNQL-PRHODGIISA-N -1 3 282.307 1.723 20 30 CDEDHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001590860471 1173530938 /nfs/dbraw/zinc/53/09/38/1173530938.db2.gz XBTWWSBDYZTNQL-PRHODGIISA-N -1 3 282.307 1.723 20 30 CDEDHM CN(CCC#N)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591061911 1173567228 /nfs/dbraw/zinc/56/72/28/1173567228.db2.gz JKNFCACRJLCFNW-UHFFFAOYSA-N -1 3 296.334 1.270 20 30 CDEDHM CN(CCC#N)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591061911 1173567232 /nfs/dbraw/zinc/56/72/32/1173567232.db2.gz JKNFCACRJLCFNW-UHFFFAOYSA-N -1 3 296.334 1.270 20 30 CDEDHM COc1ccc(C=NOC2CCC2)cc1-c1nnn[n-]1 ZINC001591582297 1173670850 /nfs/dbraw/zinc/67/08/50/1173670850.db2.gz HAZAJPXZTNZPJE-UHFFFAOYSA-N -1 3 273.296 1.778 20 30 CDEDHM COc1ccc(C=NOC2CCC2)cc1-c1nn[n-]n1 ZINC001591582297 1173670853 /nfs/dbraw/zinc/67/08/53/1173670853.db2.gz HAZAJPXZTNZPJE-UHFFFAOYSA-N -1 3 273.296 1.778 20 30 CDEDHM COc1ccc(-c2nnn[n-]2)cc1N[C@H]1CC[C@@H](C#N)C1 ZINC001591569443 1173671536 /nfs/dbraw/zinc/67/15/36/1173671536.db2.gz LHMDSHXIPBQLMA-KOLCDFICSA-N -1 3 284.323 1.979 20 30 CDEDHM COc1ccc(-c2nn[n-]n2)cc1N[C@H]1CC[C@@H](C#N)C1 ZINC001591569443 1173671539 /nfs/dbraw/zinc/67/15/39/1173671539.db2.gz LHMDSHXIPBQLMA-KOLCDFICSA-N -1 3 284.323 1.979 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC001591780431 1173702243 /nfs/dbraw/zinc/70/22/43/1173702243.db2.gz YERFJBQXRYTVSB-JOYOIKCWSA-N -1 3 299.338 1.268 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC001591780431 1173702248 /nfs/dbraw/zinc/70/22/48/1173702248.db2.gz YERFJBQXRYTVSB-JOYOIKCWSA-N -1 3 299.338 1.268 20 30 CDEDHM Cc1cc(Sc2cc(-c3nnn[n-]3)cnn2)ccc1C#N ZINC001592068032 1173793715 /nfs/dbraw/zinc/79/37/15/1173793715.db2.gz MOGYGKBMOSQKHQ-UHFFFAOYSA-N -1 3 295.331 1.988 20 30 CDEDHM Cc1cc(Sc2cc(-c3nn[n-]n3)cnn2)ccc1C#N ZINC001592068032 1173793721 /nfs/dbraw/zinc/79/37/21/1173793721.db2.gz MOGYGKBMOSQKHQ-UHFFFAOYSA-N -1 3 295.331 1.988 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCc1ccccc1 ZINC001592341065 1173862987 /nfs/dbraw/zinc/86/29/87/1173862987.db2.gz PORKLHVYKBYGFC-UHFFFAOYSA-N -1 3 279.307 1.486 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCc1ccccc1 ZINC001592341065 1173862994 /nfs/dbraw/zinc/86/29/94/1173862994.db2.gz PORKLHVYKBYGFC-UHFFFAOYSA-N -1 3 279.307 1.486 20 30 CDEDHM N#CC1(CNCc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001592670187 1173959544 /nfs/dbraw/zinc/95/95/44/1173959544.db2.gz VJMJCOUWGNFWSD-UHFFFAOYSA-N -1 3 286.314 1.789 20 30 CDEDHM N#CC1CCC(Cn2cc(-c3nnn[n-]3)cn2)CC1 ZINC001592672654 1173962415 /nfs/dbraw/zinc/96/24/15/1173962415.db2.gz LUAWGULOKFAEAG-UHFFFAOYSA-N -1 3 257.301 1.393 20 30 CDEDHM N#CC1CCC(Cn2cc(-c3nn[n-]n3)cn2)CC1 ZINC001592672654 1173962418 /nfs/dbraw/zinc/96/24/18/1173962418.db2.gz LUAWGULOKFAEAG-UHFFFAOYSA-N -1 3 257.301 1.393 20 30 CDEDHM N#CCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592675434 1173964902 /nfs/dbraw/zinc/96/49/02/1173964902.db2.gz PBUPMAPARWPLJN-UHFFFAOYSA-N -1 3 297.322 1.682 20 30 CDEDHM N#CCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592675434 1173964909 /nfs/dbraw/zinc/96/49/09/1173964909.db2.gz PBUPMAPARWPLJN-UHFFFAOYSA-N -1 3 297.322 1.682 20 30 CDEDHM N#Cc1c[nH]nc1[N-]C(=O)c1c(F)cc(F)cc1F ZINC000093334785 1174437330 /nfs/dbraw/zinc/43/73/30/1174437330.db2.gz JXBQBABQYJVAKJ-UHFFFAOYSA-N -1 3 266.182 1.951 20 30 CDEDHM N#Cc1ccc(N2CCN(CCCCC(=O)[O-])CC2)cn1 ZINC001601106219 1174745855 /nfs/dbraw/zinc/74/58/55/1174745855.db2.gz REMHEPSXSKXUJS-UHFFFAOYSA-N -1 3 288.351 1.330 20 30 CDEDHM N#Cc1csc(CNC2(CC(=O)[O-])CCOCC2)n1 ZINC001601131986 1174756995 /nfs/dbraw/zinc/75/69/95/1174756995.db2.gz AHQZZFRGPBAPKG-UHFFFAOYSA-N -1 3 281.337 1.128 20 30 CDEDHM C#CCC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001602696088 1175361549 /nfs/dbraw/zinc/36/15/49/1175361549.db2.gz AFTLMFYZVQZNSZ-UHFFFAOYSA-N -1 3 299.334 1.863 20 30 CDEDHM C#CCC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001602696088 1175361556 /nfs/dbraw/zinc/36/15/56/1175361556.db2.gz AFTLMFYZVQZNSZ-UHFFFAOYSA-N -1 3 299.334 1.863 20 30 CDEDHM C#CC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)cc(C)n2)C1 ZINC001602699757 1175362473 /nfs/dbraw/zinc/36/24/73/1175362473.db2.gz KEYPDNFTCMFJGR-GFCCVEGCSA-N -1 3 282.351 1.810 20 30 CDEDHM C#CC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)cc(C)n2)C1 ZINC001602699757 1175362478 /nfs/dbraw/zinc/36/24/78/1175362478.db2.gz KEYPDNFTCMFJGR-GFCCVEGCSA-N -1 3 282.351 1.810 20 30 CDEDHM C=CC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602810966 1175412565 /nfs/dbraw/zinc/41/25/65/1175412565.db2.gz BOIBFVFUAKGWGE-MRVPVSSYSA-N -1 3 273.296 1.692 20 30 CDEDHM C=CC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602810966 1175412570 /nfs/dbraw/zinc/41/25/70/1175412570.db2.gz BOIBFVFUAKGWGE-MRVPVSSYSA-N -1 3 273.296 1.692 20 30 CDEDHM C=CCCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N ZINC001602826138 1175418097 /nfs/dbraw/zinc/41/80/97/1175418097.db2.gz AQBBEXRGVFBNNQ-UHFFFAOYSA-N -1 3 276.275 1.493 20 30 CDEDHM C=CCCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N ZINC001602826138 1175418102 /nfs/dbraw/zinc/41/81/02/1175418102.db2.gz AQBBEXRGVFBNNQ-UHFFFAOYSA-N -1 3 276.275 1.493 20 30 CDEDHM C=CCONC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001602871845 1175441717 /nfs/dbraw/zinc/44/17/17/1175441717.db2.gz YXHKSSGCGQUNKZ-UHFFFAOYSA-N -1 3 294.340 1.187 20 30 CDEDHM C=CCONC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001602871845 1175441723 /nfs/dbraw/zinc/44/17/23/1175441723.db2.gz YXHKSSGCGQUNKZ-UHFFFAOYSA-N -1 3 294.340 1.187 20 30 CDEDHM CC(C)(C)N1CC[C@@H]1CNc1ccc(C(=O)[O-])nc1C#N ZINC001603345089 1175545389 /nfs/dbraw/zinc/54/53/89/1175545389.db2.gz BBKOFQIQAYBVHX-SNVBAGLBSA-N -1 3 288.351 1.936 20 30 CDEDHM CC(C)ON=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001603357367 1175548319 /nfs/dbraw/zinc/54/83/19/1175548319.db2.gz SEGRNMZGNBVWBE-UHFFFAOYSA-N -1 3 272.312 1.727 20 30 CDEDHM CC(C)ON=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001603357367 1175548323 /nfs/dbraw/zinc/54/83/23/1175548323.db2.gz SEGRNMZGNBVWBE-UHFFFAOYSA-N -1 3 272.312 1.727 20 30 CDEDHM C[C@@H](O)CCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603695678 1175601356 /nfs/dbraw/zinc/60/13/56/1175601356.db2.gz LFXVUZRMRFKVQB-SECBINFHSA-N -1 3 272.312 1.311 20 30 CDEDHM C[C@@H](O)CCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603695678 1175601358 /nfs/dbraw/zinc/60/13/58/1175601358.db2.gz LFXVUZRMRFKVQB-SECBINFHSA-N -1 3 272.312 1.311 20 30 CDEDHM C=CCN(C)CCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001753877598 1185378191 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CDEDHM C#CCCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000823841894 608261999 /nfs/dbraw/zinc/26/19/99/608261999.db2.gz UIZLGWHKNLRMTL-UHFFFAOYSA-N -1 3 285.336 1.221 20 30 CDEDHM C#CCCCOC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000823840950 608348593 /nfs/dbraw/zinc/34/85/93/608348593.db2.gz GYNHIWWKWYWSAO-UHFFFAOYSA-N -1 3 285.307 1.235 20 30 CDEDHM C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000965266560 613215958 /nfs/dbraw/zinc/21/59/58/613215958.db2.gz HYQJHGRXAYDTOR-OCCSQVGLSA-N -1 3 272.348 1.466 20 30 CDEDHM C#CCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000965266561 613220673 /nfs/dbraw/zinc/22/06/73/613220673.db2.gz HYQJHGRXAYDTOR-TZMCWYRMSA-N -1 3 272.348 1.466 20 30 CDEDHM N#Cc1ccc(N2CCN(CCC(=O)[O-])CC2)cc1 ZINC000035687085 617483950 /nfs/dbraw/zinc/48/39/50/617483950.db2.gz JWCMZMWHIPMUOZ-UHFFFAOYSA-N -1 3 259.309 1.155 20 30 CDEDHM CC(=NNC1=NCCN1)c1cc(Cl)c(Cl)cc1[O-] ZINC000841660380 618140418 /nfs/dbraw/zinc/14/04/18/618140418.db2.gz HZWACOOHIVYNMY-UHFFFAOYSA-N -1 3 287.150 1.972 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ZINC001606227596 1163820996 /nfs/dbraw/zinc/82/09/96/1163820996.db2.gz OKFZBXAUTFGOHM-WAYWQWQTSA-N -1 3 298.281 1.635 20 30 CDEDHM Cn1cc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001606227596 1163821005 /nfs/dbraw/zinc/82/10/05/1163821005.db2.gz OKFZBXAUTFGOHM-WAYWQWQTSA-N -1 3 298.281 1.635 20 30 CDEDHM N#CC1(NC(=O)c2sccc2-c2nnn[n-]2)CCC1 ZINC001606344845 1163867962 /nfs/dbraw/zinc/86/79/62/1163867962.db2.gz UNVLDBYZGJNDMW-UHFFFAOYSA-N -1 3 274.309 1.104 20 30 CDEDHM N#CC1(NC(=O)c2sccc2-c2nn[n-]n2)CCC1 ZINC001606344845 1163867965 /nfs/dbraw/zinc/86/79/65/1163867965.db2.gz UNVLDBYZGJNDMW-UHFFFAOYSA-N -1 3 274.309 1.104 20 30 CDEDHM N#CCCCC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001606346649 1163871772 /nfs/dbraw/zinc/87/17/72/1163871772.db2.gz WJYABYXLUZACOT-UHFFFAOYSA-N -1 3 284.323 1.219 20 30 CDEDHM N#CCCCC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001606346649 1163871780 /nfs/dbraw/zinc/87/17/80/1163871780.db2.gz WJYABYXLUZACOT-UHFFFAOYSA-N -1 3 284.323 1.219 20 30 CDEDHM N#CCCNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001606349227 1163874316 /nfs/dbraw/zinc/87/43/16/1163874316.db2.gz GAEGXNVWTDVIRK-UHFFFAOYSA-N -1 3 297.322 1.779 20 30 CDEDHM N#CCCNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001606349227 1163874322 /nfs/dbraw/zinc/87/43/22/1163874322.db2.gz GAEGXNVWTDVIRK-UHFFFAOYSA-N -1 3 297.322 1.779 20 30 CDEDHM C=CCO[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001609058656 1164752164 /nfs/dbraw/zinc/75/21/64/1164752164.db2.gz MMAVSAIZCNOSPJ-JTQLQIEISA-N -1 3 290.302 1.182 20 30 CDEDHM C=CCO[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001609058656 1164752171 /nfs/dbraw/zinc/75/21/71/1164752171.db2.gz MMAVSAIZCNOSPJ-JTQLQIEISA-N -1 3 290.302 1.182 20 30 CDEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CC[C@@](F)(C#N)C1 ZINC001609140140 1164791099 /nfs/dbraw/zinc/79/10/99/1164791099.db2.gz FZQMHUVAPCXFGN-IINYFYTJSA-N -1 3 286.314 1.865 20 30 CDEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CC[C@@](F)(C#N)C1 ZINC001609140140 1164791104 /nfs/dbraw/zinc/79/11/04/1164791104.db2.gz FZQMHUVAPCXFGN-IINYFYTJSA-N -1 3 286.314 1.865 20 30 CDEDHM COCCN(C)N=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001609324242 1164901929 /nfs/dbraw/zinc/90/19/29/1164901929.db2.gz UPPBRAZJXKOQHW-UHFFFAOYSA-N -1 3 286.339 1.095 20 30 CDEDHM COCCN(C)N=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001609324242 1164901934 /nfs/dbraw/zinc/90/19/34/1164901934.db2.gz UPPBRAZJXKOQHW-UHFFFAOYSA-N -1 3 286.339 1.095 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)OCC1(C#N)CC1 ZINC001609390958 1164921798 /nfs/dbraw/zinc/92/17/98/1164921798.db2.gz SMBOFMXYEGQEFC-UHFFFAOYSA-N -1 3 284.279 1.031 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)OCC1(C#N)CC1 ZINC001609390958 1164921800 /nfs/dbraw/zinc/92/18/00/1164921800.db2.gz SMBOFMXYEGQEFC-UHFFFAOYSA-N -1 3 284.279 1.031 20 30 CDEDHM Cc1cc(NCC2(C#N)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409609 1164935009 /nfs/dbraw/zinc/93/50/09/1164935009.db2.gz PZBRVJGKILALRO-UHFFFAOYSA-N -1 3 299.294 1.799 20 30 CDEDHM Cc1cc(NCC2(C#N)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409609 1164935015 /nfs/dbraw/zinc/93/50/15/1164935015.db2.gz PZBRVJGKILALRO-UHFFFAOYSA-N -1 3 299.294 1.799 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccc(F)cc1 ZINC001609446666 1164954221 /nfs/dbraw/zinc/95/42/21/1164954221.db2.gz LOFWWTWWINQVBU-UHFFFAOYSA-N -1 3 283.270 1.431 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccc(F)cc1 ZINC001609446666 1164954224 /nfs/dbraw/zinc/95/42/24/1164954224.db2.gz LOFWWTWWINQVBU-UHFFFAOYSA-N -1 3 283.270 1.431 20 30 CDEDHM C=CCOC[C@H](NCc1ccc(F)c(F)c1)C(=O)[O-] ZINC001609452556 1164956371 /nfs/dbraw/zinc/95/63/71/1164956371.db2.gz QJAOERBIYPJJOL-LBPRGKRZSA-N -1 3 271.263 1.710 20 30 CDEDHM N#Cc1cnccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001609500578 1164977783 /nfs/dbraw/zinc/97/77/83/1164977783.db2.gz KKMHZIROMVZOCE-UHFFFAOYSA-N -1 3 277.291 1.167 20 30 CDEDHM N#Cc1cnccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001609500578 1164977787 /nfs/dbraw/zinc/97/77/87/1164977787.db2.gz KKMHZIROMVZOCE-UHFFFAOYSA-N -1 3 277.291 1.167 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC(C(F)(F)F)C1 ZINC001609499516 1164979168 /nfs/dbraw/zinc/97/91/68/1164979168.db2.gz VFMAMIILXWZVHE-UHFFFAOYSA-N -1 3 294.240 1.737 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC(C(F)(F)F)C1 ZINC001609499516 1164979173 /nfs/dbraw/zinc/97/91/73/1164979173.db2.gz VFMAMIILXWZVHE-UHFFFAOYSA-N -1 3 294.240 1.737 20 30 CDEDHM N#Cc1cc([N-]C(=O)c2cnsn2)c(F)cc1F ZINC001624592895 1165850720 /nfs/dbraw/zinc/85/07/20/1165850720.db2.gz XSXQTBXOCLAMEE-UHFFFAOYSA-N -1 3 266.232 1.940 20 30 CDEDHM N#CCc1cccc(N=c2ncnc3[nH][n-]cc2-3)c1 ZINC001655484132 1171696634 /nfs/dbraw/zinc/69/66/34/1171696634.db2.gz UPUAFKWQLQNEJO-UHFFFAOYSA-N -1 3 250.265 1.536 20 30 CDEDHM C#C[C@@H](Nc1nnccc1-c1nnn[n-]1)c1ccccc1 ZINC001588328171 1173030379 /nfs/dbraw/zinc/03/03/79/1173030379.db2.gz AFSQHIZCCHTNNV-GFCCVEGCSA-N -1 3 277.291 1.443 20 30 CDEDHM C#C[C@@H](Nc1nnccc1-c1nn[n-]n1)c1ccccc1 ZINC001588328171 1173030384 /nfs/dbraw/zinc/03/03/84/1173030384.db2.gz AFSQHIZCCHTNNV-GFCCVEGCSA-N -1 3 277.291 1.443 20 30 CDEDHM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC001588329421 1173032204 /nfs/dbraw/zinc/03/22/04/1173032204.db2.gz GDMQNICHQUSTLX-GFCCVEGCSA-N -1 3 299.334 1.263 20 30 CDEDHM C#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC001588329421 1173032211 /nfs/dbraw/zinc/03/22/11/1173032211.db2.gz GDMQNICHQUSTLX-GFCCVEGCSA-N -1 3 299.334 1.263 20 30 CDEDHM C#CCCc1noc(COc2cccc(-c3nnn[n-]3)c2)n1 ZINC001588346921 1173047493 /nfs/dbraw/zinc/04/74/93/1173047493.db2.gz BXIUFRXHJUNLOP-UHFFFAOYSA-N -1 3 296.290 1.395 20 30 CDEDHM C#CCCc1noc(COc2cccc(-c3nn[n-]n3)c2)n1 ZINC001588346921 1173047501 /nfs/dbraw/zinc/04/75/01/1173047501.db2.gz BXIUFRXHJUNLOP-UHFFFAOYSA-N -1 3 296.290 1.395 20 30 CDEDHM C(=NN[C@@H]1CCCSC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588381901 1173056431 /nfs/dbraw/zinc/05/64/31/1173056431.db2.gz WEKWQZVLRYARGA-GFCCVEGCSA-N -1 3 288.380 1.686 20 30 CDEDHM C(=NN[C@@H]1CCCSC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588381901 1173056438 /nfs/dbraw/zinc/05/64/38/1173056438.db2.gz WEKWQZVLRYARGA-GFCCVEGCSA-N -1 3 288.380 1.686 20 30 CDEDHM C=C[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588525066 1173071238 /nfs/dbraw/zinc/07/12/38/1173071238.db2.gz BFOWSWKBMRCFQE-SNVBAGLBSA-N -1 3 275.312 1.952 20 30 CDEDHM C=C[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588525066 1173071246 /nfs/dbraw/zinc/07/12/46/1173071246.db2.gz BFOWSWKBMRCFQE-SNVBAGLBSA-N -1 3 275.312 1.952 20 30 CDEDHM C=CCC(F)(F)C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588545696 1173080811 /nfs/dbraw/zinc/08/08/11/1173080811.db2.gz LAUPHGHDFCIDRV-UHFFFAOYSA-N -1 3 294.265 1.720 20 30 CDEDHM C=CCC(F)(F)C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588545696 1173080816 /nfs/dbraw/zinc/08/08/16/1173080816.db2.gz LAUPHGHDFCIDRV-UHFFFAOYSA-N -1 3 294.265 1.720 20 30 CDEDHM C=CCCC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588594781 1173086662 /nfs/dbraw/zinc/08/66/62/1173086662.db2.gz SZMMJDHSRMFRMZ-SNVBAGLBSA-N -1 3 286.339 1.736 20 30 CDEDHM C=CCCC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588594781 1173086668 /nfs/dbraw/zinc/08/66/68/1173086668.db2.gz SZMMJDHSRMFRMZ-SNVBAGLBSA-N -1 3 286.339 1.736 20 30 CDEDHM C=CCCONC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588617984 1173087896 /nfs/dbraw/zinc/08/78/96/1173087896.db2.gz LSDZVHVSJFVXFP-UHFFFAOYSA-N -1 3 293.714 1.758 20 30 CDEDHM C=CCCONC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588617984 1173087902 /nfs/dbraw/zinc/08/79/02/1173087902.db2.gz LSDZVHVSJFVXFP-UHFFFAOYSA-N -1 3 293.714 1.758 20 30 CDEDHM C=CCN(CC=C)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588632359 1173093828 /nfs/dbraw/zinc/09/38/28/1173093828.db2.gz VVUFZZRPCMUWFA-UHFFFAOYSA-N -1 3 298.350 1.479 20 30 CDEDHM C=CCN(CC=C)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588632359 1173093831 /nfs/dbraw/zinc/09/38/31/1173093831.db2.gz VVUFZZRPCMUWFA-UHFFFAOYSA-N -1 3 298.350 1.479 20 30 CDEDHM CC(=NNCC(C)(C)CO)c1ccc(-c2nnn[n-]2)s1 ZINC001588776574 1173105743 /nfs/dbraw/zinc/10/57/43/1173105743.db2.gz TYQDYSDZALJDSV-UHFFFAOYSA-N -1 3 294.384 1.260 20 30 CDEDHM C[C@H](C#N)N(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588934696 1173116784 /nfs/dbraw/zinc/11/67/84/1173116784.db2.gz RGICTTKGGLXBJK-QMTHXVAHSA-N -1 3 298.350 1.277 20 30 CDEDHM C[C@H](C#N)N(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588934696 1173116788 /nfs/dbraw/zinc/11/67/88/1173116788.db2.gz RGICTTKGGLXBJK-QMTHXVAHSA-N -1 3 298.350 1.277 20 30 CDEDHM C[C@@H](CC#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589788375 1173181054 /nfs/dbraw/zinc/18/10/54/1173181054.db2.gz XKHIHROXUMVXDR-ZETCQYMHSA-N -1 3 290.714 1.552 20 30 CDEDHM C[C@@H](CC#N)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589788375 1173181057 /nfs/dbraw/zinc/18/10/57/1173181057.db2.gz XKHIHROXUMVXDR-ZETCQYMHSA-N -1 3 290.714 1.552 20 30 CDEDHM C[C@H](Nc1ccnc(C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001589986967 1173223689 /nfs/dbraw/zinc/22/36/89/1173223689.db2.gz ZLDDWBQYQQNIAI-VIFPVBQESA-N -1 3 292.306 1.123 20 30 CDEDHM C[C@H](Nc1ccnc(C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001589986967 1173223694 /nfs/dbraw/zinc/22/36/94/1173223694.db2.gz ZLDDWBQYQQNIAI-VIFPVBQESA-N -1 3 292.306 1.123 20 30 CDEDHM CCC(=NN[C@H](C)CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359214 1173372687 /nfs/dbraw/zinc/37/26/87/1173372687.db2.gz UHVYSNUDRGLFRS-SNVBAGLBSA-N -1 3 283.339 1.873 20 30 CDEDHM CCC(=NN[C@H](C)CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359214 1173372693 /nfs/dbraw/zinc/37/26/93/1173372693.db2.gz UHVYSNUDRGLFRS-SNVBAGLBSA-N -1 3 283.339 1.873 20 30 CDEDHM CC[C@H](CC#N)NCc1cc(-c2nnn[n-]2)cnc1Cl ZINC001590419487 1173402066 /nfs/dbraw/zinc/40/20/66/1173402066.db2.gz MNGXHJNMKYWSSP-SNVBAGLBSA-N -1 3 291.746 1.697 20 30 CDEDHM CC[C@H](CC#N)NCc1cc(-c2nn[n-]n2)cnc1Cl ZINC001590419487 1173402069 /nfs/dbraw/zinc/40/20/69/1173402069.db2.gz MNGXHJNMKYWSSP-SNVBAGLBSA-N -1 3 291.746 1.697 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001590538565 1173455382 /nfs/dbraw/zinc/45/53/82/1173455382.db2.gz KRCXVBJPGJHARY-NSHDSACASA-N -1 3 284.323 1.597 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001590538565 1173455385 /nfs/dbraw/zinc/45/53/85/1173455385.db2.gz KRCXVBJPGJHARY-NSHDSACASA-N -1 3 284.323 1.597 20 30 CDEDHM CC[C@H](C#N)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590866215 1173534223 /nfs/dbraw/zinc/53/42/23/1173534223.db2.gz IXCVOOMHMASICV-GXFFZTMASA-N -1 3 298.350 1.464 20 30 CDEDHM CC[C@H](C#N)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590866215 1173534229 /nfs/dbraw/zinc/53/42/29/1173534229.db2.gz IXCVOOMHMASICV-GXFFZTMASA-N -1 3 298.350 1.464 20 30 CDEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1ccncc1C#N ZINC001591130811 1173574603 /nfs/dbraw/zinc/57/46/03/1173574603.db2.gz NLVBFUDAWLTAGU-UHFFFAOYSA-N -1 3 297.347 1.831 20 30 CDEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1ccncc1C#N ZINC001591130811 1173574608 /nfs/dbraw/zinc/57/46/08/1173574608.db2.gz NLVBFUDAWLTAGU-UHFFFAOYSA-N -1 3 297.347 1.831 20 30 CDEDHM CON1CCC(Nc2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001591468163 1173655980 /nfs/dbraw/zinc/65/59/80/1173655980.db2.gz IHLWXQOWMPCXNR-UHFFFAOYSA-N -1 3 299.338 1.176 20 30 CDEDHM CON1CCC(Nc2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001591468163 1173655984 /nfs/dbraw/zinc/65/59/84/1173655984.db2.gz IHLWXQOWMPCXNR-UHFFFAOYSA-N -1 3 299.338 1.176 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N[C@@H](C)CC#N ZINC001591841753 1173714586 /nfs/dbraw/zinc/71/45/86/1173714586.db2.gz CLGZFRSXVLWHMO-NSHDSACASA-N -1 3 298.350 1.444 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N[C@@H](C)CC#N ZINC001591841753 1173714588 /nfs/dbraw/zinc/71/45/88/1173714588.db2.gz CLGZFRSXVLWHMO-NSHDSACASA-N -1 3 298.350 1.444 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)OCCCC#N ZINC001591844597 1173715079 /nfs/dbraw/zinc/71/50/79/1173715079.db2.gz DHNQYBPJWVDZBL-UHFFFAOYSA-N -1 3 299.334 1.873 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)OCCCC#N ZINC001591844597 1173715084 /nfs/dbraw/zinc/71/50/84/1173715084.db2.gz DHNQYBPJWVDZBL-UHFFFAOYSA-N -1 3 299.334 1.873 20 30 CDEDHM Cc1cc(CNCC(C)(C)C#N)ccc1-c1nn[n-]n1 ZINC001591966731 1173758331 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ZINC001592704411 1173976806 /nfs/dbraw/zinc/97/68/06/1173976806.db2.gz JBTLVXMYRUUACK-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM C#CC[C@@H](CCOC)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001602696650 1175361574 /nfs/dbraw/zinc/36/15/74/1175361574.db2.gz CSMBDODTIYNHAH-LBPRGKRZSA-N -1 3 271.324 1.707 20 30 CDEDHM C#CC[C@H]1CCCN(c2cc(-c3nnn[n-]3)ccn2)C1 ZINC001602698937 1175363936 /nfs/dbraw/zinc/36/39/36/1175363936.db2.gz AWKRKMBHBUSMMF-NSHDSACASA-N -1 3 268.324 1.501 20 30 CDEDHM C#CC[C@H]1CCCN(c2cc(-c3nn[n-]n3)ccn2)C1 ZINC001602698937 1175363940 /nfs/dbraw/zinc/36/39/40/1175363940.db2.gz AWKRKMBHBUSMMF-NSHDSACASA-N -1 3 268.324 1.501 20 30 CDEDHM C#CCCOC(=O)Oc1cc(OC)cc(-c2nnn[n-]2)c1 ZINC001602714543 1175371519 /nfs/dbraw/zinc/37/15/19/1175371519.db2.gz UIQOPJGQDCRDGN-UHFFFAOYSA-N -1 3 288.263 1.414 20 30 CDEDHM C#CCCOC(=O)Oc1cc(OC)cc(-c2nn[n-]n2)c1 ZINC001602714543 1175371526 /nfs/dbraw/zinc/37/15/26/1175371526.db2.gz UIQOPJGQDCRDGN-UHFFFAOYSA-N -1 3 288.263 1.414 20 30 CDEDHM 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C=C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000897593474 621013541 /nfs/dbraw/zinc/01/35/41/621013541.db2.gz IOIRZQRTOXPJLM-LLVKDONJSA-N -1 3 284.323 1.442 20 30 CDEDHM O=C(CCc1cncnc1)N([O-])Cc1ccc(F)cc1 ZINC000900094927 622694560 /nfs/dbraw/zinc/69/45/60/622694560.db2.gz UNOLMISDKNWOGV-UHFFFAOYSA-N -1 3 275.283 1.966 20 30 CDEDHM C[C@@]1(C(=O)N([O-])Cc2ccc(F)cc2)CCOC1 ZINC000904173840 626210319 /nfs/dbraw/zinc/21/03/19/626210319.db2.gz QXNKJUFMDSRGRD-CYBMUJFWSA-N -1 3 253.273 1.970 20 30 CDEDHM O=C(CN1CCCCC1=O)N([O-])Cc1ccc(F)cc1 ZINC000904175009 626210764 /nfs/dbraw/zinc/21/07/64/626210764.db2.gz MQEWPFQOBQDGQH-UHFFFAOYSA-N -1 3 280.299 1.556 20 30 CDEDHM CCOC(=O)NCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904175807 626210800 /nfs/dbraw/zinc/21/08/00/626210800.db2.gz XDQFOIBVPCGYGO-UHFFFAOYSA-N -1 3 284.287 1.680 20 30 CDEDHM CCCCN([O-])C(=O)c1cnn(C)c1Br ZINC000904212956 626226223 /nfs/dbraw/zinc/22/62/23/626226223.db2.gz ZSGGDEKREWNLTP-UHFFFAOYSA-N -1 3 276.134 1.814 20 30 CDEDHM 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CCN(CC#N)CCOc1cccc(-c2nn[n-]n2)c1 ZINC001604273423 1163139935 /nfs/dbraw/zinc/13/99/35/1163139935.db2.gz IVNNCRIVTBEGAB-UHFFFAOYSA-N -1 3 272.312 1.091 20 30 CDEDHM C[C@]1(CS(=O)(=O)[N-]CC#N)CC1(Cl)Cl ZINC000826719430 1161939770 /nfs/dbraw/zinc/93/97/70/1161939770.db2.gz KREKVNWTNDWXBG-ZCFIWIBFSA-N -1 3 257.142 1.013 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H](C)CC#N ZINC001605169571 1163476642 /nfs/dbraw/zinc/47/66/42/1163476642.db2.gz LNXCRDSMZXIRGI-QMMMGPOBSA-N -1 3 286.295 1.364 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H](C)CC#N ZINC001605169571 1163476646 /nfs/dbraw/zinc/47/66/46/1163476646.db2.gz LNXCRDSMZXIRGI-QMMMGPOBSA-N -1 3 286.295 1.364 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCSCC1 ZINC001606379489 1163882265 /nfs/dbraw/zinc/88/22/65/1163882265.db2.gz AQPRAQYXWSGQNX-UHFFFAOYSA-N -1 3 272.337 1.292 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCSCC1 ZINC001606379489 1163882275 /nfs/dbraw/zinc/88/22/75/1163882275.db2.gz AQPRAQYXWSGQNX-UHFFFAOYSA-N -1 3 272.337 1.292 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccns1 ZINC001606380311 1163883388 /nfs/dbraw/zinc/88/33/88/1163883388.db2.gz UIUPVFURYLPVIN-UHFFFAOYSA-N -1 3 283.320 1.807 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccns1 ZINC001606380311 1163883395 /nfs/dbraw/zinc/88/33/95/1163883395.db2.gz UIUPVFURYLPVIN-UHFFFAOYSA-N -1 3 283.320 1.807 20 30 CDEDHM C=C[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001609052676 1164745814 /nfs/dbraw/zinc/74/58/14/1164745814.db2.gz MNNQUCJTDFSBQG-NSHDSACASA-N -1 3 256.313 1.807 20 30 CDEDHM C=C[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001609052676 1164745822 /nfs/dbraw/zinc/74/58/22/1164745822.db2.gz MNNQUCJTDFSBQG-NSHDSACASA-N -1 3 256.313 1.807 20 30 CDEDHM C=CCCCNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609054599 1164747727 /nfs/dbraw/zinc/74/77/27/1164747727.db2.gz BZQJECFQPQLDQW-UHFFFAOYSA-N -1 3 271.324 1.492 20 30 CDEDHM C=CCCCNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609054599 1164747735 /nfs/dbraw/zinc/74/77/35/1164747735.db2.gz BZQJECFQPQLDQW-UHFFFAOYSA-N -1 3 271.324 1.492 20 30 CDEDHM C[C@]1(Cn2cnc(C#N)c2-c2nnn[n-]2)CC1(Cl)Cl ZINC001609150311 1164783419 /nfs/dbraw/zinc/78/34/19/1164783419.db2.gz VNWOOANIBAYLJC-SECBINFHSA-N -1 3 298.137 1.519 20 30 CDEDHM CC1(C#N)CCN(C(=O)c2cnccc2-c2nnn[n-]2)CC1 ZINC001609142274 1164790103 /nfs/dbraw/zinc/79/01/03/1164790103.db2.gz RNJVDSMUWGTZID-UHFFFAOYSA-N -1 3 297.322 1.028 20 30 CDEDHM CC1(C#N)CCN(C(=O)c2cnccc2-c2nn[n-]n2)CC1 ZINC001609142274 1164790110 /nfs/dbraw/zinc/79/01/10/1164790110.db2.gz RNJVDSMUWGTZID-UHFFFAOYSA-N -1 3 297.322 1.028 20 30 CDEDHM C[C@@H]1C[C@@H](CNc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001609157507 1164805364 /nfs/dbraw/zinc/80/53/64/1164805364.db2.gz TUDLBKKNLWZRDD-MNOVXSKESA-N -1 3 298.350 1.965 20 30 CDEDHM C[C@@H]1C[C@@H](CNc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001609157507 1164805367 /nfs/dbraw/zinc/80/53/67/1164805367.db2.gz TUDLBKKNLWZRDD-MNOVXSKESA-N -1 3 298.350 1.965 20 30 CDEDHM CN(C[C@@H]1CCC[C@@H]1O)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001609273981 1164877313 /nfs/dbraw/zinc/87/73/13/1164877313.db2.gz 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1173029288 /nfs/dbraw/zinc/02/92/88/1173029288.db2.gz GQAZREIILLRGOD-SNVBAGLBSA-N -1 3 282.303 1.463 20 30 CDEDHM C#C[C@@H](C)OC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588326191 1173029295 /nfs/dbraw/zinc/02/92/95/1173029295.db2.gz GQAZREIILLRGOD-SNVBAGLBSA-N -1 3 282.303 1.463 20 30 CDEDHM C#CC[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)C1 ZINC001588335544 1173041470 /nfs/dbraw/zinc/04/14/70/1173041470.db2.gz QMWJNMUMUZTDRI-LLVKDONJSA-N -1 3 298.350 1.081 20 30 CDEDHM C#CC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC001588335544 1173041478 /nfs/dbraw/zinc/04/14/78/1173041478.db2.gz QMWJNMUMUZTDRI-LLVKDONJSA-N -1 3 298.350 1.081 20 30 CDEDHM C#CCOCCNc1cccc(C(F)F)c1-c1nnn[n-]1 ZINC001588363616 1173054769 /nfs/dbraw/zinc/05/47/69/1173054769.db2.gz QFTTYRVAKZVXJW-UHFFFAOYSA-N -1 3 293.277 1.866 20 30 CDEDHM C#CCOCCNc1cccc(C(F)F)c1-c1nn[n-]n1 ZINC001588363616 1173054772 /nfs/dbraw/zinc/05/47/72/1173054772.db2.gz QFTTYRVAKZVXJW-UHFFFAOYSA-N -1 3 293.277 1.866 20 30 CDEDHM C=CC(C)(C)NC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588488944 1173070422 /nfs/dbraw/zinc/07/04/22/1173070422.db2.gz RJUGMCIOOOUOBV-UHFFFAOYSA-N -1 3 272.312 1.265 20 30 CDEDHM C=CC(C)(C)NC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588488944 1173070430 /nfs/dbraw/zinc/07/04/30/1173070430.db2.gz RJUGMCIOOOUOBV-UHFFFAOYSA-N -1 3 272.312 1.265 20 30 CDEDHM C=C[C@H](Sc1cc(-c2nnn[n-]2)ccn1)C(=O)OC ZINC001588525006 1173070760 /nfs/dbraw/zinc/07/07/60/1173070760.db2.gz ABOUDPSGSIDVCZ-QMMMGPOBSA-N -1 3 277.309 1.081 20 30 CDEDHM C=C[C@H](Sc1cc(-c2nn[n-]n2)ccn1)C(=O)OC ZINC001588525006 1173070767 /nfs/dbraw/zinc/07/07/67/1173070767.db2.gz ABOUDPSGSIDVCZ-QMMMGPOBSA-N -1 3 277.309 1.081 20 30 CDEDHM C=C[C@H](Sc1ccc(-c2nnn[n-]2)c(C)c1)C(=O)OC ZINC001588525434 1173072940 /nfs/dbraw/zinc/07/29/40/1173072940.db2.gz HKRJYRQZXFPAPM-NSHDSACASA-N -1 3 290.348 1.995 20 30 CDEDHM C=C[C@H](Sc1ccc(-c2nn[n-]n2)c(C)c1)C(=O)OC ZINC001588525434 1173072944 /nfs/dbraw/zinc/07/29/44/1173072944.db2.gz HKRJYRQZXFPAPM-NSHDSACASA-N -1 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C[C@H]1CN([O-])C(=O)[C@H]1Nc1cccc(C(=O)N(C)C)c1 ZINC001171365207 932871917 /nfs/dbraw/zinc/87/19/17/932871917.db2.gz PXKSOFLSWMRYAF-CABZTGNLSA-N -1 3 277.324 1.036 20 30 CDEDHM C#CCN1CCC(NC(=O)c2ccc(F)c([O-])c2)CC1 ZINC001155874421 937684585 /nfs/dbraw/zinc/68/45/85/937684585.db2.gz YDKMTOPCNBTQQV-UHFFFAOYSA-N -1 3 276.311 1.359 20 30 CDEDHM NC[C@]1(F)CCCN(C(=O)CCC(=O)C2=CC=C[CH]2)CC1 ZINC001157742620 938539217 /nfs/dbraw/zinc/53/92/17/938539217.db2.gz CRRVZZVYUYUMRY-INIZCTEOSA-N -1 3 293.362 1.716 20 30 CDEDHM COc1nc(NCc2ncccc2[O-])ncc1C#N ZINC001158771342 938662909 /nfs/dbraw/zinc/66/29/09/938662909.db2.gz ZRSVLXSOFVCMJR-UHFFFAOYSA-N -1 3 257.253 1.070 20 30 CDEDHM Cc1ncc(Nc2nc(C)c(C)cc2C#N)c(=O)[n-]1 ZINC001162300803 938974629 /nfs/dbraw/zinc/97/46/29/938974629.db2.gz LUTXEHITYZCDND-LLVKDONJSA-N -1 3 255.281 1.380 20 30 CDEDHM N#Cc1ccc(Cl)nc1NCCCc1c[n-][nH]c1=O ZINC001164366876 939464972 /nfs/dbraw/zinc/46/49/72/939464972.db2.gz SGZOTDZJDLJYSN-VIFPVBQESA-N -1 3 277.715 1.531 20 30 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C#CC[C@H](NCc1cnc2ccccc2n1)C(=O)[O-] ZINC001588423731 983454173 /nfs/dbraw/zinc/45/41/73/983454173.db2.gz OUWBLBVTHYBOCF-ZDUSSCGKSA-N -1 3 255.277 1.196 20 30 CDEDHM C#CC[C@H]1CCN(Cc2snc(OC)c2C(=O)[O-])C1 ZINC001588433714 983467945 /nfs/dbraw/zinc/46/79/45/983467945.db2.gz CCJHAKQYRGCXAO-VIFPVBQESA-N -1 3 280.349 1.695 20 30 CDEDHM C#CCN(C)CCCNC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001588464160 983493370 /nfs/dbraw/zinc/49/33/70/983493370.db2.gz WVKSTXPJSJNMGW-UHFFFAOYSA-N -1 3 295.364 1.523 20 30 CDEDHM C#CCN1CCC(C(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001588471481 983506787 /nfs/dbraw/zinc/50/67/87/983506787.db2.gz QMSZKKWZZRWCMA-UHFFFAOYSA-N -1 3 287.319 1.064 20 30 CDEDHM C=C(C)C[C@@H](CO)NCc1ccc(C(=O)[O-])cc1F ZINC001588536714 983595310 /nfs/dbraw/zinc/59/53/10/983595310.db2.gz DDUXNKSMHMXNAS-LBPRGKRZSA-N -1 3 267.300 1.941 20 30 CDEDHM C=CC[C@@H](NCc1nn(C)cc1C(F)F)C(=O)[O-] ZINC001588750695 984073419 /nfs/dbraw/zinc/07/34/19/984073419.db2.gz YIZWRSGLYUDKSI-MRVPVSSYSA-N -1 3 259.256 1.477 20 30 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C=CCOC[C@H](NCc1cc(F)ccc1N(C)C)C(=O)[O-] ZINC000901809462 618262463 /nfs/dbraw/zinc/26/24/63/618262463.db2.gz PDRGLWVOPVYVFX-ZDUSSCGKSA-N -1 3 296.342 1.637 20 30 CDEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000867321841 618694899 /nfs/dbraw/zinc/69/48/99/618694899.db2.gz YERXUYXFOXOKNB-LLVKDONJSA-N -1 3 272.395 1.786 20 30 CDEDHM O=C1[C@H](NCc2scnc2C2CC2)CCCN1[O-] ZINC000895160667 619378643 /nfs/dbraw/zinc/37/86/43/619378643.db2.gz OFDSZVNUYPRJQH-SECBINFHSA-N -1 3 267.354 1.490 20 30 CDEDHM C#CCO[N-]C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897811645 621114978 /nfs/dbraw/zinc/11/49/78/621114978.db2.gz IOAXIEHANWSTQS-AWEZNQCLSA-N -1 3 276.336 1.415 20 30 CDEDHM C=CCOCC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC000898096958 621333846 /nfs/dbraw/zinc/33/38/46/621333846.db2.gz BUMNRARBDFGUFK-UHFFFAOYSA-N -1 3 281.312 1.506 20 30 CDEDHM C=CCOCC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC000898096958 621333848 /nfs/dbraw/zinc/33/38/48/621333848.db2.gz BUMNRARBDFGUFK-UHFFFAOYSA-N -1 3 281.312 1.506 20 30 CDEDHM C=C(C)CO[N-]C(=O)CCCN(C)C(=O)OCC ZINC000898280946 621456717 /nfs/dbraw/zinc/45/67/17/621456717.db2.gz LICVQKYMPXCSSE-UHFFFAOYSA-N -1 3 258.318 1.479 20 30 CDEDHM CC(=O)N[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)C(C)C ZINC000904172824 626209892 /nfs/dbraw/zinc/20/98/92/626209892.db2.gz KRZIXEFWBAQNPN-CYBMUJFWSA-N -1 3 282.315 1.704 20 30 CDEDHM O=C([C@@H]1C[C@]12CCOC2)N([O-])Cc1ccc(F)cc1 ZINC000904173686 626210061 /nfs/dbraw/zinc/21/00/61/626210061.db2.gz OOKTVLIXIGQQPV-JSGCOSHPSA-N -1 3 265.284 1.970 20 30 CDEDHM Cc1c(CC(=O)N([O-])Cc2ccc(F)cc2)cnn1C ZINC000904177878 626211428 /nfs/dbraw/zinc/21/14/28/626211428.db2.gz RCXBLTRQLZBKGV-UHFFFAOYSA-N -1 3 277.299 1.828 20 30 CDEDHM CCCCN([O-])C(=O)[C@H](CCSC)NC(=O)CC ZINC000904209334 626213742 /nfs/dbraw/zinc/21/37/42/626213742.db2.gz ZLFROFKXYKQPDP-JTQLQIEISA-N -1 3 276.402 1.652 20 30 CDEDHM C=CCN(CC(=O)[O-])C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000909201179 628564952 /nfs/dbraw/zinc/56/49/52/628564952.db2.gz CMAISTSOHLQJSA-GFCCVEGCSA-N -1 3 297.399 1.389 20 30 CDEDHM CC(C)(C)C#CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000911855686 629593605 /nfs/dbraw/zinc/59/36/05/629593605.db2.gz VTNDIBYDRVEUCM-UHFFFAOYSA-N -1 3 265.338 1.137 20 30 CDEDHM CCC[C@](C)([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC ZINC000913897649 630869095 /nfs/dbraw/zinc/86/90/95/630869095.db2.gz WEMKXGZTOWRCDX-LBPRGKRZSA-N -1 3 290.385 1.187 20 30 CDEDHM CCOC(=O)[C@H](C#N)[N-]c1cccc(C)c1[N+](=O)[O-] ZINC001170373483 1162351030 /nfs/dbraw/zinc/35/10/30/1162351030.db2.gz KPDOOLUYOAPJKO-JTQLQIEISA-N -1 3 263.253 1.770 20 30 CDEDHM C[C@@H](CC(C)(C)CC(=O)[O-])[NH2+][C@@H]1CCCN([O-])C1=O ZINC001604123888 1163097284 /nfs/dbraw/zinc/09/72/84/1163097284.db2.gz NSXWDYDHYZVOLC-VHSXEESVSA-N -1 3 272.345 1.236 20 30 CDEDHM CCN(CC#N)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001604273788 1163139516 /nfs/dbraw/zinc/13/95/16/1163139516.db2.gz RLOCQQSDUMKEAJ-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM CCN(CC#N)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001604273788 1163139521 /nfs/dbraw/zinc/13/95/21/1163139521.db2.gz 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/nfs/dbraw/zinc/63/75/34/1163637534.db2.gz USOACVOKYGRRRI-NSHDSACASA-N -1 3 270.340 1.909 20 30 CDEDHM N#C[C@H]1CCCN(Cc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001606344991 1163867750 /nfs/dbraw/zinc/86/77/50/1163867750.db2.gz DLVFORLNQAENBP-SNVBAGLBSA-N -1 3 286.314 1.741 20 30 CDEDHM N#C[C@H]1CCCN(Cc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001606344991 1163867753 /nfs/dbraw/zinc/86/77/53/1163867753.db2.gz DLVFORLNQAENBP-SNVBAGLBSA-N -1 3 286.314 1.741 20 30 CDEDHM N#Cc1cc(NC(=O)c2cccnc2)ccc1-c1nnn[n-]1 ZINC001606361082 1163878816 /nfs/dbraw/zinc/87/88/16/1163878816.db2.gz FQVWLYFFHDVENO-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1cc(NC(=O)c2cccnc2)ccc1-c1nn[n-]n1 ZINC001606361082 1163878822 /nfs/dbraw/zinc/87/88/22/1163878822.db2.gz FQVWLYFFHDVENO-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1cc(NC(=O)[C@H]2CC23CC3)ccc1-c1nnn[n-]1 ZINC001606361386 1163879191 /nfs/dbraw/zinc/87/91/91/1163879191.db2.gz PNUWOXFIGYMXJU-LLVKDONJSA-N -1 3 280.291 1.477 20 30 CDEDHM N#Cc1cc(NC(=O)[C@H]2CC23CC3)ccc1-c1nn[n-]n1 ZINC001606361386 1163879197 /nfs/dbraw/zinc/87/91/97/1163879197.db2.gz PNUWOXFIGYMXJU-LLVKDONJSA-N -1 3 280.291 1.477 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@H]2CC23CC3)cc1-c1nnn[n-]1 ZINC001606372812 1163880657 /nfs/dbraw/zinc/88/06/57/1163880657.db2.gz NCKXZGSYUOLHQP-LLVKDONJSA-N -1 3 280.291 1.477 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@H]2CC23CC3)cc1-c1nn[n-]n1 ZINC001606372812 1163880662 /nfs/dbraw/zinc/88/06/62/1163880662.db2.gz NCKXZGSYUOLHQP-LLVKDONJSA-N -1 3 280.291 1.477 20 30 CDEDHM C#Cc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC001188739558 1164369921 /nfs/dbraw/zinc/36/99/21/1164369921.db2.gz NGSHDHNVCQEACK-UHFFFAOYSA-N -1 3 252.273 1.699 20 30 CDEDHM Cn1cc(CCCN2CCC(C#N)(C(=O)[O-])CC2)cn1 ZINC001608108266 1164411132 /nfs/dbraw/zinc/41/11/32/1164411132.db2.gz FEDDWYJMQQFRQR-UHFFFAOYSA-N -1 3 276.340 1.043 20 30 CDEDHM N#Cc1cccc(CNc2cc(-c3nnn[n-]3)cnn2)c1 ZINC001581875095 1172626504 /nfs/dbraw/zinc/62/65/04/1172626504.db2.gz VIGNDIXRVLUROA-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1cccc(CNc2cc(-c3nn[n-]n3)cnn2)c1 ZINC001581875095 1172626508 /nfs/dbraw/zinc/62/65/08/1172626508.db2.gz VIGNDIXRVLUROA-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM C#CC[C@@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC001588336711 1173039063 /nfs/dbraw/zinc/03/90/63/1173039063.db2.gz DVJUNMFJXPCPPJ-LLVKDONJSA-N -1 3 294.362 1.600 20 30 CDEDHM C#CC[C@@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC001588336711 1173039071 /nfs/dbraw/zinc/03/90/71/1173039071.db2.gz DVJUNMFJXPCPPJ-LLVKDONJSA-N -1 3 294.362 1.600 20 30 CDEDHM C#CCN(C)c1ncc(Br)cc1-c1nnn[n-]1 ZINC001588349113 1173046003 /nfs/dbraw/zinc/04/60/03/1173046003.db2.gz CQQUQHHXDQUSQT-UHFFFAOYSA-N -1 3 293.128 1.094 20 30 CDEDHM C#CCN(C)c1ncc(Br)cc1-c1nn[n-]n1 ZINC001588349113 1173046008 /nfs/dbraw/zinc/04/60/08/1173046008.db2.gz CQQUQHHXDQUSQT-UHFFFAOYSA-N -1 3 293.128 1.094 20 30 CDEDHM C#CCOCSc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588363602 1173053679 /nfs/dbraw/zinc/05/36/79/1173053679.db2.gz PLOQOCHOHOKTNL-UHFFFAOYSA-N -1 3 260.322 1.875 20 30 CDEDHM C#CCOCSc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588363602 1173053685 /nfs/dbraw/zinc/05/36/85/1173053685.db2.gz PLOQOCHOHOKTNL-UHFFFAOYSA-N -1 3 260.322 1.875 20 30 CDEDHM C=C[C@@H](C)NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588515878 1173071877 /nfs/dbraw/zinc/07/18/77/1173071877.db2.gz JSLVLEAVNODNBZ-MRVPVSSYSA-N -1 3 282.307 1.652 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001588728633 1173101053 /nfs/dbraw/zinc/10/10/53/1173101053.db2.gz UEGPNQFUIBWMQF-IUCAKERBSA-N -1 3 292.368 1.635 20 30 CDEDHM CC#CCCn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC001588746056 1173101803 /nfs/dbraw/zinc/10/18/03/1173101803.db2.gz LPPVUMUENVHMFG-UHFFFAOYSA-N -1 3 293.334 1.847 20 30 CDEDHM CC#CCCn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC001588746056 1173101806 /nfs/dbraw/zinc/10/18/06/1173101806.db2.gz LPPVUMUENVHMFG-UHFFFAOYSA-N -1 3 293.334 1.847 20 30 CDEDHM CC(C)(C#N)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001589035955 1173119492 /nfs/dbraw/zinc/11/94/92/1173119492.db2.gz DXWHODPQCYMTDM-UHFFFAOYSA-N -1 3 290.714 1.552 20 30 CDEDHM CC(C)(C#N)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001589035955 1173119495 /nfs/dbraw/zinc/11/94/95/1173119495.db2.gz DXWHODPQCYMTDM-UHFFFAOYSA-N -1 3 290.714 1.552 20 30 CDEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(-n2cnc(C#N)n2)n1 ZINC001589214795 1173130907 /nfs/dbraw/zinc/13/09/07/1173130907.db2.gz BMENFQNLDPRPSI-UHFFFAOYSA-N -1 3 295.310 1.012 20 30 CDEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(-n2cnc(C#N)n2)n1 ZINC001589214795 1173130911 /nfs/dbraw/zinc/13/09/11/1173130911.db2.gz BMENFQNLDPRPSI-UHFFFAOYSA-N -1 3 295.310 1.012 20 30 CDEDHM CC(C)(NC(=O)C#CC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589312745 1173138062 /nfs/dbraw/zinc/13/80/62/1173138062.db2.gz QGFXGCMVRZSTIQ-UHFFFAOYSA-N -1 3 295.346 1.631 20 30 CDEDHM CC(C)(NC(=O)C#CC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589312745 1173138065 /nfs/dbraw/zinc/13/80/65/1173138065.db2.gz QGFXGCMVRZSTIQ-UHFFFAOYSA-N -1 3 295.346 1.631 20 30 CDEDHM CC(C)[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589519557 1173153015 /nfs/dbraw/zinc/15/30/15/1173153015.db2.gz ZMHZXVRCSNCPKE-CYBMUJFWSA-N -1 3 298.350 1.600 20 30 CDEDHM CC(C)[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589519557 1173153019 /nfs/dbraw/zinc/15/30/19/1173153019.db2.gz ZMHZXVRCSNCPKE-CYBMUJFWSA-N -1 3 298.350 1.600 20 30 CDEDHM C[C@H]([NH2+]CCCCC#N)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960860 1173213621 /nfs/dbraw/zinc/21/36/21/1173213621.db2.gz HTIVWMHLGSZANS-JTQLQIEISA-N -1 3 286.339 1.917 20 30 CDEDHM CCC(=NN(C)C[C@@H](C)O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359121 1173372225 /nfs/dbraw/zinc/37/22/25/1173372225.db2.gz OEWGSAKCNZHBCC-SNVBAGLBSA-N -1 3 288.355 1.293 20 30 CDEDHM CCC(=NN(C)C[C@@H](C)O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359121 1173372231 /nfs/dbraw/zinc/37/22/31/1173372231.db2.gz OEWGSAKCNZHBCC-SNVBAGLBSA-N -1 3 288.355 1.293 20 30 CDEDHM CC[C@H](C#N)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001590367877 1173376134 /nfs/dbraw/zinc/37/61/34/1173376134.db2.gz LUHKVNQKMGPKQX-MRVPVSSYSA-N -1 3 276.325 1.302 20 30 CDEDHM CC[C@H](C#N)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001590367877 1173376143 /nfs/dbraw/zinc/37/61/43/1173376143.db2.gz LUHKVNQKMGPKQX-MRVPVSSYSA-N -1 3 276.325 1.302 20 30 CDEDHM CC[C@H](C#N)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590866216 1173533367 /nfs/dbraw/zinc/53/33/67/1173533367.db2.gz IXCVOOMHMASICV-ZWNOBZJWSA-N -1 3 298.350 1.464 20 30 CDEDHM CC[C@H](C#N)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590866216 1173533371 /nfs/dbraw/zinc/53/33/71/1173533371.db2.gz IXCVOOMHMASICV-ZWNOBZJWSA-N -1 3 298.350 1.464 20 30 CDEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCC[C@H]1C#N ZINC001590992136 1173558136 /nfs/dbraw/zinc/55/81/36/1173558136.db2.gz GBWQEOBBPAZJKM-STQMWFEESA-N -1 3 296.334 1.631 20 30 CDEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCC[C@H]1C#N ZINC001590992136 1173558138 /nfs/dbraw/zinc/55/81/38/1173558138.db2.gz GBWQEOBBPAZJKM-STQMWFEESA-N -1 3 296.334 1.631 20 30 CDEDHM CN(Cc1ccncc1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591150365 1173582377 /nfs/dbraw/zinc/58/23/77/1173582377.db2.gz YCHKQADAKNISTQ-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM CN(Cc1ccncc1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591150365 1173582383 /nfs/dbraw/zinc/58/23/83/1173582383.db2.gz YCHKQADAKNISTQ-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCCC#N ZINC001591443419 1173652490 /nfs/dbraw/zinc/65/24/90/1173652490.db2.gz FLJNXWIVCFBLKP-UHFFFAOYSA-N -1 3 288.311 1.217 20 30 CDEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCCC#N ZINC001591443419 1173652492 /nfs/dbraw/zinc/65/24/92/1173652492.db2.gz FLJNXWIVCFBLKP-UHFFFAOYSA-N -1 3 288.311 1.217 20 30 CDEDHM Cc1cc(C)c(-c2nnn[n-]2)c(NCC2(C#N)CC2)n1 ZINC001591942109 1173753487 /nfs/dbraw/zinc/75/34/87/1173753487.db2.gz CUURYFBFAXHLBW-UHFFFAOYSA-N -1 3 269.312 1.594 20 30 CDEDHM Cc1cc(Cn2c(C)nc(C#N)c2-c2nnn[n-]2)sn1 ZINC001591978132 1173764157 /nfs/dbraw/zinc/76/41/57/1173764157.db2.gz VXNZESIMRDLMFA-UHFFFAOYSA-N -1 3 286.324 1.057 20 30 CDEDHM Cc1cc(Cn2c(C)nc(C#N)c2-c2nn[n-]n2)sn1 ZINC001591978132 1173764161 /nfs/dbraw/zinc/76/41/61/1173764161.db2.gz VXNZESIMRDLMFA-UHFFFAOYSA-N -1 3 286.324 1.057 20 30 CDEDHM N#CCCCC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001592674948 1173965249 /nfs/dbraw/zinc/96/52/49/1173965249.db2.gz NGYATZPILMXKBW-UHFFFAOYSA-N -1 3 282.307 1.450 20 30 CDEDHM N#CCCCC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592674948 1173965252 /nfs/dbraw/zinc/96/52/52/1173965252.db2.gz NGYATZPILMXKBW-UHFFFAOYSA-N -1 3 282.307 1.450 20 30 CDEDHM N#Cc1ncn(Cc2ccc3c(c2)COC3)c1-c1nnn[n-]1 ZINC001592710488 1173979709 /nfs/dbraw/zinc/97/97/09/1173979709.db2.gz ZZVFHFIIHWEAHL-UHFFFAOYSA-N -1 3 293.290 1.013 20 30 CDEDHM O=C(NO)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001593166358 1174027406 /nfs/dbraw/zinc/02/74/06/1174027406.db2.gz IIUIAKHSKQCIAU-UHFFFAOYSA-N -1 3 298.262 1.173 20 30 CDEDHM O=C(NO)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001593166358 1174027411 /nfs/dbraw/zinc/02/74/11/1174027411.db2.gz IIUIAKHSKQCIAU-UHFFFAOYSA-N -1 3 298.262 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ZINC000188767518 264241041 /nfs/dbraw/zinc/24/10/41/264241041.db2.gz ORCRQECTMLBJCT-ZDUSSCGKSA-N -1 3 250.298 1.955 20 30 CDEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(CF)CCC1 ZINC000335485333 424616106 /nfs/dbraw/zinc/61/61/06/424616106.db2.gz JKBVOGRQXMRSEF-UHFFFAOYSA-N -1 3 286.303 1.868 20 30 CDEDHM C=CC[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000116987573 267196391 /nfs/dbraw/zinc/19/63/91/267196391.db2.gz IFEGHRNSULNIRA-MRVPVSSYSA-N -1 3 258.277 1.265 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(F)F ZINC000574935736 295079151 /nfs/dbraw/zinc/07/91/51/295079151.db2.gz WSRJBIMPNAGXRS-UHFFFAOYSA-N -1 3 297.305 1.980 20 30 CDEDHM CC(C)(C#N)c1ccc(NC(=O)c2nc[n-]n2)cc1 ZINC000095040935 327962101 /nfs/dbraw/zinc/96/21/01/327962101.db2.gz MEPKZYMKYJSKCH-UHFFFAOYSA-N -1 3 255.281 1.858 20 30 CDEDHM COC(=O)c1cnc(S[C@@H]2CC[C@@H](C#N)C2)[n-]1 ZINC000287497780 328251546 /nfs/dbraw/zinc/25/15/46/328251546.db2.gz KDLJPBUZABVHJM-HTQZYQBOSA-N -1 3 251.311 1.981 20 30 CDEDHM CCOCCCC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000388445780 323791186 /nfs/dbraw/zinc/79/11/86/323791186.db2.gz KWHNQESBSQKEQR-UHFFFAOYSA-N -1 3 288.394 1.715 20 30 CDEDHM C=CCCS(=O)(=O)[N-]c1ccccc1N(C)C(C)=O ZINC000120228591 330386455 /nfs/dbraw/zinc/38/64/55/330386455.db2.gz ICQKVZSRHXYDOI-UHFFFAOYSA-N -1 3 282.365 1.987 20 30 CDEDHM C=CC[C@H](CO)CNC(=O)c1ccc(O)cc1[O-] ZINC000436624836 330681762 /nfs/dbraw/zinc/68/17/62/330681762.db2.gz COVFIZUWFXVHFM-VIFPVBQESA-N -1 3 251.282 1.012 20 30 CDEDHM C=CCC[C@@H](NC(=O)c1csc(=O)[n-]1)C(=O)OCC ZINC000456599160 331196092 /nfs/dbraw/zinc/19/60/92/331196092.db2.gz BYCUOCFURRBHPK-MRVPVSSYSA-N -1 3 284.337 1.476 20 30 CDEDHM C#CCN(C)CCCN=c1[n-]nc(C2CCOCC2)s1 ZINC000491103874 332150434 /nfs/dbraw/zinc/15/04/34/332150434.db2.gz QVLUKDKHYDEZIW-UHFFFAOYSA-N -1 3 294.424 1.221 20 30 CDEDHM C#C[C@@H]1COCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000491439007 332211405 /nfs/dbraw/zinc/21/14/05/332211405.db2.gz HNBJXBVQIZQYED-CYBMUJFWSA-N -1 3 291.322 1.715 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000491517585 332228459 /nfs/dbraw/zinc/22/84/59/332228459.db2.gz ZHKVCHBZXVKVEV-VIFPVBQESA-N -1 3 260.272 1.629 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000491517585 332228461 /nfs/dbraw/zinc/22/84/61/332228461.db2.gz ZHKVCHBZXVKVEV-VIFPVBQESA-N -1 3 260.272 1.629 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000491517585 332228462 /nfs/dbraw/zinc/22/84/62/332228462.db2.gz ZHKVCHBZXVKVEV-VIFPVBQESA-N -1 3 260.272 1.629 20 30 CDEDHM C#C[C@H](CCC)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000491657792 332268993 /nfs/dbraw/zinc/26/89/93/332268993.db2.gz KSYYEGAGKQHRBG-LLVKDONJSA-N -1 3 261.325 1.260 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000491657796 332269016 /nfs/dbraw/zinc/26/90/16/332269016.db2.gz KSYYEGAGKQHRBG-NSHDSACASA-N -1 3 261.325 1.260 20 30 CDEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000491732597 332313972 /nfs/dbraw/zinc/31/39/72/332313972.db2.gz JUKHMRXQWUUYFZ-QMMMGPOBSA-N -1 3 288.350 1.655 20 30 CDEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000491784166 332347615 /nfs/dbraw/zinc/34/76/15/332347615.db2.gz RZKBARKHUXGCEI-SSDOTTSWSA-N -1 3 277.267 1.794 20 30 CDEDHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)C#N)cc1[O-] ZINC000491946922 332376716 /nfs/dbraw/zinc/37/67/16/332376716.db2.gz DDZQQOSSESWTCZ-ZETCQYMHSA-N -1 3 264.237 1.639 20 30 CDEDHM CCC[C@H](C#N)[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000517728479 333106625 /nfs/dbraw/zinc/10/66/25/333106625.db2.gz FXUBCXBPFDFTOA-NEPJUHHUSA-N -1 3 276.402 1.659 20 30 CDEDHM Cc1ccc(C(=O)NCCC(=O)NC[C@H](C)C#N)c([O-])c1 ZINC000176079257 335234943 /nfs/dbraw/zinc/23/49/43/335234943.db2.gz GTSDFZFDYIRFAR-LLVKDONJSA-N -1 3 289.335 1.096 20 30 CDEDHM CC(=O)c1ccc(C(=O)NC2(C#N)CCOCC2)cc1[O-] ZINC000668810358 482342775 /nfs/dbraw/zinc/34/27/75/482342775.db2.gz CHBJYBRQNOXZOF-UHFFFAOYSA-N -1 3 288.303 1.397 20 30 CDEDHM CS(=O)(=O)c1cc(C(=O)[N-]O)c(Cl)cc1Cl ZINC000671996617 482475812 /nfs/dbraw/zinc/47/58/12/482475812.db2.gz UEURTKUZYQZPBC-UHFFFAOYSA-N -1 3 284.120 1.516 20 30 CDEDHM O=C(N[O-])[C@H]1CCN(Cc2ccccc2)CC1(F)F ZINC000671995067 483639598 /nfs/dbraw/zinc/63/95/98/483639598.db2.gz DNKPDGDXSPUSFM-LLVKDONJSA-N -1 3 270.279 1.649 20 30 CDEDHM O=C(CCN1C(=O)CCc2cc(F)ccc21)N[O-] ZINC000671995916 483640098 /nfs/dbraw/zinc/64/00/98/483640098.db2.gz MUWAOYBVTMUANK-UHFFFAOYSA-N -1 3 252.245 1.000 20 30 CDEDHM CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001079437012 1161558940 /nfs/dbraw/zinc/55/89/40/1161558940.db2.gz JRPIKTJGXGEIKJ-TZMCWYRMSA-N -1 3 272.348 1.466 20 30 CDEDHM Cc1ccc([O-])c(NC(=O)[C@@H]2COCCN2C)n1 ZINC000329068766 534198368 /nfs/dbraw/zinc/19/83/68/534198368.db2.gz XSSSEXVQVOOREN-VIFPVBQESA-N -1 3 251.286 1.014 20 30 CDEDHM Cn1cnc2c1nccc2C([O-])=C(C#N)c1ccccn1 ZINC000347760304 534810172 /nfs/dbraw/zinc/81/01/72/534810172.db2.gz OBHLXALUENVHOP-NSHDSACASA-N -1 3 277.287 1.853 20 30 CDEDHM C=CCC1(C(=O)N2CCc3nc[n-]c(=O)c3C2)CCC1 ZINC000330042962 527049129 /nfs/dbraw/zinc/04/91/29/527049129.db2.gz DYNYOXGIDSIZJB-UHFFFAOYSA-N -1 3 273.336 1.813 20 30 CDEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000353138299 527163697 /nfs/dbraw/zinc/16/36/97/527163697.db2.gz CEQOVBROPGNIAW-NSHDSACASA-N -1 3 271.386 1.844 20 30 CDEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC ZINC000351990984 527569504 /nfs/dbraw/zinc/56/95/04/527569504.db2.gz OOCKSHAZYCTGHD-QMMMGPOBSA-N -1 3 287.337 1.481 20 30 CDEDHM N#Cc1cc(Cl)cc(CN2CCN(CC(=O)[O-])CC2)c1 ZINC001601087532 1174736221 /nfs/dbraw/zinc/73/62/21/1174736221.db2.gz WUQOPRGVTTUGMO-UHFFFAOYSA-N -1 3 293.754 1.414 20 30 CDEDHM C[C@H](CO)NN=Cc1cc(Br)ccc1[O-] ZINC000749820424 574550147 /nfs/dbraw/zinc/55/01/47/574550147.db2.gz DDXQEBYUUIELMW-SSDOTTSWSA-N -1 3 273.130 1.459 20 30 CDEDHM C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C(=O)[O-])CC1 ZINC000738469786 574607624 /nfs/dbraw/zinc/60/76/24/574607624.db2.gz CWYXFESCARIQCM-LBPRGKRZSA-N -1 3 282.384 1.596 20 30 CDEDHM CCCS(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C)C#N)cc1 ZINC000728109550 574613900 /nfs/dbraw/zinc/61/39/00/574613900.db2.gz UVOUMDUYCRVFTR-SNVBAGLBSA-N -1 3 296.348 1.907 20 30 CDEDHM COc1cccc([O-])c1/C=N/CC(=O)OC(C)C ZINC000729150675 574723308 /nfs/dbraw/zinc/72/33/08/574723308.db2.gz WSVHLVCGLHBMQP-VGOFMYFVSA-N -1 3 251.282 1.771 20 30 CDEDHM C=CCN1CCC(NC(=O)[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000736106667 575564256 /nfs/dbraw/zinc/56/42/56/575564256.db2.gz HARLHULKKUHVRR-GFCCVEGCSA-N -1 3 283.372 1.045 20 30 CDEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000737718418 574998194 /nfs/dbraw/zinc/99/81/94/574998194.db2.gz JBHXTFHDAJJBHT-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737718418 574998196 /nfs/dbraw/zinc/99/81/96/574998196.db2.gz JBHXTFHDAJJBHT-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM COc1cccc([O-])c1/C=N/C[C@@H](O)c1cnn(C)c1 ZINC000741465853 575049481 /nfs/dbraw/zinc/04/94/81/575049481.db2.gz YWBXUVMHWYKBCI-BKNIFWKGSA-N -1 3 275.308 1.287 20 30 CDEDHM CC(=O)Nc1ccc([O-])c(C(C)=NNC(=S)N(C)C)c1 ZINC000731563311 575054346 /nfs/dbraw/zinc/05/43/46/575054346.db2.gz XLJSMNYJHFCCBF-UHFFFAOYSA-N -1 3 294.380 1.511 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1ccc(Cl)s1 ZINC000764697464 575060057 /nfs/dbraw/zinc/06/00/57/575060057.db2.gz ABGDVPQUFVTKON-UHFFFAOYSA-N -1 3 252.748 1.675 20 30 CDEDHM N#Cc1ccc(C(=O)O[C@H]2CCN(CC(F)(F)F)C2)[n-]1 ZINC000774672261 575226438 /nfs/dbraw/zinc/22/64/38/575226438.db2.gz MRBUDIIUGNXYOI-VIFPVBQESA-N -1 3 287.241 1.680 20 30 CDEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000770391486 575444674 /nfs/dbraw/zinc/44/46/74/575444674.db2.gz UNHMFHPYCZZQJZ-MRVPVSSYSA-N -1 3 288.350 1.737 20 30 CDEDHM C=CC[C@H](C)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735410350 575461365 /nfs/dbraw/zinc/46/13/65/575461365.db2.gz ZRNORWIOYAIBPA-JTQLQIEISA-N -1 3 271.324 1.490 20 30 CDEDHM C=CC[C@H](C)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735410350 575461367 /nfs/dbraw/zinc/46/13/67/575461367.db2.gz ZRNORWIOYAIBPA-JTQLQIEISA-N -1 3 271.324 1.490 20 30 CDEDHM C=C(COc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC ZINC000735402612 575464632 /nfs/dbraw/zinc/46/46/32/575464632.db2.gz YZHFQEZEDFXTCY-UHFFFAOYSA-N -1 3 274.280 1.365 20 30 CDEDHM C=C(COc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC ZINC000735402612 575464635 /nfs/dbraw/zinc/46/46/35/575464635.db2.gz YZHFQEZEDFXTCY-UHFFFAOYSA-N -1 3 274.280 1.365 20 30 CDEDHM C=C1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735401983 575464775 /nfs/dbraw/zinc/46/47/75/575464775.db2.gz CPXJIELGWZGAIG-UHFFFAOYSA-N -1 3 298.350 1.457 20 30 CDEDHM C=C1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735401983 575464777 /nfs/dbraw/zinc/46/47/77/575464777.db2.gz CPXJIELGWZGAIG-UHFFFAOYSA-N -1 3 298.350 1.457 20 30 CDEDHM NC(=O)CON=Cc1cc(-c2ccccc2)ccc1[O-] ZINC000771575019 575592604 /nfs/dbraw/zinc/59/26/04/575592604.db2.gz QAMFJRYWIBNNIF-UHFFFAOYSA-N -1 3 270.288 1.895 20 30 CDEDHM COC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736957340 575776335 /nfs/dbraw/zinc/77/63/35/575776335.db2.gz QMHPFKYHIWRCFV-UHFFFAOYSA-N -1 3 286.295 1.102 20 30 CDEDHM COC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736957340 575776337 /nfs/dbraw/zinc/77/63/37/575776337.db2.gz QMHPFKYHIWRCFV-UHFFFAOYSA-N -1 3 286.295 1.102 20 30 CDEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1F)[C@@H]1CCCO1 ZINC000773048297 575776412 /nfs/dbraw/zinc/77/64/12/575776412.db2.gz FZVMVACSTVRCII-OLZOCXBDSA-N -1 3 297.351 1.593 20 30 CDEDHM CSCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737179477 575896046 /nfs/dbraw/zinc/89/60/46/575896046.db2.gz KUWIBIDSWRUBLU-UHFFFAOYSA-N -1 3 274.309 1.040 20 30 CDEDHM CSCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737179477 575896049 /nfs/dbraw/zinc/89/60/49/575896049.db2.gz KUWIBIDSWRUBLU-UHFFFAOYSA-N -1 3 274.309 1.040 20 30 CDEDHM N#CCc1ccnc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000764348576 575900538 /nfs/dbraw/zinc/90/05/38/575900538.db2.gz MBFVTZIOSSHLOS-UHFFFAOYSA-N -1 3 297.270 1.834 20 30 CDEDHM COCc1ccc(C=N[N-]c2[nH+]cnc3[n-]cnc32)o1 ZINC000764684606 575933927 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576642821 /nfs/dbraw/zinc/64/28/21/576642821.db2.gz WBVHQYKDWKMHQD-UHFFFAOYSA-N -1 3 273.336 1.005 20 30 CDEDHM N#Cc1ccc(CNC(=O)c2cc3n[n-]nc3cc2F)cc1 ZINC000753827461 576861385 /nfs/dbraw/zinc/86/13/85/576861385.db2.gz VXVYMKNEPLFCIC-UHFFFAOYSA-N -1 3 295.277 1.899 20 30 CDEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(F)n2)c1[O-] ZINC000747691006 576880459 /nfs/dbraw/zinc/88/04/59/576880459.db2.gz STZLJFQGVHDRMW-APSNUPSMSA-N -1 3 275.283 1.741 20 30 CDEDHM COc1cccc([O-])c1/C=N\CCNC(=O)C(C)(C)C ZINC000749454047 576949188 /nfs/dbraw/zinc/94/91/88/576949188.db2.gz XQQBNMZBHJTPJY-YBEGLDIGSA-N -1 3 278.352 1.982 20 30 CDEDHM N#Cc1ccc(C(=O)OCC(=O)NCc2ccccc2)[n-]1 ZINC000752483304 577108992 /nfs/dbraw/zinc/10/89/92/577108992.db2.gz MEMPYLQFNMMSGE-UHFFFAOYSA-N -1 3 283.287 1.360 20 30 CDEDHM CC(C)[C@H](C#N)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000759296406 577166964 /nfs/dbraw/zinc/16/69/64/577166964.db2.gz LWHMDQBOYJTVST-LBPRGKRZSA-N -1 3 296.348 1.763 20 30 CDEDHM C#CC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 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Cc1cc(=O)[n-]c(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC001548514222 967530576 /nfs/dbraw/zinc/53/05/76/967530576.db2.gz WFFHRUKKJWAXKU-CQSZACIVSA-N -1 3 296.330 1.940 20 30 CDEDHM N#CCOc1cccc(NC(=O)c2cc(=O)[n-]cn2)c1 ZINC001361656794 970387833 /nfs/dbraw/zinc/38/78/33/970387833.db2.gz CFJPSIDIWVFXCA-UHFFFAOYSA-N -1 3 270.248 1.337 20 30 CDEDHM N#CCCC[C@@H](N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000691580514 976371100 /nfs/dbraw/zinc/37/11/00/976371100.db2.gz PMDTZEWPOWBGQY-LLVKDONJSA-N -1 3 279.271 1.484 20 30 CDEDHM CC[C@H](C)C[C@H](NC(=O)[C@H](N)CCCC#N)C(=O)[O-] ZINC000691640562 976379242 /nfs/dbraw/zinc/37/92/42/976379242.db2.gz QGJSMUMOBZBKFN-AXFHLTTASA-N -1 3 269.345 1.013 20 30 CDEDHM COCc1nsc([N-]C(=O)c2ccc(C#N)cc2F)n1 ZINC001416939651 977459863 /nfs/dbraw/zinc/45/98/63/977459863.db2.gz WVJYIBQGXXQTJH-UHFFFAOYSA-N -1 3 292.295 1.948 20 30 CDEDHM C#CC[C@@H](COC)NCc1ccsc1C(=O)[O-] ZINC000716848497 977858975 /nfs/dbraw/zinc/85/89/75/977858975.db2.gz RCEGJXHSZNYOKR-JTQLQIEISA-N -1 3 253.323 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CARUINPPUCVWKV-AWEZNQCLSA-N -1 3 292.335 1.390 20 30 CDEDHM C=CCOCCN[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001588869009 984437001 /nfs/dbraw/zinc/43/70/01/984437001.db2.gz KUJWGBRSIZCDOU-SNVBAGLBSA-N -1 3 265.313 1.208 20 30 CDEDHM CC(C)(CC#N)CN[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001590614922 990285123 /nfs/dbraw/zinc/28/51/23/990285123.db2.gz BEUDHTGBJXDTNW-SNVBAGLBSA-N -1 3 276.340 1.946 20 30 CDEDHM COCCCON=Cc1cccc(-c2nnn[n-]2)c1 ZINC001605091359 1163450383 /nfs/dbraw/zinc/45/03/83/1163450383.db2.gz PEKWSBTXCHFOKE-UHFFFAOYSA-N -1 3 261.285 1.254 20 30 CDEDHM COCCCON=Cc1cccc(-c2nn[n-]n2)c1 ZINC001605091359 1163450386 /nfs/dbraw/zinc/45/03/86/1163450386.db2.gz PEKWSBTXCHFOKE-UHFFFAOYSA-N -1 3 261.285 1.254 20 30 CDEDHM N#CC1(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592667471 1173961451 /nfs/dbraw/zinc/96/14/51/1173961451.db2.gz XBRMYEFTTVIBBH-UHFFFAOYSA-N -1 3 269.264 1.466 20 30 CDEDHM N#CC1(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592667471 1173961456 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342103549 /nfs/dbraw/zinc/10/35/49/342103549.db2.gz CKRGLVYJWIIHEH-UHFFFAOYSA-N -1 3 260.282 1.046 20 30 CDEDHM CSc1n[n-]c(NC(=O)c2ccc(C#N)cn2)n1 ZINC000609345260 342103550 /nfs/dbraw/zinc/10/35/50/342103550.db2.gz CKRGLVYJWIIHEH-UHFFFAOYSA-N -1 3 260.282 1.046 20 30 CDEDHM CSc1nc(NC(=O)c2ccc(C#N)cn2)n[n-]1 ZINC000609345260 342103551 /nfs/dbraw/zinc/10/35/51/342103551.db2.gz CKRGLVYJWIIHEH-UHFFFAOYSA-N -1 3 260.282 1.046 20 30 CDEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCOCC1CC1 ZINC000591648912 342642135 /nfs/dbraw/zinc/64/21/35/342642135.db2.gz IKARCELKFPSEIC-LBPRGKRZSA-N -1 3 272.370 1.025 20 30 CDEDHM CN1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1(C)C ZINC000594356462 342889257 /nfs/dbraw/zinc/88/92/57/342889257.db2.gz FLFDYHLPJNOALD-UHFFFAOYSA-N -1 3 273.336 1.430 20 30 CDEDHM N#C[C@]1(F)CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000594342241 342891252 /nfs/dbraw/zinc/89/12/52/342891252.db2.gz DFSAMAWNVRTLDL-CYBMUJFWSA-N -1 3 276.271 1.137 20 30 CDEDHM CC(C)c1cnc(S(=O)(=O)CCOCCC#N)[n-]1 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Cc1cc([N-]C(=O)[C@H](C)N2CCC[C@@H](CC#N)C2)on1 ZINC000595612343 343109231 /nfs/dbraw/zinc/10/92/31/343109231.db2.gz UPJMDMGNXFDSPZ-RYUDHWBXSA-N -1 3 276.340 1.936 20 30 CDEDHM Cc1c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)nnn1C ZINC000442735407 362084622 /nfs/dbraw/zinc/08/46/22/362084622.db2.gz YCMGRMSPXYCMFO-JTQLQIEISA-N -1 3 294.318 1.798 20 30 CDEDHM CO[C@H]1COCC[C@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596253454 343275296 /nfs/dbraw/zinc/27/52/96/343275296.db2.gz UIAIKOIMMLFKGA-CBAPKCEASA-N -1 3 287.772 1.553 20 30 CDEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000445038549 362222554 /nfs/dbraw/zinc/22/25/54/362222554.db2.gz QVYDHEZLONGMKN-MRVPVSSYSA-N -1 3 287.312 1.465 20 30 CDEDHM Cc1cc(N2CC[C@@H](/N=C/c3ccccc3[O-])C2=O)n(C)n1 ZINC000173990085 365776837 /nfs/dbraw/zinc/77/68/37/365776837.db2.gz TYQRIORJKHPFTQ-VGSSETLESA-N -1 3 298.346 1.659 20 30 CDEDHM N#CC1(CNC(=O)c2ccc3[nH][n-]c(=O)c3c2)CCC1 ZINC000597784386 343634401 /nfs/dbraw/zinc/63/44/01/343634401.db2.gz 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CDEDHM Cc1cc(NC(=O)[N-]OCC(C)C)nn1CCC#N ZINC000272060024 263001842 /nfs/dbraw/zinc/00/18/42/263001842.db2.gz ISMFHYKSTGKUFX-UHFFFAOYSA-N -1 3 265.317 1.814 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000273922003 263020497 /nfs/dbraw/zinc/02/04/97/263020497.db2.gz ZUZFQWBKLMDTMV-JTQLQIEISA-N -1 3 275.308 1.773 20 30 CDEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000290920106 263119219 /nfs/dbraw/zinc/11/92/19/263119219.db2.gz IBGSBKXZGJPMER-LBPRGKRZSA-N -1 3 286.303 1.935 20 30 CDEDHM Cc1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)[n-]c(=O)n1 ZINC000340559245 263200952 /nfs/dbraw/zinc/20/09/52/263200952.db2.gz UWXCSYZYURZRQX-GFCCVEGCSA-N -1 3 286.266 1.624 20 30 CDEDHM CC(C)(C)C[C@H](CO)NC(=O)c1csc(=O)[n-]1 ZINC000330987066 264103710 /nfs/dbraw/zinc/10/37/10/264103710.db2.gz JAHOCGSOSVEAGJ-SSDOTTSWSA-N -1 3 258.343 1.950 20 30 CDEDHM CN(C)c1nc(C(=O)N[C@@H](CCO)C(C)(C)C)cc(=O)[n-]1 ZINC000331204703 264161007 /nfs/dbraw/zinc/16/10/07/264161007.db2.gz 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534352752 /nfs/dbraw/zinc/35/27/52/534352752.db2.gz ROFMFUJOVXFYGG-QMMMGPOBSA-N -1 3 289.378 1.778 20 30 CDEDHM C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CN1C1CC1 ZINC000188633747 525261099 /nfs/dbraw/zinc/26/10/99/525261099.db2.gz MNHTWBBITDLBAW-ZWNOBZJWSA-N -1 3 285.347 1.619 20 30 CDEDHM C#CCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000111238395 526882411 /nfs/dbraw/zinc/88/24/11/526882411.db2.gz QLHOETQPYUYLOP-UHFFFAOYSA-N -1 3 267.712 1.654 20 30 CDEDHM CC(C)N1CC[C@H](NC(=O)c2csc(=O)[n-]2)C1=O ZINC000329990140 529073074 /nfs/dbraw/zinc/07/30/74/529073074.db2.gz VWYFNGOKXKFLCN-ZETCQYMHSA-N -1 3 269.326 1.163 20 30 CDEDHM N#C[C@H]1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000737686676 574434556 /nfs/dbraw/zinc/43/45/56/574434556.db2.gz ZDFFIYXCPZWLGC-VIFPVBQESA-N -1 3 290.714 1.249 20 30 CDEDHM N#C[C@H]1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000737686676 574434557 /nfs/dbraw/zinc/43/45/57/574434557.db2.gz ZDFFIYXCPZWLGC-VIFPVBQESA-N -1 3 290.714 1.249 20 30 CDEDHM N#C[C@@H]1CN(c2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000737681324 574479637 /nfs/dbraw/zinc/47/96/37/574479637.db2.gz CKEMCQRRAUJIMU-SECBINFHSA-N -1 3 290.714 1.249 20 30 CDEDHM N#C[C@@H]1CN(c2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000737681324 574479639 /nfs/dbraw/zinc/47/96/39/574479639.db2.gz CKEMCQRRAUJIMU-SECBINFHSA-N -1 3 290.714 1.249 20 30 CDEDHM CN(C(=O)COC(=O)c1ccc(F)cc1[O-])C(C)(C)C#N ZINC000750158235 574582070 /nfs/dbraw/zinc/58/20/70/574582070.db2.gz FQCBGTRGUQVUOA-UHFFFAOYSA-N -1 3 294.282 1.449 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1cc(F)c(F)c(F)c1 ZINC000764705601 575060138 /nfs/dbraw/zinc/06/01/38/575060138.db2.gz YLUJRGCTXOULFG-UHFFFAOYSA-N -1 3 266.244 1.377 20 30 CDEDHM CCS(=O)(=O)C[C@H](C)/N=C\c1c([O-])cccc1OC ZINC000733204875 575106132 /nfs/dbraw/zinc/10/61/32/575106132.db2.gz CHOAIKSYPBFVDX-WULZRQGASA-N -1 3 285.365 1.643 20 30 CDEDHM C=CCCCOC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770108207 575422896 /nfs/dbraw/zinc/42/28/96/575422896.db2.gz RFAQTWYPHBFGHP-JTQLQIEISA-N -1 3 277.386 1.460 20 30 CDEDHM c1cnnc(N=NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735399923 575464297 /nfs/dbraw/zinc/46/42/97/575464297.db2.gz OIYPQMFXFQNWJK-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM c1cnnc(N=NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735399923 575464300 /nfs/dbraw/zinc/46/43/00/575464300.db2.gz OIYPQMFXFQNWJK-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM C=C1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735402732 575465826 /nfs/dbraw/zinc/46/58/26/575465826.db2.gz IJGJOODTVFZBMP-UHFFFAOYSA-N -1 3 269.308 1.659 20 30 CDEDHM C=C1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735402732 575465829 /nfs/dbraw/zinc/46/58/29/575465829.db2.gz IJGJOODTVFZBMP-UHFFFAOYSA-N -1 3 269.308 1.659 20 30 CDEDHM C=CCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000735409268 575466614 /nfs/dbraw/zinc/46/66/14/575466614.db2.gz XFYICRQFHPDWOA-UHFFFAOYSA-N -1 3 274.280 1.747 20 30 CDEDHM C=CCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000735409268 575466616 /nfs/dbraw/zinc/46/66/16/575466616.db2.gz XFYICRQFHPDWOA-UHFFFAOYSA-N -1 3 274.280 1.747 20 30 CDEDHM CC(C)=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735680414 575497681 /nfs/dbraw/zinc/49/76/81/575497681.db2.gz WAEDKRMMXZWKTQ-UHFFFAOYSA-N -1 3 268.280 1.643 20 30 CDEDHM CC(C)=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735680414 575497683 /nfs/dbraw/zinc/49/76/83/575497683.db2.gz WAEDKRMMXZWKTQ-UHFFFAOYSA-N -1 3 268.280 1.643 20 30 CDEDHM CC(C)[C@H](C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735690267 575502422 /nfs/dbraw/zinc/50/24/22/575502422.db2.gz IJCWTMHRSMHVBZ-WSROAFLRSA-N -1 3 296.334 1.544 20 30 CDEDHM CC(C)[C@H](C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735690267 575502423 /nfs/dbraw/zinc/50/24/23/575502423.db2.gz IJCWTMHRSMHVBZ-WSROAFLRSA-N -1 3 296.334 1.544 20 30 CDEDHM C[C@@H](CC#N)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735963921 575540693 /nfs/dbraw/zinc/54/06/93/575540693.db2.gz RCXJCVXEEDLLRW-NSHDSACASA-N -1 3 298.350 1.560 20 30 CDEDHM C[C@@H](CC#N)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735963921 575540697 /nfs/dbraw/zinc/54/06/97/575540697.db2.gz RCXJCVXEEDLLRW-NSHDSACASA-N -1 3 298.350 1.560 20 30 CDEDHM C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736235177 575597212 /nfs/dbraw/zinc/59/72/12/575597212.db2.gz MQYVTXLOMSGCLQ-WRWORJQWSA-N -1 3 268.280 1.333 20 30 CDEDHM C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736235177 575597215 /nfs/dbraw/zinc/59/72/15/575597215.db2.gz MQYVTXLOMSGCLQ-WRWORJQWSA-N -1 3 268.280 1.333 20 30 CDEDHM CCCOCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736487711 575675431 /nfs/dbraw/zinc/67/54/31/575675431.db2.gz HVABOUNGDBTKAM-UHFFFAOYSA-N -1 3 286.295 1.103 20 30 CDEDHM CCCOCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736487711 575675434 /nfs/dbraw/zinc/67/54/34/575675434.db2.gz HVABOUNGDBTKAM-UHFFFAOYSA-N -1 3 286.295 1.103 20 30 CDEDHM CS(=O)(=O)[N-]N=C(Cc1ccccc1)C1CC1 ZINC000764698510 575935152 /nfs/dbraw/zinc/93/51/52/575935152.db2.gz HDYVFKRIRSVSHM-UHFFFAOYSA-N -1 3 252.339 1.544 20 30 CDEDHM N#CC(C(=O)CCNC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000739074325 576157661 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1173090174 /nfs/dbraw/zinc/09/01/74/1173090174.db2.gz BQJWXWIVWXJXCC-UHFFFAOYSA-N -1 3 286.339 1.191 20 30 CDEDHM C=CCN(C)C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588625957 1173090178 /nfs/dbraw/zinc/09/01/78/1173090178.db2.gz BQJWXWIVWXJXCC-UHFFFAOYSA-N -1 3 286.339 1.191 20 30 CDEDHM CC#CCN(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588746576 1173100971 /nfs/dbraw/zinc/10/09/71/1173100971.db2.gz UJRPNIXEZALUCE-NSHDSACASA-N -1 3 298.350 1.592 20 30 CDEDHM CC#CCN(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588746576 1173100975 /nfs/dbraw/zinc/10/09/75/1173100975.db2.gz UJRPNIXEZALUCE-NSHDSACASA-N -1 3 298.350 1.592 20 30 CDEDHM CC#CCN(C)C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588746395 1173101447 /nfs/dbraw/zinc/10/14/47/1173101447.db2.gz QUXHIEUYNFHADL-UHFFFAOYSA-N -1 3 285.311 1.057 20 30 CDEDHM CC#CCN(C)C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588746395 1173101451 /nfs/dbraw/zinc/10/14/51/1173101451.db2.gz QUXHIEUYNFHADL-UHFFFAOYSA-N -1 3 285.311 1.057 20 30 CDEDHM C[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589787656 1173181626 /nfs/dbraw/zinc/18/16/26/1173181626.db2.gz ODNGZTBVAQEFQK-JIMOISOXSA-N -1 3 296.334 1.389 20 30 CDEDHM C[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001589787656 1173181628 /nfs/dbraw/zinc/18/16/28/1173181628.db2.gz ODNGZTBVAQEFQK-JIMOISOXSA-N -1 3 296.334 1.389 20 30 CDEDHM C[C@H](CC#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589787316 1173182481 /nfs/dbraw/zinc/18/24/81/1173182481.db2.gz PGNXQNZYCMSLPT-SSDOTTSWSA-N -1 3 274.259 1.494 20 30 CDEDHM C[C@H](CC#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589787316 1173182485 /nfs/dbraw/zinc/18/24/85/1173182485.db2.gz PGNXQNZYCMSLPT-SSDOTTSWSA-N -1 3 274.259 1.494 20 30 CDEDHM C[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)O1 ZINC001590181184 1173281088 /nfs/dbraw/zinc/28/10/88/1173281088.db2.gz LZOWOBKDUKQLNL-RKDXNWHRSA-N -1 3 272.312 1.832 20 30 CDEDHM C[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)O1 ZINC001590181184 1173281091 /nfs/dbraw/zinc/28/10/91/1173281091.db2.gz LZOWOBKDUKQLNL-RKDXNWHRSA-N -1 3 272.312 1.832 20 30 CDEDHM CCC(=NN1CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359128 1173374179 /nfs/dbraw/zinc/37/41/79/1173374179.db2.gz ONGPFMKOXGVVDM-UHFFFAOYSA-N -1 3 256.313 1.687 20 30 CDEDHM CCC(=NN1CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359128 1173374186 /nfs/dbraw/zinc/37/41/86/1173374186.db2.gz ONGPFMKOXGVVDM-UHFFFAOYSA-N -1 3 256.313 1.687 20 30 CDEDHM CC[C@H](C#N)OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590367720 1173377286 /nfs/dbraw/zinc/37/72/86/1173377286.db2.gz IQWPPJJMOVUMTI-LLVKDONJSA-N -1 3 271.280 1.255 20 30 CDEDHM CC[C@H](C#N)OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590367720 1173377293 /nfs/dbraw/zinc/37/72/93/1173377293.db2.gz IQWPPJJMOVUMTI-LLVKDONJSA-N -1 3 271.280 1.255 20 30 CDEDHM CC[C@](C)(C=NNCc1ccc(-c2nnn[n-]2)cc1)OC ZINC001590379936 1173381390 /nfs/dbraw/zinc/38/13/90/1173381390.db2.gz IVPLVDAMLIQHGB-CQSZACIVSA-N -1 3 288.355 1.757 20 30 CDEDHM CC[C@](C)(C=NNCc1ccc(-c2nn[n-]n2)cc1)OC ZINC001590379936 1173381394 /nfs/dbraw/zinc/38/13/94/1173381394.db2.gz IVPLVDAMLIQHGB-CQSZACIVSA-N -1 3 288.355 1.757 20 30 CDEDHM CCN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)C#N ZINC001590682720 1173488601 /nfs/dbraw/zinc/48/86/01/1173488601.db2.gz KFPCZZVZXPIXKN-ZWNOBZJWSA-N -1 3 286.339 1.134 20 30 CDEDHM CCN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)C#N ZINC001590682720 1173488606 /nfs/dbraw/zinc/48/86/06/1173488606.db2.gz KFPCZZVZXPIXKN-ZWNOBZJWSA-N -1 3 286.339 1.134 20 30 CDEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1C#N ZINC001590747757 1173505860 /nfs/dbraw/zinc/50/58/60/1173505860.db2.gz LTRHFOKHNQTKMA-NXEZZACHSA-N -1 3 297.322 1.397 20 30 CDEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)CC#N ZINC001591222170 1173592653 /nfs/dbraw/zinc/59/26/53/1173592653.db2.gz DTJYGYVWSFQKON-QMMMGPOBSA-N -1 3 285.311 1.397 20 30 CDEDHM COCC#CCN(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001591360950 1173631176 /nfs/dbraw/zinc/63/11/76/1173631176.db2.gz ISMYUMWGSPVMNM-UHFFFAOYSA-N -1 3 277.353 1.010 20 30 CDEDHM COCC#CCN(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001591360950 1173631180 /nfs/dbraw/zinc/63/11/80/1173631180.db2.gz ISMYUMWGSPVMNM-UHFFFAOYSA-N -1 3 277.353 1.010 20 30 CDEDHM COCC#CC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001591362027 1173632181 /nfs/dbraw/zinc/63/21/81/1173632181.db2.gz QSSFTIBWCJDEAM-LLVKDONJSA-N -1 3 299.334 1.036 20 30 CDEDHM COCC#CC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001591362027 1173632188 /nfs/dbraw/zinc/63/21/88/1173632188.db2.gz QSSFTIBWCJDEAM-LLVKDONJSA-N -1 3 299.334 1.036 20 30 CDEDHM COCc1cc(-c2nn[n-]n2)ccc1N1CC[C@](C)(C#N)C1 ZINC001591454577 1173653408 /nfs/dbraw/zinc/65/34/08/1173653408.db2.gz CGIOCDCBXLOIIR-OAHLLOKOSA-N -1 3 298.350 1.753 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)o1 ZINC001592107085 1173800900 /nfs/dbraw/zinc/80/09/00/1173800900.db2.gz MZMRZKYFVZZLTN-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)o1 ZINC001592107085 1173800906 /nfs/dbraw/zinc/80/09/06/1173800906.db2.gz MZMRZKYFVZZLTN-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1ccc(CNC(=O)CC(C)(C)C#N)cc1-c1nnn[n-]1 ZINC001592159711 1173816712 /nfs/dbraw/zinc/81/67/12/1173816712.db2.gz OPSOLIKULUVPKV-UHFFFAOYSA-N -1 3 298.350 1.731 20 30 CDEDHM Cc1ccc(CNC(=O)CC(C)(C)C#N)cc1-c1nn[n-]n1 ZINC001592159711 1173816717 /nfs/dbraw/zinc/81/67/17/1173816717.db2.gz OPSOLIKULUVPKV-UHFFFAOYSA-N -1 3 298.350 1.731 20 30 CDEDHM N#C[C@]1(F)CCN(Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC001592670599 1173960841 /nfs/dbraw/zinc/96/08/41/1173960841.db2.gz HORXPNNICDRUPR-LLVKDONJSA-N -1 3 278.316 1.366 20 30 CDEDHM N#C[C@]1(F)CCN(Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC001592670599 1173960844 /nfs/dbraw/zinc/96/08/44/1173960844.db2.gz HORXPNNICDRUPR-LLVKDONJSA-N -1 3 278.316 1.366 20 30 CDEDHM N#CCCOCCSc1cccc(-c2nnn[n-]2)c1 ZINC001592677648 1173968335 /nfs/dbraw/zinc/96/83/35/1173968335.db2.gz DIAGVDWOEIFLQB-UHFFFAOYSA-N -1 3 275.337 1.889 20 30 CDEDHM N#CCCOCCSc1cccc(-c2nn[n-]n2)c1 ZINC001592677648 1173968341 /nfs/dbraw/zinc/96/83/41/1173968341.db2.gz DIAGVDWOEIFLQB-UHFFFAOYSA-N -1 3 275.337 1.889 20 30 CDEDHM N#CC[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592681828 1173968776 /nfs/dbraw/zinc/96/87/76/1173968776.db2.gz IMNMMNMFJLMSLP-ONGXEEELSA-N -1 3 269.312 1.756 20 30 CDEDHM N#CC[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592681828 1173968778 /nfs/dbraw/zinc/96/87/78/1173968778.db2.gz IMNMMNMFJLMSLP-ONGXEEELSA-N -1 3 269.312 1.756 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ncccc1F ZINC001592699706 1173974652 /nfs/dbraw/zinc/97/46/52/1173974652.db2.gz IZKPAXAGSNTQLE-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ncccc1F ZINC001592699706 1173974656 /nfs/dbraw/zinc/97/46/56/1173974656.db2.gz IZKPAXAGSNTQLE-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1ncn(C2CC(CF)(CF)C2)c1-c1nnn[n-]1 ZINC001592710223 1173979968 /nfs/dbraw/zinc/97/99/68/1173979968.db2.gz YCXYXARLUNKELB-UHFFFAOYSA-N -1 3 279.254 1.195 20 30 CDEDHM C#C[C@H](C)OC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602690699 1175354956 /nfs/dbraw/zinc/35/49/56/1175354956.db2.gz YQLKYEFBFIOMLX-VIFPVBQESA-N -1 3 256.265 1.354 20 30 CDEDHM C#C[C@H](C)OC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602690699 1175354962 /nfs/dbraw/zinc/35/49/62/1175354962.db2.gz YQLKYEFBFIOMLX-VIFPVBQESA-N -1 3 256.265 1.354 20 30 CDEDHM C#C[C@H](CC)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602690031 1175356261 /nfs/dbraw/zinc/35/62/61/1175356261.db2.gz YKECFWZAOLKHKI-MRVPVSSYSA-N -1 3 272.268 1.599 20 30 CDEDHM C#C[C@H](CC)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602690031 1175356267 /nfs/dbraw/zinc/35/62/67/1175356267.db2.gz YKECFWZAOLKHKI-MRVPVSSYSA-N -1 3 272.268 1.599 20 30 CDEDHM C#CCCCNC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602711185 1175368513 /nfs/dbraw/zinc/36/85/13/1175368513.db2.gz MLXHSQZOOYAGPH-LBPRGKRZSA-N -1 3 297.362 1.575 20 30 CDEDHM C#CCCCNC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602711185 1175368520 /nfs/dbraw/zinc/36/85/20/1175368520.db2.gz MLXHSQZOOYAGPH-LBPRGKRZSA-N -1 3 297.362 1.575 20 30 CDEDHM C#CCSCCNC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001602733087 1175376639 /nfs/dbraw/zinc/37/66/39/1175376639.db2.gz SHVMHUNMZSGKIH-UHFFFAOYSA-N -1 3 293.377 1.024 20 30 CDEDHM C=CC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001602785038 1175400501 /nfs/dbraw/zinc/40/05/01/1175400501.db2.gz KFGLXLYEDBCJQL-UHFFFAOYSA-N -1 3 272.312 1.721 20 30 CDEDHM C=CC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001602785038 1175400502 /nfs/dbraw/zinc/40/05/02/1175400502.db2.gz KFGLXLYEDBCJQL-UHFFFAOYSA-N -1 3 272.312 1.721 20 30 CDEDHM C=CCCCCNC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602837698 1175428062 /nfs/dbraw/zinc/42/80/62/1175428062.db2.gz FKGWETIUFBFNFE-UHFFFAOYSA-N -1 3 286.339 1.656 20 30 CDEDHM C=CCCCCNC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602837698 1175428071 /nfs/dbraw/zinc/42/80/71/1175428071.db2.gz FKGWETIUFBFNFE-UHFFFAOYSA-N -1 3 286.339 1.656 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001602888610 1175444783 /nfs/dbraw/zinc/44/47/83/1175444783.db2.gz ULFOBYBCLKDGLJ-ONGXEEELSA-N -1 3 272.312 1.265 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001602888610 1175444788 /nfs/dbraw/zinc/44/47/88/1175444788.db2.gz ULFOBYBCLKDGLJ-ONGXEEELSA-N -1 3 272.312 1.265 20 30 CDEDHM CC#CCN(C)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602894401 1175445620 /nfs/dbraw/zinc/44/56/20/1175445620.db2.gz ZWNSSABZCIRMPH-LLVKDONJSA-N -1 3 299.334 1.116 20 30 CDEDHM CC#CC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1)C(=O)[O-] ZINC001602891390 1175445977 /nfs/dbraw/zinc/44/59/77/1175445977.db2.gz CKOYSXMWXNYWAI-ZDUSSCGKSA-N -1 3 299.334 1.131 20 30 CDEDHM CC#CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1)C(=O)[O-] ZINC001602891390 1175445979 /nfs/dbraw/zinc/44/59/79/1175445979.db2.gz CKOYSXMWXNYWAI-ZDUSSCGKSA-N -1 3 299.334 1.131 20 30 CDEDHM C=CCOC[C@H](NCc1cnc(F)c(C)c1)C(=O)[O-] ZINC001602914822 1175450871 /nfs/dbraw/zinc/45/08/71/1175450871.db2.gz FRBFZHQDJQJYOF-NSHDSACASA-N -1 3 268.288 1.275 20 30 CDEDHM C[C@@H](Nc1ccnc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001603688269 1175598193 /nfs/dbraw/zinc/59/81/93/1175598193.db2.gz SQDNXFVFQJFLKA-SNVBAGLBSA-N -1 3 291.318 1.728 20 30 CDEDHM C[C@@H](Nc1ccnc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001603688269 1175598197 /nfs/dbraw/zinc/59/81/97/1175598197.db2.gz SQDNXFVFQJFLKA-SNVBAGLBSA-N -1 3 291.318 1.728 20 30 CDEDHM C[C@@H]1C[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)[C@@H](C)O1 ZINC001603860281 1175656442 /nfs/dbraw/zinc/65/64/42/1175656442.db2.gz AMYKAEGYQZKMBX-LNLATYFQSA-N -1 3 284.323 1.716 20 30 CDEDHM C[C@@H]1C[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)[C@@H](C)O1 ZINC001603860281 1175656444 /nfs/dbraw/zinc/65/64/44/1175656444.db2.gz AMYKAEGYQZKMBX-LNLATYFQSA-N -1 3 284.323 1.716 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001603979964 1175704284 /nfs/dbraw/zinc/70/42/84/1175704284.db2.gz FICHESROVVVZIJ-LBPRGKRZSA-N -1 3 271.284 1.140 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001603979964 1175704288 /nfs/dbraw/zinc/70/42/88/1175704288.db2.gz FICHESROVVVZIJ-LBPRGKRZSA-N -1 3 271.284 1.140 20 30 CDEDHM CC[C@H](C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001603978124 1175704769 /nfs/dbraw/zinc/70/47/69/1175704769.db2.gz SLNGBVJZGRHLFB-SECBINFHSA-N -1 3 270.296 1.663 20 30 CDEDHM CC[C@H](C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001603978124 1175704775 /nfs/dbraw/zinc/70/47/75/1175704775.db2.gz SLNGBVJZGRHLFB-SECBINFHSA-N -1 3 270.296 1.663 20 30 CDEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(N(C)C)c1 ZINC000135467787 1175823885 /nfs/dbraw/zinc/82/38/85/1175823885.db2.gz VSORWQOYXWEDBZ-VIFPVBQESA-N -1 3 253.327 1.406 20 30 CDEDHM COc1cc(CN(CCCC#N)CC(=O)[O-])cc(OC)c1 ZINC001607157486 1164125070 /nfs/dbraw/zinc/12/50/70/1164125070.db2.gz OHHRKAWPXZOFQQ-UHFFFAOYSA-N -1 3 292.335 1.894 20 30 CDEDHM C=CCCC[C@H](N)C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000900463790 711840540 /nfs/dbraw/zinc/84/05/40/711840540.db2.gz VPIDDDJPZNXPDR-WOPDTQHZSA-N -1 3 268.357 1.239 20 30 CDEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)ccc1[N+](=O)[O-] ZINC000816753368 711887989 /nfs/dbraw/zinc/88/79/89/711887989.db2.gz GXHNWNVZLGNZCY-JTQLQIEISA-N -1 3 293.279 1.013 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1CC12CCCC2 ZINC000848137136 711928531 /nfs/dbraw/zinc/92/85/31/711928531.db2.gz ZEEQGPVSODLUOP-VHSXEESVSA-N -1 3 252.314 1.063 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000846548041 711950296 /nfs/dbraw/zinc/95/02/96/711950296.db2.gz CVSSLWZXMSWRDF-SECBINFHSA-N -1 3 280.280 1.768 20 30 CDEDHM C[C@@H]1CN=C(NN=Cc2cccc([O-])c2Cl)N1 ZINC000814897122 711984050 /nfs/dbraw/zinc/98/40/50/711984050.db2.gz DPAUHLWWKRXODT-SSDOTTSWSA-N -1 3 252.705 1.317 20 30 CDEDHM CCCc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)s1 ZINC000868563336 712078375 /nfs/dbraw/zinc/07/83/75/712078375.db2.gz RBUHDQZHHVVOCZ-JTQLQIEISA-N -1 3 282.365 1.811 20 30 CDEDHM C=C[C@H](CC)CC(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000935337629 712106289 /nfs/dbraw/zinc/10/62/89/712106289.db2.gz DMBLKBMLTQTWGV-SNVBAGLBSA-N -1 3 261.325 1.669 20 30 CDEDHM O=C1[C@@H](NCc2ccc(Cl)s2)CCCN1[O-] ZINC000828842383 712116476 /nfs/dbraw/zinc/11/64/76/712116476.db2.gz BRFHMCYWMLWDQF-QMMMGPOBSA-N -1 3 260.746 1.871 20 30 CDEDHM C=C(C)CO[N-]C(=O)CCCNC(=O)c1ccsc1 ZINC000846539806 712151018 /nfs/dbraw/zinc/15/10/18/712151018.db2.gz FRLKFCVTFWTLNH-UHFFFAOYSA-N -1 3 282.365 1.882 20 30 CDEDHM C#CCCC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814387852 712173930 /nfs/dbraw/zinc/17/39/30/712173930.db2.gz SUIHVMCGIZTLFD-UHFFFAOYSA-N -1 3 299.739 1.568 20 30 CDEDHM C=C(C)CN1CCO[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001035296734 712220058 /nfs/dbraw/zinc/22/00/58/712220058.db2.gz OIMUSIAFKPLMTH-CYBMUJFWSA-N -1 3 290.363 1.399 20 30 CDEDHM N#Cc1cnccc1CNC1(C(=O)[O-])CCCCC1 ZINC000842932285 712265823 /nfs/dbraw/zinc/26/58/23/712265823.db2.gz UJBICWRGTKLLPZ-UHFFFAOYSA-N -1 3 259.309 1.830 20 30 CDEDHM Cc1ncc(CO)c(/C=N/CC[C@H]2CCCCO2)c1[O-] ZINC000779707618 712266347 /nfs/dbraw/zinc/26/63/47/712266347.db2.gz PHUAARJBQFSMOJ-BPKVKKHESA-N -1 3 278.352 1.966 20 30 CDEDHM C=CCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000048867936 712281743 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ZINC000833362552 605192563 /nfs/dbraw/zinc/19/25/63/605192563.db2.gz YGAAMWPRJAOHMI-HNNXBMFYSA-N -1 3 272.348 1.453 20 30 CDEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000824926665 607740242 /nfs/dbraw/zinc/74/02/42/607740242.db2.gz KUQRSZFLSXMQLU-OTYXRUKQSA-N -1 3 299.338 1.397 20 30 CDEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000824926665 607740243 /nfs/dbraw/zinc/74/02/43/607740243.db2.gz KUQRSZFLSXMQLU-OTYXRUKQSA-N -1 3 299.338 1.397 20 30 CDEDHM C=C(Cl)C[C@@H](N)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001602788901 1175402398 /nfs/dbraw/zinc/40/23/98/1175402398.db2.gz PWOCJNDZSWEPFO-LLVKDONJSA-N -1 3 288.775 1.702 20 30 CDEDHM C[C@H](CC#N)N(C)Cc1ccccc1-c1nn[n-]n1 ZINC000820220090 606660470 /nfs/dbraw/zinc/66/04/70/606660470.db2.gz NEHIUTOMDHUGBJ-SNVBAGLBSA-N -1 3 256.313 1.601 20 30 CDEDHM C#CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819698356 606830713 /nfs/dbraw/zinc/83/07/13/606830713.db2.gz XQYRUFUINVSEBJ-UHFFFAOYSA-N -1 3 295.346 1.885 20 30 CDEDHM C#CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819698356 606830715 /nfs/dbraw/zinc/83/07/15/606830715.db2.gz XQYRUFUINVSEBJ-UHFFFAOYSA-N -1 3 295.346 1.885 20 30 CDEDHM N#Cc1nc(N)n(CCC2CCCC2)c1-c1nnn[n-]1 ZINC000822845967 607237821 /nfs/dbraw/zinc/23/78/21/607237821.db2.gz KHDMOBFYUFPLDU-UHFFFAOYSA-N -1 3 272.316 1.097 20 30 CDEDHM N#Cc1nc(N)n(CCC2CCCC2)c1-c1nn[n-]n1 ZINC000822845967 607237822 /nfs/dbraw/zinc/23/78/22/607237822.db2.gz KHDMOBFYUFPLDU-UHFFFAOYSA-N -1 3 272.316 1.097 20 30 CDEDHM CC1(C)C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824795890 607785572 /nfs/dbraw/zinc/78/55/72/607785572.db2.gz HUCPKDKOIBFNCP-NSHDSACASA-N -1 3 282.307 1.723 20 30 CDEDHM CC1(C)C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824795890 607785573 /nfs/dbraw/zinc/78/55/73/607785573.db2.gz HUCPKDKOIBFNCP-NSHDSACASA-N -1 3 282.307 1.723 20 30 CDEDHM Cc1cc(N=NCc2ccccc2-c2nn[n-]n2)ncn1 ZINC000826271135 607888805 /nfs/dbraw/zinc/88/88/05/607888805.db2.gz FAJDCFYSEDXQDN-UHFFFAOYSA-N -1 3 280.295 1.411 20 30 CDEDHM N#Cc1nccn1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000826388151 608012979 /nfs/dbraw/zinc/01/29/79/608012979.db2.gz KFVIDFNQWXZIDB-UHFFFAOYSA-N -1 3 290.290 1.236 20 30 CDEDHM N#Cc1nccn1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000826388151 608012980 /nfs/dbraw/zinc/01/29/80/608012980.db2.gz KFVIDFNQWXZIDB-UHFFFAOYSA-N -1 3 290.290 1.236 20 30 CDEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCC#N ZINC000825971397 608125704 /nfs/dbraw/zinc/12/57/04/608125704.db2.gz FGSUNJLFUMATQD-UHFFFAOYSA-N -1 3 299.338 1.312 20 30 CDEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCC#N ZINC000825971397 608125705 /nfs/dbraw/zinc/12/57/05/608125705.db2.gz FGSUNJLFUMATQD-UHFFFAOYSA-N -1 3 299.338 1.312 20 30 CDEDHM C#C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823837509 608453910 /nfs/dbraw/zinc/45/39/10/608453910.db2.gz DFINTTLPWMGYEQ-ZDUSSCGKSA-N -1 3 282.303 1.364 20 30 CDEDHM C#C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823837509 608453911 /nfs/dbraw/zinc/45/39/11/608453911.db2.gz DFINTTLPWMGYEQ-ZDUSSCGKSA-N -1 3 282.303 1.364 20 30 CDEDHM O=C(C=Cc1ncc[nH]1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402937 609273002 /nfs/dbraw/zinc/27/30/02/609273002.db2.gz GJDPYEFYFWVWNF-ARJAWSKDSA-N -1 3 284.254 1.625 20 30 CDEDHM O=C(C=Cc1ncc[nH]1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402937 609273003 /nfs/dbraw/zinc/27/30/03/609273003.db2.gz GJDPYEFYFWVWNF-ARJAWSKDSA-N -1 3 284.254 1.625 20 30 CDEDHM CC(C)(C#N)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824058878 609354362 /nfs/dbraw/zinc/35/43/62/609354362.db2.gz GXVWQRNACPBKOI-FPLPWBNLSA-N -1 3 297.318 1.973 20 30 CDEDHM CC(C)(C#N)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824058878 609354366 /nfs/dbraw/zinc/35/43/66/609354366.db2.gz GXVWQRNACPBKOI-FPLPWBNLSA-N -1 3 297.318 1.973 20 30 CDEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@H](C)C#N ZINC000826304561 609385179 /nfs/dbraw/zinc/38/51/79/609385179.db2.gz POXUTJTUZLTIFC-SECBINFHSA-N -1 3 293.334 1.717 20 30 CDEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@H](C)C#N ZINC000826304561 609385180 /nfs/dbraw/zinc/38/51/80/609385180.db2.gz POXUTJTUZLTIFC-SECBINFHSA-N -1 3 293.334 1.717 20 30 CDEDHM C#CCCCCNc1nccc(C)c1-c1nnn[n-]1 ZINC000823840729 609574683 /nfs/dbraw/zinc/57/46/83/609574683.db2.gz CONSPJLESSCGGU-UHFFFAOYSA-N -1 3 256.313 1.786 20 30 CDEDHM C#CCCCCNc1nccc(C)c1-c1nn[n-]n1 ZINC000823840729 609574685 /nfs/dbraw/zinc/57/46/85/609574685.db2.gz CONSPJLESSCGGU-UHFFFAOYSA-N -1 3 256.313 1.786 20 30 CDEDHM C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000965941300 613016108 /nfs/dbraw/zinc/01/61/08/613016108.db2.gz PLTGMFWTTYTPHI-CHWSQXEVSA-N -1 3 287.363 1.251 20 30 CDEDHM C#CCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000965266558 613249406 /nfs/dbraw/zinc/24/94/06/613249406.db2.gz HYQJHGRXAYDTOR-JSGCOSHPSA-N -1 3 272.348 1.466 20 30 CDEDHM C=C(Cl)CN1CCN(C(=O)c2c(C)nc[n-]c2=O)CC1 ZINC000949781845 613375103 /nfs/dbraw/zinc/37/51/03/613375103.db2.gz DLIGAYXQAGZDGK-UHFFFAOYSA-N -1 3 296.758 1.001 20 30 CDEDHM COc1cccc([O-])c1C(=O)NCC#C[C@H]1CCCCO1 ZINC000891113039 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CC(C)N(CC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589678550 1173168976 /nfs/dbraw/zinc/16/89/76/1173168976.db2.gz MOIRZXCKEXXABO-UHFFFAOYSA-N -1 3 256.313 1.601 20 30 CDEDHM C[C@@H](CC#N)C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001589788581 1173181467 /nfs/dbraw/zinc/18/14/67/1173181467.db2.gz ZGVKXUMQAIULLM-JTQLQIEISA-N -1 3 284.323 1.075 20 30 CDEDHM C[C@@H](CC#N)C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001589788581 1173181470 /nfs/dbraw/zinc/18/14/70/1173181470.db2.gz ZGVKXUMQAIULLM-JTQLQIEISA-N -1 3 284.323 1.075 20 30 CDEDHM C[C@H](CC#N)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001589788583 1173182256 /nfs/dbraw/zinc/18/22/56/1173182256.db2.gz ZGZLZYYYIMZDBI-NXEZZACHSA-N -1 3 284.323 1.594 20 30 CDEDHM C[C@H](CC#N)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001589788583 1173182258 /nfs/dbraw/zinc/18/22/58/1173182258.db2.gz ZGZLZYYYIMZDBI-NXEZZACHSA-N -1 3 284.323 1.594 20 30 CDEDHM CCC#CCOC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001590355353 1173370837 /nfs/dbraw/zinc/37/08/37/1173370837.db2.gz 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C#CCCCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001602705458 1175367815 /nfs/dbraw/zinc/36/78/15/1175367815.db2.gz YMCNFEQEGQSNFB-UHFFFAOYSA-N -1 3 259.305 1.993 20 30 CDEDHM C#CCN(CC)C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602720348 1175372770 /nfs/dbraw/zinc/37/27/70/1175372770.db2.gz VRKAJZVFFLPJLI-LBPRGKRZSA-N -1 3 297.362 1.527 20 30 CDEDHM C#CCN(CC)C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602720348 1175372773 /nfs/dbraw/zinc/37/27/73/1175372773.db2.gz VRKAJZVFFLPJLI-LBPRGKRZSA-N -1 3 297.362 1.527 20 30 CDEDHM C=C(C)[C@@H](C)OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602753528 1175386626 /nfs/dbraw/zinc/38/66/26/1175386626.db2.gz QLHQPJVJDHBVKZ-SECBINFHSA-N -1 3 273.296 1.692 20 30 CDEDHM C=C(C)[C@@H](C)OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602753528 1175386635 /nfs/dbraw/zinc/38/66/35/1175386635.db2.gz QLHQPJVJDHBVKZ-SECBINFHSA-N -1 3 273.296 1.692 20 30 CDEDHM C=CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602816000 1175414498 /nfs/dbraw/zinc/41/44/98/1175414498.db2.gz 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1.787 20 30 CDEDHM N#Cc1c([N-]C(=O)c2cnsn2)ncc2c1COCC2 ZINC001411449947 931800891 /nfs/dbraw/zinc/80/08/91/931800891.db2.gz YGMZCNZOLJQCNJ-UHFFFAOYSA-N -1 3 287.304 1.130 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(NC(C)=O)cc1 ZINC000846542543 932060026 /nfs/dbraw/zinc/06/00/26/932060026.db2.gz FCLJBJZELMENMY-SNVBAGLBSA-N -1 3 262.309 1.810 20 30 CDEDHM C[C@@H](C#N)c1cccc(C(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001148621962 932762629 /nfs/dbraw/zinc/76/26/29/932762629.db2.gz BJGNHOMWDBKAIS-FZMZJTMJSA-N -1 3 298.346 1.555 20 30 CDEDHM COCc1ccc(Cl)nc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171363695 932867754 /nfs/dbraw/zinc/86/77/54/932867754.db2.gz MFYGMKSIXKBLSO-XVKPBYJWSA-N -1 3 285.731 1.529 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(-c2ncccn2)cn1 ZINC001171365698 932880330 /nfs/dbraw/zinc/88/03/30/932880330.db2.gz IDDHSUFZONPAGD-CABZTGNLSA-N -1 3 285.307 1.187 20 30 CDEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000380209488 934572704 /nfs/dbraw/zinc/57/27/04/934572704.db2.gz 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CDEDHM N#Cc1cnccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001244335647 947368546 /nfs/dbraw/zinc/36/85/46/947368546.db2.gz HMZGMRORUPTUHG-UHFFFAOYSA-N -1 3 266.239 1.939 20 30 CDEDHM C=CCN(C)CCN(CC)C(=O)C1(C(=O)[O-])CCC1 ZINC001602722745 971389326 /nfs/dbraw/zinc/38/93/26/971389326.db2.gz LPXGNKVVTNFTPN-UHFFFAOYSA-N -1 3 268.357 1.208 20 30 CDEDHM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC001602781338 971523281 /nfs/dbraw/zinc/52/32/81/971523281.db2.gz WZQXSWDULXUQLU-YWPYICTPSA-N -1 3 293.367 1.124 20 30 CDEDHM CCCCCCCNC(=S)Nc1cnc(C)[n-]c1=O ZINC001249652032 949730581 /nfs/dbraw/zinc/73/05/81/949730581.db2.gz TYBSDNHUVLITOK-LLVKDONJSA-N -1 3 282.413 1.819 20 30 CDEDHM CN(C)S(=O)(=O)[N-]c1c(Cl)cccc1C#N ZINC001251087157 950596230 /nfs/dbraw/zinc/59/62/30/950596230.db2.gz JHOGOOOYKWIGAN-UHFFFAOYSA-N -1 3 259.718 1.430 20 30 CDEDHM Cc1cnc(Cl)cc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC001333507389 953933749 /nfs/dbraw/zinc/93/37/49/953933749.db2.gz IWJJNBYGSNPEJU-VIFPVBQESA-N -1 3 283.715 1.153 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250.273 1.896 20 30 CDEDHM C#CCN(CC)c1nnc(-c2c[n-]oc2=O)n1CC(C)C ZINC001344881261 964478922 /nfs/dbraw/zinc/47/89/22/964478922.db2.gz XGJRXCJFJNDWGU-UHFFFAOYSA-N -1 3 289.339 1.754 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1CCCO[C@@H]1c1ccnn1C ZINC001553255869 964603770 /nfs/dbraw/zinc/60/37/70/964603770.db2.gz LMZJKCOHKUCERB-AAEUAGOBSA-N -1 3 281.356 1.906 20 30 CDEDHM Cc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)c(F)c1 ZINC000848135221 968755120 /nfs/dbraw/zinc/75/51/20/968755120.db2.gz AUVVIRPEJQBHAF-NSHDSACASA-N -1 3 266.272 1.244 20 30 CDEDHM Cc1cccc([C@H](C)C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000848136517 968755529 /nfs/dbraw/zinc/75/55/29/968755529.db2.gz OACRMQHBNCHQRV-AAEUAGOBSA-N -1 3 276.336 1.595 20 30 CDEDHM C=C(C[N-]S(=O)(=O)c1conc1C)c1ccccc1 ZINC001463819585 969752968 /nfs/dbraw/zinc/75/29/68/969752968.db2.gz OWRROOQPWISUNN-UHFFFAOYSA-N -1 3 278.333 1.975 20 30 CDEDHM C[C@@H](CN(C)CC(=O)N(C)C1(C#N)CCCCC1)C(=O)[O-] ZINC001604158321 972574186 /nfs/dbraw/zinc/57/41/86/972574186.db2.gz 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/nfs/dbraw/zinc/10/53/70/332105370.db2.gz FEHHPYOPRHJHAL-UHFFFAOYSA-N -1 3 252.277 1.057 20 30 CDEDHM C#CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000490866353 332122221 /nfs/dbraw/zinc/12/22/21/332122221.db2.gz OKYSTGHGOJGLGO-UHFFFAOYSA-N -1 3 254.698 1.123 20 30 CDEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1ccc(C)nc1Cl ZINC000491743759 332321927 /nfs/dbraw/zinc/32/19/27/332321927.db2.gz XXNKPVIWNOABQL-VIFPVBQESA-N -1 3 272.757 1.734 20 30 CDEDHM C#CCO[N-]C(=O)/C=C\c1cc(OC)ccc1OC ZINC000493320800 332435309 /nfs/dbraw/zinc/43/53/09/332435309.db2.gz LSYONZZUFICCPL-YVMONPNESA-N -1 3 261.277 1.398 20 30 CDEDHM C=CCO[N-]C(=O)CC[C@H](C)NC(=O)OC(C)(C)C ZINC000495875555 332532583 /nfs/dbraw/zinc/53/25/83/332532583.db2.gz LYSBITRUPNYUJZ-JTQLQIEISA-N -1 3 272.345 1.914 20 30 CDEDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)C#N)c1[N+](=O)[O-] ZINC000190030700 333202116 /nfs/dbraw/zinc/20/21/16/333202116.db2.gz OUZUGNYDXYXNSZ-MRVPVSSYSA-N -1 3 297.336 1.650 20 30 CDEDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)C#N)cc1[N+](=O)[O-] 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COC1(C/N=C\c2c([O-])c(C)ncc2CO)CCOCC1 ZINC000746523212 574874840 /nfs/dbraw/zinc/87/48/40/574874840.db2.gz RFSVYZBKAVSCLK-PXNMLYILSA-N -1 3 294.351 1.202 20 30 CDEDHM COc1cccc([O-])c1/C=N/[C@@H](C(N)=O)C(C)C ZINC000730464664 574982038 /nfs/dbraw/zinc/98/20/38/574982038.db2.gz XTZHDVFORHSAJF-IWTIEGKHSA-N -1 3 250.298 1.330 20 30 CDEDHM C#CCNC(=O)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732279200 575086270 /nfs/dbraw/zinc/08/62/70/575086270.db2.gz GVMAMUGDQZOEOJ-UHFFFAOYSA-N -1 3 292.360 1.055 20 30 CDEDHM CC(N=Nc1ncnc2c1cnn2C)c1sccc1[O-] ZINC000769779249 575383391 /nfs/dbraw/zinc/38/33/91/575383391.db2.gz AXYIHKLWCXUCRA-UHFFFAOYSA-N -1 3 288.336 1.967 20 30 CDEDHM [O-]c1ccc(Br)c(C=NNCCCO)c1 ZINC000769793161 575384755 /nfs/dbraw/zinc/38/47/55/575384755.db2.gz NIYCWYUXSPIBJG-UHFFFAOYSA-N -1 3 273.130 1.461 20 30 CDEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000770378979 575442770 /nfs/dbraw/zinc/44/27/70/575442770.db2.gz NTEJPGSCYIUYAB-VIFPVBQESA-N -1 3 273.304 1.963 20 30 CDEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000770376218 575443069 /nfs/dbraw/zinc/44/30/69/575443069.db2.gz BCYFYVIKVRQWFT-SECBINFHSA-N -1 3 273.304 1.963 20 30 CDEDHM C=CC[C@@H](C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735409801 575460404 /nfs/dbraw/zinc/46/04/04/575460404.db2.gz LJRCSYPIMJSMAY-PBQZMEPESA-N -1 3 283.335 1.961 20 30 CDEDHM C=CC[C@@H](C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735409801 575460405 /nfs/dbraw/zinc/46/04/05/575460405.db2.gz LJRCSYPIMJSMAY-PBQZMEPESA-N -1 3 283.335 1.961 20 30 CDEDHM C[C@H](OC(=O)c1c([O-])cccc1F)C(=O)N(C)CCC#N ZINC000772576049 575724405 /nfs/dbraw/zinc/72/44/05/575724405.db2.gz BSOIFFJQFOWCIH-VIFPVBQESA-N -1 3 294.282 1.449 20 30 CDEDHM N#Cc1ccccc1/C=C\C(=O)[N-]OC1CCOCC1 ZINC000772711592 575741030 /nfs/dbraw/zinc/74/10/30/575741030.db2.gz BHJVRMNNZQUSID-WAYWQWQTSA-N -1 3 272.304 1.798 20 30 CDEDHM CS(=O)(=O)[N-]N=C1CCCc2ccc([N+](=O)[O-])cc21 ZINC000773067408 575779414 /nfs/dbraw/zinc/77/94/14/575779414.db2.gz GVTDAXULNHZYAY-UHFFFAOYSA-N -1 3 283.309 1.184 20 30 CDEDHM CCC[C@H](/N=C\c1ccc(O)c([O-])c1O)C(=O)OC ZINC000773154085 575786310 /nfs/dbraw/zinc/78/63/10/575786310.db2.gz WZIDKUUIUFOJGU-VUPJLDGMSA-N -1 3 267.281 1.564 20 30 CDEDHM C[C@H]1CC(=N[N-]S(=O)(=O)CCc2ccccc2)CCO1 ZINC000773203087 575791027 /nfs/dbraw/zinc/79/10/27/575791027.db2.gz IXVWSBYRDQFULF-LBPRGKRZSA-N -1 3 296.392 1.703 20 30 CDEDHM C#CCN(C(=O)c1c[n-]c2ccccc2c1=O)C1CC1 ZINC000764480228 575914581 /nfs/dbraw/zinc/91/45/81/575914581.db2.gz GOIGNQSZCDKSBK-UHFFFAOYSA-N -1 3 266.300 1.766 20 30 CDEDHM CS(=O)(=O)[N-]N=C1CCC[C@H]1c1ccc(F)cc1 ZINC000764701260 575935764 /nfs/dbraw/zinc/93/57/64/575935764.db2.gz XVKKYOUMISZULJ-NSHDSACASA-N -1 3 270.329 1.998 20 30 CDEDHM Cc1cc(Cl)cc2c1OCCC2=N[N-]S(C)(=O)=O ZINC000764704674 575936230 /nfs/dbraw/zinc/93/62/30/575936230.db2.gz QEAZLTYPKSYALY-UHFFFAOYSA-N -1 3 288.756 1.684 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1ccc(OC(C)C)cc1 ZINC000764706487 575936739 /nfs/dbraw/zinc/93/67/39/575936739.db2.gz DHCLENJEKMGTOV-UHFFFAOYSA-N 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OEIAHWKTKRTKMS-UHFFFAOYSA-N -1 3 258.277 1.004 20 30 CDEDHM CC(C)N1CC(N=Nc2ccc(C(=O)[O-])cn2)[C@@H](C)C1 ZINC000763367915 576732950 /nfs/dbraw/zinc/73/29/50/576732950.db2.gz HNWFPORUAGRZHQ-JTQLQIEISA-N -1 3 276.340 1.908 20 30 CDEDHM Cn1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1 ZINC000763478876 576738662 /nfs/dbraw/zinc/73/86/62/576738662.db2.gz MWQGJCVYUWRJLT-LLVKDONJSA-N -1 3 268.276 1.381 20 30 CDEDHM CCC(C)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000746491797 576779034 /nfs/dbraw/zinc/77/90/34/576779034.db2.gz MEKGEFFRHWDYDW-UHFFFAOYSA-N -1 3 285.325 1.800 20 30 CDEDHM C#CCCN1CCN(C(=O)c2cc(CC)ccc2[O-])CC1 ZINC000748843475 576929083 /nfs/dbraw/zinc/92/90/83/576929083.db2.gz KNPFCSOVZXWDCD-UHFFFAOYSA-N -1 3 286.375 1.736 20 30 CDEDHM Cn1ccnc(NN=Cc2c([O-])cccc2Cl)c1=O ZINC000755763126 576959639 /nfs/dbraw/zinc/95/96/39/576959639.db2.gz PIFCWWKAYULLKP-UHFFFAOYSA-N -1 3 278.699 1.585 20 30 CDEDHM Cn1ccnc(N=NCc2c([O-])cccc2Cl)c1=O ZINC000755763126 576959640 /nfs/dbraw/zinc/95/96/40/576959640.db2.gz PIFCWWKAYULLKP-UHFFFAOYSA-N -1 3 278.699 1.585 20 30 CDEDHM N#Cc1cccnc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822842757 599073642 /nfs/dbraw/zinc/07/36/42/599073642.db2.gz XHSSGJVJIMXFJP-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cccnc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822842757 599073645 /nfs/dbraw/zinc/07/36/45/599073645.db2.gz XHSSGJVJIMXFJP-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM CC(=NN[C@H](C)CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000819773950 607373361 /nfs/dbraw/zinc/37/33/61/607373361.db2.gz XWYBVPWAHAPJJR-SECBINFHSA-N -1 3 269.312 1.482 20 30 CDEDHM CC(=NN[C@H](C)CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000819773950 607373363 /nfs/dbraw/zinc/37/33/63/607373363.db2.gz XWYBVPWAHAPJJR-SECBINFHSA-N -1 3 269.312 1.482 20 30 CDEDHM CC#CCOC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000819766478 599654114 /nfs/dbraw/zinc/65/41/14/599654114.db2.gz ZKEOAWMSPIYOFC-JTQLQIEISA-N -1 3 286.291 1.201 20 30 CDEDHM CC#CCOC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000819766478 599654115 /nfs/dbraw/zinc/65/41/15/599654115.db2.gz ZKEOAWMSPIYOFC-JTQLQIEISA-N -1 3 286.291 1.201 20 30 CDEDHM C=CCOC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000819751109 599657705 /nfs/dbraw/zinc/65/77/05/599657705.db2.gz QBFSABMGWLJGQH-UHFFFAOYSA-N -1 3 259.269 1.008 20 30 CDEDHM N#CC(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C(=O)N1CCCC1 ZINC000833064723 601236984 /nfs/dbraw/zinc/23/69/84/601236984.db2.gz VHNGUSVWAKXJQX-IJLUTSLNSA-N -1 3 292.335 1.209 20 30 CDEDHM C[C@@H](CC(=O)[O-])C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000827239827 602182211 /nfs/dbraw/zinc/18/22/11/602182211.db2.gz DPRFJDFVOUROPE-ONGXEEELSA-N -1 3 280.324 1.255 20 30 CDEDHM C=C(C)[C@@H](CO)Sc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000823872514 607813288 /nfs/dbraw/zinc/81/32/88/607813288.db2.gz ANPPSPPQEUQBGJ-SNVBAGLBSA-N -1 3 291.380 1.908 20 30 CDEDHM C=C(C)[C@@H](CO)Sc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000823872514 607813289 /nfs/dbraw/zinc/81/32/89/607813289.db2.gz ANPPSPPQEUQBGJ-SNVBAGLBSA-N -1 3 291.380 1.908 20 30 CDEDHM C[C@H](c1ccc(C#N)cc1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833545957 604726218 /nfs/dbraw/zinc/72/62/18/604726218.db2.gz CNNVTIXAFFKMKY-LLVKDONJSA-N -1 3 274.320 1.531 20 30 CDEDHM C#CCOCCNc1ccc(-c2nn[n-]n2)cc1C ZINC001602732390 1175376862 /nfs/dbraw/zinc/37/68/62/1175376862.db2.gz ZVDFMSHJCYKMAN-UHFFFAOYSA-N -1 3 257.297 1.237 20 30 CDEDHM CC(C)(O)[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833463457 605048559 /nfs/dbraw/zinc/04/85/59/605048559.db2.gz GFRXYCQKKPGQFL-AWEZNQCLSA-N -1 3 288.347 1.992 20 30 CDEDHM Cc1ncoc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000822481701 606175391 /nfs/dbraw/zinc/17/53/91/606175391.db2.gz BNUXOOLFPZWIFN-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM Cc1ncoc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000822481701 606175392 /nfs/dbraw/zinc/17/53/92/606175392.db2.gz BNUXOOLFPZWIFN-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM CN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821597989 606198095 /nfs/dbraw/zinc/19/80/95/606198095.db2.gz NHAMFQNAYHUFED-UHFFFAOYSA-N -1 3 260.276 1.351 20 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WVLRDCRTFSBARA-SNVBAGLBSA-N -1 3 293.290 1.090 20 30 CDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)[C@H](C#N)c1ccccn1 ZINC000822623430 606406192 /nfs/dbraw/zinc/40/61/92/606406192.db2.gz WVLRDCRTFSBARA-SNVBAGLBSA-N -1 3 293.290 1.090 20 30 CDEDHM N#CCCCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822806756 606467867 /nfs/dbraw/zinc/46/78/67/606467867.db2.gz SSJOSIICNRDZLJ-UHFFFAOYSA-N -1 3 277.309 1.779 20 30 CDEDHM N#CCCCCOC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822806756 606467868 /nfs/dbraw/zinc/46/78/68/606467868.db2.gz SSJOSIICNRDZLJ-UHFFFAOYSA-N -1 3 277.309 1.779 20 30 CDEDHM C[C@@H](C#N)CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819845617 606683140 /nfs/dbraw/zinc/68/31/40/606683140.db2.gz WZBAPSPSBRRZGE-LURJTMIESA-N -1 3 292.249 1.034 20 30 CDEDHM C[C@@H](C#N)CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819845617 606683141 /nfs/dbraw/zinc/68/31/41/606683141.db2.gz WZBAPSPSBRRZGE-LURJTMIESA-N -1 3 292.249 1.034 20 30 CDEDHM C=CC[C@@H](C)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819729126 606685440 /nfs/dbraw/zinc/68/54/40/606685440.db2.gz CSCUFJUMNDTQNL-SSDOTTSWSA-N -1 3 293.277 1.839 20 30 CDEDHM C=CC[C@@H](C)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819729126 606685441 /nfs/dbraw/zinc/68/54/41/606685441.db2.gz CSCUFJUMNDTQNL-SSDOTTSWSA-N -1 3 293.277 1.839 20 30 CDEDHM C=C[C@@H](C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819730003 606813400 /nfs/dbraw/zinc/81/34/00/606813400.db2.gz PIFXAGXCPJLRCI-AAXQSMANSA-N -1 3 269.308 1.571 20 30 CDEDHM C=C[C@@H](C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819730003 606813402 /nfs/dbraw/zinc/81/34/02/606813402.db2.gz PIFXAGXCPJLRCI-AAXQSMANSA-N -1 3 269.308 1.571 20 30 CDEDHM C=C[C@H](C)NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000819729950 606846485 /nfs/dbraw/zinc/84/64/85/606846485.db2.gz NXFCCXKBWHGEAC-VIFPVBQESA-N -1 3 293.352 1.028 20 30 CDEDHM C=C[C@H](C)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000819729950 606846487 /nfs/dbraw/zinc/84/64/87/606846487.db2.gz NXFCCXKBWHGEAC-VIFPVBQESA-N -1 3 293.352 1.028 20 30 CDEDHM N#CCCN(CCC#N)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822811006 606968666 /nfs/dbraw/zinc/96/86/66/606968666.db2.gz QNAPTKPEMNKPGQ-UHFFFAOYSA-N -1 3 299.313 1.635 20 30 CDEDHM N#CCCN(CCC#N)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822811006 606968668 /nfs/dbraw/zinc/96/86/68/606968668.db2.gz QNAPTKPEMNKPGQ-UHFFFAOYSA-N -1 3 299.313 1.635 20 30 CDEDHM CC1(C)C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824795889 607795200 /nfs/dbraw/zinc/79/52/00/607795200.db2.gz HUCPKDKOIBFNCP-LLVKDONJSA-N -1 3 282.307 1.723 20 30 CDEDHM CC1(C)C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824795889 607795201 /nfs/dbraw/zinc/79/52/01/607795201.db2.gz HUCPKDKOIBFNCP-LLVKDONJSA-N -1 3 282.307 1.723 20 30 CDEDHM C[C@]1(C#N)CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824777410 608140240 /nfs/dbraw/zinc/14/02/40/608140240.db2.gz IFSHHCFBHSBZEZ-OAHLLOKOSA-N -1 3 296.334 1.633 20 30 CDEDHM C[C@]1(C#N)CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824777410 608140241 /nfs/dbraw/zinc/14/02/41/608140241.db2.gz IFSHHCFBHSBZEZ-OAHLLOKOSA-N -1 3 296.334 1.633 20 30 CDEDHM C=CCN(C(=O)COc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823899320 608249875 /nfs/dbraw/zinc/24/98/75/608249875.db2.gz SDYFWPKNWJSGHR-UHFFFAOYSA-N -1 3 299.334 1.423 20 30 CDEDHM C=CCN(C(=O)COc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823899320 608249876 /nfs/dbraw/zinc/24/98/76/608249876.db2.gz SDYFWPKNWJSGHR-UHFFFAOYSA-N -1 3 299.334 1.423 20 30 CDEDHM C=CCN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823903645 608267206 /nfs/dbraw/zinc/26/72/06/608267206.db2.gz GGCOKUXEJVDPNF-UHFFFAOYSA-N -1 3 298.350 1.456 20 30 CDEDHM C=CCN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823903645 608267208 /nfs/dbraw/zinc/26/72/08/608267208.db2.gz GGCOKUXEJVDPNF-UHFFFAOYSA-N -1 3 298.350 1.456 20 30 CDEDHM COC[C@@H](C)CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826148568 608537421 /nfs/dbraw/zinc/53/74/21/608537421.db2.gz LMDFNXUEHGDMIE-ZETCQYMHSA-N -1 3 295.734 1.595 20 30 CDEDHM COC[C@@H](C)CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826148568 608537422 /nfs/dbraw/zinc/53/74/22/608537422.db2.gz LMDFNXUEHGDMIE-ZETCQYMHSA-N -1 3 295.734 1.595 20 30 CDEDHM C[C@@H](C#N)CN(C)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824035342 608596429 /nfs/dbraw/zinc/59/64/29/608596429.db2.gz XPCOCFQNAQQEEG-JTQLQIEISA-N -1 3 296.338 1.106 20 30 CDEDHM C[C@@H](C#N)CN(C)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824035342 608596430 /nfs/dbraw/zinc/59/64/30/608596430.db2.gz XPCOCFQNAQQEEG-JTQLQIEISA-N -1 3 296.338 1.106 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000823877815 609188525 /nfs/dbraw/zinc/18/85/25/609188525.db2.gz GJHJLBDYMNZRNC-UHFFFAOYSA-N -1 3 260.301 1.233 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000823877815 609188527 /nfs/dbraw/zinc/18/85/27/609188527.db2.gz GJHJLBDYMNZRNC-UHFFFAOYSA-N -1 3 260.301 1.233 20 30 CDEDHM C[C@@H](C#N)CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824034166 609384029 /nfs/dbraw/zinc/38/40/29/609384029.db2.gz HSGCUWWZCVNALU-VIFPVBQESA-N -1 3 283.339 1.712 20 30 CDEDHM C[C@@H](C#N)CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824034166 609384031 /nfs/dbraw/zinc/38/40/31/609384031.db2.gz HSGCUWWZCVNALU-VIFPVBQESA-N -1 3 283.339 1.712 20 30 CDEDHM Cc1ccnc(Nc2cnn(CC#N)c2)c1-c1nnn[n-]1 ZINC000826314608 609542715 /nfs/dbraw/zinc/54/27/15/609542715.db2.gz FEOKEVDUFJLYAF-UHFFFAOYSA-N -1 3 281.283 1.034 20 30 CDEDHM Cc1ccnc(Nc2cnn(CC#N)c2)c1-c1nn[n-]n1 ZINC000826314608 609542717 /nfs/dbraw/zinc/54/27/17/609542717.db2.gz FEOKEVDUFJLYAF-UHFFFAOYSA-N -1 3 281.283 1.034 20 30 CDEDHM Cc1ccnc(N2CCC(C)(C#N)CC2)c1-c1nnn[n-]1 ZINC000826310012 609586365 /nfs/dbraw/zinc/58/63/65/609586365.db2.gz JBVFAWLLLWKCOX-UHFFFAOYSA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1ccnc(N2CCC(C)(C#N)CC2)c1-c1nn[n-]n1 ZINC000826310012 609586366 /nfs/dbraw/zinc/58/63/66/609586366.db2.gz JBVFAWLLLWKCOX-UHFFFAOYSA-N -1 3 283.339 1.700 20 30 CDEDHM C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000965941303 613023866 /nfs/dbraw/zinc/02/38/66/613023866.db2.gz PLTGMFWTTYTPHI-STQMWFEESA-N -1 3 287.363 1.251 20 30 CDEDHM C=C(C)C[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)OCC ZINC000893552941 618108366 /nfs/dbraw/zinc/10/83/66/618108366.db2.gz UCAUHMCSXNHSAL-GFCCVEGCSA-N -1 3 293.319 1.726 20 30 CDEDHM C=CC[C@H](CO)NCc1ncc(Br)cc1[O-] ZINC000893566807 618133903 /nfs/dbraw/zinc/13/39/03/618133903.db2.gz HLZVKORUTWTRDT-SECBINFHSA-N -1 3 287.157 1.576 20 30 CDEDHM Cc1nc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)ccc1C#N ZINC000894372895 618829634 /nfs/dbraw/zinc/82/96/34/618829634.db2.gz OFXQAUROPKJURY-LLVKDONJSA-N -1 3 269.308 1.684 20 30 CDEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])C(N)=O ZINC000017700940 618840439 /nfs/dbraw/zinc/84/04/39/618840439.db2.gz YUTDRFBGNCBJDJ-ZPORPUSKSA-N -1 3 271.114 1.447 20 30 CDEDHM COCC[C@@H](C)C/N=C/c1c([O-])c(C)ncc1CO ZINC000840708979 620304569 /nfs/dbraw/zinc/30/45/69/620304569.db2.gz ADPZFFUPIWKEIV-XBLUXWHVSA-N -1 3 266.341 1.679 20 30 CDEDHM Cc1ncc(CO)c(/C=N\CCC[C@@H]2CCOC2)c1[O-] ZINC000840711165 620369346 /nfs/dbraw/zinc/36/93/46/620369346.db2.gz VQQAZHSGEIAYPC-VJMCZWTHSA-N -1 3 278.352 1.824 20 30 CDEDHM COc1cc(F)c(S(=O)(=O)[N-]C2(C#N)CC2)cc1F ZINC000903614557 626036608 /nfs/dbraw/zinc/03/66/08/626036608.db2.gz FYVODYAQNPOYOJ-UHFFFAOYSA-N -1 3 288.275 1.308 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1CCCCN1C(=O)CC ZINC000904209000 626213247 /nfs/dbraw/zinc/21/32/47/626213247.db2.gz PMBOJVZMFXJGRF-LLVKDONJSA-N -1 3 256.346 1.795 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000904208714 626213507 /nfs/dbraw/zinc/21/35/07/626213507.db2.gz ICOPUPJALDQYHA-LBPRGKRZSA-N -1 3 263.293 1.786 20 30 CDEDHM CCCCN([O-])C(=O)c1c(=O)[nH]nc(CC)c1CC ZINC000904212093 626226321 /nfs/dbraw/zinc/22/63/21/626226321.db2.gz IYQVTBJIGVGOCM-UHFFFAOYSA-N -1 3 267.329 1.939 20 30 CDEDHM Cc1ncc(CO)c(/C=N\[C@@H]2COC[C@@H]2C)c1[O-] ZINC000905002503 626371737 /nfs/dbraw/zinc/37/17/37/626371737.db2.gz ISIYDGHRXGCMQG-HPGREYBRSA-N -1 3 250.298 1.042 20 30 CDEDHM N#C[C@]1(F)CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000907637060 627755228 /nfs/dbraw/zinc/75/52/28/627755228.db2.gz UDJVUMWICWKFFD-CYBMUJFWSA-N -1 3 276.271 1.137 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H]1CCOC2(CCCC2)C1 ZINC000908407240 628185634 /nfs/dbraw/zinc/18/56/34/628185634.db2.gz USHQQRJZVKQXFE-RYUDHWBXSA-N -1 3 296.367 1.222 20 30 CDEDHM C=CCN1CCC(NC(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1 ZINC000908945583 628427129 /nfs/dbraw/zinc/42/71/29/628427129.db2.gz JNJRAOSSSASWPK-ZDUSSCGKSA-N -1 3 295.383 1.189 20 30 CDEDHM C=CCCOCC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC000910041940 628837655 /nfs/dbraw/zinc/83/76/55/628837655.db2.gz YQIZXHMWWOSRFJ-UHFFFAOYSA-N -1 3 287.323 1.322 20 30 CDEDHM C=CCCOCC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC000910041940 628837657 /nfs/dbraw/zinc/83/76/57/628837657.db2.gz YQIZXHMWWOSRFJ-UHFFFAOYSA-N -1 3 287.323 1.322 20 30 CDEDHM CSCCO[N-]C(=O)CCc1ccc(C#N)cc1 ZINC000794188036 1162463327 /nfs/dbraw/zinc/46/33/27/1162463327.db2.gz NTHWJVDQMOGIAB-UHFFFAOYSA-N -1 3 264.350 1.902 20 30 CDEDHM C=CCOC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602866657 1175440599 /nfs/dbraw/zinc/44/05/99/1175440599.db2.gz HNXGEFJIENKIGB-UHFFFAOYSA-N -1 3 270.292 1.628 20 30 CDEDHM C=CCOC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602866657 1175440601 /nfs/dbraw/zinc/44/06/01/1175440601.db2.gz HNXGEFJIENKIGB-UHFFFAOYSA-N -1 3 270.292 1.628 20 30 CDEDHM CCCCCCCn1cnc(C#N)c1-c1nnn[n-]1 ZINC001604176655 1163115191 /nfs/dbraw/zinc/11/51/91/1163115191.db2.gz UZHASGJEGVMLAW-UHFFFAOYSA-N -1 3 259.317 1.905 20 30 CDEDHM C=C(C)CN1CC(NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001031060814 1161130797 /nfs/dbraw/zinc/13/07/97/1161130797.db2.gz KRFUMNUNHLDRTK-UHFFFAOYSA-N -1 3 288.351 1.050 20 30 CDEDHM CCc1ccccc1CCn1cnc(C#N)c1-c1nnn[n-]1 ZINC001604533246 1163221922 /nfs/dbraw/zinc/22/19/22/1163221922.db2.gz NWLIHXRPPAMPFM-UHFFFAOYSA-N -1 3 293.334 1.740 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000812200231 1163600909 /nfs/dbraw/zinc/60/09/09/1163600909.db2.gz ATZQEYNRQICRMB-ZETCQYMHSA-N -1 3 289.261 1.425 20 30 CDEDHM Cc1cc(C=CC(=O)c2ccnn2C)ccc1-c1nnn[n-]1 ZINC001605652603 1163634485 /nfs/dbraw/zinc/63/44/85/1163634485.db2.gz NWECDLCDCABVJG-GQCTYLIASA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1cc(C=CC(=O)c2ccnn2C)ccc1-c1nn[n-]n1 ZINC001605652603 1163634491 /nfs/dbraw/zinc/63/44/91/1163634491.db2.gz NWECDLCDCABVJG-GQCTYLIASA-N -1 3 294.318 1.805 20 30 CDEDHM N#CC1(CNc2ccc(-c3nn[n-]n3)cc2CO)CCC1 ZINC001606344147 1163867796 /nfs/dbraw/zinc/86/77/96/1163867796.db2.gz YSJVEXIWGVUXRI-UHFFFAOYSA-N -1 3 284.323 1.465 20 30 CDEDHM N#CCC1(CNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001606345951 1163870794 /nfs/dbraw/zinc/87/07/94/1163870794.db2.gz KNAVLCISIYQABJ-UHFFFAOYSA-N -1 3 282.307 1.290 20 30 CDEDHM N#CCC1(CNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001606345951 1163870798 /nfs/dbraw/zinc/87/07/98/1163870798.db2.gz KNAVLCISIYQABJ-UHFFFAOYSA-N -1 3 282.307 1.290 20 30 CDEDHM N#C[C@@H]1CCCN(CCOc2ccccc2-c2nnn[n-]2)C1 ZINC001606346299 1163871701 /nfs/dbraw/zinc/87/17/01/1163871701.db2.gz YSPNHKNHFKBGDR-LBPRGKRZSA-N -1 3 298.350 1.481 20 30 CDEDHM N#C[C@@H]1CCCN(CCOc2ccccc2-c2nn[n-]n2)C1 ZINC001606346299 1163871710 /nfs/dbraw/zinc/87/17/10/1163871710.db2.gz YSPNHKNHFKBGDR-LBPRGKRZSA-N -1 3 298.350 1.481 20 30 CDEDHM N#CCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001606351832 1163875994 /nfs/dbraw/zinc/87/59/94/1163875994.db2.gz UQRPOLFZPFMURE-UHFFFAOYSA-N -1 3 272.337 1.756 20 30 CDEDHM N#CCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001606351832 1163875996 /nfs/dbraw/zinc/87/59/96/1163875996.db2.gz UQRPOLFZPFMURE-UHFFFAOYSA-N -1 3 272.337 1.756 20 30 CDEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)co1 ZINC001606360335 1163878231 /nfs/dbraw/zinc/87/82/31/1163878231.db2.gz VAEURUYJDSOPIJ-UHFFFAOYSA-N -1 3 298.237 1.723 20 30 CDEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)co1 ZINC001606360335 1163878236 /nfs/dbraw/zinc/87/82/36/1163878236.db2.gz VAEURUYJDSOPIJ-UHFFFAOYSA-N -1 3 298.237 1.723 20 30 CDEDHM N#Cc1ccc(Oc2cc(-c3nnn[n-]3)cnn2)cc1 ZINC001606379356 1163883030 /nfs/dbraw/zinc/88/30/30/1163883030.db2.gz RQBOKPXDONLBSX-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM N#Cc1ccc(Oc2cc(-c3nn[n-]n3)cnn2)cc1 ZINC001606379356 1163883035 /nfs/dbraw/zinc/88/30/35/1163883035.db2.gz RQBOKPXDONLBSX-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM CO[C@@H]1CCN(Cc2ccccc2C#N)[C@H](C(=O)[O-])C1 ZINC001606760672 1163985449 /nfs/dbraw/zinc/98/54/49/1163985449.db2.gz LXBMKISLXVKOBZ-KGLIPLIRSA-N -1 3 274.320 1.622 20 30 CDEDHM Cn1ccnc1C(C#N)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001608130957 1164420956 /nfs/dbraw/zinc/42/09/56/1164420956.db2.gz DAUZSDCMIRIPBB-LBPRGKRZSA-N -1 3 283.287 1.537 20 30 CDEDHM C=CC[C@@H](CO)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609053911 1164747708 /nfs/dbraw/zinc/74/77/08/1164747708.db2.gz UYRPXZFVWMCKTR-SNVBAGLBSA-N -1 3 284.323 1.335 20 30 CDEDHM C=CC[C@@H](CO)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609053911 1164747713 /nfs/dbraw/zinc/74/77/13/1164747713.db2.gz UYRPXZFVWMCKTR-SNVBAGLBSA-N -1 3 284.323 1.335 20 30 CDEDHM CC(C)COC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609096419 1164767732 /nfs/dbraw/zinc/76/77/32/1164767732.db2.gz AHNAJLLNQNUEHX-CYBMUJFWSA-N -1 3 299.334 1.748 20 30 CDEDHM CC(C)COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609096419 1164767739 /nfs/dbraw/zinc/76/77/39/1164767739.db2.gz AHNAJLLNQNUEHX-CYBMUJFWSA-N -1 3 299.334 1.748 20 30 CDEDHM Cc1nc(C(=O)N[C@H](C#N)C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001609447703 1164953794 /nfs/dbraw/zinc/95/37/94/1164953794.db2.gz WRGFSPAICSNVMN-LLVKDONJSA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1nc(C(=O)N[C@H](C#N)C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001609447703 1164953797 /nfs/dbraw/zinc/95/37/97/1164953797.db2.gz WRGFSPAICSNVMN-LLVKDONJSA-N -1 3 299.338 1.238 20 30 CDEDHM N#CCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC001609495338 1164976841 /nfs/dbraw/zinc/97/68/41/1164976841.db2.gz DSMNYMCFQSMFHX-UHFFFAOYSA-N -1 3 265.280 1.740 20 30 CDEDHM N#CCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC001609495338 1164976844 /nfs/dbraw/zinc/97/68/44/1164976844.db2.gz DSMNYMCFQSMFHX-UHFFFAOYSA-N -1 3 265.280 1.740 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1nccs1 ZINC001609499919 1164978881 /nfs/dbraw/zinc/97/88/81/1164978881.db2.gz PKVMMQRCOASBMG-UHFFFAOYSA-N -1 3 297.347 1.849 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1nccs1 ZINC001609499919 1164978887 /nfs/dbraw/zinc/97/88/87/1164978887.db2.gz PKVMMQRCOASBMG-UHFFFAOYSA-N -1 3 297.347 1.849 20 30 CDEDHM N#Cc1ncn(C[C@H]2CCc3ccccc32)c1-c1nnn[n-]1 ZINC001609501201 1164978957 /nfs/dbraw/zinc/97/89/57/1164978957.db2.gz HFBWHXIZWRMOJL-LLVKDONJSA-N -1 3 291.318 1.665 20 30 CDEDHM O=C(C=Cc1ncc[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609519937 1164980720 /nfs/dbraw/zinc/98/07/20/1164980720.db2.gz VLGTZRKHULTNLR-AATRIKPKSA-N -1 3 266.264 1.486 20 30 CDEDHM O=C(C=Cc1ncc[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609519937 1164980723 /nfs/dbraw/zinc/98/07/23/1164980723.db2.gz VLGTZRKHULTNLR-AATRIKPKSA-N -1 3 266.264 1.486 20 30 CDEDHM N#C[C@H]1C[C@H]1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001581859928 1172624452 /nfs/dbraw/zinc/62/44/52/1172624452.db2.gz CXTKAWNBJAOXAO-HTQZYQBOSA-N -1 3 273.227 1.071 20 30 CDEDHM N#C[C@H]1C[C@H]1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001581859928 1172624457 /nfs/dbraw/zinc/62/44/57/1172624457.db2.gz CXTKAWNBJAOXAO-HTQZYQBOSA-N -1 3 273.227 1.071 20 30 CDEDHM C#C[C@@H](C)Nc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001588327001 1173021231 /nfs/dbraw/zinc/02/12/31/1173021231.db2.gz ZTGITCVLUVLCTF-ZCFIWIBFSA-N -1 3 293.128 1.458 20 30 CDEDHM C#C[C@@H](C)Nc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001588327001 1173021240 /nfs/dbraw/zinc/02/12/40/1173021240.db2.gz ZTGITCVLUVLCTF-ZCFIWIBFSA-N -1 3 293.128 1.458 20 30 CDEDHM C#C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1C)C1CC1 ZINC001588328211 1173031334 /nfs/dbraw/zinc/03/13/34/1173031334.db2.gz AWVQZQXDUUVPDT-ZDUSSCGKSA-N -1 3 282.303 1.744 20 30 CDEDHM C#C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1C)C1CC1 ZINC001588328211 1173031340 /nfs/dbraw/zinc/03/13/40/1173031340.db2.gz AWVQZQXDUUVPDT-ZDUSSCGKSA-N -1 3 282.303 1.744 20 30 CDEDHM C#C[C@@H](Nc1cc(-c2nnn[n-]2)cnn1)c1ccccc1 ZINC001588329133 1173031513 /nfs/dbraw/zinc/03/15/13/1173031513.db2.gz YJVILDDQYRDAEB-GFCCVEGCSA-N -1 3 277.291 1.443 20 30 CDEDHM C#C[C@@H](Nc1cc(-c2nn[n-]n2)cnn1)c1ccccc1 ZINC001588329133 1173031518 /nfs/dbraw/zinc/03/15/18/1173031518.db2.gz YJVILDDQYRDAEB-GFCCVEGCSA-N -1 3 277.291 1.443 20 30 CDEDHM C#C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)[C@@H]1CCCO1 ZINC001588329183 1173031597 /nfs/dbraw/zinc/03/15/97/1173031597.db2.gz ZXRSMBSXSWLFQH-NEPJUHHUSA-N -1 3 284.323 1.163 20 30 CDEDHM C#C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)[C@@H]1CCCO1 ZINC001588329183 1173031602 /nfs/dbraw/zinc/03/16/02/1173031602.db2.gz ZXRSMBSXSWLFQH-NEPJUHHUSA-N -1 3 284.323 1.163 20 30 CDEDHM C#C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1C)C1CC1 ZINC001588328210 1173032316 /nfs/dbraw/zinc/03/23/16/1173032316.db2.gz AWVQZQXDUUVPDT-CYBMUJFWSA-N -1 3 282.303 1.744 20 30 CDEDHM C#C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1C)C1CC1 ZINC001588328210 1173032320 /nfs/dbraw/zinc/03/23/20/1173032320.db2.gz AWVQZQXDUUVPDT-CYBMUJFWSA-N -1 3 282.303 1.744 20 30 CDEDHM C#CC[C@H](CCOC)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001588331820 1173032959 /nfs/dbraw/zinc/03/29/59/1173032959.db2.gz SDWNBCKRFZAGJN-GFCCVEGCSA-N -1 3 286.339 1.410 20 30 CDEDHM C#CC[C@H](CCOC)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001588331820 1173032968 /nfs/dbraw/zinc/03/29/68/1173032968.db2.gz SDWNBCKRFZAGJN-GFCCVEGCSA-N -1 3 286.339 1.410 20 30 CDEDHM C#CCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001588340815 1173043687 /nfs/dbraw/zinc/04/36/87/1173043687.db2.gz HJGQGWKSBDOSSC-UHFFFAOYSA-N -1 3 269.308 1.917 20 30 CDEDHM C#CCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001588340815 1173043693 /nfs/dbraw/zinc/04/36/93/1173043693.db2.gz HJGQGWKSBDOSSC-UHFFFAOYSA-N -1 3 269.308 1.917 20 30 CDEDHM C#CCCCC(=O)OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588342259 1173044618 /nfs/dbraw/zinc/04/46/18/1173044618.db2.gz WOASSQGKVSXAGP-UHFFFAOYSA-N -1 3 288.282 1.853 20 30 CDEDHM C#CCCCC(=O)OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588342259 1173044623 /nfs/dbraw/zinc/04/46/23/1173044623.db2.gz WOASSQGKVSXAGP-UHFFFAOYSA-N -1 3 288.282 1.853 20 30 CDEDHM C#CCCCCCC(=O)NOc1cccc(-c2nnn[n-]2)c1 ZINC001588344723 1173045393 /nfs/dbraw/zinc/04/53/93/1173045393.db2.gz BMXFFBPDSLTUGC-UHFFFAOYSA-N -1 3 299.334 1.860 20 30 CDEDHM C#CCCCCCC(=O)NOc1cccc(-c2nn[n-]n2)c1 ZINC001588344723 1173045398 /nfs/dbraw/zinc/04/53/98/1173045398.db2.gz BMXFFBPDSLTUGC-UHFFFAOYSA-N -1 3 299.334 1.860 20 30 CDEDHM C#CCCCCNC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001588346133 1173047411 /nfs/dbraw/zinc/04/74/11/1173047411.db2.gz YRLXUXQARAFLFG-UHFFFAOYSA-N -1 3 287.298 1.539 20 30 CDEDHM C#CCCCCNC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001588346133 1173047416 /nfs/dbraw/zinc/04/74/16/1173047416.db2.gz YRLXUXQARAFLFG-UHFFFAOYSA-N -1 3 287.298 1.539 20 30 CDEDHM C#CCN(c1ncc(Cl)c(C)c1-c1nnn[n-]1)C1CC1 ZINC001588352096 1173051374 /nfs/dbraw/zinc/05/13/74/1173051374.db2.gz SLDNVJDTZXFOJJ-UHFFFAOYSA-N -1 3 288.742 1.826 20 30 CDEDHM C#CCN(c1ncc(Cl)c(C)c1-c1nn[n-]n1)C1CC1 ZINC001588352096 1173051378 /nfs/dbraw/zinc/05/13/78/1173051378.db2.gz SLDNVJDTZXFOJJ-UHFFFAOYSA-N -1 3 288.742 1.826 20 30 CDEDHM C#CCO[C@H](C)C(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588360361 1173054782 /nfs/dbraw/zinc/05/47/82/1173054782.db2.gz OUQSKEYJTBGJSP-MRVPVSSYSA-N -1 3 291.336 1.213 20 30 CDEDHM C#CCO[C@H](C)C(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588360361 1173054786 /nfs/dbraw/zinc/05/47/86/1173054786.db2.gz OUQSKEYJTBGJSP-MRVPVSSYSA-N -1 3 291.336 1.213 20 30 CDEDHM C=CCC(C)(C)CNc1cc(-c2nnn[n-]2)cnn1 ZINC001588539447 1173078824 /nfs/dbraw/zinc/07/88/24/1173078824.db2.gz LEPCGYNCUKOHKA-UHFFFAOYSA-N -1 3 259.317 1.671 20 30 CDEDHM C=CCC(C)(C)CNc1cc(-c2nn[n-]n2)cnn1 ZINC001588539447 1173078828 /nfs/dbraw/zinc/07/88/28/1173078828.db2.gz LEPCGYNCUKOHKA-UHFFFAOYSA-N -1 3 259.317 1.671 20 30 CDEDHM C=CCN(CC=C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588631646 1173094469 /nfs/dbraw/zinc/09/44/69/1173094469.db2.gz KGEQMFYQFUOPEV-UHFFFAOYSA-N -1 3 283.335 1.610 20 30 CDEDHM C=CCN(CC=C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588631646 1173094473 /nfs/dbraw/zinc/09/44/73/1173094473.db2.gz KGEQMFYQFUOPEV-UHFFFAOYSA-N -1 3 283.335 1.610 20 30 CDEDHM C=CCN1CC[C@@H](Oc2ccccc2-c2nnn[n-]2)C1=O ZINC001588657785 1173095603 /nfs/dbraw/zinc/09/56/03/1173095603.db2.gz WOUILVIGAPJYJN-GFCCVEGCSA-N -1 3 285.307 1.032 20 30 CDEDHM C=CCN1CC[C@@H](Oc2ccccc2-c2nn[n-]n2)C1=O ZINC001588657785 1173095610 /nfs/dbraw/zinc/09/56/10/1173095610.db2.gz WOUILVIGAPJYJN-GFCCVEGCSA-N -1 3 285.307 1.032 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588728707 1173101098 /nfs/dbraw/zinc/10/10/98/1173101098.db2.gz WBEQMYBLUQKQQA-ZJUUUORDSA-N -1 3 258.285 1.017 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588728707 1173101104 /nfs/dbraw/zinc/10/11/04/1173101104.db2.gz WBEQMYBLUQKQQA-ZJUUUORDSA-N -1 3 258.285 1.017 20 30 CDEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(CO)on1 ZINC001588780942 1173104941 /nfs/dbraw/zinc/10/49/41/1173104941.db2.gz UUUHYOKRXYJWIR-UHFFFAOYSA-N -1 3 299.294 1.183 20 30 CDEDHM C[C@H](C#N)N(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588934375 1173115264 /nfs/dbraw/zinc/11/52/64/1173115264.db2.gz KGQSZYPTPVSDCL-SNVBAGLBSA-N -1 3 296.334 1.312 20 30 CDEDHM C[C@H](C#N)N(C(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588934375 1173115271 /nfs/dbraw/zinc/11/52/71/1173115271.db2.gz KGQSZYPTPVSDCL-SNVBAGLBSA-N -1 3 296.334 1.312 20 30 CDEDHM C[C@H](C#N)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588934804 1173117246 /nfs/dbraw/zinc/11/72/46/1173117246.db2.gz VXNSWDCAXBBSQU-SSDOTTSWSA-N -1 3 273.256 1.346 20 30 CDEDHM C[C@H](C#N)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588934804 1173117249 /nfs/dbraw/zinc/11/72/49/1173117249.db2.gz VXNSWDCAXBBSQU-SSDOTTSWSA-N -1 3 273.256 1.346 20 30 CDEDHM CC(C[C@@H]1CCOC1)N=Nc1ccc(-c2nnn[n-]2)cn1 ZINC001589801406 1173185267 /nfs/dbraw/zinc/18/52/67/1173185267.db2.gz CNJKSFSYNWGORW-JTQLQIEISA-N -1 3 287.327 1.476 20 30 CDEDHM CC(C[C@@H]1CCOC1)N=Nc1ccc(-c2nn[n-]n2)cn1 ZINC001589801406 1173185268 /nfs/dbraw/zinc/18/52/68/1173185268.db2.gz CNJKSFSYNWGORW-JTQLQIEISA-N -1 3 287.327 1.476 20 30 CDEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)CC#N ZINC001589892210 1173197367 /nfs/dbraw/zinc/19/73/67/1173197367.db2.gz WHICYIKQYIOTGR-JTQLQIEISA-N -1 3 284.323 1.027 20 30 CDEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CC#N ZINC001589892210 1173197369 /nfs/dbraw/zinc/19/73/69/1173197369.db2.gz WHICYIKQYIOTGR-JTQLQIEISA-N -1 3 284.323 1.027 20 30 CDEDHM CC[C@@H](C#N)OC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001590367544 1173375518 /nfs/dbraw/zinc/37/55/18/1173375518.db2.gz CJMWJTAVYCJTML-LBPRGKRZSA-N -1 3 299.334 1.871 20 30 CDEDHM CC[C@@H](C#N)OC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001590367544 1173375528 /nfs/dbraw/zinc/37/55/28/1173375528.db2.gz CJMWJTAVYCJTML-LBPRGKRZSA-N -1 3 299.334 1.871 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001590371526 1173381692 /nfs/dbraw/zinc/38/16/92/1173381692.db2.gz CHUYEKCJGVRYGB-HNNXBMFYSA-N -1 3 298.350 1.465 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001590371526 1173381696 /nfs/dbraw/zinc/38/16/96/1173381696.db2.gz CHUYEKCJGVRYGB-HNNXBMFYSA-N -1 3 298.350 1.465 20 30 CDEDHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C)C#N ZINC001590833237 1173526321 /nfs/dbraw/zinc/52/63/21/1173526321.db2.gz GIAWCEUUEAWWBT-MRVPVSSYSA-N -1 3 258.285 1.589 20 30 CDEDHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C)C#N ZINC001590833237 1173526326 /nfs/dbraw/zinc/52/63/26/1173526326.db2.gz GIAWCEUUEAWWBT-MRVPVSSYSA-N -1 3 258.285 1.589 20 30 CDEDHM Cc1c(C(=O)OC[C@@H](C)C#N)cccc1-c1nnn[n-]1 ZINC001591812984 1173708587 /nfs/dbraw/zinc/70/85/87/1173708587.db2.gz MVTIBZCDRHVQON-QMMMGPOBSA-N -1 3 271.280 1.492 20 30 CDEDHM Cc1c(C(=O)OC[C@@H](C)C#N)cccc1-c1nn[n-]n1 ZINC001591812984 1173708597 /nfs/dbraw/zinc/70/85/97/1173708597.db2.gz MVTIBZCDRHVQON-QMMMGPOBSA-N -1 3 271.280 1.492 20 30 CDEDHM Cc1cc(NC(=O)C(C)(C)C#N)cc(-c2nnn[n-]2)c1 ZINC001592013996 1173774353 /nfs/dbraw/zinc/77/43/53/1173774353.db2.gz WMSORIZQJRFJTH-UHFFFAOYSA-N -1 3 270.296 1.663 20 30 CDEDHM Cc1cc(NC(=O)C(C)(C)C#N)cc(-c2nn[n-]n2)c1 ZINC001592013996 1173774357 /nfs/dbraw/zinc/77/43/57/1173774357.db2.gz WMSORIZQJRFJTH-UHFFFAOYSA-N -1 3 270.296 1.663 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)OC[C@H](C)C#N ZINC001592100605 1173798360 /nfs/dbraw/zinc/79/83/60/1173798360.db2.gz YVXMDHVGYDGLQR-MRVPVSSYSA-N -1 3 271.280 1.492 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)OC[C@H](C)C#N ZINC001592100605 1173798364 /nfs/dbraw/zinc/79/83/64/1173798364.db2.gz YVXMDHVGYDGLQR-MRVPVSSYSA-N -1 3 271.280 1.492 20 30 CDEDHM Cc1noc(C)c1CCn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001592458127 1173897465 /nfs/dbraw/zinc/89/74/65/1173897465.db2.gz ICQBVKVYSCEBCI-UHFFFAOYSA-N -1 3 298.310 1.091 20 30 CDEDHM Cc1noc(C)c1CCn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001592458127 1173897469 /nfs/dbraw/zinc/89/74/69/1173897469.db2.gz ICQBVKVYSCEBCI-UHFFFAOYSA-N -1 3 298.310 1.091 20 30 CDEDHM N#CC1(C[C@@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001592668756 1173959800 /nfs/dbraw/zinc/95/98/00/1173959800.db2.gz OUCFBNGOIQSNSJ-SNVBAGLBSA-N -1 3 285.307 1.300 20 30 CDEDHM N#CC1(C[C@@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001592668756 1173959805 /nfs/dbraw/zinc/95/98/05/1173959805.db2.gz OUCFBNGOIQSNSJ-SNVBAGLBSA-N -1 3 285.307 1.300 20 30 CDEDHM N#CC1(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001592666466 1173960706 /nfs/dbraw/zinc/96/07/06/1173960706.db2.gz FULAGRYPSQXBMH-UHFFFAOYSA-N -1 3 287.254 1.605 20 30 CDEDHM N#CC1(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001592666466 1173960711 /nfs/dbraw/zinc/96/07/11/1173960711.db2.gz FULAGRYPSQXBMH-UHFFFAOYSA-N -1 3 287.254 1.605 20 30 CDEDHM N#CC1(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CCC1 ZINC001592668953 1173961299 /nfs/dbraw/zinc/96/12/99/1173961299.db2.gz KIJIIGXGBDMFGZ-UHFFFAOYSA-N -1 3 294.318 1.403 20 30 CDEDHM N#CC1(C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CCC1 ZINC001592668953 1173961303 /nfs/dbraw/zinc/96/13/03/1173961303.db2.gz KIJIIGXGBDMFGZ-UHFFFAOYSA-N -1 3 294.318 1.403 20 30 CDEDHM N#CC1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC001592672147 1173963177 /nfs/dbraw/zinc/96/31/77/1173963177.db2.gz YKBPQMIOACPYCH-UHFFFAOYSA-N -1 3 295.228 1.240 20 30 CDEDHM N#CC1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC001592672147 1173963187 /nfs/dbraw/zinc/96/31/87/1173963187.db2.gz YKBPQMIOACPYCH-UHFFFAOYSA-N -1 3 295.228 1.240 20 30 CDEDHM N#C[C@@H]1CCCN(Cc2csc(-c3nnn[n-]3)c2)C1 ZINC001592672235 1173963760 /nfs/dbraw/zinc/96/37/60/1173963760.db2.gz FPBIEZAHSXEDCP-VIFPVBQESA-N -1 3 274.353 1.664 20 30 CDEDHM N#CCN(Cc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001592677333 1173969313 /nfs/dbraw/zinc/96/93/13/1173969313.db2.gz JGUAICAHUXRLDL-UHFFFAOYSA-N -1 3 283.339 1.530 20 30 CDEDHM N#CCN(Cc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001592677333 1173969321 /nfs/dbraw/zinc/96/93/21/1173969321.db2.gz JGUAICAHUXRLDL-UHFFFAOYSA-N -1 3 283.339 1.530 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCn2ccnc21 ZINC001592698570 1173975983 /nfs/dbraw/zinc/97/59/83/1173975983.db2.gz DBBNISUDBQJMMM-LLVKDONJSA-N -1 3 292.306 1.492 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCn2ccnc21 ZINC001592698570 1173975995 /nfs/dbraw/zinc/97/59/95/1173975995.db2.gz DBBNISUDBQJMMM-LLVKDONJSA-N -1 3 292.306 1.492 20 30 CDEDHM c1nc2c(cc1-c1nnn[n-]1)CCCC2=NOC1CCC1 ZINC001593592145 1174161172 /nfs/dbraw/zinc/16/11/72/1174161172.db2.gz UDUJCNKKNSMDCP-UHFFFAOYSA-N -1 3 284.323 1.871 20 30 CDEDHM c1nc2c(cc1-c1nn[n-]n1)CCCC2=NOC1CCC1 ZINC001593592145 1174161178 /nfs/dbraw/zinc/16/11/78/1174161178.db2.gz UDUJCNKKNSMDCP-UHFFFAOYSA-N -1 3 284.323 1.871 20 30 CDEDHM C#C[C@@H](CC)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602690032 1175353182 /nfs/dbraw/zinc/35/31/82/1175353182.db2.gz YKECFWZAOLKHKI-QMMMGPOBSA-N -1 3 272.268 1.599 20 30 CDEDHM C#C[C@@H](CC)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602690032 1175353189 /nfs/dbraw/zinc/35/31/89/1175353189.db2.gz YKECFWZAOLKHKI-QMMMGPOBSA-N -1 3 272.268 1.599 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602689904 1175355959 /nfs/dbraw/zinc/35/59/59/1175355959.db2.gz ORFNRFULRWWSBD-LLVKDONJSA-N -1 3 295.346 1.378 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602689904 1175355967 /nfs/dbraw/zinc/35/59/67/1175355967.db2.gz ORFNRFULRWWSBD-LLVKDONJSA-N -1 3 295.346 1.378 20 30 CDEDHM C#CCCNC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001602712048 1175368553 /nfs/dbraw/zinc/36/85/53/1175368553.db2.gz BZFLKOUILLZZAF-UHFFFAOYSA-N -1 3 269.308 1.237 20 30 CDEDHM C#CCCNC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001602712048 1175368559 /nfs/dbraw/zinc/36/85/59/1175368559.db2.gz BZFLKOUILLZZAF-UHFFFAOYSA-N -1 3 269.308 1.237 20 30 CDEDHM C#CCCCNc1ccc(-c2nn[n-]n2)cc1OC ZINC001602711405 1175369997 /nfs/dbraw/zinc/36/99/97/1175369997.db2.gz SSPBADXOJWZTBQ-UHFFFAOYSA-N -1 3 257.297 1.701 20 30 CDEDHM C#CCOCCN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001602728539 1175377046 /nfs/dbraw/zinc/37/70/46/1175377046.db2.gz VMLCBBMFLNGTFI-JTQLQIEISA-N -1 3 280.349 1.280 20 30 CDEDHM C=C(C)C[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001602753332 1175387433 /nfs/dbraw/zinc/38/74/33/1175387433.db2.gz OCPIRQILDAJLCK-VIFPVBQESA-N -1 3 278.291 1.140 20 30 CDEDHM C=C(C)C[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001602753332 1175387438 /nfs/dbraw/zinc/38/74/38/1175387438.db2.gz OCPIRQILDAJLCK-VIFPVBQESA-N -1 3 278.291 1.140 20 30 CDEDHM C=CCN(C)CCN(CC)Cc1cc(C(=O)[O-])no1 ZINC001602886888 1175444940 /nfs/dbraw/zinc/44/49/40/1175444940.db2.gz BWXBJPZWOUVTNZ-UHFFFAOYSA-N -1 3 267.329 1.313 20 30 CDEDHM C[C@H](CC#N)N(C)c1nc2ncccc2cc1-c1nnn[n-]1 ZINC001603442708 1175554012 /nfs/dbraw/zinc/55/40/12/1175554012.db2.gz MVBSPHFHZBZKOU-SECBINFHSA-N -1 3 294.322 1.548 20 30 CDEDHM C[C@H](CC#N)N(C)c1nc2ncccc2cc1-c1nn[n-]n1 ZINC001603442708 1175554017 /nfs/dbraw/zinc/55/40/17/1175554017.db2.gz MVBSPHFHZBZKOU-SECBINFHSA-N -1 3 294.322 1.548 20 30 CDEDHM C[C@@H](CC#N)NC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001603441676 1175554762 /nfs/dbraw/zinc/55/47/62/1175554762.db2.gz BPXCYFRLGXJWOC-JTQLQIEISA-N -1 3 298.350 1.563 20 30 CDEDHM C[C@@H](CC#N)NC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001603441676 1175554768 /nfs/dbraw/zinc/55/47/68/1175554768.db2.gz BPXCYFRLGXJWOC-JTQLQIEISA-N -1 3 298.350 1.563 20 30 CDEDHM C[C@H]1COCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001603947782 1175693903 /nfs/dbraw/zinc/69/39/03/1175693903.db2.gz IVAHJXBKKLHKJW-SNVBAGLBSA-N -1 3 284.323 1.211 20 30 CDEDHM C[C@H]1COCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001603947782 1175693907 /nfs/dbraw/zinc/69/39/07/1175693907.db2.gz IVAHJXBKKLHKJW-SNVBAGLBSA-N -1 3 284.323 1.211 20 30 CDEDHM N#CCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC001606349512 1163874832 /nfs/dbraw/zinc/87/48/32/1163874832.db2.gz OZELBZKQZJAXAU-UHFFFAOYSA-N -1 3 255.285 1.076 20 30 CDEDHM N#CCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001606349512 1163874842 /nfs/dbraw/zinc/87/48/42/1163874842.db2.gz OZELBZKQZJAXAU-UHFFFAOYSA-N -1 3 255.285 1.076 20 30 CDEDHM CCCCN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001609210058 1164848676 /nfs/dbraw/zinc/84/86/76/1164848676.db2.gz WMIHQYVDVHVRMJ-UHFFFAOYSA-N -1 3 256.313 1.975 20 30 CDEDHM CCCCN(C)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001609210058 1164848682 /nfs/dbraw/zinc/84/86/82/1164848682.db2.gz WMIHQYVDVHVRMJ-UHFFFAOYSA-N -1 3 256.313 1.975 20 30 CDEDHM Cl/C=C/CON=Cc1cccc(-c2nnn[n-]2)c1 ZINC001609472145 1164965635 /nfs/dbraw/zinc/96/56/35/1164965635.db2.gz QAQTUXJANUIWPB-VHDODGMTSA-N -1 3 263.688 1.970 20 30 CDEDHM Cl/C=C/CON=Cc1cccc(-c2nn[n-]n2)c1 ZINC001609472145 1164965640 /nfs/dbraw/zinc/96/56/40/1164965640.db2.gz QAQTUXJANUIWPB-VHDODGMTSA-N -1 3 263.688 1.970 20 30 CDEDHM CC[C@@](COC)(NCc1ccc(C#N)cc1OC)C(=O)[O-] ZINC001609926330 1165149009 /nfs/dbraw/zinc/14/90/09/1165149009.db2.gz OLGWJLSYJXKFNO-HNNXBMFYSA-N -1 3 292.335 1.536 20 30 CDEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2cnccn2)[n-]1 ZINC001225470140 1167380403 /nfs/dbraw/zinc/38/04/03/1167380403.db2.gz RWLSVUXJKUCEIE-VIFPVBQESA-N -1 3 256.265 1.897 20 30 CDEDHM C=C[C@@H](NCc1cc(OC)ccc1OC)C(=O)[O-] ZINC001602819295 1167830884 /nfs/dbraw/zinc/83/08/84/1167830884.db2.gz RTFXCZNLMFUFGS-LLVKDONJSA-N -1 3 251.282 1.433 20 30 CDEDHM N#CC(=C([O-])c1ccc2n[nH]c(=O)n2c1)c1ccccn1 ZINC001122415502 913729359 /nfs/dbraw/zinc/72/93/59/913729359.db2.gz VGFPCGPFMRKSQB-SNVBAGLBSA-N -1 3 279.259 1.320 20 30 CDEDHM N#Cc1ccc(CCNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001167679025 897957881 /nfs/dbraw/zinc/95/78/81/897957881.db2.gz INTMUKNZYLONLK-UHFFFAOYSA-N -1 3 291.318 1.788 20 30 CDEDHM N#Cc1ccc(CCNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001167679025 897957891 /nfs/dbraw/zinc/95/78/91/897957891.db2.gz INTMUKNZYLONLK-UHFFFAOYSA-N -1 3 291.318 1.788 20 30 CDEDHM O=C(Cc1c(F)c(F)nc(F)c1F)[N-]CC(F)(F)F ZINC001177474706 914693864 /nfs/dbraw/zinc/69/38/64/914693864.db2.gz OXELRKVRZGZMBW-UHFFFAOYSA-N -1 3 290.138 1.859 20 30 CDEDHM C=C[C@H](Oc1[n-]c(=S)ncc1C1CC1)C(=O)OC ZINC001226120885 904883115 /nfs/dbraw/zinc/88/31/15/904883115.db2.gz VYQRXNXTBXPWIP-VIFPVBQESA-N -1 3 266.322 1.749 20 30 CDEDHM C[C@@](O)(CC(=O)Nc1ccc([O-])c(C#N)c1)C(F)(F)F ZINC001179813395 915994600 /nfs/dbraw/zinc/99/46/00/915994600.db2.gz CPIBVEWACYAXPS-LLVKDONJSA-N -1 3 288.225 1.906 20 30 CDEDHM C=CCSCC(=O)Nc1nc[n-]c1C(=O)OCC ZINC001180553354 916457396 /nfs/dbraw/zinc/45/73/96/916457396.db2.gz BBAGWVHLJPZMJQ-UHFFFAOYSA-N -1 3 269.326 1.444 20 30 CDEDHM C=CCSCC(=O)Nc1[n-]cnc1C(=O)OCC ZINC001180553354 916457406 /nfs/dbraw/zinc/45/74/06/916457406.db2.gz BBAGWVHLJPZMJQ-UHFFFAOYSA-N -1 3 269.326 1.444 20 30 CDEDHM Cc1noc([N-]C(=O)C(=O)Cc2ccccc2)c1C#N ZINC001181375728 917026920 /nfs/dbraw/zinc/02/69/20/917026920.db2.gz PNQSLDWSIYCXNL-UHFFFAOYSA-N -1 3 269.260 1.605 20 30 CDEDHM C#CC(C)(C)C(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001182635021 917995468 /nfs/dbraw/zinc/99/54/68/917995468.db2.gz AJKDOWAWLYKHOW-UHFFFAOYSA-N -1 3 296.330 1.828 20 30 CDEDHM COC(=O)N[C@H](C(=O)Nc1ccc([O-])c(C#N)c1)C(C)C ZINC001183951910 918781885 /nfs/dbraw/zinc/78/18/85/918781885.db2.gz MCEPXFOOXDINTH-LBPRGKRZSA-N -1 3 291.307 1.583 20 30 CDEDHM CCC(C#N)(CC)[N-]S(=O)(=O)c1cnoc1C ZINC001187421098 920536901 /nfs/dbraw/zinc/53/69/01/920536901.db2.gz NBWJALAFVJSVCI-UHFFFAOYSA-N -1 3 257.315 1.344 20 30 CDEDHM Cc1oncc1S(=O)(=O)[N-]CCc1ccc(C#N)cc1 ZINC001187390312 920541271 /nfs/dbraw/zinc/54/12/71/920541271.db2.gz FCNXGPQXOWVRIR-UHFFFAOYSA-N -1 3 291.332 1.376 20 30 CDEDHM CSc1ccc(NC(=O)N[C@@H]2C(=O)N([O-])C[C@@H]2C)cc1 ZINC001188128798 920845850 /nfs/dbraw/zinc/84/58/50/920845850.db2.gz UNQJTNDLAPVMLD-KWQFWETISA-N -1 3 295.364 1.766 20 30 CDEDHM Cc1nc(NC(=O)c2ccnc(C#N)c2)cc(=O)[n-]1 ZINC001191540625 922625635 /nfs/dbraw/zinc/62/56/35/922625635.db2.gz SGTJDDJQNKPIRL-UHFFFAOYSA-N -1 3 255.237 1.010 20 30 CDEDHM CCOC(=O)c1[n-]cnc1NC(=O)c1cnc(C)c(C#N)c1 ZINC001192286265 922992825 /nfs/dbraw/zinc/99/28/25/922992825.db2.gz JWJUNLVXIRESJI-UHFFFAOYSA-N -1 3 299.290 1.414 20 30 CDEDHM CCOC(=O)c1nc[n-]c1NC(=O)c1cnc(C)c(C#N)c1 ZINC001192286265 922992836 /nfs/dbraw/zinc/99/28/36/922992836.db2.gz JWJUNLVXIRESJI-UHFFFAOYSA-N -1 3 299.290 1.414 20 30 CDEDHM N#CCc1cc([N-]S(=O)(=O)CC#N)ccc1F ZINC001192988145 923369884 /nfs/dbraw/zinc/36/98/84/923369884.db2.gz KCZIWKFYXQPTMD-UHFFFAOYSA-N -1 3 253.258 1.157 20 30 CDEDHM C[C@@H](C#N)S(=O)(=O)[N-]C1=CC(=O)CC(C)(C)C1 ZINC001193172938 923475509 /nfs/dbraw/zinc/47/55/09/923475509.db2.gz GPMUKJSOJGSOJZ-QMMMGPOBSA-N -1 3 256.327 1.091 20 30 CDEDHM 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279.259 1.787 20 30 CDEDHM N#Cc1nc(NCc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC001169726920 928351181 /nfs/dbraw/zinc/35/11/81/928351181.db2.gz GBMNMTGOYPDEPB-UHFFFAOYSA-N -1 3 271.236 1.574 20 30 CDEDHM C=CCOC[C@H](O)CNc1cc(=O)[n-]c(C2CC2)n1 ZINC001252453118 928385053 /nfs/dbraw/zinc/38/50/53/928385053.db2.gz BUWWJVKLIUXEML-SNVBAGLBSA-N -1 3 265.313 1.035 20 30 CDEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccnc2[nH]ccc21 ZINC001150969561 937259938 /nfs/dbraw/zinc/25/99/38/937259938.db2.gz DESVEZPDENTSBJ-UHFFFAOYSA-N -1 3 295.302 1.954 20 30 CDEDHM C#C[C@@H](NCc1cc(F)cc(F)c1[O-])[C@H]1CCCO1 ZINC000883091687 930141097 /nfs/dbraw/zinc/14/10/97/930141097.db2.gz UQBXOMUJDREVFC-CHWSQXEVSA-N -1 3 267.275 1.941 20 30 CDEDHM Cc1ccc2ncc([O-])c(C(=O)N3CCNC[C@H]3C#N)c2c1 ZINC001154530041 937554791 /nfs/dbraw/zinc/55/47/91/937554791.db2.gz UDBPMEMIQDAWBG-LLVKDONJSA-N -1 3 296.330 1.186 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cccc(Cc2ccncc2)n1 ZINC001171365221 932871781 /nfs/dbraw/zinc/87/17/81/932871781.db2.gz 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N#CC[C@H]1CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000397683669 345251231 /nfs/dbraw/zinc/25/12/31/345251231.db2.gz JLJUVKVTDCPCHU-SNVBAGLBSA-N -1 3 260.293 1.864 20 30 CDEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000290974159 345430403 /nfs/dbraw/zinc/43/04/03/345430403.db2.gz QLWSVRLLXPOTEP-CYBMUJFWSA-N -1 3 282.340 1.937 20 30 CDEDHM C=CCN(C(=O)c1cc(F)cc2[n-]nnc21)[C@@H](C)COC ZINC000617582714 345868023 /nfs/dbraw/zinc/86/80/23/345868023.db2.gz SUJYNZQMXUHUPB-VIFPVBQESA-N -1 3 292.314 1.760 20 30 CDEDHM C=CCN(C(=O)c1cc(F)cc2nn[n-]c21)[C@@H](C)COC ZINC000617582714 345868025 /nfs/dbraw/zinc/86/80/25/345868025.db2.gz SUJYNZQMXUHUPB-VIFPVBQESA-N -1 3 292.314 1.760 20 30 CDEDHM C=CCN(C(=O)c1cc(F)cc2n[n-]nc21)[C@@H](C)COC ZINC000617582714 345868027 /nfs/dbraw/zinc/86/80/27/345868027.db2.gz SUJYNZQMXUHUPB-VIFPVBQESA-N -1 3 292.314 1.760 20 30 CDEDHM CCCOCC(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1 ZINC000610109851 346192100 /nfs/dbraw/zinc/19/21/00/346192100.db2.gz GJHUJIKEPMTKRV-UHFFFAOYSA-N -1 3 299.334 1.234 20 30 CDEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000611113626 346611451 /nfs/dbraw/zinc/61/14/51/346611451.db2.gz BNPXKOYJUDRLGW-LLVKDONJSA-N -1 3 295.339 1.914 20 30 CDEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1CC#N)C1CC1 ZINC000566228980 370652439 /nfs/dbraw/zinc/65/24/39/370652439.db2.gz DDMDAMFWDYZMIB-AWEZNQCLSA-N -1 3 294.376 1.919 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(C)COC1 ZINC000601797832 350009330 /nfs/dbraw/zinc/00/93/30/350009330.db2.gz QCMFHVWVCCFIMR-UHFFFAOYSA-N -1 3 289.335 1.113 20 30 CDEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000271268626 191038891 /nfs/dbraw/zinc/03/88/91/191038891.db2.gz NYNQHTCHDGFYBT-CABZTGNLSA-N -1 3 298.339 1.543 20 30 CDEDHM Cc1nc(SCCc2nnn[n-]2)c(Cl)cc1C#N ZINC000603398303 350274214 /nfs/dbraw/zinc/27/42/14/350274214.db2.gz SBWWGFJMVQDANJ-UHFFFAOYSA-N -1 3 280.744 1.763 20 30 CDEDHM Cc1nc(SCCc2nn[n-]n2)c(Cl)cc1C#N ZINC000603398303 350274215 /nfs/dbraw/zinc/27/42/15/350274215.db2.gz SBWWGFJMVQDANJ-UHFFFAOYSA-N -1 3 280.744 1.763 20 30 CDEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC000236410471 363152209 /nfs/dbraw/zinc/15/22/09/363152209.db2.gz FYHBJRMCXGOOFN-NSHDSACASA-N -1 3 295.364 1.191 20 30 CDEDHM C=C(C)CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000154389115 188139988 /nfs/dbraw/zinc/13/99/88/188139988.db2.gz UBQDKYXGSKXMJY-UHFFFAOYSA-N -1 3 251.282 1.715 20 30 CDEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000332111262 283057599 /nfs/dbraw/zinc/05/75/99/283057599.db2.gz BYNYJJQHCYFNQB-GXFFZTMASA-N -1 3 281.315 1.950 20 30 CDEDHM CCOC(=O)NCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000031277133 356762882 /nfs/dbraw/zinc/76/28/82/356762882.db2.gz JNPLRQRTPPHNCE-UHFFFAOYSA-N -1 3 295.221 1.548 20 30 CDEDHM CCOC(=O)NCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000031277133 356762885 /nfs/dbraw/zinc/76/28/85/356762885.db2.gz JNPLRQRTPPHNCE-UHFFFAOYSA-N -1 3 295.221 1.548 20 30 CDEDHM N#Cc1cc(F)c(C(=O)[N-]OC[C@H]2CCOC2)c(F)c1 ZINC000189256101 357990094 /nfs/dbraw/zinc/99/00/94/357990094.db2.gz YUVHXVRUXCFTFH-QMMMGPOBSA-N -1 3 282.246 1.534 20 30 CDEDHM Cc1ncc(C[N-]S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000048772214 359027041 /nfs/dbraw/zinc/02/70/41/359027041.db2.gz AJKDMFSIBZJJGR-UHFFFAOYSA-N -1 3 293.373 1.802 20 30 CDEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1conc1C ZINC000632300863 360010337 /nfs/dbraw/zinc/01/03/37/360010337.db2.gz DYLMSRIAPKLZFN-ZYHUDNBSSA-N -1 3 286.353 1.243 20 30 CDEDHM C=CCCn1cc(C(=O)[N-]c2nnc(CCC)s2)nn1 ZINC000424727516 360347192 /nfs/dbraw/zinc/34/71/92/360347192.db2.gz VUXDFECREBMIQA-UHFFFAOYSA-N -1 3 292.368 1.911 20 30 CDEDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C#N)cn3)[n-]2)o1 ZINC000160243577 360933241 /nfs/dbraw/zinc/93/32/41/360933241.db2.gz DLADPLDOWRSRDA-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C#N)cn3)n2)o1 ZINC000160243577 360933242 /nfs/dbraw/zinc/93/32/42/360933242.db2.gz DLADPLDOWRSRDA-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C#N)cn3)n[n-]2)o1 ZINC000160243577 360933246 /nfs/dbraw/zinc/93/32/46/360933246.db2.gz DLADPLDOWRSRDA-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM C=CCN(Cc1ccc(OC)cc1)C[C@@](C)(O)C(=O)[O-] ZINC000566358940 370693230 /nfs/dbraw/zinc/69/32/30/370693230.db2.gz PHJHVSBXDGAPAW-OAHLLOKOSA-N -1 3 279.336 1.519 20 30 CDEDHM CCC(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000275352432 193008275 /nfs/dbraw/zinc/00/82/75/193008275.db2.gz HAULIHWCRDQAFU-UHFFFAOYSA-N -1 3 286.740 1.469 20 30 CDEDHM N#Cc1cncc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1 ZINC000416593101 242065013 /nfs/dbraw/zinc/06/50/13/242065013.db2.gz NKMZSRYGFYNMIU-VXGBXAGGSA-N -1 3 283.328 1.512 20 30 CDEDHM Cn1ncc2c1ncc(C(=O)N1CCC(C)(C#N)CC1)c2[O-] ZINC000358415015 367668353 /nfs/dbraw/zinc/66/83/53/367668353.db2.gz YXPZZLDOXLQKIH-UHFFFAOYSA-N -1 3 299.334 1.440 20 30 CDEDHM COCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000130617102 367727930 /nfs/dbraw/zinc/72/79/30/367727930.db2.gz KQEHUSDGYVVRLJ-UHFFFAOYSA-N -1 3 274.729 1.136 20 30 CDEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000236408137 189833104 /nfs/dbraw/zinc/83/31/04/189833104.db2.gz YHBUTNAYUCSANX-UHFFFAOYSA-N -1 3 277.349 1.422 20 30 CDEDHM C=CCNC(=O)Cc1noc(-c2cccc(OC)c2[O-])n1 ZINC000350716489 372320008 /nfs/dbraw/zinc/32/00/08/372320008.db2.gz PFWDQPUBYSIVLO-UHFFFAOYSA-N -1 3 289.291 1.296 20 30 CDEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(N2CCC2=O)cc1 ZINC000416958428 375701705 /nfs/dbraw/zinc/70/17/05/375701705.db2.gz LRTWGQAPSRTUEL-GFCCVEGCSA-N -1 3 293.348 1.467 20 30 CDEDHM C=C(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000122642588 375793956 /nfs/dbraw/zinc/79/39/56/375793956.db2.gz JSOJGXGNBYHEMX-UHFFFAOYSA-N -1 3 286.309 1.458 20 30 CDEDHM O=S(=O)([N-]CC#CCO)c1ccc(C(F)(F)F)s1 ZINC000632515983 377555086 /nfs/dbraw/zinc/55/50/86/377555086.db2.gz OHVOLDRDEFOOPX-UHFFFAOYSA-N -1 3 299.295 1.041 20 30 CDEDHM C=C[C@](C)(CC)C(=O)Nc1nnc(SCCO)[n-]1 ZINC000135121460 378160111 /nfs/dbraw/zinc/16/01/11/378160111.db2.gz ZUCRYRFAKSGWIO-LLVKDONJSA-N -1 3 270.358 1.430 20 30 CDEDHM C=C[C@](C)(CC)C(=O)Nc1nc(SCCO)n[n-]1 ZINC000135121460 378160115 /nfs/dbraw/zinc/16/01/15/378160115.db2.gz ZUCRYRFAKSGWIO-LLVKDONJSA-N -1 3 270.358 1.430 20 30 CDEDHM C=C[C@](C)(CC)C(=O)Nc1n[n-]c(SCCO)n1 ZINC000135121460 378160120 /nfs/dbraw/zinc/16/01/20/378160120.db2.gz ZUCRYRFAKSGWIO-LLVKDONJSA-N -1 3 270.358 1.430 20 30 CDEDHM C=CCCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291266426 378438951 /nfs/dbraw/zinc/43/89/51/378438951.db2.gz ZERWPOQZYSISBP-SNVBAGLBSA-N -1 3 292.301 1.870 20 30 CDEDHM C=CCCCS(=O)(=O)[N-]CC(=O)OCCCC ZINC000293428119 378566031 /nfs/dbraw/zinc/56/60/31/378566031.db2.gz NWJNEXCTHJGDDU-UHFFFAOYSA-N -1 3 263.359 1.215 20 30 CDEDHM C=CCCCS(=O)(=O)[N-][C@@](C)(CC)C(=O)OC ZINC000293530679 378581910 /nfs/dbraw/zinc/58/19/10/378581910.db2.gz UCPIYERBPBKOFY-NSHDSACASA-N -1 3 263.359 1.214 20 30 CDEDHM N#CC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000040826991 378787867 /nfs/dbraw/zinc/78/78/67/378787867.db2.gz RSTAZPYGFSKIPV-UHFFFAOYSA-N -1 3 293.117 1.390 20 30 CDEDHM CC#CCCCC(=O)Nc1nnc(SCCO)[n-]1 ZINC000186438546 378849117 /nfs/dbraw/zinc/84/91/17/378849117.db2.gz LUKDJOVNPVOVHT-UHFFFAOYSA-N -1 3 268.342 1.021 20 30 CDEDHM CC#CCCCC(=O)Nc1nc(SCCO)n[n-]1 ZINC000186438546 378849125 /nfs/dbraw/zinc/84/91/25/378849125.db2.gz LUKDJOVNPVOVHT-UHFFFAOYSA-N -1 3 268.342 1.021 20 30 CDEDHM CC#CCCCC(=O)Nc1n[n-]c(SCCO)n1 ZINC000186438546 378849132 /nfs/dbraw/zinc/84/91/32/378849132.db2.gz LUKDJOVNPVOVHT-UHFFFAOYSA-N -1 3 268.342 1.021 20 30 CDEDHM C=CCOCC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000343827799 379003902 /nfs/dbraw/zinc/00/39/02/379003902.db2.gz LNSXAMDVFCQBAY-UHFFFAOYSA-N -1 3 293.273 1.918 20 30 CDEDHM CN(C)CCSCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000446571466 250299121 /nfs/dbraw/zinc/29/91/21/250299121.db2.gz DTHOHYGCPDTFJZ-UHFFFAOYSA-N -1 3 277.353 1.101 20 30 CDEDHM CCc1cc(C#N)c([N-]C(=O)c2cn(C)nn2)s1 ZINC000288315073 197049856 /nfs/dbraw/zinc/04/98/56/197049856.db2.gz KRPIGCSCZGCFCA-UHFFFAOYSA-N -1 3 261.310 1.563 20 30 CDEDHM CN(C)[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccco1 ZINC000188221948 390951909 /nfs/dbraw/zinc/95/19/09/390951909.db2.gz KVTKMCHDCTUFQJ-CYBMUJFWSA-N -1 3 299.330 1.890 20 30 CDEDHM C[C@H](C[C@@H]1CCCO1)NC(=O)CN1CC(=O)[N-]C1=O ZINC000329498042 390999272 /nfs/dbraw/zinc/99/92/72/390999272.db2.gz XRQBGNWLKAAYBW-BDAKNGLRSA-N -1 3 269.301 1.293 20 30 CDEDHM CCOC(=O)[C@@H](C)C/N=C/c1ccc(O)c([O-])c1O ZINC000267750909 391204541 /nfs/dbraw/zinc/20/45/41/391204541.db2.gz XTHRNICSJAHKEG-QZNXTOQNSA-N -1 3 267.281 1.422 20 30 CDEDHM N#CCCN(CC1CC1)C(=O)c1ccc(O)cc1[O-] ZINC000179480496 391207531 /nfs/dbraw/zinc/20/75/31/391207531.db2.gz OHZXRBRWOHVJHH-UHFFFAOYSA-N -1 3 260.293 1.864 20 30 CDEDHM CC#CCCNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000354123384 391407821 /nfs/dbraw/zinc/40/78/21/391407821.db2.gz WPPHPFYVLBJPJN-UHFFFAOYSA-N -1 3 298.339 1.340 20 30 CDEDHM C[C@]1(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)CCCO1 ZINC000328927473 391395135 /nfs/dbraw/zinc/39/51/35/391395135.db2.gz FUUNCEVPXIJTBM-WRWORJQWSA-N -1 3 255.274 1.155 20 30 CDEDHM C[C@]1(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)CCCS1 ZINC000328973549 391401511 /nfs/dbraw/zinc/40/15/11/391401511.db2.gz VRWHIMBCVSTOAV-WRWORJQWSA-N -1 3 271.342 1.871 20 30 CDEDHM CC1(C#N)CN(C(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000336085943 391849933 /nfs/dbraw/zinc/84/99/33/391849933.db2.gz OQJVZPSOMRODAV-UHFFFAOYSA-N -1 3 264.712 1.960 20 30 CDEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443011254 392514275 /nfs/dbraw/zinc/51/42/75/392514275.db2.gz FYZQCZDTGAAIPO-LLVKDONJSA-N -1 3 299.783 1.194 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCn2ccnc2)s1 ZINC000230334519 140210566 /nfs/dbraw/zinc/21/05/66/140210566.db2.gz DHGUUKVRUQBQNG-UHFFFAOYSA-N -1 3 296.377 1.185 20 30 CDEDHM N#Cc1cnccc1[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000352542933 155261076 /nfs/dbraw/zinc/26/10/76/155261076.db2.gz ADSMWJRGIJKXNH-UHFFFAOYSA-N -1 3 290.286 1.786 20 30 CDEDHM C=CCC[C@H](O)CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660749552 413437825 /nfs/dbraw/zinc/43/78/25/413437825.db2.gz YATGJYMHIAJYGY-NSHDSACASA-N -1 3 265.357 1.642 20 30 CDEDHM C=CCC1([N-]S(=O)(=O)c2ccn(C)n2)CCCC1 ZINC000657190511 414024543 /nfs/dbraw/zinc/02/45/43/414024543.db2.gz TVYAMAUTSQUWFF-UHFFFAOYSA-N -1 3 269.370 1.587 20 30 CDEDHM C=CCn1c(=O)[n-]nc1SCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000657252054 414082022 /nfs/dbraw/zinc/08/20/22/414082022.db2.gz QLXSELZHDFNGKQ-PHIMTYICSA-N -1 3 298.412 1.371 20 30 CDEDHM C=C(CC)CNC(=O)c1cscc1-c1nnn[n-]1 ZINC001588441928 1173062968 /nfs/dbraw/zinc/06/29/68/1173062968.db2.gz JECVZVOLVGXPQF-UHFFFAOYSA-N -1 3 263.326 1.624 20 30 CDEDHM C=C(CC)CNC(=O)c1cscc1-c1nn[n-]n1 ZINC001588441928 1173062973 /nfs/dbraw/zinc/06/29/73/1173062973.db2.gz JECVZVOLVGXPQF-UHFFFAOYSA-N -1 3 263.326 1.624 20 30 CDEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C#N)cc1C ZINC000040362967 174246773 /nfs/dbraw/zinc/24/67/73/174246773.db2.gz GRTDMLBUHUANQQ-SECBINFHSA-N -1 3 283.309 1.402 20 30 CDEDHM C=C[C@H](Sc1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC001588526282 1173075068 /nfs/dbraw/zinc/07/50/68/1173075068.db2.gz UUIQCARNXXECHR-QMMMGPOBSA-N -1 3 294.311 1.826 20 30 CDEDHM C=CCCONC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588617945 1173087808 /nfs/dbraw/zinc/08/78/08/1173087808.db2.gz JACMVZBVMBXKGN-UHFFFAOYSA-N -1 3 273.296 1.413 20 30 CDEDHM C=CCCONC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588617945 1173087814 /nfs/dbraw/zinc/08/78/14/1173087814.db2.gz JACMVZBVMBXKGN-UHFFFAOYSA-N -1 3 273.296 1.413 20 30 CDEDHM CC(=NN[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001588776169 1173105071 /nfs/dbraw/zinc/10/50/71/1173105071.db2.gz BCFPBEAGDXDGGT-MRVPVSSYSA-N -1 3 278.341 1.031 20 30 CDEDHM N#CC(=C([O-])c1cccc(-n2ccnn2)c1)c1ccncn1 ZINC000354475864 227008786 /nfs/dbraw/zinc/00/87/86/227008786.db2.gz RXDGTCSRRSSUMW-CYBMUJFWSA-N -1 3 290.286 1.547 20 30 CDEDHM CC(C)(C)SCCCn1cnc(C#N)c1-c1nnn[n-]1 ZINC001589208887 1173128167 /nfs/dbraw/zinc/12/81/67/1173128167.db2.gz HGJXKXVMXVQJHG-UHFFFAOYSA-N -1 3 291.384 1.857 20 30 CDEDHM COCCOc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354475100 262263616 /nfs/dbraw/zinc/26/36/16/262263616.db2.gz XXOXJDXSIITQDA-CYBMUJFWSA-N -1 3 297.314 1.992 20 30 CDEDHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C#N)C(C)C)cn1C ZINC000414456218 262940020 /nfs/dbraw/zinc/94/00/20/262940020.db2.gz QVUYARPWGFVJBL-SNVBAGLBSA-N -1 3 284.385 1.370 20 30 CDEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000290920102 263119163 /nfs/dbraw/zinc/11/91/63/263119163.db2.gz IBGSBKXZGJPMER-GFCCVEGCSA-N -1 3 286.303 1.935 20 30 CDEDHM CCCCCCCC(=O)Nc1[n-]nnc1C(N)=O ZINC000291505402 263123736 /nfs/dbraw/zinc/12/37/36/263123736.db2.gz WFROCLATZADCQV-UHFFFAOYSA-N -1 3 253.306 1.203 20 30 CDEDHM CCCCCCCC(=O)Nc1nn[n-]c1C(N)=O ZINC000291505402 263123737 /nfs/dbraw/zinc/12/37/37/263123737.db2.gz WFROCLATZADCQV-UHFFFAOYSA-N -1 3 253.306 1.203 20 30 CDEDHM CCCCCCCC(=O)Nc1n[n-]nc1C(N)=O ZINC000291505402 263123738 /nfs/dbraw/zinc/12/37/38/263123738.db2.gz WFROCLATZADCQV-UHFFFAOYSA-N -1 3 253.306 1.203 20 30 CDEDHM COCC(C)(C)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331194977 264158278 /nfs/dbraw/zinc/15/82/78/264158278.db2.gz YPJPXVLAWHHALP-UHFFFAOYSA-N -1 3 295.265 1.252 20 30 CDEDHM COCC(C)(C)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331194977 264158279 /nfs/dbraw/zinc/15/82/79/264158279.db2.gz YPJPXVLAWHHALP-UHFFFAOYSA-N -1 3 295.265 1.252 20 30 CDEDHM COCC(C)(C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331194977 264158281 /nfs/dbraw/zinc/15/82/81/264158281.db2.gz YPJPXVLAWHHALP-UHFFFAOYSA-N -1 3 295.265 1.252 20 30 CDEDHM CC(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(C)C2)cc1[O-] ZINC000331243849 264177813 /nfs/dbraw/zinc/17/78/13/264177813.db2.gz RVHLVPOQVXMTQQ-JTQLQIEISA-N -1 3 276.292 1.130 20 30 CDEDHM CC(=O)c1ccc(C(=O)N[C@H]2CCCN(C)C2=O)cc1[O-] ZINC000331356473 264208714 /nfs/dbraw/zinc/20/87/14/264208714.db2.gz RYZXYDBWVOVGHI-LBPRGKRZSA-N -1 3 290.319 1.520 20 30 CDEDHM Cn1[n-]c(=NC(=O)CC(C)(C)C#N)cc1OC(F)F ZINC000356479416 266121683 /nfs/dbraw/zinc/12/16/83/266121683.db2.gz YFCQTKNVQHMBFI-UHFFFAOYSA-N -1 3 272.255 1.322 20 30 CDEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCc1ccccc1 ZINC000357554914 266323615 /nfs/dbraw/zinc/32/36/15/266323615.db2.gz WDZFXHHGMJAHOV-AWEZNQCLSA-N -1 3 278.377 1.841 20 30 CDEDHM C[C@@H](C#N)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000357820772 266372892 /nfs/dbraw/zinc/37/28/92/266372892.db2.gz FLOJKXAYDPQLIV-QMMMGPOBSA-N -1 3 267.310 1.156 20 30 CDEDHM CC[C@H]1CCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590515173 1173446618 /nfs/dbraw/zinc/44/66/18/1173446618.db2.gz YFMHEZZTTGLJMV-JTQLQIEISA-N -1 3 268.324 1.975 20 30 CDEDHM CC[C@H]1CCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590515173 1173446624 /nfs/dbraw/zinc/44/66/24/1173446624.db2.gz YFMHEZZTTGLJMV-JTQLQIEISA-N -1 3 268.324 1.975 20 30 CDEDHM CCCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590634513 1173477034 /nfs/dbraw/zinc/47/70/34/1173477034.db2.gz HSCGSVXFXJHSQL-GFCCVEGCSA-N -1 3 284.323 1.075 20 30 CDEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC#N ZINC001590640276 1173482076 /nfs/dbraw/zinc/48/20/76/1173482076.db2.gz ODYMUZRSYNEUGF-UHFFFAOYSA-N -1 3 285.311 1.541 20 30 CDEDHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1F)[C@H](C)C#N ZINC001590674604 1173487460 /nfs/dbraw/zinc/48/74/60/1173487460.db2.gz MDYQQQHIWSTMNQ-MRVPVSSYSA-N -1 3 288.286 1.380 20 30 CDEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1F)[C@H](C)C#N ZINC001590674604 1173487468 /nfs/dbraw/zinc/48/74/68/1173487468.db2.gz MDYQQQHIWSTMNQ-MRVPVSSYSA-N -1 3 288.286 1.380 20 30 CDEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N(C)CCC#N)n1 ZINC001591939900 1173749474 /nfs/dbraw/zinc/74/94/74/1173749474.db2.gz MGUGLBZQMBYVDU-UHFFFAOYSA-N -1 3 257.301 1.228 20 30 CDEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N(C)CCC#N)n1 ZINC001591939900 1173749480 /nfs/dbraw/zinc/74/94/80/1173749480.db2.gz MGUGLBZQMBYVDU-UHFFFAOYSA-N -1 3 257.301 1.228 20 30 CDEDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C#N)CC2)c1C ZINC000160955898 328097536 /nfs/dbraw/zinc/09/75/36/328097536.db2.gz VGZTXGFOEODNRU-UHFFFAOYSA-N -1 3 295.320 1.546 20 30 CDEDHM C[C@H](C#N)S(=O)(=O)[N-][C@H](C)c1c(F)cccc1F ZINC000334888363 328561590 /nfs/dbraw/zinc/56/15/90/328561590.db2.gz CZOPXPCQIFPWPQ-HTQZYQBOSA-N -1 3 274.292 1.857 20 30 CDEDHM C=CCCOCCNC(=O)Cc1cncc([O-])c1 ZINC000574889751 327207726 /nfs/dbraw/zinc/20/77/26/327207726.db2.gz FAGCNJNKVLPJSQ-UHFFFAOYSA-N -1 3 250.298 1.039 20 30 CDEDHM C=CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000178488552 329199526 /nfs/dbraw/zinc/19/95/26/329199526.db2.gz GKZWSJWWOYXKGP-UHFFFAOYSA-N -1 3 289.740 1.591 20 30 CDEDHM C=C(C)CN1CCC(N=c2[n-]c(C(=O)OCC)co2)CC1 ZINC000418862006 329648295 /nfs/dbraw/zinc/64/82/95/329648295.db2.gz HFFOISNOFYGCFP-UHFFFAOYSA-N -1 3 293.367 1.726 20 30 CDEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(N)=O)c(F)c1 ZINC000120161759 330385971 /nfs/dbraw/zinc/38/59/71/330385971.db2.gz BEEJHLLLXPCBNT-UHFFFAOYSA-N -1 3 272.301 1.242 20 30 CDEDHM C=CCCCS(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F ZINC000489696318 332065323 /nfs/dbraw/zinc/06/53/23/332065323.db2.gz IMNRNISWYQZKPF-QMMMGPOBSA-N -1 3 275.292 1.185 20 30 CDEDHM C#C[C@@H](CCC)NC=C1c2ccccc2C(=O)[N-]C1=O ZINC000491712614 332303756 /nfs/dbraw/zinc/30/37/56/332303756.db2.gz XPVBDGAEGIILLD-IWQAVIMZSA-N -1 3 268.316 1.689 20 30 CDEDHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c1 ZINC000129324892 333755822 /nfs/dbraw/zinc/75/58/22/333755822.db2.gz SUCVCJUALDYGEB-SNVBAGLBSA-N -1 3 284.385 1.681 20 30 CDEDHM C=C(C)[C@@H](Cc1nc(-c2cc(=O)[n-]cn2)no1)OCC ZINC000351379259 335612083 /nfs/dbraw/zinc/61/20/83/335612083.db2.gz WRISPYZBUXUFCE-SNVBAGLBSA-N -1 3 276.296 1.756 20 30 CDEDHM COCC#CCSc1n[n-]c(-c2ccccn2)n1 ZINC000677132635 482468707 /nfs/dbraw/zinc/46/87/07/482468707.db2.gz KSTFATLDSOTBRC-UHFFFAOYSA-N -1 3 260.322 1.609 20 30 CDEDHM CCc1ccc(-c2noc(CCC(=O)N[O-])n2)cc1 ZINC000671995593 483639977 /nfs/dbraw/zinc/63/99/77/483639977.db2.gz HLLXNVMMXDUQAZ-UHFFFAOYSA-N -1 3 261.281 1.737 20 30 CDEDHM Cc1csc(C[N-]S(=O)(=O)CC2(CC#N)CC2)n1 ZINC000331628212 534818227 /nfs/dbraw/zinc/81/82/27/534818227.db2.gz HOIILGLSKXFFML-UHFFFAOYSA-N -1 3 285.394 1.565 20 30 CDEDHM CC#CCC[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000354077123 526338048 /nfs/dbraw/zinc/33/80/48/526338048.db2.gz XARIAFVEAHXIFZ-UHFFFAOYSA-N -1 3 273.304 1.965 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)cn1 ZINC000339121803 526683905 /nfs/dbraw/zinc/68/39/05/526683905.db2.gz YMRPGBUXNMHLBM-WDEREUQCSA-N -1 3 269.301 1.122 20 30 CDEDHM CCO[C@@H]1C[C@H](NC(=O)c2csc(=O)[n-]2)[C@H]1OC ZINC000329982447 527893449 /nfs/dbraw/zinc/89/34/49/527893449.db2.gz OXFBVNLEQRESBJ-NBEYISGCSA-N -1 3 272.326 1.346 20 30 CDEDHM CC(C)[C@H]1OCC[C@@H]1CNC(=O)CN1CC(=O)[N-]C1=O ZINC000330246064 527912320 /nfs/dbraw/zinc/91/23/20/527912320.db2.gz FAOJCUHOGXGSPB-BXKDBHETSA-N -1 3 283.328 1.396 20 30 CDEDHM N#CCCCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000737688486 574437180 /nfs/dbraw/zinc/43/71/80/574437180.db2.gz UNJSZUWZYVOJLD-UHFFFAOYSA-N -1 3 283.339 1.856 20 30 CDEDHM N#CCCCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000737688486 574437181 /nfs/dbraw/zinc/43/71/81/574437181.db2.gz UNJSZUWZYVOJLD-UHFFFAOYSA-N -1 3 283.339 1.856 20 30 CDEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCN3CCC[C@H]3C2)cc1 ZINC000739106144 574460869 /nfs/dbraw/zinc/46/08/69/574460869.db2.gz PZSZPHKCQQSKDV-LSDHHAIUSA-N -1 3 285.347 1.464 20 30 CDEDHM CC(=NNS(=O)(=O)C(C)C)c1ccc([O-])c(F)c1 ZINC000728429499 574633197 /nfs/dbraw/zinc/63/31/97/574633197.db2.gz HOYOYLPDEFNKDZ-UHFFFAOYSA-N -1 3 274.317 1.583 20 30 CDEDHM O=C1CCCCN1CCC/N=C/c1ccc(O)c([O-])c1O ZINC000730147727 574853759 /nfs/dbraw/zinc/85/37/59/574853759.db2.gz RNYNASRZIFCXGS-MHWRWJLKSA-N -1 3 292.335 1.625 20 30 CDEDHM COc1cccc([O-])c1/C=N\C[C@H](O)c1cnn(C)c1 ZINC000741465864 575049533 /nfs/dbraw/zinc/04/95/33/575049533.db2.gz YWBXUVMHWYKBCI-XKBFBRDOSA-N -1 3 275.308 1.287 20 30 CDEDHM [O-]c1c(O)ccc(/C=N\CCOC[C@H]2CCOC2)c1O ZINC000731563168 575054454 /nfs/dbraw/zinc/05/44/54/575054454.db2.gz MNFIOPIXGXGMPW-VNCYPQDWSA-N -1 3 281.308 1.275 20 30 CDEDHM CN1CCC(C#N)(NC(=O)c2cc([O-])cs2)CC1 ZINC000732270428 575085373 /nfs/dbraw/zinc/08/53/73/575085373.db2.gz CFZFGNUZVLDAID-UHFFFAOYSA-N -1 3 265.338 1.171 20 30 CDEDHM COc1ccc(OC(F)F)c(C=NN2CC(=O)[N-]C2=O)c1 ZINC000732923562 575098970 /nfs/dbraw/zinc/09/89/70/575098970.db2.gz FAJVUKBPBGRDNU-UHFFFAOYSA-N -1 3 299.233 1.182 20 30 CDEDHM CC(C)(CNN=Cc1ccccc1[O-])S(C)(=O)=O ZINC000774481553 575208035 /nfs/dbraw/zinc/20/80/35/575208035.db2.gz CLTBWUCARGWBDB-UHFFFAOYSA-N -1 3 270.354 1.139 20 30 CDEDHM Cc1ncc(CO)c(/C=N\CCc2cnccn2)c1[O-] ZINC000774542108 575213667 /nfs/dbraw/zinc/21/36/67/575213667.db2.gz OMBLZYJFHIPDRG-NVNXTCNLSA-N -1 3 272.308 1.040 20 30 CDEDHM N#Cc1ccc(C(=O)O[C@@H]2CCO[C@]3(CCOC3)C2)[n-]1 ZINC000774941949 575253766 /nfs/dbraw/zinc/25/37/66/575253766.db2.gz ZTHVRVSEHLXJHI-BXUZGUMPSA-N -1 3 276.292 1.381 20 30 CDEDHM O=C(N[O-])[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770159947 575426917 /nfs/dbraw/zinc/42/69/17/575426917.db2.gz LWSILNMOXKBHHN-LLVKDONJSA-N -1 3 264.281 1.151 20 30 CDEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000770378430 575443136 /nfs/dbraw/zinc/44/31/36/575443136.db2.gz CCVJKKGPWWAJJG-NSHDSACASA-N -1 3 296.348 1.902 20 30 CDEDHM C#CCCCOC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735376100 575461793 /nfs/dbraw/zinc/46/17/93/575461793.db2.gz XPHZORCPQHEJSA-UHFFFAOYSA-N -1 3 270.292 1.366 20 30 CDEDHM C#CCCCOC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735376100 575461797 /nfs/dbraw/zinc/46/17/97/575461797.db2.gz XPHZORCPQHEJSA-UHFFFAOYSA-N -1 3 270.292 1.366 20 30 CDEDHM C=C1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402314 575464652 /nfs/dbraw/zinc/46/46/52/575464652.db2.gz QJDLSDMHRXJKFP-UHFFFAOYSA-N -1 3 269.308 1.659 20 30 CDEDHM C=C1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735402314 575464655 /nfs/dbraw/zinc/46/46/55/575464655.db2.gz QJDLSDMHRXJKFP-UHFFFAOYSA-N -1 3 269.308 1.659 20 30 CDEDHM C=C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735402783 575465945 /nfs/dbraw/zinc/46/59/45/575465945.db2.gz KIDJSYAVIXPNJK-UHFFFAOYSA-N -1 3 287.283 1.326 20 30 CDEDHM C=C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735402783 575465947 /nfs/dbraw/zinc/46/59/47/575465947.db2.gz KIDJSYAVIXPNJK-UHFFFAOYSA-N -1 3 287.283 1.326 20 30 CDEDHM C=CCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000735409652 575466524 /nfs/dbraw/zinc/46/65/24/575466524.db2.gz HUYWHZZZICFQLR-UHFFFAOYSA-N -1 3 275.287 1.935 20 30 CDEDHM C=CCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000735409652 575466526 /nfs/dbraw/zinc/46/65/26/575466526.db2.gz HUYWHZZZICFQLR-UHFFFAOYSA-N -1 3 275.287 1.935 20 30 CDEDHM C=CCN1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735429869 575467450 /nfs/dbraw/zinc/46/74/50/575467450.db2.gz XILZMBTZLILTJR-UHFFFAOYSA-N -1 3 285.351 1.896 20 30 CDEDHM CC(N=Nc1cccnn1)c1cccc(-c2nnn[n-]2)c1 ZINC000735451247 575471981 /nfs/dbraw/zinc/47/19/81/575471981.db2.gz VQLAXGQNYOWERQ-UHFFFAOYSA-N -1 3 280.295 1.493 20 30 CDEDHM CC(N=Nc1cccnn1)c1cccc(-c2nn[n-]n2)c1 ZINC000735451247 575471984 /nfs/dbraw/zinc/47/19/84/575471984.db2.gz VQLAXGQNYOWERQ-UHFFFAOYSA-N -1 3 280.295 1.493 20 30 CDEDHM C[C@H](C#N)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735505621 575474894 /nfs/dbraw/zinc/47/48/94/575474894.db2.gz UBQPYIMHNWMIBA-SNVBAGLBSA-N -1 3 296.334 1.517 20 30 CDEDHM CC(C)C[C@@H](C#N)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735757671 575507648 /nfs/dbraw/zinc/50/76/48/575507648.db2.gz VOJCSTCMBGKRMO-QMMMGPOBSA-N -1 3 290.352 1.596 20 30 CDEDHM CC(C)C[C@@H](C#N)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735757671 575507651 /nfs/dbraw/zinc/50/76/51/575507651.db2.gz VOJCSTCMBGKRMO-QMMMGPOBSA-N -1 3 290.352 1.596 20 30 CDEDHM CC(C)N(CCC#N)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735858791 575522206 /nfs/dbraw/zinc/52/22/06/575522206.db2.gz FKHSWIQBRDEYBQ-UHFFFAOYSA-N -1 3 298.350 1.560 20 30 CDEDHM CC(C)N(CCC#N)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735858791 575522207 /nfs/dbraw/zinc/52/22/07/575522207.db2.gz FKHSWIQBRDEYBQ-UHFFFAOYSA-N -1 3 298.350 1.560 20 30 CDEDHM C#CCN(C[C@@](C)(O)C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000736076488 575561985 /nfs/dbraw/zinc/56/19/85/575561985.db2.gz HNFFAPYDGMUGCC-GOEBONIOSA-N -1 3 273.332 1.445 20 30 CDEDHM C[C@H](Nc1nccnc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736138746 575575718 /nfs/dbraw/zinc/57/57/18/575575718.db2.gz RBKQZLAKJXVNOX-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@H](Nc1nccnc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736138746 575575721 /nfs/dbraw/zinc/57/57/21/575575721.db2.gz RBKQZLAKJXVNOX-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](C#N)C1 ZINC000736198399 575587471 /nfs/dbraw/zinc/58/74/71/575587471.db2.gz HPKSNRYRUYUOJD-ZWNOBZJWSA-N -1 3 284.323 1.152 20 30 CDEDHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](C#N)C1 ZINC000736198399 575587473 /nfs/dbraw/zinc/58/74/73/575587473.db2.gz HPKSNRYRUYUOJD-ZWNOBZJWSA-N -1 3 284.323 1.152 20 30 CDEDHM CCCOCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736489109 575675283 /nfs/dbraw/zinc/67/52/83/575675283.db2.gz UTPLWMIPMPXPOQ-UHFFFAOYSA-N -1 3 286.295 1.103 20 30 CDEDHM CCCOCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736489109 575675288 /nfs/dbraw/zinc/67/52/88/575675288.db2.gz UTPLWMIPMPXPOQ-UHFFFAOYSA-N -1 3 286.295 1.103 20 30 CDEDHM CCN(C(=O)[C@@H](C)C#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501595 575677928 /nfs/dbraw/zinc/67/79/28/575677928.db2.gz GCCKQWXDRWBVGR-WDEREUQCSA-N -1 3 298.350 1.936 20 30 CDEDHM C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H](C)C(=O)[O-] ZINC000736571598 575693338 /nfs/dbraw/zinc/69/33/38/575693338.db2.gz LFYHFYWZSVTTPA-WDEREUQCSA-N -1 3 289.335 1.538 20 30 CDEDHM N#CCOc1ccc(CC(=O)[N-]OC2CCOCC2)cc1 ZINC000772705743 575739527 /nfs/dbraw/zinc/73/95/27/575739527.db2.gz KPKPAASRROUPJI-UHFFFAOYSA-N -1 3 290.319 1.358 20 30 CDEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=C1CCSCC1 ZINC000772676934 575752228 /nfs/dbraw/zinc/75/22/28/575752228.db2.gz AJMHYFKKLCVIHP-LLVKDONJSA-N -1 3 289.360 1.765 20 30 CDEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=C1CCSCC1 ZINC000772676934 575752231 /nfs/dbraw/zinc/75/22/31/575752231.db2.gz AJMHYFKKLCVIHP-LLVKDONJSA-N -1 3 289.360 1.765 20 30 CDEDHM CS(=O)(=O)[N-]N=C1CCSc2ccccc21 ZINC000764701743 575935443 /nfs/dbraw/zinc/93/54/43/575935443.db2.gz QIWSUWQIYAHKTG-UHFFFAOYSA-N -1 3 256.352 1.436 20 30 CDEDHM CC(C#N)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000737558981 575991408 /nfs/dbraw/zinc/99/14/08/575991408.db2.gz FFUUZKWZFVQNPD-ZYHUDNBSSA-N -1 3 260.293 1.206 20 30 CDEDHM N#CCCN(Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CC1 ZINC000768450968 576285290 /nfs/dbraw/zinc/28/52/90/576285290.db2.gz KQYCULWMPQDRQY-HNNXBMFYSA-N -1 3 288.347 1.944 20 30 CDEDHM CS(=O)(=O)[N-]c1cccc(C(=O)OC2(C#N)CCC2)c1 ZINC000759425240 576388203 /nfs/dbraw/zinc/38/82/03/576388203.db2.gz KFGOZGRXVZISMW-UHFFFAOYSA-N -1 3 294.332 1.661 20 30 CDEDHM C[C@@H](C#N)COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000759460091 576391768 /nfs/dbraw/zinc/39/17/68/576391768.db2.gz RMITYJLHBYOYSM-VIFPVBQESA-N -1 3 282.321 1.375 20 30 CDEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cncnc2)cc1 ZINC000761092378 576547186 /nfs/dbraw/zinc/54/71/86/576547186.db2.gz GUTWHDQYWHFBHX-ZDUSSCGKSA-N -1 3 296.286 1.446 20 30 CDEDHM O=C(NO)c1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000746263809 576766886 /nfs/dbraw/zinc/76/68/86/576766886.db2.gz QRAHYFKGKBSAIN-UHFFFAOYSA-N -1 3 286.287 1.441 20 30 CDEDHM COC1(C/N=C/c2ccc(O)c([O-])c2O)CCOCC1 ZINC000746521106 576781359 /nfs/dbraw/zinc/78/13/59/576781359.db2.gz DVMNVNKBTWBDTO-OVCLIPMQSA-N -1 3 281.308 1.418 20 30 CDEDHM COc1cccc([O-])c1C=NNC(=S)N[C@@H](C)C1CC1 ZINC000751530508 577048077 /nfs/dbraw/zinc/04/80/77/577048077.db2.gz CFFOTRHZHYPVNL-VIFPVBQESA-N -1 3 293.392 1.997 20 30 CDEDHM [O-]c1cc(O)ccc1C=Nn1cc(Br)cn1 ZINC000752746859 577123447 /nfs/dbraw/zinc/12/34/47/577123447.db2.gz MACZIDDABXZIQT-UHFFFAOYSA-N -1 3 282.097 1.939 20 30 CDEDHM C#CCCCNc1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000819692963 599079643 /nfs/dbraw/zinc/07/96/43/599079643.db2.gz LJDXEKNWDPOBCT-UHFFFAOYSA-N -1 3 292.346 1.971 20 30 CDEDHM C#CCCCNc1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000819692963 599079646 /nfs/dbraw/zinc/07/96/46/599079646.db2.gz LJDXEKNWDPOBCT-UHFFFAOYSA-N -1 3 292.346 1.971 20 30 CDEDHM COc1ccc(C#N)cc1CN1CCC(C(=O)[O-])CC1 ZINC000131359514 597344657 /nfs/dbraw/zinc/34/46/57/597344657.db2.gz RTOSTXHKSJJTJJ-UHFFFAOYSA-N -1 3 274.320 1.863 20 30 CDEDHM CN(CCC#N)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000821597759 607302321 /nfs/dbraw/zinc/30/23/21/607302321.db2.gz GMVHJUQHTAUQFP-UHFFFAOYSA-N -1 3 279.307 1.765 20 30 CDEDHM CN(CCC#N)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000821597759 607302322 /nfs/dbraw/zinc/30/23/22/607302322.db2.gz GMVHJUQHTAUQFP-UHFFFAOYSA-N -1 3 279.307 1.765 20 30 CDEDHM N#Cc1ccc2ncc(CN3CCC[C@H](CC(=O)[O-])C3)n2c1 ZINC000821335929 598151459 /nfs/dbraw/zinc/15/14/59/598151459.db2.gz CTRBCGUYJZUJOB-GFCCVEGCSA-N -1 3 298.346 1.893 20 30 CDEDHM CC(C)c1[nH]ccc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848131591 678354356 /nfs/dbraw/zinc/35/43/56/678354356.db2.gz AJMXEDBUXDILGQ-JTQLQIEISA-N -1 3 265.313 1.248 20 30 CDEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000701298112 598752368 /nfs/dbraw/zinc/75/23/68/598752368.db2.gz MBESFYOTMMHXRL-VIFPVBQESA-N -1 3 270.296 1.241 20 30 CDEDHM C[C@@H](CC#N)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000701298112 598752369 /nfs/dbraw/zinc/75/23/69/598752369.db2.gz MBESFYOTMMHXRL-VIFPVBQESA-N -1 3 270.296 1.241 20 30 CDEDHM C#CCN(CC#CC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819698032 599581370 /nfs/dbraw/zinc/58/13/70/599581370.db2.gz QHFPFKWKFOQNCR-UHFFFAOYSA-N -1 3 265.320 1.325 20 30 CDEDHM C#CCN(CC#CC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819698032 599581373 /nfs/dbraw/zinc/58/13/73/599581373.db2.gz QHFPFKWKFOQNCR-UHFFFAOYSA-N -1 3 265.320 1.325 20 30 CDEDHM C#C[C@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819688951 599625077 /nfs/dbraw/zinc/62/50/77/599625077.db2.gz RHECRBBVTNJIGL-DDXVTDLHSA-N -1 3 268.276 1.445 20 30 CDEDHM C#C[C@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819688951 599625076 /nfs/dbraw/zinc/62/50/76/599625076.db2.gz RHECRBBVTNJIGL-DDXVTDLHSA-N -1 3 268.276 1.445 20 30 CDEDHM C#CC[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001602699743 1175363721 /nfs/dbraw/zinc/36/37/21/1175363721.db2.gz KCJQRYMVOGOAKE-JTQLQIEISA-N -1 3 288.380 1.871 20 30 CDEDHM C[C@@H](C#N)CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824035318 607823731 /nfs/dbraw/zinc/82/37/31/607823731.db2.gz WWZCMQPOUKVFLL-JTQLQIEISA-N -1 3 296.334 1.631 20 30 CDEDHM C[C@@H](C#N)CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824035318 607823732 /nfs/dbraw/zinc/82/37/32/607823732.db2.gz WWZCMQPOUKVFLL-JTQLQIEISA-N -1 3 296.334 1.631 20 30 CDEDHM CCC[C@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000821014255 606327477 /nfs/dbraw/zinc/32/74/77/606327477.db2.gz CPFNVVOQZFVITD-ZETCQYMHSA-N -1 3 289.368 1.996 20 30 CDEDHM CCC[C@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000821014255 606327479 /nfs/dbraw/zinc/32/74/79/606327479.db2.gz CPFNVVOQZFVITD-ZETCQYMHSA-N -1 3 289.368 1.996 20 30 CDEDHM C=CCCCC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000819733674 606335179 /nfs/dbraw/zinc/33/51/79/606335179.db2.gz ABIOSSWGGUFJJI-UHFFFAOYSA-N -1 3 258.285 1.557 20 30 CDEDHM C=CCCCC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000819733674 606335180 /nfs/dbraw/zinc/33/51/80/606335180.db2.gz ABIOSSWGGUFJJI-UHFFFAOYSA-N -1 3 258.285 1.557 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820842339 606613810 /nfs/dbraw/zinc/61/38/10/606613810.db2.gz MCIRBTLWNJYFQF-SSDOTTSWSA-N -1 3 263.282 1.387 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820842339 606613811 /nfs/dbraw/zinc/61/38/11/606613811.db2.gz MCIRBTLWNJYFQF-SSDOTTSWSA-N -1 3 263.282 1.387 20 30 CDEDHM C=C[C@H](C(=O)[O-])N(C)Cc1ccc([S@](C)=O)cc1 ZINC001602805106 1175407664 /nfs/dbraw/zinc/40/76/64/1175407664.db2.gz XAANDVLIUULBIH-XIKOKIGWSA-N -1 3 267.350 1.495 20 30 CDEDHM C=C[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000819729298 606846391 /nfs/dbraw/zinc/84/63/91/606846391.db2.gz GDTBPVKQSVLNNJ-VIFPVBQESA-N -1 3 293.352 1.028 20 30 CDEDHM C=C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000819729298 606846392 /nfs/dbraw/zinc/84/63/92/606846392.db2.gz GDTBPVKQSVLNNJ-VIFPVBQESA-N -1 3 293.352 1.028 20 30 CDEDHM N#CCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822810440 606901206 /nfs/dbraw/zinc/90/12/06/606901206.db2.gz IKNNXXNJRUJUBT-UHFFFAOYSA-N -1 3 297.196 1.566 20 30 CDEDHM N#CCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822810440 606901208 /nfs/dbraw/zinc/90/12/08/606901208.db2.gz IKNNXXNJRUJUBT-UHFFFAOYSA-N -1 3 297.196 1.566 20 30 CDEDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)cc2F)c(N)c1C#N ZINC000822500699 607158798 /nfs/dbraw/zinc/15/87/98/607158798.db2.gz CDUCLQLDJKEFAY-UHFFFAOYSA-N -1 3 298.285 1.013 20 30 CDEDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)cc2F)c(N)c1C#N ZINC000822500699 607158799 /nfs/dbraw/zinc/15/87/99/607158799.db2.gz CDUCLQLDJKEFAY-UHFFFAOYSA-N -1 3 298.285 1.013 20 30 CDEDHM CC(=NN[C@H](C)CC#N)c1ccc(-c2nnn[n-]2)s1 ZINC000823953711 608095068 /nfs/dbraw/zinc/09/50/68/608095068.db2.gz MTBXWKANNOXLCG-SSDOTTSWSA-N -1 3 275.341 1.544 20 30 CDEDHM C[C@@]1(C#N)CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824778454 608140536 /nfs/dbraw/zinc/14/05/36/608140536.db2.gz PHJWETKBGFXUGH-HNNXBMFYSA-N -1 3 296.334 1.633 20 30 CDEDHM C[C@@]1(C#N)CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824778454 608140537 /nfs/dbraw/zinc/14/05/37/608140537.db2.gz PHJWETKBGFXUGH-HNNXBMFYSA-N -1 3 296.334 1.633 20 30 CDEDHM C=CCCOC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001602841372 1175426772 /nfs/dbraw/zinc/42/67/72/1175426772.db2.gz WAKNFUZMXQKBKP-UHFFFAOYSA-N -1 3 287.323 1.666 20 30 CDEDHM C=CCCOC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001602841372 1175426776 /nfs/dbraw/zinc/42/67/76/1175426776.db2.gz WAKNFUZMXQKBKP-UHFFFAOYSA-N -1 3 287.323 1.666 20 30 CDEDHM COCC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826148618 608535920 /nfs/dbraw/zinc/53/59/20/608535920.db2.gz MOUITOCDKHLJSP-UHFFFAOYSA-N -1 3 281.707 1.349 20 30 CDEDHM COCC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826148618 608535921 /nfs/dbraw/zinc/53/59/21/608535921.db2.gz MOUITOCDKHLJSP-UHFFFAOYSA-N -1 3 281.707 1.349 20 30 CDEDHM CCc1nn(C)cc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825763520 608882147 /nfs/dbraw/zinc/88/21/47/608882147.db2.gz YKZIRYIBRUEHDL-UHFFFAOYSA-N -1 3 296.338 1.609 20 30 CDEDHM CC(=NN1CCOCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823942748 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ZINC000848130294 679467068 /nfs/dbraw/zinc/46/70/68/679467068.db2.gz ILOPASCUTGURHP-LLVKDONJSA-N -1 3 266.272 1.244 20 30 CDEDHM [O-]c1cccc(Br)c1C=NN1CCC[C@H]1CO ZINC000863120879 679477603 /nfs/dbraw/zinc/47/76/03/679477603.db2.gz USLMRZQWPKCYOS-VIFPVBQESA-N -1 3 299.168 1.945 20 30 CDEDHM CCn1nc(C)c(C/N=C\c2c([O-])c(C)ncc2CO)n1 ZINC000818991955 679481784 /nfs/dbraw/zinc/48/17/84/679481784.db2.gz LWILDSPKIJHASQ-UUASQNMZSA-N -1 3 289.339 1.127 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccnn1C1CCCC1 ZINC000848137032 679499431 /nfs/dbraw/zinc/49/94/31/679499431.db2.gz WYKKZQSYITZLDJ-LLVKDONJSA-N -1 3 292.339 1.108 20 30 CDEDHM O=C(Cc1c(F)cccc1F)N[C@H]1CCCN([O-])C1=O ZINC000848135339 679503132 /nfs/dbraw/zinc/50/31/32/679503132.db2.gz BXYQVFPHXWDKKJ-NSHDSACASA-N -1 3 284.262 1.004 20 30 CDEDHM COc1ccc(CCn2cnc(C#N)c2-c2nnn[n-]2)cc1 ZINC000826192191 679564330 /nfs/dbraw/zinc/56/43/30/679564330.db2.gz CWXVJYZCVUBGEP-UHFFFAOYSA-N -1 3 295.306 1.186 20 30 CDEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)Cc2cnn(C)c2)c1[O-] ZINC000840710380 679647647 /nfs/dbraw/zinc/64/76/47/679647647.db2.gz RVXWZXQKMFAPGF-QOZZSIDGSA-N -1 3 288.351 1.372 20 30 CDEDHM C=CCN(c1cc(C)c(-c2nnn[n-]2)cn1)C1CC1 ZINC001602862060 1175438205 /nfs/dbraw/zinc/43/82/05/1175438205.db2.gz AQVPLEDYIBXLCK-UHFFFAOYSA-N -1 3 256.313 1.725 20 30 CDEDHM C=CCN(c1cc(C)c(-c2nn[n-]n2)cn1)C1CC1 ZINC001602862060 1175438207 /nfs/dbraw/zinc/43/82/07/1175438207.db2.gz AQVPLEDYIBXLCK-UHFFFAOYSA-N -1 3 256.313 1.725 20 30 CDEDHM C=CCCC[C@H](N)C(=O)N[C@@](C)(CCC)C(=O)[O-] ZINC001602862370 1175438809 /nfs/dbraw/zinc/43/88/09/1175438809.db2.gz DFNSSAWIIVWQSR-GWCFXTLKSA-N -1 3 256.346 1.430 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001602888324 1175444864 /nfs/dbraw/zinc/44/48/64/1175444864.db2.gz NLSCQNBJAMOOSK-NEPJUHHUSA-N -1 3 275.287 1.761 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001602888324 1175444866 /nfs/dbraw/zinc/44/48/66/1175444866.db2.gz NLSCQNBJAMOOSK-NEPJUHHUSA-N -1 3 275.287 1.761 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccc(C)nc1C ZINC001605861070 1163694583 /nfs/dbraw/zinc/69/45/83/1163694583.db2.gz IHLDJAQOFDWQJX-UHFFFAOYSA-N -1 3 294.322 1.303 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccc(C)nc1C ZINC001605861070 1163694585 /nfs/dbraw/zinc/69/45/85/1163694585.db2.gz IHLDJAQOFDWQJX-UHFFFAOYSA-N -1 3 294.322 1.303 20 30 CDEDHM Fc1ccc(CON=C[C@@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC001606319658 1163857607 /nfs/dbraw/zinc/85/76/07/1163857607.db2.gz YLRYHEPAIXPJOL-NSHDSACASA-N -1 3 291.286 1.687 20 30 CDEDHM Fc1ccc(CON=C[C@@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC001606319658 1163857613 /nfs/dbraw/zinc/85/76/13/1163857613.db2.gz YLRYHEPAIXPJOL-NSHDSACASA-N -1 3 291.286 1.687 20 30 CDEDHM N#Cc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001606367952 1163878525 /nfs/dbraw/zinc/87/85/25/1163878525.db2.gz UGDPHDSBRYQZCZ-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM N#Cc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001606367952 1163878528 /nfs/dbraw/zinc/87/85/28/1163878528.db2.gz UGDPHDSBRYQZCZ-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM N#CCc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001608187919 1164444056 /nfs/dbraw/zinc/44/40/56/1164444056.db2.gz FCHNITDBXWSOEG-UHFFFAOYSA-N -1 3 283.331 1.943 20 30 CDEDHM C[C@@H](C#N)CN(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001609067473 1164755340 /nfs/dbraw/zinc/75/53/40/1164755340.db2.gz QIHVTRBLYHFLAO-JTQLQIEISA-N -1 3 299.338 1.168 20 30 CDEDHM C[C@@H](C#N)CN(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001609067473 1164755348 /nfs/dbraw/zinc/75/53/48/1164755348.db2.gz QIHVTRBLYHFLAO-JTQLQIEISA-N -1 3 299.338 1.168 20 30 CDEDHM C[C@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCOC1 ZINC001609142715 1164788857 /nfs/dbraw/zinc/78/88/57/1164788857.db2.gz JIIGGUNWGIOTFE-AWEZNQCLSA-N -1 3 298.306 1.103 20 30 CDEDHM C[C@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCOC1 ZINC001609142715 1164788866 /nfs/dbraw/zinc/78/88/66/1164788866.db2.gz JIIGGUNWGIOTFE-AWEZNQCLSA-N -1 3 298.306 1.103 20 30 CDEDHM Cc1c(C(=O)N2CC(C)(C#N)C2)cccc1-c1nnn[n-]1 ZINC001609380388 1164916726 /nfs/dbraw/zinc/91/67/26/1164916726.db2.gz XBSCKXAWEJFJHL-UHFFFAOYSA-N -1 3 282.307 1.161 20 30 CDEDHM Cc1c(C(=O)N2CC(C)(C#N)C2)cccc1-c1nn[n-]n1 ZINC001609380388 1164916733 /nfs/dbraw/zinc/91/67/33/1164916733.db2.gz XBSCKXAWEJFJHL-UHFFFAOYSA-N -1 3 282.307 1.161 20 30 CDEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001609376401 1164917841 /nfs/dbraw/zinc/91/78/41/1164917841.db2.gz SCLVBXRWNSPAQJ-AOOOYVTPSA-N -1 3 284.323 1.352 20 30 CDEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001609376401 1164917847 /nfs/dbraw/zinc/91/78/47/1164917847.db2.gz SCLVBXRWNSPAQJ-AOOOYVTPSA-N -1 3 284.323 1.352 20 30 CDEDHM Cc1ccnc(NCC(C)(C)CC#N)c1-c1nnn[n-]1 ZINC001609438719 1164949474 /nfs/dbraw/zinc/94/94/74/1164949474.db2.gz DNTRVCFLNJIDHX-UHFFFAOYSA-N -1 3 271.328 1.922 20 30 CDEDHM Cc1ccnc(NCC(C)(C)CC#N)c1-c1nn[n-]n1 ZINC001609438719 1164949480 /nfs/dbraw/zinc/94/94/80/1164949480.db2.gz DNTRVCFLNJIDHX-UHFFFAOYSA-N -1 3 271.328 1.922 20 30 CDEDHM N#CC1(NC(=O)c2cscc2-c2nnn[n-]2)CCCC1 ZINC001609495287 1164976814 /nfs/dbraw/zinc/97/68/14/1164976814.db2.gz ZUBUYZYOEBCROW-UHFFFAOYSA-N -1 3 288.336 1.494 20 30 CDEDHM N#CC1(NC(=O)c2cscc2-c2nn[n-]n2)CCCC1 ZINC001609495287 1164976816 /nfs/dbraw/zinc/97/68/16/1164976816.db2.gz ZUBUYZYOEBCROW-UHFFFAOYSA-N -1 3 288.336 1.494 20 30 CDEDHM N#Cc1c[nH]nc1NC(=O)c1cc(-n2ccnc2)ccc1[O-] ZINC001643360915 1167245032 /nfs/dbraw/zinc/24/50/32/1167245032.db2.gz OQBZWEBNNOPKJM-UHFFFAOYSA-N -1 3 294.274 1.425 20 30 CDEDHM C=CC(=O)OC[C@H](C)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225470746 1167381103 /nfs/dbraw/zinc/38/11/03/1167381103.db2.gz ZTVPPUYIJSSGRS-VIFPVBQESA-N -1 3 262.265 1.464 20 30 CDEDHM CCN1C[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1=O ZINC000073719273 1171991564 /nfs/dbraw/zinc/99/15/64/1171991564.db2.gz TYJMCAUZCXUBNT-YFKPBYRVSA-N -1 3 291.233 1.280 20 30 CDEDHM CCN1C[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1=O ZINC000073719273 1171991576 /nfs/dbraw/zinc/99/15/76/1171991576.db2.gz TYJMCAUZCXUBNT-YFKPBYRVSA-N -1 3 291.233 1.280 20 30 CDEDHM Cc1cc(NC(=O)[C@@H]2C[C@@H]2C#N)cc(-c2nnn[n-]2)c1 ZINC001580983951 1172577429 /nfs/dbraw/zinc/57/74/29/1172577429.db2.gz JLNTUVWOMKBRMG-MWLCHTKSSA-N -1 3 268.280 1.273 20 30 CDEDHM Cc1cc(NC(=O)[C@@H]2C[C@@H]2C#N)cc(-c2nn[n-]n2)c1 ZINC001580983951 1172577434 /nfs/dbraw/zinc/57/74/34/1172577434.db2.gz JLNTUVWOMKBRMG-MWLCHTKSSA-N -1 3 268.280 1.273 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588325901 1173025172 /nfs/dbraw/zinc/02/51/72/1173025172.db2.gz ZCHCNZKZRLYXQV-AWEZNQCLSA-N -1 3 284.323 1.102 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588325901 1173025179 /nfs/dbraw/zinc/02/51/79/1173025179.db2.gz ZCHCNZKZRLYXQV-AWEZNQCLSA-N -1 3 284.323 1.102 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001588325633 1173025653 /nfs/dbraw/zinc/02/56/53/1173025653.db2.gz QXYSPMRDOVGGKA-ZETCQYMHSA-N -1 3 290.714 1.009 20 30 CDEDHM C#CC[C@@H](CCOC)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588332156 1173033604 /nfs/dbraw/zinc/03/36/04/1173033604.db2.gz WFBSEJAXNLTCME-NSHDSACASA-N -1 3 286.339 1.410 20 30 CDEDHM C#CC[C@@H](CCOC)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588332156 1173033608 /nfs/dbraw/zinc/03/36/08/1173033608.db2.gz WFBSEJAXNLTCME-NSHDSACASA-N -1 3 286.339 1.410 20 30 CDEDHM C#CC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588331665 1173035110 /nfs/dbraw/zinc/03/51/10/1173035110.db2.gz RCCZSBKFGIPADI-SECBINFHSA-N -1 3 286.291 1.444 20 30 CDEDHM C#CC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588331665 1173035116 /nfs/dbraw/zinc/03/51/16/1173035116.db2.gz RCCZSBKFGIPADI-SECBINFHSA-N -1 3 286.291 1.444 20 30 CDEDHM C#CCCCC(=O)NOc1cccc(-c2nnn[n-]2)c1 ZINC001588341071 1173044363 /nfs/dbraw/zinc/04/43/63/1173044363.db2.gz UTUXSMSDNNLHPV-UHFFFAOYSA-N -1 3 271.280 1.080 20 30 CDEDHM C#CCCCC(=O)NOc1cccc(-c2nn[n-]n2)c1 ZINC001588341071 1173044369 /nfs/dbraw/zinc/04/43/69/1173044369.db2.gz UTUXSMSDNNLHPV-UHFFFAOYSA-N -1 3 271.280 1.080 20 30 CDEDHM C(#C[C@@H]1CCCCO1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588380175 1173052775 /nfs/dbraw/zinc/05/27/75/1173052775.db2.gz WCTLRXIXHXTFHZ-LBPRGKRZSA-N -1 3 284.323 1.246 20 30 CDEDHM C(#C[C@@H]1CCCCO1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588380175 1173052780 /nfs/dbraw/zinc/05/27/80/1173052780.db2.gz WCTLRXIXHXTFHZ-LBPRGKRZSA-N -1 3 284.323 1.246 20 30 CDEDHM C#CCOC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001588357787 1173054149 /nfs/dbraw/zinc/05/41/49/1173054149.db2.gz MVDOLEPXJZSAKV-UHFFFAOYSA-N -1 3 295.258 1.312 20 30 CDEDHM C#CCOC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588357787 1173054157 /nfs/dbraw/zinc/05/41/57/1173054157.db2.gz MVDOLEPXJZSAKV-UHFFFAOYSA-N -1 3 295.258 1.312 20 30 CDEDHM C#C[C@H]1CC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588364908 1173055052 /nfs/dbraw/zinc/05/50/52/1173055052.db2.gz LTXMNFOXZHBKET-YEORSEQZSA-N -1 3 295.346 1.789 20 30 CDEDHM C#C[C@H]1CC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588364908 1173055057 /nfs/dbraw/zinc/05/50/57/1173055057.db2.gz LTXMNFOXZHBKET-YEORSEQZSA-N -1 3 295.346 1.789 20 30 CDEDHM C=CCCC(C)(C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588577426 1173082417 /nfs/dbraw/zinc/08/24/17/1173082417.db2.gz HGZUNDZZYJAESH-UHFFFAOYSA-N -1 3 274.328 1.669 20 30 CDEDHM C=CCCC(C)(C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588577426 1173082423 /nfs/dbraw/zinc/08/24/23/1173082423.db2.gz HGZUNDZZYJAESH-UHFFFAOYSA-N -1 3 274.328 1.669 20 30 CDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C\C ZINC001588640160 1173093033 /nfs/dbraw/zinc/09/30/33/1173093033.db2.gz NFTOAGPDCYLSLY-UTCJRWHESA-N -1 3 283.335 1.957 20 30 CDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C\C ZINC001588640160 1173093039 /nfs/dbraw/zinc/09/30/39/1173093039.db2.gz NFTOAGPDCYLSLY-UTCJRWHESA-N -1 3 283.335 1.957 20 30 CDEDHM C=CCN1CC[C@@H](Oc2ccc(-c3nn[n-]n3)c(C)c2)C1=O ZINC001588657627 1173096578 /nfs/dbraw/zinc/09/65/78/1173096578.db2.gz RPXPDBICESMQKP-CYBMUJFWSA-N -1 3 299.334 1.341 20 30 CDEDHM C[C@@H](C#N)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588934421 1173115517 /nfs/dbraw/zinc/11/55/17/1173115517.db2.gz LWWBGJSFAAVQNE-VIFPVBQESA-N -1 3 259.269 1.174 20 30 CDEDHM C[C@@H](C#N)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588934421 1173115521 /nfs/dbraw/zinc/11/55/21/1173115521.db2.gz LWWBGJSFAAVQNE-VIFPVBQESA-N -1 3 259.269 1.174 20 30 CDEDHM C[C@@H](C#N)N(Cc1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC001588934197 1173115698 /nfs/dbraw/zinc/11/56/98/1173115698.db2.gz FYGRUTQGILREMQ-VIFPVBQESA-N -1 3 286.314 1.882 20 30 CDEDHM C[C@@H](C#N)N(Cc1ccc(F)cc1-c1nn[n-]n1)C1CC1 ZINC001588934197 1173115700 /nfs/dbraw/zinc/11/57/00/1173115700.db2.gz FYGRUTQGILREMQ-VIFPVBQESA-N -1 3 286.314 1.882 20 30 CDEDHM CCC(=NN1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358730 1173372335 /nfs/dbraw/zinc/37/23/35/1173372335.db2.gz FELYJPNZYGYUFI-UHFFFAOYSA-N -1 3 286.339 1.313 20 30 CDEDHM CCC(=NN1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358730 1173372340 /nfs/dbraw/zinc/37/23/40/1173372340.db2.gz FELYJPNZYGYUFI-UHFFFAOYSA-N -1 3 286.339 1.313 20 30 CDEDHM CCC(=NN(C)C[C@H](C)O)c1cccc(-c2nnn[n-]2)c1 ZINC001590359428 1173373212 /nfs/dbraw/zinc/37/32/12/1173373212.db2.gz ZEVQHCYMUGMELB-JTQLQIEISA-N -1 3 288.355 1.293 20 30 CDEDHM CCC(=NN(C)C[C@H](C)O)c1cccc(-c2nn[n-]n2)c1 ZINC001590359428 1173373217 /nfs/dbraw/zinc/37/32/17/1173373217.db2.gz ZEVQHCYMUGMELB-JTQLQIEISA-N -1 3 288.355 1.293 20 30 CDEDHM CCC(=NNCC(C)(C)O)c1cccc(-c2nnn[n-]2)c1 ZINC001590358650 1173374035 /nfs/dbraw/zinc/37/40/35/1173374035.db2.gz AUAJGISCQBNBAQ-UHFFFAOYSA-N -1 3 288.355 1.341 20 30 CDEDHM CCC(=NNCC(C)(C)O)c1cccc(-c2nn[n-]n2)c1 ZINC001590358650 1173374043 /nfs/dbraw/zinc/37/40/43/1173374043.db2.gz AUAJGISCQBNBAQ-UHFFFAOYSA-N -1 3 288.355 1.341 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590367899 1173377164 /nfs/dbraw/zinc/37/71/64/1173377164.db2.gz MVNOWSAZYFXMLL-SECBINFHSA-N -1 3 287.279 1.334 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590367899 1173377169 /nfs/dbraw/zinc/37/71/69/1173377169.db2.gz MVNOWSAZYFXMLL-SECBINFHSA-N -1 3 287.279 1.334 20 30 CDEDHM CC[C@@H](CC#N)NCc1cccc(-c2nnn[n-]2)n1 ZINC001590419113 1173401857 /nfs/dbraw/zinc/40/18/57/1173401857.db2.gz CRIQHIJJFWWKNY-VIFPVBQESA-N -1 3 257.301 1.044 20 30 CDEDHM Cc1ccnc(NCC#C[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC001592275324 1173844077 /nfs/dbraw/zinc/84/40/77/1173844077.db2.gz FFESCPWOIQJVNH-LBPRGKRZSA-N -1 3 298.350 1.555 20 30 CDEDHM Cc1ccnc(NCC#C[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC001592275324 1173844082 /nfs/dbraw/zinc/84/40/82/1173844082.db2.gz FFESCPWOIQJVNH-LBPRGKRZSA-N -1 3 298.350 1.555 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001592603012 1173926970 /nfs/dbraw/zinc/92/69/70/1173926970.db2.gz BDPRZAHYRVWINA-AATRIKPKSA-N -1 3 298.281 1.635 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001592603012 1173926977 /nfs/dbraw/zinc/92/69/77/1173926977.db2.gz BDPRZAHYRVWINA-AATRIKPKSA-N -1 3 298.281 1.635 20 30 CDEDHM N#CC1(CC(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)CC1 ZINC001592666097 1173959572 /nfs/dbraw/zinc/95/95/72/1173959572.db2.gz AEOXAORWUSXTJF-UHFFFAOYSA-N -1 3 294.318 1.403 20 30 CDEDHM N#CC1(CC(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)CC1 ZINC001592666097 1173959577 /nfs/dbraw/zinc/95/95/77/1173959577.db2.gz AEOXAORWUSXTJF-UHFFFAOYSA-N -1 3 294.318 1.403 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1COC2(CCC2)C1 ZINC001592698929 1173974812 /nfs/dbraw/zinc/97/48/12/1173974812.db2.gz MBUHBZCYHRQGPD-LLVKDONJSA-N -1 3 296.334 1.862 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1COC2(CCC2)C1 ZINC001592698929 1173974818 /nfs/dbraw/zinc/97/48/18/1173974818.db2.gz MBUHBZCYHRQGPD-LLVKDONJSA-N -1 3 296.334 1.862 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCCO1 ZINC001592699535 1173976340 /nfs/dbraw/zinc/97/63/40/1173976340.db2.gz DGPCPGSDIJFUST-JTQLQIEISA-N -1 3 270.296 1.329 20 30 CDEDHM N#Cc1cncnc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592704079 1173978166 /nfs/dbraw/zinc/97/81/66/1173978166.db2.gz RQUCHCGSVWPUPB-UHFFFAOYSA-N -1 3 290.290 1.049 20 30 CDEDHM N#Cc1cncnc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592704079 1173978171 /nfs/dbraw/zinc/97/81/71/1173978171.db2.gz RQUCHCGSVWPUPB-UHFFFAOYSA-N -1 3 290.290 1.049 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1cscc1-c1nnn[n-]1 ZINC001602690682 1175354999 /nfs/dbraw/zinc/35/49/99/1175354999.db2.gz YOYQYBZQWJAREQ-SSDOTTSWSA-N -1 3 261.310 1.070 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1cscc1-c1nn[n-]n1 ZINC001602690682 1175355007 /nfs/dbraw/zinc/35/50/07/1175355007.db2.gz YOYQYBZQWJAREQ-SSDOTTSWSA-N -1 3 261.310 1.070 20 30 CDEDHM C#CCC(C)(C)C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001602696428 1175360258 /nfs/dbraw/zinc/36/02/58/1175360258.db2.gz ILOXSUMSGLAACI-UHFFFAOYSA-N -1 3 295.346 1.758 20 30 CDEDHM C#CCC(C)(C)C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001602696428 1175360264 /nfs/dbraw/zinc/36/02/64/1175360264.db2.gz ILOXSUMSGLAACI-UHFFFAOYSA-N -1 3 295.346 1.758 20 30 CDEDHM C#CC[C@H]1CCN(c2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC001602703554 1175367800 /nfs/dbraw/zinc/36/78/00/1175367800.db2.gz VHMLWJUISWYDDU-NSHDSACASA-N -1 3 293.334 1.364 20 30 CDEDHM C#CC[C@H]1CCN(c2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC001602703554 1175367804 /nfs/dbraw/zinc/36/78/04/1175367804.db2.gz VHMLWJUISWYDDU-NSHDSACASA-N -1 3 293.334 1.364 20 30 CDEDHM C#CCN(CC#CC)C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001602720209 1175372917 /nfs/dbraw/zinc/37/29/17/1175372917.db2.gz RKLVAIYVYXIFRS-UHFFFAOYSA-N -1 3 293.330 1.274 20 30 CDEDHM C#CCN(CC#CC)C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001602720209 1175372928 /nfs/dbraw/zinc/37/29/28/1175372928.db2.gz RKLVAIYVYXIFRS-UHFFFAOYSA-N -1 3 293.330 1.274 20 30 CDEDHM C#CCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001602720088 1175374208 /nfs/dbraw/zinc/37/42/08/1175374208.db2.gz NHUVCRRCFPEGRJ-UONOGXRCSA-N -1 3 295.346 1.452 20 30 CDEDHM C#CCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001602720088 1175374212 /nfs/dbraw/zinc/37/42/12/1175374212.db2.gz NHUVCRRCFPEGRJ-UONOGXRCSA-N -1 3 295.346 1.452 20 30 CDEDHM C#CCOCCC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001602729251 1175376778 /nfs/dbraw/zinc/37/67/78/1175376778.db2.gz LWYSMVACBQLMAN-UHFFFAOYSA-N -1 3 291.336 1.215 20 30 CDEDHM C#CCOCCC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001602729251 1175376782 /nfs/dbraw/zinc/37/67/82/1175376782.db2.gz LWYSMVACBQLMAN-UHFFFAOYSA-N -1 3 291.336 1.215 20 30 CDEDHM C#CCOCCN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001602728388 1175376819 /nfs/dbraw/zinc/37/68/19/1175376819.db2.gz UAQGPLYWJZIAOU-UHFFFAOYSA-N -1 3 277.320 1.232 20 30 CDEDHM C#CCn1ccc(CN(CC)[C@@H](CCCC)C(=O)[O-])n1 ZINC001602738017 1175378840 /nfs/dbraw/zinc/37/88/40/1175378840.db2.gz FLGVJFLYNVWXOC-AWEZNQCLSA-N -1 3 277.368 1.982 20 30 CDEDHM C=CC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)n2C)C1 ZINC001602824179 1175417938 /nfs/dbraw/zinc/41/79/38/1175417938.db2.gz OGSDANIYIGXVQC-SNVBAGLBSA-N -1 3 286.339 1.243 20 30 CDEDHM C=CC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)n2C)C1 ZINC001602824179 1175417942 /nfs/dbraw/zinc/41/79/42/1175417942.db2.gz OGSDANIYIGXVQC-SNVBAGLBSA-N -1 3 286.339 1.243 20 30 CDEDHM CC#CCCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001602893956 1175445968 /nfs/dbraw/zinc/44/59/68/1175445968.db2.gz MFJJQBAONGQZDV-OAHLLOKOSA-N -1 3 297.362 1.653 20 30 CDEDHM CC#CCNC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602896247 1175446934 /nfs/dbraw/zinc/44/69/34/1175446934.db2.gz FVLVNBCNNCDEDL-NSHDSACASA-N -1 3 283.335 1.185 20 30 CDEDHM CC#CCNC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602896247 1175446936 /nfs/dbraw/zinc/44/69/36/1175446936.db2.gz FVLVNBCNNCDEDL-NSHDSACASA-N -1 3 283.335 1.185 20 30 CDEDHM CC(C)CON=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001603302790 1175533423 /nfs/dbraw/zinc/53/34/23/1175533423.db2.gz HJCXCGZYCBOSMR-UHFFFAOYSA-N -1 3 286.339 1.975 20 30 CDEDHM CC(C)CON=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001603302790 1175533424 /nfs/dbraw/zinc/53/34/24/1175533424.db2.gz HJCXCGZYCBOSMR-UHFFFAOYSA-N -1 3 286.339 1.975 20 30 CDEDHM C[C@H](CC#N)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001603442974 1175553418 /nfs/dbraw/zinc/55/34/18/1175553418.db2.gz NZZPCHKTKPMCCL-SSDOTTSWSA-N -1 3 289.274 1.429 20 30 CDEDHM C[C@H](CC#N)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001603442974 1175553423 /nfs/dbraw/zinc/55/34/23/1175553423.db2.gz NZZPCHKTKPMCCL-SSDOTTSWSA-N -1 3 289.274 1.429 20 30 CDEDHM N#CCCCN1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001608181270 1164440371 /nfs/dbraw/zinc/44/03/71/1164440371.db2.gz GIJFUVVIRSGBIL-UHFFFAOYSA-N -1 3 266.341 1.372 20 30 CDEDHM CC(C)c1scnc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000879597482 1166383949 /nfs/dbraw/zinc/38/39/49/1166383949.db2.gz IXZWOSMVYHHWIT-MRVPVSSYSA-N -1 3 298.368 1.768 20 30 CDEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(C#N)ccc1F ZINC001412630060 1166739409 /nfs/dbraw/zinc/73/94/09/1166739409.db2.gz MDPGVSONACSVHH-UHFFFAOYSA-N -1 3 288.238 1.459 20 30 CDEDHM Cc1nc(C#N)cnc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428663 913610215 /nfs/dbraw/zinc/61/02/15/913610215.db2.gz OCYSTNHLWBGQIV-UHFFFAOYSA-N -1 3 278.279 1.580 20 30 CDEDHM N#Cc1ccccc1Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001210737858 895403569 /nfs/dbraw/zinc/40/35/69/895403569.db2.gz URYWBOISSKSEAR-UHFFFAOYSA-N -1 3 257.209 1.901 20 30 CDEDHM C#CCN1CC[C@]2(CCN(C(=O)c3ccccc3[O-])C2)C1=O ZINC001269682555 904040764 /nfs/dbraw/zinc/04/07/64/904040764.db2.gz INKUEFNVHACJEC-QGZVFWFLSA-N -1 3 298.342 1.090 20 30 CDEDHM N#Cc1cccc(CCC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001182341745 917794869 /nfs/dbraw/zinc/79/48/69/917794869.db2.gz WCKNCTCWDXXZAS-CQSZACIVSA-N -1 3 298.346 1.119 20 30 CDEDHM CCCC#CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001184270075 919007217 /nfs/dbraw/zinc/00/72/17/919007217.db2.gz CHIIORRNOFWKPS-UHFFFAOYSA-N -1 3 255.281 1.609 20 30 CDEDHM CCCC#CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001184270075 919007233 /nfs/dbraw/zinc/00/72/33/919007233.db2.gz CHIIORRNOFWKPS-UHFFFAOYSA-N -1 3 255.281 1.609 20 30 CDEDHM C#CC1(NC(=O)c2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001187015825 920292054 /nfs/dbraw/zinc/29/20/54/920292054.db2.gz FGZAEKQREJCBLZ-UHFFFAOYSA-N -1 3 295.346 1.933 20 30 CDEDHM C#CC1(NC(=O)c2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001187015825 920292069 /nfs/dbraw/zinc/29/20/69/920292069.db2.gz FGZAEKQREJCBLZ-UHFFFAOYSA-N -1 3 295.346 1.933 20 30 CDEDHM Cc1oncc1S(=O)(=O)[N-]C1=CC(=O)CC(C)(C)C1 ZINC001187400396 920529955 /nfs/dbraw/zinc/52/99/55/920529955.db2.gz DXUXDVGPTUKMME-UHFFFAOYSA-N -1 3 284.337 1.534 20 30 CDEDHM N#Cc1cc[nH]c1NC(=O)c1[n-]nnc1C(F)(F)F ZINC001187759320 920649456 /nfs/dbraw/zinc/64/94/56/920649456.db2.gz YBJLFFNNJUTJAM-UHFFFAOYSA-N -1 3 270.174 1.276 20 30 CDEDHM N#Cc1cc[nH]c1NC(=O)c1nn[n-]c1C(F)(F)F ZINC001187759320 920649462 /nfs/dbraw/zinc/64/94/62/920649462.db2.gz YBJLFFNNJUTJAM-UHFFFAOYSA-N -1 3 270.174 1.276 20 30 CDEDHM COc1cc([O-])c(C(=O)NCCCCC#N)c(OC)c1 ZINC001190144864 921848859 /nfs/dbraw/zinc/84/88/59/921848859.db2.gz GSGXOALEWLASMK-UHFFFAOYSA-N -1 3 278.308 1.833 20 30 CDEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190670569 922112870 /nfs/dbraw/zinc/11/28/70/922112870.db2.gz MDSGKUATKVOORB-VIFPVBQESA-N -1 3 267.285 1.278 20 30 CDEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2F)C[C@@H]1O ZINC001190671804 922125370 /nfs/dbraw/zinc/12/53/70/922125370.db2.gz XEPVVNDDLRXLNE-NEPJUHHUSA-N -1 3 298.339 1.135 20 30 CDEDHM N#C[C@@H]1CCCN(C(=O)c2ccc(=O)[n-]c2Cl)C1 ZINC001190910142 922311220 /nfs/dbraw/zinc/31/12/20/922311220.db2.gz MGPQYEWHIYHZBR-QMMMGPOBSA-N -1 3 265.700 1.816 20 30 CDEDHM Cc1ccnc(F)c1[N-]c1nc(C#N)c(C#N)nc1N ZINC001212554708 922800664 /nfs/dbraw/zinc/80/06/64/922800664.db2.gz JWOUKNMFXQYRMI-UHFFFAOYSA-N -1 3 269.243 1.388 20 30 CDEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1c[nH]c(=O)c2ccccc12 ZINC001193104427 923444403 /nfs/dbraw/zinc/44/44/03/923444403.db2.gz IJKFFQUFVIIVPQ-QMMMGPOBSA-N -1 3 277.305 1.594 20 30 CDEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc([C@H](C)C#N)cc1 ZINC001193146741 923492242 /nfs/dbraw/zinc/49/22/42/923492242.db2.gz SCOVHZXAASAELY-NXEZZACHSA-N -1 3 263.322 1.967 20 30 CDEDHM Cn1c(C(=O)N([O-])C(=N)c2ccccc2N)c[nH]c1=S ZINC001194255087 924135847 /nfs/dbraw/zinc/13/58/47/924135847.db2.gz SGLVEYCPWAHWOE-UHFFFAOYSA-N -1 3 291.336 1.148 20 30 CDEDHM CC(C)C[C@](C)(C#N)NS(=O)(=O)c1ccc([O-])cc1 ZINC001195836060 924751283 /nfs/dbraw/zinc/75/12/83/924751283.db2.gz UECGADHZIDNWCO-CYBMUJFWSA-N -1 3 282.365 1.999 20 30 CDEDHM C#CCN1CCC[C@@H](NC(=O)c2c(C)cccc2[O-])C1 ZINC000923594129 925111731 /nfs/dbraw/zinc/11/17/31/925111731.db2.gz GWANYYNRBAQLFS-CYBMUJFWSA-N -1 3 272.348 1.528 20 30 CDEDHM N#Cc1c(Cl)ccnc1NCCCc1c[n-][nH]c1=O ZINC001156276811 927883066 /nfs/dbraw/zinc/88/30/66/927883066.db2.gz ADRVPEIFRBXALC-QMMMGPOBSA-N -1 3 277.715 1.531 20 30 CDEDHM O=C(C=CNc1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC001169476035 928107000 /nfs/dbraw/zinc/10/70/00/928107000.db2.gz ODNUOJNXNNKDJZ-ONEGZZNKSA-N -1 3 284.201 1.319 20 30 CDEDHM C[C@H](CCCNc1ccc(C#N)nc1)NC(=O)c1cn[n-]n1 ZINC001115114698 937326493 /nfs/dbraw/zinc/32/64/93/937326493.db2.gz OMZSWIABHBLIAF-SNVBAGLBSA-N -1 3 299.338 1.082 20 30 CDEDHM Cc1nc(C#N)c(NC(=O)c2cccc3c2[N-]C(=O)C3=O)o1 ZINC001152448462 937363586 /nfs/dbraw/zinc/36/35/86/937363586.db2.gz KDRGCAJQLLXZFV-UHFFFAOYSA-N -1 3 296.242 1.242 20 30 CDEDHM C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001135357385 930168068 /nfs/dbraw/zinc/16/80/68/930168068.db2.gz BRTBGUDCWVSSLR-WDEREUQCSA-N -1 3 295.387 1.240 20 30 CDEDHM C[C@@H]1CS(=O)(=O)C[C@@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000887270066 931046828 /nfs/dbraw/zinc/04/68/28/931046828.db2.gz GWVPFGCQXBYAKH-NUOZQYKXSA-N -1 3 287.768 1.898 20 30 CDEDHM C=C[C@@H](CC)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823883718 931368472 /nfs/dbraw/zinc/36/84/72/931368472.db2.gz YWRAAYMORPUJIZ-NSHDSACASA-N -1 3 258.281 1.988 20 30 CDEDHM C=C[C@@H](CC)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823883718 931368478 /nfs/dbraw/zinc/36/84/78/931368478.db2.gz YWRAAYMORPUJIZ-NSHDSACASA-N -1 3 258.281 1.988 20 30 CDEDHM COc1ccc2c(c1)[n-]c(C(=O)N(C)[C@@H](C)C#N)cc2=O ZINC001154115136 937505513 /nfs/dbraw/zinc/50/55/13/937505513.db2.gz MRWVUCPORRZUDQ-VIFPVBQESA-N -1 3 285.303 1.521 20 30 CDEDHM Cc1ncc(N[C@H](C)Cc2cccc(C#N)c2)c(=O)[n-]1 ZINC001171201066 931917273 /nfs/dbraw/zinc/91/72/73/931917273.db2.gz HJRVVYUVNPERGB-YGRLFVJLSA-N -1 3 268.320 1.477 20 30 CDEDHM Cc1ncc(N[C@H](C)Cc2cccc(C#N)c2)c(=O)[n-]1 ZINC001171201065 931917952 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ZINC001609020007 1164728395 /nfs/dbraw/zinc/72/83/95/1164728395.db2.gz OHWRYUYDEVEYAD-UHFFFAOYSA-N -1 3 270.292 1.884 20 30 CDEDHM C#CCCCC(=O)Oc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609020007 1164728401 /nfs/dbraw/zinc/72/84/01/1164728401.db2.gz OHWRYUYDEVEYAD-UHFFFAOYSA-N -1 3 270.292 1.884 20 30 CDEDHM C=CC[C@@H](C)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609052745 1164744555 /nfs/dbraw/zinc/74/45/55/1164744555.db2.gz OFUGPZNXSRHAEF-LLVKDONJSA-N -1 3 297.362 1.979 20 30 CDEDHM C=CC[C@@H](C)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609052745 1164744561 /nfs/dbraw/zinc/74/45/61/1164744561.db2.gz OFUGPZNXSRHAEF-LLVKDONJSA-N -1 3 297.362 1.979 20 30 CDEDHM C[C@@H](C#N)OC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001609068558 1164754400 /nfs/dbraw/zinc/75/44/00/1164754400.db2.gz SKMGWAUFFBTCNZ-QMMMGPOBSA-N -1 3 286.295 1.002 20 30 CDEDHM C[C@@H](C#N)OC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001609068558 1164754405 /nfs/dbraw/zinc/75/44/05/1164754405.db2.gz SKMGWAUFFBTCNZ-QMMMGPOBSA-N -1 3 286.295 1.002 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC001609182383 1164824064 /nfs/dbraw/zinc/82/40/64/1164824064.db2.gz BFTOJMCGJJNSKK-AWEZNQCLSA-N -1 3 285.307 1.850 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC001609182383 1164824067 /nfs/dbraw/zinc/82/40/67/1164824067.db2.gz BFTOJMCGJJNSKK-AWEZNQCLSA-N -1 3 285.307 1.850 20 30 CDEDHM Cc1cc(C#N)nc(Oc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC001609393248 1164925362 /nfs/dbraw/zinc/92/53/62/1164925362.db2.gz ILWWKYWPFIGECE-UHFFFAOYSA-N -1 3 297.253 1.768 20 30 CDEDHM Cc1cc(C#N)nc(Oc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC001609393248 1164925366 /nfs/dbraw/zinc/92/53/66/1164925366.db2.gz ILWWKYWPFIGECE-UHFFFAOYSA-N -1 3 297.253 1.768 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1=CCCOC1 ZINC001609499970 1164979017 /nfs/dbraw/zinc/97/90/17/1164979017.db2.gz SDTVLYXZBGXBFM-UHFFFAOYSA-N -1 3 282.307 1.497 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1=CCCOC1 ZINC001609499970 1164979023 /nfs/dbraw/zinc/97/90/23/1164979023.db2.gz SDTVLYXZBGXBFM-UHFFFAOYSA-N -1 3 282.307 1.497 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001609500097 1164979051 /nfs/dbraw/zinc/97/90/51/1164979051.db2.gz ZMDUFKFOHXGVCK-IWIIMEHWSA-N -1 3 266.308 1.949 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001609500097 1164979055 /nfs/dbraw/zinc/97/90/55/1164979055.db2.gz ZMDUFKFOHXGVCK-IWIIMEHWSA-N -1 3 266.308 1.949 20 30 CDEDHM c1cnc(N=NC2CCc3ccc(-c4nnn[n-]4)cc32)cn1 ZINC001609619468 1165014303 /nfs/dbraw/zinc/01/43/03/1165014303.db2.gz PCOXRVDVQOHKFK-UHFFFAOYSA-N -1 3 292.306 1.419 20 30 CDEDHM c1cnc(N=NC2CCc3ccc(-c4nn[n-]n4)cc32)cn1 ZINC001609619468 1165014310 /nfs/dbraw/zinc/01/43/10/1165014310.db2.gz PCOXRVDVQOHKFK-UHFFFAOYSA-N -1 3 292.306 1.419 20 30 CDEDHM N#Cc1ccc(C(=O)N2CCc3c(=O)[n-]cnc3C2)s1 ZINC001645836023 1167529247 /nfs/dbraw/zinc/52/92/47/1167529247.db2.gz FNKZHTFUVJERIJ-UHFFFAOYSA-N -1 3 286.316 1.314 20 30 CDEDHM N#CCC1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001645915312 1167566722 /nfs/dbraw/zinc/56/67/22/1167566722.db2.gz LBTHXKBTRLGRFO-UHFFFAOYSA-N -1 3 286.335 1.825 20 30 CDEDHM C#C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001588328237 1173029846 /nfs/dbraw/zinc/02/98/46/1173029846.db2.gz BOSADLUFRXCEMS-CMPLNLGQSA-N -1 3 287.298 1.599 20 30 CDEDHM C#C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001588328237 1173029853 /nfs/dbraw/zinc/02/98/53/1173029853.db2.gz BOSADLUFRXCEMS-CMPLNLGQSA-N -1 3 287.298 1.599 20 30 CDEDHM C#CC[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2C)C1 ZINC001588337380 1173039853 /nfs/dbraw/zinc/03/98/53/1173039853.db2.gz OFWJSXFXTKKCDO-GFCCVEGCSA-N -1 3 295.346 1.661 20 30 CDEDHM C#CC[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2C)C1 ZINC001588337380 1173039858 /nfs/dbraw/zinc/03/98/58/1173039858.db2.gz OFWJSXFXTKKCDO-GFCCVEGCSA-N -1 3 295.346 1.661 20 30 CDEDHM C#CCCCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001588345721 1173043256 /nfs/dbraw/zinc/04/32/56/1173043256.db2.gz JLKDBJKPHXJCOV-UHFFFAOYSA-N -1 3 260.276 1.616 20 30 CDEDHM C#CCCCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001588345721 1173043267 /nfs/dbraw/zinc/04/32/67/1173043267.db2.gz JLKDBJKPHXJCOV-UHFFFAOYSA-N -1 3 260.276 1.616 20 30 CDEDHM C#CCNc1c(Br)cccc1-c1nn[n-]n1 ZINC001588357676 1173053299 /nfs/dbraw/zinc/05/32/99/1173053299.db2.gz MDFCGDRKJCFBGN-UHFFFAOYSA-N -1 3 278.113 1.674 20 30 CDEDHM C#CCN(CC)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001588350457 1173052033 /nfs/dbraw/zinc/05/20/33/1173052033.db2.gz XQDSDCSGBYRJOB-UHFFFAOYSA-N -1 3 290.352 1.093 20 30 CDEDHM C#CCNc1c(Br)cccc1-c1nnn[n-]1 ZINC001588357676 1173053293 /nfs/dbraw/zinc/05/32/93/1173053293.db2.gz MDFCGDRKJCFBGN-UHFFFAOYSA-N -1 3 278.113 1.674 20 30 CDEDHM C=CCN(C)[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588626918 1173091841 /nfs/dbraw/zinc/09/18/41/1173091841.db2.gz VTAHBLGPKCOEKS-GFCCVEGCSA-N -1 3 287.323 1.199 20 30 CDEDHM C=CCN(C)[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588626918 1173091850 /nfs/dbraw/zinc/09/18/50/1173091850.db2.gz VTAHBLGPKCOEKS-GFCCVEGCSA-N -1 3 287.323 1.199 20 30 CDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC ZINC001588639503 1173094722 /nfs/dbraw/zinc/09/47/22/1173094722.db2.gz BMVWESZUMUPGOD-UHFFFAOYSA-N -1 3 271.324 1.791 20 30 CDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC ZINC001588639503 1173094729 /nfs/dbraw/zinc/09/47/29/1173094729.db2.gz BMVWESZUMUPGOD-UHFFFAOYSA-N -1 3 271.324 1.791 20 30 CDEDHM C=CCO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588665633 1173096130 /nfs/dbraw/zinc/09/61/30/1173096130.db2.gz OEKCDSDWTNCFRS-CYBMUJFWSA-N -1 3 271.324 1.648 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1C ZINC001588727446 1173100235 /nfs/dbraw/zinc/10/02/35/1173100235.db2.gz BCVZRZFDMLKSKI-OLZOCXBDSA-N -1 3 271.324 1.931 20 30 CDEDHM C[C@H](C#N)C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588924533 1173112418 /nfs/dbraw/zinc/11/24/18/1173112418.db2.gz UNNHINZGXLIFFC-ZJUUUORDSA-N -1 3 284.323 1.546 20 30 CDEDHM CC(C)(C#N)CC(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001589034312 1173120254 /nfs/dbraw/zinc/12/02/54/1173120254.db2.gz WRSHPSADQJAEDT-UHFFFAOYSA-N -1 3 271.284 1.140 20 30 CDEDHM CC(C)(C#N)CC(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001589034312 1173120259 /nfs/dbraw/zinc/12/02/59/1173120259.db2.gz WRSHPSADQJAEDT-UHFFFAOYSA-N -1 3 271.284 1.140 20 30 CDEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCCC#N)n1 ZINC001589222849 1173129836 /nfs/dbraw/zinc/12/98/36/1173129836.db2.gz YVRIVLBSKTYQIG-UHFFFAOYSA-N -1 3 271.328 1.885 20 30 CDEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCCC#N)n1 ZINC001589222849 1173129843 /nfs/dbraw/zinc/12/98/43/1173129843.db2.gz YVRIVLBSKTYQIG-UHFFFAOYSA-N -1 3 271.328 1.885 20 30 CDEDHM CC(C)[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589519559 1173154020 /nfs/dbraw/zinc/15/40/20/1173154020.db2.gz ZMHZXVRCSNCPKE-ZDUSSCGKSA-N -1 3 298.350 1.600 20 30 CDEDHM CC(C)[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589519559 1173154022 /nfs/dbraw/zinc/15/40/22/1173154022.db2.gz ZMHZXVRCSNCPKE-ZDUSSCGKSA-N -1 3 298.350 1.600 20 30 CDEDHM C[C@@H](CC#N)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001589787745 1173181208 /nfs/dbraw/zinc/18/12/08/1173181208.db2.gz RGTPWZWOHPOYKJ-JTQLQIEISA-N -1 3 296.334 1.522 20 30 CDEDHM C[C@@H](CC#N)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001589787745 1173181211 /nfs/dbraw/zinc/18/12/11/1173181211.db2.gz RGTPWZWOHPOYKJ-JTQLQIEISA-N -1 3 296.334 1.522 20 30 CDEDHM C[C@H](CC#N)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589787428 1173182334 /nfs/dbraw/zinc/18/23/34/1173182334.db2.gz KWVXRFKJLVPHON-JIMOISOXSA-N -1 3 297.318 1.816 20 30 CDEDHM C[C@H](CC#N)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001589787428 1173182337 /nfs/dbraw/zinc/18/23/37/1173182337.db2.gz KWVXRFKJLVPHON-JIMOISOXSA-N -1 3 297.318 1.816 20 30 CDEDHM CC[C@H](CC#N)NCc1cc(-c2nnn[n-]2)ccn1 ZINC001590420428 1173402522 /nfs/dbraw/zinc/40/25/22/1173402522.db2.gz XYQBQXSOPKNTSW-SNVBAGLBSA-N -1 3 257.301 1.044 20 30 CDEDHM CC[C@H](CC#N)NCc1cc(-c2nn[n-]n2)ccn1 ZINC001590420428 1173402533 /nfs/dbraw/zinc/40/25/33/1173402533.db2.gz XYQBQXSOPKNTSW-SNVBAGLBSA-N -1 3 257.301 1.044 20 30 CDEDHM CCc1nnc(N2CC(C)(C#N)C2)c(-c2nnn[n-]2)c1CC ZINC001590930705 1173548009 /nfs/dbraw/zinc/54/80/09/1173548009.db2.gz LKWPHYOLUHPSPO-UHFFFAOYSA-N -1 3 298.354 1.131 20 30 CDEDHM CCc1nnc(N2CC(C)(C#N)C2)c(-c2nn[n-]n2)c1CC ZINC001590930705 1173548013 /nfs/dbraw/zinc/54/80/13/1173548013.db2.gz LKWPHYOLUHPSPO-UHFFFAOYSA-N -1 3 298.354 1.131 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N[C@H](C)CC#N ZINC001591840037 1173713757 /nfs/dbraw/zinc/71/37/57/1173713757.db2.gz POVDKSARRQZJNO-SNVBAGLBSA-N -1 3 284.323 1.516 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N[C@H](C)CC#N ZINC001591840037 1173713764 /nfs/dbraw/zinc/71/37/64/1173713764.db2.gz POVDKSARRQZJNO-SNVBAGLBSA-N -1 3 284.323 1.516 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N[C@@](C)(C#N)C(C)C ZINC001591877156 1173733533 /nfs/dbraw/zinc/73/35/33/1173733533.db2.gz FEQFFXCURDRHEQ-AWEZNQCLSA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N[C@@](C)(C#N)C(C)C ZINC001591877156 1173733540 /nfs/dbraw/zinc/73/35/40/1173733540.db2.gz FEQFFXCURDRHEQ-AWEZNQCLSA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1cc(C(=O)NO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC001591929683 1173747699 /nfs/dbraw/zinc/74/76/99/1173747699.db2.gz KKMYHUMDNIARSE-UHFFFAOYSA-N -1 3 298.306 1.393 20 30 CDEDHM Cc1cc(C(=O)O[C@@H](CC#N)C2CC2)ncc1-c1nnn[n-]1 ZINC001591936185 1173750488 /nfs/dbraw/zinc/75/04/88/1173750488.db2.gz KIBSFXJOQZPDDH-LBPRGKRZSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1cc(C(=O)O[C@@H](CC#N)C2CC2)ncc1-c1nn[n-]n1 ZINC001591936185 1173750490 /nfs/dbraw/zinc/75/04/90/1173750490.db2.gz KIBSFXJOQZPDDH-LBPRGKRZSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1nc(N2CC(CC#N)C2)c(Cl)cc1-c1nnn[n-]1 ZINC001592367011 1173869444 /nfs/dbraw/zinc/86/94/44/1173869444.db2.gz IYQSPNVALHGPRG-UHFFFAOYSA-N -1 3 289.730 1.573 20 30 CDEDHM Cc1nc(N2CC(CC#N)C2)c(Cl)cc1-c1nn[n-]n1 ZINC001592367011 1173869449 /nfs/dbraw/zinc/86/94/49/1173869449.db2.gz IYQSPNVALHGPRG-UHFFFAOYSA-N -1 3 289.730 1.573 20 30 CDEDHM Cc1nc(NC(=O)CCCC#N)ccc1-c1nnn[n-]1 ZINC001592377676 1173873024 /nfs/dbraw/zinc/87/30/24/1173873024.db2.gz ZRSLHRJSBHPOFP-UHFFFAOYSA-N -1 3 271.284 1.203 20 30 CDEDHM Cc1nc(NC(=O)CCCC#N)ccc1-c1nn[n-]n1 ZINC001592377676 1173873028 /nfs/dbraw/zinc/87/30/28/1173873028.db2.gz ZRSLHRJSBHPOFP-UHFFFAOYSA-N -1 3 271.284 1.203 20 30 CDEDHM Cc1nc(N[C@@H]2CC[C@H](C#N)C2)ccc1-c1nnn[n-]1 ZINC001592394230 1173882735 /nfs/dbraw/zinc/88/27/35/1173882735.db2.gz NIDVIPFBPBTHNP-VHSXEESVSA-N -1 3 269.312 1.674 20 30 CDEDHM Cc1nc(N[C@@H]2CC[C@H](C#N)C2)ccc1-c1nn[n-]n1 ZINC001592394230 1173882740 /nfs/dbraw/zinc/88/27/40/1173882740.db2.gz NIDVIPFBPBTHNP-VHSXEESVSA-N -1 3 269.312 1.674 20 30 CDEDHM FC(F)(F)CCNN=Cc1cc(-c2nnn[n-]2)cs1 ZINC001592615303 1173928896 /nfs/dbraw/zinc/92/88/96/1173928896.db2.gz IGCKBQITZABHRA-UHFFFAOYSA-N -1 3 290.274 1.804 20 30 CDEDHM FC(F)(F)CCNN=Cc1cc(-c2nn[n-]n2)cs1 ZINC001592615303 1173928900 /nfs/dbraw/zinc/92/89/00/1173928900.db2.gz IGCKBQITZABHRA-UHFFFAOYSA-N -1 3 290.274 1.804 20 30 CDEDHM N#CC1(C[C@@H](O)COc2ccccc2-c2nnn[n-]2)CCC1 ZINC001592668899 1173959976 /nfs/dbraw/zinc/95/99/76/1173959976.db2.gz RAECVJXUQXNLES-LLVKDONJSA-N -1 3 299.334 1.690 20 30 CDEDHM N#CC1(C[C@@H](O)COc2ccccc2-c2nn[n-]n2)CCC1 ZINC001592668899 1173959982 /nfs/dbraw/zinc/95/99/82/1173959982.db2.gz RAECVJXUQXNLES-LLVKDONJSA-N -1 3 299.334 1.690 20 30 CDEDHM N#CC1(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC001592671603 1173962367 /nfs/dbraw/zinc/96/23/67/1173962367.db2.gz RZVXYBBHUNPVNH-UHFFFAOYSA-N -1 3 286.270 1.182 20 30 CDEDHM N#CC1(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC001592671603 1173962370 /nfs/dbraw/zinc/96/23/70/1173962370.db2.gz RZVXYBBHUNPVNH-UHFFFAOYSA-N -1 3 286.270 1.182 20 30 CDEDHM N#C[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001592672601 1173963035 /nfs/dbraw/zinc/96/30/35/1173963035.db2.gz LDTDNBIWOUHSOO-NSHDSACASA-N -1 3 286.314 1.741 20 30 CDEDHM N#C[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001592672601 1173963041 /nfs/dbraw/zinc/96/30/41/1173963041.db2.gz LDTDNBIWOUHSOO-NSHDSACASA-N -1 3 286.314 1.741 20 30 CDEDHM N#CCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001592675043 1173965628 /nfs/dbraw/zinc/96/56/28/1173965628.db2.gz PFSXGVSTTBYFGJ-UHFFFAOYSA-N -1 3 257.253 1.466 20 30 CDEDHM N#CCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001592675043 1173965637 /nfs/dbraw/zinc/96/56/37/1173965637.db2.gz PFSXGVSTTBYFGJ-UHFFFAOYSA-N -1 3 257.253 1.466 20 30 CDEDHM N#Cc1ccc(Sc2cc(-c3nnn[n-]3)cnn2)c(F)c1 ZINC001592696994 1173976269 /nfs/dbraw/zinc/97/62/69/1173976269.db2.gz BCINYEGGNYLGGH-UHFFFAOYSA-N -1 3 299.294 1.819 20 30 CDEDHM N#Cc1ccc(Sc2cc(-c3nn[n-]n3)cnn2)c(F)c1 ZINC001592696994 1173976274 /nfs/dbraw/zinc/97/62/74/1173976274.db2.gz BCINYEGGNYLGGH-UHFFFAOYSA-N -1 3 299.294 1.819 20 30 CDEDHM O=C(C#CC1CC1)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592766534 1173989798 /nfs/dbraw/zinc/98/97/98/1173989798.db2.gz NFAKUCFSHHIOBF-UHFFFAOYSA-N -1 3 279.303 1.122 20 30 CDEDHM O=C(C#CC1CC1)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592766534 1173989813 /nfs/dbraw/zinc/98/98/13/1173989813.db2.gz NFAKUCFSHHIOBF-UHFFFAOYSA-N -1 3 279.303 1.122 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/nfs/dbraw/zinc/00/44/94/331004494.db2.gz WSAKEJSRSXUWMD-ZCFIWIBFSA-N -1 3 269.355 1.875 20 30 CDEDHM C=CCC[C@@H]([N-]S(=O)(=O)N(C)CCC)C(=O)OCC ZINC000451988499 331049521 /nfs/dbraw/zinc/04/95/21/331049521.db2.gz HFZUFEXGKNFOLI-LLVKDONJSA-N -1 3 292.401 1.061 20 30 CDEDHM C=CCCCC(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490956933 332132991 /nfs/dbraw/zinc/13/29/91/332132991.db2.gz UYBIMLRJDSSHDG-UHFFFAOYSA-N -1 3 259.256 1.738 20 30 CDEDHM C#CCN(CC#CC)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000491014600 332138894 /nfs/dbraw/zinc/13/88/94/332138894.db2.gz QXQSJENWFWCOEM-UHFFFAOYSA-N -1 3 287.315 1.508 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000491486766 332221153 /nfs/dbraw/zinc/22/11/53/332221153.db2.gz YCAAPJGFQFMRAY-SECBINFHSA-N -1 3 250.273 1.694 20 30 CDEDHM N#C[C@H]1CSCCN1C(=O)/C=C/c1cncc([O-])c1 ZINC000492446915 332397906 /nfs/dbraw/zinc/39/79/06/332397906.db2.gz UWMSDZXCYDPLLC-GXFZAYBSSA-N -1 3 275.333 1.268 20 30 CDEDHM Cn1cc([N-]S(=O)(=O)CCC(C)(C)C#N)cn1 ZINC000550110583 334213478 /nfs/dbraw/zinc/21/34/78/334213478.db2.gz NQCJCLOFOKOFKH-UHFFFAOYSA-N -1 3 256.331 1.102 20 30 CDEDHM C#CC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000141101735 334293598 /nfs/dbraw/zinc/29/35/98/334293598.db2.gz FSRCUGWWPXZNJW-UHFFFAOYSA-N -1 3 292.129 1.500 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000566837943 334666267 /nfs/dbraw/zinc/66/62/67/334666267.db2.gz OHGRIARZYGWLCF-NEPJUHHUSA-N -1 3 299.396 1.161 20 30 CDEDHM C=C[C@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000153860990 334681306 /nfs/dbraw/zinc/68/13/06/334681306.db2.gz GSDPOMXTZBIAPS-QMMMGPOBSA-N -1 3 251.282 1.714 20 30 CDEDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)CO2 ZINC000166058305 334904771 /nfs/dbraw/zinc/90/47/71/334904771.db2.gz GCZRKZUZGXCWHV-GFCCVEGCSA-N -1 3 292.360 1.652 20 30 CDEDHM O=C(N[O-])[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000671996515 482475421 /nfs/dbraw/zinc/47/54/21/482475421.db2.gz SJSISMIBCPRNQB-QWHCGFSZSA-N -1 3 273.292 1.455 20 30 CDEDHM COC(=O)[C@H](CC(F)F)/N=C/c1ccc(O)c([O-])c1O ZINC000761179144 576557755 /nfs/dbraw/zinc/55/77/55/576557755.db2.gz ANELUAXZSBCLQD-JGSFKELHSA-N -1 3 289.234 1.419 20 30 CDEDHM Cn1ncc2c1nc(N=NCc1ccc(C#N)cc1)[n-]c2=O ZINC000769819482 575389399 /nfs/dbraw/zinc/38/93/99/575389399.db2.gz SLVJXWDMLNBPBR-UHFFFAOYSA-N -1 3 293.290 1.387 20 30 CDEDHM O=C1CNC(=O)N1N=Cc1cc([O-])ccc1Br ZINC000770608604 575472664 /nfs/dbraw/zinc/47/26/64/575472664.db2.gz VAYLGCQWBXEYQP-UHFFFAOYSA-N -1 3 298.096 1.040 20 30 CDEDHM CC(C)(C#N)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735572162 575486892 /nfs/dbraw/zinc/48/68/92/575486892.db2.gz SIWGHSSCLAWVNT-UHFFFAOYSA-N -1 3 289.270 1.599 20 30 CDEDHM CC(C)(C#N)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735572162 575486894 /nfs/dbraw/zinc/48/68/94/575486894.db2.gz SIWGHSSCLAWVNT-UHFFFAOYSA-N -1 3 289.270 1.599 20 30 CDEDHM CCC(=N[N-]S(C)(=O)=O)c1cc(C)ccc1OC ZINC000771557270 575590112 /nfs/dbraw/zinc/59/01/12/575590112.db2.gz ALENDYMJNAKNLK-UHFFFAOYSA-N -1 3 270.354 1.667 20 30 CDEDHM CCn1cc(C=NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736722551 575728923 /nfs/dbraw/zinc/72/89/23/575728923.db2.gz PPGHERVXMMMSJY-UHFFFAOYSA-N -1 3 282.311 1.529 20 30 CDEDHM CCn1cc(C=NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736722551 575728925 /nfs/dbraw/zinc/72/89/25/575728925.db2.gz PPGHERVXMMMSJY-UHFFFAOYSA-N -1 3 282.311 1.529 20 30 CDEDHM CC[C@H](C(=O)[O-])N1CCN(c2ccccc2C#N)CC1 ZINC000736860149 575766014 /nfs/dbraw/zinc/76/60/14/575766014.db2.gz SXEKOUKCFSFGHJ-CYBMUJFWSA-N -1 3 273.336 1.543 20 30 CDEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1F)[C@H]1CCCO1 ZINC000773048293 575776459 /nfs/dbraw/zinc/77/64/59/575776459.db2.gz FZVMVACSTVRCII-CHWSQXEVSA-N -1 3 297.351 1.593 20 30 CDEDHM NS(=O)(=O)c1ccccc1NN=Cc1ccccc1[O-] ZINC000773119884 575784419 /nfs/dbraw/zinc/78/44/19/575784419.db2.gz AUMRCKZIASXFKB-UHFFFAOYSA-N -1 3 291.332 1.486 20 30 CDEDHM C#CCCCCC(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000773642506 575831630 /nfs/dbraw/zinc/83/16/30/575831630.db2.gz BJHNKBCTUPGVQV-UHFFFAOYSA-N -1 3 293.344 1.741 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1cnn(Cc2ccccc2)c1 ZINC000764704511 575936235 /nfs/dbraw/zinc/93/62/35/575936235.db2.gz NNGQBDGRSHIQFH-UHFFFAOYSA-N -1 3 292.364 1.205 20 30 CDEDHM CCCCO[C@@H]1CC(=N[N-]S(C)(=O)=O)C1(C)C ZINC000764708066 575937235 /nfs/dbraw/zinc/93/72/35/575937235.db2.gz ONWNIIAWMNDLRX-SNVBAGLBSA-N -1 3 262.375 1.507 20 30 CDEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCO[C@@H](C3CC3)C2)c1[O-] ZINC000764888548 575960446 /nfs/dbraw/zinc/96/04/46/575960446.db2.gz MKETZDCNYUVXAH-ZRWASNHZSA-N -1 3 290.363 1.964 20 30 CDEDHM C=CCCOC(=O)C[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000740207663 576441881 /nfs/dbraw/zinc/44/18/81/576441881.db2.gz XPMRLAHLAOJNID-PKNBQFBNSA-N -1 3 295.360 1.696 20 30 CDEDHM Cn1cc([C@@H](O)C/N=C/c2cc(Cl)ccc2[O-])cn1 ZINC000741463616 576560247 /nfs/dbraw/zinc/56/02/47/576560247.db2.gz HJZWPOXQOKEAMO-LAFZPEOGSA-N -1 3 279.727 1.932 20 30 CDEDHM CC(=O)[C@@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000742734144 576614828 /nfs/dbraw/zinc/61/48/28/576614828.db2.gz MSXQCHLSNMVACR-LLVKDONJSA-N -1 3 290.319 1.729 20 30 CDEDHM C=CCOc1cccc(C=NN2CC(=O)[N-]C2=O)c1 ZINC000744810723 576698915 /nfs/dbraw/zinc/69/89/15/576698915.db2.gz WVTZEORHXWRLLZ-UHFFFAOYSA-N -1 3 259.265 1.137 20 30 CDEDHM Cn1cc(C=NN2CC(=O)[N-]C2=O)c2ccccc21 ZINC000755610632 576951959 /nfs/dbraw/zinc/95/19/59/576951959.db2.gz GSSVQEZTFDUGPS-UHFFFAOYSA-N -1 3 256.265 1.064 20 30 CDEDHM Cc1ccc(N=NCc2cc([O-])ccc2[N+](=O)[O-])nn1 ZINC000751133115 577027464 /nfs/dbraw/zinc/02/74/64/577027464.db2.gz LXXZXYLIJSKDJT-UHFFFAOYSA-N -1 3 273.252 1.845 20 30 CDEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819773580 607252441 /nfs/dbraw/zinc/25/24/41/607252441.db2.gz VPMZCCGZWXFYNA-UHFFFAOYSA-N -1 3 258.329 1.988 20 30 CDEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819773580 607252442 /nfs/dbraw/zinc/25/24/42/607252442.db2.gz VPMZCCGZWXFYNA-UHFFFAOYSA-N -1 3 258.329 1.988 20 30 CDEDHM C[C@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1C(=O)[O-] ZINC000111255694 601539318 /nfs/dbraw/zinc/53/93/18/601539318.db2.gz CHSFUWKCEFTNTA-CABZTGNLSA-N -1 3 262.284 1.850 20 30 CDEDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000826055210 601655641 /nfs/dbraw/zinc/65/56/41/601655641.db2.gz WWCCZUZXIVUTNK-SMDDNHRTSA-N -1 3 289.335 1.068 20 30 CDEDHM CN=c1scc(C)n1N=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826052230 607633457 /nfs/dbraw/zinc/63/34/57/607633457.db2.gz QQXGDNAWGZHDIP-UHFFFAOYSA-N -1 3 299.363 1.451 20 30 CDEDHM CN=c1scc(C)n1N=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826052230 607633458 /nfs/dbraw/zinc/63/34/58/607633458.db2.gz QQXGDNAWGZHDIP-UHFFFAOYSA-N -1 3 299.363 1.451 20 30 CDEDHM C#CCN(C)C(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001602716516 1175370704 /nfs/dbraw/zinc/37/07/04/1175370704.db2.gz GETMWQSENGZTGT-UHFFFAOYSA-N -1 3 269.308 1.189 20 30 CDEDHM C#CCN(C)C(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001602716516 1175370709 /nfs/dbraw/zinc/37/07/09/1175370709.db2.gz GETMWQSENGZTGT-UHFFFAOYSA-N -1 3 269.308 1.189 20 30 CDEDHM C[C@]1(C(=O)[O-])CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000833554785 604678628 /nfs/dbraw/zinc/67/86/28/604678628.db2.gz KTMVNJXXVHMGSG-HNNXBMFYSA-N -1 3 284.319 1.503 20 30 CDEDHM C#CCCN1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000833362553 605192438 /nfs/dbraw/zinc/19/24/38/605192438.db2.gz YGAAMWPRJAOHMI-OAHLLOKOSA-N -1 3 272.348 1.453 20 30 CDEDHM c1cc(C2=NNC(=NC3CC3)SC2)ccc1-c1nnn[n-]1 ZINC000823742785 606019756 /nfs/dbraw/zinc/01/97/56/606019756.db2.gz LAPPVYOLJHGPQK-UHFFFAOYSA-N -1 3 299.363 1.426 20 30 CDEDHM c1cc(C2=NNC(=NC3CC3)SC2)ccc1-c1nn[n-]n1 ZINC000823742785 606019759 /nfs/dbraw/zinc/01/97/59/606019759.db2.gz LAPPVYOLJHGPQK-UHFFFAOYSA-N -1 3 299.363 1.426 20 30 CDEDHM Cc1ncoc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000822481666 606175598 /nfs/dbraw/zinc/17/55/98/606175598.db2.gz AVFCWVQKDLFWJJ-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM Cc1ncoc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000822481666 606175599 /nfs/dbraw/zinc/17/55/99/606175599.db2.gz AVFCWVQKDLFWJJ-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM Fc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)nc1 ZINC000822782770 606206445 /nfs/dbraw/zinc/20/64/45/606206445.db2.gz GDQPOKUQEMNFBH-UHFFFAOYSA-N -1 3 289.299 1.908 20 30 CDEDHM Fc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)nc1 ZINC000822782770 606206446 /nfs/dbraw/zinc/20/64/46/606206446.db2.gz GDQPOKUQEMNFBH-UHFFFAOYSA-N -1 3 289.299 1.908 20 30 CDEDHM C[C@@H](C#N)CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000819856378 606239943 /nfs/dbraw/zinc/23/99/43/606239943.db2.gz JQIGRWOLVJENAU-LURJTMIESA-N -1 3 297.244 1.852 20 30 CDEDHM C[C@@H](C#N)CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000819856378 606239945 /nfs/dbraw/zinc/23/99/45/606239945.db2.gz JQIGRWOLVJENAU-LURJTMIESA-N -1 3 297.244 1.852 20 30 CDEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2C2CC2)ccc1-c1nnn[n-]1 ZINC000822823430 606255595 /nfs/dbraw/zinc/25/55/95/606255595.db2.gz PWYNTHOUWBNDBH-OLZOCXBDSA-N -1 3 294.318 1.723 20 30 CDEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2C2CC2)ccc1-c1nn[n-]n1 ZINC000822823430 606255596 /nfs/dbraw/zinc/25/55/96/606255596.db2.gz PWYNTHOUWBNDBH-OLZOCXBDSA-N -1 3 294.318 1.723 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822801291 606299670 /nfs/dbraw/zinc/29/96/70/606299670.db2.gz GTVQDJAYJSOJJT-VXGBXAGGSA-N -1 3 282.307 1.289 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822801291 606299671 /nfs/dbraw/zinc/29/96/71/606299671.db2.gz GTVQDJAYJSOJJT-VXGBXAGGSA-N -1 3 282.307 1.289 20 30 CDEDHM C=C(Cl)CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819730218 606352222 /nfs/dbraw/zinc/35/22/22/606352222.db2.gz SRSSNJOFKLWGPL-UHFFFAOYSA-N -1 3 296.693 1.880 20 30 CDEDHM C=C(Cl)CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819730218 606352224 /nfs/dbraw/zinc/35/22/24/606352224.db2.gz SRSSNJOFKLWGPL-UHFFFAOYSA-N -1 3 296.693 1.880 20 30 CDEDHM COCCN(CCC#N)c1cccc(F)c1-c1nnn[n-]1 ZINC000821689114 606910719 /nfs/dbraw/zinc/91/07/19/606910719.db2.gz LALYOFOAKOCAMP-UHFFFAOYSA-N -1 3 290.302 1.372 20 30 CDEDHM COCCN(CCC#N)c1cccc(F)c1-c1nn[n-]n1 ZINC000821689114 606910720 /nfs/dbraw/zinc/91/07/20/606910720.db2.gz LALYOFOAKOCAMP-UHFFFAOYSA-N -1 3 290.302 1.372 20 30 CDEDHM C=CC[C@@H](CC)Nc1ccc(-c2nn[n-]n2)c(N)n1 ZINC001602811430 1175412811 /nfs/dbraw/zinc/41/28/11/1175412811.db2.gz MELQHMZVUJSLES-MRVPVSSYSA-N -1 3 259.317 1.611 20 30 CDEDHM C[C@H](C#N)CN(Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000824034324 607831489 /nfs/dbraw/zinc/83/14/89/607831489.db2.gz IKPIQEZVQZWUJW-LLVKDONJSA-N -1 3 282.351 1.991 20 30 CDEDHM N#Cc1cccc(N2CCc3ccc(-c4nnn[n-]4)cc32)n1 ZINC000826386989 607936034 /nfs/dbraw/zinc/93/60/34/607936034.db2.gz BCLOXXQGIGRJQP-UHFFFAOYSA-N -1 3 289.302 1.828 20 30 CDEDHM N#Cc1cccc(N2CCc3ccc(-c4nn[n-]n4)cc32)n1 ZINC000826386989 607936035 /nfs/dbraw/zinc/93/60/35/607936035.db2.gz BCLOXXQGIGRJQP-UHFFFAOYSA-N -1 3 289.302 1.828 20 30 CDEDHM CC#CCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823937103 608068574 /nfs/dbraw/zinc/06/85/74/608068574.db2.gz IDESAIKYODRZTL-AWEZNQCLSA-N -1 3 283.335 1.263 20 30 CDEDHM CC#CCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823937103 608068575 /nfs/dbraw/zinc/06/85/75/608068575.db2.gz 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OAXJCERYCOAWPT-CHWSQXEVSA-N -1 3 262.309 1.293 20 30 CDEDHM C[C@H](C#N)N(C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609068936 1164757467 /nfs/dbraw/zinc/75/74/67/1164757467.db2.gz YDSWKNAGBABMEQ-SNVBAGLBSA-N -1 3 296.334 1.269 20 30 CDEDHM C[C@H](C#N)N(C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609068936 1164757472 /nfs/dbraw/zinc/75/74/72/1164757472.db2.gz YDSWKNAGBABMEQ-SNVBAGLBSA-N -1 3 296.334 1.269 20 30 CDEDHM CC(C)(C#N)CNCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001609072861 1164757927 /nfs/dbraw/zinc/75/79/27/1164757927.db2.gz KLXJMJBJXLPCHF-UHFFFAOYSA-N -1 3 296.338 1.154 20 30 CDEDHM CC(C)(C#N)CNCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001609072861 1164757934 /nfs/dbraw/zinc/75/79/34/1164757934.db2.gz KLXJMJBJXLPCHF-UHFFFAOYSA-N -1 3 296.338 1.154 20 30 CDEDHM C[C@@H](CC#N)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609108351 1164772813 /nfs/dbraw/zinc/77/28/13/1164772813.db2.gz KSXVZLPPUMORHP-JTQLQIEISA-N -1 3 256.313 1.601 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001609182445 1164824188 /nfs/dbraw/zinc/82/41/88/1164824188.db2.gz FOFAHTTZWUJGQH-AWEZNQCLSA-N -1 3 295.306 1.617 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001609182445 1164824194 /nfs/dbraw/zinc/82/41/94/1164824194.db2.gz FOFAHTTZWUJGQH-AWEZNQCLSA-N -1 3 295.306 1.617 20 30 CDEDHM CC[C@@]1(C)CN(c2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001609196718 1164836694 /nfs/dbraw/zinc/83/66/94/1164836694.db2.gz ZNRQHSARCPMHJP-HNNXBMFYSA-N -1 3 298.350 1.744 20 30 CDEDHM CC[C@@]1(C)CN(c2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001609196718 1164836698 /nfs/dbraw/zinc/83/66/98/1164836698.db2.gz ZNRQHSARCPMHJP-HNNXBMFYSA-N -1 3 298.350 1.744 20 30 CDEDHM C=CCOCCN[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001609452660 1164955720 /nfs/dbraw/zinc/95/57/20/1164955720.db2.gz SPWWJLJHLQBUGP-GFCCVEGCSA-N -1 3 251.282 1.310 20 30 CDEDHM Cn1ccc(N=NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001609480241 1164966892 /nfs/dbraw/zinc/96/68/92/1164966892.db2.gz XAFGCTPAKACDJI-UHFFFAOYSA-N -1 3 268.284 1.046 20 30 CDEDHM O=C1Nc2cc(-c3nnn[n-]3)ccc2C1=NNC1CCCC1 ZINC001609590359 1164998689 /nfs/dbraw/zinc/99/86/89/1164998689.db2.gz RZEIFNDVSWPULF-UHFFFAOYSA-N -1 3 297.322 1.055 20 30 CDEDHM O=C1Nc2cc(-c3nn[n-]n3)ccc2C1=NNC1CCCC1 ZINC001609590359 1164998691 /nfs/dbraw/zinc/99/86/91/1164998691.db2.gz RZEIFNDVSWPULF-UHFFFAOYSA-N -1 3 297.322 1.055 20 30 CDEDHM Cc1cc(Sc2nccnc2C#N)ccc1-c1nnn[n-]1 ZINC001581044645 1172583727 /nfs/dbraw/zinc/58/37/27/1172583727.db2.gz JCVLZGRBUAGQMI-UHFFFAOYSA-N -1 3 295.331 1.988 20 30 CDEDHM Cc1cc(Sc2nccnc2C#N)ccc1-c1nn[n-]n1 ZINC001581044645 1172583729 /nfs/dbraw/zinc/58/37/29/1172583729.db2.gz JCVLZGRBUAGQMI-UHFFFAOYSA-N -1 3 295.331 1.988 20 30 CDEDHM C#C[C@H](C)Nc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001588326306 1173028023 /nfs/dbraw/zinc/02/80/23/1173028023.db2.gz JFVJDLICONBCRD-LURJTMIESA-N -1 3 262.704 1.657 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001588326208 1173027554 /nfs/dbraw/zinc/02/75/54/1173027554.db2.gz HACDHMBAKICZMG-MRVPVSSYSA-N -1 3 291.261 1.287 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001588326208 1173027562 /nfs/dbraw/zinc/02/75/62/1173027562.db2.gz HACDHMBAKICZMG-MRVPVSSYSA-N -1 3 291.261 1.287 20 30 CDEDHM C#C[C@H](C)Nc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001588326306 1173028018 /nfs/dbraw/zinc/02/80/18/1173028018.db2.gz JFVJDLICONBCRD-LURJTMIESA-N -1 3 262.704 1.657 20 30 CDEDHM C#CCC1(OC(=O)c2ncc(-c3nnn[n-]3)cc2C)CCC1 ZINC001588335253 1173039616 /nfs/dbraw/zinc/03/96/16/1173039616.db2.gz DZZZATKTPOMPCL-UHFFFAOYSA-N -1 3 297.318 1.673 20 30 CDEDHM C#CCC1(OC(=O)c2ncc(-c3nn[n-]n3)cc2C)CCC1 ZINC001588335253 1173039623 /nfs/dbraw/zinc/03/96/23/1173039623.db2.gz DZZZATKTPOMPCL-UHFFFAOYSA-N -1 3 297.318 1.673 20 30 CDEDHM C#CC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001588337671 1173044038 /nfs/dbraw/zinc/04/40/38/1173044038.db2.gz URWLWTAPTUSHJO-JTQLQIEISA-N -1 3 298.306 1.625 20 30 CDEDHM C#CC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001588337671 1173044048 /nfs/dbraw/zinc/04/40/48/1173044048.db2.gz URWLWTAPTUSHJO-JTQLQIEISA-N -1 3 298.306 1.625 20 30 CDEDHM C=C1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001588462397 1173065883 /nfs/dbraw/zinc/06/58/83/1173065883.db2.gz GJPODNPJXYXATC-UHFFFAOYSA-N -1 3 262.342 1.788 20 30 CDEDHM C=CC[C@@H](CO)CNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001588545932 1173080414 /nfs/dbraw/zinc/08/04/14/1173080414.db2.gz SANXRCFRRPROKM-MRVPVSSYSA-N -1 3 294.746 1.512 20 30 CDEDHM C=CC[C@@H](CO)CNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001588545932 1173080418 /nfs/dbraw/zinc/08/04/18/1173080418.db2.gz SANXRCFRRPROKM-MRVPVSSYSA-N -1 3 294.746 1.512 20 30 CDEDHM C=CCC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588579730 1173082046 /nfs/dbraw/zinc/08/20/46/1173082046.db2.gz RWHDTGKZECJUGD-JTQLQIEISA-N -1 3 274.328 1.309 20 30 CDEDHM C=CCC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588579730 1173082053 /nfs/dbraw/zinc/08/20/53/1173082053.db2.gz RWHDTGKZECJUGD-JTQLQIEISA-N -1 3 274.328 1.309 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588563901 1173082512 /nfs/dbraw/zinc/08/25/12/1173082512.db2.gz DUSLCXKCRNSMSI-CQSZACIVSA-N -1 3 297.362 1.976 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588563901 1173082517 /nfs/dbraw/zinc/08/25/17/1173082517.db2.gz DUSLCXKCRNSMSI-CQSZACIVSA-N -1 3 297.362 1.976 20 30 CDEDHM C=CC[C@@H]1CCCN(c2nnccc2-c2nnn[n-]2)C1 ZINC001588561271 1173083153 /nfs/dbraw/zinc/08/31/53/1173083153.db2.gz YQOHNJQHMYVVDE-SNVBAGLBSA-N -1 3 271.328 1.449 20 30 CDEDHM C=CC[C@@H]1CCCN(c2nnccc2-c2nn[n-]n2)C1 ZINC001588561271 1173083161 /nfs/dbraw/zinc/08/31/61/1173083161.db2.gz YQOHNJQHMYVVDE-SNVBAGLBSA-N -1 3 271.328 1.449 20 30 CDEDHM C=CCCCN(CC)c1ccc(-c2nn[n-]n2)c(N)n1 ZINC001588602038 1173086837 /nfs/dbraw/zinc/08/68/37/1173086837.db2.gz YUUSGMPDTOPDQO-UHFFFAOYSA-N -1 3 273.344 1.636 20 30 CDEDHM C=CCNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001588663946 1173095267 /nfs/dbraw/zinc/09/52/67/1173095267.db2.gz RDJVMCUTFBTXBK-UHFFFAOYSA-N -1 3 260.326 1.339 20 30 CDEDHM C=CCNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001588663946 1173095269 /nfs/dbraw/zinc/09/52/69/1173095269.db2.gz RDJVMCUTFBTXBK-UHFFFAOYSA-N -1 3 260.326 1.339 20 30 CDEDHM C=CCOCCOC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588689912 1173100127 /nfs/dbraw/zinc/10/01/27/1173100127.db2.gz VKNINQSHIMDUNH-UHFFFAOYSA-N -1 3 274.280 1.226 20 30 CDEDHM CC(=NNCC(C)(C)O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588776638 1173104396 /nfs/dbraw/zinc/10/43/96/1173104396.db2.gz ZCCWJLJVSDMFGC-UHFFFAOYSA-N -1 3 292.318 1.090 20 30 CDEDHM CC(=NNCC(C)(C)O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588776638 1173104402 /nfs/dbraw/zinc/10/44/02/1173104402.db2.gz ZCCWJLJVSDMFGC-UHFFFAOYSA-N -1 3 292.318 1.090 20 30 CDEDHM CC(=NN[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001588776166 1173105319 /nfs/dbraw/zinc/10/53/19/1173105319.db2.gz APKNQZNODRTHCM-SECBINFHSA-N -1 3 292.368 1.421 20 30 CDEDHM CC(=NNCC(C)C)c1ccccc1-c1nnn[n-]1 ZINC001588776578 1173105398 /nfs/dbraw/zinc/10/53/98/1173105398.db2.gz UOCPSWMZMCLHHX-UHFFFAOYSA-N -1 3 258.329 1.836 20 30 CDEDHM CC(=NNCC(C)C)c1ccccc1-c1nn[n-]n1 ZINC001588776578 1173105401 /nfs/dbraw/zinc/10/54/01/1173105401.db2.gz UOCPSWMZMCLHHX-UHFFFAOYSA-N -1 3 258.329 1.836 20 30 CDEDHM CC(=NO[C@@H]1CCCCO1)c1cc(-c2nnn[n-]2)ccn1 ZINC001588782417 1173105772 /nfs/dbraw/zinc/10/57/72/1173105772.db2.gz ULYJHOUJEBGBKU-GFCCVEGCSA-N -1 3 288.311 1.529 20 30 CDEDHM CC(=NO[C@@H]1CCCCO1)c1cc(-c2nn[n-]n2)ccn1 ZINC001588782417 1173105777 /nfs/dbraw/zinc/10/57/77/1173105777.db2.gz ULYJHOUJEBGBKU-GFCCVEGCSA-N -1 3 288.311 1.529 20 30 CDEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N(C)C[C@@H](C)C#N ZINC001588908409 1173113131 /nfs/dbraw/zinc/11/31/31/1173113131.db2.gz RMCPTZAKYXFMMT-VIFPVBQESA-N -1 3 284.323 1.665 20 30 CDEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N(C)C[C@@H](C)C#N ZINC001588908409 1173113136 /nfs/dbraw/zinc/11/31/36/1173113136.db2.gz RMCPTZAKYXFMMT-VIFPVBQESA-N -1 3 284.323 1.665 20 30 CDEDHM C[C@H](C#N)CNCc1cc(-c2nnn[n-]2)cnc1Cl ZINC001588934718 1173116854 /nfs/dbraw/zinc/11/68/54/1173116854.db2.gz RROSHYLGZQLBDY-SSDOTTSWSA-N -1 3 277.719 1.164 20 30 CDEDHM C[C@H](C#N)CNCc1cc(-c2nn[n-]n2)cnc1Cl ZINC001588934718 1173116857 /nfs/dbraw/zinc/11/68/57/1173116857.db2.gz RROSHYLGZQLBDY-SSDOTTSWSA-N -1 3 277.719 1.164 20 30 CDEDHM C[C@@H](C#N)N(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588934693 1173116995 /nfs/dbraw/zinc/11/69/95/1173116995.db2.gz RGICTTKGGLXBJK-HZMBPMFUSA-N -1 3 298.350 1.277 20 30 CDEDHM C[C@@H](C#N)N(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588934693 1173116997 /nfs/dbraw/zinc/11/69/97/1173116997.db2.gz RGICTTKGGLXBJK-HZMBPMFUSA-N -1 3 298.350 1.277 20 30 CDEDHM C[C@H](CC#N)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001589788586 1173182111 /nfs/dbraw/zinc/18/21/11/1173182111.db2.gz ZGZLZYYYIMZDBI-ZJUUUORDSA-N -1 3 284.323 1.594 20 30 CDEDHM C[C@H](CC#N)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001589788586 1173182115 /nfs/dbraw/zinc/18/21/15/1173182115.db2.gz ZGZLZYYYIMZDBI-ZJUUUORDSA-N -1 3 284.323 1.594 20 30 CDEDHM C[C@@H](CC#N)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001589788386 1173182121 /nfs/dbraw/zinc/18/21/21/1173182121.db2.gz XOKMBISJBWPLAW-ZETCQYMHSA-N -1 3 290.714 1.552 20 30 CDEDHM C[C@@H](CC#N)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001589788386 1173182124 /nfs/dbraw/zinc/18/21/24/1173182124.db2.gz XOKMBISJBWPLAW-ZETCQYMHSA-N -1 3 290.714 1.552 20 30 CDEDHM C[C@@]12COC[C@@H]1CN(c1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001590156006 1173274750 /nfs/dbraw/zinc/27/47/50/1173274750.db2.gz WGQFCZCXFZBVFC-XHDPSFHLSA-N -1 3 296.334 1.211 20 30 CDEDHM C[C@@]12COC[C@@H]1CN(c1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001590156006 1173274754 /nfs/dbraw/zinc/27/47/54/1173274754.db2.gz WGQFCZCXFZBVFC-XHDPSFHLSA-N -1 3 296.334 1.211 20 30 CDEDHM CC[C@H](CC#N)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001590419498 1173403595 /nfs/dbraw/zinc/40/35/95/1173403595.db2.gz MSIOIOXOUBKBNV-CYBMUJFWSA-N -1 3 298.350 1.608 20 30 CDEDHM CC[C@H](CC#N)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001590419498 1173403599 /nfs/dbraw/zinc/40/35/99/1173403599.db2.gz MSIOIOXOUBKBNV-CYBMUJFWSA-N -1 3 298.350 1.608 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590538931 1173454665 /nfs/dbraw/zinc/45/46/65/1173454665.db2.gz SHYKSOUBDHCODE-LAUAKBEESA-N -1 3 296.334 1.688 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590538931 1173454669 /nfs/dbraw/zinc/45/46/69/1173454669.db2.gz SHYKSOUBDHCODE-LAUAKBEESA-N -1 3 296.334 1.688 20 30 CDEDHM CCN(Cc1cc(F)ccc1-c1nnn[n-]1)[C@H](C)C#N ZINC001590717336 1173494746 /nfs/dbraw/zinc/49/47/46/1173494746.db2.gz VLSQVSCJLCQJPL-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM CCN(Cc1cc(F)ccc1-c1nn[n-]n1)[C@H](C)C#N ZINC001590717336 1173494751 /nfs/dbraw/zinc/49/47/51/1173494751.db2.gz VLSQVSCJLCQJPL-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM COc1cc(Oc2cnc(C#N)cn2)ccc1-c1nnn[n-]1 ZINC001591555142 1173669497 /nfs/dbraw/zinc/66/94/97/1173669497.db2.gz ROYDSWCNWMNQFS-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM COc1cc(Oc2cnc(C#N)cn2)ccc1-c1nn[n-]n1 ZINC001591555142 1173669500 /nfs/dbraw/zinc/66/95/00/1173669500.db2.gz ROYDSWCNWMNQFS-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1Cn1ccnc1C#N ZINC001591850794 1173714469 /nfs/dbraw/zinc/71/44/69/1173714469.db2.gz KDCJFDXATSJCCJ-UHFFFAOYSA-N -1 3 279.307 1.600 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1Cn1ccnc1C#N ZINC001591850794 1173714474 /nfs/dbraw/zinc/71/44/74/1173714474.db2.gz KDCJFDXATSJCCJ-UHFFFAOYSA-N -1 3 279.307 1.600 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)NC1(C#N)CC1 ZINC001591841690 1173715572 /nfs/dbraw/zinc/71/55/72/1173715572.db2.gz BQQDHJYEHKABLC-UHFFFAOYSA-N -1 3 296.334 1.198 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)NC1(C#N)CC1 ZINC001591841690 1173715576 /nfs/dbraw/zinc/71/55/76/1173715576.db2.gz BQQDHJYEHKABLC-UHFFFAOYSA-N -1 3 296.334 1.198 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N[C@@H](C#N)C(C)(C)C ZINC001591876445 1173733580 /nfs/dbraw/zinc/73/35/80/1173733580.db2.gz BTFSJTVVIRPDTE-JTQLQIEISA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N[C@@H](C#N)C(C)(C)C ZINC001591876445 1173733585 /nfs/dbraw/zinc/73/35/85/1173733585.db2.gz BTFSJTVVIRPDTE-JTQLQIEISA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001592100477 1173798456 /nfs/dbraw/zinc/79/84/56/1173798456.db2.gz YITKDSUAIBVKDE-CMPLNLGQSA-N -1 3 296.334 1.597 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001592100477 1173798465 /nfs/dbraw/zinc/79/84/65/1173798465.db2.gz YITKDSUAIBVKDE-CMPLNLGQSA-N -1 3 296.334 1.597 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccccc1C ZINC001592257064 1173836979 /nfs/dbraw/zinc/83/69/79/1173836979.db2.gz AMSQDBGNOGGPHD-UHFFFAOYSA-N -1 3 279.307 1.600 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccccc1C ZINC001592257064 1173836986 /nfs/dbraw/zinc/83/69/86/1173836986.db2.gz AMSQDBGNOGGPHD-UHFFFAOYSA-N -1 3 279.307 1.600 20 30 CDEDHM N#Cc1ccc(Sc2cccc(F)c2-c2nnn[n-]2)nn1 ZINC001592698014 1173975271 /nfs/dbraw/zinc/97/52/71/1173975271.db2.gz YLJDQUFYVWHXBN-UHFFFAOYSA-N -1 3 299.294 1.819 20 30 CDEDHM N#Cc1cnn(Cc2cccc(-c3nnn[n-]3)c2F)c1 ZINC001592703984 1173976831 /nfs/dbraw/zinc/97/68/31/1173976831.db2.gz MOSMRSFHFDACFU-UHFFFAOYSA-N -1 3 269.243 1.122 20 30 CDEDHM N#Cc1cnn(Cc2cccc(-c3nn[n-]n3)c2F)c1 ZINC001592703984 1173976837 /nfs/dbraw/zinc/97/68/37/1173976837.db2.gz MOSMRSFHFDACFU-UHFFFAOYSA-N -1 3 269.243 1.122 20 30 CDEDHM N#Cc1nccc(N2CCc3ccc(-c4nnn[n-]4)cc32)n1 ZINC001592708657 1173980289 /nfs/dbraw/zinc/98/02/89/1173980289.db2.gz GPVQOIQYKMARAZ-UHFFFAOYSA-N -1 3 290.290 1.223 20 30 CDEDHM N#Cc1nccc(N2CCc3ccc(-c4nn[n-]n4)cc32)n1 ZINC001592708657 1173980294 /nfs/dbraw/zinc/98/02/94/1173980294.db2.gz GPVQOIQYKMARAZ-UHFFFAOYSA-N -1 3 290.290 1.223 20 30 CDEDHM C#C[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602689406 1175354703 /nfs/dbraw/zinc/35/47/03/1175354703.db2.gz FTUHZCPJGRETCZ-ZETCQYMHSA-N -1 3 290.714 1.663 20 30 CDEDHM C#C[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602689406 1175354707 /nfs/dbraw/zinc/35/47/07/1175354707.db2.gz FTUHZCPJGRETCZ-ZETCQYMHSA-N -1 3 290.714 1.663 20 30 CDEDHM C#C[C@H]1CCCC[C@H]1OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001602691482 1175357001 /nfs/dbraw/zinc/35/70/01/1175357001.db2.gz YNSQHJSUDLSNFS-JOYOIKCWSA-N -1 3 285.307 1.544 20 30 CDEDHM C#C[C@H]1CCCC[C@H]1OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001602691482 1175357007 /nfs/dbraw/zinc/35/70/07/1175357007.db2.gz YNSQHJSUDLSNFS-JOYOIKCWSA-N -1 3 285.307 1.544 20 30 CDEDHM C#C[C@@H]1CCCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001602696946 1175360620 /nfs/dbraw/zinc/36/06/20/1175360620.db2.gz PHLXMBUZOBQDSQ-SECBINFHSA-N -1 3 289.289 1.995 20 30 CDEDHM C#C[C@@H]1CCCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001602696946 1175360625 /nfs/dbraw/zinc/36/06/25/1175360625.db2.gz PHLXMBUZOBQDSQ-SECBINFHSA-N -1 3 289.289 1.995 20 30 CDEDHM C#C[C@H]1CCCN(C(=O)c2ncc(-c3nnn[n-]3)cc2C)C1 ZINC001602696107 1175361652 /nfs/dbraw/zinc/36/16/52/1175361652.db2.gz ASLNIMAOGLFTOM-NSHDSACASA-N -1 3 296.334 1.056 20 30 CDEDHM C#C[C@H]1CCCN(C(=O)c2ncc(-c3nn[n-]n3)cc2C)C1 ZINC001602696107 1175361658 /nfs/dbraw/zinc/36/16/58/1175361658.db2.gz ASLNIMAOGLFTOM-NSHDSACASA-N -1 3 296.334 1.056 20 30 CDEDHM C#CC[C@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001602699262 1175363968 /nfs/dbraw/zinc/36/39/68/1175363968.db2.gz FRDZSOTWRMHVTA-LBPRGKRZSA-N -1 3 295.346 1.281 20 30 CDEDHM C#CC[C@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001602699262 1175363973 /nfs/dbraw/zinc/36/39/73/1175363973.db2.gz FRDZSOTWRMHVTA-LBPRGKRZSA-N -1 3 295.346 1.281 20 30 CDEDHM C#CCN(CC#N)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC001602720472 1175373443 /nfs/dbraw/zinc/37/34/43/1175373443.db2.gz WYGQVAMJPWXMQJ-UHFFFAOYSA-N -1 3 291.318 1.078 20 30 CDEDHM C#CCN(CC#N)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC001602720472 1175373448 /nfs/dbraw/zinc/37/34/48/1175373448.db2.gz WYGQVAMJPWXMQJ-UHFFFAOYSA-N -1 3 291.318 1.078 20 30 CDEDHM C#CCOC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001602726170 1175375263 /nfs/dbraw/zinc/37/52/63/1175375263.db2.gz PVSLXAMCVREWOK-UHFFFAOYSA-N -1 3 286.266 1.214 20 30 CDEDHM C#CCOC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001602726170 1175375272 /nfs/dbraw/zinc/37/52/72/1175375272.db2.gz PVSLXAMCVREWOK-UHFFFAOYSA-N -1 3 286.266 1.214 20 30 CDEDHM C#CCOCCN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001602728540 1175377805 /nfs/dbraw/zinc/37/78/05/1175377805.db2.gz VMLCBBMFLNGTFI-SNVBAGLBSA-N -1 3 280.349 1.280 20 30 CDEDHM C#Cc1ccc(Nc2nnccc2-c2nnn[n-]2)cc1 ZINC001602741334 1175379835 /nfs/dbraw/zinc/37/98/35/1175379835.db2.gz GGWOEKPCFDBNIS-UHFFFAOYSA-N -1 3 263.264 1.382 20 30 CDEDHM C#Cc1ccc(Nc2nnccc2-c2nn[n-]n2)cc1 ZINC001602741334 1175379841 /nfs/dbraw/zinc/37/98/41/1175379841.db2.gz GGWOEKPCFDBNIS-UHFFFAOYSA-N -1 3 263.264 1.382 20 30 CDEDHM C=C(C)C[C@@H](CO)Nc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001602753822 1175387133 /nfs/dbraw/zinc/38/71/33/1175387133.db2.gz VJCGTPUIBHGNFJ-NSHDSACASA-N -1 3 288.355 1.618 20 30 CDEDHM C=C(C)C[C@@H](CO)Nc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001602753822 1175387139 /nfs/dbraw/zinc/38/71/39/1175387139.db2.gz VJCGTPUIBHGNFJ-NSHDSACASA-N -1 3 288.355 1.618 20 30 CDEDHM C=C(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001602768012 1175393317 /nfs/dbraw/zinc/39/33/17/1175393317.db2.gz OZNXJBRKKXRKPK-UHFFFAOYSA-N -1 3 294.318 1.638 20 30 CDEDHM C=C(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC001602768012 1175393326 /nfs/dbraw/zinc/39/33/26/1175393326.db2.gz OZNXJBRKKXRKPK-UHFFFAOYSA-N -1 3 294.318 1.638 20 30 CDEDHM C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCCCC)C(=O)[O-] ZINC001602788941 1175402552 /nfs/dbraw/zinc/40/25/52/1175402552.db2.gz RFYZHPNCPJYDBJ-NXEZZACHSA-N -1 3 276.764 1.606 20 30 CDEDHM C=C[C@@H](CC)OC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001602803138 1175405810 /nfs/dbraw/zinc/40/58/10/1175405810.db2.gz HKTZZENIOBKFJX-QMMMGPOBSA-N -1 3 261.285 1.327 20 30 CDEDHM C=C[C@@H](CC)OC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001602803138 1175405813 /nfs/dbraw/zinc/40/58/13/1175405813.db2.gz HKTZZENIOBKFJX-QMMMGPOBSA-N -1 3 261.285 1.327 20 30 CDEDHM C=CCCC[C@@H](N)C(=O)N[C@](C)(CCC)C(=O)[O-] ZINC001602862375 1175438251 /nfs/dbraw/zinc/43/82/51/1175438251.db2.gz DFNSSAWIIVWQSR-ZWNOBZJWSA-N -1 3 256.346 1.430 20 30 CDEDHM CC(=NN[C@@H]1CCSC1)c1cccc(-c2nnn[n-]2)c1 ZINC001602906205 1175447686 /nfs/dbraw/zinc/44/76/86/1175447686.db2.gz IADYWYNOTRDKNF-GFCCVEGCSA-N -1 3 288.380 1.686 20 30 CDEDHM CC(=NN[C@@H]1CCSC1)c1cccc(-c2nn[n-]n2)c1 ZINC001602906205 1175447690 /nfs/dbraw/zinc/44/76/90/1175447690.db2.gz IADYWYNOTRDKNF-GFCCVEGCSA-N -1 3 288.380 1.686 20 30 CDEDHM C[C@H](C#N)OCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602989406 1175473180 /nfs/dbraw/zinc/47/31/80/1175473180.db2.gz QMWBFEWSGYGSOH-MRVPVSSYSA-N -1 3 293.714 1.828 20 30 CDEDHM C[C@H](C#N)OCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602989406 1175473183 /nfs/dbraw/zinc/47/31/83/1175473183.db2.gz QMWBFEWSGYGSOH-MRVPVSSYSA-N -1 3 293.714 1.828 20 30 CDEDHM CC(C)C#CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001603192412 1175511781 /nfs/dbraw/zinc/51/17/81/1175511781.db2.gz AGTXULOPNQCBPF-UHFFFAOYSA-N -1 3 287.298 1.281 20 30 CDEDHM CC(C)C#CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001603192412 1175511788 /nfs/dbraw/zinc/51/17/88/1175511788.db2.gz AGTXULOPNQCBPF-UHFFFAOYSA-N -1 3 287.298 1.281 20 30 CDEDHM CC(C)[C@@H](O)CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603231712 1175521257 /nfs/dbraw/zinc/52/12/57/1175521257.db2.gz ZCZOMBYWIVKSOG-LBPRGKRZSA-N -1 3 286.339 1.557 20 30 CDEDHM CC(C)[C@@H](O)CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603231712 1175521261 /nfs/dbraw/zinc/52/12/61/1175521261.db2.gz ZCZOMBYWIVKSOG-LBPRGKRZSA-N -1 3 286.339 1.557 20 30 CDEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCCO1 ZINC001603808278 1175639623 /nfs/dbraw/zinc/63/96/23/1175639623.db2.gz YZNAURFVNPJWST-AWEZNQCLSA-N -1 3 284.323 1.719 20 30 CDEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCCO1 ZINC001603808278 1175639628 /nfs/dbraw/zinc/63/96/28/1175639628.db2.gz YZNAURFVNPJWST-AWEZNQCLSA-N -1 3 284.323 1.719 20 30 CDEDHM CCC(=NN1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001603966224 1175700783 /nfs/dbraw/zinc/70/07/83/1175700783.db2.gz XIOAGQQQQPYQDS-UHFFFAOYSA-N -1 3 256.313 1.687 20 30 CDEDHM CCC(=NN1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001603966224 1175700789 /nfs/dbraw/zinc/70/07/89/1175700789.db2.gz XIOAGQQQQPYQDS-UHFFFAOYSA-N -1 3 256.313 1.687 20 30 CDEDHM CC[C@@H](CC#N)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001604013323 1175718567 /nfs/dbraw/zinc/71/85/67/1175718567.db2.gz IDJYODBVCRSAHC-QMMMGPOBSA-N -1 3 287.283 1.879 20 30 CDEDHM N#CC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000159612847 1178245055 /nfs/dbraw/zinc/24/50/55/1178245055.db2.gz MFPDTVAECMZUGJ-UHFFFAOYSA-N -1 3 293.117 1.390 20 30 CDEDHM C#C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001609019062 1164725369 /nfs/dbraw/zinc/72/53/69/1164725369.db2.gz MERWYAFIQZHBIY-ZDUSSCGKSA-N -1 3 283.335 1.183 20 30 CDEDHM C#C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001609019062 1164725380 /nfs/dbraw/zinc/72/53/80/1164725380.db2.gz MERWYAFIQZHBIY-ZDUSSCGKSA-N -1 3 283.335 1.183 20 30 CDEDHM C=C(CC)CNC(=O)c1sccc1-c1nnn[n-]1 ZINC001609051549 1164743455 /nfs/dbraw/zinc/74/34/55/1164743455.db2.gz GILCSBZCVIHKHV-UHFFFAOYSA-N -1 3 263.326 1.624 20 30 CDEDHM C=C(CC)CNC(=O)c1sccc1-c1nn[n-]n1 ZINC001609051549 1164743460 /nfs/dbraw/zinc/74/34/60/1164743460.db2.gz GILCSBZCVIHKHV-UHFFFAOYSA-N -1 3 263.326 1.624 20 30 CDEDHM C=C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001609052754 1164743505 /nfs/dbraw/zinc/74/35/05/1164743505.db2.gz OOWHPUZMJMMZHZ-SECBINFHSA-N -1 3 286.339 1.237 20 30 CDEDHM C=C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001609052754 1164743508 /nfs/dbraw/zinc/74/35/08/1164743508.db2.gz OOWHPUZMJMMZHZ-SECBINFHSA-N -1 3 286.339 1.237 20 30 CDEDHM C=CCN(CCC#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609055800 1164750836 /nfs/dbraw/zinc/75/08/36/1164750836.db2.gz WMMDXWJHFLPVLY-UHFFFAOYSA-N -1 3 268.324 1.768 20 30 CDEDHM C=CCN(CCC#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609055800 1164750846 /nfs/dbraw/zinc/75/08/46/1164750846.db2.gz WMMDXWJHFLPVLY-UHFFFAOYSA-N -1 3 268.324 1.768 20 30 CDEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CC#N ZINC001609102263 1164770687 /nfs/dbraw/zinc/77/06/87/1164770687.db2.gz 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[O-]c1c(O)ccc(/C=N/[C@@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000770566985 575468774 /nfs/dbraw/zinc/46/87/74/575468774.db2.gz CKHVSDYGRJGSNY-GYDVKFCJSA-N -1 3 293.319 1.560 20 30 CDEDHM C[C@H](C#N)CN(C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000735506420 575475287 /nfs/dbraw/zinc/47/52/87/575475287.db2.gz WLZHINVVUCIFGM-LLVKDONJSA-N -1 3 295.350 1.711 20 30 CDEDHM C[C@H](C#N)CN(C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000735506420 575475289 /nfs/dbraw/zinc/47/52/89/575475289.db2.gz WLZHINVVUCIFGM-LLVKDONJSA-N -1 3 295.350 1.711 20 30 CDEDHM CC(C)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735895481 575531799 /nfs/dbraw/zinc/53/17/99/575531799.db2.gz WHTAIRRNJKTYHJ-UHFFFAOYSA-N -1 3 286.295 1.102 20 30 CDEDHM CC(C)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735895481 575531800 /nfs/dbraw/zinc/53/18/00/575531800.db2.gz WHTAIRRNJKTYHJ-UHFFFAOYSA-N -1 3 286.295 1.102 20 30 CDEDHM C[C@@H](CN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1)C(=O)[O-] ZINC000736574726 575694069 /nfs/dbraw/zinc/69/40/69/575694069.db2.gz 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/nfs/dbraw/zinc/08/13/16/576081316.db2.gz ROQZNFNELADALZ-JTQLQIEISA-N -1 3 266.272 1.183 20 30 CDEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000739012647 576149337 /nfs/dbraw/zinc/14/93/37/576149337.db2.gz MQULHWZLZAXFRT-KXUCPTDWSA-N -1 3 283.287 1.470 20 30 CDEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1cncc(C)c1 ZINC000767370825 576185069 /nfs/dbraw/zinc/18/50/69/576185069.db2.gz OZGAGTLGIMWDTM-UHFFFAOYSA-N -1 3 267.296 1.892 20 30 CDEDHM CC(C)(C#N)CCCCOC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000768509583 576291268 /nfs/dbraw/zinc/29/12/68/576291268.db2.gz UZCVJVGWXATFKW-SNVBAGLBSA-N -1 3 295.339 1.238 20 30 CDEDHM C#CCSCC[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000763578778 576742640 /nfs/dbraw/zinc/74/26/40/576742640.db2.gz OMPCKNSWEKDURQ-UHFFFAOYSA-N -1 3 290.435 1.350 20 30 CDEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1cc(O)cc(O)c1 ZINC000753696304 576854230 /nfs/dbraw/zinc/85/42/30/576854230.db2.gz FXRSJQDAQQRJKD-UHFFFAOYSA-N -1 3 284.279 1.600 20 30 CDEDHM [O-]c1ccccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753929141 576866610 /nfs/dbraw/zinc/86/66/10/576866610.db2.gz OVUMAEXJXSISCD-TXEJJXNPSA-N -1 3 258.325 1.586 20 30 CDEDHM [O-]c1ccccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753929139 576866618 /nfs/dbraw/zinc/86/66/18/576866618.db2.gz OVUMAEXJXSISCD-RYUDHWBXSA-N -1 3 258.325 1.586 20 30 CDEDHM CC(C)(C)OCCCn1ccc(C=N[O-])nc1=O ZINC000756874654 577011589 /nfs/dbraw/zinc/01/15/89/577011589.db2.gz RIJUMZORYNOBJL-UHFFFAOYSA-N -1 3 253.302 1.257 20 30 CDEDHM COc1ccc(C=NNC(=S)N[C@@H](C)C2CC2)c([O-])c1 ZINC000751532084 577048577 /nfs/dbraw/zinc/04/85/77/577048577.db2.gz UBRZJOAHXQEKNG-VIFPVBQESA-N -1 3 293.392 1.997 20 30 CDEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819719103 607253160 /nfs/dbraw/zinc/25/31/60/607253160.db2.gz ZNKBROWKENDRMJ-UHFFFAOYSA-N -1 3 278.319 1.990 20 30 CDEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819719103 607253161 /nfs/dbraw/zinc/25/31/61/607253161.db2.gz ZNKBROWKENDRMJ-UHFFFAOYSA-N -1 3 278.319 1.990 20 30 CDEDHM Cc1c(NC(=O)N(C)[C@H](C)CC#N)cccc1-c1nnn[n-]1 ZINC000822075622 607283999 /nfs/dbraw/zinc/28/39/99/607283999.db2.gz FUXGDVXOFFJSMN-SECBINFHSA-N -1 3 299.338 1.941 20 30 CDEDHM Cc1c(NC(=O)N(C)[C@H](C)CC#N)cccc1-c1nn[n-]n1 ZINC000822075622 607284000 /nfs/dbraw/zinc/28/40/00/607284000.db2.gz FUXGDVXOFFJSMN-SECBINFHSA-N -1 3 299.338 1.941 20 30 CDEDHM COc1ccc(C#N)cc1CN1CC[C@H](C(=O)[O-])C1 ZINC000131426980 597351760 /nfs/dbraw/zinc/35/17/60/597351760.db2.gz ZUFFKFXMSOHVAE-NSHDSACASA-N -1 3 260.293 1.473 20 30 CDEDHM CC(C)N(CC(=O)[O-])Cc1cccc(C#N)c1F ZINC000222388134 598172329 /nfs/dbraw/zinc/17/23/29/598172329.db2.gz NBVFMNWQEXUVCF-UHFFFAOYSA-N -1 3 250.273 1.992 20 30 CDEDHM C[C@@H](C#N)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819844742 599551662 /nfs/dbraw/zinc/55/16/62/599551662.db2.gz LUHFVSJJZBFIQS-IUCAKERBSA-N -1 3 270.296 1.204 20 30 CDEDHM CC[C@@H](C(=O)[O-])N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000828603294 601006170 /nfs/dbraw/zinc/00/61/70/601006170.db2.gz HFNLMMVKMOFJLH-RYUDHWBXSA-N -1 3 253.346 1.015 20 30 CDEDHM N#CCOc1ccc(CN[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000833068418 604999573 /nfs/dbraw/zinc/99/95/73/604999573.db2.gz YOMSLXXOKZUBGF-HNNXBMFYSA-N -1 3 297.314 1.899 20 30 CDEDHM C[C@@H](CC#N)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC000820219435 606060824 /nfs/dbraw/zinc/06/08/24/606060824.db2.gz GNCHMMYQJUMUTL-QMMMGPOBSA-N -1 3 260.276 1.744 20 30 CDEDHM C[C@@H](CC#N)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC000820219435 606060829 /nfs/dbraw/zinc/06/08/29/606060829.db2.gz GNCHMMYQJUMUTL-QMMMGPOBSA-N -1 3 260.276 1.744 20 30 CDEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2C2CC2)ccc1-c1nnn[n-]1 ZINC000822823432 606255545 /nfs/dbraw/zinc/25/55/45/606255545.db2.gz PWYNTHOUWBNDBH-STQMWFEESA-N -1 3 294.318 1.723 20 30 CDEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2C2CC2)ccc1-c1nn[n-]n1 ZINC000822823432 606255546 /nfs/dbraw/zinc/25/55/46/606255546.db2.gz PWYNTHOUWBNDBH-STQMWFEESA-N -1 3 294.318 1.723 20 30 CDEDHM C=CC(C)(C)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001602784209 1175400601 /nfs/dbraw/zinc/40/06/01/1175400601.db2.gz PKUCMVYQPSYKSC-UHFFFAOYSA-N -1 3 277.353 1.757 20 30 CDEDHM COC[C@H](C)CN=Nc1cccc(-c2nnn[n-]2)c1 ZINC000821681916 606702191 /nfs/dbraw/zinc/70/21/91/606702191.db2.gz VLQABULFUINNFL-SECBINFHSA-N -1 3 260.301 1.547 20 30 CDEDHM COC[C@H](C)CN=Nc1cccc(-c2nn[n-]n2)c1 ZINC000821681916 606702192 /nfs/dbraw/zinc/70/21/92/606702192.db2.gz VLQABULFUINNFL-SECBINFHSA-N -1 3 260.301 1.547 20 30 CDEDHM CC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1 ZINC000820577147 606732328 /nfs/dbraw/zinc/73/23/28/606732328.db2.gz LRIBQGXIJPKQAW-UHFFFAOYSA-N -1 3 268.280 1.477 20 30 CDEDHM CC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1 ZINC000820577147 606732330 /nfs/dbraw/zinc/73/23/30/606732330.db2.gz LRIBQGXIJPKQAW-UHFFFAOYSA-N -1 3 268.280 1.477 20 30 CDEDHM C=C1CCN(c2nnc(CC)c(CC)c2-c2nnn[n-]2)CC1 ZINC000819729072 606933190 /nfs/dbraw/zinc/93/31/90/606933190.db2.gz BKCXPQDCIOQJOC-UHFFFAOYSA-N -1 3 299.382 1.938 20 30 CDEDHM C=C1CCN(c2nnc(CC)c(CC)c2-c2nn[n-]n2)CC1 ZINC000819729072 606933191 /nfs/dbraw/zinc/93/31/91/606933191.db2.gz BKCXPQDCIOQJOC-UHFFFAOYSA-N -1 3 299.382 1.938 20 30 CDEDHM Cc1nn(Cc2ccc(F)cc2C#N)c(N)c1-c1nnn[n-]1 ZINC000822500932 607158858 /nfs/dbraw/zinc/15/88/58/607158858.db2.gz MUUMCTWMAIXZNN-UHFFFAOYSA-N -1 3 298.285 1.013 20 30 CDEDHM Cc1nn(Cc2ccc(F)cc2C#N)c(N)c1-c1nn[n-]n1 ZINC000822500932 607158859 /nfs/dbraw/zinc/15/88/59/607158859.db2.gz MUUMCTWMAIXZNN-UHFFFAOYSA-N -1 3 298.285 1.013 20 30 CDEDHM N#CCSCC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822814557 607246313 /nfs/dbraw/zinc/24/63/13/607246313.db2.gz JHINKEOBMZRMID-UHFFFAOYSA-N -1 3 293.283 1.168 20 30 CDEDHM N#CCSCC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822814557 607246314 /nfs/dbraw/zinc/24/63/14/607246314.db2.gz JHINKEOBMZRMID-UHFFFAOYSA-N -1 3 293.283 1.168 20 30 CDEDHM CCn1ccnc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000825805234 607886072 /nfs/dbraw/zinc/88/60/72/607886072.db2.gz YRAGLZYYCJJRAL-UHFFFAOYSA-N -1 3 282.311 1.529 20 30 CDEDHM CCn1ccnc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000825805234 607886073 /nfs/dbraw/zinc/88/60/73/607886073.db2.gz YRAGLZYYCJJRAL-UHFFFAOYSA-N -1 3 282.311 1.529 20 30 CDEDHM C#CCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000823845093 608228044 /nfs/dbraw/zinc/22/80/44/608228044.db2.gz NZVPGCLTOJLLKZ-UHFFFAOYSA-N -1 3 264.292 1.850 20 30 CDEDHM C#CCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000823845093 608228045 /nfs/dbraw/zinc/22/80/45/608228045.db2.gz NZVPGCLTOJLLKZ-UHFFFAOYSA-N -1 3 264.292 1.850 20 30 CDEDHM C[C@@H](CC#N)N(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824385089 608679359 /nfs/dbraw/zinc/67/93/59/608679359.db2.gz LLDRQUUXEQROIL-QMMMGPOBSA-N -1 3 262.342 1.662 20 30 CDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1cnnc1 ZINC000823914791 609156867 /nfs/dbraw/zinc/15/68/67/609156867.db2.gz NOPLTAZWXIKJCG-UHFFFAOYSA-N -1 3 296.338 1.104 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826380867 609263371 /nfs/dbraw/zinc/26/33/71/609263371.db2.gz OTMQXSDWOMGCAA-ZYHUDNBSSA-N -1 3 297.322 1.680 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826380867 609263372 /nfs/dbraw/zinc/26/33/72/609263372.db2.gz OTMQXSDWOMGCAA-ZYHUDNBSSA-N -1 3 297.322 1.680 20 30 CDEDHM C#CCNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823850294 609278430 /nfs/dbraw/zinc/27/84/30/609278430.db2.gz NBIGWTRNQDZXHN-UHFFFAOYSA-N -1 3 283.270 1.237 20 30 CDEDHM N#CC1(COc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000826380323 609311412 /nfs/dbraw/zinc/31/14/12/609311412.db2.gz VMXLKSWEXKMMSN-UHFFFAOYSA-N -1 3 259.244 1.688 20 30 CDEDHM N#CC1(COc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826380323 609311413 /nfs/dbraw/zinc/31/14/13/609311413.db2.gz VMXLKSWEXKMMSN-UHFFFAOYSA-N -1 3 259.244 1.688 20 30 CDEDHM C=CCOCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823925473 609605962 /nfs/dbraw/zinc/60/59/62/609605962.db2.gz KSCWRCNBCNANNS-UHFFFAOYSA-N -1 3 288.311 1.191 20 30 CDEDHM C=CCOCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823925473 609605965 /nfs/dbraw/zinc/60/59/65/609605965.db2.gz KSCWRCNBCNANNS-UHFFFAOYSA-N -1 3 288.311 1.191 20 30 CDEDHM C=CCCc1noc([C@H]([N-]S(=O)(=O)C2CC2)C(C)C)n1 ZINC000924083183 617557709 /nfs/dbraw/zinc/55/77/09/617557709.db2.gz DDWFJGWTPBGWDG-GFCCVEGCSA-N -1 3 299.396 1.967 20 30 CDEDHM CC[C@@H](O)CNN=Cc1ccc(Br)cc1[O-] ZINC000853346824 618102215 /nfs/dbraw/zinc/10/22/15/618102215.db2.gz MXGQTISNEJVWDD-SNVBAGLBSA-N -1 3 287.157 1.849 20 30 CDEDHM Cc1cc2n[n-]c(NC(=O)C#CC(C)C)c2c(=O)n1C ZINC000910649736 618377939 /nfs/dbraw/zinc/37/79/39/618377939.db2.gz LCPVUISDYUNFMQ-UHFFFAOYSA-N -1 3 272.308 1.168 20 30 CDEDHM Cc1cc2[n-]nc(NC(=O)C#CC(C)C)c2c(=O)n1C ZINC000910649736 618377948 /nfs/dbraw/zinc/37/79/48/618377948.db2.gz LCPVUISDYUNFMQ-UHFFFAOYSA-N -1 3 272.308 1.168 20 30 CDEDHM Cc1ncc(CNC(=O)CNc2ccc(C#N)cc2)c(=O)[n-]1 ZINC000345098664 618727524 /nfs/dbraw/zinc/72/75/24/618727524.db2.gz SVLLHPFCTPKEHL-UHFFFAOYSA-N -1 3 297.318 1.091 20 30 CDEDHM N#Cc1cnccc1N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000894375157 618832756 /nfs/dbraw/zinc/83/27/56/618832756.db2.gz NNHQFAVEWCWHAU-SECBINFHSA-N -1 3 255.281 1.376 20 30 CDEDHM O=C1[C@@H](NCc2ccc(-c3cc[nH]n3)o2)CCCN1[O-] ZINC000895159288 619376576 /nfs/dbraw/zinc/37/65/76/619376576.db2.gz DDVJLOHWAXSETB-NSHDSACASA-N -1 3 276.296 1.140 20 30 CDEDHM O=C1[C@@H](NCc2cccc(F)c2F)CCCN1[O-] ZINC000895165178 619392210 /nfs/dbraw/zinc/39/22/10/619392210.db2.gz KKOFZVNHTKRFPH-JTQLQIEISA-N -1 3 256.252 1.435 20 30 CDEDHM C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCCN([O-])C2=O)o1 ZINC000895165478 619393588 /nfs/dbraw/zinc/39/35/88/619393588.db2.gz LCVUASTUUWOKCM-USWWRNFRSA-N -1 3 264.325 1.873 20 30 CDEDHM O=C1[C@@H](NCc2cnn(-c3ccccc3)c2)CCCN1[O-] ZINC000895167281 619398302 /nfs/dbraw/zinc/39/83/02/619398302.db2.gz YBTXQQVQCMWRHO-AWEZNQCLSA-N -1 3 286.335 1.342 20 30 CDEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)C(C)(C)O)c1[O-] ZINC000840711019 620360497 /nfs/dbraw/zinc/36/04/97/620360497.db2.gz UIFVTVZFPWDBHI-APSNUPSMSA-N -1 3 280.368 1.804 20 30 CDEDHM CC[C@@H](CC#N)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000787084303 621324833 /nfs/dbraw/zinc/32/48/33/621324833.db2.gz MSHIUWGMRSGHRT-JTQLQIEISA-N -1 3 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N#Cc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)cn1 ZINC001606369357 1163880301 /nfs/dbraw/zinc/88/03/01/1163880301.db2.gz WBTZJMUOIVMMMN-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM C=C(C)CCc1noc(-c2cc(-c3nnn[n-]3)cn2C)n1 ZINC001609051179 1164745005 /nfs/dbraw/zinc/74/50/05/1164745005.db2.gz QHBVBLCEQIGTAT-UHFFFAOYSA-N -1 3 285.311 1.764 20 30 CDEDHM C=C(C)CCc1noc(-c2cc(-c3nn[n-]n3)cn2C)n1 ZINC001609051179 1164745010 /nfs/dbraw/zinc/74/50/10/1164745010.db2.gz QHBVBLCEQIGTAT-UHFFFAOYSA-N -1 3 285.311 1.764 20 30 CDEDHM C[C@H](CC#N)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609108258 1164773327 /nfs/dbraw/zinc/77/33/27/1164773327.db2.gz HOUPLISSNOSEGW-SSDOTTSWSA-N -1 3 273.256 1.489 20 30 CDEDHM C[C@H](CC#N)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609108258 1164773333 /nfs/dbraw/zinc/77/33/33/1164773333.db2.gz HOUPLISSNOSEGW-SSDOTTSWSA-N -1 3 273.256 1.489 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1cnccn1 ZINC001609500079 1164977958 /nfs/dbraw/zinc/97/79/58/1164977958.db2.gz YLQITUSXTVFIDN-UHFFFAOYSA-N -1 3 292.306 1.183 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1cnccn1 ZINC001609500079 1164977963 /nfs/dbraw/zinc/97/79/63/1164977963.db2.gz YLQITUSXTVFIDN-UHFFFAOYSA-N -1 3 292.306 1.183 20 30 CDEDHM Cc1nn(CCC(=O)[O-])c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC001610570820 1165359620 /nfs/dbraw/zinc/35/96/20/1165359620.db2.gz LWTNDKAMEKPODC-QWHCGFSZSA-N -1 3 290.367 1.757 20 30 CDEDHM Cc1ocnc1C(=O)[N-]c1n[nH]c(-c2cccc(C#N)c2)n1 ZINC001654861943 1171644098 /nfs/dbraw/zinc/64/40/98/1171644098.db2.gz HEKGETIJVINIKC-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1cc(NC(=O)c2coc(C#N)c2)cc(-c2nnn[n-]2)c1 ZINC001580985726 1172576590 /nfs/dbraw/zinc/57/65/90/1172576590.db2.gz VGMADQVXHDDBKU-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1cc(NC(=O)c2coc(C#N)c2)cc(-c2nn[n-]n2)c1 ZINC001580985726 1172576595 /nfs/dbraw/zinc/57/65/95/1172576595.db2.gz VGMADQVXHDDBKU-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM C#C[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588325735 1172628888 /nfs/dbraw/zinc/62/88/88/1172628888.db2.gz UGIOZTSZJJQJLP-VIFPVBQESA-N -1 3 286.295 1.228 20 30 CDEDHM C#C[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588325735 1172628892 /nfs/dbraw/zinc/62/88/92/1172628892.db2.gz UGIOZTSZJJQJLP-VIFPVBQESA-N -1 3 286.295 1.228 20 30 CDEDHM C#C[C@@H](C)Nc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001588326307 1173028921 /nfs/dbraw/zinc/02/89/21/1173028921.db2.gz JFVJDLICONBCRD-ZCFIWIBFSA-N -1 3 262.704 1.657 20 30 CDEDHM C#C[C@@H](C)Nc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001588326307 1173028925 /nfs/dbraw/zinc/02/89/25/1173028925.db2.gz JFVJDLICONBCRD-ZCFIWIBFSA-N -1 3 262.704 1.657 20 30 CDEDHM C#CC[C@H](CCOC)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588332154 1173034292 /nfs/dbraw/zinc/03/42/92/1173034292.db2.gz WFBSEJAXNLTCME-LLVKDONJSA-N -1 3 286.339 1.410 20 30 CDEDHM C#CC[C@H](CCOC)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588332154 1173034297 /nfs/dbraw/zinc/03/42/97/1173034297.db2.gz WFBSEJAXNLTCME-LLVKDONJSA-N -1 3 286.339 1.410 20 30 CDEDHM C#CC[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588337708 1173043013 /nfs/dbraw/zinc/04/30/13/1173043013.db2.gz VCGNMYWALJXFJG-LLVKDONJSA-N -1 3 281.319 1.352 20 30 CDEDHM C#CC[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588337708 1173043016 /nfs/dbraw/zinc/04/30/16/1173043016.db2.gz VCGNMYWALJXFJG-LLVKDONJSA-N -1 3 281.319 1.352 20 30 CDEDHM C#CCCCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588337672 1173043038 /nfs/dbraw/zinc/04/30/38/1173043038.db2.gz AVFCFYJTBBSYNP-LLVKDONJSA-N -1 3 283.335 1.847 20 30 CDEDHM C#CCCCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588337672 1173043044 /nfs/dbraw/zinc/04/30/44/1173043044.db2.gz AVFCFYJTBBSYNP-LLVKDONJSA-N -1 3 283.335 1.847 20 30 CDEDHM C#CCC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588338004 1173043848 /nfs/dbraw/zinc/04/38/48/1173043848.db2.gz ZRZCPMLXDWRRFL-VIFPVBQESA-N -1 3 273.296 1.164 20 30 CDEDHM C#CCC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588338004 1173043855 /nfs/dbraw/zinc/04/38/55/1173043855.db2.gz ZRZCPMLXDWRRFL-VIFPVBQESA-N -1 3 273.296 1.164 20 30 CDEDHM C#CCCNc1nc2cc(Cl)ccn2c1-c1nnn[n-]1 ZINC001588347832 1173045983 /nfs/dbraw/zinc/04/59/83/1173045983.db2.gz ZZSVFBCFYHQROG-UHFFFAOYSA-N -1 3 287.714 1.603 20 30 CDEDHM C#CCCNc1nc2cc(Cl)ccn2c1-c1nn[n-]n1 ZINC001588347832 1173045988 /nfs/dbraw/zinc/04/59/88/1173045988.db2.gz ZZSVFBCFYHQROG-UHFFFAOYSA-N -1 3 287.714 1.603 20 30 CDEDHM C#CCN(c1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001588351794 1173048966 /nfs/dbraw/zinc/04/89/66/1173048966.db2.gz KTBZURHMAPUQMX-UHFFFAOYSA-N -1 3 274.715 1.517 20 30 CDEDHM C#CCN(c1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001588351794 1173048973 /nfs/dbraw/zinc/04/89/73/1173048973.db2.gz KTBZURHMAPUQMX-UHFFFAOYSA-N -1 3 274.715 1.517 20 30 CDEDHM C=CC(C)(C)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588488904 1173069461 /nfs/dbraw/zinc/06/94/61/1173069461.db2.gz QKGRZHFAIBHDJF-MDZDMXLPSA-N -1 3 283.335 1.961 20 30 CDEDHM C=CC(C)(C)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588488904 1173069464 /nfs/dbraw/zinc/06/94/64/1173069464.db2.gz QKGRZHFAIBHDJF-MDZDMXLPSA-N -1 3 283.335 1.961 20 30 CDEDHM C=C[C@@H](C)ONC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588519293 1173072788 /nfs/dbraw/zinc/07/27/88/1173072788.db2.gz WYWPDCYJOURANF-SSDOTTSWSA-N -1 3 292.274 1.633 20 30 CDEDHM C=C[C@@H](C)ONC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588519293 1173072796 /nfs/dbraw/zinc/07/27/96/1173072796.db2.gz WYWPDCYJOURANF-SSDOTTSWSA-N -1 3 292.274 1.633 20 30 CDEDHM C=CCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588608650 1173088023 /nfs/dbraw/zinc/08/80/23/1173088023.db2.gz AZKWASWIAQAKDX-JTQLQIEISA-N -1 3 286.339 1.803 20 30 CDEDHM C=CCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588608650 1173088029 /nfs/dbraw/zinc/08/80/29/1173088029.db2.gz AZKWASWIAQAKDX-JTQLQIEISA-N -1 3 286.339 1.803 20 30 CDEDHM C=CCN(C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588626875 1173092086 /nfs/dbraw/zinc/09/20/86/1173092086.db2.gz UHWSZWDJSOGTFB-UHFFFAOYSA-N -1 3 283.335 1.543 20 30 CDEDHM C=CCN(C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588626875 1173092094 /nfs/dbraw/zinc/09/20/94/1173092094.db2.gz UHWSZWDJSOGTFB-UHFFFAOYSA-N -1 3 283.335 1.543 20 30 CDEDHM C=CCN(CC=C)C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588631586 1173093089 /nfs/dbraw/zinc/09/30/89/1173093089.db2.gz IJUHNDCPJOQUFV-UHFFFAOYSA-N -1 3 284.323 1.384 20 30 CDEDHM C=CCN(CC=C)C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588631586 1173093096 /nfs/dbraw/zinc/09/30/96/1173093096.db2.gz IJUHNDCPJOQUFV-UHFFFAOYSA-N -1 3 284.323 1.384 20 30 CDEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCCC#N ZINC001588909587 1173113328 /nfs/dbraw/zinc/11/33/28/1173113328.db2.gz GGCYSDYKQRPNSF-UHFFFAOYSA-N -1 3 256.269 1.395 20 30 CDEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCCC#N ZINC001588909587 1173113334 /nfs/dbraw/zinc/11/33/34/1173113334.db2.gz GGCYSDYKQRPNSF-UHFFFAOYSA-N -1 3 256.269 1.395 20 30 CDEDHM C[C@H](C#N)OCCN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001588933846 1173115459 /nfs/dbraw/zinc/11/54/59/1173115459.db2.gz AOHNHIGQEHAVSO-LLVKDONJSA-N -1 3 298.350 1.548 20 30 CDEDHM C[C@H](C#N)OCCN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001588933846 1173115461 /nfs/dbraw/zinc/11/54/61/1173115461.db2.gz AOHNHIGQEHAVSO-LLVKDONJSA-N -1 3 298.350 1.548 20 30 CDEDHM C[C@@H](C#N)CNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588933887 1173115887 /nfs/dbraw/zinc/11/58/87/1173115887.db2.gz AYQDJMXFOMYDBY-ZETCQYMHSA-N -1 3 290.714 1.410 20 30 CDEDHM C[C@@H](C#N)CNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588933887 1173115888 /nfs/dbraw/zinc/11/58/88/1173115888.db2.gz AYQDJMXFOMYDBY-ZETCQYMHSA-N -1 3 290.714 1.410 20 30 CDEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)CC#N ZINC001589892211 1173198384 /nfs/dbraw/zinc/19/83/84/1173198384.db2.gz WHICYIKQYIOTGR-SNVBAGLBSA-N -1 3 284.323 1.027 20 30 CDEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CC#N ZINC001589892211 1173198385 /nfs/dbraw/zinc/19/83/85/1173198385.db2.gz WHICYIKQYIOTGR-SNVBAGLBSA-N -1 3 284.323 1.027 20 30 CDEDHM C[C@H]1OCC(N=Nc2cccc(-c3nnn[n-]3)c2)[C@@H]1C ZINC001590335284 1173359963 /nfs/dbraw/zinc/35/99/63/1173359963.db2.gz MNKILIWCPFRSRF-RKDXNWHRSA-N -1 3 272.312 1.689 20 30 CDEDHM C[C@H]1OCC(N=Nc2cccc(-c3nn[n-]n3)c2)[C@@H]1C ZINC001590335284 1173359971 /nfs/dbraw/zinc/35/99/71/1173359971.db2.gz MNKILIWCPFRSRF-RKDXNWHRSA-N -1 3 272.312 1.689 20 30 CDEDHM CC[C@H](C#N)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001590367084 1173377199 /nfs/dbraw/zinc/37/71/99/1173377199.db2.gz ALLGMTACLJUPSO-SSDOTTSWSA-N -1 3 276.325 1.094 20 30 CDEDHM CC[C@H](CC#N)NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590420288 1173403613 /nfs/dbraw/zinc/40/36/13/1173403613.db2.gz VSYOMTVPEWDMGL-SNVBAGLBSA-N -1 3 274.303 1.788 20 30 CDEDHM CC[C@H](CC#N)NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590420288 1173403616 /nfs/dbraw/zinc/40/36/16/1173403616.db2.gz VSYOMTVPEWDMGL-SNVBAGLBSA-N -1 3 274.303 1.788 20 30 CDEDHM CCN(C[C@H](C)C#N)C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001590683097 1173490448 /nfs/dbraw/zinc/49/04/48/1173490448.db2.gz UZCAXZNSQCKPHK-SNVBAGLBSA-N -1 3 298.350 1.797 20 30 CDEDHM CCN(C[C@H](C)C#N)C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001590683097 1173490451 /nfs/dbraw/zinc/49/04/51/1173490451.db2.gz UZCAXZNSQCKPHK-SNVBAGLBSA-N -1 3 298.350 1.797 20 30 CDEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C#CC(C)C ZINC001590828650 1173526076 /nfs/dbraw/zinc/52/60/76/1173526076.db2.gz DQIBEGVZEOCNIA-UHFFFAOYSA-N -1 3 299.334 1.863 20 30 CDEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C#CC(C)C ZINC001590828650 1173526080 /nfs/dbraw/zinc/52/60/80/1173526080.db2.gz DQIBEGVZEOCNIA-UHFFFAOYSA-N -1 3 299.334 1.863 20 30 CDEDHM CN(C(=O)CC1(C#N)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590977650 1173555738 /nfs/dbraw/zinc/55/57/38/1173555738.db2.gz AOIVHEGBEDVAHR-UHFFFAOYSA-N -1 3 282.307 1.523 20 30 CDEDHM CN(C(=O)CC1(C#N)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590977650 1173555744 /nfs/dbraw/zinc/55/57/44/1173555744.db2.gz AOIVHEGBEDVAHR-UHFFFAOYSA-N -1 3 282.307 1.523 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1CN1CC[C@](C)(C#N)C1 ZINC001591485539 1173661722 /nfs/dbraw/zinc/66/17/22/1173661722.db2.gz IWKLQOYMLJLNDJ-OAHLLOKOSA-N -1 3 298.350 1.611 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CC[C@](C)(C#N)C1 ZINC001591485539 1173661727 /nfs/dbraw/zinc/66/17/27/1173661727.db2.gz IWKLQOYMLJLNDJ-OAHLLOKOSA-N -1 3 298.350 1.611 20 30 CDEDHM COc1ccc(NC(=O)C(C)(C)C#N)cc1-c1nnn[n-]1 ZINC001591607833 1173673479 /nfs/dbraw/zinc/67/34/79/1173673479.db2.gz BSINGFICMSQBHJ-UHFFFAOYSA-N -1 3 286.295 1.364 20 30 CDEDHM COc1ccc(NC(=O)C(C)(C)C#N)cc1-c1nn[n-]n1 ZINC001591607833 1173673484 /nfs/dbraw/zinc/67/34/84/1173673484.db2.gz BSINGFICMSQBHJ-UHFFFAOYSA-N -1 3 286.295 1.364 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N([C@H](C)C#N)C1CC1 ZINC001591861016 1173725106 /nfs/dbraw/zinc/72/51/06/1173725106.db2.gz NBJNHCMRDKMGIN-SNVBAGLBSA-N -1 3 296.334 1.692 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N([C@H](C)C#N)C1CC1 ZINC001591861016 1173725110 /nfs/dbraw/zinc/72/51/10/1173725110.db2.gz NBJNHCMRDKMGIN-SNVBAGLBSA-N -1 3 296.334 1.692 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H](C#N)C1 ZINC001591861297 1173726459 /nfs/dbraw/zinc/72/64/59/1173726459.db2.gz AFPCJVOEDBEBTA-NSHDSACASA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H](C#N)C1 ZINC001591861297 1173726461 /nfs/dbraw/zinc/72/64/61/1173726461.db2.gz AFPCJVOEDBEBTA-NSHDSACASA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1nn(C)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592432037 1173888939 /nfs/dbraw/zinc/88/89/39/1173888939.db2.gz ORZFTLPMMFGOLD-YVMONPNESA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1nn(C)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592432037 1173888943 /nfs/dbraw/zinc/88/89/43/1173888943.db2.gz ORZFTLPMMFGOLD-YVMONPNESA-N -1 3 294.318 1.805 20 30 CDEDHM Fc1cccnc1N=NCc1cc(-c2nnn[n-]2)cs1 ZINC001592661165 1173957224 /nfs/dbraw/zinc/95/72/24/1173957224.db2.gz OERKSWFWEAXVPX-UHFFFAOYSA-N -1 3 289.299 1.908 20 30 CDEDHM Fc1cccnc1N=NCc1cc(-c2nn[n-]n2)cs1 ZINC001592661165 1173957229 /nfs/dbraw/zinc/95/72/29/1173957229.db2.gz OERKSWFWEAXVPX-UHFFFAOYSA-N -1 3 289.299 1.908 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H]2C[C@@H]21 ZINC001592699361 1173975789 /nfs/dbraw/zinc/97/57/89/1173975789.db2.gz WZPKLFDEGQZPHP-SKDRFNHKSA-N -1 3 266.308 1.727 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H]2C[C@@H]21 ZINC001592699361 1173975796 /nfs/dbraw/zinc/97/57/96/1173975796.db2.gz WZPKLFDEGQZPHP-SKDRFNHKSA-N -1 3 266.308 1.727 20 30 CDEDHM N#CCC[C@H](C#N)CNC[C@H](Cc1ccccc1)C(=O)[O-] ZINC001601066081 1174725469 /nfs/dbraw/zinc/72/54/69/1174725469.db2.gz CLSHVBGIKVUNNK-CABCVRRESA-N -1 3 285.347 1.963 20 30 CDEDHM C#CCN(c1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001602718117 1175371603 /nfs/dbraw/zinc/37/16/03/1175371603.db2.gz NDEKJKKJZPMYGM-UHFFFAOYSA-N -1 3 258.260 1.003 20 30 CDEDHM C#CCN(c1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001602718117 1175371609 /nfs/dbraw/zinc/37/16/09/1175371609.db2.gz NDEKJKKJZPMYGM-UHFFFAOYSA-N -1 3 258.260 1.003 20 30 CDEDHM C#CCSCC(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001602732971 1175377217 /nfs/dbraw/zinc/37/72/17/1175377217.db2.gz MHPPGBXRSSTMLI-UHFFFAOYSA-N -1 3 274.305 1.139 20 30 CDEDHM C#CCSCC(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602732971 1175377224 /nfs/dbraw/zinc/37/72/24/1175377224.db2.gz MHPPGBXRSSTMLI-UHFFFAOYSA-N -1 3 274.305 1.139 20 30 CDEDHM C=CCCCCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001602838293 1175428522 /nfs/dbraw/zinc/42/85/22/1175428522.db2.gz SJKKQXOOOKQPOV-UHFFFAOYSA-N -1 3 260.301 1.281 20 30 CDEDHM C=CCCCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001602838293 1175428524 /nfs/dbraw/zinc/42/85/24/1175428524.db2.gz SJKKQXOOOKQPOV-UHFFFAOYSA-N -1 3 260.301 1.281 20 30 CDEDHM C=CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001602846928 1175431693 /nfs/dbraw/zinc/43/16/93/1175431693.db2.gz CHUCKTDFNYBTGT-UHFFFAOYSA-N -1 3 287.327 1.690 20 30 CDEDHM C=CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001602846928 1175431695 /nfs/dbraw/zinc/43/16/95/1175431695.db2.gz CHUCKTDFNYBTGT-UHFFFAOYSA-N -1 3 287.327 1.690 20 30 CDEDHM CC#CCOc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001602898948 1175446882 /nfs/dbraw/zinc/44/68/82/1175446882.db2.gz 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N#Cc1csc(CN2CCSC[C@@H](C(=O)[O-])C2)c1 ZINC001608222005 1164456870 /nfs/dbraw/zinc/45/68/70/1164456870.db2.gz FQFRVUSSJYRPGS-JTQLQIEISA-N -1 3 282.390 1.869 20 30 CDEDHM C=CCC[C@H](O)CNc1cc(S(C)(=O)=O)ccc1[O-] ZINC001252608725 1164588688 /nfs/dbraw/zinc/58/86/88/1164588688.db2.gz GFGWUXFBZSWGGR-JTQLQIEISA-N -1 3 285.365 1.535 20 30 CDEDHM CC(=NN(C)C[C@@H](C)O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609060511 1164755122 /nfs/dbraw/zinc/75/51/22/1164755122.db2.gz OQUYHLKHDGRMTI-MRVPVSSYSA-N -1 3 292.318 1.042 20 30 CDEDHM CC(=NN(C)C[C@@H](C)O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609060511 1164755127 /nfs/dbraw/zinc/75/51/27/1164755127.db2.gz OQUYHLKHDGRMTI-MRVPVSSYSA-N -1 3 292.318 1.042 20 30 CDEDHM CC(C)(CCC#N)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609082732 1164759984 /nfs/dbraw/zinc/75/99/84/1164759984.db2.gz AZOGXNJBIGRBMQ-UHFFFAOYSA-N -1 3 298.350 1.926 20 30 CDEDHM CC(C)(CCC#N)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609082732 1164759992 /nfs/dbraw/zinc/75/99/92/1164759992.db2.gz AZOGXNJBIGRBMQ-UHFFFAOYSA-N -1 3 298.350 1.926 20 30 CDEDHM CN(C[C@@H]1CCCOC1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001609274083 1164876434 /nfs/dbraw/zinc/87/64/34/1164876434.db2.gz RWMCXXXTFQGRKD-NSHDSACASA-N -1 3 298.350 1.601 20 30 CDEDHM CN(C[C@@H]1CCCOC1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001609274083 1164876440 /nfs/dbraw/zinc/87/64/40/1164876440.db2.gz RWMCXXXTFQGRKD-NSHDSACASA-N -1 3 298.350 1.601 20 30 CDEDHM COCc1cccc(Cn2cnc(C#N)c2-c2nnn[n-]2)c1 ZINC001609331157 1164904607 /nfs/dbraw/zinc/90/46/07/1164904607.db2.gz PCWWAYFUSAMIHJ-UHFFFAOYSA-N -1 3 295.306 1.130 20 30 CDEDHM c1nc2c(cc1-c1nnn[n-]1)CCCC2=NNC12CC(C1)C2 ZINC001609620743 1165017971 /nfs/dbraw/zinc/01/79/71/1165017971.db2.gz BSEAZSSIECRYGU-UHFFFAOYSA-N -1 3 295.350 1.444 20 30 CDEDHM c1nc2c(cc1-c1nn[n-]n1)CCCC2=NNC12CC(C1)C2 ZINC001609620743 1165017975 /nfs/dbraw/zinc/01/79/75/1165017975.db2.gz BSEAZSSIECRYGU-UHFFFAOYSA-N -1 3 295.350 1.444 20 30 CDEDHM N#Cc1cnc(SCCc2nnn[n-]2)c(Cl)c1 ZINC001612512995 1165516028 /nfs/dbraw/zinc/51/60/28/1165516028.db2.gz GIAXYGOWFKAKAM-UHFFFAOYSA-N -1 3 266.717 1.455 20 30 CDEDHM N#Cc1cnc(SCCc2nn[n-]n2)c(Cl)c1 ZINC001612512995 1165516032 /nfs/dbraw/zinc/51/60/32/1165516032.db2.gz GIAXYGOWFKAKAM-UHFFFAOYSA-N -1 3 266.717 1.455 20 30 CDEDHM N#CC1([N-]S(=O)(=O)C[C@H]2CCCO2)CCCCCC1 ZINC000063155870 1169104251 /nfs/dbraw/zinc/10/42/51/1169104251.db2.gz AUGPZTFIZLPLAL-GFCCVEGCSA-N -1 3 286.397 1.701 20 30 CDEDHM CC1(C#N)CCC(NCc2nc(C(=O)[O-])n[nH]2)CC1 ZINC001573589845 1170700679 /nfs/dbraw/zinc/70/06/79/1170700679.db2.gz JSJAOFFABDZVIH-UHFFFAOYSA-N -1 3 263.301 1.065 20 30 CDEDHM N#Cc1ccnc(C(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC001581876733 1172626218 /nfs/dbraw/zinc/62/62/18/1172626218.db2.gz FHWQTJOJJBMWHP-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM N#Cc1ccnc(C(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC001581876733 1172626221 /nfs/dbraw/zinc/62/62/21/1172626221.db2.gz FHWQTJOJJBMWHP-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM C#C[C@H](CCC)NC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588327992 1173029995 /nfs/dbraw/zinc/02/99/95/1173029995.db2.gz WPSYSMXXOGXOCV-LLVKDONJSA-N -1 3 284.323 1.102 20 30 CDEDHM C#C[C@H](CCC)NC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588327992 1173030002 /nfs/dbraw/zinc/03/00/02/1173030002.db2.gz WPSYSMXXOGXOCV-LLVKDONJSA-N -1 3 284.323 1.102 20 30 CDEDHM C#C[C@H](N[C@H](C)c1cc(-c2nnn[n-]2)ccn1)[C@@H]1CCCO1 ZINC001588328723 1173031298 /nfs/dbraw/zinc/03/12/98/1173031298.db2.gz OYERGZOLIAQXEK-OSMZGAPFSA-N -1 3 298.350 1.093 20 30 CDEDHM C#C[C@H](N[C@H](C)c1cc(-c2nn[n-]n2)ccn1)[C@@H]1CCCO1 ZINC001588328723 1173031304 /nfs/dbraw/zinc/03/13/04/1173031304.db2.gz OYERGZOLIAQXEK-OSMZGAPFSA-N -1 3 298.350 1.093 20 30 CDEDHM C#CCN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001588352055 1173049937 /nfs/dbraw/zinc/04/99/37/1173049937.db2.gz RVJGETRVNRYOPP-UHFFFAOYSA-N -1 3 290.330 1.902 20 30 CDEDHM C#CCN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001588352055 1173049943 /nfs/dbraw/zinc/04/99/43/1173049943.db2.gz RVJGETRVNRYOPP-UHFFFAOYSA-N -1 3 290.330 1.902 20 30 CDEDHM C=C1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588462476 1173067450 /nfs/dbraw/zinc/06/74/50/1173067450.db2.gz IIOFNTLFNWHQRR-UHFFFAOYSA-N -1 3 299.338 1.123 20 30 CDEDHM C=C1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588462476 1173067456 /nfs/dbraw/zinc/06/74/56/1173067456.db2.gz IIOFNTLFNWHQRR-UHFFFAOYSA-N -1 3 299.338 1.123 20 30 CDEDHM C=C[C@@](C)(O)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588499265 1173070252 /nfs/dbraw/zinc/07/02/52/1173070252.db2.gz HVGCGULFFUDLKY-OAHLLOKOSA-N -1 3 299.334 1.620 20 30 CDEDHM C=C[C@@](C)(O)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588499265 1173070255 /nfs/dbraw/zinc/07/02/55/1173070255.db2.gz HVGCGULFFUDLKY-OAHLLOKOSA-N -1 3 299.334 1.620 20 30 CDEDHM C=CC[C@H](CO)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588545334 1173080849 /nfs/dbraw/zinc/08/08/49/1173080849.db2.gz FOTOQKIOIKZYKB-SECBINFHSA-N -1 3 263.276 1.355 20 30 CDEDHM C=CC[C@H](CO)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588545334 1173080853 /nfs/dbraw/zinc/08/08/53/1173080853.db2.gz FOTOQKIOIKZYKB-SECBINFHSA-N -1 3 263.276 1.355 20 30 CDEDHM C=CCCC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588576165 1173083806 /nfs/dbraw/zinc/08/38/06/1173083806.db2.gz HLWJTJDNQUDNQA-UHFFFAOYSA-N -1 3 261.260 1.911 20 30 CDEDHM C=CCCC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588576165 1173083811 /nfs/dbraw/zinc/08/38/11/1173083811.db2.gz HLWJTJDNQUDNQA-UHFFFAOYSA-N -1 3 261.260 1.911 20 30 CDEDHM C=CCOCCNC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588683417 1173098736 /nfs/dbraw/zinc/09/87/36/1173098736.db2.gz RXZSVOWWJVCSSZ-UHFFFAOYSA-N -1 3 287.323 1.108 20 30 CDEDHM C=CCOCCNC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588683417 1173098740 /nfs/dbraw/zinc/09/87/40/1173098740.db2.gz RXZSVOWWJVCSSZ-UHFFFAOYSA-N -1 3 287.323 1.108 20 30 CDEDHM CC#CCNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588747348 1173103434 /nfs/dbraw/zinc/10/34/34/1173103434.db2.gz BACIOXCALHSNNK-UHFFFAOYSA-N -1 3 275.699 1.273 20 30 CDEDHM CC#CCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588747348 1173103442 /nfs/dbraw/zinc/10/34/42/1173103442.db2.gz BACIOXCALHSNNK-UHFFFAOYSA-N -1 3 275.699 1.273 20 30 CDEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cn[nH]c1 ZINC001588780847 1173103989 /nfs/dbraw/zinc/10/39/89/1173103989.db2.gz QLVAKQFCWFSNGY-UHFFFAOYSA-N -1 3 268.284 1.426 20 30 CDEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cn[nH]c1 ZINC001588780847 1173103994 /nfs/dbraw/zinc/10/39/94/1173103994.db2.gz QLVAKQFCWFSNGY-UHFFFAOYSA-N -1 3 268.284 1.426 20 30 CDEDHM CC(C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589034403 1173119597 /nfs/dbraw/zinc/11/95/97/1173119597.db2.gz ZUHVDZPHYCCIDN-UHFFFAOYSA-N -1 3 274.259 1.494 20 30 CDEDHM CC(C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589034403 1173119599 /nfs/dbraw/zinc/11/95/99/1173119599.db2.gz ZUHVDZPHYCCIDN-UHFFFAOYSA-N -1 3 274.259 1.494 20 30 CDEDHM CC(C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589036019 1173119841 /nfs/dbraw/zinc/11/98/41/1173119841.db2.gz JCWBDUYZZYADDQ-UHFFFAOYSA-N -1 3 290.714 1.552 20 30 CDEDHM CC(C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589036019 1173119844 /nfs/dbraw/zinc/11/98/44/1173119844.db2.gz JCWBDUYZZYADDQ-UHFFFAOYSA-N -1 3 290.714 1.552 20 30 CDEDHM C/C=C\COC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590355608 1173369442 /nfs/dbraw/zinc/36/94/42/1173369442.db2.gz SUOWKFJPZZSEBA-XQJDBVBESA-N -1 3 297.318 1.668 20 30 CDEDHM C/C=C\COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590355608 1173369448 /nfs/dbraw/zinc/36/94/48/1173369448.db2.gz SUOWKFJPZZSEBA-XQJDBVBESA-N -1 3 297.318 1.668 20 30 CDEDHM CC[C@H](C#N)N(CC)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001590367561 1173377134 /nfs/dbraw/zinc/37/71/34/1173377134.db2.gz DAASBLKWZXPTAI-LLVKDONJSA-N -1 3 299.338 1.334 20 30 CDEDHM CC[C@H](C#N)N(CC)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001590367561 1173377142 /nfs/dbraw/zinc/37/71/42/1173377142.db2.gz DAASBLKWZXPTAI-LLVKDONJSA-N -1 3 299.338 1.334 20 30 CDEDHM CCN(Cc1cncc(-c2nnn[n-]2)c1)C[C@@H](C)C#N ZINC001590721989 1173499757 /nfs/dbraw/zinc/49/97/57/1173499757.db2.gz XPWHFNMYQLFGGV-JTQLQIEISA-N -1 3 271.328 1.243 20 30 CDEDHM CCN(Cc1cncc(-c2nn[n-]n2)c1)C[C@@H](C)C#N ZINC001590721989 1173499762 /nfs/dbraw/zinc/49/97/62/1173499762.db2.gz XPWHFNMYQLFGGV-JTQLQIEISA-N -1 3 271.328 1.243 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1nnccc1C#N ZINC001591136989 1173578067 /nfs/dbraw/zinc/57/80/67/1173578067.db2.gz RGGWOSFVCGPRGF-UHFFFAOYSA-N -1 3 292.306 1.165 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1nnccc1C#N ZINC001591136989 1173578071 /nfs/dbraw/zinc/57/80/71/1173578071.db2.gz RGGWOSFVCGPRGF-UHFFFAOYSA-N -1 3 292.306 1.165 20 30 CDEDHM COc1ccc(NCCO[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC001591616462 1173674740 /nfs/dbraw/zinc/67/47/40/1173674740.db2.gz MHDCHRVQSAYDAT-VIFPVBQESA-N -1 3 288.311 1.216 20 30 CDEDHM COc1ccc(NCCO[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC001591616462 1173674742 /nfs/dbraw/zinc/67/47/42/1173674742.db2.gz MHDCHRVQSAYDAT-VIFPVBQESA-N -1 3 288.311 1.216 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N(C)C[C@H](C)C#N ZINC001591836932 1173712631 /nfs/dbraw/zinc/71/26/31/1173712631.db2.gz OPJGFPSYNXOJHN-SECBINFHSA-N -1 3 298.350 1.715 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N(C)C[C@H](C)C#N ZINC001591836932 1173712635 /nfs/dbraw/zinc/71/26/35/1173712635.db2.gz OPJGFPSYNXOJHN-SECBINFHSA-N -1 3 298.350 1.715 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)O[C@H](C)CC#N ZINC001591880958 1173735337 /nfs/dbraw/zinc/73/53/37/1173735337.db2.gz NAGMABCTOVIOLQ-MRVPVSSYSA-N -1 3 272.268 1.029 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)O[C@H](C)CC#N ZINC001591880958 1173735342 /nfs/dbraw/zinc/73/53/42/1173735342.db2.gz NAGMABCTOVIOLQ-MRVPVSSYSA-N -1 3 272.268 1.029 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@]1(C#N)CC1(C)C ZINC001592096523 1173798963 /nfs/dbraw/zinc/79/89/63/1173798963.db2.gz BELUKFCFKNOZNC-HNNXBMFYSA-N -1 3 296.334 1.597 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@]1(C#N)CC1(C)C ZINC001592096523 1173798967 /nfs/dbraw/zinc/79/89/67/1173798967.db2.gz BELUKFCFKNOZNC-HNNXBMFYSA-N -1 3 296.334 1.597 20 30 CDEDHM Cc1nc(NCc2ccnc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001592393978 1173878531 /nfs/dbraw/zinc/87/85/31/1173878531.db2.gz LCWLDVBBENILPH-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1nc(NCc2ccnc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001592393978 1173878534 /nfs/dbraw/zinc/87/85/34/1173878534.db2.gz LCWLDVBBENILPH-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1nocc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592465879 1173896516 /nfs/dbraw/zinc/89/65/16/1173896516.db2.gz FEEMBHZRKGEZGV-UHFFFAOYSA-N -1 3 281.279 1.647 20 30 CDEDHM Cc1nocc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592465879 1173896520 /nfs/dbraw/zinc/89/65/20/1173896520.db2.gz FEEMBHZRKGEZGV-UHFFFAOYSA-N -1 3 281.279 1.647 20 30 CDEDHM Fc1cc(C=NOCC2CC2)ccc1-c1nnn[n-]1 ZINC001592638542 1173947852 /nfs/dbraw/zinc/94/78/52/1173947852.db2.gz YFHFSJKZQDNBNL-UHFFFAOYSA-N -1 3 261.260 1.766 20 30 CDEDHM Fc1cc(C=NOCC2CC2)ccc1-c1nn[n-]n1 ZINC001592638542 1173947855 /nfs/dbraw/zinc/94/78/55/1173947855.db2.gz YFHFSJKZQDNBNL-UHFFFAOYSA-N -1 3 261.260 1.766 20 30 CDEDHM N#CC1(COc2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001592669816 1173961407 /nfs/dbraw/zinc/96/14/07/1173961407.db2.gz NUPLKZVCBFYXFG-UHFFFAOYSA-N -1 3 259.244 1.688 20 30 CDEDHM N#CC1(COc2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001592669816 1173961412 /nfs/dbraw/zinc/96/14/12/1173961412.db2.gz NUPLKZVCBFYXFG-UHFFFAOYSA-N -1 3 259.244 1.688 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCCCO1 ZINC001592699036 1173973990 /nfs/dbraw/zinc/97/39/90/1173973990.db2.gz NSPJRTQHPAYOQJ-UHFFFAOYSA-N -1 3 256.269 1.270 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCCCO1 ZINC001592699036 1173973994 /nfs/dbraw/zinc/97/39/94/1173973994.db2.gz NSPJRTQHPAYOQJ-UHFFFAOYSA-N -1 3 256.269 1.270 20 30 CDEDHM N#Cc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592701675 1173978981 /nfs/dbraw/zinc/97/89/81/1173978981.db2.gz OZXBVQNFBMATDO-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM N#Cc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592701675 1173978984 /nfs/dbraw/zinc/97/89/84/1173978984.db2.gz OZXBVQNFBMATDO-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 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CDEDHM C#CCN(C)CCCNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000911404919 629270936 /nfs/dbraw/zinc/27/09/36/629270936.db2.gz LFWLHCWKYBQMDV-SOFGYWHQSA-N -1 3 290.319 1.062 20 30 CDEDHM C[C@@H](C#N)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000029008277 630120368 /nfs/dbraw/zinc/12/03/68/630120368.db2.gz MGQHKSIRLWWHIR-QMMMGPOBSA-N -1 3 268.294 1.127 20 30 CDEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCCCO2)c1[O-] ZINC000920387174 632766597 /nfs/dbraw/zinc/76/65/97/632766597.db2.gz MKJXVNSSVJLBGV-IYVNWDGISA-N -1 3 264.325 1.576 20 30 CDEDHM N#CCCN1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837919 1161522787 /nfs/dbraw/zinc/52/27/87/1161522787.db2.gz ZFXCGVZNTOWQCR-UHFFFAOYSA-N -1 3 263.316 1.563 20 30 CDEDHM N#CCc1cnc(NCCCc2c[n-][nH]c2=O)c(Cl)c1 ZINC001156286044 1162002654 /nfs/dbraw/zinc/00/26/54/1162002654.db2.gz WGDCBJQVZBHCST-JTQLQIEISA-N -1 3 291.742 1.725 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1NCCO[C@H](C)C#N ZINC001605176701 1163477755 /nfs/dbraw/zinc/47/77/55/1163477755.db2.gz YVHAMODEIIZSGI-SECBINFHSA-N -1 3 288.311 1.216 20 30 CDEDHM COc1ccc(CN2CCC[C@@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001605275283 1163510412 /nfs/dbraw/zinc/51/04/12/1163510412.db2.gz ICYSGFIRJJAXGS-LBPRGKRZSA-N -1 3 298.350 1.611 20 30 CDEDHM COc1ccc(CN2CCC[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001605275283 1163510417 /nfs/dbraw/zinc/51/04/17/1163510417.db2.gz ICYSGFIRJJAXGS-LBPRGKRZSA-N -1 3 298.350 1.611 20 30 CDEDHM COc1ccc(NC(=O)C2(C#N)CCC2)cc1-c1nnn[n-]1 ZINC001605293248 1163515636 /nfs/dbraw/zinc/51/56/36/1163515636.db2.gz LVWKFPAIEXTPJO-UHFFFAOYSA-N -1 3 298.306 1.508 20 30 CDEDHM COc1ccc(NC(=O)C2(C#N)CCC2)cc1-c1nn[n-]n1 ZINC001605293248 1163515644 /nfs/dbraw/zinc/51/56/44/1163515644.db2.gz LVWKFPAIEXTPJO-UHFFFAOYSA-N -1 3 298.306 1.508 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1Cn1ccnc1C#N ZINC001605541047 1163604465 /nfs/dbraw/zinc/60/44/65/1163604465.db2.gz HGACRFYDWLJDNE-UHFFFAOYSA-N -1 3 265.280 1.292 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1Cn1ccnc1C#N ZINC001605541047 1163604470 /nfs/dbraw/zinc/60/44/70/1163604470.db2.gz HGACRFYDWLJDNE-UHFFFAOYSA-N -1 3 265.280 1.292 20 30 CDEDHM Cc1cc(C(=O)N(C)C[C@@H](C)C#N)cc(C)c1-c1nnn[n-]1 ZINC001605591078 1163617887 /nfs/dbraw/zinc/61/78/87/1163617887.db2.gz IRXVLCCOAXTSGR-VIFPVBQESA-N -1 3 298.350 1.715 20 30 CDEDHM Cc1cc(C(=O)N(C)C[C@@H](C)C#N)cc(C)c1-c1nn[n-]n1 ZINC001605591078 1163617892 /nfs/dbraw/zinc/61/78/92/1163617892.db2.gz IRXVLCCOAXTSGR-VIFPVBQESA-N -1 3 298.350 1.715 20 30 CDEDHM Cc1cc(NCc2ccc(-c3nnn[n-]3)cn2)cc(C#N)n1 ZINC001605739217 1163658430 /nfs/dbraw/zinc/65/84/30/1163658430.db2.gz BLRIOLHBJUBSQI-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1cc(NCc2ccc(-c3nn[n-]n3)cn2)cc(C#N)n1 ZINC001605739217 1163658432 /nfs/dbraw/zinc/65/84/32/1163658432.db2.gz BLRIOLHBJUBSQI-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccc(C)cc1 ZINC001605860850 1163694370 /nfs/dbraw/zinc/69/43/70/1163694370.db2.gz BEDPFPSFQGWEOY-UHFFFAOYSA-N -1 3 279.307 1.600 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccc(C)cc1 ZINC001605860850 1163694373 /nfs/dbraw/zinc/69/43/73/1163694373.db2.gz BEDPFPSFQGWEOY-UHFFFAOYSA-N -1 3 279.307 1.600 20 30 CDEDHM C=CCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609054896 1164749723 /nfs/dbraw/zinc/74/97/23/1164749723.db2.gz KVSJTDXASFLGKD-HJWRWDBZSA-N -1 3 270.292 1.999 20 30 CDEDHM C=CCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609054896 1164749731 /nfs/dbraw/zinc/74/97/31/1164749731.db2.gz KVSJTDXASFLGKD-HJWRWDBZSA-N -1 3 270.292 1.999 20 30 CDEDHM C=CCN1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001609057554 1164750326 /nfs/dbraw/zinc/75/03/26/1164750326.db2.gz YYOPCNFQMWRCLS-ZDUSSCGKSA-N -1 3 298.350 1.090 20 30 CDEDHM C=CCSCCNC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001609059002 1164752298 /nfs/dbraw/zinc/75/22/98/1164752298.db2.gz IXJDNNLEGJMXHD-UHFFFAOYSA-N -1 3 292.368 1.152 20 30 CDEDHM C=CCSCCNC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001609059002 1164752306 /nfs/dbraw/zinc/75/23/06/1164752306.db2.gz IXJDNNLEGJMXHD-UHFFFAOYSA-N -1 3 292.368 1.152 20 30 CDEDHM C[C@H]1C[C@@H](CNc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001609157608 1164806789 /nfs/dbraw/zinc/80/67/89/1164806789.db2.gz TUDLBKKNLWZRDD-QWRGUYRKSA-N -1 3 298.350 1.965 20 30 CDEDHM C[C@H]1C[C@@H](CNc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001609157608 1164806794 /nfs/dbraw/zinc/80/67/94/1164806794.db2.gz TUDLBKKNLWZRDD-QWRGUYRKSA-N -1 3 298.350 1.965 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1cscc1-c1nnn[n-]1 ZINC001609204169 1164844218 /nfs/dbraw/zinc/84/42/18/1164844218.db2.gz TWIVICYLLAEAFM-ZETCQYMHSA-N -1 3 276.325 1.350 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1cscc1-c1nn[n-]n1 ZINC001609204169 1164844220 /nfs/dbraw/zinc/84/42/20/1164844220.db2.gz TWIVICYLLAEAFM-ZETCQYMHSA-N -1 3 276.325 1.350 20 30 CDEDHM CCN(CC#N)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609221406 1164850720 /nfs/dbraw/zinc/85/07/20/1164850720.db2.gz YNWFJHJAFQDCOD-UHFFFAOYSA-N -1 3 296.334 1.270 20 30 CDEDHM CCN(CC#N)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609221406 1164850724 /nfs/dbraw/zinc/85/07/24/1164850724.db2.gz YNWFJHJAFQDCOD-UHFFFAOYSA-N -1 3 296.334 1.270 20 30 CDEDHM Cc1c(C(=O)N(C)[C@H](C)CC#N)cccc1-c1nnn[n-]1 ZINC001609379474 1164916014 /nfs/dbraw/zinc/91/60/14/1164916014.db2.gz LBRDCHJVYXKCDL-SECBINFHSA-N -1 3 284.323 1.549 20 30 CDEDHM Cc1c(C(=O)N(C)[C@H](C)CC#N)cccc1-c1nn[n-]n1 ZINC001609379474 1164916020 /nfs/dbraw/zinc/91/60/20/1164916020.db2.gz LBRDCHJVYXKCDL-SECBINFHSA-N -1 3 284.323 1.549 20 30 CDEDHM Cc1c(C(=O)OCC2(C#N)CC2)cccc1-c1nnn[n-]1 ZINC001609382327 1164919723 /nfs/dbraw/zinc/91/97/23/1164919723.db2.gz XMPYIYPKMAXXNP-UHFFFAOYSA-N -1 3 283.291 1.636 20 30 CDEDHM Cc1c(C(=O)OCC2(C#N)CC2)cccc1-c1nn[n-]n1 ZINC001609382327 1164919728 /nfs/dbraw/zinc/91/97/28/1164919728.db2.gz XMPYIYPKMAXXNP-UHFFFAOYSA-N -1 3 283.291 1.636 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC001609482479 1164967278 /nfs/dbraw/zinc/96/72/78/1164967278.db2.gz DJLORTSBGNQINR-NSCUHMNNSA-N -1 3 286.320 1.558 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC001609482479 1164967281 /nfs/dbraw/zinc/96/72/81/1164967281.db2.gz DJLORTSBGNQINR-NSCUHMNNSA-N -1 3 286.320 1.558 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NOC[C@H]1CCOC1 ZINC001609499622 1164977679 /nfs/dbraw/zinc/97/76/79/1164977679.db2.gz BKZKYERHTRYTSG-VIFPVBQESA-N -1 3 286.295 1.118 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NOC[C@H]1CCOC1 ZINC001609499622 1164977684 /nfs/dbraw/zinc/97/76/84/1164977684.db2.gz BKZKYERHTRYTSG-VIFPVBQESA-N -1 3 286.295 1.118 20 30 CDEDHM N#Cc1ccnc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609500506 1164978314 /nfs/dbraw/zinc/97/83/14/1164978314.db2.gz FIWUGXUXWFYAOQ-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1ccnc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609500506 1164978320 /nfs/dbraw/zinc/97/83/20/1164978320.db2.gz FIWUGXUXWFYAOQ-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCC[C@@H]1O ZINC001609499739 1164978557 /nfs/dbraw/zinc/97/85/57/1164978557.db2.gz HHHQHRBJKORNCA-PWSUYJOCSA-N -1 3 284.323 1.311 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCC[C@@H]1O ZINC001609499739 1164978565 /nfs/dbraw/zinc/97/85/65/1164978565.db2.gz HHHQHRBJKORNCA-PWSUYJOCSA-N -1 3 284.323 1.311 20 30 CDEDHM N#CC1(C(=O)N2CCCN(CC(=O)[O-])CC2)CCCCC1 ZINC001646280562 1167742347 /nfs/dbraw/zinc/74/23/47/1167742347.db2.gz SWENCCQAQPXRAD-UHFFFAOYSA-N -1 3 293.367 1.079 20 30 CDEDHM N#Cc1ccc(Oc2cc(-c3nnn[n-]3)cnn2)c(F)c1 ZINC001581873846 1172626887 /nfs/dbraw/zinc/62/68/87/1172626887.db2.gz SCLINZCEVDWKDJ-UHFFFAOYSA-N -1 3 283.226 1.460 20 30 CDEDHM N#Cc1ccc(Oc2cc(-c3nn[n-]n3)cnn2)c(F)c1 ZINC001581873846 1172626890 /nfs/dbraw/zinc/62/68/90/1172626890.db2.gz SCLINZCEVDWKDJ-UHFFFAOYSA-N -1 3 283.226 1.460 20 30 CDEDHM C#CC1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001588331230 1173034775 /nfs/dbraw/zinc/03/47/75/1173034775.db2.gz PQSAFTPAKSBGKZ-UHFFFAOYSA-N -1 3 254.297 1.111 20 30 CDEDHM C#CC1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001588331230 1173034782 /nfs/dbraw/zinc/03/47/82/1173034782.db2.gz PQSAFTPAKSBGKZ-UHFFFAOYSA-N -1 3 254.297 1.111 20 30 CDEDHM C#CC[C@@H]1CCN(c2nc(C)cc(C)c2-c2nnn[n-]2)C1 ZINC001588337094 1173039547 /nfs/dbraw/zinc/03/95/47/1173039547.db2.gz IRXOHQPTGGIGKM-GFCCVEGCSA-N -1 3 282.351 1.728 20 30 CDEDHM C#CC[C@@H]1CCN(c2nc(C)cc(C)c2-c2nn[n-]n2)C1 ZINC001588337094 1173039554 /nfs/dbraw/zinc/03/95/54/1173039554.db2.gz IRXOHQPTGGIGKM-GFCCVEGCSA-N -1 3 282.351 1.728 20 30 CDEDHM C#CC[C@H]1CCN(c2cc(-c3nnn[n-]3)cc(C)n2)C1 ZINC001588337864 1173039966 /nfs/dbraw/zinc/03/99/66/1173039966.db2.gz XMMBWFFOQSNEAN-NSHDSACASA-N -1 3 268.324 1.420 20 30 CDEDHM C#CC[C@H]1CCN(c2cc(-c3nn[n-]n3)cc(C)n2)C1 ZINC001588337864 1173039974 /nfs/dbraw/zinc/03/99/74/1173039974.db2.gz XMMBWFFOQSNEAN-NSHDSACASA-N -1 3 268.324 1.420 20 30 CDEDHM C#CC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001588337673 1173043087 /nfs/dbraw/zinc/04/30/87/1173043087.db2.gz URWLWTAPTUSHJO-SNVBAGLBSA-N -1 3 298.306 1.625 20 30 CDEDHM C#CC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001588337673 1173043095 /nfs/dbraw/zinc/04/30/95/1173043095.db2.gz URWLWTAPTUSHJO-SNVBAGLBSA-N -1 3 298.306 1.625 20 30 CDEDHM C#CCN(C(=O)COc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588348489 1173047653 /nfs/dbraw/zinc/04/76/53/1173047653.db2.gz YNSWZGCMEJOQEJ-UHFFFAOYSA-N -1 3 299.334 1.116 20 30 CDEDHM C#CCN(C(=O)COc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588348489 1173047659 /nfs/dbraw/zinc/04/76/59/1173047659.db2.gz YNSWZGCMEJOQEJ-UHFFFAOYSA-N -1 3 299.334 1.116 20 30 CDEDHM C#Cc1cncc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588380066 1173052644 /nfs/dbraw/zinc/05/26/44/1173052644.db2.gz RWVUOQLDAPGTPG-UHFFFAOYSA-N -1 3 291.270 1.462 20 30 CDEDHM C=C[C@H]1CCCCN1C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588527323 1173074579 /nfs/dbraw/zinc/07/45/79/1173074579.db2.gz HNMYUKLEPQQUMS-LBPRGKRZSA-N -1 3 298.350 1.751 20 30 CDEDHM C=C[C@H]1CCCCN1C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588527323 1173074589 /nfs/dbraw/zinc/07/45/89/1173074589.db2.gz HNMYUKLEPQQUMS-LBPRGKRZSA-N -1 3 298.350 1.751 20 30 CDEDHM C=CCC[C@H](O)CN1CCc2c1cccc2-c1nnn[n-]1 ZINC001588578777 1173083228 /nfs/dbraw/zinc/08/32/28/1173083228.db2.gz FLNDSMJSHJWWMJ-NSHDSACASA-N -1 3 285.351 1.556 20 30 CDEDHM C=CCC[C@H](O)CN1CCc2c1cccc2-c1nn[n-]n1 ZINC001588578777 1173083233 /nfs/dbraw/zinc/08/32/33/1173083233.db2.gz FLNDSMJSHJWWMJ-NSHDSACASA-N -1 3 285.351 1.556 20 30 CDEDHM C=CCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001588609586 1173089132 /nfs/dbraw/zinc/08/91/32/1173089132.db2.gz QZNDDLUDLUHISD-SECBINFHSA-N -1 3 259.313 1.799 20 30 CDEDHM C=CCN(C)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588626547 1173091089 /nfs/dbraw/zinc/09/10/89/1173091089.db2.gz JYPNHBALKMCGOS-SNVBAGLBSA-N -1 3 287.323 1.278 20 30 CDEDHM C=CCONC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588689142 1173098721 /nfs/dbraw/zinc/09/87/21/1173098721.db2.gz GWDCTBZHXQJADZ-NWDGAFQWSA-N -1 3 285.307 1.204 20 30 CDEDHM C=CCOCCOc1c(C(C)=O)cccc1-c1nnn[n-]1 ZINC001588688918 1173098813 /nfs/dbraw/zinc/09/88/13/1173098813.db2.gz CNVVUBIDWHJWBR-UHFFFAOYSA-N -1 3 288.307 1.651 20 30 CDEDHM C=CCOCCOc1c(C(C)=O)cccc1-c1nn[n-]n1 ZINC001588688918 1173098816 /nfs/dbraw/zinc/09/88/16/1173098816.db2.gz CNVVUBIDWHJWBR-UHFFFAOYSA-N -1 3 288.307 1.651 20 30 CDEDHM C[C@@H](C#N)C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588924531 1173112508 /nfs/dbraw/zinc/11/25/08/1173112508.db2.gz UNNHINZGXLIFFC-UWVGGRQHSA-N -1 3 284.323 1.546 20 30 CDEDHM C[C@@H](C#N)OCCN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001588933847 1173114397 /nfs/dbraw/zinc/11/43/97/1173114397.db2.gz AOHNHIGQEHAVSO-NSHDSACASA-N -1 3 298.350 1.548 20 30 CDEDHM C[C@@H](C#N)OCCN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001588933847 1173114401 /nfs/dbraw/zinc/11/44/01/1173114401.db2.gz AOHNHIGQEHAVSO-NSHDSACASA-N -1 3 298.350 1.548 20 30 CDEDHM C[C@@]1(C#N)CCCN(Cc2cc(-c3nnn[n-]3)ccn2)C1 ZINC001590053563 1173241081 /nfs/dbraw/zinc/24/10/81/1173241081.db2.gz BGTFWYAXWZAYDY-AWEZNQCLSA-N -1 3 283.339 1.387 20 30 CDEDHM C[C@@]1(C#N)CCCN(Cc2cc(-c3nn[n-]n3)ccn2)C1 ZINC001590053563 1173241086 /nfs/dbraw/zinc/24/10/86/1173241086.db2.gz BGTFWYAXWZAYDY-AWEZNQCLSA-N -1 3 283.339 1.387 20 30 CDEDHM C[C@H]1CCN1C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590278139 1173339136 /nfs/dbraw/zinc/33/91/36/1173339136.db2.gz XJSBFJXXVDDNEP-GWCFXTLKSA-N -1 3 296.334 1.170 20 30 CDEDHM CCC(=NN[C@@H](C)COC)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358686 1173372402 /nfs/dbraw/zinc/37/24/02/1173372402.db2.gz CEBHQIIBQMTDMS-JTQLQIEISA-N -1 3 288.355 1.605 20 30 CDEDHM CCC(=NN[C@@H](C)COC)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358686 1173372406 /nfs/dbraw/zinc/37/24/06/1173372406.db2.gz CEBHQIIBQMTDMS-JTQLQIEISA-N -1 3 288.355 1.605 20 30 CDEDHM CCC(=NNCCCOC)c1cccc(-c2nnn[n-]2)c1 ZINC001590359433 1173373985 /nfs/dbraw/zinc/37/39/85/1173373985.db2.gz ZLIBGPMSERMTQL-UHFFFAOYSA-N -1 3 288.355 1.607 20 30 CDEDHM CCC(=NNCCCOC)c1cccc(-c2nn[n-]n2)c1 ZINC001590359433 1173373997 /nfs/dbraw/zinc/37/39/97/1173373997.db2.gz ZLIBGPMSERMTQL-UHFFFAOYSA-N -1 3 288.355 1.607 20 30 CDEDHM CC[C@H](C#N)C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590367367 1173375582 /nfs/dbraw/zinc/37/55/82/1173375582.db2.gz OKUPRUHFDKCGTI-GHMZBOCLSA-N -1 3 298.350 1.936 20 30 CDEDHM CC[C@H](C#N)C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590367367 1173375589 /nfs/dbraw/zinc/37/55/89/1173375589.db2.gz OKUPRUHFDKCGTI-GHMZBOCLSA-N -1 3 298.350 1.936 20 30 CDEDHM CC[C@H](C#N)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590367338 1173377967 /nfs/dbraw/zinc/37/79/67/1173377967.db2.gz MZCMLSKTNIQPOU-VHSXEESVSA-N -1 3 284.323 1.594 20 30 CDEDHM CC[C@H](C#N)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590367338 1173377975 /nfs/dbraw/zinc/37/79/75/1173377975.db2.gz MZCMLSKTNIQPOU-VHSXEESVSA-N -1 3 284.323 1.594 20 30 CDEDHM CCc1nnc(NCCC#N)c(-c2nnn[n-]2)c1CC ZINC001590932407 1173546283 /nfs/dbraw/zinc/54/62/83/1173546283.db2.gz NEHWSYRFCNCDOH-UHFFFAOYSA-N -1 3 272.316 1.107 20 30 CDEDHM CCc1nnc(NCCC#N)c(-c2nn[n-]n2)c1CC ZINC001590932407 1173546290 /nfs/dbraw/zinc/54/62/90/1173546290.db2.gz NEHWSYRFCNCDOH-UHFFFAOYSA-N -1 3 272.316 1.107 20 30 CDEDHM CN(CC1=CCCOC1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591050371 1173564634 /nfs/dbraw/zinc/56/46/34/1173564634.db2.gz ILAOSTNZMTZESA-UHFFFAOYSA-N -1 3 296.334 1.521 20 30 CDEDHM CN(CC1=CCCOC1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591050371 1173564641 /nfs/dbraw/zinc/56/46/41/1173564641.db2.gz ILAOSTNZMTZESA-UHFFFAOYSA-N -1 3 296.334 1.521 20 30 CDEDHM CN(Cc1cc(-c2nnn[n-]2)ccn1)[C@H]1CCC[C@H]1C#N ZINC001591125810 1173575844 /nfs/dbraw/zinc/57/58/44/1173575844.db2.gz WECUTESMAXVZRM-AAEUAGOBSA-N -1 3 283.339 1.386 20 30 CDEDHM CN(Cc1cc(-c2nn[n-]n2)ccn1)[C@H]1CCC[C@H]1C#N ZINC001591125810 1173575848 /nfs/dbraw/zinc/57/58/48/1173575848.db2.gz WECUTESMAXVZRM-AAEUAGOBSA-N -1 3 283.339 1.386 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)CC2(C#N)CC2)n1 ZINC001591857612 1173719254 /nfs/dbraw/zinc/71/92/54/1173719254.db2.gz OUZBJQXPOPQRMB-UHFFFAOYSA-N -1 3 283.295 1.203 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)CC2(C#N)CC2)n1 ZINC001591857612 1173719259 /nfs/dbraw/zinc/71/92/59/1173719259.db2.gz OUZBJQXPOPQRMB-UHFFFAOYSA-N -1 3 283.295 1.203 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1cc(C#N)cnn1 ZINC001591869780 1173730809 /nfs/dbraw/zinc/73/08/09/1173730809.db2.gz KPYNDZQTSAGLNO-UHFFFAOYSA-N -1 3 279.263 1.629 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N[C@](C)(C#N)C(C)C ZINC001591877159 1173733214 /nfs/dbraw/zinc/73/32/14/1173733214.db2.gz FEQFFXCURDRHEQ-CQSZACIVSA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N[C@](C)(C#N)C(C)C ZINC001591877159 1173733219 /nfs/dbraw/zinc/73/32/19/1173733219.db2.gz FEQFFXCURDRHEQ-CQSZACIVSA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CC[C@](F)(C#N)C2)n1 ZINC001591939911 1173750147 /nfs/dbraw/zinc/75/01/47/1173750147.db2.gz MSWXVKSDYGGJCC-ZDUSSCGKSA-N -1 3 287.302 1.321 20 30 CDEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CC[C@](F)(C#N)C2)n1 ZINC001591939911 1173750159 /nfs/dbraw/zinc/75/01/59/1173750159.db2.gz MSWXVKSDYGGJCC-ZDUSSCGKSA-N -1 3 287.302 1.321 20 30 CDEDHM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001592668157 1173959551 /nfs/dbraw/zinc/95/95/51/1173959551.db2.gz 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251.242 1.419 20 30 CDEDHM C=CCCO[N-]C(=O)Cc1cccc(OCCOC)c1 ZINC000856033361 726014862 /nfs/dbraw/zinc/01/48/62/726014862.db2.gz DMJZBHWJVCUMGC-UHFFFAOYSA-N -1 3 279.336 1.878 20 30 CDEDHM C[C@@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1cccs1 ZINC000816753585 726016045 /nfs/dbraw/zinc/01/60/45/726016045.db2.gz LMWJCMPCUQTLOA-RKDXNWHRSA-N -1 3 268.338 1.348 20 30 CDEDHM O=C(CC/C=C/c1ccccc1)N[C@@H]1CCCN([O-])C1=O ZINC000816756116 726020528 /nfs/dbraw/zinc/02/05/28/726020528.db2.gz QGKIGPZKGILJQA-CEOUIICOSA-N -1 3 288.347 1.976 20 30 CDEDHM C[C@@H]1CCCCN1N=C1c2ccc([O-])cc2NC1=O ZINC000853380920 726028260 /nfs/dbraw/zinc/02/82/60/726028260.db2.gz TZAKNXXMQLZFNE-SECBINFHSA-N -1 3 259.309 1.923 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(F)c(F)c(F)c1 ZINC000820470751 726103026 /nfs/dbraw/zinc/10/30/26/726103026.db2.gz FKXBYXBMVKOOAD-VIFPVBQESA-N -1 3 288.225 1.214 20 30 CDEDHM C=CCN1CCCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001034169068 726144055 /nfs/dbraw/zinc/14/40/55/726144055.db2.gz 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ZINC001602899253 1175445893 /nfs/dbraw/zinc/44/58/93/1175445893.db2.gz WWRBGPMHOWEOGX-UHFFFAOYSA-N -1 3 276.683 1.700 20 30 CDEDHM C=CCN1CCN(CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)C1=O ZINC001602901274 1175447587 /nfs/dbraw/zinc/44/75/87/1175447587.db2.gz DXHMYGLFAZPKJZ-WFASDCNBSA-N -1 3 293.367 1.054 20 30 CDEDHM CCN(C[C@H](C)C#N)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604274585 1163139733 /nfs/dbraw/zinc/13/97/33/1163139733.db2.gz QLZMVQHNFOUNHD-LLVKDONJSA-N -1 3 298.350 1.417 20 30 CDEDHM CCN(C[C@H](C)C#N)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604274585 1163139736 /nfs/dbraw/zinc/13/97/36/1163139736.db2.gz QLZMVQHNFOUNHD-LLVKDONJSA-N -1 3 298.350 1.417 20 30 CDEDHM CN(CCC#N)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604735917 1163301974 /nfs/dbraw/zinc/30/19/74/1163301974.db2.gz JLVIJRRHNBWVAD-UHFFFAOYSA-N -1 3 287.283 1.120 20 30 CDEDHM CN(CCC#N)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604735917 1163301978 /nfs/dbraw/zinc/30/19/78/1163301978.db2.gz JLVIJRRHNBWVAD-UHFFFAOYSA-N -1 3 287.283 1.120 20 30 CDEDHM C[C@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001605442695 1163564675 /nfs/dbraw/zinc/56/46/75/1163564675.db2.gz LOXZOHIYBSLPNZ-JTQLQIEISA-N -1 3 268.324 1.975 20 30 CDEDHM Cc1c(C(=O)O[C@H](C)CC#N)cccc1-c1nnn[n-]1 ZINC001605486759 1163583117 /nfs/dbraw/zinc/58/31/17/1163583117.db2.gz XCHIQGQSIUXFIU-MRVPVSSYSA-N -1 3 271.280 1.634 20 30 CDEDHM Cc1c(C(=O)O[C@H](C)CC#N)cccc1-c1nn[n-]n1 ZINC001605486759 1163583119 /nfs/dbraw/zinc/58/31/19/1163583119.db2.gz XCHIQGQSIUXFIU-MRVPVSSYSA-N -1 3 271.280 1.634 20 30 CDEDHM Cc1cc(N(C)[C@@H](C)CC#N)ncc1-c1nnn[n-]1 ZINC001605683534 1163643093 /nfs/dbraw/zinc/64/30/93/1163643093.db2.gz LFAGAQVGGAYPSC-VIFPVBQESA-N -1 3 257.301 1.309 20 30 CDEDHM Cc1cc(N(C)[C@@H](C)CC#N)ncc1-c1nn[n-]n1 ZINC001605683534 1163643099 /nfs/dbraw/zinc/64/30/99/1163643099.db2.gz LFAGAQVGGAYPSC-VIFPVBQESA-N -1 3 257.301 1.309 20 30 CDEDHM Cc1ccc(C(=O)NCC2(CC#N)CC2)cc1-c1nnn[n-]1 ZINC001605816468 1163678869 /nfs/dbraw/zinc/67/88/69/1163678869.db2.gz 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ZINC001609273586 1164876186 /nfs/dbraw/zinc/87/61/86/1164876186.db2.gz RNSKUTGAZKSIPP-UHFFFAOYSA-N -1 3 298.350 1.480 20 30 CDEDHM N#CCCCCNC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609494676 1164974763 /nfs/dbraw/zinc/97/47/63/1164974763.db2.gz KDVWIBTYJZDSQA-UHFFFAOYSA-N -1 3 288.286 1.429 20 30 CDEDHM N#CCCCCNC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609494676 1164974767 /nfs/dbraw/zinc/97/47/67/1164974767.db2.gz KDVWIBTYJZDSQA-UHFFFAOYSA-N -1 3 288.286 1.429 20 30 CDEDHM Cc1[nH]nc([N-]C(=O)c2cc(-c3ccn(C)n3)on2)c1C#N ZINC001645596324 1167433034 /nfs/dbraw/zinc/43/30/34/1167433034.db2.gz ZFDGEJMXRNJQBO-UHFFFAOYSA-N -1 3 297.278 1.231 20 30 CDEDHM N#Cc1ccc(N2Cc3cccc(-c4nnn[n-]4)c3C2)nc1 ZINC001581873101 1172627251 /nfs/dbraw/zinc/62/72/51/1172627251.db2.gz QMBKDUCDXWYYPA-UHFFFAOYSA-N -1 3 289.302 1.654 20 30 CDEDHM N#Cc1ccc(N2Cc3cccc(-c4nn[n-]n4)c3C2)nc1 ZINC001581873101 1172627254 /nfs/dbraw/zinc/62/72/54/1172627254.db2.gz QMBKDUCDXWYYPA-UHFFFAOYSA-N -1 3 289.302 1.654 20 30 CDEDHM C=CCN(CCC#N)c1cc(-c2nnn[n-]2)cc(C)n1 ZINC001588632732 1172874174 /nfs/dbraw/zinc/87/41/74/1172874174.db2.gz ZLYNWCJWHUIKGB-UHFFFAOYSA-N -1 3 269.312 1.476 20 30 CDEDHM C=CCN(CCC#N)c1cc(-c2nn[n-]n2)cc(C)n1 ZINC001588632732 1172874182 /nfs/dbraw/zinc/87/41/82/1172874182.db2.gz ZLYNWCJWHUIKGB-UHFFFAOYSA-N -1 3 269.312 1.476 20 30 CDEDHM C#C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588330034 1173029872 /nfs/dbraw/zinc/02/98/72/1173029872.db2.gz TVZZHCMYLFINAI-ZDUSSCGKSA-N -1 3 297.362 1.573 20 30 CDEDHM C#C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588330034 1173029876 /nfs/dbraw/zinc/02/98/76/1173029876.db2.gz TVZZHCMYLFINAI-ZDUSSCGKSA-N -1 3 297.362 1.573 20 30 CDEDHM C#C[C@H](Nc1cc(C)c(-c2nnn[n-]2)cn1)C(C)C ZINC001588328592 1173032232 /nfs/dbraw/zinc/03/22/32/1173032232.db2.gz LLJBLHYJWYMXHF-NSHDSACASA-N -1 3 256.313 1.640 20 30 CDEDHM C#C[C@H](Nc1cc(C)c(-c2nn[n-]n2)cn1)C(C)C ZINC001588328592 1173032240 /nfs/dbraw/zinc/03/22/40/1173032240.db2.gz LLJBLHYJWYMXHF-NSHDSACASA-N -1 3 256.313 1.640 20 30 CDEDHM C#C[C@H]1COCCN1c1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588330965 1173034064 /nfs/dbraw/zinc/03/40/64/1173034064.db2.gz MOYBKURSTZYWKM-JTQLQIEISA-N -1 3 287.298 1.153 20 30 CDEDHM C#C[C@H]1COCCN1c1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588330965 1173034070 /nfs/dbraw/zinc/03/40/70/1173034070.db2.gz MOYBKURSTZYWKM-JTQLQIEISA-N -1 3 287.298 1.153 20 30 CDEDHM C#CCCCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588345874 1173043586 /nfs/dbraw/zinc/04/35/86/1173043586.db2.gz OKXIWRVEIGGBHV-UHFFFAOYSA-N -1 3 287.283 1.385 20 30 CDEDHM C#CCCCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588345874 1173043590 /nfs/dbraw/zinc/04/35/90/1173043590.db2.gz OKXIWRVEIGGBHV-UHFFFAOYSA-N -1 3 287.283 1.385 20 30 CDEDHM C#CC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC001588337471 1173043707 /nfs/dbraw/zinc/04/37/07/1173043707.db2.gz QBZJIXANPOQXPV-VIFPVBQESA-N -1 3 287.348 1.414 20 30 CDEDHM C#CC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC001588337471 1173043714 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C=CC(C)(C)C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588476490 1173069325 /nfs/dbraw/zinc/06/93/25/1173069325.db2.gz XJRLNSXHHHULNZ-UHFFFAOYSA-N -1 3 283.335 1.921 20 30 CDEDHM C=C[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588515429 1173070993 /nfs/dbraw/zinc/07/09/93/1173070993.db2.gz CJRNIAVZHOPGHY-MRVPVSSYSA-N -1 3 288.311 1.571 20 30 CDEDHM C=C[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588515429 1173070997 /nfs/dbraw/zinc/07/09/97/1173070997.db2.gz CJRNIAVZHOPGHY-MRVPVSSYSA-N -1 3 288.311 1.571 20 30 CDEDHM C=C[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001588515909 1173071503 /nfs/dbraw/zinc/07/15/03/1173071503.db2.gz KQLIITJXKAEDIZ-DTWKUNHWSA-N -1 3 259.313 1.797 20 30 CDEDHM C=CC1CCN(C(=O)c2cnccc2-c2nnn[n-]2)CC1 ZINC001588527305 1173074428 /nfs/dbraw/zinc/07/44/28/1173074428.db2.gz GSCIUECTADSZII-UHFFFAOYSA-N -1 3 284.323 1.300 20 30 CDEDHM C=CC1CCN(C(=O)c2cnccc2-c2nn[n-]n2)CC1 ZINC001588527305 1173074433 /nfs/dbraw/zinc/07/44/33/1173074433.db2.gz GSCIUECTADSZII-UHFFFAOYSA-N -1 3 284.323 1.300 20 30 CDEDHM C=CC[C@@H](CO)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588545335 1173080986 /nfs/dbraw/zinc/08/09/86/1173080986.db2.gz FOTOQKIOIKZYKB-VIFPVBQESA-N -1 3 263.276 1.355 20 30 CDEDHM C=CC[C@@H](CO)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588545335 1173080988 /nfs/dbraw/zinc/08/09/88/1173080988.db2.gz FOTOQKIOIKZYKB-VIFPVBQESA-N -1 3 263.276 1.355 20 30 CDEDHM C=CCC[C@H](CO)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588579732 1173083871 /nfs/dbraw/zinc/08/38/71/1173083871.db2.gz RWHDTGKZECJUGD-SNVBAGLBSA-N -1 3 274.328 1.309 20 30 CDEDHM C=CCC[C@H](CO)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588579732 1173083879 /nfs/dbraw/zinc/08/38/79/1173083879.db2.gz RWHDTGKZECJUGD-SNVBAGLBSA-N -1 3 274.328 1.309 20 30 CDEDHM C=CCN(C)[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001588625905 1173090285 /nfs/dbraw/zinc/09/02/85/1173090285.db2.gz AXUKLCRHNCYQRV-JTQLQIEISA-N -1 3 286.339 1.312 20 30 CDEDHM C=CCN(C)[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001588625905 1173090288 /nfs/dbraw/zinc/09/02/88/1173090288.db2.gz AXUKLCRHNCYQRV-JTQLQIEISA-N -1 3 286.339 1.312 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588719174 1173098524 /nfs/dbraw/zinc/09/85/24/1173098524.db2.gz YPFXXPHUDOIERP-PWSUYJOCSA-N -1 3 272.312 1.407 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588719174 1173098531 /nfs/dbraw/zinc/09/85/31/1173098531.db2.gz YPFXXPHUDOIERP-PWSUYJOCSA-N -1 3 272.312 1.407 20 30 CDEDHM CC(=O)C(C)=NOCc1ccccc1-c1nnn[n-]1 ZINC001588782698 1173104807 /nfs/dbraw/zinc/10/48/07/1173104807.db2.gz VETBVJNHSWPUSK-UHFFFAOYSA-N -1 3 259.269 1.348 20 30 CDEDHM CC(=O)C(C)=NOCc1ccccc1-c1nn[n-]n1 ZINC001588782698 1173104808 /nfs/dbraw/zinc/10/48/08/1173104808.db2.gz VETBVJNHSWPUSK-UHFFFAOYSA-N -1 3 259.269 1.348 20 30 CDEDHM C[C@@H](C#N)CN(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588931269 1173115145 /nfs/dbraw/zinc/11/51/45/1173115145.db2.gz WFBULKTUNUSGHN-TVRMLOFPSA-N -1 3 296.334 1.498 20 30 CDEDHM C[C@@H](C#N)CN(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588931269 1173115148 /nfs/dbraw/zinc/11/51/48/1173115148.db2.gz WFBULKTUNUSGHN-TVRMLOFPSA-N -1 3 296.334 1.498 20 30 CDEDHM CC(C)CN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001589614078 1173162388 /nfs/dbraw/zinc/16/23/88/1173162388.db2.gz MIOLWVYSFZWPBI-UHFFFAOYSA-N -1 3 256.313 1.831 20 30 CDEDHM CC(C)CN(C)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001589614078 1173162390 /nfs/dbraw/zinc/16/23/90/1173162390.db2.gz MIOLWVYSFZWPBI-UHFFFAOYSA-N -1 3 256.313 1.831 20 30 CDEDHM C[C@@H](CC#N)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589788435 1173182713 /nfs/dbraw/zinc/18/27/13/1173182713.db2.gz YTGRMXNGQQKUKL-VIFPVBQESA-N -1 3 271.280 1.255 20 30 CDEDHM C[C@@H](CC#N)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589788435 1173182717 /nfs/dbraw/zinc/18/27/17/1173182717.db2.gz YTGRMXNGQQKUKL-VIFPVBQESA-N -1 3 271.280 1.255 20 30 CDEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCCC#N ZINC001590046111 1173237028 /nfs/dbraw/zinc/23/70/28/1173237028.db2.gz YZMXGTGJONZYLI-JTQLQIEISA-N -1 3 299.338 1.483 20 30 CDEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCCC#N ZINC001590046111 1173237035 /nfs/dbraw/zinc/23/70/35/1173237035.db2.gz YZMXGTGJONZYLI-JTQLQIEISA-N -1 3 299.338 1.483 20 30 CDEDHM CC[C@@H](C#N)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001590368141 1173377854 /nfs/dbraw/zinc/37/78/54/1173377854.db2.gz XXTCBYYCOZZALJ-ZDUSSCGKSA-N -1 3 298.350 1.560 20 30 CDEDHM CC[C@@H](C#N)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001590368141 1173377859 /nfs/dbraw/zinc/37/78/59/1173377859.db2.gz XXTCBYYCOZZALJ-ZDUSSCGKSA-N -1 3 298.350 1.560 20 30 CDEDHM CC[C@H](C)NN=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001590413627 1173399621 /nfs/dbraw/zinc/39/96/21/1173399621.db2.gz BKYDBIOFOWNRDO-VIFPVBQESA-N -1 3 285.355 1.690 20 30 CDEDHM CC[C@H](C)NN=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001590413627 1173399624 /nfs/dbraw/zinc/39/96/24/1173399624.db2.gz BKYDBIOFOWNRDO-VIFPVBQESA-N -1 3 285.355 1.690 20 30 CDEDHM CC[C@H](CC#N)NCc1ccc(-c2nn[n-]n2)cc1C ZINC001590419096 1173401564 /nfs/dbraw/zinc/40/15/64/1173401564.db2.gz CLRZJWMQICBOCE-CYBMUJFWSA-N -1 3 270.340 1.957 20 30 CDEDHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@H](C)C#N ZINC001590674777 1173485913 /nfs/dbraw/zinc/48/59/13/1173485913.db2.gz XVYYFZZHTKZXEJ-SNVBAGLBSA-N -1 3 284.323 1.549 20 30 CDEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@H](C)C#N ZINC001590674777 1173485917 /nfs/dbraw/zinc/48/59/17/1173485917.db2.gz XVYYFZZHTKZXEJ-SNVBAGLBSA-N -1 3 284.323 1.549 20 30 CDEDHM CN(C(=O)CCCCC#N)c1ccccc1-c1nnn[n-]1 ZINC001590981071 1173556562 /nfs/dbraw/zinc/55/65/62/1173556562.db2.gz BYSSCUPUORFGMX-UHFFFAOYSA-N -1 3 284.323 1.913 20 30 CDEDHM CN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC[C@@H]1C#N ZINC001590993852 1173557508 /nfs/dbraw/zinc/55/75/08/1173557508.db2.gz SAGXEFBYXZNJIF-CHWSQXEVSA-N -1 3 296.334 1.631 20 30 CDEDHM CN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[C@@H]1C#N ZINC001590993852 1173557514 /nfs/dbraw/zinc/55/75/14/1173557514.db2.gz SAGXEFBYXZNJIF-CHWSQXEVSA-N -1 3 296.334 1.631 20 30 CDEDHM Cc1cc(C=NN[C@H]2CCSC2)ccc1-c1nnn[n-]1 ZINC001591958504 1173756129 /nfs/dbraw/zinc/75/61/29/1173756129.db2.gz HQBKRDJZUGKDCO-NSHDSACASA-N -1 3 288.380 1.604 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccc(C#N)cc1 ZINC001592341280 1173861150 /nfs/dbraw/zinc/86/11/50/1173861150.db2.gz VJERQTMKTUZTMY-UHFFFAOYSA-N -1 3 290.290 1.163 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccc(C#N)cc1 ZINC001592341280 1173861156 /nfs/dbraw/zinc/86/11/56/1173861156.db2.gz VJERQTMKTUZTMY-UHFFFAOYSA-N -1 3 290.290 1.163 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@@H]1CCC(F)(F)C1 ZINC001592340938 1173861730 /nfs/dbraw/zinc/86/17/30/1173861730.db2.gz MINNDBHJNLEKBB-MRVPVSSYSA-N -1 3 293.281 1.679 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@@H]1CCC(F)(F)C1 ZINC001592340938 1173861732 /nfs/dbraw/zinc/86/17/32/1173861732.db2.gz MINNDBHJNLEKBB-MRVPVSSYSA-N -1 3 293.281 1.679 20 30 CDEDHM Cc1nccc(C=NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC001592416159 1173884067 /nfs/dbraw/zinc/88/40/67/1173884067.db2.gz YFJFWYHKCACCMK-UHFFFAOYSA-N -1 3 280.295 1.411 20 30 CDEDHM Cc1nccc(C=NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC001592416159 1173884072 /nfs/dbraw/zinc/88/40/72/1173884072.db2.gz YFJFWYHKCACCMK-UHFFFAOYSA-N -1 3 280.295 1.411 20 30 CDEDHM N#CC1(CC(=O)OCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001592666119 1173960194 /nfs/dbraw/zinc/96/01/94/1173960194.db2.gz ASOVBPYVUGBFKF-UHFFFAOYSA-N -1 3 283.291 1.604 20 30 CDEDHM N#CC1(CC(=O)OCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001592666119 1173960200 /nfs/dbraw/zinc/96/02/00/1173960200.db2.gz ASOVBPYVUGBFKF-UHFFFAOYSA-N -1 3 283.291 1.604 20 30 CDEDHM N#CC1(CNCc2cccc(-c3nnn[n-]3)n2)CCCCC1 ZINC001592668893 1173960603 /nfs/dbraw/zinc/96/06/03/1173960603.db2.gz BIMLTNAWPZQPNG-UHFFFAOYSA-N -1 3 297.366 1.825 20 30 CDEDHM N#CC1(CNCc2cccc(-c3nn[n-]n3)n2)CCCCC1 ZINC001592668893 1173960607 /nfs/dbraw/zinc/96/06/07/1173960607.db2.gz BIMLTNAWPZQPNG-UHFFFAOYSA-N -1 3 297.366 1.825 20 30 CDEDHM C#C[C@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)C(C)C ZINC001602688405 1175352220 /nfs/dbraw/zinc/35/22/20/1175352220.db2.gz JIAQPKRXGGLAPF-ZDUSSCGKSA-N -1 3 297.362 1.871 20 30 CDEDHM C#C[C@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)C(C)C ZINC001602688405 1175352226 /nfs/dbraw/zinc/35/22/26/1175352226.db2.gz JIAQPKRXGGLAPF-ZDUSSCGKSA-N -1 3 297.362 1.871 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001602690461 1175353429 /nfs/dbraw/zinc/35/34/29/1175353429.db2.gz VYTGVGPTHMNDIW-GFCCVEGCSA-N -1 3 283.335 1.625 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001602690461 1175353436 /nfs/dbraw/zinc/35/34/36/1175353436.db2.gz VYTGVGPTHMNDIW-GFCCVEGCSA-N -1 3 283.335 1.625 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602690412 1175355765 /nfs/dbraw/zinc/35/57/65/1175355765.db2.gz VFDGLOSWXFYKTJ-LLVKDONJSA-N -1 3 298.350 1.338 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602690412 1175355770 /nfs/dbraw/zinc/35/57/70/1175355770.db2.gz VFDGLOSWXFYKTJ-LLVKDONJSA-N -1 3 298.350 1.338 20 30 CDEDHM C#CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)[O-] ZINC001602694524 1175358959 /nfs/dbraw/zinc/35/89/59/1175358959.db2.gz NSJNGVXNLYKOGT-JTQLQIEISA-N -1 3 283.711 1.620 20 30 CDEDHM C#CC[C@@H](NCc1cccc(OC)c1OC(F)F)C(=O)[O-] ZINC001602694645 1175359090 /nfs/dbraw/zinc/35/90/90/1175359090.db2.gz OZJHEAUUKWKFGA-SNVBAGLBSA-N -1 3 299.273 1.863 20 30 CDEDHM C#CCC1(NCc2cc(C)c(C(=O)[O-])o2)CCOCC1 ZINC001602700373 1175365026 /nfs/dbraw/zinc/36/50/26/1175365026.db2.gz WPZPFXVJSXQETE-UHFFFAOYSA-N -1 3 277.320 1.948 20 30 CDEDHM C#CCCN1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602712709 1175368970 /nfs/dbraw/zinc/36/89/70/1175368970.db2.gz QHQXYSRADQSYHJ-AWEZNQCLSA-N -1 3 283.335 1.263 20 30 CDEDHM C#CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001602716734 1175371692 /nfs/dbraw/zinc/37/16/92/1175371692.db2.gz NSQBZRWQOKZNQU-UHFFFAOYSA-N -1 3 267.292 1.105 20 30 CDEDHM C#CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001602716734 1175371697 /nfs/dbraw/zinc/37/16/97/1175371697.db2.gz NSQBZRWQOKZNQU-UHFFFAOYSA-N -1 3 267.292 1.105 20 30 CDEDHM C(=NN[C@@H]1CCCSC1)c1csc(-c2nnn[n-]2)c1 ZINC001602745760 1175381714 /nfs/dbraw/zinc/38/17/14/1175381714.db2.gz RSQQGKIGFCGSKK-SECBINFHSA-N -1 3 294.409 1.747 20 30 CDEDHM C=C[C@](C)(O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001602793771 1175403667 /nfs/dbraw/zinc/40/36/67/1175403667.db2.gz OQPWLIUGEGCRIW-AWEZNQCLSA-N -1 3 287.323 1.441 20 30 CDEDHM C=C[C@](C)(O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001602793771 1175403672 /nfs/dbraw/zinc/40/36/72/1175403672.db2.gz OQPWLIUGEGCRIW-AWEZNQCLSA-N -1 3 287.323 1.441 20 30 CDEDHM C=CCC1(C(=O)NCc2cncc(-c3nnn[n-]3)c2)CCC1 ZINC001602817845 1175416444 /nfs/dbraw/zinc/41/64/44/1175416444.db2.gz RYDGQNYGIICWDK-UHFFFAOYSA-N -1 3 298.350 1.624 20 30 CDEDHM C=CCC1(C(=O)NCc2cncc(-c3nn[n-]n3)c2)CCC1 ZINC001602817845 1175416449 /nfs/dbraw/zinc/41/64/49/1175416449.db2.gz RYDGQNYGIICWDK-UHFFFAOYSA-N -1 3 298.350 1.624 20 30 CDEDHM C=C[C@H](CO)NCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001602945626 1175455247 /nfs/dbraw/zinc/45/52/47/1175455247.db2.gz ZCXFMPFFFBZYBW-OQHXTRMZSA-N -1 3 277.320 1.300 20 30 CDEDHM C[C@@H](C#N)COC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602987986 1175473362 /nfs/dbraw/zinc/47/33/62/1175473362.db2.gz AAYCYVIYSAUSMJ-JTQLQIEISA-N -1 3 297.318 1.601 20 30 CDEDHM C[C@@H](C#N)COC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602987986 1175473366 /nfs/dbraw/zinc/47/33/66/1175473366.db2.gz AAYCYVIYSAUSMJ-JTQLQIEISA-N -1 3 297.318 1.601 20 30 CDEDHM C[C@@H](C#N)OCCN1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001603131591 1175497426 /nfs/dbraw/zinc/49/74/26/1175497426.db2.gz HZXNTYGXXLFFHB-LPEHRKFASA-N -1 3 294.273 1.500 20 30 CDEDHM CC(C)(CCC#N)CNc1cc(-c2nnn[n-]2)cnn1 ZINC001603139704 1175498625 /nfs/dbraw/zinc/49/86/25/1175498625.db2.gz WXIAIFPYUKSLRB-UHFFFAOYSA-N -1 3 272.316 1.399 20 30 CDEDHM CC(C)(CCC#N)CNc1cc(-c2nn[n-]n2)cnn1 ZINC001603139704 1175498628 /nfs/dbraw/zinc/49/86/28/1175498628.db2.gz WXIAIFPYUKSLRB-UHFFFAOYSA-N -1 3 272.316 1.399 20 30 CDEDHM CC(C)(CC#N)COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603135336 1175499372 /nfs/dbraw/zinc/49/93/72/1175499372.db2.gz MAXLEVYJSVKGPD-UHFFFAOYSA-N -1 3 299.334 1.892 20 30 CDEDHM CC(C)(CC#N)COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603135336 1175499376 /nfs/dbraw/zinc/49/93/76/1175499376.db2.gz MAXLEVYJSVKGPD-UHFFFAOYSA-N -1 3 299.334 1.892 20 30 CDEDHM CC(C)(C)N1CC[C@H]1CNc1ccc(C(=O)[O-])nc1C#N ZINC001603345088 1175544408 /nfs/dbraw/zinc/54/44/08/1175544408.db2.gz BBKOFQIQAYBVHX-JTQLQIEISA-N -1 3 288.351 1.936 20 30 CDEDHM C[C@@H]1C[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)[C@@H](C)O1 ZINC001603860280 1175658393 /nfs/dbraw/zinc/65/83/93/1175658393.db2.gz AMYKAEGYQZKMBX-KBVBSXBZSA-N -1 3 284.323 1.716 20 30 CDEDHM C[C@@H]1C[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)[C@@H](C)O1 ZINC001603860280 1175658397 /nfs/dbraw/zinc/65/83/97/1175658397.db2.gz AMYKAEGYQZKMBX-KBVBSXBZSA-N -1 3 284.323 1.716 20 30 CDEDHM CC[C@H](C#N)N(CC)C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001603978036 1175704196 /nfs/dbraw/zinc/70/41/96/1175704196.db2.gz PNMULPGPXSACPU-SNVBAGLBSA-N -1 3 299.338 1.334 20 30 CDEDHM CC[C@H](C#N)N(CC)C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001603978036 1175704201 /nfs/dbraw/zinc/70/42/01/1175704201.db2.gz PNMULPGPXSACPU-SNVBAGLBSA-N -1 3 299.338 1.334 20 30 CDEDHM CC[C@H](CC#N)OC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001604013528 1175718540 /nfs/dbraw/zinc/71/85/40/1175718540.db2.gz LCCWUJAQCSGJSD-MRVPVSSYSA-N -1 3 274.284 1.054 20 30 CDEDHM CC[C@H](CC#N)OC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001604013528 1175718547 /nfs/dbraw/zinc/71/85/47/1175718547.db2.gz LCCWUJAQCSGJSD-MRVPVSSYSA-N -1 3 274.284 1.054 20 30 CDEDHM CC[C@H](F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001604045501 1175731547 /nfs/dbraw/zinc/73/15/47/1175731547.db2.gz KFKZTKIPZRPHOQ-JTQLQIEISA-N -1 3 274.259 1.425 20 30 CDEDHM CC[C@H](F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001604045501 1175731554 /nfs/dbraw/zinc/73/15/54/1175731554.db2.gz KFKZTKIPZRPHOQ-JTQLQIEISA-N -1 3 274.259 1.425 20 30 CDEDHM Cn1ccc2c1cccc2C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848139557 728760841 /nfs/dbraw/zinc/76/08/41/728760841.db2.gz YLAOWJLFGPXGDX-LBPRGKRZSA-N -1 3 287.319 1.288 20 30 CDEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CC[C@H](C)O2)c1[O-] ZINC000840710027 728756779 /nfs/dbraw/zinc/75/67/79/728756779.db2.gz NRNFKIHREJSZQJ-GEJXAPEDSA-N -1 3 264.325 1.574 20 30 CDEDHM O=C(CCCC(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000848136274 728840723 /nfs/dbraw/zinc/84/07/23/728840723.db2.gz VFSUPIMZJRYRBI-ZETCQYMHSA-N -1 3 268.235 1.215 20 30 CDEDHM C[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])CN1CC#N ZINC001071356546 728876890 /nfs/dbraw/zinc/87/68/90/728876890.db2.gz NEEKSYKYHZTXPR-VXGBXAGGSA-N -1 3 273.336 1.498 20 30 CDEDHM Cc1ccc(Cn2cnc(C#N)c2-c2nnn[n-]2)cc1 ZINC000826288938 728886235 /nfs/dbraw/zinc/88/62/35/728886235.db2.gz CLFXNBMLEBMAFJ-UHFFFAOYSA-N -1 3 265.280 1.292 20 30 CDEDHM CCc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)ccc1O ZINC000848133506 728887369 /nfs/dbraw/zinc/88/73/69/728887369.db2.gz ZXVVWKJSMIKOBV-NSHDSACASA-N -1 3 278.308 1.065 20 30 CDEDHM COc1cccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000866108002 728889988 /nfs/dbraw/zinc/88/99/88/728889988.db2.gz LUJWRIMJILMHSE-LLVKDONJSA-N -1 3 279.296 1.197 20 30 CDEDHM Cc1nc2c(c(=O)[n-]1)CN(CCOc1cccc(C#N)c1)C2 ZINC000931320371 728893604 /nfs/dbraw/zinc/89/36/04/728893604.db2.gz FKVSSSCOLVOABZ-UHFFFAOYSA-N -1 3 296.330 1.757 20 30 CDEDHM COc1c([O-])ccc(C=NOCC(F)F)c1[N+](=O)[O-] ZINC000834968319 728896160 /nfs/dbraw/zinc/89/61/60/728896160.db2.gz IECFZZZAINKEPR-UHFFFAOYSA-N -1 3 276.195 1.925 20 30 CDEDHM CCC[C@@H](C(=O)N[C@@H]1CCCN([O-])C1=O)C(C)C ZINC000816755770 728400569 /nfs/dbraw/zinc/40/05/69/728400569.db2.gz JAPGKGGUQALDLI-GHMZBOCLSA-N -1 3 256.346 1.555 20 30 CDEDHM Cc1ncc(CO)c(C=NNCCC(F)(F)F)c1[O-] ZINC000794547202 728438168 /nfs/dbraw/zinc/43/81/68/728438168.db2.gz FZBVUHYBXRVZDN-UHFFFAOYSA-N -1 3 277.246 1.464 20 30 CDEDHM C=C[C@@H](C)ONC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000846546729 728514119 /nfs/dbraw/zinc/51/41/19/728514119.db2.gz 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CDEDHM CCOC(=O)[C@H]1CCC[C@H]1Oc1nccc(/C=N/[O-])n1 ZINC001226254082 941975061 /nfs/dbraw/zinc/97/50/61/941975061.db2.gz QNWOWKKOELKWAR-SLDKGUOFSA-N -1 3 279.296 1.395 20 30 CDEDHM [O-]/N=C/c1ccnc(OC2CCN(CCF)CC2)n1 ZINC001226253192 941975578 /nfs/dbraw/zinc/97/55/78/941975578.db2.gz FYRNGYFARMWPBT-OQLLNIDSSA-N -1 3 268.292 1.097 20 30 CDEDHM CC[C@@H](C#CC(=O)OC)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226334901 941989694 /nfs/dbraw/zinc/98/96/94/941989694.db2.gz AEQDHOLTHKSDBD-VIFPVBQESA-N -1 3 279.248 1.634 20 30 CDEDHM N#C[C@@H](Oc1[n-]c(=O)nc2nccnc21)c1cccc(F)c1 ZINC001226994595 942111320 /nfs/dbraw/zinc/11/13/20/942111320.db2.gz FCGLVFLOLLPAPT-SNVBAGLBSA-N -1 3 297.249 1.908 20 30 CDEDHM C=C1O[C@@H](CC)C(=O)C1Oc1[n-]c(=O)nc2c1CO[C@H]2C ZINC001227717093 942212921 /nfs/dbraw/zinc/21/29/21/942212921.db2.gz XDUXESPRBAZINN-RCOVLWMOSA-N -1 3 292.291 1.762 20 30 CDEDHM C=C[C@@H]1O[C@@H](Oc2nccc(=S)[n-]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228128869 942272375 /nfs/dbraw/zinc/27/23/75/942272375.db2.gz 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ZINC001331998378 957391290 /nfs/dbraw/zinc/39/12/90/957391290.db2.gz NOUCAPUIOFGTID-LBPRGKRZSA-N -1 3 295.310 1.799 20 30 CDEDHM C=CC[C@@H](NCc1ccncc1Br)C(=O)[O-] ZINC001334017243 958747784 /nfs/dbraw/zinc/74/77/84/958747784.db2.gz ULZABDSSXVUBGD-SNVBAGLBSA-N -1 3 285.141 1.963 20 30 CDEDHM C=CC[C@H](NC(=O)[C@H]1CCCN1CCC)C(=O)[O-] ZINC001334185345 958914345 /nfs/dbraw/zinc/91/43/45/958914345.db2.gz BHTUMKQMLIYFNS-WDEREUQCSA-N -1 3 254.330 1.006 20 30 CDEDHM CC(C)CNN=C1C(=O)[N-]c2c1cc([N+](=O)[O-])cc2F ZINC001320519521 959221111 /nfs/dbraw/zinc/22/11/11/959221111.db2.gz HVYJIVJVSOIRGP-UHFFFAOYSA-N -1 3 280.259 1.636 20 30 CDEDHM C=CCOC[C@@H](NCc1cnc(C2CC2)nc1)C(=O)[O-] ZINC001334777645 959352572 /nfs/dbraw/zinc/35/25/72/959352572.db2.gz SRGZSEPNLMPYDB-GFCCVEGCSA-N -1 3 277.324 1.099 20 30 CDEDHM CC#CC[C@@H](NCc1cccc2c1OCCO2)C(=O)[O-] ZINC001334851929 959409363 /nfs/dbraw/zinc/40/93/63/959409363.db2.gz BISZAEHSTAQOHY-GFCCVEGCSA-N -1 3 275.304 1.414 20 30 CDEDHM 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KKOPKGLIHHSRMI-ZETCQYMHSA-N -1 3 258.705 1.359 20 30 CDEDHM C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCC(=O)[O-] ZINC000817675363 597000304 /nfs/dbraw/zinc/00/03/04/597000304.db2.gz RYGJXEFJJMQLIE-LLVKDONJSA-N -1 3 256.346 1.206 20 30 CDEDHM COc1ccc(CN2CCC(C(=O)[O-])CC2)cc1C#N ZINC000087825051 597366699 /nfs/dbraw/zinc/36/66/99/597366699.db2.gz CNNPXLWHQYKVSW-UHFFFAOYSA-N -1 3 274.320 1.863 20 30 CDEDHM CN(CCC#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821597969 607303093 /nfs/dbraw/zinc/30/30/93/607303093.db2.gz MTWCFXMBLSFSFQ-UHFFFAOYSA-N -1 3 262.704 1.870 20 30 CDEDHM CN(CCC#N)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821597969 607303094 /nfs/dbraw/zinc/30/30/94/607303094.db2.gz MTWCFXMBLSFSFQ-UHFFFAOYSA-N -1 3 262.704 1.870 20 30 CDEDHM C[C@@H](C#N)CNN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000819858155 607325547 /nfs/dbraw/zinc/32/55/47/607325547.db2.gz ZTGZWQMNJOQCSL-ZETCQYMHSA-N -1 3 261.314 1.011 20 30 CDEDHM C[C@H](CC#N)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000820219725 607374030 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ZINC000823845524 607695298 /nfs/dbraw/zinc/69/52/98/607695298.db2.gz VRTPJRCLQIJKRV-UHFFFAOYSA-N -1 3 293.330 1.274 20 30 CDEDHM C#CCCCCC(=O)OCc1cc(-c2nnn[n-]2)ccn1 ZINC001602709382 1175369706 /nfs/dbraw/zinc/36/97/06/1175369706.db2.gz DEBWORUNRQGSFX-UHFFFAOYSA-N -1 3 285.307 1.499 20 30 CDEDHM C#CCCCCC(=O)OCc1cc(-c2nn[n-]n2)ccn1 ZINC001602709382 1175369710 /nfs/dbraw/zinc/36/97/10/1175369710.db2.gz DEBWORUNRQGSFX-UHFFFAOYSA-N -1 3 285.307 1.499 20 30 CDEDHM C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001602760746 1175389956 /nfs/dbraw/zinc/38/99/56/1175389956.db2.gz GLLJSASAQKAZLB-XJFOESAGSA-N -1 3 292.379 1.349 20 30 CDEDHM C[C@H](CC#N)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820219421 606059615 /nfs/dbraw/zinc/05/96/15/606059615.db2.gz GKXZEKIRCYBYPE-SSDOTTSWSA-N -1 3 277.719 1.653 20 30 CDEDHM C[C@H](CC#N)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820219421 606059620 /nfs/dbraw/zinc/05/96/20/606059620.db2.gz GKXZEKIRCYBYPE-SSDOTTSWSA-N -1 3 277.719 1.653 20 30 CDEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822801287 606299967 /nfs/dbraw/zinc/29/99/67/606299967.db2.gz GTVQDJAYJSOJJT-NWDGAFQWSA-N -1 3 282.307 1.289 20 30 CDEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822801287 606299969 /nfs/dbraw/zinc/29/99/69/606299969.db2.gz GTVQDJAYJSOJJT-NWDGAFQWSA-N -1 3 282.307 1.289 20 30 CDEDHM CC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1 ZINC000820578225 606732588 /nfs/dbraw/zinc/73/25/88/606732588.db2.gz YKJRWSFSMIFILD-UHFFFAOYSA-N -1 3 268.280 1.477 20 30 CDEDHM CC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1 ZINC000820578225 606732589 /nfs/dbraw/zinc/73/25/89/606732589.db2.gz YKJRWSFSMIFILD-UHFFFAOYSA-N -1 3 268.280 1.477 20 30 CDEDHM N#Cc1ccc(NC(=O)C2=CCCC2)cc1-c1nnn[n-]1 ZINC000822829837 606733580 /nfs/dbraw/zinc/73/35/80/606733580.db2.gz LLSJUEKNCPDXDY-UHFFFAOYSA-N -1 3 280.291 1.787 20 30 CDEDHM N#Cc1ccc(NC(=O)C2=CCCC2)cc1-c1nn[n-]n1 ZINC000822829837 606733582 /nfs/dbraw/zinc/73/35/82/606733582.db2.gz LLSJUEKNCPDXDY-UHFFFAOYSA-N -1 3 280.291 1.787 20 30 CDEDHM C=C[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819730164 606801944 /nfs/dbraw/zinc/80/19/44/606801944.db2.gz RKFCZMSMIQFMPA-ZETCQYMHSA-N -1 3 260.257 1.761 20 30 CDEDHM C=C[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819730164 606801946 /nfs/dbraw/zinc/80/19/46/606801946.db2.gz RKFCZMSMIQFMPA-ZETCQYMHSA-N -1 3 260.257 1.761 20 30 CDEDHM Cc1cn(Cc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000822383748 607021610 /nfs/dbraw/zinc/02/16/10/607021610.db2.gz AYXCIRWWIVGNFL-UHFFFAOYSA-N -1 3 264.292 1.897 20 30 CDEDHM Cc1cn(Cc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000822383748 607021612 /nfs/dbraw/zinc/02/16/12/607021612.db2.gz AYXCIRWWIVGNFL-UHFFFAOYSA-N -1 3 264.292 1.897 20 30 CDEDHM C=C[C@H](NCc1cccc(OC)c1OC)C(=O)[O-] ZINC001602818844 1175415758 /nfs/dbraw/zinc/41/57/58/1175415758.db2.gz GSEDAYLRLCMQQF-JTQLQIEISA-N -1 3 251.282 1.433 20 30 CDEDHM N#Cc1nc(N)n(CCCC2CCCC2)c1-c1nnn[n-]1 ZINC000822846280 607237810 /nfs/dbraw/zinc/23/78/10/607237810.db2.gz 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/nfs/dbraw/zinc/34/73/05/609347305.db2.gz UCEDHXAPQARFNT-UHFFFAOYSA-N -1 3 271.324 1.823 20 30 CDEDHM N#CCC1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826381100 609385593 /nfs/dbraw/zinc/38/55/93/609385593.db2.gz XIFCIRMGEDQRQF-UHFFFAOYSA-N -1 3 269.312 1.392 20 30 CDEDHM N#CCC1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826381100 609385595 /nfs/dbraw/zinc/38/55/95/609385595.db2.gz XIFCIRMGEDQRQF-UHFFFAOYSA-N -1 3 269.312 1.392 20 30 CDEDHM CC(C)OCCNN=Cc1cccc(-c2nnn[n-]2)c1 ZINC000824315783 609416161 /nfs/dbraw/zinc/41/61/61/609416161.db2.gz YPGPNYJIJJLQBB-UHFFFAOYSA-N -1 3 274.328 1.215 20 30 CDEDHM CC(C)OCCNN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000824315783 609416162 /nfs/dbraw/zinc/41/61/62/609416162.db2.gz YPGPNYJIJJLQBB-UHFFFAOYSA-N -1 3 274.328 1.215 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000890559104 617208135 /nfs/dbraw/zinc/20/81/35/617208135.db2.gz XYEADRIVHDHIHO-JTQLQIEISA-N -1 3 270.288 1.361 20 30 CDEDHM COc1ccc(C(=O)NCC#C[C@H]2CCCCO2)c([O-])c1 ZINC000891129478 617369036 /nfs/dbraw/zinc/36/90/36/617369036.db2.gz DVTAPOAXVKICOG-GFCCVEGCSA-N -1 3 289.331 1.703 20 30 CDEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000846533994 617404988 /nfs/dbraw/zinc/40/49/88/617404988.db2.gz QZAGHKGXYIEYNK-SECBINFHSA-N -1 3 266.263 1.495 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893204087 617460835 /nfs/dbraw/zinc/46/08/35/617460835.db2.gz FIJZNKYRFBIEOE-KOLCDFICSA-N -1 3 275.308 1.053 20 30 CDEDHM CN(C(=O)c1ccccc1[O-])C1CCC(NCC#N)CC1 ZINC000963080520 615906590 /nfs/dbraw/zinc/90/65/90/615906590.db2.gz QQPAFBHBFQIAFK-UHFFFAOYSA-N -1 3 287.363 1.889 20 30 CDEDHM CN(C)c1cc(F)c(CN[C@@H]2CCCN([O-])C2=O)cc1F ZINC000895158407 619375547 /nfs/dbraw/zinc/37/55/47/619375547.db2.gz ZVKQWYSFSNBHOT-GFCCVEGCSA-N -1 3 299.321 1.501 20 30 CDEDHM O=C1[C@@H](NCc2cnc3ccccc3n2)CCCN1[O-] ZINC000895159687 619376146 /nfs/dbraw/zinc/37/61/46/619376146.db2.gz XHZHNPXUOAEGFF-ZDUSSCGKSA-N -1 3 272.308 1.100 20 30 CDEDHM O=C1[C@@H](NCc2cc(F)c(F)c(F)c2)CCCN1[O-] ZINC000895164066 619389649 /nfs/dbraw/zinc/38/96/49/619389649.db2.gz BDZAJHYZGZCRPW-JTQLQIEISA-N -1 3 274.242 1.574 20 30 CDEDHM C#CC1(O)CN(Cc2c([O-])cccc2Br)C1 ZINC000898145067 621340259 /nfs/dbraw/zinc/34/02/59/621340259.db2.gz TZZAEUUVDDMSLC-UHFFFAOYSA-N -1 3 282.137 1.335 20 30 CDEDHM CC(C)(C)C(=O)NCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376356 624212283 /nfs/dbraw/zinc/21/22/83/624212283.db2.gz UADOXDYPAPPPOO-UHFFFAOYSA-N -1 3 282.315 1.706 20 30 CDEDHM CCC(=O)N[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174428 626210401 /nfs/dbraw/zinc/21/04/01/626210401.db2.gz ANFPDBFPFLCSAA-VIFPVBQESA-N -1 3 268.288 1.458 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 ZINC000904207960 626212761 /nfs/dbraw/zinc/21/27/61/626212761.db2.gz JSIBFPJJRIMHSR-CQSZACIVSA-N -1 3 292.335 1.818 20 30 CDEDHM CCCCN([O-])C(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000904208202 626212790 /nfs/dbraw/zinc/21/27/90/626212790.db2.gz QBDNEYBCIFTLRH-UHFFFAOYSA-N -1 3 292.401 1.066 20 30 CDEDHM CCCCN([O-])C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 ZINC000904207818 626212915 /nfs/dbraw/zinc/21/29/15/626212915.db2.gz CSWYPCLTDLHHFY-UHFFFAOYSA-N -1 3 291.307 1.120 20 30 CDEDHM CCCCN([O-])C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000904208978 626213521 /nfs/dbraw/zinc/21/35/21/626213521.db2.gz ORMONSHGMSVOMR-UHFFFAOYSA-N -1 3 275.312 1.223 20 30 CDEDHM CCCCN([O-])C(=O)c1cc(C)c(C(N)=O)cn1 ZINC000904215076 626221248 /nfs/dbraw/zinc/22/12/48/626221248.db2.gz ZIGZWUHIYBVRRI-UHFFFAOYSA-N -1 3 251.286 1.120 20 30 CDEDHM CCCCN([O-])C(=O)C1CCC(C(=O)N(C)C)CC1 ZINC000904214772 626227500 /nfs/dbraw/zinc/22/75/00/626227500.db2.gz MTKINNLMKJJUQD-UHFFFAOYSA-N -1 3 270.373 1.899 20 30 CDEDHM CCOC(=O)[C@H](C#N)Nc1[n-]c(=O)c(Cl)cc1Cl ZINC001170366754 1162342847 /nfs/dbraw/zinc/34/28/47/1162342847.db2.gz SNNFSBVLFIJJKJ-ZETCQYMHSA-N -1 3 290.106 1.961 20 30 CDEDHM CCCNC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604221941 1163129226 /nfs/dbraw/zinc/12/92/26/1163129226.db2.gz LGUXDXCKYPCORF-UHFFFAOYSA-N -1 3 289.368 1.075 20 30 CDEDHM CCCNC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604221941 1163129231 /nfs/dbraw/zinc/12/92/31/1163129231.db2.gz LGUXDXCKYPCORF-UHFFFAOYSA-N -1 3 289.368 1.075 20 30 CDEDHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@H](C)C#N ZINC001604263610 1163137793 /nfs/dbraw/zinc/13/77/93/1163137793.db2.gz BDECPZCXPBWAPX-SSDOTTSWSA-N -1 3 276.325 1.302 20 30 CDEDHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@H](C)C#N ZINC001604263610 1163137800 /nfs/dbraw/zinc/13/78/00/1163137800.db2.gz BDECPZCXPBWAPX-SSDOTTSWSA-N -1 3 276.325 1.302 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#CC(C)(C)C ZINC001604804054 1163334858 /nfs/dbraw/zinc/33/48/58/1163334858.db2.gz MNBZDONBXFQPEP-UHFFFAOYSA-N -1 3 297.362 1.875 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#CC(C)(C)C ZINC001604804054 1163334867 /nfs/dbraw/zinc/33/48/67/1163334867.db2.gz MNBZDONBXFQPEP-UHFFFAOYSA-N -1 3 297.362 1.875 20 30 CDEDHM Cc1cc(=O)[n-]c(NNC2=C[C@@H](C(F)(F)F)OCC2)n1 ZINC000814681382 1164095026 /nfs/dbraw/zinc/09/50/26/1164095026.db2.gz IXHJOWFBPBTASF-QMMMGPOBSA-N -1 3 290.245 2.000 20 30 CDEDHM N#Cc1cnccc1CNC1(CC(=O)[O-])CCOCC1 ZINC001608222533 1164457621 /nfs/dbraw/zinc/45/76/21/1164457621.db2.gz IEANKLHLVPRJRB-UHFFFAOYSA-N -1 3 275.308 1.067 20 30 CDEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC1(F)F ZINC001609060976 1164753817 /nfs/dbraw/zinc/75/38/17/1164753817.db2.gz SFJYQQJUVMXXDE-NSHDSACASA-N -1 3 292.293 1.987 20 30 CDEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC1(F)F ZINC001609060976 1164753824 /nfs/dbraw/zinc/75/38/24/1164753824.db2.gz SFJYQQJUVMXXDE-NSHDSACASA-N -1 3 292.293 1.987 20 30 CDEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609092327 1164767902 /nfs/dbraw/zinc/76/79/02/1164767902.db2.gz FJVYKJQHGDQBBK-HNNXBMFYSA-N -1 3 298.350 1.925 20 30 CDEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609092327 1164767910 /nfs/dbraw/zinc/76/79/10/1164767910.db2.gz FJVYKJQHGDQBBK-HNNXBMFYSA-N -1 3 298.350 1.925 20 30 CDEDHM C[C@H](Nc1cc(C#N)ncn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609126389 1164784593 /nfs/dbraw/zinc/78/45/93/1164784593.db2.gz QSLXZEXGMZMORK-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@H](Nc1cc(C#N)ncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609126389 1164784599 /nfs/dbraw/zinc/78/45/99/1164784599.db2.gz QSLXZEXGMZMORK-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@]1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCOC1 ZINC001609142610 1164790803 /nfs/dbraw/zinc/79/08/03/1164790803.db2.gz FXMGPXMVKITVJB-CQSZACIVSA-N -1 3 298.306 1.103 20 30 CDEDHM C[C@@]1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCOC1 ZINC001609142610 1164790806 /nfs/dbraw/zinc/79/08/06/1164790806.db2.gz FXMGPXMVKITVJB-CQSZACIVSA-N -1 3 298.306 1.103 20 30 CDEDHM C[C@@H]1C[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001609156548 1164801700 /nfs/dbraw/zinc/80/17/00/1164801700.db2.gz AXVBYCDRTUEYGS-KOLCDFICSA-N -1 3 284.323 1.718 20 30 CDEDHM C[C@@H]1C[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001609156548 1164801706 /nfs/dbraw/zinc/80/17/06/1164801706.db2.gz AXVBYCDRTUEYGS-KOLCDFICSA-N -1 3 284.323 1.718 20 30 CDEDHM C=C[C@H](C(=O)[O-])N(C)Cc1ccc(OC)c(O)c1 ZINC001609262123 1164870026 /nfs/dbraw/zinc/87/00/26/1164870026.db2.gz GGKHGEKORVONHK-SNVBAGLBSA-N -1 3 251.282 1.472 20 30 CDEDHM CON1CCC(N=Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609332554 1164904583 /nfs/dbraw/zinc/90/45/83/1164904583.db2.gz YCSMTRDLIQXHHR-UHFFFAOYSA-N -1 3 287.327 1.292 20 30 CDEDHM CON1CCC(N=Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609332554 1164904590 /nfs/dbraw/zinc/90/45/90/1164904590.db2.gz YCSMTRDLIQXHHR-UHFFFAOYSA-N -1 3 287.327 1.292 20 30 CDEDHM COc1cc(C=NOC/C=C\Cl)ccc1-c1nnn[n-]1 ZINC001609341165 1164907344 /nfs/dbraw/zinc/90/73/44/1164907344.db2.gz BJGCXFJVGOWZKD-WLWPVCBVSA-N -1 3 293.714 1.978 20 30 CDEDHM C=CCOCCN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001609452664 1164955527 /nfs/dbraw/zinc/95/55/27/1164955527.db2.gz SPWWJLJHLQBUGP-LBPRGKRZSA-N -1 3 251.282 1.310 20 30 CDEDHM N#CC1(CNCc2cc(-c3nnn[n-]3)cs2)CC1 ZINC001609494093 1164976068 /nfs/dbraw/zinc/97/60/68/1164976068.db2.gz UZRKGWOMOXCNPC-UHFFFAOYSA-N -1 3 260.326 1.322 20 30 CDEDHM N#CC1(CNCc2cc(-c3nn[n-]n3)cs2)CC1 ZINC001609494093 1164976071 /nfs/dbraw/zinc/97/60/71/1164976071.db2.gz UZRKGWOMOXCNPC-UHFFFAOYSA-N -1 3 260.326 1.322 20 30 CDEDHM CN1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(C#N)c1[O-] ZINC001275734696 1166703802 /nfs/dbraw/zinc/70/38/02/1166703802.db2.gz NLMDMZLKBHJKIR-STQMWFEESA-N -1 3 271.320 1.182 20 30 CDEDHM CCOC(=O)C1CC(Oc2[n-]c(C)cc(=O)c2C#N)C1 ZINC001225470333 1167381089 /nfs/dbraw/zinc/38/10/89/1167381089.db2.gz VLUINROCIWSKJX-UHFFFAOYSA-N -1 3 276.292 1.688 20 30 CDEDHM C#C[C@H](C)OC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588326023 1173023904 /nfs/dbraw/zinc/02/39/04/1173023904.db2.gz CBPKSIPAAXNBKN-NSHDSACASA-N -1 3 284.319 1.591 20 30 CDEDHM C#C[C@H](C)OC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588326023 1173023908 /nfs/dbraw/zinc/02/39/08/1173023908.db2.gz CBPKSIPAAXNBKN-NSHDSACASA-N -1 3 284.319 1.591 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588325268 1173024030 /nfs/dbraw/zinc/02/40/30/1173024030.db2.gz INAQMTAXMWWTKK-NSHDSACASA-N -1 3 283.335 1.577 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588325268 1173024034 /nfs/dbraw/zinc/02/40/34/1173024034.db2.gz INAQMTAXMWWTKK-NSHDSACASA-N -1 3 283.335 1.577 20 30 CDEDHM C#C[C@@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588325442 1173024915 /nfs/dbraw/zinc/02/49/15/1173024915.db2.gz LMIQLGBKJKUKLM-SECBINFHSA-N -1 3 259.288 1.459 20 30 CDEDHM C#C[C@H](C)N(C)c1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588325082 1173025566 /nfs/dbraw/zinc/02/55/66/1173025566.db2.gz FPEWKIMEWKVRLC-VIFPVBQESA-N -1 3 259.288 1.772 20 30 CDEDHM C#C[C@H](C)N(C)c1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588325082 1173025573 /nfs/dbraw/zinc/02/55/73/1173025573.db2.gz FPEWKIMEWKVRLC-VIFPVBQESA-N -1 3 259.288 1.772 20 30 CDEDHM C#C[C@@H](CC)NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588326091 1173029011 /nfs/dbraw/zinc/02/90/11/1173029011.db2.gz DMVCOZKQDLEUIS-ZDUSSCGKSA-N -1 3 296.334 1.304 20 30 CDEDHM C#C[C@@H](CC)NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588326091 1173029019 /nfs/dbraw/zinc/02/90/19/1173029019.db2.gz DMVCOZKQDLEUIS-ZDUSSCGKSA-N -1 3 296.334 1.304 20 30 CDEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588332183 1173034705 /nfs/dbraw/zinc/03/47/05/1173034705.db2.gz HKMMLCILURZCQQ-LLVKDONJSA-N -1 3 296.334 1.198 20 30 CDEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588332183 1173034710 /nfs/dbraw/zinc/03/47/10/1173034710.db2.gz HKMMLCILURZCQQ-LLVKDONJSA-N -1 3 296.334 1.198 20 30 CDEDHM C#C[C@H]1CCCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001588332000 1173035307 /nfs/dbraw/zinc/03/53/07/1173035307.db2.gz FEYJTDGQVSQEQN-JTQLQIEISA-N -1 3 298.306 1.625 20 30 CDEDHM C#C[C@H]1CCCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001588332000 1173035312 /nfs/dbraw/zinc/03/53/12/1173035312.db2.gz FEYJTDGQVSQEQN-JTQLQIEISA-N -1 3 298.306 1.625 20 30 CDEDHM C#Cc1ccc(Nc2cc(-c3nnn[n-]3)cnn2)cc1 ZINC001588374791 1173053276 /nfs/dbraw/zinc/05/32/76/1173053276.db2.gz ODQMRBOCAAHFDK-UHFFFAOYSA-N -1 3 263.264 1.382 20 30 CDEDHM C#Cc1ccc(Nc2cc(-c3nn[n-]n3)cnn2)cc1 ZINC001588374791 1173053282 /nfs/dbraw/zinc/05/32/82/1173053282.db2.gz ODQMRBOCAAHFDK-UHFFFAOYSA-N -1 3 263.264 1.382 20 30 CDEDHM C=C(C)CCNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588423816 1173062224 /nfs/dbraw/zinc/06/22/24/1173062224.db2.gz BVMPJBNFDBOVCN-UHFFFAOYSA-N -1 3 292.730 1.611 20 30 CDEDHM C=C(C)CCNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588423816 1173062230 /nfs/dbraw/zinc/06/22/30/1173062230.db2.gz BVMPJBNFDBOVCN-UHFFFAOYSA-N -1 3 292.730 1.611 20 30 CDEDHM C=CCC(C)(C)C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588531420 1173077192 /nfs/dbraw/zinc/07/71/92/1173077192.db2.gz BBSGWKAVKPWGOC-UHFFFAOYSA-N -1 3 286.339 1.827 20 30 CDEDHM C=CCC(C)(C)C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001588531420 1173077202 /nfs/dbraw/zinc/07/72/02/1173077202.db2.gz BBSGWKAVKPWGOC-UHFFFAOYSA-N -1 3 286.339 1.827 20 30 CDEDHM C=CC[C@@H](C)OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588539639 1173077402 /nfs/dbraw/zinc/07/74/02/1173077402.db2.gz SPCZXHWZISHGGP-SNVBAGLBSA-N -1 3 272.308 1.917 20 30 CDEDHM C=CC[C@@H](C)OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588539639 1173077407 /nfs/dbraw/zinc/07/74/07/1173077407.db2.gz SPCZXHWZISHGGP-SNVBAGLBSA-N -1 3 272.308 1.917 20 30 CDEDHM C=CC[C@H]1CCN(C(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001588565269 1173082296 /nfs/dbraw/zinc/08/22/96/1173082296.db2.gz YAXSNOCIWNABCM-VIFPVBQESA-N -1 3 289.364 1.966 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588564545 1173084489 /nfs/dbraw/zinc/08/44/89/1173084489.db2.gz NYVQLDBHYYMOER-SNVBAGLBSA-N -1 3 287.298 1.796 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588564545 1173084499 /nfs/dbraw/zinc/08/44/99/1173084499.db2.gz NYVQLDBHYYMOER-SNVBAGLBSA-N -1 3 287.298 1.796 20 30 CDEDHM CC(=NOCC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC001588781953 1173105829 /nfs/dbraw/zinc/10/58/29/1173105829.db2.gz NJBGKEKKNYGHHV-UHFFFAOYSA-N -1 3 267.239 1.872 20 30 CDEDHM CC(=NOCC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC001588781953 1173105833 /nfs/dbraw/zinc/10/58/33/1173105833.db2.gz NJBGKEKKNYGHHV-UHFFFAOYSA-N -1 3 267.239 1.872 20 30 CDEDHM C[C@@H](C#N)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588934266 1173115166 /nfs/dbraw/zinc/11/51/66/1173115166.db2.gz HUAJFXXBXDBCEL-ZETCQYMHSA-N -1 3 289.274 1.287 20 30 CDEDHM C[C@@H](C#N)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588934266 1173115170 /nfs/dbraw/zinc/11/51/70/1173115170.db2.gz HUAJFXXBXDBCEL-ZETCQYMHSA-N -1 3 289.274 1.287 20 30 CDEDHM CC[C@H](C#N)N(CC)C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001590367677 1173375452 /nfs/dbraw/zinc/37/54/52/1173375452.db2.gz GYZAOFXWQCNVCB-GFCCVEGCSA-N -1 3 298.350 1.939 20 30 CDEDHM CC[C@H](C#N)N(CC)C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001590367677 1173375463 /nfs/dbraw/zinc/37/54/63/1173375463.db2.gz GYZAOFXWQCNVCB-GFCCVEGCSA-N -1 3 298.350 1.939 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001590538990 1173455007 /nfs/dbraw/zinc/45/50/07/1173455007.db2.gz WJUQFKNLALYQCT-NSHDSACASA-N -1 3 284.323 1.597 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001590538990 1173455010 /nfs/dbraw/zinc/45/50/10/1173455010.db2.gz WJUQFKNLALYQCT-NSHDSACASA-N -1 3 284.323 1.597 20 30 CDEDHM COc1ccc(-c2nnn[n-]2)cc1NCC1(CC#N)CC1 ZINC001591569680 1173671483 /nfs/dbraw/zinc/67/14/83/1173671483.db2.gz ORUYPMLCEVQROJ-UHFFFAOYSA-N -1 3 284.323 1.981 20 30 CDEDHM COc1ccc(-c2nn[n-]n2)cc1NCC1(CC#N)CC1 ZINC001591569680 1173671487 /nfs/dbraw/zinc/67/14/87/1173671487.db2.gz ORUYPMLCEVQROJ-UHFFFAOYSA-N -1 3 284.323 1.981 20 30 CDEDHM Cc1c(C(=O)N2CC[C@](C)(C#N)C2)cccc1-c1nnn[n-]1 ZINC001591803012 1173706072 /nfs/dbraw/zinc/70/60/72/1173706072.db2.gz YDJWBUHWYQOPLG-OAHLLOKOSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1c(C(=O)N2CC[C@](C)(C#N)C2)cccc1-c1nn[n-]n1 ZINC001591803012 1173706075 /nfs/dbraw/zinc/70/60/75/1173706075.db2.gz YDJWBUHWYQOPLG-OAHLLOKOSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1c(NC(=O)N2CC(CC#N)C2)cccc1-c1nnn[n-]1 ZINC001591825631 1173708974 /nfs/dbraw/zinc/70/89/74/1173708974.db2.gz QLYCCXDXTRDBIM-UHFFFAOYSA-N -1 3 297.322 1.553 20 30 CDEDHM Cc1c(NC(=O)N2CC(CC#N)C2)cccc1-c1nn[n-]n1 ZINC001591825631 1173708977 /nfs/dbraw/zinc/70/89/77/1173708977.db2.gz QLYCCXDXTRDBIM-UHFFFAOYSA-N -1 3 297.322 1.553 20 30 CDEDHM Cc1c(C(=O)O[C@H](C#N)C2CC2)cccc1-c1nnn[n-]1 ZINC001591813906 1173710129 /nfs/dbraw/zinc/71/01/29/1173710129.db2.gz XBKJQILRPKUYHB-GFCCVEGCSA-N -1 3 283.291 1.634 20 30 CDEDHM Cc1c(C(=O)O[C@H](C#N)C2CC2)cccc1-c1nn[n-]n1 ZINC001591813906 1173710131 /nfs/dbraw/zinc/71/01/31/1173710131.db2.gz XBKJQILRPKUYHB-GFCCVEGCSA-N -1 3 283.291 1.634 20 30 CDEDHM Cc1ccnc(NCc2cncc(-c3nnn[n-]3)c2)c1C#N ZINC001592275774 1173843186 /nfs/dbraw/zinc/84/31/86/1173843186.db2.gz YVABYONXWLIPOU-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1ccnc(NCc2cncc(-c3nn[n-]n3)c2)c1C#N ZINC001592275774 1173843188 /nfs/dbraw/zinc/84/31/88/1173843188.db2.gz YVABYONXWLIPOU-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1ccnc(NCc2cncc(C#N)c2)c1-c1nnn[n-]1 ZINC001592275449 1173843449 /nfs/dbraw/zinc/84/34/49/1173843449.db2.gz MCSIWHXZUSDEKL-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1ccnc(NCc2cncc(C#N)c2)c1-c1nn[n-]n1 ZINC001592275449 1173843452 /nfs/dbraw/zinc/84/34/52/1173843452.db2.gz MCSIWHXZUSDEKL-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1nc(NC(=O)CC2(C#N)CC2)ccc1-c1nnn[n-]1 ZINC001592377415 1173873904 /nfs/dbraw/zinc/87/39/04/1173873904.db2.gz VRJANJZSXYXNLE-UHFFFAOYSA-N -1 3 283.295 1.203 20 30 CDEDHM Cc1nc(NC(=O)CC2(C#N)CC2)ccc1-c1nn[n-]n1 ZINC001592377415 1173873910 /nfs/dbraw/zinc/87/39/10/1173873910.db2.gz VRJANJZSXYXNLE-UHFFFAOYSA-N -1 3 283.295 1.203 20 30 CDEDHM N#CCCSc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592677505 1173968758 /nfs/dbraw/zinc/96/87/58/1173968758.db2.gz BTTUPDKHPWYCIP-UHFFFAOYSA-N -1 3 294.271 1.920 20 30 CDEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ncn1 ZINC001592690205 1173970351 /nfs/dbraw/zinc/97/03/51/1173970351.db2.gz QEKPJEBPQKBUDF-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)ncn1 ZINC001592690205 1173970355 /nfs/dbraw/zinc/97/03/55/1173970355.db2.gz QEKPJEBPQKBUDF-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC1CCC1 ZINC001592685912 1173973110 /nfs/dbraw/zinc/97/31/10/1173973110.db2.gz BRLUMBMKYCDFLG-UHFFFAOYSA-N -1 3 273.325 1.360 20 30 CDEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC1CCC1 ZINC001592685912 1173973113 /nfs/dbraw/zinc/97/31/13/1173973113.db2.gz BRLUMBMKYCDFLG-UHFFFAOYSA-N -1 3 273.325 1.360 20 30 CDEDHM N#Cc1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC001592700498 1173973860 /nfs/dbraw/zinc/97/38/60/1173973860.db2.gz IZZFZKSBUCEBRU-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM N#Cc1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC001592700498 1173973869 /nfs/dbraw/zinc/97/38/69/1173973869.db2.gz IZZFZKSBUCEBRU-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCC1CCOCC1 ZINC001592699974 1173975134 /nfs/dbraw/zinc/97/51/34/1173975134.db2.gz VJAPITVPNPARDR-UHFFFAOYSA-N -1 3 298.350 1.967 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCC1CCOCC1 ZINC001592699974 1173975143 /nfs/dbraw/zinc/97/51/43/1173975143.db2.gz VJAPITVPNPARDR-UHFFFAOYSA-N -1 3 298.350 1.967 20 30 CDEDHM O=C1C(=Cc2cocn2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593379231 1174074644 /nfs/dbraw/zinc/07/46/44/1174074644.db2.gz BGLHEQOPRBZBJG-RUDMXATFSA-N -1 3 294.274 1.462 20 30 CDEDHM O=C1C(=Cc2cocn2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593379231 1174074652 /nfs/dbraw/zinc/07/46/52/1174074652.db2.gz BGLHEQOPRBZBJG-RUDMXATFSA-N -1 3 294.274 1.462 20 30 CDEDHM c1cc2c(cc1-c1nnn[n-]1)CCCC2=NN[C@@H]1CCOC1 ZINC001593565152 1174140918 /nfs/dbraw/zinc/14/09/18/1174140918.db2.gz RZCHUDHZJYWKLW-GFCCVEGCSA-N -1 3 298.350 1.286 20 30 CDEDHM c1cc2c(cc1-c1nn[n-]n1)CCCC2=NN[C@@H]1CCOC1 ZINC001593565152 1174140922 /nfs/dbraw/zinc/14/09/22/1174140922.db2.gz RZCHUDHZJYWKLW-GFCCVEGCSA-N -1 3 298.350 1.286 20 30 CDEDHM c1nc2c(cc1-c1nnn[n-]1)CCCC2=NNC1CCCC1 ZINC001593592478 1174160253 /nfs/dbraw/zinc/16/02/53/1174160253.db2.gz YRNRSZMGZKGFCW-UHFFFAOYSA-N -1 3 297.366 1.834 20 30 CDEDHM c1nc2c(cc1-c1nn[n-]n1)CCCC2=NNC1CCCC1 ZINC001593592478 1174160258 /nfs/dbraw/zinc/16/02/58/1174160258.db2.gz YRNRSZMGZKGFCW-UHFFFAOYSA-N -1 3 297.366 1.834 20 30 CDEDHM N#Cc1ccc(CN[C@H](CC(F)F)C(=O)[O-])c(F)c1 ZINC001601101973 1174742838 /nfs/dbraw/zinc/74/28/38/1174742838.db2.gz UENPBZJULKHVIC-SNVBAGLBSA-N -1 3 272.226 1.895 20 30 CDEDHM C#C[C@H](C)NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001602690530 1175353637 /nfs/dbraw/zinc/35/36/37/1175353637.db2.gz WPQZNAYZVCKCPR-QMMMGPOBSA-N -1 3 280.291 1.100 20 30 CDEDHM C#C[C@H](C)NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001602690530 1175353646 /nfs/dbraw/zinc/35/36/46/1175353646.db2.gz WPQZNAYZVCKCPR-QMMMGPOBSA-N -1 3 280.291 1.100 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602690705 1175355170 /nfs/dbraw/zinc/35/51/70/1175355170.db2.gz YSJRKYRNPCYCPW-JTQLQIEISA-N -1 3 269.308 1.269 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602690705 1175355179 /nfs/dbraw/zinc/35/51/79/1175355179.db2.gz YSJRKYRNPCYCPW-JTQLQIEISA-N -1 3 269.308 1.269 20 30 CDEDHM C#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)C(C)C ZINC001602691570 1175357589 /nfs/dbraw/zinc/35/75/89/1175357589.db2.gz ZXWJDWLDEMVNLN-VIFPVBQESA-N -1 3 275.337 1.316 20 30 CDEDHM C#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)C(C)C ZINC001602691570 1175357593 /nfs/dbraw/zinc/35/75/93/1175357593.db2.gz ZXWJDWLDEMVNLN-VIFPVBQESA-N -1 3 275.337 1.316 20 30 CDEDHM C#C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602697050 1175361471 /nfs/dbraw/zinc/36/14/71/1175361471.db2.gz QKYHFBOSLGWVPH-SNVBAGLBSA-N -1 3 298.306 1.767 20 30 CDEDHM C#C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602697050 1175361477 /nfs/dbraw/zinc/36/14/77/1175361477.db2.gz QKYHFBOSLGWVPH-SNVBAGLBSA-N -1 3 298.306 1.767 20 30 CDEDHM C#CCNC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602722365 1175372896 /nfs/dbraw/zinc/37/28/96/1175372896.db2.gz ODOUUVOBWPFGKJ-SNVBAGLBSA-N -1 3 284.323 1.202 20 30 CDEDHM C#CCNC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602722365 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283.310 1.464 20 30 CDEDHM C#CCN(CC#CC)Cc1cccc(F)c1-c1nn[n-]n1 ZINC001588350092 1173051367 /nfs/dbraw/zinc/05/13/67/1173051367.db2.gz BPWCUBYLGVSJFO-UHFFFAOYSA-N -1 3 283.310 1.464 20 30 CDEDHM C#CCON=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588363719 1173055035 /nfs/dbraw/zinc/05/50/35/1173055035.db2.gz WLVZZZRNYWACGA-UHFFFAOYSA-N -1 3 259.244 1.380 20 30 CDEDHM C#CCON=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588363719 1173055039 /nfs/dbraw/zinc/05/50/39/1173055039.db2.gz WLVZZZRNYWACGA-UHFFFAOYSA-N -1 3 259.244 1.380 20 30 CDEDHM C=C1CCN(Cc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588462416 1173067520 /nfs/dbraw/zinc/06/75/20/1173067520.db2.gz GPHGXSCFCROIID-UHFFFAOYSA-N -1 3 256.313 1.414 20 30 CDEDHM C=C1CN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588462393 1173067582 /nfs/dbraw/zinc/06/75/82/1173067582.db2.gz FXJUEOIEYYQCSJ-QWHCGFSZSA-N -1 3 281.319 1.369 20 30 CDEDHM C=C1CN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588462393 1173067587 /nfs/dbraw/zinc/06/75/87/1173067587.db2.gz 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/nfs/dbraw/zinc/08/41/74/1173084174.db2.gz CKPQPDNALBOEQG-UHFFFAOYSA-N -1 3 288.355 1.917 20 30 CDEDHM C=CCCCN(C)C(=O)c1cnccc1-c1nnn[n-]1 ZINC001588601982 1173087425 /nfs/dbraw/zinc/08/74/25/1173087425.db2.gz XNBGEUJIQQUPCK-UHFFFAOYSA-N -1 3 272.312 1.300 20 30 CDEDHM C=CCCCN(C)C(=O)c1cnccc1-c1nn[n-]n1 ZINC001588601982 1173087430 /nfs/dbraw/zinc/08/74/30/1173087430.db2.gz XNBGEUJIQQUPCK-UHFFFAOYSA-N -1 3 272.312 1.300 20 30 CDEDHM CC(=NNCCC(F)(F)F)c1cc(-c2nnn[n-]2)ccn1 ZINC001588777094 1173106036 /nfs/dbraw/zinc/10/60/36/1173106036.db2.gz CYIVKLUMOCEREO-UHFFFAOYSA-N -1 3 299.260 1.528 20 30 CDEDHM CC(=NNCCC(F)(F)F)c1cc(-c2nn[n-]n2)ccn1 ZINC001588777094 1173106041 /nfs/dbraw/zinc/10/60/41/1173106041.db2.gz CYIVKLUMOCEREO-UHFFFAOYSA-N -1 3 299.260 1.528 20 30 CDEDHM C[C@H](O)[C@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001589994215 1173226085 /nfs/dbraw/zinc/22/60/85/1173226085.db2.gz DSPKLXVUVYIVLC-JQWIXIFHSA-N -1 3 298.350 1.336 20 30 CDEDHM C[C@H](O)[C@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001589994215 1173226104 /nfs/dbraw/zinc/22/61/04/1173226104.db2.gz DSPKLXVUVYIVLC-JQWIXIFHSA-N -1 3 298.350 1.336 20 30 CDEDHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@](C)(C#N)C1 ZINC001590040042 1173236708 /nfs/dbraw/zinc/23/67/08/1173236708.db2.gz QRAJZHBQFUEFIO-NHYWBVRUSA-N -1 3 298.350 1.542 20 30 CDEDHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@](C)(C#N)C1 ZINC001590040042 1173236713 /nfs/dbraw/zinc/23/67/13/1173236713.db2.gz QRAJZHBQFUEFIO-NHYWBVRUSA-N -1 3 298.350 1.542 20 30 CDEDHM CC1(C)OCC[C@H]1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC001590116565 1173262915 /nfs/dbraw/zinc/26/29/15/1173262915.db2.gz CMTLQUYTDODAGY-SNVBAGLBSA-N -1 3 292.368 1.419 20 30 CDEDHM CC1(C)OCC[C@H]1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC001590116565 1173262918 /nfs/dbraw/zinc/26/29/18/1173262918.db2.gz CMTLQUYTDODAGY-SNVBAGLBSA-N -1 3 292.368 1.419 20 30 CDEDHM CC[C@@H](C#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N ZINC001590367492 1173376113 /nfs/dbraw/zinc/37/61/13/1173376113.db2.gz 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N#C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592672750 1173962570 /nfs/dbraw/zinc/96/25/70/1173962570.db2.gz OCMOSXDEPAVJKS-VIFPVBQESA-N -1 3 299.294 1.515 20 30 CDEDHM N#C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592672750 1173962574 /nfs/dbraw/zinc/96/25/74/1173962574.db2.gz OCMOSXDEPAVJKS-VIFPVBQESA-N -1 3 299.294 1.515 20 30 CDEDHM N#Cc1ccc(NC(=O)c2ccccc2)cc1-c1nnn[n-]1 ZINC001592696276 1173974337 /nfs/dbraw/zinc/97/43/37/1173974337.db2.gz VIZFWXWKSLWXLC-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM N#Cc1ccc(NC(=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC001592696276 1173974343 /nfs/dbraw/zinc/97/43/43/1173974343.db2.gz VIZFWXWKSLWXLC-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1(O)CCCCC1 ZINC001592698436 1173974792 /nfs/dbraw/zinc/97/47/92/1173974792.db2.gz AYFAQTNKLCGVPW-UHFFFAOYSA-N -1 3 298.350 1.845 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1(O)CCCCC1 ZINC001592698436 1173974802 /nfs/dbraw/zinc/97/48/02/1173974802.db2.gz AYFAQTNKLCGVPW-UHFFFAOYSA-N -1 3 298.350 1.845 20 30 CDEDHM O=C(C#CC1CC1)OCCOc1ccccc1-c1nnn[n-]1 ZINC001592768061 1173989114 /nfs/dbraw/zinc/98/91/14/1173989114.db2.gz YQTYKQGNKWRFBT-UHFFFAOYSA-N -1 3 298.302 1.202 20 30 CDEDHM O=C(C#CC1CC1)OCCOc1ccccc1-c1nn[n-]n1 ZINC001592768061 1173989121 /nfs/dbraw/zinc/98/91/21/1173989121.db2.gz YQTYKQGNKWRFBT-UHFFFAOYSA-N -1 3 298.302 1.202 20 30 CDEDHM c1cc(N=NC2CO[C@@H](C3CC3)C2)cc(-c2nnn[n-]2)c1 ZINC001593561755 1174137490 /nfs/dbraw/zinc/13/74/90/1174137490.db2.gz WUVOXDXQWNCGSQ-CYBMUJFWSA-N -1 3 284.323 1.834 20 30 CDEDHM c1cc(N=NC2CO[C@@H](C3CC3)C2)cc(-c2nn[n-]n2)c1 ZINC001593561755 1174137493 /nfs/dbraw/zinc/13/74/93/1174137493.db2.gz WUVOXDXQWNCGSQ-CYBMUJFWSA-N -1 3 284.323 1.834 20 30 CDEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000095346012 1174524697 /nfs/dbraw/zinc/52/46/97/1174524697.db2.gz JMEGAWZDMHXGOI-DAXSKMNVSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000095346012 1174524705 /nfs/dbraw/zinc/52/47/05/1174524705.db2.gz JMEGAWZDMHXGOI-DAXSKMNVSA-N -1 3 280.291 1.496 20 30 CDEDHM C#CCN(C(=O)c1cc(-c2nnn[n-]2)ccc1F)C1CC1 ZINC001602716780 1175370441 /nfs/dbraw/zinc/37/04/41/1175370441.db2.gz PRPVLUXVEIFXKP-UHFFFAOYSA-N -1 3 285.282 1.244 20 30 CDEDHM C#CCN(C(=O)c1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC001602716780 1175370446 /nfs/dbraw/zinc/37/04/46/1175370446.db2.gz PRPVLUXVEIFXKP-UHFFFAOYSA-N -1 3 285.282 1.244 20 30 CDEDHM C=C[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001602797655 1175404308 /nfs/dbraw/zinc/40/43/08/1175404308.db2.gz IJIZWCADNDSLFA-VIFPVBQESA-N -1 3 287.323 1.664 20 30 CDEDHM C=C[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001602797655 1175404311 /nfs/dbraw/zinc/40/43/11/1175404311.db2.gz IJIZWCADNDSLFA-VIFPVBQESA-N -1 3 287.323 1.664 20 30 CDEDHM C=C[C@H](NC[C@H](n1cccn1)C(F)(F)F)C(=O)[O-] ZINC001602819196 1175415701 /nfs/dbraw/zinc/41/57/01/1175415701.db2.gz PQZQDGGSUUSRAG-YUMQZZPRSA-N -1 3 263.219 1.215 20 30 CDEDHM 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ZINC001592699630 1173975434 /nfs/dbraw/zinc/97/54/34/1173975434.db2.gz FPMZJPWMSNTRNY-UHFFFAOYSA-N -1 3 292.306 1.328 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccc(N)nc1 ZINC001592699630 1173975439 /nfs/dbraw/zinc/97/54/39/1173975439.db2.gz FPMZJPWMSNTRNY-UHFFFAOYSA-N -1 3 292.306 1.328 20 30 CDEDHM N#Cc1ncccc1OCc1cccc(-c2nnn[n-]2)c1F ZINC001592710161 1173981759 /nfs/dbraw/zinc/98/17/59/1173981759.db2.gz XQIRQLPNIMUOAV-UHFFFAOYSA-N -1 3 296.265 1.851 20 30 CDEDHM N#Cc1ncccc1OCc1cccc(-c2nn[n-]n2)c1F ZINC001592710161 1173981763 /nfs/dbraw/zinc/98/17/63/1173981763.db2.gz XQIRQLPNIMUOAV-UHFFFAOYSA-N -1 3 296.265 1.851 20 30 CDEDHM c1cc2c(cc1-c1nnn[n-]1)CCCC2=NN[C@H]1CCOC1 ZINC001593565153 1174141051 /nfs/dbraw/zinc/14/10/51/1174141051.db2.gz RZCHUDHZJYWKLW-LBPRGKRZSA-N -1 3 298.350 1.286 20 30 CDEDHM c1cc2c(cc1-c1nn[n-]n1)CCCC2=NN[C@H]1CCOC1 ZINC001593565153 1174141054 /nfs/dbraw/zinc/14/10/54/1174141054.db2.gz RZCHUDHZJYWKLW-LBPRGKRZSA-N -1 3 298.350 1.286 20 30 CDEDHM C#C[C@@](C)(CC)NCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001602670671 1175347071 /nfs/dbraw/zinc/34/70/71/1175347071.db2.gz ZQIIKDPRASNYED-AWEZNQCLSA-N -1 3 280.368 1.282 20 30 CDEDHM C#CC[C@@H](NCc1cn2cccc(F)c2n1)C(=O)[O-] ZINC001602694719 1175360990 /nfs/dbraw/zinc/36/09/90/1175360990.db2.gz QFYJEOMEOMFTBY-LLVKDONJSA-N -1 3 261.256 1.040 20 30 CDEDHM C#CC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001602703677 1175367077 /nfs/dbraw/zinc/36/70/77/1175367077.db2.gz YELQLZZBMLHQSQ-SECBINFHSA-N -1 3 299.294 1.020 20 30 CDEDHM C#CC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001602703677 1175367081 /nfs/dbraw/zinc/36/70/81/1175367081.db2.gz YELQLZZBMLHQSQ-SECBINFHSA-N -1 3 299.294 1.020 20 30 CDEDHM C#CC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001602703543 1175367204 /nfs/dbraw/zinc/36/72/04/1175367204.db2.gz UVVOHTDGASQSNV-JTQLQIEISA-N -1 3 254.297 1.111 20 30 CDEDHM C#CC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001602703543 1175367207 /nfs/dbraw/zinc/36/72/07/1175367207.db2.gz 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CC#CCN(C)C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602894392 1175446115 /nfs/dbraw/zinc/44/61/15/1175446115.db2.gz ZIFZRBNWLQCUCX-LBPRGKRZSA-N -1 3 297.362 1.527 20 30 CDEDHM CC#CCN(C)C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602894392 1175446120 /nfs/dbraw/zinc/44/61/20/1175446120.db2.gz ZIFZRBNWLQCUCX-LBPRGKRZSA-N -1 3 297.362 1.527 20 30 CDEDHM C[C@H](C#N)OCCNc1ccc(-c2nn[n-]n2)cc1 ZINC001602989784 1175473287 /nfs/dbraw/zinc/47/32/87/1175473287.db2.gz SPBDITFVINTSCL-SECBINFHSA-N -1 3 258.285 1.207 20 30 CDEDHM CC(C)C#CC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603192461 1175511950 /nfs/dbraw/zinc/51/19/50/1175511950.db2.gz BVLFJLZMRMCEKR-UHFFFAOYSA-N -1 3 273.271 1.604 20 30 CDEDHM CC(C)C#CC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603192461 1175511954 /nfs/dbraw/zinc/51/19/54/1175511954.db2.gz BVLFJLZMRMCEKR-UHFFFAOYSA-N -1 3 273.271 1.604 20 30 CDEDHM CC(F)(F)CCCn1cnc(C#N)c1-c1nnn[n-]1 ZINC001603595099 1175574565 /nfs/dbraw/zinc/57/45/65/1175574565.db2.gz GVLDRUOEHOFBME-UHFFFAOYSA-N -1 3 267.243 1.370 20 30 CDEDHM C[C@]1(C#N)CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001603737531 1175611832 /nfs/dbraw/zinc/61/18/32/1175611832.db2.gz SSXUQMMFVYUJDZ-CQSZACIVSA-N -1 3 286.314 1.741 20 30 CDEDHM C[C@]1(C#N)CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001603737531 1175611835 /nfs/dbraw/zinc/61/18/35/1175611835.db2.gz SSXUQMMFVYUJDZ-CQSZACIVSA-N -1 3 286.314 1.741 20 30 CDEDHM CCC(C#N)(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001603977657 1175704596 /nfs/dbraw/zinc/70/45/96/1175704596.db2.gz GRQLWXAQSYZOQT-UHFFFAOYSA-N -1 3 285.311 1.530 20 30 CDEDHM CCC(C#N)(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001603977657 1175704599 /nfs/dbraw/zinc/70/45/99/1175704599.db2.gz GRQLWXAQSYZOQT-UHFFFAOYSA-N -1 3 285.311 1.530 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001603977844 1175705347 /nfs/dbraw/zinc/70/53/47/1175705347.db2.gz KNDAPUCAEXUEFQ-SECBINFHSA-N -1 3 287.279 1.334 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001603977844 1175705351 /nfs/dbraw/zinc/70/53/51/1175705351.db2.gz KNDAPUCAEXUEFQ-SECBINFHSA-N -1 3 287.279 1.334 20 30 CDEDHM N#Cc1ncc(OCc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001606398170 1163890435 /nfs/dbraw/zinc/89/04/35/1163890435.db2.gz PDSYDTQUEJAPHZ-UHFFFAOYSA-N -1 3 285.292 1.169 20 30 CDEDHM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001609019622 1164726827 /nfs/dbraw/zinc/72/68/27/1164726827.db2.gz ZTJKOKUGJATMHY-LBPRGKRZSA-N -1 3 283.335 1.644 20 30 CDEDHM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001609019622 1164726842 /nfs/dbraw/zinc/72/68/42/1164726842.db2.gz ZTJKOKUGJATMHY-LBPRGKRZSA-N -1 3 283.335 1.644 20 30 CDEDHM C#CCCCC(=O)OCc1ccccc1-c1nnn[n-]1 ZINC001609019742 1164727997 /nfs/dbraw/zinc/72/79/97/1164727997.db2.gz FJLLQDZKYKAYBR-UHFFFAOYSA-N -1 3 270.292 1.713 20 30 CDEDHM C#CCCCC(=O)OCc1ccccc1-c1nn[n-]n1 ZINC001609019742 1164728006 /nfs/dbraw/zinc/72/80/06/1164728006.db2.gz FJLLQDZKYKAYBR-UHFFFAOYSA-N -1 3 270.292 1.713 20 30 CDEDHM O=C(N[C@@H](C1CC1)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000879589078 738428500 /nfs/dbraw/zinc/42/85/00/738428500.db2.gz XWOSAJOPWZEIFC-SFYZADRCSA-N -1 3 295.261 1.007 20 30 CDEDHM CC(C)c1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000816758366 736530870 /nfs/dbraw/zinc/53/08/70/736530870.db2.gz OAHLARZJAUBKPF-CYBMUJFWSA-N -1 3 276.336 1.920 20 30 CDEDHM C=CCC[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000321248909 736575241 /nfs/dbraw/zinc/57/52/41/736575241.db2.gz PYADFFJMMBMHBY-VIFPVBQESA-N -1 3 251.282 1.155 20 30 CDEDHM CC[C@@H](NN=C1CCCc2cc(N)ccc21)C(=O)[O-] ZINC000834980775 736604030 /nfs/dbraw/zinc/60/40/30/736604030.db2.gz CTZMHZDWHOGRJY-GFCCVEGCSA-N -1 3 261.325 1.762 20 30 CDEDHM C=C(C)CN1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001033024370 736652697 /nfs/dbraw/zinc/65/26/97/736652697.db2.gz CVHHBIYQMJUULL-LBPRGKRZSA-N -1 3 275.352 1.510 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Cl)cc1F ZINC000816756309 736662312 /nfs/dbraw/zinc/66/23/12/736662312.db2.gz VDFDLXCFOGKVDP-SNVBAGLBSA-N -1 3 286.690 1.589 20 30 CDEDHM C=CCN1CC[C@@H](N(CC)C(=O)c2ncccc2[O-])C1 ZINC001033803143 736677336 /nfs/dbraw/zinc/67/73/36/736677336.db2.gz FCJAACRJUWKETC-GFCCVEGCSA-N -1 3 275.352 1.510 20 30 CDEDHM C#CCCCCCC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000779939406 737407882 /nfs/dbraw/zinc/40/78/82/737407882.db2.gz LJAHINKGQUIJBK-UHFFFAOYSA-N -1 3 273.336 1.651 20 30 CDEDHM C=C[C@H](C)O[N-]C(=O)CCc1nc(C(C)C)no1 ZINC000846551435 737609480 /nfs/dbraw/zinc/60/94/80/737609480.db2.gz UWPSWLWRGRPFSR-VIFPVBQESA-N -1 3 253.302 1.748 20 30 CDEDHM CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C#N)c([O-])c1 ZINC000923271799 737616635 /nfs/dbraw/zinc/61/66/35/737616635.db2.gz QVUSAPPQDKPGGK-UONOGXRCSA-N -1 3 285.347 1.573 20 30 CDEDHM N#CCN1CCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001072491177 738499580 /nfs/dbraw/zinc/49/95/80/738499580.db2.gz LJCUUKFKGNOISX-UHFFFAOYSA-N -1 3 271.320 1.064 20 30 CDEDHM COCCN(C)N=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000794970975 738509804 /nfs/dbraw/zinc/50/98/04/738509804.db2.gz FZXNZFRJPZOQKG-UHFFFAOYSA-N -1 3 272.732 1.966 20 30 CDEDHM O=c1nc(C=N[O-])ccn1CCCc1ccsc1 ZINC000782947190 737807605 /nfs/dbraw/zinc/80/76/05/737807605.db2.gz DVEHTRLPSPXECH-UHFFFAOYSA-N -1 3 263.322 1.746 20 30 CDEDHM C=CCO[N-]C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000837047383 737865599 /nfs/dbraw/zinc/86/55/99/737865599.db2.gz DKYAKEJQXVNGCR-HNNXBMFYSA-N -1 3 290.363 1.511 20 30 CDEDHM Cc1ncc(CO)c(/C=N\CCOC(F)(F)F)c1[O-] ZINC000788673441 738151488 /nfs/dbraw/zinc/15/14/88/738151488.db2.gz OJTZLIJYMJWWJR-WCSRMQSCSA-N -1 3 278.230 1.543 20 30 CDEDHM C=C(C)C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)OCC ZINC000882644903 738309940 /nfs/dbraw/zinc/30/99/40/738309940.db2.gz RJGCTPZAGVRRHH-JTQLQIEISA-N -1 3 287.337 1.456 20 30 CDEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000384228376 738327734 /nfs/dbraw/zinc/32/77/34/738327734.db2.gz WCDBLYNKQJMFPW-SNVBAGLBSA-N -1 3 258.368 1.532 20 30 CDEDHM O=C(CCC1CCCCC1)N[C@@H]1CCCN([O-])C1=O ZINC000816755422 738342187 /nfs/dbraw/zinc/34/21/87/738342187.db2.gz 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C#C[C@@H](CC)NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000491474388 332218172 /nfs/dbraw/zinc/21/81/72/332218172.db2.gz MHSXJNOTQRLGOI-NSHDSACASA-N -1 3 299.330 1.020 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000491699622 332294284 /nfs/dbraw/zinc/29/42/84/332294284.db2.gz RZSTUMOMGFGNMC-QMMMGPOBSA-N -1 3 290.269 1.900 20 30 CDEDHM C[C@H]1C(=NN=c2cc[n-]n2C)CCN1C(=O)OC(C)(C)C ZINC000496584260 332553869 /nfs/dbraw/zinc/55/38/69/332553869.db2.gz DGTDGNZXRWAMTK-JTQLQIEISA-N -1 3 293.371 1.639 20 30 CDEDHM N#CC[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000194607841 333273086 /nfs/dbraw/zinc/27/30/86/333273086.db2.gz WVLFWJNFWZYBEP-UHFFFAOYSA-N -1 3 262.693 1.422 20 30 CDEDHM C=C1O[C@H](CC)C(=O)C1Oc1ccnc(=S)[n-]1 ZINC001226940380 1160266432 /nfs/dbraw/zinc/26/64/32/1160266432.db2.gz PZOMMKUPXKEFOX-SSDOTTSWSA-N -1 3 252.295 1.754 20 30 CDEDHM COC(=O)CCCS(=O)(=O)[N-][C@H](C#N)c1ccccc1 ZINC000049062092 523038532 /nfs/dbraw/zinc/03/85/32/523038532.db2.gz UGGXSTVDZFMKEW-GFCCVEGCSA-N -1 3 296.348 1.124 20 30 CDEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1cncs1 ZINC000338424819 525506314 /nfs/dbraw/zinc/50/63/14/525506314.db2.gz NFHABPFZWOHMSC-QMMMGPOBSA-N -1 3 294.361 1.449 20 30 CDEDHM C=CCN(CC=C)C(=O)CSc1n[n-]c(COC)n1 ZINC000353829473 527619253 /nfs/dbraw/zinc/61/92/53/527619253.db2.gz JVVGTCXGAPVJIT-UHFFFAOYSA-N -1 3 282.369 1.244 20 30 CDEDHM N#CC1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000737678980 574460030 /nfs/dbraw/zinc/46/00/30/574460030.db2.gz NIPOEGVRUCGCEV-UHFFFAOYSA-N -1 3 286.314 1.741 20 30 CDEDHM N#CC1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000737678980 574460031 /nfs/dbraw/zinc/46/00/31/574460031.db2.gz NIPOEGVRUCGCEV-UHFFFAOYSA-N -1 3 286.314 1.741 20 30 CDEDHM C=CCN(CC=C)C(=O)CO[N-]C(=O)C(C)(C)C ZINC000729264312 574742731 /nfs/dbraw/zinc/74/27/31/574742731.db2.gz HVOHEKZVKOAVOR-UHFFFAOYSA-N -1 3 254.330 1.281 20 30 CDEDHM C=C(C)CN1CCC(NC(=O)NCCCC(=O)[O-])CC1 ZINC000736095072 575569942 /nfs/dbraw/zinc/56/99/42/575569942.db2.gz HKJSJGSWLZWQDW-UHFFFAOYSA-N -1 3 283.372 1.191 20 30 CDEDHM CCO[C@H]1CC(=N[N-]S(C)(=O)=O)C1(CC)CC ZINC000764702185 575935626 /nfs/dbraw/zinc/93/56/26/575935626.db2.gz SLAOXVREVMUPHV-JTQLQIEISA-N -1 3 262.375 1.507 20 30 CDEDHM C#CCCC[N-]S(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000767794458 576229926 /nfs/dbraw/zinc/22/99/26/576229926.db2.gz AQUUSCZDKAOSQV-UHFFFAOYSA-N -1 3 288.756 1.435 20 30 CDEDHM [O-]c1c(O)ccc(/C=N\CCc2cnccn2)c1O ZINC000774540698 575213228 /nfs/dbraw/zinc/21/32/28/575213228.db2.gz DYOYUDGDKGIFHZ-AUWJEWJLSA-N -1 3 259.265 1.255 20 30 CDEDHM COCCN(CCC#N)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000769763610 575381466 /nfs/dbraw/zinc/38/14/66/575381466.db2.gz YUQFRQGVEILQQV-UHFFFAOYSA-N -1 3 292.291 1.123 20 30 CDEDHM C=CC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735410115 575460858 /nfs/dbraw/zinc/46/08/58/575460858.db2.gz UOIIMDBTQDEMTP-UHFFFAOYSA-N -1 3 256.313 1.664 20 30 CDEDHM C=CC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735410115 575460859 /nfs/dbraw/zinc/46/08/59/575460859.db2.gz UOIIMDBTQDEMTP-UHFFFAOYSA-N -1 3 256.313 1.664 20 30 CDEDHM C=CC[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735408964 575465669 /nfs/dbraw/zinc/46/56/69/575465669.db2.gz AFMFRKFVAHRFLO-VIFPVBQESA-N -1 3 293.352 1.110 20 30 CDEDHM C=CC[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735408964 575465672 /nfs/dbraw/zinc/46/56/72/575465672.db2.gz AFMFRKFVAHRFLO-VIFPVBQESA-N -1 3 293.352 1.110 20 30 CDEDHM C=CCOCC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000735437437 575468075 /nfs/dbraw/zinc/46/80/75/575468075.db2.gz IRDVIZPGJZCFFN-UHFFFAOYSA-N -1 3 292.270 1.252 20 30 CDEDHM C=CCOCC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000735437437 575468078 /nfs/dbraw/zinc/46/80/78/575468078.db2.gz IRDVIZPGJZCFFN-UHFFFAOYSA-N -1 3 292.270 1.252 20 30 CDEDHM O=C1N=NCN1N=Cc1cc(Br)ccc1[O-] ZINC000770615032 575473833 /nfs/dbraw/zinc/47/38/33/575473833.db2.gz FJWMCHWXXMOADB-UHFFFAOYSA-N -1 3 283.085 1.334 20 30 CDEDHM C[C@@H](N[C@@H](C)CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000735963846 575540308 /nfs/dbraw/zinc/54/03/08/575540308.db2.gz OXGIICOOZXOPNM-VHSXEESVSA-N -1 3 256.313 1.819 20 30 CDEDHM C[C@@H](N[C@@H](C)CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000735963846 575540310 /nfs/dbraw/zinc/54/03/10/575540310.db2.gz OXGIICOOZXOPNM-VHSXEESVSA-N -1 3 256.313 1.819 20 30 CDEDHM C[C@@H](Nc1nccnc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736138743 575576081 /nfs/dbraw/zinc/57/60/81/575576081.db2.gz RBKQZLAKJXVNOX-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@H](Nc1nccnc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736138743 575576082 /nfs/dbraw/zinc/57/60/82/575576082.db2.gz RBKQZLAKJXVNOX-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM N#Cc1ccc(OCCn2ccc(C=N[O-])nc2=O)cc1 ZINC000736303260 575617328 /nfs/dbraw/zinc/61/73/28/575617328.db2.gz VYROHRKHBAALAB-UHFFFAOYSA-N -1 3 284.275 1.002 20 30 CDEDHM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCCO1 ZINC000736810240 575755891 /nfs/dbraw/zinc/75/58/91/575755891.db2.gz SYVMWPWOJLEZAS-RISCZKNCSA-N -1 3 274.320 1.795 20 30 CDEDHM Cc1cc(N=NCc2ccc(-c3nnn[n-]3)cc2)ncn1 ZINC000737280522 575933491 /nfs/dbraw/zinc/93/34/91/575933491.db2.gz 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/nfs/dbraw/zinc/13/76/57/577137657.db2.gz VKSHPTDMGCSVMJ-UHFFFAOYSA-N -1 3 270.716 1.720 20 30 CDEDHM C#CCCCNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000819693489 599191504 /nfs/dbraw/zinc/19/15/04/599191504.db2.gz SKSHVCGKGJFSGV-UHFFFAOYSA-N -1 3 283.335 1.329 20 30 CDEDHM C#CCCCNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000819693489 599191506 /nfs/dbraw/zinc/19/15/06/599191506.db2.gz SKSHVCGKGJFSGV-UHFFFAOYSA-N -1 3 283.335 1.329 20 30 CDEDHM C=CCNC(=S)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819750670 599237258 /nfs/dbraw/zinc/23/72/58/599237258.db2.gz JHFKKQQNZFNUKN-VIFPVBQESA-N -1 3 288.380 1.578 20 30 CDEDHM C=CCNC(=S)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819750670 599237261 /nfs/dbraw/zinc/23/72/61/599237261.db2.gz JHFKKQQNZFNUKN-VIFPVBQESA-N -1 3 288.380 1.578 20 30 CDEDHM CN(CCC#N)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821597592 607302854 /nfs/dbraw/zinc/30/28/54/607302854.db2.gz AMNAPCHMYILFOZ-UHFFFAOYSA-N -1 3 264.239 1.495 20 30 CDEDHM CN(CCC#N)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821597592 607302855 /nfs/dbraw/zinc/30/28/55/607302855.db2.gz AMNAPCHMYILFOZ-UHFFFAOYSA-N -1 3 264.239 1.495 20 30 CDEDHM C[C@@H](C#N)CNN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000819856326 607325358 /nfs/dbraw/zinc/32/53/58/607325358.db2.gz IHJWBGRTZBPSSY-JTQLQIEISA-N -1 3 295.350 1.656 20 30 CDEDHM C[C@@H](C#N)CNN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000819856326 607325359 /nfs/dbraw/zinc/32/53/59/607325359.db2.gz IHJWBGRTZBPSSY-JTQLQIEISA-N -1 3 295.350 1.656 20 30 CDEDHM CC#CCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819766330 599651804 /nfs/dbraw/zinc/65/18/04/599651804.db2.gz WUSCZLPSFOROMT-HJWRWDBZSA-N -1 3 268.276 1.446 20 30 CDEDHM CC#CCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819766330 599651805 /nfs/dbraw/zinc/65/18/05/599651805.db2.gz WUSCZLPSFOROMT-HJWRWDBZSA-N -1 3 268.276 1.446 20 30 CDEDHM C#CCCCOC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823841773 607398781 /nfs/dbraw/zinc/39/87/81/607398781.db2.gz SIQNLZHJBHQEPR-UHFFFAOYSA-N -1 3 270.292 1.745 20 30 CDEDHM C#CCCCOC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823841773 607398782 /nfs/dbraw/zinc/39/87/82/607398782.db2.gz SIQNLZHJBHQEPR-UHFFFAOYSA-N -1 3 270.292 1.745 20 30 CDEDHM C[C@@]1(C(=O)[O-])CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000828020154 601946551 /nfs/dbraw/zinc/94/65/51/601946551.db2.gz LARLIIZIHWQZMD-CQSZACIVSA-N -1 3 293.367 1.126 20 30 CDEDHM C#CCCOC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001602712091 1175368750 /nfs/dbraw/zinc/36/87/50/1175368750.db2.gz DPNLEXIXATVUDW-UHFFFAOYSA-N -1 3 285.307 1.159 20 30 CDEDHM C#CCCOC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001602712091 1175368753 /nfs/dbraw/zinc/36/87/53/1175368753.db2.gz DPNLEXIXATVUDW-UHFFFAOYSA-N -1 3 285.307 1.159 20 30 CDEDHM C#CCN(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001602717798 1175372173 /nfs/dbraw/zinc/37/21/73/1175372173.db2.gz BSBYXXJUTQZTIL-UHFFFAOYSA-N -1 3 254.297 1.172 20 30 CDEDHM C#CCN(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001602717798 1175372181 /nfs/dbraw/zinc/37/21/81/1175372181.db2.gz BSBYXXJUTQZTIL-UHFFFAOYSA-N -1 3 254.297 1.172 20 30 CDEDHM C=CC[C@H](CO)CNCc1cc(C(=O)[O-])c(C)o1 ZINC000833370793 605122136 /nfs/dbraw/zinc/12/21/36/605122136.db2.gz NFLPONJWBVSWDQ-JTQLQIEISA-N -1 3 253.298 1.560 20 30 CDEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CC2)ccc1-c1nnn[n-]1 ZINC000822823431 606255513 /nfs/dbraw/zinc/25/55/13/606255513.db2.gz PWYNTHOUWBNDBH-QWHCGFSZSA-N -1 3 294.318 1.723 20 30 CDEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CC2)ccc1-c1nn[n-]n1 ZINC000822823431 606255514 /nfs/dbraw/zinc/25/55/14/606255514.db2.gz PWYNTHOUWBNDBH-QWHCGFSZSA-N -1 3 294.318 1.723 20 30 CDEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822801920 606299932 /nfs/dbraw/zinc/29/99/32/606299932.db2.gz QZBZLNGEOSEUNS-NEPJUHHUSA-N -1 3 282.307 1.289 20 30 CDEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822801920 606299933 /nfs/dbraw/zinc/29/99/33/606299933.db2.gz QZBZLNGEOSEUNS-NEPJUHHUSA-N -1 3 282.307 1.289 20 30 CDEDHM C=C[C@@H](C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000819729487 606798316 /nfs/dbraw/zinc/79/83/16/606798316.db2.gz HIMWSPAJIKAEBK-MRVPVSSYSA-N -1 3 290.302 1.380 20 30 CDEDHM C=C[C@@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000819729487 606798318 /nfs/dbraw/zinc/79/83/18/606798318.db2.gz HIMWSPAJIKAEBK-MRVPVSSYSA-N -1 3 290.302 1.380 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000819697471 606831138 /nfs/dbraw/zinc/83/11/38/606831138.db2.gz FZXNYNRVAPJUQS-UHFFFAOYSA-N -1 3 295.346 1.885 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819697471 606831139 /nfs/dbraw/zinc/83/11/39/606831139.db2.gz FZXNYNRVAPJUQS-UHFFFAOYSA-N -1 3 295.346 1.885 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@H]2CC23CCC3)cc1-c1nnn[n-]1 ZINC000822830108 607144612 /nfs/dbraw/zinc/14/46/12/607144612.db2.gz UYIHBBPPFOIMPS-GFCCVEGCSA-N -1 3 294.318 1.867 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@H]2CC23CCC3)cc1-c1nn[n-]n1 ZINC000822830108 607144614 /nfs/dbraw/zinc/14/46/14/607144614.db2.gz UYIHBBPPFOIMPS-GFCCVEGCSA-N -1 3 294.318 1.867 20 30 CDEDHM C=CCOCC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000823925688 607796379 /nfs/dbraw/zinc/79/63/79/607796379.db2.gz OCRABLZVECCBPK-UHFFFAOYSA-N -1 3 287.323 1.422 20 30 CDEDHM C=CCOCC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000823925688 607796380 /nfs/dbraw/zinc/79/63/80/607796380.db2.gz OCRABLZVECCBPK-UHFFFAOYSA-N -1 3 287.323 1.422 20 30 CDEDHM Cn1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000826358530 607916966 /nfs/dbraw/zinc/91/69/66/607916966.db2.gz XLKLICPVJWBMQX-HWKANZROSA-N -1 3 298.281 1.635 20 30 CDEDHM Cn1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000826358530 607916967 /nfs/dbraw/zinc/91/69/67/607916967.db2.gz XLKLICPVJWBMQX-HWKANZROSA-N -1 3 298.281 1.635 20 30 CDEDHM CN(CCC#N)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825914530 608219794 /nfs/dbraw/zinc/21/97/94/608219794.db2.gz ISXHSRXIOOQEEZ-UHFFFAOYSA-N -1 3 279.307 1.765 20 30 CDEDHM CN(CCC#N)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825914530 608219796 /nfs/dbraw/zinc/21/97/96/608219796.db2.gz ISXHSRXIOOQEEZ-UHFFFAOYSA-N -1 3 279.307 1.765 20 30 CDEDHM C=CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823903524 608266697 /nfs/dbraw/zinc/26/66/97/608266697.db2.gz CHNAACGZOZRBCA-UHFFFAOYSA-N -1 3 298.350 1.456 20 30 CDEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC000826359886 609133930 /nfs/dbraw/zinc/13/39/30/609133930.db2.gz SCFKFCDFLJZYOE-GORDUTHDSA-N -1 3 298.281 1.635 20 30 CDEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC000826359886 609133932 /nfs/dbraw/zinc/13/39/32/609133932.db2.gz SCFKFCDFLJZYOE-GORDUTHDSA-N -1 3 298.281 1.635 20 30 CDEDHM C=C(C)CN(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823873632 609334558 /nfs/dbraw/zinc/33/45/58/609334558.db2.gz OMLXTMQCJLRSPK-UHFFFAOYSA-N -1 3 272.312 1.907 20 30 CDEDHM C=C(C)CN(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823873632 609334560 /nfs/dbraw/zinc/33/45/60/609334560.db2.gz OMLXTMQCJLRSPK-UHFFFAOYSA-N -1 3 272.312 1.907 20 30 CDEDHM CC(C)(C#N)CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824059183 609429370 /nfs/dbraw/zinc/42/93/70/609429370.db2.gz NXTHPTJZHKRUHI-BQYQJAHWSA-N -1 3 296.334 1.546 20 30 CDEDHM CC(C)(C#N)CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824059183 609429372 /nfs/dbraw/zinc/42/93/72/609429372.db2.gz NXTHPTJZHKRUHI-BQYQJAHWSA-N -1 3 296.334 1.546 20 30 CDEDHM C=CCOCCNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000823932356 609586056 /nfs/dbraw/zinc/58/60/56/609586056.db2.gz VLPLQHFQNMPQNS-UHFFFAOYSA-N -1 3 294.746 1.838 20 30 CDEDHM C=CCOCCNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000823932356 609586058 /nfs/dbraw/zinc/58/60/58/609586058.db2.gz VLPLQHFQNMPQNS-UHFFFAOYSA-N -1 3 294.746 1.838 20 30 CDEDHM CCN(CC#N)Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000891777443 617582266 /nfs/dbraw/zinc/58/22/66/617582266.db2.gz BALHNNVWXXKKNI-UHFFFAOYSA-N -1 3 265.269 1.654 20 30 CDEDHM [O-]c1ccc(F)c(C=NN2CCC[C@@H]2CO)c1F ZINC000841657450 617713253 /nfs/dbraw/zinc/71/32/53/617713253.db2.gz LWHKJZSFZZKKRO-MRVPVSSYSA-N -1 3 256.252 1.461 20 30 CDEDHM CC(=NN[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1[O-] ZINC000839383008 618348396 /nfs/dbraw/zinc/34/83/96/618348396.db2.gz RXYHJFWGHRKJTL-JTQLQIEISA-N -1 3 286.328 1.032 20 30 CDEDHM Cc1ncc(CO)c(/C=N\[C@H]2C[C@@H](OC(C)C)C2)c1[O-] ZINC000840711973 620376487 /nfs/dbraw/zinc/37/64/87/620376487.db2.gz URSYPPPYULRVGO-KVUXKXQGSA-N -1 3 278.352 1.963 20 30 CDEDHM C=CCCC[C@H](N)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000900456793 623083692 /nfs/dbraw/zinc/08/36/92/623083692.db2.gz MOEYMMZXQDIIKJ-DCAQKATOSA-N -1 3 256.346 1.286 20 30 CDEDHM C=CCCC[C@@H](N)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000900462600 623090815 /nfs/dbraw/zinc/09/08/15/623090815.db2.gz MELRUOPNLSVGSX-QWHCGFSZSA-N -1 3 282.384 1.916 20 30 CDEDHM CC(=NNCC(C)(C)CO)c1ccc(F)c([O-])c1 ZINC000901236098 624026432 /nfs/dbraw/zinc/02/64/32/624026432.db2.gz NQFBLGUZKWGIFH-UHFFFAOYSA-N -1 3 254.305 1.863 20 30 CDEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ncn1 ZINC000901371681 624203335 /nfs/dbraw/zinc/20/33/35/624203335.db2.gz HGYNXTHDOOCFSV-UHFFFAOYSA-N -1 3 261.256 1.956 20 30 CDEDHM C#CCOc1cccc(Cl)c1CN[C@H](C)C(=O)[O-] ZINC000901463120 624280379 /nfs/dbraw/zinc/28/03/79/624280379.db2.gz AMFYJEREVSIJQC-SECBINFHSA-N -1 3 267.712 1.915 20 30 CDEDHM CCCCN([O-])C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000904207805 626212966 /nfs/dbraw/zinc/21/29/66/626212966.db2.gz CHWVDSATXASLGW-LLVKDONJSA-N -1 3 292.335 1.818 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000904208592 626213107 /nfs/dbraw/zinc/21/31/07/626213107.db2.gz BRGCCWYXBKKFFY-ZDUSSCGKSA-N -1 3 297.399 1.932 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000904209094 626213948 /nfs/dbraw/zinc/21/39/48/626213948.db2.gz UABKMIURPHSGDI-NSHDSACASA-N -1 3 256.346 1.509 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC000904212957 626226510 /nfs/dbraw/zinc/22/65/10/626226510.db2.gz ZTNKMBFRHBYDIX-SECBINFHSA-N -1 3 269.349 1.550 20 30 CDEDHM C=CC[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000905195857 626671929 /nfs/dbraw/zinc/67/19/29/626671929.db2.gz VRNJRZYNEUQDIC-QGZVFWFLSA-N -1 3 266.244 1.636 20 30 CDEDHM C=CCC[C@H](NC(=O)C1(N(C)C)CCC1)C(=O)[O-] ZINC000909715771 628639315 /nfs/dbraw/zinc/63/93/15/628639315.db2.gz OLPAUUXUBXFKBW-JTQLQIEISA-N -1 3 254.330 1.006 20 30 CDEDHM COc1cc(CN=Nc2ncccn2)c([N+](=O)[O-])cc1[O-] ZINC000912974320 630317012 /nfs/dbraw/zinc/31/70/12/630317012.db2.gz QJNSNMFEEKMUOR-UHFFFAOYSA-N -1 3 289.251 1.545 20 30 CDEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cnc(OC)s1 ZINC000915199877 631668715 /nfs/dbraw/zinc/66/87/15/631668715.db2.gz SKDKFKRGURHUCG-MRVPVSSYSA-N -1 3 276.383 1.785 20 30 CDEDHM COc1ccc(C=NN2CC(=O)[N-]C2=O)c2ccccc12 ZINC000915956040 631872988 /nfs/dbraw/zinc/87/29/88/631872988.db2.gz NOLAKFXPHCSGFT-UHFFFAOYSA-N -1 3 283.287 1.734 20 30 CDEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)o1)[C@H](C)COC ZINC001602851882 1175435619 /nfs/dbraw/zinc/43/56/19/1175435619.db2.gz AUQALLXPRNCKGJ-SNVBAGLBSA-N -1 3 277.328 1.483 20 30 CDEDHM N#C[C@@H]([N-]S(=O)(=O)c1cccnc1)c1ccccc1 ZINC000040365705 1158565286 /nfs/dbraw/zinc/56/52/86/1158565286.db2.gz NBYPJNIRONVLBV-CYBMUJFWSA-N -1 3 273.317 1.625 20 30 CDEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001604273961 1163139660 /nfs/dbraw/zinc/13/96/60/1163139660.db2.gz BAMBBCOPSABZSV-SNVBAGLBSA-N -1 3 298.350 1.797 20 30 CDEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001604273961 1163139664 /nfs/dbraw/zinc/13/96/64/1163139664.db2.gz BAMBBCOPSABZSV-SNVBAGLBSA-N -1 3 298.350 1.797 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)Nc1cccc(C#N)c1 ZINC001605453890 1163572129 /nfs/dbraw/zinc/57/21/29/1163572129.db2.gz FIXZAPLLFJMGQG-UHFFFAOYSA-N -1 3 293.290 1.627 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)Nc1cccc(C#N)c1 ZINC001605453890 1163572134 /nfs/dbraw/zinc/57/21/34/1163572134.db2.gz FIXZAPLLFJMGQG-UHFFFAOYSA-N -1 3 293.290 1.627 20 30 CDEDHM Cc1cc(C(=O)OCC2(C#N)CCC2)ncc1-c1nnn[n-]1 ZINC001605629843 1163628655 /nfs/dbraw/zinc/62/86/55/1163628655.db2.gz GACUYFKNHKBTAC-UHFFFAOYSA-N -1 3 298.306 1.421 20 30 CDEDHM Cc1cc(C(=O)OCC2(C#N)CCC2)ncc1-c1nn[n-]n1 ZINC001605629843 1163628660 /nfs/dbraw/zinc/62/86/60/1163628660.db2.gz GACUYFKNHKBTAC-UHFFFAOYSA-N -1 3 298.306 1.421 20 30 CDEDHM Cc1c(C(=O)[O-])cc(CNCC2(CC#N)CC2)n1C ZINC001607516709 1164215449 /nfs/dbraw/zinc/21/54/49/1164215449.db2.gz GOZHYFFZCUPTAA-UHFFFAOYSA-N -1 3 261.325 1.815 20 30 CDEDHM C=C[C@@H](C(=O)OC)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609052244 1164745041 /nfs/dbraw/zinc/74/50/41/1164745041.db2.gz UDHXZZFAOMGEMX-LBPRGKRZSA-N -1 3 287.323 1.026 20 30 CDEDHM C=C[C@@H](C(=O)OC)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609052244 1164745046 /nfs/dbraw/zinc/74/50/46/1164745046.db2.gz UDHXZZFAOMGEMX-LBPRGKRZSA-N -1 3 287.323 1.026 20 30 CDEDHM C=C(C)CCc1noc(-c2ccc(-c3nnn[n-]3)n2C)n1 ZINC001609050971 1164745433 /nfs/dbraw/zinc/74/54/33/1164745433.db2.gz JVSHYZOUQVZDDS-UHFFFAOYSA-N -1 3 285.311 1.764 20 30 CDEDHM C=C(C)CCc1noc(-c2ccc(-c3nn[n-]n3)n2C)n1 ZINC001609050971 1164745437 /nfs/dbraw/zinc/74/54/37/1164745437.db2.gz JVSHYZOUQVZDDS-UHFFFAOYSA-N -1 3 285.311 1.764 20 30 CDEDHM C[C@H](C#N)C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001609067306 1164754634 /nfs/dbraw/zinc/75/46/34/1164754634.db2.gz FHJDHLGZOBODCD-PRHODGIISA-N -1 3 282.307 1.130 20 30 CDEDHM C=C[C@H](NCc1cccc(C(=O)N(C)C)c1)C(=O)[O-] ZINC001609272257 1164875529 /nfs/dbraw/zinc/87/55/29/1164875529.db2.gz LNRYHLLWEQFPQV-LBPRGKRZSA-N -1 3 262.309 1.117 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1CN(C)[C@@H](C)CC#N ZINC001609388564 1164922916 /nfs/dbraw/zinc/92/29/16/1164922916.db2.gz ZMFLLEUZTSPAIL-NSHDSACASA-N -1 3 270.340 1.909 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1CN(C)[C@@H](C)CC#N ZINC001609388564 1164922919 /nfs/dbraw/zinc/92/29/19/1164922919.db2.gz ZMFLLEUZTSPAIL-NSHDSACASA-N -1 3 270.340 1.909 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCOC(C)(C)C ZINC001609446691 1164954332 /nfs/dbraw/zinc/95/43/32/1164954332.db2.gz MTTBCMWWBLLPPV-UHFFFAOYSA-N -1 3 275.316 1.058 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCOC(C)(C)C ZINC001609446691 1164954339 /nfs/dbraw/zinc/95/43/39/1164954339.db2.gz MTTBCMWWBLLPPV-UHFFFAOYSA-N -1 3 275.316 1.058 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc2cccnc2c1 ZINC000868561936 1164961840 /nfs/dbraw/zinc/96/18/40/1164961840.db2.gz AIMVPVFKAUOQEL-GFCCVEGCSA-N -1 3 285.303 1.345 20 30 CDEDHM N#Cc1cnc(Sc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC001609500605 1164978690 /nfs/dbraw/zinc/97/86/90/1164978690.db2.gz MAAMWRIGXLGEFO-UHFFFAOYSA-N -1 3 299.294 1.819 20 30 CDEDHM N#Cc1cnc(Sc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC001609500605 1164978702 /nfs/dbraw/zinc/97/87/02/1164978702.db2.gz MAAMWRIGXLGEFO-UHFFFAOYSA-N -1 3 299.294 1.819 20 30 CDEDHM O=C(C#CC1CC1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC001609514873 1164981345 /nfs/dbraw/zinc/98/13/45/1164981345.db2.gz FETLRGUAIQUBSZ-UHFFFAOYSA-N -1 3 286.266 1.462 20 30 CDEDHM O=C(C#CC1CC1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC001609514873 1164981347 /nfs/dbraw/zinc/98/13/47/1164981347.db2.gz FETLRGUAIQUBSZ-UHFFFAOYSA-N -1 3 286.266 1.462 20 30 CDEDHM N#Cc1cccc(NC(=O)CN2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])c1 ZINC001574249895 1170929835 /nfs/dbraw/zinc/92/98/35/1170929835.db2.gz NZKNPMOQQMNIPB-LNSITVRQSA-N -1 3 299.330 1.434 20 30 CDEDHM Cc1c(N)cccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC001579538360 1172209072 /nfs/dbraw/zinc/20/90/72/1172209072.db2.gz UMPLFUGOAUIEQX-NSHDSACASA-N -1 3 278.312 1.079 20 30 CDEDHM N#Cc1cccc(CNc2cccc(-c3nnn[n-]3)c2)n1 ZINC001581875068 1172627293 /nfs/dbraw/zinc/62/72/93/1172627293.db2.gz UMCHVZGFCRSZJD-UHFFFAOYSA-N -1 3 277.291 1.745 20 30 CDEDHM N#Cc1cccc(CNc2cccc(-c3nn[n-]n3)c2)n1 ZINC001581875068 1172627297 /nfs/dbraw/zinc/62/72/97/1172627297.db2.gz UMCHVZGFCRSZJD-UHFFFAOYSA-N -1 3 277.291 1.745 20 30 CDEDHM C#C[C@@H](CC)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588327321 1173026507 /nfs/dbraw/zinc/02/65/07/1173026507.db2.gz HCABHMKIJJLGLX-PRDAAYKISA-N -1 3 282.303 1.835 20 30 CDEDHM C#C[C@@H](CC)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588327321 1173026513 /nfs/dbraw/zinc/02/65/13/1173026513.db2.gz HCABHMKIJJLGLX-PRDAAYKISA-N -1 3 282.303 1.835 20 30 CDEDHM C#C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588326478 1173028000 /nfs/dbraw/zinc/02/80/00/1173028000.db2.gz MYJRFNYFIMPLEX-SSDOTTSWSA-N -1 3 275.699 1.272 20 30 CDEDHM C#C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588326478 1173028007 /nfs/dbraw/zinc/02/80/07/1173028007.db2.gz MYJRFNYFIMPLEX-SSDOTTSWSA-N -1 3 275.699 1.272 20 30 CDEDHM C#C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)[nH]c1C)C1CC1 ZINC001588328364 1173029920 /nfs/dbraw/zinc/02/99/20/1173029920.db2.gz FOVOVWZYGQNVLC-LLVKDONJSA-N -1 3 271.280 1.072 20 30 CDEDHM C#C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)[nH]c1C)C1CC1 ZINC001588328364 1173029926 /nfs/dbraw/zinc/02/99/26/1173029926.db2.gz FOVOVWZYGQNVLC-LLVKDONJSA-N -1 3 271.280 1.072 20 30 CDEDHM C#C[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CCOCC1 ZINC001588328963 1173030479 /nfs/dbraw/zinc/03/04/79/1173030479.db2.gz UXSHMTXINHCJFI-GFCCVEGCSA-N -1 3 284.323 1.102 20 30 CDEDHM C#C[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CCOCC1 ZINC001588328963 1173030485 /nfs/dbraw/zinc/03/04/85/1173030485.db2.gz UXSHMTXINHCJFI-GFCCVEGCSA-N -1 3 284.323 1.102 20 30 CDEDHM C#C[C@H](NC(=O)c1csc(-c2nnn[n-]2)c1)C(C)C ZINC001588329416 1173031735 /nfs/dbraw/zinc/03/17/35/1173031735.db2.gz GCAFXUCJEIWUKV-VIFPVBQESA-N -1 3 275.337 1.316 20 30 CDEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588331898 1173035088 /nfs/dbraw/zinc/03/50/88/1173035088.db2.gz FAJRFQBYZYZAEX-LLVKDONJSA-N -1 3 299.309 1.634 20 30 CDEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588331898 1173035093 /nfs/dbraw/zinc/03/50/93/1173035093.db2.gz FAJRFQBYZYZAEX-LLVKDONJSA-N -1 3 299.309 1.634 20 30 CDEDHM C#CCCOC(=O)Oc1cc(-c2nnn[n-]2)ccc1C ZINC001588347665 1173045838 /nfs/dbraw/zinc/04/58/38/1173045838.db2.gz SPFACKBVSAAUJC-UHFFFAOYSA-N -1 3 272.264 1.714 20 30 CDEDHM C#CCCOC(=O)Oc1cc(-c2nn[n-]n2)ccc1C ZINC001588347665 1173045845 /nfs/dbraw/zinc/04/58/45/1173045845.db2.gz SPFACKBVSAAUJC-UHFFFAOYSA-N -1 3 272.264 1.714 20 30 CDEDHM C#CCN(CC1CC1)C(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588350500 1173051770 /nfs/dbraw/zinc/05/17/70/1173051770.db2.gz AJHHGBSHUAXVGX-UHFFFAOYSA-N -1 3 295.346 1.661 20 30 CDEDHM C#CCN(CC1CC1)C(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588350500 1173051775 /nfs/dbraw/zinc/05/17/75/1173051775.db2.gz AJHHGBSHUAXVGX-UHFFFAOYSA-N -1 3 295.346 1.661 20 30 CDEDHM C=C[C@@H](Sc1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC001588526281 1173073793 /nfs/dbraw/zinc/07/37/93/1173073793.db2.gz UUIQCARNXXECHR-MRVPVSSYSA-N -1 3 294.311 1.826 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588563900 1173083841 /nfs/dbraw/zinc/08/38/41/1173083841.db2.gz DUSLCXKCRNSMSI-AWEZNQCLSA-N -1 3 297.362 1.976 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588563900 1173083844 /nfs/dbraw/zinc/08/38/44/1173083844.db2.gz DUSLCXKCRNSMSI-AWEZNQCLSA-N -1 3 297.362 1.976 20 30 CDEDHM C=CCN(CCC#N)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001588632682 1173094870 /nfs/dbraw/zinc/09/48/70/1173094870.db2.gz YSFBLDFFGSFZEN-UHFFFAOYSA-N -1 3 286.314 1.907 20 30 CDEDHM C=CCN(CCC#N)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001588632682 1173094874 /nfs/dbraw/zinc/09/48/74/1173094874.db2.gz YSFBLDFFGSFZEN-UHFFFAOYSA-N -1 3 286.314 1.907 20 30 CDEDHM CC#CC[C@H](CO)Nc1cc(-c2nnn[n-]2)ccc1C(C)=O ZINC001588738665 1173102498 /nfs/dbraw/zinc/10/24/98/1173102498.db2.gz QCBVCHNAPWQAHS-GFCCVEGCSA-N -1 3 299.334 1.256 20 30 CDEDHM CC#CC[C@H](CO)Nc1cc(-c2nn[n-]n2)ccc1C(C)=O ZINC001588738665 1173102500 /nfs/dbraw/zinc/10/25/00/1173102500.db2.gz QCBVCHNAPWQAHS-GFCCVEGCSA-N -1 3 299.334 1.256 20 30 CDEDHM C[C@@H](C#N)N(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588933940 1173114621 /nfs/dbraw/zinc/11/46/21/1173114621.db2.gz BYWVUMPRBJJOBX-JTQLQIEISA-N -1 3 284.323 1.170 20 30 CDEDHM C[C@@H](C#N)N(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588933940 1173114622 /nfs/dbraw/zinc/11/46/22/1173114622.db2.gz BYWVUMPRBJJOBX-JTQLQIEISA-N -1 3 284.323 1.170 20 30 CDEDHM C[C@@H](C#N)OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588934886 1173117022 /nfs/dbraw/zinc/11/70/22/1173117022.db2.gz YLYALGFOUAGYIW-LURJTMIESA-N -1 3 277.671 1.589 20 30 CDEDHM C[C@@H](C#N)OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588934886 1173117024 /nfs/dbraw/zinc/11/70/24/1173117024.db2.gz YLYALGFOUAGYIW-LURJTMIESA-N -1 3 277.671 1.589 20 30 CDEDHM C[C@@H](CC#N)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589786794 1173179263 /nfs/dbraw/zinc/17/92/63/1173179263.db2.gz DITBXNJUHZPYPC-JTQLQIEISA-N -1 3 296.334 1.317 20 30 CDEDHM C[C@@H](CC#N)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589786794 1173179268 /nfs/dbraw/zinc/17/92/68/1173179268.db2.gz DITBXNJUHZPYPC-JTQLQIEISA-N -1 3 296.334 1.317 20 30 CDEDHM C[C@@H](CC#N)Nc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001589787208 1173181827 /nfs/dbraw/zinc/18/18/27/1173181827.db2.gz HPUQITWFNVNSBV-QMMMGPOBSA-N -1 3 280.295 1.524 20 30 CDEDHM C[C@@H](CC#N)Nc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001589787208 1173181830 /nfs/dbraw/zinc/18/18/30/1173181830.db2.gz HPUQITWFNVNSBV-QMMMGPOBSA-N -1 3 280.295 1.524 20 30 CDEDHM C[C@@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)CO1 ZINC001590181189 1173281019 /nfs/dbraw/zinc/28/10/19/1173281019.db2.gz MAZJRGGZOOSOEB-SECBINFHSA-N -1 3 272.312 1.121 20 30 CDEDHM C[C@@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001590181189 1173281023 /nfs/dbraw/zinc/28/10/23/1173281023.db2.gz MAZJRGGZOOSOEB-SECBINFHSA-N -1 3 272.312 1.121 20 30 CDEDHM CC[C@@H](C#N)OC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590367643 1173375781 /nfs/dbraw/zinc/37/57/81/1173375781.db2.gz GDZQAUPLAPRVQC-GWCFXTLKSA-N -1 3 299.334 1.891 20 30 CDEDHM CC[C@@H](C#N)OC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590367643 1173375795 /nfs/dbraw/zinc/37/57/95/1173375795.db2.gz GDZQAUPLAPRVQC-GWCFXTLKSA-N -1 3 299.334 1.891 20 30 CDEDHM CC[C@H]1COCC1N=Nc1ccc(-c2nnn[n-]2)cn1 ZINC001590524333 1173452228 /nfs/dbraw/zinc/45/22/28/1173452228.db2.gz PPSJULCMVPJNIT-QMMMGPOBSA-N -1 3 273.300 1.086 20 30 CDEDHM CC[C@H]1COCC1N=Nc1ccc(-c2nn[n-]n2)cn1 ZINC001590524333 1173452235 /nfs/dbraw/zinc/45/22/35/1173452235.db2.gz PPSJULCMVPJNIT-QMMMGPOBSA-N -1 3 273.300 1.086 20 30 CDEDHM CN(CC(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1F ZINC001591042643 1173564815 /nfs/dbraw/zinc/56/48/15/1173564815.db2.gz QRXQSRQHRZADTO-UHFFFAOYSA-N -1 3 274.303 1.992 20 30 CDEDHM CN(CCC#N)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591062246 1173569161 /nfs/dbraw/zinc/56/91/61/1173569161.db2.gz SCNVFZVXGTWOMA-UHFFFAOYSA-N -1 3 273.256 1.125 20 30 CDEDHM CN(CCC#N)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591062246 1173569167 /nfs/dbraw/zinc/56/91/67/1173569167.db2.gz SCNVFZVXGTWOMA-UHFFFAOYSA-N -1 3 273.256 1.125 20 30 CDEDHM Cc1c(NCCO[C@@H](C)C#N)cccc1-c1nnn[n-]1 ZINC001591829494 1173712972 /nfs/dbraw/zinc/71/29/72/1173712972.db2.gz JJMNKFFRAMPCKK-VIFPVBQESA-N -1 3 272.312 1.516 20 30 CDEDHM Cc1c(NCCO[C@@H](C)C#N)cccc1-c1nn[n-]n1 ZINC001591829494 1173712975 /nfs/dbraw/zinc/71/29/75/1173712975.db2.gz JJMNKFFRAMPCKK-VIFPVBQESA-N -1 3 272.312 1.516 20 30 CDEDHM Cc1cc(CN=Nc2ccn(C)n2)ccc1-c1nn[n-]n1 ZINC001591958663 1173756175 /nfs/dbraw/zinc/75/61/75/1173756175.db2.gz JHICCAFJROBKKW-UHFFFAOYSA-N -1 3 282.311 1.355 20 30 CDEDHM N#CCCCOC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001592676225 1173965440 /nfs/dbraw/zinc/96/54/40/1173965440.db2.gz GZTZPMFJLXPKIT-QWHCGFSZSA-N -1 3 297.318 1.817 20 30 CDEDHM N#CCCCOC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001592676225 1173965446 /nfs/dbraw/zinc/96/54/46/1173965446.db2.gz GZTZPMFJLXPKIT-QWHCGFSZSA-N -1 3 297.318 1.817 20 30 CDEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC/C=C/Cl ZINC001592685836 1173972516 /nfs/dbraw/zinc/97/25/16/1173972516.db2.gz AREJPNMDKJGLRK-OWOJBTEDSA-N -1 3 293.743 1.560 20 30 CDEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC/C=C/Cl ZINC001592685836 1173972524 /nfs/dbraw/zinc/97/25/24/1173972524.db2.gz AREJPNMDKJGLRK-OWOJBTEDSA-N -1 3 293.743 1.560 20 30 CDEDHM N#Cc1ccc(NC(=O)c2ccncc2)cc1-c1nnn[n-]1 ZINC001592696287 1173975417 /nfs/dbraw/zinc/97/54/17/1173975417.db2.gz VYEMFHQSTKQZRL-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1ccc(NC(=O)c2ccncc2)cc1-c1nn[n-]n1 ZINC001592696287 1173975420 /nfs/dbraw/zinc/97/54/20/1173975420.db2.gz VYEMFHQSTKQZRL-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1nccnc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592709976 1173980475 /nfs/dbraw/zinc/98/04/75/1173980475.db2.gz QHSYZBHCLATOQX-UHFFFAOYSA-N -1 3 290.290 1.049 20 30 CDEDHM N#Cc1nccnc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592709976 1173980483 /nfs/dbraw/zinc/98/04/83/1173980483.db2.gz QHSYZBHCLATOQX-UHFFFAOYSA-N -1 3 290.290 1.049 20 30 CDEDHM O=C(NO)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001593167119 1174029522 /nfs/dbraw/zinc/02/95/22/1174029522.db2.gz QFYXIHWNGKWJNS-UHFFFAOYSA-N -1 3 297.274 1.778 20 30 CDEDHM c1cc2n(c1)CCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC001593561762 1174139037 /nfs/dbraw/zinc/13/90/37/1174139037.db2.gz XCVUBGQOAOJPJT-UHFFFAOYSA-N -1 3 279.307 1.888 20 30 CDEDHM Cc1cc(C#N)ccc1C(=O)O[C@H]1C[C@H](C(=O)[O-])N(C)C1 ZINC001600075270 1174352793 /nfs/dbraw/zinc/35/27/93/1174352793.db2.gz QGAZCVYUNPDNAM-WCQYABFASA-N -1 3 288.303 1.181 20 30 CDEDHM Cn1ccnc1C(C#N)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001600982014 1174690944 /nfs/dbraw/zinc/69/09/44/1174690944.db2.gz SJECGQDXUUBMCZ-IVZWLZJFSA-N -1 3 261.281 1.097 20 30 CDEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCN(CC3CC3)CC2)c1 ZINC001601117569 1174749518 /nfs/dbraw/zinc/74/95/18/1174749518.db2.gz DBUBOQKSXZRQPF-MRXNPFEDSA-N -1 3 299.374 1.712 20 30 CDEDHM N#Cc1ccnc(CN2C3CCC2(C(=O)[O-])CC3)c1 ZINC001601127569 1174753241 /nfs/dbraw/zinc/75/32/41/1174753241.db2.gz QJRDNFUTAYHJBT-UHFFFAOYSA-N -1 3 257.293 1.535 20 30 CDEDHM C#C[C@](C)(CC)NC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001602690616 1175353698 /nfs/dbraw/zinc/35/36/98/1175353698.db2.gz XSSFMEAIZQBXAR-CYBMUJFWSA-N -1 3 272.312 1.035 20 30 CDEDHM C#C[C@](C)(CC)NC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001602690616 1175353703 /nfs/dbraw/zinc/35/37/03/1175353703.db2.gz XSSFMEAIZQBXAR-CYBMUJFWSA-N -1 3 272.312 1.035 20 30 CDEDHM C#CC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001602697619 1175363688 /nfs/dbraw/zinc/36/36/88/1175363688.db2.gz YMAMFGWSRDVYEN-SECBINFHSA-N -1 3 286.291 1.444 20 30 CDEDHM C#CC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001602697619 1175363693 /nfs/dbraw/zinc/36/36/93/1175363693.db2.gz YMAMFGWSRDVYEN-SECBINFHSA-N -1 3 286.291 1.444 20 30 CDEDHM C#C[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(N)n2)CC1 ZINC001602735622 1175378384 /nfs/dbraw/zinc/37/83/84/1175378384.db2.gz MLLBHZYIIOGOGX-MGCOHNPYSA-N -1 3 283.339 1.448 20 30 CDEDHM C(=NOC1CCC1)c1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001602746870 1175383650 /nfs/dbraw/zinc/38/36/50/1175383650.db2.gz RKUGLHTZGXMIBI-UHFFFAOYSA-N -1 3 283.295 1.417 20 30 CDEDHM C(=NOC1CCC1)c1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001602746870 1175383658 /nfs/dbraw/zinc/38/36/58/1175383658.db2.gz RKUGLHTZGXMIBI-UHFFFAOYSA-N -1 3 283.295 1.417 20 30 CDEDHM C=C[C@@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001602798766 1175405783 /nfs/dbraw/zinc/40/57/83/1175405783.db2.gz ROLIKYICKJZTLC-SNVBAGLBSA-N -1 3 272.308 1.917 20 30 CDEDHM C=C[C@@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001602798766 1175405784 /nfs/dbraw/zinc/40/57/84/1175405784.db2.gz ROLIKYICKJZTLC-SNVBAGLBSA-N -1 3 272.308 1.917 20 30 CDEDHM CC(C)(C#N)CNCc1cccc(F)c1-c1nnn[n-]1 ZINC001603034831 1175480134 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WPMOXDVRFLCIMG-SNVBAGLBSA-N -1 3 284.323 1.030 20 30 CDEDHM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1 ZINC001588329634 1173030258 /nfs/dbraw/zinc/03/02/58/1173030258.db2.gz KHUSDOZCJGKFSZ-NSHDSACASA-N -1 3 292.302 1.299 20 30 CDEDHM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC001588329634 1173030267 /nfs/dbraw/zinc/03/02/67/1173030267.db2.gz KHUSDOZCJGKFSZ-NSHDSACASA-N -1 3 292.302 1.299 20 30 CDEDHM C#CC1(F)CN(C(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC001588328170 1173031781 /nfs/dbraw/zinc/03/17/81/1173031781.db2.gz AFKVUDQSJHCKHP-UHFFFAOYSA-N -1 3 292.299 1.117 20 30 CDEDHM C#CC[C@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC001588336713 1173039564 /nfs/dbraw/zinc/03/95/64/1173039564.db2.gz DVJUNMFJXPCPPJ-NSHDSACASA-N -1 3 294.362 1.600 20 30 CDEDHM C#CC[C@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC001588336713 1173039573 /nfs/dbraw/zinc/03/95/73/1173039573.db2.gz DVJUNMFJXPCPPJ-NSHDSACASA-N -1 3 294.362 1.600 20 30 CDEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001588381637 1173053314 /nfs/dbraw/zinc/05/33/14/1173053314.db2.gz MIHKSDASSXCBGK-UHFFFAOYSA-N -1 3 265.280 1.708 20 30 CDEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001588381637 1173053319 /nfs/dbraw/zinc/05/33/19/1173053319.db2.gz MIHKSDASSXCBGK-UHFFFAOYSA-N -1 3 265.280 1.708 20 30 CDEDHM C=C[C@H](C)NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588515414 1173072228 /nfs/dbraw/zinc/07/22/28/1173072228.db2.gz BYWWAISEHOFHMA-ZANVPECISA-N -1 3 298.350 1.208 20 30 CDEDHM C=C[C@H](C)NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588515414 1173072234 /nfs/dbraw/zinc/07/22/34/1173072234.db2.gz BYWWAISEHOFHMA-ZANVPECISA-N -1 3 298.350 1.208 20 30 CDEDHM C=C[C@H](C)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588515890 1173073193 /nfs/dbraw/zinc/07/31/93/1173073193.db2.gz KCCBIYLKRAQNAB-LURJTMIESA-N -1 3 278.703 1.219 20 30 CDEDHM C=C[C@H](C)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588515890 1173073199 /nfs/dbraw/zinc/07/31/99/1173073199.db2.gz KCCBIYLKRAQNAB-LURJTMIESA-N -1 3 278.703 1.219 20 30 CDEDHM C=CCCN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588603762 1173088644 /nfs/dbraw/zinc/08/86/44/1173088644.db2.gz VECCPZVHIOEJAH-UHFFFAOYSA-N -1 3 274.284 1.787 20 30 CDEDHM C=CCCN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588603762 1173088647 /nfs/dbraw/zinc/08/86/47/1173088647.db2.gz VECCPZVHIOEJAH-UHFFFAOYSA-N -1 3 274.284 1.787 20 30 CDEDHM CC(=NNC[C@H](C)O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588777409 1173105504 /nfs/dbraw/zinc/10/55/04/1173105504.db2.gz SZBYJXFHUGFMEN-ZETCQYMHSA-N -1 3 294.746 1.215 20 30 CDEDHM CC(=NNC[C@H](C)O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588777409 1173105509 /nfs/dbraw/zinc/10/55/09/1173105509.db2.gz SZBYJXFHUGFMEN-ZETCQYMHSA-N -1 3 294.746 1.215 20 30 CDEDHM CC(=NN[C@H](C)CC#N)c1ccccc1-c1nnn[n-]1 ZINC001588776183 1173105607 /nfs/dbraw/zinc/10/56/07/1173105607.db2.gz CMHZPWSNWRJTJP-SECBINFHSA-N -1 3 269.312 1.482 20 30 CDEDHM CC(=NN[C@H](C)CC#N)c1ccccc1-c1nn[n-]n1 ZINC001588776183 1173105610 /nfs/dbraw/zinc/10/56/10/1173105610.db2.gz CMHZPWSNWRJTJP-SECBINFHSA-N -1 3 269.312 1.482 20 30 CDEDHM C[C@H](C#N)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588934479 1173115440 /nfs/dbraw/zinc/11/54/40/1173115440.db2.gz NCZHUIWAUYPSAU-RKDXNWHRSA-N -1 3 287.279 1.089 20 30 CDEDHM C[C@H](CC#N)NCc1cccc(-c2nnn[n-]2)c1F ZINC001589788066 1173181070 /nfs/dbraw/zinc/18/10/70/1173181070.db2.gz SUTIOWDKEZESGY-MRVPVSSYSA-N -1 3 260.276 1.398 20 30 CDEDHM C[C@H](CC#N)NCc1cccc(-c2nn[n-]n2)c1F ZINC001589788066 1173181074 /nfs/dbraw/zinc/18/10/74/1173181074.db2.gz SUTIOWDKEZESGY-MRVPVSSYSA-N -1 3 260.276 1.398 20 30 CDEDHM C[C@H](CC#N)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC001589788151 1173181587 /nfs/dbraw/zinc/18/15/87/1173181587.db2.gz VBNQTDABXQGWFT-SECBINFHSA-N -1 3 271.280 1.460 20 30 CDEDHM C[C@H](CC#N)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC001589788151 1173181588 /nfs/dbraw/zinc/18/15/88/1173181588.db2.gz VBNQTDABXQGWFT-SECBINFHSA-N -1 3 271.280 1.460 20 30 CDEDHM C[C@H](O)C(C)(C)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589993454 1173224006 /nfs/dbraw/zinc/22/40/06/1173224006.db2.gz WNHALSVXMDPLJL-VIFPVBQESA-N -1 3 286.339 1.557 20 30 CDEDHM C[C@H](O)C(C)(C)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589993454 1173224013 /nfs/dbraw/zinc/22/40/13/1173224013.db2.gz WNHALSVXMDPLJL-VIFPVBQESA-N -1 3 286.339 1.557 20 30 CDEDHM C[C@]1(C#N)CCCN(Cc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590055403 1173241397 /nfs/dbraw/zinc/24/13/97/1173241397.db2.gz ROSZHKZDHQGYNT-CQSZACIVSA-N -1 3 283.339 1.387 20 30 CDEDHM C[C@]1(C#N)CCCN(Cc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001590055403 1173241401 /nfs/dbraw/zinc/24/14/01/1173241401.db2.gz ROSZHKZDHQGYNT-CQSZACIVSA-N -1 3 283.339 1.387 20 30 CDEDHM C[C@]1(C#N)CCN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001590054085 1173241541 /nfs/dbraw/zinc/24/15/41/1173241541.db2.gz HZCISXJAGVLGPL-CQSZACIVSA-N -1 3 268.324 1.602 20 30 CDEDHM CCC(=NN[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358634 1173373539 /nfs/dbraw/zinc/37/35/39/1173373539.db2.gz ADPXFKBMONZSGT-GFCCVEGCSA-N -1 3 286.339 1.359 20 30 CDEDHM CCC(=NN[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358634 1173373542 /nfs/dbraw/zinc/37/35/42/1173373542.db2.gz ADPXFKBMONZSGT-GFCCVEGCSA-N -1 3 286.339 1.359 20 30 CDEDHM CN(CC(C)(C)C#N)c1ccc(F)cc1-c1nnn[n-]1 ZINC001591042805 1173564603 /nfs/dbraw/zinc/56/46/03/1173564603.db2.gz XVPZJOCRTHFWBV-UHFFFAOYSA-N -1 3 274.303 1.992 20 30 CDEDHM CN(CC(C)(C)C#N)c1ccc(F)cc1-c1nn[n-]n1 ZINC001591042805 1173564604 /nfs/dbraw/zinc/56/46/04/1173564604.db2.gz XVPZJOCRTHFWBV-UHFFFAOYSA-N -1 3 274.303 1.992 20 30 CDEDHM CO[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)C1CC1 ZINC001591315137 1173600933 /nfs/dbraw/zinc/60/09/33/1173600933.db2.gz FOMDDIAEILSRSS-LBPRGKRZSA-N -1 3 298.306 1.102 20 30 CDEDHM CO[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)C1CC1 ZINC001591315137 1173600940 /nfs/dbraw/zinc/60/09/40/1173600940.db2.gz FOMDDIAEILSRSS-LBPRGKRZSA-N -1 3 298.306 1.102 20 30 CDEDHM CO[C@]1(C)CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591340076 1173617526 /nfs/dbraw/zinc/61/75/26/1173617526.db2.gz YUXRJDUYSWGLSY-OAHLLOKOSA-N -1 3 298.350 1.744 20 30 CDEDHM CO[C@]1(C)CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591340076 1173617529 /nfs/dbraw/zinc/61/75/29/1173617529.db2.gz YUXRJDUYSWGLSY-OAHLLOKOSA-N -1 3 298.350 1.744 20 30 CDEDHM CO[C@H]1CC[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591349805 1173621975 /nfs/dbraw/zinc/62/19/75/1173621975.db2.gz CDCGWDNPUSXHAA-MNOVXSKESA-N -1 3 284.323 1.718 20 30 CDEDHM CO[C@H]1CC[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591349805 1173621977 /nfs/dbraw/zinc/62/19/77/1173621977.db2.gz CDCGWDNPUSXHAA-MNOVXSKESA-N -1 3 284.323 1.718 20 30 CDEDHM COc1cc(CN2CCC[C@@H](C#N)C2)ccc1-c1nnn[n-]1 ZINC001591526851 1173666303 /nfs/dbraw/zinc/66/63/03/1173666303.db2.gz VBPSTCWEAJMZLP-LBPRGKRZSA-N -1 3 298.350 1.611 20 30 CDEDHM COc1cc(CN2CCC[C@@H](C#N)C2)ccc1-c1nn[n-]n1 ZINC001591526851 1173666308 /nfs/dbraw/zinc/66/63/08/1173666308.db2.gz VBPSTCWEAJMZLP-LBPRGKRZSA-N -1 3 298.350 1.611 20 30 CDEDHM COc1ccc(NC(=O)C#CC2CC2)cc1-c1nnn[n-]1 ZINC001591607771 1173673218 /nfs/dbraw/zinc/67/32/18/1173673218.db2.gz UZJIOLZNNQIXNK-UHFFFAOYSA-N -1 3 283.291 1.227 20 30 CDEDHM COc1ccc(NC(=O)C#CC2CC2)cc1-c1nn[n-]n1 ZINC001591607771 1173673219 /nfs/dbraw/zinc/67/32/19/1173673219.db2.gz UZJIOLZNNQIXNK-UHFFFAOYSA-N -1 3 283.291 1.227 20 30 CDEDHM Cc1c(C(=O)N[C@](C)(C#N)C(C)C)cccc1-c1nnn[n-]1 ZINC001591805777 1173707080 /nfs/dbraw/zinc/70/70/80/1173707080.db2.gz QEIKMNHIPDNRAA-OAHLLOKOSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1c(C(=O)N[C@](C)(C#N)C(C)C)cccc1-c1nn[n-]n1 ZINC001591805777 1173707082 /nfs/dbraw/zinc/70/70/82/1173707082.db2.gz QEIKMNHIPDNRAA-OAHLLOKOSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1cc(F)c(-c2nnn[n-]2)c(NC[C@@H](C)C#N)c1 ZINC001591980009 1173763980 /nfs/dbraw/zinc/76/39/80/1173763980.db2.gz NEZKCOHMMJSSRT-QMMMGPOBSA-N -1 3 260.276 1.886 20 30 CDEDHM Cc1cc(F)c(-c2nn[n-]n2)c(NC[C@@H](C)C#N)c1 ZINC001591980009 1173763985 /nfs/dbraw/zinc/76/39/85/1173763985.db2.gz NEZKCOHMMJSSRT-QMMMGPOBSA-N -1 3 260.276 1.886 20 30 CDEDHM Cc1nc(C(=O)N(CCC#N)C(C)C)ccc1-c1nnn[n-]1 ZINC001592343070 1173861376 /nfs/dbraw/zinc/86/13/76/1173861376.db2.gz QIDDBHDQKWNSCK-UHFFFAOYSA-N -1 3 299.338 1.334 20 30 CDEDHM Cc1nc(C(=O)N(CCC#N)C(C)C)ccc1-c1nn[n-]n1 ZINC001592343070 1173861382 /nfs/dbraw/zinc/86/13/82/1173861382.db2.gz QIDDBHDQKWNSCK-UHFFFAOYSA-N -1 3 299.338 1.334 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1[C@H]1CCCC(C)(C)C1=O ZINC001592341210 1173862657 /nfs/dbraw/zinc/86/26/57/1173862657.db2.gz SBEJQGQAMZBHKM-JTQLQIEISA-N -1 3 299.338 1.564 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1[C@H]1CCCC(C)(C)C1=O ZINC001592341210 1173862659 /nfs/dbraw/zinc/86/26/59/1173862659.db2.gz SBEJQGQAMZBHKM-JTQLQIEISA-N -1 3 299.338 1.564 20 30 CDEDHM N#CCCN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592677044 1173964843 /nfs/dbraw/zinc/96/48/43/1173964843.db2.gz SPHBUAZKHZMSKH-UHFFFAOYSA-N -1 3 295.306 1.136 20 30 CDEDHM N#CCCN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592677044 1173964848 /nfs/dbraw/zinc/96/48/48/1173964848.db2.gz SPHBUAZKHZMSKH-UHFFFAOYSA-N -1 3 295.306 1.136 20 30 CDEDHM N#CCCNC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001592678229 1173968889 /nfs/dbraw/zinc/96/88/89/1173968889.db2.gz QEFNJPSZUCMOTC-LBPRGKRZSA-N -1 3 297.322 1.067 20 30 CDEDHM N#CCCNC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592678229 1173968894 /nfs/dbraw/zinc/96/88/94/1173968894.db2.gz QEFNJPSZUCMOTC-LBPRGKRZSA-N -1 3 297.322 1.067 20 30 CDEDHM N#CCCSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001592677625 1173969529 /nfs/dbraw/zinc/96/95/29/1173969529.db2.gz DBSJJMGAXVOLQQ-UHFFFAOYSA-N -1 3 288.336 1.452 20 30 CDEDHM N#CCCSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001592677625 1173969532 /nfs/dbraw/zinc/96/95/32/1173969532.db2.gz DBSJJMGAXVOLQQ-UHFFFAOYSA-N -1 3 288.336 1.452 20 30 CDEDHM C#CCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602710040 1175368573 /nfs/dbraw/zinc/36/85/73/1175368573.db2.gz NWRVSWXUEITQJQ-UHFFFAOYSA-N -1 3 270.296 1.394 20 30 CDEDHM C#CCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602710040 1175368580 /nfs/dbraw/zinc/36/85/80/1175368580.db2.gz NWRVSWXUEITQJQ-UHFFFAOYSA-N -1 3 270.296 1.394 20 30 CDEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602753549 1175387752 /nfs/dbraw/zinc/38/77/52/1175387752.db2.gz QNSJWXBBTGAERF-ZWNOBZJWSA-N -1 3 286.339 1.655 20 30 CDEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001602753549 1175387762 /nfs/dbraw/zinc/38/77/62/1175387762.db2.gz QNSJWXBBTGAERF-ZWNOBZJWSA-N -1 3 286.339 1.655 20 30 CDEDHM C=CCCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001602839466 1175426886 /nfs/dbraw/zinc/42/68/86/1175426886.db2.gz ACZFEIFORFXSSI-UHFFFAOYSA-N -1 3 293.352 1.111 20 30 CDEDHM C=CCCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001602839466 1175426894 /nfs/dbraw/zinc/42/68/94/1175426894.db2.gz ACZFEIFORFXSSI-UHFFFAOYSA-N -1 3 293.352 1.111 20 30 CDEDHM C=CCNN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC001602866673 1175439319 /nfs/dbraw/zinc/43/93/19/1175439319.db2.gz IBKDLUOABDEFRI-UHFFFAOYSA-N -1 3 267.296 1.458 20 30 CDEDHM C=CCNN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC001602866673 1175439322 /nfs/dbraw/zinc/43/93/22/1175439322.db2.gz IBKDLUOABDEFRI-UHFFFAOYSA-N -1 3 267.296 1.458 20 30 CDEDHM CC(C)(CC#N)CNC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001603136131 1175498714 /nfs/dbraw/zinc/49/87/14/1175498714.db2.gz YGOHNFMUBYNFAE-UHFFFAOYSA-N -1 3 290.352 1.598 20 30 CDEDHM C[C@H]1CC[C@H](CNc2c(C#N)cccc2-c2nnn[n-]2)O1 ZINC001603878443 1175666554 /nfs/dbraw/zinc/66/65/54/1175666554.db2.gz QRDNMNDFUZLOIJ-GXSJLCMTSA-N -1 3 284.323 1.718 20 30 CDEDHM C[C@H]1CC[C@H](CNc2c(C#N)cccc2-c2nn[n-]n2)O1 ZINC001603878443 1175666558 /nfs/dbraw/zinc/66/65/58/1175666558.db2.gz QRDNMNDFUZLOIJ-GXSJLCMTSA-N -1 3 284.323 1.718 20 30 CDEDHM CC[C@@H](C#N)N(CC)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001603978265 1175705573 /nfs/dbraw/zinc/70/55/73/1175705573.db2.gz UZHOFHBPRKQFAM-LBPRGKRZSA-N -1 3 298.350 1.939 20 30 CDEDHM CC[C@@H](C#N)N(CC)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001603978265 1175705576 /nfs/dbraw/zinc/70/55/76/1175705576.db2.gz UZHOFHBPRKQFAM-LBPRGKRZSA-N -1 3 298.350 1.939 20 30 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C[C@@H]1CCC[C@@]1(O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609163951 1164810496 /nfs/dbraw/zinc/81/04/96/1164810496.db2.gz IYNBLAJKGBWZJW-MEBBXXQBSA-N -1 3 298.350 1.701 20 30 CDEDHM CC[C@H](C)CON=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001609184487 1164827107 /nfs/dbraw/zinc/82/71/07/1164827107.db2.gz CIUIFYSXGVPNBC-JTQLQIEISA-N -1 3 299.338 1.911 20 30 CDEDHM CC[C@H](C)CON=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001609184487 1164827112 /nfs/dbraw/zinc/82/71/12/1164827112.db2.gz CIUIFYSXGVPNBC-JTQLQIEISA-N -1 3 299.338 1.911 20 30 CDEDHM CCN(C(=O)CCCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001609219566 1164851554 /nfs/dbraw/zinc/85/15/54/1164851554.db2.gz TZCGUEAYKGNDHQ-UHFFFAOYSA-N -1 3 284.323 1.913 20 30 CDEDHM CCN(C(=O)CCCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001609219566 1164851558 /nfs/dbraw/zinc/85/15/58/1164851558.db2.gz TZCGUEAYKGNDHQ-UHFFFAOYSA-N -1 3 284.323 1.913 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609482525 1164966551 /nfs/dbraw/zinc/96/65/51/1164966551.db2.gz GWVAPSCDRHTDTI-SREVYHEPSA-N -1 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C#C[C@H]1CC[C@H](Nc2nnccc2-c2nnn[n-]2)CC1 ZINC001588364909 1173054438 /nfs/dbraw/zinc/05/44/38/1173054438.db2.gz LUJNDPKFPKFYIT-MGCOHNPYSA-N -1 3 269.312 1.261 20 30 CDEDHM C#C[C@H]1CC[C@H](Nc2nnccc2-c2nn[n-]n2)CC1 ZINC001588364909 1173054445 /nfs/dbraw/zinc/05/44/45/1173054445.db2.gz LUJNDPKFPKFYIT-MGCOHNPYSA-N -1 3 269.312 1.261 20 30 CDEDHM C#CCON=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001588363418 1173054521 /nfs/dbraw/zinc/05/45/21/1173054521.db2.gz FBTBLUZWLKTGLK-UHFFFAOYSA-N -1 3 263.207 1.129 20 30 CDEDHM C=C(CC)CNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588443242 1173062660 /nfs/dbraw/zinc/06/26/60/1173062660.db2.gz WQJWAECLTMICIN-UHFFFAOYSA-N -1 3 287.323 1.328 20 30 CDEDHM C=C[C@@H](C)Nc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001588515562 1173072664 /nfs/dbraw/zinc/07/26/64/1173072664.db2.gz DRZDZHFSODSSEF-MRVPVSSYSA-N -1 3 267.296 1.796 20 30 CDEDHM C=C[C@@H](C)Nc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001588515562 1173072669 /nfs/dbraw/zinc/07/26/69/1173072669.db2.gz DRZDZHFSODSSEF-MRVPVSSYSA-N -1 3 267.296 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BHCLVCDFIKMFEC-UHFFFAOYSA-N -1 3 298.350 1.398 20 30 CDEDHM CN(CCC#N)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001591061707 1173568128 /nfs/dbraw/zinc/56/81/28/1173568128.db2.gz CCJOVNLNNGBLNK-UHFFFAOYSA-N -1 3 273.256 1.125 20 30 CDEDHM CN(CCC#N)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001591061707 1173568136 /nfs/dbraw/zinc/56/81/36/1173568136.db2.gz CCJOVNLNNGBLNK-UHFFFAOYSA-N -1 3 273.256 1.125 20 30 CDEDHM COCCC(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001591397746 1173643907 /nfs/dbraw/zinc/64/39/07/1173643907.db2.gz BKKDNEWFNUGZJT-UHFFFAOYSA-N -1 3 260.301 1.691 20 30 CDEDHM COCCC(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001591397746 1173643910 /nfs/dbraw/zinc/64/39/10/1173643910.db2.gz BKKDNEWFNUGZJT-UHFFFAOYSA-N -1 3 260.301 1.691 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1cc(C#N)cnn1 ZINC001591505047 1173662716 /nfs/dbraw/zinc/66/27/16/1173662716.db2.gz RVPNHCZTBQTABB-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1cc(C#N)cnn1 ZINC001591505047 1173662721 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ZINC001591958510 1173756781 /nfs/dbraw/zinc/75/67/81/1173756781.db2.gz IBOMFZAUZQMQLT-JTQLQIEISA-N -1 3 269.312 1.401 20 30 CDEDHM Cc1cc(C=NN[C@@H](C)CC#N)ccc1-c1nn[n-]n1 ZINC001591958510 1173756787 /nfs/dbraw/zinc/75/67/87/1173756787.db2.gz IBOMFZAUZQMQLT-JTQLQIEISA-N -1 3 269.312 1.401 20 30 CDEDHM Cn1cnc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001592587169 1173924720 /nfs/dbraw/zinc/92/47/20/1173924720.db2.gz FEXICLCAMGBNAB-HYXAFXHYSA-N -1 3 298.281 1.635 20 30 CDEDHM Cn1cnc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001592587169 1173924727 /nfs/dbraw/zinc/92/47/27/1173924727.db2.gz FEXICLCAMGBNAB-HYXAFXHYSA-N -1 3 298.281 1.635 20 30 CDEDHM N#CC[C@@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592673777 1173966327 /nfs/dbraw/zinc/96/63/27/1173966327.db2.gz NZHGEACFRMQYHV-NSHDSACASA-N -1 3 296.334 1.633 20 30 CDEDHM N#CC[C@@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592673777 1173966329 /nfs/dbraw/zinc/96/63/29/1173966329.db2.gz NZHGEACFRMQYHV-NSHDSACASA-N -1 3 296.334 1.633 20 30 CDEDHM N#Cc1ccc(CNc2cc(-c3nnn[n-]3)cnn2)cc1F ZINC001592694267 1173971247 /nfs/dbraw/zinc/97/12/47/1173971247.db2.gz PWMPDVOTTCMJSI-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1ccc(CNc2cc(-c3nn[n-]n3)cnn2)cc1F ZINC001592694267 1173971250 /nfs/dbraw/zinc/97/12/50/1173971250.db2.gz PWMPDVOTTCMJSI-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1cncnc1Sc1cccc(-c2nnn[n-]2)c1 ZINC001592703935 1173979226 /nfs/dbraw/zinc/97/92/26/1173979226.db2.gz JGMQMISWBPGEMN-UHFFFAOYSA-N -1 3 281.304 1.680 20 30 CDEDHM N#Cc1cncnc1Sc1cccc(-c2nn[n-]n2)c1 ZINC001592703935 1173979232 /nfs/dbraw/zinc/97/92/32/1173979232.db2.gz JGMQMISWBPGEMN-UHFFFAOYSA-N -1 3 281.304 1.680 20 30 CDEDHM O=C(C#CC1CC1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC001592767818 1173989441 /nfs/dbraw/zinc/98/94/41/1173989441.db2.gz MWVPAIFYQNEJJV-UHFFFAOYSA-N -1 3 286.266 1.462 20 30 CDEDHM O=C(C#CC1CC1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC001592767818 1173989446 /nfs/dbraw/zinc/98/94/46/1173989446.db2.gz MWVPAIFYQNEJJV-UHFFFAOYSA-N -1 3 286.266 1.462 20 30 CDEDHM N#Cc1nc(C(=O)[O-])ccc1N[C@H]1CCN(C2CC2)C1 ZINC001601133036 1174758536 /nfs/dbraw/zinc/75/85/36/1174758536.db2.gz KQSXODUHJFUTBO-VIFPVBQESA-N -1 3 272.308 1.300 20 30 CDEDHM C#C[C@@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)C(C)C ZINC001602688404 1175352525 /nfs/dbraw/zinc/35/25/25/1175352525.db2.gz JIAQPKRXGGLAPF-CYBMUJFWSA-N -1 3 297.362 1.871 20 30 CDEDHM C#C[C@@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)C(C)C ZINC001602688404 1175352532 /nfs/dbraw/zinc/35/25/32/1175352532.db2.gz JIAQPKRXGGLAPF-CYBMUJFWSA-N -1 3 297.362 1.871 20 30 CDEDHM C#CCC(C)(C)COC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001602696362 1175361130 /nfs/dbraw/zinc/36/11/30/1175361130.db2.gz HZAWYARMPAHCSE-UHFFFAOYSA-N -1 3 299.334 1.776 20 30 CDEDHM C#CCC(C)(C)COC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001602696362 1175361137 /nfs/dbraw/zinc/36/11/37/1175361137.db2.gz HZAWYARMPAHCSE-UHFFFAOYSA-N -1 3 299.334 1.776 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602696584 1175361335 /nfs/dbraw/zinc/36/13/35/1175361335.db2.gz KKZPXKASUQLHPK-ZDUSSCGKSA-N -1 3 281.319 1.495 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602696584 1175361340 /nfs/dbraw/zinc/36/13/40/1175361340.db2.gz KKZPXKASUQLHPK-ZDUSSCGKSA-N -1 3 281.319 1.495 20 30 CDEDHM C=C(C)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602762895 1175392327 /nfs/dbraw/zinc/39/23/27/1175392327.db2.gz NMKVILIOMWCMIQ-UHFFFAOYSA-N -1 3 276.275 1.703 20 30 CDEDHM C=C(C)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602762895 1175392329 /nfs/dbraw/zinc/39/23/29/1175392329.db2.gz NMKVILIOMWCMIQ-UHFFFAOYSA-N -1 3 276.275 1.703 20 30 CDEDHM C=C1CC(c2noc(-c3cc(-c4nnn[n-]4)c[nH]3)n2)C1 ZINC001602772982 1175394720 /nfs/dbraw/zinc/39/47/20/1175394720.db2.gz HWFUPXMKJMUCDL-UHFFFAOYSA-N -1 3 269.268 1.678 20 30 CDEDHM C=C1CC(c2noc(-c3cc(-c4nn[n-]n4)c[nH]3)n2)C1 ZINC001602772982 1175394725 /nfs/dbraw/zinc/39/47/25/1175394725.db2.gz HWFUPXMKJMUCDL-UHFFFAOYSA-N -1 3 269.268 1.678 20 30 CDEDHM C=CC[C@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001602812262 1175412877 /nfs/dbraw/zinc/41/28/77/1175412877.db2.gz ZWQWBDHXRQRCER-JTQLQIEISA-N -1 3 288.307 1.753 20 30 CDEDHM C=C[C@@H](NCc1cccc(OC)c1OC)C(=O)[O-] ZINC001602818846 1175415663 /nfs/dbraw/zinc/41/56/63/1175415663.db2.gz GSEDAYLRLCMQQF-SNVBAGLBSA-N -1 3 251.282 1.433 20 30 CDEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001602983641 1175471962 /nfs/dbraw/zinc/47/19/62/1175471962.db2.gz LKCYTGJNRCDLFA-SECBINFHSA-N -1 3 285.311 1.490 20 30 CDEDHM C[C@H](C#N)CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001602983641 1175471965 /nfs/dbraw/zinc/47/19/65/1175471965.db2.gz LKCYTGJNRCDLFA-SECBINFHSA-N -1 3 285.311 1.490 20 30 CDEDHM C[C@@H](CC#N)C(=O)OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603443650 1175554125 /nfs/dbraw/zinc/55/41/25/1175554125.db2.gz WMHLRRZWDKDXHB-QMMMGPOBSA-N -1 3 289.270 1.599 20 30 CDEDHM C[C@@H](CC#N)C(=O)OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001603443650 1175554132 /nfs/dbraw/zinc/55/41/32/1175554132.db2.gz WMHLRRZWDKDXHB-QMMMGPOBSA-N -1 3 289.270 1.599 20 30 CDEDHM CC[C@@H](C#N)N(CC)C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001603978035 1175704913 /nfs/dbraw/zinc/70/49/13/1175704913.db2.gz PNMULPGPXSACPU-JTQLQIEISA-N -1 3 299.338 1.334 20 30 CDEDHM CC[C@@H](C#N)N(CC)C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001603978035 1175704920 /nfs/dbraw/zinc/70/49/20/1175704920.db2.gz PNMULPGPXSACPU-JTQLQIEISA-N -1 3 299.338 1.334 20 30 CDEDHM CC[C@H](CC#N)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604013919 1175721756 /nfs/dbraw/zinc/72/17/56/1175721756.db2.gz PPFINBRCINHXHX-SECBINFHSA-N -1 3 287.283 1.879 20 30 CDEDHM CC[C@H](CC#N)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604013919 1175721757 /nfs/dbraw/zinc/72/17/57/1175721757.db2.gz PPFINBRCINHXHX-SECBINFHSA-N -1 3 287.283 1.879 20 30 CDEDHM CCC(CC)NN=Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001604027901 1175725629 /nfs/dbraw/zinc/72/56/29/1175725629.db2.gz UOXWWWFCUCTHNI-UHFFFAOYSA-N -1 3 288.355 1.987 20 30 CDEDHM CCC(CC)NN=Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001604027901 1175725632 /nfs/dbraw/zinc/72/56/32/1175725632.db2.gz UOXWWWFCUCTHNI-UHFFFAOYSA-N -1 3 288.355 1.987 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1CSC1 ZINC001606380247 1163882528 /nfs/dbraw/zinc/88/25/28/1163882528.db2.gz SSAZKWUQUXLHDE-UHFFFAOYSA-N -1 3 272.337 1.513 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1CSC1 ZINC001606380247 1163882529 /nfs/dbraw/zinc/88/25/29/1163882529.db2.gz SSAZKWUQUXLHDE-UHFFFAOYSA-N -1 3 272.337 1.513 20 30 CDEDHM C#CCC[C@@H](O)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC001609020371 1164729993 /nfs/dbraw/zinc/72/99/93/1164729993.db2.gz ZPAZABGCHMCKQE-SNVBAGLBSA-N -1 3 275.287 1.192 20 30 CDEDHM C#CCC[C@@H](O)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC001609020371 1164729999 /nfs/dbraw/zinc/72/99/99/1164729999.db2.gz ZPAZABGCHMCKQE-SNVBAGLBSA-N -1 3 275.287 1.192 20 30 CDEDHM COc1cccc(S([O-])=CC(=O)OC[C@@H](C)C#N)c1 ZINC000820331902 754846150 /nfs/dbraw/zinc/84/61/50/754846150.db2.gz UUABJFNZWBIRJP-APBUJDDRSA-N -1 3 281.333 1.506 20 30 CDEDHM Cc1nc(C)c(CC(=O)OCCCSCC#N)c(=O)[n-]1 ZINC000805400096 754023907 /nfs/dbraw/zinc/02/39/07/754023907.db2.gz ZVRADZZYNOYASJ-UHFFFAOYSA-N -1 3 295.364 1.532 20 30 CDEDHM C[C@@H](C=NN1CC(=O)[N-]C1=O)c1cccc(Cl)c1 ZINC000763359129 754294362 /nfs/dbraw/zinc/29/43/62/754294362.db2.gz JSVSYKDXWPSEKR-QMMMGPOBSA-N -1 3 265.700 1.981 20 30 CDEDHM Cc1cc(=O)[n-]c(N2CCN([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000886656617 754357747 /nfs/dbraw/zinc/35/77/47/754357747.db2.gz LXAPVSOPEIHUIY-QWHCGFSZSA-N -1 3 287.367 1.305 20 30 CDEDHM O=C(Cc1cccc(Cl)c1)N[C@H]1CCCN([O-])C1=O ZINC000816759462 754530893 /nfs/dbraw/zinc/53/08/93/754530893.db2.gz NEZVXDIMFZROFQ-NSHDSACASA-N -1 3 282.727 1.379 20 30 CDEDHM C=CCO[N-]C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000837044445 754687278 /nfs/dbraw/zinc/68/72/78/754687278.db2.gz MZWZPBKNAZCEBS-VIFPVBQESA-N -1 3 266.263 1.495 20 30 CDEDHM Cc1cc(F)cc(C)c1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000854648617 754725318 /nfs/dbraw/zinc/72/53/18/754725318.db2.gz GPCVRMCZYITMNB-LLVKDONJSA-N -1 3 280.299 1.553 20 30 CDEDHM C=C(Cl)CN1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001042487304 754827672 /nfs/dbraw/zinc/82/76/72/754827672.db2.gz QJPHNPBLBYLOLD-UHFFFAOYSA-N -1 3 280.755 1.901 20 30 CDEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000823894531 754870453 /nfs/dbraw/zinc/87/04/53/754870453.db2.gz SJDOPGTYJLJLAC-SECBINFHSA-N -1 3 274.328 1.669 20 30 CDEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000823894531 754870459 /nfs/dbraw/zinc/87/04/59/754870459.db2.gz SJDOPGTYJLJLAC-SECBINFHSA-N -1 3 274.328 1.669 20 30 CDEDHM Cc1ncc(CO)c(/C=N/[C@H](C)[C@@H]2CCCOC2)c1[O-] ZINC000779706832 754886926 /nfs/dbraw/zinc/88/69/26/754886926.db2.gz INTISNKGJYQBRN-UYMJKVEASA-N -1 3 278.352 1.822 20 30 CDEDHM N#Cc1cc([O-])cc(C(=O)OCc2cccc(C(N)=O)c2)c1 ZINC000776279437 754946963 /nfs/dbraw/zinc/94/69/63/754946963.db2.gz KAXJYXOXWOKNLR-UHFFFAOYSA-N -1 3 296.282 1.720 20 30 CDEDHM CC1(C)C[C@]1(C#N)NC(=O)c1nnc2ccccc2c1[O-] ZINC000794161709 755050963 /nfs/dbraw/zinc/05/09/63/755050963.db2.gz OKKOEGRXZJXYKL-OAHLLOKOSA-N -1 3 282.303 1.757 20 30 CDEDHM C=CCN1CC[C@@H](OC(=O)c2cc3occc3[n-]2)C1=O ZINC000798660272 755060004 /nfs/dbraw/zinc/06/00/04/755060004.db2.gz OERCGCCSJZMZEH-LLVKDONJSA-N -1 3 274.276 1.705 20 30 CDEDHM Cc1cc2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cn2c1 ZINC000848132531 755089972 /nfs/dbraw/zinc/08/99/72/755089972.db2.gz NCRSSYFVTISBBC-CYBMUJFWSA-N -1 3 287.319 1.358 20 30 CDEDHM O=C(Nc1cccnc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000866108681 755193267 /nfs/dbraw/zinc/19/32/67/755193267.db2.gz UVMPISYUPHZRGP-MRVPVSSYSA-N -1 3 284.703 1.237 20 30 CDEDHM C#CCCCS(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000840947355 755291412 /nfs/dbraw/zinc/29/14/12/755291412.db2.gz HHPWCKUFWHULEJ-UHFFFAOYSA-N -1 3 281.259 1.584 20 30 CDEDHM CCCc1cnc(NC(=O)N[C@H]2CCCN([O-])C2=O)s1 ZINC000879122402 755295619 /nfs/dbraw/zinc/29/56/19/755295619.db2.gz RTKRZVWLXDNVQY-VIFPVBQESA-N -1 3 298.368 1.597 20 30 CDEDHM O=C(CCOCc1ccccc1)N[C@H]1CCCN([O-])C1=O ZINC000816756848 755301027 /nfs/dbraw/zinc/30/10/27/755301027.db2.gz GRRAHTIZAABNCZ-ZDUSSCGKSA-N -1 3 292.335 1.090 20 30 CDEDHM C=CCO[N-]C(=O)Cc1cc(OC)c(OC)c(OC)c1 ZINC000837045257 755316975 /nfs/dbraw/zinc/31/69/75/755316975.db2.gz SFJRAEKGIGUAOE-UHFFFAOYSA-N -1 3 281.308 1.489 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2cccnc2s1 ZINC000848132849 755439210 /nfs/dbraw/zinc/43/92/10/755439210.db2.gz VRVILJNBGXGSFB-VIFPVBQESA-N -1 3 291.332 1.406 20 30 CDEDHM N#CCC1(CNC(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000437002630 755494287 /nfs/dbraw/zinc/49/42/87/755494287.db2.gz RJNFDVCRSFNPGL-UHFFFAOYSA-N -1 3 274.276 1.545 20 30 CDEDHM C=C(C)COCCNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000823878405 755824361 /nfs/dbraw/zinc/82/43/61/755824361.db2.gz XUONYANSPRSMHM-UHFFFAOYSA-N -1 3 299.338 1.519 20 30 CDEDHM C=C(C)COCCNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000823878405 755824362 /nfs/dbraw/zinc/82/43/62/755824362.db2.gz XUONYANSPRSMHM-UHFFFAOYSA-N -1 3 299.338 1.519 20 30 CDEDHM C=CCOCCN/C=C1\C(=O)[N-]C(=O)c2ccccc21 ZINC000779703970 755831321 /nfs/dbraw/zinc/83/13/21/755831321.db2.gz MBRAKUXQPPXIKN-RAXLEYEMSA-N -1 3 272.304 1.090 20 30 CDEDHM C=CCCC(=O)N[C@@H](C)CCNC(=O)c1ccccc1[O-] ZINC001075662518 755849720 /nfs/dbraw/zinc/84/97/20/755849720.db2.gz NBQIGMZHBSHAQS-LBPRGKRZSA-N -1 3 290.363 1.983 20 30 CDEDHM N#Cc1c(Cl)nsc1NCCCc1c[n-][nH]c1=O ZINC000865941506 755855577 /nfs/dbraw/zinc/85/55/77/755855577.db2.gz DWFHFLVPFAZYIK-ZCFIWIBFSA-N -1 3 283.744 1.592 20 30 CDEDHM N#Cc1cc(F)ccc1N1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000895028074 755891401 /nfs/dbraw/zinc/89/14/01/755891401.db2.gz UXBBOJPTHGTHCZ-UHFFFAOYSA-N -1 3 299.309 1.520 20 30 CDEDHM CC(=NN1CC(=O)[N-]C1=O)c1cnn(C(C)(C)C)c1C ZINC000787153955 755957843 /nfs/dbraw/zinc/95/78/43/755957843.db2.gz XDMZIOZUOUYGBX-UHFFFAOYSA-N -1 3 277.328 1.222 20 30 CDEDHM C[C@@H](CC(=O)N[C@H]1CCCN([O-])C1=O)c1cccc(F)c1 ZINC000816754268 755962396 /nfs/dbraw/zinc/96/23/96/755962396.db2.gz ABAMUQNDIYSZHZ-GWCFXTLKSA-N -1 3 294.326 1.816 20 30 CDEDHM O=C1CN(N=Cc2cc(F)cc(Cl)c2)C(=O)[N-]1 ZINC000776723704 756031026 /nfs/dbraw/zinc/03/10/26/756031026.db2.gz 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287.323 1.786 20 30 CDEDHM C=CCCO[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000735416423 575470387 /nfs/dbraw/zinc/47/03/87/575470387.db2.gz JOWGESGHVVYUPY-SNVBAGLBSA-N -1 3 287.323 1.786 20 30 CDEDHM Cc1cc2c(c(F)c1)NC(=O)C2=N[N-]c1cccnn1 ZINC000735976402 575545268 /nfs/dbraw/zinc/54/52/68/575545268.db2.gz FZENXLISDPLVFO-UHFFFAOYSA-N -1 3 271.255 1.692 20 30 CDEDHM C=C(C)CN1CCC(NC(=S)NCCCC(=O)[O-])CC1 ZINC000736094850 575569904 /nfs/dbraw/zinc/56/99/04/575569904.db2.gz ZMADTYLTWRSOEQ-UHFFFAOYSA-N -1 3 299.440 1.356 20 30 CDEDHM CC(C#N)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000736201150 575588631 /nfs/dbraw/zinc/58/86/31/575588631.db2.gz GPSNFQMNQRTGQJ-LLVKDONJSA-N -1 3 290.319 1.706 20 30 CDEDHM C[C@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736234010 575596121 /nfs/dbraw/zinc/59/61/21/575596121.db2.gz HQOMXVRRDSXECW-OIBJUYFYSA-N -1 3 268.280 1.333 20 30 CDEDHM C[C@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736234010 575596123 /nfs/dbraw/zinc/59/61/23/575596123.db2.gz 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ZINC000748784806 576924870 /nfs/dbraw/zinc/92/48/70/576924870.db2.gz CKPQIQAKNGQTDY-UHFFFAOYSA-N -1 3 269.293 1.732 20 30 CDEDHM Cc1ncc(CO)c(/C=N\C[C@]2(C)CCCO2)c1[O-] ZINC000755031974 576927192 /nfs/dbraw/zinc/92/71/92/576927192.db2.gz OTUCCADHVGENRP-FQNPWXFGSA-N -1 3 264.325 1.576 20 30 CDEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCCS2)c1[O-] ZINC000756772298 577003856 /nfs/dbraw/zinc/00/38/56/577003856.db2.gz KXQVPXXKBQATJB-NGPAHMQLSA-N -1 3 266.366 1.902 20 30 CDEDHM Cc1oc2ccccc2c1C=NN1CC(=O)[N-]C1=O ZINC000758100003 577071697 /nfs/dbraw/zinc/07/16/97/577071697.db2.gz QORXFMBABLOBNM-UHFFFAOYSA-N -1 3 257.249 1.627 20 30 CDEDHM CO[C@@H]1C[C@@H](/N=C\c2c([O-])c(C)ncc2CO)C1(C)C ZINC000753136124 577148295 /nfs/dbraw/zinc/14/82/95/577148295.db2.gz CLHOIOPMHSBYLE-TZPRWQMZSA-N -1 3 278.352 1.820 20 30 CDEDHM C=CC[C@@H](CO)NCc1ncc(Br)cc1[O-] ZINC000893566808 618134020 /nfs/dbraw/zinc/13/40/20/618134020.db2.gz HLZVKORUTWTRDT-VIFPVBQESA-N -1 3 287.157 1.576 20 30 CDEDHM COc1cc(C#N)ccc1CN1CCC(C(=O)[O-])CC1 ZINC000820754516 598087852 /nfs/dbraw/zinc/08/78/52/598087852.db2.gz GYXVFKUOYLCWLZ-UHFFFAOYSA-N -1 3 274.320 1.863 20 30 CDEDHM C#CCCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000819693574 599468287 /nfs/dbraw/zinc/46/82/87/599468287.db2.gz UICLLNWAZCZISG-UHFFFAOYSA-N -1 3 284.323 1.079 20 30 CDEDHM C#CCCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000819693574 599468288 /nfs/dbraw/zinc/46/82/88/599468288.db2.gz UICLLNWAZCZISG-UHFFFAOYSA-N -1 3 284.323 1.079 20 30 CDEDHM Cc1nnc(C)n1N=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822510482 607463601 /nfs/dbraw/zinc/46/36/01/607463601.db2.gz OLMUTYACXLGSIT-UHFFFAOYSA-N -1 3 286.274 1.096 20 30 CDEDHM Cc1nnc(C)n1N=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822510482 607463602 /nfs/dbraw/zinc/46/36/02/607463602.db2.gz OLMUTYACXLGSIT-UHFFFAOYSA-N -1 3 286.274 1.096 20 30 CDEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNCC(F)F ZINC000822739911 607465098 /nfs/dbraw/zinc/46/50/98/607465098.db2.gz DVAWGALDMNFMFN-UHFFFAOYSA-N -1 3 270.218 1.194 20 30 CDEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNCC(F)F ZINC000822739911 607465100 /nfs/dbraw/zinc/46/51/00/607465100.db2.gz DVAWGALDMNFMFN-UHFFFAOYSA-N -1 3 270.218 1.194 20 30 CDEDHM C#CC[C@H](COC)NCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001602683138 1175350470 /nfs/dbraw/zinc/35/04/70/1175350470.db2.gz JDPNIIVDKVJGIW-TZMCWYRMSA-N -1 3 291.347 1.666 20 30 CDEDHM C#CC[C@H](NCc1cc(F)ccc1OC)C(=O)[O-] ZINC001602693865 1175359706 /nfs/dbraw/zinc/35/97/06/1175359706.db2.gz BVHGGSSTAXUWFY-NSHDSACASA-N -1 3 251.257 1.400 20 30 CDEDHM C#CCCCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC001602706237 1175367615 /nfs/dbraw/zinc/36/76/15/1175367615.db2.gz NYJGHUGVHWXVJQ-UHFFFAOYSA-N -1 3 288.282 1.853 20 30 CDEDHM C#CCCCC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC001602706237 1175367620 /nfs/dbraw/zinc/36/76/20/1175367620.db2.gz NYJGHUGVHWXVJQ-UHFFFAOYSA-N -1 3 288.282 1.853 20 30 CDEDHM C#CCO[C@@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001602727616 1175374991 /nfs/dbraw/zinc/37/49/91/1175374991.db2.gz QRUGRDMMKOCTPK-JTQLQIEISA-N -1 3 286.291 1.119 20 30 CDEDHM C#CCO[C@@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001602727616 1175374997 /nfs/dbraw/zinc/37/49/97/1175374997.db2.gz QRUGRDMMKOCTPK-JTQLQIEISA-N -1 3 286.291 1.119 20 30 CDEDHM FC(F)CNN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822733344 606370926 /nfs/dbraw/zinc/37/09/26/606370926.db2.gz YSCTVVDTKWPSGR-UHFFFAOYSA-N -1 3 258.257 1.117 20 30 CDEDHM CC[C@H](C#N)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820843447 606614332 /nfs/dbraw/zinc/61/43/32/606614332.db2.gz ZNGMVSLZSGILGQ-SECBINFHSA-N -1 3 287.279 1.091 20 30 CDEDHM CC[C@H](C#N)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820843447 606614333 /nfs/dbraw/zinc/61/43/33/606614333.db2.gz ZNGMVSLZSGILGQ-SECBINFHSA-N -1 3 287.279 1.091 20 30 CDEDHM CC1CC(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000820648793 606621767 /nfs/dbraw/zinc/62/17/67/606621767.db2.gz GGJGVWCRKUUBSY-UHFFFAOYSA-N -1 3 282.307 1.723 20 30 CDEDHM CC1CC(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000820648793 606621768 /nfs/dbraw/zinc/62/17/68/606621768.db2.gz GGJGVWCRKUUBSY-UHFFFAOYSA-N -1 3 282.307 1.723 20 30 CDEDHM C=C[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000819729691 606833857 /nfs/dbraw/zinc/83/38/57/606833857.db2.gz KSQNORXCFBCTJV-VIFPVBQESA-N -1 3 272.312 1.871 20 30 CDEDHM C=C[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000819729691 606833859 /nfs/dbraw/zinc/83/38/59/606833859.db2.gz KSQNORXCFBCTJV-VIFPVBQESA-N -1 3 272.312 1.871 20 30 CDEDHM C=CC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602812138 1175413004 /nfs/dbraw/zinc/41/30/04/1175413004.db2.gz XNHLQCLXJYAEOZ-VIFPVBQESA-N -1 3 288.307 1.997 20 30 CDEDHM C=CC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602812138 1175413010 /nfs/dbraw/zinc/41/30/10/1175413010.db2.gz XNHLQCLXJYAEOZ-VIFPVBQESA-N -1 3 288.307 1.997 20 30 CDEDHM C#CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823838972 607816526 /nfs/dbraw/zinc/81/65/26/607816526.db2.gz XJOXFCLJLQBKIL-SNVBAGLBSA-N -1 3 269.308 1.409 20 30 CDEDHM C#CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823838972 607816527 /nfs/dbraw/zinc/81/65/27/607816527.db2.gz XJOXFCLJLQBKIL-SNVBAGLBSA-N -1 3 269.308 1.409 20 30 CDEDHM C(=NO[C@H]1CCCCO1)c1cc(-c2nnn[n-]2)cs1 ZINC000823867602 607889915 /nfs/dbraw/zinc/88/99/15/607889915.db2.gz DAMWWKXVCHJPLH-JTQLQIEISA-N -1 3 279.325 1.805 20 30 CDEDHM C(=NO[C@H]1CCCCO1)c1cc(-c2nn[n-]n2)cs1 ZINC000823867602 607889916 /nfs/dbraw/zinc/88/99/16/607889916.db2.gz DAMWWKXVCHJPLH-JTQLQIEISA-N -1 3 279.325 1.805 20 30 CDEDHM N#Cc1ccn(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826387814 607891224 /nfs/dbraw/zinc/89/12/24/607891224.db2.gz SEKBGQNVEUVTPD-UHFFFAOYSA-N -1 3 293.290 1.179 20 30 CDEDHM N#Cc1ccn(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826387814 607891225 /nfs/dbraw/zinc/89/12/25/607891225.db2.gz SEKBGQNVEUVTPD-UHFFFAOYSA-N -1 3 293.290 1.179 20 30 CDEDHM N#CC1(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000826379922 608577159 /nfs/dbraw/zinc/57/71/59/608577159.db2.gz GXXVUSHMGIFONI-UHFFFAOYSA-N -1 3 288.698 1.306 20 30 CDEDHM N#CC1(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000826379922 608577161 /nfs/dbraw/zinc/57/71/61/608577161.db2.gz GXXVUSHMGIFONI-UHFFFAOYSA-N -1 3 288.698 1.306 20 30 CDEDHM CC#CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000823942842 608583777 /nfs/dbraw/zinc/58/37/77/608583777.db2.gz KHIVKJOPRJXNSS-UHFFFAOYSA-N -1 3 282.229 1.716 20 30 CDEDHM CC#CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000823942842 608583778 /nfs/dbraw/zinc/58/37/78/608583778.db2.gz KHIVKJOPRJXNSS-UHFFFAOYSA-N -1 3 282.229 1.716 20 30 CDEDHM c1cc(-c2nnn[n-]2)ccc1N=NC1CCCOCC1 ZINC000826514163 608884385 /nfs/dbraw/zinc/88/43/85/608884385.db2.gz JEQDFLPEGMBUKH-UHFFFAOYSA-N -1 3 272.312 1.835 20 30 CDEDHM c1cc(-c2nn[n-]n2)ccc1N=NC1CCCOCC1 ZINC000826514163 608884387 /nfs/dbraw/zinc/88/43/87/608884387.db2.gz JEQDFLPEGMBUKH-UHFFFAOYSA-N -1 3 272.312 1.835 20 30 CDEDHM CC(CCn1cccn1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824413705 609159916 /nfs/dbraw/zinc/15/99/16/609159916.db2.gz ONDPAJYADYVFSB-UHFFFAOYSA-N -1 3 296.338 1.941 20 30 CDEDHM CC(CCn1cccn1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824413705 609159918 /nfs/dbraw/zinc/15/99/18/609159918.db2.gz ONDPAJYADYVFSB-UHFFFAOYSA-N -1 3 296.338 1.941 20 30 CDEDHM CCC(C)(C)CCn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC000825039589 609175751 /nfs/dbraw/zinc/17/57/51/609175751.db2.gz VAUZJJCSFGPXAR-UHFFFAOYSA-N -1 3 274.332 1.343 20 30 CDEDHM CCC(C)(C)CCn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC000825039589 609175753 /nfs/dbraw/zinc/17/57/53/609175753.db2.gz VAUZJJCSFGPXAR-UHFFFAOYSA-N -1 3 274.332 1.343 20 30 CDEDHM Cn1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826362982 609270779 /nfs/dbraw/zinc/27/07/79/609270779.db2.gz QUSLMCNKEHFOEK-HWKANZROSA-N -1 3 298.281 1.635 20 30 CDEDHM Cn1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826362982 609270780 /nfs/dbraw/zinc/27/07/80/609270780.db2.gz QUSLMCNKEHFOEK-HWKANZROSA-N -1 3 298.281 1.635 20 30 CDEDHM C=C(C)CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823872473 609334601 /nfs/dbraw/zinc/33/46/01/609334601.db2.gz AAYIOLXOTARCKY-UHFFFAOYSA-N -1 3 272.312 1.907 20 30 CDEDHM C=C(C)CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823872473 609334603 /nfs/dbraw/zinc/33/46/03/609334603.db2.gz AAYIOLXOTARCKY-UHFFFAOYSA-N -1 3 272.312 1.907 20 30 CDEDHM C[C@H](C#N)CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824034163 609384093 /nfs/dbraw/zinc/38/40/93/609384093.db2.gz HSGCUWWZCVNALU-SECBINFHSA-N -1 3 283.339 1.712 20 30 CDEDHM C[C@H](C#N)CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824034163 609384095 /nfs/dbraw/zinc/38/40/95/609384095.db2.gz HSGCUWWZCVNALU-SECBINFHSA-N -1 3 283.339 1.712 20 30 CDEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC000824925669 609462518 /nfs/dbraw/zinc/46/25/18/609462518.db2.gz FYXVDLXYLKMVQQ-OTYXRUKQSA-N -1 3 299.338 1.397 20 30 CDEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC000824925669 609462520 /nfs/dbraw/zinc/46/25/20/609462520.db2.gz FYXVDLXYLKMVQQ-OTYXRUKQSA-N -1 3 299.338 1.397 20 30 CDEDHM Cc1c(Cl)cnc(N(C)C[C@H](C)C#N)c1-c1nnn[n-]1 ZINC000826237389 609534613 /nfs/dbraw/zinc/53/46/13/609534613.db2.gz XXLXBFMVHVAYST-SSDOTTSWSA-N -1 3 291.746 1.819 20 30 CDEDHM Cc1c(Cl)cnc(N(C)C[C@H](C)C#N)c1-c1nn[n-]n1 ZINC000826237389 609534614 /nfs/dbraw/zinc/53/46/14/609534614.db2.gz XXLXBFMVHVAYST-SSDOTTSWSA-N -1 3 291.746 1.819 20 30 CDEDHM C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000965940553 613326348 /nfs/dbraw/zinc/32/63/48/613326348.db2.gz ITBLSGALZANOQT-CHWSQXEVSA-N -1 3 289.379 1.804 20 30 CDEDHM C=CC1(OC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000893363191 617689253 /nfs/dbraw/zinc/68/92/53/617689253.db2.gz UGSXWWVHTFYKBH-UHFFFAOYSA-N -1 3 281.333 1.934 20 30 CDEDHM C=CCOC[C@@H](NCc1cnn2ccccc12)C(=O)[O-] ZINC000901808136 618258537 /nfs/dbraw/zinc/25/85/37/618258537.db2.gz BISBDNNNPMHJND-GFCCVEGCSA-N -1 3 275.308 1.080 20 30 CDEDHM C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])N1CCC(C)CC1 ZINC000820238521 618517369 /nfs/dbraw/zinc/51/73/69/618517369.db2.gz RHZRJENFACXCTN-WFASDCNBSA-N -1 3 295.383 1.228 20 30 CDEDHM COC(=O)c1cc(CN[C@H]2CCCN([O-])C2=O)cs1 ZINC000895157246 619371879 /nfs/dbraw/zinc/37/18/79/619371879.db2.gz NXLZHBFYORZJJW-VIFPVBQESA-N -1 3 284.337 1.005 20 30 CDEDHM Cc1nn(C(C)C)c(C)c1CN[C@@H]1CCCN([O-])C1=O ZINC000895194135 619443846 /nfs/dbraw/zinc/44/38/46/619443846.db2.gz BTQDUEPUKZCTQW-CYBMUJFWSA-N -1 3 280.372 1.551 20 30 CDEDHM C=C(C)CN(CC)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000035083992 620835380 /nfs/dbraw/zinc/83/53/80/620835380.db2.gz IQWAUANPEQBVGJ-GFCCVEGCSA-N -1 3 268.357 1.208 20 30 CDEDHM C=CC[C@@H](CO)CNC(=O)c1c([O-])cccc1OC ZINC000901322658 624179375 /nfs/dbraw/zinc/17/93/75/624179375.db2.gz JOZVFYKCPFEJBE-SNVBAGLBSA-N -1 3 265.309 1.315 20 30 CDEDHM C=CCCn1cc(CNC(CC)(CC)CC(=O)[O-])nn1 ZINC000901795602 624454884 /nfs/dbraw/zinc/45/48/84/624454884.db2.gz OJYYIWZAHCAHEX-UHFFFAOYSA-N -1 3 280.372 1.977 20 30 CDEDHM COC(=O)N(C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904187330 626207007 /nfs/dbraw/zinc/20/70/07/626207007.db2.gz JEGWVMSITNVBQN-UHFFFAOYSA-N -1 3 286.715 1.756 20 30 CDEDHM C=CCCCS(=O)(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000907373373 627625167 /nfs/dbraw/zinc/62/51/67/627625167.db2.gz SATXAHBDDXMSMM-UHFFFAOYSA-N -1 3 283.353 1.102 20 30 CDEDHM Cc1cc(C)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)n1 ZINC000908405693 628185165 /nfs/dbraw/zinc/18/51/65/628185165.db2.gz KEJHQDHBWPSBKM-LLVKDONJSA-N -1 3 277.324 1.117 20 30 CDEDHM CCc1cc(=O)[n-]c(CSCCO[C@H](C)C#N)n1 ZINC000802751949 628394024 /nfs/dbraw/zinc/39/40/24/628394024.db2.gz MUBLWMORZUBXKN-SECBINFHSA-N -1 3 267.354 1.906 20 30 CDEDHM C=CCC[C@H](NC(=O)CN(C)CC(C)(C)C)C(=O)[O-] ZINC000909717303 628645163 /nfs/dbraw/zinc/64/51/63/628645163.db2.gz YFAATLKWBQQRBY-NSHDSACASA-N -1 3 270.373 1.500 20 30 CDEDHM COc1cc(F)c(S(=O)(=O)[N-]CCCC#N)cc1F ZINC000914356332 631374774 /nfs/dbraw/zinc/37/47/74/631374774.db2.gz CSWAOTYEZBEIST-UHFFFAOYSA-N -1 3 290.291 1.555 20 30 CDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C ZINC001602853960 1175435048 /nfs/dbraw/zinc/43/50/48/1175435048.db2.gz OOITWZAOCUDVGC-UHFFFAOYSA-N -1 3 269.308 1.567 20 30 CDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C ZINC001602853960 1175435053 /nfs/dbraw/zinc/43/50/53/1175435053.db2.gz OOITWZAOCUDVGC-UHFFFAOYSA-N -1 3 269.308 1.567 20 30 CDEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CC#N ZINC001604358472 1163163358 /nfs/dbraw/zinc/16/33/58/1163163358.db2.gz CXBFPZOWGAEFFE-SECBINFHSA-N -1 3 299.338 1.787 20 30 CDEDHM Cc1cc(COC(=O)CCCC#N)ccc1-c1nnn[n-]1 ZINC001605663366 1163638240 /nfs/dbraw/zinc/63/82/40/1163638240.db2.gz ONDWRJMIPSQMDB-UHFFFAOYSA-N -1 3 285.307 1.912 20 30 CDEDHM Cc1cc(COC(=O)CCCC#N)ccc1-c1nn[n-]n1 ZINC001605663366 1163638249 /nfs/dbraw/zinc/63/82/49/1163638249.db2.gz ONDWRJMIPSQMDB-UHFFFAOYSA-N -1 3 285.307 1.912 20 30 CDEDHM Cc1nc(CNc2c(C#N)cccc2-c2nnn[n-]2)oc1C ZINC001606042894 1163754734 /nfs/dbraw/zinc/75/47/34/1163754734.db2.gz KWEBQTCUHDEUTG-UHFFFAOYSA-N -1 3 295.306 1.955 20 30 CDEDHM Cc1nc(CNc2c(C#N)cccc2-c2nn[n-]n2)oc1C ZINC001606042894 1163754743 /nfs/dbraw/zinc/75/47/43/1163754743.db2.gz KWEBQTCUHDEUTG-UHFFFAOYSA-N -1 3 295.306 1.955 20 30 CDEDHM Fc1cc(C=NN[C@@H]2CCSC2)ccc1-c1nnn[n-]1 ZINC001606308674 1163850984 /nfs/dbraw/zinc/85/09/84/1163850984.db2.gz GVPVYTNFERYMJL-SECBINFHSA-N -1 3 292.343 1.435 20 30 CDEDHM Fc1cc(C=NN[C@@H]2CCSC2)ccc1-c1nn[n-]n1 ZINC001606308674 1163850992 /nfs/dbraw/zinc/85/09/92/1163850992.db2.gz GVPVYTNFERYMJL-SECBINFHSA-N -1 3 292.343 1.435 20 30 CDEDHM N#CC1(Cn2nnc(-c3ccccc3)c2-c2nnn[n-]2)CC1 ZINC001606343301 1163867921 /nfs/dbraw/zinc/86/79/21/1163867921.db2.gz LOJKXGKOURRTHQ-UHFFFAOYSA-N -1 3 292.306 1.429 20 30 CDEDHM N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001606354691 1163875677 /nfs/dbraw/zinc/87/56/77/1163875677.db2.gz PZPBSJMPAAXAPA-JOYOIKCWSA-N -1 3 297.322 1.680 20 30 CDEDHM N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001606354691 1163875683 /nfs/dbraw/zinc/87/56/83/1163875683.db2.gz PZPBSJMPAAXAPA-JOYOIKCWSA-N -1 3 297.322 1.680 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCCC[C@@H]1O ZINC001606380390 1163882821 /nfs/dbraw/zinc/88/28/21/1163882821.db2.gz WQWATFBDCOVXAH-YPMHNXCESA-N -1 3 298.350 1.701 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCCC[C@@H]1O ZINC001606380390 1163882825 /nfs/dbraw/zinc/88/28/25/1163882825.db2.gz WQWATFBDCOVXAH-YPMHNXCESA-N -1 3 298.350 1.701 20 30 CDEDHM N#Cc1cnc(Oc2cc(Cl)ccc2-c2nnn[n-]2)cn1 ZINC001606389604 1163887276 /nfs/dbraw/zinc/88/72/76/1163887276.db2.gz BGAVMZIDOMVEEO-UHFFFAOYSA-N -1 3 299.681 1.974 20 30 CDEDHM N#Cc1cnc(Oc2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC001606389604 1163887280 /nfs/dbraw/zinc/88/72/80/1163887280.db2.gz BGAVMZIDOMVEEO-UHFFFAOYSA-N -1 3 299.681 1.974 20 30 CDEDHM C#C[C@@H](CC)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001609018598 1164725579 /nfs/dbraw/zinc/72/55/79/1164725579.db2.gz APUDUYSNWZUFES-QMMMGPOBSA-N -1 3 262.704 1.739 20 30 CDEDHM C#C[C@@H](CC)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001609018598 1164725583 /nfs/dbraw/zinc/72/55/83/1164725583.db2.gz APUDUYSNWZUFES-QMMMGPOBSA-N -1 3 262.704 1.739 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001609018813 1164725483 /nfs/dbraw/zinc/72/54/83/1164725483.db2.gz GXPPAANQWBLZNM-MRVPVSSYSA-N -1 3 261.310 1.070 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001609018813 1164725488 /nfs/dbraw/zinc/72/54/88/1164725488.db2.gz GXPPAANQWBLZNM-MRVPVSSYSA-N -1 3 261.310 1.070 20 30 CDEDHM C=C(C)COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001609051631 1164743551 /nfs/dbraw/zinc/74/35/51/1164743551.db2.gz LJNIXWJJJCFPJX-JTQLQIEISA-N -1 3 288.307 1.753 20 30 CDEDHM C=C(C)COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001609051631 1164743555 /nfs/dbraw/zinc/74/35/55/1164743555.db2.gz LJNIXWJJJCFPJX-JTQLQIEISA-N -1 3 288.307 1.753 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001609059772 1164751286 /nfs/dbraw/zinc/75/12/86/1164751286.db2.gz JIDIVWXQXQLDKJ-OLZOCXBDSA-N -1 3 299.334 1.248 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001609059772 1164751292 /nfs/dbraw/zinc/75/12/92/1164751292.db2.gz JIDIVWXQXQLDKJ-OLZOCXBDSA-N -1 3 299.334 1.248 20 30 CDEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCCCC#N ZINC001609066443 1164754480 /nfs/dbraw/zinc/75/44/80/1164754480.db2.gz BLVDXPMUCDLNCN-UHFFFAOYSA-N -1 3 270.296 1.785 20 30 CDEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCCCC#N ZINC001609066443 1164754487 /nfs/dbraw/zinc/75/44/87/1164754487.db2.gz BLVDXPMUCDLNCN-UHFFFAOYSA-N -1 3 270.296 1.785 20 30 CDEDHM C#CC[C@@H](NCc1ccc(OC)cc1OC(F)F)C(=O)[O-] ZINC001609089417 1164764375 /nfs/dbraw/zinc/76/43/75/1164764375.db2.gz LTKHRPVZKOTMHM-LLVKDONJSA-N -1 3 299.273 1.863 20 30 CDEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CC(C)(C)O1 ZINC001609175210 1164817425 /nfs/dbraw/zinc/81/74/25/1164817425.db2.gz KEVINCSIPVVYBI-SNVBAGLBSA-N -1 3 298.350 1.742 20 30 CDEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CC(C)(C)O1 ZINC001609175210 1164817432 /nfs/dbraw/zinc/81/74/32/1164817432.db2.gz KEVINCSIPVVYBI-SNVBAGLBSA-N -1 3 298.350 1.742 20 30 CDEDHM CC[C@H](C#N)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001609181860 1164821974 /nfs/dbraw/zinc/82/19/74/1164821974.db2.gz GIHJFCUHSUGGON-SSDOTTSWSA-N -1 3 286.324 1.110 20 30 CDEDHM CC[C@H](C#N)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001609181860 1164821983 /nfs/dbraw/zinc/82/19/83/1164821983.db2.gz GIHJFCUHSUGGON-SSDOTTSWSA-N -1 3 286.324 1.110 20 30 CDEDHM CC[C@](C)(C#N)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609183009 1164823614 /nfs/dbraw/zinc/82/36/14/1164823614.db2.gz RIXDNDOUCRSQGO-OAHLLOKOSA-N -1 3 298.350 1.765 20 30 CDEDHM CC[C@](C)(C#N)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609183009 1164823618 /nfs/dbraw/zinc/82/36/18/1164823618.db2.gz RIXDNDOUCRSQGO-OAHLLOKOSA-N -1 3 298.350 1.765 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609203894 1164846180 /nfs/dbraw/zinc/84/61/80/1164846180.db2.gz HTUDOUWWEVHBLQ-VIFPVBQESA-N -1 3 288.286 1.428 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609203894 1164846186 /nfs/dbraw/zinc/84/61/86/1164846186.db2.gz HTUDOUWWEVHBLQ-VIFPVBQESA-N -1 3 288.286 1.428 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCOCC1CCC1 ZINC001609446602 1164953414 /nfs/dbraw/zinc/95/34/14/1164953414.db2.gz JKAHEPSJTTXGSL-UHFFFAOYSA-N -1 3 287.327 1.060 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCOCC1CCC1 ZINC001609446602 1164953418 /nfs/dbraw/zinc/95/34/18/1164953418.db2.gz JKAHEPSJTTXGSL-UHFFFAOYSA-N -1 3 287.327 1.060 20 30 CDEDHM Cc1[nH]nc([N-]C(=O)c2ncoc2-c2ccon2)c1C#N ZINC001633101846 1166402361 /nfs/dbraw/zinc/40/23/61/1166402361.db2.gz YIXOAYJKNQVTTC-UHFFFAOYSA-N -1 3 284.235 1.485 20 30 CDEDHM C#C[C@](C)(CC)NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588325109 1173024659 /nfs/dbraw/zinc/02/46/59/1173024659.db2.gz GDDCZXMMIBHCTE-OAHLLOKOSA-N -1 3 283.335 1.707 20 30 CDEDHM C#C[C@](C)(CC)NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588325109 1173024665 /nfs/dbraw/zinc/02/46/65/1173024665.db2.gz GDDCZXMMIBHCTE-OAHLLOKOSA-N -1 3 283.335 1.707 20 30 CDEDHM C#C[C@@H](C)Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001588326970 1173026907 /nfs/dbraw/zinc/02/69/07/1173026907.db2.gz ZBFRUIMCYZHKME-SSDOTTSWSA-N -1 3 270.321 1.910 20 30 CDEDHM C#C[C@@H](C)Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001588326970 1173026911 /nfs/dbraw/zinc/02/69/11/1173026911.db2.gz ZBFRUIMCYZHKME-SSDOTTSWSA-N -1 3 270.321 1.910 20 30 CDEDHM C#CCC[C@@H](O)CNc1cc(C(C)=O)ccc1-c1nnn[n-]1 ZINC001588336925 1173041656 /nfs/dbraw/zinc/04/16/56/1173041656.db2.gz HEBAFQVLZAMKKQ-GFCCVEGCSA-N -1 3 299.334 1.256 20 30 CDEDHM C#CCC[C@@H](O)CNc1cc(C(C)=O)ccc1-c1nn[n-]n1 ZINC001588336925 1173041661 /nfs/dbraw/zinc/04/16/61/1173041661.db2.gz HEBAFQVLZAMKKQ-GFCCVEGCSA-N -1 3 299.334 1.256 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001588348605 1173046549 /nfs/dbraw/zinc/04/65/49/1173046549.db2.gz DFUAHNGANQFIRI-UHFFFAOYSA-N -1 3 284.323 1.054 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001588348605 1173046551 /nfs/dbraw/zinc/04/65/51/1173046551.db2.gz DFUAHNGANQFIRI-UHFFFAOYSA-N -1 3 284.323 1.054 20 30 CDEDHM C=C1CN(C(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588462545 1173066608 /nfs/dbraw/zinc/06/66/08/1173066608.db2.gz KDLOOFMDQPKXCF-LLVKDONJSA-N -1 3 283.335 1.444 20 30 CDEDHM C=C1CN(C(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588462545 1173066616 /nfs/dbraw/zinc/06/66/16/1173066616.db2.gz KDLOOFMDQPKXCF-LLVKDONJSA-N -1 3 283.335 1.444 20 30 CDEDHM C=C1CC(C)(C(=O)Nc2n[nH]c(C)c2-c2nnn[n-]2)C1 ZINC001588456752 1173067178 /nfs/dbraw/zinc/06/71/78/1173067178.db2.gz UTGKPZNPWKZWIR-UHFFFAOYSA-N -1 3 273.300 1.193 20 30 CDEDHM C=C[C@@](C)(O)CC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588501232 1173069358 /nfs/dbraw/zinc/06/93/58/1173069358.db2.gz LPXLBAMGUOIYPT-OAHLLOKOSA-N -1 3 299.334 1.036 20 30 CDEDHM C=C[C@@](C)(O)CC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588501232 1173069364 /nfs/dbraw/zinc/06/93/64/1173069364.db2.gz LPXLBAMGUOIYPT-OAHLLOKOSA-N -1 3 299.334 1.036 20 30 CDEDHM C=C[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)cnn1 ZINC001588527420 1173074929 /nfs/dbraw/zinc/07/49/29/1173074929.db2.gz JOLQAAWQFLOMCA-SNVBAGLBSA-N -1 3 257.301 1.202 20 30 CDEDHM C=C[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)cnn1 ZINC001588527420 1173074936 /nfs/dbraw/zinc/07/49/36/1173074936.db2.gz JOLQAAWQFLOMCA-SNVBAGLBSA-N -1 3 257.301 1.202 20 30 CDEDHM C=C[C@H](COC)NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588526054 1173075048 /nfs/dbraw/zinc/07/50/48/1173075048.db2.gz PIZBQYWXGDZFFW-SNVBAGLBSA-N -1 3 287.323 1.106 20 30 CDEDHM C=C[C@H](COC)NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588526054 1173075053 /nfs/dbraw/zinc/07/50/53/1173075053.db2.gz PIZBQYWXGDZFFW-SNVBAGLBSA-N -1 3 287.323 1.106 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)c1cnccc1-c1nnn[n-]1 ZINC001588563999 1173083990 /nfs/dbraw/zinc/08/39/90/1173083990.db2.gz HRXKKDXTMOCFOQ-VIFPVBQESA-N -1 3 270.296 1.052 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)c1cnccc1-c1nn[n-]n1 ZINC001588563999 1173083995 /nfs/dbraw/zinc/08/39/95/1173083995.db2.gz HRXKKDXTMOCFOQ-VIFPVBQESA-N -1 3 270.296 1.052 20 30 CDEDHM C=CCCC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588571478 1173084656 /nfs/dbraw/zinc/08/46/56/1173084656.db2.gz XOHXWHWFOWEHSH-ZDUSSCGKSA-N -1 3 283.335 1.416 20 30 CDEDHM C=CCCC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588571478 1173084659 /nfs/dbraw/zinc/08/46/59/1173084659.db2.gz XOHXWHWFOWEHSH-ZDUSSCGKSA-N -1 3 283.335 1.416 20 30 CDEDHM C=CCCCN(CC)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC001588602052 1173084870 /nfs/dbraw/zinc/08/48/70/1173084870.db2.gz ZGEHSOJVVASKKD-UHFFFAOYSA-N -1 3 288.355 1.634 20 30 CDEDHM C=CCCCN(CC)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC001588602052 1173084876 /nfs/dbraw/zinc/08/48/76/1173084876.db2.gz ZGEHSOJVVASKKD-UHFFFAOYSA-N -1 3 288.355 1.634 20 30 CDEDHM C=CCn1nnc(-c2ccccc2)c1-c1nnn[n-]1 ZINC001588716230 1173098803 /nfs/dbraw/zinc/09/88/03/1173098803.db2.gz ALZDGITUIXDALP-UHFFFAOYSA-N -1 3 253.269 1.311 20 30 CDEDHM C=CCOCCNc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588683581 1173100358 /nfs/dbraw/zinc/10/03/58/1173100358.db2.gz ZGEVWMYZORMDRK-UHFFFAOYSA-N -1 3 260.301 1.185 20 30 CDEDHM C=CCOCCNc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588683581 1173100364 /nfs/dbraw/zinc/10/03/64/1173100364.db2.gz ZGEVWMYZORMDRK-UHFFFAOYSA-N -1 3 260.301 1.185 20 30 CDEDHM C[C@H](C#N)CN(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588931270 1173115527 /nfs/dbraw/zinc/11/55/27/1173115527.db2.gz WFBULKTUNUSGHN-WSKFYRRCSA-N -1 3 296.334 1.498 20 30 CDEDHM C[C@H](C#N)CN(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588931270 1173115531 /nfs/dbraw/zinc/11/55/31/1173115531.db2.gz WFBULKTUNUSGHN-WSKFYRRCSA-N -1 3 296.334 1.498 20 30 CDEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cscc1-c1nnn[n-]1 ZINC001589086025 1173122639 /nfs/dbraw/zinc/12/26/39/1173122639.db2.gz PDSBXSROPLWJJK-SECBINFHSA-N -1 3 290.352 1.596 20 30 CDEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cscc1-c1nn[n-]n1 ZINC001589086025 1173122643 /nfs/dbraw/zinc/12/26/43/1173122643.db2.gz PDSBXSROPLWJJK-SECBINFHSA-N -1 3 290.352 1.596 20 30 CDEDHM CC(C)CN(CC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589614274 1173162644 /nfs/dbraw/zinc/16/26/44/1173162644.db2.gz QVJRRHVUFRPQNO-UHFFFAOYSA-N -1 3 270.340 1.848 20 30 CDEDHM CC(C)CN(CC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589614274 1173162652 /nfs/dbraw/zinc/16/26/52/1173162652.db2.gz QVJRRHVUFRPQNO-UHFFFAOYSA-N -1 3 270.340 1.848 20 30 CDEDHM C[C@H](CC#N)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589788378 1173181368 /nfs/dbraw/zinc/18/13/68/1173181368.db2.gz XNLMYTOSECVIMM-GHMZBOCLSA-N -1 3 298.350 1.464 20 30 CDEDHM C[C@H](CC#N)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589788378 1173181370 /nfs/dbraw/zinc/18/13/70/1173181370.db2.gz XNLMYTOSECVIMM-GHMZBOCLSA-N -1 3 298.350 1.464 20 30 CDEDHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@](C)(C#N)C1 ZINC001590040041 1173236849 /nfs/dbraw/zinc/23/68/49/1173236849.db2.gz QRAJZHBQFUEFIO-IAQYHMDHSA-N -1 3 298.350 1.542 20 30 CDEDHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@](C)(C#N)C1 ZINC001590040041 1173236856 /nfs/dbraw/zinc/23/68/56/1173236856.db2.gz QRAJZHBQFUEFIO-IAQYHMDHSA-N -1 3 298.350 1.542 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001590368128 1173377656 /nfs/dbraw/zinc/37/76/56/1173377656.db2.gz XFJKGGBYZIXTGF-LLVKDONJSA-N -1 3 285.307 1.943 20 30 CDEDHM CC[C@H](C#N)OC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001590368128 1173377662 /nfs/dbraw/zinc/37/76/62/1173377662.db2.gz XFJKGGBYZIXTGF-LLVKDONJSA-N -1 3 285.307 1.943 20 30 CDEDHM CC[C@@H](C#N)N(CC)C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001590367678 1173378770 /nfs/dbraw/zinc/37/87/70/1173378770.db2.gz GYZAOFXWQCNVCB-LBPRGKRZSA-N -1 3 298.350 1.939 20 30 CDEDHM CC[C@@H](C#N)N(CC)C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001590367678 1173378775 /nfs/dbraw/zinc/37/87/75/1173378775.db2.gz GYZAOFXWQCNVCB-LBPRGKRZSA-N -1 3 298.350 1.939 20 30 CDEDHM CC[C@](C)(C#N)C(=O)OCc1ccncc1-c1nnn[n-]1 ZINC001590371974 1173380820 /nfs/dbraw/zinc/38/08/20/1173380820.db2.gz NEVSZSZBNRUXLG-CYBMUJFWSA-N -1 3 286.295 1.245 20 30 CDEDHM CC[C@](C)(C#N)C(=O)OCc1ccncc1-c1nn[n-]n1 ZINC001590371974 1173380830 /nfs/dbraw/zinc/38/08/30/1173380830.db2.gz NEVSZSZBNRUXLG-CYBMUJFWSA-N -1 3 286.295 1.245 20 30 CDEDHM CC[C@@H]1COCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001590525182 1173452188 /nfs/dbraw/zinc/45/21/88/1173452188.db2.gz VNQLGXSBQVQXQB-SECBINFHSA-N -1 3 272.312 1.691 20 30 CDEDHM CO[C@H]1C[C@@H](CNc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591472791 1173659190 /nfs/dbraw/zinc/65/91/90/1173659190.db2.gz FMLMSEXZKJRZCM-JGZJWPJOSA-N -1 3 284.323 1.575 20 30 CDEDHM CO[C@H]1C[C@@H](CNc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591472791 1173659193 /nfs/dbraw/zinc/65/91/93/1173659193.db2.gz FMLMSEXZKJRZCM-JGZJWPJOSA-N -1 3 284.323 1.575 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CN1CCO[C@@H](C#N)C1 ZINC001591847514 1173713827 /nfs/dbraw/zinc/71/38/27/1173713827.db2.gz YGLZJRIQVZLRIT-ZDUSSCGKSA-N -1 3 298.350 1.208 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN1CCO[C@@H](C#N)C1 ZINC001591847514 1173713835 /nfs/dbraw/zinc/71/38/35/1173713835.db2.gz YGLZJRIQVZLRIT-ZDUSSCGKSA-N -1 3 298.350 1.208 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)c(NCC#C[C@@H]2CCCCO2)n1 ZINC001592085732 1173796569 /nfs/dbraw/zinc/79/65/69/1173796569.db2.gz KEDWDCLCIQHVBZ-LBPRGKRZSA-N -1 3 298.350 1.555 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)c(NCC#C[C@@H]2CCCCO2)n1 ZINC001592085732 1173796571 /nfs/dbraw/zinc/79/65/71/1173796571.db2.gz KEDWDCLCIQHVBZ-LBPRGKRZSA-N -1 3 298.350 1.555 20 30 CDEDHM N#CC[C@@H](O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC001592682522 1173969136 /nfs/dbraw/zinc/96/91/36/1173969136.db2.gz ZZNBHWIWQDBQSH-SSDOTTSWSA-N -1 3 295.755 1.887 20 30 CDEDHM N#CC[C@@H](O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC001592682522 1173969142 /nfs/dbraw/zinc/96/91/42/1173969142.db2.gz ZZNBHWIWQDBQSH-SSDOTTSWSA-N -1 3 295.755 1.887 20 30 CDEDHM Cn1ccnc1C(C#N)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001600982291 1174691472 /nfs/dbraw/zinc/69/14/72/1174691472.db2.gz XYQLLTZARLVCEP-ZDUSSCGKSA-N -1 3 297.314 1.927 20 30 CDEDHM N#CCC1(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)CC1 ZINC001601061760 1174722411 /nfs/dbraw/zinc/72/24/11/1174722411.db2.gz GZXAKXVOEJNSOY-SNVBAGLBSA-N -1 3 274.324 1.700 20 30 CDEDHM N#Cc1c(F)cccc1CNC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001601083069 1174735300 /nfs/dbraw/zinc/73/53/00/1174735300.db2.gz ZJWOVTYDHGWEEK-ZWNOBZJWSA-N -1 3 278.283 1.277 20 30 CDEDHM 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C=CCCNc1nc2c(cc1-c1nn[n-]n1)COCC2 ZINC001588609568 1173089660 /nfs/dbraw/zinc/08/96/60/1173089660.db2.gz QMAVWPXQCNPPPG-UHFFFAOYSA-N -1 3 272.312 1.322 20 30 CDEDHM C=CCN1CC[C@@H](Oc2cccc(-c3nnn[n-]3)c2)C1=O ZINC001588657291 1173092989 /nfs/dbraw/zinc/09/29/89/1173092989.db2.gz JOQKPWKEXCLKRX-GFCCVEGCSA-N -1 3 285.307 1.032 20 30 CDEDHM C=CCN1CC[C@@H](Oc2cccc(-c3nn[n-]n3)c2)C1=O ZINC001588657291 1173092996 /nfs/dbraw/zinc/09/29/96/1173092996.db2.gz JOQKPWKEXCLKRX-GFCCVEGCSA-N -1 3 285.307 1.032 20 30 CDEDHM C=CCN(Cc1cnon1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652329 1173093145 /nfs/dbraw/zinc/09/31/45/1173093145.db2.gz TWZVTERBKYRRFM-UHFFFAOYSA-N -1 3 297.322 1.438 20 30 CDEDHM C=CCN(Cc1cnon1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652329 1173093152 /nfs/dbraw/zinc/09/31/52/1173093152.db2.gz TWZVTERBKYRRFM-UHFFFAOYSA-N -1 3 297.322 1.438 20 30 CDEDHM CC(=NNCC(C)C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588776291 1173104686 /nfs/dbraw/zinc/10/46/86/1173104686.db2.gz IBILMMAUWFHBCF-UHFFFAOYSA-N -1 3 259.317 1.231 20 30 CDEDHM CC(=NNCC(C)C)c1cc(-c2nn[n-]n2)ccn1 ZINC001588776291 1173104687 /nfs/dbraw/zinc/10/46/87/1173104687.db2.gz IBILMMAUWFHBCF-UHFFFAOYSA-N -1 3 259.317 1.231 20 30 CDEDHM C[C@@H](C#N)CNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588934803 1173117270 /nfs/dbraw/zinc/11/72/70/1173117270.db2.gz VTTHYMDFMFXFIQ-TVYUQYBPSA-N -1 3 296.334 1.246 20 30 CDEDHM C[C@@H](C#N)CNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588934803 1173117274 /nfs/dbraw/zinc/11/72/74/1173117274.db2.gz VTTHYMDFMFXFIQ-TVYUQYBPSA-N -1 3 296.334 1.246 20 30 CDEDHM C[C@H](CC#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589788076 1173181787 /nfs/dbraw/zinc/18/17/87/1173181787.db2.gz SXOIPKZZMIQQKM-JYESYGNLSA-N -1 3 282.307 1.298 20 30 CDEDHM C[C@H](CC#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589788076 1173181789 /nfs/dbraw/zinc/18/17/89/1173181789.db2.gz SXOIPKZZMIQQKM-JYESYGNLSA-N -1 3 282.307 1.298 20 30 CDEDHM C[C@@H](NN=Cc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589976662 1173219168 /nfs/dbraw/zinc/21/91/68/1173219168.db2.gz MJQDEQGRLPCCQL-SSDOTTSWSA-N -1 3 284.245 1.741 20 30 CDEDHM C[C@@H](NN=Cc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589976662 1173219170 /nfs/dbraw/zinc/21/91/70/1173219170.db2.gz MJQDEQGRLPCCQL-SSDOTTSWSA-N -1 3 284.245 1.741 20 30 CDEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)CCC#N ZINC001590047633 1173238950 /nfs/dbraw/zinc/23/89/50/1173238950.db2.gz ZDTGQUACMPGTDJ-SNVBAGLBSA-N -1 3 256.313 1.773 20 30 CDEDHM C[C@@H]1SCCC1N=Nc1ccc(-c2nnn[n-]2)cn1 ZINC001590339390 1173363731 /nfs/dbraw/zinc/36/37/31/1173363731.db2.gz WSLLPVFRALVPSV-ZETCQYMHSA-N -1 3 275.341 1.555 20 30 CDEDHM C[C@@H]1SCCC1N=Nc1ccc(-c2nn[n-]n2)cn1 ZINC001590339390 1173363740 /nfs/dbraw/zinc/36/37/40/1173363740.db2.gz WSLLPVFRALVPSV-ZETCQYMHSA-N -1 3 275.341 1.555 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001590371688 1173381283 /nfs/dbraw/zinc/38/12/83/1173381283.db2.gz HUAPYAXFDYYKHY-AWEZNQCLSA-N -1 3 284.323 1.597 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001590371688 1173381288 /nfs/dbraw/zinc/38/12/88/1173381288.db2.gz HUAPYAXFDYYKHY-AWEZNQCLSA-N -1 3 284.323 1.597 20 30 CDEDHM CCC[C@H](C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590538930 1173454253 /nfs/dbraw/zinc/45/42/53/1173454253.db2.gz SHYKSOUBDHCODE-JLVNDZCYSA-N -1 3 296.334 1.688 20 30 CDEDHM CCC[C@H](C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590538930 1173454255 /nfs/dbraw/zinc/45/42/55/1173454255.db2.gz SHYKSOUBDHCODE-JLVNDZCYSA-N -1 3 296.334 1.688 20 30 CDEDHM CCN(CC#N)Cc1cc(-c2nn[n-]n2)ccc1N(C)C ZINC001590679769 1173489822 /nfs/dbraw/zinc/48/98/22/1173489822.db2.gz KCBPTWSOXWUJDR-UHFFFAOYSA-N -1 3 285.355 1.278 20 30 CDEDHM CCc1cc(CNc2c(C#N)cccc2-c2nnn[n-]2)on1 ZINC001590881742 1173535686 /nfs/dbraw/zinc/53/56/86/1173535686.db2.gz IANAVDLGZLOZKS-UHFFFAOYSA-N -1 3 295.306 1.901 20 30 CDEDHM CCc1cc(CNc2c(C#N)cccc2-c2nn[n-]n2)on1 ZINC001590881742 1173535690 /nfs/dbraw/zinc/53/56/90/1173535690.db2.gz IANAVDLGZLOZKS-UHFFFAOYSA-N -1 3 295.306 1.901 20 30 CDEDHM CO[C@@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001591355496 1173624573 /nfs/dbraw/zinc/62/45/73/1173624573.db2.gz ZLTKOUABPYXYLT-GFCCVEGCSA-N -1 3 298.350 1.744 20 30 CDEDHM CO[C@@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001591355496 1173624576 /nfs/dbraw/zinc/62/45/76/1173624576.db2.gz ZLTKOUABPYXYLT-GFCCVEGCSA-N -1 3 298.350 1.744 20 30 CDEDHM COCc1cc(-c2nn[n-]n2)ccc1NCCC#N ZINC001591454700 1173654418 /nfs/dbraw/zinc/65/44/18/1173654418.db2.gz XXORPLQFLGDAEP-UHFFFAOYSA-N -1 3 258.285 1.339 20 30 CDEDHM CO[C@H]1C[C@H](CNc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591474173 1173658721 /nfs/dbraw/zinc/65/87/21/1173658721.db2.gz FMLMSEXZKJRZCM-HOMQSWHASA-N -1 3 284.323 1.575 20 30 CDEDHM CO[C@H]1C[C@H](CNc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591474173 1173658725 /nfs/dbraw/zinc/65/87/25/1173658725.db2.gz FMLMSEXZKJRZCM-HOMQSWHASA-N -1 3 284.323 1.575 20 30 CDEDHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CC[C@H](C#N)C1 ZINC001591569442 1173671236 /nfs/dbraw/zinc/67/12/36/1173671236.db2.gz LHMDSHXIPBQLMA-GXSJLCMTSA-N -1 3 284.323 1.979 20 30 CDEDHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CC[C@H](C#N)C1 ZINC001591569442 1173671242 /nfs/dbraw/zinc/67/12/42/1173671242.db2.gz LHMDSHXIPBQLMA-GXSJLCMTSA-N -1 3 284.323 1.979 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1(C#N)CC1 ZINC001592104571 1173802914 /nfs/dbraw/zinc/80/29/14/1173802914.db2.gz XSBKFKPTRWRZKE-UHFFFAOYSA-N -1 3 282.307 1.808 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1(C#N)CC1 ZINC001592104571 1173802920 /nfs/dbraw/zinc/80/29/20/1173802920.db2.gz XSBKFKPTRWRZKE-UHFFFAOYSA-N -1 3 282.307 1.808 20 30 CDEDHM N#CC1(NC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001592671765 1173962858 /nfs/dbraw/zinc/96/28/58/1173962858.db2.gz WIHWHWSCMXDZJZ-UHFFFAOYSA-N -1 3 282.307 1.433 20 30 CDEDHM N#CC1(NC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001592671765 1173962865 /nfs/dbraw/zinc/96/28/65/1173962865.db2.gz WIHWHWSCMXDZJZ-UHFFFAOYSA-N -1 3 282.307 1.433 20 30 CDEDHM N#C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592673165 1173964389 /nfs/dbraw/zinc/96/43/89/1173964389.db2.gz VQPLNESWULIIDA-SECBINFHSA-N -1 3 299.294 1.515 20 30 CDEDHM N#CCCN(Cc1ccc(-c2nnn[n-]2)cn1)CC1CC1 ZINC001592676943 1173967015 /nfs/dbraw/zinc/96/70/15/1173967015.db2.gz KZNHGFUTSNASJU-UHFFFAOYSA-N -1 3 283.339 1.387 20 30 CDEDHM N#CCCN(Cc1ccc(-c2nn[n-]n2)cn1)CC1CC1 ZINC001592676943 1173967020 /nfs/dbraw/zinc/96/70/20/1173967020.db2.gz KZNHGFUTSNASJU-UHFFFAOYSA-N -1 3 283.339 1.387 20 30 CDEDHM N#CCc1cccc(Nc2nnccc2-c2nnn[n-]2)c1 ZINC001592680343 1173968173 /nfs/dbraw/zinc/96/81/73/1173968173.db2.gz WUTIXRDLRYUYCC-UHFFFAOYSA-N -1 3 278.279 1.466 20 30 CDEDHM N#CCc1cccc(Nc2nnccc2-c2nn[n-]n2)c1 ZINC001592680343 1173968175 /nfs/dbraw/zinc/96/81/75/1173968175.db2.gz WUTIXRDLRYUYCC-UHFFFAOYSA-N -1 3 278.279 1.466 20 30 CDEDHM N#Cc1ccc(F)c(CNc2nnccc2-c2nnn[n-]2)c1 ZINC001592693538 1173970404 /nfs/dbraw/zinc/97/04/04/1173970404.db2.gz KNRVNRUOENYSND-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1ccc(F)c(CNc2nnccc2-c2nn[n-]n2)c1 ZINC001592693538 1173970410 /nfs/dbraw/zinc/97/04/10/1173970410.db2.gz KNRVNRUOENYSND-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1cc(F)ccc1Cn1cc(-c2nnn[n-]2)cn1 ZINC001592689447 1173970923 /nfs/dbraw/zinc/97/09/23/1173970923.db2.gz DOOJZSAOOGOCKR-UHFFFAOYSA-N -1 3 269.243 1.122 20 30 CDEDHM N#Cc1cc(F)ccc1Cn1cc(-c2nn[n-]n2)cn1 ZINC001592689447 1173970929 /nfs/dbraw/zinc/97/09/29/1173970929.db2.gz DOOJZSAOOGOCKR-UHFFFAOYSA-N -1 3 269.243 1.122 20 30 CDEDHM N#Cc1ccc(CNc2cc(-c3nnn[n-]3)cnn2)s1 ZINC001592694468 1173972081 /nfs/dbraw/zinc/97/20/81/1173972081.db2.gz VEGAKDVVUQZGML-UHFFFAOYSA-N -1 3 284.308 1.202 20 30 CDEDHM N#Cc1ccc(CNc2cc(-c3nn[n-]n3)cnn2)s1 ZINC001592694468 1173972086 /nfs/dbraw/zinc/97/20/86/1173972086.db2.gz VEGAKDVVUQZGML-UHFFFAOYSA-N -1 3 284.308 1.202 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](C(F)F)C1 ZINC001592698240 1173976144 /nfs/dbraw/zinc/97/61/44/1173976144.db2.gz RBCIDWHVNVFKEY-SECBINFHSA-N -1 3 290.277 1.830 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](C(F)F)C1 ZINC001592698240 1173976152 /nfs/dbraw/zinc/97/61/52/1173976152.db2.gz RBCIDWHVNVFKEY-SECBINFHSA-N -1 3 290.277 1.830 20 30 CDEDHM N#Cc1ncn(CCC2SCCS2)c1-c1nnn[n-]1 ZINC001592710312 1173980541 /nfs/dbraw/zinc/98/05/41/1173980541.db2.gz URBVZJBBGSCSDW-UHFFFAOYSA-N -1 3 293.381 1.131 20 30 CDEDHM N#Cc1ncn(Cc2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC001592709539 1173981728 /nfs/dbraw/zinc/98/17/28/1173981728.db2.gz IUKUFUPEAYQRAY-UHFFFAOYSA-N -1 3 286.686 1.032 20 30 CDEDHM N#Cc1ncn(Cc2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC001592709539 1173981732 /nfs/dbraw/zinc/98/17/32/1173981732.db2.gz IUKUFUPEAYQRAY-UHFFFAOYSA-N -1 3 286.686 1.032 20 30 CDEDHM O=C(C#CC1CC1)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001592766657 1173988594 /nfs/dbraw/zinc/98/85/94/1173988594.db2.gz QECFRUQRVBZSAN-UHFFFAOYSA-N -1 3 279.303 1.169 20 30 CDEDHM O=C(C#CC1CC1)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592766657 1173988600 /nfs/dbraw/zinc/98/86/00/1173988600.db2.gz QECFRUQRVBZSAN-UHFFFAOYSA-N -1 3 279.303 1.169 20 30 CDEDHM c1cc(N=NC2CC3(CCC3)C2)ncc1-c1nnn[n-]1 ZINC001593560905 1174136970 /nfs/dbraw/zinc/13/69/70/1174136970.db2.gz LVQMIGNUYMKUFG-UHFFFAOYSA-N -1 3 269.312 1.994 20 30 CDEDHM c1cc(N=NC2CC3(CCC3)C2)ncc1-c1nn[n-]n1 ZINC001593560905 1174136975 /nfs/dbraw/zinc/13/69/75/1174136975.db2.gz LVQMIGNUYMKUFG-UHFFFAOYSA-N -1 3 269.312 1.994 20 30 CDEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600909297 1174660217 /nfs/dbraw/zinc/66/02/17/1174660217.db2.gz QFBRHZUUFZASBO-OUAUKWLOSA-N -1 3 297.314 1.860 20 30 CDEDHM C#CC[C@H](NCc1c(Cl)n[nH]c1C1CC1)C(=O)[O-] ZINC001602694036 1175358509 /nfs/dbraw/zinc/35/85/09/1175358509.db2.gz FTEPAOYQTPRBSR-VIFPVBQESA-N -1 3 267.716 1.507 20 30 CDEDHM C#CCOCCOc1ccc(-c2nn[n-]n2)cc1C ZINC001602731750 1175377187 /nfs/dbraw/zinc/37/71/87/1175377187.db2.gz CTCGBKIPYHNCSO-UHFFFAOYSA-N -1 3 258.281 1.204 20 30 CDEDHM C=C(Cl)C[C@@H](N)C(=O)N(CCC(=O)[O-])CC(C)C ZINC001602789350 1175403874 /nfs/dbraw/zinc/40/38/74/1175403874.db2.gz ZJOOTCOPMSTJSF-SNVBAGLBSA-N -1 3 276.764 1.416 20 30 CDEDHM C=CC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001602811875 1175412925 /nfs/dbraw/zinc/41/29/25/1175412925.db2.gz RDCQJDCBAVNCFI-SSDOTTSWSA-N -1 3 260.301 1.198 20 30 CDEDHM C=CC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001602811875 1175412932 /nfs/dbraw/zinc/41/29/32/1175412932.db2.gz RDCQJDCBAVNCFI-SSDOTTSWSA-N -1 3 260.301 1.198 20 30 CDEDHM C=CCCNC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602841151 1175427526 /nfs/dbraw/zinc/42/75/26/1175427526.db2.gz OYLDYSHVESPUBK-CYBMUJFWSA-N -1 3 298.350 1.729 20 30 CDEDHM C=CCCNC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602841151 1175427530 /nfs/dbraw/zinc/42/75/30/1175427530.db2.gz OYLDYSHVESPUBK-CYBMUJFWSA-N -1 3 298.350 1.729 20 30 CDEDHM CC(C)(C)O[N-]C(=O)Cc1cccc(OCC#N)c1 ZINC000126376165 1175459572 /nfs/dbraw/zinc/45/95/72/1175459572.db2.gz 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C#CCCCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588340865 1173043234 /nfs/dbraw/zinc/04/32/34/1173043234.db2.gz JKVFISLJGXTNGR-UHFFFAOYSA-N -1 3 287.298 1.426 20 30 CDEDHM C#CCCCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588340865 1173043242 /nfs/dbraw/zinc/04/32/42/1173043242.db2.gz JKVFISLJGXTNGR-UHFFFAOYSA-N -1 3 287.298 1.426 20 30 CDEDHM C#CCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588349351 1173049282 /nfs/dbraw/zinc/04/92/82/1173049282.db2.gz NRDDQLPMONHRBK-UHFFFAOYSA-N -1 3 296.334 1.841 20 30 CDEDHM C#CCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588349351 1173049289 /nfs/dbraw/zinc/04/92/89/1173049289.db2.gz NRDDQLPMONHRBK-UHFFFAOYSA-N -1 3 296.334 1.841 20 30 CDEDHM c1cnc(N=NCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001588381953 1173057640 /nfs/dbraw/zinc/05/76/40/1173057640.db2.gz YEXBDCQTMOPCNA-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM c1cnc(N=NCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001588381953 1173057644 /nfs/dbraw/zinc/05/76/44/1173057644.db2.gz YEXBDCQTMOPCNA-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM C=CCC1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588560517 1173079577 /nfs/dbraw/zinc/07/95/77/1173079577.db2.gz SBRGYCMPXTVRLO-UHFFFAOYSA-N -1 3 286.339 1.169 20 30 CDEDHM C=CCC1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588560517 1173079582 /nfs/dbraw/zinc/07/95/82/1173079582.db2.gz SBRGYCMPXTVRLO-UHFFFAOYSA-N -1 3 286.339 1.169 20 30 CDEDHM CC#CCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588745974 1173102254 /nfs/dbraw/zinc/10/22/54/1173102254.db2.gz JLKTUIBILXBJLX-UHFFFAOYSA-N -1 3 288.286 1.541 20 30 CDEDHM CC#CCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588745974 1173102257 /nfs/dbraw/zinc/10/22/57/1173102257.db2.gz JLKTUIBILXBJLX-UHFFFAOYSA-N -1 3 288.286 1.541 20 30 CDEDHM CC(=NNCC(F)F)c1ccccc1-c1nnn[n-]1 ZINC001588777082 1173105760 /nfs/dbraw/zinc/10/57/60/1173105760.db2.gz BLHKRXQICWTIRS-UHFFFAOYSA-N -1 3 266.255 1.445 20 30 CDEDHM CC(=NNCC(F)F)c1ccccc1-c1nn[n-]n1 ZINC001588777082 1173105765 /nfs/dbraw/zinc/10/57/65/1173105765.db2.gz BLHKRXQICWTIRS-UHFFFAOYSA-N -1 3 266.255 1.445 20 30 CDEDHM C[C@H](C#N)OCCNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588934300 1173114354 /nfs/dbraw/zinc/11/43/54/1173114354.db2.gz IMLCYCMOYHWGFF-MRVPVSSYSA-N -1 3 276.275 1.346 20 30 CDEDHM C[C@H](C#N)OCCNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588934300 1173114357 /nfs/dbraw/zinc/11/43/57/1173114357.db2.gz IMLCYCMOYHWGFF-MRVPVSSYSA-N -1 3 276.275 1.346 20 30 CDEDHM CC(C)(C)c1coc(Cn2cnc(C#N)c2-c2nnn[n-]2)n1 ZINC001589233383 1173130200 /nfs/dbraw/zinc/13/02/00/1173130200.db2.gz FFSVZFQZSYSLLE-UHFFFAOYSA-N -1 3 298.310 1.269 20 30 CDEDHM CC(C)NC(=S)NN=Cc1csc(-c2nnn[n-]2)c1 ZINC001589725143 1173169984 /nfs/dbraw/zinc/16/99/84/1173169984.db2.gz DZSYUSGXEYIQDP-UHFFFAOYSA-N -1 3 295.397 1.135 20 30 CDEDHM C[C@@H](CC#N)N(C)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001589786781 1173180034 /nfs/dbraw/zinc/18/00/34/1173180034.db2.gz CNOVWDQNYQSTMK-QMMMGPOBSA-N -1 3 288.286 1.380 20 30 CDEDHM C[C@@H](CC#N)N(C)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001589786781 1173180036 /nfs/dbraw/zinc/18/00/36/1173180036.db2.gz CNOVWDQNYQSTMK-QMMMGPOBSA-N -1 3 288.286 1.380 20 30 CDEDHM CCC(=NN[C@@H](C)CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359213 1173374872 /nfs/dbraw/zinc/37/48/72/1173374872.db2.gz UHVYSNUDRGLFRS-JTQLQIEISA-N -1 3 283.339 1.873 20 30 CDEDHM CCC(=NN[C@@H](C)CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359213 1173374878 /nfs/dbraw/zinc/37/48/78/1173374878.db2.gz UHVYSNUDRGLFRS-JTQLQIEISA-N -1 3 283.339 1.873 20 30 CDEDHM CC[C@@H](C#N)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590367361 1173376619 /nfs/dbraw/zinc/37/66/19/1173376619.db2.gz NXUZMDKIUXKKGV-ZJUUUORDSA-N -1 3 284.323 1.594 20 30 CDEDHM CC[C@@H](C#N)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590367361 1173376628 /nfs/dbraw/zinc/37/66/28/1173376628.db2.gz NXUZMDKIUXKKGV-ZJUUUORDSA-N -1 3 284.323 1.594 20 30 CDEDHM CCC(Cn1cncn1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001590452043 1173412868 /nfs/dbraw/zinc/41/28/68/1173412868.db2.gz NTEMDJDNRLEAJO-UHFFFAOYSA-N -1 3 297.326 1.336 20 30 CDEDHM CCC(Cn1cncn1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001590452043 1173412871 /nfs/dbraw/zinc/41/28/71/1173412871.db2.gz NTEMDJDNRLEAJO-UHFFFAOYSA-N -1 3 297.326 1.336 20 30 CDEDHM CCC[C@H](C#N)NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001590538329 1173455265 /nfs/dbraw/zinc/45/52/65/1173455265.db2.gz GEULFXZPNRAGLY-GFCCVEGCSA-N -1 3 298.350 1.906 20 30 CDEDHM CCC[C@H](C#N)NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001590538329 1173455268 /nfs/dbraw/zinc/45/52/68/1173455268.db2.gz GEULFXZPNRAGLY-GFCCVEGCSA-N -1 3 298.350 1.906 20 30 CDEDHM CCN(CC#N)[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001590679885 1173490285 /nfs/dbraw/zinc/49/02/85/1173490285.db2.gz PQPWXUAAASJAON-JTQLQIEISA-N -1 3 299.338 1.039 20 30 CDEDHM CCN(CC#N)[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001590679885 1173490288 /nfs/dbraw/zinc/49/02/88/1173490288.db2.gz PQPWXUAAASJAON-JTQLQIEISA-N -1 3 299.338 1.039 20 30 CDEDHM CCN(CCC#N)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001590691787 1173491448 /nfs/dbraw/zinc/49/14/48/1173491448.db2.gz HSOHCYVDNUBGGL-UHFFFAOYSA-N -1 3 257.301 1.310 20 30 CDEDHM CCN(CCC#N)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001590691787 1173491451 /nfs/dbraw/zinc/49/14/51/1173491451.db2.gz HSOHCYVDNUBGGL-UHFFFAOYSA-N -1 3 257.301 1.310 20 30 CDEDHM COc1ccc(NCCO[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001591616459 1173673086 /nfs/dbraw/zinc/67/30/86/1173673086.db2.gz MHDCHRVQSAYDAT-SECBINFHSA-N -1 3 288.311 1.216 20 30 CDEDHM COc1ccc(NCCO[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC001591616459 1173673092 /nfs/dbraw/zinc/67/30/92/1173673092.db2.gz MHDCHRVQSAYDAT-SECBINFHSA-N -1 3 288.311 1.216 20 30 CDEDHM N#CC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001592669598 1173959432 /nfs/dbraw/zinc/95/94/32/1173959432.db2.gz YIRFBNYXYGALIY-UHFFFAOYSA-N -1 3 285.311 1.009 20 30 CDEDHM N#CC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001592669598 1173959435 /nfs/dbraw/zinc/95/94/35/1173959435.db2.gz YIRFBNYXYGALIY-UHFFFAOYSA-N -1 3 285.311 1.009 20 30 CDEDHM N#CC1(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001592667113 1173960619 /nfs/dbraw/zinc/96/06/19/1173960619.db2.gz PDEPLUVVHZLMPX-UHFFFAOYSA-N -1 3 282.307 1.177 20 30 CDEDHM N#CC1(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001592667113 1173960623 /nfs/dbraw/zinc/96/06/23/1173960623.db2.gz PDEPLUVVHZLMPX-UHFFFAOYSA-N -1 3 282.307 1.177 20 30 CDEDHM N#CC1(CNCc2ccc(-c3nnn[n-]3)cc2F)CCC1 ZINC001592669309 1173960800 /nfs/dbraw/zinc/96/08/00/1173960800.db2.gz GJDWLTGLSDQGCD-UHFFFAOYSA-N -1 3 286.314 1.789 20 30 CDEDHM N#CC1(CNCc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC001592669309 1173960803 /nfs/dbraw/zinc/96/08/03/1173960803.db2.gz GJDWLTGLSDQGCD-UHFFFAOYSA-N -1 3 286.314 1.789 20 30 CDEDHM N#C[C@@]1(F)CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001592671019 1173962510 /nfs/dbraw/zinc/96/25/10/1173962510.db2.gz XZWVTGPBOHTASG-NSHDSACASA-N -1 3 278.316 1.366 20 30 CDEDHM N#CC[C@@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001592682420 1173968588 /nfs/dbraw/zinc/96/85/88/1173968588.db2.gz YAGRPFJJJRFPGC-WPRPVWTQSA-N -1 3 287.302 1.895 20 30 CDEDHM N#CC[C@@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001592682420 1173968594 /nfs/dbraw/zinc/96/85/94/1173968594.db2.gz YAGRPFJJJRFPGC-WPRPVWTQSA-N -1 3 287.302 1.895 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC=C(F)C1 ZINC001592698383 1173976015 /nfs/dbraw/zinc/97/60/15/1173976015.db2.gz AEYAVHSQVIVQJZ-UHFFFAOYSA-N -1 3 270.271 1.802 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC=C(F)C1 ZINC001592698383 1173976022 /nfs/dbraw/zinc/97/60/22/1173976022.db2.gz AEYAVHSQVIVQJZ-UHFFFAOYSA-N -1 3 270.271 1.802 20 30 CDEDHM N#CCCC[C@H](N)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001601067320 1174725513 /nfs/dbraw/zinc/72/55/13/1174725513.db2.gz WNNMXCSHJDQMGN-ZDUSSCGKSA-N -1 3 289.335 1.065 20 30 CDEDHM C#C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001602697343 1175363584 /nfs/dbraw/zinc/36/35/84/1175363584.db2.gz UZOORVPDEGITMS-NSHDSACASA-N -1 3 268.324 1.420 20 30 CDEDHM C#C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001602697343 1175363590 /nfs/dbraw/zinc/36/35/90/1175363590.db2.gz UZOORVPDEGITMS-NSHDSACASA-N -1 3 268.324 1.420 20 30 CDEDHM C#CCCCC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001602705764 1175366605 /nfs/dbraw/zinc/36/66/05/1175366605.db2.gz FLVYZDFMPHRIEW-UHFFFAOYSA-N -1 3 269.308 1.917 20 30 CDEDHM C#CCCCC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001602705764 1175366610 /nfs/dbraw/zinc/36/66/10/1175366610.db2.gz FLVYZDFMPHRIEW-UHFFFAOYSA-N -1 3 269.308 1.917 20 30 CDEDHM C=C(C)CNC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001602762794 1175391641 /nfs/dbraw/zinc/39/16/41/1175391641.db2.gz IUJOZWPOVKTPOC-UHFFFAOYSA-N -1 3 284.323 1.468 20 30 CDEDHM C=C(C)CNC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001602762794 1175391646 /nfs/dbraw/zinc/39/16/46/1175391646.db2.gz IUJOZWPOVKTPOC-UHFFFAOYSA-N -1 3 284.323 1.468 20 30 CDEDHM C=C(Cl)CNC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001602770536 1175393859 /nfs/dbraw/zinc/39/38/59/1175393859.db2.gz OENDKMMQDXSVGM-UHFFFAOYSA-N -1 3 269.717 1.411 20 30 CDEDHM C=C[C@@H](COC)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001602804672 1175407755 /nfs/dbraw/zinc/40/77/55/1175407755.db2.gz VYFYPTNZKOIYFR-JTQLQIEISA-N -1 3 260.301 1.183 20 30 CDEDHM C=C[C@@H](COC)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001602804672 1175407759 /nfs/dbraw/zinc/40/77/59/1175407759.db2.gz VYFYPTNZKOIYFR-JTQLQIEISA-N -1 3 260.301 1.183 20 30 CDEDHM C=C[C@@H](C(=O)[O-])N1CCC2(CC1)C(F)(F)C2(F)F ZINC001602805314 1175408058 /nfs/dbraw/zinc/40/80/58/1175408058.db2.gz YRNPIRCAIVMYNG-ZETCQYMHSA-N -1 3 267.222 1.992 20 30 CDEDHM C=CC[C@H](C)NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602811504 1175412120 /nfs/dbraw/zinc/41/21/20/1175412120.db2.gz NWXCHMJUCSIRKN-NSHDSACASA-N -1 3 297.362 1.979 20 30 CDEDHM C=CC[C@H](C)NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602811504 1175412126 /nfs/dbraw/zinc/41/21/26/1175412126.db2.gz NWXCHMJUCSIRKN-NSHDSACASA-N -1 3 297.362 1.979 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602825596 1175417854 /nfs/dbraw/zinc/41/78/54/1175417854.db2.gz ZBKWWLLAJYOGAU-NSHDSACASA-N -1 3 299.334 1.666 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602825596 1175417860 /nfs/dbraw/zinc/41/78/60/1175417860.db2.gz ZBKWWLLAJYOGAU-NSHDSACASA-N -1 3 299.334 1.666 20 30 CDEDHM C[C@@H]1CCN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@H]1F ZINC001603912468 1175682710 /nfs/dbraw/zinc/68/27/10/1175682710.db2.gz RKGSPBJNWHIZCL-BXKDBHETSA-N -1 3 286.314 1.923 20 30 CDEDHM C[C@@H]1CCN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@H]1F ZINC001603912468 1175682714 /nfs/dbraw/zinc/68/27/14/1175682714.db2.gz RKGSPBJNWHIZCL-BXKDBHETSA-N -1 3 286.314 1.923 20 30 CDEDHM Cc1cc(CN2CCC([C@@H](O)C(=O)[O-])CC2)ccc1C#N ZINC001607637664 1164249166 /nfs/dbraw/zinc/24/91/66/1164249166.db2.gz FYDRZJBKYVVXPV-OAHLLOKOSA-N -1 3 288.347 1.524 20 30 CDEDHM C=CCCO[N-]C(=O)CCSc1ncnc2[nH]cnc21 ZINC000824652536 782249389 /nfs/dbraw/zinc/24/93/89/782249389.db2.gz FEXBETLPLYIOFD-UHFFFAOYSA-N -1 3 293.352 1.459 20 30 CDEDHM C#CCN1CCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001034179433 782346920 /nfs/dbraw/zinc/34/69/20/782346920.db2.gz AGRHBLWAMWZJPP-LBPRGKRZSA-N -1 3 273.336 1.005 20 30 CDEDHM C=CCC[C@@H](O)CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001609324568 1164900981 /nfs/dbraw/zinc/90/09/81/1164900981.db2.gz DGCYMUQWPWXFQV-IUODEOHRSA-N -1 3 278.352 1.688 20 30 CDEDHM Cc1ccc(F)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1F ZINC000848136382 782400493 /nfs/dbraw/zinc/40/04/93/782400493.db2.gz WDVWZWUEPIUDPW-SECBINFHSA-N -1 3 284.262 1.383 20 30 CDEDHM COc1cc(C#N)ccc1CN[C@]1(CC(=O)[O-])CCOC1 ZINC001610280264 1165283526 /nfs/dbraw/zinc/28/35/26/1165283526.db2.gz YFMBQZQCXDKQTQ-HNNXBMFYSA-N -1 3 290.319 1.290 20 30 CDEDHM C#CCOCCNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000823856298 782869272 /nfs/dbraw/zinc/86/92/72/782869272.db2.gz OPMOPBQGWXLIHH-UHFFFAOYSA-N -1 3 298.350 1.202 20 30 CDEDHM C#CCOCCNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000823856298 782869273 /nfs/dbraw/zinc/86/92/73/782869273.db2.gz OPMOPBQGWXLIHH-UHFFFAOYSA-N -1 3 298.350 1.202 20 30 CDEDHM O=C(C/N=C/c1cc(Cl)ccc1[O-])NCC(F)F ZINC000794848571 782871743 /nfs/dbraw/zinc/87/17/43/782871743.db2.gz RAXQRPQHDFJDLD-SYZQJQIISA-N -1 3 276.670 1.846 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H]1CC12CCCC2 ZINC000848137137 780336907 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Cc1cc(C)cc(Cn2cnc(C#N)c2-c2nnn[n-]2)c1 ZINC000826264538 929978435 /nfs/dbraw/zinc/97/84/35/929978435.db2.gz ROYQTESSHLRSFP-UHFFFAOYSA-N -1 3 279.307 1.600 20 30 CDEDHM Cc1cn(CCOc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000826316994 930183426 /nfs/dbraw/zinc/18/34/26/930183426.db2.gz IGEDBWZPXFKLTL-UHFFFAOYSA-N -1 3 294.318 1.927 20 30 CDEDHM Cc1cn(CCOc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000826316994 930183432 /nfs/dbraw/zinc/18/34/32/930183432.db2.gz IGEDBWZPXFKLTL-UHFFFAOYSA-N -1 3 294.318 1.927 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H](c1ccccc1)C1CC1 ZINC000816756720 930358414 /nfs/dbraw/zinc/35/84/14/930358414.db2.gz CWTRKYACAZGRRA-ZIAGYGMSSA-N -1 3 288.347 1.677 20 30 CDEDHM CCc1ccc(OCC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000816755875 930359234 /nfs/dbraw/zinc/35/92/34/930359234.db2.gz KYHZDVKLLDVESZ-ZDUSSCGKSA-N -1 3 292.335 1.124 20 30 CDEDHM CCO[C@@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000816758288 930361225 /nfs/dbraw/zinc/36/12/25/930361225.db2.gz MBZLXNCZGANYNM-CHWSQXEVSA-N -1 3 292.335 1.261 20 30 CDEDHM CCC[C@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccn1 ZINC000816759508 930361441 /nfs/dbraw/zinc/36/14/41/930361441.db2.gz NYQLMKVHYTZHSD-WCQYABFASA-N -1 3 291.351 1.462 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826381045 930440915 /nfs/dbraw/zinc/44/09/15/930440915.db2.gz VTRUXQBESRVFOD-ZWNOBZJWSA-N -1 3 286.314 1.788 20 30 CDEDHM CC(C)(C)CCCC(=O)N[C@H]1CCCN([O-])C1=O ZINC000820482006 930925890 /nfs/dbraw/zinc/92/58/90/930925890.db2.gz CBVZJSFCAFEHLI-JTQLQIEISA-N -1 3 256.346 1.699 20 30 CDEDHM N#CCc1ccccc1CC(=O)[N-]OCC(F)(F)F ZINC000777420407 931469249 /nfs/dbraw/zinc/46/92/49/931469249.db2.gz RSKVBZDGXZCHHS-UHFFFAOYSA-N -1 3 272.226 1.905 20 30 CDEDHM Cc1noc([N-]C(=O)[C@@H](O)c2ccccc2C)c1C#N ZINC001144518506 931870759 /nfs/dbraw/zinc/87/07/59/931870759.db2.gz IZPSASMEOOXWFX-LBPRGKRZSA-N -1 3 271.276 1.835 20 30 CDEDHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(C#N)cc2)n1 ZINC001144549048 931894443 /nfs/dbraw/zinc/89/44/43/931894443.db2.gz 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C=CCN1CCC(NC(=O)CC(C)(C)CC(=O)[O-])CC1 ZINC000833377028 605259712 /nfs/dbraw/zinc/25/97/12/605259712.db2.gz KFIBNWJBEBBYIL-UHFFFAOYSA-N -1 3 282.384 1.644 20 30 CDEDHM C=C(C)CCOC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602758891 1175391387 /nfs/dbraw/zinc/39/13/87/1175391387.db2.gz TWFZGXWYZRWLKU-GFCCVEGCSA-N -1 3 288.307 1.410 20 30 CDEDHM C=C(C)CCOC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602758891 1175391391 /nfs/dbraw/zinc/39/13/91/1175391391.db2.gz TWFZGXWYZRWLKU-GFCCVEGCSA-N -1 3 288.307 1.410 20 30 CDEDHM C=C(C)CONC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001602763104 1175393056 /nfs/dbraw/zinc/39/30/56/1175393056.db2.gz AXZCBRLFCAWYJJ-UHFFFAOYSA-N -1 3 280.313 1.557 20 30 CDEDHM C=C(C)CONC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001602763104 1175393061 /nfs/dbraw/zinc/39/30/61/1175393061.db2.gz AXZCBRLFCAWYJJ-UHFFFAOYSA-N -1 3 280.313 1.557 20 30 CDEDHM N#C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000822801176 606205940 /nfs/dbraw/zinc/20/59/40/606205940.db2.gz GBYHPVZTSHPJID-LLVKDONJSA-N -1 3 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CN(CC(C)(C)C#N)c1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001604713150 1163292246 /nfs/dbraw/zinc/29/22/46/1163292246.db2.gz ZYJRYHTVIXHULX-UHFFFAOYSA-N -1 3 297.366 1.736 20 30 CDEDHM CO[C@@H]1CCC[C@@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001605029938 1163425178 /nfs/dbraw/zinc/42/51/78/1163425178.db2.gz HKRBUAIDHIDQFT-DGCLKSJQSA-N -1 3 298.350 1.965 20 30 CDEDHM CO[C@@H]1CCC[C@@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001605029938 1163425180 /nfs/dbraw/zinc/42/51/80/1163425180.db2.gz HKRBUAIDHIDQFT-DGCLKSJQSA-N -1 3 298.350 1.965 20 30 CDEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cnccn1 ZINC000811188036 1163433299 /nfs/dbraw/zinc/43/32/99/1163433299.db2.gz TWKBZGOVXRPYAY-SECBINFHSA-N -1 3 269.260 1.972 20 30 CDEDHM N#C[C@H]1C[C@H]1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001606354718 1163877079 /nfs/dbraw/zinc/87/70/79/1163877079.db2.gz RTOWGDCLPWRMHA-BXKDBHETSA-N -1 3 294.318 1.842 20 30 CDEDHM N#C[C@H]1C[C@H]1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001606354718 1163877085 /nfs/dbraw/zinc/87/70/85/1163877085.db2.gz RTOWGDCLPWRMHA-BXKDBHETSA-N -1 3 294.318 1.842 20 30 CDEDHM N#Cc1ncc(Oc2ccccc2-c2nnn[n-]2)nc1C#N ZINC001606398319 1163889080 /nfs/dbraw/zinc/88/90/80/1163889080.db2.gz WJRKTRCIYWUOHT-UHFFFAOYSA-N -1 3 290.246 1.192 20 30 CDEDHM N#Cc1ncc(Oc2ccccc2-c2nn[n-]n2)nc1C#N ZINC001606398319 1163889085 /nfs/dbraw/zinc/88/90/85/1163889085.db2.gz WJRKTRCIYWUOHT-UHFFFAOYSA-N -1 3 290.246 1.192 20 30 CDEDHM C=CCN(CCC#N)C(=O)c1nnc2ccccc2c1[O-] ZINC000814137247 1164049037 /nfs/dbraw/zinc/04/90/37/1164049037.db2.gz NQLFFBLWKXRPGK-UHFFFAOYSA-N -1 3 282.303 1.877 20 30 CDEDHM Cc1ncc(CO)c(/C=N/Cc2cnn3ccccc23)c1[O-] ZINC000794676198 1164535135 /nfs/dbraw/zinc/53/51/35/1164535135.db2.gz KHCKSKAOQPJCOY-RQZCQDPDSA-N -1 3 296.330 1.855 20 30 CDEDHM C#C[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001609019013 1164725512 /nfs/dbraw/zinc/72/55/12/1164725512.db2.gz KTJVNUKJETXJGM-ZDUSSCGKSA-N -1 3 299.334 1.020 20 30 CDEDHM CC1(C)CCCN(Cc2ccncc2-c2nnn[n-]2)[C@@H]1C#N ZINC001609145677 1164794558 /nfs/dbraw/zinc/79/45/58/1164794558.db2.gz XRUBNUNPMHPBFA-CYBMUJFWSA-N -1 3 297.366 1.776 20 30 CDEDHM CC1(C)CCCN(Cc2ccncc2-c2nn[n-]n2)[C@@H]1C#N ZINC001609145677 1164794568 /nfs/dbraw/zinc/79/45/68/1164794568.db2.gz XRUBNUNPMHPBFA-CYBMUJFWSA-N -1 3 297.366 1.776 20 30 CDEDHM C[C@]1(O)CCCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001609150538 1164796965 /nfs/dbraw/zinc/79/69/65/1164796965.db2.gz DZGLDTJWTOOPNY-HNNXBMFYSA-N -1 3 298.350 1.480 20 30 CDEDHM C[C@]1(O)CCCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001609150538 1164796972 /nfs/dbraw/zinc/79/69/72/1164796972.db2.gz DZGLDTJWTOOPNY-HNNXBMFYSA-N -1 3 298.350 1.480 20 30 CDEDHM COc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1C#N ZINC001609348032 1164908954 /nfs/dbraw/zinc/90/89/54/1164908954.db2.gz AQCSQVPSASITBM-UHFFFAOYSA-N -1 3 294.274 1.934 20 30 CDEDHM Cc1c(NC(=O)c2ccc(C#N)o2)cccc1-c1nnn[n-]1 ZINC001609385299 1164919973 /nfs/dbraw/zinc/91/99/73/1164919973.db2.gz CQQRQFHRDQOHDX-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1c(NC(=O)c2ccc(C#N)o2)cccc1-c1nn[n-]n1 ZINC001609385299 1164919979 /nfs/dbraw/zinc/91/99/79/1164919979.db2.gz CQQRQFHRDQOHDX-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM C=CCNC(=O)CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001609398995 1164928215 /nfs/dbraw/zinc/92/82/15/1164928215.db2.gz VSNQNHQJIUYBMD-ZIAGYGMSSA-N -1 3 288.347 1.089 20 30 CDEDHM Cc1cc(Cn2cccc(C#N)c2=O)ccc1-c1nnn[n-]1 ZINC001609403819 1164932704 /nfs/dbraw/zinc/93/27/04/1164932704.db2.gz MBXXRPODIVIPHB-UHFFFAOYSA-N -1 3 292.302 1.257 20 30 CDEDHM Cc1cc(Cn2cccc(C#N)c2=O)ccc1-c1nn[n-]n1 ZINC001609403819 1164932706 /nfs/dbraw/zinc/93/27/06/1164932706.db2.gz MBXXRPODIVIPHB-UHFFFAOYSA-N -1 3 292.302 1.257 20 30 CDEDHM Cn1nccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609483188 1164969986 /nfs/dbraw/zinc/96/99/86/1164969986.db2.gz OAJMNNMTAHTCBD-AATRIKPKSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1nccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609483188 1164969988 /nfs/dbraw/zinc/96/99/88/1164969988.db2.gz OAJMNNMTAHTCBD-AATRIKPKSA-N -1 3 280.291 1.496 20 30 CDEDHM N#CC1(CN2CCc3ccc(-c4nnn[n-]4)cc32)CC1 ZINC001609493400 1164975504 /nfs/dbraw/zinc/97/55/04/1164975504.db2.gz HOZZPMTVLPKYJI-UHFFFAOYSA-N -1 3 266.308 1.533 20 30 CDEDHM N#CC1(CN2CCc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC001609493400 1164975511 /nfs/dbraw/zinc/97/55/11/1164975511.db2.gz HOZZPMTVLPKYJI-UHFFFAOYSA-N -1 3 266.308 1.533 20 30 CDEDHM CSc1cccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000877907673 1166116135 /nfs/dbraw/zinc/11/61/35/1166116135.db2.gz BBBWOEAOYVRXRI-LLVKDONJSA-N -1 3 295.364 1.910 20 30 CDEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCNC[C@H]1C(C)C ZINC001579553746 1172210499 /nfs/dbraw/zinc/21/04/99/1172210499.db2.gz AKTYFOWNJJLQGQ-LBPRGKRZSA-N -1 3 288.351 1.037 20 30 CDEDHM N#Cc1ccnnc1NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001581876824 1172627304 /nfs/dbraw/zinc/62/73/04/1172627304.db2.gz IIZOFXGWOOBMDW-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1ccnnc1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001581876824 1172627308 /nfs/dbraw/zinc/62/73/08/1172627308.db2.gz IIZOFXGWOOBMDW-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM C#C[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588326650 1173028783 /nfs/dbraw/zinc/02/87/83/1173028783.db2.gz RGAYDTOJKOSFHM-SSDOTTSWSA-N -1 3 274.259 1.149 20 30 CDEDHM C#C[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588326650 1173028789 /nfs/dbraw/zinc/02/87/89/1173028789.db2.gz RGAYDTOJKOSFHM-SSDOTTSWSA-N -1 3 274.259 1.149 20 30 CDEDHM C#CC[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588337290 1173040154 /nfs/dbraw/zinc/04/01/54/1173040154.db2.gz MNPAGTWZTIBQKO-NSHDSACASA-N -1 3 296.334 1.744 20 30 CDEDHM C#CC[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588337290 1173040164 /nfs/dbraw/zinc/04/01/64/1173040164.db2.gz MNPAGTWZTIBQKO-NSHDSACASA-N -1 3 296.334 1.744 20 30 CDEDHM C#CCCCNC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588345426 1173044552 /nfs/dbraw/zinc/04/45/52/1173044552.db2.gz GDPMKNBGQZNPBM-UHFFFAOYSA-N -1 3 283.335 1.627 20 30 CDEDHM C#CCCCNC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588345426 1173044558 /nfs/dbraw/zinc/04/45/58/1173044558.db2.gz GDPMKNBGQZNPBM-UHFFFAOYSA-N -1 3 283.335 1.627 20 30 CDEDHM C#CCSCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001588363994 1173053571 /nfs/dbraw/zinc/05/35/71/1173053571.db2.gz MRYWMSZVBLHTMZ-UHFFFAOYSA-N -1 3 294.361 1.451 20 30 CDEDHM C#CCSCCOC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001588363994 1173053580 /nfs/dbraw/zinc/05/35/80/1173053580.db2.gz MRYWMSZVBLHTMZ-UHFFFAOYSA-N -1 3 294.361 1.451 20 30 CDEDHM C(=NNCC1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588381751 1173058125 /nfs/dbraw/zinc/05/81/25/1173058125.db2.gz SPKRVHGYWXGVCG-UHFFFAOYSA-N -1 3 286.339 1.217 20 30 CDEDHM C(=NNCC1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588381751 1173058131 /nfs/dbraw/zinc/05/81/31/1173058131.db2.gz SPKRVHGYWXGVCG-UHFFFAOYSA-N -1 3 286.339 1.217 20 30 CDEDHM C=C1CC(C)(C(=O)NCc2cncc(-c3nnn[n-]3)c2)C1 ZINC001588454064 1173067626 /nfs/dbraw/zinc/06/76/26/1173067626.db2.gz IXRFDGBJJWXSLH-UHFFFAOYSA-N -1 3 284.323 1.234 20 30 CDEDHM C=C1CC(C)(C(=O)NCc2cncc(-c3nn[n-]n3)c2)C1 ZINC001588454064 1173067629 /nfs/dbraw/zinc/06/76/29/1173067629.db2.gz IXRFDGBJJWXSLH-UHFFFAOYSA-N -1 3 284.323 1.234 20 30 CDEDHM C=CCNC(=O)[C@H](C)Sc1ccncc1-c1nnn[n-]1 ZINC001588658640 1173095293 /nfs/dbraw/zinc/09/52/93/1173095293.db2.gz DHPDSJUBDOIAHM-QMMMGPOBSA-N -1 3 290.352 1.045 20 30 CDEDHM C=CCNC(=O)[C@H](C)Sc1ccncc1-c1nn[n-]n1 ZINC001588658640 1173095303 /nfs/dbraw/zinc/09/53/03/1173095303.db2.gz DHPDSJUBDOIAHM-QMMMGPOBSA-N -1 3 290.352 1.045 20 30 CDEDHM C=CCOCC(=O)OCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588680768 1173095490 /nfs/dbraw/zinc/09/54/90/1173095490.db2.gz CKJLRSXYWDAKFV-UHFFFAOYSA-N -1 3 288.307 1.421 20 30 CDEDHM C=CCOCC(=O)OCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588680768 1173095497 /nfs/dbraw/zinc/09/54/97/1173095497.db2.gz CKJLRSXYWDAKFV-UHFFFAOYSA-N -1 3 288.307 1.421 20 30 CDEDHM C=CCNC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588658560 1173096097 /nfs/dbraw/zinc/09/60/97/1173096097.db2.gz PVDAZCRPQXNMSX-UHFFFAOYSA-N -1 3 298.350 1.750 20 30 CDEDHM C=CCNC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588658560 1173096101 /nfs/dbraw/zinc/09/61/01/1173096101.db2.gz PVDAZCRPQXNMSX-UHFFFAOYSA-N -1 3 298.350 1.750 20 30 CDEDHM C=CCO[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001588665037 1173096754 /nfs/dbraw/zinc/09/67/54/1173096754.db2.gz CRSBTMBZAJETLK-SECBINFHSA-N -1 3 292.368 1.413 20 30 CDEDHM CC(C)[C@@H](C#N)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001589762221 1173176985 /nfs/dbraw/zinc/17/69/85/1173176985.db2.gz JVFSTSXYLMBHAF-LLVKDONJSA-N -1 3 288.286 1.284 20 30 CDEDHM C[C@@H](CC#N)NC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c21 ZINC001589788377 1173182170 /nfs/dbraw/zinc/18/21/70/1173182170.db2.gz XKWQVRVOARMGLM-QMMMGPOBSA-N -1 3 295.306 1.380 20 30 CDEDHM C[C@@H](CC#N)NC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c21 ZINC001589788377 1173182173 /nfs/dbraw/zinc/18/21/73/1173182173.db2.gz XKWQVRVOARMGLM-QMMMGPOBSA-N -1 3 295.306 1.380 20 30 CDEDHM C[C@@H](CO)CCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589885491 1173196459 /nfs/dbraw/zinc/19/64/59/1173196459.db2.gz AFVJOUBIFGADFW-SNVBAGLBSA-N -1 3 286.339 1.559 20 30 CDEDHM C[C@@H](CO)CCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589885491 1173196461 /nfs/dbraw/zinc/19/64/61/1173196461.db2.gz AFVJOUBIFGADFW-SNVBAGLBSA-N -1 3 286.339 1.559 20 30 CDEDHM C[C@H](Nc1cc(C#N)ncn1)c1cccc(-c2nnn[n-]2)c1 ZINC001589979886 1173222529 /nfs/dbraw/zinc/22/25/29/1173222529.db2.gz BHIPUZZUWDDGOC-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@H](Nc1cc(C#N)ncn1)c1cccc(-c2nn[n-]n2)c1 ZINC001589979886 1173222536 /nfs/dbraw/zinc/22/25/36/1173222536.db2.gz BHIPUZZUWDDGOC-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@@](C)(C#N)C1 ZINC001590048904 1173239699 /nfs/dbraw/zinc/23/96/99/1173239699.db2.gz LTWWIXSTUSOLMA-ABAIWWIYSA-N -1 3 298.350 1.542 20 30 CDEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@@](C)(C#N)C1 ZINC001590048904 1173239704 /nfs/dbraw/zinc/23/97/04/1173239704.db2.gz LTWWIXSTUSOLMA-ABAIWWIYSA-N -1 3 298.350 1.542 20 30 CDEDHM C[C@@H]1CCCN1c1c(C#N)cccc1-c1nnn[n-]1 ZINC001590263359 1173328035 /nfs/dbraw/zinc/32/80/35/1173328035.db2.gz CODZCXVWSYLFJC-SECBINFHSA-N -1 3 254.297 1.727 20 30 CDEDHM C[C@@H]1CCCN1c1c(C#N)cccc1-c1nn[n-]n1 ZINC001590263359 1173328043 /nfs/dbraw/zinc/32/80/43/1173328043.db2.gz CODZCXVWSYLFJC-SECBINFHSA-N -1 3 254.297 1.727 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCC[C@@H]1C#N ZINC001591137360 1173578718 /nfs/dbraw/zinc/57/87/18/1173578718.db2.gz XNJKTRJUCWVKEV-ZWNOBZJWSA-N -1 3 283.339 1.386 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCC[C@@H]1C#N ZINC001591137360 1173578722 /nfs/dbraw/zinc/57/87/22/1173578722.db2.gz XNJKTRJUCWVKEV-ZWNOBZJWSA-N -1 3 283.339 1.386 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1NCC1(CC#N)CC1 ZINC001591494522 1173662660 /nfs/dbraw/zinc/66/26/60/1173662660.db2.gz IFHBFQSRXAZHFB-UHFFFAOYSA-N -1 3 284.323 1.981 20 30 CDEDHM COc1cc(CN=Nc2ncccn2)ccc1-c1nnn[n-]1 ZINC001591522378 1173664070 /nfs/dbraw/zinc/66/40/70/1173664070.db2.gz GLMTYTNIJSOBPQ-UHFFFAOYSA-N -1 3 296.294 1.111 20 30 CDEDHM COc1cc(CN=Nc2ncccn2)ccc1-c1nn[n-]n1 ZINC001591522378 1173664074 /nfs/dbraw/zinc/66/40/74/1173664074.db2.gz GLMTYTNIJSOBPQ-UHFFFAOYSA-N -1 3 296.294 1.111 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N[C@@H](C)CC#N ZINC001591840035 1173713650 /nfs/dbraw/zinc/71/36/50/1173713650.db2.gz POVDKSARRQZJNO-JTQLQIEISA-N -1 3 284.323 1.516 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N[C@@H](C)CC#N ZINC001591840035 1173713655 /nfs/dbraw/zinc/71/36/55/1173713655.db2.gz POVDKSARRQZJNO-JTQLQIEISA-N -1 3 284.323 1.516 20 30 CDEDHM Cc1cc(C(=O)N(C)[C@H](C)CC#N)cc(C)c1-c1nnn[n-]1 ZINC001591908359 1173744971 /nfs/dbraw/zinc/74/49/71/1173744971.db2.gz YGKBIDIFPMWBDK-LLVKDONJSA-N -1 3 298.350 1.858 20 30 CDEDHM Cc1cc(C(=O)N(C)[C@H](C)CC#N)cc(C)c1-c1nn[n-]n1 ZINC001591908359 1173744985 /nfs/dbraw/zinc/74/49/85/1173744985.db2.gz YGKBIDIFPMWBDK-LLVKDONJSA-N -1 3 298.350 1.858 20 30 CDEDHM Cc1cc(C#N)ccc1Oc1cc(-c2nnn[n-]2)cnn1 ZINC001591906382 1173745524 /nfs/dbraw/zinc/74/55/24/1173745524.db2.gz FUWJSQDMZHGIAQ-UHFFFAOYSA-N -1 3 279.263 1.629 20 30 CDEDHM Cc1cc(C#N)ccc1Oc1cc(-c2nn[n-]n2)cnn1 ZINC001591906382 1173745527 /nfs/dbraw/zinc/74/55/27/1173745527.db2.gz FUWJSQDMZHGIAQ-UHFFFAOYSA-N -1 3 279.263 1.629 20 30 CDEDHM Cc1ccc(C(=O)N[C@H](C#N)C(C)C)cc1-c1nnn[n-]1 ZINC001592128938 1173807728 /nfs/dbraw/zinc/80/77/28/1173807728.db2.gz CWVIWCUNOQQGMF-GFCCVEGCSA-N -1 3 284.323 1.453 20 30 CDEDHM Cc1ccc(C(=O)N[C@H](C#N)C(C)C)cc1-c1nn[n-]n1 ZINC001592128938 1173807736 /nfs/dbraw/zinc/80/77/36/1173807736.db2.gz CWVIWCUNOQQGMF-GFCCVEGCSA-N -1 3 284.323 1.453 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1cccc(C)c1 ZINC001592232568 1173835993 /nfs/dbraw/zinc/83/59/93/1173835993.db2.gz VPOPHGYHCYGVCK-UHFFFAOYSA-N -1 3 279.307 1.600 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1cccc(C)c1 ZINC001592232568 1173835998 /nfs/dbraw/zinc/83/59/98/1173835998.db2.gz VPOPHGYHCYGVCK-UHFFFAOYSA-N -1 3 279.307 1.600 20 30 CDEDHM Cc1nc(N2CCC(CC#N)CC2)ccc1-c1nnn[n-]1 ZINC001592366471 1173868920 /nfs/dbraw/zinc/86/89/20/1173868920.db2.gz QNSAMLYKWFLXLG-UHFFFAOYSA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1nc(N2CCC(CC#N)CC2)ccc1-c1nn[n-]n1 ZINC001592366471 1173868926 /nfs/dbraw/zinc/86/89/26/1173868926.db2.gz QNSAMLYKWFLXLG-UHFFFAOYSA-N -1 3 283.339 1.700 20 30 CDEDHM N#CCCCC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001592674562 1173965135 /nfs/dbraw/zinc/96/51/35/1173965135.db2.gz FFFCHFYYHNCQPT-UHFFFAOYSA-N -1 3 296.334 1.840 20 30 CDEDHM N#CCCCC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001592674562 1173965138 /nfs/dbraw/zinc/96/51/38/1173965138.db2.gz FFFCHFYYHNCQPT-UHFFFAOYSA-N -1 3 296.334 1.840 20 30 CDEDHM N#CCN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001592677451 1173968966 /nfs/dbraw/zinc/96/89/66/1173968966.db2.gz MHZVWXVAYAQIQB-UHFFFAOYSA-N -1 3 254.297 1.355 20 30 CDEDHM N#CCN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001592677451 1173968970 /nfs/dbraw/zinc/96/89/70/1173968970.db2.gz MHZVWXVAYAQIQB-UHFFFAOYSA-N -1 3 254.297 1.355 20 30 CDEDHM N#Cc1ccc(CNc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC001592694346 1173970299 /nfs/dbraw/zinc/97/02/99/1173970299.db2.gz RTTSLLNCWMWSSZ-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC001592694346 1173970304 /nfs/dbraw/zinc/97/03/04/1173970304.db2.gz RTTSLLNCWMWSSZ-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1ccc(NC(=O)c2cnccc2-c2nnn[n-]2)cc1 ZINC001592696303 1173973512 /nfs/dbraw/zinc/97/35/12/1173973512.db2.gz WUICTVGNLGCZMY-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1ccc(NC(=O)c2cnccc2-c2nn[n-]n2)cc1 ZINC001592696303 1173973518 /nfs/dbraw/zinc/97/35/18/1173973518.db2.gz WUICTVGNLGCZMY-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CO[C@H](C2CC2)C1 ZINC001593549564 1174120707 /nfs/dbraw/zinc/12/07/07/1174120707.db2.gz YKNMLSJHYDOCDU-AWEZNQCLSA-N -1 3 298.350 1.511 20 30 CDEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CO[C@H](C2CC2)C1 ZINC001593549564 1174120712 /nfs/dbraw/zinc/12/07/12/1174120712.db2.gz YKNMLSJHYDOCDU-AWEZNQCLSA-N -1 3 298.350 1.511 20 30 CDEDHM N#CC1(C(=O)[O-])CCN(CC[C@H](O)c2ccccc2)CC1 ZINC001601052663 1174716063 /nfs/dbraw/zinc/71/60/63/1174716063.db2.gz FXAGMEBFNZLPTL-AWEZNQCLSA-N -1 3 288.347 1.800 20 30 CDEDHM N#Cc1cc(CN[C@@]2(CC(=O)[O-])CCOC2)cs1 ZINC001601087906 1174736333 /nfs/dbraw/zinc/73/63/33/1174736333.db2.gz MHONGTKXNCIXRG-GFCCVEGCSA-N -1 3 266.322 1.343 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602689906 1175355269 /nfs/dbraw/zinc/35/52/69/1175355269.db2.gz ORFNRFULRWWSBD-NSHDSACASA-N -1 3 295.346 1.378 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602689906 1175355276 /nfs/dbraw/zinc/35/52/76/1175355276.db2.gz ORFNRFULRWWSBD-NSHDSACASA-N -1 3 295.346 1.378 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001602691558 1175357137 /nfs/dbraw/zinc/35/71/37/1175357137.db2.gz ZPMAVGGDVACYHW-JTQLQIEISA-N -1 3 284.323 1.131 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001602691558 1175357148 /nfs/dbraw/zinc/35/71/48/1175357148.db2.gz 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/nfs/dbraw/zinc/39/22/08/1175392208.db2.gz INVVBMIWGOPAGQ-UHFFFAOYSA-N -1 3 278.341 1.934 20 30 CDEDHM C=C(Cl)CNC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001602770697 1175394368 /nfs/dbraw/zinc/39/43/68/1175394368.db2.gz UDZFCFHCXVHIDY-UHFFFAOYSA-N -1 3 293.714 1.358 20 30 CDEDHM C=C(Cl)CNC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001602770697 1175394373 /nfs/dbraw/zinc/39/43/73/1175394373.db2.gz UDZFCFHCXVHIDY-UHFFFAOYSA-N -1 3 293.714 1.358 20 30 CDEDHM C=C[C@H](C(=O)[O-])N1CCC(O)(Cc2nc(C)cs2)CC1 ZINC001602805275 1175407096 /nfs/dbraw/zinc/40/70/96/1175407096.db2.gz XRTYWQIRQMVORX-LLVKDONJSA-N -1 3 296.392 1.460 20 30 CDEDHM C=CCN(CCC#N)Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602852503 1175435444 /nfs/dbraw/zinc/43/54/44/1175435444.db2.gz TXAKOOISGLNJDM-UHFFFAOYSA-N -1 3 298.350 1.777 20 30 CDEDHM C=CCN(CCC#N)Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602852503 1175435447 /nfs/dbraw/zinc/43/54/47/1175435447.db2.gz TXAKOOISGLNJDM-UHFFFAOYSA-N -1 3 298.350 1.777 20 30 CDEDHM CC#CCN(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] 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CDEDHM C(=NOC[C@H]1CCOC1)c1cc(-c2nnn[n-]2)cs1 ZINC001609022444 1164730943 /nfs/dbraw/zinc/73/09/43/1164730943.db2.gz SDRWAUJJSKGZEP-QMMMGPOBSA-N -1 3 279.325 1.315 20 30 CDEDHM C(=NOC[C@H]1CCOC1)c1cc(-c2nn[n-]n2)cs1 ZINC001609022444 1164730947 /nfs/dbraw/zinc/73/09/47/1164730947.db2.gz SDRWAUJJSKGZEP-QMMMGPOBSA-N -1 3 279.325 1.315 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001609487439 1164972305 /nfs/dbraw/zinc/97/23/05/1164972305.db2.gz QISSAKSXMQHNLB-BBBLOLIVSA-N -1 3 251.282 1.972 20 30 CDEDHM C=CCOCCN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879765163 1166409433 /nfs/dbraw/zinc/40/94/33/1166409433.db2.gz BGWUBXGIOYJZLI-LLVKDONJSA-N -1 3 280.290 1.332 20 30 CDEDHM O=C([O-])C12CC(C1)CN2CC#Cc1ccc(F)cc1 ZINC001608581953 1167926913 /nfs/dbraw/zinc/92/69/13/1167926913.db2.gz OJVYEPAHGSMKCV-UHFFFAOYSA-N -1 3 259.280 1.726 20 30 CDEDHM C=CCN1CC[C@@H]1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001038374835 900084020 /nfs/dbraw/zinc/08/40/20/900084020.db2.gz 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ZINC001187008097 920287660 /nfs/dbraw/zinc/28/76/60/920287660.db2.gz KYXCWGWFGYIYJN-UHFFFAOYSA-N -1 3 277.353 1.305 20 30 CDEDHM Cc1oncc1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC001187393598 920544149 /nfs/dbraw/zinc/54/41/49/920544149.db2.gz HMZGLKWKKQNLMG-UHFFFAOYSA-N -1 3 269.326 1.488 20 30 CDEDHM C#C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)[C@H]1CCCO1 ZINC000775348614 921828826 /nfs/dbraw/zinc/82/88/26/921828826.db2.gz QXSNFOCUMAUEPA-DZGCQCFKSA-N -1 3 296.326 1.439 20 30 CDEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c1 ZINC001190660733 922104430 /nfs/dbraw/zinc/10/44/30/922104430.db2.gz DSKKOOPCXFMUCZ-NSHDSACASA-N -1 3 298.339 1.545 20 30 CDEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(C(=O)OC)nc2)CC1 ZINC001190765743 922180952 /nfs/dbraw/zinc/18/09/52/922180952.db2.gz CURVLTNPJBIWIP-UHFFFAOYSA-N -1 3 296.348 1.719 20 30 CDEDHM C=CCO[N-]C(=O)Cc1cccc(S(=O)(=O)CC)c1 ZINC000837048052 936820984 /nfs/dbraw/zinc/82/09/84/936820984.db2.gz JMBZUOWAPAHYLG-UHFFFAOYSA-N -1 3 283.349 1.257 20 30 CDEDHM 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258.277 1.408 20 30 CDEDHM C#C[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(C)C ZINC000281449727 195244828 /nfs/dbraw/zinc/24/48/28/195244828.db2.gz HSSDXYFAPPKINC-MRVPVSSYSA-N -1 3 275.761 1.010 20 30 CDEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116905282 260007498 /nfs/dbraw/zinc/00/74/98/260007498.db2.gz OTZNRAWHAIJMQR-SECBINFHSA-N -1 3 270.310 1.838 20 30 CDEDHM C#C[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)C(C)C ZINC000281506358 195269923 /nfs/dbraw/zinc/26/99/23/195269923.db2.gz LCHIDUCOBRROGM-NSHDSACASA-N -1 3 272.757 1.671 20 30 CDEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000281615293 195308925 /nfs/dbraw/zinc/30/89/25/195308925.db2.gz SXLZMRQREMDDPH-LLVKDONJSA-N -1 3 255.314 1.762 20 30 CDEDHM C#C[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000124040179 390912977 /nfs/dbraw/zinc/91/29/77/390912977.db2.gz CHPIPTBRMARVCB-JTQLQIEISA-N -1 3 282.321 1.512 20 30 CDEDHM C[C@@H](C#N)S(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000352413927 391127710 /nfs/dbraw/zinc/12/77/10/391127710.db2.gz RLAPAWSNCIAQST-QMMMGPOBSA-N -1 3 297.361 1.735 20 30 CDEDHM CO[C@@H](C/N=C/c1c([O-])c(C)ncc1CO)C(C)C ZINC000266763055 391179871 /nfs/dbraw/zinc/17/98/71/391179871.db2.gz WBUGCUISICXRQS-CODCLWSRSA-N -1 3 266.341 1.678 20 30 CDEDHM COC[C@](C)(C#N)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000271220256 391290301 /nfs/dbraw/zinc/29/03/01/391290301.db2.gz AVJQTXSDSMZHNR-AWEZNQCLSA-N -1 3 262.309 1.668 20 30 CDEDHM CC#CCC[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000359989323 391629437 /nfs/dbraw/zinc/62/94/37/391629437.db2.gz WYUWJVFHWBKFNY-UHFFFAOYSA-N -1 3 271.313 1.526 20 30 CDEDHM C#C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)C(C)C ZINC000281941840 391665965 /nfs/dbraw/zinc/66/59/65/391665965.db2.gz CCQRCNQPMRIMNH-SNVBAGLBSA-N -1 3 260.272 1.485 20 30 CDEDHM C#C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)C(C)C ZINC000281941840 391665968 /nfs/dbraw/zinc/66/59/68/391665968.db2.gz CCQRCNQPMRIMNH-SNVBAGLBSA-N -1 3 260.272 1.485 20 30 CDEDHM C#C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(C)C ZINC000281941840 391665971 /nfs/dbraw/zinc/66/59/71/391665971.db2.gz CCQRCNQPMRIMNH-SNVBAGLBSA-N -1 3 260.272 1.485 20 30 CDEDHM C=C(C)CS(=O)(=O)[N-][C@H](C(=O)OCC)[C@@H](C)CC ZINC000189675680 130006507 /nfs/dbraw/zinc/00/65/07/130006507.db2.gz YHHPKHMHQWKMCY-QWRGUYRKSA-N -1 3 277.386 1.460 20 30 CDEDHM N#Cc1cc(NCCCNC(=O)c2cccc([O-])c2)ccn1 ZINC000342098464 130258754 /nfs/dbraw/zinc/25/87/54/130258754.db2.gz SEWDOAGBSYOTQD-UHFFFAOYSA-N -1 3 296.330 1.891 20 30 CDEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000491807607 392572924 /nfs/dbraw/zinc/57/29/24/392572924.db2.gz CNJPCSWPNRVMQV-GFCCVEGCSA-N -1 3 280.324 1.778 20 30 CDEDHM CCC(=O)C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000493895291 393224625 /nfs/dbraw/zinc/22/46/25/393224625.db2.gz WCLVLKJRPNVGFZ-UHFFFAOYSA-N -1 3 284.312 1.096 20 30 CDEDHM Cc1ccnc(C[N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000328302527 149267320 /nfs/dbraw/zinc/26/73/20/149267320.db2.gz UUJUARDPLLILQZ-UHFFFAOYSA-N -1 3 288.332 1.135 20 30 CDEDHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000277296455 287078742 /nfs/dbraw/zinc/07/87/42/287078742.db2.gz ZZEBRAXYUHBBKQ-MNOVXSKESA-N -1 3 279.365 1.810 20 30 CDEDHM C#C[C@H](C)N(C)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001588324947 1173024277 /nfs/dbraw/zinc/02/42/77/1173024277.db2.gz BDRGMAJXOZDSBI-ZETCQYMHSA-N -1 3 263.251 1.603 20 30 CDEDHM C#C[C@H](C)N(C)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001588324947 1173024282 /nfs/dbraw/zinc/02/42/82/1173024282.db2.gz BDRGMAJXOZDSBI-ZETCQYMHSA-N -1 3 263.251 1.603 20 30 CDEDHM COc1ccc([O-])c(C(=O)N2CC[C@](F)(C#N)C2)c1 ZINC000615661580 413682751 /nfs/dbraw/zinc/68/27/51/413682751.db2.gz JPNGAFWQGOONPH-ZDUSSCGKSA-N -1 3 264.256 1.479 20 30 CDEDHM C=CCCC(C)(C)NC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659629636 414043044 /nfs/dbraw/zinc/04/30/44/414043044.db2.gz XGCUXCMGBIMSCR-UHFFFAOYSA-N -1 3 293.371 1.185 20 30 CDEDHM C=CCn1c(SCC[C@@H](C)C(C)=O)n[n-]c1=O ZINC000657251517 414079307 /nfs/dbraw/zinc/07/93/07/414079307.db2.gz FJCIFCLNBAOULK-MRVPVSSYSA-N -1 3 255.343 1.877 20 30 CDEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000040363635 174247376 /nfs/dbraw/zinc/24/73/76/174247376.db2.gz RLPQBCWMFMMVDJ-MRVPVSSYSA-N -1 3 299.308 1.184 20 30 CDEDHM CCCCS(=O)(=O)[N-][C@@H](C#N)c1ccccc1 ZINC000040365689 174248125 /nfs/dbraw/zinc/24/81/25/174248125.db2.gz ZNUIHXSOVLZZDB-LBPRGKRZSA-N -1 3 252.339 1.971 20 30 CDEDHM C=CC(C)(C)CNC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588488288 1173069675 /nfs/dbraw/zinc/06/96/75/1173069675.db2.gz HJFPKPUNPQOBDQ-UHFFFAOYSA-N -1 3 286.339 1.512 20 30 CDEDHM C=CC(C)(C)CNC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588488288 1173069681 /nfs/dbraw/zinc/06/96/81/1173069681.db2.gz HJFPKPUNPQOBDQ-UHFFFAOYSA-N -1 3 286.339 1.512 20 30 CDEDHM C[C@H](C#N)CNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588933886 1173114862 /nfs/dbraw/zinc/11/48/62/1173114862.db2.gz AYQDJMXFOMYDBY-SSDOTTSWSA-N -1 3 290.714 1.410 20 30 CDEDHM C[C@H](C#N)CNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588933886 1173114865 /nfs/dbraw/zinc/11/48/65/1173114865.db2.gz AYQDJMXFOMYDBY-SSDOTTSWSA-N -1 3 290.714 1.410 20 30 CDEDHM CCn1cc(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)nc1C ZINC000331415224 228098583 /nfs/dbraw/zinc/09/85/83/228098583.db2.gz AESUJEKTCFNBRZ-LBPRGKRZSA-N -1 3 282.369 1.182 20 30 CDEDHM Cc1cccc(S(=O)(=O)[N-][C@H](C#N)C(C)C)c1F ZINC000313232703 260266606 /nfs/dbraw/zinc/26/66/06/260266606.db2.gz ZELINFIUFWVKNZ-SNVBAGLBSA-N -1 3 270.329 1.961 20 30 CDEDHM [O-]c1c(O)ccc(/C=N/[C@H]2CC[C@H](O)CC2)c1O ZINC000269998941 262979907 /nfs/dbraw/zinc/97/99/07/262979907.db2.gz VXOHIXVNBDTVLN-LKEXZZHASA-N -1 3 251.282 1.526 20 30 CDEDHM COC(=O)c1sccc1S(=O)(=O)[N-]CCCC#N ZINC000273591405 263018085 /nfs/dbraw/zinc/01/80/85/263018085.db2.gz QIKCKNFACOYTJB-UHFFFAOYSA-N -1 3 288.350 1.117 20 30 CDEDHM COCCOCCOCCC/N=C/c1ccccc1[O-] ZINC000274342938 263023435 /nfs/dbraw/zinc/02/34/35/263023435.db2.gz BMGVAOHITLWCMV-DTQAZKPQSA-N -1 3 281.352 1.881 20 30 CDEDHM C[C@H]1COCC[C@H]1C/N=C/c1ccc(O)c([O-])c1O ZINC000285240917 263091602 /nfs/dbraw/zinc/09/16/02/263091602.db2.gz GKTRIAVZHICWTK-LOQOIXNESA-N -1 3 265.309 1.895 20 30 CDEDHM C[C@H]1CS(=O)(=O)C[C@H]1/N=C/c1ccccc1[O-] ZINC000290022340 263113980 /nfs/dbraw/zinc/11/39/80/263113980.db2.gz XDLCZGXTAIJFTK-VLAINUTGSA-N -1 3 253.323 1.244 20 30 CDEDHM C=CCN(CCC#N)[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000292330667 263131127 /nfs/dbraw/zinc/13/11/27/263131127.db2.gz WISFROYFSCSPCP-LLVKDONJSA-N -1 3 262.313 1.712 20 30 CDEDHM Cc1cc([N-]C(=O)[C@@H](C)N(C)C[C@H](C)C#N)on1 ZINC000299163744 263232398 /nfs/dbraw/zinc/23/23/98/263232398.db2.gz MPNBUCJQNUYENM-PSASIEDQSA-N -1 3 250.302 1.402 20 30 CDEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cccc2nonc21 ZINC000120692041 263286481 /nfs/dbraw/zinc/28/64/81/263286481.db2.gz BRQVFCGSGGUANB-QMMMGPOBSA-N -1 3 267.310 1.466 20 30 CDEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000528468290 269954386 /nfs/dbraw/zinc/95/43/86/269954386.db2.gz CLHKFNHUDAPXMZ-UHFFFAOYSA-N -1 3 280.324 1.942 20 30 CDEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCNC2=O)cc1[O-] ZINC000331223755 264167038 /nfs/dbraw/zinc/16/70/38/264167038.db2.gz AQHUTAXQKYRONB-LLVKDONJSA-N -1 3 276.292 1.178 20 30 CDEDHM CCOc1nc2cc(C(=O)N(C)CCC#N)ccc2[n-]1 ZINC000346221898 265105973 /nfs/dbraw/zinc/10/59/73/265105973.db2.gz KMYGXQWUNGRJJC-UHFFFAOYSA-N -1 3 272.308 1.947 20 30 CDEDHM CCOc1nc2ccc(C(=O)N(C)CCC#N)cc2[n-]1 ZINC000346221898 265105978 /nfs/dbraw/zinc/10/59/78/265105978.db2.gz KMYGXQWUNGRJJC-UHFFFAOYSA-N -1 3 272.308 1.947 20 30 CDEDHM C=C[C@H](CO)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000356848117 266189181 /nfs/dbraw/zinc/18/91/81/266189181.db2.gz LPTFVGFNFOIYRQ-SNVBAGLBSA-N -1 3 290.294 1.252 20 30 CDEDHM CC[C@@H](C#N)C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001590367137 1173377561 /nfs/dbraw/zinc/37/75/61/1173377561.db2.gz DEFUXIZQTWTIRU-NSHDSACASA-N -1 3 284.323 1.341 20 30 CDEDHM CC[C@@H](C#N)C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001590367137 1173377566 /nfs/dbraw/zinc/37/75/66/1173377566.db2.gz DEFUXIZQTWTIRU-NSHDSACASA-N -1 3 284.323 1.341 20 30 CDEDHM CCC(CC)Cn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001590434532 1173408862 /nfs/dbraw/zinc/40/88/62/1173408862.db2.gz UZUZEVFCTNICCW-UHFFFAOYSA-N -1 3 259.317 1.680 20 30 CDEDHM CCC(CC)Cn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001590434532 1173408867 /nfs/dbraw/zinc/40/88/67/1173408867.db2.gz UZUZEVFCTNICCW-UHFFFAOYSA-N -1 3 259.317 1.680 20 30 CDEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CCCO1 ZINC000156111153 289258076 /nfs/dbraw/zinc/25/80/76/289258076.db2.gz MRNHVBJVMPVZAL-ZDUSSCGKSA-N -1 3 298.339 1.545 20 30 CDEDHM Cc1cc(C=NN[C@@H]2CCSC2)ccc1-c1nnn[n-]1 ZINC001591958503 1173756701 /nfs/dbraw/zinc/75/67/01/1173756701.db2.gz HQBKRDJZUGKDCO-LLVKDONJSA-N -1 3 288.380 1.604 20 30 CDEDHM Cc1cc(C=NN[C@@H]2CCSC2)ccc1-c1nn[n-]n1 ZINC001591958503 1173756710 /nfs/dbraw/zinc/75/67/10/1173756710.db2.gz HQBKRDJZUGKDCO-LLVKDONJSA-N -1 3 288.380 1.604 20 30 CDEDHM N#Cc1ccc(CS(=O)(=O)c2nc3c([n-]2)CCC3)cc1 ZINC000577575066 317356547 /nfs/dbraw/zinc/35/65/47/317356547.db2.gz JLABYUIMLACPDV-UHFFFAOYSA-N -1 3 287.344 1.744 20 30 CDEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000452028038 328213442 /nfs/dbraw/zinc/21/34/42/328213442.db2.gz GMNJXHQNDDGNBU-NSHDSACASA-N -1 3 287.356 1.740 20 30 CDEDHM C[C@H](C#N)Oc1ccccc1NC([O-])=NOCC(C)(C)O ZINC000284698549 328246476 /nfs/dbraw/zinc/24/64/76/328246476.db2.gz BLYBBNNKKASCRP-SNVBAGLBSA-N -1 3 293.323 1.801 20 30 CDEDHM C[C@H](C#N)Oc1ccccc1NC(=O)[N-]OCC(C)(C)O ZINC000284698549 328246478 /nfs/dbraw/zinc/24/64/78/328246478.db2.gz BLYBBNNKKASCRP-SNVBAGLBSA-N -1 3 293.323 1.801 20 30 CDEDHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1ccccc1F ZINC000396664228 329317232 /nfs/dbraw/zinc/31/72/32/329317232.db2.gz PYZJTLZUJDBWTL-LLVKDONJSA-N -1 3 270.329 1.937 20 30 CDEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccccc1F ZINC000341199726 328404503 /nfs/dbraw/zinc/40/45/03/328404503.db2.gz XDFNLKPQZROOEJ-SNVBAGLBSA-N -1 3 273.329 1.289 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOCC2)s1 ZINC000381297532 323624655 /nfs/dbraw/zinc/62/46/55/323624655.db2.gz ZJVAAJXTZHOIEZ-VIFPVBQESA-N -1 3 286.378 1.467 20 30 CDEDHM Cc1cccc(C(=O)N(C)CCNC(=O)N(C)C)c1[O-] ZINC000331239003 328478721 /nfs/dbraw/zinc/47/87/21/328478721.db2.gz OFCSDGSJIBYACG-UHFFFAOYSA-N -1 3 279.340 1.248 20 30 CDEDHM CO[C@H](C)CC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000583901105 325262995 /nfs/dbraw/zinc/26/29/95/325262995.db2.gz MYOLEBUFXKWTGK-SECBINFHSA-N -1 3 286.328 1.401 20 30 CDEDHM CN1CCc2ccc(C([O-])=C(C#N)c3ccncn3)cc21 ZINC000560000795 327276463 /nfs/dbraw/zinc/27/64/63/327276463.db2.gz DUOMKGGGXUUMHN-ZDUSSCGKSA-N -1 3 278.315 1.959 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000562513758 327486620 /nfs/dbraw/zinc/48/66/20/327486620.db2.gz XKCMIQCDBLNFCV-ZDUSSCGKSA-N -1 3 250.273 1.882 20 30 CDEDHM CC(C)n1cnc(S(=O)(=O)[N-]CC2(CC#N)CC2)c1 ZINC000331905630 328739656 /nfs/dbraw/zinc/73/96/56/328739656.db2.gz OBKINMSHGJPJIQ-UHFFFAOYSA-N -1 3 282.369 1.436 20 30 CDEDHM CC[C@@](C)([N-]S(=O)(=O)CC(C)(C)CC#N)C(=O)OC 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CDEDHM C=CCOCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735437473 575468099 /nfs/dbraw/zinc/46/80/99/575468099.db2.gz JWPHRVBNPRKFHA-UHFFFAOYSA-N -1 3 293.714 1.661 20 30 CDEDHM C=C(C)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000770920098 575517632 /nfs/dbraw/zinc/51/76/32/575517632.db2.gz ZJXUNMVBQSIVMP-SECBINFHSA-N -1 3 284.337 1.111 20 30 CDEDHM CCc1ccc2c(c1)C(=N[N-]c1cccnn1)C(=O)N2 ZINC000735975250 575544442 /nfs/dbraw/zinc/54/44/42/575544442.db2.gz YLXFZSLOHKBNPQ-UHFFFAOYSA-N -1 3 267.292 1.807 20 30 CDEDHM CC(C#N)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000736203877 575588883 /nfs/dbraw/zinc/58/88/83/575588883.db2.gz WFWGCTGGOCJTHJ-HTQZYQBOSA-N -1 3 252.295 1.540 20 30 CDEDHM CC1(C)OCc2cc(C=NN3CC(=O)[N-]C3=O)ccc2O1 ZINC000766016788 576072584 /nfs/dbraw/zinc/07/25/84/576072584.db2.gz XIDVTIDSGALASM-UHFFFAOYSA-N -1 3 289.291 1.217 20 30 CDEDHM Cc1ncc(CO)c(/C=N\C2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000767878729 576235283 /nfs/dbraw/zinc/23/52/83/576235283.db2.gz PSVXYIAIKOMRCI-SVXMAOMDSA-N -1 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1164614778 /nfs/dbraw/zinc/61/47/78/1164614778.db2.gz GLPLCRRIDQRFLD-UHFFFAOYSA-N -1 3 251.330 1.904 20 30 CDEDHM C(=NNC[C@H]1CCSC1)c1ccc(-c2nnn[n-]2)s1 ZINC001609022181 1164728111 /nfs/dbraw/zinc/72/81/11/1164728111.db2.gz ASKNRYCCZQJOJH-MRVPVSSYSA-N -1 3 294.409 1.605 20 30 CDEDHM C[C@H]1C[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001609156550 1164803585 /nfs/dbraw/zinc/80/35/85/1164803585.db2.gz AXVBYCDRTUEYGS-ONGXEEELSA-N -1 3 284.323 1.718 20 30 CDEDHM C[C@H]1C[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001609156550 1164803589 /nfs/dbraw/zinc/80/35/89/1164803589.db2.gz AXVBYCDRTUEYGS-ONGXEEELSA-N -1 3 284.323 1.718 20 30 CDEDHM CC[C@H](CC#N)NCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609187755 1164830536 /nfs/dbraw/zinc/83/05/36/1164830536.db2.gz OPBSMSWJEDMEAN-GFCCVEGCSA-N -1 3 270.340 1.957 20 30 CDEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)on1 ZINC001609339993 1164907414 /nfs/dbraw/zinc/90/74/14/1164907414.db2.gz ZGNUUNPUTUJKDR-DAXSKMNVSA-N -1 3 297.274 1.759 20 30 CDEDHM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)on1 ZINC001609339993 1164907419 /nfs/dbraw/zinc/90/74/19/1164907419.db2.gz ZGNUUNPUTUJKDR-DAXSKMNVSA-N -1 3 297.274 1.759 20 30 CDEDHM COc1cc(Oc2cccc(C#N)n2)ccc1-c1nnn[n-]1 ZINC001609348292 1164908574 /nfs/dbraw/zinc/90/85/74/1164908574.db2.gz MNXAKRXWVXFJLL-UHFFFAOYSA-N -1 3 294.274 1.934 20 30 CDEDHM COc1cc(Oc2cccc(C#N)n2)ccc1-c1nn[n-]n1 ZINC001609348292 1164908576 /nfs/dbraw/zinc/90/85/76/1164908576.db2.gz MNXAKRXWVXFJLL-UHFFFAOYSA-N -1 3 294.274 1.934 20 30 CDEDHM Cc1[nH]nc(NC(=O)c2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC001609444769 1164951623 /nfs/dbraw/zinc/95/16/23/1164951623.db2.gz ROZVZOVFYYEHQJ-UHFFFAOYSA-N -1 3 294.278 1.022 20 30 CDEDHM N#C[C@]1(F)CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001609494471 1164976021 /nfs/dbraw/zinc/97/60/21/1164976021.db2.gz FPPCKHYQVQBXNJ-GFCCVEGCSA-N -1 3 276.250 1.448 20 30 CDEDHM N#Cc1ccc(CN2CCC3(CC(C(=O)[O-])=NO3)CC2)cc1 ZINC001610628024 1165386162 /nfs/dbraw/zinc/38/61/62/1165386162.db2.gz MLRLUYVOIJPYJZ-UHFFFAOYSA-N -1 3 299.330 1.754 20 30 CDEDHM N#CCC[N-]S(=O)(=O)c1cccc(Br)n1 ZINC000872479334 1165437402 /nfs/dbraw/zinc/43/74/02/1165437402.db2.gz LJBKUJFWTCVSFM-UHFFFAOYSA-N -1 3 290.142 1.036 20 30 CDEDHM O=C(C=Cc1csnn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000095158952 1166600273 /nfs/dbraw/zinc/60/02/73/1166600273.db2.gz ONRLDOSMWALPJT-AATRIKPKSA-N -1 3 284.304 1.614 20 30 CDEDHM O=C(C=Cc1csnn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000095158952 1166600278 /nfs/dbraw/zinc/60/02/78/1166600278.db2.gz ONRLDOSMWALPJT-AATRIKPKSA-N -1 3 284.304 1.614 20 30 CDEDHM N#C[C@H](c1ccccc1)N1CCN(C[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001574242877 1170928419 /nfs/dbraw/zinc/92/84/19/1170928419.db2.gz ZTDSSMHOKZGTAP-ARFHVFGLSA-N -1 3 299.374 1.590 20 30 CDEDHM Cc1conc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001581380337 1172607290 /nfs/dbraw/zinc/60/72/90/1172607290.db2.gz MRPNJLYCPDIYGX-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM Cc1conc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001581380337 1172607297 /nfs/dbraw/zinc/60/72/97/1172607297.db2.gz MRPNJLYCPDIYGX-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM N#C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001581860324 1172623978 /nfs/dbraw/zinc/62/39/78/1172623978.db2.gz VKOFFBNENHWPBC-ZYHUDNBSSA-N -1 3 294.318 1.842 20 30 CDEDHM N#C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001581860324 1172623985 /nfs/dbraw/zinc/62/39/85/1172623985.db2.gz VKOFFBNENHWPBC-ZYHUDNBSSA-N -1 3 294.318 1.842 20 30 CDEDHM C#CC(C)(C)NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588325767 1173023871 /nfs/dbraw/zinc/02/38/71/1173023871.db2.gz VGSPKPAASGIZJB-UHFFFAOYSA-N -1 3 294.318 1.490 20 30 CDEDHM C#C[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588326030 1173024596 /nfs/dbraw/zinc/02/45/96/1173024596.db2.gz CCSRJRLYZIKCJU-JIMOISOXSA-N -1 3 282.303 1.535 20 30 CDEDHM C#C[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588326030 1173024601 /nfs/dbraw/zinc/02/46/01/1173024601.db2.gz CCSRJRLYZIKCJU-JIMOISOXSA-N -1 3 282.303 1.535 20 30 CDEDHM C#C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001588330092 1173029975 /nfs/dbraw/zinc/02/99/75/1173029975.db2.gz UTBHQPGMOBWCGP-ZDUSSCGKSA-N -1 3 283.335 1.183 20 30 CDEDHM C#C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001588330092 1173029982 /nfs/dbraw/zinc/02/99/82/1173029982.db2.gz UTBHQPGMOBWCGP-ZDUSSCGKSA-N -1 3 283.335 1.183 20 30 CDEDHM C#CC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588335815 1173039900 /nfs/dbraw/zinc/03/99/00/1173039900.db2.gz ZAGWULWNBHYVPG-SNVBAGLBSA-N -1 3 284.323 1.070 20 30 CDEDHM C#CC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588335815 1173039906 /nfs/dbraw/zinc/03/99/06/1173039906.db2.gz ZAGWULWNBHYVPG-SNVBAGLBSA-N -1 3 284.323 1.070 20 30 CDEDHM C#CCCCC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588337823 1173044517 /nfs/dbraw/zinc/04/45/17/1173044517.db2.gz COOZYUDHYWQZCD-AWEZNQCLSA-N -1 3 295.346 1.774 20 30 CDEDHM C#CCCCC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588337823 1173044522 /nfs/dbraw/zinc/04/45/22/1173044522.db2.gz COOZYUDHYWQZCD-AWEZNQCLSA-N -1 3 295.346 1.774 20 30 CDEDHM C#CCN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001588348283 1173048527 /nfs/dbraw/zinc/04/85/27/1173048527.db2.gz OTPRLNMRWJRFCH-UHFFFAOYSA-N -1 3 297.362 1.670 20 30 CDEDHM C#CCN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001588348283 1173048535 /nfs/dbraw/zinc/04/85/35/1173048535.db2.gz OTPRLNMRWJRFCH-UHFFFAOYSA-N -1 3 297.362 1.670 20 30 CDEDHM C=CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588625249 1173091761 /nfs/dbraw/zinc/09/17/61/1173091761.db2.gz DWYJLWKOIDXCLC-UHFFFAOYSA-N -1 3 286.339 1.688 20 30 CDEDHM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588625249 1173091767 /nfs/dbraw/zinc/09/17/67/1173091767.db2.gz DWYJLWKOIDXCLC-UHFFFAOYSA-N -1 3 286.339 1.688 20 30 CDEDHM C=CCOC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588665350 1173096984 /nfs/dbraw/zinc/09/69/84/1173096984.db2.gz JOQVNPBEUCCFCA-VIFPVBQESA-N -1 3 274.280 1.363 20 30 CDEDHM C=CCOC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588665350 1173096990 /nfs/dbraw/zinc/09/69/90/1173096990.db2.gz JOQVNPBEUCCFCA-VIFPVBQESA-N -1 3 274.280 1.363 20 30 CDEDHM C[C@@H](C#N)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588934792 1173116566 /nfs/dbraw/zinc/11/65/66/1173116566.db2.gz VQVFAFBJDWZGJH-JARNTUPDSA-N -1 3 282.307 1.250 20 30 CDEDHM C[C@@H](C#N)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588934792 1173116572 /nfs/dbraw/zinc/11/65/72/1173116572.db2.gz VQVFAFBJDWZGJH-JARNTUPDSA-N -1 3 282.307 1.250 20 30 CDEDHM CC(C)(C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001589084758 1173123042 /nfs/dbraw/zinc/12/30/42/1173123042.db2.gz ZZAFIDOZMQLLLF-UHFFFAOYSA-N -1 3 270.296 1.723 20 30 CDEDHM CC(C)(C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001589084758 1173123044 /nfs/dbraw/zinc/12/30/44/1173123044.db2.gz ZZAFIDOZMQLLLF-UHFFFAOYSA-N -1 3 270.296 1.723 20 30 CDEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC(C#N)C1 ZINC001589889203 1173198260 /nfs/dbraw/zinc/19/82/60/1173198260.db2.gz HNWHFNWTUIGYLO-JTQLQIEISA-N -1 3 296.334 1.027 20 30 CDEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC(C#N)C1 ZINC001589889203 1173198264 /nfs/dbraw/zinc/19/82/64/1173198264.db2.gz HNWHFNWTUIGYLO-JTQLQIEISA-N -1 3 296.334 1.027 20 30 CDEDHM C[C@]1(C#N)CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001590054490 1173240071 /nfs/dbraw/zinc/24/00/71/1173240071.db2.gz KUZSQDMPOJDJDJ-GFCCVEGCSA-N -1 3 274.353 1.664 20 30 CDEDHM C[C@]1(C#N)CCN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001590054490 1173240073 /nfs/dbraw/zinc/24/00/73/1173240073.db2.gz KUZSQDMPOJDJDJ-GFCCVEGCSA-N -1 3 274.353 1.664 20 30 CDEDHM CC1(C)C[C@@]1(C#N)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590085258 1173250555 /nfs/dbraw/zinc/25/05/55/1173250555.db2.gz OXLXANKBFMNUPJ-HNNXBMFYSA-N -1 3 296.334 1.218 20 30 CDEDHM CC1(C)C[C@@]1(C#N)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590085258 1173250558 /nfs/dbraw/zinc/25/05/58/1173250558.db2.gz OXLXANKBFMNUPJ-HNNXBMFYSA-N -1 3 296.334 1.218 20 30 CDEDHM C[C@H]1C[C@@H](CO)CN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590193442 1173286188 /nfs/dbraw/zinc/28/61/88/1173286188.db2.gz PYLQADRSZIGWAA-WDEREUQCSA-N -1 3 298.350 1.193 20 30 CDEDHM C[C@H]1C[C@@H](CO)CN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590193442 1173286191 /nfs/dbraw/zinc/28/61/91/1173286191.db2.gz PYLQADRSZIGWAA-WDEREUQCSA-N -1 3 298.350 1.193 20 30 CDEDHM CCCCCCCn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001590593920 1173468117 /nfs/dbraw/zinc/46/81/17/1173468117.db2.gz AGHHZULBUWGWLZ-UHFFFAOYSA-N -1 3 274.332 1.487 20 30 CDEDHM CCCCCCCn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001590593920 1173468123 /nfs/dbraw/zinc/46/81/23/1173468123.db2.gz AGHHZULBUWGWLZ-UHFFFAOYSA-N -1 3 274.332 1.487 20 30 CDEDHM CCN(CC)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590682177 1173488826 /nfs/dbraw/zinc/48/88/26/1173488826.db2.gz AANSCPVSZLMRGU-CYBMUJFWSA-N -1 3 298.350 1.417 20 30 CDEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1C[C@@H]1C#N ZINC001590878178 1173533807 /nfs/dbraw/zinc/53/38/07/1173533807.db2.gz YURQNZQPEBUNMY-GHMZBOCLSA-N -1 3 283.291 1.494 20 30 CDEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1C[C@@H]1C#N ZINC001590878178 1173533813 /nfs/dbraw/zinc/53/38/13/1173533813.db2.gz YURQNZQPEBUNMY-GHMZBOCLSA-N -1 3 283.291 1.494 20 30 CDEDHM CN(Cc1cc(C#N)cs1)c1nnccc1-c1nnn[n-]1 ZINC001591130785 1173574304 /nfs/dbraw/zinc/57/43/04/1173574304.db2.gz QDBHWVJGWLALMY-UHFFFAOYSA-N -1 3 298.335 1.226 20 30 CDEDHM CN(Cc1cc(C#N)cs1)c1nnccc1-c1nn[n-]n1 ZINC001591130785 1173574311 /nfs/dbraw/zinc/57/43/11/1173574311.db2.gz QDBHWVJGWLALMY-UHFFFAOYSA-N -1 3 298.335 1.226 20 30 CDEDHM CN(Cc1cnccn1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591152201 1173582758 /nfs/dbraw/zinc/58/27/58/1173582758.db2.gz PQJWLDXBIGPTOE-UHFFFAOYSA-N -1 3 292.306 1.165 20 30 CDEDHM CN(Cc1cnccn1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591152201 1173582763 /nfs/dbraw/zinc/58/27/63/1173582763.db2.gz PQJWLDXBIGPTOE-UHFFFAOYSA-N -1 3 292.306 1.165 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CN(C)CC#N ZINC001591846204 1173715267 /nfs/dbraw/zinc/71/52/67/1173715267.db2.gz KKOVQWIHPAUUPL-UHFFFAOYSA-N -1 3 256.313 1.439 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN(C)CC#N ZINC001591846204 1173715271 /nfs/dbraw/zinc/71/52/71/1173715271.db2.gz KKOVQWIHPAUUPL-UHFFFAOYSA-N -1 3 256.313 1.439 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)CC(C)(C)C#N)n1 ZINC001591857587 1173719948 /nfs/dbraw/zinc/71/99/48/1173719948.db2.gz OIJYQADZBDDEDQ-UHFFFAOYSA-N -1 3 285.311 1.449 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)CC(C)(C)C#N)n1 ZINC001591857587 1173719952 /nfs/dbraw/zinc/71/99/52/1173719952.db2.gz OIJYQADZBDDEDQ-UHFFFAOYSA-N -1 3 285.311 1.449 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1c[nH]nc1C#N ZINC001591862822 1173724328 /nfs/dbraw/zinc/72/43/28/1173724328.db2.gz GHQYNNKQKJRPCO-UHFFFAOYSA-N -1 3 294.278 1.022 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1c[nH]nc1C#N ZINC001591862822 1173724332 /nfs/dbraw/zinc/72/43/32/1173724332.db2.gz GHQYNNKQKJRPCO-UHFFFAOYSA-N -1 3 294.278 1.022 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)OC[C@@H](C)C#N ZINC001592100606 1173799124 /nfs/dbraw/zinc/79/91/24/1173799124.db2.gz YVXMDHVGYDGLQR-QMMMGPOBSA-N -1 3 271.280 1.492 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)OC[C@@H](C)C#N ZINC001592100606 1173799125 /nfs/dbraw/zinc/79/91/25/1173799125.db2.gz YVXMDHVGYDGLQR-QMMMGPOBSA-N -1 3 271.280 1.492 20 30 CDEDHM Cc1ccnc(N(C)[C@H]2CCC[C@@H]2C#N)c1-c1nnn[n-]1 ZINC001592273713 1173840685 /nfs/dbraw/zinc/84/06/85/1173840685.db2.gz GOUHJGXINKPYLW-MNOVXSKESA-N -1 3 283.339 1.699 20 30 CDEDHM Cc1ccnc(N(C)[C@H]2CCC[C@@H]2C#N)c1-c1nn[n-]n1 ZINC001592273713 1173840688 /nfs/dbraw/zinc/84/06/88/1173840688.db2.gz GOUHJGXINKPYLW-MNOVXSKESA-N -1 3 283.339 1.699 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592603071 1173927699 /nfs/dbraw/zinc/92/76/99/1173927699.db2.gz FPCFAIVATGGVKE-QPJJXVBHSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592603071 1173927703 /nfs/dbraw/zinc/92/77/03/1173927703.db2.gz FPCFAIVATGGVKE-QPJJXVBHSA-N -1 3 280.291 1.496 20 30 CDEDHM N#C[C@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001592668508 1173959908 /nfs/dbraw/zinc/95/99/08/1173959908.db2.gz DIZXHPNDMFYSTR-NSHDSACASA-N -1 3 286.270 1.038 20 30 CDEDHM N#C[C@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001592668508 1173959914 /nfs/dbraw/zinc/95/99/14/1173959914.db2.gz DIZXHPNDMFYSTR-NSHDSACASA-N -1 3 286.270 1.038 20 30 CDEDHM N#Cc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)o1 ZINC001592691456 1173971134 /nfs/dbraw/zinc/97/11/34/1173971134.db2.gz WIAFUFIMIHADIJ-UHFFFAOYSA-N -1 3 281.231 1.551 20 30 CDEDHM N#Cc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001592691456 1173971136 /nfs/dbraw/zinc/97/11/36/1173971136.db2.gz WIAFUFIMIHADIJ-UHFFFAOYSA-N -1 3 281.231 1.551 20 30 CDEDHM N#Cc1cc(N2Cc3cccc(-c4nnn[n-]4)c3C2)ccn1 ZINC001592689509 1173972963 /nfs/dbraw/zinc/97/29/63/1173972963.db2.gz ICZCCTOGMDKHIO-UHFFFAOYSA-N -1 3 289.302 1.654 20 30 CDEDHM N#Cc1cc(N2Cc3cccc(-c4nn[n-]n4)c3C2)ccn1 ZINC001592689509 1173972971 /nfs/dbraw/zinc/97/29/71/1173972971.db2.gz ICZCCTOGMDKHIO-UHFFFAOYSA-N -1 3 289.302 1.654 20 30 CDEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC001592697212 1173974436 /nfs/dbraw/zinc/97/44/36/1173974436.db2.gz QXKNTWUGNCQTTI-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC001592697212 1173974444 /nfs/dbraw/zinc/97/44/44/1173974444.db2.gz QXKNTWUGNCQTTI-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1ccc(SCc2cncc(-c3nnn[n-]3)c2)nc1 ZINC001592697841 1173974688 /nfs/dbraw/zinc/97/46/88/1173974688.db2.gz VCOYGMXUUFVKBO-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM N#Cc1ccc(SCc2cncc(-c3nn[n-]n3)c2)nc1 ZINC001592697841 1173974693 /nfs/dbraw/zinc/97/46/93/1173974693.db2.gz VCOYGMXUUFVKBO-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCC1(O)CCC1 ZINC001592699461 1173975884 /nfs/dbraw/zinc/97/58/84/1173975884.db2.gz AHXNCZFXVKORIX-UHFFFAOYSA-N -1 3 298.350 1.845 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCC1(O)CCC1 ZINC001592699461 1173975891 /nfs/dbraw/zinc/97/58/91/1173975891.db2.gz AHXNCZFXVKORIX-UHFFFAOYSA-N -1 3 298.350 1.845 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCCO1 ZINC001592699536 1173976161 /nfs/dbraw/zinc/97/61/61/1173976161.db2.gz DGPCPGSDIJFUST-SNVBAGLBSA-N -1 3 270.296 1.329 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCCO1 ZINC001592699536 1173976163 /nfs/dbraw/zinc/97/61/63/1173976163.db2.gz DGPCPGSDIJFUST-SNVBAGLBSA-N -1 3 270.296 1.329 20 30 CDEDHM N#Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001592696174 1173976238 /nfs/dbraw/zinc/97/62/38/1173976238.db2.gz NBYSRPIJJUHEAE-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM N#Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001592696174 1173976242 /nfs/dbraw/zinc/97/62/42/1173976242.db2.gz NBYSRPIJJUHEAE-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM Cc1cc(C(C#N)C(=O)c2cncc(C(=O)[O-])c2)nc(C)n1 ZINC001600138981 1174377596 /nfs/dbraw/zinc/37/75/96/1174377596.db2.gz QGPJYRRGZHCGMS-LBPRGKRZSA-N -1 3 296.286 1.677 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC000095172111 1174501277 /nfs/dbraw/zinc/50/12/77/1174501277.db2.gz ZZTUKAOTYHBJNB-UHFFFAOYSA-N -1 3 286.339 1.608 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC000095172111 1174501279 /nfs/dbraw/zinc/50/12/79/1174501279.db2.gz ZZTUKAOTYHBJNB-UHFFFAOYSA-N -1 3 286.339 1.608 20 30 CDEDHM C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001602788478 1175402342 /nfs/dbraw/zinc/40/23/42/1175402342.db2.gz KADWWFLCKQMIMW-SFGNSQDASA-N -1 3 274.748 1.026 20 30 CDEDHM C=C[C@@H](NCc1cc2ccccc2n(C)c1=O)C(=O)[O-] ZINC001602819151 1175416461 /nfs/dbraw/zinc/41/64/61/1175416461.db2.gz OXFABPJWIUPYTN-GFCCVEGCSA-N -1 3 272.304 1.267 20 30 CDEDHM C[C@H](CC#N)NCCOc1ccccc1-c1nnn[n-]1 ZINC001603443735 1175553264 /nfs/dbraw/zinc/55/32/64/1175553264.db2.gz XLEGSBVSVDFOLI-SNVBAGLBSA-N -1 3 272.312 1.137 20 30 CDEDHM C[C@H](CC#N)NCCOc1ccccc1-c1nn[n-]n1 ZINC001603443735 1175553270 /nfs/dbraw/zinc/55/32/70/1175553270.db2.gz XLEGSBVSVDFOLI-SNVBAGLBSA-N -1 3 272.312 1.137 20 30 CDEDHM C[C@@H](Nc1c(C#N)cccc1-c1nnn[n-]1)c1ncn(C)n1 ZINC001603679131 1175595040 /nfs/dbraw/zinc/59/50/40/1175595040.db2.gz PGIAEPQKOUGQRB-MRVPVSSYSA-N -1 3 295.310 1.040 20 30 CDEDHM C[C@@H](Nc1c(C#N)cccc1-c1nn[n-]n1)c1ncn(C)n1 ZINC001603679131 1175595047 /nfs/dbraw/zinc/59/50/47/1175595047.db2.gz PGIAEPQKOUGQRB-MRVPVSSYSA-N -1 3 295.310 1.040 20 30 CDEDHM CC1(C#N)CN(c2nc3ncccc3cc2-c2nnn[n-]2)C1 ZINC001603737001 1175612018 /nfs/dbraw/zinc/61/20/18/1175612018.db2.gz BBKBAHBRTYKCOW-UHFFFAOYSA-N -1 3 292.306 1.160 20 30 CDEDHM CC1(C#N)CN(c2nc3ncccc3cc2-c2nn[n-]n2)C1 ZINC001603737001 1175612021 /nfs/dbraw/zinc/61/20/21/1175612021.db2.gz BBKBAHBRTYKCOW-UHFFFAOYSA-N -1 3 292.306 1.160 20 30 CDEDHM CC[C@H](C#N)N(C)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001603977587 1175704503 /nfs/dbraw/zinc/70/45/03/1175704503.db2.gz CPFCFBWIXMISBL-SECBINFHSA-N -1 3 288.286 1.380 20 30 CDEDHM CC[C@H](C#N)N(C)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001603977587 1175704507 /nfs/dbraw/zinc/70/45/07/1175704507.db2.gz CPFCFBWIXMISBL-SECBINFHSA-N -1 3 288.286 1.380 20 30 CDEDHM CC[C@@H](C#N)N(C)C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001603977773 1175704803 /nfs/dbraw/zinc/70/48/03/1175704803.db2.gz ICAQZPWKBMJSTN-NSHDSACASA-N -1 3 284.323 1.549 20 30 CDEDHM CC[C@@H](C#N)N(C)C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001603977773 1175704811 /nfs/dbraw/zinc/70/48/11/1175704811.db2.gz ICAQZPWKBMJSTN-NSHDSACASA-N -1 3 284.323 1.549 20 30 CDEDHM CC[C@H](C#N)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001603978349 1175705220 /nfs/dbraw/zinc/70/52/20/1175705220.db2.gz YOYHVORSVCBZBD-LLVKDONJSA-N -1 3 284.323 1.549 20 30 CDEDHM CC[C@H](C#N)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001603978349 1175705226 /nfs/dbraw/zinc/70/52/26/1175705226.db2.gz YOYHVORSVCBZBD-LLVKDONJSA-N -1 3 284.323 1.549 20 30 CDEDHM CC[C@@H](C#N)OC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001603977845 1175705457 /nfs/dbraw/zinc/70/54/57/1175705457.db2.gz KNDAPUCAEXUEFQ-VIFPVBQESA-N -1 3 287.279 1.334 20 30 CDEDHM CC[C@@H](C#N)OC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001603977845 1175705460 /nfs/dbraw/zinc/70/54/60/1175705460.db2.gz KNDAPUCAEXUEFQ-VIFPVBQESA-N -1 3 287.279 1.334 20 30 CDEDHM C#CCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001609020043 1164729280 /nfs/dbraw/zinc/72/92/80/1164729280.db2.gz PPMXEOPJLLWQDN-UHFFFAOYSA-N -1 3 274.255 1.715 20 30 CDEDHM C=C(C)C[C@@H](CO)NC(=O)c1ccc(OC)cc1[O-] ZINC000882887769 783678127 /nfs/dbraw/zinc/67/81/27/783678127.db2.gz FEHVUTCCQNWVMK-JTQLQIEISA-N -1 3 265.309 1.458 20 30 CDEDHM C=CCN1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001007191696 783829267 /nfs/dbraw/zinc/82/92/67/783829267.db2.gz UTMXSLDERJQKCK-LLVKDONJSA-N -1 3 261.325 1.167 20 30 CDEDHM COC(=O)C/N=C\c1cc(Br)ccc1[O-] ZINC000110909400 784002652 /nfs/dbraw/zinc/00/26/52/784002652.db2.gz OSUIKTNCWRPMQQ-XGICHPGQSA-N -1 3 272.098 1.747 20 30 CDEDHM C=C[C@H](C)O[N-]C(=O)Cc1cccc(NS(C)(=O)=O)c1 ZINC000846544665 784163893 /nfs/dbraw/zinc/16/38/93/784163893.db2.gz IPSXLTHRLHEWFC-JTQLQIEISA-N -1 3 298.364 1.223 20 30 CDEDHM N#Cc1csc(C[N-]C(=O)C(F)(F)C2(O)CCC2)n1 ZINC000887980146 784520294 /nfs/dbraw/zinc/52/02/94/784520294.db2.gz AZTJGOPHYBURJI-UHFFFAOYSA-N -1 3 287.291 1.181 20 30 CDEDHM C[C@@H](CO)N(C)N=Cc1c([O-])cccc1Br ZINC000863122720 784739956 /nfs/dbraw/zinc/73/99/56/784739956.db2.gz LUGIKPNDRSVVBE-QMMMGPOBSA-N -1 3 287.157 1.801 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2ccccc2)CCC1 ZINC000848138960 784798903 /nfs/dbraw/zinc/79/89/03/784798903.db2.gz VTKZJZQIJOYVRM-ZDUSSCGKSA-N -1 3 288.347 1.605 20 30 CDEDHM O=C(Nc1cccc(F)c1)N[C@@H]1CCCN([O-])C1=O ZINC000866108029 784865045 /nfs/dbraw/zinc/86/50/45/784865045.db2.gz MMEAVVODLFCEAM-SNVBAGLBSA-N -1 3 267.260 1.327 20 30 CDEDHM C[C@H]1CC(=N[N-]S(=O)(=O)CCc2ccccc2)[C@H](C)O1 ZINC000834960628 785447565 /nfs/dbraw/zinc/44/75/65/785447565.db2.gz WQENSGNIACNDRJ-RYUDHWBXSA-N -1 3 296.392 1.702 20 30 CDEDHM Cc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1F ZINC000816755262 785471228 /nfs/dbraw/zinc/47/12/28/785471228.db2.gz WSPHBXJRJRAIPY-LLVKDONJSA-N -1 3 266.272 1.244 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1CC12CCCC2 ZINC000848137134 785996070 /nfs/dbraw/zinc/99/60/70/785996070.db2.gz ZEEQGPVSODLUOP-NXEZZACHSA-N -1 3 252.314 1.063 20 30 CDEDHM C#CC1CCN(C(=O)Cc2c(C)nc(C)[n-]c2=O)CC1 ZINC000844049135 786002886 /nfs/dbraw/zinc/00/28/86/786002886.db2.gz YACPDEFMEOVGES-UHFFFAOYSA-N -1 3 273.336 1.213 20 30 CDEDHM C[C@H](CC#N)N(C)C(=O)c1nnc2ccccc2c1[O-] ZINC000118331865 786010087 /nfs/dbraw/zinc/01/00/87/786010087.db2.gz IAJFZSQYAPCEHO-SECBINFHSA-N -1 3 270.292 1.297 20 30 CDEDHM C=C(C)C[C@H]([N-]S(=O)(=O)CC1CC1)C(=O)OCC ZINC000882645146 786024226 /nfs/dbraw/zinc/02/42/26/786024226.db2.gz WEXAHMNVJRIJAO-NSHDSACASA-N -1 3 275.370 1.214 20 30 CDEDHM C[C@H](O)CN(C)N=Cc1c([O-])cccc1Br ZINC000863119599 786135344 /nfs/dbraw/zinc/13/53/44/786135344.db2.gz GGEYJGDRVDBZES-QMMMGPOBSA-N -1 3 287.157 1.801 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cccc2c1OCO2 ZINC000846547771 786256356 /nfs/dbraw/zinc/25/63/56/786256356.db2.gz FQICGWAVUKEYFU-SNVBAGLBSA-N -1 3 263.293 1.970 20 30 CDEDHM O=C(CCC(=O)c1ccccc1)N[C@@H]1CCCN([O-])C1=O ZINC000816754352 786301998 /nfs/dbraw/zinc/30/19/98/786301998.db2.gz BRCJOAODCFCHGP-GFCCVEGCSA-N -1 3 290.319 1.146 20 30 CDEDHM CSc1c(F)cccc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848133199 786346676 /nfs/dbraw/zinc/34/66/76/786346676.db2.gz URGNQVMARLLICO-JTQLQIEISA-N -1 3 298.339 1.658 20 30 CDEDHM C#C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC000848452676 786377729 /nfs/dbraw/zinc/37/77/29/786377729.db2.gz VPNSRQKSXSXJJT-VIFPVBQESA-N -1 3 299.323 1.221 20 30 CDEDHM C#CCn1cc(CNC(=O)c2ccc(C)cc2[O-])cn1 ZINC000788217340 786419311 /nfs/dbraw/zinc/41/93/11/786419311.db2.gz KKJHKESMWPOYBF-UHFFFAOYSA-N -1 3 269.304 1.460 20 30 CDEDHM C#CC[C@@H](NC(=O)c1cc(CC)ccc1[O-])C(=O)OC ZINC000837945498 786732512 /nfs/dbraw/zinc/73/25/12/786732512.db2.gz OZSVLXHBGWMWBN-GFCCVEGCSA-N -1 3 275.304 1.249 20 30 CDEDHM C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN([O-])C2=O)C[C@H]1C ZINC000848131373 787136750 /nfs/dbraw/zinc/13/67/50/787136750.db2.gz DWTWFUJQRXSVAY-WISYIIOYSA-N -1 3 268.357 1.555 20 30 CDEDHM C[C@H](C(=O)[O-])N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000111026148 787286405 /nfs/dbraw/zinc/28/64/05/787286405.db2.gz UXEWZLLQHIYKEE-SNVBAGLBSA-N -1 3 277.299 1.292 20 30 CDEDHM COC[C@@H](C#N)OC(=O)c1n[n-]c2c1cccc2OC ZINC000808673605 787402182 /nfs/dbraw/zinc/40/21/82/787402182.db2.gz GKVYXMHMGUUSBW-MRVPVSSYSA-N -1 3 275.264 1.267 20 30 CDEDHM COC[C@@H](C#N)OC(=O)c1[n-]nc2c1cccc2OC ZINC000808673605 787402195 /nfs/dbraw/zinc/40/21/95/787402195.db2.gz GKVYXMHMGUUSBW-MRVPVSSYSA-N -1 3 275.264 1.267 20 30 CDEDHM CNC(=S)N(C)N=C(C)c1cccc([O-])c1F ZINC000872381300 787803549 /nfs/dbraw/zinc/80/35/49/787803549.db2.gz LDISOKHQWKVMQB-UHFFFAOYSA-N -1 3 255.318 1.691 20 30 CDEDHM CCCNC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000776274051 787810855 /nfs/dbraw/zinc/81/08/55/787810855.db2.gz LKKKTRHGVWALHR-VIFPVBQESA-N -1 3 276.292 1.335 20 30 CDEDHM C/C(=C\C(C)(C)C)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848134065 787860506 /nfs/dbraw/zinc/86/05/06/787860506.db2.gz MXRGABSJIWUTCL-DDXVTDLHSA-N -1 3 254.330 1.475 20 30 CDEDHM N#CCCC[N-]S(=O)(=O)c1cccnc1Cl ZINC000054137675 787884376 /nfs/dbraw/zinc/88/43/76/787884376.db2.gz DQECRSGBSFCOHR-UHFFFAOYSA-N -1 3 259.718 1.317 20 30 CDEDHM CC1CCC(=CC(=O)N[C@@H]2CCCN([O-])C2=O)CC1 ZINC000820482787 788086086 /nfs/dbraw/zinc/08/60/86/788086086.db2.gz ROTIAKLMDBEBOG-TVKKRMFBSA-N -1 3 266.341 1.619 20 30 CDEDHM CC[C@@H](CC(=O)N[C@H]1CCCN([O-])C1=O)C(C)C ZINC000848139391 788321122 /nfs/dbraw/zinc/32/11/22/788321122.db2.gz VGDHDZILVIPXOB-QWRGUYRKSA-N -1 3 256.346 1.555 20 30 CDEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cn(C2CC2)nn1 ZINC000860468179 788328035 /nfs/dbraw/zinc/32/80/35/788328035.db2.gz AWMZTLJKQFYWMB-LBPRGKRZSA-N -1 3 295.302 1.574 20 30 CDEDHM Cn1ccc2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc21 ZINC000868563280 788546953 /nfs/dbraw/zinc/54/69/53/788546953.db2.gz PUYMMJPKCXQCRZ-GFCCVEGCSA-N -1 3 287.319 1.288 20 30 CDEDHM [O-]c1cc(Br)ccc1C=NN1CCOCC1 ZINC000853260554 788620555 /nfs/dbraw/zinc/62/05/55/788620555.db2.gz YRBJMXIBYDOAFI-UHFFFAOYSA-N -1 3 285.141 1.821 20 30 CDEDHM CC(F)(F)c1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1 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CDEDHM O=C(CC1=CCCCC1)N[C@@H]1CCCN([O-])C1=O ZINC000816756793 930361395 /nfs/dbraw/zinc/36/13/95/930361395.db2.gz FKSPSVVLGRDLRR-LLVKDONJSA-N -1 3 252.314 1.373 20 30 CDEDHM N=C(c1ccccc1N)N([O-])C(=O)c1[nH]nc2cccnc21 ZINC001153152824 937424466 /nfs/dbraw/zinc/42/44/66/937424466.db2.gz FLMXTWWWMJWVLN-UHFFFAOYSA-N -1 3 296.290 1.397 20 30 CDEDHM COC(=O)c1nc2ccc(NCCCS)nc2[n-]1 ZINC001171002956 931239990 /nfs/dbraw/zinc/23/99/90/931239990.db2.gz DXGQSVPUWDTSSC-UHFFFAOYSA-N -1 3 266.326 1.476 20 30 CDEDHM COC(=O)c1nc2nc(NCCCS)ccc2[n-]1 ZINC001171002956 931239995 /nfs/dbraw/zinc/23/99/95/931239995.db2.gz DXGQSVPUWDTSSC-UHFFFAOYSA-N -1 3 266.326 1.476 20 30 CDEDHM COC(=O)c1nc2ccc(NCCCS)[n-]c-2n1 ZINC001171002956 931239999 /nfs/dbraw/zinc/23/99/99/931239999.db2.gz DXGQSVPUWDTSSC-UHFFFAOYSA-N -1 3 266.326 1.476 20 30 CDEDHM N#CCNC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001090930026 931583256 /nfs/dbraw/zinc/58/32/56/931583256.db2.gz YKGSFXTXFOKQAN-UHFFFAOYSA-N -1 3 259.309 1.014 20 30 CDEDHM 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284.201 1.401 20 30 CDEDHM C=C[C@H](Oc1cc2c(cc1[O-])CCC2=O)C(=O)OC ZINC001228854301 942385423 /nfs/dbraw/zinc/38/54/23/942385423.db2.gz QTCDQPHONFHFAI-LBPRGKRZSA-N -1 3 262.261 1.628 20 30 CDEDHM O=C1C=C[C@@H](Oc2ncc(Br)cc2[O-])C1 ZINC001228958015 942400966 /nfs/dbraw/zinc/40/09/66/942400966.db2.gz ZQALARVAJUQJSH-MRVPVSSYSA-N -1 3 270.082 1.826 20 30 CDEDHM CCC1=C(Oc2cccc(-c3nnn[n-]3)c2)C(=O)[C@@H](C)O1 ZINC001231118538 942789895 /nfs/dbraw/zinc/78/98/95/942789895.db2.gz QVTXBQICBLAMRR-MRVPVSSYSA-N -1 3 286.291 1.855 20 30 CDEDHM CCC1=C(Oc2cccc(-c3nn[n-]n3)c2)C(=O)[C@@H](C)O1 ZINC001231118538 942789899 /nfs/dbraw/zinc/78/98/99/942789899.db2.gz QVTXBQICBLAMRR-MRVPVSSYSA-N -1 3 286.291 1.855 20 30 CDEDHM C=CCN1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231451711 942895698 /nfs/dbraw/zinc/89/56/98/942895698.db2.gz QVRSAEDSXWWOAC-UHFFFAOYSA-N -1 3 276.336 1.394 20 30 CDEDHM COCCN1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232674948 943357566 /nfs/dbraw/zinc/35/75/66/943357566.db2.gz 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20 30 CDEDHM C[C@@H]1C[C@]1(C#N)C(=O)N=c1[n-]n(C)cc1Br ZINC000335393458 360146852 /nfs/dbraw/zinc/14/68/52/360146852.db2.gz OFBKUTCKUNMWCX-LHLIQPBNSA-N -1 3 283.129 1.093 20 30 CDEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000359211219 360740459 /nfs/dbraw/zinc/74/04/59/360740459.db2.gz GIFJAOSLYACILE-QMMMGPOBSA-N -1 3 260.384 1.948 20 30 CDEDHM C=CCCOCC[N-]S(=O)(=O)c1sc(C)nc1C ZINC000179309260 189185113 /nfs/dbraw/zinc/18/51/13/189185113.db2.gz DHORMBAZHDKNEX-UHFFFAOYSA-N -1 3 290.410 1.631 20 30 CDEDHM C=C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000349804796 360945375 /nfs/dbraw/zinc/94/53/75/360945375.db2.gz VMUFHMSCYGGUPP-VIFPVBQESA-N -1 3 286.740 1.037 20 30 CDEDHM C=C[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000349806932 360946098 /nfs/dbraw/zinc/94/60/98/360946098.db2.gz AFLQRUDXNNKNCF-QMMMGPOBSA-N -1 3 277.292 1.098 20 30 CDEDHM COCC1(C#N)CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000436666108 361553042 /nfs/dbraw/zinc/55/30/42/361553042.db2.gz PEESLEPKBRFJOC-UHFFFAOYSA-N -1 3 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CC(=O)Nc1ccc([O-])c(C(C)=NNC[C@H](C)C#N)c1 ZINC000771106072 575549629 /nfs/dbraw/zinc/54/96/29/575549629.db2.gz AZLOGJZRWNAPCD-SECBINFHSA-N -1 3 274.324 1.824 20 30 CDEDHM CC(C#N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736202319 575588228 /nfs/dbraw/zinc/58/82/28/575588228.db2.gz MATISMTVCOVJLK-NOZJJQNGSA-N -1 3 285.303 1.439 20 30 CDEDHM CC(C#N)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000736201153 575588426 /nfs/dbraw/zinc/58/84/26/575588426.db2.gz GPSNFQMNQRTGQJ-NSHDSACASA-N -1 3 290.319 1.706 20 30 CDEDHM CCC(CC)NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC000736345602 575630493 /nfs/dbraw/zinc/63/04/93/575630493.db2.gz JMABAJASIDASQT-UHFFFAOYSA-N -1 3 258.329 1.979 20 30 CDEDHM CCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736416049 575652245 /nfs/dbraw/zinc/65/22/45/575652245.db2.gz JVWAJAXNINGLSV-UHFFFAOYSA-N -1 3 256.269 1.477 20 30 CDEDHM CCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736416049 575652246 /nfs/dbraw/zinc/65/22/46/575652246.db2.gz JVWAJAXNINGLSV-UHFFFAOYSA-N -1 3 256.269 1.477 20 30 CDEDHM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)C(C)C#N ZINC000737170234 575836221 /nfs/dbraw/zinc/83/62/21/575836221.db2.gz OLEJWTCHQLCMMQ-SNVBAGLBSA-N -1 3 294.307 1.503 20 30 CDEDHM O=C([O-])c1ccc(N=NC2CCN3CCC[C@H]23)nc1 ZINC000765584381 576041098 /nfs/dbraw/zinc/04/10/98/576041098.db2.gz NORJGSZOFUMKGT-LLVKDONJSA-N -1 3 260.297 1.416 20 30 CDEDHM N#Cc1ccc([C@H](NC[C@@H]2CCCCO2)C(=O)[O-])cc1 ZINC000739104872 576164730 /nfs/dbraw/zinc/16/47/30/576164730.db2.gz DSIUGMPSFFQXGN-KBPBESRZSA-N -1 3 274.320 1.843 20 30 CDEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000767769837 576228259 /nfs/dbraw/zinc/22/82/59/576228259.db2.gz CJIAYEOXMCVABH-MRVPVSSYSA-N -1 3 290.772 1.987 20 30 CDEDHM Cc1ccc(CCn2ccc(C=N[O-])nc2=O)cc1 ZINC000767934496 576240116 /nfs/dbraw/zinc/24/01/16/576240116.db2.gz VVMMUUGVYUISBI-UHFFFAOYSA-N -1 3 257.293 1.603 20 30 CDEDHM CCOc1ccc(/C=N\Cc2ncn(C)n2)c([O-])c1 ZINC000768269848 576267743 /nfs/dbraw/zinc/26/77/43/576267743.db2.gz RFMQNMRFIMWGLJ-AUWJEWJLSA-N -1 3 260.297 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C=C(C)[C@@H](CO)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001602747497 1175383616 /nfs/dbraw/zinc/38/36/16/1175383616.db2.gz TUOGXXMIAXUOLA-PSASIEDQSA-N -1 3 267.247 1.262 20 30 CDEDHM C[C@H](C#N)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000819856367 606060182 /nfs/dbraw/zinc/06/01/82/606060182.db2.gz JIVZXRZOEFKJQG-ZCFIWIBFSA-N -1 3 263.692 1.487 20 30 CDEDHM C[C@H](C#N)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000819856367 606060187 /nfs/dbraw/zinc/06/01/87/606060187.db2.gz JIVZXRZOEFKJQG-ZCFIWIBFSA-N -1 3 263.692 1.487 20 30 CDEDHM N#C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000822801961 606169767 /nfs/dbraw/zinc/16/97/67/606169767.db2.gz SGRYURDBVKAIFX-GWJCSSMESA-N -1 3 295.302 1.725 20 30 CDEDHM N#C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000822801961 606169768 /nfs/dbraw/zinc/16/97/68/606169768.db2.gz SGRYURDBVKAIFX-GWJCSSMESA-N -1 3 295.302 1.725 20 30 CDEDHM N#CCSCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822814505 606264788 /nfs/dbraw/zinc/26/47/88/606264788.db2.gz GQMIEYNPZCNWPR-UHFFFAOYSA-N -1 3 292.299 1.201 20 30 CDEDHM N#CCSCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822814505 606264789 /nfs/dbraw/zinc/26/47/89/606264789.db2.gz GQMIEYNPZCNWPR-UHFFFAOYSA-N -1 3 292.299 1.201 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820848231 606555048 /nfs/dbraw/zinc/55/50/48/606555048.db2.gz UBQNQCXITLQANW-NSHDSACASA-N -1 3 276.325 1.350 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820848231 606555049 /nfs/dbraw/zinc/55/50/49/606555049.db2.gz UBQNQCXITLQANW-NSHDSACASA-N -1 3 276.325 1.350 20 30 CDEDHM COCC(N=Nc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821680112 606637192 /nfs/dbraw/zinc/63/71/92/606637192.db2.gz ZYKGLXWZRDRFIJ-UHFFFAOYSA-N -1 3 272.312 1.691 20 30 CDEDHM COCC(N=Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000821680112 606637193 /nfs/dbraw/zinc/63/71/93/606637193.db2.gz ZYKGLXWZRDRFIJ-UHFFFAOYSA-N -1 3 272.312 1.691 20 30 CDEDHM CC(=NNC1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000819773585 606860459 /nfs/dbraw/zinc/86/04/59/606860459.db2.gz VTGGLGMTWMCQQB-UHFFFAOYSA-N -1 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CGZFPHRNSURYNT-QMMMGPOBSA-N -1 3 288.311 1.300 20 30 CDEDHM CC(=NNCC(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823953743 608094438 /nfs/dbraw/zinc/09/44/38/608094438.db2.gz OAUAYCIVILDALR-UHFFFAOYSA-N -1 3 272.284 1.507 20 30 CDEDHM C=CC1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC000823888551 608286250 /nfs/dbraw/zinc/28/62/50/608286250.db2.gz QAMKEQVLTJMXMW-UHFFFAOYSA-N -1 3 270.340 1.973 20 30 CDEDHM C=CC1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC000823888551 608286251 /nfs/dbraw/zinc/28/62/51/608286251.db2.gz QAMKEQVLTJMXMW-UHFFFAOYSA-N -1 3 270.340 1.973 20 30 CDEDHM C[C@@H]1OCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825015048 608540497 /nfs/dbraw/zinc/54/04/97/608540497.db2.gz ZEEMUQNSTAOHRQ-LURJTMIESA-N -1 3 293.718 1.492 20 30 CDEDHM C[C@@H]1OCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825015048 608540500 /nfs/dbraw/zinc/54/05/00/608540500.db2.gz ZEEMUQNSTAOHRQ-LURJTMIESA-N -1 3 293.718 1.492 20 30 CDEDHM CC#CCCCC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000890529988 617198396 /nfs/dbraw/zinc/19/83/96/617198396.db2.gz HCRUJVCRZNYFJE-GFCCVEGCSA-N -1 3 288.351 1.071 20 30 CDEDHM Cc1ccnc(N2CCC[C@](C)(C#N)C2)c1-c1nnn[n-]1 ZINC000826310344 609601418 /nfs/dbraw/zinc/60/14/18/609601418.db2.gz SKKMMFVHJSCVDW-CQSZACIVSA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1ccnc(N2CCC[C@](C)(C#N)C2)c1-c1nn[n-]n1 ZINC000826310344 609601420 /nfs/dbraw/zinc/60/14/20/609601420.db2.gz SKKMMFVHJSCVDW-CQSZACIVSA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1nc(N2CCN(c3ccccc3C#N)CC2)cc(=O)[n-]1 ZINC000892246123 617575782 /nfs/dbraw/zinc/57/57/82/617575782.db2.gz LNEBBCLQNRWJBU-UHFFFAOYSA-N -1 3 295.346 1.689 20 30 CDEDHM N#Cc1cnc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c(F)c1 ZINC000894371981 618828922 /nfs/dbraw/zinc/82/89/22/618828922.db2.gz FRMVNHLQGPFMLH-VIFPVBQESA-N -1 3 273.271 1.515 20 30 CDEDHM O=C1[C@H](NCc2ccc(F)c(Cl)c2)CCCN1[O-] ZINC000895162865 619383394 /nfs/dbraw/zinc/38/33/94/619383394.db2.gz OJOOTXMZKAWNOR-LLVKDONJSA-N -1 3 272.707 1.949 20 30 CDEDHM C=CCN(CC(=O)[O-])C(=O)CN(C)CC(C)(C)C ZINC000909516747 619579567 /nfs/dbraw/zinc/57/95/67/619579567.db2.gz PQQZPRIIUPBKNG-UHFFFAOYSA-N -1 3 256.346 1.064 20 30 CDEDHM Cn1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1=O ZINC000900094742 622694691 /nfs/dbraw/zinc/69/46/91/622694691.db2.gz RILJMVGFFMOSMR-UHFFFAOYSA-N -1 3 276.267 1.556 20 30 CDEDHM C=CCCC[C@H](N)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000900455180 623081174 /nfs/dbraw/zinc/08/11/74/623081174.db2.gz ZAZNOHHPKUDWJR-JTQLQIEISA-N -1 3 254.330 1.184 20 30 CDEDHM C=CCCC[C@@H](N)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000900462232 623089529 /nfs/dbraw/zinc/08/95/29/623089529.db2.gz FTSIZNIESMLPSM-NWDGAFQWSA-N -1 3 268.357 1.526 20 30 CDEDHM CCCCN([O-])C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000904208913 626213149 /nfs/dbraw/zinc/21/31/49/626213149.db2.gz MFIFNSCKVWAIPU-UHFFFAOYSA-N -1 3 297.399 1.932 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC000904210631 626214183 /nfs/dbraw/zinc/21/41/83/626214183.db2.gz VLHOSLANKYQHHG-MNOVXSKESA-N -1 3 257.330 1.984 20 30 CDEDHM C#C[C@H](NC(=O)c1c([O-])cccc1OC)[C@H]1CCCO1 ZINC000907487964 627687386 /nfs/dbraw/zinc/68/73/86/627687386.db2.gz NSCAJVADZARRDS-CMPLNLGQSA-N -1 3 275.304 1.311 20 30 CDEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000908635901 628305754 /nfs/dbraw/zinc/30/57/54/628305754.db2.gz NPITUGDALNZUOB-NSHDSACASA-N -1 3 275.308 1.322 20 30 CDEDHM C=CCCOCC[N-]S(=O)(=O)c1cnc(OC)s1 ZINC000914298510 631319832 /nfs/dbraw/zinc/31/98/32/631319832.db2.gz ZHJGAHCPHMVFKU-UHFFFAOYSA-N -1 3 292.382 1.023 20 30 CDEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccncc1 ZINC000917555913 632242254 /nfs/dbraw/zinc/24/22/54/632242254.db2.gz ZQAUJLPGEHNTQY-UHFFFAOYSA-N -1 3 253.269 1.584 20 30 CDEDHM CC(C)(C#N)CS(=O)(=O)[N-]CC(=O)C1CCCC1 ZINC000918203650 632341886 /nfs/dbraw/zinc/34/18/86/632341886.db2.gz XXKIQVMSDVQADM-UHFFFAOYSA-N -1 3 272.370 1.215 20 30 CDEDHM N#CCNC1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001115414480 1162391101 /nfs/dbraw/zinc/39/11/01/1162391101.db2.gz XSUPXVKCGMRKTI-UHFFFAOYSA-N -1 3 287.363 1.938 20 30 CDEDHM CCc1cc(-c2nn[n-]n2)ccc1OCC#CCOC ZINC001604511017 1163212855 /nfs/dbraw/zinc/21/28/55/1163212855.db2.gz PCZMSBVMVQYCCY-UHFFFAOYSA-N -1 3 272.308 1.458 20 30 CDEDHM Cc1cc(C=NN[C@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001605652675 1163635227 /nfs/dbraw/zinc/63/52/27/1163635227.db2.gz QOWMXNNSGIGIDR-LBPRGKRZSA-N -1 3 286.339 1.278 20 30 CDEDHM Cc1cc(C=NN[C@H]2CCCOC2)ccc1-c1nn[n-]n1 ZINC001605652675 1163635231 /nfs/dbraw/zinc/63/52/31/1163635231.db2.gz QOWMXNNSGIGIDR-LBPRGKRZSA-N -1 3 286.339 1.278 20 30 CDEDHM Cc1nc(C(=O)OCCCCC#N)ccc1-c1nnn[n-]1 ZINC001606035281 1163751360 /nfs/dbraw/zinc/75/13/60/1163751360.db2.gz PODVNOSLDLDJBN-UHFFFAOYSA-N -1 3 286.295 1.421 20 30 CDEDHM Cc1nc(C(=O)OCCCCC#N)ccc1-c1nn[n-]n1 ZINC001606035281 1163751364 /nfs/dbraw/zinc/75/13/64/1163751364.db2.gz PODVNOSLDLDJBN-UHFFFAOYSA-N -1 3 286.295 1.421 20 30 CDEDHM N#Cc1ccc(NC(=O)C2(F)CC2)cc1-c1nnn[n-]1 ZINC001606372452 1163879756 /nfs/dbraw/zinc/87/97/56/1163879756.db2.gz CKMKMESQQITUFU-UHFFFAOYSA-N -1 3 272.243 1.179 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PPMXEOPJLLWQDN-UHFFFAOYSA-N -1 3 274.255 1.715 20 30 CDEDHM CC1(C)OCC[C@H]1NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609147630 1164797356 /nfs/dbraw/zinc/79/73/56/1164797356.db2.gz FPNNLZXWISSOAV-GFCCVEGCSA-N -1 3 286.339 1.358 20 30 CDEDHM CC1(C)OCC[C@H]1NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609147630 1164797362 /nfs/dbraw/zinc/79/73/62/1164797362.db2.gz FPNNLZXWISSOAV-GFCCVEGCSA-N -1 3 286.339 1.358 20 30 CDEDHM CCN(CCC#N)c1ncc(-c2nnn[n-]2)cc1F ZINC001609224257 1164855766 /nfs/dbraw/zinc/85/57/66/1164855766.db2.gz OCTWUOMQCWBTQN-UHFFFAOYSA-N -1 3 261.264 1.141 20 30 CDEDHM CCN(CCC#N)c1ncc(-c2nn[n-]n2)cc1F ZINC001609224257 1164855775 /nfs/dbraw/zinc/85/57/75/1164855775.db2.gz OCTWUOMQCWBTQN-UHFFFAOYSA-N -1 3 261.264 1.141 20 30 CDEDHM Cc1c2c(nc(SCC#N)c1-c1nnn[n-]1)CCC2 ZINC001609385684 1164919344 /nfs/dbraw/zinc/91/93/44/1164919344.db2.gz SMYIYLXOURNXFW-UHFFFAOYSA-N -1 3 272.337 1.675 20 30 CDEDHM Cc1c2c(nc(SCC#N)c1-c1nn[n-]n1)CCC2 ZINC001609385684 1164919350 /nfs/dbraw/zinc/91/93/50/1164919350.db2.gz SMYIYLXOURNXFW-UHFFFAOYSA-N -1 3 272.337 1.675 20 30 CDEDHM Cc1nc(C(=O)NCC(C)(C)CC#N)ccc1-c1nnn[n-]1 ZINC001609447563 1164953331 /nfs/dbraw/zinc/95/33/31/1164953331.db2.gz RLXCHPSWEXYQAX-UHFFFAOYSA-N -1 3 299.338 1.240 20 30 CDEDHM Cc1nc(C(=O)NCC(C)(C)CC#N)ccc1-c1nn[n-]n1 ZINC001609447563 1164953333 /nfs/dbraw/zinc/95/33/33/1164953333.db2.gz RLXCHPSWEXYQAX-UHFFFAOYSA-N -1 3 299.338 1.240 20 30 CDEDHM N#CCCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC001609495406 1164976769 /nfs/dbraw/zinc/97/67/69/1164976769.db2.gz KZBHJJDMUHFJHB-UHFFFAOYSA-N -1 3 299.725 1.816 20 30 CDEDHM N#CCCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC001609495406 1164976771 /nfs/dbraw/zinc/97/67/71/1164976771.db2.gz KZBHJJDMUHFJHB-UHFFFAOYSA-N -1 3 299.725 1.816 20 30 CDEDHM N#CCCC[C@H](N)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001610621350 1165381739 /nfs/dbraw/zinc/38/17/39/1165381739.db2.gz FQTRNJMDQTXDMH-LBPRGKRZSA-N -1 3 291.307 1.110 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588325306 1173023641 /nfs/dbraw/zinc/02/36/41/1173023641.db2.gz JUPCJIYULXRAMQ-GHMZBOCLSA-N -1 3 299.334 1.114 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588325306 1173023649 /nfs/dbraw/zinc/02/36/49/1173023649.db2.gz JUPCJIYULXRAMQ-GHMZBOCLSA-N -1 3 299.334 1.114 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588325138 1173024334 /nfs/dbraw/zinc/02/43/34/1173024334.db2.gz GTHFNFJTFMFOLI-AWEZNQCLSA-N -1 3 284.323 1.790 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588325138 1173024342 /nfs/dbraw/zinc/02/43/42/1173024342.db2.gz GTHFNFJTFMFOLI-AWEZNQCLSA-N -1 3 284.323 1.790 20 30 CDEDHM C#C[C@H](C)OC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588326856 1173028459 /nfs/dbraw/zinc/02/84/59/1173028459.db2.gz XABQSHZPSORAMZ-JTQLQIEISA-N -1 3 284.319 1.709 20 30 CDEDHM C#C[C@H](C)OC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588326856 1173028466 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C#C[C@H]1CCCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC001588331532 1173034384 /nfs/dbraw/zinc/03/43/84/1173034384.db2.gz BOFJEQPBXHMCPL-VIFPVBQESA-N -1 3 287.348 1.556 20 30 CDEDHM C#C[C@H](NC(=O)c1csc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588330197 1173035660 /nfs/dbraw/zinc/03/56/60/1173035660.db2.gz WYNDOHNMVVVDFE-JTQLQIEISA-N -1 3 289.364 1.706 20 30 CDEDHM C#CC[C@@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001588335611 1173040176 /nfs/dbraw/zinc/04/01/76/1173040176.db2.gz SCSQUJQSOPALSF-GFCCVEGCSA-N -1 3 292.346 1.978 20 30 CDEDHM C#CC[C@@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001588335611 1173040189 /nfs/dbraw/zinc/04/01/89/1173040189.db2.gz SCSQUJQSOPALSF-GFCCVEGCSA-N -1 3 292.346 1.978 20 30 CDEDHM C#CCCCCCOC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588345671 1173042239 /nfs/dbraw/zinc/04/22/39/1173042239.db2.gz IGTBFGVAKUUKSL-UHFFFAOYSA-N -1 3 273.296 1.545 20 30 CDEDHM C#CCCCCCOC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588345671 1173042244 /nfs/dbraw/zinc/04/22/44/1173042244.db2.gz 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ZINC001588539702 1173078969 /nfs/dbraw/zinc/07/89/69/1173078969.db2.gz VVNYAJDEIKOSOX-UHFFFAOYSA-N -1 3 288.311 1.302 20 30 CDEDHM C=CCCCC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588590377 1173085364 /nfs/dbraw/zinc/08/53/64/1173085364.db2.gz KIFYANGPKZIHLS-UHFFFAOYSA-N -1 3 289.314 1.978 20 30 CDEDHM C=CCCCC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588590377 1173085375 /nfs/dbraw/zinc/08/53/75/1173085375.db2.gz KIFYANGPKZIHLS-UHFFFAOYSA-N -1 3 289.314 1.978 20 30 CDEDHM C=CCN(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588626704 1173090150 /nfs/dbraw/zinc/09/01/50/1173090150.db2.gz QAEQRTXJAGXMGK-UHFFFAOYSA-N -1 3 290.302 1.333 20 30 CDEDHM C=CCN(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588626704 1173090158 /nfs/dbraw/zinc/09/01/58/1173090158.db2.gz QAEQRTXJAGXMGK-UHFFFAOYSA-N -1 3 290.302 1.333 20 30 CDEDHM CC#CC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588738164 1173102795 /nfs/dbraw/zinc/10/27/95/1173102795.db2.gz LMJGOORTCALXQN-GFCCVEGCSA-N -1 3 257.297 1.053 20 30 CDEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc[nH]n1 ZINC001588780773 1173104695 /nfs/dbraw/zinc/10/46/95/1173104695.db2.gz NMXNUXNWKGJBIR-UHFFFAOYSA-N -1 3 268.284 1.426 20 30 CDEDHM CC(C)C#CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001589385058 1173141422 /nfs/dbraw/zinc/14/14/22/1173141422.db2.gz WDCPWVYCNDLVRR-LLVKDONJSA-N -1 3 283.335 1.703 20 30 CDEDHM CC(C)C#CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001589385058 1173141429 /nfs/dbraw/zinc/14/14/29/1173141429.db2.gz WDCPWVYCNDLVRR-LLVKDONJSA-N -1 3 283.335 1.703 20 30 CDEDHM C[C@H](CC#N)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589788383 1173181500 /nfs/dbraw/zinc/18/15/00/1173181500.db2.gz XNLMYTOSECVIMM-WDEREUQCSA-N -1 3 298.350 1.464 20 30 CDEDHM C[C@H](CC#N)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589788383 1173181504 /nfs/dbraw/zinc/18/15/04/1173181504.db2.gz XNLMYTOSECVIMM-WDEREUQCSA-N -1 3 298.350 1.464 20 30 CDEDHM CC1(O)CCC(N=Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590150327 1173272624 /nfs/dbraw/zinc/27/26/24/1173272624.db2.gz 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/nfs/dbraw/zinc/74/48/08/1173744808.db2.gz GNBJCAVIXSFMMU-FPLPWBNLSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)n(C)n1 ZINC001591906770 1173744815 /nfs/dbraw/zinc/74/48/15/1173744815.db2.gz GNBJCAVIXSFMMU-FPLPWBNLSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](CC#N)C2)n1 ZINC001592080424 1173793570 /nfs/dbraw/zinc/79/35/70/1173793570.db2.gz MQXLVRLFAROSSN-NSHDSACASA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](CC#N)C2)n1 ZINC001592080424 1173793576 /nfs/dbraw/zinc/79/35/76/1173793576.db2.gz MQXLVRLFAROSSN-NSHDSACASA-N -1 3 283.339 1.700 20 30 CDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](C#N)C1CCCC1 ZINC001592560755 1173919916 /nfs/dbraw/zinc/91/99/16/1173919916.db2.gz QGGJQVFPRQNVIJ-LLVKDONJSA-N -1 3 299.338 1.017 20 30 CDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](C#N)C1CCCC1 ZINC001592560755 1173919918 /nfs/dbraw/zinc/91/99/18/1173919918.db2.gz QGGJQVFPRQNVIJ-LLVKDONJSA-N -1 3 299.338 1.017 20 30 CDEDHM Cn1cc(NN=Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001592574390 1173921571 /nfs/dbraw/zinc/92/15/71/1173921571.db2.gz GXTUUINGYMQZTK-UHFFFAOYSA-N -1 3 268.284 1.046 20 30 CDEDHM N#CC1(C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)CCC1 ZINC001592669246 1173959583 /nfs/dbraw/zinc/95/95/83/1173959583.db2.gz MTQJHLPUQHOGIK-UHFFFAOYSA-N -1 3 294.318 1.403 20 30 CDEDHM N#CC1(C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)CCC1 ZINC001592669246 1173959587 /nfs/dbraw/zinc/95/95/87/1173959587.db2.gz MTQJHLPUQHOGIK-UHFFFAOYSA-N -1 3 294.318 1.403 20 30 CDEDHM N#C[C@@]1(F)CCN(Cc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001592670800 1173959709 /nfs/dbraw/zinc/95/97/09/1173959709.db2.gz PNANECFWZNRQNC-ZDUSSCGKSA-N -1 3 290.277 1.443 20 30 CDEDHM N#C[C@@]1(F)CCN(Cc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001592670800 1173959712 /nfs/dbraw/zinc/95/97/12/1173959712.db2.gz PNANECFWZNRQNC-ZDUSSCGKSA-N -1 3 290.277 1.443 20 30 CDEDHM N#CCCOCCSc1ccccc1-c1nnn[n-]1 ZINC001592677627 1173967759 /nfs/dbraw/zinc/96/77/59/1173967759.db2.gz DBTFDTNZCHLYPU-UHFFFAOYSA-N -1 3 275.337 1.889 20 30 CDEDHM N#CCCOCCSc1ccccc1-c1nn[n-]n1 ZINC001592677627 1173967764 /nfs/dbraw/zinc/96/77/64/1173967764.db2.gz DBTFDTNZCHLYPU-UHFFFAOYSA-N -1 3 275.337 1.889 20 30 CDEDHM N#CCCNc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001592678019 1173967833 /nfs/dbraw/zinc/96/78/33/1173967833.db2.gz LVPATNRLEJZXRA-UHFFFAOYSA-N -1 3 293.128 1.955 20 30 CDEDHM N#CCCNc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001592678019 1173967835 /nfs/dbraw/zinc/96/78/35/1173967835.db2.gz LVPATNRLEJZXRA-UHFFFAOYSA-N -1 3 293.128 1.955 20 30 CDEDHM N#Cc1cc(C(=O)NOc2cccc(-c3nnn[n-]3)c2)co1 ZINC001592688060 1173972541 /nfs/dbraw/zinc/97/25/41/1173972541.db2.gz WERVBJJATRZGHG-UHFFFAOYSA-N -1 3 296.246 1.055 20 30 CDEDHM N#Cc1cc(C(=O)NOc2cccc(-c3nn[n-]n3)c2)co1 ZINC001592688060 1173972546 /nfs/dbraw/zinc/97/25/46/1173972546.db2.gz WERVBJJATRZGHG-UHFFFAOYSA-N -1 3 296.246 1.055 20 30 CDEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)s2)nc1 ZINC001592697082 1173974032 /nfs/dbraw/zinc/97/40/32/1173974032.db2.gz LMXHBXTVTVZCGE-UHFFFAOYSA-N -1 3 283.320 1.807 20 30 CDEDHM N#Cc1ncn(Cc2csc(Cl)n2)c1-c1nnn[n-]1 ZINC001592710115 1173979990 /nfs/dbraw/zinc/97/99/90/1173979990.db2.gz RXVCNYJCZGUNLI-UHFFFAOYSA-N -1 3 292.715 1.093 20 30 CDEDHM Cc1oc(CNC(=O)[C@H](N)CCCCC#N)cc1C(=O)[O-] ZINC001600848194 1174642999 /nfs/dbraw/zinc/64/29/99/1174642999.db2.gz YGGQRZHQACITSX-GFCCVEGCSA-N -1 3 293.323 1.314 20 30 CDEDHM Cn1cc(C(C)(C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC001600938983 1174670146 /nfs/dbraw/zinc/67/01/46/1174670146.db2.gz LUWCLSONUCDEQI-CQSZACIVSA-N -1 3 298.346 1.942 20 30 CDEDHM N#Cc1cnn2cc(CN3CCC[C@@H]3CC(=O)[O-])cnc12 ZINC001601131162 1174755587 /nfs/dbraw/zinc/75/55/87/1174755587.db2.gz SBIBFGDYQOVIEY-GFCCVEGCSA-N -1 3 285.307 1.040 20 30 CDEDHM C#CC[C@H](COC)NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001602683135 1175350815 /nfs/dbraw/zinc/35/08/15/1175350815.db2.gz JDPNIIVDKVJGIW-GXTWGEPZSA-N -1 3 291.347 1.666 20 30 CDEDHM C#CCC[C@H](O)CNc1ccc(-c2nn[n-]n2)cc1F ZINC001602703482 1175367481 /nfs/dbraw/zinc/36/74/81/1175367481.db2.gz SEMXJEYOKMKAIZ-JTQLQIEISA-N -1 3 275.287 1.192 20 30 CDEDHM C#CCCCC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001602703090 1175367783 /nfs/dbraw/zinc/36/77/83/1175367783.db2.gz LOZVDJBTMWMSPN-UHFFFAOYSA-N -1 3 289.364 1.690 20 30 CDEDHM C#CCCCC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001602703090 1175367787 /nfs/dbraw/zinc/36/77/87/1175367787.db2.gz LOZVDJBTMWMSPN-UHFFFAOYSA-N -1 3 289.364 1.690 20 30 CDEDHM C=C(C)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001602752574 1175387409 /nfs/dbraw/zinc/38/74/09/1175387409.db2.gz FBPAATWOJQCZPR-MRVPVSSYSA-N -1 3 261.285 1.625 20 30 CDEDHM C=C(C)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001602752574 1175387412 /nfs/dbraw/zinc/38/74/12/1175387412.db2.gz FBPAATWOJQCZPR-MRVPVSSYSA-N -1 3 261.285 1.625 20 30 CDEDHM C=C(C)CONC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602763481 1175391674 /nfs/dbraw/zinc/39/16/74/1175391674.db2.gz PAQHEZUSQRNPFJ-UHFFFAOYSA-N -1 3 273.296 1.413 20 30 CDEDHM C=C(C)CONC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602763481 1175391677 /nfs/dbraw/zinc/39/16/77/1175391677.db2.gz PAQHEZUSQRNPFJ-UHFFFAOYSA-N -1 3 273.296 1.413 20 30 CDEDHM C=CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)[nH]2)n1CC ZINC001602847534 1175432293 /nfs/dbraw/zinc/43/22/93/1175432293.db2.gz UJGPMPBRMDPFFD-UHFFFAOYSA-N -1 3 299.342 1.095 20 30 CDEDHM C=CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)[nH]2)n1CC ZINC001602847534 1175432296 /nfs/dbraw/zinc/43/22/96/1175432296.db2.gz UJGPMPBRMDPFFD-UHFFFAOYSA-N -1 3 299.342 1.095 20 30 CDEDHM CC(C)C#CC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001603190119 1175512222 /nfs/dbraw/zinc/51/22/22/1175512222.db2.gz WUMCMXNZORCFSC-UHFFFAOYSA-N -1 3 297.362 1.527 20 30 CDEDHM CC(C)C#CC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001603190119 1175512227 /nfs/dbraw/zinc/51/22/27/1175512227.db2.gz WUMCMXNZORCFSC-UHFFFAOYSA-N -1 3 297.362 1.527 20 30 CDEDHM C[C@@H]1C[C@@H](CNc2c(C#N)cccc2-c2nnn[n-]2)[C@@H](C)O1 ZINC001603850244 1175652666 /nfs/dbraw/zinc/65/26/66/1175652666.db2.gz DXVFOAHKJWNUOF-FOGDFJRCSA-N -1 3 298.350 1.964 20 30 CDEDHM C[C@@H]1C[C@@H](CNc2c(C#N)cccc2-c2nn[n-]n2)[C@@H](C)O1 ZINC001603850244 1175652667 /nfs/dbraw/zinc/65/26/67/1175652667.db2.gz DXVFOAHKJWNUOF-FOGDFJRCSA-N -1 3 298.350 1.964 20 30 CDEDHM C[C@@H]1CCN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@@H]1F ZINC001603912477 1175682143 /nfs/dbraw/zinc/68/21/43/1175682143.db2.gz RKGSPBJNWHIZCL-SKDRFNHKSA-N -1 3 286.314 1.923 20 30 CDEDHM C[C@@H]1CCN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@@H]1F ZINC001603912477 1175682146 /nfs/dbraw/zinc/68/21/46/1175682146.db2.gz RKGSPBJNWHIZCL-SKDRFNHKSA-N -1 3 286.314 1.923 20 30 CDEDHM Cc1cc(CN2CCC([C@H](O)C(=O)[O-])CC2)ccc1C#N ZINC001607637663 1164248444 /nfs/dbraw/zinc/24/84/44/1164248444.db2.gz FYDRZJBKYVVXPV-HNNXBMFYSA-N -1 3 288.347 1.524 20 30 CDEDHM N#CCCC[C@H](N)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001608179874 1164438883 /nfs/dbraw/zinc/43/88/83/1164438883.db2.gz BVIANESUQLIJBC-VOAKCMCISA-N -1 3 293.367 1.109 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1sccc1-c1nnn[n-]1 ZINC001609018719 1164726774 /nfs/dbraw/zinc/72/67/74/1164726774.db2.gz DQBXZMZHWOWHPM-ZETCQYMHSA-N -1 3 261.310 1.070 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1sccc1-c1nn[n-]n1 ZINC001609018719 1164726783 /nfs/dbraw/zinc/72/67/83/1164726783.db2.gz DQBXZMZHWOWHPM-ZETCQYMHSA-N -1 3 261.310 1.070 20 30 CDEDHM C=C(C)CCNC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001609051182 1164744204 /nfs/dbraw/zinc/74/42/04/1164744204.db2.gz QHTIWEMLZNBLJP-UHFFFAOYSA-N -1 3 260.301 1.199 20 30 CDEDHM C=C(C)CCNC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001609051182 1164744211 /nfs/dbraw/zinc/74/42/11/1164744211.db2.gz QHTIWEMLZNBLJP-UHFFFAOYSA-N -1 3 260.301 1.199 20 30 CDEDHM CC[C@H](C)NN=Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609187188 1164829258 /nfs/dbraw/zinc/82/92/58/1164829258.db2.gz WYPBSUXCQQATLY-QMMMGPOBSA-N -1 3 262.292 1.728 20 30 CDEDHM CC[C@H](C)NN=Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609187188 1164829266 /nfs/dbraw/zinc/82/92/66/1164829266.db2.gz WYPBSUXCQQATLY-QMMMGPOBSA-N -1 3 262.292 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C=CC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588489228 1173067916 /nfs/dbraw/zinc/06/79/16/1173067916.db2.gz YURPHXCPGLGJJJ-UHFFFAOYSA-N -1 3 257.297 1.561 20 30 CDEDHM C=CC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588489228 1173067920 /nfs/dbraw/zinc/06/79/20/1173067920.db2.gz YURPHXCPGLGJJJ-UHFFFAOYSA-N -1 3 257.297 1.561 20 30 CDEDHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(F)cc1C#N ZINC000071264001 176097242 /nfs/dbraw/zinc/09/72/42/176097242.db2.gz HEYZOPHSVQWDSE-LBPRGKRZSA-N -1 3 250.273 1.992 20 30 CDEDHM C[C@H](C#N)OCCOC(=O)c1sccc1-c1nnn[n-]1 ZINC001588934090 1173115962 /nfs/dbraw/zinc/11/59/62/1173115962.db2.gz DKNNJIRNGXSOKE-SSDOTTSWSA-N -1 3 293.308 1.014 20 30 CDEDHM Cc1nc(C)c(S(=O)(=O)[N-]CC2(C#N)CCC2)s1 ZINC000331949610 228141097 /nfs/dbraw/zinc/14/10/97/228141097.db2.gz IKPFLNRCGFHRLJ-UHFFFAOYSA-N -1 3 285.394 1.732 20 30 CDEDHM Cc1cccc(S(=O)(=O)[N-]CC(C)(C)C#N)c1F ZINC000313225310 260263245 /nfs/dbraw/zinc/26/32/45/260263245.db2.gz WYPKITVUDPCTKH-UHFFFAOYSA-N -1 3 270.329 1.962 20 30 CDEDHM C[C@H](CC#N)NN=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001589787860 1173181427 /nfs/dbraw/zinc/18/14/27/1173181427.db2.gz QUNLUBMGJWPFAE-SSDOTTSWSA-N -1 3 291.265 1.371 20 30 CDEDHM C[C@H](CC#N)NN=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001589787860 1173181428 /nfs/dbraw/zinc/18/14/28/1173181428.db2.gz QUNLUBMGJWPFAE-SSDOTTSWSA-N -1 3 291.265 1.371 20 30 CDEDHM C#CCN(CC)CC(=O)N=c1cc[n-]n1[C@H](C)C1CC1 ZINC000490841574 261224311 /nfs/dbraw/zinc/22/43/11/261224311.db2.gz VPFWZWKQXOIUHC-GFCCVEGCSA-N -1 3 274.368 1.170 20 30 CDEDHM Cc1ccc(C(=O)NC2(C#N)CCSCC2)c([O-])c1O ZINC000182904804 261955419 /nfs/dbraw/zinc/95/54/19/261955419.db2.gz OVSUSOFVWVNXJI-UHFFFAOYSA-N -1 3 292.360 1.925 20 30 CDEDHM C=CCO[N-]C(=O)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000497255126 262125162 /nfs/dbraw/zinc/12/51/62/262125162.db2.gz YBIVOJWAGLGNLM-SNVBAGLBSA-N -1 3 256.302 1.089 20 30 CDEDHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C)C#N)c(F)c1 ZINC000194623212 262240549 /nfs/dbraw/zinc/24/05/49/262240549.db2.gz AYCUFCWNSCYAMY-VIFPVBQESA-N -1 3 256.302 1.466 20 30 CDEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000271225990 262995311 /nfs/dbraw/zinc/99/53/11/262995311.db2.gz RAWXVCATFCEAKC-MJPAODETSA-N -1 3 264.325 1.574 20 30 CDEDHM Cc1noc(C)c1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000272350435 263003524 /nfs/dbraw/zinc/00/35/24/263003524.db2.gz DDOZUKSURQXETE-LBPRGKRZSA-N -1 3 285.369 1.898 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000287585242 263102266 /nfs/dbraw/zinc/10/22/66/263102266.db2.gz LPSRPNMLVQRFSB-ZDUSSCGKSA-N -1 3 270.296 1.745 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000287585242 263102267 /nfs/dbraw/zinc/10/22/67/263102267.db2.gz LPSRPNMLVQRFSB-ZDUSSCGKSA-N -1 3 270.296 1.745 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000287585242 263102268 /nfs/dbraw/zinc/10/22/68/263102268.db2.gz LPSRPNMLVQRFSB-ZDUSSCGKSA-N -1 3 270.296 1.745 20 30 CDEDHM COCC[C@@H](/N=C/c1ccccc1[O-])C(=O)OC ZINC000290463876 263116971 /nfs/dbraw/zinc/11/69/71/263116971.db2.gz FUYOUQNLRGTKCR-ZECSTPGPSA-N -1 3 251.282 1.389 20 30 CDEDHM C=CCCS(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000121107623 263291072 /nfs/dbraw/zinc/29/10/72/263291072.db2.gz JHLUQJANOPHWBW-VIFPVBQESA-N -1 3 287.385 1.924 20 30 CDEDHM COc1ccc(C(=O)NC[C@]2(O)CCSC2)c([O-])c1 ZINC000331226127 264150687 /nfs/dbraw/zinc/15/06/87/264150687.db2.gz CNCYMWIBWIFETI-CYBMUJFWSA-N -1 3 283.349 1.573 20 30 CDEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCN(C)C2=O)cc1[O-] ZINC000331245276 264178621 /nfs/dbraw/zinc/17/86/21/264178621.db2.gz TXGGSCNCSXSEME-LLVKDONJSA-N -1 3 276.292 1.130 20 30 CDEDHM Cc1cccc(C(=O)NCCN2CCOC[C@@H]2C)c1[O-] ZINC000331248613 264180457 /nfs/dbraw/zinc/18/04/57/264180457.db2.gz XDROQJOCCRGLRG-LBPRGKRZSA-N -1 3 278.352 1.726 20 30 CDEDHM CC1(C#N)CN(Cc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590057129 1173241303 /nfs/dbraw/zinc/24/13/03/1173241303.db2.gz ZUEHQOCEBDHDHZ-UHFFFAOYSA-N -1 3 272.287 1.351 20 30 CDEDHM CC1(C#N)CN(Cc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590057129 1173241308 /nfs/dbraw/zinc/24/13/08/1173241308.db2.gz ZUEHQOCEBDHDHZ-UHFFFAOYSA-N -1 3 272.287 1.351 20 30 CDEDHM C=CCN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)C1CC1 ZINC000357514423 266314734 /nfs/dbraw/zinc/31/47/34/266314734.db2.gz SYZGVHVWMUOQSY-UHFFFAOYSA-N -1 3 295.364 1.244 20 30 CDEDHM C[C@]1([N-]S(=O)(=O)c2cccnc2C#N)CC=CCC1 ZINC000398300331 267263295 /nfs/dbraw/zinc/26/32/95/267263295.db2.gz MNVOTXRGUOGKBV-ZDUSSCGKSA-N -1 3 277.349 1.730 20 30 CDEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000416593576 303218202 /nfs/dbraw/zinc/21/82/02/303218202.db2.gz NWJNDMXHQZHFJR-NXEZZACHSA-N -1 3 283.328 1.512 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)OCC#N ZINC001591845498 1173715505 /nfs/dbraw/zinc/71/55/05/1173715505.db2.gz YOOKBXNUAXFZCN-UHFFFAOYSA-N -1 3 271.280 1.093 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)OCC#N ZINC001591845498 1173715507 /nfs/dbraw/zinc/71/55/07/1173715507.db2.gz YOOKBXNUAXFZCN-UHFFFAOYSA-N -1 3 271.280 1.093 20 30 CDEDHM COc1cc(-c2noc(-c3cnn(C)c3C#N)n2)ccc1[O-] ZINC000350580056 316181560 /nfs/dbraw/zinc/18/15/60/316181560.db2.gz OTBXDYYZMHSWJQ-UHFFFAOYSA-N -1 3 297.274 1.723 20 30 CDEDHM C[C@H](/N=C/c1ccc(O)c([O-])c1O)[C@@H]1CCOC1 ZINC000281040976 328238480 /nfs/dbraw/zinc/23/84/80/328238480.db2.gz PKYQMBTUJUXQCJ-MREDKONLSA-N -1 3 251.282 1.647 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)CC(C)(C)C ZINC001592340996 1173861846 /nfs/dbraw/zinc/86/18/46/1173861846.db2.gz NDARAEDDZSQVRA-UHFFFAOYSA-N -1 3 287.327 1.249 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)CC(C)(C)C ZINC001592340996 1173861850 /nfs/dbraw/zinc/86/18/50/1173861850.db2.gz NDARAEDDZSQVRA-UHFFFAOYSA-N -1 3 287.327 1.249 20 30 CDEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)Cc1ccccc1F ZINC000330905395 327370690 /nfs/dbraw/zinc/37/06/90/327370690.db2.gz DFZPDPZLJOZWAF-LBPRGKRZSA-N -1 3 270.329 1.793 20 30 CDEDHM C=C(C)CS(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000377328307 329011476 /nfs/dbraw/zinc/01/14/76/329011476.db2.gz AQSVDPQCVDMGNP-UHFFFAOYSA-N -1 3 296.327 1.929 20 30 CDEDHM CC[C@@H](CS(=O)(=O)[N-]c1ccc(CC#N)cc1)OC ZINC000421149994 329805023 /nfs/dbraw/zinc/80/50/23/329805023.db2.gz GUAIOUOJIYATOP-ZDUSSCGKSA-N -1 3 282.365 1.919 20 30 CDEDHM CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H](C#N)C(C)C ZINC000421251797 329808795 /nfs/dbraw/zinc/80/87/95/329808795.db2.gz QVKWPUPMWBWYFX-NEPJUHHUSA-N -1 3 276.402 1.515 20 30 CDEDHM CCC(C#N)(CC)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000528223333 330315784 /nfs/dbraw/zinc/31/57/84/330315784.db2.gz WHERJVCZARQGBL-UHFFFAOYSA-N -1 3 259.269 1.814 20 30 CDEDHM C#CCNC(=O)[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117112875 330363813 /nfs/dbraw/zinc/36/38/13/330363813.db2.gz WZKYDTHFSBRWKL-SECBINFHSA-N -1 3 287.348 1.097 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000456272899 331188604 /nfs/dbraw/zinc/18/86/04/331188604.db2.gz ZGLIBZXEXDUGGT-YPMHNXCESA-N -1 3 263.293 1.561 20 30 CDEDHM N#CC1(F)CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459469793 331283288 /nfs/dbraw/zinc/28/32/88/331283288.db2.gz SISVVAWNGXKMSN-UHFFFAOYSA-N -1 3 276.315 1.887 20 30 CDEDHM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OCC)[C@H](C)CC ZINC000489567443 332059660 /nfs/dbraw/zinc/05/96/60/332059660.db2.gz WYSKNOXEMQGFLX-NEPJUHHUSA-N -1 3 291.413 1.850 20 30 CDEDHM C=CCCO[C@@H](C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490945227 332131504 /nfs/dbraw/zinc/13/15/04/332131504.db2.gz YEJVFTFZFPHANW-QMMMGPOBSA-N -1 3 289.282 1.363 20 30 CDEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1sccc1OC ZINC000491254632 332175278 /nfs/dbraw/zinc/17/52/78/332175278.db2.gz UEINMQFGDWFMIV-MRVPVSSYSA-N -1 3 259.352 1.447 20 30 CDEDHM C#C[C@@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)C(C)C ZINC000491407155 332206372 /nfs/dbraw/zinc/20/63/72/332206372.db2.gz QHHSGBVEPNZABF-LLVKDONJSA-N -1 3 283.397 1.480 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000491657019 332268646 /nfs/dbraw/zinc/26/86/46/332268646.db2.gz JFRIRSNFGPWKDO-JTQLQIEISA-N -1 3 280.349 1.152 20 30 CDEDHM C#CCN(CC#CC)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000491749325 332326404 /nfs/dbraw/zinc/32/64/04/332326404.db2.gz QJLJBTMLKNRFEY-UHFFFAOYSA-N -1 3 270.267 1.196 20 30 CDEDHM C#CCN(CC#CC)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000491749325 332326405 /nfs/dbraw/zinc/32/64/05/332326405.db2.gz QJLJBTMLKNRFEY-UHFFFAOYSA-N -1 3 270.267 1.196 20 30 CDEDHM C#CCN(CC#CC)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000491749325 332326407 /nfs/dbraw/zinc/32/64/07/332326407.db2.gz QJLJBTMLKNRFEY-UHFFFAOYSA-N -1 3 270.267 1.196 20 30 CDEDHM C#C[C@H](CCC)NC(=O)CNC(=O)c1cccc([O-])c1 ZINC000491816922 332367761 /nfs/dbraw/zinc/36/77/61/332367761.db2.gz IHCYCFPNMVXDAL-GFCCVEGCSA-N -1 3 274.320 1.040 20 30 CDEDHM N#C[C@@H]1CSCCN1C(=O)/C=C\c1cncc([O-])c1 ZINC000492446916 332397796 /nfs/dbraw/zinc/39/77/96/332397796.db2.gz UWMSDZXCYDPLLC-RFMOXSJOSA-N -1 3 275.333 1.268 20 30 CDEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000233898429 333355879 /nfs/dbraw/zinc/35/58/79/333355879.db2.gz RVNVHOSWTAVDNX-VIFPVBQESA-N -1 3 298.320 1.294 20 30 CDEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000316005220 333384786 /nfs/dbraw/zinc/38/47/86/333384786.db2.gz RDSQQJRJKGEKJU-NSHDSACASA-N -1 3 287.356 1.740 20 30 CDEDHM N#CCCN(CC1CC1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554412043 334429220 /nfs/dbraw/zinc/42/92/20/334429220.db2.gz LMVOEVKUAVNWHB-UHFFFAOYSA-N -1 3 283.335 1.914 20 30 CDEDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)C#N)c1C ZINC000178355709 335427610 /nfs/dbraw/zinc/42/76/10/335427610.db2.gz JVTPAEPIUPOGKV-QMMMGPOBSA-N -1 3 297.336 1.650 20 30 CDEDHM C=CCCS(=O)(=O)[N-]c1ccccc1-n1cncn1 ZINC000676233111 483444541 /nfs/dbraw/zinc/44/45/41/483444541.db2.gz HFNWERCCTFCUSY-UHFFFAOYSA-N -1 3 278.337 1.585 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000754711392 576911613 /nfs/dbraw/zinc/91/16/13/576911613.db2.gz PHNSBPCHTHPKKB-UHFFFAOYSA-N -1 3 296.179 1.849 20 30 CDEDHM CC(C)OCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000186580354 519768165 /nfs/dbraw/zinc/76/81/65/519768165.db2.gz TYKQNNDACFUPED-UHFFFAOYSA-N -1 3 286.328 1.401 20 30 CDEDHM CCc1ccc([O-])c(NC(=O)c2cnn(C)c2C#N)c1 ZINC000356544419 524000753 /nfs/dbraw/zinc/00/07/53/524000753.db2.gz SADGGGKYJYNLER-UHFFFAOYSA-N -1 3 270.292 1.812 20 30 CDEDHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000330136697 534780975 /nfs/dbraw/zinc/78/09/75/534780975.db2.gz UJEBWTVGBSULSK-MRVPVSSYSA-N -1 3 277.284 1.136 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000334690610 527481879 /nfs/dbraw/zinc/48/18/79/527481879.db2.gz WCZBORAUTUELAT-ZJUUUORDSA-N -1 3 257.311 1.292 20 30 CDEDHM C=C(C)COC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000726206190 574494218 /nfs/dbraw/zinc/49/42/18/574494218.db2.gz KYIWYPGINSWRAH-UHFFFAOYSA-N -1 3 277.320 1.940 20 30 CDEDHM N#CCCCOc1cccc(C=NN2CC(=O)[N-]C2=O)c1 ZINC000726736979 574504924 /nfs/dbraw/zinc/50/49/24/574504924.db2.gz CFGLAYRWNKZGPX-UHFFFAOYSA-N -1 3 286.291 1.255 20 30 CDEDHM C#Cc1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)nc1 ZINC000728962701 574678410 /nfs/dbraw/zinc/67/84/10/574678410.db2.gz XTDXJEWTAUGGJO-UHFFFAOYSA-N -1 3 279.259 1.693 20 30 CDEDHM C#Cc1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)nc1 ZINC000728962701 574678411 /nfs/dbraw/zinc/67/84/11/574678411.db2.gz XTDXJEWTAUGGJO-UHFFFAOYSA-N -1 3 279.259 1.693 20 30 CDEDHM C#Cc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)nc1 ZINC000728962701 574678413 /nfs/dbraw/zinc/67/84/13/574678413.db2.gz XTDXJEWTAUGGJO-UHFFFAOYSA-N -1 3 279.259 1.693 20 30 CDEDHM COCCCNC(=S)NN=C(C)c1ccc([O-])cc1F ZINC000729932173 574831512 /nfs/dbraw/zinc/83/15/12/574831512.db2.gz GLRMKVNKSGKSAD-UHFFFAOYSA-N -1 3 299.371 1.756 20 30 CDEDHM CO[C@H](C)C(C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000763172036 575025456 /nfs/dbraw/zinc/02/54/56/575025456.db2.gz SXKIBFZYZHBNAU-GFCCVEGCSA-N -1 3 284.381 1.559 20 30 CDEDHM CC(=NNCC(C)(C)S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000774495160 575208787 /nfs/dbraw/zinc/20/87/87/575208787.db2.gz GTBMQVBMOHCNLM-UHFFFAOYSA-N -1 3 298.408 1.837 20 30 CDEDHM CCOc1ccc(/C=N/C[C@@H]2CC[C@@H](C(N)=O)O2)c([O-])c1 ZINC000759644486 576414657 /nfs/dbraw/zinc/41/46/57/576414657.db2.gz UJMCJIJASGIOHT-RFGZAYNTSA-N -1 3 292.335 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C=C(C)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823878358 607385511 /nfs/dbraw/zinc/38/55/11/607385511.db2.gz WLERPNKPUYUZJH-UHFFFAOYSA-N -1 3 258.281 1.908 20 30 CDEDHM C=C(C)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823878358 607385513 /nfs/dbraw/zinc/38/55/13/607385513.db2.gz WLERPNKPUYUZJH-UHFFFAOYSA-N -1 3 258.281 1.908 20 30 CDEDHM N#Cc1ccc(NC(=O)CC2CCC2)cc1-c1nn[n-]n1 ZINC000822829899 599632159 /nfs/dbraw/zinc/63/21/59/599632159.db2.gz OHPHPUYYZQKRRY-UHFFFAOYSA-N -1 3 282.307 1.867 20 30 CDEDHM N#Cc1ccc(NC(=O)CC2CCC2)cc1-c1nnn[n-]1 ZINC000822829899 599632158 /nfs/dbraw/zinc/63/21/58/599632158.db2.gz OHPHPUYYZQKRRY-UHFFFAOYSA-N -1 3 282.307 1.867 20 30 CDEDHM CC#CCOC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819765346 599650186 /nfs/dbraw/zinc/65/01/86/599650186.db2.gz OSLRRPPDFKEPKP-JTQLQIEISA-N -1 3 286.291 1.201 20 30 CDEDHM CC[C@@H](C(=O)[O-])N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000828603782 601006076 /nfs/dbraw/zinc/00/60/76/601006076.db2.gz OZSMJZUQPGRZNN-GJZGRUSLSA-N -1 3 287.363 1.732 20 30 CDEDHM COc1ccc(CN(C)C[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC000826193295 607492519 /nfs/dbraw/zinc/49/25/19/607492519.db2.gz ZEDMHMWYVGQIKO-JTQLQIEISA-N -1 3 286.339 1.467 20 30 CDEDHM COc1ccc(CN(C)C[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC000826193295 607492521 /nfs/dbraw/zinc/49/25/21/607492521.db2.gz ZEDMHMWYVGQIKO-JTQLQIEISA-N -1 3 286.339 1.467 20 30 CDEDHM C[C@@H]1OCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000825014129 607652664 /nfs/dbraw/zinc/65/26/64/607652664.db2.gz TZOUXYOOMZGCBW-QMMMGPOBSA-N -1 3 258.285 1.443 20 30 CDEDHM C[C@@H]1OCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000825014129 607652667 /nfs/dbraw/zinc/65/26/67/607652667.db2.gz TZOUXYOOMZGCBW-QMMMGPOBSA-N -1 3 258.285 1.443 20 30 CDEDHM C[C@H](C#N)CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000819856379 606240332 /nfs/dbraw/zinc/24/03/32/606240332.db2.gz JQIGRWOLVJENAU-ZCFIWIBFSA-N -1 3 297.244 1.852 20 30 CDEDHM C[C@H](C#N)CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000819856379 606240334 /nfs/dbraw/zinc/24/03/34/606240334.db2.gz JQIGRWOLVJENAU-ZCFIWIBFSA-N 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C[C@@H](C#N)CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819845517 606832957 /nfs/dbraw/zinc/83/29/57/606832957.db2.gz WAECEAWBRNAOJR-VHSXEESVSA-N -1 3 299.338 1.387 20 30 CDEDHM C[C@@H](CC#N)N(C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820220117 607086892 /nfs/dbraw/zinc/08/68/92/607086892.db2.gz NTGHMEWTZZLHFZ-JTQLQIEISA-N -1 3 299.338 1.039 20 30 CDEDHM C[C@@H](CC#N)N(C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820220117 607086895 /nfs/dbraw/zinc/08/68/95/607086895.db2.gz NTGHMEWTZZLHFZ-JTQLQIEISA-N -1 3 299.338 1.039 20 30 CDEDHM Cc1c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC000826236092 607883456 /nfs/dbraw/zinc/88/34/56/607883456.db2.gz YFMVGYHQCKVPAK-FPLPWBNLSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826236092 607883457 /nfs/dbraw/zinc/88/34/57/607883457.db2.gz YFMVGYHQCKVPAK-FPLPWBNLSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1csc(C=NNCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826321290 607889498 /nfs/dbraw/zinc/88/94/98/607889498.db2.gz 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/nfs/dbraw/zinc/05/35/98/1173053598.db2.gz KZLJNBACAMKTHY-UHFFFAOYSA-N -1 3 297.343 1.753 20 30 CDEDHM C(=NNCC1CCCC1)c1ccccc1-c1nnn[n-]1 ZINC001588381452 1173056532 /nfs/dbraw/zinc/05/65/32/1173056532.db2.gz CTQJODIFVGKFLV-UHFFFAOYSA-N -1 3 270.340 1.980 20 30 CDEDHM C(=NNCC1CCCC1)c1ccccc1-c1nn[n-]n1 ZINC001588381452 1173056537 /nfs/dbraw/zinc/05/65/37/1173056537.db2.gz CTQJODIFVGKFLV-UHFFFAOYSA-N -1 3 270.340 1.980 20 30 CDEDHM C=C1CN(C(=O)Nc2scc(C)c2-c2nnn[n-]2)C1 ZINC001588462708 1173067672 /nfs/dbraw/zinc/06/76/72/1173067672.db2.gz OEQMZTATZOCCGQ-UHFFFAOYSA-N -1 3 276.325 1.640 20 30 CDEDHM C=C1CN(C(=O)Nc2scc(C)c2-c2nn[n-]n2)C1 ZINC001588462708 1173067677 /nfs/dbraw/zinc/06/76/77/1173067677.db2.gz OEQMZTATZOCCGQ-UHFFFAOYSA-N -1 3 276.325 1.640 20 30 CDEDHM C=C[C@H](C)ONC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588519294 1173073094 /nfs/dbraw/zinc/07/30/94/1173073094.db2.gz WYWPDCYJOURANF-ZETCQYMHSA-N -1 3 292.274 1.633 20 30 CDEDHM C=C[C@H](C)ONC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588519294 1173073099 /nfs/dbraw/zinc/07/30/99/1173073099.db2.gz WYWPDCYJOURANF-ZETCQYMHSA-N -1 3 292.274 1.633 20 30 CDEDHM C=CC1(OC(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC001588527567 1173073700 /nfs/dbraw/zinc/07/37/00/1173073700.db2.gz OXHRKNPPKKEHKE-UHFFFAOYSA-N -1 3 259.269 1.081 20 30 CDEDHM C=CC1(OC(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC001588527567 1173073712 /nfs/dbraw/zinc/07/37/12/1173073712.db2.gz OXHRKNPPKKEHKE-UHFFFAOYSA-N -1 3 259.269 1.081 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588727553 1173100382 /nfs/dbraw/zinc/10/03/82/1173100382.db2.gz CWQQNTYRGUIDNK-ZJUUUORDSA-N -1 3 292.730 1.671 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588727553 1173100386 /nfs/dbraw/zinc/10/03/86/1173100386.db2.gz CWQQNTYRGUIDNK-ZJUUUORDSA-N -1 3 292.730 1.671 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588726081 1173100499 /nfs/dbraw/zinc/10/04/99/1173100499.db2.gz SDUDFLNGHFEOHZ-JQWIXIFHSA-N -1 3 286.339 1.573 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588726081 1173100501 /nfs/dbraw/zinc/10/05/01/1173100501.db2.gz SDUDFLNGHFEOHZ-JQWIXIFHSA-N -1 3 286.339 1.573 20 30 CDEDHM CC(=NN[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588776553 1173105218 /nfs/dbraw/zinc/10/52/18/1173105218.db2.gz RZHIAYBVLDMOIP-SNVBAGLBSA-N -1 3 290.302 1.108 20 30 CDEDHM CC(=NN[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588776553 1173105221 /nfs/dbraw/zinc/10/52/21/1173105221.db2.gz RZHIAYBVLDMOIP-SNVBAGLBSA-N -1 3 290.302 1.108 20 30 CDEDHM C[C@H](C#N)CN(C)Cc1cc(-c2nn[n-]n2)ccc1N(C)C ZINC001588930919 1173115193 /nfs/dbraw/zinc/11/51/93/1173115193.db2.gz NGTNOZWGDWLECB-LLVKDONJSA-N -1 3 299.382 1.524 20 30 CDEDHM CC(C)(C#N)CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001589034383 1173120803 /nfs/dbraw/zinc/12/08/03/1173120803.db2.gz YQOGJTVAHRHDKH-UHFFFAOYSA-N -1 3 296.334 1.696 20 30 CDEDHM CC(C)(C#N)CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001589034383 1173120809 /nfs/dbraw/zinc/12/08/09/1173120809.db2.gz YQOGJTVAHRHDKH-UHFFFAOYSA-N -1 3 296.334 1.696 20 30 CDEDHM CC(C)(CC#N)CNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001589267389 1173131490 /nfs/dbraw/zinc/13/14/90/1173131490.db2.gz UPSAEPOSQHZIAT-UHFFFAOYSA-N -1 3 284.323 1.536 20 30 CDEDHM CC(C)(CC#N)CNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001589267389 1173131495 /nfs/dbraw/zinc/13/14/95/1173131495.db2.gz UPSAEPOSQHZIAT-UHFFFAOYSA-N -1 3 284.323 1.536 20 30 CDEDHM CC(C)OCCON=Cc1cc(-c2nnn[n-]2)cs1 ZINC001589749197 1173172787 /nfs/dbraw/zinc/17/27/87/1173172787.db2.gz QJPMVXDRHXLILZ-UHFFFAOYSA-N -1 3 281.341 1.704 20 30 CDEDHM CC(C)OCCON=Cc1cc(-c2nn[n-]n2)cs1 ZINC001589749197 1173172791 /nfs/dbraw/zinc/17/27/91/1173172791.db2.gz QJPMVXDRHXLILZ-UHFFFAOYSA-N -1 3 281.341 1.704 20 30 CDEDHM CC(C)Oc1ccc(NC(=O)CC#N)cc1-c1nnn[n-]1 ZINC001589755794 1173174397 /nfs/dbraw/zinc/17/43/97/1173174397.db2.gz OXUNBURUXGFWAN-UHFFFAOYSA-N -1 3 286.295 1.506 20 30 CDEDHM CC(C)Oc1ccc(NC(=O)CC#N)cc1-c1nn[n-]n1 ZINC001589755794 1173174399 /nfs/dbraw/zinc/17/43/99/1173174399.db2.gz OXUNBURUXGFWAN-UHFFFAOYSA-N -1 3 286.295 1.506 20 30 CDEDHM C[C@H](CC#N)C(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001589786605 1173178201 /nfs/dbraw/zinc/17/82/01/1173178201.db2.gz JJKKAGGAJAYDGS-SECBINFHSA-N -1 3 282.307 1.306 20 30 CDEDHM C[C@H](CC#N)C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001589786605 1173178204 /nfs/dbraw/zinc/17/82/04/1173178204.db2.gz JJKKAGGAJAYDGS-SECBINFHSA-N -1 3 282.307 1.306 20 30 CDEDHM C[C@H](CC#N)Nc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001589787203 1173181149 /nfs/dbraw/zinc/18/11/49/1173181149.db2.gz HPUQITWFNVNSBV-MRVPVSSYSA-N -1 3 280.295 1.524 20 30 CDEDHM C[C@H](CC#N)Nc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001589787203 1173181156 /nfs/dbraw/zinc/18/11/56/1173181156.db2.gz HPUQITWFNVNSBV-MRVPVSSYSA-N -1 3 280.295 1.524 20 30 CDEDHM C[C@H](CC#N)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001589787717 1173182588 /nfs/dbraw/zinc/18/25/88/1173182588.db2.gz QEZNCNCHMWIPPI-NXEZZACHSA-N -1 3 284.323 1.594 20 30 CDEDHM C[C@H](CC#N)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001589787717 1173182594 /nfs/dbraw/zinc/18/25/94/1173182594.db2.gz QEZNCNCHMWIPPI-NXEZZACHSA-N -1 3 284.323 1.594 20 30 CDEDHM C[C@@H](NC(=O)C#CC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589913298 1173204040 /nfs/dbraw/zinc/20/40/40/1173204040.db2.gz LFMIMYBNCRGYAJ-SNVBAGLBSA-N -1 3 281.319 1.457 20 30 CDEDHM C[C@@H](NC(=O)C#CC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589913298 1173204043 /nfs/dbraw/zinc/20/40/43/1173204043.db2.gz LFMIMYBNCRGYAJ-SNVBAGLBSA-N -1 3 281.319 1.457 20 30 CDEDHM C[C@H]1O[C@@H](C)CC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001590180744 1173280664 /nfs/dbraw/zinc/28/06/64/1173280664.db2.gz ITFZCQCZEFFCOY-VHSXEESVSA-N -1 3 286.339 1.510 20 30 CDEDHM C[C@H]1O[C@@H](C)CC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001590180744 1173280670 /nfs/dbraw/zinc/28/06/70/1173280670.db2.gz ITFZCQCZEFFCOY-VHSXEESVSA-N -1 3 286.339 1.510 20 30 CDEDHM CC1CC(C#N)(C(=O)OCc2ccncc2-c2nnn[n-]2)C1 ZINC001590179849 1173280909 /nfs/dbraw/zinc/28/09/09/1173280909.db2.gz IGGVJEKIJQHVFV-UHFFFAOYSA-N -1 3 298.306 1.245 20 30 CDEDHM CC1CC(C#N)(C(=O)OCc2ccncc2-c2nn[n-]n2)C1 ZINC001590179849 1173280914 /nfs/dbraw/zinc/28/09/14/1173280914.db2.gz IGGVJEKIJQHVFV-UHFFFAOYSA-N -1 3 298.306 1.245 20 30 CDEDHM CC[C@@H](C#N)OC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001590368028 1173378492 /nfs/dbraw/zinc/37/84/92/1173378492.db2.gz RVKMPMPTPDBOKS-QMMMGPOBSA-N -1 3 291.698 1.979 20 30 CDEDHM CC[C@@H](C#N)OC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001590368028 1173378499 /nfs/dbraw/zinc/37/84/99/1173378499.db2.gz RVKMPMPTPDBOKS-QMMMGPOBSA-N -1 3 291.698 1.979 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590371596 1173379793 /nfs/dbraw/zinc/37/97/93/1173379793.db2.gz FFQRTFTYSJLASZ-BMIGLBTASA-N -1 3 298.350 1.984 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590371596 1173379803 /nfs/dbraw/zinc/37/98/03/1173379803.db2.gz FFQRTFTYSJLASZ-BMIGLBTASA-N -1 3 298.350 1.984 20 30 CDEDHM CC[C@@H]1COCC1N=Nc1ccc(-c2nnn[n-]2)cn1 ZINC001590524332 1173450866 /nfs/dbraw/zinc/45/08/66/1173450866.db2.gz PPSJULCMVPJNIT-MRVPVSSYSA-N -1 3 273.300 1.086 20 30 CDEDHM CC[C@@H]1COCC1N=Nc1ccc(-c2nn[n-]n2)cn1 ZINC001590524332 1173450869 /nfs/dbraw/zinc/45/08/69/1173450869.db2.gz PPSJULCMVPJNIT-MRVPVSSYSA-N -1 3 273.300 1.086 20 30 CDEDHM CCN(C(=O)c1cccc(-c2nnn[n-]2)c1C)[C@H](C)C#N ZINC001590675504 1173486983 /nfs/dbraw/zinc/48/69/83/1173486983.db2.gz PHOZSGCPTQSLNT-SECBINFHSA-N -1 3 284.323 1.549 20 30 CDEDHM CCN(C(=O)c1cccc(-c2nn[n-]n2)c1C)[C@H](C)C#N ZINC001590675504 1173486987 /nfs/dbraw/zinc/48/69/87/1173486987.db2.gz PHOZSGCPTQSLNT-SECBINFHSA-N -1 3 284.323 1.549 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001590683126 1173490835 /nfs/dbraw/zinc/49/08/35/1173490835.db2.gz WEMCKMMONQSDFS-VIFPVBQESA-N -1 3 299.338 1.192 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001590683126 1173490838 /nfs/dbraw/zinc/49/08/38/1173490838.db2.gz WEMCKMMONQSDFS-VIFPVBQESA-N -1 3 299.338 1.192 20 30 CDEDHM COc1ccc(C=NNC23CC(C2)C3)cc1-c1nnn[n-]1 ZINC001591582299 1173671574 /nfs/dbraw/zinc/67/15/74/1173671574.db2.gz HGHFYOBVZBWCIR-UHFFFAOYSA-N -1 3 284.323 1.351 20 30 CDEDHM COc1ccc(C=NNC23CC(C2)C3)cc1-c1nn[n-]n1 ZINC001591582299 1173671576 /nfs/dbraw/zinc/67/15/76/1173671576.db2.gz HGHFYOBVZBWCIR-UHFFFAOYSA-N -1 3 284.323 1.351 20 30 CDEDHM Cc1c(C(=O)N(CC#N)C2CC2)cccc1-c1nnn[n-]1 ZINC001591801512 1173706362 /nfs/dbraw/zinc/70/63/62/1173706362.db2.gz KOGHYNHUXZOBNW-UHFFFAOYSA-N -1 3 282.307 1.303 20 30 CDEDHM Cc1c(C(=O)N(CC#N)C2CC2)cccc1-c1nn[n-]n1 ZINC001591801512 1173706366 /nfs/dbraw/zinc/70/63/66/1173706366.db2.gz KOGHYNHUXZOBNW-UHFFFAOYSA-N -1 3 282.307 1.303 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1CN1CC[C@](F)(C#N)C1 ZINC001591864552 1173729033 /nfs/dbraw/zinc/72/90/33/1173729033.db2.gz NDMZLJWPTRWWHB-AWEZNQCLSA-N -1 3 286.314 1.613 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1CN1CC[C@](F)(C#N)C1 ZINC001591864552 1173729038 /nfs/dbraw/zinc/72/90/38/1173729038.db2.gz NDMZLJWPTRWWHB-AWEZNQCLSA-N -1 3 286.314 1.613 20 30 CDEDHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)C#N)n1 ZINC001591944937 1173754183 /nfs/dbraw/zinc/75/41/83/1173754183.db2.gz ZGWTWAGDFWMDIJ-MRVPVSSYSA-N -1 3 260.326 1.883 20 30 CDEDHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)C#N)n1 ZINC001591944937 1173754189 /nfs/dbraw/zinc/75/41/89/1173754189.db2.gz ZGWTWAGDFWMDIJ-MRVPVSSYSA-N -1 3 260.326 1.883 20 30 CDEDHM Cc1cc(F)c(-c2nnn[n-]2)c(NC[C@H](C)C#N)c1 ZINC001591980007 1173764685 /nfs/dbraw/zinc/76/46/85/1173764685.db2.gz NEZKCOHMMJSSRT-MRVPVSSYSA-N -1 3 260.276 1.886 20 30 CDEDHM Cc1cc(F)c(-c2nn[n-]n2)c(NC[C@H](C)C#N)c1 ZINC001591980007 1173764690 /nfs/dbraw/zinc/76/46/90/1173764690.db2.gz NEZKCOHMMJSSRT-MRVPVSSYSA-N -1 3 260.276 1.886 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)nc1N1CCC(CC#N)CC1 ZINC001592110056 1173802800 /nfs/dbraw/zinc/80/28/00/1173802800.db2.gz IYLZVWDGUUJZQB-UHFFFAOYSA-N -1 3 283.339 1.700 20 30 CDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCC1(C#N)CCCC1 ZINC001592562024 1173921351 /nfs/dbraw/zinc/92/13/51/1173921351.db2.gz PKPZBIKSIRPNIT-UHFFFAOYSA-N -1 3 299.338 1.019 20 30 CDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCC1(C#N)CCCC1 ZINC001592562024 1173921355 /nfs/dbraw/zinc/92/13/55/1173921355.db2.gz PKPZBIKSIRPNIT-UHFFFAOYSA-N -1 3 299.338 1.019 20 30 CDEDHM N#C[C@H](C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001592664377 1173958327 /nfs/dbraw/zinc/95/83/27/1173958327.db2.gz BXEYHMXOFPDMKE-LBPRGKRZSA-N -1 3 290.286 1.752 20 30 CDEDHM N#CC1(COC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001592670044 1173960508 /nfs/dbraw/zinc/96/05/08/1173960508.db2.gz RFHHRHUPQYPWIA-UHFFFAOYSA-N -1 3 272.268 1.045 20 30 CDEDHM N#CC1(COC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001592670044 1173960514 /nfs/dbraw/zinc/96/05/14/1173960514.db2.gz RFHHRHUPQYPWIA-UHFFFAOYSA-N -1 3 272.268 1.045 20 30 CDEDHM N#CC1(CNCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001592669342 1173961486 /nfs/dbraw/zinc/96/14/86/1173961486.db2.gz GVDRNMLWMYOGCA-UHFFFAOYSA-N -1 3 254.297 1.260 20 30 CDEDHM N#CCC1(CNC(=O)c2cscc2-c2nnn[n-]2)CC1 ZINC001592675028 1173965174 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N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](C2CC2)C1 ZINC001592698376 1173974669 /nfs/dbraw/zinc/97/46/69/1173974669.db2.gz YVSDRMCQZZIUKR-GFCCVEGCSA-N -1 3 280.335 1.975 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](C2CC2)C1 ZINC001592698376 1173974675 /nfs/dbraw/zinc/97/46/75/1173974675.db2.gz YVSDRMCQZZIUKR-GFCCVEGCSA-N -1 3 280.335 1.975 20 30 CDEDHM N#C[C@@H]1CC[C@H](N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001601059781 1174720908 /nfs/dbraw/zinc/72/09/08/1174720908.db2.gz NDZQIGIPFPZIFT-WOPDTQHZSA-N -1 3 289.339 1.305 20 30 CDEDHM N#CCCOCCN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001601068007 1174726829 /nfs/dbraw/zinc/72/68/29/1174726829.db2.gz ALTAHOPUXWLERW-ZJUUUORDSA-N -1 3 294.273 1.502 20 30 CDEDHM C#C[C@H](CC)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602688369 1175352664 /nfs/dbraw/zinc/35/26/64/1175352664.db2.gz IRNQQPXVPPQCLX-MRVPVSSYSA-N -1 3 272.268 1.599 20 30 CDEDHM C#C[C@H](CC)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602688369 1175352670 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CCCCOCCn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001604189220 1163120626 /nfs/dbraw/zinc/12/06/26/1163120626.db2.gz USIRFCAHEBUYSA-UHFFFAOYSA-N -1 3 275.316 1.060 20 30 CDEDHM CCOc1ccccc1Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001604469251 1163193175 /nfs/dbraw/zinc/19/31/75/1163193175.db2.gz STGWRPQVKCHXRW-UHFFFAOYSA-N -1 3 295.306 1.382 20 30 CDEDHM N#CCC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001606345259 1163868781 /nfs/dbraw/zinc/86/87/81/1163868781.db2.gz AATUTXMPJUXNJX-UHFFFAOYSA-N -1 3 299.294 1.881 20 30 CDEDHM N#CCC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001606345259 1163868784 /nfs/dbraw/zinc/86/87/84/1163868784.db2.gz AATUTXMPJUXNJX-UHFFFAOYSA-N -1 3 299.294 1.881 20 30 CDEDHM N#CC1(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC001606342513 1163869623 /nfs/dbraw/zinc/86/96/23/1163869623.db2.gz AOHFQWUNNJUCQA-UHFFFAOYSA-N -1 3 295.350 1.856 20 30 CDEDHM N#CC1(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC001606342513 1163869628 /nfs/dbraw/zinc/86/96/28/1163869628.db2.gz AOHFQWUNNJUCQA-UHFFFAOYSA-N -1 3 295.350 1.856 20 30 CDEDHM N#Cc1cc(NC(=O)[C@@H]2CC23CC3)ccc1-c1nnn[n-]1 ZINC001606361389 1163879347 /nfs/dbraw/zinc/87/93/47/1163879347.db2.gz PNUWOXFIGYMXJU-NSHDSACASA-N -1 3 280.291 1.477 20 30 CDEDHM N#Cc1cc(NC(=O)[C@@H]2CC23CC3)ccc1-c1nn[n-]n1 ZINC001606361389 1163879350 /nfs/dbraw/zinc/87/93/50/1163879350.db2.gz PNUWOXFIGYMXJU-NSHDSACASA-N -1 3 280.291 1.477 20 30 CDEDHM N#CCNC(=O)C/N=C\c1cc(Cl)ccc1[O-] ZINC000794676897 1164535490 /nfs/dbraw/zinc/53/54/90/1164535490.db2.gz RCQBMNBKXLFXNW-NSIKDUERSA-N -1 3 251.673 1.104 20 30 CDEDHM C#C[C@@H](CC)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609019485 1164725101 /nfs/dbraw/zinc/72/51/01/1164725101.db2.gz VEXBCYPNDULXFI-JTQLQIEISA-N -1 3 270.296 1.400 20 30 CDEDHM C#C[C@@H](CC)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609019485 1164725110 /nfs/dbraw/zinc/72/51/10/1164725110.db2.gz VEXBCYPNDULXFI-JTQLQIEISA-N -1 3 270.296 1.400 20 30 CDEDHM C#C[C@@H](CC)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609018716 1164726519 /nfs/dbraw/zinc/72/65/19/1164726519.db2.gz DMQPPWWMVQQRFP-VMPCVLLUSA-N -1 3 281.319 1.408 20 30 CDEDHM C#C[C@@H](CC)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609018716 1164726523 /nfs/dbraw/zinc/72/65/23/1164726523.db2.gz DMQPPWWMVQQRFP-VMPCVLLUSA-N -1 3 281.319 1.408 20 30 CDEDHM CC(C)(C)OCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609079634 1164760546 /nfs/dbraw/zinc/76/05/46/1164760546.db2.gz JQWSRUDUNPIKFO-UHFFFAOYSA-N -1 3 286.339 1.965 20 30 CDEDHM CC(C)(C)OCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609079634 1164760551 /nfs/dbraw/zinc/76/05/51/1164760551.db2.gz JQWSRUDUNPIKFO-UHFFFAOYSA-N -1 3 286.339 1.965 20 30 CDEDHM C=C[C@@H](N[C@H](Cc1nc(C)no1)c1ccccc1)C(=O)[O-] ZINC001609267294 1164873675 /nfs/dbraw/zinc/87/36/75/1164873675.db2.gz PZBYKJPXSBSZRU-CHWSQXEVSA-N -1 3 287.319 1.891 20 30 CDEDHM FC1(F)CC1=CNNCc1ccc(-c2nnn[n-]2)cc1 ZINC001609486654 1164970616 /nfs/dbraw/zinc/97/06/16/1164970616.db2.gz SVWKMVQVPLMPJC-SNVBAGLBSA-N -1 3 278.266 1.597 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1cccc(F)n1 ZINC001609499691 1164979034 /nfs/dbraw/zinc/97/90/34/1164979034.db2.gz FDCCYSAZUKAEJJ-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1cccc(F)n1 ZINC001609499691 1164979041 /nfs/dbraw/zinc/97/90/41/1164979041.db2.gz FDCCYSAZUKAEJJ-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1cc(C#N)ncn1 ZINC001579242961 1172125381 /nfs/dbraw/zinc/12/53/81/1172125381.db2.gz LKGSZTGSLLGUJW-UHFFFAOYSA-N -1 3 298.335 1.226 20 30 CDEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1cc(C#N)ncn1 ZINC001579242961 1172125385 /nfs/dbraw/zinc/12/53/85/1172125385.db2.gz LKGSZTGSLLGUJW-UHFFFAOYSA-N -1 3 298.335 1.226 20 30 CDEDHM Cc1[nH]nc(NCc2csc(-c3nnn[n-]3)c2)c1C#N ZINC001581403332 1172607659 /nfs/dbraw/zinc/60/76/59/1172607659.db2.gz JIXLCXAHKQNDEK-UHFFFAOYSA-N -1 3 286.324 1.444 20 30 CDEDHM C#C[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588325734 1172628076 /nfs/dbraw/zinc/62/80/76/1172628076.db2.gz UGIOZTSZJJQJLP-SECBINFHSA-N -1 3 286.295 1.228 20 30 CDEDHM C#C[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588325734 1172628084 /nfs/dbraw/zinc/62/80/84/1172628084.db2.gz UGIOZTSZJJQJLP-SECBINFHSA-N -1 3 286.295 1.228 20 30 CDEDHM C#C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001588328240 1173032018 /nfs/dbraw/zinc/03/20/18/1173032018.db2.gz BOSADLUFRXCEMS-ZYHUDNBSSA-N -1 3 287.298 1.599 20 30 CDEDHM C#C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001588328240 1173032025 /nfs/dbraw/zinc/03/20/25/1173032025.db2.gz BOSADLUFRXCEMS-ZYHUDNBSSA-N -1 3 287.298 1.599 20 30 CDEDHM C#C[C@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588330296 1173033012 /nfs/dbraw/zinc/03/30/12/1173033012.db2.gz YSSYXLYBQZPECG-LBPRGKRZSA-N -1 3 298.350 1.348 20 30 CDEDHM C#C[C@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588330296 1173033017 /nfs/dbraw/zinc/03/30/17/1173033017.db2.gz YSSYXLYBQZPECG-LBPRGKRZSA-N -1 3 298.350 1.348 20 30 CDEDHM C#C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC001588331810 1173033517 /nfs/dbraw/zinc/03/35/17/1173033517.db2.gz DDXIDAVNFOWTDH-SECBINFHSA-N -1 3 288.742 1.765 20 30 CDEDHM C#C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC001588331810 1173033519 /nfs/dbraw/zinc/03/35/19/1173033519.db2.gz DDXIDAVNFOWTDH-SECBINFHSA-N -1 3 288.742 1.765 20 30 CDEDHM C#CCC[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588336928 1173038243 /nfs/dbraw/zinc/03/82/43/1173038243.db2.gz HFJBJLJBXIUARX-SNVBAGLBSA-N -1 3 270.292 1.825 20 30 CDEDHM C#CCC[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588336928 1173038250 /nfs/dbraw/zinc/03/82/50/1173038250.db2.gz HFJBJLJBXIUARX-SNVBAGLBSA-N -1 3 270.292 1.825 20 30 CDEDHM C#CCCCCCC(=O)N(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588344301 1173042518 /nfs/dbraw/zinc/04/25/18/1173042518.db2.gz LEORJBURONJQHF-UHFFFAOYSA-N -1 3 298.350 1.808 20 30 CDEDHM C#CCCCCCC(=O)N(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001588344301 1173042528 /nfs/dbraw/zinc/04/25/28/1173042528.db2.gz LEORJBURONJQHF-UHFFFAOYSA-N -1 3 298.350 1.808 20 30 CDEDHM C#CCCCOC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588345817 1173042637 /nfs/dbraw/zinc/04/26/37/1173042637.db2.gz RZFNOLKDINWUHR-UONOGXRCSA-N -1 3 296.330 1.927 20 30 CDEDHM C#CCCCOC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588345817 1173042646 /nfs/dbraw/zinc/04/26/46/1173042646.db2.gz RZFNOLKDINWUHR-UONOGXRCSA-N -1 3 296.330 1.927 20 30 CDEDHM C#CCN(C(=O)c1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC001588348841 1173046510 /nfs/dbraw/zinc/04/65/10/1173046510.db2.gz QCFHNMNKRWJBEE-UHFFFAOYSA-N -1 3 283.335 1.659 20 30 CDEDHM C#CCN(C(=O)c1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC001588348841 1173046516 /nfs/dbraw/zinc/04/65/16/1173046516.db2.gz QCFHNMNKRWJBEE-UHFFFAOYSA-N -1 3 283.335 1.659 20 30 CDEDHM C#CCN(C(=O)c1cscc1-c1nnn[n-]1)C(C)(C)C ZINC001588348845 1173046743 /nfs/dbraw/zinc/04/67/43/1173046743.db2.gz QIMJISALZXTHFT-UHFFFAOYSA-N -1 3 289.364 1.802 20 30 CDEDHM C#CCN(C(=O)c1cscc1-c1nn[n-]n1)C(C)(C)C ZINC001588348845 1173046750 /nfs/dbraw/zinc/04/67/50/1173046750.db2.gz QIMJISALZXTHFT-UHFFFAOYSA-N -1 3 289.364 1.802 20 30 CDEDHM C#CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588349305 1173047630 /nfs/dbraw/zinc/04/76/30/1173047630.db2.gz MBLLIFIQIBGLMN-QWHCGFSZSA-N -1 3 281.319 1.062 20 30 CDEDHM C#CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588349305 1173047639 /nfs/dbraw/zinc/04/76/39/1173047639.db2.gz MBLLIFIQIBGLMN-QWHCGFSZSA-N -1 3 281.319 1.062 20 30 CDEDHM C#C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)n2C)CC1 ZINC001588365034 1173053905 /nfs/dbraw/zinc/05/39/05/1173053905.db2.gz MRAHBHFUUNXWMY-XYPYZODXSA-N -1 3 298.350 1.127 20 30 CDEDHM C#C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)n2C)CC1 ZINC001588365034 1173053910 /nfs/dbraw/zinc/05/39/10/1173053910.db2.gz MRAHBHFUUNXWMY-XYPYZODXSA-N -1 3 298.350 1.127 20 30 CDEDHM C=C(COc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)OCC ZINC001588449332 1173064854 /nfs/dbraw/zinc/06/48/54/1173064854.db2.gz MEKMGOYZJIMALC-UHFFFAOYSA-N -1 3 292.270 1.504 20 30 CDEDHM C=C(COc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)OCC ZINC001588449332 1173064861 /nfs/dbraw/zinc/06/48/61/1173064861.db2.gz MEKMGOYZJIMALC-UHFFFAOYSA-N -1 3 292.270 1.504 20 30 CDEDHM C=C[C@@H](C)ONC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588518543 1173073230 /nfs/dbraw/zinc/07/32/30/1173073230.db2.gz FYTMETBNANLBAU-JIMOISOXSA-N -1 3 299.334 1.593 20 30 CDEDHM C=CCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001588557392 1173079467 /nfs/dbraw/zinc/07/94/67/1173079467.db2.gz OSWJJTHZYVRNNF-UHFFFAOYSA-N -1 3 286.339 1.814 20 30 CDEDHM C=CCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001588557392 1173079477 /nfs/dbraw/zinc/07/94/77/1173079477.db2.gz OSWJJTHZYVRNNF-UHFFFAOYSA-N -1 3 286.339 1.814 20 30 CDEDHM C=CCC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1C ZINC001588580145 1173085129 /nfs/dbraw/zinc/08/51/29/1173085129.db2.gz ZQZRGSVLFATAGX-GFCCVEGCSA-N -1 3 273.340 1.914 20 30 CDEDHM C=CCN(CC=C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588631780 1173093009 /nfs/dbraw/zinc/09/30/09/1173093009.db2.gz MBVPZHOTJJQCBD-UHFFFAOYSA-N -1 3 285.311 1.468 20 30 CDEDHM C=CCN(CC=C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588631780 1173093017 /nfs/dbraw/zinc/09/30/17/1173093017.db2.gz MBVPZHOTJJQCBD-UHFFFAOYSA-N -1 3 285.311 1.468 20 30 CDEDHM C=CCNC(=O)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588658739 1173095736 /nfs/dbraw/zinc/09/57/36/1173095736.db2.gz RNMYDQBWESAEGA-UHFFFAOYSA-N -1 3 292.730 1.234 20 30 CDEDHM C=CCNC(=O)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588658739 1173095744 /nfs/dbraw/zinc/09/57/44/1173095744.db2.gz RNMYDQBWESAEGA-UHFFFAOYSA-N -1 3 292.730 1.234 20 30 CDEDHM C=CCOCCNc1snc(C)c1-c1nnn[n-]1 ZINC001588683415 1173096178 /nfs/dbraw/zinc/09/61/78/1173096178.db2.gz RWFKRDXWXZLPCB-UHFFFAOYSA-N -1 3 266.330 1.246 20 30 CDEDHM C=CCOCCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001588683568 1173100259 /nfs/dbraw/zinc/10/02/59/1173100259.db2.gz YTYLYVMGVGRGIV-UHFFFAOYSA-N -1 3 278.291 1.405 20 30 CDEDHM C=CCOCCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001588683568 1173100264 /nfs/dbraw/zinc/10/02/64/1173100264.db2.gz YTYLYVMGVGRGIV-UHFFFAOYSA-N -1 3 278.291 1.405 20 30 CDEDHM C[C@H](C#N)CN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588931217 1173114459 /nfs/dbraw/zinc/11/44/59/1173114459.db2.gz UXTJGMFNAFOGRP-MRVPVSSYSA-N -1 3 287.283 1.371 20 30 CDEDHM C[C@H](C#N)CN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588931217 1173114465 /nfs/dbraw/zinc/11/44/65/1173114465.db2.gz UXTJGMFNAFOGRP-MRVPVSSYSA-N -1 3 287.283 1.371 20 30 CDEDHM C[C@H](C#N)OCCN1CCc2c1cccc2-c1nnn[n-]1 ZINC001588934457 1173114764 /nfs/dbraw/zinc/11/47/64/1173114764.db2.gz MSTWYWMKMMQYGP-SNVBAGLBSA-N -1 3 284.323 1.158 20 30 CDEDHM C[C@H](C#N)OCCN1CCc2c1cccc2-c1nn[n-]n1 ZINC001588934457 1173114769 /nfs/dbraw/zinc/11/47/69/1173114769.db2.gz MSTWYWMKMMQYGP-SNVBAGLBSA-N -1 3 284.323 1.158 20 30 CDEDHM C[C@H](C#N)N(CCOc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001588934588 1173116796 /nfs/dbraw/zinc/11/67/96/1173116796.db2.gz PZALHQCGPAUXFT-LLVKDONJSA-N -1 3 298.350 1.622 20 30 CDEDHM C[C@H](C#N)N(CCOc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001588934588 1173116800 /nfs/dbraw/zinc/11/68/00/1173116800.db2.gz PZALHQCGPAUXFT-LLVKDONJSA-N -1 3 298.350 1.622 20 30 CDEDHM C[C@H](Nc1nnccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589989037 1173225209 /nfs/dbraw/zinc/22/52/09/1173225209.db2.gz FBAYDRLBYUHABZ-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@H](Nc1nnccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589989037 1173225213 /nfs/dbraw/zinc/22/52/13/1173225213.db2.gz FBAYDRLBYUHABZ-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@H](Nc1nnccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001589988559 1173225928 /nfs/dbraw/zinc/22/59/28/1173225928.db2.gz AHXVJGBRFAPLNH-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@H](Nc1nnccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001589988559 1173225932 /nfs/dbraw/zinc/22/59/32/1173225932.db2.gz AHXVJGBRFAPLNH-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@]1(C#N)CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590054468 1173241655 /nfs/dbraw/zinc/24/16/55/1173241655.db2.gz KMTIWXWFMRQSJN-OAHLLOKOSA-N -1 3 296.334 1.171 20 30 CDEDHM C[C@]1(C#N)CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590054468 1173241658 /nfs/dbraw/zinc/24/16/58/1173241658.db2.gz KMTIWXWFMRQSJN-OAHLLOKOSA-N -1 3 296.334 1.171 20 30 CDEDHM C[C@@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC001590180144 1173281967 /nfs/dbraw/zinc/28/19/67/1173281967.db2.gz DIUUETFOCOARRQ-ZJUUUORDSA-N -1 3 270.340 1.988 20 30 CDEDHM C[C@@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC001590180144 1173281976 /nfs/dbraw/zinc/28/19/76/1173281976.db2.gz DIUUETFOCOARRQ-ZJUUUORDSA-N -1 3 270.340 1.988 20 30 CDEDHM CCC(N=Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCOC1 ZINC001590359216 1173374576 /nfs/dbraw/zinc/37/45/76/1173374576.db2.gz UIQBCUVRUQZELT-SNVBAGLBSA-N -1 3 287.327 1.476 20 30 CDEDHM CCC(N=Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCOC1 ZINC001590359216 1173374583 /nfs/dbraw/zinc/37/45/83/1173374583.db2.gz UIQBCUVRUQZELT-SNVBAGLBSA-N -1 3 287.327 1.476 20 30 CDEDHM CC[C@H](C#N)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001590367827 1173377914 /nfs/dbraw/zinc/37/79/14/1173377914.db2.gz ZNBWPCGBACJGNA-SECBINFHSA-N -1 3 282.307 1.306 20 30 CDEDHM CC[C@H](C#N)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001590367827 1173377919 /nfs/dbraw/zinc/37/79/19/1173377919.db2.gz ZNBWPCGBACJGNA-SECBINFHSA-N -1 3 282.307 1.306 20 30 CDEDHM CO[C@@H](C)CN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591323031 1173609576 /nfs/dbraw/zinc/60/95/76/1173609576.db2.gz KXLAWWMRPFIMMW-VIFPVBQESA-N -1 3 272.312 1.209 20 30 CDEDHM CO[C@@H](C)CN(C)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591323031 1173609580 /nfs/dbraw/zinc/60/95/80/1173609580.db2.gz KXLAWWMRPFIMMW-VIFPVBQESA-N -1 3 272.312 1.209 20 30 CDEDHM COc1cc(C(=O)OC[C@H](C)C#N)ccc1-c1nnn[n-]1 ZINC001591518295 1173663149 /nfs/dbraw/zinc/66/31/49/1173663149.db2.gz WLOJKHLKBAQNHX-MRVPVSSYSA-N -1 3 287.279 1.192 20 30 CDEDHM COc1cc(C(=O)OC[C@H](C)C#N)ccc1-c1nn[n-]n1 ZINC001591518295 1173663151 /nfs/dbraw/zinc/66/31/51/1173663151.db2.gz WLOJKHLKBAQNHX-MRVPVSSYSA-N -1 3 287.279 1.192 20 30 CDEDHM COc1ccc(Cn2cnc(C#N)c2-c2nnn[n-]2)cc1C ZINC001591605862 1173672878 /nfs/dbraw/zinc/67/28/78/1173672878.db2.gz QAKKEQALIOGQPY-UHFFFAOYSA-N -1 3 295.306 1.300 20 30 CDEDHM Cc1nnc(N2CCC[C@@H](C#N)C2)c(-c2nnn[n-]2)c1C ZINC001592447774 1173890893 /nfs/dbraw/zinc/89/08/93/1173890893.db2.gz CJUSVYKTNBSMQB-JTQLQIEISA-N -1 3 284.327 1.014 20 30 CDEDHM Cc1nnc(N2CCC[C@@H](C#N)C2)c(-c2nn[n-]n2)c1C ZINC001592447774 1173890898 /nfs/dbraw/zinc/89/08/98/1173890898.db2.gz CJUSVYKTNBSMQB-JTQLQIEISA-N -1 3 284.327 1.014 20 30 CDEDHM N#CCC1(COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001592674796 1173965975 /nfs/dbraw/zinc/96/59/75/1173965975.db2.gz HOPNQXYNKWEXQY-UHFFFAOYSA-N -1 3 272.268 1.045 20 30 CDEDHM N#CCC1(COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001592674796 1173965980 /nfs/dbraw/zinc/96/59/80/1173965980.db2.gz HOPNQXYNKWEXQY-UHFFFAOYSA-N -1 3 272.268 1.045 20 30 CDEDHM N#Cc1ccc(CN2CCc3ccc(-c4nnn[n-]4)cc32)o1 ZINC001592692934 1173971125 /nfs/dbraw/zinc/97/11/25/1173971125.db2.gz PZXFDXQAQYJBNN-UHFFFAOYSA-N -1 3 292.302 1.894 20 30 CDEDHM N#Cc1ccc(CN2CCc3ccc(-c4nn[n-]n4)cc32)o1 ZINC001592692934 1173971128 /nfs/dbraw/zinc/97/11/28/1173971128.db2.gz PZXFDXQAQYJBNN-UHFFFAOYSA-N -1 3 292.302 1.894 20 30 CDEDHM N#Cc1cc(F)cc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001592689420 1173971356 /nfs/dbraw/zinc/97/13/56/1173971356.db2.gz BMBJFZJISFQMTJ-UHFFFAOYSA-N -1 3 297.253 1.458 20 30 CDEDHM N#Cc1cc(F)cc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001592689420 1173971366 /nfs/dbraw/zinc/97/13/66/1173971366.db2.gz BMBJFZJISFQMTJ-UHFFFAOYSA-N -1 3 297.253 1.458 20 30 CDEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1cnccn1 ZINC001592795058 1173990849 /nfs/dbraw/zinc/99/08/49/1173990849.db2.gz WLFQETCXKVVQBN-SNAWJCMRSA-N -1 3 296.265 1.692 20 30 CDEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1cnccn1 ZINC001592795058 1173990852 /nfs/dbraw/zinc/99/08/52/1173990852.db2.gz WLFQETCXKVVQBN-SNAWJCMRSA-N -1 3 296.265 1.692 20 30 CDEDHM Cc1cc(C#N)cc(C)c1CN1CCN(CC(=O)[O-])CC1 ZINC001600074542 1174352936 /nfs/dbraw/zinc/35/29/36/1174352936.db2.gz JAWHEILXBHGUHI-UHFFFAOYSA-N -1 3 287.363 1.377 20 30 CDEDHM Cn1cc(C(C)(C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC001600938979 1174670995 /nfs/dbraw/zinc/67/09/95/1174670995.db2.gz LUWCLSONUCDEQI-AWEZNQCLSA-N -1 3 298.346 1.942 20 30 CDEDHM C#C[C@H](C)NC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001602690431 1175354275 /nfs/dbraw/zinc/35/42/75/1175354275.db2.gz VPUCGWLXMNRWEV-NSHDSACASA-N -1 3 298.350 1.072 20 30 CDEDHM C#C[C@H](C)NC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001602690431 1175354278 /nfs/dbraw/zinc/35/42/78/1175354278.db2.gz VPUCGWLXMNRWEV-NSHDSACASA-N -1 3 298.350 1.072 20 30 CDEDHM C#C[C@H]1CCCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001602696951 1175361682 /nfs/dbraw/zinc/36/16/82/1175361682.db2.gz PHLXMBUZOBQDSQ-VIFPVBQESA-N -1 3 289.289 1.995 20 30 CDEDHM C#C[C@H]1CCCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001602696951 1175361687 /nfs/dbraw/zinc/36/16/87/1175361687.db2.gz PHLXMBUZOBQDSQ-VIFPVBQESA-N -1 3 289.289 1.995 20 30 CDEDHM C#CCC(CC#C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001602697252 1175363163 /nfs/dbraw/zinc/36/31/63/1175363163.db2.gz KZPWSCQVJZVDAY-UHFFFAOYSA-N -1 3 293.330 1.146 20 30 CDEDHM C#CCC(CC#C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001602697252 1175363169 /nfs/dbraw/zinc/36/31/69/1175363169.db2.gz KZPWSCQVJZVDAY-UHFFFAOYSA-N -1 3 293.330 1.146 20 30 CDEDHM C(=NO[C@H]1CCCCO1)c1csc(-c2nnn[n-]2)c1 ZINC001602746028 1175381760 /nfs/dbraw/zinc/38/17/60/1175381760.db2.gz CKEPTKYWMIEDQB-JTQLQIEISA-N -1 3 279.325 1.805 20 30 CDEDHM C=C[C@@H](C)NC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001602797532 1175403884 /nfs/dbraw/zinc/40/38/84/1175403884.db2.gz GUIZHFPMHOQVLB-SNVBAGLBSA-N -1 3 271.324 1.788 20 30 CDEDHM C=C[C@@H](C)NC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001602797532 1175403888 /nfs/dbraw/zinc/40/38/88/1175403888.db2.gz GUIZHFPMHOQVLB-SNVBAGLBSA-N -1 3 271.324 1.788 20 30 CDEDHM C=CCCC[C@H](N)C(=O)N[C@](C)(CCC)C(=O)[O-] ZINC001602862372 1175438451 /nfs/dbraw/zinc/43/84/51/1175438451.db2.gz DFNSSAWIIVWQSR-GXFFZTMASA-N -1 3 256.346 1.430 20 30 CDEDHM C=CCOCC(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1 ZINC001602871951 1175441333 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C[C@H](Nc1ccnc(C#N)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603685951 1175597296 /nfs/dbraw/zinc/59/72/96/1175597296.db2.gz HJAAVAPLCRGZGR-VIFPVBQESA-N -1 3 292.306 1.123 20 30 CDEDHM C[C@H](Nc1ccnc(C#N)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603685951 1175597302 /nfs/dbraw/zinc/59/73/02/1175597302.db2.gz HJAAVAPLCRGZGR-VIFPVBQESA-N -1 3 292.306 1.123 20 30 CDEDHM CC[C@H](C#N)N(CC)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603978023 1175704526 /nfs/dbraw/zinc/70/45/26/1175704526.db2.gz PFGPSEDSMGPSTN-CYBMUJFWSA-N -1 3 298.350 1.560 20 30 CDEDHM CC[C@H](C#N)N(CC)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603978023 1175704532 /nfs/dbraw/zinc/70/45/32/1175704532.db2.gz PFGPSEDSMGPSTN-CYBMUJFWSA-N -1 3 298.350 1.560 20 30 CDEDHM CC[C@@H](CC#N)Nc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC001604013155 1175718581 /nfs/dbraw/zinc/71/85/81/1175718581.db2.gz CNMGERHYMQYFQP-VIFPVBQESA-N -1 3 272.316 1.378 20 30 CDEDHM CC[C@@H](CC#N)Nc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC001604013155 1175718584 /nfs/dbraw/zinc/71/85/84/1175718584.db2.gz CNMGERHYMQYFQP-VIFPVBQESA-N -1 3 272.316 1.378 20 30 CDEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC=C(Cl)Cl ZINC000407209168 1186616093 /nfs/dbraw/zinc/61/60/93/1186616093.db2.gz CEKMETJMTJKCLN-UHFFFAOYSA-N -1 3 292.147 1.551 20 30 CDEDHM COc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000866107941 1164735969 /nfs/dbraw/zinc/73/59/69/1164735969.db2.gz KDACVTPNXWWIEW-NSHDSACASA-N -1 3 279.296 1.197 20 30 CDEDHM C=CCO[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001609058691 1164751814 /nfs/dbraw/zinc/75/18/14/1164751814.db2.gz OMFTYPMUFOFFKA-LLVKDONJSA-N -1 3 272.312 1.043 20 30 CDEDHM C=CCO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001609058691 1164751820 /nfs/dbraw/zinc/75/18/20/1164751820.db2.gz OMFTYPMUFOFFKA-LLVKDONJSA-N -1 3 272.312 1.043 20 30 CDEDHM C[C@H]1C[C@@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609159658 1164804355 /nfs/dbraw/zinc/80/43/55/1164804355.db2.gz RFPAVTKMXGXOGP-WCBMZHEXSA-N -1 3 254.297 1.806 20 30 CDEDHM C[C@H]1C[C@@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609159658 1164804364 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BHNUPLQPCQHFRB-UHFFFAOYSA-N -1 3 288.286 1.493 20 30 CDEDHM CC#CCCCCOC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001588746473 1173101919 /nfs/dbraw/zinc/10/19/19/1173101919.db2.gz SBFSGQFHDOANIO-UHFFFAOYSA-N -1 3 287.323 1.854 20 30 CDEDHM CC#CCCCCOC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001588746473 1173101923 /nfs/dbraw/zinc/10/19/23/1173101923.db2.gz SBFSGQFHDOANIO-UHFFFAOYSA-N -1 3 287.323 1.854 20 30 CDEDHM CC#CCCCCOC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588746230 1173102122 /nfs/dbraw/zinc/10/21/22/1173102122.db2.gz OLOGHJIGTLHDGD-UHFFFAOYSA-N -1 3 299.334 1.921 20 30 CDEDHM CC#CCCCCOC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588746230 1173102129 /nfs/dbraw/zinc/10/21/29/1173102129.db2.gz OLOGHJIGTLHDGD-UHFFFAOYSA-N -1 3 299.334 1.921 20 30 CDEDHM CC(C)(C#N)c1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001589035989 1173119728 /nfs/dbraw/zinc/11/97/28/1173119728.db2.gz HFJWKGKJYAAFHA-UHFFFAOYSA-N -1 3 281.279 1.718 20 30 CDEDHM CC(C)(C#N)c1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001589035989 1173119730 /nfs/dbraw/zinc/11/97/30/1173119730.db2.gz HFJWKGKJYAAFHA-UHFFFAOYSA-N -1 3 281.279 1.718 20 30 CDEDHM C[C@@H](C[C@@H]1CCOC1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589801347 1173185406 /nfs/dbraw/zinc/18/54/06/1173185406.db2.gz BTLRLGIXJYMZLL-QWRGUYRKSA-N -1 3 298.350 1.965 20 30 CDEDHM C[C@@H](C[C@@H]1CCOC1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589801347 1173185408 /nfs/dbraw/zinc/18/54/08/1173185408.db2.gz BTLRLGIXJYMZLL-QWRGUYRKSA-N -1 3 298.350 1.965 20 30 CDEDHM C[C@H](Nc1c(C#N)cccc1-c1nnn[n-]1)c1nccn1C ZINC001589978425 1173219177 /nfs/dbraw/zinc/21/91/77/1173219177.db2.gz QWUFUABSTXHDBI-VIFPVBQESA-N -1 3 294.322 1.645 20 30 CDEDHM C[C@H](Nc1c(C#N)cccc1-c1nn[n-]n1)c1nccn1C ZINC001589978425 1173219178 /nfs/dbraw/zinc/21/91/78/1173219178.db2.gz QWUFUABSTXHDBI-VIFPVBQESA-N -1 3 294.322 1.645 20 30 CDEDHM CC1(C#N)CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590056237 1173243343 /nfs/dbraw/zinc/24/33/43/1173243343.db2.gz CFQKXBQGWDFKCL-UHFFFAOYSA-N -1 3 296.334 1.171 20 30 CDEDHM CC1(C#N)CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590056237 1173243347 /nfs/dbraw/zinc/24/33/47/1173243347.db2.gz CFQKXBQGWDFKCL-UHFFFAOYSA-N -1 3 296.334 1.171 20 30 CDEDHM CC1(CNc2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001590134077 1173267488 /nfs/dbraw/zinc/26/74/88/1173267488.db2.gz MWKATNRDKOYMDI-UHFFFAOYSA-N -1 3 254.297 1.950 20 30 CDEDHM CC1(CNc2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001590134077 1173267490 /nfs/dbraw/zinc/26/74/90/1173267490.db2.gz MWKATNRDKOYMDI-UHFFFAOYSA-N -1 3 254.297 1.950 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001590371516 1173379621 /nfs/dbraw/zinc/37/96/21/1173379621.db2.gz CBYJVIGXFGRYCF-HNNXBMFYSA-N -1 3 298.350 1.906 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001590371516 1173379625 /nfs/dbraw/zinc/37/96/25/1173379625.db2.gz CBYJVIGXFGRYCF-HNNXBMFYSA-N -1 3 298.350 1.906 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001590419500 1173403894 /nfs/dbraw/zinc/40/38/94/1173403894.db2.gz 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Cc1ccc(C(=O)NC2(C#N)CCCC2)cc1-c1nn[n-]n1 ZINC001592123427 1173807681 /nfs/dbraw/zinc/80/76/81/1173807681.db2.gz YLGHFAPAYNNRFH-UHFFFAOYSA-N -1 3 296.334 1.741 20 30 CDEDHM Cc1ccc(C(=O)Nc2n[nH]cc2C#N)cc1-c1nnn[n-]1 ZINC001592129637 1173810097 /nfs/dbraw/zinc/81/00/97/1173810097.db2.gz QNEFESSUFYUUNQ-UHFFFAOYSA-N -1 3 294.278 1.022 20 30 CDEDHM Cc1ccc(C(=O)Nc2n[nH]cc2C#N)cc1-c1nn[n-]n1 ZINC001592129637 1173810104 /nfs/dbraw/zinc/81/01/04/1173810104.db2.gz QNEFESSUFYUUNQ-UHFFFAOYSA-N -1 3 294.278 1.022 20 30 CDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C#N)C(C)(C)C ZINC001592562408 1173922726 /nfs/dbraw/zinc/92/27/26/1173922726.db2.gz CNIOZJKSFQTSBR-JTQLQIEISA-N -1 3 288.311 1.300 20 30 CDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C#N)C(C)(C)C ZINC001592562408 1173922728 /nfs/dbraw/zinc/92/27/28/1173922728.db2.gz CNIOZJKSFQTSBR-JTQLQIEISA-N -1 3 288.311 1.300 20 30 CDEDHM Cn1cncc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592590126 1173923445 /nfs/dbraw/zinc/92/34/45/1173923445.db2.gz 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C=C(CC)C(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602769780 1175393700 /nfs/dbraw/zinc/39/37/00/1175393700.db2.gz LAYPTFXIMBCVER-UHFFFAOYSA-N -1 3 287.323 1.458 20 30 CDEDHM C=C[C@H](CC)CC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC001602802905 1175405875 /nfs/dbraw/zinc/40/58/75/1175405875.db2.gz CVYCINSJKJNUPM-SECBINFHSA-N -1 3 272.312 1.224 20 30 CDEDHM C=C[C@H](CC)CC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC001602802905 1175405878 /nfs/dbraw/zinc/40/58/78/1175405878.db2.gz CVYCINSJKJNUPM-SECBINFHSA-N -1 3 272.312 1.224 20 30 CDEDHM C=CCCN(C)C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602840181 1175428540 /nfs/dbraw/zinc/42/85/40/1175428540.db2.gz QPLNVKAFRUDTCT-UHFFFAOYSA-N -1 3 297.362 1.933 20 30 CDEDHM C=CCCN(C)C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602840181 1175428543 /nfs/dbraw/zinc/42/85/43/1175428543.db2.gz QPLNVKAFRUDTCT-UHFFFAOYSA-N -1 3 297.362 1.933 20 30 CDEDHM C=CCN(CCOC)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001602852357 1175435727 /nfs/dbraw/zinc/43/57/27/1175435727.db2.gz PPNQMXDZWCZSHS-UHFFFAOYSA-N -1 3 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ZINC001143199099 937134544 /nfs/dbraw/zinc/13/45/44/937134544.db2.gz YQZMGIDJZOXLFT-JTQLQIEISA-N -1 3 295.339 1.332 20 30 CDEDHM CCC(C#N)(CC)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000860954612 929225315 /nfs/dbraw/zinc/22/53/15/929225315.db2.gz BLJFLMQBJZEXNM-UHFFFAOYSA-N -1 3 289.261 1.770 20 30 CDEDHM C#CC1CCN(C(=O)c2cccc3c2[N-]C(=O)C3=O)CC1 ZINC001152452336 937363594 /nfs/dbraw/zinc/36/35/94/937363594.db2.gz BLQSQWGJKTXIOK-UHFFFAOYSA-N -1 3 282.299 1.307 20 30 CDEDHM C[C@@H](Sc1ccccn1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816754375 930355682 /nfs/dbraw/zinc/35/56/82/930355682.db2.gz CCGTVVZYGHZEJP-ZJUUUORDSA-N -1 3 295.364 1.059 20 30 CDEDHM Cc1cccc([O-])c1C(=O)N1CCO[C@](C)(C#N)C1 ZINC000887691912 931202437 /nfs/dbraw/zinc/20/24/37/931202437.db2.gz ATSGJFSBFBAHDV-CQSZACIVSA-N -1 3 260.293 1.455 20 30 CDEDHM C#C[C@@H](C)NC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908365 937482348 /nfs/dbraw/zinc/48/23/48/937482348.db2.gz CXFHXZWSOYZCBS-MRVPVSSYSA-N -1 3 274.707 1.933 20 30 CDEDHM Cc1nc(Cl)nc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1C ZINC001160173701 931245300 /nfs/dbraw/zinc/24/53/00/931245300.db2.gz QRFQKHHVHSFTTB-XNCJUZBTSA-N -1 3 270.720 1.395 20 30 CDEDHM CC(C)OC(=O)c1cccnc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001160178904 931249723 /nfs/dbraw/zinc/24/97/23/931249723.db2.gz PERNBGOUXVSOPO-ONGXEEELSA-N -1 3 293.323 1.295 20 30 CDEDHM COc1ccc([C@H](O)C(=O)[N-]c2onc(C)c2C#N)cc1 ZINC001144774110 932010593 /nfs/dbraw/zinc/01/05/93/932010593.db2.gz PNDNGTOOJRNRTI-LBPRGKRZSA-N -1 3 287.275 1.535 20 30 CDEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cncnc1 ZINC001147434194 932498315 /nfs/dbraw/zinc/49/83/15/932498315.db2.gz XVAQLOTTZALSOC-UHFFFAOYSA-N -1 3 260.203 1.879 20 30 CDEDHM Cc1nc(C#N)c([N-]C(=O)c2cnoc2C2CC2)o1 ZINC001147651379 932578800 /nfs/dbraw/zinc/57/88/00/932578800.db2.gz MSCBJKWJKOPITB-UHFFFAOYSA-N -1 3 258.237 1.972 20 30 CDEDHM CCc1nc(Cl)c(F)c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1 ZINC001171362728 932865457 /nfs/dbraw/zinc/86/54/57/932865457.db2.gz LALUCFNRDBKDAR-XNCJUZBTSA-N -1 3 288.710 1.480 20 30 CDEDHM CCc1ncc(Cl)nc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171364019 932867251 /nfs/dbraw/zinc/86/72/51/932867251.db2.gz SPFSFDXWYKOSLL-RCOVLWMOSA-N -1 3 270.720 1.340 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)nc2ccsc21 ZINC001171363244 932867312 /nfs/dbraw/zinc/86/73/12/932867312.db2.gz DXFKCXFOHXPEAP-FSPLSTOPSA-N -1 3 298.755 1.993 20 30 CDEDHM CC(C)c1nc2[nH]ccc2c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1 ZINC001171365214 932871488 /nfs/dbraw/zinc/87/14/88/932871488.db2.gz QFMLGOGMHHZCML-WPRPVWTQSA-N -1 3 289.339 1.729 20 30 CDEDHM CCC(=O)NCc1cccc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1 ZINC001171365228 932872301 /nfs/dbraw/zinc/87/23/01/932872301.db2.gz QXUYLVSESNBVLB-HZMBPMFUSA-N -1 3 291.351 1.361 20 30 CDEDHM C=CC[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(=O)[O-] ZINC001119644521 937742926 /nfs/dbraw/zinc/74/29/26/937742926.db2.gz LHFVXAATCYCHDQ-STQMWFEESA-N -1 3 282.384 1.642 20 30 CDEDHM Cc1nc(Cl)cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1C ZINC001160174770 938772761 /nfs/dbraw/zinc/77/27/61/938772761.db2.gz NXIHRXCSOIPXOI-KGFZYKRKSA-N -1 3 269.732 2.000 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)nc2cccnc21 ZINC001160173931 938772817 /nfs/dbraw/zinc/77/28/17/938772817.db2.gz XLRJBNFTSMDRTN-XPUUQOCRSA-N -1 3 293.714 1.326 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC001160173711 938773002 /nfs/dbraw/zinc/77/30/02/938773002.db2.gz RGESRJMMUSKFHN-XNCJUZBTSA-N -1 3 286.675 1.291 20 30 CDEDHM Cc1cc(Cl)c(C)nc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001160176426 938773380 /nfs/dbraw/zinc/77/33/80/938773380.db2.gz QXOBWEJAZIMQJQ-XVKPBYJWSA-N -1 3 269.732 2.000 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc2nc[nH]c2cc1Cl ZINC001160174893 938773417 /nfs/dbraw/zinc/77/34/17/938773417.db2.gz QENGPNGTNKLNTI-XNCJUZBTSA-N -1 3 281.703 1.259 20 30 CDEDHM Cc1c(C)c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001160175023 938773705 /nfs/dbraw/zinc/77/37/05/938773705.db2.gz VHNKVOWTQCFHSK-WKEGUHRASA-N -1 3 280.284 1.255 20 30 CDEDHM COc1cccc2ncnc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)c21 ZINC001160176049 938773827 /nfs/dbraw/zinc/77/38/27/938773827.db2.gz DIXCJHMJSXVJNY-UFBFGSQYSA-N -1 3 288.307 1.286 20 30 CDEDHM Cc1ncc(Nc2nc(Cl)c(C#N)cc2C#N)c(=O)[n-]1 ZINC001162300550 938974569 /nfs/dbraw/zinc/97/45/69/938974569.db2.gz JXHIFRJZSTYLRT-SECBINFHSA-N -1 3 286.682 1.288 20 30 CDEDHM N#Cc1ccc2c(c1)ncnc2NCCCc1c[n-][nH]c1=O ZINC001164371039 939466260 /nfs/dbraw/zinc/46/62/60/939466260.db2.gz SKUBLYWPVFFUDK-NSHDSACASA-N -1 3 294.318 1.425 20 30 CDEDHM N#CNC(=Nc1cccc2[n-]nnc21)c1ccncc1 ZINC001164514107 939482008 /nfs/dbraw/zinc/48/20/08/939482008.db2.gz MFCWKVXKZZNRGX-UHFFFAOYSA-N -1 3 263.264 1.502 20 30 CDEDHM N#Cc1sccc1[N-]C(=O)c1cnc(CN)s1 ZINC001218625087 941246793 /nfs/dbraw/zinc/24/67/93/941246793.db2.gz SHRSKOPSCRKCAU-UHFFFAOYSA-N -1 3 264.335 1.787 20 30 CDEDHM CCOC(=O)[C@H]1CC[C@@H](Oc2cccc(/C=N/[O-])c2)CO1 ZINC001226114129 941952321 /nfs/dbraw/zinc/95/23/21/941952321.db2.gz GMADCPCENYDDRS-LFVFQHRSSA-N -1 3 293.319 1.984 20 30 CDEDHM C=CCOCC(COCC=C)Oc1cc(=O)[n-]c(CC)n1 ZINC001226472574 942011075 /nfs/dbraw/zinc/01/10/75/942011075.db2.gz JMCLLAZXPKDKAJ-UHFFFAOYSA-N -1 3 294.351 1.897 20 30 CDEDHM CCC1=C(Oc2[n-]c(=O)nc3cnncc32)C(=O)[C@H](C)O1 ZINC001226685690 942047245 /nfs/dbraw/zinc/04/72/45/942047245.db2.gz DYQCRPBANIXWDC-LURJTMIESA-N -1 3 288.263 1.114 20 30 CDEDHM CCc1oc(C)c(Oc2nc(=O)[nH]c3[nH]cnc32)c1[O-] ZINC001227069206 942126920 /nfs/dbraw/zinc/12/69/20/942126920.db2.gz GLUCOAWROUJONA-ZCFIWIBFSA-N -1 3 276.252 1.047 20 30 CDEDHM O=C1C=C[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227689665 942203713 /nfs/dbraw/zinc/20/37/13/942203713.db2.gz BDKMWNAGIJIRQA-ZETCQYMHSA-N -1 3 260.209 1.143 20 30 CDEDHM C=Cc1cnc(=O)[n-]c1OC1=C(CC)O[C@@H](C)C1=O ZINC001227714700 942210869 /nfs/dbraw/zinc/21/08/69/942210869.db2.gz ZXBBMTMGGFCXOO-ZETCQYMHSA-N -1 3 262.265 1.813 20 30 CDEDHM C#C[C@@H]1CCC[C@H]1Oc1nc(C(=O)OC)ccc1[O-] ZINC001227819395 942231747 /nfs/dbraw/zinc/23/17/47/942231747.db2.gz ACZFOJGIHULOHY-BXKDBHETSA-N -1 3 261.277 1.755 20 30 CDEDHM N#CC(=C([O-])c1ccc2n[nH]c(=O)n2c1)c1cccc(F)n1 ZINC001524711610 970884727 /nfs/dbraw/zinc/88/47/27/970884727.db2.gz GUKHKCHEFLEVRL-SECBINFHSA-N -1 3 297.249 1.459 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)CS ZINC001229341190 942455978 /nfs/dbraw/zinc/45/59/78/942455978.db2.gz HFRILNYUTXGMSE-SSDOTTSWSA-N -1 3 266.326 1.572 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)CS ZINC001229341190 942455981 /nfs/dbraw/zinc/45/59/81/942455981.db2.gz HFRILNYUTXGMSE-SSDOTTSWSA-N -1 3 266.326 1.572 20 30 CDEDHM C#CCN1CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231737898 942993310 /nfs/dbraw/zinc/99/33/10/942993310.db2.gz YAQKFIZFBLAZOC-UHFFFAOYSA-N -1 3 264.756 1.796 20 30 CDEDHM N#Cc1ccc([O-])c(CN2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001232673636 943355304 /nfs/dbraw/zinc/35/53/04/943355304.db2.gz KCXZJAZXOSAFKI-GFCCVEGCSA-N -1 3 286.253 1.763 20 30 CDEDHM N#Cc1ccc(CN2C[C@@H](F)C[C@H]2CO)c([O-])c1 ZINC001233383357 943569996 /nfs/dbraw/zinc/56/99/96/943569996.db2.gz FHHLEMKCXIFXNW-RYUDHWBXSA-N -1 3 250.273 1.169 20 30 CDEDHM CCOC(=O)[C@@H]1CCCN1Cc1ccc(C#N)cc1[O-] ZINC001233386908 943574424 /nfs/dbraw/zinc/57/44/24/943574424.db2.gz NFVCFUBZMHCRSC-ZDUSSCGKSA-N -1 3 274.320 1.791 20 30 CDEDHM C=CCN(C)c1nnc(-c2cnc[n-]c2=O)n1CC(C)C ZINC001263409118 943856308 /nfs/dbraw/zinc/85/63/08/943856308.db2.gz HOIYPWNOIPKWPT-UHFFFAOYSA-N -1 3 288.355 1.719 20 30 CDEDHM N#Cc1cc(NS(=O)(=O)C2CCCC2)ccc1[O-] ZINC001259801705 945640008 /nfs/dbraw/zinc/64/00/08/945640008.db2.gz LEQMSORYIAPFAL-UHFFFAOYSA-N -1 3 266.322 1.948 20 30 CDEDHM C=CCS(=O)(=O)[N-]c1ncccc1N1CCCC1 ZINC001259923674 945707856 /nfs/dbraw/zinc/70/78/56/945707856.db2.gz WEXGNUUZDRBSQB-UHFFFAOYSA-N -1 3 267.354 1.610 20 30 CDEDHM C=CCS(=O)(=O)[N-]c1cnc2cc(C3CCC3)nn2c1 ZINC001259923465 945708176 /nfs/dbraw/zinc/70/81/76/945708176.db2.gz LHZJGSVHPNVKHD-UHFFFAOYSA-N -1 3 292.364 1.925 20 30 CDEDHM C=CCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccccc1OC ZINC001259936501 945726949 /nfs/dbraw/zinc/72/69/49/945726949.db2.gz AAFOHWBOWZPMDF-GFCCVEGCSA-N -1 3 299.348 1.015 20 30 CDEDHM Cc1cc(C#N)nc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241441150 946282608 /nfs/dbraw/zinc/28/26/08/946282608.db2.gz CFVLOTQETLTSNK-UHFFFAOYSA-N -1 3 263.264 1.504 20 30 CDEDHM Cc1cc(C#N)nc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241441150 946282615 /nfs/dbraw/zinc/28/26/15/946282615.db2.gz CFVLOTQETLTSNK-UHFFFAOYSA-N -1 3 263.264 1.504 20 30 CDEDHM C=C[C@@H](C)ONC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001573320536 947350763 /nfs/dbraw/zinc/35/07/63/947350763.db2.gz YQKFWRTYHOSSPX-SECBINFHSA-N -1 3 288.311 1.803 20 30 CDEDHM CCOC(=O)c1cnc(-c2cnc(OC)c([O-])c2)c(C#N)c1 ZINC001244847259 947493842 /nfs/dbraw/zinc/49/38/42/947493842.db2.gz UKBRPHUTIBGZTP-UHFFFAOYSA-N -1 3 299.286 1.906 20 30 CDEDHM C=CCCCNC(=S)Nc1ccc(C(N)=O)cc1[O-] ZINC001247765379 948762411 /nfs/dbraw/zinc/76/24/11/948762411.db2.gz NTRNPZUGPHMQDZ-UHFFFAOYSA-N -1 3 279.365 1.744 20 30 CDEDHM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC001602781336 971523626 /nfs/dbraw/zinc/52/36/26/971523626.db2.gz WZQXSWDULXUQLU-SLEUVZQESA-N -1 3 293.367 1.124 20 30 CDEDHM C=CCCn1cc(CN[C@@H](C)[C@@H](C(=O)[O-])C(C)C)nn1 ZINC001327889999 955099752 /nfs/dbraw/zinc/09/97/52/955099752.db2.gz UPWMSSNZGIBKCW-AAEUAGOBSA-N -1 3 280.372 1.689 20 30 CDEDHM CC(C)C(C#N)=CNN=C1[N-]S(=O)(=O)c2ccccc21 ZINC001319496130 958593816 /nfs/dbraw/zinc/59/38/16/958593816.db2.gz GEPUAQXBLXKKGK-SNVBAGLBSA-N -1 3 290.348 1.507 20 30 CDEDHM C=C[C@@H](COC)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001320300026 959058919 /nfs/dbraw/zinc/05/89/19/959058919.db2.gz YEUCODARWQGTTC-VIFPVBQESA-N -1 3 291.319 1.753 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)CCc1c(C)nc[n-]c1=O ZINC001320969947 959493989 /nfs/dbraw/zinc/49/39/89/959493989.db2.gz HKJVZILVUDZOSO-GFCCVEGCSA-N -1 3 275.352 1.990 20 30 CDEDHM N#Cc1ccc(NCC(=O)Nc2cccc([O-])c2F)nc1 ZINC001433823185 960656483 /nfs/dbraw/zinc/65/64/83/960656483.db2.gz NUMMUIQCVRZHBV-UHFFFAOYSA-N -1 3 286.266 1.849 20 30 CDEDHM 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CDEDHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000235275887 296357033 /nfs/dbraw/zinc/35/70/33/296357033.db2.gz AHUSHZPFXXCYNI-GHMZBOCLSA-N -1 3 279.365 1.810 20 30 CDEDHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)CCOC(C)C ZINC000281081400 195095956 /nfs/dbraw/zinc/09/59/56/195095956.db2.gz CPCPFRPNBAEBQD-UHFFFAOYSA-N -1 3 297.380 1.767 20 30 CDEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1sccc1OC ZINC000186434775 262093254 /nfs/dbraw/zinc/09/32/54/262093254.db2.gz AVERJIJLYODWSE-QMMMGPOBSA-N -1 3 274.367 1.727 20 30 CDEDHM [O-]c1c(O)ccc(/C=N/[C@H]2CCN(c3ccccn3)C2)c1O ZINC000133118835 390934713 /nfs/dbraw/zinc/93/47/13/390934713.db2.gz IIDIBCMQAXZDMR-BEAUZRKQSA-N -1 3 299.330 1.896 20 30 CDEDHM C[C@@H](CC#N)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000338073422 391182720 /nfs/dbraw/zinc/18/27/20/391182720.db2.gz MISBEXKYOWOWIH-VIFPVBQESA-N -1 3 281.337 1.090 20 30 CDEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2ccncn2)n1C ZINC000345994862 391326853 /nfs/dbraw/zinc/32/68/53/391326853.db2.gz PNUSWFVQVCUNQV-SECBINFHSA-N -1 3 284.275 1.092 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(C#N)CCC2)s1 ZINC000416676673 391327393 /nfs/dbraw/zinc/32/73/93/391327393.db2.gz YWESALLGQOBFGL-UHFFFAOYSA-N -1 3 281.362 1.592 20 30 CDEDHM CCc1ccc(C(=O)N2CC(O)(CC#N)C2)c([O-])c1 ZINC000193978339 391748461 /nfs/dbraw/zinc/74/84/61/391748461.db2.gz SFFQGOOVZXLSIS-UHFFFAOYSA-N -1 3 260.293 1.055 20 30 CDEDHM COC[C@](C)(NCc1ccc(C#N)c(F)c1)C(=O)[O-] ZINC000404180585 391889881 /nfs/dbraw/zinc/88/98/81/391889881.db2.gz DMJABJGSSKUVAO-ZDUSSCGKSA-N -1 3 266.272 1.277 20 30 CDEDHM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000645884279 392462008 /nfs/dbraw/zinc/46/20/08/392462008.db2.gz ZZWUUFVUBZKKPW-NSHDSACASA-N -1 3 285.340 1.187 20 30 CDEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000491672370 392566531 /nfs/dbraw/zinc/56/65/31/392566531.db2.gz YLYTVXFZPFIWTD-LLVKDONJSA-N -1 3 282.752 1.902 20 30 CDEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCc1ccc(C#N)cc1 ZINC000522262400 392876197 /nfs/dbraw/zinc/87/61/97/392876197.db2.gz 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/nfs/dbraw/zinc/22/01/44/149220144.db2.gz LDZPCZHJUXLIMD-UHFFFAOYSA-N -1 3 294.361 1.197 20 30 CDEDHM C#C[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588325521 1173025241 /nfs/dbraw/zinc/02/52/41/1173025241.db2.gz NTEAULHNNILYBK-VIFPVBQESA-N -1 3 259.288 1.459 20 30 CDEDHM C#C[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588325521 1173025245 /nfs/dbraw/zinc/02/52/45/1173025245.db2.gz NTEAULHNNILYBK-VIFPVBQESA-N -1 3 259.288 1.459 20 30 CDEDHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccccc2C#N)n[nH]1 ZINC000285247020 196231690 /nfs/dbraw/zinc/23/16/90/196231690.db2.gz CCPBICHHQPJKLT-QMMMGPOBSA-N -1 3 291.336 1.024 20 30 CDEDHM C=CCn1c(SC[C@@H]2CCCN(C)C2=O)n[n-]c1=O ZINC000657252321 414083296 /nfs/dbraw/zinc/08/32/96/414083296.db2.gz YKTLQPCUJPESKO-VIFPVBQESA-N -1 3 282.369 1.130 20 30 CDEDHM C=C(C)CNC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001588430099 1173062496 /nfs/dbraw/zinc/06/24/96/1173062496.db2.gz LWWIGABJLBODNC-UHFFFAOYSA-N -1 3 294.265 1.843 20 30 CDEDHM C=C(C)CNC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588430099 1173062500 /nfs/dbraw/zinc/06/25/00/1173062500.db2.gz LWWIGABJLBODNC-UHFFFAOYSA-N -1 3 294.265 1.843 20 30 CDEDHM C=C[C@H](C(=O)OC)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588468510 1173069302 /nfs/dbraw/zinc/06/93/02/1173069302.db2.gz UEGYLHHVODHTPK-SNVBAGLBSA-N -1 3 293.352 1.088 20 30 CDEDHM C=C[C@H](C(=O)OC)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588468510 1173069305 /nfs/dbraw/zinc/06/93/05/1173069305.db2.gz UEGYLHHVODHTPK-SNVBAGLBSA-N -1 3 293.352 1.088 20 30 CDEDHM C=C[C@H](COC)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001588525562 1173071704 /nfs/dbraw/zinc/07/17/04/1173071704.db2.gz IJWXLBCOXSBUEX-MRVPVSSYSA-N -1 3 264.264 1.014 20 30 CDEDHM C=C[C@H](COC)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001588525562 1173071708 /nfs/dbraw/zinc/07/17/08/1173071708.db2.gz IJWXLBCOXSBUEX-MRVPVSSYSA-N -1 3 264.264 1.014 20 30 CDEDHM N#CC(=C([O-])c1ccc2nsnc2c1)c1ccncn1 ZINC000354463530 227000796 /nfs/dbraw/zinc/00/07/96/227000796.db2.gz IFXGYXARKRUBIT-SECBINFHSA-N -1 3 281.300 1.971 20 30 CDEDHM C[C@@H](C#N)N(Cc1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001588934261 1173114296 /nfs/dbraw/zinc/11/42/96/1173114296.db2.gz HPAJVKXTKSFZBV-VIFPVBQESA-N -1 3 286.314 1.882 20 30 CDEDHM C[C@@H](C#N)N(Cc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001588934261 1173114300 /nfs/dbraw/zinc/11/43/00/1173114300.db2.gz HPAJVKXTKSFZBV-VIFPVBQESA-N -1 3 286.314 1.882 20 30 CDEDHM CC(CCCO)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001589822256 1173187058 /nfs/dbraw/zinc/18/70/58/1173187058.db2.gz ZMSWRUGTXWJIOC-UHFFFAOYSA-N -1 3 260.301 1.427 20 30 CDEDHM CC(CCCO)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001589822256 1173187064 /nfs/dbraw/zinc/18/70/64/1173187064.db2.gz ZMSWRUGTXWJIOC-UHFFFAOYSA-N -1 3 260.301 1.427 20 30 CDEDHM N#CCN1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000267059741 262923060 /nfs/dbraw/zinc/92/30/60/262923060.db2.gz FAXHALTWHJRDIK-GFCCVEGCSA-N -1 3 273.336 1.358 20 30 CDEDHM Cc1cc(C(=O)NC2(C#N)CCOCC2)ccc1[O-] ZINC000272407189 263004066 /nfs/dbraw/zinc/00/40/66/263004066.db2.gz INUXWXPNGSVATO-UHFFFAOYSA-N -1 3 260.293 1.503 20 30 CDEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000278281550 263046487 /nfs/dbraw/zinc/04/64/87/263046487.db2.gz FZLWFQCDOHUZHZ-VIFPVBQESA-N -1 3 288.756 1.929 20 30 CDEDHM CCOC(=O)c1ccc(NC(=O)/C=N/OC)c([O-])c1 ZINC000283457689 263082946 /nfs/dbraw/zinc/08/29/46/263082946.db2.gz OFADVRMHPOSWBD-NTUHNPAUSA-N -1 3 266.253 1.140 20 30 CDEDHM CO[C@](C)(C/N=C/c1c([O-])c(C)ncc1CO)C1CC1 ZINC000290958700 263119349 /nfs/dbraw/zinc/11/93/49/263119349.db2.gz NCNZYKCCGGVGAG-XDMSJONFSA-N -1 3 278.352 1.822 20 30 CDEDHM CCc1cc(C(=O)N2CCN(CC#N)CC2)ccc1[O-] ZINC000292025909 263127345 /nfs/dbraw/zinc/12/73/45/263127345.db2.gz WDIBAZFXQXIKGK-UHFFFAOYSA-N -1 3 273.336 1.236 20 30 CDEDHM CC(=O)c1ccc(C(=O)NC[C@]2(O)CCO[C@@H]2C)cc1[O-] ZINC000331360538 264208994 /nfs/dbraw/zinc/20/89/94/264208994.db2.gz XXJRIDDSANQWQQ-MEBBXXQBSA-N -1 3 293.319 1.439 20 30 CDEDHM CC#CCC[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000356613002 266148668 /nfs/dbraw/zinc/14/86/68/266148668.db2.gz SRHNOWVPGJBCIP-UHFFFAOYSA-N -1 3 287.362 1.226 20 30 CDEDHM Cc1cnccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427772136 280281619 /nfs/dbraw/zinc/28/16/19/280281619.db2.gz CTKIUKLAUMGSFK-UHFFFAOYSA-N -1 3 291.307 1.624 20 30 CDEDHM CSC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151210175 289086238 /nfs/dbraw/zinc/08/62/38/289086238.db2.gz HCZRUENADCFUMO-MRVPVSSYSA-N -1 3 288.369 1.727 20 30 CDEDHM CCN(Cc1ccc(-c2nnn[n-]2)s1)[C@@H](C)C#N ZINC001590719716 1173498932 /nfs/dbraw/zinc/49/89/32/1173498932.db2.gz LQCFTFAPRKYSGS-QMMMGPOBSA-N -1 3 262.342 1.662 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NN(C)C[C@@H](C)O ZINC001591838566 1173713061 /nfs/dbraw/zinc/71/30/61/1173713061.db2.gz DJAORZJTWMCPPP-LLVKDONJSA-N -1 3 288.355 1.130 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NN(C)C[C@@H](C)O ZINC001591838566 1173713065 /nfs/dbraw/zinc/71/30/65/1173713065.db2.gz DJAORZJTWMCPPP-LLVKDONJSA-N -1 3 288.355 1.130 20 30 CDEDHM Cc1[n-][nH]c(=O)c1CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000580545212 324491699 /nfs/dbraw/zinc/49/16/99/324491699.db2.gz IURKDQIAWYVIKQ-JTQLQIEISA-N -1 3 287.279 1.390 20 30 CDEDHM C=CCCn1cc(C(=O)[N-]c2nnc(C)s2)nn1 ZINC000424723546 330453175 /nfs/dbraw/zinc/45/31/75/330453175.db2.gz PFFTXGYKUQZTEP-UHFFFAOYSA-N -1 3 264.314 1.266 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000491315125 332188249 /nfs/dbraw/zinc/18/82/49/332188249.db2.gz KYXUHQPGANIJAW-VIFPVBQESA-N -1 3 285.303 1.494 20 30 CDEDHM C#C[C@@H](CC)[N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000491462330 332215497 /nfs/dbraw/zinc/21/54/97/332215497.db2.gz IEWDEISONFCONN-ZETCQYMHSA-N -1 3 288.350 1.884 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000491554398 332236818 /nfs/dbraw/zinc/23/68/18/332236818.db2.gz IWWDMAJETRBHCF-SNVBAGLBSA-N -1 3 254.289 1.622 20 30 CDEDHM C#CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CC1 ZINC000491625611 332249518 /nfs/dbraw/zinc/24/95/18/332249518.db2.gz KPGQNDRSKXWHLZ-UHFFFAOYSA-N -1 3 283.287 1.200 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000491670729 332278123 /nfs/dbraw/zinc/27/81/23/332278123.db2.gz PHCYQMCDUWCGPD-SNVBAGLBSA-N -1 3 298.339 1.339 20 30 CDEDHM N#CCCn1cc(/C=C/C(=O)[N-]OCCO)c2ccccc21 ZINC000492009344 332379056 /nfs/dbraw/zinc/37/90/56/332379056.db2.gz RPVPRCQXHNJRAP-VOTSOKGWSA-N -1 3 299.330 1.608 20 30 CDEDHM C=C(C)CO[N-]C(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000496877529 332562990 /nfs/dbraw/zinc/56/29/90/332562990.db2.gz VIWAHBXEKACPHQ-NSHDSACASA-N -1 3 296.367 1.867 20 30 CDEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000233358072 333351744 /nfs/dbraw/zinc/35/17/44/333351744.db2.gz AFKZNZKWPKTZTL-SECBINFHSA-N -1 3 258.368 1.532 20 30 CDEDHM N#CC(=C([O-])c1ccc(N2CCCC2)nc1)c1ccncn1 ZINC000547813632 334121348 /nfs/dbraw/zinc/12/13/48/334121348.db2.gz IKIZTDJFXODYRT-ZDUSSCGKSA-N -1 3 293.330 1.962 20 30 CDEDHM CN(C(=O)c1cc(F)cc2[n-]nnc21)C1(C#N)CCC1 ZINC000576453403 335204991 /nfs/dbraw/zinc/20/49/91/335204991.db2.gz QTFNGXYNPRPBHU-UHFFFAOYSA-N -1 3 273.271 1.615 20 30 CDEDHM CN(C(=O)c1cc(F)cc2nn[n-]c21)C1(C#N)CCC1 ZINC000576453403 335204992 /nfs/dbraw/zinc/20/49/92/335204992.db2.gz QTFNGXYNPRPBHU-UHFFFAOYSA-N -1 3 273.271 1.615 20 30 CDEDHM CN(C(=O)c1cc(F)cc2n[n-]nc21)C1(C#N)CCC1 ZINC000576453403 335204993 /nfs/dbraw/zinc/20/49/93/335204993.db2.gz QTFNGXYNPRPBHU-UHFFFAOYSA-N -1 3 273.271 1.615 20 30 CDEDHM N#CC[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000180819182 335625322 /nfs/dbraw/zinc/62/53/22/335625322.db2.gz YXIMFQIDKZYADJ-UHFFFAOYSA-N -1 3 279.148 1.936 20 30 CDEDHM C=CCn1c(=O)[n-]nc1SCC[C@H]1CCCO1 ZINC000189067503 534427101 /nfs/dbraw/zinc/42/71/01/534427101.db2.gz DHTLLIRXOJXGSH-SECBINFHSA-N -1 3 255.343 1.419 20 30 CDEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000050336974 524341289 /nfs/dbraw/zinc/34/12/89/524341289.db2.gz QQQUXCSROWCKCU-ZETCQYMHSA-N -1 3 260.265 1.545 20 30 CDEDHM Cc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000063155902 526006201 /nfs/dbraw/zinc/00/62/01/526006201.db2.gz MACDJDIXCTZFRV-GFCCVEGCSA-N -1 3 280.349 1.787 20 30 CDEDHM C=CCC(C)(C)CNC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000352494796 527014872 /nfs/dbraw/zinc/01/48/72/527014872.db2.gz FTBQUDXTEBYNBY-UHFFFAOYSA-N -1 3 278.356 1.580 20 30 CDEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@H]1C=CCCC1 ZINC000737703789 574581880 /nfs/dbraw/zinc/58/18/80/574581880.db2.gz BNBVXKJEMWDRKZ-VIFPVBQESA-N -1 3 299.363 1.916 20 30 CDEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@H]1C=CCCC1 ZINC000737703789 574581881 /nfs/dbraw/zinc/58/18/81/574581881.db2.gz BNBVXKJEMWDRKZ-VIFPVBQESA-N -1 3 299.363 1.916 20 30 CDEDHM C=C(Cl)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735402037 575464242 /nfs/dbraw/zinc/46/42/42/575464242.db2.gz FUEVNGFIDWWZHN-UHFFFAOYSA-N -1 3 265.660 1.171 20 30 CDEDHM C=C(Cl)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735402037 575464245 /nfs/dbraw/zinc/46/42/45/575464245.db2.gz FUEVNGFIDWWZHN-UHFFFAOYSA-N -1 3 265.660 1.171 20 30 CDEDHM C=C(Cl)CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735402384 575464841 /nfs/dbraw/zinc/46/48/41/575464841.db2.gz UCVLSDIVQOZQKZ-UHFFFAOYSA-N -1 3 277.715 1.278 20 30 CDEDHM C=C(Cl)CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735402384 575464843 /nfs/dbraw/zinc/46/48/43/575464843.db2.gz UCVLSDIVQOZQKZ-UHFFFAOYSA-N -1 3 277.715 1.278 20 30 CDEDHM C[C@@]1(C/N=C/c2ccc(O)c([O-])c2O)CCOC1 ZINC000733081304 575100915 /nfs/dbraw/zinc/10/09/15/575100915.db2.gz UPCDLRWQSSVOPU-VYAXBHEWSA-N -1 3 251.282 1.649 20 30 CDEDHM COC(=O)[C@@H](CC(F)F)/N=C\c1ccc(O)c([O-])c1O ZINC000761179149 576557724 /nfs/dbraw/zinc/55/77/24/576557724.db2.gz ANELUAXZSBCLQD-WZECSBSVSA-N -1 3 289.234 1.419 20 30 CDEDHM CS(=O)(=O)[N-]N=C(Cc1ccccc1)C(F)F ZINC000769585169 575361713 /nfs/dbraw/zinc/36/17/13/575361713.db2.gz LOUIULJZFWADTB-UHFFFAOYSA-N -1 3 262.281 1.399 20 30 CDEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000770390438 575444726 /nfs/dbraw/zinc/44/47/26/575444726.db2.gz MXOAWQPNVYYOMJ-SNVBAGLBSA-N -1 3 269.370 1.613 20 30 CDEDHM C#CCOc1ccc(CN[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736088863 575568020 /nfs/dbraw/zinc/56/80/20/575568020.db2.gz FVBBQXMEPUFPGV-CQSZACIVSA-N -1 3 288.347 1.931 20 30 CDEDHM Cc1ccccc1OCCn1ccc(C=N[O-])nc1=O ZINC000736306098 575614961 /nfs/dbraw/zinc/61/49/61/575614961.db2.gz BATWGXNBWYKLSR-UHFFFAOYSA-N -1 3 273.292 1.439 20 30 CDEDHM CCC(=NN1CCN(C)CC1)c1ccc([O-])c(F)c1 ZINC000764650553 575930499 /nfs/dbraw/zinc/93/04/99/575930499.db2.gz XRZAAMYAJFXJOB-UHFFFAOYSA-N -1 3 265.332 1.893 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1ccc2ccccc2n1 ZINC000764703828 575936144 /nfs/dbraw/zinc/93/61/44/575936144.db2.gz HYDVJOUCNMBFOG-UHFFFAOYSA-N -1 3 263.322 1.508 20 30 CDEDHM COC(=O)[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737586721 575997624 /nfs/dbraw/zinc/99/76/24/575997624.db2.gz FFTNLTNBRZJIMG-QWHCGFSZSA-N -1 3 288.303 1.179 20 30 CDEDHM CN(C)c1nc(=NN=Cc2ccc(O)cc2[O-])cc[nH]1 ZINC000739413011 576229116 /nfs/dbraw/zinc/22/91/16/576229116.db2.gz GRHIATNPZJAPHM-UHFFFAOYSA-N -1 3 273.296 1.400 20 30 CDEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768843785 576312569 /nfs/dbraw/zinc/31/25/69/576312569.db2.gz NAFBCYSKEBOUMQ-ZCFIWIBFSA-N -1 3 275.311 1.094 20 30 CDEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cccc2nonc21 ZINC000768883216 576315717 /nfs/dbraw/zinc/31/57/17/576315717.db2.gz YDJZXKDPFNUFQH-SECBINFHSA-N -1 3 280.309 1.049 20 30 CDEDHM CCc1nnsc1C(=O)[N-]c1ncc(C#N)s1 ZINC000759634585 576413678 /nfs/dbraw/zinc/41/36/78/576413678.db2.gz TZNUPJIAKSUQMY-UHFFFAOYSA-N -1 3 265.323 1.681 20 30 CDEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cncnc2)c1 ZINC000761098778 576548158 /nfs/dbraw/zinc/54/81/58/576548158.db2.gz HRFKKZLPDHGAGA-ZDUSSCGKSA-N -1 3 280.287 1.746 20 30 CDEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)[C@H]1CCOC1 ZINC000741839657 576575687 /nfs/dbraw/zinc/57/56/87/576575687.db2.gz MCPJKMUCPVNCSZ-ZDUSSCGKSA-N -1 3 296.392 1.909 20 30 CDEDHM COc1ccc(C=N[N-]c2[nH+]cnc3[n-]cnc32)s1 ZINC000763169741 576718088 /nfs/dbraw/zinc/71/80/88/576718088.db2.gz SUZKHNXFSSSQIJ-UHFFFAOYSA-N -1 3 274.309 1.869 20 30 CDEDHM C[C@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)CCN1C ZINC000763367621 576732801 /nfs/dbraw/zinc/73/28/01/576732801.db2.gz DGZWIAGBYIFNGH-VIFPVBQESA-N -1 3 262.313 1.662 20 30 CDEDHM CCOc1ccc(C#N)cc1NC(=O)c1nc[n-]n1 ZINC000746138330 576756293 /nfs/dbraw/zinc/75/62/93/576756293.db2.gz LXYOOSAWFRGHCJ-UHFFFAOYSA-N -1 3 257.253 1.327 20 30 CDEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cccc2nonc21 ZINC000753923257 576866469 /nfs/dbraw/zinc/86/64/69/576866469.db2.gz DORPTOOQURBLGX-MRVPVSSYSA-N -1 3 280.309 1.193 20 30 CDEDHM CCC1N=NC(=S)N1N=Cc1cc(F)ccc1[O-] ZINC000755508248 576947415 /nfs/dbraw/zinc/94/74/15/576947415.db2.gz MFVQEJIETWVEEJ-UHFFFAOYSA-N -1 3 266.301 1.856 20 30 CDEDHM CCCCC[C@@H](C)NC(=O)Cn1ccc(C=N[O-])nc1=O ZINC000749795181 576963095 /nfs/dbraw/zinc/96/30/95/576963095.db2.gz LNDWBVLSZSNRRD-LLVKDONJSA-N -1 3 294.355 1.136 20 30 CDEDHM COc1cc(C(=O)[O-])ccc1N=NC1CN(C)C[C@H]1C ZINC000756898861 577014193 /nfs/dbraw/zinc/01/41/93/577014193.db2.gz DXXDFSQDNSDIIN-SECBINFHSA-N -1 3 277.324 1.743 20 30 CDEDHM COc1cc(C=NNC2CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC000757597673 577044718 /nfs/dbraw/zinc/04/47/18/577044718.db2.gz HNADTJHRKVHRKL-UHFFFAOYSA-N -1 3 295.295 1.412 20 30 CDEDHM Cc1nc(C)c(CC(=O)N2CCC[C@@](C)(C#N)C2)c(=O)[n-]1 ZINC000753153542 577149812 /nfs/dbraw/zinc/14/98/12/577149812.db2.gz JDMXGMKJKDHTOL-HNNXBMFYSA-N -1 3 288.351 1.494 20 30 CDEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cscn1 ZINC000819719075 607252432 /nfs/dbraw/zinc/25/24/32/607252432.db2.gz YRXBZPQLOADPHW-UHFFFAOYSA-N -1 3 285.336 1.447 20 30 CDEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cscn1 ZINC000819719075 607252433 /nfs/dbraw/zinc/25/24/33/607252433.db2.gz YRXBZPQLOADPHW-UHFFFAOYSA-N -1 3 285.336 1.447 20 30 CDEDHM N#CCCCCNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000822806161 599526837 /nfs/dbraw/zinc/52/68/37/599526837.db2.gz JTKFNUFNABCHRF-UHFFFAOYSA-N -1 3 293.334 1.943 20 30 CDEDHM N#CCCCCNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000822806161 599526839 /nfs/dbraw/zinc/52/68/39/599526839.db2.gz JTKFNUFNABCHRF-UHFFFAOYSA-N -1 3 293.334 1.943 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC000822830172 607396205 /nfs/dbraw/zinc/39/62/05/607396205.db2.gz WJQYRSMLPAEQHG-GFCCVEGCSA-N -1 3 298.306 1.246 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC000822830172 607396207 /nfs/dbraw/zinc/39/62/07/607396207.db2.gz WJQYRSMLPAEQHG-GFCCVEGCSA-N -1 3 298.306 1.246 20 30 CDEDHM COc1ccc(CN(C)C[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC000826193296 607493030 /nfs/dbraw/zinc/49/30/30/607493030.db2.gz ZEDMHMWYVGQIKO-SNVBAGLBSA-N -1 3 286.339 1.467 20 30 CDEDHM COc1ccc(CN(C)C[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC000826193296 607493031 /nfs/dbraw/zinc/49/30/31/607493031.db2.gz ZEDMHMWYVGQIKO-SNVBAGLBSA-N -1 3 286.339 1.467 20 30 CDEDHM C[C@H]1OCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825011926 607652770 /nfs/dbraw/zinc/65/27/70/607652770.db2.gz ALLSFAMVKNSUEB-MRVPVSSYSA-N -1 3 258.285 1.443 20 30 CDEDHM C[C@H]1OCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825011926 607652771 /nfs/dbraw/zinc/65/27/71/607652771.db2.gz ALLSFAMVKNSUEB-MRVPVSSYSA-N -1 3 258.285 1.443 20 30 CDEDHM C#CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001602713989 1175372210 /nfs/dbraw/zinc/37/22/10/1175372210.db2.gz FLUDJGKIDUOXPX-UHFFFAOYSA-N -1 3 285.311 1.137 20 30 CDEDHM C#CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001602713989 1175372220 /nfs/dbraw/zinc/37/22/20/1175372220.db2.gz FLUDJGKIDUOXPX-UHFFFAOYSA-N -1 3 285.311 1.137 20 30 CDEDHM C=C(CC)CNC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001602768277 1175393592 /nfs/dbraw/zinc/39/35/92/1175393592.db2.gz WCBXIOMCQIGHLH-UHFFFAOYSA-N -1 3 292.368 1.694 20 30 CDEDHM CN(CCC#N)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821597968 606198029 /nfs/dbraw/zinc/19/80/29/606198029.db2.gz MTVKFYCTJYSHNA-UHFFFAOYSA-N -1 3 299.338 1.041 20 30 CDEDHM CN(CCC#N)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821597968 606198030 /nfs/dbraw/zinc/19/80/30/606198030.db2.gz MTVKFYCTJYSHNA-UHFFFAOYSA-N -1 3 299.338 1.041 20 30 CDEDHM N#Cc1ccccc1COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822842659 606229383 /nfs/dbraw/zinc/22/93/83/606229383.db2.gz SGYWYNDXFQQNFJ-UHFFFAOYSA-N -1 3 294.274 1.423 20 30 CDEDHM N#Cc1ccccc1COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822842659 606229384 /nfs/dbraw/zinc/22/93/84/606229384.db2.gz SGYWYNDXFQQNFJ-UHFFFAOYSA-N -1 3 294.274 1.423 20 30 CDEDHM Cn1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822690391 606624112 /nfs/dbraw/zinc/62/41/12/606624112.db2.gz XSLKUDBEYQXURU-UHFFFAOYSA-N -1 3 267.296 1.651 20 30 CDEDHM N#CCCN(CCC#N)Cc1ccccc1-c1nnn[n-]1 ZINC000822810636 606641033 /nfs/dbraw/zinc/64/10/33/606641033.db2.gz KCDJKQQODHMLJJ-UHFFFAOYSA-N -1 3 281.323 1.496 20 30 CDEDHM N#CCCN(CCC#N)Cc1ccccc1-c1nn[n-]n1 ZINC000822810636 606641034 /nfs/dbraw/zinc/64/10/34/606641034.db2.gz KCDJKQQODHMLJJ-UHFFFAOYSA-N -1 3 281.323 1.496 20 30 CDEDHM COC[C@@H](C)CN=Nc1cccc(-c2nnn[n-]2)c1 ZINC000821681917 606702295 /nfs/dbraw/zinc/70/22/95/606702295.db2.gz VLQABULFUINNFL-VIFPVBQESA-N -1 3 260.301 1.547 20 30 CDEDHM COC[C@@H](C)CN=Nc1cccc(-c2nn[n-]n2)c1 ZINC000821681917 606702296 /nfs/dbraw/zinc/70/22/96/606702296.db2.gz VLQABULFUINNFL-VIFPVBQESA-N -1 3 260.301 1.547 20 30 CDEDHM C(=NO[C@@H]1CCCCO1)c1cc(-c2nnn[n-]2)cs1 ZINC000823867603 607889924 /nfs/dbraw/zinc/88/99/24/607889924.db2.gz DAMWWKXVCHJPLH-SNVBAGLBSA-N -1 3 279.325 1.805 20 30 CDEDHM C(=NO[C@@H]1CCCCO1)c1cc(-c2nn[n-]n2)cs1 ZINC000823867603 607889925 /nfs/dbraw/zinc/88/99/25/607889925.db2.gz DAMWWKXVCHJPLH-SNVBAGLBSA-N -1 3 279.325 1.805 20 30 CDEDHM COCC#CCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826147275 608104356 /nfs/dbraw/zinc/10/43/56/608104356.db2.gz RSXDXWISBNUDCA-CMDGGOBGSA-N -1 3 298.302 1.073 20 30 CDEDHM COCC#CCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826147275 608104357 /nfs/dbraw/zinc/10/43/57/608104357.db2.gz RSXDXWISBNUDCA-CMDGGOBGSA-N -1 3 298.302 1.073 20 30 CDEDHM C(C[C@@H]1CCOC1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823867956 608228373 /nfs/dbraw/zinc/22/83/73/608228373.db2.gz KSBHESMYXMHBGO-GFCCVEGCSA-N -1 3 286.339 1.369 20 30 CDEDHM C=CCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001602837610 1175425828 /nfs/dbraw/zinc/42/58/28/1175425828.db2.gz AEYLBVVCUHBGHT-UHFFFAOYSA-N -1 3 274.328 1.243 20 30 CDEDHM C=CCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001602837610 1175425830 /nfs/dbraw/zinc/42/58/30/1175425830.db2.gz AEYLBVVCUHBGHT-UHFFFAOYSA-N -1 3 274.328 1.243 20 30 CDEDHM C(C[C@@H]1CCOC1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823867956 608228371 /nfs/dbraw/zinc/22/83/71/608228371.db2.gz KSBHESMYXMHBGO-GFCCVEGCSA-N -1 3 286.339 1.369 20 30 CDEDHM C=CCN(CC=C)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823903996 609181550 /nfs/dbraw/zinc/18/15/50/609181550.db2.gz QOFMLFMTEWRHMX-ZDUSSCGKSA-N -1 3 299.334 1.101 20 30 CDEDHM C=CCN(CC=C)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823903996 609181552 /nfs/dbraw/zinc/18/15/52/609181552.db2.gz QOFMLFMTEWRHMX-ZDUSSCGKSA-N -1 3 299.334 1.101 20 30 CDEDHM C[C@@H](C#N)CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824035208 609290895 /nfs/dbraw/zinc/29/08/95/609290895.db2.gz UEFIPODHVQYSPK-ZETCQYMHSA-N -1 3 290.714 1.410 20 30 CDEDHM C[C@@H](C#N)CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824035208 609290896 /nfs/dbraw/zinc/29/08/96/609290896.db2.gz 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QPKPDNDBGAPMDR-QMMMGPOBSA-N -1 3 275.337 1.460 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)c1sccc1-c1nn[n-]n1 ZINC001588327769 1173026619 /nfs/dbraw/zinc/02/66/19/1173026619.db2.gz QPKPDNDBGAPMDR-QMMMGPOBSA-N -1 3 275.337 1.460 20 30 CDEDHM C#CCCCNC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588346032 1173048027 /nfs/dbraw/zinc/04/80/27/1173048027.db2.gz YWRVHEMJZGVWPR-UHFFFAOYSA-N -1 3 295.346 1.428 20 30 CDEDHM C#CCCCNC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588346032 1173048035 /nfs/dbraw/zinc/04/80/35/1173048035.db2.gz YWRVHEMJZGVWPR-UHFFFAOYSA-N -1 3 295.346 1.428 20 30 CDEDHM C#CCN(CC)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588350085 1173049375 /nfs/dbraw/zinc/04/93/75/1173049375.db2.gz BILRGDJBEHCGRG-UHFFFAOYSA-N -1 3 261.310 1.024 20 30 CDEDHM C#CCN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001588350822 1173049786 /nfs/dbraw/zinc/04/97/86/1173049786.db2.gz RCTGEZDAORPRTA-UHFFFAOYSA-N -1 3 298.306 1.373 20 30 CDEDHM C#CCN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001588350822 1173049793 /nfs/dbraw/zinc/04/97/93/1173049793.db2.gz RCTGEZDAORPRTA-UHFFFAOYSA-N -1 3 298.306 1.373 20 30 CDEDHM C#CCON=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588363732 1173053140 /nfs/dbraw/zinc/05/31/40/1173053140.db2.gz XLHITUQNBXWJFN-UHFFFAOYSA-N -1 3 267.292 1.557 20 30 CDEDHM C#CCON=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588363732 1173053145 /nfs/dbraw/zinc/05/31/45/1173053145.db2.gz XLHITUQNBXWJFN-UHFFFAOYSA-N -1 3 267.292 1.557 20 30 CDEDHM C(=NOCc1ccccc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001588384289 1173055598 /nfs/dbraw/zinc/05/55/98/1173055598.db2.gz CVTJHSSWUGSIAL-LLVKDONJSA-N -1 3 273.296 1.548 20 30 CDEDHM C(=NOCc1ccccc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001588384289 1173055605 /nfs/dbraw/zinc/05/56/05/1173055605.db2.gz CVTJHSSWUGSIAL-LLVKDONJSA-N -1 3 273.296 1.548 20 30 CDEDHM C=CC(C)(C)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588487702 1173068998 /nfs/dbraw/zinc/06/89/98/1173068998.db2.gz AOUDRVFDVYFGDN-UHFFFAOYSA-N -1 3 263.326 1.623 20 30 CDEDHM C=CC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588539688 1173077720 /nfs/dbraw/zinc/07/77/20/1173077720.db2.gz VCBICTHRUZNOJH-QMMMGPOBSA-N -1 3 273.300 1.348 20 30 CDEDHM C=CC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588539688 1173077727 /nfs/dbraw/zinc/07/77/27/1173077727.db2.gz VCBICTHRUZNOJH-QMMMGPOBSA-N -1 3 273.300 1.348 20 30 CDEDHM C=CCOCCCNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588683120 1173096288 /nfs/dbraw/zinc/09/62/88/1173096288.db2.gz YEXGNCYVSATAJA-UHFFFAOYSA-N -1 3 287.323 1.189 20 30 CDEDHM C=CCOCCCNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588683120 1173096296 /nfs/dbraw/zinc/09/62/96/1173096296.db2.gz YEXGNCYVSATAJA-UHFFFAOYSA-N -1 3 287.323 1.189 20 30 CDEDHM CC(C)(C#N)CNCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589036199 1173122253 /nfs/dbraw/zinc/12/22/53/1173122253.db2.gz XVKLIYHIOWQFIR-UHFFFAOYSA-N -1 3 274.303 1.645 20 30 CDEDHM CC(C)(C#N)CNCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589036199 1173122258 /nfs/dbraw/zinc/12/22/58/1173122258.db2.gz XVKLIYHIOWQFIR-UHFFFAOYSA-N -1 3 274.303 1.645 20 30 CDEDHM C[C@H](CCC#N)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001589804212 1173183971 /nfs/dbraw/zinc/18/39/71/1173183971.db2.gz XUWPLNYBZOHVNE-SNVBAGLBSA-N -1 3 268.324 1.875 20 30 CDEDHM C[C@@H](O)[C@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001589994216 1173224083 /nfs/dbraw/zinc/22/40/83/1173224083.db2.gz DSPKLXVUVYIVLC-PWSUYJOCSA-N -1 3 298.350 1.336 20 30 CDEDHM C[C@@H](O)[C@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001589994216 1173224089 /nfs/dbraw/zinc/22/40/89/1173224089.db2.gz DSPKLXVUVYIVLC-PWSUYJOCSA-N -1 3 298.350 1.336 20 30 CDEDHM CC1(C#N)CCN(Cc2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001590054761 1173239195 /nfs/dbraw/zinc/23/91/95/1173239195.db2.gz NSCRDDAAPXZZBC-UHFFFAOYSA-N -1 3 283.339 1.387 20 30 CDEDHM CC1(C#N)CN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001590056293 1173243903 /nfs/dbraw/zinc/24/39/03/1173243903.db2.gz FUFNWWDTLJLTBC-UHFFFAOYSA-N -1 3 275.703 1.265 20 30 CDEDHM CC1(C#N)CN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001590056293 1173243906 /nfs/dbraw/zinc/24/39/06/1173243906.db2.gz FUFNWWDTLJLTBC-UHFFFAOYSA-N -1 3 275.703 1.265 20 30 CDEDHM CC[C@@H](CC#N)Nc1nccc(C)c1-c1nnn[n-]1 ZINC001590419470 1173403859 /nfs/dbraw/zinc/40/38/59/1173403859.db2.gz MJFKFEPYHNGRNB-VIFPVBQESA-N -1 3 257.301 1.674 20 30 CDEDHM CC[C@@H](CC#N)Nc1nccc(C)c1-c1nn[n-]n1 ZINC001590419470 1173403862 /nfs/dbraw/zinc/40/38/62/1173403862.db2.gz MJFKFEPYHNGRNB-VIFPVBQESA-N -1 3 257.301 1.674 20 30 CDEDHM CC[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCCO1 ZINC001590523320 1173452734 /nfs/dbraw/zinc/45/27/34/1173452734.db2.gz WRPVRUSVDOFWKG-LBPRGKRZSA-N -1 3 298.350 1.744 20 30 CDEDHM CC[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCCO1 ZINC001590523320 1173452737 /nfs/dbraw/zinc/45/27/37/1173452737.db2.gz WRPVRUSVDOFWKG-LBPRGKRZSA-N -1 3 298.350 1.744 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001590538330 1173456004 /nfs/dbraw/zinc/45/60/04/1173456004.db2.gz GEULFXZPNRAGLY-LBPRGKRZSA-N -1 3 298.350 1.906 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001590538330 1173456008 /nfs/dbraw/zinc/45/60/08/1173456008.db2.gz GEULFXZPNRAGLY-LBPRGKRZSA-N -1 3 298.350 1.906 20 30 CDEDHM CCO[C@@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590795753 1173514105 /nfs/dbraw/zinc/51/41/05/1173514105.db2.gz ZPZHUWVENFTNFQ-GFCCVEGCSA-N -1 3 298.350 1.744 20 30 CDEDHM CCO[C@@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590795753 1173514109 /nfs/dbraw/zinc/51/41/09/1173514109.db2.gz ZPZHUWVENFTNFQ-GFCCVEGCSA-N -1 3 298.350 1.744 20 30 CDEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)C(C)(C)C#N ZINC001590878483 1173534350 /nfs/dbraw/zinc/53/43/50/1173534350.db2.gz RFZOMLJELMVUHQ-UHFFFAOYSA-N -1 3 285.307 1.884 20 30 CDEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)C(C)(C)C#N ZINC001590878483 1173534354 /nfs/dbraw/zinc/53/43/54/1173534354.db2.gz RFZOMLJELMVUHQ-UHFFFAOYSA-N -1 3 285.307 1.884 20 30 CDEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCC[C@H]1C#N ZINC001590992133 1173558464 /nfs/dbraw/zinc/55/84/64/1173558464.db2.gz GBWQEOBBPAZJKM-QWHCGFSZSA-N -1 3 296.334 1.631 20 30 CDEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCC[C@H]1C#N ZINC001590992133 1173558468 /nfs/dbraw/zinc/55/84/68/1173558468.db2.gz GBWQEOBBPAZJKM-QWHCGFSZSA-N -1 3 296.334 1.631 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCC[C@H]1C#N ZINC001591135054 1173576160 /nfs/dbraw/zinc/57/61/60/1173576160.db2.gz JXLOVBODUWGANG-KBPBESRZSA-N -1 3 282.351 1.991 20 30 CDEDHM CN(Cc1ccc(C#N)cc1)c1nnccc1-c1nnn[n-]1 ZINC001591140150 1173576752 /nfs/dbraw/zinc/57/67/52/1173576752.db2.gz CWAYSJCVGCEOQT-UHFFFAOYSA-N -1 3 292.306 1.165 20 30 CDEDHM CN(Cc1ccc(C#N)cc1)c1nnccc1-c1nn[n-]n1 ZINC001591140150 1173576755 /nfs/dbraw/zinc/57/67/55/1173576755.db2.gz CWAYSJCVGCEOQT-UHFFFAOYSA-N -1 3 292.306 1.165 20 30 CDEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C#CC1CC1 ZINC001591564378 1173669077 /nfs/dbraw/zinc/66/90/77/1173669077.db2.gz CSGLBROLXRHQKU-UHFFFAOYSA-N -1 3 283.291 1.227 20 30 CDEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C#CC1CC1 ZINC001591564378 1173669084 /nfs/dbraw/zinc/66/90/84/1173669084.db2.gz CSGLBROLXRHQKU-UHFFFAOYSA-N -1 3 283.291 1.227 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CN(CC#N)C1CC1 ZINC001591846455 1173715600 /nfs/dbraw/zinc/71/56/00/1173715600.db2.gz MCYLJQHLZLRACD-UHFFFAOYSA-N -1 3 282.351 1.972 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN(CC#N)C1CC1 ZINC001591846455 1173715605 /nfs/dbraw/zinc/71/56/05/1173715605.db2.gz MCYLJQHLZLRACD-UHFFFAOYSA-N -1 3 282.351 1.972 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN[C@@H](C)CC#N ZINC001591852166 1173718139 /nfs/dbraw/zinc/71/81/39/1173718139.db2.gz WOWNEMIWPKIZCE-NSHDSACASA-N -1 3 270.340 1.875 20 30 CDEDHM Cc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1-c1nnn[n-]1 ZINC001592122417 1173807563 /nfs/dbraw/zinc/80/75/63/1173807563.db2.gz JDEQDQRRYZOLDK-GFCCVEGCSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1-c1nn[n-]n1 ZINC001592122417 1173807570 /nfs/dbraw/zinc/80/75/70/1173807570.db2.gz JDEQDQRRYZOLDK-GFCCVEGCSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCCCC(C)(C)C#N ZINC001592340547 1173862684 /nfs/dbraw/zinc/86/26/84/1173862684.db2.gz HYMCMBFIENRJLY-UHFFFAOYSA-N -1 3 298.354 1.963 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCCCC(C)(C)C#N ZINC001592340547 1173862688 /nfs/dbraw/zinc/86/26/88/1173862688.db2.gz HYMCMBFIENRJLY-UHFFFAOYSA-N -1 3 298.354 1.963 20 30 CDEDHM Cc1nc(C)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC001592357492 1173867990 /nfs/dbraw/zinc/86/79/90/1173867990.db2.gz YNWHYBOOHBJCRX-UHFFFAOYSA-N -1 3 297.322 1.595 20 30 CDEDHM Cc1nc(C)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001592357492 1173867995 /nfs/dbraw/zinc/86/79/95/1173867995.db2.gz YNWHYBOOHBJCRX-UHFFFAOYSA-N -1 3 297.322 1.595 20 30 CDEDHM Cc1nnsc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001592452640 1173895389 /nfs/dbraw/zinc/89/53/89/1173895389.db2.gz UXSYEAFSTGYEMJ-UHFFFAOYSA-N -1 3 286.324 1.473 20 30 CDEDHM Cc1nnsc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001592452640 1173895392 /nfs/dbraw/zinc/89/53/92/1173895392.db2.gz UXSYEAFSTGYEMJ-UHFFFAOYSA-N -1 3 286.324 1.473 20 30 CDEDHM Cn1c(C(=O)Nc2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001592552876 1173920454 /nfs/dbraw/zinc/92/04/54/1173920454.db2.gz MQRUSMXIIQGVOB-UHFFFAOYSA-N -1 3 293.290 1.329 20 30 CDEDHM Cn1c(C(=O)Nc2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001592552876 1173920459 /nfs/dbraw/zinc/92/04/59/1173920459.db2.gz MQRUSMXIIQGVOB-UHFFFAOYSA-N -1 3 293.290 1.329 20 30 CDEDHM N#CC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCC1 ZINC001592670071 1173960555 /nfs/dbraw/zinc/96/05/55/1173960555.db2.gz RXJYKWLKWYHNPK-UHFFFAOYSA-N -1 3 299.294 1.881 20 30 CDEDHM N#C[C@]1(F)CCN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001592670671 1173961497 /nfs/dbraw/zinc/96/14/97/1173961497.db2.gz KIBBUHDMHANBMJ-CYBMUJFWSA-N -1 3 290.277 1.443 20 30 CDEDHM N#C[C@]1(F)CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001592670671 1173961500 /nfs/dbraw/zinc/96/15/00/1173961500.db2.gz KIBBUHDMHANBMJ-CYBMUJFWSA-N -1 3 290.277 1.443 20 30 CDEDHM N#C[C@@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592672943 1173963726 /nfs/dbraw/zinc/96/37/26/1173963726.db2.gz QYCXMPFCPPYXBO-JTQLQIEISA-N -1 3 282.307 1.242 20 30 CDEDHM 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CCFSDNOQCFUNPK-GFCCVEGCSA-N -1 3 282.303 1.282 20 30 CDEDHM COc1nc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)n[n-]1 ZINC000456007396 361948144 /nfs/dbraw/zinc/94/81/44/361948144.db2.gz CPFXUPDCUJLPFY-UHFFFAOYSA-N -1 3 299.334 1.892 20 30 CDEDHM COc1nnc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[n-]1 ZINC000456007396 361948152 /nfs/dbraw/zinc/94/81/52/361948152.db2.gz CPFXUPDCUJLPFY-UHFFFAOYSA-N -1 3 299.334 1.892 20 30 CDEDHM COc1n[n-]c(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)n1 ZINC000456007396 361948159 /nfs/dbraw/zinc/94/81/59/361948159.db2.gz CPFXUPDCUJLPFY-UHFFFAOYSA-N -1 3 299.334 1.892 20 30 CDEDHM CN(CCN1CCCCC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000593884536 342844708 /nfs/dbraw/zinc/84/47/08/342844708.db2.gz XXQNVPPQISTSFI-UHFFFAOYSA-N -1 3 287.363 1.822 20 30 CDEDHM C[C@@]1(C#N)CCCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000594339526 342890818 /nfs/dbraw/zinc/89/08/18/342890818.db2.gz QHCCJEVGDCTWNP-HNNXBMFYSA-N -1 3 286.335 1.825 20 30 CDEDHM COc1cccc(S(=O)(=O)[N-]C2(C#N)CC2)c1F ZINC000594578941 342920192 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CDEDHM O=C(CNC(=O)C1CC1)N([O-])Cc1ccccc1Cl ZINC000904187759 626208469 /nfs/dbraw/zinc/20/84/69/626208469.db2.gz SKRMYHVQTNTBGU-UHFFFAOYSA-N -1 3 282.727 1.584 20 30 CDEDHM CCCn1cc(C(=O)N([O-])Cc2ccc(F)cc2)nn1 ZINC000904172763 626209871 /nfs/dbraw/zinc/20/98/71/626209871.db2.gz BNCLDCBIOAUWJL-UHFFFAOYSA-N -1 3 278.287 1.859 20 30 CDEDHM O=C([C@H]1CCCNC1=O)N([O-])Cc1ccc(F)cc1 ZINC000904177803 626211257 /nfs/dbraw/zinc/21/12/57/626211257.db2.gz OJVASALRQCXDOO-NSHDSACASA-N -1 3 266.272 1.070 20 30 CDEDHM CCCCN([O-])C(=O)Cc1ccc([S@](C)=O)cc1 ZINC000904213729 626226976 /nfs/dbraw/zinc/22/69/76/626226976.db2.gz YPQKMKIYTBAISL-SFHVURJKSA-N -1 3 269.366 1.984 20 30 CDEDHM C=CC(C)(C)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC000910046864 628843537 /nfs/dbraw/zinc/84/35/37/628843537.db2.gz LIJILSPXJOEVJB-UHFFFAOYSA-N -1 3 271.324 1.941 20 30 CDEDHM C=CC(C)(C)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC000910046864 628843540 /nfs/dbraw/zinc/84/35/40/628843540.db2.gz LIJILSPXJOEVJB-UHFFFAOYSA-N -1 3 271.324 1.941 20 30 CDEDHM CCC[C@@](C)([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC ZINC000913897648 630869280 /nfs/dbraw/zinc/86/92/80/630869280.db2.gz WEMKXGZTOWRCDX-GFCCVEGCSA-N -1 3 290.385 1.187 20 30 CDEDHM C=CCN(CCC#N)Cc1csc(-c2nnn[n-]2)c1 ZINC001602852022 1175435654 /nfs/dbraw/zinc/43/56/54/1175435654.db2.gz GQPOJZVKQWVTIA-UHFFFAOYSA-N -1 3 274.353 1.830 20 30 CDEDHM CO[C@H]1CCC[C@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001605029937 1163422559 /nfs/dbraw/zinc/42/25/59/1163422559.db2.gz HKRBUAIDHIDQFT-AAEUAGOBSA-N -1 3 298.350 1.965 20 30 CDEDHM CO[C@H]1CCC[C@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001605029937 1163422562 /nfs/dbraw/zinc/42/25/62/1163422562.db2.gz HKRBUAIDHIDQFT-AAEUAGOBSA-N -1 3 298.350 1.965 20 30 CDEDHM C[C@H](C[C@H](C)NC(=O)c1ccccc1[O-])NCC#N ZINC001133723541 1163865740 /nfs/dbraw/zinc/86/57/40/1163865740.db2.gz WLJAXMLBXLDAFO-MNOVXSKESA-N -1 3 261.325 1.402 20 30 CDEDHM N#CC1(CNc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001606343704 1163868135 /nfs/dbraw/zinc/86/81/35/1163868135.db2.gz 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ZINC001588600474 1173086385 /nfs/dbraw/zinc/08/63/85/1173086385.db2.gz CIOIGRWMPJHAHR-UHFFFAOYSA-N -1 3 259.269 1.385 20 30 CDEDHM C=CCN(CCOC)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588632173 1173094568 /nfs/dbraw/zinc/09/45/68/1173094568.db2.gz LLNLEAPAGFIUKY-UHFFFAOYSA-N -1 3 274.328 1.209 20 30 CDEDHM C=CCN(CCOC)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588632173 1173094570 /nfs/dbraw/zinc/09/45/70/1173094570.db2.gz LLNLEAPAGFIUKY-UHFFFAOYSA-N -1 3 274.328 1.209 20 30 CDEDHM C=CCOCCCCOC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588682925 1173096468 /nfs/dbraw/zinc/09/64/68/1173096468.db2.gz UWCMRZUFZPEYKY-UHFFFAOYSA-N -1 3 291.311 1.334 20 30 CDEDHM C=CCOCCCCOC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588682925 1173096478 /nfs/dbraw/zinc/09/64/78/1173096478.db2.gz UWCMRZUFZPEYKY-UHFFFAOYSA-N -1 3 291.311 1.334 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001588725362 1173099484 /nfs/dbraw/zinc/09/94/84/1173099484.db2.gz BYINMJBQILHPSN-YPMHNXCESA-N -1 3 299.334 1.705 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001588725362 1173099492 /nfs/dbraw/zinc/09/94/92/1173099492.db2.gz BYINMJBQILHPSN-YPMHNXCESA-N -1 3 299.334 1.705 20 30 CDEDHM CC#CCCNC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588745932 1173102660 /nfs/dbraw/zinc/10/26/60/1173102660.db2.gz IRWGESJWLOPEHU-UHFFFAOYSA-N -1 3 297.362 1.556 20 30 CDEDHM CC#CCCNC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588745932 1173102665 /nfs/dbraw/zinc/10/26/65/1173102665.db2.gz IRWGESJWLOPEHU-UHFFFAOYSA-N -1 3 297.362 1.556 20 30 CDEDHM CC(=NN[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588776519 1173105297 /nfs/dbraw/zinc/10/52/97/1173105297.db2.gz QFSZGWPBVVQIOG-CYBMUJFWSA-N -1 3 286.339 1.359 20 30 CDEDHM CC(=NN[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588776519 1173105302 /nfs/dbraw/zinc/10/53/02/1173105302.db2.gz QFSZGWPBVVQIOG-CYBMUJFWSA-N -1 3 286.339 1.359 20 30 CDEDHM C[C@H](C#N)CNC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c21 ZINC001588934575 1173117216 /nfs/dbraw/zinc/11/72/16/1173117216.db2.gz 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1173672366 /nfs/dbraw/zinc/67/23/66/1173672366.db2.gz LHMDSHXIPBQLMA-MWLCHTKSSA-N -1 3 284.323 1.979 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)OC1(CC#N)CCC1 ZINC001591882568 1173735722 /nfs/dbraw/zinc/73/57/22/1173735722.db2.gz SWXCSZWZLBXVIH-UHFFFAOYSA-N -1 3 298.306 1.563 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)OC1(CC#N)CCC1 ZINC001591882568 1173735734 /nfs/dbraw/zinc/73/57/34/1173735734.db2.gz SWXCSZWZLBXVIH-UHFFFAOYSA-N -1 3 298.306 1.563 20 30 CDEDHM Cc1cnn(C)c1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001592302478 1173851720 /nfs/dbraw/zinc/85/17/20/1173851720.db2.gz JWNOMIRVRVRJRU-BQYQJAHWSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1cnn(C)c1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001592302478 1173851729 /nfs/dbraw/zinc/85/17/29/1173851729.db2.gz JWNOMIRVRVRJRU-BQYQJAHWSA-N -1 3 294.318 1.805 20 30 CDEDHM N#C[C@@H]1CC[C@@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592672902 1173964562 /nfs/dbraw/zinc/96/45/62/1173964562.db2.gz PPZCZMZDLYHNIZ-DGCLKSJQSA-N -1 3 297.318 1.645 20 30 CDEDHM N#C[C@@H]1CC[C@@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592672902 1173964565 /nfs/dbraw/zinc/96/45/65/1173964565.db2.gz PPZCZMZDLYHNIZ-DGCLKSJQSA-N -1 3 297.318 1.645 20 30 CDEDHM N#CCC1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001592673792 1173965367 /nfs/dbraw/zinc/96/53/67/1173965367.db2.gz OQPYKKHCBJDYRE-UHFFFAOYSA-N -1 3 283.295 1.244 20 30 CDEDHM N#CCC1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001592673792 1173965372 /nfs/dbraw/zinc/96/53/72/1173965372.db2.gz OQPYKKHCBJDYRE-UHFFFAOYSA-N -1 3 283.295 1.244 20 30 CDEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001592694051 1173973118 /nfs/dbraw/zinc/97/31/18/1173973118.db2.gz HLWOXUBSYVKZLU-UHFFFAOYSA-N -1 3 277.291 1.745 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H](O)C1CCC1 ZINC001592699342 1173973710 /nfs/dbraw/zinc/97/37/10/1173973710.db2.gz WMPZJNHXECQIJF-GFCCVEGCSA-N -1 3 284.323 1.311 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H](O)C1CCC1 ZINC001592699342 1173973720 /nfs/dbraw/zinc/97/37/20/1173973720.db2.gz WMPZJNHXECQIJF-GFCCVEGCSA-N -1 3 284.323 1.311 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCCCO ZINC001592699794 1173973761 /nfs/dbraw/zinc/97/37/61/1173973761.db2.gz NADUCMMLBXIKDE-UHFFFAOYSA-N -1 3 272.312 1.313 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCCCO ZINC001592699794 1173973768 /nfs/dbraw/zinc/97/37/68/1173973768.db2.gz NADUCMMLBXIKDE-UHFFFAOYSA-N -1 3 272.312 1.313 20 30 CDEDHM N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601047380 1174714071 /nfs/dbraw/zinc/71/40/71/1174714071.db2.gz OIJAJUVVAGYIEU-JFGNBEQYSA-N -1 3 286.287 1.445 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001602687243 1175352895 /nfs/dbraw/zinc/35/28/95/1175352895.db2.gz ATBPARWYWWMDFL-LBPRGKRZSA-N -1 3 299.334 1.164 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001602687243 1175352903 /nfs/dbraw/zinc/35/29/03/1175352903.db2.gz ATBPARWYWWMDFL-LBPRGKRZSA-N -1 3 299.334 1.164 20 30 CDEDHM C#C[C@H](C)N(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602690048 1175354303 /nfs/dbraw/zinc/35/43/03/1175354303.db2.gz QAKZCJKPQQUIIY-VIFPVBQESA-N -1 3 286.295 1.228 20 30 CDEDHM C#C[C@H](C)N(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602690048 1175354307 /nfs/dbraw/zinc/35/43/07/1175354307.db2.gz QAKZCJKPQQUIIY-VIFPVBQESA-N -1 3 286.295 1.228 20 30 CDEDHM C#C[C@H](NC(=O)c1cscc1-c1nnn[n-]1)C(C)(C)C ZINC001602690106 1175355872 /nfs/dbraw/zinc/35/58/72/1175355872.db2.gz YSEZSATXAGNQFI-JTQLQIEISA-N -1 3 289.364 1.706 20 30 CDEDHM C#C[C@H](NC(=O)c1cscc1-c1nn[n-]n1)C(C)(C)C ZINC001602690106 1175355879 /nfs/dbraw/zinc/35/58/79/1175355879.db2.gz YSEZSATXAGNQFI-JTQLQIEISA-N -1 3 289.364 1.706 20 30 CDEDHM C#C[C@@H]1CCCN(c2nccc(C)c2-c2nnn[n-]2)C1 ZINC001602696170 1175361511 /nfs/dbraw/zinc/36/15/11/1175361511.db2.gz DEMHDZPXYMSJAP-LLVKDONJSA-N -1 3 268.324 1.420 20 30 CDEDHM C#C[C@@H]1CCCN(c2nccc(C)c2-c2nn[n-]n2)C1 ZINC001602696170 1175361517 /nfs/dbraw/zinc/36/15/17/1175361517.db2.gz DEMHDZPXYMSJAP-LLVKDONJSA-N -1 3 268.324 1.420 20 30 CDEDHM C#CC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001602703544 1175367429 /nfs/dbraw/zinc/36/74/29/1175367429.db2.gz UVVOHTDGASQSNV-SNVBAGLBSA-N -1 3 254.297 1.111 20 30 CDEDHM C#CC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001602703544 1175367437 /nfs/dbraw/zinc/36/74/37/1175367437.db2.gz UVVOHTDGASQSNV-SNVBAGLBSA-N -1 3 254.297 1.111 20 30 CDEDHM C#CCCCNC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001602711250 1175369833 /nfs/dbraw/zinc/36/98/33/1175369833.db2.gz OQGNRVLIHKUIOK-UHFFFAOYSA-N -1 3 269.308 1.318 20 30 CDEDHM C=C[C@@H](CC)CC(=O)OCc1ccc(-c2nnn[n-]2)cn1 ZINC001602804524 1175407898 /nfs/dbraw/zinc/40/78/98/1175407898.db2.gz URQNAQKEQANCHL-JTQLQIEISA-N -1 3 287.323 1.907 20 30 CDEDHM C=C[C@@H](CC)CC(=O)OCc1ccc(-c2nn[n-]n2)cn1 ZINC001602804524 1175407903 /nfs/dbraw/zinc/40/79/03/1175407903.db2.gz URQNAQKEQANCHL-JTQLQIEISA-N -1 3 287.323 1.907 20 30 CDEDHM C=CCN(CCOC)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001602852546 1175434517 /nfs/dbraw/zinc/43/45/17/1175434517.db2.gz WYTJFOBDMNMTLO-UHFFFAOYSA-N -1 3 291.330 1.640 20 30 CDEDHM C=CCN1CCC(NC(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC001602898443 1175445770 /nfs/dbraw/zinc/44/57/70/1175445770.db2.gz TVKYZAHVMLXADO-ZDUSSCGKSA-N -1 3 295.383 1.286 20 30 CDEDHM C=CCOC[C@@H](NCc1cccc(C)c1F)C(=O)[O-] ZINC001602914857 1175451232 /nfs/dbraw/zinc/45/12/32/1175451232.db2.gz IMJHJTKGLDWHTC-GFCCVEGCSA-N -1 3 267.300 1.880 20 30 CDEDHM C[C@@H](C#N)N(C)C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602988304 1175472926 /nfs/dbraw/zinc/47/29/26/1175472926.db2.gz CTKTVNFTXKLPDG-JTQLQIEISA-N -1 3 296.334 1.269 20 30 CDEDHM C[C@@H](C#N)N(C)C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602988304 1175472929 /nfs/dbraw/zinc/47/29/29/1175472929.db2.gz CTKTVNFTXKLPDG-JTQLQIEISA-N -1 3 296.334 1.269 20 30 CDEDHM CC(C)[C@H](O)CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603231709 1175522361 /nfs/dbraw/zinc/52/23/61/1175522361.db2.gz ZCZOMBYWIVKSOG-GFCCVEGCSA-N -1 3 286.339 1.557 20 30 CDEDHM CC(C)[C@H](O)CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603231709 1175522364 /nfs/dbraw/zinc/52/23/64/1175522364.db2.gz ZCZOMBYWIVKSOG-GFCCVEGCSA-N -1 3 286.339 1.557 20 30 CDEDHM CC[C@H](C#N)N(CC)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001603978347 1175705012 /nfs/dbraw/zinc/70/50/12/1175705012.db2.gz YLWDMSBSAYZKSY-SECBINFHSA-N -1 3 290.352 1.692 20 30 CDEDHM CC[C@H](C#N)N(CC)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001603978347 1175705019 /nfs/dbraw/zinc/70/50/19/1175705019.db2.gz YLWDMSBSAYZKSY-SECBINFHSA-N -1 3 290.352 1.692 20 30 CDEDHM N#CC[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001606345675 1163872043 /nfs/dbraw/zinc/87/20/43/1163872043.db2.gz HBWBJGPQRHQNRS-JTQLQIEISA-N -1 3 269.312 1.392 20 30 CDEDHM N#CC[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001606345675 1163872051 /nfs/dbraw/zinc/87/20/51/1163872051.db2.gz HBWBJGPQRHQNRS-JTQLQIEISA-N -1 3 269.312 1.392 20 30 CDEDHM N#Cc1cncc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC001194102456 1164399742 /nfs/dbraw/zinc/39/97/42/1164399742.db2.gz HNSZNCRVQBZFMA-UHFFFAOYSA-N -1 3 282.185 1.342 20 30 CDEDHM N#Cc1cncc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC001194102456 1164399747 /nfs/dbraw/zinc/39/97/47/1164399747.db2.gz HNSZNCRVQBZFMA-UHFFFAOYSA-N -1 3 282.185 1.342 20 30 CDEDHM C=CCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001609053889 1164747972 /nfs/dbraw/zinc/74/79/72/1164747972.db2.gz TWDZVSHCXPZGJT-UHFFFAOYSA-N -1 3 273.296 1.780 20 30 CDEDHM C=CCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001609053889 1164747980 /nfs/dbraw/zinc/74/79/80/1164747980.db2.gz TWDZVSHCXPZGJT-UHFFFAOYSA-N -1 3 273.296 1.780 20 30 CDEDHM C[C@@H](CC#N)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609108259 1164772678 /nfs/dbraw/zinc/77/26/78/1164772678.db2.gz HOUPLISSNOSEGW-ZETCQYMHSA-N -1 3 273.256 1.489 20 30 CDEDHM C[C@@H](CC#N)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609108259 1164772684 /nfs/dbraw/zinc/77/26/84/1164772684.db2.gz HOUPLISSNOSEGW-ZETCQYMHSA-N -1 3 273.256 1.489 20 30 CDEDHM O=C([O-])[C@@H]1CSCCN(CC#Cc2ccccc2)C1 ZINC001610748126 1165426760 /nfs/dbraw/zinc/42/67/60/1165426760.db2.gz CNSXBXVVFPDNAJ-AWEZNQCLSA-N -1 3 275.373 1.788 20 30 CDEDHM Cc1cccc(C2(C(=O)N[C@H]3CCCN([O-])C3=O)CC2)c1 ZINC000816757744 833055233 /nfs/dbraw/zinc/05/52/33/833055233.db2.gz ABKIHXXWLFIGMB-ZDUSSCGKSA-N -1 3 288.347 1.523 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1CCCc2ccccc21 ZINC000816755433 833231506 /nfs/dbraw/zinc/23/15/06/833231506.db2.gz AIVHQQZDGOYEIK-ZIAGYGMSSA-N -1 3 288.347 1.603 20 30 CDEDHM N#C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)C1CCCC1 ZINC000921550511 833310748 /nfs/dbraw/zinc/31/07/48/833310748.db2.gz SIFJNOBSESDUSS-LLVKDONJSA-N -1 3 288.303 1.933 20 30 CDEDHM CCSc1ccccc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848139013 833315414 /nfs/dbraw/zinc/31/54/14/833315414.db2.gz WKCDHYREXYLTDC-LLVKDONJSA-N -1 3 294.376 1.909 20 30 CDEDHM Cc1ccccc1COCC(=O)N[C@H]1CCCN([O-])C1=O ZINC000857721609 828851212 /nfs/dbraw/zinc/85/12/12/828851212.db2.gz QBGSOLPXPUMEQF-ZDUSSCGKSA-N -1 3 292.335 1.008 20 30 CDEDHM C=CCO[N-]C(=O)CCc1ccc(OC)c(OC)c1 ZINC000837044912 828852731 /nfs/dbraw/zinc/85/27/31/828852731.db2.gz 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ZINC000816753971 829322596 /nfs/dbraw/zinc/32/25/96/829322596.db2.gz TXPPHYXLWIRCNW-LBPRGKRZSA-N -1 3 278.308 1.195 20 30 CDEDHM CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(F)cc1 ZINC000816758635 829324688 /nfs/dbraw/zinc/32/46/88/829324688.db2.gz UNDXCBAEWXYDGL-LBPRGKRZSA-N -1 3 294.326 1.600 20 30 CDEDHM CC#CCN1CCC(C)(NC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001045408607 829507367 /nfs/dbraw/zinc/50/73/67/829507367.db2.gz LBWUOTOOHAPNEK-UHFFFAOYSA-N -1 3 290.367 1.031 20 30 CDEDHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000882849248 829521584 /nfs/dbraw/zinc/52/15/84/829521584.db2.gz DYETWSVDLLGYSH-JTQLQIEISA-N -1 3 291.319 1.570 20 30 CDEDHM C=C[C@H](C)ONC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000845626463 829653819 /nfs/dbraw/zinc/65/38/19/829653819.db2.gz VGDKLCHMYKSQGQ-YFKPBYRVSA-N -1 3 279.222 1.129 20 30 CDEDHM C[C@@H](CC(=O)N[C@@H]1CCCN([O-])C1=O)c1ccncc1 ZINC000816754176 829814393 /nfs/dbraw/zinc/81/43/93/829814393.db2.gz YHVFGBQZBIARQL-CMPLNLGQSA-N -1 3 277.324 1.072 20 30 CDEDHM C=C(C)CCN1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001038190332 830056750 /nfs/dbraw/zinc/05/67/50/830056750.db2.gz BLNOXUAINXCHBH-GFCCVEGCSA-N -1 3 275.352 1.558 20 30 CDEDHM COCCCNC(=S)NN=C(C)c1cccc([O-])c1F ZINC000872331728 830196343 /nfs/dbraw/zinc/19/63/43/830196343.db2.gz SRSFJXOKBTYVRD-UHFFFAOYSA-N -1 3 299.371 1.756 20 30 CDEDHM C[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@H](C)O1 ZINC000834943441 830219869 /nfs/dbraw/zinc/21/98/69/830219869.db2.gz ADISQLIKULKGDN-QWRGUYRKSA-N -1 3 282.365 1.659 20 30 CDEDHM N#CC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000397764750 833617528 /nfs/dbraw/zinc/61/75/28/833617528.db2.gz SMCBNOGTADOCTN-SNVBAGLBSA-N -1 3 260.293 1.864 20 30 CDEDHM COCc1ccccc1C=C(C)C=NN1CC(=O)[N-]C1=O ZINC000814217232 830339860 /nfs/dbraw/zinc/33/98/60/830339860.db2.gz XPTHCRVBRXUVOQ-HNMISGIWSA-N -1 3 287.319 1.774 20 30 CDEDHM C=C[C@H](C)O[N-]C(=O)CCc1nc(-c2ccco2)no1 ZINC000846542847 830375711 /nfs/dbraw/zinc/37/57/11/830375711.db2.gz DGZYIPMEMWIETJ-VIFPVBQESA-N -1 3 277.280 1.885 20 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CCN=c1[n-]c(C(=O)N[C@@](C)(C#N)CC)cs1 ZINC000597038117 343433879 /nfs/dbraw/zinc/43/38/79/343433879.db2.gz IQTJVCMNGFAFSQ-LLVKDONJSA-N -1 3 252.343 1.419 20 30 CDEDHM C=CCOCCCC(=O)Nc1cccc2n[n-]nc21 ZINC000640379040 362230368 /nfs/dbraw/zinc/23/03/68/362230368.db2.gz BOCNBUAFKFBGTE-UHFFFAOYSA-N -1 3 260.297 1.879 20 30 CDEDHM CC[C@H](O)CC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000126837449 187266179 /nfs/dbraw/zinc/26/61/79/187266179.db2.gz PJABYJUJDYZFMW-NSHDSACASA-N -1 3 286.328 1.137 20 30 CDEDHM COc1ccc([O-])c(C(=O)N([C@@H](C)C#N)C2CC2)c1 ZINC000598125237 343717789 /nfs/dbraw/zinc/71/77/89/343717789.db2.gz HMSPDQWQDBKHAZ-VIFPVBQESA-N -1 3 260.293 1.917 20 30 CDEDHM CC(=O)Nc1ccc([O-])c(C(=O)N([C@H](C)C#N)C2CC2)c1 ZINC000598132521 343723298 /nfs/dbraw/zinc/72/32/98/343723298.db2.gz TWJZBCDQQFSJRL-SECBINFHSA-N -1 3 287.319 1.867 20 30 CDEDHM N#C[C@@]1(NC(=O)c2cc(F)cc3nn[n-]c32)CCSC1 ZINC000619723781 349872983 /nfs/dbraw/zinc/87/29/83/349872983.db2.gz TUFJQSMNRITEGB-LBPRGKRZSA-N -1 3 291.311 1.226 20 30 CDEDHM N#C[C@@]1(NC(=O)c2cc(F)cc3[n-]nnc32)CCSC1 ZINC000619723781 349872987 /nfs/dbraw/zinc/87/29/87/349872987.db2.gz TUFJQSMNRITEGB-LBPRGKRZSA-N -1 3 291.311 1.226 20 30 CDEDHM N#C[C@@]1(NC(=O)c2cc(F)cc3n[n-]nc32)CCSC1 ZINC000619723781 349872988 /nfs/dbraw/zinc/87/29/88/349872988.db2.gz TUFJQSMNRITEGB-LBPRGKRZSA-N -1 3 291.311 1.226 20 30 CDEDHM N#CCN(C(=O)c1cc(F)c[n-]c1=O)C1CCCC1 ZINC000602102663 344335149 /nfs/dbraw/zinc/33/51/49/344335149.db2.gz KJJPEWZHTNSQBJ-UHFFFAOYSA-N -1 3 263.272 1.835 20 30 CDEDHM COCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151071832 345293345 /nfs/dbraw/zinc/29/33/45/345293345.db2.gz ZIYBLGOUFULYCJ-UHFFFAOYSA-N -1 3 286.328 1.402 20 30 CDEDHM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000617474771 345553399 /nfs/dbraw/zinc/55/33/99/345553399.db2.gz WPHVVCMDEZRHFQ-QWRGUYRKSA-N -1 3 295.364 1.047 20 30 CDEDHM COc1ccc2[nH]cc(CCN=c3[n-]ccnc3C#N)c2c1 ZINC000609586553 345819685 /nfs/dbraw/zinc/81/96/85/345819685.db2.gz SYAIKLZAHADJRZ-UHFFFAOYSA-N -1 3 293.330 1.915 20 30 CDEDHM N#CC1(c2nc(-c3cc(=O)[n-]cn3)no2)CCCCC1 ZINC000351375131 346443044 /nfs/dbraw/zinc/44/30/44/346443044.db2.gz RPNBFNVIQWZBMA-UHFFFAOYSA-N -1 3 271.280 1.958 20 30 CDEDHM CN(C)C1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000601448507 349962510 /nfs/dbraw/zinc/96/25/10/349962510.db2.gz JOMINEUATPXUEC-UHFFFAOYSA-N -1 3 297.355 1.070 20 30 CDEDHM C=CC[C@@H](CO)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000613254624 347542665 /nfs/dbraw/zinc/54/26/65/347542665.db2.gz ZUNFAYWCXDAUAV-SECBINFHSA-N -1 3 275.308 1.183 20 30 CDEDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)CCCCC#N)C(=O)OC ZINC000068876191 347568273 /nfs/dbraw/zinc/56/82/73/347568273.db2.gz LSAQXYBLDGWYEU-QWRGUYRKSA-N -1 3 290.385 1.187 20 30 CDEDHM CCN(CCNC(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000614298064 348064313 /nfs/dbraw/zinc/06/43/13/348064313.db2.gz AEQYUMAOTAIDBO-UHFFFAOYSA-N -1 3 273.336 1.478 20 30 CDEDHM CC(C)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614295207 348072532 /nfs/dbraw/zinc/07/25/32/348072532.db2.gz GNWTTWNKLAGCLV-UHFFFAOYSA-N -1 3 273.336 1.430 20 30 CDEDHM COc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cn1 ZINC000041561889 348503858 /nfs/dbraw/zinc/50/38/58/348503858.db2.gz JFXQCZOBCQKEEA-LBPRGKRZSA-N -1 3 282.303 1.987 20 30 CDEDHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000126568577 351593965 /nfs/dbraw/zinc/59/39/65/351593965.db2.gz MVEFSRZUIVKXOI-GMSGAONNSA-N -1 3 270.741 1.898 20 30 CDEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cccs2)nn1 ZINC000632635812 363112071 /nfs/dbraw/zinc/11/20/71/363112071.db2.gz NGCJORPDFBWRCM-UHFFFAOYSA-N -1 3 298.393 1.394 20 30 CDEDHM C=CCCCS(=O)(=O)[N-][C@@H]1COc2ccccc2[C@@H]1O ZINC000292418183 198280567 /nfs/dbraw/zinc/28/05/67/198280567.db2.gz UZJHAVZZJVRTCX-OCCSQVGLSA-N -1 3 297.376 1.367 20 30 CDEDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1O ZINC000188126505 357849318 /nfs/dbraw/zinc/84/93/18/357849318.db2.gz NFQRLQPUBIWMAK-NEPJUHHUSA-N -1 3 298.339 1.135 20 30 CDEDHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC#N)c(F)cc1F ZINC000084674120 358241373 /nfs/dbraw/zinc/24/13/73/358241373.db2.gz HXNOVDBCLAMZBD-MRVPVSSYSA-N -1 3 274.292 1.854 20 30 CDEDHM COC(=O)c1ccc(C)c(NC(=O)c2ccc(C#N)[nH]2)c1[O-] ZINC000436490253 358748482 /nfs/dbraw/zinc/74/84/82/358748482.db2.gz OQDYRMMLZFURRJ-UHFFFAOYSA-N -1 3 299.286 1.939 20 30 CDEDHM CC(C)[C@H](CO)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000344854296 359572737 /nfs/dbraw/zinc/57/27/37/359572737.db2.gz MILHYJWQFJAPPB-VIFPVBQESA-N -1 3 288.394 1.163 20 30 CDEDHM C=CCCS(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1 ZINC000279515548 359589453 /nfs/dbraw/zinc/58/94/53/359589453.db2.gz SDOOBVLGURNUBF-UHFFFAOYSA-N -1 3 285.247 1.084 20 30 CDEDHM CC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000632448802 360082021 /nfs/dbraw/zinc/08/20/21/360082021.db2.gz YKXPFGCPCAQYGY-UHFFFAOYSA-N -1 3 298.751 1.612 20 30 CDEDHM C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000448936045 360690989 /nfs/dbraw/zinc/69/09/89/360690989.db2.gz KYMATDAGNARJCR-YMTOWFKASA-N -1 3 282.307 1.033 20 30 CDEDHM C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000448936045 360690997 /nfs/dbraw/zinc/69/09/97/360690997.db2.gz KYMATDAGNARJCR-YMTOWFKASA-N -1 3 282.307 1.033 20 30 CDEDHM C=C[C@](C)(O)CC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000431765188 361045529 /nfs/dbraw/zinc/04/55/29/361045529.db2.gz LLFUYIOSOUPQCX-ZDUSSCGKSA-N -1 3 273.296 1.132 20 30 CDEDHM C=C[C@](C)(O)CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000431765188 361045531 /nfs/dbraw/zinc/04/55/31/361045531.db2.gz LLFUYIOSOUPQCX-ZDUSSCGKSA-N -1 3 273.296 1.132 20 30 CDEDHM C=C[C@](C)(O)CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000431765188 361045534 /nfs/dbraw/zinc/04/55/34/361045534.db2.gz LLFUYIOSOUPQCX-ZDUSSCGKSA-N -1 3 273.296 1.132 20 30 CDEDHM COc1ccc(C(=O)N2CCSC[C@H]2C#N)c([O-])c1 ZINC000436615528 361542774 /nfs/dbraw/zinc/54/27/74/361542774.db2.gz FVNIVWPFGGKLSR-SECBINFHSA-N -1 3 278.333 1.482 20 30 CDEDHM CC(C)(O)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000130635616 368039173 /nfs/dbraw/zinc/03/91/73/368039173.db2.gz KWUPDDOSWHLKHG-UHFFFAOYSA-N -1 3 288.756 1.261 20 30 CDEDHM CCCN1CCC([N-]S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000330676769 203106210 /nfs/dbraw/zinc/10/62/10/203106210.db2.gz UQMXAQPXQXVLGU-UHFFFAOYSA-N -1 3 297.380 1.304 20 30 CDEDHM COC(=O)Cc1n[n-]c(NC(=O)c2cccc3[nH]ccc32)n1 ZINC000081756020 369992916 /nfs/dbraw/zinc/99/29/16/369992916.db2.gz MAUSRFXEJSIANJ-UHFFFAOYSA-N -1 3 299.290 1.638 20 30 CDEDHM COC(=O)Cc1nnc(NC(=O)c2cccc3[nH]ccc32)[n-]1 ZINC000081756020 369992918 /nfs/dbraw/zinc/99/29/18/369992918.db2.gz MAUSRFXEJSIANJ-UHFFFAOYSA-N -1 3 299.290 1.638 20 30 CDEDHM COC(=O)Cc1nc(NC(=O)c2cccc3[nH]ccc32)n[n-]1 ZINC000081756020 369992922 /nfs/dbraw/zinc/99/29/22/369992922.db2.gz MAUSRFXEJSIANJ-UHFFFAOYSA-N -1 3 299.290 1.638 20 30 CDEDHM C=CCN(C[C@H](O)COc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000568064663 371202542 /nfs/dbraw/zinc/20/25/42/371202542.db2.gz LLFHVXZUZODREG-AWEZNQCLSA-N -1 3 291.347 1.775 20 30 CDEDHM C=C[C@](C)(CCOC)C(=O)N=c1[nH][n-]c(CC)c1C ZINC000578642273 372529334 /nfs/dbraw/zinc/52/93/34/372529334.db2.gz YIZIKCXYTVNJKF-CQSZACIVSA-N -1 3 265.357 1.870 20 30 CDEDHM CC(C)(C)n1cc(C([O-])=C(C#N)c2ccccn2)nn1 ZINC000192195816 373593477 /nfs/dbraw/zinc/59/34/77/373593477.db2.gz ANKNHFLNQAMCAT-SNVBAGLBSA-N -1 3 269.308 1.918 20 30 CDEDHM CCSc1nnc([N-]C(=O)c2cnn(C)c2C#N)s1 ZINC000355036106 373819605 /nfs/dbraw/zinc/81/96/05/373819605.db2.gz HVGRANRANZBBQQ-UHFFFAOYSA-N -1 3 294.365 1.508 20 30 CDEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)N1CCCC1 ZINC000230343708 374343106 /nfs/dbraw/zinc/34/31/06/374343106.db2.gz BUWNSCAGMOEZOD-SNVBAGLBSA-N -1 3 299.421 1.382 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc1 ZINC000426301245 247001970 /nfs/dbraw/zinc/00/19/70/247001970.db2.gz CDQVXSWKSJMZFM-UHFFFAOYSA-N -1 3 299.315 1.630 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc1 ZINC000426301245 247001976 /nfs/dbraw/zinc/00/19/76/247001976.db2.gz CDQVXSWKSJMZFM-UHFFFAOYSA-N -1 3 299.315 1.630 20 30 CDEDHM C=CCCS(=O)(=O)[N-]c1cccc(C(=O)OC)c1 ZINC000123050430 375821503 /nfs/dbraw/zinc/82/15/03/375821503.db2.gz FOFTUMGDTLMGGT-UHFFFAOYSA-N -1 3 269.322 1.791 20 30 CDEDHM COCc1nnc(Sc2nccc(C#N)c2[N+](=O)[O-])[n-]1 ZINC000354415150 376717311 /nfs/dbraw/zinc/71/73/11/376717311.db2.gz JCERKBAGZLBCBH-UHFFFAOYSA-N -1 3 292.280 1.277 20 30 CDEDHM COCc1n[n-]c(Sc2nccc(C#N)c2[N+](=O)[O-])n1 ZINC000354415150 376717318 /nfs/dbraw/zinc/71/73/18/376717318.db2.gz JCERKBAGZLBCBH-UHFFFAOYSA-N -1 3 292.280 1.277 20 30 CDEDHM COCc1nc(Sc2nccc(C#N)c2[N+](=O)[O-])n[n-]1 ZINC000354415150 376717329 /nfs/dbraw/zinc/71/73/29/376717329.db2.gz JCERKBAGZLBCBH-UHFFFAOYSA-N -1 3 292.280 1.277 20 30 CDEDHM COc1cccc(C(=O)[N-]c2ccncc2C#N)c1[N+](=O)[O-] ZINC000435874703 248204115 /nfs/dbraw/zinc/20/41/15/248204115.db2.gz MVUQNWOFPSZIFS-UHFFFAOYSA-N -1 3 298.258 1.544 20 30 CDEDHM COC(=O)c1cccc(NC(=O)c2ccc(C#N)[nH]2)c1[O-] ZINC000436802518 249460818 /nfs/dbraw/zinc/46/08/18/249460818.db2.gz CRMDGNUQXWAYFZ-UHFFFAOYSA-N -1 3 285.259 1.631 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1C ZINC000173123784 377959220 /nfs/dbraw/zinc/95/92/20/377959220.db2.gz CDBOAPIYWXFSFH-SNVBAGLBSA-N -1 3 287.363 1.807 20 30 CDEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccco1 ZINC000280734338 377972647 /nfs/dbraw/zinc/97/26/47/377972647.db2.gz KIYUUCHWVKCUOL-PWSUYJOCSA-N -1 3 271.338 1.539 20 30 CDEDHM CC1([N-]S(=O)(=O)c2cccnc2C#N)CCC1 ZINC000232807682 378111858 /nfs/dbraw/zinc/11/18/58/378111858.db2.gz CCICHJADSKFWTJ-UHFFFAOYSA-N -1 3 251.311 1.174 20 30 CDEDHM C#C[C@H](C)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000193517962 378301351 /nfs/dbraw/zinc/30/13/51/378301351.db2.gz TWTZBNNDJZUHDV-QMMMGPOBSA-N -1 3 285.752 1.843 20 30 CDEDHM C#CCO[N-]C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000291024220 378425847 /nfs/dbraw/zinc/42/58/47/378425847.db2.gz AQOHYGDPANNKEN-UHFFFAOYSA-N -1 3 272.304 1.185 20 30 CDEDHM C=CCOc1ccc(CC(=O)[N-]OC(C)(C)CO)cc1 ZINC000296739430 378744538 /nfs/dbraw/zinc/74/45/38/378744538.db2.gz ARGILARWFRTXBZ-UHFFFAOYSA-N -1 3 279.336 1.613 20 30 CDEDHM COC(=O)CSCC/N=C/c1ccccc1[O-] ZINC000105570368 390512959 /nfs/dbraw/zinc/51/29/59/390512959.db2.gz BBWTUIHJGABDLG-MDWZMJQESA-N -1 3 253.323 1.717 20 30 CDEDHM C=CCn1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)nn1 ZINC000648253129 391004466 /nfs/dbraw/zinc/00/44/66/391004466.db2.gz DNXIBJIJGRSTBF-UHFFFAOYSA-N -1 3 292.368 1.865 20 30 CDEDHM C=C(C)CCN1CCN(c2nc(=N)[n-]s2)CC1 ZINC000351751594 391090756 /nfs/dbraw/zinc/09/07/56/391090756.db2.gz JZKSNGBECWAYHD-UHFFFAOYSA-N -1 3 253.375 1.039 20 30 CDEDHM COC[C@H]([N-]S(=O)(=O)CCCCC#N)c1ccco1 ZINC000175356573 391133858 /nfs/dbraw/zinc/13/38/58/391133858.db2.gz IIPOBYAHYOEXIV-NSHDSACASA-N -1 3 286.353 1.580 20 30 CDEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000451813373 391254883 /nfs/dbraw/zinc/25/48/83/391254883.db2.gz VSORNIWGESHMRD-UHFFFAOYSA-N -1 3 258.343 1.782 20 30 CDEDHM CCc1ncc(S(=O)(=O)[N-]CC(C)(C)CC#N)s1 ZINC000416530402 391315829 /nfs/dbraw/zinc/31/58/29/391315829.db2.gz LZDCYASLRWPDNW-UHFFFAOYSA-N -1 3 287.410 1.924 20 30 CDEDHM N#CC1(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)CCC1 ZINC000335621236 391456339 /nfs/dbraw/zinc/45/63/39/391456339.db2.gz HMOCTYBMPXROCD-UHFFFAOYSA-N -1 3 286.303 1.937 20 30 CDEDHM C#Cc1cccc(N(CC)C(=O)CC[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000103101914 391529860 /nfs/dbraw/zinc/52/98/60/391529860.db2.gz YBMSCUGXUFPODI-ZDUSSCGKSA-N -1 3 299.330 1.009 20 30 CDEDHM CCn1c(=O)[n-]nc1S[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000329869775 391791909 /nfs/dbraw/zinc/79/19/09/391791909.db2.gz ZJFDQGLXJZETHB-MRVPVSSYSA-N -1 3 295.368 1.887 20 30 CDEDHM CCN1C[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C[C@@H]1C ZINC000442677660 392451684 /nfs/dbraw/zinc/45/16/84/392451684.db2.gz JZISEXBSYCEACU-RYUDHWBXSA-N -1 3 287.363 1.819 20 30 CDEDHM N#Cc1ccc(CN2CCSC[C@H]2C(=O)[O-])cc1 ZINC000215276194 140162424 /nfs/dbraw/zinc/16/24/24/140162424.db2.gz MWJVBGBQWDMSLY-LBPRGKRZSA-N -1 3 262.334 1.560 20 30 CDEDHM C=CCC[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)[O-] ZINC000656586340 413472477 /nfs/dbraw/zinc/47/24/77/413472477.db2.gz NYLRKWPZFPIXFY-NWDGAFQWSA-N -1 3 297.399 1.578 20 30 CDEDHM C#C[C@@H](C)OC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588326491 1173027029 /nfs/dbraw/zinc/02/70/29/1173027029.db2.gz NJFYZHUCBCCEPH-SNVBAGLBSA-N -1 3 270.292 1.662 20 30 CDEDHM C#C[C@@H](C)OC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588326491 1173027037 /nfs/dbraw/zinc/02/70/37/1173027037.db2.gz NJFYZHUCBCCEPH-SNVBAGLBSA-N -1 3 270.292 1.662 20 30 CDEDHM C#C[C@H](C)OC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588326490 1173028228 /nfs/dbraw/zinc/02/82/28/1173028228.db2.gz NJFYZHUCBCCEPH-JTQLQIEISA-N -1 3 270.292 1.662 20 30 CDEDHM C#C[C@H](C)OC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588326490 1173028233 /nfs/dbraw/zinc/02/82/33/1173028233.db2.gz NJFYZHUCBCCEPH-JTQLQIEISA-N -1 3 270.292 1.662 20 30 CDEDHM C#CC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001588337946 1173043372 /nfs/dbraw/zinc/04/33/72/1173043372.db2.gz ZCMFHITYHXANJU-SECBINFHSA-N -1 3 272.287 1.250 20 30 CDEDHM C#CC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001588337946 1173043378 /nfs/dbraw/zinc/04/33/78/1173043378.db2.gz ZCMFHITYHXANJU-SECBINFHSA-N -1 3 272.287 1.250 20 30 CDEDHM C=CCCn1cc(C[N-]c2nnc([C@H]3CCCO3)o2)nn1 ZINC000656773082 413642819 /nfs/dbraw/zinc/64/28/19/413642819.db2.gz URKFLKDXLWKIDN-LLVKDONJSA-N -1 3 290.327 1.701 20 30 CDEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C#N)cc1C ZINC000040362965 174246986 /nfs/dbraw/zinc/24/69/86/174246986.db2.gz GRTDMLBUHUANQQ-VIFPVBQESA-N -1 3 283.309 1.402 20 30 CDEDHM C=C[C@@H](C(=O)OC)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588468505 1173069135 /nfs/dbraw/zinc/06/91/35/1173069135.db2.gz UEGYLHHVODHTPK-JTQLQIEISA-N -1 3 293.352 1.088 20 30 CDEDHM C=C[C@@H](C(=O)OC)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588468505 1173069147 /nfs/dbraw/zinc/06/91/47/1173069147.db2.gz UEGYLHHVODHTPK-JTQLQIEISA-N -1 3 293.352 1.088 20 30 CDEDHM C=CC(C)(C)CCNc1cc(-c2nnn[n-]2)cnn1 ZINC001588488636 1173069421 /nfs/dbraw/zinc/06/94/21/1173069421.db2.gz KKIKMZHKXYRLDK-UHFFFAOYSA-N -1 3 259.317 1.671 20 30 CDEDHM 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ZINC000735973899 575544586 /nfs/dbraw/zinc/54/45/86/575544586.db2.gz WEONVAWDSGGKBZ-UHFFFAOYSA-N -1 3 257.228 1.384 20 30 CDEDHM C=C(Cl)CNC(=O)c1nnc2ccccc2c1[O-] ZINC000736245599 575602300 /nfs/dbraw/zinc/60/23/00/575602300.db2.gz YLRNSRFBEANWKQ-UHFFFAOYSA-N -1 3 263.684 1.818 20 30 CDEDHM C[C@@H](C(=O)N1CCCCCC1)n1ccc(C=N[O-])nc1=O ZINC000736307108 575617989 /nfs/dbraw/zinc/61/79/89/575617989.db2.gz NZFPYGOVEMBRGT-NSHDSACASA-N -1 3 292.339 1.015 20 30 CDEDHM O=c1nc(C=N[O-])ccn1Cc1ccc2c(c1)CCC2 ZINC000736307058 575618056 /nfs/dbraw/zinc/61/80/56/575618056.db2.gz LRNWSVPXPMVSBQ-UHFFFAOYSA-N -1 3 269.304 1.588 20 30 CDEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000736576067 575695265 /nfs/dbraw/zinc/69/52/65/575695265.db2.gz SLRLBGOEOXONMZ-JTNHKYCSSA-N -1 3 283.372 1.082 20 30 CDEDHM CCOCC(C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736610358 575704733 /nfs/dbraw/zinc/70/47/33/575704733.db2.gz XIMGTHIKCNSSDQ-UHFFFAOYSA-N -1 3 260.301 1.691 20 30 CDEDHM CCOCC(C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736610358 575704735 /nfs/dbraw/zinc/70/47/35/575704735.db2.gz XIMGTHIKCNSSDQ-UHFFFAOYSA-N -1 3 260.301 1.691 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cnc(C#N)cn1 ZINC000736816252 575757615 /nfs/dbraw/zinc/75/76/15/575757615.db2.gz CDTIYHWXEHMAAH-UHFFFAOYSA-N -1 3 292.306 1.165 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cnc(C#N)cn1 ZINC000736816252 575757617 /nfs/dbraw/zinc/75/76/17/575757617.db2.gz CDTIYHWXEHMAAH-UHFFFAOYSA-N -1 3 292.306 1.165 20 30 CDEDHM O=S(=O)(CC/N=C/c1ccc(O)c([O-])c1O)CC1CC1 ZINC000764412753 575905247 /nfs/dbraw/zinc/90/52/47/575905247.db2.gz DHOLEAXAJYUHJJ-VGOFMYFVSA-N -1 3 299.348 1.047 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1sccc1Br ZINC000764701504 575935692 /nfs/dbraw/zinc/93/56/92/575935692.db2.gz ZIWILJFBVACJMD-UHFFFAOYSA-N -1 3 297.199 1.784 20 30 CDEDHM CC#CCCOC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000765466339 576026817 /nfs/dbraw/zinc/02/68/17/576026817.db2.gz NHFKDGHHGDMANE-UHFFFAOYSA-N -1 3 257.245 1.140 20 30 CDEDHM [O-]c1c(O)cccc1C=NNCCOCC(F)(F)F ZINC000765592949 576042092 /nfs/dbraw/zinc/04/20/92/576042092.db2.gz GWWKHKBVMIVQKP-UHFFFAOYSA-N -1 3 278.230 1.600 20 30 CDEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCC(CO)CC2)cc1 ZINC000739106350 576165158 /nfs/dbraw/zinc/16/51/58/576165158.db2.gz RLGJYHGEGRDOAO-CQSZACIVSA-N -1 3 274.320 1.388 20 30 CDEDHM Cc1cncc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)c1 ZINC000767377328 576185621 /nfs/dbraw/zinc/18/56/21/576185621.db2.gz ISQVNTQXLVABSV-UHFFFAOYSA-N -1 3 297.322 1.608 20 30 CDEDHM CC(C)(C#N)c1ccccc1Cn1ccc(C=N[O-])nc1=O ZINC000767827428 576232202 /nfs/dbraw/zinc/23/22/02/576232202.db2.gz KFRHSXGFHMVFFT-UHFFFAOYSA-N -1 3 296.330 1.901 20 30 CDEDHM Cc1[nH]nc(C(=O)[N-]c2ncc(C#N)s2)c1[N+](=O)[O-] ZINC000759632334 576412970 /nfs/dbraw/zinc/41/29/70/576412970.db2.gz FSVOTHCZYIDQPV-UHFFFAOYSA-N -1 3 278.253 1.207 20 30 CDEDHM N#CC(=C([O-])c1ccc(N)c([N+](=O)[O-])c1)c1ccncn1 ZINC000760352250 576479461 /nfs/dbraw/zinc/47/94/61/576479461.db2.gz JNARSOQJEYQUOQ-VIFPVBQESA-N -1 3 283.247 1.457 20 30 CDEDHM N#CCc1ccccc1C(=O)OCc1cc(=O)c([O-])co1 ZINC000761066023 576540223 /nfs/dbraw/zinc/54/02/23/576540223.db2.gz ZOZNYKBXNAUKRP-UHFFFAOYSA-N -1 3 285.255 1.768 20 30 CDEDHM C#CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000761984422 576610666 /nfs/dbraw/zinc/61/06/66/576610666.db2.gz YZJRNUOWURROSF-ZDUSSCGKSA-N -1 3 292.766 1.759 20 30 CDEDHM COCC(=N[N-]S(=O)(=O)CCc1ccccc1)C(C)C ZINC000743448957 576640688 /nfs/dbraw/zinc/64/06/88/576640688.db2.gz ISCSJUOPKFPQAU-UHFFFAOYSA-N -1 3 298.408 1.807 20 30 CDEDHM COc1cccc([O-])c1/C=N\CCc1ccnn1C ZINC000762413621 576643708 /nfs/dbraw/zinc/64/37/08/576643708.db2.gz QZMIQFYHMPQPJE-GDNBJRDFSA-N -1 3 259.309 1.796 20 30 CDEDHM COC(=O)[C@@H]1CCCC[C@H]1OC(=O)c1ccc(C#N)[n-]1 ZINC000755793886 576961548 /nfs/dbraw/zinc/96/15/48/576961548.db2.gz RUUAWABRCMSLOE-ZYHUDNBSSA-N -1 3 276.292 1.775 20 30 CDEDHM CC(=NNC(=N)N)c1ccc(Br)cc1[O-] ZINC000756816464 577006296 /nfs/dbraw/zinc/00/62/96/577006296.db2.gz UWFUUGWGEDJXBA-UHFFFAOYSA-N -1 3 271.118 1.362 20 30 CDEDHM Cc1nc(C)c(CC(=O)N(CCC#N)CC(C)C)c(=O)[n-]1 ZINC000751379255 577036744 /nfs/dbraw/zinc/03/67/44/577036744.db2.gz AVYVFPDLXSJXJQ-UHFFFAOYSA-N -1 3 290.367 1.740 20 30 CDEDHM N#CCc1ccccc1CC(=O)[N-]OCC(F)F ZINC000759348665 577172530 /nfs/dbraw/zinc/17/25/30/577172530.db2.gz CCEQZMOJDDGHQK-UHFFFAOYSA-N -1 3 254.236 1.608 20 30 CDEDHM COc1ccc(C#N)cc1CN1CC[C@@H](C(=O)[O-])C1 ZINC000131427217 597351235 /nfs/dbraw/zinc/35/12/35/597351235.db2.gz ZUFFKFXMSOHVAE-LLVKDONJSA-N -1 3 260.293 1.473 20 30 CDEDHM CC[C@H](C(=O)[O-])N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000828603779 601005928 /nfs/dbraw/zinc/00/59/28/601005928.db2.gz OZSMJZUQPGRZNN-CABCVRRESA-N -1 3 287.363 1.732 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@](C)(C#N)C(C)C ZINC000826245894 607678650 /nfs/dbraw/zinc/67/86/50/607678650.db2.gz LLEXVTSSOPQSHP-OAHLLOKOSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@](C)(C#N)C(C)C ZINC000826245894 607678651 /nfs/dbraw/zinc/67/86/51/607678651.db2.gz LLEXVTSSOPQSHP-OAHLLOKOSA-N -1 3 298.350 1.843 20 30 CDEDHM C(=NN[C@H]1CCCSC1)c1ccccc1-c1nnn[n-]1 ZINC001602745956 1175381919 /nfs/dbraw/zinc/38/19/19/1175381919.db2.gz ZEOFQVSCKSVSLW-NSHDSACASA-N -1 3 288.380 1.686 20 30 CDEDHM C(=NN[C@H]1CCCSC1)c1ccccc1-c1nn[n-]n1 ZINC001602745956 1175381921 /nfs/dbraw/zinc/38/19/21/1175381921.db2.gz ZEOFQVSCKSVSLW-NSHDSACASA-N -1 3 288.380 1.686 20 30 CDEDHM C=C1CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001602776660 1175396434 /nfs/dbraw/zinc/39/64/34/1175396434.db2.gz GYAMIKFCYVUICK-UHFFFAOYSA-N -1 3 276.231 1.290 20 30 CDEDHM C=C1CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001602776660 1175396440 /nfs/dbraw/zinc/39/64/40/1175396440.db2.gz GYAMIKFCYVUICK-UHFFFAOYSA-N -1 3 276.231 1.290 20 30 CDEDHM CCC[C@H](C#N)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821009537 606542342 /nfs/dbraw/zinc/54/23/42/606542342.db2.gz VDAXHEXISKUOKE-GFCCVEGCSA-N -1 3 284.323 1.218 20 30 CDEDHM CCC[C@H](C#N)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821009537 606542343 /nfs/dbraw/zinc/54/23/43/606542343.db2.gz VDAXHEXISKUOKE-GFCCVEGCSA-N -1 3 284.323 1.218 20 30 CDEDHM CN(CC#N)CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821592887 606893497 /nfs/dbraw/zinc/89/34/97/606893497.db2.gz ZZUSZSKVOIFPMP-UHFFFAOYSA-N -1 3 272.312 1.091 20 30 CDEDHM CN(CC#N)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821592887 606893495 /nfs/dbraw/zinc/89/34/95/606893495.db2.gz ZZUSZSKVOIFPMP-UHFFFAOYSA-N -1 3 272.312 1.091 20 30 CDEDHM C#CCCCCNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000704257845 606955210 /nfs/dbraw/zinc/95/52/10/606955210.db2.gz RCIPFGSIISMNDH-UHFFFAOYSA-N -1 3 269.308 1.400 20 30 CDEDHM C#CCCCCNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000704257845 606955212 /nfs/dbraw/zinc/95/52/12/606955212.db2.gz RCIPFGSIISMNDH-UHFFFAOYSA-N -1 3 269.308 1.400 20 30 CDEDHM N#Cc1cc(NC(=O)[C@@H]2CC23CCC3)ccc1-c1nnn[n-]1 ZINC000822823599 607144634 /nfs/dbraw/zinc/14/46/34/607144634.db2.gz TYYODWJBSZPRIV-LBPRGKRZSA-N -1 3 294.318 1.867 20 30 CDEDHM N#Cc1cc(NC(=O)[C@@H]2CC23CCC3)ccc1-c1nn[n-]n1 ZINC000822823599 607144636 /nfs/dbraw/zinc/14/46/36/607144636.db2.gz TYYODWJBSZPRIV-LBPRGKRZSA-N -1 3 294.318 1.867 20 30 CDEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc[nH]n1 ZINC000823861521 607885724 /nfs/dbraw/zinc/88/57/24/607885724.db2.gz LNHYVBHHFQCVGU-UHFFFAOYSA-N -1 3 254.257 1.036 20 30 CDEDHM CC(N=Nc1cnccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823963229 608094840 /nfs/dbraw/zinc/09/48/40/608094840.db2.gz YPIUNOGNCNQGOT-UHFFFAOYSA-N -1 3 286.324 1.554 20 30 CDEDHM CC#CCNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823937163 608099217 /nfs/dbraw/zinc/09/92/17/608099217.db2.gz KTJNTJIVHRTXTH-UHFFFAOYSA-N -1 3 256.269 1.012 20 30 CDEDHM CC#CCNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823937163 608099218 /nfs/dbraw/zinc/09/92/18/608099218.db2.gz KTJNTJIVHRTXTH-UHFFFAOYSA-N -1 3 256.269 1.012 20 30 CDEDHM c1cc(N=NC2CCCOCC2)cc(-c2nnn[n-]2)c1 ZINC000826517075 608884602 /nfs/dbraw/zinc/88/46/02/608884602.db2.gz PGUIOHTUVGRNRW-UHFFFAOYSA-N -1 3 272.312 1.835 20 30 CDEDHM c1cc(N=NC2CCCOCC2)cc(-c2nn[n-]n2)c1 ZINC000826517075 608884606 /nfs/dbraw/zinc/88/46/06/608884606.db2.gz PGUIOHTUVGRNRW-UHFFFAOYSA-N -1 3 272.312 1.835 20 30 CDEDHM CC(=NN[C@@H](C)CC#N)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953628 609277257 /nfs/dbraw/zinc/27/72/57/609277257.db2.gz JKKVCEZAWJQAIN-QMMMGPOBSA-N -1 3 287.302 1.622 20 30 CDEDHM CC(=NN[C@@H](C)CC#N)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953628 609277258 /nfs/dbraw/zinc/27/72/58/609277258.db2.gz JKKVCEZAWJQAIN-QMMMGPOBSA-N -1 3 287.302 1.622 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000890647808 617248222 /nfs/dbraw/zinc/24/82/22/617248222.db2.gz LXTYXHBMBCOYNR-LBPRGKRZSA-N -1 3 273.336 1.356 20 30 CDEDHM C#CCN1CC[C@H](NC(=O)c2ncccc2[O-])C[C@@H]1C ZINC000947231494 613278156 /nfs/dbraw/zinc/27/81/56/613278156.db2.gz MQVICLFLTWDHAE-RYUDHWBXSA-N -1 3 273.336 1.003 20 30 CDEDHM O=C(NCC#C[C@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000891123840 617367251 /nfs/dbraw/zinc/36/72/51/617367251.db2.gz XZLQBHPOADIWCJ-LLVKDONJSA-N -1 3 275.304 1.400 20 30 CDEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888117534 620747937 /nfs/dbraw/zinc/74/79/37/620747937.db2.gz NRGBKMGGQJPHCP-JTQLQIEISA-N -1 3 295.339 1.895 20 30 CDEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888117534 620747940 /nfs/dbraw/zinc/74/79/40/620747940.db2.gz NRGBKMGGQJPHCP-JTQLQIEISA-N -1 3 295.339 1.895 20 30 CDEDHM C=CCOCC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888118024 620748539 /nfs/dbraw/zinc/74/85/39/620748539.db2.gz ZBVOABSVXAQNAW-UHFFFAOYSA-N -1 3 267.285 1.116 20 30 CDEDHM C=CCOCC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888118024 620748541 /nfs/dbraw/zinc/74/85/41/620748541.db2.gz ZBVOABSVXAQNAW-UHFFFAOYSA-N -1 3 267.285 1.116 20 30 CDEDHM N#CCCOc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826381992 618592553 /nfs/dbraw/zinc/59/25/53/618592553.db2.gz JPYAJGUBNBONOK-UHFFFAOYSA-N -1 3 260.213 1.067 20 30 CDEDHM N#CCCOc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826381992 618592556 /nfs/dbraw/zinc/59/25/56/618592556.db2.gz JPYAJGUBNBONOK-UHFFFAOYSA-N -1 3 260.213 1.067 20 30 CDEDHM N#Cc1nc(N2CCC(c3nnn[n-]3)CC2)sc1Cl ZINC000895005614 619191478 /nfs/dbraw/zinc/19/14/78/619191478.db2.gz HJMDNNAMNVEISI-UHFFFAOYSA-N -1 3 295.759 1.565 20 30 CDEDHM N#Cc1nc(N2CCC(c3nn[n-]n3)CC2)sc1Cl ZINC000895005614 619191481 /nfs/dbraw/zinc/19/14/81/619191481.db2.gz HJMDNNAMNVEISI-UHFFFAOYSA-N -1 3 295.759 1.565 20 30 CDEDHM O=C1[C@@H](NCc2ccc(F)c(Cl)c2)CCCN1[O-] ZINC000895162866 619383536 /nfs/dbraw/zinc/38/35/36/619383536.db2.gz OJOOTXMZKAWNOR-NSHDSACASA-N -1 3 272.707 1.949 20 30 CDEDHM O=C1[C@@H](NCc2nc3c(s2)CCCC3)CCCN1[O-] ZINC000895163535 619387330 /nfs/dbraw/zinc/38/73/30/619387330.db2.gz VQGPXXMFHGTIEN-JTQLQIEISA-N -1 3 281.381 1.492 20 30 CDEDHM C=C[C@@H](CC)CC(=O)Nc1n[n-]c(SCCO)n1 ZINC000896643900 620175745 /nfs/dbraw/zinc/17/57/45/620175745.db2.gz VFDAMCNUOIJMPR-QMMMGPOBSA-N -1 3 270.358 1.430 20 30 CDEDHM C#CCN(C(=O)c1cc2c(cc1[O-])OCO2)C(C)C ZINC000928626571 620239728 /nfs/dbraw/zinc/23/97/28/620239728.db2.gz LOWFHZQMVXSZCD-UHFFFAOYSA-N -1 3 261.277 1.605 20 30 CDEDHM C[C@@H]1CC(=NC(=O)c2cc([C@H]3CCCN3C)n[n-]2)NO1 ZINC000897252679 620444838 /nfs/dbraw/zinc/44/48/38/620444838.db2.gz IQZBNXHVCOUGOA-LDYMZIIASA-N -1 3 277.328 1.029 20 30 CDEDHM C#CCCCCCC(=O)NCCCc1c[n-][nH]c1=O ZINC000898739485 621858064 /nfs/dbraw/zinc/85/80/64/621858064.db2.gz KBAGNSNJBDCEAS-GFCCVEGCSA-N -1 3 263.341 1.198 20 30 CDEDHM C=CC[C@@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccccc1 ZINC000898739771 621858096 /nfs/dbraw/zinc/85/80/96/621858096.db2.gz MKFUCLLEOORHDR-LSDHHAIUSA-N -1 3 299.374 1.975 20 30 CDEDHM C=CCCC[C@@H](N)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000900454771 623081189 /nfs/dbraw/zinc/08/11/89/623081189.db2.gz UCPMNNKOLHUGDQ-VXGBXAGGSA-N -1 3 268.357 1.383 20 30 CDEDHM C=CCCC[C@@H](N)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000900459244 623087767 /nfs/dbraw/zinc/08/77/67/623087767.db2.gz XNXOOBGWJTYAHA-CHWSQXEVSA-N -1 3 282.384 1.773 20 30 CDEDHM C=CCCC[C@@H](N)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000900465204 623094876 /nfs/dbraw/zinc/09/48/76/623094876.db2.gz ISWWMBWKYDIULH-LLVKDONJSA-N -1 3 270.373 1.629 20 30 CDEDHM C=CCCCS(=O)(=O)[N-]c1cnc2ccnn2c1 ZINC000903187518 625894428 /nfs/dbraw/zinc/89/44/28/625894428.db2.gz DCTLEZPHFRXVGQ-UHFFFAOYSA-N -1 3 266.326 1.437 20 30 CDEDHM CC(=O)N[C@@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904187929 626206242 /nfs/dbraw/zinc/20/62/42/626206242.db2.gz XFPNYBPQFQRVHM-QMMMGPOBSA-N -1 3 270.716 1.582 20 30 CDEDHM CCCCN(O)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000904210407 626214191 /nfs/dbraw/zinc/21/41/91/626214191.db2.gz OISLKFKJTHAXPC-UHFFFAOYSA-N -1 3 290.341 1.128 20 30 CDEDHM CCCCN([O-])C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC000904215594 626221423 /nfs/dbraw/zinc/22/14/23/626221423.db2.gz FZOIOQQUCIWYQG-CQSZACIVSA-N -1 3 268.357 1.701 20 30 CDEDHM CCCCN([O-])C(=O)CN1CCc2ccccc2C1=O ZINC000904213519 626226848 /nfs/dbraw/zinc/22/68/48/626226848.db2.gz RNEOQJCMFZDWTK-UHFFFAOYSA-N -1 3 276.336 1.703 20 30 CDEDHM C=CCC[C@@H](NC(=O)NC1CCN(CC=C)CC1)C(=O)[O-] ZINC000908945902 628427067 /nfs/dbraw/zinc/42/70/67/628427067.db2.gz 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/nfs/dbraw/zinc/86/98/09/1163869809.db2.gz ZVEULTSSLSUDTE-UHFFFAOYSA-N -1 3 299.338 1.399 20 30 CDEDHM N#CC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC001606344166 1163869818 /nfs/dbraw/zinc/86/98/18/1163869818.db2.gz ZVEULTSSLSUDTE-UHFFFAOYSA-N -1 3 299.338 1.399 20 30 CDEDHM N#CCN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001606349788 1163874355 /nfs/dbraw/zinc/87/43/55/1163874355.db2.gz YCUZXTBLQAWNPL-YVMONPNESA-N -1 3 294.318 1.394 20 30 CDEDHM N#CCN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001606349788 1163874361 /nfs/dbraw/zinc/87/43/61/1163874361.db2.gz YCUZXTBLQAWNPL-YVMONPNESA-N -1 3 294.318 1.394 20 30 CDEDHM N#Cc1cnc(CSc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001606390056 1163887017 /nfs/dbraw/zinc/88/70/17/1163887017.db2.gz KQQKLVYDUJDBSR-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM N#Cc1cnc(CSc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001606390056 1163887025 /nfs/dbraw/zinc/88/70/25/1163887025.db2.gz KQQKLVYDUJDBSR-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cncn2C)c1 ZINC001193644823 1164396576 /nfs/dbraw/zinc/39/65/76/1164396576.db2.gz RSLPJGHWMJPDGZ-UHFFFAOYSA-N -1 3 292.320 1.101 20 30 CDEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001609050966 1164743349 /nfs/dbraw/zinc/74/33/49/1164743349.db2.gz JTGPIGDHGSKDRF-GWCFXTLKSA-N -1 3 286.339 1.655 20 30 CDEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001609050966 1164743355 /nfs/dbraw/zinc/74/33/55/1164743355.db2.gz JTGPIGDHGSKDRF-GWCFXTLKSA-N -1 3 286.339 1.655 20 30 CDEDHM C=CCCc1nnc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001609056093 1164749483 /nfs/dbraw/zinc/74/94/83/1164749483.db2.gz PERMTTXTHDPREU-UHFFFAOYSA-N -1 3 298.306 1.947 20 30 CDEDHM C[C@@H](C#N)CNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609068128 1164755079 /nfs/dbraw/zinc/75/50/79/1164755079.db2.gz LTADBTUZIMDLCD-JTQLQIEISA-N -1 3 296.334 1.174 20 30 CDEDHM C[C@@H](C#N)CNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609068128 1164755086 /nfs/dbraw/zinc/75/50/86/1164755086.db2.gz LTADBTUZIMDLCD-JTQLQIEISA-N -1 3 296.334 1.174 20 30 CDEDHM CC(C)(C)[C@H](C#N)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609073752 1164757006 /nfs/dbraw/zinc/75/70/06/1164757006.db2.gz MQPFXZOPEMIFLP-VIFPVBQESA-N -1 3 290.352 1.596 20 30 CDEDHM CC[C@@H](C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609248935 1164863305 /nfs/dbraw/zinc/86/33/05/1164863305.db2.gz DYHFDBCVFKFFOE-TVRMLOFPSA-N -1 3 282.307 1.298 20 30 CDEDHM CC[C@@H](C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609248935 1164863310 /nfs/dbraw/zinc/86/33/10/1164863310.db2.gz DYHFDBCVFKFFOE-TVRMLOFPSA-N -1 3 282.307 1.298 20 30 CDEDHM COc1cc(OCCOCCC#N)cc(-c2nn[n-]n2)c1 ZINC001609348403 1164907889 /nfs/dbraw/zinc/90/78/89/1164907889.db2.gz SNOXASQBRDOBLB-UHFFFAOYSA-N -1 3 289.295 1.184 20 30 CDEDHM COc1cc(OCCOCCC#N)cc(-c2nnn[n-]2)c1 ZINC001609348403 1164907882 /nfs/dbraw/zinc/90/78/82/1164907882.db2.gz SNOXASQBRDOBLB-UHFFFAOYSA-N -1 3 289.295 1.184 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C/C(Cl)=C/Cl ZINC001609446653 1164953767 /nfs/dbraw/zinc/95/37/67/1164953767.db2.gz 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/nfs/dbraw/zinc/97/76/08/1164977608.db2.gz BNMMBAXEUSFHKA-SNVBAGLBSA-N -1 3 270.296 1.329 20 30 CDEDHM Cc1ccc([O-])c(CNCC2(C#N)CCOCC2)n1 ZINC001651674175 1171344270 /nfs/dbraw/zinc/34/42/70/1171344270.db2.gz UKUCXAWBROEOHB-UHFFFAOYSA-N -1 3 261.325 1.506 20 30 CDEDHM Cc1nc(C#N)cc(NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC001581412821 1172607606 /nfs/dbraw/zinc/60/76/06/1172607606.db2.gz WPHDWEHGUOBESW-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1nc(C#N)cc(NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC001581412821 1172607611 /nfs/dbraw/zinc/60/76/11/1172607611.db2.gz WPHDWEHGUOBESW-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM N#Cc1cncc(NCc2ccc(-c3nnn[n-]3)c(F)c2)n1 ZINC001581883702 1172627281 /nfs/dbraw/zinc/62/72/81/1172627281.db2.gz SIJHQAAVBOACJL-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1cncc(NCc2ccc(-c3nn[n-]n3)c(F)c2)n1 ZINC001581883702 1172627284 /nfs/dbraw/zinc/62/72/84/1172627284.db2.gz SIJHQAAVBOACJL-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM C#CCN(Cc1cc(-c2nnn[n-]2)cnc1Cl)C(C)C ZINC001588350693 1173051183 /nfs/dbraw/zinc/05/11/83/1173051183.db2.gz LQANTGKTMLFLHP-UHFFFAOYSA-N -1 3 290.758 1.759 20 30 CDEDHM C#CCN(Cc1cc(-c2nn[n-]n2)cnc1Cl)C(C)C ZINC001588350693 1173051190 /nfs/dbraw/zinc/05/11/90/1173051190.db2.gz LQANTGKTMLFLHP-UHFFFAOYSA-N -1 3 290.758 1.759 20 30 CDEDHM C#CCOCCC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001588362537 1173053395 /nfs/dbraw/zinc/05/33/95/1173053395.db2.gz JLSVHEVPFACQJU-UHFFFAOYSA-N -1 3 285.307 1.154 20 30 CDEDHM C#CCOCCC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001588362537 1173053401 /nfs/dbraw/zinc/05/34/01/1173053401.db2.gz JLSVHEVPFACQJU-UHFFFAOYSA-N -1 3 285.307 1.154 20 30 CDEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cncnc1 ZINC001588381548 1173055757 /nfs/dbraw/zinc/05/57/57/1173055757.db2.gz HQOSELIMIVBODR-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cncnc1 ZINC001588381548 1173055764 /nfs/dbraw/zinc/05/57/64/1173055764.db2.gz HQOSELIMIVBODR-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(-c2nnn[n-]2)cnn1 ZINC001588455673 1173066698 /nfs/dbraw/zinc/06/66/98/1173066698.db2.gz BQPSVMQGZQMSTR-PHIMTYICSA-N -1 3 269.312 1.344 20 30 CDEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(-c2nn[n-]n2)cnn1 ZINC001588455673 1173066705 /nfs/dbraw/zinc/06/67/05/1173066705.db2.gz BQPSVMQGZQMSTR-PHIMTYICSA-N -1 3 269.312 1.344 20 30 CDEDHM C=C[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588515566 1173072023 /nfs/dbraw/zinc/07/20/23/1173072023.db2.gz DWYRLPARBQASJK-SECBINFHSA-N -1 3 258.281 1.906 20 30 CDEDHM C=CC[C@H](C)NC(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001588539223 1173077503 /nfs/dbraw/zinc/07/75/03/1173077503.db2.gz CIGSAPJVGAVQDF-VIFPVBQESA-N -1 3 287.327 1.026 20 30 CDEDHM C=CC[C@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001588539223 1173077508 /nfs/dbraw/zinc/07/75/08/1173077508.db2.gz CIGSAPJVGAVQDF-VIFPVBQESA-N -1 3 287.327 1.026 20 30 CDEDHM C=CCC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588582572 1173086100 /nfs/dbraw/zinc/08/61/00/1173086100.db2.gz MIQULHVNNHHNMG-JTQLQIEISA-N -1 3 286.339 1.766 20 30 CDEDHM C=CCC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588582572 1173086112 /nfs/dbraw/zinc/08/61/12/1173086112.db2.gz MIQULHVNNHHNMG-JTQLQIEISA-N -1 3 286.339 1.766 20 30 CDEDHM C=CCCNC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588609208 1173089413 /nfs/dbraw/zinc/08/94/13/1173089413.db2.gz LMAKAIMZFBWHJM-UHFFFAOYSA-N -1 3 273.300 1.268 20 30 CDEDHM C=CCCNC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588609208 1173089416 /nfs/dbraw/zinc/08/94/16/1173089416.db2.gz LMAKAIMZFBWHJM-UHFFFAOYSA-N -1 3 273.300 1.268 20 30 CDEDHM C=CCO[C@H]1CCN(c2cc(-c3nnn[n-]3)ccn2)C1 ZINC001588665248 1173096191 /nfs/dbraw/zinc/09/61/91/1173096191.db2.gz IDOXHNHYNXERFL-NSHDSACASA-N -1 3 272.312 1.043 20 30 CDEDHM C=CCO[C@H]1CCN(c2cc(-c3nn[n-]n3)ccn2)C1 ZINC001588665248 1173096196 /nfs/dbraw/zinc/09/61/96/1173096196.db2.gz IDOXHNHYNXERFL-NSHDSACASA-N -1 3 272.312 1.043 20 30 CDEDHM CC#CCCNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588746581 1173102470 /nfs/dbraw/zinc/10/24/70/1173102470.db2.gz UMAGGEYIQZMBCU-UHFFFAOYSA-N -1 3 295.346 1.428 20 30 CDEDHM CC#CCCNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588746581 1173102472 /nfs/dbraw/zinc/10/24/72/1173102472.db2.gz UMAGGEYIQZMBCU-UHFFFAOYSA-N -1 3 295.346 1.428 20 30 CDEDHM C[C@@H](C#N)OCCOC(=O)c1cscc1-c1nnn[n-]1 ZINC001588934497 1173115490 /nfs/dbraw/zinc/11/54/90/1173115490.db2.gz NYAXSFCBHRWTSY-ZETCQYMHSA-N -1 3 293.308 1.014 20 30 CDEDHM C[C@@H](C#N)OCCOC(=O)c1cscc1-c1nn[n-]n1 ZINC001588934497 1173115495 /nfs/dbraw/zinc/11/54/95/1173115495.db2.gz NYAXSFCBHRWTSY-ZETCQYMHSA-N -1 3 293.308 1.014 20 30 CDEDHM C[C@@H](C#N)CN(C)Cc1cc(-c2nn[n-]n2)ccc1N(C)C ZINC001588930920 1173115764 /nfs/dbraw/zinc/11/57/64/1173115764.db2.gz NGTNOZWGDWLECB-NSHDSACASA-N -1 3 299.382 1.524 20 30 CDEDHM C[C@@H](CC#N)NCCOc1cccc(-c2nn[n-]n2)c1 ZINC001589788274 1173181932 /nfs/dbraw/zinc/18/19/32/1173181932.db2.gz VXURZUYDZUCBMG-JTQLQIEISA-N -1 3 272.312 1.137 20 30 CDEDHM CC12CC(C1)CN2c1c(C#N)cccc1-c1nnn[n-]1 ZINC001590152728 1173276752 /nfs/dbraw/zinc/27/67/52/1173276752.db2.gz LLOYUIVPVGSLOT-UHFFFAOYSA-N -1 3 266.308 1.727 20 30 CDEDHM CC12CC(C1)CN2c1c(C#N)cccc1-c1nn[n-]n1 ZINC001590152728 1173276756 /nfs/dbraw/zinc/27/67/56/1173276756.db2.gz LLOYUIVPVGSLOT-UHFFFAOYSA-N -1 3 266.308 1.727 20 30 CDEDHM CC[C@@H](C#N)OC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590367648 1173375308 /nfs/dbraw/zinc/37/53/08/1173375308.db2.gz GDZQAUPLAPRVQC-MFKMUULPSA-N -1 3 299.334 1.891 20 30 CDEDHM CC[C@@H](C#N)OC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590367648 1173375315 /nfs/dbraw/zinc/37/53/15/1173375315.db2.gz GDZQAUPLAPRVQC-MFKMUULPSA-N -1 3 299.334 1.891 20 30 CDEDHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@@H](C)C#N ZINC001590674776 1173486290 /nfs/dbraw/zinc/48/62/90/1173486290.db2.gz XVYYFZZHTKZXEJ-JTQLQIEISA-N -1 3 284.323 1.549 20 30 CDEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@@H](C)C#N ZINC001590674776 1173486294 /nfs/dbraw/zinc/48/62/94/1173486294.db2.gz XVYYFZZHTKZXEJ-JTQLQIEISA-N -1 3 284.323 1.549 20 30 CDEDHM CCN(CCC#N)C(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001590690697 1173492408 /nfs/dbraw/zinc/49/24/08/1173492408.db2.gz AMTQRKLTGSCOID-UHFFFAOYSA-N -1 3 298.350 1.859 20 30 CDEDHM CCN(CCC#N)C(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001590690697 1173492418 /nfs/dbraw/zinc/49/24/18/1173492418.db2.gz AMTQRKLTGSCOID-UHFFFAOYSA-N -1 3 298.350 1.859 20 30 CDEDHM CN(Cc1ccnc(-c2nnn[n-]2)c1)CC(C)(C)C#N ZINC001591150332 1173583217 /nfs/dbraw/zinc/58/32/17/1173583217.db2.gz WJJDBFVCLPATNK-UHFFFAOYSA-N -1 3 271.328 1.243 20 30 CDEDHM Cc1cc(CN=Nc2ncncc2F)ccc1-c1nnn[n-]1 ZINC001591959021 1173755080 /nfs/dbraw/zinc/75/50/80/1173755080.db2.gz XKUUUMQYBULXCX-UHFFFAOYSA-N -1 3 298.285 1.550 20 30 CDEDHM Cc1cc(CN=Nc2ncncc2F)ccc1-c1nn[n-]n1 ZINC001591959021 1173755084 /nfs/dbraw/zinc/75/50/84/1173755084.db2.gz XKUUUMQYBULXCX-UHFFFAOYSA-N -1 3 298.285 1.550 20 30 CDEDHM Cc1cc(CNc2c(C#N)cccc2-c2nnn[n-]2)on1 ZINC001591969904 1173762338 /nfs/dbraw/zinc/76/23/38/1173762338.db2.gz VGPDYWBFKOKBAF-UHFFFAOYSA-N 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/nfs/dbraw/zinc/97/23/11/1173972311.db2.gz GAJZYHVPZVAHMU-UHFFFAOYSA-N -1 3 292.249 1.722 20 30 CDEDHM N#Cc1ccc(NC(=O)CCC(F)F)cc1-c1nn[n-]n1 ZINC001592695022 1173972317 /nfs/dbraw/zinc/97/23/17/1173972317.db2.gz GAJZYHVPZVAHMU-UHFFFAOYSA-N -1 3 292.249 1.722 20 30 CDEDHM O[C@@H]1CCCC[C@H]1NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593536585 1174109394 /nfs/dbraw/zinc/10/93/94/1174109394.db2.gz PDDPTWJZZGUNLW-CHWSQXEVSA-N -1 3 286.339 1.094 20 30 CDEDHM O[C@@H]1CCCC[C@H]1NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593536585 1174109396 /nfs/dbraw/zinc/10/93/96/1174109396.db2.gz PDDPTWJZZGUNLW-CHWSQXEVSA-N -1 3 286.339 1.094 20 30 CDEDHM C#C[C@@H](CC)Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602689964 1175353316 /nfs/dbraw/zinc/35/33/16/1175353316.db2.gz XPEPJMCPTJHZJG-VIFPVBQESA-N -1 3 286.295 1.907 20 30 CDEDHM C#C[C@@H](CC)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602689964 1175353324 /nfs/dbraw/zinc/35/33/24/1175353324.db2.gz XPEPJMCPTJHZJG-VIFPVBQESA-N -1 3 286.295 1.907 20 30 CDEDHM 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C=CCN(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC001609055687 1164749024 /nfs/dbraw/zinc/74/90/24/1164749024.db2.gz PHFUHMOQCQDCNM-UHFFFAOYSA-N -1 3 259.313 1.506 20 30 CDEDHM C=CCOCCOc1ccc(-c2nnn[n-]2)cc1OCC ZINC001609059006 1164752117 /nfs/dbraw/zinc/75/21/17/1164752117.db2.gz JDJNLHOUSDKBLV-UHFFFAOYSA-N -1 3 290.323 1.847 20 30 CDEDHM C=CCOCCOc1ccc(-c2nn[n-]n2)cc1OCC ZINC001609059006 1164752122 /nfs/dbraw/zinc/75/21/22/1164752122.db2.gz JDJNLHOUSDKBLV-UHFFFAOYSA-N -1 3 290.323 1.847 20 30 CDEDHM Cc1c(C(=O)N(C)[C@@H](C)CC#N)cccc1-c1nnn[n-]1 ZINC001609379475 1164917274 /nfs/dbraw/zinc/91/72/74/1164917274.db2.gz LBRDCHJVYXKCDL-VIFPVBQESA-N -1 3 284.323 1.549 20 30 CDEDHM Cc1c(C(=O)N(C)[C@@H](C)CC#N)cccc1-c1nn[n-]n1 ZINC001609379475 1164917277 /nfs/dbraw/zinc/91/72/77/1164917277.db2.gz LBRDCHJVYXKCDL-VIFPVBQESA-N -1 3 284.323 1.549 20 30 CDEDHM N#Cc1ccc(CN[C@]2(CC(=O)[O-])CCOC2)c(F)c1 ZINC001610628350 1165385947 /nfs/dbraw/zinc/38/59/47/1165385947.db2.gz ZXFAMGXFMYMYRK-AWEZNQCLSA-N -1 3 278.283 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CJLITHLBIOPOQF-UFBFGSQYSA-N -1 3 275.308 1.825 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cncc(-c2cccs2)n1 ZINC001171365197 932872642 /nfs/dbraw/zinc/87/26/42/932872642.db2.gz PBEUDPGVRXBBKI-UFBFGSQYSA-N -1 3 290.348 1.853 20 30 CDEDHM Cc1cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)ccc1CC#N ZINC001171366062 932874903 /nfs/dbraw/zinc/87/49/03/932874903.db2.gz RNYQYFCUIHPOQR-GWCFXTLKSA-N -1 3 259.309 1.709 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc2c3c(ccnc13)CCO2 ZINC001171365922 932876555 /nfs/dbraw/zinc/87/65/55/932876555.db2.gz LRJPUFLXRATUJN-XPTSAGLGSA-N -1 3 299.330 1.818 20 30 CDEDHM CC(C)c1ncc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)cn1 ZINC001171369435 932888280 /nfs/dbraw/zinc/88/82/80/932888280.db2.gz MRNNVXQNDKMBSE-WPRPVWTQSA-N -1 3 250.302 1.248 20 30 CDEDHM C=CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C(=O)[O-] ZINC001119579373 937734662 /nfs/dbraw/zinc/73/46/62/937734662.db2.gz BAZKSRMPLPKGLT-SNVBAGLBSA-N -1 3 256.346 1.110 20 30 CDEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)Cc1ccccc1CC#N ZINC000778964159 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C[C@H]1CN([O-])C(=O)[C@H]1Nc1nccc2cnccc21 ZINC001160176488 938773606 /nfs/dbraw/zinc/77/36/06/938773606.db2.gz UZQYFAGWLHGLLF-KWQFWETISA-N -1 3 258.281 1.278 20 30 CDEDHM Cc1ncc(Nc2nc(C(C)C)ccc2C#N)c(=O)[n-]1 ZINC001162297669 938973281 /nfs/dbraw/zinc/97/32/81/938973281.db2.gz GCGPTADCEKVOCY-GFCCVEGCSA-N -1 3 269.308 1.887 20 30 CDEDHM C=CCOc1cc(C)nc(Nc2cnc(C)[n-]c2=O)n1 ZINC001162300169 938974849 /nfs/dbraw/zinc/97/48/49/938974849.db2.gz GHBIOVRMMAMRQY-JTQLQIEISA-N -1 3 273.296 1.160 20 30 CDEDHM Cc1ncc(Nc2ncc(Cl)cc2C#N)c(=O)[n-]1 ZINC001162303175 938975915 /nfs/dbraw/zinc/97/59/15/938975915.db2.gz OGCABVRXQFOWHS-SECBINFHSA-N -1 3 261.672 1.417 20 30 CDEDHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)c(C#N)cn1 ZINC001162536737 939080004 /nfs/dbraw/zinc/08/00/04/939080004.db2.gz LRIPQGAYPDFNQW-LLVKDONJSA-N -1 3 257.297 1.186 20 30 CDEDHM N#CCNCC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001163476683 939274510 /nfs/dbraw/zinc/27/45/10/939274510.db2.gz RITXYFGSOTVWOX-UHFFFAOYSA-N -1 3 273.336 1.405 20 30 CDEDHM 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20 30 CDEDHM C#C[C@H](CC)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229337060 942454948 /nfs/dbraw/zinc/45/49/48/942454948.db2.gz CIRIXOMRONAHJP-SNVBAGLBSA-N -1 3 258.281 1.666 20 30 CDEDHM C#C[C@H](Oc1nc(C)[n-]c(=O)c1C)c1ccncc1 ZINC001229690147 942512833 /nfs/dbraw/zinc/51/28/33/942512833.db2.gz OLLBFNTWYRJOCI-LBPRGKRZSA-N -1 3 255.277 1.947 20 30 CDEDHM C=C1O[C@H](CC)C(=O)C1Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231076912 942778192 /nfs/dbraw/zinc/77/81/92/942778192.db2.gz NZDISSUUWVIHNC-LLVKDONJSA-N -1 3 286.291 1.855 20 30 CDEDHM C=C1O[C@H](CC)C(=O)C1Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076912 942778195 /nfs/dbraw/zinc/77/81/95/942778195.db2.gz NZDISSUUWVIHNC-LLVKDONJSA-N -1 3 286.291 1.855 20 30 CDEDHM C=C1O[C@@H](C)C(=O)C1Oc1[n-]c(=O)nc2cccc(C#N)c21 ZINC001234511533 943871945 /nfs/dbraw/zinc/87/19/45/943871945.db2.gz QWPVDTHSODGPDM-ZETCQYMHSA-N -1 3 297.270 1.805 20 30 CDEDHM N#C[C@@H]1COCCN1Cc1ccc(Br)c([O-])c1 ZINC001236699918 944547664 /nfs/dbraw/zinc/54/76/64/944547664.db2.gz 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955749551 /nfs/dbraw/zinc/74/95/51/955749551.db2.gz SJECGQDXUUBMCZ-UTLUCORTSA-N -1 3 261.281 1.097 20 30 CDEDHM N#Cc1c(N)sc2c1CCN(CCCC(=O)[O-])C2 ZINC001594613736 956226642 /nfs/dbraw/zinc/22/66/42/956226642.db2.gz CBAIFLXPYIUKOA-UHFFFAOYSA-N -1 3 265.338 1.425 20 30 CDEDHM COC[C@@]1(C(=O)[O-])CN(CC(C)(C)CCC#N)CCO1 ZINC001593985434 956767893 /nfs/dbraw/zinc/76/78/93/956767893.db2.gz GRTDQGCPLXQCDS-CQSZACIVSA-N -1 3 284.356 1.118 20 30 CDEDHM CC#CC[C@H](NCc1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC001332485657 957585020 /nfs/dbraw/zinc/58/50/20/957585020.db2.gz FGJJLNZIHBAXLN-ZDUSSCGKSA-N -1 3 293.294 1.569 20 30 CDEDHM CC#CC[C@H](NCc1c(OC)cccc1OC)C(=O)[O-] ZINC001333185159 958139377 /nfs/dbraw/zinc/13/93/77/958139377.db2.gz GOQUBWVOHBUDKS-LBPRGKRZSA-N -1 3 277.320 1.660 20 30 CDEDHM C=CC[C@H]([N-]S(=O)(=O)C[C@H](C)CCC)C(=O)OCC ZINC001320264858 959039259 /nfs/dbraw/zinc/03/92/59/959039259.db2.gz CQDAFKVDAHJIMI-NEPJUHHUSA-N -1 3 291.413 1.850 20 30 CDEDHM COc1cccc([O-])c1C(=O)NCc1ccc(C#N)cn1 ZINC001434098371 960975808 /nfs/dbraw/zinc/97/58/08/960975808.db2.gz VYQQJEPGXQQITD-UHFFFAOYSA-N -1 3 283.287 1.597 20 30 CDEDHM N#CCCC[C@H](NCC(=O)NCC(=O)[O-])c1ccccc1 ZINC001574480501 961664575 /nfs/dbraw/zinc/66/45/75/961664575.db2.gz KPHFLPBQMVDRMS-ZDUSSCGKSA-N -1 3 289.335 1.212 20 30 CDEDHM C#C[C@@H](C)N(C)c1nnc(-c2c[n-]oc2=O)n1CC1CC1 ZINC001346447905 965114571 /nfs/dbraw/zinc/11/45/71/965114571.db2.gz MRKYEWRCLPCREB-SECBINFHSA-N -1 3 287.323 1.507 20 30 CDEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H]1C ZINC001355967839 969308363 /nfs/dbraw/zinc/30/83/63/969308363.db2.gz DJJLLRCJPBQLLT-SNVBAGLBSA-N -1 3 286.339 1.615 20 30 CDEDHM C=C(CC)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC001520767806 970220175 /nfs/dbraw/zinc/22/01/75/970220175.db2.gz YQVBQIOIXJLYJD-UHFFFAOYSA-N -1 3 268.338 1.963 20 30 CDEDHM N#Cc1ccc(CCn2cc(Cl)c(=O)[n-]c2=O)cc1 ZINC001472995598 970739391 /nfs/dbraw/zinc/73/93/91/970739391.db2.gz UTOVBGJAHNPHDZ-UHFFFAOYSA-N -1 3 275.695 1.717 20 30 CDEDHM 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CDEDHM C=CCCOCCNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823899454 607944607 /nfs/dbraw/zinc/94/46/07/607944607.db2.gz WKPQQMYGNXXBFY-UHFFFAOYSA-N -1 3 287.323 1.189 20 30 CDEDHM C=CCCOCCNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823899454 607944608 /nfs/dbraw/zinc/94/46/08/607944608.db2.gz WKPQQMYGNXXBFY-UHFFFAOYSA-N -1 3 287.323 1.189 20 30 CDEDHM COCC#CCSc1cccc(-c2nnn[n-]2)c1 ZINC000826147220 608097215 /nfs/dbraw/zinc/09/72/15/608097215.db2.gz QFIJBRGBAVTFDS-UHFFFAOYSA-N -1 3 260.322 1.609 20 30 CDEDHM COCC#CCSc1cccc(-c2nn[n-]n2)c1 ZINC000826147220 608097216 /nfs/dbraw/zinc/09/72/16/608097216.db2.gz QFIJBRGBAVTFDS-UHFFFAOYSA-N -1 3 260.322 1.609 20 30 CDEDHM COc1cc(C#N)ccc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826176810 608325429 /nfs/dbraw/zinc/32/54/29/608325429.db2.gz FIBZRWQTAFULHM-UHFFFAOYSA-N -1 3 280.291 1.597 20 30 CDEDHM COc1cc(C#N)ccc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826176810 608325431 /nfs/dbraw/zinc/32/54/31/608325431.db2.gz FIBZRWQTAFULHM-UHFFFAOYSA-N -1 3 280.291 1.597 20 30 CDEDHM C#C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C1CC1 ZINC000823837885 608454935 /nfs/dbraw/zinc/45/49/35/608454935.db2.gz IHEMLHYGCWKHOO-VIFPVBQESA-N -1 3 274.305 1.497 20 30 CDEDHM C#C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C1CC1 ZINC000823837885 608454936 /nfs/dbraw/zinc/45/49/36/608454936.db2.gz IHEMLHYGCWKHOO-VIFPVBQESA-N -1 3 274.305 1.497 20 30 CDEDHM Fc1cc(NN=Cc2cc(-c3nnn[n-]3)cs2)ccn1 ZINC000826372713 609281351 /nfs/dbraw/zinc/28/13/51/609281351.db2.gz INQJHXWEIALKNL-UHFFFAOYSA-N -1 3 289.299 1.908 20 30 CDEDHM Fc1cc(NN=Cc2cc(-c3nn[n-]n3)cs2)ccn1 ZINC000826372713 609281352 /nfs/dbraw/zinc/28/13/52/609281352.db2.gz INQJHXWEIALKNL-UHFFFAOYSA-N -1 3 289.299 1.908 20 30 CDEDHM C=CCOCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823925306 609607769 /nfs/dbraw/zinc/60/77/69/609607769.db2.gz HMUDLEFNTOEIKR-FPLPWBNLSA-N -1 3 299.334 1.199 20 30 CDEDHM C=CCOCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823925306 609607770 /nfs/dbraw/zinc/60/77/70/609607770.db2.gz HMUDLEFNTOEIKR-FPLPWBNLSA-N -1 3 299.334 1.199 20 30 CDEDHM C#CCN1C[C@]2(C)CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC000982265396 613293906 /nfs/dbraw/zinc/29/39/06/613293906.db2.gz NAOKYSHQYOZBQW-CALCHBBNSA-N -1 3 299.374 1.204 20 30 CDEDHM C=C1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000894286348 618479698 /nfs/dbraw/zinc/47/96/98/618479698.db2.gz WYGMFSHHNOZJBM-UHFFFAOYSA-N -1 3 289.261 1.685 20 30 CDEDHM CC(C)(C)c1ncc(CN[C@H]2CCCN([O-])C2=O)cn1 ZINC000895158425 619373828 /nfs/dbraw/zinc/37/38/28/619373828.db2.gz IGHQLWFCRDIDOO-NSHDSACASA-N -1 3 278.356 1.244 20 30 CDEDHM COc1cccc(OC)c1CN[C@@H]1CCCN([O-])C1=O ZINC000895159381 619376791 /nfs/dbraw/zinc/37/67/91/619376791.db2.gz UPCFZIXYSPBKRA-LLVKDONJSA-N -1 3 280.324 1.174 20 30 CDEDHM O=C1[C@H](NCc2ccc([N+](=O)[O-])cc2F)CCCN1[O-] ZINC000895162284 619382596 /nfs/dbraw/zinc/38/25/96/619382596.db2.gz JTDDXKPMKJSGHQ-LLVKDONJSA-N -1 3 283.259 1.204 20 30 CDEDHM O=C1[C@@H](NCc2cnc([C@H]3CCCO3)s2)CCCN1[O-] ZINC000895162892 619384224 /nfs/dbraw/zinc/38/42/24/619384224.db2.gz OXCLFCOVNFFFMT-WDEREUQCSA-N -1 3 297.380 1.464 20 30 CDEDHM O=C1[C@@H](NCc2cccnc2Cl)CCCN1[O-] ZINC000895164133 619389366 /nfs/dbraw/zinc/38/93/66/619389366.db2.gz CRWCPYLPLKZFGC-VIFPVBQESA-N -1 3 255.705 1.205 20 30 CDEDHM CCc1ncc(CN[C@H]2CCCN([O-])C2=O)s1 ZINC000895164195 619389508 /nfs/dbraw/zinc/38/95/08/619389508.db2.gz DZVSVMZXOVHFBR-VIFPVBQESA-N -1 3 255.343 1.175 20 30 CDEDHM O=C1[C@H](NCc2cccc(F)c2F)CCCN1[O-] ZINC000895165179 619392626 /nfs/dbraw/zinc/39/26/26/619392626.db2.gz KKOFZVNHTKRFPH-SNVBAGLBSA-N -1 3 256.252 1.435 20 30 CDEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC23CCOCC3)c1[O-] ZINC000840710774 620355285 /nfs/dbraw/zinc/35/52/85/620355285.db2.gz UWUIXYKSMIOXCX-RSQQOUAVSA-N -1 3 276.336 1.576 20 30 CDEDHM C=CCO[N-]C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897921429 621226981 /nfs/dbraw/zinc/22/69/81/621226981.db2.gz IIDOMQJDORUGPG-AWEZNQCLSA-N -1 3 278.352 1.968 20 30 CDEDHM C#CCCCCCC(=O)NCCCc1c[n-][nH]c1=O ZINC000898739486 621858167 /nfs/dbraw/zinc/85/81/67/621858167.db2.gz KBAGNSNJBDCEAS-LBPRGKRZSA-N -1 3 263.341 1.198 20 30 CDEDHM C#CC1(O)CCN(C(=O)c2ccc(CC)cc2[O-])CC1 ZINC000899119350 622059483 /nfs/dbraw/zinc/05/94/83/622059483.db2.gz BYVBKDYAIYEKRM-UHFFFAOYSA-N -1 3 273.332 1.555 20 30 CDEDHM CCCCCCCC[C@@H](N)C(=O)N(C)CC(=O)[O-] ZINC000900453692 623078825 /nfs/dbraw/zinc/07/88/25/623078825.db2.gz MIGYPLJJWOCZMU-LLVKDONJSA-N -1 3 258.362 1.607 20 30 CDEDHM NC(=O)[C@H]1CCC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000904173086 626209825 /nfs/dbraw/zinc/20/98/25/626209825.db2.gz GNVMCIDIQRAXCI-NWDGAFQWSA-N -1 3 294.326 1.835 20 30 CDEDHM CCCCN([O-])C(=O)CSCC(=O)N1CCCCC1 ZINC000904208797 626213409 /nfs/dbraw/zinc/21/34/09/626213409.db2.gz KTZVTONTNVHSAM-UHFFFAOYSA-N -1 3 288.413 1.750 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000904208966 626213448 /nfs/dbraw/zinc/21/34/48/626213448.db2.gz OHVJKQXXFGEWIH-MRVPVSSYSA-N -1 3 282.262 1.415 20 30 CDEDHM CCCCN([O-])C(=O)CCCc1nc(CC)no1 ZINC000904209109 626214022 /nfs/dbraw/zinc/21/40/22/626214022.db2.gz ULLGAGRSLAEUTH-UHFFFAOYSA-N -1 3 255.318 1.973 20 30 CDEDHM NC(=O)[C@@H]1CC[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904192773 626216420 /nfs/dbraw/zinc/21/64/20/626216420.db2.gz BTSFYZOEASABQE-NXEZZACHSA-N -1 3 282.727 1.569 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000904213142 626227084 /nfs/dbraw/zinc/22/70/84/626227084.db2.gz LRUNBZHOMXSIAR-SECBINFHSA-N -1 3 268.279 1.889 20 30 CDEDHM C=C(C)C[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000914397423 631400575 /nfs/dbraw/zinc/40/05/75/631400575.db2.gz YDVVCYJDCPMDPI-UHFFFAOYSA-N -1 3 277.292 1.828 20 30 CDEDHM C#C[C@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000915040865 631632547 /nfs/dbraw/zinc/63/25/47/631632547.db2.gz JKKLWKWGDNVMOT-ZETCQYMHSA-N -1 3 275.276 1.273 20 30 CDEDHM CN1CCN(N=Cc2cccc(Br)c2[O-])CC1 ZINC000915933986 631874074 /nfs/dbraw/zinc/87/40/74/631874074.db2.gz OZKVYWMDBAXRJC-UHFFFAOYSA-N -1 3 298.184 1.736 20 30 CDEDHM O=C1CN(N=Cc2ccccc2OC2CCCC2)C(=O)[N-]1 ZINC000920369696 632764150 /nfs/dbraw/zinc/76/41/50/632764150.db2.gz OEOJXWOKCHVROY-UHFFFAOYSA-N -1 3 287.319 1.894 20 30 CDEDHM C=CC(=NCOC)NCC(=O)c1ccc([O-])c(O)c1 ZINC001170316630 1162335687 /nfs/dbraw/zinc/33/56/87/1162335687.db2.gz VAVZSOWUYOZTHC-UHFFFAOYSA-N -1 3 264.281 1.059 20 30 CDEDHM C=C[C@H](CO)Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001602888369 1175444268 /nfs/dbraw/zinc/44/42/68/1175444268.db2.gz QBPBBCKLBJPINK-SSDOTTSWSA-N -1 3 288.336 1.435 20 30 CDEDHM C=C[C@H](CO)Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001602888369 1175444271 /nfs/dbraw/zinc/44/42/71/1175444271.db2.gz QBPBBCKLBJPINK-SSDOTTSWSA-N -1 3 288.336 1.435 20 30 CDEDHM Cc1c(C(=O)NC2(C#N)CCC2)cccc1-c1nnn[n-]1 ZINC001605479384 1163580373 /nfs/dbraw/zinc/58/03/73/1163580373.db2.gz XXCKMMKFUMAEEN-UHFFFAOYSA-N -1 3 282.307 1.351 20 30 CDEDHM Cc1c(C(=O)NC2(C#N)CCC2)cccc1-c1nn[n-]n1 ZINC001605479384 1163580379 /nfs/dbraw/zinc/58/03/79/1163580379.db2.gz XXCKMMKFUMAEEN-UHFFFAOYSA-N -1 3 282.307 1.351 20 30 CDEDHM Cc1[nH]nc(NCc2ccc(-c3nnn[n-]3)c(C)c2)c1C#N ZINC001605661101 1163637220 /nfs/dbraw/zinc/63/72/20/1163637220.db2.gz NIGSMOQCWZACLD-UHFFFAOYSA-N -1 3 294.322 1.690 20 30 CDEDHM Cc1[nH]nc(NCc2ccc(-c3nn[n-]n3)c(C)c2)c1C#N ZINC001605661101 1163637226 /nfs/dbraw/zinc/63/72/26/1163637226.db2.gz NIGSMOQCWZACLD-UHFFFAOYSA-N -1 3 294.322 1.690 20 30 CDEDHM N#CC[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001606345676 1163870771 /nfs/dbraw/zinc/87/07/71/1163870771.db2.gz HBWBJGPQRHQNRS-SNVBAGLBSA-N -1 3 269.312 1.392 20 30 CDEDHM N#CC[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001606345676 1163870774 /nfs/dbraw/zinc/87/07/74/1163870774.db2.gz HBWBJGPQRHQNRS-SNVBAGLBSA-N -1 3 269.312 1.392 20 30 CDEDHM N#C[C@H]1CCCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001606345564 1163871303 /nfs/dbraw/zinc/87/13/03/1163871303.db2.gz LBWPRGUFGZJPEN-MRVPVSSYSA-N -1 3 290.277 1.885 20 30 CDEDHM N#C[C@H]1CCCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001606345564 1163871315 /nfs/dbraw/zinc/87/13/15/1163871315.db2.gz LBWPRGUFGZJPEN-MRVPVSSYSA-N -1 3 290.277 1.885 20 30 CDEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)o1 ZINC001606367923 1163877930 /nfs/dbraw/zinc/87/79/30/1163877930.db2.gz SLSKYBYOCOXEGW-UHFFFAOYSA-N -1 3 298.237 1.723 20 30 CDEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)o1 ZINC001606367923 1163877939 /nfs/dbraw/zinc/87/79/39/1163877939.db2.gz SLSKYBYOCOXEGW-UHFFFAOYSA-N -1 3 298.237 1.723 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1cccc[n+]1[O-] ZINC001606380000 1163883554 /nfs/dbraw/zinc/88/35/54/1163883554.db2.gz LGOXVBHOCWHMIQ-UHFFFAOYSA-N -1 3 280.247 1.164 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1cccc[n+]1[O-] ZINC001606380000 1163883560 /nfs/dbraw/zinc/88/35/60/1163883560.db2.gz LGOXVBHOCWHMIQ-UHFFFAOYSA-N -1 3 280.247 1.164 20 30 CDEDHM CC#CC[C@H](CO)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001609059642 1164752459 /nfs/dbraw/zinc/75/24/59/1164752459.db2.gz BORBVWGSIRDUAP-SNVBAGLBSA-N -1 3 275.287 1.192 20 30 CDEDHM CC#CC[C@H](CO)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001609059642 1164752466 /nfs/dbraw/zinc/75/24/66/1164752466.db2.gz BORBVWGSIRDUAP-SNVBAGLBSA-N -1 3 275.287 1.192 20 30 CDEDHM CC1(C)CN(c2c(C#N)cccc2-c2nnn[n-]2)CC[C@@H]1O ZINC001609147213 1164792198 /nfs/dbraw/zinc/79/21/98/1164792198.db2.gz OTOMWLCBHYJUDC-LBPRGKRZSA-N -1 3 298.350 1.336 20 30 CDEDHM CC1(C)CN(c2c(C#N)cccc2-c2nn[n-]n2)CC[C@@H]1O ZINC001609147213 1164792205 /nfs/dbraw/zinc/79/22/05/1164792205.db2.gz OTOMWLCBHYJUDC-LBPRGKRZSA-N -1 3 298.350 1.336 20 30 CDEDHM CCCNC(=O)CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609215657 1164851682 /nfs/dbraw/zinc/85/16/82/1164851682.db2.gz XMXKIRMMJHTXMK-UHFFFAOYSA-N -1 3 299.338 1.067 20 30 CDEDHM CCCNC(=O)CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609215657 1164851676 /nfs/dbraw/zinc/85/16/76/1164851676.db2.gz XMXKIRMMJHTXMK-UHFFFAOYSA-N -1 3 299.338 1.067 20 30 CDEDHM CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)CC(C)(C)C#N ZINC001609279131 1164880313 /nfs/dbraw/zinc/88/03/13/1164880313.db2.gz QOVGDAWYJQNAGF-UHFFFAOYSA-N -1 3 288.330 1.987 20 30 CDEDHM CN(Cc1ccc(F)c(-c2nn[n-]n2)c1)CC(C)(C)C#N ZINC001609279131 1164880319 /nfs/dbraw/zinc/88/03/19/1164880319.db2.gz QOVGDAWYJQNAGF-UHFFFAOYSA-N -1 3 288.330 1.987 20 30 CDEDHM C=CCCCN(C)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001609329193 1164903625 /nfs/dbraw/zinc/90/36/25/1164903625.db2.gz IXUKZIGPVOLCBV-LBPRGKRZSA-N -1 3 256.346 1.110 20 30 CDEDHM COc1ccc(CNC[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC001609355417 1164908720 /nfs/dbraw/zinc/90/87/20/1164908720.db2.gz FHAFVWHZRCESTO-VIFPVBQESA-N -1 3 272.312 1.125 20 30 CDEDHM COc1ccc(CNC[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC001609355417 1164908725 /nfs/dbraw/zinc/90/87/25/1164908725.db2.gz FHAFVWHZRCESTO-VIFPVBQESA-N -1 3 272.312 1.125 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1CON=C(N)c1ccco1 ZINC001609388607 1164924220 /nfs/dbraw/zinc/92/42/20/1164924220.db2.gz WVRJTTFJIQHEGR-UHFFFAOYSA-N -1 3 298.306 1.605 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1CON=C(N)c1ccco1 ZINC001609388607 1164924227 /nfs/dbraw/zinc/92/42/27/1164924227.db2.gz WVRJTTFJIQHEGR-UHFFFAOYSA-N -1 3 298.306 1.605 20 30 CDEDHM N#CC1(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC001609494412 1164976261 /nfs/dbraw/zinc/97/62/61/1164976261.db2.gz CYHXNNLZCXJWGN-UHFFFAOYSA-N -1 3 288.698 1.306 20 30 CDEDHM N#CC1(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC001609494412 1164976263 /nfs/dbraw/zinc/97/62/63/1164976263.db2.gz CYHXNNLZCXJWGN-UHFFFAOYSA-N -1 3 288.698 1.306 20 30 CDEDHM C#C[C@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588325443 1173025628 /nfs/dbraw/zinc/02/56/28/1173025628.db2.gz LMIQLGBKJKUKLM-VIFPVBQESA-N -1 3 259.288 1.459 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c21 ZINC001588326792 1173029362 /nfs/dbraw/zinc/02/93/62/1173029362.db2.gz VHSPAJPNTNNSPM-SECBINFHSA-N -1 3 294.318 1.490 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c21 ZINC001588326792 1173029367 /nfs/dbraw/zinc/02/93/67/1173029367.db2.gz VHSPAJPNTNNSPM-SECBINFHSA-N -1 3 294.318 1.490 20 30 CDEDHM C#CCCOC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588346937 1173047369 /nfs/dbraw/zinc/04/73/69/1173047369.db2.gz CHZQUQISUHSORO-UHFFFAOYSA-N -1 3 276.683 1.700 20 30 CDEDHM C#CCCOC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588346937 1173047373 /nfs/dbraw/zinc/04/73/73/1173047373.db2.gz CHZQUQISUHSORO-UHFFFAOYSA-N -1 3 276.683 1.700 20 30 CDEDHM C#CCCCN1CCc2c1cccc2-c1nnn[n-]1 ZINC001588346156 1173048424 /nfs/dbraw/zinc/04/84/24/1173048424.db2.gz ZVDXPLHJAIPKQF-UHFFFAOYSA-N -1 3 253.309 1.643 20 30 CDEDHM C#CCCCN1CCc2c1cccc2-c1nn[n-]n1 ZINC001588346156 1173048429 /nfs/dbraw/zinc/04/84/29/1173048429.db2.gz ZVDXPLHJAIPKQF-UHFFFAOYSA-N -1 3 253.309 1.643 20 30 CDEDHM C#CCCNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001588347636 1173048440 /nfs/dbraw/zinc/04/84/40/1173048440.db2.gz VQXBMRTZPFAWCH-UHFFFAOYSA-N -1 3 270.340 1.994 20 30 CDEDHM C#CCCNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001588347636 1173048447 /nfs/dbraw/zinc/04/84/47/1173048447.db2.gz VQXBMRTZPFAWCH-UHFFFAOYSA-N -1 3 270.340 1.994 20 30 CDEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC12CC2 ZINC001588381753 1173056490 /nfs/dbraw/zinc/05/64/90/1173056490.db2.gz SRBUBSWGCPAUHD-GFCCVEGCSA-N -1 3 268.324 1.742 20 30 CDEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC12CC2 ZINC001588381753 1173056495 /nfs/dbraw/zinc/05/64/95/1173056495.db2.gz SRBUBSWGCPAUHD-GFCCVEGCSA-N -1 3 268.324 1.742 20 30 CDEDHM C(=NNCCc1ccncc1)c1cccc(-c2nnn[n-]2)c1 ZINC001588381586 1173058053 /nfs/dbraw/zinc/05/80/53/1173058053.db2.gz JYRKSXNHCPJZEG-UHFFFAOYSA-N -1 3 293.334 1.428 20 30 CDEDHM C(=NNCCc1ccncc1)c1cccc(-c2nn[n-]n2)c1 ZINC001588381586 1173058061 /nfs/dbraw/zinc/05/80/61/1173058061.db2.gz JYRKSXNHCPJZEG-UHFFFAOYSA-N -1 3 293.334 1.428 20 30 CDEDHM C=C(C)C[C@H](CO)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001588406911 1173060651 /nfs/dbraw/zinc/06/06/51/1173060651.db2.gz YWFSXCXBDYWMEE-SNVBAGLBSA-N -1 3 260.301 1.001 20 30 CDEDHM C=C(C)C[C@H](CO)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001588406911 1173060658 /nfs/dbraw/zinc/06/06/58/1173060658.db2.gz YWFSXCXBDYWMEE-SNVBAGLBSA-N -1 3 260.301 1.001 20 30 CDEDHM C=C1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588462220 1173065107 /nfs/dbraw/zinc/06/51/07/1173065107.db2.gz IWLAFEWKUHGNGB-UHFFFAOYSA-N -1 3 286.339 1.671 20 30 CDEDHM C=C1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588462220 1173065113 /nfs/dbraw/zinc/06/51/13/1173065113.db2.gz IWLAFEWKUHGNGB-UHFFFAOYSA-N -1 3 286.339 1.671 20 30 CDEDHM C=C[C@@H](COC)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588526170 1173073760 /nfs/dbraw/zinc/07/37/60/1173073760.db2.gz RBVQENZBGMJNCC-VIFPVBQESA-N -1 3 290.283 1.388 20 30 CDEDHM C=C[C@@H](COC)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588526170 1173073766 /nfs/dbraw/zinc/07/37/66/1173073766.db2.gz RBVQENZBGMJNCC-VIFPVBQESA-N -1 3 290.283 1.388 20 30 CDEDHM C=CC1CCN(c2ncncc2-c2nnn[n-]2)CC1 ZINC001588530455 1173075208 /nfs/dbraw/zinc/07/52/08/1173075208.db2.gz MGOBUGFLLOQRPN-UHFFFAOYSA-N -1 3 257.301 1.059 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588564843 1173084230 /nfs/dbraw/zinc/08/42/30/1173084230.db2.gz RHFDWPVIDUFOST-LLVKDONJSA-N -1 3 283.335 1.966 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588564843 1173084236 /nfs/dbraw/zinc/08/42/36/1173084236.db2.gz RHFDWPVIDUFOST-LLVKDONJSA-N -1 3 283.335 1.966 20 30 CDEDHM C=CCN(CCC#N)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588632120 1173093223 /nfs/dbraw/zinc/09/32/23/1173093223.db2.gz KIORUTKQKCUETL-UHFFFAOYSA-N -1 3 299.294 1.681 20 30 CDEDHM C=CCN1CC[C@H](Oc2ccccc2-c2nnn[n-]2)C1=O ZINC001588657786 1173096809 /nfs/dbraw/zinc/09/68/09/1173096809.db2.gz WOUILVIGAPJYJN-LBPRGKRZSA-N -1 3 285.307 1.032 20 30 CDEDHM C=CCN1CC[C@H](Oc2ccccc2-c2nn[n-]n2)C1=O ZINC001588657786 1173096813 /nfs/dbraw/zinc/09/68/13/1173096813.db2.gz WOUILVIGAPJYJN-LBPRGKRZSA-N -1 3 285.307 1.032 20 30 CDEDHM C[C@@H](C#N)COC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588934618 1173116731 /nfs/dbraw/zinc/11/67/31/1173116731.db2.gz QNGCZRQMBYMVHF-ZETCQYMHSA-N -1 3 275.243 1.322 20 30 CDEDHM C[C@@H](C#N)COC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588934618 1173116735 /nfs/dbraw/zinc/11/67/35/1173116735.db2.gz QNGCZRQMBYMVHF-ZETCQYMHSA-N -1 3 275.243 1.322 20 30 CDEDHM C[C@H](CC#N)N(C)c1cc(F)ccc1-c1nnn[n-]1 ZINC001589788469 1173181671 /nfs/dbraw/zinc/18/16/71/1173181671.db2.gz ZEDMRIOAPPCZPD-MRVPVSSYSA-N -1 3 260.276 1.744 20 30 CDEDHM C[C@@H](Nc1cc(C#N)ncn1)c1cccc(-c2nnn[n-]2)c1 ZINC001589979885 1173220608 /nfs/dbraw/zinc/22/06/08/1173220608.db2.gz BHIPUZZUWDDGOC-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@H](Nc1cc(C#N)ncn1)c1cccc(-c2nn[n-]n2)c1 ZINC001589979885 1173220612 /nfs/dbraw/zinc/22/06/12/1173220612.db2.gz BHIPUZZUWDDGOC-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@H](Nc1ccnc(C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001589986966 1173224444 /nfs/dbraw/zinc/22/44/44/1173224444.db2.gz ZLDDWBQYQQNIAI-SECBINFHSA-N -1 3 292.306 1.123 20 30 CDEDHM C[C@@H](Nc1ccnc(C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001589986966 1173224454 /nfs/dbraw/zinc/22/44/54/1173224454.db2.gz ZLDDWBQYQQNIAI-SECBINFHSA-N -1 3 292.306 1.123 20 30 CDEDHM C[C@]1(C#N)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590054068 1173239789 /nfs/dbraw/zinc/23/97/89/1173239789.db2.gz HOOCXDIOKDOMSK-CYBMUJFWSA-N -1 3 298.310 1.029 20 30 CDEDHM C[C@]1(C#N)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001590054068 1173239795 /nfs/dbraw/zinc/23/97/95/1173239795.db2.gz HOOCXDIOKDOMSK-CYBMUJFWSA-N -1 3 298.310 1.029 20 30 CDEDHM C[C@@]1(C#N)CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590056347 1173243531 /nfs/dbraw/zinc/24/35/31/1173243531.db2.gz HTXLVJDFCSCNMF-ZDUSSCGKSA-N -1 3 299.294 1.515 20 30 CDEDHM CCC#CCOC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001590355900 1173373425 /nfs/dbraw/zinc/37/34/25/1173373425.db2.gz WKNPPBCZMLJDPH-UHFFFAOYSA-N -1 3 270.292 1.745 20 30 CDEDHM CCC#CCOC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001590355900 1173373434 /nfs/dbraw/zinc/37/34/34/1173373434.db2.gz WKNPPBCZMLJDPH-UHFFFAOYSA-N -1 3 270.292 1.745 20 30 CDEDHM CC[C@H](C#N)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590367880 1173377574 /nfs/dbraw/zinc/37/75/74/1173377574.db2.gz LYVLLGLEFLPWGD-IDVQTMNDSA-N -1 3 296.334 1.640 20 30 CDEDHM CC[C@H](C#N)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590367880 1173377580 /nfs/dbraw/zinc/37/75/80/1173377580.db2.gz LYVLLGLEFLPWGD-IDVQTMNDSA-N -1 3 296.334 1.640 20 30 CDEDHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)C#N ZINC001590833238 1173526335 /nfs/dbraw/zinc/52/63/35/1173526335.db2.gz GIAWCEUUEAWWBT-QMMMGPOBSA-N -1 3 258.285 1.589 20 30 CDEDHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)C#N ZINC001590833238 1173526338 /nfs/dbraw/zinc/52/63/38/1173526338.db2.gz GIAWCEUUEAWWBT-QMMMGPOBSA-N -1 3 258.285 1.589 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1OCCO[C@H](C)C#N ZINC001591501802 1173664808 /nfs/dbraw/zinc/66/48/08/1173664808.db2.gz KEYWYXJLSUMMMV-SECBINFHSA-N -1 3 289.295 1.183 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1OCCO[C@H](C)C#N ZINC001591501802 1173664811 /nfs/dbraw/zinc/66/48/11/1173664811.db2.gz KEYWYXJLSUMMMV-SECBINFHSA-N -1 3 289.295 1.183 20 30 CDEDHM Cc1c(NC(=O)N2CC(C)(C#N)C2)cccc1-c1nnn[n-]1 ZINC001591825242 1173708680 /nfs/dbraw/zinc/70/86/80/1173708680.db2.gz FUABVESIRVNYJA-UHFFFAOYSA-N -1 3 297.322 1.553 20 30 CDEDHM Cc1c(NC(=O)N2CC(C)(C#N)C2)cccc1-c1nn[n-]n1 ZINC001591825242 1173708687 /nfs/dbraw/zinc/70/86/87/1173708687.db2.gz FUABVESIRVNYJA-UHFFFAOYSA-N -1 3 297.322 1.553 20 30 CDEDHM Cc1cc(C#N)ccc1Cn1ccc(-c2nnn[n-]2)c1 ZINC001591906433 1173743829 /nfs/dbraw/zinc/74/38/29/1173743829.db2.gz INKPHUUSPUQFMQ-UHFFFAOYSA-N -1 3 264.292 1.897 20 30 CDEDHM Cc1cc(C#N)ccc1Cn1ccc(-c2nn[n-]n2)c1 ZINC001591906433 1173743833 /nfs/dbraw/zinc/74/38/33/1173743833.db2.gz INKPHUUSPUQFMQ-UHFFFAOYSA-N -1 3 264.292 1.897 20 30 CDEDHM Cc1cc(NCCC#N)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592046624 1173785986 /nfs/dbraw/zinc/78/59/86/1173785986.db2.gz LUMOHWLDGHWDBZ-UHFFFAOYSA-N -1 3 273.256 1.409 20 30 CDEDHM Cc1cc(NCCC#N)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592046624 1173785994 /nfs/dbraw/zinc/78/59/94/1173785994.db2.gz LUMOHWLDGHWDBZ-UHFFFAOYSA-N -1 3 273.256 1.409 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)NCC(C)(C)C#N ZINC001592098150 1173798912 /nfs/dbraw/zinc/79/89/12/1173798912.db2.gz RZSPCXWRUJCSAU-UHFFFAOYSA-N -1 3 284.323 1.455 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)NCC(C)(C)C#N ZINC001592098150 1173798916 /nfs/dbraw/zinc/79/89/16/1173798916.db2.gz RZSPCXWRUJCSAU-UHFFFAOYSA-N -1 3 284.323 1.455 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)OCC(C)(C)C#N ZINC001592099993 1173800609 /nfs/dbraw/zinc/80/06/09/1173800609.db2.gz QJDCVDZPRQBRMD-UHFFFAOYSA-N -1 3 285.307 1.882 20 30 CDEDHM Cc1ccc(C#N)c(NCc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001592113030 1173806734 /nfs/dbraw/zinc/80/67/34/1173806734.db2.gz CZYPDWFYPBJMSO-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1ccc(C#N)c(NCc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001592113030 1173806738 /nfs/dbraw/zinc/80/67/38/1173806738.db2.gz CZYPDWFYPBJMSO-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C#N)C1CCCC1 ZINC001592560756 1173918240 /nfs/dbraw/zinc/91/82/40/1173918240.db2.gz QGGJQVFPRQNVIJ-NSHDSACASA-N -1 3 299.338 1.017 20 30 CDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C#N)C1CCCC1 ZINC001592560756 1173918245 /nfs/dbraw/zinc/91/82/45/1173918245.db2.gz QGGJQVFPRQNVIJ-NSHDSACASA-N -1 3 299.338 1.017 20 30 CDEDHM N#C[C@]1(F)CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001592670949 1173961553 /nfs/dbraw/zinc/96/15/53/1173961553.db2.gz WBJKSMAMMISEQF-CYBMUJFWSA-N -1 3 290.277 1.443 20 30 CDEDHM N#C[C@]1(F)CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001592670949 1173961557 /nfs/dbraw/zinc/96/15/57/1173961557.db2.gz WBJKSMAMMISEQF-CYBMUJFWSA-N -1 3 290.277 1.443 20 30 CDEDHM N#C[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001592673244 1173962492 /nfs/dbraw/zinc/96/24/92/1173962492.db2.gz WFTWOYDAUDCYGW-VIFPVBQESA-N -1 3 272.287 1.746 20 30 CDEDHM N#C[C@@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001592673360 1173963620 /nfs/dbraw/zinc/96/36/20/1173963620.db2.gz XRQRVIMWJPKWAL-VIFPVBQESA-N -1 3 272.287 1.746 20 30 CDEDHM N#Cc1ccc(Cn2ccc(-c3nnn[n-]3)c2)cc1F ZINC001592693403 1173970427 /nfs/dbraw/zinc/97/04/27/1173970427.db2.gz AIHXAGMNPBDTFD-UHFFFAOYSA-N -1 3 268.255 1.727 20 30 CDEDHM N#Cc1ccc(Cn2ccc(-c3nn[n-]n3)c2)cc1F ZINC001592693403 1173970432 /nfs/dbraw/zinc/97/04/32/1173970432.db2.gz AIHXAGMNPBDTFD-UHFFFAOYSA-N -1 3 268.255 1.727 20 30 CDEDHM N#Cc1cc(-c2nnn[n-]2)c(SC/C=C/Cl)nc1N ZINC001592686711 1173970597 /nfs/dbraw/zinc/97/05/97/1173970597.db2.gz GXTADTNBMHAMNN-OWOJBTEDSA-N -1 3 293.743 1.560 20 30 CDEDHM N#Cc1cc(-c2nn[n-]n2)c(SC/C=C/Cl)nc1N ZINC001592686711 1173970604 /nfs/dbraw/zinc/97/06/04/1173970604.db2.gz GXTADTNBMHAMNN-OWOJBTEDSA-N -1 3 293.743 1.560 20 30 CDEDHM N#Cc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)s1 ZINC001592693218 1173971557 /nfs/dbraw/zinc/97/15/57/1173971557.db2.gz LVNZPVNBTRMTFX-UHFFFAOYSA-N -1 3 299.319 1.058 20 30 CDEDHM N#Cc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)s1 ZINC001592693218 1173971562 /nfs/dbraw/zinc/97/15/62/1173971562.db2.gz LVNZPVNBTRMTFX-UHFFFAOYSA-N -1 3 299.319 1.058 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1Cc2ccncc2C1 ZINC001592698598 1173973948 /nfs/dbraw/zinc/97/39/48/1173973948.db2.gz DTOWSANTBLBWDA-UHFFFAOYSA-N -1 3 289.302 1.654 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1Cc2ccncc2C1 ZINC001592698598 1173973954 /nfs/dbraw/zinc/97/39/54/1173973954.db2.gz DTOWSANTBLBWDA-UHFFFAOYSA-N -1 3 289.302 1.654 20 30 CDEDHM Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600917928 1174664739 /nfs/dbraw/zinc/66/47/39/1174664739.db2.gz LNASVPYSNUGJJO-RNJXMRFFSA-N -1 3 281.699 1.361 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001602689840 1175356234 /nfs/dbraw/zinc/35/62/34/1175356234.db2.gz MKWVSTULEDZBQZ-SNVBAGLBSA-N -1 3 269.308 1.317 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001602689840 1175356243 /nfs/dbraw/zinc/35/62/43/1175356243.db2.gz MKWVSTULEDZBQZ-SNVBAGLBSA-N -1 3 269.308 1.317 20 30 CDEDHM C#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001602691244 1175357685 /nfs/dbraw/zinc/35/76/85/1175357685.db2.gz VDURHCACZKHADP-ZWNOBZJWSA-N -1 3 299.334 1.554 20 30 CDEDHM C#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001602691244 1175357690 /nfs/dbraw/zinc/35/76/90/1175357690.db2.gz 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1173052102 /nfs/dbraw/zinc/05/21/02/1173052102.db2.gz LTZNYNDWCODXJP-UHFFFAOYSA-N -1 3 295.346 1.380 20 30 CDEDHM C#CCN(CC)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588350263 1173052108 /nfs/dbraw/zinc/05/21/08/1173052108.db2.gz LTZNYNDWCODXJP-UHFFFAOYSA-N -1 3 295.346 1.380 20 30 CDEDHM C#Cc1ccc(CNc2cc(-c3nnn[n-]3)cnn2)cc1 ZINC001588373690 1173052442 /nfs/dbraw/zinc/05/24/42/1173052442.db2.gz QTWXEAWIRPAABN-UHFFFAOYSA-N -1 3 277.291 1.250 20 30 CDEDHM C#Cc1ccc(CNc2cc(-c3nn[n-]n3)cnn2)cc1 ZINC001588373690 1173052451 /nfs/dbraw/zinc/05/24/51/1173052451.db2.gz QTWXEAWIRPAABN-UHFFFAOYSA-N -1 3 277.291 1.250 20 30 CDEDHM C=C[C@@H](C)ONC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588518639 1173072466 /nfs/dbraw/zinc/07/24/66/1173072466.db2.gz HZQGYXBJDFOBGV-SSDOTTSWSA-N -1 3 292.274 1.633 20 30 CDEDHM C=C[C@@H](C)ONC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588518639 1173072472 /nfs/dbraw/zinc/07/24/72/1173072472.db2.gz HZQGYXBJDFOBGV-SSDOTTSWSA-N -1 3 292.274 1.633 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588527366 1173073891 /nfs/dbraw/zinc/07/38/91/1173073891.db2.gz JASRQLKCGMJDQS-CQSZACIVSA-N -1 3 297.362 1.976 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588527366 1173073895 /nfs/dbraw/zinc/07/38/95/1173073895.db2.gz JASRQLKCGMJDQS-CQSZACIVSA-N -1 3 297.362 1.976 20 30 CDEDHM C=C[C@@H](COC)NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588526052 1173075248 /nfs/dbraw/zinc/07/52/48/1173075248.db2.gz PIZBQYWXGDZFFW-JTQLQIEISA-N -1 3 287.323 1.106 20 30 CDEDHM C=C[C@@H](COC)NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588526052 1173075259 /nfs/dbraw/zinc/07/52/59/1173075259.db2.gz PIZBQYWXGDZFFW-JTQLQIEISA-N -1 3 287.323 1.106 20 30 CDEDHM C=CCC(F)(F)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588545896 1173081256 /nfs/dbraw/zinc/08/12/56/1173081256.db2.gz QQRIZVRUESBWBZ-UHFFFAOYSA-N -1 3 280.234 1.984 20 30 CDEDHM C=CCC(F)(F)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588545896 1173081269 /nfs/dbraw/zinc/08/12/69/1173081269.db2.gz QQRIZVRUESBWBZ-UHFFFAOYSA-N -1 3 280.234 1.984 20 30 CDEDHM C=CCCOC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588608642 1173089626 /nfs/dbraw/zinc/08/96/26/1173089626.db2.gz AVWOTKDDWSHSLL-UHFFFAOYSA-N -1 3 259.269 1.303 20 30 CDEDHM C=CCCOC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588608642 1173089635 /nfs/dbraw/zinc/08/96/35/1173089635.db2.gz AVWOTKDDWSHSLL-UHFFFAOYSA-N -1 3 259.269 1.303 20 30 CDEDHM C=CCN(C)C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588626783 1173091019 /nfs/dbraw/zinc/09/10/19/1173091019.db2.gz RRGUTIBXEDNLRP-UHFFFAOYSA-N -1 3 261.260 1.264 20 30 CDEDHM C=CCN(C)C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588626783 1173091022 /nfs/dbraw/zinc/09/10/22/1173091022.db2.gz RRGUTIBXEDNLRP-UHFFFAOYSA-N -1 3 261.260 1.264 20 30 CDEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccnc(C)n1 ZINC001588780683 1173104492 /nfs/dbraw/zinc/10/44/92/1173104492.db2.gz JNQSEGMEHHHQFZ-UHFFFAOYSA-N -1 3 294.322 1.801 20 30 CDEDHM CC(=NN[C@@H](C)CC#N)c1ccccc1-c1nnn[n-]1 ZINC001588776184 1173105788 /nfs/dbraw/zinc/10/57/88/1173105788.db2.gz CMHZPWSNWRJTJP-VIFPVBQESA-N -1 3 269.312 1.482 20 30 CDEDHM CC(=NN[C@@H](C)CC#N)c1ccccc1-c1nn[n-]n1 ZINC001588776184 1173105791 /nfs/dbraw/zinc/10/57/91/1173105791.db2.gz CMHZPWSNWRJTJP-VIFPVBQESA-N -1 3 269.312 1.482 20 30 CDEDHM CC(C)(C#N)CNCc1csc(-c2nnn[n-]2)c1 ZINC001589035928 1173120432 /nfs/dbraw/zinc/12/04/32/1173120432.db2.gz CONCKYLQTRSYMX-UHFFFAOYSA-N -1 3 262.342 1.568 20 30 CDEDHM CC(C)(C#N)CNCc1csc(-c2nn[n-]n2)c1 ZINC001589035928 1173120434 /nfs/dbraw/zinc/12/04/34/1173120434.db2.gz CONCKYLQTRSYMX-UHFFFAOYSA-N -1 3 262.342 1.568 20 30 CDEDHM C[C@@H](CC#N)NN=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001589787876 1173181407 /nfs/dbraw/zinc/18/14/07/1173181407.db2.gz QUNLUBMGJWPFAE-ZETCQYMHSA-N -1 3 291.265 1.371 20 30 CDEDHM C[C@H](CC#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589788077 1173181333 /nfs/dbraw/zinc/18/13/33/1173181333.db2.gz SXOIPKZZMIQQKM-VQCYPWCPSA-N -1 3 282.307 1.298 20 30 CDEDHM C[C@H](CC#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 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CCCCOC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590605679 1173474397 /nfs/dbraw/zinc/47/43/97/1173474397.db2.gz KUPXYQJTSQDNDX-ZDUSSCGKSA-N -1 3 299.334 1.892 20 30 CDEDHM COCCCON=Cc1ccccc1-c1nnn[n-]1 ZINC001591417035 1173650176 /nfs/dbraw/zinc/65/01/76/1173650176.db2.gz HXZWKHNZRLKXQJ-UHFFFAOYSA-N -1 3 261.285 1.254 20 30 CDEDHM COCCCON=Cc1ccccc1-c1nn[n-]n1 ZINC001591417035 1173650180 /nfs/dbraw/zinc/65/01/80/1173650180.db2.gz HXZWKHNZRLKXQJ-UHFFFAOYSA-N -1 3 261.285 1.254 20 30 CDEDHM N#CCC1(CNc2cnccc2-c2nnn[n-]2)CC1 ZINC001592674501 1173964882 /nfs/dbraw/zinc/96/48/82/1173964882.db2.gz DRIROESRSNHELM-UHFFFAOYSA-N -1 3 255.285 1.367 20 30 CDEDHM N#CCC1(CNc2cnccc2-c2nn[n-]n2)CC1 ZINC001592674501 1173964887 /nfs/dbraw/zinc/96/48/87/1173964887.db2.gz DRIROESRSNHELM-UHFFFAOYSA-N -1 3 255.285 1.367 20 30 CDEDHM N#CCCNc1ncc(Br)cc1-c1nnn[n-]1 ZINC001592677427 1173968154 /nfs/dbraw/zinc/96/81/54/1173968154.db2.gz AHNMCCZBXKNXCI-UHFFFAOYSA-N -1 3 294.116 1.350 20 30 CDEDHM N#CCCNc1ncc(Br)cc1-c1nn[n-]n1 ZINC001592677427 1173968159 /nfs/dbraw/zinc/96/81/59/1173968159.db2.gz AHNMCCZBXKNXCI-UHFFFAOYSA-N -1 3 294.116 1.350 20 30 CDEDHM N#CCn1cc(Nc2cc(F)ccc2-c2nnn[n-]2)cn1 ZINC001592680976 1173969463 /nfs/dbraw/zinc/96/94/63/1173969463.db2.gz QAFBMUTTWYOKJL-UHFFFAOYSA-N -1 3 284.258 1.469 20 30 CDEDHM N#CCn1cc(Nc2cc(F)ccc2-c2nn[n-]n2)cn1 ZINC001592680976 1173969465 /nfs/dbraw/zinc/96/94/65/1173969465.db2.gz QAFBMUTTWYOKJL-UHFFFAOYSA-N -1 3 284.258 1.469 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@H](C(F)F)C1 ZINC001592698241 1173975845 /nfs/dbraw/zinc/97/58/45/1173975845.db2.gz RBCIDWHVNVFKEY-VIFPVBQESA-N -1 3 290.277 1.830 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@H](C(F)F)C1 ZINC001592698241 1173975853 /nfs/dbraw/zinc/97/58/53/1173975853.db2.gz RBCIDWHVNVFKEY-VIFPVBQESA-N -1 3 290.277 1.830 20 30 CDEDHM N#Cc1cncc(CSc2ccncc2-c2nnn[n-]2)c1 ZINC001592704438 1173977135 /nfs/dbraw/zinc/97/71/35/1173977135.db2.gz LTLOYKFIIBNEEY-UHFFFAOYSA-N -1 3 295.331 1.821 20 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DBMMYNVVISFVNE-UHFFFAOYSA-N -1 3 299.294 1.020 20 30 CDEDHM C#CC1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001602696167 1175361326 /nfs/dbraw/zinc/36/13/26/1175361326.db2.gz DBMMYNVVISFVNE-UHFFFAOYSA-N -1 3 299.294 1.020 20 30 CDEDHM C=C(C)[C@H](CO)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001602747500 1175383328 /nfs/dbraw/zinc/38/33/28/1175383328.db2.gz TUOGXXMIAXUOLA-WPRPVWTQSA-N -1 3 267.247 1.262 20 30 CDEDHM C(CCc1ccc(-c2nnn[n-]2)cc1)=NN1CCOCC1 ZINC001602747017 1175384328 /nfs/dbraw/zinc/38/43/28/1175384328.db2.gz VDPBNLITAQGJQW-UHFFFAOYSA-N -1 3 286.339 1.117 20 30 CDEDHM C(CCc1ccc(-c2nn[n-]n2)cc1)=NN1CCOCC1 ZINC001602747017 1175384336 /nfs/dbraw/zinc/38/43/36/1175384336.db2.gz VDPBNLITAQGJQW-UHFFFAOYSA-N -1 3 286.339 1.117 20 30 CDEDHM C=CCCCNC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001602840351 1175426830 /nfs/dbraw/zinc/42/68/30/1175426830.db2.gz XPFCHMTVFWWBGO-UHFFFAOYSA-N -1 3 298.350 1.858 20 30 CDEDHM C=CCCCNC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001602840351 1175426834 /nfs/dbraw/zinc/42/68/34/1175426834.db2.gz XPFCHMTVFWWBGO-UHFFFAOYSA-N -1 3 298.350 1.858 20 30 CDEDHM C=CCN(CC=C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602850741 1175435550 /nfs/dbraw/zinc/43/55/50/1175435550.db2.gz TVCCTKIBYBLWPY-UHFFFAOYSA-N -1 3 286.295 1.953 20 30 CDEDHM C=CCN(CC=C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602850741 1175435551 /nfs/dbraw/zinc/43/55/51/1175435551.db2.gz TVCCTKIBYBLWPY-UHFFFAOYSA-N -1 3 286.295 1.953 20 30 CDEDHM CC#CCCOC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001602894351 1175445812 /nfs/dbraw/zinc/44/58/12/1175445812.db2.gz XZWFDRPIEBYCOT-UHFFFAOYSA-N -1 3 270.292 1.745 20 30 CDEDHM CC#CCCOC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001602894351 1175445814 /nfs/dbraw/zinc/44/58/14/1175445814.db2.gz XZWFDRPIEBYCOT-UHFFFAOYSA-N -1 3 270.292 1.745 20 30 CDEDHM C[C@H](C#N)CNN=Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602989110 1175473275 /nfs/dbraw/zinc/47/32/75/1175473275.db2.gz NNASJRHBJQFVBS-MRVPVSSYSA-N -1 3 273.275 1.089 20 30 CDEDHM C[C@H](C#N)CNN=Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602989110 1175473279 /nfs/dbraw/zinc/47/32/79/1175473279.db2.gz NNASJRHBJQFVBS-MRVPVSSYSA-N -1 3 273.275 1.089 20 30 CDEDHM CC(C)(C)C#CCOC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001603055184 1175483374 /nfs/dbraw/zinc/48/33/74/1175483374.db2.gz SFQNATNHHSLZDO-UHFFFAOYSA-N -1 3 273.296 1.401 20 30 CDEDHM CC(C)(C)C#CCOC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001603055184 1175483377 /nfs/dbraw/zinc/48/33/77/1175483377.db2.gz SFQNATNHHSLZDO-UHFFFAOYSA-N -1 3 273.296 1.401 20 30 CDEDHM O=C(C/C=C\Cc1ccccc1)N[C@@H]1CCCN([O-])C1=O ZINC000823162176 697673894 /nfs/dbraw/zinc/67/38/94/697673894.db2.gz XXOOIUBIFQRRQJ-ZRUQZJFASA-N -1 3 288.347 1.672 20 30 CDEDHM Cn1ccc2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)cc21 ZINC000868563281 697744468 /nfs/dbraw/zinc/74/44/68/697744468.db2.gz PUYMMJPKCXQCRZ-LBPRGKRZSA-N -1 3 287.319 1.288 20 30 CDEDHM [O-]c1ccc(F)c(C=NN[C@@H]2CCCOC2)c1F ZINC000794537705 697745354 /nfs/dbraw/zinc/74/53/54/697745354.db2.gz ZFLMUJYVFTYOSK-MRVPVSSYSA-N -1 3 256.252 1.773 20 30 CDEDHM 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575464985 /nfs/dbraw/zinc/46/49/85/575464985.db2.gz VVDLOJRSRRGWPB-UHFFFAOYSA-N -1 3 254.257 1.036 20 30 CDEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ncc[nH]1 ZINC000735401033 575464987 /nfs/dbraw/zinc/46/49/87/575464987.db2.gz VVDLOJRSRRGWPB-UHFFFAOYSA-N -1 3 254.257 1.036 20 30 CDEDHM N#CCN(C(=O)c1nnc2ccccc2c1[O-])C1CC1 ZINC000735652727 575495438 /nfs/dbraw/zinc/49/54/38/575495438.db2.gz QYEQCKPGOGLFPI-UHFFFAOYSA-N -1 3 268.276 1.464 20 30 CDEDHM C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000736108533 575564881 /nfs/dbraw/zinc/56/48/81/575564881.db2.gz XYYLYGAGZBIYCA-NWDGAFQWSA-N -1 3 268.357 1.228 20 30 CDEDHM CS(=O)(=O)NN=Cc1cc(Br)ccc1[O-] ZINC000764700045 575935221 /nfs/dbraw/zinc/93/52/21/575935221.db2.gz NOTUQLZJBKWDKI-UHFFFAOYSA-N -1 3 293.142 1.038 20 30 CDEDHM COc1cccc(F)c1C(C)=N[N-]S(C)(=O)=O ZINC000764702940 575935971 /nfs/dbraw/zinc/93/59/71/575935971.db2.gz AKHSKZLRGYJDQY-UHFFFAOYSA-N -1 3 260.290 1.108 20 30 CDEDHM C=CCCS(=O)(=O)[N-]C[C@H](OC)C(F)(F)F ZINC000765182840 575995612 /nfs/dbraw/zinc/99/56/12/575995612.db2.gz DRPCJOPLPBBBOE-ZETCQYMHSA-N -1 3 261.265 1.059 20 30 CDEDHM O=C1CN(N=Cc2ccc(F)cc2Cl)C(=O)[N-]1 ZINC000767761305 576226874 /nfs/dbraw/zinc/22/68/74/576226874.db2.gz JQZKYICUZLXILA-UHFFFAOYSA-N -1 3 255.636 1.365 20 30 CDEDHM N#CCOc1cccc(NC([O-])=NOCC(F)F)c1 ZINC000759951242 576446966 /nfs/dbraw/zinc/44/69/66/576446966.db2.gz DVNHPYFUCNGAPB-UHFFFAOYSA-N -1 3 271.223 1.907 20 30 CDEDHM N#CCOc1cccc(NC(=O)[N-]OCC(F)F)c1 ZINC000759951242 576446969 /nfs/dbraw/zinc/44/69/69/576446969.db2.gz DVNHPYFUCNGAPB-UHFFFAOYSA-N -1 3 271.223 1.907 20 30 CDEDHM CC(=N[N-]S(=O)(=O)c1ccccc1)C(F)(F)F ZINC000761744001 576591243 /nfs/dbraw/zinc/59/12/43/576591243.db2.gz WFDBNXLYYSOOBH-UHFFFAOYSA-N -1 3 266.244 1.903 20 30 CDEDHM C#C[C@H](C)OC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000744178718 576668688 /nfs/dbraw/zinc/66/86/88/576668688.db2.gz HXVCKTNKCFDGHB-QMMMGPOBSA-N -1 3 299.286 1.011 20 30 CDEDHM O=C1CN(N=Cc2cccc(Br)c2)C(=O)[N-]1 ZINC000744807322 576698659 /nfs/dbraw/zinc/69/86/59/576698659.db2.gz WWFCJFZKVJPNNF-UHFFFAOYSA-N -1 3 282.097 1.335 20 30 CDEDHM COc1cccc(C=NN2CC(=O)[N-]C2=O)c1OC(F)F ZINC000744810563 576699109 /nfs/dbraw/zinc/69/91/09/576699109.db2.gz SCCBLTBLRROAFU-UHFFFAOYSA-N -1 3 299.233 1.182 20 30 CDEDHM CC[C@]1(C)NC(=O)N(N=Cc2cc(F)ccc2[O-])C1=O ZINC000755555667 576949517 /nfs/dbraw/zinc/94/95/17/576949517.db2.gz SOXGNGXIEFWOQU-ZDUSSCGKSA-N -1 3 279.271 1.586 20 30 CDEDHM c1ccc(-c2n[n-]nc2CN=Nc2cnccn2)cc1 ZINC000755633375 576953081 /nfs/dbraw/zinc/95/30/81/576953081.db2.gz DOMBBKPMZSSRQL-UHFFFAOYSA-N -1 3 265.280 1.708 20 30 CDEDHM COc1cc(C(=O)[O-])ccc1N=NC1CN(C)C[C@@H]1C ZINC000756898862 577014293 /nfs/dbraw/zinc/01/42/93/577014293.db2.gz DXXDFSQDNSDIIN-VIFPVBQESA-N -1 3 277.324 1.743 20 30 CDEDHM Clc1csc(C=N[N-]c2[nH+]cnc3[n-]cnc32)n1 ZINC000758107092 577071730 /nfs/dbraw/zinc/07/17/30/577071730.db2.gz LMOHZOHCDWAFMH-UHFFFAOYSA-N -1 3 279.716 1.909 20 30 CDEDHM C[C@H]1C[C@H]1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000758375660 577102809 /nfs/dbraw/zinc/10/28/09/577102809.db2.gz XHAMMJHAGJHEOV-JQWIXIFHSA-N -1 3 252.339 1.748 20 30 CDEDHM N#Cc1ccccc1/C=C\C(=O)[N-]OCC(F)F ZINC000759349013 577172812 /nfs/dbraw/zinc/17/28/12/577172812.db2.gz GBUWPCUNOYKQDL-WAYWQWQTSA-N -1 3 252.220 1.884 20 30 CDEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc[nH]c1 ZINC000819718483 607253636 /nfs/dbraw/zinc/25/36/36/607253636.db2.gz JFAWWDQTZRZCCK-UHFFFAOYSA-N -1 3 267.296 1.319 20 30 CDEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc[nH]c1 ZINC000819718483 607253637 /nfs/dbraw/zinc/25/36/37/607253637.db2.gz JFAWWDQTZRZCCK-UHFFFAOYSA-N -1 3 267.296 1.319 20 30 CDEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000819718902 607253744 /nfs/dbraw/zinc/25/37/44/607253744.db2.gz TYCNEWUQGPFTOF-UHFFFAOYSA-N -1 3 268.280 1.583 20 30 CDEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000819718902 607253745 /nfs/dbraw/zinc/25/37/45/607253745.db2.gz TYCNEWUQGPFTOF-UHFFFAOYSA-N -1 3 268.280 1.583 20 30 CDEDHM C#CCCCCCCN1CCOC[C@H]1CC(=O)[O-] ZINC000902001832 618447987 /nfs/dbraw/zinc/44/79/87/618447987.db2.gz UZVUQFSIDAWEJH-CYBMUJFWSA-N -1 3 253.342 1.746 20 30 CDEDHM C[C@H](C#N)CNN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000819855898 607325413 /nfs/dbraw/zinc/32/54/13/607325413.db2.gz GGONUPKQWMJAHT-SSDOTTSWSA-N -1 3 261.314 1.011 20 30 CDEDHM C[C@H](C#N)CNN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000819855898 607325414 /nfs/dbraw/zinc/32/54/14/607325414.db2.gz GGONUPKQWMJAHT-SSDOTTSWSA-N -1 3 261.314 1.011 20 30 CDEDHM C#CC[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001602702341 1175365505 /nfs/dbraw/zinc/36/55/05/1175365505.db2.gz FTZITJOMNDYMFC-LLVKDONJSA-N -1 3 268.324 1.420 20 30 CDEDHM C#CC[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001602702341 1175365512 /nfs/dbraw/zinc/36/55/12/1175365512.db2.gz FTZITJOMNDYMFC-LLVKDONJSA-N -1 3 268.324 1.420 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC001602716563 1175370845 /nfs/dbraw/zinc/37/08/45/1175370845.db2.gz IBHWYVLGTDAZPK-UHFFFAOYSA-N -1 3 287.298 1.490 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC001602716563 1175370849 /nfs/dbraw/zinc/37/08/49/1175370849.db2.gz IBHWYVLGTDAZPK-UHFFFAOYSA-N -1 3 287.298 1.490 20 30 CDEDHM C#CCOCCN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001602729316 1175376576 /nfs/dbraw/zinc/37/65/76/1175376576.db2.gz OFEWYYPXURTVEG-UHFFFAOYSA-N -1 3 292.730 1.001 20 30 CDEDHM C#CCOCCN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001602729316 1175376586 /nfs/dbraw/zinc/37/65/86/1175376586.db2.gz OFEWYYPXURTVEG-UHFFFAOYSA-N -1 3 292.730 1.001 20 30 CDEDHM C=C(C)C[C@H]([NH2+]Cc1csc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001602756585 1175389034 /nfs/dbraw/zinc/38/90/34/1175389034.db2.gz RLFRECNSDPVTSF-VIFPVBQESA-N -1 3 293.352 1.437 20 30 CDEDHM C=C(CCC(=O)[O-])C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC001602777874 1175398100 /nfs/dbraw/zinc/39/81/00/1175398100.db2.gz HMAAAFZYBLEMMX-LLVKDONJSA-N -1 3 266.341 1.174 20 30 CDEDHM N#CC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCC1 ZINC000822802129 606251485 /nfs/dbraw/zinc/25/14/85/606251485.db2.gz WADKNGLDLDQCJN-UHFFFAOYSA-N -1 3 285.311 1.151 20 30 CDEDHM N#CC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC000822802129 606251486 /nfs/dbraw/zinc/25/14/86/606251486.db2.gz WADKNGLDLDQCJN-UHFFFAOYSA-N -1 3 285.311 1.151 20 30 CDEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000820689840 606321130 /nfs/dbraw/zinc/32/11/30/606321130.db2.gz CUEAOLKWNSWLSV-XPTSAGLGSA-N -1 3 299.338 1.397 20 30 CDEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000820689840 606321132 /nfs/dbraw/zinc/32/11/32/606321132.db2.gz CUEAOLKWNSWLSV-XPTSAGLGSA-N -1 3 299.338 1.397 20 30 CDEDHM N#CC1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822806987 606540225 /nfs/dbraw/zinc/54/02/25/606540225.db2.gz XNJONYAVEHPXDU-UHFFFAOYSA-N -1 3 296.334 1.171 20 30 CDEDHM N#CC1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822806987 606540226 /nfs/dbraw/zinc/54/02/26/606540226.db2.gz XNJONYAVEHPXDU-UHFFFAOYSA-N -1 3 296.334 1.171 20 30 CDEDHM C[C@@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCO1 ZINC000820577444 606680538 /nfs/dbraw/zinc/68/05/38/606680538.db2.gz PXVJTAIQCVYJBB-AWEZNQCLSA-N -1 3 298.306 1.246 20 30 CDEDHM C[C@@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCO1 ZINC000820577444 606680539 /nfs/dbraw/zinc/68/05/39/606680539.db2.gz PXVJTAIQCVYJBB-AWEZNQCLSA-N -1 3 298.306 1.246 20 30 CDEDHM CO[C@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821673946 606835994 /nfs/dbraw/zinc/83/59/94/606835994.db2.gz PDTZWLKTDJAXFV-SECBINFHSA-N -1 3 260.301 1.689 20 30 CDEDHM CO[C@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821673946 606835996 /nfs/dbraw/zinc/83/59/96/606835996.db2.gz PDTZWLKTDJAXFV-SECBINFHSA-N -1 3 260.301 1.689 20 30 CDEDHM C=CC[C@H](C)OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602811775 1175412394 /nfs/dbraw/zinc/41/23/94/1175412394.db2.gz PKFGXKFRWPTIKW-VIFPVBQESA-N -1 3 273.296 1.692 20 30 CDEDHM C=CC[C@H](C)OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602811775 1175412399 /nfs/dbraw/zinc/41/23/99/1175412399.db2.gz PKFGXKFRWPTIKW-VIFPVBQESA-N -1 3 273.296 1.692 20 30 CDEDHM CCN(CC#N)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821165451 607059845 /nfs/dbraw/zinc/05/98/45/607059845.db2.gz SHRDXEXWIMLKIG-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM CCN(CC#N)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821165451 607059846 /nfs/dbraw/zinc/05/98/46/607059846.db2.gz SHRDXEXWIMLKIG-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM N#Cc1ccc(NC(=O)Cc2ccco2)cc1-c1nnn[n-]1 ZINC000822829844 607238456 /nfs/dbraw/zinc/23/84/56/607238456.db2.gz LPVGKZHJIBAGJX-UHFFFAOYSA-N -1 3 294.274 1.513 20 30 CDEDHM N#Cc1ccc(NC(=O)Cc2ccco2)cc1-c1nn[n-]n1 ZINC000822829844 607238457 /nfs/dbraw/zinc/23/84/57/607238457.db2.gz LPVGKZHJIBAGJX-UHFFFAOYSA-N -1 3 294.274 1.513 20 30 CDEDHM C=CCCOCCNc1ccc(-c2nn[n-]n2)cc1 ZINC000823899338 607934698 /nfs/dbraw/zinc/93/46/98/607934698.db2.gz SSVPGKXKWNNHIT-UHFFFAOYSA-N -1 3 259.313 1.871 20 30 CDEDHM Fc1cnc(N=NCc2ccccc2-c2nnn[n-]2)nc1 ZINC000826378324 608016534 /nfs/dbraw/zinc/01/65/34/608016534.db2.gz DVEJKXWZHPRFCA-UHFFFAOYSA-N -1 3 284.258 1.242 20 30 CDEDHM Fc1cnc(N=NCc2ccccc2-c2nn[n-]n2)nc1 ZINC000826378324 608016535 /nfs/dbraw/zinc/01/65/35/608016535.db2.gz DVEJKXWZHPRFCA-UHFFFAOYSA-N -1 3 284.258 1.242 20 30 CDEDHM C#CC1(O)CN(Cc2ccc(Br)cc2[O-])C1 ZINC000898145328 621340903 /nfs/dbraw/zinc/34/09/03/621340903.db2.gz XYWHMXBTPGISCE-UHFFFAOYSA-N -1 3 282.137 1.335 20 30 CDEDHM O=C(C=Cc1cncnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826403296 609271336 /nfs/dbraw/zinc/27/13/36/609271336.db2.gz OKORKZCTOPXKPE-PLNGDYQASA-N -1 3 278.275 1.553 20 30 CDEDHM O=C(C=Cc1cncnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826403296 609271337 /nfs/dbraw/zinc/27/13/37/609271337.db2.gz OKORKZCTOPXKPE-PLNGDYQASA-N -1 3 278.275 1.553 20 30 CDEDHM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cnn1C ZINC000826234198 609406375 /nfs/dbraw/zinc/40/63/75/609406375.db2.gz LWDNIZYNAZPDRE-SREVYHEPSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cnn1C ZINC000826234198 609406378 /nfs/dbraw/zinc/40/63/78/609406378.db2.gz LWDNIZYNAZPDRE-SREVYHEPSA-N -1 3 294.318 1.805 20 30 CDEDHM CC(C)OCCNN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000824315199 609418122 /nfs/dbraw/zinc/41/81/22/609418122.db2.gz MSBVLCPRBYJVPQ-UHFFFAOYSA-N -1 3 280.357 1.277 20 30 CDEDHM C[C@H]1C[C@@H](NN=Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824892857 609519049 /nfs/dbraw/zinc/51/90/49/609519049.db2.gz NHXWRHROPPTCFB-JQWIXIFHSA-N -1 3 286.339 1.358 20 30 CDEDHM C[C@H]1C[C@@H](NN=Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824892857 609519052 /nfs/dbraw/zinc/51/90/52/609519052.db2.gz NHXWRHROPPTCFB-JQWIXIFHSA-N -1 3 286.339 1.358 20 30 CDEDHM CC#CCCCC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000890529989 617198573 /nfs/dbraw/zinc/19/85/73/617198573.db2.gz HCRUJVCRZNYFJE-LBPRGKRZSA-N -1 3 288.351 1.071 20 30 CDEDHM Cc1c(Cl)cnc(NC[C@@H](C)C#N)c1-c1nnn[n-]1 ZINC000826239978 609564202 /nfs/dbraw/zinc/56/42/02/609564202.db2.gz WRZQEJXHSDIITN-LURJTMIESA-N -1 3 277.719 1.795 20 30 CDEDHM Cc1c(Cl)cnc(NC[C@@H](C)C#N)c1-c1nn[n-]n1 ZINC000826239978 609564203 /nfs/dbraw/zinc/56/42/03/609564203.db2.gz WRZQEJXHSDIITN-LURJTMIESA-N -1 3 277.719 1.795 20 30 CDEDHM C=C(C)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1 ZINC000973041796 613338913 /nfs/dbraw/zinc/33/89/13/613338913.db2.gz AXYAVWJHXHAWHJ-LLVKDONJSA-N -1 3 292.383 1.440 20 30 CDEDHM C=C[C@@](C)(CCOC)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893206744 617463589 /nfs/dbraw/zinc/46/35/89/617463589.db2.gz ILIGUMUALPJNFZ-HNNXBMFYSA-N -1 3 291.351 1.690 20 30 CDEDHM Cc1nc(N2CCN(c3ccc(C#N)nc3)CC2)cc(=O)[n-]1 ZINC000893702374 617876564 /nfs/dbraw/zinc/87/65/64/617876564.db2.gz DWCGAKKNXBZMCC-UHFFFAOYSA-N -1 3 296.334 1.084 20 30 CDEDHM C=CCOC[C@@H](NCc1cccc2c1OCO2)C(=O)[O-] ZINC000901809560 618261213 /nfs/dbraw/zinc/26/12/13/618261213.db2.gz SBYVPOUZQVRQKI-LLVKDONJSA-N -1 3 279.292 1.161 20 30 CDEDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C#N)C2)c1 ZINC000928220386 618575977 /nfs/dbraw/zinc/57/59/77/618575977.db2.gz GOMDEZYOULMGNX-LLVKDONJSA-N -1 3 287.319 1.726 20 30 CDEDHM N#CCCCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826381484 618592242 /nfs/dbraw/zinc/59/22/42/618592242.db2.gz NONXPFYVURICMI-CQSZACIVSA-N -1 3 298.350 1.544 20 30 CDEDHM N#CCCCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826381484 618592251 /nfs/dbraw/zinc/59/22/51/618592251.db2.gz NONXPFYVURICMI-CQSZACIVSA-N -1 3 298.350 1.544 20 30 CDEDHM Cc1ccc(C#N)c(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)n1 ZINC000894375581 618832469 /nfs/dbraw/zinc/83/24/69/618832469.db2.gz ROWCCRSZTHPEIG-LLVKDONJSA-N -1 3 269.308 1.684 20 30 CDEDHM CCOc1cccc(F)c1CN[C@H]1CCCN([O-])C1=O ZINC000895158191 619373937 /nfs/dbraw/zinc/37/39/37/619373937.db2.gz XUAYWVPMONCTRB-LBPRGKRZSA-N -1 3 282.315 1.694 20 30 CDEDHM Cc1cccc(CN[C@@H]2CCCN([O-])C2=O)c1F ZINC000895159591 619377176 /nfs/dbraw/zinc/37/71/76/619377176.db2.gz WEYNLVMAIJRDNX-LLVKDONJSA-N -1 3 252.289 1.604 20 30 CDEDHM O=C1[C@H](NCc2ccnc(Cl)c2Cl)CCCN1[O-] ZINC000895161691 619380263 /nfs/dbraw/zinc/38/02/63/619380263.db2.gz SWTKONLZZXCGQL-MRVPVSSYSA-N -1 3 290.150 1.858 20 30 CDEDHM O=C1[C@@H](NCc2cc3ccccc3o2)CCCN1[O-] ZINC000895167280 619398120 /nfs/dbraw/zinc/39/81/20/619398120.db2.gz YBMFZFRTGXMONU-LBPRGKRZSA-N -1 3 260.293 1.903 20 30 CDEDHM CO[C@@H]1C[C@H](/N=C/c2c([O-])c(C)ncc2CO)C12CCC2 ZINC000840710864 620356755 /nfs/dbraw/zinc/35/67/55/620356755.db2.gz MJYRQMMQJYITSC-LHPWLWLSSA-N -1 3 290.363 1.964 20 30 CDEDHM N#Cc1ccc(CCC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC000898728767 621851810 /nfs/dbraw/zinc/85/18/10/621851810.db2.gz BJSLUTDZBMLOQR-CQSZACIVSA-N -1 3 298.346 1.119 20 30 CDEDHM Cc1cc(C#N)ccc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898737798 621856939 /nfs/dbraw/zinc/85/69/39/621856939.db2.gz VNZYTTVUDRCEJP-LBPRGKRZSA-N -1 3 284.319 1.109 20 30 CDEDHM COCCO[N-]C(=O)/C=C/C(=O)c1ccc(C)cc1 ZINC000900956972 623725394 /nfs/dbraw/zinc/72/53/94/623725394.db2.gz ZSNCTTWJPGBDJC-BQYQJAHWSA-N -1 3 263.293 1.428 20 30 CDEDHM CC(=NNC(=S)N(C)C)c1ccc(F)c([O-])c1 ZINC000901185940 623927553 /nfs/dbraw/zinc/92/75/53/623927553.db2.gz SRGRLSFXPLRPGL-UHFFFAOYSA-N -1 3 255.318 1.691 20 30 CDEDHM C=CC[C@H]1CCCC[C@H]1NCc1cn(CC(=O)[O-])nn1 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CC[C@@H](C#N)NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001590855430 1173527386 /nfs/dbraw/zinc/52/73/86/1173527386.db2.gz ZXPJUXRPMZVIAZ-VIFPVBQESA-N -1 3 270.296 1.207 20 30 CDEDHM CC[C@@H](C#N)NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001590855430 1173527393 /nfs/dbraw/zinc/52/73/93/1173527393.db2.gz ZXPJUXRPMZVIAZ-VIFPVBQESA-N -1 3 270.296 1.207 20 30 CDEDHM CN(Cc1cc(-c2nnn[n-]2)ccn1)[C@H]1CCC[C@@H]1C#N ZINC001591125814 1173574783 /nfs/dbraw/zinc/57/47/83/1173574783.db2.gz WECUTESMAXVZRM-YPMHNXCESA-N -1 3 283.339 1.386 20 30 CDEDHM CN(Cc1cc(-c2nn[n-]n2)ccn1)[C@H]1CCC[C@@H]1C#N ZINC001591125814 1173574788 /nfs/dbraw/zinc/57/47/88/1173574788.db2.gz WECUTESMAXVZRM-YPMHNXCESA-N -1 3 283.339 1.386 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cn1 ZINC001591137146 1173577945 /nfs/dbraw/zinc/57/79/45/1173577945.db2.gz VVPOUWVCHKACAQ-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cn1 ZINC001591137146 1173577947 /nfs/dbraw/zinc/57/79/47/1173577947.db2.gz VVPOUWVCHKACAQ-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cccnc1C#N ZINC001591137152 1173579669 /nfs/dbraw/zinc/57/96/69/1173579669.db2.gz WLTMMMBQMSCLQI-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cccnc1C#N ZINC001591137152 1173579674 /nfs/dbraw/zinc/57/96/74/1173579674.db2.gz WLTMMMBQMSCLQI-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM CN(Cc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCC[C@H]1C#N ZINC001591150187 1173580648 /nfs/dbraw/zinc/58/06/48/1173580648.db2.gz SYCJMHJGXXSIIS-AAEUAGOBSA-N -1 3 283.339 1.386 20 30 CDEDHM COc1cc(C=NNC2CCCC2)ccc1-c1nnn[n-]1 ZINC001591522982 1173666518 /nfs/dbraw/zinc/66/65/18/1173666518.db2.gz NVTBJTCKKYRYCR-UHFFFAOYSA-N -1 3 286.339 1.741 20 30 CDEDHM COc1cc(C=NNC2CCCC2)ccc1-c1nn[n-]n1 ZINC001591522982 1173666524 /nfs/dbraw/zinc/66/65/24/1173666524.db2.gz NVTBJTCKKYRYCR-UHFFFAOYSA-N -1 3 286.339 1.741 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N1CC(C)(C#N)C1 ZINC001591837738 1173713076 /nfs/dbraw/zinc/71/30/76/1173713076.db2.gz KWPMYXMNEUJHQD-UHFFFAOYSA-N -1 3 296.334 1.469 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N1CC(C)(C#N)C1 ZINC001591837738 1173713080 /nfs/dbraw/zinc/71/30/80/1173713080.db2.gz KWPMYXMNEUJHQD-UHFFFAOYSA-N -1 3 296.334 1.469 20 30 CDEDHM Cc1cc(C=NN2CCCC2=O)ccc1-c1nnn[n-]1 ZINC001591959988 1173755789 /nfs/dbraw/zinc/75/57/89/1173755789.db2.gz XUVIGSDFGCMOID-UHFFFAOYSA-N -1 3 270.296 1.131 20 30 CDEDHM Cc1cc(C=NN2CCCC2=O)ccc1-c1nn[n-]n1 ZINC001591959988 1173755792 /nfs/dbraw/zinc/75/57/92/1173755792.db2.gz XUVIGSDFGCMOID-UHFFFAOYSA-N -1 3 270.296 1.131 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccc(F)cc1C ZINC001591993230 1173768176 /nfs/dbraw/zinc/76/81/76/1173768176.db2.gz ZASHBDDEFIOPNC-UHFFFAOYSA-N -1 3 297.297 1.739 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccc(F)cc1C ZINC001591993230 1173768178 /nfs/dbraw/zinc/76/81/78/1173768178.db2.gz ZASHBDDEFIOPNC-UHFFFAOYSA-N -1 3 297.297 1.739 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)c(NCC#C[Si](C)(C)C)n1 ZINC001592085645 1173793894 /nfs/dbraw/zinc/79/38/94/1173793894.db2.gz GIAQNMBSACYFOL-UHFFFAOYSA-N -1 3 286.415 1.863 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)c(NCC#C[Si](C)(C)C)n1 ZINC001592085645 1173793899 /nfs/dbraw/zinc/79/38/99/1173793899.db2.gz GIAQNMBSACYFOL-UHFFFAOYSA-N -1 3 286.415 1.863 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](CC#N)C2)n1 ZINC001592080423 1173795085 /nfs/dbraw/zinc/79/50/85/1173795085.db2.gz MQXLVRLFAROSSN-LLVKDONJSA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](CC#N)C2)n1 ZINC001592080423 1173795096 /nfs/dbraw/zinc/79/50/96/1173795096.db2.gz MQXLVRLFAROSSN-LLVKDONJSA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1ccc(C(=O)NCC(C)(C)CC#N)cc1-c1nnn[n-]1 ZINC001592123204 1173810280 /nfs/dbraw/zinc/81/02/80/1173810280.db2.gz GBNPPLWTYUSQIC-UHFFFAOYSA-N -1 3 298.350 1.845 20 30 CDEDHM Cc1ccc(C(=O)NCC(C)(C)CC#N)cc1-c1nn[n-]n1 ZINC001592123204 1173810283 /nfs/dbraw/zinc/81/02/83/1173810283.db2.gz GBNPPLWTYUSQIC-UHFFFAOYSA-N -1 3 298.350 1.845 20 30 CDEDHM Cn1c(C(=O)N(CC#N)C2CCCC2)ccc1-c1nnn[n-]1 ZINC001592550621 1173918860 /nfs/dbraw/zinc/91/88/60/1173918860.db2.gz VUBUJPFFWKRGBS-UHFFFAOYSA-N -1 3 299.338 1.114 20 30 CDEDHM Cn1c(C(=O)N(CC#N)C2CCCC2)ccc1-c1nn[n-]n1 ZINC001592550621 1173918865 /nfs/dbraw/zinc/91/88/65/1173918865.db2.gz VUBUJPFFWKRGBS-UHFFFAOYSA-N -1 3 299.338 1.114 20 30 CDEDHM N#C[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001592672599 1173962634 /nfs/dbraw/zinc/96/26/34/1173962634.db2.gz LDTDNBIWOUHSOO-LLVKDONJSA-N -1 3 286.314 1.741 20 30 CDEDHM N#C[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001592672599 1173962637 /nfs/dbraw/zinc/96/26/37/1173962637.db2.gz LDTDNBIWOUHSOO-LLVKDONJSA-N -1 3 286.314 1.741 20 30 CDEDHM N#Cc1cnn(Cc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC001592704021 1173977096 /nfs/dbraw/zinc/97/70/96/1173977096.db2.gz ODJYESDBZYBADV-UHFFFAOYSA-N -1 3 269.243 1.122 20 30 CDEDHM N#Cc1cnn(Cc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC001592704021 1173977101 /nfs/dbraw/zinc/97/71/01/1173977101.db2.gz ODJYESDBZYBADV-UHFFFAOYSA-N -1 3 269.243 1.122 20 30 CDEDHM Cn1c(Cl)cnc1C(C#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001600917926 1174664979 /nfs/dbraw/zinc/66/49/79/1174664979.db2.gz LNASVPYSNUGJJO-GJMOJQLCSA-N -1 3 281.699 1.361 20 30 CDEDHM N#CCCCC[C@H](N)C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001601065085 1174724892 /nfs/dbraw/zinc/72/48/92/1174724892.db2.gz UFNAKVCELSJKQZ-CVZZAPKMSA-N -1 3 279.340 1.006 20 30 CDEDHM N#Cc1cccc(CNCc2ccc(C(=O)[O-])[nH]2)c1 ZINC001601122549 1174750530 /nfs/dbraw/zinc/75/05/30/1174750530.db2.gz AIXGNLQLWWMUHS-UHFFFAOYSA-N -1 3 255.277 1.874 20 30 CDEDHM N#Cc1cccc(CN[C@]2(CC(=O)[O-])CCCOC2)c1F ZINC001601123320 1174750696 /nfs/dbraw/zinc/75/06/96/1174750696.db2.gz VJGZKGICMKBXGB-HNNXBMFYSA-N -1 3 292.310 1.811 20 30 CDEDHM N#Cc1cccc(CN2CC3CC2(C(=O)[O-])C3)c1F ZINC001601122327 1174751357 /nfs/dbraw/zinc/75/13/57/1174751357.db2.gz IQDLYTOGRWJDPZ-UHFFFAOYSA-N -1 3 260.268 1.746 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602690410 1175355465 /nfs/dbraw/zinc/35/54/65/1175355465.db2.gz VELGEYJCCYKNLS-SECBINFHSA-N -1 3 289.726 1.662 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602690410 1175355472 /nfs/dbraw/zinc/35/54/72/1175355472.db2.gz VELGEYJCCYKNLS-SECBINFHSA-N -1 3 289.726 1.662 20 30 CDEDHM C#CCCCC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001602704648 1175367281 /nfs/dbraw/zinc/36/72/81/1175367281.db2.gz ZYBJZHWWUQUGPW-CQSZACIVSA-N -1 3 295.346 1.254 20 30 CDEDHM C#CCCCC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001602704648 1175367292 /nfs/dbraw/zinc/36/72/92/1175367292.db2.gz ZYBJZHWWUQUGPW-CQSZACIVSA-N -1 3 295.346 1.254 20 30 CDEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602753544 1175386588 /nfs/dbraw/zinc/38/65/88/1175386588.db2.gz QNSJWXBBTGAERF-GXFFZTMASA-N -1 3 286.339 1.655 20 30 CDEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001602753544 1175386596 /nfs/dbraw/zinc/38/65/96/1175386596.db2.gz QNSJWXBBTGAERF-GXFFZTMASA-N -1 3 286.339 1.655 20 30 CDEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602753547 1175387734 /nfs/dbraw/zinc/38/77/34/1175387734.db2.gz QNSJWXBBTGAERF-MFKMUULPSA-N -1 3 286.339 1.655 20 30 CDEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001602753547 1175387738 /nfs/dbraw/zinc/38/77/38/1175387738.db2.gz QNSJWXBBTGAERF-MFKMUULPSA-N -1 3 286.339 1.655 20 30 CDEDHM C=C(C)CNC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001602763061 1175392927 /nfs/dbraw/zinc/39/29/27/1175392927.db2.gz WEJZVHBASSIQDQ-UHFFFAOYSA-N -1 3 282.307 1.654 20 30 CDEDHM C=C[C@@H](C)NC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001602798864 1175405761 /nfs/dbraw/zinc/40/57/61/1175405761.db2.gz SRBLTIYWGZDJPZ-SNVBAGLBSA-N -1 3 286.339 1.283 20 30 CDEDHM C=C[C@@H](C)NC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001602798864 1175405765 /nfs/dbraw/zinc/40/57/65/1175405765.db2.gz SRBLTIYWGZDJPZ-SNVBAGLBSA-N -1 3 286.339 1.283 20 30 CDEDHM CC#CCN(C)[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001602894141 1175446914 /nfs/dbraw/zinc/44/69/14/1175446914.db2.gz QORGBKLYRBPTBD-LLVKDONJSA-N -1 3 298.350 1.149 20 30 CDEDHM CC#CCN(C)[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001602894141 1175446917 /nfs/dbraw/zinc/44/69/17/1175446917.db2.gz QORGBKLYRBPTBD-LLVKDONJSA-N -1 3 298.350 1.149 20 30 CDEDHM CC(=[NH+][N-]c1cccc(-c2nnn[n-]2)c1)c1ccc(N)nc1 ZINC001602908385 1175449048 /nfs/dbraw/zinc/44/90/48/1175449048.db2.gz VPPRKGLOLVVGPS-UHFFFAOYSA-N -1 3 294.322 1.680 20 30 CDEDHM CC(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(N)nc1 ZINC001602908385 1175449053 /nfs/dbraw/zinc/44/90/53/1175449053.db2.gz VPPRKGLOLVVGPS-UHFFFAOYSA-N -1 3 294.322 1.680 20 30 CDEDHM C[C@H](CC#N)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001603442152 1175553580 /nfs/dbraw/zinc/55/35/80/1175553580.db2.gz IJOZONHGNZYYEZ-SSDOTTSWSA-N -1 3 289.274 1.429 20 30 CDEDHM C[C@H](CC#N)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001603442152 1175553589 /nfs/dbraw/zinc/55/35/89/1175553589.db2.gz IJOZONHGNZYYEZ-SSDOTTSWSA-N -1 3 289.274 1.429 20 30 CDEDHM CC(=O)CCCCCCC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848134628 705543687 /nfs/dbraw/zinc/54/36/87/705543687.db2.gz CDTSNDBUYVQUCI-GFCCVEGCSA-N -1 3 284.356 1.412 20 30 CDEDHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C)C#N ZINC000826162042 705656918 /nfs/dbraw/zinc/65/69/18/705656918.db2.gz KSKKUSMIBXJRPY-SECBINFHSA-N -1 3 288.311 1.216 20 30 CDEDHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C)C#N ZINC000826162042 705656922 /nfs/dbraw/zinc/65/69/22/705656922.db2.gz KSKKUSMIBXJRPY-SECBINFHSA-N -1 3 288.311 1.216 20 30 CDEDHM Cc1cccc(C)c1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135187 705764318 /nfs/dbraw/zinc/76/43/18/705764318.db2.gz AMASBBDMNKXEPS-LLVKDONJSA-N -1 3 262.309 1.413 20 30 CDEDHM C=CCCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000823894290 705865375 /nfs/dbraw/zinc/86/53/75/705865375.db2.gz MOJJEOGPVVSMLB-JTQLQIEISA-N -1 3 286.339 1.736 20 30 CDEDHM C=CCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000823894290 705865379 /nfs/dbraw/zinc/86/53/79/705865379.db2.gz MOJJEOGPVVSMLB-JTQLQIEISA-N -1 3 286.339 1.736 20 30 CDEDHM 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ZINC000736323593 575623663 /nfs/dbraw/zinc/62/36/63/575623663.db2.gz BMBCNQIQTPGAHZ-LURJTMIESA-N -1 3 275.341 1.606 20 30 CDEDHM CC[C@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000736323593 575623664 /nfs/dbraw/zinc/62/36/64/575623664.db2.gz BMBCNQIQTPGAHZ-LURJTMIESA-N -1 3 275.341 1.606 20 30 CDEDHM CCN(C(=O)[C@@H](C)C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736501594 575678042 /nfs/dbraw/zinc/67/80/42/575678042.db2.gz GCCKQWXDRWBVGR-QWRGUYRKSA-N -1 3 298.350 1.936 20 30 CDEDHM CN1CCC(O[N-]C(=O)COc2ccccc2C#N)CC1 ZINC000773544547 575822500 /nfs/dbraw/zinc/82/25/00/575822500.db2.gz AIWXCXCTHJWOSB-UHFFFAOYSA-N -1 3 289.335 1.079 20 30 CDEDHM CS(=O)(=O)[N-]N=C1CCOc2c(F)cc(F)cc21 ZINC000764704301 575935987 /nfs/dbraw/zinc/93/59/87/575935987.db2.gz MNYFFQDLCBAXIW-UHFFFAOYSA-N -1 3 276.264 1.001 20 30 CDEDHM N#CC(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc2ccccc2[nH]1 ZINC000739074688 576157699 /nfs/dbraw/zinc/15/76/99/576157699.db2.gz LDEVGHGFEZUFGU-DJLDLDEBSA-N -1 3 269.260 1.460 20 30 CDEDHM C#C[C@H](CC)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000768062355 576254964 /nfs/dbraw/zinc/25/49/64/576254964.db2.gz WEHVNNDULOVZII-SNVBAGLBSA-N -1 3 299.323 1.766 20 30 CDEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768864330 576314513 /nfs/dbraw/zinc/31/45/13/576314513.db2.gz AKWSBFNHHCZBSV-QMMMGPOBSA-N -1 3 289.338 1.483 20 30 CDEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)[C@H]1CCOC1 ZINC000741761787 576571530 /nfs/dbraw/zinc/57/15/30/576571530.db2.gz HVKFVDSHPXHKFZ-ZDUSSCGKSA-N -1 3 282.365 1.518 20 30 CDEDHM COc1cc(C(=O)/C=C\c2cn(C)nn2)c(OC)cc1[O-] ZINC000763106137 576713391 /nfs/dbraw/zinc/71/33/91/576713391.db2.gz OESNUVIKJFTKNT-PLNGDYQASA-N -1 3 289.291 1.434 20 30 CDEDHM COc1cccc([O-])c1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753941065 576868003 /nfs/dbraw/zinc/86/80/03/576868003.db2.gz WMXZAHPFMQKLRL-VXGBXAGGSA-N -1 3 288.351 1.595 20 30 CDEDHM C[C@H]1OCCC1=NNc1nc(=O)c2ccccc2[n-]1 ZINC000747765966 576883876 /nfs/dbraw/zinc/88/38/76/576883876.db2.gz LJTWGSSKMAKNSF-MRVPVSSYSA-N -1 3 258.281 1.912 20 30 CDEDHM C=C(C)[C@@H](C)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000755992060 576972478 /nfs/dbraw/zinc/97/24/78/576972478.db2.gz LKWGFSVFZLUICT-SECBINFHSA-N -1 3 250.298 1.849 20 30 CDEDHM C#CCCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000751456515 577042487 /nfs/dbraw/zinc/04/24/87/577042487.db2.gz SOATVMZIBCARNT-UHFFFAOYSA-N -1 3 293.304 1.158 20 30 CDEDHM C#CCCCNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000819693328 599191834 /nfs/dbraw/zinc/19/18/34/599191834.db2.gz QDCOCZYMSPHEKF-LLVKDONJSA-N -1 3 299.334 1.164 20 30 CDEDHM C#CCCCNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000819693328 599191836 /nfs/dbraw/zinc/19/18/36/599191836.db2.gz QDCOCZYMSPHEKF-LLVKDONJSA-N -1 3 299.334 1.164 20 30 CDEDHM C#CCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819697891 607290251 /nfs/dbraw/zinc/29/02/51/607290251.db2.gz NRCSPKRGLOHJOZ-UHFFFAOYSA-N -1 3 270.296 1.320 20 30 CDEDHM C#CCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819697891 607290252 /nfs/dbraw/zinc/29/02/52/607290252.db2.gz NRCSPKRGLOHJOZ-UHFFFAOYSA-N -1 3 270.296 1.320 20 30 CDEDHM CCON=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000821390600 599334261 /nfs/dbraw/zinc/33/42/61/599334261.db2.gz ZJGCNXUPGQPBDH-UHFFFAOYSA-N -1 3 257.297 1.944 20 30 CDEDHM CCON=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000821390600 599334258 /nfs/dbraw/zinc/33/42/58/599334258.db2.gz ZJGCNXUPGQPBDH-UHFFFAOYSA-N -1 3 257.297 1.944 20 30 CDEDHM C[C@]1(C(=O)[O-])CCN(Cc2cc(C#N)ccc2F)C1 ZINC000062936174 601922472 /nfs/dbraw/zinc/92/24/72/601922472.db2.gz ADIGYEWELXEVCT-AWEZNQCLSA-N -1 3 262.284 1.994 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000826246630 607700606 /nfs/dbraw/zinc/70/06/06/607700606.db2.gz IBEDYDYHLIVXPI-YPMHNXCESA-N -1 3 296.334 1.597 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000826246630 607700607 /nfs/dbraw/zinc/70/06/07/607700607.db2.gz IBEDYDYHLIVXPI-YPMHNXCESA-N -1 3 296.334 1.597 20 30 CDEDHM C#CCN1CCC(C(=O)NCC(CC)(CC)C(=O)[O-])CC1 ZINC000833364899 605102332 /nfs/dbraw/zinc/10/23/32/605102332.db2.gz USNSOACOISRHSD-UHFFFAOYSA-N -1 3 294.395 1.339 20 30 CDEDHM C=C(C)CNC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001602762689 1175393007 /nfs/dbraw/zinc/39/30/07/1175393007.db2.gz DLHFGCRYZYLDQW-UHFFFAOYSA-N -1 3 273.296 1.181 20 30 CDEDHM C=C(C)CNC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001602762689 1175393009 /nfs/dbraw/zinc/39/30/09/1175393009.db2.gz DLHFGCRYZYLDQW-UHFFFAOYSA-N -1 3 273.296 1.181 20 30 CDEDHM C[C@H](C#N)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819856342 606061033 /nfs/dbraw/zinc/06/10/33/606061033.db2.gz IUSBDJKFWMHBNL-SSDOTTSWSA-N -1 3 273.256 1.346 20 30 CDEDHM C[C@H](C#N)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819856342 606061037 /nfs/dbraw/zinc/06/10/37/606061037.db2.gz IUSBDJKFWMHBNL-SSDOTTSWSA-N -1 3 273.256 1.346 20 30 CDEDHM CCN(C[C@@H](C)C#N)c1ncccc1-c1nnn[n-]1 ZINC000821169794 606175796 /nfs/dbraw/zinc/17/57/96/606175796.db2.gz DQQXHUSONUPNBO-VIFPVBQESA-N -1 3 257.301 1.248 20 30 CDEDHM CCN(C[C@@H](C)C#N)c1ncccc1-c1nn[n-]n1 ZINC000821169794 606175798 /nfs/dbraw/zinc/17/57/98/606175798.db2.gz DQQXHUSONUPNBO-VIFPVBQESA-N -1 3 257.301 1.248 20 30 CDEDHM N#C[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000822801551 606205984 /nfs/dbraw/zinc/20/59/84/606205984.db2.gz KNTALFOJMBCBPV-GFCCVEGCSA-N -1 3 299.290 1.091 20 30 CDEDHM N#C[C@@H](OC(=O)COc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000822801551 606205985 /nfs/dbraw/zinc/20/59/85/606205985.db2.gz KNTALFOJMBCBPV-GFCCVEGCSA-N -1 3 299.290 1.091 20 30 CDEDHM C#CCN(CC)[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000819698226 606328573 /nfs/dbraw/zinc/32/85/73/606328573.db2.gz VBBVRTFBKOZQAM-CYBMUJFWSA-N -1 3 299.334 1.036 20 30 CDEDHM C#CCN(CC)[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000819698226 606328575 /nfs/dbraw/zinc/32/85/75/606328575.db2.gz VBBVRTFBKOZQAM-CYBMUJFWSA-N -1 3 299.334 1.036 20 30 CDEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819898869 606433600 /nfs/dbraw/zinc/43/36/00/606433600.db2.gz JPSLFUAAHLNCJW-LLVKDONJSA-N -1 3 284.323 1.535 20 30 CDEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819898869 606433602 /nfs/dbraw/zinc/43/36/02/606433602.db2.gz JPSLFUAAHLNCJW-LLVKDONJSA-N -1 3 284.323 1.535 20 30 CDEDHM CC(C)(C)[C@H](C#N)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819899809 606640673 /nfs/dbraw/zinc/64/06/73/606640673.db2.gz ZQIDQSGEITXIBL-LBPRGKRZSA-N -1 3 298.350 1.464 20 30 CDEDHM CC(C)(C)[C@H](C#N)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819899809 606640674 /nfs/dbraw/zinc/64/06/74/606640674.db2.gz ZQIDQSGEITXIBL-LBPRGKRZSA-N -1 3 298.350 1.464 20 30 CDEDHM C=C[C@H](C(=O)[O-])N1CCCN(C(=O)OCC(C)C)CC1 ZINC001602803947 1175404905 /nfs/dbraw/zinc/40/49/05/1175404905.db2.gz JGSIYRFKRGOSBI-GFCCVEGCSA-N -1 3 284.356 1.426 20 30 CDEDHM C=C[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000819729540 606765921 /nfs/dbraw/zinc/76/59/21/606765921.db2.gz ITXKXZUSHJUUEJ-MRVPVSSYSA-N -1 3 258.285 1.563 20 30 CDEDHM C=C[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000819729540 606765923 /nfs/dbraw/zinc/76/59/23/606765923.db2.gz ITXKXZUSHJUUEJ-MRVPVSSYSA-N -1 3 258.285 1.563 20 30 CDEDHM CO[C@H](C)C(C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000821673915 606835789 /nfs/dbraw/zinc/83/57/89/606835789.db2.gz OHGWHWXPGYGPBS-SECBINFHSA-N -1 3 260.301 1.689 20 30 CDEDHM CO[C@H](C)C(C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000821673915 606835790 /nfs/dbraw/zinc/83/57/90/606835790.db2.gz OHGWHWXPGYGPBS-SECBINFHSA-N -1 3 260.301 1.689 20 30 CDEDHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C#N ZINC000824723381 607806128 /nfs/dbraw/zinc/80/61/28/607806128.db2.gz QXJPIIIHNZGMJE-VIFPVBQESA-N -1 3 285.307 1.962 20 30 CDEDHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C#N ZINC000824723381 607806127 /nfs/dbraw/zinc/80/61/27/607806127.db2.gz QXJPIIIHNZGMJE-VIFPVBQESA-N -1 3 285.307 1.962 20 30 CDEDHM Cc1nn(C)cc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826334334 607884764 /nfs/dbraw/zinc/88/47/64/607884764.db2.gz QLIIJHXBJZSZPW-FPLPWBNLSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1nn(C)cc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826334334 607884765 /nfs/dbraw/zinc/88/47/65/607884765.db2.gz QLIIJHXBJZSZPW-FPLPWBNLSA-N -1 3 294.318 1.805 20 30 CDEDHM CCC(CC)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000825108343 607888408 /nfs/dbraw/zinc/88/84/08/607888408.db2.gz WBLHMMPRTAMFEW-UHFFFAOYSA-N -1 3 258.329 1.979 20 30 CDEDHM CCC(CC)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000825108343 607888409 /nfs/dbraw/zinc/88/84/09/607888409.db2.gz WBLHMMPRTAMFEW-UHFFFAOYSA-N -1 3 258.329 1.979 20 30 CDEDHM COc1ccc(-c2nnn[n-]2)cc1CON=C1CCC1 ZINC000826185084 608152066 /nfs/dbraw/zinc/15/20/66/608152066.db2.gz XVZSEDOXFCMCKC-UHFFFAOYSA-N -1 3 273.296 1.932 20 30 CDEDHM COc1ccc(-c2nn[n-]n2)cc1CON=C1CCC1 ZINC000826185084 608152068 /nfs/dbraw/zinc/15/20/68/608152068.db2.gz XVZSEDOXFCMCKC-UHFFFAOYSA-N -1 3 273.296 1.932 20 30 CDEDHM COc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1-c1nn[n-]n1 ZINC000826202655 608581364 /nfs/dbraw/zinc/58/13/64/608581364.db2.gz HMYPZHVIZVMNCT-AAEUAGOBSA-N -1 3 298.350 1.657 20 30 CDEDHM COc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1-c1nnn[n-]1 ZINC000826202655 608581361 /nfs/dbraw/zinc/58/13/61/608581361.db2.gz HMYPZHVIZVMNCT-AAEUAGOBSA-N -1 3 298.350 1.657 20 30 CDEDHM c1cc(CON=C2CCCOCC2)cc(-c2nnn[n-]2)c1 ZINC000826516672 609436050 /nfs/dbraw/zinc/43/60/50/609436050.db2.gz VNZOZGKZVUDGSV-UHFFFAOYSA-N -1 3 287.323 1.940 20 30 CDEDHM c1cc(CON=C2CCCOCC2)cc(-c2nn[n-]n2)c1 ZINC000826516672 609436051 /nfs/dbraw/zinc/43/60/51/609436051.db2.gz VNZOZGKZVUDGSV-UHFFFAOYSA-N -1 3 287.323 1.940 20 30 CDEDHM C=CC(C)(C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000890529077 617198577 /nfs/dbraw/zinc/19/85/77/617198577.db2.gz CLZSCSNPASGVEV-SNVBAGLBSA-N -1 3 276.340 1.089 20 30 CDEDHM C#CCSCC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888120637 620753066 /nfs/dbraw/zinc/75/30/66/620753066.db2.gz SZPLZSJEMZJLHG-UHFFFAOYSA-N -1 3 281.337 1.280 20 30 CDEDHM C#CCSCC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888120637 620753070 /nfs/dbraw/zinc/75/30/70/620753070.db2.gz SZPLZSJEMZJLHG-UHFFFAOYSA-N -1 3 281.337 1.280 20 30 CDEDHM C=CCOC[C@@H](NCc1cccc2c1OCCO2)C(=O)[O-] ZINC000901811587 618267151 /nfs/dbraw/zinc/26/71/51/618267151.db2.gz VHJDBIAKFPJKMK-GFCCVEGCSA-N -1 3 293.319 1.203 20 30 CDEDHM C[C@H](NC(=O)NCCCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824498476 618576799 /nfs/dbraw/zinc/57/67/99/618576799.db2.gz HWHWSEQBAUFGFC-JTQLQIEISA-N -1 3 299.338 1.531 20 30 CDEDHM C[C@H](NC(=O)NCCCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824498476 618576804 /nfs/dbraw/zinc/57/68/04/618576804.db2.gz HWHWSEQBAUFGFC-JTQLQIEISA-N -1 3 299.338 1.531 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826381108 618592647 /nfs/dbraw/zinc/59/26/47/618592647.db2.gz XPACCQDIFQJXSQ-ZYHUDNBSSA-N -1 3 297.322 1.680 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826381108 618592653 /nfs/dbraw/zinc/59/26/53/618592653.db2.gz XPACCQDIFQJXSQ-ZYHUDNBSSA-N -1 3 297.322 1.680 20 30 CDEDHM C=CCN1CC[C@H](N(C)Cc2ccc([O-])c(F)c2)C1=O ZINC000894231739 618740239 /nfs/dbraw/zinc/74/02/39/618740239.db2.gz SLLSVBSQFNQQBD-ZDUSSCGKSA-N -1 3 278.327 1.750 20 30 CDEDHM CN(C)c1cc(F)c(CN[C@H]2CCCN([O-])C2=O)cc1F ZINC000895158408 619375082 /nfs/dbraw/zinc/37/50/82/619375082.db2.gz ZVKQWYSFSNBHOT-LBPRGKRZSA-N -1 3 299.321 1.501 20 30 CDEDHM Cc1cc(CN[C@H]2CCCN([O-])C2=O)cc(Cl)n1 ZINC000895159577 619377204 /nfs/dbraw/zinc/37/72/04/619377204.db2.gz HQEHDYUFKPGVKK-JTQLQIEISA-N -1 3 269.732 1.513 20 30 CDEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)C(=O)OC(C)C)c1[O-] ZINC000840711307 620372781 /nfs/dbraw/zinc/37/27/81/620372781.db2.gz WAZCHYNVDGOHPD-JIURPICXSA-N -1 3 280.324 1.347 20 30 CDEDHM O=C(c1ccc(=O)[nH]n1)N([O-])Cc1ccc(F)cc1 ZINC000900095968 622695795 /nfs/dbraw/zinc/69/57/95/622695795.db2.gz MUEBPUZXOYOMKU-UHFFFAOYSA-N -1 3 263.228 1.353 20 30 CDEDHM C=CCCC[C@@H](N)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000900465816 623096798 /nfs/dbraw/zinc/09/67/98/623096798.db2.gz OUUQIDCJYFTBQI-GHMZBOCLSA-N -1 3 256.346 1.143 20 30 CDEDHM CN1C(=O)CCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904178670 626205314 /nfs/dbraw/zinc/20/53/14/626205314.db2.gz QZQGWHGEJNQNEG-GFCCVEGCSA-N -1 3 280.299 1.554 20 30 CDEDHM NC(=O)NCCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904172644 626209705 /nfs/dbraw/zinc/20/97/05/626209705.db2.gz IEECMVGEISPYJQ-UHFFFAOYSA-N -1 3 283.303 1.382 20 30 CDEDHM CCCCN([O-])C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000904207922 626212808 /nfs/dbraw/zinc/21/28/08/626212808.db2.gz IFMKDROSYBINJC-GHMZBOCLSA-N -1 3 282.340 1.180 20 30 CDEDHM CCCCN([O-])C(=O)CN(C)C(=O)c1cccs1 ZINC000904209316 626213599 /nfs/dbraw/zinc/21/35/99/626213599.db2.gz YKTZMSWQXDSERB-UHFFFAOYSA-N -1 3 270.354 1.838 20 30 CDEDHM CCCCN([O-])C(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000904214737 626227542 /nfs/dbraw/zinc/22/75/42/626227542.db2.gz LBFCHCBVOIHGAS-UHFFFAOYSA-N -1 3 292.401 1.066 20 30 CDEDHM Cc1ncc(CO)c(/C=N/[C@@H]2COC[C@H]2C)c1[O-] ZINC000905002507 626371511 /nfs/dbraw/zinc/37/15/11/626371511.db2.gz ISIYDGHRXGCMQG-KMPSKEEXSA-N -1 3 250.298 1.042 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1CCOC2(CCCC2)C1 ZINC000908407239 628185514 /nfs/dbraw/zinc/18/55/14/628185514.db2.gz USHQQRJZVKQXFE-NWDGAFQWSA-N -1 3 296.367 1.222 20 30 CDEDHM CCc1ccc(C#CC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC000912469308 630015440 /nfs/dbraw/zinc/01/54/40/630015440.db2.gz CEWOZVVWUQOQHA-HNNXBMFYSA-N -1 3 297.358 1.229 20 30 CDEDHM C=CCO[N-]C(=O)CCCNC(=O)c1ccsc1 ZINC000837043963 631767320 /nfs/dbraw/zinc/76/73/20/631767320.db2.gz HRSUVKCCPYRDLS-UHFFFAOYSA-N -1 3 268.338 1.492 20 30 CDEDHM CC(C)(S)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001170306269 1162327936 /nfs/dbraw/zinc/32/79/36/1162327936.db2.gz UZGQTDUCZJXRQP-UHFFFAOYSA-N -1 3 250.331 1.382 20 30 CDEDHM CC(C)(S)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001170306269 1162327940 /nfs/dbraw/zinc/32/79/40/1162327940.db2.gz UZGQTDUCZJXRQP-UHFFFAOYSA-N -1 3 250.331 1.382 20 30 CDEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1(C#N)CC1 ZINC001605250284 1163503233 /nfs/dbraw/zinc/50/32/33/1163503233.db2.gz PKIKBIYMQDCJQA-UHFFFAOYSA-N -1 3 298.306 1.508 20 30 CDEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1(C#N)CC1 ZINC001605250284 1163503242 /nfs/dbraw/zinc/50/32/42/1163503242.db2.gz PKIKBIYMQDCJQA-UHFFFAOYSA-N -1 3 298.306 1.508 20 30 CDEDHM N#Cc1c(F)cccc1Sc1cc(-c2nnn[n-]2)cnn1 ZINC001606358435 1163879219 /nfs/dbraw/zinc/87/92/19/1163879219.db2.gz RLYRJBNFNQAJLU-UHFFFAOYSA-N -1 3 299.294 1.819 20 30 CDEDHM N#Cc1c(F)cccc1Sc1cc(-c2nn[n-]n2)cnn1 ZINC001606358435 1163879224 /nfs/dbraw/zinc/87/92/24/1163879224.db2.gz RLYRJBNFNQAJLU-UHFFFAOYSA-N -1 3 299.294 1.819 20 30 CDEDHM N#Cc1cnn(Cc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC001606388581 1163885743 /nfs/dbraw/zinc/88/57/43/1163885743.db2.gz AONVVTKFOJIRSF-UHFFFAOYSA-N -1 3 285.698 1.637 20 30 CDEDHM N#Cc1cnn(Cc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC001606388581 1163885749 /nfs/dbraw/zinc/88/57/49/1163885749.db2.gz AONVVTKFOJIRSF-UHFFFAOYSA-N -1 3 285.698 1.637 20 30 CDEDHM O=C(C#CC1CC1)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001606457464 1163907927 /nfs/dbraw/zinc/90/79/27/1163907927.db2.gz VUZXVKXVWWEVCM-UHFFFAOYSA-N -1 3 285.282 1.035 20 30 CDEDHM O=C(C#CC1CC1)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001606457464 1163907932 /nfs/dbraw/zinc/90/79/32/1163907932.db2.gz VUZXVKXVWWEVCM-UHFFFAOYSA-N -1 3 285.282 1.035 20 30 CDEDHM C=CCOC1CCC(Nc2cnc(C)[n-]c2=O)CC1 ZINC001173317699 1164294727 /nfs/dbraw/zinc/29/47/27/1164294727.db2.gz NVZKDVMDISTDNQ-BPCQOVAHSA-N -1 3 263.341 1.488 20 30 CDEDHM C#C[C@H](CC)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609018714 1164725681 /nfs/dbraw/zinc/72/56/81/1164725681.db2.gz DMQPPWWMVQQRFP-BZYZDCJZSA-N -1 3 281.319 1.408 20 30 CDEDHM C#C[C@H](CC)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609018714 1164725685 /nfs/dbraw/zinc/72/56/85/1164725685.db2.gz DMQPPWWMVQQRFP-BZYZDCJZSA-N -1 3 281.319 1.408 20 30 CDEDHM C=C[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609052973 1164747540 /nfs/dbraw/zinc/74/75/40/1164747540.db2.gz XDUSEXLVGBTFRI-ZETCQYMHSA-N -1 3 276.275 1.702 20 30 CDEDHM C=C[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609052973 1164747543 /nfs/dbraw/zinc/74/75/43/1164747543.db2.gz XDUSEXLVGBTFRI-ZETCQYMHSA-N -1 3 276.275 1.702 20 30 CDEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCC#N)c1 ZINC001609066190 1164754498 /nfs/dbraw/zinc/75/44/98/1164754498.db2.gz QVZUQAQPUIBNNH-UHFFFAOYSA-N -1 3 256.269 1.395 20 30 CDEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCC#N)c1 ZINC001609066190 1164754502 /nfs/dbraw/zinc/75/45/02/1164754502.db2.gz QVZUQAQPUIBNNH-UHFFFAOYSA-N -1 3 256.269 1.395 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N(CCC#N)C(C)C ZINC001609377021 1164918099 /nfs/dbraw/zinc/91/80/99/1164918099.db2.gz SXGTXFBAMCABRO-UHFFFAOYSA-N -1 3 287.327 1.268 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N(CCC#N)C(C)C ZINC001609377021 1164918108 /nfs/dbraw/zinc/91/81/08/1164918108.db2.gz SXGTXFBAMCABRO-UHFFFAOYSA-N -1 3 287.327 1.268 20 30 CDEDHM Cc1ccc(C(=O)NC(C)(C)C#N)cc1-c1nnn[n-]1 ZINC001609418717 1164941212 /nfs/dbraw/zinc/94/12/12/1164941212.db2.gz VKAVDFSZOLQULF-UHFFFAOYSA-N -1 3 270.296 1.207 20 30 CDEDHM Cc1ccc(C(=O)NC(C)(C)C#N)cc1-c1nn[n-]n1 ZINC001609418717 1164941214 /nfs/dbraw/zinc/94/12/14/1164941214.db2.gz VKAVDFSZOLQULF-UHFFFAOYSA-N -1 3 270.296 1.207 20 30 CDEDHM Cc1nnc([C@H](C)Nc2c(C#N)cccc2-c2nnn[n-]2)o1 ZINC001609460543 1164957864 /nfs/dbraw/zinc/95/78/64/1164957864.db2.gz UBWXGZVXSBTUBZ-ZETCQYMHSA-N -1 3 296.294 1.603 20 30 CDEDHM Cc1nnc([C@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)o1 ZINC001609460543 1164957869 /nfs/dbraw/zinc/95/78/69/1164957869.db2.gz UBWXGZVXSBTUBZ-ZETCQYMHSA-N -1 3 296.294 1.603 20 30 CDEDHM N#Cc1ccc(CN[C@@]2(CC(=O)[O-])CCOC2)c(F)c1 ZINC001610628351 1165386175 /nfs/dbraw/zinc/38/61/75/1165386175.db2.gz ZXFAMGXFMYMYRK-CQSZACIVSA-N -1 3 278.283 1.421 20 30 CDEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC000054178963 1166919042 /nfs/dbraw/zinc/91/90/42/1166919042.db2.gz QBZJBRBNWSTGRP-SSDOTTSWSA-N -1 3 274.733 1.101 20 30 CDEDHM Cc1cc(OC(=O)c2ccc(C#N)o2)ccc1-c1nnn[n-]1 ZINC001581041995 1172583689 /nfs/dbraw/zinc/58/36/89/1172583689.db2.gz YXUYJEFXJMZLGE-UHFFFAOYSA-N -1 3 295.258 1.859 20 30 CDEDHM Cc1cc(OC(=O)c2ccc(C#N)o2)ccc1-c1nn[n-]n1 ZINC001581041995 1172583695 /nfs/dbraw/zinc/58/36/95/1172583695.db2.gz YXUYJEFXJMZLGE-UHFFFAOYSA-N -1 3 295.258 1.859 20 30 CDEDHM N#Cc1cncc(Sc2cccc(F)c2-c2nnn[n-]2)n1 ZINC001581883533 1172626236 /nfs/dbraw/zinc/62/62/36/1172626236.db2.gz NDWBHSIXRYMJIP-UHFFFAOYSA-N -1 3 299.294 1.819 20 30 CDEDHM N#Cc1cnc(COc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001581876832 1172626914 /nfs/dbraw/zinc/62/69/14/1172626914.db2.gz ITQDHWFDUOOLBJ-UHFFFAOYSA-N -1 3 279.263 1.107 20 30 CDEDHM C#C[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588332025 1172660153 /nfs/dbraw/zinc/66/01/53/1172660153.db2.gz FMMFLWPSRXMMQI-LLVKDONJSA-N -1 3 268.324 1.562 20 30 CDEDHM C#C[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588332025 1172660157 /nfs/dbraw/zinc/66/01/57/1172660157.db2.gz FMMFLWPSRXMMQI-LLVKDONJSA-N -1 3 268.324 1.562 20 30 CDEDHM C#CC[C@@H]1CCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001588338011 1172661377 /nfs/dbraw/zinc/66/13/77/1172661377.db2.gz ZSZJOTDRZGHJTA-SNVBAGLBSA-N -1 3 271.299 1.855 20 30 CDEDHM C#CC[C@@H]1CCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001588338011 1172661380 /nfs/dbraw/zinc/66/13/80/1172661380.db2.gz ZSZJOTDRZGHJTA-SNVBAGLBSA-N -1 3 271.299 1.855 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588325298 1173024835 /nfs/dbraw/zinc/02/48/35/1173024835.db2.gz JRUUPNASVRFORE-MRVPVSSYSA-N -1 3 288.286 1.491 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588325298 1173024841 /nfs/dbraw/zinc/02/48/41/1173024841.db2.gz JRUUPNASVRFORE-MRVPVSSYSA-N -1 3 288.286 1.491 20 30 CDEDHM C#CC(C)(C)NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001588325549 1173025518 /nfs/dbraw/zinc/02/55/18/1173025518.db2.gz OJCPOCYDMPETQI-UHFFFAOYSA-N -1 3 294.318 1.490 20 30 CDEDHM C#CC(C)(C)NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001588325549 1173025522 /nfs/dbraw/zinc/02/55/22/1173025522.db2.gz OJCPOCYDMPETQI-UHFFFAOYSA-N -1 3 294.318 1.490 20 30 CDEDHM C#CCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001588348329 1173045946 /nfs/dbraw/zinc/04/59/46/1173045946.db2.gz QJIDZBNUZLGCBP-UHFFFAOYSA-N -1 3 297.362 1.670 20 30 CDEDHM C#CCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001588348329 1173045952 /nfs/dbraw/zinc/04/59/52/1173045952.db2.gz QJIDZBNUZLGCBP-UHFFFAOYSA-N -1 3 297.362 1.670 20 30 CDEDHM C#CCOC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588358860 1173054733 /nfs/dbraw/zinc/05/47/33/1173054733.db2.gz VTYIKQYZWNJLRD-UHFFFAOYSA-N -1 3 296.330 1.855 20 30 CDEDHM C#CCOC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588358860 1173054737 /nfs/dbraw/zinc/05/47/37/1173054737.db2.gz VTYIKQYZWNJLRD-UHFFFAOYSA-N -1 3 296.330 1.855 20 30 CDEDHM C=C[C@@](C)(O)CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001588502169 1173070171 /nfs/dbraw/zinc/07/01/71/1173070171.db2.gz RGXHOLOJDNKFPY-OAHLLOKOSA-N -1 3 299.334 1.083 20 30 CDEDHM C=C[C@@](C)(O)CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001588502169 1173070176 /nfs/dbraw/zinc/07/01/76/1173070176.db2.gz RGXHOLOJDNKFPY-OAHLLOKOSA-N -1 3 299.334 1.083 20 30 CDEDHM C=C[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001588527543 1173074491 /nfs/dbraw/zinc/07/44/91/1173074491.db2.gz ODOWIDCLKMZSQT-JTQLQIEISA-N -1 3 256.313 1.807 20 30 CDEDHM C=C[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001588527543 1173074497 /nfs/dbraw/zinc/07/44/97/1173074497.db2.gz ODOWIDCLKMZSQT-JTQLQIEISA-N -1 3 256.313 1.807 20 30 CDEDHM C=CC[C@@H](C)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588539460 1173078784 /nfs/dbraw/zinc/07/87/84/1173078784.db2.gz LRCNYIAVNNHJKA-SNVBAGLBSA-N -1 3 288.307 1.753 20 30 CDEDHM C=CC[C@@H](C)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588539460 1173078787 /nfs/dbraw/zinc/07/87/87/1173078787.db2.gz LRCNYIAVNNHJKA-SNVBAGLBSA-N -1 3 288.307 1.753 20 30 CDEDHM C=CCCN(C)C(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001588603210 1173088615 /nfs/dbraw/zinc/08/86/15/1173088615.db2.gz HMYGSNDCUJSNLJ-UHFFFAOYSA-N -1 3 296.334 1.996 20 30 CDEDHM C=CCCN(C)C(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001588603210 1173088623 /nfs/dbraw/zinc/08/86/23/1173088623.db2.gz HMYGSNDCUJSNLJ-UHFFFAOYSA-N -1 3 296.334 1.996 20 30 CDEDHM C=CCN(C(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CC1 ZINC001588625421 1173090793 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C[C@H](NC(=O)C#CC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589913297 1173204134 /nfs/dbraw/zinc/20/41/34/1173204134.db2.gz LFMIMYBNCRGYAJ-JTQLQIEISA-N -1 3 281.319 1.457 20 30 CDEDHM C[C@H](NC(=O)C#CC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589913297 1173204138 /nfs/dbraw/zinc/20/41/38/1173204138.db2.gz LFMIMYBNCRGYAJ-JTQLQIEISA-N -1 3 281.319 1.457 20 30 CDEDHM C[C@@]1(C#N)CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590053852 1173240479 /nfs/dbraw/zinc/24/04/79/1173240479.db2.gz GETXINWHCSWTHO-ZFWWWQNUSA-N -1 3 298.350 1.136 20 30 CDEDHM CC1(C)OCC[C@H]1NN=Cc1ccccc1-c1nnn[n-]1 ZINC001590118494 1173262404 /nfs/dbraw/zinc/26/24/04/1173262404.db2.gz LROARFSMPKXWCM-GFCCVEGCSA-N -1 3 286.339 1.358 20 30 CDEDHM CC1(C)OCC[C@H]1NN=Cc1ccccc1-c1nn[n-]n1 ZINC001590118494 1173262411 /nfs/dbraw/zinc/26/24/11/1173262411.db2.gz LROARFSMPKXWCM-GFCCVEGCSA-N -1 3 286.339 1.358 20 30 CDEDHM CC1CC(C#N)(C(=O)OCc2cncc(-c3nnn[n-]3)c2)C1 ZINC001590179833 1173280095 /nfs/dbraw/zinc/28/00/95/1173280095.db2.gz 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C[C@H]1CN([O-])C(=O)[C@H]1Nc1nccc([Si](C)(C)C)c1F ZINC001171364876 932869534 /nfs/dbraw/zinc/86/95/34/932869534.db2.gz DBOAQWIVHINWPR-KWQFWETISA-N -1 3 297.406 1.414 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc2[nH]cnc2c1F ZINC001171368309 932884389 /nfs/dbraw/zinc/88/43/89/932884389.db2.gz CTPZECKIKMPTST-WKEGUHRASA-N -1 3 264.260 1.350 20 30 CDEDHM N#Cc1cccc(NC(=O)Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001202780038 934200404 /nfs/dbraw/zinc/20/04/04/934200404.db2.gz SGHASJMLUYWGNM-UHFFFAOYSA-N -1 3 287.304 1.987 20 30 CDEDHM C[C@H]1CN=C(NN=Cc2cccc(Br)c2[O-])N1 ZINC000779792165 934708641 /nfs/dbraw/zinc/70/86/41/934708641.db2.gz JZCHJMXCDWMUAN-ZETCQYMHSA-N -1 3 297.156 1.426 20 30 CDEDHM CC#CCN1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001010272269 935451410 /nfs/dbraw/zinc/45/14/10/935451410.db2.gz SCCHGZVHOCAPSH-GFCCVEGCSA-N -1 3 258.321 1.220 20 30 CDEDHM C=C(C)CCN1CC(N(C)C(=O)c2c(C)nc[n-]c2=O)C1 ZINC001043592620 935841150 /nfs/dbraw/zinc/84/11/50/935841150.db2.gz DSZSWFOXDIRNOY-UHFFFAOYSA-N -1 3 290.367 1.213 20 30 CDEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cccnc1Cl ZINC000384198852 935856274 /nfs/dbraw/zinc/85/62/74/935856274.db2.gz KQSPLJWIBQGLAI-LLVKDONJSA-N -1 3 272.757 1.815 20 30 CDEDHM C[C@@H]1C[C@H](NCC#N)CCN1C(=O)c1ccccc1[O-] ZINC001044477775 935863001 /nfs/dbraw/zinc/86/30/01/935863001.db2.gz HGRLOYUGCUSCNX-VXGBXAGGSA-N -1 3 273.336 1.498 20 30 CDEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)C1CCC1 ZINC001121546303 937875965 /nfs/dbraw/zinc/87/59/65/937875965.db2.gz QSMKHBBGODFCRK-UHFFFAOYSA-N -1 3 275.312 1.813 20 30 CDEDHM N#Cc1c(NCCCc2c[n-][nH]c2=O)ncc2c1CCCC2 ZINC001156285013 938347964 /nfs/dbraw/zinc/34/79/64/938347964.db2.gz BUSNYCUYIJRPPY-LBPRGKRZSA-N -1 3 297.362 1.756 20 30 CDEDHM Cc1cc(Cl)nc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1C#N ZINC001160173280 938772868 /nfs/dbraw/zinc/77/28/68/938772868.db2.gz CYSKPYMHIRSNAK-XVKPBYJWSA-N -1 3 280.715 1.563 20 30 CDEDHM Cc1nc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)ccc1Cl ZINC001160174773 938772884 /nfs/dbraw/zinc/77/28/84/938772884.db2.gz OCTDEKRCPANRHU-WKEGUHRASA-N -1 3 255.705 1.691 20 30 CDEDHM COc1cccc2c1ccnc2N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001160176138 938773401 /nfs/dbraw/zinc/77/34/01/938773401.db2.gz HISOCEMCVFFZGR-ZANVPECISA-N -1 3 287.319 1.891 20 30 CDEDHM Cc1ncc(Nc2nccc3[nH]cc(C#N)c32)c(=O)[n-]1 ZINC001162302770 938975982 /nfs/dbraw/zinc/97/59/82/938975982.db2.gz KOFNMJNQENSAJO-SNVBAGLBSA-N -1 3 266.264 1.244 20 30 CDEDHM Cc1ncc(Nc2[nH]ccc3ncc(C#N)c2-3)c(=O)[n-]1 ZINC001162302770 938975983 /nfs/dbraw/zinc/97/59/83/938975983.db2.gz KOFNMJNQENSAJO-SNVBAGLBSA-N -1 3 266.264 1.244 20 30 CDEDHM N#Cc1c[nH]c2ncc(NCCCc3c[n-][nH]c3=O)cc12 ZINC001164381689 939468798 /nfs/dbraw/zinc/46/87/98/939468798.db2.gz BAQQGHBHCYQHOP-VIFPVBQESA-N -1 3 282.307 1.358 20 30 CDEDHM Cn1c(=O)[nH]c(=O)c(N=O)c1Nc1cccc(C=N[O-])c1 ZINC001165699142 939575367 /nfs/dbraw/zinc/57/53/67/939575367.db2.gz HAHWBPRSXKZJMT-AWNIVKPZSA-N -1 3 289.251 1.436 20 30 CDEDHM C=C(C)COCCNC(=O)c1c([O-])cccc1OC ZINC000405341363 940984501 /nfs/dbraw/zinc/98/45/01/940984501.db2.gz IJAOBFPFBJGUBL-UHFFFAOYSA-N -1 3 265.309 1.723 20 30 CDEDHM C#CC(C#C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226537933 942022625 /nfs/dbraw/zinc/02/26/25/942022625.db2.gz OAUQTZOUZKHQHM-UHFFFAOYSA-N -1 3 254.241 1.821 20 30 CDEDHM C=CCOCC(COCC=C)Oc1ccc(=O)[n-]n1 ZINC001227095237 942131875 /nfs/dbraw/zinc/13/18/75/942131875.db2.gz PBZRZMZLRLUPJF-UHFFFAOYSA-N -1 3 266.297 1.335 20 30 CDEDHM C=C[C@@H](CCC)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1 ZINC001227430091 942174784 /nfs/dbraw/zinc/17/47/84/942174784.db2.gz HXROJQZLOUGTTF-LURJTMIESA-N -1 3 250.258 1.498 20 30 CDEDHM C=C[C@@H](CCC)Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1 ZINC001227430091 942174787 /nfs/dbraw/zinc/17/47/87/942174787.db2.gz HXROJQZLOUGTTF-LURJTMIESA-N -1 3 250.258 1.498 20 30 CDEDHM CC#CC[C@H](CC)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1 ZINC001227430608 942175665 /nfs/dbraw/zinc/17/56/65/942175665.db2.gz MQGFFCITSYKFOA-ZETCQYMHSA-N -1 3 262.269 1.335 20 30 CDEDHM CC#CC[C@H](CC)Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1 ZINC001227430608 942175667 /nfs/dbraw/zinc/17/56/67/942175667.db2.gz MQGFFCITSYKFOA-ZETCQYMHSA-N -1 3 262.269 1.335 20 30 CDEDHM N#Cc1c([O-])ccc(O[C@H]2CN3CCC2CC3)c1C#N ZINC001227620021 942198632 /nfs/dbraw/zinc/19/86/32/942198632.db2.gz WYMRTIRAMOPYNE-HNNXBMFYSA-N -1 3 269.304 1.609 20 30 CDEDHM C#C[C@H](Oc1nc(C(=O)OC)ccc1[O-])c1ccncc1 ZINC001227826989 942233115 /nfs/dbraw/zinc/23/31/15/942233115.db2.gz XGAPUSYHBPOVPG-ZDUSSCGKSA-N -1 3 284.271 1.722 20 30 CDEDHM N#CCN1CC[C@@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233680796 943639520 /nfs/dbraw/zinc/63/95/20/943639520.db2.gz NWDMCTDDGATZKH-LLVKDONJSA-N -1 3 258.277 1.238 20 30 CDEDHM C=C(C)CCC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001262630858 943651735 /nfs/dbraw/zinc/65/17/35/943651735.db2.gz MQLUWTAPXHSEOM-UHFFFAOYSA-N -1 3 253.327 1.443 20 30 CDEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCS(=O)(=O)C1 ZINC001233804290 943664005 /nfs/dbraw/zinc/66/40/05/943664005.db2.gz WKCYDHJGAPPWQV-JLATVTFTSA-N -1 3 285.321 1.069 20 30 CDEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC#CC(C)(C)C ZINC001258770802 945406209 /nfs/dbraw/zinc/40/62/09/945406209.db2.gz IJKVSNFYYVXMLW-UHFFFAOYSA-N -1 3 270.354 1.619 20 30 CDEDHM COc1cc(C#N)cc([N-]S(=O)(=O)C2CCOCC2)c1 ZINC001259916205 945699974 /nfs/dbraw/zinc/69/99/74/945699974.db2.gz TVUVYCSQJBLKDM-UHFFFAOYSA-N -1 3 296.348 1.488 20 30 CDEDHM N#Cc1sccc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001362355493 971186059 /nfs/dbraw/zinc/18/60/59/971186059.db2.gz QRJLRXDDGYHTOF-UHFFFAOYSA-N -1 3 286.316 1.314 20 30 CDEDHM C#CCn1ccc(CN(CC)[C@@H](CC(C)C)C(=O)[O-])n1 ZINC001602704475 971334101 /nfs/dbraw/zinc/33/41/01/971334101.db2.gz GUTQIBIMMIBKCO-AWEZNQCLSA-N -1 3 277.368 1.838 20 30 CDEDHM Cc1cc(=O)[n-]c(CNC(=O)c2cc(C#N)ccc2F)n1 ZINC001362638150 971482948 /nfs/dbraw/zinc/48/29/48/971482948.db2.gz IJVBCZYKZCTSET-UHFFFAOYSA-N -1 3 286.266 1.431 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccnc3c2CCC3)cc1 ZINC001258039358 948692904 /nfs/dbraw/zinc/69/29/04/948692904.db2.gz QCMWSDBDFQFEKH-UHFFFAOYSA-N -1 3 299.355 1.665 20 30 CDEDHM N#Cc1ccc(C(=O)N2CCC[C@H]2c2nnc[nH]2)cc1[O-] ZINC001362690333 971533481 /nfs/dbraw/zinc/53/34/81/971533481.db2.gz RFGBYPJYGOWJNR-NSHDSACASA-N -1 3 283.291 1.359 20 30 CDEDHM CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC001589646513 949740817 /nfs/dbraw/zinc/74/08/17/949740817.db2.gz IRFLBOSIDWWSKS-VWYCJHECSA-N -1 3 280.324 1.112 20 30 CDEDHM CCc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1CC ZINC001327640699 954973340 /nfs/dbraw/zinc/97/33/40/954973340.db2.gz XUONZGMYFLJHAD-CQSZACIVSA-N -1 3 290.363 1.921 20 30 CDEDHM COC(=O)c1cccc(CNC(C)(C)C(=O)[O-])c1C#N ZINC001593886879 955759188 /nfs/dbraw/zinc/75/91/88/955759188.db2.gz XQUNTXRKTVGWFU-UHFFFAOYSA-N -1 3 276.292 1.298 20 30 CDEDHM Cc1oncc1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC001365741222 956326400 /nfs/dbraw/zinc/32/64/00/956326400.db2.gz ITSFDQCEKGRQKZ-UHFFFAOYSA-N -1 3 283.334 1.395 20 30 CDEDHM CC#CC[C@@H](NCc1c(C)nc2sc(C)nn21)C(=O)[O-] ZINC001339267206 956364324 /nfs/dbraw/zinc/36/43/24/956364324.db2.gz HWLFWOUFBMLZRN-SNVBAGLBSA-N -1 3 292.364 1.364 20 30 CDEDHM C=C[C@@H](COC)[N-]C(=O)C(F)(F)c1nccs1 ZINC001339025134 962119271 /nfs/dbraw/zinc/11/92/71/962119271.db2.gz VBQCKJICZCPUQM-ZETCQYMHSA-N -1 3 262.281 1.552 20 30 CDEDHM CCn1ncc(C([O-])=C(C#N)c2nccn2C)c1C ZINC001343842838 964156408 /nfs/dbraw/zinc/15/64/08/964156408.db2.gz NZDFFWVYPMDOAI-JTQLQIEISA-N -1 3 257.297 1.435 20 30 CDEDHM C=CCC[C@H](NC(=O)[C@H]1CCCN1CC(C)C)C(=O)[O-] ZINC001346313299 965041160 /nfs/dbraw/zinc/04/11/60/965041160.db2.gz VWKBIXQCKZQSHO-QWHCGFSZSA-N -1 3 282.384 1.642 20 30 CDEDHM N#Cc1ccc(N2CCc3c(nc[n-]c3=O)C2)nc1 ZINC001349822880 966488272 /nfs/dbraw/zinc/48/82/72/966488272.db2.gz LIBBDLKVRMOQNL-UHFFFAOYSA-N -1 3 253.265 1.012 20 30 CDEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001351788914 966999273 /nfs/dbraw/zinc/99/92/73/966999273.db2.gz DFBSYFFIMBFGEN-NXEZZACHSA-N -1 3 289.339 1.917 20 30 CDEDHM N#Cc1ccncc1C(=O)[N-]c1nc(C2CC2)no1 ZINC001543949912 967328319 /nfs/dbraw/zinc/32/83/19/967328319.db2.gz YOECRGKOOHFQQZ-UHFFFAOYSA-N -1 3 255.237 1.466 20 30 CDEDHM Cc1ccc(CNC(=S)N[C@@H]2C(=O)N([O-])C[C@@H]2C)cc1 ZINC001200325878 967944167 /nfs/dbraw/zinc/94/41/67/967944167.db2.gz RCLRGMJKILTXJZ-JQWIXIFHSA-N -1 3 293.392 1.195 20 30 CDEDHM COc1ncc(NC(=O)c2cccc3n[n-]nc32)cc1C#N ZINC001455604474 968748545 /nfs/dbraw/zinc/74/85/45/968748545.db2.gz FGWMAQQKOGDYOP-UHFFFAOYSA-N -1 3 294.274 1.485 20 30 CDEDHM CO[C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CCCN([O-])C2=O)C1 ZINC000848134158 968752715 /nfs/dbraw/zinc/75/27/15/968752715.db2.gz ONCRMTSPTZSXSA-IJLUTSLNSA-N -1 3 284.356 1.078 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1c(F)ccc(F)c1F ZINC000848134365 968752748 /nfs/dbraw/zinc/75/27/48/968752748.db2.gz SSCKWFXXXVTNCE-QMMMGPOBSA-N -1 3 288.225 1.214 20 30 CDEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)oc1C ZINC000848136711 968755450 /nfs/dbraw/zinc/75/54/50/968755450.db2.gz QDQONZLFNYKSLE-SECBINFHSA-N -1 3 252.270 1.006 20 30 CDEDHM C[C@@H](C#N)C(=O)N(C)CCN(C)C(=O)c1ccccc1[O-] ZINC001457726877 969212617 /nfs/dbraw/zinc/21/26/17/969212617.db2.gz XTKCUQHZETYTKQ-NSHDSACASA-N -1 3 289.335 1.082 20 30 CDEDHM N#CC(=C([O-])c1cnn2c1CCC2)c1ccccn1 ZINC001356237798 969362389 /nfs/dbraw/zinc/36/23/89/969362389.db2.gz AOUNJWWQMDXITD-SNVBAGLBSA-N -1 3 252.277 1.714 20 30 CDEDHM C=C(CC(C)C)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001519825564 970115031 /nfs/dbraw/zinc/11/50/31/970115031.db2.gz MLQLRRFVESDFFW-UHFFFAOYSA-N -1 3 261.325 1.669 20 30 CDEDHM C[C@H](CN(Cc1cnc2ccc(C#N)cn12)C1CC1)C(=O)[O-] ZINC001592610253 978561358 /nfs/dbraw/zinc/56/13/58/978561358.db2.gz VJKSBYRATDECNH-LLVKDONJSA-N -1 3 298.346 1.891 20 30 CDEDHM C#CC[C@H](NCc1ccnc(Cl)c1Cl)C(=O)[O-] ZINC001588422375 983446029 /nfs/dbraw/zinc/44/60/29/983446029.db2.gz JWVGFGXSAUMTLU-QMMMGPOBSA-N -1 3 273.119 1.955 20 30 CDEDHM C#CC[C@@H](NCc1nn(C)c2ccccc12)C(=O)[O-] ZINC001588423877 983454120 /nfs/dbraw/zinc/45/41/20/983454120.db2.gz QFUUAZYDKYMZNW-LLVKDONJSA-N -1 3 257.293 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ZINC001602690294 1175354753 /nfs/dbraw/zinc/35/47/53/1175354753.db2.gz APIPZSQBENZJIH-UHFFFAOYSA-N -1 3 295.346 1.471 20 30 CDEDHM C#CC1(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001602690294 1175354762 /nfs/dbraw/zinc/35/47/62/1175354762.db2.gz APIPZSQBENZJIH-UHFFFAOYSA-N -1 3 295.346 1.471 20 30 CDEDHM C#C[C@@H](CC)OC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602689947 1175356371 /nfs/dbraw/zinc/35/63/71/1175356371.db2.gz XESNGIUXKXMXKI-ZDUSSCGKSA-N -1 3 296.330 1.853 20 30 CDEDHM C#C[C@@H](CC)OC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602689947 1175356378 /nfs/dbraw/zinc/35/63/78/1175356378.db2.gz XESNGIUXKXMXKI-ZDUSSCGKSA-N -1 3 296.330 1.853 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602690971 1175356796 /nfs/dbraw/zinc/35/67/96/1175356796.db2.gz NVSNBJNYCRHTIG-NSHDSACASA-N -1 3 296.334 1.198 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602690971 1175356804 /nfs/dbraw/zinc/35/68/04/1175356804.db2.gz NVSNBJNYCRHTIG-NSHDSACASA-N -1 3 296.334 1.198 20 30 CDEDHM C#CC[C@@H](COC)Nc1cc(-c2nnn[n-]2)ccc1C(C)=O ZINC001602697808 1175362926 /nfs/dbraw/zinc/36/29/26/1175362926.db2.gz SSAJGCPJCJTKLT-LBPRGKRZSA-N -1 3 299.334 1.520 20 30 CDEDHM C#CC[C@@H](COC)Nc1cc(-c2nn[n-]n2)ccc1C(C)=O ZINC001602697808 1175362928 /nfs/dbraw/zinc/36/29/28/1175362928.db2.gz SSAJGCPJCJTKLT-LBPRGKRZSA-N -1 3 299.334 1.520 20 30 CDEDHM C=C(Cl)COC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001602770783 1175394878 /nfs/dbraw/zinc/39/48/78/1175394878.db2.gz VQGABOUXVOFXGE-UHFFFAOYSA-N -1 3 253.649 1.104 20 30 CDEDHM C=C(Cl)COC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001602770783 1175394884 /nfs/dbraw/zinc/39/48/84/1175394884.db2.gz VQGABOUXVOFXGE-UHFFFAOYSA-N -1 3 253.649 1.104 20 30 CDEDHM C=CCCC[C@H](N)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC001602863687 1175438092 /nfs/dbraw/zinc/43/80/92/1175438092.db2.gz RJQVAEWVLMPPMP-GXFFZTMASA-N -1 3 256.346 1.430 20 30 CDEDHM C[C@H](C(=O)C(C)(C)C)n1cnc(C#N)c1-c1nnn[n-]1 ZINC001602989839 1175472712 /nfs/dbraw/zinc/47/27/12/1175472712.db2.gz 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C=C[C@H](CC)OC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001609052981 1164748078 /nfs/dbraw/zinc/74/80/78/1164748078.db2.gz XOXZCHHYUMDSIT-SNVBAGLBSA-N -1 3 273.296 1.692 20 30 CDEDHM C=CCN(C(=O)c1cc(-c2nnn[n-]2)[nH]c1C)C(C)C ZINC001609056082 1164749201 /nfs/dbraw/zinc/74/92/01/1164749201.db2.gz OOBUCUWJBXXZBG-UHFFFAOYSA-N -1 3 274.328 1.540 20 30 CDEDHM C=CCN(C(=O)c1cc(-c2nn[n-]n2)[nH]c1C)C(C)C ZINC001609056082 1164749207 /nfs/dbraw/zinc/74/92/07/1164749207.db2.gz OOBUCUWJBXXZBG-UHFFFAOYSA-N -1 3 274.328 1.540 20 30 CDEDHM CC[C@H](CC#N)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001609188092 1164821027 /nfs/dbraw/zinc/82/10/27/1164821027.db2.gz ZRAFIGCMLDIJED-MRVPVSSYSA-N -1 3 276.325 1.350 20 30 CDEDHM CC[C@H](CC#N)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001609188092 1164821033 /nfs/dbraw/zinc/82/10/33/1164821033.db2.gz ZRAFIGCMLDIJED-MRVPVSSYSA-N -1 3 276.325 1.350 20 30 CDEDHM CN(CC(C)(C)C#N)c1cc(-c2nnn[n-]2)ccn1 ZINC001609271658 1164875172 /nfs/dbraw/zinc/87/51/72/1164875172.db2.gz LOEJKGIRXJHPEF-UHFFFAOYSA-N -1 3 257.301 1.248 20 30 CDEDHM CN(CC(C)(C)C#N)c1cc(-c2nn[n-]n2)ccn1 ZINC001609271658 1164875180 /nfs/dbraw/zinc/87/51/80/1164875180.db2.gz LOEJKGIRXJHPEF-UHFFFAOYSA-N -1 3 257.301 1.248 20 30 CDEDHM CN(Cc1cccc(-c2nnn[n-]2)c1F)CC(C)(C)C#N ZINC001609280265 1164878950 /nfs/dbraw/zinc/87/89/50/1164878950.db2.gz MJIUSEOSMCBNIB-UHFFFAOYSA-N -1 3 288.330 1.987 20 30 CDEDHM CN(Cc1cccc(-c2nn[n-]n2)c1F)CC(C)(C)C#N ZINC001609280265 1164878955 /nfs/dbraw/zinc/87/89/55/1164878955.db2.gz MJIUSEOSMCBNIB-UHFFFAOYSA-N -1 3 288.330 1.987 20 30 CDEDHM C=CCC[C@@H](O)CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001609324567 1164900121 /nfs/dbraw/zinc/90/01/21/1164900121.db2.gz DGCYMUQWPWXFQV-DOMZBBRYSA-N -1 3 278.352 1.688 20 30 CDEDHM Cc1nc(NCC(C)(C)C#N)ccc1-c1nnn[n-]1 ZINC001609453198 1164956463 /nfs/dbraw/zinc/95/64/63/1164956463.db2.gz UDBSEXJDBMKGFG-UHFFFAOYSA-N -1 3 257.301 1.532 20 30 CDEDHM Cc1nc(NCC(C)(C)C#N)ccc1-c1nn[n-]n1 ZINC001609453198 1164956469 /nfs/dbraw/zinc/95/64/69/1164956469.db2.gz UDBSEXJDBMKGFG-UHFFFAOYSA-N -1 3 257.301 1.532 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)c1c(C)[nH]c(=O)[nH]c1=S ZINC001528518704 968866556 /nfs/dbraw/zinc/86/65/56/968866556.db2.gz ZMBCXAKFLQGQJF-RXMQYKEDSA-N -1 3 255.299 1.015 20 30 CDEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCCN1CC#N ZINC000993064378 913699475 /nfs/dbraw/zinc/69/94/75/913699475.db2.gz GOJMFXDKWNAYTO-YPMHNXCESA-N -1 3 273.336 1.498 20 30 CDEDHM N#CCN1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001027761490 900796818 /nfs/dbraw/zinc/79/68/18/900796818.db2.gz PJVLBILDQOJMFM-NSHDSACASA-N -1 3 259.309 1.110 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCC#N ZINC000053920818 900920358 /nfs/dbraw/zinc/92/03/58/900920358.db2.gz JMOKGSLEDFANPI-UHFFFAOYSA-N -1 3 287.319 1.643 20 30 CDEDHM C=C[C@@H]1C[C@@]1(NC(=O)c1c(C)cccc1[O-])C(=O)OCC ZINC001188660344 921122351 /nfs/dbraw/zinc/12/23/51/921122351.db2.gz ZXPFXRZYRGLACO-BZNIZROVSA-N -1 3 289.331 1.938 20 30 CDEDHM C=C(Br)CN1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000715851926 910073613 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COC(=O)c1ccc(C)c([N-]S(=O)(=O)[C@H](C)C#N)c1C ZINC001193149387 923495111 /nfs/dbraw/zinc/49/51/11/923495111.db2.gz NSHLNQCZWNOTEB-SECBINFHSA-N -1 3 296.348 1.744 20 30 CDEDHM COC(=O)c1cc([N-]S(=O)(=O)[C@H](C)C#N)ccc1OC ZINC001193151562 923498433 /nfs/dbraw/zinc/49/84/33/923498433.db2.gz SAYOEWJQLZXPRM-MRVPVSSYSA-N -1 3 298.320 1.136 20 30 CDEDHM C=CCCn1cc(CN[C@@H](CCCC)C(=O)[O-])nn1 ZINC001118437857 924464969 /nfs/dbraw/zinc/46/49/69/924464969.db2.gz XSPWJJXONGIMAE-LBPRGKRZSA-N -1 3 266.345 1.587 20 30 CDEDHM N#Cc1cc(NC(=O)Cn2ccccc2=O)ccc1[O-] ZINC001141919506 936954340 /nfs/dbraw/zinc/95/43/40/936954340.db2.gz RSUOZBFXYNUVKB-UHFFFAOYSA-N -1 3 269.260 1.064 20 30 CDEDHM N#Cc1cccc(NC(=S)Nc2c[nH]c(=O)[n-]c2=O)c1 ZINC001197678504 925195895 /nfs/dbraw/zinc/19/58/95/925195895.db2.gz PSGJSRIOLPQKJJ-UHFFFAOYSA-N -1 3 287.304 1.568 20 30 CDEDHM N#Cc1cccc(NC(=S)Nc2cnc[n-]c2=O)c1 ZINC001197682548 925197202 /nfs/dbraw/zinc/19/72/02/925197202.db2.gz BQYAQOHAPCJSHH-UHFFFAOYSA-N -1 3 271.305 1.863 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Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)no1 ZINC000737236102 575903684 /nfs/dbraw/zinc/90/36/84/575903684.db2.gz ACWYPPGEMKXIDU-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)no1 ZINC000737236102 575903685 /nfs/dbraw/zinc/90/36/85/575903685.db2.gz ACWYPPGEMKXIDU-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM CC(C)c1ccc2c(c1)C(=N[N-]S(C)(=O)=O)CCO2 ZINC000764700412 575935592 /nfs/dbraw/zinc/93/55/92/575935592.db2.gz KTHRKJGLCYRROL-UHFFFAOYSA-N -1 3 282.365 1.846 20 30 CDEDHM COc1ccc2c(c1)C(=N[N-]S(C)(=O)=O)CCCO2 ZINC000764703047 575936121 /nfs/dbraw/zinc/93/61/21/575936121.db2.gz BNFRXJPIIVTCLM-UHFFFAOYSA-N -1 3 284.337 1.121 20 30 CDEDHM N#Cc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737728075 576008584 /nfs/dbraw/zinc/00/85/84/576008584.db2.gz XOVMJUNYPVFHHL-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737728075 576008588 /nfs/dbraw/zinc/00/85/88/576008588.db2.gz XOVMJUNYPVFHHL-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000766506976 576108977 /nfs/dbraw/zinc/10/89/77/576108977.db2.gz SRUUGTQXSIZUKL-UHFFFAOYSA-N -1 3 286.740 1.598 20 30 CDEDHM CCON=C([O-])Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000760032258 576454189 /nfs/dbraw/zinc/45/41/89/576454189.db2.gz ZYFOVOADAKKGMP-UHFFFAOYSA-N -1 3 289.270 1.956 20 30 CDEDHM CCO[N-]C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000760032258 576454190 /nfs/dbraw/zinc/45/41/90/576454190.db2.gz ZYFOVOADAKKGMP-UHFFFAOYSA-N -1 3 289.270 1.956 20 30 CDEDHM O=C1CN(N=Cc2ccc(OCC(F)F)cc2)C(=O)[N-]1 ZINC000741812570 576575393 /nfs/dbraw/zinc/57/53/93/576575393.db2.gz YUBZRAKDVLOKMN-UHFFFAOYSA-N -1 3 283.234 1.216 20 30 CDEDHM C#Cc1cccc(N(CC)C(=O)c2[nH]c(=O)[n-]c(=O)c2N)c1 ZINC000742251457 576593142 /nfs/dbraw/zinc/59/31/42/576593142.db2.gz BHUNBRZQQRPTRP-UHFFFAOYSA-N -1 3 298.302 1.118 20 30 CDEDHM C[C@H]1CC(=NC(=O)c2cc(-c3ccccc3)n[n-]2)NO1 ZINC000763261731 576727593 /nfs/dbraw/zinc/72/75/93/576727593.db2.gz SYIDKFKDZRRCRD-VIFPVBQESA-N -1 3 270.292 1.929 20 30 CDEDHM C[C@H](C=NN1CC(=O)[N-]C1=O)CCc1ccccc1 ZINC000749157727 576937409 /nfs/dbraw/zinc/93/74/09/576937409.db2.gz CLFGOICFULTCGV-NSHDSACASA-N -1 3 259.309 1.793 20 30 CDEDHM [O-]c1c(F)cccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000755813274 576962636 /nfs/dbraw/zinc/96/26/36/576962636.db2.gz CJOCCBPSRVDCKL-VXGBXAGGSA-N -1 3 276.315 1.725 20 30 CDEDHM CC(=NO[C@H]1CCCCO1)c1c(C)[nH]c(=O)[n-]c1=O ZINC000755816377 576962894 /nfs/dbraw/zinc/96/28/94/576962894.db2.gz FKCUACVJOBKXKH-VIFPVBQESA-N -1 3 267.285 1.463 20 30 CDEDHM C=C[C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@H](C)C=C ZINC000757008783 577020228 /nfs/dbraw/zinc/02/02/28/577020228.db2.gz FRQHINHDVLEKKF-HTQZYQBOSA-N -1 3 296.264 1.638 20 30 CDEDHM N#Cc1ccc(C(=O)OCc2cccc3nccn32)[n-]1 ZINC000752522318 577111794 /nfs/dbraw/zinc/11/17/94/577111794.db2.gz IZAKJNKNGCUIBJ-UHFFFAOYSA-N -1 3 266.260 1.891 20 30 CDEDHM Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)CCC(C)(C)C#N)n1 ZINC000753017502 577140139 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ZINC000819751370 599299190 /nfs/dbraw/zinc/29/91/90/599299190.db2.gz UDKIDIIAULBHML-VIFPVBQESA-N -1 3 272.312 1.413 20 30 CDEDHM C=CCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819751368 599298921 /nfs/dbraw/zinc/29/89/21/599298921.db2.gz UDKIDIIAULBHML-SECBINFHSA-N -1 3 272.312 1.413 20 30 CDEDHM C=CCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819751368 599298924 /nfs/dbraw/zinc/29/89/24/599298924.db2.gz UDKIDIIAULBHML-SECBINFHSA-N -1 3 272.312 1.413 20 30 CDEDHM O=[N+]([O-])c1ccccc1N=NCc1ccc(-c2nnn[n-]2)o1 ZINC000823647100 599330675 /nfs/dbraw/zinc/33/06/75/599330675.db2.gz FPOIENZGRFIACU-UHFFFAOYSA-N -1 3 299.250 1.814 20 30 CDEDHM C#CCCCN[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000819693362 599383736 /nfs/dbraw/zinc/38/37/36/599383736.db2.gz RAGDQPAIGOOGNR-CYBMUJFWSA-N -1 3 299.334 1.084 20 30 CDEDHM C#CCCCN[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000819693362 599383738 /nfs/dbraw/zinc/38/37/38/599383738.db2.gz RAGDQPAIGOOGNR-CYBMUJFWSA-N -1 3 299.334 1.084 20 30 CDEDHM C[C@@H](CC#N)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820220365 607374582 /nfs/dbraw/zinc/37/45/82/607374582.db2.gz SATIWIYLQZGAHY-VIFPVBQESA-N -1 3 255.285 1.092 20 30 CDEDHM C[C@@H](CC#N)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820220365 607374584 /nfs/dbraw/zinc/37/45/84/607374584.db2.gz SATIWIYLQZGAHY-VIFPVBQESA-N -1 3 255.285 1.092 20 30 CDEDHM C[C@@H](NC(=O)C(C)(C)C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820315258 599518354 /nfs/dbraw/zinc/51/83/54/599518354.db2.gz MTJHZYJJTFJBGA-SECBINFHSA-N -1 3 284.323 1.594 20 30 CDEDHM C[C@@H](NC(=O)C(C)(C)C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820315258 599518357 /nfs/dbraw/zinc/51/83/57/599518357.db2.gz MTJHZYJJTFJBGA-SECBINFHSA-N -1 3 284.323 1.594 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001602689441 1175355323 /nfs/dbraw/zinc/35/53/23/1175355323.db2.gz GMSGCGBKWQNNJD-QMMMGPOBSA-N -1 3 288.286 1.491 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001602689441 1175355329 /nfs/dbraw/zinc/35/53/29/1175355329.db2.gz GMSGCGBKWQNNJD-QMMMGPOBSA-N -1 3 288.286 1.491 20 30 CDEDHM C#CCC[C@H](C)OC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001602703445 1175366890 /nfs/dbraw/zinc/36/68/90/1175366890.db2.gz QRQNTUHDWVTTMY-JTQLQIEISA-N -1 3 285.307 1.529 20 30 CDEDHM C#CCC[C@H](C)OC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001602703445 1175366886 /nfs/dbraw/zinc/36/68/86/1175366886.db2.gz QRQNTUHDWVTTMY-JTQLQIEISA-N -1 3 285.307 1.529 20 30 CDEDHM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)[C@@H](C)CN1C ZINC000833628830 604574080 /nfs/dbraw/zinc/57/40/80/604574080.db2.gz BPQYZHKDIQZOPC-RYUDHWBXSA-N -1 3 287.363 1.781 20 30 CDEDHM C[C@H]1CN(Cc2cccc(C#N)c2F)C[C@H]1C(=O)[O-] ZINC000300264637 605042458 /nfs/dbraw/zinc/04/24/58/605042458.db2.gz MUJNGWZZVJKAGX-JOYOIKCWSA-N -1 3 262.284 1.850 20 30 CDEDHM C[C@@H](C#N)CN(Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000824035176 607831190 /nfs/dbraw/zinc/83/11/90/607831190.db2.gz SWTDATFHPCSQNN-NSHDSACASA-N -1 3 282.351 1.991 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602758500 1175390798 /nfs/dbraw/zinc/39/07/98/1175390798.db2.gz JXEUVLGKJIKFEI-UHFFFAOYSA-N -1 3 286.339 1.608 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602758500 1175390802 /nfs/dbraw/zinc/39/08/02/1175390802.db2.gz JXEUVLGKJIKFEI-UHFFFAOYSA-N -1 3 286.339 1.608 20 30 CDEDHM N#C[C@@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822802099 606206014 /nfs/dbraw/zinc/20/60/14/606206014.db2.gz VIWBKEWOQXJWIE-GFCCVEGCSA-N -1 3 299.290 1.091 20 30 CDEDHM C=C1CN(C(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001602777054 1175398117 /nfs/dbraw/zinc/39/81/17/1175398117.db2.gz OQZGSIOOLQHQJR-UHFFFAOYSA-N -1 3 259.244 1.018 20 30 CDEDHM C=C1CN(C(=O)c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001602777054 1175398120 /nfs/dbraw/zinc/39/81/20/1175398120.db2.gz OQZGSIOOLQHQJR-UHFFFAOYSA-N -1 3 259.244 1.018 20 30 CDEDHM CCC[C@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000821016604 606327942 /nfs/dbraw/zinc/32/79/42/606327942.db2.gz XVSCGESMYMCWDT-ZETCQYMHSA-N -1 3 289.368 1.996 20 30 CDEDHM CCC[C@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000821016604 606327945 /nfs/dbraw/zinc/32/79/45/606327945.db2.gz XVSCGESMYMCWDT-ZETCQYMHSA-N -1 3 289.368 1.996 20 30 CDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC1(CC#N)CC1 ZINC000822659309 606411375 /nfs/dbraw/zinc/41/13/75/606411375.db2.gz JMZTXPFDZCTKPI-UHFFFAOYSA-N -1 3 286.295 1.056 20 30 CDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC1(CC#N)CC1 ZINC000822659309 606411377 /nfs/dbraw/zinc/41/13/77/606411377.db2.gz JMZTXPFDZCTKPI-UHFFFAOYSA-N -1 3 286.295 1.056 20 30 CDEDHM C=CC(C)(C)COC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001602787069 1175401677 /nfs/dbraw/zinc/40/16/77/1175401677.db2.gz XXSWDADWYMLXLM-UHFFFAOYSA-N -1 3 275.312 1.574 20 30 CDEDHM C=CC(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001602787069 1175401687 /nfs/dbraw/zinc/40/16/87/1175401687.db2.gz XXSWDADWYMLXLM-UHFFFAOYSA-N -1 3 275.312 1.574 20 30 CDEDHM CC[C@H](C#N)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820841862 606613692 /nfs/dbraw/zinc/61/36/92/606613692.db2.gz GSVGHBBPRFYMEQ-WSKFYRRCSA-N -1 3 283.291 1.725 20 30 CDEDHM CC[C@H](C#N)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820841862 606613693 /nfs/dbraw/zinc/61/36/93/606613693.db2.gz GSVGHBBPRFYMEQ-WSKFYRRCSA-N -1 3 283.291 1.725 20 30 CDEDHM C=C[C@H](C)ONC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001602799874 1175405198 /nfs/dbraw/zinc/40/51/98/1175405198.db2.gz HIHLOPVVNMYYEF-VIFPVBQESA-N -1 3 288.311 1.172 20 30 CDEDHM C=C[C@H](C)ONC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001602799874 1175405204 /nfs/dbraw/zinc/40/52/04/1175405204.db2.gz HIHLOPVVNMYYEF-VIFPVBQESA-N -1 3 288.311 1.172 20 30 CDEDHM C#CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823838971 607816618 /nfs/dbraw/zinc/81/66/18/607816618.db2.gz XJOXFCLJLQBKIL-JTQLQIEISA-N -1 3 269.308 1.409 20 30 CDEDHM C#CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823838971 607816619 /nfs/dbraw/zinc/81/66/19/607816619.db2.gz XJOXFCLJLQBKIL-JTQLQIEISA-N -1 3 269.308 1.409 20 30 CDEDHM C=CCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823899135 608249634 /nfs/dbraw/zinc/24/96/34/608249634.db2.gz NBMLSWHBNRAJSH-UHFFFAOYSA-N -1 3 297.362 1.976 20 30 CDEDHM C=CCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823899135 608249635 /nfs/dbraw/zinc/24/96/35/608249635.db2.gz NBMLSWHBNRAJSH-UHFFFAOYSA-N -1 3 297.362 1.976 20 30 CDEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N(C)C[C@@H](C)C#N)n1 ZINC000826262337 608368074 /nfs/dbraw/zinc/36/80/74/608368074.db2.gz MAXMPKDTEOYOMY-QMMMGPOBSA-N -1 3 271.328 1.474 20 30 CDEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N(C)C[C@@H](C)C#N)n1 ZINC000826262337 608368076 /nfs/dbraw/zinc/36/80/76/608368076.db2.gz MAXMPKDTEOYOMY-QMMMGPOBSA-N -1 3 271.328 1.474 20 30 CDEDHM Cn1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826362983 609270794 /nfs/dbraw/zinc/27/07/94/609270794.db2.gz QUSLMCNKEHFOEK-HYXAFXHYSA-N -1 3 298.281 1.635 20 30 CDEDHM Cn1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826362983 609270796 /nfs/dbraw/zinc/27/07/96/609270796.db2.gz QUSLMCNKEHFOEK-HYXAFXHYSA-N -1 3 298.281 1.635 20 30 CDEDHM COCCON=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826161222 609277874 /nfs/dbraw/zinc/27/78/74/609277874.db2.gz YAMNBWJYUPBGCI-UHFFFAOYSA-N -1 3 279.275 1.393 20 30 CDEDHM COCCON=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826161222 609277875 /nfs/dbraw/zinc/27/78/75/609277875.db2.gz YAMNBWJYUPBGCI-UHFFFAOYSA-N -1 3 279.275 1.393 20 30 CDEDHM C=C[C@H](CC)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000776105159 617597677 /nfs/dbraw/zinc/59/76/77/617597677.db2.gz UAILYSYWPCRZKS-SNVBAGLBSA-N -1 3 250.298 1.849 20 30 CDEDHM C=C[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000155230700 617862396 /nfs/dbraw/zinc/86/23/96/617862396.db2.gz PACZPFAQNYJHLX-MRVPVSSYSA-N -1 3 284.337 1.068 20 30 CDEDHM C=C[C@H](CC)CC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000934937445 617915985 /nfs/dbraw/zinc/91/59/85/617915985.db2.gz QITDXAYCJQAPTB-GFCCVEGCSA-N -1 3 290.363 1.841 20 30 CDEDHM NC(=O)CCC/N=C/c1cc(Br)ccc1[O-] ZINC000044009589 618281190 /nfs/dbraw/zinc/28/11/90/618281190.db2.gz DLTMRJOYBFJQDF-VGOFMYFVSA-N -1 3 285.141 1.839 20 30 CDEDHM N#CCCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000826381433 618591754 /nfs/dbraw/zinc/59/17/54/618591754.db2.gz LVVHPEZEYCACTC-UHFFFAOYSA-N -1 3 263.692 1.631 20 30 CDEDHM N#CCCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000826381433 618591761 /nfs/dbraw/zinc/59/17/61/618591761.db2.gz LVVHPEZEYCACTC-UHFFFAOYSA-N -1 3 263.692 1.631 20 30 CDEDHM N#CCCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826382318 618592704 /nfs/dbraw/zinc/59/27/04/618592704.db2.gz YKRJLIZLQUNBIR-ZDUSSCGKSA-N -1 3 284.323 1.154 20 30 CDEDHM N#CCCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826382318 618592709 /nfs/dbraw/zinc/59/27/09/618592709.db2.gz YKRJLIZLQUNBIR-ZDUSSCGKSA-N -1 3 284.323 1.154 20 30 CDEDHM O=c1[nH]c2ccccc2cc1CN[C@H]1CCCN([O-])C1=O ZINC000895167108 619396559 /nfs/dbraw/zinc/39/65/59/619396559.db2.gz UEFORFGWAFAHKS-ZDUSSCGKSA-N -1 3 287.319 1.410 20 30 CDEDHM N#Cc1cc(NC(=O)c2cncs2)ccc1-c1nnn[n-]1 ZINC000737709946 620472013 /nfs/dbraw/zinc/47/20/13/620472013.db2.gz OQTCOXVVCIZUMF-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM N#Cc1cc(NC(=O)c2cncs2)ccc1-c1nn[n-]n1 ZINC000737709946 620472019 /nfs/dbraw/zinc/47/20/19/620472019.db2.gz OQTCOXVVCIZUMF-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM C=CCC[C@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)C(=O)[O-] ZINC000929051615 620896092 /nfs/dbraw/zinc/89/60/92/620896092.db2.gz IWTLHMIOKFVLTR-YPMHNXCESA-N -1 3 295.383 1.355 20 30 CDEDHM C=CCC(CC=C)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898261436 621428241 /nfs/dbraw/zinc/42/82/41/621428241.db2.gz ASAZBKULZSBUBE-UHFFFAOYSA-N -1 3 261.325 1.875 20 30 CDEDHM COC(=O)C12CC(C(=O)N([O-])Cc3ccc(F)cc3)(C1)C2 ZINC000904177752 626211372 /nfs/dbraw/zinc/21/13/72/626211372.db2.gz NFJDXKWENMVUQK-UHFFFAOYSA-N -1 3 293.294 1.887 20 30 CDEDHM CCCN1C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CC1=O ZINC000904177560 626211436 /nfs/dbraw/zinc/21/14/36/626211436.db2.gz HJUXIKMPKHOTRH-LBPRGKRZSA-N -1 3 294.326 1.802 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000904207844 626212937 /nfs/dbraw/zinc/21/29/37/626212937.db2.gz FAWPYXJHZYQLCV-LLVKDONJSA-N -1 3 268.357 1.795 20 30 CDEDHM CN(C(=O)COC(=O)c1ccc([O-])cc1)C(C)(C)C#N ZINC000026809708 626930754 /nfs/dbraw/zinc/93/07/54/626930754.db2.gz KWOZFMJNCKTPIN-UHFFFAOYSA-N -1 3 276.292 1.310 20 30 CDEDHM C[C@]1([N-]C(=O)C(F)(F)c2ccccc2C#N)CCNC1=O ZINC000889026750 626938854 /nfs/dbraw/zinc/93/88/54/626938854.db2.gz HHOPVNZUNZJQRM-ZDUSSCGKSA-N -1 3 293.273 1.045 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(C2CCCCC2)CC1 ZINC000908405434 628184460 /nfs/dbraw/zinc/18/44/60/628184460.db2.gz GQQFXJYQDVVPIR-LBPRGKRZSA-N -1 3 280.368 1.843 20 30 CDEDHM C#CC[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(=O)[O-] ZINC000910051763 628828643 /nfs/dbraw/zinc/82/86/43/628828643.db2.gz GRKULVNTMHEQCS-CHWSQXEVSA-N -1 3 280.368 1.090 20 30 CDEDHM C=C(C)CN1CCC(NC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000911351390 629242184 /nfs/dbraw/zinc/24/21/84/629242184.db2.gz CFBYDKZLIMVYAQ-UHFFFAOYSA-N -1 3 292.335 1.748 20 30 CDEDHM C#CCN(C)CCCNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000911404595 629270921 /nfs/dbraw/zinc/27/09/21/629270921.db2.gz BMIRFIIBRNKQKJ-UHFFFAOYSA-N -1 3 292.379 1.093 20 30 CDEDHM N#CC1(C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)CCCC1 ZINC000911853514 629592323 /nfs/dbraw/zinc/59/23/23/629592323.db2.gz AAZCEBVSXSXVFZ-UHFFFAOYSA-N -1 3 278.337 1.171 20 30 CDEDHM CC[C@H](NN=Cc1ccc2c(c1)CCN2C)C(=O)[O-] ZINC000793072149 1162389578 /nfs/dbraw/zinc/38/95/78/1162389578.db2.gz QUTXHYMJHGUDOD-LBPRGKRZSA-N -1 3 261.325 1.466 20 30 CDEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1nnc2ccccc2c1[O-] ZINC000794161707 1162461790 /nfs/dbraw/zinc/46/17/90/1162461790.db2.gz OKKOEGRXZJXYKL-HNNXBMFYSA-N -1 3 282.303 1.757 20 30 CDEDHM CCN(CCC#N)C(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001604288953 1163142997 /nfs/dbraw/zinc/14/29/97/1163142997.db2.gz FICAUJHSRLNVNY-UHFFFAOYSA-N -1 3 284.323 1.551 20 30 CDEDHM CCN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001604288953 1163143004 /nfs/dbraw/zinc/14/30/04/1163143004.db2.gz FICAUJHSRLNVNY-UHFFFAOYSA-N -1 3 284.323 1.551 20 30 CDEDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(CC#N)cc1 ZINC000790415892 1162149049 /nfs/dbraw/zinc/14/90/49/1162149049.db2.gz YYLCWSZKBZYULH-UHFFFAOYSA-N -1 3 291.332 1.860 20 30 CDEDHM N#CC1(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001606340264 1163866982 /nfs/dbraw/zinc/86/69/82/1163866982.db2.gz IDWNTNQORDXXOI-UHFFFAOYSA-N -1 3 283.291 1.604 20 30 CDEDHM N#CC1(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001606340264 1163866985 /nfs/dbraw/zinc/86/69/85/1163866985.db2.gz IDWNTNQORDXXOI-UHFFFAOYSA-N -1 3 283.291 1.604 20 30 CDEDHM N#CCOC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001606350103 1163873825 /nfs/dbraw/zinc/87/38/25/1163873825.db2.gz PVSUKGZUODDJMJ-UHFFFAOYSA-N -1 3 296.246 1.202 20 30 CDEDHM N#CCOC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001606350103 1163873828 /nfs/dbraw/zinc/87/38/28/1163873828.db2.gz PVSUKGZUODDJMJ-UHFFFAOYSA-N -1 3 296.246 1.202 20 30 CDEDHM N#CCCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001606348015 1163874929 /nfs/dbraw/zinc/87/49/29/1163874929.db2.gz IVRATJXMSKPALY-UHFFFAOYSA-N -1 3 295.299 1.083 20 30 CDEDHM N#CCCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001606348015 1163874933 /nfs/dbraw/zinc/87/49/33/1163874933.db2.gz IVRATJXMSKPALY-UHFFFAOYSA-N -1 3 295.299 1.083 20 30 CDEDHM N#CCCOCCN1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001606349166 1163875217 /nfs/dbraw/zinc/87/52/17/1163875217.db2.gz DXSHFNWBRMFMSM-UHFFFAOYSA-N -1 3 284.323 1.113 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1S[C@H]1CCOC1 ZINC001606380136 1163882167 /nfs/dbraw/zinc/88/21/67/1163882167.db2.gz RHDGCPFZEKXPKI-VIFPVBQESA-N -1 3 273.321 1.619 20 30 CDEDHM N#Cc1ccnc(CN[C@]2(CC(=O)[O-])CCCOC2)c1 ZINC001608221166 1164457040 /nfs/dbraw/zinc/45/70/40/1164457040.db2.gz VHGPQJYILCCDDS-AWEZNQCLSA-N -1 3 275.308 1.067 20 30 CDEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609073751 1164756392 /nfs/dbraw/zinc/75/63/92/1164756392.db2.gz MQPFXZOPEMIFLP-SECBINFHSA-N -1 3 290.352 1.596 20 30 CDEDHM CC(C)CNN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001609096333 1164767679 /nfs/dbraw/zinc/76/76/79/1164767679.db2.gz VGPBXVHHIYZOMM-UHFFFAOYSA-N -1 3 270.340 1.763 20 30 CDEDHM CC(C)CNN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001609096333 1164767684 /nfs/dbraw/zinc/76/76/84/1164767684.db2.gz VGPBXVHHIYZOMM-UHFFFAOYSA-N -1 3 270.340 1.763 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1CN(C)[C@H](C)CC#N ZINC001609388559 1164922171 /nfs/dbraw/zinc/92/21/71/1164922171.db2.gz ZMFLLEUZTSPAIL-LLVKDONJSA-N -1 3 270.340 1.909 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1CN(C)[C@H](C)CC#N ZINC001609388559 1164922175 /nfs/dbraw/zinc/92/21/75/1164922175.db2.gz ZMFLLEUZTSPAIL-LLVKDONJSA-N -1 3 270.340 1.909 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)c1ccccc1 ZINC001609446816 1164953198 /nfs/dbraw/zinc/95/31/98/1164953198.db2.gz SMJVPAXLWMUNME-UHFFFAOYSA-N -1 3 293.290 1.126 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)c1ccccc1 ZINC001609446816 1164953204 /nfs/dbraw/zinc/95/32/04/1164953204.db2.gz SMJVPAXLWMUNME-UHFFFAOYSA-N -1 3 293.290 1.126 20 30 CDEDHM Cc1nc(C(=O)N[C@@H](C#N)C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001609447704 1164954259 /nfs/dbraw/zinc/95/42/59/1164954259.db2.gz WRGFSPAICSNVMN-NSHDSACASA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1nc(C(=O)N[C@@H](C#N)C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001609447704 1164954264 /nfs/dbraw/zinc/95/42/64/1164954264.db2.gz WRGFSPAICSNVMN-NSHDSACASA-N -1 3 299.338 1.238 20 30 CDEDHM Clc1cccc(N=NCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001609473876 1164967398 /nfs/dbraw/zinc/96/73/98/1164967398.db2.gz PWFYUPKCOIEFAF-UHFFFAOYSA-N -1 3 289.686 1.954 20 30 CDEDHM Cc1ccccc1[C@@H](O)CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001610529169 1165340421 /nfs/dbraw/zinc/34/04/21/1165340421.db2.gz LFGAPKFUCMHNBG-AWEZNQCLSA-N -1 3 288.347 1.719 20 30 CDEDHM C#C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000124026123 1165409720 /nfs/dbraw/zinc/40/97/20/1165409720.db2.gz UINBEKAZMGEPSU-ZETCQYMHSA-N -1 3 272.257 1.034 20 30 CDEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@@H]1F ZINC000872345746 1165421361 /nfs/dbraw/zinc/42/13/61/1165421361.db2.gz UIMXQTLVPAKLGN-NSHDSACASA-N -1 3 270.329 1.984 20 30 CDEDHM CCCc1csc(NC(=O)N[C@H]2CCCN([O-])C2=O)n1 ZINC000879120506 1166301152 /nfs/dbraw/zinc/30/11/52/1166301152.db2.gz IDUKRNAMBLATAB-VIFPVBQESA-N -1 3 298.368 1.597 20 30 CDEDHM COC(=O)CNC(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000095190155 1166607300 /nfs/dbraw/zinc/60/73/00/1166607300.db2.gz QQOZPDSPKZWCBD-DAXSKMNVSA-N -1 3 287.279 1.009 20 30 CDEDHM COC(=O)CNC(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000095190155 1166607305 /nfs/dbraw/zinc/60/73/05/1166607305.db2.gz QQOZPDSPKZWCBD-DAXSKMNVSA-N -1 3 287.279 1.009 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588325307 1173023925 /nfs/dbraw/zinc/02/39/25/1173023925.db2.gz JUPCJIYULXRAMQ-MNOVXSKESA-N -1 3 299.334 1.114 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588325307 1173023929 /nfs/dbraw/zinc/02/39/29/1173023929.db2.gz JUPCJIYULXRAMQ-MNOVXSKESA-N -1 3 299.334 1.114 20 30 CDEDHM C#CCN(CC)C(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001588350174 1173050490 /nfs/dbraw/zinc/05/04/90/1173050490.db2.gz GZCPKYSXLFMDHK-UHFFFAOYSA-N -1 3 294.318 1.443 20 30 CDEDHM C#CCN(CC)C(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001588350174 1173050492 /nfs/dbraw/zinc/05/04/92/1173050492.db2.gz GZCPKYSXLFMDHK-UHFFFAOYSA-N -1 3 294.318 1.443 20 30 CDEDHM C#CCN(CC#CC)C(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588349921 1173051979 /nfs/dbraw/zinc/05/19/79/1173051979.db2.gz RWOAVDWRNCTLHW-UHFFFAOYSA-N -1 3 293.330 1.274 20 30 CDEDHM C#CCN(CC#CC)C(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588349921 1173051987 /nfs/dbraw/zinc/05/19/87/1173051987.db2.gz RWOAVDWRNCTLHW-UHFFFAOYSA-N -1 3 293.330 1.274 20 30 CDEDHM C=C(C)CCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001588424177 1173062241 /nfs/dbraw/zinc/06/22/41/1173062241.db2.gz GYNRYDMIDNTPQX-UHFFFAOYSA-N -1 3 287.352 1.774 20 30 CDEDHM C=C(C)CCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001588424177 1173062248 /nfs/dbraw/zinc/06/22/48/1173062248.db2.gz GYNRYDMIDNTPQX-UHFFFAOYSA-N -1 3 287.352 1.774 20 30 CDEDHM C=CC(C)(C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588487965 1173070525 /nfs/dbraw/zinc/07/05/25/1173070525.db2.gz CJTHTKJBONJSEH-UHFFFAOYSA-N -1 3 260.301 1.137 20 30 CDEDHM C=CC(C)(C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588487965 1173070529 /nfs/dbraw/zinc/07/05/29/1173070529.db2.gz CJTHTKJBONJSEH-UHFFFAOYSA-N -1 3 260.301 1.137 20 30 CDEDHM C=CC1CCN(c2c(-c3nnn[n-]3)cnn2C)CC1 ZINC001588530850 1173077483 /nfs/dbraw/zinc/07/74/83/1173077483.db2.gz VGNBBCJEKZBLLY-UHFFFAOYSA-N -1 3 259.317 1.003 20 30 CDEDHM C=CC1CCN(c2c(-c3nn[n-]n3)cnn2C)CC1 ZINC001588530850 1173077487 /nfs/dbraw/zinc/07/74/87/1173077487.db2.gz VGNBBCJEKZBLLY-UHFFFAOYSA-N -1 3 259.317 1.003 20 30 CDEDHM C=CC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588539745 1173078931 /nfs/dbraw/zinc/07/89/31/1173078931.db2.gz XQJDSEVVKLZPKT-QMMMGPOBSA-N -1 3 261.285 1.327 20 30 CDEDHM C=CC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588539745 1173078937 /nfs/dbraw/zinc/07/89/37/1173078937.db2.gz XQJDSEVVKLZPKT-QMMMGPOBSA-N -1 3 261.285 1.327 20 30 CDEDHM C=CCO[C@@H]1CCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001588665567 1173095208 /nfs/dbraw/zinc/09/52/08/1173095208.db2.gz MTTAFDDOYKTROY-GFCCVEGCSA-N -1 3 296.334 1.520 20 30 CDEDHM C=CCO[C@@H]1CCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001588665567 1173095218 /nfs/dbraw/zinc/09/52/18/1173095218.db2.gz MTTAFDDOYKTROY-GFCCVEGCSA-N -1 3 296.334 1.520 20 30 CDEDHM C=CCSCCNc1snc(C)c1-c1nnn[n-]1 ZINC001588694205 1173099701 /nfs/dbraw/zinc/09/97/01/1173099701.db2.gz FFTORDUNLCJXHL-UHFFFAOYSA-N -1 3 282.398 1.963 20 30 CDEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](C#N)C2)c1 ZINC001588901000 1173110959 /nfs/dbraw/zinc/11/09/59/1173110959.db2.gz IMMSZYMZPBLEFE-NSHDSACASA-N -1 3 296.334 1.809 20 30 CDEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](C#N)C2)c1 ZINC001588901000 1173110964 /nfs/dbraw/zinc/11/09/64/1173110964.db2.gz IMMSZYMZPBLEFE-NSHDSACASA-N -1 3 296.334 1.809 20 30 CDEDHM C[C@H](C#N)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588934418 1173115717 /nfs/dbraw/zinc/11/57/17/1173115717.db2.gz LUYVBDVOSCTBOR-SSDOTTSWSA-N -1 3 289.274 1.287 20 30 CDEDHM C[C@H](C#N)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588934418 1173115719 /nfs/dbraw/zinc/11/57/19/1173115719.db2.gz LUYVBDVOSCTBOR-SSDOTTSWSA-N -1 3 289.274 1.287 20 30 CDEDHM C[C@H](CC#N)C(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001589788568 1173182390 /nfs/dbraw/zinc/18/23/90/1173182390.db2.gz YYBJBLQBDLIDJQ-SNVBAGLBSA-N -1 3 296.334 1.696 20 30 CDEDHM C[C@H](CC#N)C(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589788568 1173182395 /nfs/dbraw/zinc/18/23/95/1173182395.db2.gz YYBJBLQBDLIDJQ-SNVBAGLBSA-N -1 3 296.334 1.696 20 30 CDEDHM C[C@H]1COCC[C@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590324073 1173356090 /nfs/dbraw/zinc/35/60/90/1173356090.db2.gz MZORLMACENPQDZ-JOYOIKCWSA-N -1 3 284.323 1.575 20 30 CDEDHM C[C@H]1COCC[C@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590324073 1173356093 /nfs/dbraw/zinc/35/60/93/1173356093.db2.gz MZORLMACENPQDZ-JOYOIKCWSA-N -1 3 284.323 1.575 20 30 CDEDHM CC[C@H](CCO)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590439978 1173410457 /nfs/dbraw/zinc/41/04/57/1173410457.db2.gz VQQOUJRZEPMCIN-SNVBAGLBSA-N -1 3 272.312 1.311 20 30 CDEDHM CC[C@H](CCO)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590439978 1173410459 /nfs/dbraw/zinc/41/04/59/1173410459.db2.gz VQQOUJRZEPMCIN-SNVBAGLBSA-N -1 3 272.312 1.311 20 30 CDEDHM CCN(Cc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](C)C#N ZINC001590718670 1173495065 /nfs/dbraw/zinc/49/50/65/1173495065.db2.gz BYDKVUKXXPOFQS-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM CCN(Cc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](C)C#N ZINC001590718670 1173495074 /nfs/dbraw/zinc/49/50/74/1173495074.db2.gz BYDKVUKXXPOFQS-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM CCN(Cc1cc(-c2nnn[n-]2)ccc1F)[C@H](C)C#N ZINC001590716834 1173495269 /nfs/dbraw/zinc/49/52/69/1173495269.db2.gz JAVOOSJKGMTKNJ-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM CCN(Cc1cc(-c2nn[n-]n2)ccc1F)[C@H](C)C#N ZINC001590716834 1173495272 /nfs/dbraw/zinc/49/52/72/1173495272.db2.gz JAVOOSJKGMTKNJ-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM CCN(Cc1ccc(-c2nnn[n-]2)cc1F)C[C@@H](C)C#N ZINC001590719895 1173498792 /nfs/dbraw/zinc/49/87/92/1173498792.db2.gz WYMBUNQXTLPJHQ-JTQLQIEISA-N -1 3 288.330 1.987 20 30 CDEDHM CCN(Cc1ccc(-c2nn[n-]n2)cc1F)C[C@@H](C)C#N ZINC001590719895 1173498795 /nfs/dbraw/zinc/49/87/95/1173498795.db2.gz WYMBUNQXTLPJHQ-JTQLQIEISA-N -1 3 288.330 1.987 20 30 CDEDHM CCc1noc([C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001590934140 1173548167 /nfs/dbraw/zinc/54/81/67/1173548167.db2.gz BVIAIIQWJCRCHC-LLVKDONJSA-N -1 3 295.306 1.662 20 30 CDEDHM CCc1noc([C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001590934140 1173548171 /nfs/dbraw/zinc/54/81/71/1173548171.db2.gz BVIAIIQWJCRCHC-LLVKDONJSA-N -1 3 295.306 1.662 20 30 CDEDHM CN(CC1=CCSC1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591049897 1173565045 /nfs/dbraw/zinc/56/50/45/1173565045.db2.gz AMMCTFZDQDOZEC-UHFFFAOYSA-N -1 3 298.375 1.848 20 30 CDEDHM CN(CC1=CCSC1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591049897 1173565048 /nfs/dbraw/zinc/56/50/48/1173565048.db2.gz AMMCTFZDQDOZEC-UHFFFAOYSA-N -1 3 298.375 1.848 20 30 CDEDHM Cc1c(C(=O)N2CCC(C#N)CC2)cccc1-c1nnn[n-]1 ZINC001591802535 1173707094 /nfs/dbraw/zinc/70/70/94/1173707094.db2.gz OSLZALPVEHNIAU-UHFFFAOYSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1c(C(=O)N2CCC(C#N)CC2)cccc1-c1nn[n-]n1 ZINC001591802535 1173707098 /nfs/dbraw/zinc/70/70/98/1173707098.db2.gz OSLZALPVEHNIAU-UHFFFAOYSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CN1CCOC[C@@H]1C#N ZINC001591846963 1173714956 /nfs/dbraw/zinc/71/49/56/1173714956.db2.gz NLYHDUSTBSZIMY-ZDUSSCGKSA-N -1 3 298.350 1.208 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN1CCOC[C@@H]1C#N ZINC001591846963 1173714961 /nfs/dbraw/zinc/71/49/61/1173714961.db2.gz NLYHDUSTBSZIMY-ZDUSSCGKSA-N -1 3 298.350 1.208 20 30 CDEDHM Cc1cc(N2CCC(CC#N)CC2)ncc1-c1nnn[n-]1 ZINC001592000236 1173769614 /nfs/dbraw/zinc/76/96/14/1173769614.db2.gz QBRLHSZFWSFVTE-UHFFFAOYSA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1cc(N2CCC(CC#N)CC2)ncc1-c1nn[n-]n1 ZINC001592000236 1173769618 /nfs/dbraw/zinc/76/96/18/1173769618.db2.gz QBRLHSZFWSFVTE-UHFFFAOYSA-N -1 3 283.339 1.700 20 30 CDEDHM 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ZGKJSYHSPCDMOQ-UHFFFAOYSA-N -1 3 296.319 1.225 20 30 CDEDHM Cn1c(C(=O)Oc2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001592550838 1173919716 /nfs/dbraw/zinc/91/97/16/1173919716.db2.gz CNMRNDLCTFQPMB-UHFFFAOYSA-N -1 3 294.274 1.296 20 30 CDEDHM Cn1c(C(=O)Oc2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001592550838 1173919722 /nfs/dbraw/zinc/91/97/22/1173919722.db2.gz CNMRNDLCTFQPMB-UHFFFAOYSA-N -1 3 294.274 1.296 20 30 CDEDHM N#C[C@@H](C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001592664374 1173957109 /nfs/dbraw/zinc/95/71/09/1173957109.db2.gz BXEYHMXOFPDMKE-GFCCVEGCSA-N -1 3 290.286 1.752 20 30 CDEDHM N#CC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001592670207 1173960474 /nfs/dbraw/zinc/96/04/74/1173960474.db2.gz VXBNSBHLKQXIPV-UHFFFAOYSA-N -1 3 285.267 1.491 20 30 CDEDHM N#CC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001592670207 1173960479 /nfs/dbraw/zinc/96/04/79/1173960479.db2.gz VXBNSBHLKQXIPV-UHFFFAOYSA-N -1 3 285.267 1.491 20 30 CDEDHM N#C[C@H]1CCC[C@H](OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 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CDEDHM C#CCN1CC[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)C1=O ZINC001269682554 904040198 /nfs/dbraw/zinc/04/01/98/904040198.db2.gz INKUEFNVHACJEC-KRWDZBQOSA-N -1 3 298.342 1.090 20 30 CDEDHM N#Cc1cc(C(F)(F)F)cnc1[N-]c1nccnc1CN ZINC001171441992 910540460 /nfs/dbraw/zinc/54/04/60/910540460.db2.gz YZDKHFMLXMOILZ-UHFFFAOYSA-N -1 3 294.240 1.964 20 30 CDEDHM COc1ccc(CC(=O)Nc2ccc([O-])c(C#N)c2)cn1 ZINC001177880798 915048372 /nfs/dbraw/zinc/04/83/72/915048372.db2.gz GIAUQJUELUZUNM-UHFFFAOYSA-N -1 3 283.287 1.849 20 30 CDEDHM CCCCC(=O)NCC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001183269847 918423022 /nfs/dbraw/zinc/42/30/22/918423022.db2.gz JLERJPDTDUHAEP-UHFFFAOYSA-N -1 3 275.308 1.509 20 30 CDEDHM C=CCCc1ccc(C(=O)NCc2ncccc2[O-])c(=O)[nH]1 ZINC001185362806 919549477 /nfs/dbraw/zinc/54/94/77/919549477.db2.gz NJAOTKBFGMAPIF-UHFFFAOYSA-N -1 3 299.330 1.936 20 30 CDEDHM Cc1oncc1S(=O)(=O)[N-]Cc1ccc(C#N)s1 ZINC001187400260 920525890 /nfs/dbraw/zinc/52/58/90/920525890.db2.gz BWSQYYYZAYAARB-UHFFFAOYSA-N -1 3 283.334 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/nfs/dbraw/zinc/03/44/15/1173034415.db2.gz OQAVJCXQAPPCRK-GFCCVEGCSA-N -1 3 298.346 1.981 20 30 CDEDHM C#CC[C@@H](C)OC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588331439 1173034422 /nfs/dbraw/zinc/03/44/22/1173034422.db2.gz OQAVJCXQAPPCRK-GFCCVEGCSA-N -1 3 298.346 1.981 20 30 CDEDHM C#CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(N)n2)C1 ZINC001588335428 1173040459 /nfs/dbraw/zinc/04/04/59/1173040459.db2.gz MNSBZUMLSLWBFG-SNVBAGLBSA-N -1 3 283.339 1.084 20 30 CDEDHM C#CCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588346578 1173046936 /nfs/dbraw/zinc/04/69/36/1173046936.db2.gz BZKFPFJCELWTHD-UHFFFAOYSA-N -1 3 258.241 1.210 20 30 CDEDHM C#CCN(CC#CC)Cc1ccc(-c2nn[n-]n2)cc1C ZINC001588350396 1173050957 /nfs/dbraw/zinc/05/09/57/1173050957.db2.gz TXNOHAQIJFJKOJ-UHFFFAOYSA-N -1 3 279.347 1.634 20 30 CDEDHM C#CCN(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588350124 1173051823 /nfs/dbraw/zinc/05/18/23/1173051823.db2.gz CWERQDGNFCDXPJ-UHFFFAOYSA-N -1 3 288.286 1.493 20 30 CDEDHM C#CCN(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588350124 1173051828 /nfs/dbraw/zinc/05/18/28/1173051828.db2.gz CWERQDGNFCDXPJ-UHFFFAOYSA-N -1 3 288.286 1.493 20 30 CDEDHM C(=NNCC1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001588381925 1173056017 /nfs/dbraw/zinc/05/60/17/1173056017.db2.gz WQTWOUGJVKANED-UHFFFAOYSA-N -1 3 270.340 1.980 20 30 CDEDHM C(=NNCC1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001588381925 1173056022 /nfs/dbraw/zinc/05/60/22/1173056022.db2.gz WQTWOUGJVKANED-UHFFFAOYSA-N -1 3 270.340 1.980 20 30 CDEDHM C(=NOC1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001588384258 1173057171 /nfs/dbraw/zinc/05/71/71/1173057171.db2.gz AQHMCZGAWRKXBX-UHFFFAOYSA-N -1 3 273.296 1.396 20 30 CDEDHM C=C[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588527601 1173076228 /nfs/dbraw/zinc/07/62/28/1173076228.db2.gz PSSCUUFUYSXJDA-VIFPVBQESA-N -1 3 272.312 1.376 20 30 CDEDHM C=C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588527601 1173076234 /nfs/dbraw/zinc/07/62/34/1173076234.db2.gz PSSCUUFUYSXJDA-VIFPVBQESA-N -1 3 272.312 1.376 20 30 CDEDHM C=CC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588560766 1173079774 /nfs/dbraw/zinc/07/97/74/1173079774.db2.gz UQYIHJXCBHPWKF-JTQLQIEISA-N -1 3 286.339 1.623 20 30 CDEDHM C=CC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588560766 1173079782 /nfs/dbraw/zinc/07/97/82/1173079782.db2.gz UQYIHJXCBHPWKF-JTQLQIEISA-N -1 3 286.339 1.623 20 30 CDEDHM C=CCC[C@@H](O)CN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001588580090 1173086910 /nfs/dbraw/zinc/08/69/10/1173086910.db2.gz ZISRHFCWXXVGMK-GFCCVEGCSA-N -1 3 299.378 1.946 20 30 CDEDHM C=CCC[C@@H](O)CN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001588580090 1173086915 /nfs/dbraw/zinc/08/69/15/1173086915.db2.gz ZISRHFCWXXVGMK-GFCCVEGCSA-N -1 3 299.378 1.946 20 30 CDEDHM C=CCONC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588689152 1173099745 /nfs/dbraw/zinc/09/97/45/1173099745.db2.gz HLQVZRWGYLXPOV-UHFFFAOYSA-N -1 3 274.284 1.414 20 30 CDEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ncc[nH]1 ZINC001588777338 1173103853 /nfs/dbraw/zinc/10/38/53/1173103853.db2.gz NPUCQEALKIBMDM-UHFFFAOYSA-N -1 3 282.311 1.104 20 30 CDEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ncc[nH]1 ZINC001588777338 1173103858 /nfs/dbraw/zinc/10/38/58/1173103858.db2.gz NPUCQEALKIBMDM-UHFFFAOYSA-N -1 3 282.311 1.104 20 30 CDEDHM CC(C)(C#N)CC(=O)OCc1ccccc1-c1nnn[n-]1 ZINC001589033237 1173120638 /nfs/dbraw/zinc/12/06/38/1173120638.db2.gz BBCQJGOTUCNFDD-UHFFFAOYSA-N -1 3 285.307 1.850 20 30 CDEDHM CC(C)(C#N)CC(=O)OCc1ccccc1-c1nn[n-]n1 ZINC001589033237 1173120642 /nfs/dbraw/zinc/12/06/42/1173120642.db2.gz BBCQJGOTUCNFDD-UHFFFAOYSA-N -1 3 285.307 1.850 20 30 CDEDHM C[C@H](CC#N)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589786820 1173179499 /nfs/dbraw/zinc/17/94/99/1173179499.db2.gz DYGDBEKEPDTJLG-SSDOTTSWSA-N -1 3 289.274 1.429 20 30 CDEDHM C[C@H](CC#N)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589786820 1173179502 /nfs/dbraw/zinc/17/95/02/1173179502.db2.gz DYGDBEKEPDTJLG-SSDOTTSWSA-N -1 3 289.274 1.429 20 30 CDEDHM C[C@@]1(C#N)CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001590053738 1173241320 /nfs/dbraw/zinc/24/13/20/1173241320.db2.gz FQUDZWDRRDWAIZ-AWEZNQCLSA-N -1 3 282.307 1.242 20 30 CDEDHM C[C@@]1(C#N)CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001590053738 1173241324 /nfs/dbraw/zinc/24/13/24/1173241324.db2.gz FQUDZWDRRDWAIZ-AWEZNQCLSA-N -1 3 282.307 1.242 20 30 CDEDHM CC[C@H](O)CCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590474535 1173428496 /nfs/dbraw/zinc/42/84/96/1173428496.db2.gz AYHYPYQZNYRYTD-NSHDSACASA-N -1 3 286.339 1.701 20 30 CDEDHM CC[C@H](O)CCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590474535 1173428500 /nfs/dbraw/zinc/42/85/00/1173428500.db2.gz AYHYPYQZNYRYTD-NSHDSACASA-N -1 3 286.339 1.701 20 30 CDEDHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001590860399 1173530025 /nfs/dbraw/zinc/53/00/25/1173530025.db2.gz RFSSCFNOTKUAIJ-PRHODGIISA-N -1 3 282.307 1.723 20 30 CDEDHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001590860399 1173530029 /nfs/dbraw/zinc/53/00/29/1173530029.db2.gz RFSSCFNOTKUAIJ-PRHODGIISA-N -1 3 282.307 1.723 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCC[C@H]1C#N ZINC001591137358 1173576928 /nfs/dbraw/zinc/57/69/28/1173576928.db2.gz XNJKTRJUCWVKEV-GXFFZTMASA-N -1 3 283.339 1.386 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCC[C@H]1C#N ZINC001591137358 1173576934 /nfs/dbraw/zinc/57/69/34/1173576934.db2.gz XNJKTRJUCWVKEV-GXFFZTMASA-N -1 3 283.339 1.386 20 30 CDEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)C#N ZINC001591222855 1173593335 /nfs/dbraw/zinc/59/33/35/1173593335.db2.gz JZPLJAWKFKANTH-UHFFFAOYSA-N -1 3 285.311 1.397 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC001591780429 1173702479 /nfs/dbraw/zinc/70/24/79/1173702479.db2.gz YERFJBQXRYTVSB-BXKDBHETSA-N -1 3 299.338 1.268 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC001591780429 1173702483 /nfs/dbraw/zinc/70/24/83/1173702483.db2.gz YERFJBQXRYTVSB-BXKDBHETSA-N -1 3 299.338 1.268 20 30 CDEDHM Cc1c(C(=O)NCC2(C#N)CCC2)cccc1-c1nnn[n-]1 ZINC001591806776 1173706209 /nfs/dbraw/zinc/70/62/09/1173706209.db2.gz UTKFFEILBYIKJD-UHFFFAOYSA-N -1 3 296.334 1.599 20 30 CDEDHM Cc1c(C(=O)NCC2(C#N)CCC2)cccc1-c1nn[n-]n1 ZINC001591806776 1173706213 /nfs/dbraw/zinc/70/62/13/1173706213.db2.gz UTKFFEILBYIKJD-UHFFFAOYSA-N -1 3 296.334 1.599 20 30 CDEDHM Cc1cc(C(=O)O[C@H](CC#N)C2CC2)ncc1-c1nnn[n-]1 ZINC001591936182 1173750550 /nfs/dbraw/zinc/75/05/50/1173750550.db2.gz KIBSFXJOQZPDDH-GFCCVEGCSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1cc(C(=O)O[C@H](CC#N)C2CC2)ncc1-c1nn[n-]n1 ZINC001591936182 1173750553 /nfs/dbraw/zinc/75/05/53/1173750553.db2.gz KIBSFXJOQZPDDH-GFCCVEGCSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1cc(CN(CC#N)C2CC2)ccc1-c1nnn[n-]1 ZINC001591962243 1173756327 /nfs/dbraw/zinc/75/63/27/1173756327.db2.gz IJEULBMDXSMARB-UHFFFAOYSA-N -1 3 268.324 1.663 20 30 CDEDHM Cc1cc(CN(CC#N)C2CC2)ccc1-c1nn[n-]n1 ZINC001591962243 1173756332 /nfs/dbraw/zinc/75/63/32/1173756332.db2.gz IJEULBMDXSMARB-UHFFFAOYSA-N -1 3 268.324 1.663 20 30 CDEDHM Cc1ccc(C(=O)OCCCC#N)cc1-c1nnn[n-]1 ZINC001592131998 1173808132 /nfs/dbraw/zinc/80/81/32/1173808132.db2.gz ZBBBNJQNFFENFH-UHFFFAOYSA-N -1 3 271.280 1.636 20 30 CDEDHM Cc1ccc(C(=O)OCCCC#N)cc1-c1nn[n-]n1 ZINC001592131998 1173808136 /nfs/dbraw/zinc/80/81/36/1173808136.db2.gz ZBBBNJQNFFENFH-UHFFFAOYSA-N -1 3 271.280 1.636 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001592340831 1173861228 /nfs/dbraw/zinc/86/12/28/1173861228.db2.gz KPTVFWPMMQKIGB-SCVCMEIPSA-N -1 3 299.338 1.201 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001592340831 1173861235 /nfs/dbraw/zinc/86/12/35/1173861235.db2.gz KPTVFWPMMQKIGB-SCVCMEIPSA-N -1 3 299.338 1.201 20 30 CDEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592672583 1173964039 /nfs/dbraw/zinc/96/40/39/1173964039.db2.gz LCDKFQDCIDERMC-KOLCDFICSA-N -1 3 298.306 1.501 20 30 CDEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592672583 1173964044 /nfs/dbraw/zinc/96/40/44/1173964044.db2.gz LCDKFQDCIDERMC-KOLCDFICSA-N -1 3 298.306 1.501 20 30 CDEDHM N#CC[C@H]1CCCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592673776 1173966191 /nfs/dbraw/zinc/96/61/91/1173966191.db2.gz NZHGEACFRMQYHV-LLVKDONJSA-N -1 3 296.334 1.633 20 30 CDEDHM N#CC[C@H]1CCCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592673776 1173966196 /nfs/dbraw/zinc/96/61/96/1173966196.db2.gz NZHGEACFRMQYHV-LLVKDONJSA-N -1 3 296.334 1.633 20 30 CDEDHM N#Cc1cncc(Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592704715 1173977486 /nfs/dbraw/zinc/97/74/86/1173977486.db2.gz RNRYSTIYZTWILQ-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM N#Cc1cnccc1CN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001601131884 1174757320 /nfs/dbraw/zinc/75/73/20/1174757320.db2.gz VRQKQZQLALJAQK-IACUBPJLSA-N -1 3 271.320 1.638 20 30 CDEDHM C#CC[C@H](CCOC)NCc1ccc(/C=C/C(=O)[O-])o1 ZINC001602682759 1175350570 /nfs/dbraw/zinc/35/05/70/1175350570.db2.gz FOKFEJGQHHKPTQ-ABZNLYFFSA-N -1 3 277.320 1.895 20 30 CDEDHM C#CC[C@H](COC)Nc1cc(-c2nnn[n-]2)ccc1C(C)=O ZINC001602697807 1175362687 /nfs/dbraw/zinc/36/26/87/1175362687.db2.gz SSAJGCPJCJTKLT-GFCCVEGCSA-N -1 3 299.334 1.520 20 30 CDEDHM C#CC[C@H](COC)Nc1cc(-c2nn[n-]n2)ccc1C(C)=O ZINC001602697807 1175362693 /nfs/dbraw/zinc/36/26/93/1175362693.db2.gz SSAJGCPJCJTKLT-GFCCVEGCSA-N -1 3 299.334 1.520 20 30 CDEDHM C=C(C)COCCNCc1ccccc1OCC(=O)[O-] ZINC001602762507 1175392723 /nfs/dbraw/zinc/39/27/23/1175392723.db2.gz TZWORSMOFHALDA-UHFFFAOYSA-N -1 3 279.336 1.832 20 30 CDEDHM C=C1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC001602777043 1175397246 /nfs/dbraw/zinc/39/72/46/1175397246.db2.gz OAUXNICUAONWFF-UHFFFAOYSA-N -1 3 255.281 1.187 20 30 CDEDHM C=C1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC001602777043 1175397252 /nfs/dbraw/zinc/39/72/52/1175397252.db2.gz OAUXNICUAONWFF-UHFFFAOYSA-N -1 3 255.281 1.187 20 30 CDEDHM C=CC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)n2C)C1 ZINC001602824177 1175418300 /nfs/dbraw/zinc/41/83/00/1175418300.db2.gz OGSDANIYIGXVQC-JTQLQIEISA-N -1 3 286.339 1.243 20 30 CDEDHM C=CC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)n2C)C1 ZINC001602824177 1175418303 /nfs/dbraw/zinc/41/83/03/1175418303.db2.gz OGSDANIYIGXVQC-JTQLQIEISA-N -1 3 286.339 1.243 20 30 CDEDHM C=CCCC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001602824536 1175418392 /nfs/dbraw/zinc/41/83/92/1175418392.db2.gz NJFRFQVSXHAQHO-UHFFFAOYSA-N -1 3 285.351 1.834 20 30 CDEDHM C=CCCC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001602824536 1175418399 /nfs/dbraw/zinc/41/83/99/1175418399.db2.gz NJFRFQVSXHAQHO-UHFFFAOYSA-N -1 3 285.351 1.834 20 30 CDEDHM C=CCN1CCC(NC(=O)c2ccsc2C(=O)[O-])CC1 ZINC001602897571 1175445833 /nfs/dbraw/zinc/44/58/33/1175445833.db2.gz ATXNCSPZYDACTH-UHFFFAOYSA-N -1 3 294.376 1.827 20 30 CDEDHM CC(=NN1CCC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001602905871 1175447855 /nfs/dbraw/zinc/44/78/55/1175447855.db2.gz GNHVDFFRJKWMEN-UHFFFAOYSA-N -1 3 276.731 1.950 20 30 CDEDHM CC(=NN1CCC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001602905871 1175447859 /nfs/dbraw/zinc/44/78/59/1175447859.db2.gz GNHVDFFRJKWMEN-UHFFFAOYSA-N -1 3 276.731 1.950 20 30 CDEDHM C=CCNC(=O)CNCc1c2ccccc2[nH]c1C(=O)[O-] ZINC001602901567 1175447973 /nfs/dbraw/zinc/44/79/73/1175447973.db2.gz PJRPFOYOEPCHFV-UHFFFAOYSA-N -1 3 287.319 1.258 20 30 CDEDHM C[C@@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001602990237 1175473378 /nfs/dbraw/zinc/47/33/78/1175473378.db2.gz XGRZKJLWXZUWBV-TVYUQYBPSA-N -1 3 296.334 1.341 20 30 CDEDHM C[C@@H](C#N)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001602990237 1175473382 /nfs/dbraw/zinc/47/33/82/1175473382.db2.gz XGRZKJLWXZUWBV-TVYUQYBPSA-N -1 3 296.334 1.341 20 30 CDEDHM CC(C)(CC#N)CNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001603136171 1175499321 /nfs/dbraw/zinc/49/93/21/1175499321.db2.gz YZGDOGJPNZQGOI-UHFFFAOYSA-N -1 3 299.338 1.928 20 30 CDEDHM CC(C)(CC#N)CNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001603136171 1175499324 /nfs/dbraw/zinc/49/93/24/1175499324.db2.gz YZGDOGJPNZQGOI-UHFFFAOYSA-N -1 3 299.338 1.928 20 30 CDEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001603200691 1175513444 /nfs/dbraw/zinc/51/34/44/1175513444.db2.gz JQXNGCWQMTUTIP-LLVKDONJSA-N -1 3 289.270 1.711 20 30 CDEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001603200691 1175513451 /nfs/dbraw/zinc/51/34/51/1175513451.db2.gz JQXNGCWQMTUTIP-LLVKDONJSA-N -1 3 289.270 1.711 20 30 CDEDHM C[C@]1(C#N)CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001603738048 1175613870 /nfs/dbraw/zinc/61/38/70/1175613870.db2.gz YGZIXOZMUJZGOW-CYBMUJFWSA-N -1 3 290.277 1.885 20 30 CDEDHM C[C@]1(C#N)CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001603738048 1175613883 /nfs/dbraw/zinc/61/38/83/1175613883.db2.gz YGZIXOZMUJZGOW-CYBMUJFWSA-N -1 3 290.277 1.885 20 30 CDEDHM C[C@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCCO1 ZINC001603808280 1175639850 /nfs/dbraw/zinc/63/98/50/1175639850.db2.gz YZNAURFVNPJWST-CQSZACIVSA-N -1 3 284.323 1.719 20 30 CDEDHM C[C@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCCO1 ZINC001603808280 1175639853 /nfs/dbraw/zinc/63/98/53/1175639853.db2.gz YZNAURFVNPJWST-CQSZACIVSA-N -1 3 284.323 1.719 20 30 CDEDHM C[C@@H]1COCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001603947775 1175694906 /nfs/dbraw/zinc/69/49/06/1175694906.db2.gz IVAHJXBKKLHKJW-JTQLQIEISA-N -1 3 284.323 1.211 20 30 CDEDHM C[C@@H]1COCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001603947775 1175694907 /nfs/dbraw/zinc/69/49/07/1175694907.db2.gz IVAHJXBKKLHKJW-JTQLQIEISA-N -1 3 284.323 1.211 20 30 CDEDHM Cc1nc(C)c(CC(=O)O[C@H]2CCC[C@@H](C#N)C2)c(=O)[n-]1 ZINC001772356797 1187195702 /nfs/dbraw/zinc/19/57/02/1187195702.db2.gz OLNOUNFENROTHU-NEPJUHHUSA-N -1 3 289.335 1.967 20 30 CDEDHM N#CCCCCOC(=O)c1cscc1-c1nnn[n-]1 ZINC001606348517 1163873884 /nfs/dbraw/zinc/87/38/84/1163873884.db2.gz YFOBYCWQPPZAII-UHFFFAOYSA-N -1 3 277.309 1.779 20 30 CDEDHM N#CCCCCOC(=O)c1cscc1-c1nn[n-]n1 ZINC001606348517 1163873888 /nfs/dbraw/zinc/87/38/88/1163873888.db2.gz YFOBYCWQPPZAII-UHFFFAOYSA-N -1 3 277.309 1.779 20 30 CDEDHM Cc1cc(O)cc([O-])c1C(=O)N1CCC[C@@H](C#N)C1 ZINC001193930503 1164398077 /nfs/dbraw/zinc/39/80/77/1164398077.db2.gz NXBVWEBKVVKSHT-JTQLQIEISA-N -1 3 260.293 1.782 20 30 CDEDHM Cn1nccc1[C@@H](NCCC1(C#N)CCCCC1)C(=O)[O-] ZINC001608164769 1164431156 /nfs/dbraw/zinc/43/11/56/1164431156.db2.gz XIXNYXPVWJWLIF-CYBMUJFWSA-N -1 3 290.367 2.000 20 30 CDEDHM C=CCN(C)c1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC001609055895 1164750858 /nfs/dbraw/zinc/75/08/58/1164750858.db2.gz CPELYHHEMOFRBZ-UHFFFAOYSA-N -1 3 273.344 1.404 20 30 CDEDHM C=CCN(C)c1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC001609055895 1164750863 /nfs/dbraw/zinc/75/08/63/1164750863.db2.gz CPELYHHEMOFRBZ-UHFFFAOYSA-N -1 3 273.344 1.404 20 30 CDEDHM C=CCCOC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001609055306 1164750223 /nfs/dbraw/zinc/75/02/23/1164750223.db2.gz UMDWJVQXXDSKJU-UHFFFAOYSA-N -1 3 258.281 1.908 20 30 CDEDHM C=CCCOC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001609055306 1164750230 /nfs/dbraw/zinc/75/02/30/1164750230.db2.gz UMDWJVQXXDSKJU-UHFFFAOYSA-N -1 3 258.281 1.908 20 30 CDEDHM CC(=Nn1cnnc1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001609061395 1164754684 /nfs/dbraw/zinc/75/46/84/1164754684.db2.gz BGWBTSMSGPJIDY-UHFFFAOYSA-N -1 3 288.702 1.384 20 30 CDEDHM CC(=Nn1cnnc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001609061395 1164754690 /nfs/dbraw/zinc/75/46/90/1164754690.db2.gz BGWBTSMSGPJIDY-UHFFFAOYSA-N -1 3 288.702 1.384 20 30 CDEDHM N#CCCCOC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609495325 1164976756 /nfs/dbraw/zinc/97/67/56/1164976756.db2.gz CZDFSFCVBJLFTI-UHFFFAOYSA-N -1 3 257.253 1.327 20 30 CDEDHM N#CCCCOC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609495325 1164976761 /nfs/dbraw/zinc/97/67/61/1164976761.db2.gz CZDFSFCVBJLFTI-UHFFFAOYSA-N -1 3 257.253 1.327 20 30 CDEDHM COC[C@@H](C)OC[C@@H](C)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225470557 1167380755 /nfs/dbraw/zinc/38/07/55/1167380755.db2.gz WYPKBHVZCPGCSZ-GHMZBOCLSA-N -1 3 280.324 1.786 20 30 CDEDHM C=C[C@@H]1C[C@@]1([N-]S(=O)(=O)C1CCCC1)C(=O)OCC ZINC001259805235 1167433461 /nfs/dbraw/zinc/43/34/61/1167433461.db2.gz GZTWGXJDXIAZTM-MFKMUULPSA-N -1 3 287.381 1.356 20 30 CDEDHM N=C(c1ccccc1N)N([O-])C(=O)/C=C/c1nccs1 ZINC001177523578 914741261 /nfs/dbraw/zinc/74/12/61/914741261.db2.gz ARTATQOTAHLJKL-XWJXSYLFSA-N -1 3 288.332 1.982 20 30 CDEDHM C[C@@H](C[C@H](C)Nc1ncccc1C#N)NC(=O)c1cn[n-]n1 ZINC001089506819 914768563 /nfs/dbraw/zinc/76/85/63/914768563.db2.gz DHSWWGFQLKRURV-UWVGGRQHSA-N -1 3 299.338 1.080 20 30 CDEDHM C=C[C@H](Oc1c([O-])cccc1[N+](=O)[O-])C(=O)OC ZINC001226332843 905118205 /nfs/dbraw/zinc/11/82/05/905118205.db2.gz GBTPJXJXBPNDCS-VIFPVBQESA-N -1 3 253.210 1.407 20 30 CDEDHM NC(=NC(=O)c1cnn[n-]1)c1ccc2cc(O)ccc2c1 ZINC001189356732 921464601 /nfs/dbraw/zinc/46/46/01/921464601.db2.gz ZEBOOFSLZSXKHQ-UHFFFAOYSA-N -1 3 281.275 1.209 20 30 CDEDHM NC(=NC(=O)c1c[n-]nn1)c1ccc2cc(O)ccc2c1 ZINC001189356732 921464606 /nfs/dbraw/zinc/46/46/06/921464606.db2.gz ZEBOOFSLZSXKHQ-UHFFFAOYSA-N -1 3 281.275 1.209 20 30 CDEDHM N#Cc1cc(NC(=O)[C@@H]2CC3CCN2CC3)ccc1[O-] ZINC001142633346 909658103 /nfs/dbraw/zinc/65/81/03/909658103.db2.gz VBFBFLHGFNLECM-ZDUSSCGKSA-N -1 3 271.320 1.687 20 30 CDEDHM COC(=O)c1ccncc1C(=O)[N-]c1occ(C)c1C#N ZINC001189800131 921669029 /nfs/dbraw/zinc/66/90/29/921669029.db2.gz WYERZFATHYRKFB-UHFFFAOYSA-N -1 3 285.259 1.894 20 30 CDEDHM CC(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185059505 919382211 /nfs/dbraw/zinc/38/22/11/919382211.db2.gz ZQGJSENZXBOIPV-SNVBAGLBSA-N -1 3 288.760 1.347 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=O)Nc1ccc(F)c(F)c1 ZINC001185112310 919426684 /nfs/dbraw/zinc/42/66/84/919426684.db2.gz HXBZVDUERZGSRR-WKEGUHRASA-N -1 3 285.250 1.322 20 30 CDEDHM CC1(C#N)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001139091268 936595196 /nfs/dbraw/zinc/59/51/96/936595196.db2.gz IQINCIORZXQTGL-UHFFFAOYSA-N -1 3 254.297 1.212 20 30 CDEDHM CC1(C#N)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001139091268 936595197 /nfs/dbraw/zinc/59/51/97/936595197.db2.gz IQINCIORZXQTGL-UHFFFAOYSA-N -1 3 254.297 1.212 20 30 CDEDHM C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001078131113 920119705 /nfs/dbraw/zinc/11/97/05/920119705.db2.gz VZPJZFNYCPNJQW-MNOVXSKESA-N -1 3 289.335 1.176 20 30 CDEDHM Cc1oncc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC001187389394 920542605 /nfs/dbraw/zinc/54/26/05/920542605.db2.gz SGALXQXFRMBLEP-UHFFFAOYSA-N -1 3 269.326 1.345 20 30 CDEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2nccs2)o1 ZINC001187919034 920750951 /nfs/dbraw/zinc/75/09/51/920750951.db2.gz SIHVICMOPOCLRW-UHFFFAOYSA-N -1 3 269.307 1.086 20 30 CDEDHM C#CCCCNC(=O)c1c([O-])cc(OC)cc1OC ZINC001190146237 921846963 /nfs/dbraw/zinc/84/69/63/921846963.db2.gz VURHVKYIJYOFMT-UHFFFAOYSA-N -1 3 263.293 1.553 20 30 CDEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](O)C2)c1 ZINC001190663317 922110458 /nfs/dbraw/zinc/11/04/58/922110458.db2.gz RTZIGQZMRSXHRR-WDEREUQCSA-N -1 3 298.339 1.137 20 30 CDEDHM CC[C@@](C)(C#N)[N-]S(=O)(=O)c1cnccc1Cl ZINC001192913349 923320387 /nfs/dbraw/zinc/32/03/87/923320387.db2.gz UEBDTTXVRNXLDD-JTQLQIEISA-N -1 3 273.745 1.706 20 30 CDEDHM COC(=O)c1cc([N-]S(=O)(=O)[C@@H](C)C#N)c(C)cc1C ZINC001193157925 923499954 /nfs/dbraw/zinc/49/99/54/923499954.db2.gz JSVOBRZEANSFLU-JTQLQIEISA-N -1 3 296.348 1.744 20 30 CDEDHM N#CC1(NS(=O)(=O)c2ccc([O-])cc2)CCCC1 ZINC001195818996 924746817 /nfs/dbraw/zinc/74/68/17/924746817.db2.gz YDAXIURMWVONPL-UHFFFAOYSA-N -1 3 266.322 1.507 20 30 CDEDHM N#Cc1cc(NC(=O)c2csc(CO)n2)ccc1[O-] ZINC001196380673 924887097 /nfs/dbraw/zinc/88/70/97/924887097.db2.gz RHZVQXATRIHSKD-UHFFFAOYSA-N -1 3 275.289 1.465 20 30 CDEDHM Cc1cc([O-])cnc1NC(=O)c1ncccc1C#N ZINC001196546341 924934137 /nfs/dbraw/zinc/93/41/37/924934137.db2.gz ARXYUUOXLOJFLJ-UHFFFAOYSA-N -1 3 254.249 1.615 20 30 CDEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(OC)ccc1F ZINC001196788051 924982808 /nfs/dbraw/zinc/98/28/08/924982808.db2.gz FNTSIHSTVSACNF-ZDUSSCGKSA-N -1 3 285.340 1.915 20 30 CDEDHM COc1nccc(C(=O)Nc2ccc([O-])c(C#N)c2)n1 ZINC001199321211 925688848 /nfs/dbraw/zinc/68/88/48/925688848.db2.gz CDYMRELEOGBDFE-UHFFFAOYSA-N -1 3 270.248 1.315 20 30 CDEDHM CC(C)(C)OC(=O)c1cc(NC(=O)C#CC2CC2)[n-]n1 ZINC000828043272 926023348 /nfs/dbraw/zinc/02/33/48/926023348.db2.gz XFADPUDNHHYFOR-UHFFFAOYSA-N -1 3 275.308 1.717 20 30 CDEDHM CC(C)(C)OC(=O)c1cc(NC(=O)C#CC2CC2)n[n-]1 ZINC000828043272 926023356 /nfs/dbraw/zinc/02/33/56/926023356.db2.gz XFADPUDNHHYFOR-UHFFFAOYSA-N -1 3 275.308 1.717 20 30 CDEDHM N#Cc1cc(NC(=O)c2ccc3nncn3c2)ccc1[O-] ZINC001151669941 937299987 /nfs/dbraw/zinc/29/99/87/937299987.db2.gz NJMDDIAADMIAQS-UHFFFAOYSA-N -1 3 279.259 1.559 20 30 CDEDHM C=C(C)C[C@H](CO)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000882901460 930097762 /nfs/dbraw/zinc/09/77/62/930097762.db2.gz IRAVEDFBYRWVCW-LLVKDONJSA-N -1 3 267.300 1.517 20 30 CDEDHM CC[C@](N)(CO)Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001170861364 930493321 /nfs/dbraw/zinc/49/33/21/930493321.db2.gz AJYWNDCXXIMPPH-LDFGVUFUSA-N -1 3 291.273 1.983 20 30 CDEDHM C[C@H](C#N)CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819845216 930851244 /nfs/dbraw/zinc/85/12/44/930851244.db2.gz RIHRIUZZKNGKPS-SSDOTTSWSA-N -1 3 289.274 1.287 20 30 CDEDHM C[C@H](C#N)CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819845216 930851251 /nfs/dbraw/zinc/85/12/51/930851251.db2.gz RIHRIUZZKNGKPS-SSDOTTSWSA-N -1 3 289.274 1.287 20 30 CDEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)C(C)C)c1 ZINC001153759339 937466277 /nfs/dbraw/zinc/46/62/77/937466277.db2.gz LXIZMPRDTIOSJM-LBPRGKRZSA-N -1 3 287.319 1.795 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc2nccc(Cl)c2n1 ZINC001160176028 931246958 /nfs/dbraw/zinc/24/69/58/931246958.db2.gz CXYACEDIXFYEQP-CPCISQLKSA-N -1 3 292.726 1.931 20 30 CDEDHM C=CC[C@@H](C)C(=O)Nc1ncc(Br)[n-]c1=O ZINC001144026280 931631333 /nfs/dbraw/zinc/63/13/33/931631333.db2.gz FGIKHMLRHHHJTI-ZCFIWIBFSA-N -1 3 286.129 1.683 20 30 CDEDHM COc1ccc2ncc([O-])c(C(=O)N(C)[C@@H](C)C#N)c2c1 ZINC001154511198 937550772 /nfs/dbraw/zinc/55/07/72/937550772.db2.gz RPYBBRANOUXCKG-VIFPVBQESA-N -1 3 285.303 1.933 20 30 CDEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cncnc1 ZINC001147426594 932495797 /nfs/dbraw/zinc/49/57/97/932495797.db2.gz VSZPVOABPILTSU-UHFFFAOYSA-N -1 3 288.288 1.449 20 30 CDEDHM Cc1c(Cl)ncnc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171360892 932860298 /nfs/dbraw/zinc/86/02/98/932860298.db2.gz 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C#CCCc1noc(Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC001609020776 1164727551 /nfs/dbraw/zinc/72/75/51/1164727551.db2.gz HXMLJXWZAWZCOI-UHFFFAOYSA-N -1 3 280.291 1.406 20 30 CDEDHM C(CC[C@H]1CCO1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001609022390 1164727561 /nfs/dbraw/zinc/72/75/61/1164727561.db2.gz NYPVXEMWCQFQAW-ZDUSSCGKSA-N -1 3 286.339 1.511 20 30 CDEDHM C(CC[C@H]1CCO1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001609022390 1164727568 /nfs/dbraw/zinc/72/75/68/1164727568.db2.gz NYPVXEMWCQFQAW-ZDUSSCGKSA-N -1 3 286.339 1.511 20 30 CDEDHM C=C(C)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001609051681 1164744611 /nfs/dbraw/zinc/74/46/11/1164744611.db2.gz OBUVXMYSRQIECA-UHFFFAOYSA-N -1 3 288.311 1.573 20 30 CDEDHM C=C(C)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001609051681 1164744617 /nfs/dbraw/zinc/74/46/17/1164744617.db2.gz OBUVXMYSRQIECA-UHFFFAOYSA-N -1 3 288.311 1.573 20 30 CDEDHM C=C(CC)CNC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609051848 1164745394 /nfs/dbraw/zinc/74/53/94/1164745394.db2.gz XWTIRHMAHIMRNU-UHFFFAOYSA-N -1 3 263.326 1.624 20 30 CDEDHM C[C@@H]1C[C@@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609159656 1164804887 /nfs/dbraw/zinc/80/48/87/1164804887.db2.gz RFPAVTKMXGXOGP-PSASIEDQSA-N -1 3 254.297 1.806 20 30 CDEDHM C[C@@H]1C[C@@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609159656 1164804894 /nfs/dbraw/zinc/80/48/94/1164804894.db2.gz RFPAVTKMXGXOGP-PSASIEDQSA-N -1 3 254.297 1.806 20 30 CDEDHM CCn1cc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001609257515 1164867416 /nfs/dbraw/zinc/86/74/16/1164867416.db2.gz AMLUPLVVACHXSK-VOTSOKGWSA-N -1 3 294.318 1.979 20 30 CDEDHM CCn1cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001609257515 1164867422 /nfs/dbraw/zinc/86/74/22/1164867422.db2.gz AMLUPLVVACHXSK-VOTSOKGWSA-N -1 3 294.318 1.979 20 30 CDEDHM Cc1[nH]nc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC001609444753 1164949874 /nfs/dbraw/zinc/94/98/74/1164949874.db2.gz REMHUBRKRGZJFK-UHFFFAOYSA-N -1 3 294.278 1.022 20 30 CDEDHM Cc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001609444753 1164949883 /nfs/dbraw/zinc/94/98/83/1164949883.db2.gz REMHUBRKRGZJFK-UHFFFAOYSA-N -1 3 294.278 1.022 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1ccccn1 ZINC001609499752 1164978196 /nfs/dbraw/zinc/97/81/96/1164978196.db2.gz ICDXNUIGHBYGFE-UHFFFAOYSA-N -1 3 291.318 1.788 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1ccccn1 ZINC001609499752 1164978202 /nfs/dbraw/zinc/97/82/02/1164978202.db2.gz ICDXNUIGHBYGFE-UHFFFAOYSA-N -1 3 291.318 1.788 20 30 CDEDHM C#C[C@H](CC)NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588326090 1173026793 /nfs/dbraw/zinc/02/67/93/1173026793.db2.gz DMVCOZKQDLEUIS-CYBMUJFWSA-N -1 3 296.334 1.304 20 30 CDEDHM C#C[C@H](CC)NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588326090 1173026801 /nfs/dbraw/zinc/02/68/01/1173026801.db2.gz DMVCOZKQDLEUIS-CYBMUJFWSA-N -1 3 296.334 1.304 20 30 CDEDHM C#C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588330033 1173030047 /nfs/dbraw/zinc/03/00/47/1173030047.db2.gz TVZZHCMYLFINAI-CYBMUJFWSA-N -1 3 297.362 1.573 20 30 CDEDHM C#C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588330033 1173030052 /nfs/dbraw/zinc/03/00/52/1173030052.db2.gz TVZZHCMYLFINAI-CYBMUJFWSA-N -1 3 297.362 1.573 20 30 CDEDHM C#C[C@H]1CCCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001588332118 1173032865 /nfs/dbraw/zinc/03/28/65/1173032865.db2.gz GNYOYAICMUFHSN-VIFPVBQESA-N -1 3 274.353 1.168 20 30 CDEDHM C#C[C@H]1CCCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001588332118 1173032871 /nfs/dbraw/zinc/03/28/71/1173032871.db2.gz GNYOYAICMUFHSN-VIFPVBQESA-N -1 3 274.353 1.168 20 30 CDEDHM C#CCC(C)(C)C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588330598 1173035264 /nfs/dbraw/zinc/03/52/64/1173035264.db2.gz HDWLSJCOWYZJAI-UHFFFAOYSA-N -1 3 297.362 1.841 20 30 CDEDHM C#CCC(C)(C)C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588330598 1173035269 /nfs/dbraw/zinc/03/52/69/1173035269.db2.gz HDWLSJCOWYZJAI-UHFFFAOYSA-N -1 3 297.362 1.841 20 30 CDEDHM C#CCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588344515 1173045268 /nfs/dbraw/zinc/04/52/68/1173045268.db2.gz UAQDQYYDLBTYPN-UHFFFAOYSA-N -1 3 284.323 1.702 20 30 CDEDHM C#CCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588344515 1173045273 /nfs/dbraw/zinc/04/52/73/1173045273.db2.gz UAQDQYYDLBTYPN-UHFFFAOYSA-N -1 3 284.323 1.702 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)n1C)C(C)(C)C ZINC001588349011 1173048116 /nfs/dbraw/zinc/04/81/16/1173048116.db2.gz YJXKRSAAIDDVBT-UHFFFAOYSA-N -1 3 286.339 1.079 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)n1C)C(C)(C)C ZINC001588349011 1173048123 /nfs/dbraw/zinc/04/81/23/1173048123.db2.gz YJXKRSAAIDDVBT-UHFFFAOYSA-N -1 3 286.339 1.079 20 30 CDEDHM C(=NN[C@H]1CCCSC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588381902 1173058031 /nfs/dbraw/zinc/05/80/31/1173058031.db2.gz WEKWQZVLRYARGA-LBPRGKRZSA-N -1 3 288.380 1.686 20 30 CDEDHM C(=NN[C@H]1CCCSC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588381902 1173058039 /nfs/dbraw/zinc/05/80/39/1173058039.db2.gz WEKWQZVLRYARGA-LBPRGKRZSA-N -1 3 288.380 1.686 20 30 CDEDHM C=CCC[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588583540 1173086460 /nfs/dbraw/zinc/08/64/60/1173086460.db2.gz YEOZHWWGMWWKCD-NSHDSACASA-N -1 3 286.339 1.766 20 30 CDEDHM C=CCC[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588583540 1173086466 /nfs/dbraw/zinc/08/64/66/1173086466.db2.gz YEOZHWWGMWWKCD-NSHDSACASA-N -1 3 286.339 1.766 20 30 CDEDHM C=CCNC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588658920 1173096152 /nfs/dbraw/zinc/09/61/52/1173096152.db2.gz FJIGQMBXLQBZAF-UHFFFAOYSA-N -1 3 269.308 1.201 20 30 CDEDHM C=CCNC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588658920 1173096155 /nfs/dbraw/zinc/09/61/55/1173096155.db2.gz FJIGQMBXLQBZAF-UHFFFAOYSA-N -1 3 269.308 1.201 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC001588718347 1173100516 /nfs/dbraw/zinc/10/05/16/1173100516.db2.gz JEPDXUWVNLPASS-YPMHNXCESA-N -1 3 299.334 1.421 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC001588718347 1173100517 /nfs/dbraw/zinc/10/05/17/1173100517.db2.gz JEPDXUWVNLPASS-YPMHNXCESA-N -1 3 299.334 1.421 20 30 CDEDHM CC(=NN[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001588776192 1173104314 /nfs/dbraw/zinc/10/43/14/1173104314.db2.gz CVQSYWPCLNFSAC-SNVBAGLBSA-N -1 3 290.302 1.108 20 30 CDEDHM CC(=NN[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001588776192 1173104318 /nfs/dbraw/zinc/10/43/18/1173104318.db2.gz CVQSYWPCLNFSAC-SNVBAGLBSA-N -1 3 290.302 1.108 20 30 CDEDHM C[C@H](C#N)CNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588934802 1173117178 /nfs/dbraw/zinc/11/71/78/1173117178.db2.gz VTTHYMDFMFXFIQ-JIMOISOXSA-N -1 3 296.334 1.246 20 30 CDEDHM C[C@H](C#N)CNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588934802 1173117180 /nfs/dbraw/zinc/11/71/80/1173117180.db2.gz VTTHYMDFMFXFIQ-JIMOISOXSA-N -1 3 296.334 1.246 20 30 CDEDHM C[C@H](CC#N)C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001589788479 1173181013 /nfs/dbraw/zinc/18/10/13/1173181013.db2.gz XBHVUKHRSCKUBO-SECBINFHSA-N -1 3 282.307 1.259 20 30 CDEDHM C[C@H](CC#N)C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001589788479 1173181018 /nfs/dbraw/zinc/18/10/18/1173181018.db2.gz XBHVUKHRSCKUBO-SECBINFHSA-N -1 3 282.307 1.259 20 30 CDEDHM CC1CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590285737 1173338232 /nfs/dbraw/zinc/33/82/32/1173338232.db2.gz USAKULRUCISGAU-ZDUSSCGKSA-N -1 3 296.334 1.027 20 30 CDEDHM CCC(C#N)(CC)C(=O)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001590367825 1173376305 /nfs/dbraw/zinc/37/63/05/1173376305.db2.gz ZKTCVMFOKXRPHW-UHFFFAOYSA-N -1 3 299.338 1.839 20 30 CDEDHM CCC(C#N)(CC)C(=O)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001590367825 1173376309 /nfs/dbraw/zinc/37/63/09/1173376309.db2.gz ZKTCVMFOKXRPHW-UHFFFAOYSA-N -1 3 299.338 1.839 20 30 CDEDHM CC[C@@H]([NH2+]CCCC#N)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469057 1173421257 /nfs/dbraw/zinc/42/12/57/1173421257.db2.gz XPRYAOOCIZWKLO-GFCCVEGCSA-N -1 3 286.339 1.917 20 30 CDEDHM COC1CC(CCNc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591348010 1173621003 /nfs/dbraw/zinc/62/10/03/1173621003.db2.gz IFUYGPWWDWGVCL-UHFFFAOYSA-N -1 3 298.350 1.965 20 30 CDEDHM COC1CC(CCNc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591348010 1173621004 /nfs/dbraw/zinc/62/10/04/1173621004.db2.gz IFUYGPWWDWGVCL-UHFFFAOYSA-N -1 3 298.350 1.965 20 30 CDEDHM Cc1c(NCCO[C@H](C)C#N)cccc1-c1nnn[n-]1 ZINC001591829493 1173713136 /nfs/dbraw/zinc/71/31/36/1173713136.db2.gz JJMNKFFRAMPCKK-SECBINFHSA-N -1 3 272.312 1.516 20 30 CDEDHM Cc1c(NCCO[C@H](C)C#N)cccc1-c1nn[n-]n1 ZINC001591829493 1173713139 /nfs/dbraw/zinc/71/31/39/1173713139.db2.gz JJMNKFFRAMPCKK-SECBINFHSA-N -1 3 272.312 1.516 20 30 CDEDHM Cc1cc(CN=Nc2ncc(F)cn2)ccc1-c1nnn[n-]1 ZINC001591958852 1173754704 /nfs/dbraw/zinc/75/47/04/1173754704.db2.gz PVLWWWVLQMFDPV-UHFFFAOYSA-N -1 3 298.285 1.550 20 30 CDEDHM Cc1cc(CN=Nc2ncc(F)cn2)ccc1-c1nn[n-]n1 ZINC001591958852 1173754710 /nfs/dbraw/zinc/75/47/10/1173754710.db2.gz PVLWWWVLQMFDPV-UHFFFAOYSA-N -1 3 298.285 1.550 20 30 CDEDHM Cc1cc(C=NNCCOC(C)C)ccc1-c1nnn[n-]1 ZINC001591958840 1173756296 /nfs/dbraw/zinc/75/62/96/1173756296.db2.gz ONBIMEHVWCXBIY-UHFFFAOYSA-N -1 3 288.355 1.524 20 30 CDEDHM Cc1cc(C=NNCCOC(C)C)ccc1-c1nn[n-]n1 ZINC001591958840 1173756308 /nfs/dbraw/zinc/75/63/08/1173756308.db2.gz ONBIMEHVWCXBIY-UHFFFAOYSA-N -1 3 288.355 1.524 20 30 CDEDHM Cc1noc(C)c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001592456129 1173894584 /nfs/dbraw/zinc/89/45/84/1173894584.db2.gz IQYQWOQRCWNRAG-UHFFFAOYSA-N -1 3 283.295 1.918 20 30 CDEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001592668886 1173960589 /nfs/dbraw/zinc/96/05/89/1173960589.db2.gz JAHNOYQUZJQSST-NSHDSACASA-N -1 3 286.270 1.038 20 30 CDEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001592668886 1173960593 /nfs/dbraw/zinc/96/05/93/1173960593.db2.gz JAHNOYQUZJQSST-NSHDSACASA-N -1 3 286.270 1.038 20 30 CDEDHM N#C[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001592672704 1173964508 /nfs/dbraw/zinc/96/45/08/1173964508.db2.gz MTWHYJACQQKPKP-SECBINFHSA-N -1 3 272.287 1.746 20 30 CDEDHM N#Cc1ccc(CNc2ncc(-c3nnn[n-]3)cc2F)nc1 ZINC001592694238 1173970903 /nfs/dbraw/zinc/97/09/03/1173970903.db2.gz PKYXHJMXQCAROO-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1ccc(CNc2ncc(-c3nn[n-]n3)cc2F)nc1 ZINC001592694238 1173970908 /nfs/dbraw/zinc/97/09/08/1173970908.db2.gz PKYXHJMXQCAROO-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCOCCF ZINC001592699892 1173973582 /nfs/dbraw/zinc/97/35/82/1173973582.db2.gz QXVIBGSCIZKKIB-UHFFFAOYSA-N -1 3 276.275 1.136 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCOCCF ZINC001592699892 1173973592 /nfs/dbraw/zinc/97/35/92/1173973592.db2.gz QXVIBGSCIZKKIB-UHFFFAOYSA-N -1 3 276.275 1.136 20 30 CDEDHM O=C(C=Cc1cn[nH]c1)c1ccccc1-c1nnn[n-]1 ZINC001592802293 1173991671 /nfs/dbraw/zinc/99/16/71/1173991671.db2.gz RWXSGTOTPHPLFF-AATRIKPKSA-N -1 3 266.264 1.486 20 30 CDEDHM O=C(C=Cc1cn[nH]c1)c1ccccc1-c1nn[n-]n1 ZINC001592802293 1173991676 /nfs/dbraw/zinc/99/16/76/1173991676.db2.gz RWXSGTOTPHPLFF-AATRIKPKSA-N -1 3 266.264 1.486 20 30 CDEDHM N#Cc1ccc(F)c(CN[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC001601102517 1174744602 /nfs/dbraw/zinc/74/46/02/1174744602.db2.gz FWVWBMUZOIMZCK-CQSZACIVSA-N -1 3 278.283 1.421 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001602688167 1175352516 /nfs/dbraw/zinc/35/25/16/1175352516.db2.gz HIDWKIXARNERRS-LBPRGKRZSA-N -1 3 299.334 1.164 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001602690617 1175353995 /nfs/dbraw/zinc/35/39/95/1175353995.db2.gz XSSFMEAIZQBXAR-ZDUSSCGKSA-N -1 3 272.312 1.035 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602690707 1175355392 /nfs/dbraw/zinc/35/53/92/1175355392.db2.gz YSJRKYRNPCYCPW-SNVBAGLBSA-N -1 3 269.308 1.269 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602690707 1175355403 /nfs/dbraw/zinc/35/54/03/1175355403.db2.gz YSJRKYRNPCYCPW-SNVBAGLBSA-N -1 3 269.308 1.269 20 30 CDEDHM C#CCN(C(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001602714084 1175371489 /nfs/dbraw/zinc/37/14/89/1175371489.db2.gz JDMHAWGHKAUTFJ-UHFFFAOYSA-N -1 3 298.350 1.420 20 30 CDEDHM C#CCN(C(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001602714084 1175371494 /nfs/dbraw/zinc/37/14/94/1175371494.db2.gz JDMHAWGHKAUTFJ-UHFFFAOYSA-N -1 3 298.350 1.420 20 30 CDEDHM C#Cc1ccc(Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001602741240 1175379980 /nfs/dbraw/zinc/37/99/80/1175379980.db2.gz AZZVLQVBXAYCKU-UHFFFAOYSA-N -1 3 262.276 1.987 20 30 CDEDHM C#Cc1ccc(Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001602741240 1175379984 /nfs/dbraw/zinc/37/99/84/1175379984.db2.gz AZZVLQVBXAYCKU-UHFFFAOYSA-N -1 3 262.276 1.987 20 30 CDEDHM C=CCCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001602840138 1175427575 /nfs/dbraw/zinc/42/75/75/1175427575.db2.gz PVQLAFIGCXTQOJ-UHFFFAOYSA-N -1 3 294.336 1.542 20 30 CDEDHM C=CCCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602840138 1175427580 /nfs/dbraw/zinc/42/75/80/1175427580.db2.gz PVQLAFIGCXTQOJ-UHFFFAOYSA-N -1 3 294.336 1.542 20 30 CDEDHM C=CCCn1cc(Cn2cc(C)c(-c3nnn[n-]3)c2)nn1 ZINC001602847563 1175432116 /nfs/dbraw/zinc/43/21/16/1175432116.db2.gz VBQAQDKXHDACLR-UHFFFAOYSA-N -1 3 284.327 1.193 20 30 CDEDHM C=CCCn1cc(Cn2cc(C)c(-c3nn[n-]n3)c2)nn1 ZINC001602847563 1175432120 /nfs/dbraw/zinc/43/21/20/1175432120.db2.gz VBQAQDKXHDACLR-UHFFFAOYSA-N -1 3 284.327 1.193 20 30 CDEDHM C=CCNC(=O)CN[C@@H](C)c1ccc(C(=O)[O-])cc1C ZINC001602901371 1175447508 /nfs/dbraw/zinc/44/75/08/1175447508.db2.gz GPMKCTWWYYANHI-NSHDSACASA-N -1 3 276.336 1.646 20 30 CDEDHM CC(N=Nc1cnccn1)c1cccc(-c2nnn[n-]2)c1 ZINC001602908106 1175449299 /nfs/dbraw/zinc/44/92/99/1175449299.db2.gz KDMZBHQKNWCOHI-UHFFFAOYSA-N -1 3 280.295 1.493 20 30 CDEDHM CC(N=Nc1cnccn1)c1cccc(-c2nn[n-]n2)c1 ZINC001602908106 1175449301 /nfs/dbraw/zinc/44/93/01/1175449301.db2.gz KDMZBHQKNWCOHI-UHFFFAOYSA-N -1 3 280.295 1.493 20 30 CDEDHM C=CCOC[C@@H](NCc1cnc(F)c(C)c1)C(=O)[O-] ZINC001602914821 1175450616 /nfs/dbraw/zinc/45/06/16/1175450616.db2.gz FRBFZHQDJQJYOF-LLVKDONJSA-N -1 3 268.288 1.275 20 30 CDEDHM C[C@H](Nc1ccnc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603685261 1175598080 /nfs/dbraw/zinc/59/80/80/1175598080.db2.gz CTYPSWHNLSNWBR-JTQLQIEISA-N -1 3 291.318 1.728 20 30 CDEDHM C[C@H](Nc1ccnc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603685261 1175598084 /nfs/dbraw/zinc/59/80/84/1175598084.db2.gz CTYPSWHNLSNWBR-JTQLQIEISA-N -1 3 291.318 1.728 20 30 CDEDHM N#CCC1(CNC(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC001606345948 1163871458 /nfs/dbraw/zinc/87/14/58/1163871458.db2.gz KLPYSVIEIRMEMX-UHFFFAOYSA-N -1 3 288.336 1.352 20 30 CDEDHM CON=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609332265 1164904044 /nfs/dbraw/zinc/90/40/44/1164904044.db2.gz DGTBQGYQTSLGRM-UHFFFAOYSA-N -1 3 257.297 1.944 20 30 CDEDHM CON=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609332265 1164904048 /nfs/dbraw/zinc/90/40/48/1164904048.db2.gz DGTBQGYQTSLGRM-UHFFFAOYSA-N -1 3 257.297 1.944 20 30 CDEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCS(=O)(=O)C1 ZINC001233525534 912854230 /nfs/dbraw/zinc/85/42/30/912854230.db2.gz VQIACPURHKTSJP-SNVBAGLBSA-N -1 3 279.317 1.349 20 30 CDEDHM C=C[C@@H](COC)[N-]S(=O)(=O)c1cccnc1Cl ZINC001342726462 901157775 /nfs/dbraw/zinc/15/77/75/901157775.db2.gz DZJSMOCABOUISR-QMMMGPOBSA-N -1 3 276.745 1.214 20 30 CDEDHM C#Cc1ccc(C(=O)Nc2cnc(C(=O)OCC)[n-]2)cc1 ZINC001188722367 921169676 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576073856 /nfs/dbraw/zinc/07/38/56/576073856.db2.gz BYXLMUFFHIAQCP-UHFFFAOYSA-N -1 3 273.336 1.545 20 30 CDEDHM C#Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cn1 ZINC000738553215 576087797 /nfs/dbraw/zinc/08/77/97/576087797.db2.gz ZVWNSUPYCVFRHM-UHFFFAOYSA-N -1 3 270.263 1.838 20 30 CDEDHM O=C1CN(N=CCc2ccc(F)cc2Cl)C(=O)[N-]1 ZINC000766432572 576101705 /nfs/dbraw/zinc/10/17/05/576101705.db2.gz UMURNQVOIISAHD-UHFFFAOYSA-N -1 3 269.663 1.559 20 30 CDEDHM N#CC(C(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nc2ccccc2[nH]1 ZINC000739074692 576157653 /nfs/dbraw/zinc/15/76/53/576157653.db2.gz LDEVGHGFEZUFGU-IWSPIJDZSA-N -1 3 269.260 1.460 20 30 CDEDHM N#CC1CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768445704 576283926 /nfs/dbraw/zinc/28/39/26/576283926.db2.gz TUDHTJBBBKEZQO-CQSZACIVSA-N -1 3 274.320 1.554 20 30 CDEDHM CC#CCCOC(=O)c1cc(-c2c(C)nn(C)c2C)[n-]n1 ZINC000760284198 576472661 /nfs/dbraw/zinc/47/26/61/576472661.db2.gz XPNZJCXXAVXOBU-UHFFFAOYSA-N -1 3 286.335 1.997 20 30 CDEDHM COc1cccc([O-])c1/C=N/C[C@H](O)c1cccn1C ZINC000741466013 576560310 /nfs/dbraw/zinc/56/03/10/576560310.db2.gz BAUTVNMVRSFQPY-FSEGOYHTSA-N -1 3 274.320 1.892 20 30 CDEDHM C=CCCC(=O)COC(=O)c1ccc([O-])cc1O ZINC000761365088 576572458 /nfs/dbraw/zinc/57/24/58/576572458.db2.gz HABNIWMOFJKZJC-UHFFFAOYSA-N -1 3 250.250 1.790 20 30 CDEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1nnnn1C1CC1 ZINC000743044254 576625096 /nfs/dbraw/zinc/62/50/96/576625096.db2.gz HUSOZFUDSZLOGG-MKMNVTDBSA-N -1 3 277.715 1.986 20 30 CDEDHM O=C1CN(N=Cc2cc3ccccc3nc2Cl)C(=O)[N-]1 ZINC000744810478 576699008 /nfs/dbraw/zinc/69/90/08/576699008.db2.gz QKDYFFJLFNZZKX-UHFFFAOYSA-N -1 3 288.694 1.774 20 30 CDEDHM COc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c([O-])c1 ZINC000753941153 576867974 /nfs/dbraw/zinc/86/79/74/576867974.db2.gz XSOKEEIXXKRZLC-BETUJISGSA-N -1 3 288.351 1.595 20 30 CDEDHM C=CCNC(=S)NN=C1C(=O)[N-]c2c1cccc2F ZINC000753955030 576869242 /nfs/dbraw/zinc/86/92/42/576869242.db2.gz JSPYAVIRNMDHIT-UHFFFAOYSA-N -1 3 278.312 1.132 20 30 CDEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000755429941 576944404 /nfs/dbraw/zinc/94/44/04/576944404.db2.gz MKGKEEIHRGLHRN-YFKPBYRVSA-N -1 3 290.757 1.240 20 30 CDEDHM C[C@@H](COC(=O)c1ccc(C#N)[n-]1)NC(=O)OC(C)(C)C ZINC000752515176 577110923 /nfs/dbraw/zinc/11/09/23/577110923.db2.gz YAUGMHXZDJQQQI-VIFPVBQESA-N -1 3 293.323 1.956 20 30 CDEDHM CS(=O)(=O)[N-]N=C1CCc2c1cc(F)cc2F ZINC000752735102 577121999 /nfs/dbraw/zinc/12/19/99/577121999.db2.gz RHHHZXQHHKHGKA-UHFFFAOYSA-N -1 3 260.265 1.164 20 30 CDEDHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(C#N)s3)nc2n1 ZINC000759133388 577154542 /nfs/dbraw/zinc/15/45/42/577154542.db2.gz CWIDXNIJJOVCPG-UHFFFAOYSA-N -1 3 299.319 1.322 20 30 CDEDHM C=CCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819751644 607292046 /nfs/dbraw/zinc/29/20/46/607292046.db2.gz YNLPVLKSTWWLGF-UHFFFAOYSA-N -1 3 258.285 1.483 20 30 CDEDHM C=CCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819751644 607292047 /nfs/dbraw/zinc/29/20/47/607292047.db2.gz YNLPVLKSTWWLGF-UHFFFAOYSA-N -1 3 258.285 1.483 20 30 CDEDHM COc1ccc(C=NN[C@H](C)CC#N)cc1-c1nnn[n-]1 ZINC000821787480 607374775 /nfs/dbraw/zinc/37/47/75/607374775.db2.gz UOIMREMDYSZDDT-SECBINFHSA-N -1 3 285.311 1.101 20 30 CDEDHM COc1ccc(C=NN[C@H](C)CC#N)cc1-c1nn[n-]n1 ZINC000821787480 607374778 /nfs/dbraw/zinc/37/47/78/607374778.db2.gz UOIMREMDYSZDDT-SECBINFHSA-N -1 3 285.311 1.101 20 30 CDEDHM C[C@@H](C(=O)[O-])N1CCN(c2ccccc2C#N)CC1 ZINC000051659166 599752922 /nfs/dbraw/zinc/75/29/22/599752922.db2.gz UHSOAYQBNGHFGG-NSHDSACASA-N -1 3 259.309 1.153 20 30 CDEDHM N#Cc1cc(CSc2ccc(-c3nnn[n-]3)cn2)ccn1 ZINC000826383794 607544531 /nfs/dbraw/zinc/54/45/31/607544531.db2.gz QJZMBUKHEXMBEH-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM N#Cc1cc(CSc2ccc(-c3nn[n-]n3)cn2)ccn1 ZINC000826383794 607544533 /nfs/dbraw/zinc/54/45/33/607544533.db2.gz QJZMBUKHEXMBEH-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001602689839 1175354381 /nfs/dbraw/zinc/35/43/81/1175354381.db2.gz MKWVSTULEDZBQZ-JTQLQIEISA-N -1 3 269.308 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606301519 /nfs/dbraw/zinc/30/15/19/606301519.db2.gz RCKHOIGGRLPULO-VXNVDRBHSA-N -1 3 288.336 1.350 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000822806684 606301517 /nfs/dbraw/zinc/30/15/17/606301517.db2.gz RCKHOIGGRLPULO-VXNVDRBHSA-N -1 3 288.336 1.350 20 30 CDEDHM CC[C@H](C#N)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820843046 606614178 /nfs/dbraw/zinc/61/41/78/606614178.db2.gz STHMTFVMQGCMIZ-SNVBAGLBSA-N -1 3 287.279 1.091 20 30 CDEDHM C=C(C)COCCNc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000819723112 606790954 /nfs/dbraw/zinc/79/09/54/606790954.db2.gz ZGQIMHAKGZECND-UHFFFAOYSA-N -1 3 289.343 1.278 20 30 CDEDHM C=C(C)COCCNc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000819723112 606790956 /nfs/dbraw/zinc/79/09/56/606790956.db2.gz ZGQIMHAKGZECND-UHFFFAOYSA-N -1 3 289.343 1.278 20 30 CDEDHM C=C[C@H](C)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819729678 606813704 /nfs/dbraw/zinc/81/37/04/606813704.db2.gz KMCBOQJQFOIFBO-VIFPVBQESA-N -1 3 257.297 1.100 20 30 CDEDHM C=C[C@H](C)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819729678 606813706 /nfs/dbraw/zinc/81/37/06/606813706.db2.gz KMCBOQJQFOIFBO-VIFPVBQESA-N -1 3 257.297 1.100 20 30 CDEDHM CO[C@@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821673947 606835673 /nfs/dbraw/zinc/83/56/73/606835673.db2.gz PDTZWLKTDJAXFV-VIFPVBQESA-N -1 3 260.301 1.689 20 30 CDEDHM CO[C@@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821673947 606835675 /nfs/dbraw/zinc/83/56/75/606835675.db2.gz PDTZWLKTDJAXFV-VIFPVBQESA-N -1 3 260.301 1.689 20 30 CDEDHM C#CCCCNc1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC000819693415 606939497 /nfs/dbraw/zinc/93/94/97/606939497.db2.gz ROHKHBYYPFUUGR-UHFFFAOYSA-N -1 3 285.355 1.607 20 30 CDEDHM C#CCCCNc1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC000819693415 606939498 /nfs/dbraw/zinc/93/94/98/606939498.db2.gz ROHKHBYYPFUUGR-UHFFFAOYSA-N -1 3 285.355 1.607 20 30 CDEDHM C[C@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824860569 608289591 /nfs/dbraw/zinc/28/95/91/608289591.db2.gz VYLFHZANBMVBQG-JTQLQIEISA-N -1 3 286.339 1.511 20 30 CDEDHM 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C[C@H](CC#N)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589788367 1173181221 /nfs/dbraw/zinc/18/12/21/1173181221.db2.gz XKHIHROXUMVXDR-SSDOTTSWSA-N -1 3 290.714 1.552 20 30 CDEDHM CC1(C)CCCN(Cc2cncc(-c3nnn[n-]3)c2)[C@H]1C#N ZINC001590097520 1173258136 /nfs/dbraw/zinc/25/81/36/1173258136.db2.gz SDMVNKHQKMRUAI-ZDUSSCGKSA-N -1 3 297.366 1.776 20 30 CDEDHM CC1(C)CCCN(Cc2cncc(-c3nn[n-]n3)c2)[C@H]1C#N ZINC001590097520 1173258140 /nfs/dbraw/zinc/25/81/40/1173258140.db2.gz SDMVNKHQKMRUAI-ZDUSSCGKSA-N -1 3 297.366 1.776 20 30 CDEDHM C[C@@H]1COCC[C@@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590324076 1173354417 /nfs/dbraw/zinc/35/44/17/1173354417.db2.gz MZORLMACENPQDZ-SKDRFNHKSA-N -1 3 284.323 1.575 20 30 CDEDHM C[C@@H]1COCC[C@@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590324076 1173354424 /nfs/dbraw/zinc/35/44/24/1173354424.db2.gz MZORLMACENPQDZ-SKDRFNHKSA-N -1 3 284.323 1.575 20 30 CDEDHM CCC(=NNCC(C)(C)O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359283 1173373581 /nfs/dbraw/zinc/37/35/81/1173373581.db2.gz 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/nfs/dbraw/zinc/58/44/01/1173584401.db2.gz RVZHVWXJPQGCOF-ONGXEEELSA-N -1 3 269.312 1.390 20 30 CDEDHM CN(c1ncccc1-c1nn[n-]n1)[C@H]1CCC[C@H]1C#N ZINC001591160919 1173584405 /nfs/dbraw/zinc/58/44/05/1173584405.db2.gz RVZHVWXJPQGCOF-ONGXEEELSA-N -1 3 269.312 1.390 20 30 CDEDHM COCC(C)(C)CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001591367908 1173631669 /nfs/dbraw/zinc/63/16/69/1173631669.db2.gz DYRKAJOQEGDSRY-UHFFFAOYSA-N -1 3 274.328 1.937 20 30 CDEDHM COCC(C)(C)CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001591367908 1173631672 /nfs/dbraw/zinc/63/16/72/1173631672.db2.gz DYRKAJOQEGDSRY-UHFFFAOYSA-N -1 3 274.328 1.937 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1N1CCO[C@](C)(C#N)C1 ZINC001591868695 1173731768 /nfs/dbraw/zinc/73/17/68/1173731768.db2.gz LEFYBLFCWCXOJW-CQSZACIVSA-N -1 3 284.323 1.294 20 30 CDEDHM N#CCCCNC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001592676436 1173966116 /nfs/dbraw/zinc/96/61/16/1173966116.db2.gz OMTZJVZUHCHHME-UHFFFAOYSA-N -1 3 296.334 1.318 20 30 CDEDHM N#CCCCNC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001592676436 1173966122 /nfs/dbraw/zinc/96/61/22/1173966122.db2.gz OMTZJVZUHCHHME-UHFFFAOYSA-N -1 3 296.334 1.318 20 30 CDEDHM N#CC[C@@H](NCc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001592674209 1173966937 /nfs/dbraw/zinc/96/69/37/1173966937.db2.gz APHXXGKHVRRDMC-SNVBAGLBSA-N -1 3 296.256 1.801 20 30 CDEDHM N#CC[C@@H](NCc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001592674209 1173966942 /nfs/dbraw/zinc/96/69/42/1173966942.db2.gz APHXXGKHVRRDMC-SNVBAGLBSA-N -1 3 296.256 1.801 20 30 CDEDHM N#Cc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1 ZINC001592697013 1173973749 /nfs/dbraw/zinc/97/37/49/1173973749.db2.gz ZYKMDLLNHPYZRS-UHFFFAOYSA-N -1 3 264.248 1.926 20 30 CDEDHM N#Cc1nccc(Oc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC001592709614 1173980809 /nfs/dbraw/zinc/98/08/09/1173980809.db2.gz JNHVIPFDIIZABF-UHFFFAOYSA-N -1 3 299.681 1.974 20 30 CDEDHM N#Cc1nccc(Oc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001592709614 1173980818 /nfs/dbraw/zinc/98/08/18/1173980818.db2.gz JNHVIPFDIIZABF-UHFFFAOYSA-N -1 3 299.681 1.974 20 30 CDEDHM N#Cc1ncn(CCCc2cccc(F)c2)c1-c1nnn[n-]1 ZINC001592709936 1173981634 /nfs/dbraw/zinc/98/16/34/1173981634.db2.gz NKFAWZKYAYLJRD-UHFFFAOYSA-N -1 3 297.297 1.707 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001602689839 1175354376 /nfs/dbraw/zinc/35/43/76/1175354376.db2.gz MKWVSTULEDZBQZ-JTQLQIEISA-N -1 3 269.308 1.317 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602689397 1175354781 /nfs/dbraw/zinc/35/47/81/1175354781.db2.gz FPRDEBKCRJQNGC-AWEZNQCLSA-N -1 3 299.338 1.494 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602689397 1175354790 /nfs/dbraw/zinc/35/47/90/1175354790.db2.gz FPRDEBKCRJQNGC-AWEZNQCLSA-N -1 3 299.338 1.494 20 30 CDEDHM C#C[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001602697437 1175362940 /nfs/dbraw/zinc/36/29/40/1175362940.db2.gz WCYZDIQUVIDDOK-JTQLQIEISA-N -1 3 254.297 1.111 20 30 CDEDHM C#C[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001602697437 1175362944 /nfs/dbraw/zinc/36/29/44/1175362944.db2.gz WCYZDIQUVIDDOK-JTQLQIEISA-N -1 3 254.297 1.111 20 30 CDEDHM C=C[C@H](NC[C@@H](n1cccn1)C(F)(F)F)C(=O)[O-] ZINC001602819194 1175415671 /nfs/dbraw/zinc/41/56/71/1175415671.db2.gz PQZQDGGSUUSRAG-JGVFFNPUSA-N -1 3 263.219 1.215 20 30 CDEDHM CC(=NNCC(F)(F)F)c1cc(-c2nnn[n-]2)ccn1 ZINC001602906151 1175448212 /nfs/dbraw/zinc/44/82/12/1175448212.db2.gz GAKNQOWXFHEPPV-UHFFFAOYSA-N -1 3 285.233 1.138 20 30 CDEDHM CC(=NNCC(F)(F)F)c1cc(-c2nn[n-]n2)ccn1 ZINC001602906151 1175448213 /nfs/dbraw/zinc/44/82/13/1175448213.db2.gz GAKNQOWXFHEPPV-UHFFFAOYSA-N -1 3 285.233 1.138 20 30 CDEDHM CC(=NOC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001602912203 1175449428 /nfs/dbraw/zinc/44/94/28/1175449428.db2.gz NYOIRKBPOBJJCG-LLVKDONJSA-N -1 3 287.323 1.644 20 30 CDEDHM CC(=NOC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001602912203 1175449436 /nfs/dbraw/zinc/44/94/36/1175449436.db2.gz NYOIRKBPOBJJCG-LLVKDONJSA-N -1 3 287.323 1.644 20 30 CDEDHM C[C@@H](C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001602990128 1175473012 /nfs/dbraw/zinc/47/30/12/1175473012.db2.gz VLUKUQXMCZTALG-KPXOXKRLSA-N -1 3 283.291 1.425 20 30 CDEDHM C[C@@H](C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001602990128 1175473016 /nfs/dbraw/zinc/47/30/16/1175473016.db2.gz VLUKUQXMCZTALG-KPXOXKRLSA-N -1 3 283.291 1.425 20 30 CDEDHM CC(C)(C#N)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001603034509 1175480151 /nfs/dbraw/zinc/48/01/51/1175480151.db2.gz GBWXWTIQGCNTRP-UHFFFAOYSA-N -1 3 261.264 1.362 20 30 CDEDHM CC(C)(C#N)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001603034509 1175480154 /nfs/dbraw/zinc/48/01/54/1175480154.db2.gz GBWXWTIQGCNTRP-UHFFFAOYSA-N -1 3 261.264 1.362 20 30 CDEDHM C[C@@H](CC#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N ZINC001603442983 1175552864 /nfs/dbraw/zinc/55/28/64/1175552864.db2.gz OIUBTNAEWOPMHI-LURJTMIESA-N -1 3 289.274 1.076 20 30 CDEDHM C[C@@H](CC#N)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N ZINC001603442983 1175552869 /nfs/dbraw/zinc/55/28/69/1175552869.db2.gz OIUBTNAEWOPMHI-LURJTMIESA-N -1 3 289.274 1.076 20 30 CDEDHM C#CCCCCNS(=O)(=O)c1ccc([O-])cc1 ZINC000229721251 1175772082 /nfs/dbraw/zinc/77/20/82/1175772082.db2.gz FQYPQUNROOAWGY-UHFFFAOYSA-N -1 3 253.323 1.474 20 30 CDEDHM C=CC[C@H](C)NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001609052578 1164743441 /nfs/dbraw/zinc/74/34/41/1164743441.db2.gz IBTVVDQUXDTXKO-VIFPVBQESA-N -1 3 272.312 1.265 20 30 CDEDHM C=CC[C@H](C)NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001609052578 1164743445 /nfs/dbraw/zinc/74/34/45/1164743445.db2.gz IBTVVDQUXDTXKO-VIFPVBQESA-N -1 3 272.312 1.265 20 30 CDEDHM C=CC(C)(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609052337 1164744026 /nfs/dbraw/zinc/74/40/26/1164744026.db2.gz YFXZFQVNTXMHGZ-UHFFFAOYSA-N -1 3 289.314 1.834 20 30 CDEDHM C=CC(C)(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609052337 1164744032 /nfs/dbraw/zinc/74/40/32/1164744032.db2.gz YFXZFQVNTXMHGZ-UHFFFAOYSA-N -1 3 289.314 1.834 20 30 CDEDHM C=C[C@H](Nc1cc(-c2nnn[n-]2)ccc1OC)C(=O)OC ZINC001609052674 1164745184 /nfs/dbraw/zinc/74/51/84/1164745184.db2.gz MNMCOSJVOPJURN-VIFPVBQESA-N -1 3 289.295 1.015 20 30 CDEDHM C=C[C@H](Nc1cc(-c2nn[n-]n2)ccc1OC)C(=O)OC ZINC001609052674 1164745187 /nfs/dbraw/zinc/74/51/87/1164745187.db2.gz MNMCOSJVOPJURN-VIFPVBQESA-N -1 3 289.295 1.015 20 30 CDEDHM CCC(=NN(C)CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC001609180626 1164820838 /nfs/dbraw/zinc/82/08/38/1164820838.db2.gz IWKZBPVAIDHGSO-UHFFFAOYSA-N -1 3 288.355 1.559 20 30 CDEDHM CCC(=NN(C)CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC001609180626 1164820843 /nfs/dbraw/zinc/82/08/43/1164820843.db2.gz IWKZBPVAIDHGSO-UHFFFAOYSA-N -1 3 288.355 1.559 20 30 CDEDHM N#Cc1cnc(Nc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001175423515 913601872 /nfs/dbraw/zinc/60/18/72/913601872.db2.gz SXYVCOBJKBTYAO-UHFFFAOYSA-N -1 3 264.252 1.272 20 30 CDEDHM C#Cc1cccnc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175424925 913603918 /nfs/dbraw/zinc/60/39/18/913603918.db2.gz IZRINESIHVBYQH-UHFFFAOYSA-N -1 3 262.276 1.987 20 30 CDEDHM N#C[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000093456478 908190623 /nfs/dbraw/zinc/19/06/23/908190623.db2.gz GBUGCYDYZXVNPU-LLVKDONJSA-N -1 3 252.701 1.770 20 30 CDEDHM C=CCC1(S(=O)(=O)[N-]c2cnn(CC)c2)CC1 ZINC001190766116 922179770 /nfs/dbraw/zinc/17/97/70/922179770.db2.gz MMCCXPDVJJVIJV-UHFFFAOYSA-N -1 3 255.343 1.753 20 30 CDEDHM O=C(C#Cc1ccccn1)Nc1ccc(F)c([O-])c1 ZINC001177802528 914943666 /nfs/dbraw/zinc/94/36/66/914943666.db2.gz JXZPIWHIJPWAMW-UHFFFAOYSA-N -1 3 256.236 1.917 20 30 CDEDHM N#Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2O)ccc1[O-] ZINC001181091065 916820027 /nfs/dbraw/zinc/82/00/27/916820027.db2.gz SRVJBFGEAREHFW-YPMHNXCESA-N -1 3 260.293 1.753 20 30 CDEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H](C)c1ccc(C#N)cc1 ZINC001182800015 918134107 /nfs/dbraw/zinc/13/41/07/918134107.db2.gz PMOCDVFDCVLHJF-SNVBAGLBSA-N -1 3 298.346 1.758 20 30 CDEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2CCC2)c1 ZINC001190608624 922103129 /nfs/dbraw/zinc/10/31/29/922103129.db2.gz WQMFXVIHNIUYBC-UHFFFAOYSA-N -1 3 254.286 1.528 20 30 CDEDHM C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190660757 922106667 /nfs/dbraw/zinc/10/66/67/922106667.db2.gz AMSJQWDTERMJNM-LDYMZIIASA-N -1 3 284.312 1.153 20 30 CDEDHM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190668996 922110617 /nfs/dbraw/zinc/11/06/17/922110617.db2.gz DRLOXOZAXLUTAO-BXKDBHETSA-N -1 3 298.339 1.401 20 30 CDEDHM N#Cc1cc(NC(=O)c2cc(Cl)ncn2)ccc1[O-] ZINC001191454505 922593849 /nfs/dbraw/zinc/59/38/49/922593849.db2.gz XOUGBZFWRPDCAD-UHFFFAOYSA-N -1 3 274.667 1.960 20 30 CDEDHM N#CCS(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC001192988904 923369009 /nfs/dbraw/zinc/36/90/09/923369009.db2.gz SRSRZLHDZVOLQK-UHFFFAOYSA-N -1 3 254.286 1.968 20 30 CDEDHM COc1ccc(F)c(S(=O)(=O)[N-]C2CC(C#N)C2)c1 ZINC001196797226 924981677 /nfs/dbraw/zinc/98/16/77/924981677.db2.gz MDQMCOJAJJYYHK-UHFFFAOYSA-N -1 3 284.312 1.415 20 30 CDEDHM CC[C@@H](C#N)OC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000781195057 937215124 /nfs/dbraw/zinc/21/51/24/937215124.db2.gz RPPZGCBVQCEDQI-VIFPVBQESA-N -1 3 265.265 1.868 20 30 CDEDHM CSc1nc(C)c(C#N)c(NCc2ncccc2[O-])n1 ZINC001169734034 928400831 /nfs/dbraw/zinc/40/08/31/928400831.db2.gz ULRZCOWGCPZDGZ-UHFFFAOYSA-N -1 3 287.348 1.513 20 30 CDEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccn2cnnc12 ZINC001152394317 937359502 /nfs/dbraw/zinc/35/95/02/937359502.db2.gz WLAYQIHRWLGCEE-UHFFFAOYSA-N -1 3 296.290 1.168 20 30 CDEDHM N#C[C@H]1CCCN(C(=O)c2cccc3c2[N-]C(=O)C3=O)C1 ZINC001152453508 937363192 /nfs/dbraw/zinc/36/31/92/937363192.db2.gz ZRGSGWVSBGASDF-SECBINFHSA-N -1 3 283.287 1.197 20 30 CDEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc2cncnc2[nH]1 ZINC001152995762 937407686 /nfs/dbraw/zinc/40/76/86/937407686.db2.gz OXSAWFGLIUEYBB-UHFFFAOYSA-N -1 3 296.290 1.349 20 30 CDEDHM N#C[C@H]1CC[C@H](NC(=O)c2cnc3cccnc3c2[O-])CC1 ZINC001153860342 937477333 /nfs/dbraw/zinc/47/73/33/937477333.db2.gz MYAGDNVOJJJGGN-XYPYZODXSA-N -1 3 296.330 1.735 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncnc2ccsc21 ZINC001160173184 931243602 /nfs/dbraw/zinc/24/36/02/931243602.db2.gz AWIOUVUQFSPIDP-XPUUQOCRSA-N -1 3 264.310 1.339 20 30 CDEDHM 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N#CCCCC[C@@H](N)C(=O)NCc1ccoc1C(=O)[O-] ZINC001608180379 1167922589 /nfs/dbraw/zinc/92/25/89/1167922589.db2.gz MOVORXQQWFIAAI-SNVBAGLBSA-N -1 3 279.296 1.005 20 30 CDEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccccc1-c1c[nH]nn1 ZINC001575075144 1171104307 /nfs/dbraw/zinc/10/43/07/1171104307.db2.gz RSRQNVAKUDEBDN-JTQLQIEISA-N -1 3 272.308 1.637 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccnc(C#N)n1 ZINC001579887134 1172292043 /nfs/dbraw/zinc/29/20/43/1172292043.db2.gz IOXQXOGGJYVZKI-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccnc(C#N)n1 ZINC001579887134 1172292046 /nfs/dbraw/zinc/29/20/46/1172292046.db2.gz IOXQXOGGJYVZKI-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM N#Cc1cnc(CSc2ccncc2-c2nnn[n-]2)nc1 ZINC001581876805 1172625988 /nfs/dbraw/zinc/62/59/88/1172625988.db2.gz GYQIVARBZCAWNQ-UHFFFAOYSA-N -1 3 296.319 1.216 20 30 CDEDHM N#Cc1cnc(CSc2ccncc2-c2nn[n-]n2)nc1 ZINC001581876805 1172625993 /nfs/dbraw/zinc/62/59/93/1172625993.db2.gz GYQIVARBZCAWNQ-UHFFFAOYSA-N -1 3 296.319 1.216 20 30 CDEDHM N#Cc1ccnc(NC(=O)c2cscc2-c2nnn[n-]2)c1 ZINC001581877184 1172626407 /nfs/dbraw/zinc/62/64/07/1172626407.db2.gz VDINXCVXNMOZDX-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM N#Cc1ccnc(NC(=O)c2cscc2-c2nn[n-]n2)c1 ZINC001581877184 1172626409 /nfs/dbraw/zinc/62/64/09/1172626409.db2.gz VDINXCVXNMOZDX-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM C#CCC(C)(C)C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588330370 1173033176 /nfs/dbraw/zinc/03/31/76/1173033176.db2.gz ADPFSNFTEUFFPO-UHFFFAOYSA-N -1 3 284.323 1.274 20 30 CDEDHM C#CCC(C)(C)C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001588330370 1173033183 /nfs/dbraw/zinc/03/31/83/1173033183.db2.gz ADPFSNFTEUFFPO-UHFFFAOYSA-N -1 3 284.323 1.274 20 30 CDEDHM C#CCCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588345626 1173044838 /nfs/dbraw/zinc/04/48/38/1173044838.db2.gz NAGMDWLHPLQDDH-KTKRTIGZSA-N -1 3 282.303 1.837 20 30 CDEDHM C#CCCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588345626 1173044845 /nfs/dbraw/zinc/04/48/45/1173044845.db2.gz NAGMDWLHPLQDDH-KTKRTIGZSA-N -1 3 282.303 1.837 20 30 CDEDHM C#CCN(C(=O)c1cc(-c2nnn[n-]2)[nH]c1C)C1CCCC1 ZINC001588349043 1173046279 /nfs/dbraw/zinc/04/62/79/1173046279.db2.gz ZYXGXOBHWUYINJ-UHFFFAOYSA-N -1 3 298.350 1.521 20 30 CDEDHM C#CCN(C(=O)c1cc(-c2nn[n-]n2)[nH]c1C)C1CCCC1 ZINC001588349043 1173046290 /nfs/dbraw/zinc/04/62/90/1173046290.db2.gz ZYXGXOBHWUYINJ-UHFFFAOYSA-N -1 3 298.350 1.521 20 30 CDEDHM C#CCCOc1c(C(=O)CC)cccc1-c1nnn[n-]1 ZINC001588347511 1173046592 /nfs/dbraw/zinc/04/65/92/1173046592.db2.gz QXXHPPURJDRDBT-UHFFFAOYSA-N -1 3 270.292 1.862 20 30 CDEDHM C#CCCOc1c(C(=O)CC)cccc1-c1nn[n-]n1 ZINC001588347511 1173046598 /nfs/dbraw/zinc/04/65/98/1173046598.db2.gz QXXHPPURJDRDBT-UHFFFAOYSA-N -1 3 270.292 1.862 20 30 CDEDHM C#CCN(C(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588348500 1173048347 /nfs/dbraw/zinc/04/83/47/1173048347.db2.gz YWWYPDWXGRTLFT-UHFFFAOYSA-N -1 3 296.334 1.174 20 30 CDEDHM C#CCN(C(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588348500 1173048354 /nfs/dbraw/zinc/04/83/54/1173048354.db2.gz YWWYPDWXGRTLFT-UHFFFAOYSA-N -1 3 296.334 1.174 20 30 CDEDHM C(=NOCc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001588384359 1173057473 /nfs/dbraw/zinc/05/74/73/1173057473.db2.gz IVQWKPAUPWASCW-LBPRGKRZSA-N -1 3 273.296 1.548 20 30 CDEDHM C(=NOCc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001588384359 1173057478 /nfs/dbraw/zinc/05/74/78/1173057478.db2.gz IVQWKPAUPWASCW-LBPRGKRZSA-N -1 3 273.296 1.548 20 30 CDEDHM C=C(C)CNC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588430546 1173064475 /nfs/dbraw/zinc/06/44/75/1173064475.db2.gz RLYIWBBSJGEAKP-UHFFFAOYSA-N -1 3 290.302 1.381 20 30 CDEDHM C=C(C)CNC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588430546 1173064481 /nfs/dbraw/zinc/06/44/81/1173064481.db2.gz RLYIWBBSJGEAKP-UHFFFAOYSA-N -1 3 290.302 1.381 20 30 CDEDHM C=C1CN(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588462495 1173065132 /nfs/dbraw/zinc/06/51/32/1173065132.db2.gz JDTVLWIAIFCDDZ-UHFFFAOYSA-N -1 3 284.323 1.067 20 30 CDEDHM C=C1CN(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588462495 1173065139 /nfs/dbraw/zinc/06/51/39/1173065139.db2.gz JDTVLWIAIFCDDZ-UHFFFAOYSA-N -1 3 284.323 1.067 20 30 CDEDHM C=C1CN(c2ncc(-c3nnn[n-]3)c3ccsc32)C1 ZINC001588462467 1173067387 /nfs/dbraw/zinc/06/73/87/1173067387.db2.gz HZIYAYODAYANPA-UHFFFAOYSA-N -1 3 270.321 1.853 20 30 CDEDHM C=C1CN(c2ncc(-c3nn[n-]n3)c3ccsc32)C1 ZINC001588462467 1173067392 /nfs/dbraw/zinc/06/73/92/1173067392.db2.gz HZIYAYODAYANPA-UHFFFAOYSA-N -1 3 270.321 1.853 20 30 CDEDHM C=C[C@H](C)NC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001588515393 1173071218 /nfs/dbraw/zinc/07/12/18/1173071218.db2.gz BUEWVNBXGOCVAU-QMMMGPOBSA-N -1 3 293.277 1.649 20 30 CDEDHM C=C[C@H](C)NC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001588515393 1173071225 /nfs/dbraw/zinc/07/12/25/1173071225.db2.gz BUEWVNBXGOCVAU-QMMMGPOBSA-N -1 3 293.277 1.649 20 30 CDEDHM C=C[C@@H](C)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588516283 1173072896 /nfs/dbraw/zinc/07/28/96/1173072896.db2.gz UXMIWBYPTLIUTC-SNVBAGLBSA-N -1 3 283.335 1.589 20 30 CDEDHM C=C[C@@H](C)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588516283 1173072900 /nfs/dbraw/zinc/07/29/00/1173072900.db2.gz UXMIWBYPTLIUTC-SNVBAGLBSA-N -1 3 283.335 1.589 20 30 CDEDHM C=C[C@H]1CCCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588527365 1173074790 /nfs/dbraw/zinc/07/47/90/1173074790.db2.gz JASRQLKCGMJDQS-AWEZNQCLSA-N -1 3 297.362 1.976 20 30 CDEDHM C=C[C@H]1CCCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588527365 1173074798 /nfs/dbraw/zinc/07/47/98/1173074798.db2.gz JASRQLKCGMJDQS-AWEZNQCLSA-N -1 3 297.362 1.976 20 30 CDEDHM C=CCC1(C(=O)Nc2n[nH]c(C)c2-c2nnn[n-]2)CCC1 ZINC001588556489 1173079596 /nfs/dbraw/zinc/07/95/96/1173079596.db2.gz MIIIHGNBXSFXOU-UHFFFAOYSA-N -1 3 287.327 1.583 20 30 CDEDHM C=CCN(C(=O)c1sccc1-c1nnn[n-]1)C(C)C ZINC001588626126 1173091110 /nfs/dbraw/zinc/09/11/10/1173091110.db2.gz UEPMYDPATYLRAY-UHFFFAOYSA-N -1 3 277.353 1.965 20 30 CDEDHM C=CCN(C(=O)c1sccc1-c1nn[n-]n1)C(C)C ZINC001588626126 1173091113 /nfs/dbraw/zinc/09/11/13/1173091113.db2.gz UEPMYDPATYLRAY-UHFFFAOYSA-N -1 3 277.353 1.965 20 30 CDEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cn1)[C@]1(C)CCCO1 ZINC001588780664 1173104274 /nfs/dbraw/zinc/10/42/74/1173104274.db2.gz IQNFNXUYKJZLMJ-ZDUSSCGKSA-N -1 3 287.327 1.619 20 30 CDEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cn1)[C@]1(C)CCCO1 ZINC001588780664 1173104281 /nfs/dbraw/zinc/10/42/81/1173104281.db2.gz IQNFNXUYKJZLMJ-ZDUSSCGKSA-N -1 3 287.327 1.619 20 30 CDEDHM C[C@H](C#N)CN(Cc1cncc(-c2nnn[n-]2)c1)C1CC1 ZINC001588933895 1173114697 /nfs/dbraw/zinc/11/46/97/1173114697.db2.gz BDYPQUNWBSPXDW-SNVBAGLBSA-N -1 3 283.339 1.386 20 30 CDEDHM C[C@H](C#N)CN(Cc1cncc(-c2nn[n-]n2)c1)C1CC1 ZINC001588933895 1173114700 /nfs/dbraw/zinc/11/47/00/1173114700.db2.gz BDYPQUNWBSPXDW-SNVBAGLBSA-N -1 3 283.339 1.386 20 30 CDEDHM C[C@@H](CC#N)N[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001589788500 1173181244 /nfs/dbraw/zinc/18/12/44/1173181244.db2.gz ZRTNQHAYRHPPSV-UWVGGRQHSA-N -1 3 299.338 1.085 20 30 CDEDHM C[C@@H](CC#N)N[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001589788500 1173181247 /nfs/dbraw/zinc/18/12/47/1173181247.db2.gz ZRTNQHAYRHPPSV-UWVGGRQHSA-N -1 3 299.338 1.085 20 30 CDEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC#N ZINC001589894837 1173197280 /nfs/dbraw/zinc/19/72/80/1173197280.db2.gz NEJCIGDOZCJBAM-VIFPVBQESA-N -1 3 271.280 1.112 20 30 CDEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#N ZINC001589894837 1173197286 /nfs/dbraw/zinc/19/72/86/1173197286.db2.gz NEJCIGDOZCJBAM-VIFPVBQESA-N -1 3 271.280 1.112 20 30 CDEDHM C[C@@]1(C#N)CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590054467 1173239087 /nfs/dbraw/zinc/23/90/87/1173239087.db2.gz KMTIWXWFMRQSJN-HNNXBMFYSA-N -1 3 296.334 1.171 20 30 CDEDHM C[C@@]1(C#N)CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590054467 1173239093 /nfs/dbraw/zinc/23/90/93/1173239093.db2.gz KMTIWXWFMRQSJN-HNNXBMFYSA-N -1 3 296.334 1.171 20 30 CDEDHM CCN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)C#N ZINC001590669257 1173487531 /nfs/dbraw/zinc/48/75/31/1173487531.db2.gz PCKATNPSGBAJOP-JTQLQIEISA-N -1 3 284.323 1.170 20 30 CDEDHM CCN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)C#N ZINC001590669257 1173487536 /nfs/dbraw/zinc/48/75/36/1173487536.db2.gz PCKATNPSGBAJOP-JTQLQIEISA-N -1 3 284.323 1.170 20 30 CDEDHM CN(C(=O)CCCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001590981072 1173554727 /nfs/dbraw/zinc/55/47/27/1173554727.db2.gz BZHGZDFOACYOTA-UHFFFAOYSA-N -1 3 270.296 1.523 20 30 CDEDHM CN(C(=O)CCCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001590981072 1173554732 /nfs/dbraw/zinc/55/47/32/1173554732.db2.gz BZHGZDFOACYOTA-UHFFFAOYSA-N -1 3 270.296 1.523 20 30 CDEDHM CN(C(=O)c1coc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590998548 1173560204 /nfs/dbraw/zinc/56/02/04/1173560204.db2.gz OENJSPNBPFRAMO-UHFFFAOYSA-N -1 3 294.274 1.608 20 30 CDEDHM CN(C(=O)c1coc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590998548 1173560209 /nfs/dbraw/zinc/56/02/09/1173560209.db2.gz OENJSPNBPFRAMO-UHFFFAOYSA-N -1 3 294.274 1.608 20 30 CDEDHM Cc1cc(OCC2(C#N)CC2)ccc1-c1nn[n-]n1 ZINC001592059721 1173792222 /nfs/dbraw/zinc/79/22/22/1173792222.db2.gz SIRVMXOKISWTMV-UHFFFAOYSA-N -1 3 255.281 1.858 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@H](C#N)C1CC1 ZINC001592096177 1173799052 /nfs/dbraw/zinc/79/90/52/1173799052.db2.gz AAMFPIVBSJFHRM-GFCCVEGCSA-N -1 3 282.307 1.207 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@H](C#N)C1CC1 ZINC001592096177 1173799054 /nfs/dbraw/zinc/79/90/54/1173799054.db2.gz AAMFPIVBSJFHRM-GFCCVEGCSA-N -1 3 282.307 1.207 20 30 CDEDHM Cc1nnc(N(C)CC(C)(C)C#N)c(-c2nnn[n-]2)c1C ZINC001592444461 1173892078 /nfs/dbraw/zinc/89/20/78/1173892078.db2.gz XXEKYXOKJWYCPJ-UHFFFAOYSA-N -1 3 286.343 1.260 20 30 CDEDHM Cc1nnc(N(C)CC(C)(C)C#N)c(-c2nn[n-]n2)c1C ZINC001592444461 1173892088 /nfs/dbraw/zinc/89/20/88/1173892088.db2.gz XXEKYXOKJWYCPJ-UHFFFAOYSA-N -1 3 286.343 1.260 20 30 CDEDHM N#CC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCC1 ZINC001592670266 1173960862 /nfs/dbraw/zinc/96/08/62/1173960862.db2.gz WQCOTLHCMUCNSX-UHFFFAOYSA-N -1 3 299.294 1.881 20 30 CDEDHM N#CC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCC1 ZINC001592670266 1173960864 /nfs/dbraw/zinc/96/08/64/1173960864.db2.gz WQCOTLHCMUCNSX-UHFFFAOYSA-N -1 3 299.294 1.881 20 30 CDEDHM N#CC1(CC(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)CC1 ZINC001592667173 1173961183 /nfs/dbraw/zinc/96/11/83/1173961183.db2.gz QUBXLJMCBICJBR-UHFFFAOYSA-N -1 3 298.310 1.100 20 30 CDEDHM N#C[C@H]1CCCN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001592672969 1173964209 /nfs/dbraw/zinc/96/42/09/1173964209.db2.gz SCAPDHPQLPALDG-SNVBAGLBSA-N -1 3 286.314 1.741 20 30 CDEDHM N#C[C@H]1CCCN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001592672969 1173964212 /nfs/dbraw/zinc/96/42/12/1173964212.db2.gz SCAPDHPQLPALDG-SNVBAGLBSA-N -1 3 286.314 1.741 20 30 CDEDHM N#CCCCNC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001592676456 1173965872 /nfs/dbraw/zinc/96/58/72/1173965872.db2.gz PXTKNRCKIAJLHA-UHFFFAOYSA-N -1 3 297.322 1.196 20 30 CDEDHM N#CCCCNC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001592676456 1173965885 /nfs/dbraw/zinc/96/58/85/1173965885.db2.gz PXTKNRCKIAJLHA-UHFFFAOYSA-N -1 3 297.322 1.196 20 30 CDEDHM N#CCC1CCN(C(=O)c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001592674010 1173966416 /nfs/dbraw/zinc/96/64/16/1173966416.db2.gz WXCVJVMGEQHRKE-UHFFFAOYSA-N -1 3 297.322 1.028 20 30 CDEDHM N#CCC1CCN(C(=O)c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001592674010 1173966423 /nfs/dbraw/zinc/96/64/23/1173966423.db2.gz WXCVJVMGEQHRKE-UHFFFAOYSA-N -1 3 297.322 1.028 20 30 CDEDHM N#C[C@H]1C[C@H]1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001592681443 1173968983 /nfs/dbraw/zinc/96/89/83/1173968983.db2.gz VPWCIQHOZGXFDH-IYSWYEEDSA-N -1 3 260.282 1.026 20 30 CDEDHM N#C[C@H]1C[C@H]1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001592681443 1173968987 /nfs/dbraw/zinc/96/89/87/1173968987.db2.gz VPWCIQHOZGXFDH-IYSWYEEDSA-N -1 3 260.282 1.026 20 30 CDEDHM N#Cc1cc(Cl)cc(Cn2cc(-c3nnn[n-]3)cn2)c1 ZINC001592688359 1173972437 /nfs/dbraw/zinc/97/24/37/1173972437.db2.gz SYPYQGMPRWXCAO-UHFFFAOYSA-N -1 3 285.698 1.637 20 30 CDEDHM N#Cc1cc(Cl)cc(Cn2cc(-c3nn[n-]n3)cn2)c1 ZINC001592688359 1173972440 /nfs/dbraw/zinc/97/24/40/1173972440.db2.gz SYPYQGMPRWXCAO-UHFFFAOYSA-N -1 3 285.698 1.637 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccoc1 ZINC001592699747 1173974577 /nfs/dbraw/zinc/97/45/77/1173974577.db2.gz KRIUXGGAVBQWFR-UHFFFAOYSA-N -1 3 266.264 1.943 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccoc1 ZINC001592699747 1173974584 /nfs/dbraw/zinc/97/45/84/1173974584.db2.gz KRIUXGGAVBQWFR-UHFFFAOYSA-N -1 3 266.264 1.943 20 30 CDEDHM N#Cc1ncn(CC[C@@H]2C[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC001592710327 1173980776 /nfs/dbraw/zinc/98/07/76/1173980776.db2.gz VINGOUPRFAZMIC-ZJUUUORDSA-N -1 3 269.312 1.371 20 30 CDEDHM N#Cc1nccc(Sc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001592709568 1173981043 /nfs/dbraw/zinc/98/10/43/1173981043.db2.gz IOTPFAZZMWOQNP-UHFFFAOYSA-N -1 3 281.304 1.680 20 30 CDEDHM N#Cc1nccc(Sc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592709568 1173981051 /nfs/dbraw/zinc/98/10/51/1173981051.db2.gz IOTPFAZZMWOQNP-UHFFFAOYSA-N -1 3 281.304 1.680 20 30 CDEDHM N#CCC1(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001601062440 1174722002 /nfs/dbraw/zinc/72/20/02/1174722002.db2.gz 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ZINC001602716889 1175371832 /nfs/dbraw/zinc/37/18/32/1175371832.db2.gz SYRDXAMLEQLMGK-NSHDSACASA-N -1 3 283.335 1.137 20 30 CDEDHM C=C(C)CNc1nn(-c2ccc(-c3nnn[n-]3)cn2)cc1C ZINC001602762945 1175393082 /nfs/dbraw/zinc/39/30/82/1175393082.db2.gz PLXPOKIKTNWBKF-UHFFFAOYSA-N -1 3 296.338 1.744 20 30 CDEDHM C=C(C)CNc1nn(-c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC001602762945 1175393087 /nfs/dbraw/zinc/39/30/87/1175393087.db2.gz PLXPOKIKTNWBKF-UHFFFAOYSA-N -1 3 296.338 1.744 20 30 CDEDHM C=CCCC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602823618 1175418557 /nfs/dbraw/zinc/41/85/57/1175418557.db2.gz DMOVZZCZTYKCOS-UHFFFAOYSA-N -1 3 269.308 1.722 20 30 CDEDHM C=CCCC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602823618 1175418560 /nfs/dbraw/zinc/41/85/60/1175418560.db2.gz DMOVZZCZTYKCOS-UHFFFAOYSA-N -1 3 269.308 1.722 20 30 CDEDHM CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001603060269 1175484784 /nfs/dbraw/zinc/48/47/84/1175484784.db2.gz SNOOUWYEEROUND-LLVKDONJSA-N -1 3 285.307 1.962 20 30 CDEDHM CC(C)(C)[C@@H](C#N)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001603060269 1175484786 /nfs/dbraw/zinc/48/47/86/1175484786.db2.gz SNOOUWYEEROUND-LLVKDONJSA-N -1 3 285.307 1.962 20 30 CDEDHM CC1(C#N)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001603738493 1175613083 /nfs/dbraw/zinc/61/30/83/1175613083.db2.gz PXZVDRRQXDKMPE-UHFFFAOYSA-N -1 3 260.326 1.274 20 30 CDEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CC(C)(C#N)C2)n1 ZINC001603738869 1175614209 /nfs/dbraw/zinc/61/42/09/1175614209.db2.gz WIXBRDBYCVCTCG-UHFFFAOYSA-N -1 3 297.366 1.909 20 30 CDEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CC(C)(C#N)C2)n1 ZINC001603738869 1175614214 /nfs/dbraw/zinc/61/42/14/1175614214.db2.gz WIXBRDBYCVCTCG-UHFFFAOYSA-N -1 3 297.366 1.909 20 30 CDEDHM C=CC(C)(C)CC(=O)NCC[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001733905189 1183564395 /nfs/dbraw/zinc/56/43/95/1183564395.db2.gz ASBUPDMOJYAGGK-JTQLQIEISA-N -1 3 295.387 1.097 20 30 CDEDHM C[C@H](Cc1ccccc1F)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816758116 723264839 /nfs/dbraw/zinc/26/48/39/723264839.db2.gz IPFXJLCMGGOIHB-MFKMUULPSA-N -1 3 294.326 1.501 20 30 CDEDHM C[C@@H]1CC(NC(=O)Cc2ccc([O-])c(F)c2)=NO1 ZINC000827495971 723405116 /nfs/dbraw/zinc/40/51/16/723405116.db2.gz BOJKEMUURQAEOJ-SSDOTTSWSA-N -1 3 252.245 1.312 20 30 CDEDHM CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848136909 723497999 /nfs/dbraw/zinc/49/79/99/723497999.db2.gz UEPLCYYDKKAVOT-ZIAGYGMSSA-N -1 3 290.363 1.752 20 30 CDEDHM COC(=O)c1cc(C(=O)OC2(CC#N)CCC2)c[n-]1 ZINC000816076371 723547744 /nfs/dbraw/zinc/54/77/44/723547744.db2.gz IQMUZWRLBRRSLN-UHFFFAOYSA-N -1 3 262.265 1.794 20 30 CDEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000160867526 723160619 /nfs/dbraw/zinc/16/06/19/723160619.db2.gz BVWDKAJMJLMKOL-ZCFIWIBFSA-N -1 3 294.163 1.969 20 30 CDEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000134855493 723385280 /nfs/dbraw/zinc/38/52/80/723385280.db2.gz STHNLUHRAUJRGK-UHFFFAOYSA-N -1 3 276.701 1.626 20 30 CDEDHM CC1(C)CCC[C@H]1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848133974 723485074 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CC[C@H](CC#N)NC(=O)c1cscc1-c1nn[n-]n1 ZINC001609188015 1164828914 /nfs/dbraw/zinc/82/89/14/1164828914.db2.gz WOWMBABPZGEGJV-SSDOTTSWSA-N -1 3 276.325 1.350 20 30 CDEDHM C=CCC[C@@H](CO)N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001609324577 1164899956 /nfs/dbraw/zinc/89/99/56/1164899956.db2.gz FCYNQZYMDYUKRW-KOLCDFICSA-N -1 3 253.298 1.956 20 30 CDEDHM COc1ncccc1CC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001176255065 914023176 /nfs/dbraw/zinc/02/31/76/914023176.db2.gz CVWSKKHHIYVKPB-UHFFFAOYSA-N -1 3 283.287 1.849 20 30 CDEDHM CC#CCN1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001024406728 898051689 /nfs/dbraw/zinc/05/16/89/898051689.db2.gz DGEDWNSYFCSRFR-CYBMUJFWSA-N -1 3 287.363 1.395 20 30 CDEDHM N#Cc1cnccc1[N-]C(=O)c1nnc2ccccc2n1 ZINC001125887080 899673857 /nfs/dbraw/zinc/67/38/57/899673857.db2.gz PBTCNRPLFRVEET-UHFFFAOYSA-N -1 3 276.259 1.544 20 30 CDEDHM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1ccoc1 ZINC001188631062 921134434 /nfs/dbraw/zinc/13/44/34/921134434.db2.gz ZLXKGFSEDWPQJB-XQRVVYSFSA-N -1 3 283.227 1.593 20 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251.213 1.280 20 30 CDEDHM C=CCCCNC(=O)c1ccccc1-c1nnn[n-]1 ZINC001187009119 920289694 /nfs/dbraw/zinc/28/96/94/920289694.db2.gz VRNFCHQOXJJWAI-UHFFFAOYSA-N -1 3 257.297 1.563 20 30 CDEDHM C=CCCCNC(=O)c1ccccc1-c1nn[n-]n1 ZINC001187009119 920289708 /nfs/dbraw/zinc/28/97/08/920289708.db2.gz VRNFCHQOXJJWAI-UHFFFAOYSA-N -1 3 257.297 1.563 20 30 CDEDHM COCC#CC(=O)Nc1cc(Br)ccc1[O-] ZINC001187128539 920375155 /nfs/dbraw/zinc/37/51/55/920375155.db2.gz RQAWSBRECNPACP-UHFFFAOYSA-N -1 3 284.109 1.743 20 30 CDEDHM CCCCCCCCS(=O)(=O)[N-]C1=CCOC1=O ZINC001188027138 920798183 /nfs/dbraw/zinc/79/81/83/920798183.db2.gz BIMSCWBFMGKOOK-UHFFFAOYSA-N -1 3 275.370 1.707 20 30 CDEDHM N#Cc1nc[nH]c1NC(=O)c1ncc(C(F)(F)F)[n-]1 ZINC001188277539 920954144 /nfs/dbraw/zinc/95/41/44/920954144.db2.gz GQEUTEDHTLKJRM-UHFFFAOYSA-N -1 3 270.174 1.276 20 30 CDEDHM N#Cc1nc[nH]c1NC(=O)c1nc(C(F)(F)F)c[n-]1 ZINC001188277539 920954149 /nfs/dbraw/zinc/95/41/49/920954149.db2.gz GQEUTEDHTLKJRM-UHFFFAOYSA-N -1 3 270.174 1.276 20 30 CDEDHM C=C(C)C[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190663492 922108031 /nfs/dbraw/zinc/10/80/31/922108031.db2.gz XBYQQAHGISQYAW-UHFFFAOYSA-N -1 3 254.286 1.552 20 30 CDEDHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2F)O1 ZINC001190665014 922110432 /nfs/dbraw/zinc/11/04/32/922110432.db2.gz KJZBFHJFHBYTPE-SNVBAGLBSA-N -1 3 298.339 1.543 20 30 CDEDHM C#CCO[N-]C(=O)CCOc1cccc(Cl)c1 ZINC000700600056 922251322 /nfs/dbraw/zinc/25/13/22/922251322.db2.gz MUIJYLOYTQEONY-UHFFFAOYSA-N -1 3 253.685 1.790 20 30 CDEDHM N#CC1([N-]S(=O)(=O)CC2CCCC2)CCOCC1 ZINC001191555430 922652675 /nfs/dbraw/zinc/65/26/75/922652675.db2.gz PGFGUUPRHNGRKZ-UHFFFAOYSA-N -1 3 272.370 1.169 20 30 CDEDHM C=CCN1CC2(C1)CCN(C(=O)c1ncccc1[O-])CC2 ZINC001035691142 923031053 /nfs/dbraw/zinc/03/10/53/923031053.db2.gz KCSLVCINAMHIAT-UHFFFAOYSA-N -1 3 287.363 1.511 20 30 CDEDHM N#CC1(c2cccc(-n3[n-]c(=O)nc3CN)c2)CCOCC1 ZINC001168761293 923233218 /nfs/dbraw/zinc/23/32/18/923233218.db2.gz OYUUYHGWLXHLCC-UHFFFAOYSA-N -1 3 299.334 1.003 20 30 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C(=NNC[C@H]1CCSC1)c1csc(-c2nnn[n-]2)c1 ZINC001588381418 1173055884 /nfs/dbraw/zinc/05/58/84/1173055884.db2.gz BBDYLRJDZCCSMD-MRVPVSSYSA-N -1 3 294.409 1.605 20 30 CDEDHM C=C(C)CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001588430379 1173063695 /nfs/dbraw/zinc/06/36/95/1173063695.db2.gz OYTBADAVDUWDBB-UHFFFAOYSA-N -1 3 274.353 1.729 20 30 CDEDHM C=C(C)CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001588430379 1173063700 /nfs/dbraw/zinc/06/37/00/1173063700.db2.gz OYTBADAVDUWDBB-UHFFFAOYSA-N -1 3 274.353 1.729 20 30 CDEDHM C=C1CCC(CNc2nnccc2-c2nnn[n-]2)CC1 ZINC001588462949 1173067189 /nfs/dbraw/zinc/06/71/89/1173067189.db2.gz UYUOETORSKBXRH-UHFFFAOYSA-N -1 3 271.328 1.815 20 30 CDEDHM C=C1CCC(CNc2nnccc2-c2nn[n-]n2)CC1 ZINC001588462949 1173067196 /nfs/dbraw/zinc/06/71/96/1173067196.db2.gz UYUOETORSKBXRH-UHFFFAOYSA-N -1 3 271.328 1.815 20 30 CDEDHM C=CC[C@H](C)OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588539638 1173077077 /nfs/dbraw/zinc/07/70/77/1173077077.db2.gz SPCZXHWZISHGGP-JTQLQIEISA-N -1 3 272.308 1.917 20 30 CDEDHM C=CC[C@H](C)OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588539638 1173077080 /nfs/dbraw/zinc/07/70/80/1173077080.db2.gz SPCZXHWZISHGGP-JTQLQIEISA-N -1 3 272.308 1.917 20 30 CDEDHM C=CC[C@@H](Sc1ccncc1-c1nnn[n-]1)C(=O)OC ZINC001588547920 1173079417 /nfs/dbraw/zinc/07/94/17/1173079417.db2.gz AGJPCTQYDJTCLR-SNVBAGLBSA-N -1 3 291.336 1.472 20 30 CDEDHM C=CC[C@@H](Sc1ccncc1-c1nn[n-]n1)C(=O)OC ZINC001588547920 1173079427 /nfs/dbraw/zinc/07/94/27/1173079427.db2.gz AGJPCTQYDJTCLR-SNVBAGLBSA-N -1 3 291.336 1.472 20 30 CDEDHM C[C@H](C#N)OCCOc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588933825 1173114708 /nfs/dbraw/zinc/11/47/08/1173114708.db2.gz AKQYCQJUSCTTDG-MRVPVSSYSA-N -1 3 293.714 1.828 20 30 CDEDHM C[C@H](C#N)OCCOc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588933825 1173114711 /nfs/dbraw/zinc/11/47/11/1173114711.db2.gz AKQYCQJUSCTTDG-MRVPVSSYSA-N -1 3 293.714 1.828 20 30 CDEDHM C[C@H](C#N)CN(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588930719 1173114777 /nfs/dbraw/zinc/11/47/77/1173114777.db2.gz 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O=C(CCc1cccc(Cl)c1)N[C@H]1CCCN([O-])C1=O ZINC000848138155 725270529 /nfs/dbraw/zinc/27/05/29/725270529.db2.gz NPEPTSBIKVUDIJ-LBPRGKRZSA-N -1 3 296.754 1.769 20 30 CDEDHM N#CCN1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001024336591 725324313 /nfs/dbraw/zinc/32/43/13/725324313.db2.gz BHPJHIOXLYIQQJ-GFCCVEGCSA-N -1 3 273.336 1.500 20 30 CDEDHM COc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c(F)c1 ZINC000880317140 725330334 /nfs/dbraw/zinc/33/03/34/725330334.db2.gz LEUCZADKLSPOCN-NSHDSACASA-N -1 3 297.286 1.336 20 30 CDEDHM COc1ccc(F)cc1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000812226942 725408477 /nfs/dbraw/zinc/40/84/77/725408477.db2.gz MUACFOZDIXJSKA-UHFFFAOYSA-N -1 3 286.270 1.947 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)CCCC(=O)NO[C@H](C)C=C ZINC000846546032 725409713 /nfs/dbraw/zinc/40/97/13/725409713.db2.gz RUUDTYNDIAEDTQ-GHMZBOCLSA-N -1 3 270.329 1.401 20 30 CDEDHM Cc1ccc(-c2cc(C(=O)n3ncc(C#N)c3N)n[n-]2)o1 ZINC000174951233 725442528 /nfs/dbraw/zinc/44/25/28/725442528.db2.gz BGOFYWGVUNAYJX-UHFFFAOYSA-N -1 3 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C[C@H](NCc1nc(C#N)cs1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001604348393 1163161446 /nfs/dbraw/zinc/16/14/46/1163161446.db2.gz GBBMRRBEPVFECP-CNUIFLNQSA-N -1 3 251.311 1.214 20 30 CDEDHM CO[C@H](CC(C)C)Cn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001605006954 1163413810 /nfs/dbraw/zinc/41/38/10/1163413810.db2.gz JVWKMSCSTGLUET-SNVBAGLBSA-N -1 3 289.343 1.304 20 30 CDEDHM CO[C@H](CC(C)C)Cn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001605006954 1163413815 /nfs/dbraw/zinc/41/38/15/1163413815.db2.gz JVWKMSCSTGLUET-SNVBAGLBSA-N -1 3 289.343 1.304 20 30 CDEDHM COc1ccc(NC(=O)CC2(C#N)CC2)cc1-c1nnn[n-]1 ZINC001605292664 1163516481 /nfs/dbraw/zinc/51/64/81/1163516481.db2.gz BAJQQACZPIOYTK-UHFFFAOYSA-N -1 3 298.306 1.508 20 30 CDEDHM COc1ccc(NC(=O)CC2(C#N)CC2)cc1-c1nn[n-]n1 ZINC001605292664 1163516487 /nfs/dbraw/zinc/51/64/87/1163516487.db2.gz BAJQQACZPIOYTK-UHFFFAOYSA-N -1 3 298.306 1.508 20 30 CDEDHM Cc1c(C(=O)N[C@@H](C#N)C(C)(C)C)cccc1-c1nnn[n-]1 ZINC001605474015 1163576094 /nfs/dbraw/zinc/57/60/94/1163576094.db2.gz 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c1cnc(N=NCc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001609022325 1164729395 /nfs/dbraw/zinc/72/93/95/1164729395.db2.gz KSKMEMMFWPNIOV-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM c1cnc(N=NCc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001609022325 1164729411 /nfs/dbraw/zinc/72/94/11/1164729411.db2.gz KSKMEMMFWPNIOV-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM Cc1ccc(N=NC(C)c2ccccc2-c2nnn[n-]2)nn1 ZINC001609061338 1164755606 /nfs/dbraw/zinc/75/56/06/1164755606.db2.gz XOMCHQMQUPPWOI-UHFFFAOYSA-N -1 3 294.322 1.801 20 30 CDEDHM Cc1ccc(N=NC(C)c2ccccc2-c2nn[n-]n2)nn1 ZINC001609061338 1164755612 /nfs/dbraw/zinc/75/56/12/1164755612.db2.gz XOMCHQMQUPPWOI-UHFFFAOYSA-N -1 3 294.322 1.801 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)c1cscc1-c1nnn[n-]1 ZINC001609188016 1164819610 /nfs/dbraw/zinc/81/96/10/1164819610.db2.gz WOWMBABPZGEGJV-ZETCQYMHSA-N -1 3 276.325 1.350 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)c1cscc1-c1nn[n-]n1 ZINC001609188016 1164819614 /nfs/dbraw/zinc/81/96/14/1164819614.db2.gz WOWMBABPZGEGJV-ZETCQYMHSA-N -1 3 276.325 1.350 20 30 CDEDHM CC[C@]1(O)CCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001609198091 1164839768 /nfs/dbraw/zinc/83/97/68/1164839768.db2.gz JTBXPTSTAIXRHN-AWEZNQCLSA-N -1 3 284.323 1.090 20 30 CDEDHM CC[C@]1(O)CCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001609198091 1164839773 /nfs/dbraw/zinc/83/97/73/1164839773.db2.gz JTBXPTSTAIXRHN-AWEZNQCLSA-N -1 3 284.323 1.090 20 30 CDEDHM COc1ccc(C)cc1Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001609353304 1164909547 /nfs/dbraw/zinc/90/95/47/1164909547.db2.gz QLPITDDGGYJKMT-UHFFFAOYSA-N -1 3 295.306 1.300 20 30 CDEDHM COc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)nc1 ZINC001609358428 1164911266 /nfs/dbraw/zinc/91/12/66/1164911266.db2.gz YLJGROLPLVEWRG-UHFFFAOYSA-N -1 3 295.306 1.716 20 30 CDEDHM COc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)nc1 ZINC001609358428 1164911270 /nfs/dbraw/zinc/91/12/70/1164911270.db2.gz YLJGROLPLVEWRG-UHFFFAOYSA-N -1 3 295.306 1.716 20 30 CDEDHM Cc1cc(CN=Nc2ncccn2)ccc1-c1nnn[n-]1 ZINC001609399897 1164929962 /nfs/dbraw/zinc/92/99/62/1164929962.db2.gz SONFXFAYAASHFR-UHFFFAOYSA-N -1 3 280.295 1.411 20 30 CDEDHM Cc1cc(CN=Nc2ncccn2)ccc1-c1nn[n-]n1 ZINC001609399897 1164929970 /nfs/dbraw/zinc/92/99/70/1164929970.db2.gz SONFXFAYAASHFR-UHFFFAOYSA-N -1 3 280.295 1.411 20 30 CDEDHM Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)cc(-c2nnn[n-]2)c1 ZINC001609406947 1164933926 /nfs/dbraw/zinc/93/39/26/1164933926.db2.gz WGCGKEHZBLBBAK-JTQLQIEISA-N -1 3 299.338 1.941 20 30 CDEDHM Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)cc(-c2nn[n-]n2)c1 ZINC001609406947 1164933930 /nfs/dbraw/zinc/93/39/30/1164933930.db2.gz WGCGKEHZBLBBAK-JTQLQIEISA-N -1 3 299.338 1.941 20 30 CDEDHM N#CCCCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609494389 1164976001 /nfs/dbraw/zinc/97/60/01/1164976001.db2.gz CJXUXPREGKOQSX-UHFFFAOYSA-N -1 3 287.283 1.881 20 30 CDEDHM N#CCCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609494389 1164976007 /nfs/dbraw/zinc/97/60/07/1164976007.db2.gz CJXUXPREGKOQSX-UHFFFAOYSA-N -1 3 287.283 1.881 20 30 CDEDHM N#Cc1cccc(CN[C@@]2(C(=O)[O-])CCOC2)c1F ZINC001610631237 1165386978 /nfs/dbraw/zinc/38/69/78/1165386978.db2.gz UHRXSRDKPHAZLS-ZDUSSCGKSA-N -1 3 264.256 1.031 20 30 CDEDHM N#Cc1cccc(CN[C@]2(C(=O)[O-])CCOC2)c1F ZINC001610631236 1165387369 /nfs/dbraw/zinc/38/73/69/1165387369.db2.gz UHRXSRDKPHAZLS-CYBMUJFWSA-N -1 3 264.256 1.031 20 30 CDEDHM N#Cc1c[nH]nc1[N-]C(=O)c1cnc(-c2ncccn2)s1 ZINC001627174801 1165981654 /nfs/dbraw/zinc/98/16/54/1165981654.db2.gz QVZWKTXALOTOLZ-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM N#Cc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)o1 ZINC001641246737 1167091640 /nfs/dbraw/zinc/09/16/40/1167091640.db2.gz SOFPRPBRWUEITD-UHFFFAOYSA-N -1 3 268.232 1.985 20 30 CDEDHM N#Cc1c[nH]nc1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC001643356532 1167243680 /nfs/dbraw/zinc/24/36/80/1167243680.db2.gz HENLZGXDVGLZAF-UHFFFAOYSA-N -1 3 280.247 1.584 20 30 CDEDHM CCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001609217050 1167939591 /nfs/dbraw/zinc/93/95/91/1167939591.db2.gz AASNYZPEKCGJOT-UHFFFAOYSA-N -1 3 261.314 1.218 20 30 CDEDHM CCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001609217050 1167939594 /nfs/dbraw/zinc/93/95/94/1167939594.db2.gz AASNYZPEKCGJOT-UHFFFAOYSA-N -1 3 261.314 1.218 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(C#N)cnn1 ZINC001579251578 1172126169 /nfs/dbraw/zinc/12/61/69/1172126169.db2.gz OSFCWXAUDQDDHT-UHFFFAOYSA-N -1 3 292.306 1.165 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(C#N)cnn1 ZINC001579251578 1172126178 /nfs/dbraw/zinc/12/61/78/1172126178.db2.gz OSFCWXAUDQDDHT-UHFFFAOYSA-N -1 3 292.306 1.165 20 30 CDEDHM C#CCCNc1ncc(-c2nnn[n-]2)cc1Br ZINC001588347002 1173046050 /nfs/dbraw/zinc/04/60/50/1173046050.db2.gz JKWHAXKYEGSYKG-UHFFFAOYSA-N -1 3 293.128 1.459 20 30 CDEDHM C#C[C@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001588329640 1173030339 /nfs/dbraw/zinc/03/03/39/1173030339.db2.gz KLDYOXOQFITVED-LBPRGKRZSA-N -1 3 287.298 1.393 20 30 CDEDHM C#C[C@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001588329640 1173030345 /nfs/dbraw/zinc/03/03/45/1173030345.db2.gz KLDYOXOQFITVED-LBPRGKRZSA-N -1 3 287.298 1.393 20 30 CDEDHM C#CCCNc1ncc(-c2nn[n-]n2)cc1Br ZINC001588347002 1173046054 /nfs/dbraw/zinc/04/60/54/1173046054.db2.gz JKWHAXKYEGSYKG-UHFFFAOYSA-N -1 3 293.128 1.459 20 30 CDEDHM C#CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001588335558 1173038281 /nfs/dbraw/zinc/03/82/81/1173038281.db2.gz QUWPRMRFCQPMMR-LBPRGKRZSA-N -1 3 282.351 1.810 20 30 CDEDHM C#CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001588335558 1173038287 /nfs/dbraw/zinc/03/82/87/1173038287.db2.gz QUWPRMRFCQPMMR-LBPRGKRZSA-N -1 3 282.351 1.810 20 30 CDEDHM C#CCC1(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)CCC1 ZINC001588335330 1173040524 /nfs/dbraw/zinc/04/05/24/1173040524.db2.gz ITDFARIZBKXFKK-UHFFFAOYSA-N -1 3 299.309 1.682 20 30 CDEDHM C#CCC1(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC001588335330 1173040530 /nfs/dbraw/zinc/04/05/30/1173040530.db2.gz ITDFARIZBKXFKK-UHFFFAOYSA-N -1 3 299.309 1.682 20 30 CDEDHM C#CCCCNC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588345620 1173042216 /nfs/dbraw/zinc/04/22/16/1173042216.db2.gz MYXVBMIPVCKEJB-UHFFFAOYSA-N -1 3 297.362 1.674 20 30 CDEDHM C#CCCCNC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588345620 1173042223 /nfs/dbraw/zinc/04/22/23/1173042223.db2.gz MYXVBMIPVCKEJB-UHFFFAOYSA-N -1 3 297.362 1.674 20 30 CDEDHM C#CC[C@@H]1CCN(c2cc(C)c(-c3nnn[n-]3)cn2)C1 ZINC001588337916 1173044152 /nfs/dbraw/zinc/04/41/52/1173044152.db2.gz YHQBYVNMXUTJMG-LLVKDONJSA-N -1 3 268.324 1.420 20 30 CDEDHM C#CC[C@@H]1CCN(c2cc(C)c(-c3nn[n-]n3)cn2)C1 ZINC001588337916 1173044162 /nfs/dbraw/zinc/04/41/62/1173044162.db2.gz YHQBYVNMXUTJMG-LLVKDONJSA-N -1 3 268.324 1.420 20 30 CDEDHM C#CCNC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588353675 1173050666 /nfs/dbraw/zinc/05/06/66/1173050666.db2.gz AMLAZGGFRMNTCE-CYBMUJFWSA-N -1 3 296.334 1.177 20 30 CDEDHM C#CCNC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588353675 1173050670 /nfs/dbraw/zinc/05/06/70/1173050670.db2.gz AMLAZGGFRMNTCE-CYBMUJFWSA-N -1 3 296.334 1.177 20 30 CDEDHM C#CCN(CC)C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588350273 1173050685 /nfs/dbraw/zinc/05/06/85/1173050685.db2.gz MJDPLOKCTCKLFR-UHFFFAOYSA-N -1 3 269.308 1.270 20 30 CDEDHM C#CCN(CC)C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588350273 1173050694 /nfs/dbraw/zinc/05/06/94/1173050694.db2.gz MJDPLOKCTCKLFR-UHFFFAOYSA-N -1 3 269.308 1.270 20 30 CDEDHM C=C(CC)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001588442413 1173063041 /nfs/dbraw/zinc/06/30/41/1173063041.db2.gz OFJRCVVXUAKDAM-UHFFFAOYSA-N -1 3 289.299 1.735 20 30 CDEDHM C=C(CC)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001588442413 1173063044 /nfs/dbraw/zinc/06/30/44/1173063044.db2.gz OFJRCVVXUAKDAM-UHFFFAOYSA-N -1 3 289.299 1.735 20 30 CDEDHM C=C1CCN(C(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001588462910 1173066493 /nfs/dbraw/zinc/06/64/93/1173066493.db2.gz TUSRAJLYBVCKQI-UHFFFAOYSA-N -1 3 287.298 1.798 20 30 CDEDHM C=C1CCN(C(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001588462910 1173066496 /nfs/dbraw/zinc/06/64/96/1173066496.db2.gz TUSRAJLYBVCKQI-UHFFFAOYSA-N -1 3 287.298 1.798 20 30 CDEDHM C=CC(C)(C)CC(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001588487497 1173068341 /nfs/dbraw/zinc/06/83/41/1173068341.db2.gz UEHCAMCKVXHYKO-UHFFFAOYSA-N -1 3 272.312 1.803 20 30 CDEDHM C=CC(C)(C)CC(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001588487497 1173068350 /nfs/dbraw/zinc/06/83/50/1173068350.db2.gz UEHCAMCKVXHYKO-UHFFFAOYSA-N -1 3 272.312 1.803 20 30 CDEDHM C=CC(C)(C)CC(=O)OCc1ccncc1-c1nnn[n-]1 ZINC001588486699 1173070269 /nfs/dbraw/zinc/07/02/69/1173070269.db2.gz IOTCNFPNHIBQBQ-UHFFFAOYSA-N -1 3 287.323 1.907 20 30 CDEDHM C=CC(C)(C)CC(=O)OCc1ccncc1-c1nn[n-]n1 ZINC001588486699 1173070273 /nfs/dbraw/zinc/07/02/73/1173070273.db2.gz IOTCNFPNHIBQBQ-UHFFFAOYSA-N -1 3 287.323 1.907 20 30 CDEDHM C=C[C@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588527537 1173074153 /nfs/dbraw/zinc/07/41/53/1173074153.db2.gz NYIHQKGNEWEYMS-NSHDSACASA-N -1 3 299.338 1.834 20 30 CDEDHM C=C[C@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588527537 1173074161 /nfs/dbraw/zinc/07/41/61/1173074161.db2.gz NYIHQKGNEWEYMS-NSHDSACASA-N -1 3 299.338 1.834 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588527653 1173075742 /nfs/dbraw/zinc/07/57/42/1173075742.db2.gz RTFLDYHMWSUSCN-LLVKDONJSA-N -1 3 284.323 1.442 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588527653 1173075746 /nfs/dbraw/zinc/07/57/46/1173075746.db2.gz RTFLDYHMWSUSCN-LLVKDONJSA-N -1 3 284.323 1.442 20 30 CDEDHM C=CCN(CC=C)C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588632009 1173094737 /nfs/dbraw/zinc/09/47/37/1173094737.db2.gz PWWNLOXGJFQRAY-UHFFFAOYSA-N -1 3 287.298 1.820 20 30 CDEDHM C=CCN(CC=C)C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588632009 1173094739 /nfs/dbraw/zinc/09/47/39/1173094739.db2.gz PWWNLOXGJFQRAY-UHFFFAOYSA-N -1 3 287.298 1.820 20 30 CDEDHM C=CCOCCNc1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588682791 1173095355 /nfs/dbraw/zinc/09/53/55/1173095355.db2.gz JPTYJTLQWGSCJM-UHFFFAOYSA-N -1 3 277.303 1.929 20 30 CDEDHM C=CCOCCNc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588682791 1173095368 /nfs/dbraw/zinc/09/53/68/1173095368.db2.gz JPTYJTLQWGSCJM-UHFFFAOYSA-N -1 3 277.303 1.929 20 30 CDEDHM CC#CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001588738936 1173102677 /nfs/dbraw/zinc/10/26/77/1173102677.db2.gz WGVHNUDMQXJYHU-UHFFFAOYSA-N -1 3 282.307 1.403 20 30 CDEDHM C[C@H](C#N)OCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588934700 1173117013 /nfs/dbraw/zinc/11/70/13/1173117013.db2.gz RJQFQVKMOIICCG-MRVPVSSYSA-N -1 3 293.714 1.828 20 30 CDEDHM C[C@H](C#N)OCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588934700 1173117016 /nfs/dbraw/zinc/11/70/16/1173117016.db2.gz RJQFQVKMOIICCG-MRVPVSSYSA-N -1 3 293.714 1.828 20 30 CDEDHM C[C@H](CC#N)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589786795 1173178497 /nfs/dbraw/zinc/17/84/97/1173178497.db2.gz DITBXNJUHZPYPC-SNVBAGLBSA-N -1 3 296.334 1.317 20 30 CDEDHM C[C@H](CC#N)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589786795 1173178502 /nfs/dbraw/zinc/17/85/02/1173178502.db2.gz DITBXNJUHZPYPC-SNVBAGLBSA-N -1 3 296.334 1.317 20 30 CDEDHM C[C@@H](CC#N)NC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001589788007 1173182558 /nfs/dbraw/zinc/18/25/58/1173182558.db2.gz RUSBRUFWVSVEET-LURJTMIESA-N -1 3 277.313 1.352 20 30 CDEDHM C[C@@H](CC#N)NC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001589788007 1173182572 /nfs/dbraw/zinc/18/25/72/1173182572.db2.gz RUSBRUFWVSVEET-LURJTMIESA-N -1 3 277.313 1.352 20 30 CDEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C#N)CC1 ZINC001589895342 1173197831 /nfs/dbraw/zinc/19/78/31/1173197831.db2.gz SSCCURFTWVGTQK-SNVBAGLBSA-N -1 3 296.334 1.218 20 30 CDEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C#N)CC1 ZINC001589895342 1173197833 /nfs/dbraw/zinc/19/78/33/1173197833.db2.gz SSCCURFTWVGTQK-SNVBAGLBSA-N -1 3 296.334 1.218 20 30 CDEDHM C[C@H](Nc1cnc(C#N)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC001589987011 1173224095 /nfs/dbraw/zinc/22/40/95/1173224095.db2.gz BDDFIVRHTPEYPR-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@H](Nc1cnc(C#N)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC001589987011 1173224099 /nfs/dbraw/zinc/22/40/99/1173224099.db2.gz BDDFIVRHTPEYPR-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM CCO[C@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590795754 1173514592 /nfs/dbraw/zinc/51/45/92/1173514592.db2.gz ZPZHUWVENFTNFQ-LBPRGKRZSA-N -1 3 298.350 1.744 20 30 CDEDHM CCO[C@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590795754 1173514598 /nfs/dbraw/zinc/51/45/98/1173514598.db2.gz ZPZHUWVENFTNFQ-LBPRGKRZSA-N -1 3 298.350 1.744 20 30 CDEDHM CO[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)C1CC1 ZINC001591330439 1173614467 /nfs/dbraw/zinc/61/44/67/1173614467.db2.gz YJQBPLDNXYKCAU-LBPRGKRZSA-N -1 3 284.323 1.575 20 30 CDEDHM CO[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)C1CC1 ZINC001591330439 1173614469 /nfs/dbraw/zinc/61/44/69/1173614469.db2.gz YJQBPLDNXYKCAU-LBPRGKRZSA-N -1 3 284.323 1.575 20 30 CDEDHM COc1cc(C=NNc2cnn(C)c2)ccc1-c1nnn[n-]1 ZINC001591522646 1173666264 /nfs/dbraw/zinc/66/62/64/1173666264.db2.gz JDFHSYOUMRAWPC-UHFFFAOYSA-N -1 3 298.310 1.055 20 30 CDEDHM COc1cc(C=NNc2cnn(C)c2)ccc1-c1nn[n-]n1 ZINC001591522646 1173666270 /nfs/dbraw/zinc/66/62/70/1173666270.db2.gz JDFHSYOUMRAWPC-UHFFFAOYSA-N -1 3 298.310 1.055 20 30 CDEDHM CSc1ccccc1Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001591715958 1173691364 /nfs/dbraw/zinc/69/13/64/1173691364.db2.gz PGTMFKIZBJDSHL-UHFFFAOYSA-N -1 3 297.347 1.705 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)C(C)(C)C#N ZINC001591784647 1173703615 /nfs/dbraw/zinc/70/36/15/1173703615.db2.gz AHVAVWODBDFCGW-QMMMGPOBSA-N -1 3 288.311 1.598 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)C(C)(C)C#N ZINC001591784647 1173703619 /nfs/dbraw/zinc/70/36/19/1173703619.db2.gz AHVAVWODBDFCGW-QMMMGPOBSA-N -1 3 288.311 1.598 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)O[C@H](C#N)C(C)(C)C ZINC001591786395 1173704586 /nfs/dbraw/zinc/70/45/86/1173704586.db2.gz VZYZVMPFAQZBSO-SNVBAGLBSA-N -1 3 288.311 1.598 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)O[C@H](C#N)C(C)(C)C ZINC001591786395 1173704591 /nfs/dbraw/zinc/70/45/91/1173704591.db2.gz VZYZVMPFAQZBSO-SNVBAGLBSA-N -1 3 288.311 1.598 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N([C@H](C)C#N)C1CC1 ZINC001591873045 1173733908 /nfs/dbraw/zinc/73/39/08/1173733908.db2.gz BWHUCCUEMBFIHP-SECBINFHSA-N -1 3 297.322 1.087 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N([C@H](C)C#N)C1CC1 ZINC001591873045 1173733911 /nfs/dbraw/zinc/73/39/11/1173733911.db2.gz BWHUCCUEMBFIHP-SECBINFHSA-N -1 3 297.322 1.087 20 30 CDEDHM Cc1cc(C=NOCC(F)F)ccc1-c1nnn[n-]1 ZINC001591958862 1173755029 /nfs/dbraw/zinc/75/50/29/1173755029.db2.gz QKKUVXFRQDSJGI-UHFFFAOYSA-N -1 3 267.239 1.791 20 30 CDEDHM Cc1cc(C=NOCC(F)F)ccc1-c1nn[n-]n1 ZINC001591958862 1173755032 /nfs/dbraw/zinc/75/50/32/1173755032.db2.gz QKKUVXFRQDSJGI-UHFFFAOYSA-N -1 3 267.239 1.791 20 30 CDEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)C#CC1CC1 ZINC001591982460 1173767543 /nfs/dbraw/zinc/76/75/43/1173767543.db2.gz JGQIASPLIVRFQD-UHFFFAOYSA-N -1 3 285.282 1.666 20 30 CDEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)C#CC1CC1 ZINC001591982460 1173767550 /nfs/dbraw/zinc/76/75/50/1173767550.db2.gz JGQIASPLIVRFQD-UHFFFAOYSA-N -1 3 285.282 1.666 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1[C@H]1C=CCCC1 ZINC001592340741 1173863006 /nfs/dbraw/zinc/86/30/06/1173863006.db2.gz JLAJKAULNYUOBW-VIFPVBQESA-N -1 3 255.285 1.525 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1[C@H]1C=CCCC1 ZINC001592340741 1173863008 /nfs/dbraw/zinc/86/30/08/1173863008.db2.gz JLAJKAULNYUOBW-VIFPVBQESA-N -1 3 255.285 1.525 20 30 CDEDHM Cn1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC001592578671 1173921376 /nfs/dbraw/zinc/92/13/76/1173921376.db2.gz CLUIBYYVCCAFJD-VOTSOKGWSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC001592578671 1173921380 /nfs/dbraw/zinc/92/13/80/1173921380.db2.gz CLUIBYYVCCAFJD-VOTSOKGWSA-N -1 3 280.291 1.496 20 30 CDEDHM N#CC1CCN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001592672477 1173964132 /nfs/dbraw/zinc/96/41/32/1173964132.db2.gz JONFMLNTZBCZFI-UHFFFAOYSA-N -1 3 299.294 1.515 20 30 CDEDHM N#CC1CCN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001592672477 1173964139 /nfs/dbraw/zinc/96/41/39/1173964139.db2.gz JONFMLNTZBCZFI-UHFFFAOYSA-N -1 3 299.294 1.515 20 30 CDEDHM N#CCCCCNC(=O)c1cscc1-c1nnn[n-]1 ZINC001592676449 1173966687 /nfs/dbraw/zinc/96/66/87/1173966687.db2.gz PQCJBDHFNJEJRE-UHFFFAOYSA-N -1 3 276.325 1.352 20 30 CDEDHM N#CCCCCNC(=O)c1cscc1-c1nn[n-]n1 ZINC001592676449 1173966694 /nfs/dbraw/zinc/96/66/94/1173966694.db2.gz PQCJBDHFNJEJRE-UHFFFAOYSA-N -1 3 276.325 1.352 20 30 CDEDHM N#C[C@]1(c2ccccn2)CCCN([C@@H](C(=O)[O-])C2CC2)C1 ZINC001601058818 1174720968 /nfs/dbraw/zinc/72/09/68/1174720968.db2.gz QNLAGPWYYJKQFY-GDBMZVCRSA-N -1 3 285.347 1.802 20 30 CDEDHM N#C[C@H]1CC[C@@H](NCc2ccccc2OCC(=O)[O-])C1 ZINC001601080132 1174734321 /nfs/dbraw/zinc/73/43/21/1174734321.db2.gz XWADWYFRVMMLPI-WCQYABFASA-N -1 3 274.320 1.932 20 30 CDEDHM N#Cc1ccc(CNC2(CC(=O)[O-])CCC2)c([N+](=O)[O-])c1 ZINC001601101744 1174743062 /nfs/dbraw/zinc/74/30/62/1174743062.db2.gz HUSKSTOAYHIUIN-UHFFFAOYSA-N -1 3 289.291 1.953 20 30 CDEDHM N#CCS(=O)(=O)[N-]c1c(F)cc(F)cc1Cl ZINC000124314046 1175319136 /nfs/dbraw/zinc/31/91/36/1175319136.db2.gz SECSJUDFRZBCNA-UHFFFAOYSA-N -1 3 266.656 1.883 20 30 CDEDHM C#C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001602690188 1175355489 /nfs/dbraw/zinc/35/54/89/1175355489.db2.gz RWIKUBMSXYKIFM-JIMOISOXSA-N -1 3 281.319 1.108 20 30 CDEDHM C#C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001602690188 1175355496 /nfs/dbraw/zinc/35/54/96/1175355496.db2.gz RWIKUBMSXYKIFM-JIMOISOXSA-N -1 3 281.319 1.108 20 30 CDEDHM C#CC1(F)CN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC001602690953 1175357475 /nfs/dbraw/zinc/35/74/75/1175357475.db2.gz NJCYBMVQXXOBRB-UHFFFAOYSA-N -1 3 292.705 1.385 20 30 CDEDHM C#CC1(F)CN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC001602690953 1175357479 /nfs/dbraw/zinc/35/74/79/1175357479.db2.gz NJCYBMVQXXOBRB-UHFFFAOYSA-N -1 3 292.705 1.385 20 30 CDEDHM C#CC[C@H]1CCN(c2cc(C(C)=O)ccc2-c2nnn[n-]2)C1 ZINC001602702224 1175364478 /nfs/dbraw/zinc/36/44/78/1175364478.db2.gz CYJMIYCHEJGPNE-LBPRGKRZSA-N -1 3 295.346 1.919 20 30 CDEDHM C#CC[C@H]1CCN(c2cc(C(C)=O)ccc2-c2nn[n-]n2)C1 ZINC001602702224 1175364485 /nfs/dbraw/zinc/36/44/85/1175364485.db2.gz CYJMIYCHEJGPNE-LBPRGKRZSA-N -1 3 295.346 1.919 20 30 CDEDHM C#CCN(c1nccc(C)c1-c1nnn[n-]1)C1CCCC1 ZINC001602717934 1175372491 /nfs/dbraw/zinc/37/24/91/1175372491.db2.gz JHHYLYDUPFYYJA-UHFFFAOYSA-N -1 3 282.351 1.952 20 30 CDEDHM C#CCN(c1nccc(C)c1-c1nn[n-]n1)C1CCCC1 ZINC001602717934 1175372493 /nfs/dbraw/zinc/37/24/93/1175372493.db2.gz JHHYLYDUPFYYJA-UHFFFAOYSA-N -1 3 282.351 1.952 20 30 CDEDHM C=C[C@@](C)(O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001602793772 1175403459 /nfs/dbraw/zinc/40/34/59/1175403459.db2.gz OQPWLIUGEGCRIW-CQSZACIVSA-N -1 3 287.323 1.441 20 30 CDEDHM C=C[C@@](C)(O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001602793772 1175403460 /nfs/dbraw/zinc/40/34/60/1175403460.db2.gz OQPWLIUGEGCRIW-CQSZACIVSA-N -1 3 287.323 1.441 20 30 CDEDHM C=CCCC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001602826255 1175418368 /nfs/dbraw/zinc/41/83/68/1175418368.db2.gz DWJSGHVSXHQDEL-UHFFFAOYSA-N -1 3 271.324 1.492 20 30 CDEDHM C=CCCC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 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COc1cccc([O-])c1/C=N\[C@H](C)[C@@H](C)N1CCOCC1 ZINC000729641675 574818854 /nfs/dbraw/zinc/81/88/54/574818854.db2.gz SIGBLDSRQHRAKI-AACANCPSSA-N -1 3 292.379 1.929 20 30 CDEDHM CC(=NN1CCN(C)CC1)c1ccc([O-])cc1F ZINC000729931655 574831326 /nfs/dbraw/zinc/83/13/26/574831326.db2.gz QHCMQXISEPKSSM-UHFFFAOYSA-N -1 3 251.305 1.503 20 30 CDEDHM COc1cccc([O-])c1/C=N/CCc1cnccn1 ZINC000774541727 575213648 /nfs/dbraw/zinc/21/36/48/575213648.db2.gz KHQHJPFLRMIFKH-XNTDXEJSSA-N -1 3 257.293 1.852 20 30 CDEDHM C#Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735391400 575462530 /nfs/dbraw/zinc/46/25/30/575462530.db2.gz RYRCLNVIBXQPPC-UHFFFAOYSA-N -1 3 290.286 1.495 20 30 CDEDHM C#Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735391400 575462533 /nfs/dbraw/zinc/46/25/33/575462533.db2.gz RYRCLNVIBXQPPC-UHFFFAOYSA-N -1 3 290.286 1.495 20 30 CDEDHM CC#CCN1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735447032 575468846 /nfs/dbraw/zinc/46/88/46/575468846.db2.gz BRFDEDCLSRLLHP-UHFFFAOYSA-N -1 3 296.378 1.008 20 30 CDEDHM CC#CCN1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735447032 575468848 /nfs/dbraw/zinc/46/88/48/575468848.db2.gz BRFDEDCLSRLLHP-UHFFFAOYSA-N -1 3 296.378 1.008 20 30 CDEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCOCC1 ZINC000770604829 575472202 /nfs/dbraw/zinc/47/22/02/575472202.db2.gz GSVIYRYYYAJBBS-UHFFFAOYSA-N -1 3 296.392 1.705 20 30 CDEDHM CCN(CC)c1ccc(C=NN2CN=NC2=O)c([O-])c1 ZINC000770621579 575475604 /nfs/dbraw/zinc/47/56/04/575475604.db2.gz JOSFHQNZULICKL-UHFFFAOYSA-N -1 3 275.312 1.418 20 30 CDEDHM CC(C)CN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735827040 575515313 /nfs/dbraw/zinc/51/53/13/575515313.db2.gz BJPVVSORLODZQP-UHFFFAOYSA-N -1 3 299.338 1.274 20 30 CDEDHM CC(C)CN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735827040 575515315 /nfs/dbraw/zinc/51/53/15/575515315.db2.gz BJPVVSORLODZQP-UHFFFAOYSA-N -1 3 299.338 1.274 20 30 CDEDHM C=C(Cl)CNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000736061941 575559337 /nfs/dbraw/zinc/55/93/37/575559337.db2.gz NQQPPGZLSXOJPW-YRNVUSSQSA-N -1 3 262.696 1.640 20 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GYMZMJNVLRLUAG-UHFFFAOYSA-N -1 3 276.271 1.461 20 30 CDEDHM Cc1ncsc1CCn1ccc(C=N[O-])nc1=O ZINC000748100085 576895763 /nfs/dbraw/zinc/89/57/63/576895763.db2.gz CITGAGWFKOFOAI-UHFFFAOYSA-N -1 3 264.310 1.059 20 30 CDEDHM C#C[C@H](CC)[N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1 ZINC000754674642 576910179 /nfs/dbraw/zinc/91/01/79/576910179.db2.gz KSEZQKPHDQCYMB-LLVKDONJSA-N -1 3 281.258 1.999 20 30 CDEDHM CCCCc1nc(Cl)c(C=NN2CC(=O)[N-]C2=O)[nH]1 ZINC000755609604 576952096 /nfs/dbraw/zinc/95/20/96/576952096.db2.gz ASJBWMVVZPHQDN-UHFFFAOYSA-N -1 3 283.719 1.291 20 30 CDEDHM Cc1csc(C=N[N-]S(=O)(=O)Cc2ccccc2)n1 ZINC000755662558 576954134 /nfs/dbraw/zinc/95/41/34/576954134.db2.gz QHYBIAIBDSYKAH-UHFFFAOYSA-N -1 3 295.389 1.905 20 30 CDEDHM C[C@H](NC(=S)NN=Cc1ccc(O)c([O-])c1O)C1CC1 ZINC000751528841 577048195 /nfs/dbraw/zinc/04/81/95/577048195.db2.gz JNAANHUXQDPMOV-ZETCQYMHSA-N -1 3 295.364 1.400 20 30 CDEDHM CCc1ncc(C=N[N-]c2[nH+]cnc3[n-]cnc32)s1 ZINC000752164649 577091722 /nfs/dbraw/zinc/09/17/22/577091722.db2.gz OIJQUQLBEFIAHS-UHFFFAOYSA-N -1 3 273.325 1.818 20 30 CDEDHM N#Cc1ccc(C(=O)OCc2nc(-c3ccco3)no2)[n-]1 ZINC000752496180 577109857 /nfs/dbraw/zinc/10/98/57/577109857.db2.gz XOPDLEPUJDZWSO-UHFFFAOYSA-N -1 3 284.231 1.886 20 30 CDEDHM C#CCCCNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819693120 599191855 /nfs/dbraw/zinc/19/18/55/599191855.db2.gz NUVUOSKGYKBPJL-LLVKDONJSA-N -1 3 299.334 1.164 20 30 CDEDHM C[C@@H](CC#N)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820220175 599388154 /nfs/dbraw/zinc/38/81/54/599388154.db2.gz OIPHKQFAABJPTJ-UWVGGRQHSA-N -1 3 256.313 1.819 20 30 CDEDHM C=CCCC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894131 607369268 /nfs/dbraw/zinc/36/92/68/607369268.db2.gz IGJCGPVGUUBVNK-UHFFFAOYSA-N -1 3 286.291 1.559 20 30 CDEDHM C=CCCC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894131 607369270 /nfs/dbraw/zinc/36/92/70/607369270.db2.gz IGJCGPVGUUBVNK-UHFFFAOYSA-N -1 3 286.291 1.559 20 30 CDEDHM N#Cc1ccc(N2CCN(CCCC(=O)[O-])CC2)cc1 ZINC000833073579 601410937 /nfs/dbraw/zinc/41/09/37/601410937.db2.gz RDTSPUFTVJMGRI-UHFFFAOYSA-N -1 3 273.336 1.545 20 30 CDEDHM C#CCN1CCC(C(=O)N[C@@H](CCCCC)C(=O)[O-])CC1 ZINC000825614760 601647363 /nfs/dbraw/zinc/64/73/63/601647363.db2.gz XKGCASWEFMMLBO-AWEZNQCLSA-N -1 3 294.395 1.481 20 30 CDEDHM C[C@]1(C#N)CCCN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824779831 608125822 /nfs/dbraw/zinc/12/58/22/608125822.db2.gz XCRMBEMOJLBOPG-OAHLLOKOSA-N -1 3 282.351 1.992 20 30 CDEDHM C#C[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001602690448 1175354841 /nfs/dbraw/zinc/35/48/41/1175354841.db2.gz VSUJHNAJTQXCRA-SECBINFHSA-N -1 3 270.296 1.318 20 30 CDEDHM C#C[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001602690448 1175354848 /nfs/dbraw/zinc/35/48/48/1175354848.db2.gz VSUJHNAJTQXCRA-SECBINFHSA-N -1 3 270.296 1.318 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C#N)C(C)C ZINC000826245989 607687949 /nfs/dbraw/zinc/68/79/49/607687949.db2.gz OCWFPQKLCXGDTK-GFCCVEGCSA-N -1 3 284.323 1.453 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C#N)C(C)C ZINC000826245989 607687951 /nfs/dbraw/zinc/68/79/51/607687951.db2.gz OCWFPQKLCXGDTK-GFCCVEGCSA-N -1 3 284.323 1.453 20 30 CDEDHM C#CCCCCC(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001602710596 1175369101 /nfs/dbraw/zinc/36/91/01/1175369101.db2.gz VYURYQYOMLQNKG-UHFFFAOYSA-N -1 3 284.323 1.072 20 30 CDEDHM C#CCCCCC(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001602710596 1175369107 /nfs/dbraw/zinc/36/91/07/1175369107.db2.gz VYURYQYOMLQNKG-UHFFFAOYSA-N -1 3 284.323 1.072 20 30 CDEDHM C#CCCN(CCOC)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602712910 1175370614 /nfs/dbraw/zinc/37/06/14/1175370614.db2.gz ZRUOYJITJNPMBA-UHFFFAOYSA-N -1 3 286.339 1.046 20 30 CDEDHM C#CCCN(CCOC)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602712910 1175370619 /nfs/dbraw/zinc/37/06/19/1175370619.db2.gz ZRUOYJITJNPMBA-UHFFFAOYSA-N -1 3 286.339 1.046 20 30 CDEDHM C#CCCN1CCN(Cc2ccccc2CC(=O)[O-])CC1 ZINC000833362501 605192221 /nfs/dbraw/zinc/19/22/21/605192221.db2.gz VRMYTZWDYHBGOY-UHFFFAOYSA-N -1 3 286.375 1.455 20 30 CDEDHM CN(CCC#N)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821598308 606198270 /nfs/dbraw/zinc/19/82/70/606198270.db2.gz XYSXPCIMVFZDIT-UHFFFAOYSA-N -1 3 299.338 1.041 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C#N)c[nH]1 ZINC000822220503 606265184 /nfs/dbraw/zinc/26/51/84/606265184.db2.gz UFMUKKANACTGLP-UHFFFAOYSA-N -1 3 293.290 1.627 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)c[nH]1 ZINC000822220503 606265185 /nfs/dbraw/zinc/26/51/85/606265185.db2.gz UFMUKKANACTGLP-UHFFFAOYSA-N -1 3 293.290 1.627 20 30 CDEDHM C#CCCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819698264 606345053 /nfs/dbraw/zinc/34/50/53/606345053.db2.gz VZHGNSLWFSLJOV-UHFFFAOYSA-N -1 3 274.259 1.151 20 30 CDEDHM C#CCCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819698264 606345055 /nfs/dbraw/zinc/34/50/55/606345055.db2.gz VZHGNSLWFSLJOV-UHFFFAOYSA-N -1 3 274.259 1.151 20 30 CDEDHM CN(CCC#N)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821597652 606796249 /nfs/dbraw/zinc/79/62/49/606796249.db2.gz BVFYSFHURJRNIJ-UHFFFAOYSA-N -1 3 297.244 1.630 20 30 CDEDHM CN(CCC#N)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821597652 606796251 /nfs/dbraw/zinc/79/62/51/606796251.db2.gz BVFYSFHURJRNIJ-UHFFFAOYSA-N -1 3 297.244 1.630 20 30 CDEDHM C=C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819729309 606800238 /nfs/dbraw/zinc/80/02/38/606800238.db2.gz GHTCCAUOFXKYDL-ZJUUUORDSA-N -1 3 286.339 1.801 20 30 CDEDHM C=C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819729309 606800240 /nfs/dbraw/zinc/80/02/40/606800240.db2.gz GHTCCAUOFXKYDL-ZJUUUORDSA-N -1 3 286.339 1.801 20 30 CDEDHM C#CCCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000819692711 606947265 /nfs/dbraw/zinc/94/72/65/606947265.db2.gz HQCBADKMZDGPPA-UHFFFAOYSA-N -1 3 287.283 1.385 20 30 CDEDHM C#CCCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000819692711 606947267 /nfs/dbraw/zinc/94/72/67/606947267.db2.gz HQCBADKMZDGPPA-UHFFFAOYSA-N -1 3 287.283 1.385 20 30 CDEDHM Cc1ccc(CCn2c(N)nc(C#N)c2-c2nnn[n-]2)cc1 ZINC000822236177 607237439 /nfs/dbraw/zinc/23/74/39/607237439.db2.gz MZNAWRLAWAEDGQ-UHFFFAOYSA-N -1 3 294.322 1.068 20 30 CDEDHM Cc1ccc(CCn2c(N)nc(C#N)c2-c2nn[n-]n2)cc1 ZINC000822236177 607237440 /nfs/dbraw/zinc/23/74/40/607237440.db2.gz MZNAWRLAWAEDGQ-UHFFFAOYSA-N -1 3 294.322 1.068 20 30 CDEDHM C[C@@H](C#N)CN(Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000824034327 607831556 /nfs/dbraw/zinc/83/15/56/607831556.db2.gz IKPIQEZVQZWUJW-NSHDSACASA-N -1 3 282.351 1.991 20 30 CDEDHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000825013517 608159860 /nfs/dbraw/zinc/15/98/60/608159860.db2.gz PVRCWVFPFXCCMY-GZMMTYOYSA-N -1 3 298.306 1.102 20 30 CDEDHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000825013517 608159863 /nfs/dbraw/zinc/15/98/63/608159863.db2.gz PVRCWVFPFXCCMY-GZMMTYOYSA-N -1 3 298.306 1.102 20 30 CDEDHM N#Cc1ccc(Oc2cc(Cl)ccc2-c2nnn[n-]2)nn1 ZINC000826386051 608433346 /nfs/dbraw/zinc/43/33/46/608433346.db2.gz MWSHDIYZAWPWQZ-UHFFFAOYSA-N -1 3 299.681 1.974 20 30 CDEDHM N#Cc1ccc(Oc2cc(Cl)ccc2-c2nn[n-]n2)nn1 ZINC000826386051 608433348 /nfs/dbraw/zinc/43/33/48/608433348.db2.gz MWSHDIYZAWPWQZ-UHFFFAOYSA-N -1 3 299.681 1.974 20 30 CDEDHM C[C@H]1OCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825015049 608540552 /nfs/dbraw/zinc/54/05/52/608540552.db2.gz ZEEMUQNSTAOHRQ-ZCFIWIBFSA-N -1 3 293.718 1.492 20 30 CDEDHM C[C@H]1OCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825015049 608540554 /nfs/dbraw/zinc/54/05/54/608540554.db2.gz ZEEMUQNSTAOHRQ-ZCFIWIBFSA-N -1 3 293.718 1.492 20 30 CDEDHM N#CC1(CSc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826380286 609310506 /nfs/dbraw/zinc/31/05/06/609310506.db2.gz UPIKHHLEDVTDPP-UHFFFAOYSA-N -1 3 258.310 1.658 20 30 CDEDHM N#CC1(CSc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826380286 609310508 /nfs/dbraw/zinc/31/05/08/609310508.db2.gz UPIKHHLEDVTDPP-UHFFFAOYSA-N -1 3 258.310 1.658 20 30 CDEDHM C#CCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000965266556 613254080 /nfs/dbraw/zinc/25/40/80/613254080.db2.gz HYQJHGRXAYDTOR-GXTWGEPZSA-N -1 3 272.348 1.466 20 30 CDEDHM C#CCCCS(=O)(=O)[N-]c1nc2cccnc2n1C ZINC000840947197 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ZINC000904208991 626213483 /nfs/dbraw/zinc/21/34/83/626213483.db2.gz PFOAGTIHFBHGCO-UHFFFAOYSA-N -1 3 289.335 1.758 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000904209070 626213944 /nfs/dbraw/zinc/21/39/44/626213944.db2.gz SGVZNBHRTOTFBU-LBPRGKRZSA-N -1 3 291.351 1.448 20 30 CDEDHM N#Cc1cc(F)c(C(=O)[N-]c2nnnn2C2CC2)c(F)c1 ZINC000905842604 626992932 /nfs/dbraw/zinc/99/29/32/626992932.db2.gz XCERFMDBJPSHKG-UHFFFAOYSA-N -1 3 290.233 1.410 20 30 CDEDHM C=CCC[C@@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)[O-] ZINC000909711413 628636513 /nfs/dbraw/zinc/63/65/13/628636513.db2.gz AYKMBMZOWYBVES-QWHCGFSZSA-N -1 3 282.384 1.787 20 30 CDEDHM C=C(C)C[C@@H](NC(=O)CN(C)CC(C)(C)C)C(=O)[O-] ZINC000910292422 629000148 /nfs/dbraw/zinc/00/01/48/629000148.db2.gz GDEZNCJWJNXMSH-LLVKDONJSA-N -1 3 270.373 1.500 20 30 CDEDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc(C#N)c(F)c1 ZINC000732222801 631734953 /nfs/dbraw/zinc/73/49/53/631734953.db2.gz YYWPABGPBGWANL-UHFFFAOYSA-N -1 3 281.268 1.497 20 30 CDEDHM CC(=NNC(=S)NC1CC1)c1cc(F)ccc1[O-] ZINC000916282321 631958156 /nfs/dbraw/zinc/95/81/56/631958156.db2.gz PEMFWFOMZRVQLL-UHFFFAOYSA-N -1 3 267.329 1.882 20 30 CDEDHM Cc1ncc(CO)c(C=NNC(=S)NC(C)(C)C)c1[O-] ZINC000916343662 631971719 /nfs/dbraw/zinc/97/17/19/631971719.db2.gz MDNDJBFDRZETHS-UHFFFAOYSA-N -1 3 296.396 1.184 20 30 CDEDHM Oc1cccc(C=N[N-]c2[nH+]cnc3[n-]cnc32)c1O ZINC000917555541 632241716 /nfs/dbraw/zinc/24/17/16/632241716.db2.gz UJMJBMKZIZCTSU-UHFFFAOYSA-N -1 3 270.252 1.210 20 30 CDEDHM C=CCOCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001602870262 1175439209 /nfs/dbraw/zinc/43/92/09/1175439209.db2.gz JPFHNOXCKBFNNL-UHFFFAOYSA-N -1 3 264.264 1.015 20 30 CDEDHM C=CCOCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001602870262 1175439213 /nfs/dbraw/zinc/43/92/13/1175439213.db2.gz JPFHNOXCKBFNNL-UHFFFAOYSA-N -1 3 264.264 1.015 20 30 CDEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cnn(C)n3)[nH]c21 ZINC000793156797 1162397588 /nfs/dbraw/zinc/39/75/88/1162397588.db2.gz ROVQUAQQANWCQN-VIFPVBQESA-N -1 3 280.291 1.490 20 30 CDEDHM CCC[C@H](O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604146487 1163104467 /nfs/dbraw/zinc/10/44/67/1163104467.db2.gz CYSZQFLLSYACKQ-JTQLQIEISA-N -1 3 272.312 1.311 20 30 CDEDHM CCC[C@H](O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604146487 1163104469 /nfs/dbraw/zinc/10/44/69/1163104469.db2.gz CYSZQFLLSYACKQ-JTQLQIEISA-N -1 3 272.312 1.311 20 30 CDEDHM CCN(CC#N)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001604273679 1163139902 /nfs/dbraw/zinc/13/99/02/1163139902.db2.gz MVPPYNSXYGAMQT-UHFFFAOYSA-N -1 3 256.313 1.255 20 30 CDEDHM CCN(CC#N)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001604273679 1163139906 /nfs/dbraw/zinc/13/99/06/1163139906.db2.gz MVPPYNSXYGAMQT-UHFFFAOYSA-N -1 3 256.313 1.255 20 30 CDEDHM Cc1c[nH]nc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001605504774 1163589681 /nfs/dbraw/zinc/58/96/81/1163589681.db2.gz JOEIFCGPNLSUJK-UHFFFAOYSA-N -1 3 268.284 1.344 20 30 CDEDHM Cc1c[nH]nc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001605504774 1163589683 /nfs/dbraw/zinc/58/96/83/1163589683.db2.gz JOEIFCGPNLSUJK-UHFFFAOYSA-N -1 3 268.284 1.344 20 30 CDEDHM CN(Cc1ccc(C(=O)[O-])cn1)C[C@@H](O)CC1(C#N)CC1 ZINC001606155436 1163789394 /nfs/dbraw/zinc/78/93/94/1163789394.db2.gz NJKSDXCCSKDZDD-ZDUSSCGKSA-N -1 3 289.335 1.266 20 30 CDEDHM C[C@H](C[C@@H](C)NC(=O)c1ccccc1[O-])NCC#N ZINC001133723540 1163865690 /nfs/dbraw/zinc/86/56/90/1163865690.db2.gz WLJAXMLBXLDAFO-GHMZBOCLSA-N -1 3 261.325 1.402 20 30 CDEDHM N#Cc1ccc(Cn2cc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC001606369092 1163880526 /nfs/dbraw/zinc/88/05/26/1163880526.db2.gz ODHZAGQKMBVWSH-UHFFFAOYSA-N -1 3 285.698 1.637 20 30 CDEDHM N#Cc1ccc(Cn2cc(-c3nn[n-]n3)cn2)c(Cl)c1 ZINC001606369092 1163880532 /nfs/dbraw/zinc/88/05/32/1163880532.db2.gz ODHZAGQKMBVWSH-UHFFFAOYSA-N -1 3 285.698 1.637 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCCOC1 ZINC001606379541 1163882434 /nfs/dbraw/zinc/88/24/34/1163882434.db2.gz CWDAUBZSCRJRRW-SNVBAGLBSA-N -1 3 284.323 1.577 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCCOC1 ZINC001606379541 1163882437 /nfs/dbraw/zinc/88/24/37/1163882437.db2.gz CWDAUBZSCRJRRW-SNVBAGLBSA-N -1 3 284.323 1.577 20 30 CDEDHM C(=NOC[C@@H]1CCOC1)c1cc(-c2nnn[n-]2)cs1 ZINC001609022443 1164731444 /nfs/dbraw/zinc/73/14/44/1164731444.db2.gz SDRWAUJJSKGZEP-MRVPVSSYSA-N -1 3 279.325 1.315 20 30 CDEDHM C(=NOC[C@@H]1CCOC1)c1cc(-c2nn[n-]n2)cs1 ZINC001609022443 1164731450 /nfs/dbraw/zinc/73/14/50/1164731450.db2.gz SDRWAUJJSKGZEP-MRVPVSSYSA-N -1 3 279.325 1.315 20 30 CDEDHM C=C(C)C[C@H](C)C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC001609051417 1164745637 /nfs/dbraw/zinc/74/56/37/1164745637.db2.gz YRIITFJCNCUUJQ-VIFPVBQESA-N -1 3 272.312 1.224 20 30 CDEDHM C=C(C)C[C@H](C)C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC001609051417 1164745643 /nfs/dbraw/zinc/74/56/43/1164745643.db2.gz YRIITFJCNCUUJQ-VIFPVBQESA-N -1 3 272.312 1.224 20 30 CDEDHM C=CCC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001609052935 1164746281 /nfs/dbraw/zinc/74/62/81/1164746281.db2.gz WICYYSLOZDOUPZ-UHFFFAOYSA-N -1 3 272.312 1.803 20 30 CDEDHM C=CCC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001609052935 1164746289 /nfs/dbraw/zinc/74/62/89/1164746289.db2.gz WICYYSLOZDOUPZ-UHFFFAOYSA-N -1 3 272.312 1.803 20 30 CDEDHM C=CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001609056099 1164750057 /nfs/dbraw/zinc/75/00/57/1164750057.db2.gz PKOIIHSHZHJCTO-QWHCGFSZSA-N -1 3 283.335 1.615 20 30 CDEDHM C=CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001609056099 1164750061 /nfs/dbraw/zinc/75/00/61/1164750061.db2.gz PKOIIHSHZHJCTO-QWHCGFSZSA-N -1 3 283.335 1.615 20 30 CDEDHM C[C@H](CCO)Sc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609111607 1164777852 /nfs/dbraw/zinc/77/78/52/1164777852.db2.gz ZRXHHNJQZWXDPG-MRVPVSSYSA-N -1 3 275.337 1.601 20 30 CDEDHM C[C@H](CCO)Sc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609111607 1164777856 /nfs/dbraw/zinc/77/78/56/1164777856.db2.gz ZRXHHNJQZWXDPG-MRVPVSSYSA-N -1 3 275.337 1.601 20 30 CDEDHM Cn1cnc(C=CC(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001609481114 1164967748 /nfs/dbraw/zinc/96/77/48/1164967748.db2.gz XOOROAMWUXOHHF-VOTSOKGWSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1cnc(C=CC(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001609481114 1164967755 /nfs/dbraw/zinc/96/77/55/1164967755.db2.gz XOOROAMWUXOHHF-VOTSOKGWSA-N -1 3 280.291 1.496 20 30 CDEDHM CN(C)c1ccccc1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001610106539 1165217555 /nfs/dbraw/zinc/21/75/55/1165217555.db2.gz NYJSZTYRUVDQOO-UHFFFAOYSA-N -1 3 287.363 1.943 20 30 CDEDHM CCOCCS(=O)(=O)[N-][C@@H](C#N)c1ccccc1 ZINC000063153956 1169103277 /nfs/dbraw/zinc/10/32/77/1169103277.db2.gz YTGKXBZGFADSTH-LBPRGKRZSA-N -1 3 268.338 1.207 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588325252 1173023559 /nfs/dbraw/zinc/02/35/59/1173023559.db2.gz HVGVDNZUGSTKIR-LLVKDONJSA-N -1 3 295.346 1.378 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588325252 1173023564 /nfs/dbraw/zinc/02/35/64/1173023564.db2.gz HVGVDNZUGSTKIR-LLVKDONJSA-N -1 3 295.346 1.378 20 30 CDEDHM C#CCC1(NCc2nc(-c3nnn[n-]3)cs2)CCC1 ZINC001588335460 1173039012 /nfs/dbraw/zinc/03/90/12/1173039012.db2.gz NFYAAYCRGOTWLI-UHFFFAOYSA-N -1 3 274.353 1.359 20 30 CDEDHM C#CCN(Cc1ccccc1)c1ncccc1-c1nnn[n-]1 ZINC001588352077 1173051557 /nfs/dbraw/zinc/05/15/57/1173051557.db2.gz SDEDOAWYRRURDX-UHFFFAOYSA-N -1 3 290.330 1.902 20 30 CDEDHM C#CCN(Cc1ccccc1)c1ncccc1-c1nn[n-]n1 ZINC001588352077 1173051561 /nfs/dbraw/zinc/05/15/61/1173051561.db2.gz SDEDOAWYRRURDX-UHFFFAOYSA-N -1 3 290.330 1.902 20 30 CDEDHM C#CCSCC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588363280 1173052542 /nfs/dbraw/zinc/05/25/42/1173052542.db2.gz VZAMCEPWAVXJOR-UHFFFAOYSA-N -1 3 291.311 1.311 20 30 CDEDHM C#CCSCC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588363280 1173052549 /nfs/dbraw/zinc/05/25/49/1173052549.db2.gz VZAMCEPWAVXJOR-UHFFFAOYSA-N -1 3 291.311 1.311 20 30 CDEDHM C=CC(C)(C)CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588489146 1173069510 /nfs/dbraw/zinc/06/95/10/1173069510.db2.gz XENJKXAXLONUAT-UHFFFAOYSA-N -1 3 285.351 1.738 20 30 CDEDHM C=C[C@@H](C)NC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588515770 1173071827 /nfs/dbraw/zinc/07/18/27/1173071827.db2.gz HGZQSACFUOJMDK-SECBINFHSA-N -1 3 257.297 1.479 20 30 CDEDHM C=C[C@@H](C)NC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588515770 1173071832 /nfs/dbraw/zinc/07/18/32/1173071832.db2.gz HGZQSACFUOJMDK-SECBINFHSA-N -1 3 257.297 1.479 20 30 CDEDHM C=C[C@@H](C)NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001588516044 1173073035 /nfs/dbraw/zinc/07/30/35/1173073035.db2.gz OXODWFBCQCJGPR-MRVPVSSYSA-N -1 3 282.307 1.652 20 30 CDEDHM C=C[C@@H](C)NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001588516044 1173073039 /nfs/dbraw/zinc/07/30/39/1173073039.db2.gz OXODWFBCQCJGPR-MRVPVSSYSA-N -1 3 282.307 1.652 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588563861 1173082705 /nfs/dbraw/zinc/08/27/05/1173082705.db2.gz CVFVSTJUFQFVTL-SECBINFHSA-N -1 3 275.337 1.719 20 30 CDEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1COCCO1 ZINC001588780571 1173105814 /nfs/dbraw/zinc/10/58/14/1173105814.db2.gz FVDIGGLIDZVREG-LBPRGKRZSA-N -1 3 288.311 1.070 20 30 CDEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1COCCO1 ZINC001588780571 1173105818 /nfs/dbraw/zinc/10/58/18/1173105818.db2.gz FVDIGGLIDZVREG-LBPRGKRZSA-N -1 3 288.311 1.070 20 30 CDEDHM C[C@H](C#N)OCCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588934716 1173117203 /nfs/dbraw/zinc/11/72/03/1173117203.db2.gz RRNVXPOIQLQIHY-MRVPVSSYSA-N -1 3 277.259 1.313 20 30 CDEDHM C[C@H](C#N)OCCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588934716 1173117208 /nfs/dbraw/zinc/11/72/08/1173117208.db2.gz RRNVXPOIQLQIHY-MRVPVSSYSA-N -1 3 277.259 1.313 20 30 CDEDHM CC1(C#N)CN(Cc2csc(-c3nnn[n-]3)c2)C1 ZINC001590056810 1173243060 /nfs/dbraw/zinc/24/30/60/1173243060.db2.gz TXWYMQDDTKMERB-UHFFFAOYSA-N -1 3 260.326 1.274 20 30 CDEDHM C[C@]1(C#N)CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590056346 1173242821 /nfs/dbraw/zinc/24/28/21/1173242821.db2.gz HTXLVJDFCSCNMF-CYBMUJFWSA-N -1 3 299.294 1.515 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001590371900 1173381239 /nfs/dbraw/zinc/38/12/39/1173381239.db2.gz LLAGCXCIOCEUIS-HNNXBMFYSA-N -1 3 296.334 1.696 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001590371900 1173381243 /nfs/dbraw/zinc/38/12/43/1173381243.db2.gz LLAGCXCIOCEUIS-HNNXBMFYSA-N -1 3 296.334 1.696 20 30 CDEDHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)C#N ZINC001590668643 1173486696 /nfs/dbraw/zinc/48/66/96/1173486696.db2.gz QUQPWEQHDSUHPJ-JTQLQIEISA-N -1 3 299.338 1.039 20 30 CDEDHM CCN(CC)C(=O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590684258 1173490870 /nfs/dbraw/zinc/49/08/70/1173490870.db2.gz WDXZAOUEDUAFHH-UHFFFAOYSA-N -1 3 299.338 1.019 20 30 CDEDHM CCN(CC)C(=O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590684258 1173490874 /nfs/dbraw/zinc/49/08/74/1173490874.db2.gz WDXZAOUEDUAFHH-UHFFFAOYSA-N -1 3 299.338 1.019 20 30 CDEDHM Cc1c(C(=O)N[C@H](C)CC#N)cccc1-c1nnn[n-]1 ZINC001591805774 1173707257 /nfs/dbraw/zinc/70/72/57/1173707257.db2.gz QDTDRCGZUGKROB-MRVPVSSYSA-N -1 3 270.296 1.207 20 30 CDEDHM Cc1c(C(=O)N[C@H](C)CC#N)cccc1-c1nn[n-]n1 ZINC001591805774 1173707263 /nfs/dbraw/zinc/70/72/63/1173707263.db2.gz QDTDRCGZUGKROB-MRVPVSSYSA-N -1 3 270.296 1.207 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)OC(C)(C)C#N ZINC001591881098 1173736566 /nfs/dbraw/zinc/73/65/66/1173736566.db2.gz PQMPMJKYVLWUOL-UHFFFAOYSA-N -1 3 272.268 1.029 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)OC(C)(C)C#N ZINC001591881098 1173736570 /nfs/dbraw/zinc/73/65/70/1173736570.db2.gz PQMPMJKYVLWUOL-UHFFFAOYSA-N -1 3 272.268 1.029 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)O[C@@H]1CC[C@@H](C#N)C1 ZINC001591882554 1173736733 /nfs/dbraw/zinc/73/67/33/1173736733.db2.gz SHEZBZNMDNSZOO-MWLCHTKSSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)O[C@@H]1CC[C@@H](C#N)C1 ZINC001591882554 1173736747 /nfs/dbraw/zinc/73/67/47/1173736747.db2.gz SHEZBZNMDNSZOO-MWLCHTKSSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)c(NCc2nc(C#N)cs2)n1 ZINC001592092318 1173797662 /nfs/dbraw/zinc/79/76/62/1173797662.db2.gz LGTMPHKRDFQYBK-UHFFFAOYSA-N -1 3 298.335 1.510 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)c(NCc2nc(C#N)cs2)n1 ZINC001592092318 1173797669 /nfs/dbraw/zinc/79/76/69/1173797669.db2.gz LGTMPHKRDFQYBK-UHFFFAOYSA-N -1 3 298.335 1.510 20 30 CDEDHM Cc1nc(C(=O)OCCCC#N)ccc1-c1nnn[n-]1 ZINC001592352168 1173864744 /nfs/dbraw/zinc/86/47/44/1173864744.db2.gz NSWNOKQOCFKYTE-UHFFFAOYSA-N -1 3 272.268 1.031 20 30 CDEDHM Cc1nc(C(=O)OCCCC#N)ccc1-c1nn[n-]n1 ZINC001592352168 1173864749 /nfs/dbraw/zinc/86/47/49/1173864749.db2.gz NSWNOKQOCFKYTE-UHFFFAOYSA-N -1 3 272.268 1.031 20 30 CDEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NOCC(F)F ZINC001592633845 1173944296 /nfs/dbraw/zinc/94/42/96/1173944296.db2.gz CXRXPRHSNDRXOA-UHFFFAOYSA-N -1 3 271.202 1.621 20 30 CDEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NOCC(F)F ZINC001592633845 1173944302 /nfs/dbraw/zinc/94/43/02/1173944302.db2.gz CXRXPRHSNDRXOA-UHFFFAOYSA-N -1 3 271.202 1.621 20 30 CDEDHM N#CC1(CNCc2csc(-c3nnn[n-]3)c2)CCC1 ZINC001592669889 1173959446 /nfs/dbraw/zinc/95/94/46/1173959446.db2.gz ONSBDCMZGZDQBZ-UHFFFAOYSA-N -1 3 274.353 1.712 20 30 CDEDHM N#CC1(CNCc2csc(-c3nn[n-]n3)c2)CCC1 ZINC001592669889 1173959450 /nfs/dbraw/zinc/95/94/50/1173959450.db2.gz ONSBDCMZGZDQBZ-UHFFFAOYSA-N -1 3 274.353 1.712 20 30 CDEDHM N#CC1(CNc2ccncc2-c2nnn[n-]2)CCCCC1 ZINC001592670319 1173960834 /nfs/dbraw/zinc/96/08/34/1173960834.db2.gz XERJATZSTCDSOL-UHFFFAOYSA-N -1 3 283.339 1.570 20 30 CDEDHM N#CC1(CNc2ccncc2-c2nn[n-]n2)CCCCC1 ZINC001592670319 1173960835 /nfs/dbraw/zinc/96/08/35/1173960835.db2.gz XERJATZSTCDSOL-UHFFFAOYSA-N -1 3 283.339 1.570 20 30 CDEDHM N#C[C@H]1CC[C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592680943 1173969833 /nfs/dbraw/zinc/96/98/33/1173969833.db2.gz BHINSBHGSMWQNW-WCQYABFASA-N -1 3 296.334 1.218 20 30 CDEDHM N#C[C@H]1CC[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592680943 1173969836 /nfs/dbraw/zinc/96/98/36/1173969836.db2.gz BHINSBHGSMWQNW-WCQYABFASA-N -1 3 296.334 1.218 20 30 CDEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cn2)c(F)c1 ZINC001592696708 1173976183 /nfs/dbraw/zinc/97/61/83/1173976183.db2.gz CFAGLEJKMCOUEU-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cn2)c(F)c1 ZINC001592696708 1173976187 /nfs/dbraw/zinc/97/61/87/1173976187.db2.gz CFAGLEJKMCOUEU-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cnccc1SCc1ccncc1-c1nnn[n-]1 ZINC001592703897 1173977873 /nfs/dbraw/zinc/97/78/73/1173977873.db2.gz GXJUEIHUNIMLJO-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM N#Cc1cnccc1SCc1ccncc1-c1nn[n-]n1 ZINC001592703897 1173977878 /nfs/dbraw/zinc/97/78/78/1173977878.db2.gz GXJUEIHUNIMLJO-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM N#Cc1ncn(Cc2cc(F)cc(F)c2)c1-c1nnn[n-]1 ZINC001592709360 1173980260 /nfs/dbraw/zinc/98/02/60/1173980260.db2.gz CNVGQTQATLNPNM-UHFFFAOYSA-N -1 3 287.233 1.261 20 30 CDEDHM N#CCCOCCN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601068109 1174727078 /nfs/dbraw/zinc/72/70/78/1174727078.db2.gz GZVIOFGBSSAQRH-JTQLQIEISA-N -1 3 295.364 1.561 20 30 CDEDHM C#C[C@H](CC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001602690626 1175356306 /nfs/dbraw/zinc/35/63/06/1175356306.db2.gz XURNNPHPJCESLO-SECBINFHSA-N -1 3 288.286 1.539 20 30 CDEDHM C#C[C@H](CC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001602690626 1175356312 /nfs/dbraw/zinc/35/63/12/1175356312.db2.gz XURNNPHPJCESLO-SECBINFHSA-N -1 3 288.286 1.539 20 30 CDEDHM C#CCC(CC#C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001602696950 1175360403 /nfs/dbraw/zinc/36/04/03/1175360403.db2.gz HZHILFRIOAKCIG-UHFFFAOYSA-N -1 3 279.303 1.468 20 30 CDEDHM C#CCC(CC#C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001602696950 1175360405 /nfs/dbraw/zinc/36/04/05/1175360405.db2.gz HZHILFRIOAKCIG-UHFFFAOYSA-N -1 3 279.303 1.468 20 30 CDEDHM C#CC[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001602699468 1175363447 /nfs/dbraw/zinc/36/34/47/1175363447.db2.gz GZTWFYNNHAIUBT-LLVKDONJSA-N -1 3 268.324 1.501 20 30 CDEDHM C#CC[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001602699468 1175363455 /nfs/dbraw/zinc/36/34/55/1175363455.db2.gz GZTWFYNNHAIUBT-LLVKDONJSA-N -1 3 268.324 1.501 20 30 CDEDHM C#CC[C@H](CCOC)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001602697803 1175363793 /nfs/dbraw/zinc/36/37/93/1175363793.db2.gz SNDMGGSCEKCFPR-LLVKDONJSA-N -1 3 286.339 1.410 20 30 CDEDHM C#CC[C@H](CCOC)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001602697803 1175363798 /nfs/dbraw/zinc/36/37/98/1175363798.db2.gz SNDMGGSCEKCFPR-LLVKDONJSA-N -1 3 286.339 1.410 20 30 CDEDHM C#CCN(CC#C)Cc1cccc(F)c1-c1nnn[n-]1 ZINC001602719793 1175374556 /nfs/dbraw/zinc/37/45/56/1175374556.db2.gz HNXZCMRDFALQDW-UHFFFAOYSA-N -1 3 269.283 1.074 20 30 CDEDHM C#CCN(CC#C)Cc1cccc(F)c1-c1nn[n-]n1 ZINC001602719793 1175374560 /nfs/dbraw/zinc/37/45/60/1175374560.db2.gz HNXZCMRDFALQDW-UHFFFAOYSA-N -1 3 269.283 1.074 20 30 CDEDHM C=C(C)COC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602763234 1175392183 /nfs/dbraw/zinc/39/21/83/1175392183.db2.gz ZIFVHVNZVINFKK-UHFFFAOYSA-N -1 3 258.281 1.908 20 30 CDEDHM C=C(C)COC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602763234 1175392187 /nfs/dbraw/zinc/39/21/87/1175392187.db2.gz ZIFVHVNZVINFKK-UHFFFAOYSA-N -1 3 258.281 1.908 20 30 CDEDHM C=C[C@H](NCc1cc2ccccc2n(C)c1=O)C(=O)[O-] ZINC001602819152 1175416492 /nfs/dbraw/zinc/41/64/92/1175416492.db2.gz OXFABPJWIUPYTN-LBPRGKRZSA-N -1 3 272.304 1.267 20 30 CDEDHM C=CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602839627 1175427913 /nfs/dbraw/zinc/42/79/13/1175427913.db2.gz DGTRVMKUZNWNRD-UHFFFAOYSA-N -1 3 272.312 1.218 20 30 CDEDHM C=CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602839627 1175427918 /nfs/dbraw/zinc/42/79/18/1175427918.db2.gz DGTRVMKUZNWNRD-UHFFFAOYSA-N -1 3 272.312 1.218 20 30 CDEDHM CC(=NN(C)C[C@@H](C)O)c1ccc(-c2nnn[n-]2)cc1F ZINC001602906157 1175448337 /nfs/dbraw/zinc/44/83/37/1175448337.db2.gz MOCSXHBWGITGEP-MRVPVSSYSA-N -1 3 292.318 1.042 20 30 CDEDHM CC(=NN(C)C[C@@H](C)O)c1ccc(-c2nn[n-]n2)cc1F ZINC001602906157 1175448340 /nfs/dbraw/zinc/44/83/40/1175448340.db2.gz MOCSXHBWGITGEP-MRVPVSSYSA-N -1 3 292.318 1.042 20 30 CDEDHM C=CCOC[C@@H](NCc1cnc(F)cc1C)C(=O)[O-] ZINC001602915296 1175451193 /nfs/dbraw/zinc/45/11/93/1175451193.db2.gz TXQAMJAPSULPKB-LLVKDONJSA-N -1 3 268.288 1.275 20 30 CDEDHM 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/nfs/dbraw/zinc/18/11/72/1173181172.db2.gz SUTIOWDKEZESGY-QMMMGPOBSA-N -1 3 260.276 1.398 20 30 CDEDHM C[C@H](CC#N)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001589787746 1173182621 /nfs/dbraw/zinc/18/26/21/1173182621.db2.gz RGTPWZWOHPOYKJ-SNVBAGLBSA-N -1 3 296.334 1.522 20 30 CDEDHM C[C@H](CC#N)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001589787746 1173182626 /nfs/dbraw/zinc/18/26/26/1173182626.db2.gz RGTPWZWOHPOYKJ-SNVBAGLBSA-N -1 3 296.334 1.522 20 30 CDEDHM C[C@@H](NC(=O)NCCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589935118 1173207041 /nfs/dbraw/zinc/20/70/41/1173207041.db2.gz XAKZOYYXKMQRLU-SECBINFHSA-N -1 3 285.311 1.141 20 30 CDEDHM C[C@@H](NC(=O)NCCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589935118 1173207043 /nfs/dbraw/zinc/20/70/43/1173207043.db2.gz XAKZOYYXKMQRLU-SECBINFHSA-N -1 3 285.311 1.141 20 30 CDEDHM C/C=C\COC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590355611 1173369840 /nfs/dbraw/zinc/36/98/40/1173369840.db2.gz SUOWKFJPZZSEBA-ZRMMWKCHSA-N -1 3 297.318 1.668 20 30 CDEDHM C/C=C\COC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590355611 1173369847 /nfs/dbraw/zinc/36/98/47/1173369847.db2.gz SUOWKFJPZZSEBA-ZRMMWKCHSA-N -1 3 297.318 1.668 20 30 CDEDHM CCC#CCOC(=O)c1sccc1-c1nnn[n-]1 ZINC001590355066 1173370790 /nfs/dbraw/zinc/37/07/90/1173370790.db2.gz PDVBAMQDIKKWLY-UHFFFAOYSA-N -1 3 262.294 1.498 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590371597 1173379466 /nfs/dbraw/zinc/37/94/66/1173379466.db2.gz FFQRTFTYSJLASZ-BONVTDFDSA-N -1 3 298.350 1.984 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590371597 1173379472 /nfs/dbraw/zinc/37/94/72/1173379472.db2.gz FFQRTFTYSJLASZ-BONVTDFDSA-N -1 3 298.350 1.984 20 30 CDEDHM CCN(C(=O)c1cccc(-c2nnn[n-]2)c1C)[C@@H](C)C#N ZINC001590675505 1173486471 /nfs/dbraw/zinc/48/64/71/1173486471.db2.gz PHOZSGCPTQSLNT-VIFPVBQESA-N -1 3 284.323 1.549 20 30 CDEDHM CCN(C(=O)c1cccc(-c2nn[n-]n2)c1C)[C@@H](C)C#N ZINC001590675505 1173486474 /nfs/dbraw/zinc/48/64/74/1173486474.db2.gz PHOZSGCPTQSLNT-VIFPVBQESA-N -1 3 284.323 1.549 20 30 CDEDHM CO[C@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591355479 1173624089 /nfs/dbraw/zinc/62/40/89/1173624089.db2.gz YXHJBWDFSWHKQK-NSHDSACASA-N -1 3 284.323 1.354 20 30 CDEDHM CO[C@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591355479 1173624095 /nfs/dbraw/zinc/62/40/95/1173624095.db2.gz YXHJBWDFSWHKQK-NSHDSACASA-N -1 3 284.323 1.354 20 30 CDEDHM Cc1c(C(=O)N[C@]2(C#N)CC2(C)C)cccc1-c1nnn[n-]1 ZINC001591805816 1173705975 /nfs/dbraw/zinc/70/59/75/1173705975.db2.gz IYQGIQZDJKZZJZ-HNNXBMFYSA-N -1 3 296.334 1.597 20 30 CDEDHM Cc1c(C(=O)N[C@]2(C#N)CC2(C)C)cccc1-c1nn[n-]n1 ZINC001591805816 1173705981 /nfs/dbraw/zinc/70/59/81/1173705981.db2.gz IYQGIQZDJKZZJZ-HNNXBMFYSA-N -1 3 296.334 1.597 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(N(C)[C@H](C)CC#N)n1 ZINC001591853910 1173718338 /nfs/dbraw/zinc/71/83/38/1173718338.db2.gz WOFHPTBNIWXJLN-SECBINFHSA-N -1 3 257.301 1.309 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(N(C)[C@H](C)CC#N)n1 ZINC001591853910 1173718344 /nfs/dbraw/zinc/71/83/44/1173718344.db2.gz WOFHPTBNIWXJLN-SECBINFHSA-N -1 3 257.301 1.309 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(NCC2(C#N)CCOCC2)n1 ZINC001591858936 1173722365 /nfs/dbraw/zinc/72/23/65/1173722365.db2.gz UEWDUMMFBSOMIY-UHFFFAOYSA-N -1 3 299.338 1.302 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(NCC2(C#N)CCOCC2)n1 ZINC001591858936 1173722370 /nfs/dbraw/zinc/72/23/70/1173722370.db2.gz UEWDUMMFBSOMIY-UHFFFAOYSA-N -1 3 299.338 1.302 20 30 CDEDHM Cc1cccc(C)c1Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001592224061 1173832787 /nfs/dbraw/zinc/83/27/87/1173832787.db2.gz YARDMGBMDFJGTF-UHFFFAOYSA-N -1 3 279.307 1.600 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1[C@@H]1C=CCCC1 ZINC001592340738 1173861354 /nfs/dbraw/zinc/86/13/54/1173861354.db2.gz JLAJKAULNYUOBW-SECBINFHSA-N -1 3 255.285 1.525 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1[C@@H]1C=CCCC1 ZINC001592340738 1173861360 /nfs/dbraw/zinc/86/13/60/1173861360.db2.gz JLAJKAULNYUOBW-SECBINFHSA-N -1 3 255.285 1.525 20 30 CDEDHM Cn1c(C(=O)OCCC(C)(C)C#N)ccc1-c1nnn[n-]1 ZINC001592551279 1173918295 /nfs/dbraw/zinc/91/82/95/1173918295.db2.gz YBYFAZZXCIDNME-UHFFFAOYSA-N -1 3 288.311 1.302 20 30 CDEDHM Cn1c(C(=O)OCCC(C)(C)C#N)ccc1-c1nn[n-]n1 ZINC001592551279 1173918301 /nfs/dbraw/zinc/91/83/01/1173918301.db2.gz YBYFAZZXCIDNME-UHFFFAOYSA-N -1 3 288.311 1.302 20 30 CDEDHM N#CC1(CNCc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001592670335 1173959827 /nfs/dbraw/zinc/95/98/27/1173959827.db2.gz YBLRQQHJOWAXEQ-UHFFFAOYSA-N -1 3 268.324 1.650 20 30 CDEDHM N#CCCCOC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592676313 1173966501 /nfs/dbraw/zinc/96/65/01/1173966501.db2.gz LBXQCGLBHZWYMU-UHFFFAOYSA-N -1 3 257.253 1.327 20 30 CDEDHM N#CCCCOC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592676313 1173966512 /nfs/dbraw/zinc/96/65/12/1173966512.db2.gz LBXQCGLBHZWYMU-UHFFFAOYSA-N -1 3 257.253 1.327 20 30 CDEDHM N#CCC1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001592673719 1173967331 /nfs/dbraw/zinc/96/73/31/1173967331.db2.gz LUXILFXSTJMHKH-UHFFFAOYSA-N -1 3 269.312 1.392 20 30 CDEDHM N#CCC1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001592673719 1173967335 /nfs/dbraw/zinc/96/73/35/1173967335.db2.gz LUXILFXSTJMHKH-UHFFFAOYSA-N -1 3 269.312 1.392 20 30 CDEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)s1 ZINC001592690773 1173972149 /nfs/dbraw/zinc/97/21/49/1173972149.db2.gz YUPBZRGPUDPYIT-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)s1 ZINC001592690773 1173972157 /nfs/dbraw/zinc/97/21/57/1173972157.db2.gz YUPBZRGPUDPYIT-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1C=C[C@H](CO)C1 ZINC001592700010 1173973811 /nfs/dbraw/zinc/97/38/11/1173973811.db2.gz WVJXTTMOFFUFRT-GXSJLCMTSA-N -1 3 282.307 1.087 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1C=C[C@H](CO)C1 ZINC001592700010 1173973813 /nfs/dbraw/zinc/97/38/13/1173973813.db2.gz WVJXTTMOFFUFRT-GXSJLCMTSA-N -1 3 282.307 1.087 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC[C@@H](O)C1CC1 ZINC001592699478 1173975718 /nfs/dbraw/zinc/97/57/18/1173975718.db2.gz BCIWDFWXFLGUPZ-GFCCVEGCSA-N -1 3 284.323 1.311 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC[C@@H](O)C1CC1 ZINC001592699478 1173975728 /nfs/dbraw/zinc/97/57/28/1173975728.db2.gz BCIWDFWXFLGUPZ-GFCCVEGCSA-N -1 3 284.323 1.311 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1CC[C@H](O)CC1 ZINC001592699860 1173975757 /nfs/dbraw/zinc/97/57/57/1173975757.db2.gz PWRPQTAPOBHDPB-XYPYZODXSA-N -1 3 284.323 1.454 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1CC[C@H](O)CC1 ZINC001592699860 1173975771 /nfs/dbraw/zinc/97/57/71/1173975771.db2.gz PWRPQTAPOBHDPB-XYPYZODXSA-N -1 3 284.323 1.454 20 30 CDEDHM N#Cc1ncn(CC2CCCCC2)c1-c1nnn[n-]1 ZINC001592709962 1173980131 /nfs/dbraw/zinc/98/01/31/1173980131.db2.gz OLNNSHVBUWASQG-UHFFFAOYSA-N -1 3 257.301 1.515 20 30 CDEDHM c1[nH]nc2c1CCCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001593550329 1174122448 /nfs/dbraw/zinc/12/24/48/1174122448.db2.gz NQMAUJSBXMRVFJ-UHFFFAOYSA-N -1 3 294.322 1.742 20 30 CDEDHM N#CCCC[C@@H](N)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001601066972 1174726383 /nfs/dbraw/zinc/72/63/83/1174726383.db2.gz SNUFEQISZBWQFL-GFCCVEGCSA-N -1 3 293.298 1.412 20 30 CDEDHM C#CCN(CC)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001602720608 1175373466 /nfs/dbraw/zinc/37/34/66/1175373466.db2.gz YYCWJDPCJPGXDM-UHFFFAOYSA-N -1 3 276.325 1.415 20 30 CDEDHM C#CCN(CC)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001602720608 1175373470 /nfs/dbraw/zinc/37/34/70/1175373470.db2.gz YYCWJDPCJPGXDM-UHFFFAOYSA-N -1 3 276.325 1.415 20 30 CDEDHM C#CCOCCCOC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001602729401 1175376658 /nfs/dbraw/zinc/37/66/58/1175376658.db2.gz QKVQHXKKNCDEDC-UHFFFAOYSA-N -1 3 286.291 1.063 20 30 CDEDHM C#CCOCCCOC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001602729401 1175376662 /nfs/dbraw/zinc/37/66/62/1175376662.db2.gz QKVQHXKKNCDEDC-UHFFFAOYSA-N -1 3 286.291 1.063 20 30 CDEDHM C=CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602815998 1175415128 /nfs/dbraw/zinc/41/51/28/1175415128.db2.gz GGCRHJNOAORAHL-MRVPVSSYSA-N -1 3 290.283 1.124 20 30 CDEDHM C=CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602815998 1175415132 /nfs/dbraw/zinc/41/51/32/1175415132.db2.gz GGCRHJNOAORAHL-MRVPVSSYSA-N -1 3 290.283 1.124 20 30 CDEDHM C=CCCCCNC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001602838039 1175426749 /nfs/dbraw/zinc/42/67/49/1175426749.db2.gz MKRLMZAEBOOQDG-UHFFFAOYSA-N -1 3 286.339 1.656 20 30 CDEDHM C=CCCN(C)c1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC001602841377 1175428408 /nfs/dbraw/zinc/42/84/08/1175428408.db2.gz WARNJTRTTONZHR-UHFFFAOYSA-N -1 3 287.371 1.794 20 30 CDEDHM C=CCCN(C)c1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC001602841377 1175428412 /nfs/dbraw/zinc/42/84/12/1175428412.db2.gz WARNJTRTTONZHR-UHFFFAOYSA-N -1 3 287.371 1.794 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001602885324 1175444497 /nfs/dbraw/zinc/44/44/97/1175444497.db2.gz ANCCVNPTTFAPBY-OLZOCXBDSA-N -1 3 299.334 1.705 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001602885324 1175444504 /nfs/dbraw/zinc/44/45/04/1175444504.db2.gz ANCCVNPTTFAPBY-OLZOCXBDSA-N -1 3 299.334 1.705 20 30 CDEDHM C[C@@H](C#N)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001602984020 1175471205 /nfs/dbraw/zinc/47/12/05/1175471205.db2.gz QSEKEYJKNJZICO-VIFPVBQESA-N -1 3 274.303 1.597 20 30 CDEDHM C[C@@H](C#N)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001602984020 1175471209 /nfs/dbraw/zinc/47/12/09/1175471209.db2.gz QSEKEYJKNJZICO-VIFPVBQESA-N -1 3 274.303 1.597 20 30 CDEDHM C[C@H](C#N)N(Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001602990134 1175472718 /nfs/dbraw/zinc/47/27/18/1175472718.db2.gz VMZBELSMRDCQTC-SNVBAGLBSA-N -1 3 268.324 1.743 20 30 CDEDHM C[C@H](C#N)N(Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001602990134 1175472721 /nfs/dbraw/zinc/47/27/21/1175472721.db2.gz VMZBELSMRDCQTC-SNVBAGLBSA-N -1 3 268.324 1.743 20 30 CDEDHM C[C@H](CC#N)NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001603442630 1175553395 /nfs/dbraw/zinc/55/33/95/1175553395.db2.gz LDYPLXWHRHDEJJ-MRVPVSSYSA-N -1 3 260.276 1.398 20 30 CDEDHM C[C@H](CC#N)NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001603442630 1175553399 /nfs/dbraw/zinc/55/33/99/1175553399.db2.gz LDYPLXWHRHDEJJ-MRVPVSSYSA-N -1 3 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20 30 CDEDHM COC(=O)c1coc(COC(=O)c2ccc(C#N)[n-]2)c1 ZINC000774865029 575247229 /nfs/dbraw/zinc/24/72/29/575247229.db2.gz YVTQYJKAZHNCFS-UHFFFAOYSA-N -1 3 274.232 1.623 20 30 CDEDHM CCOC(=O)N1CC[C@@H](/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000769718885 575377687 /nfs/dbraw/zinc/37/76/87/575377687.db2.gz WBXIUQGYMVEZSK-MIJYTDESSA-N -1 3 294.307 1.453 20 30 CDEDHM COc1cccc([O-])c1/C=N\Cc1nnnn1CC1CC1 ZINC000769718446 575377922 /nfs/dbraw/zinc/37/79/22/575377922.db2.gz NATJKHUYQRSYHX-CHHVJCJISA-N -1 3 287.323 1.416 20 30 CDEDHM C=CC[C@@H](C)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735410066 575460842 /nfs/dbraw/zinc/46/08/42/575460842.db2.gz SPQUUPPMMCTHLA-SNVBAGLBSA-N -1 3 287.323 1.326 20 30 CDEDHM C=CC[C@@H](C)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735410066 575460843 /nfs/dbraw/zinc/46/08/43/575460843.db2.gz SPQUUPPMMCTHLA-SNVBAGLBSA-N -1 3 287.323 1.326 20 30 CDEDHM C(=NNC1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000735398551 575463515 /nfs/dbraw/zinc/46/35/15/575463515.db2.gz HECQYUDHRZVSTE-UHFFFAOYSA-N -1 3 256.313 1.733 20 30 CDEDHM C(=NNC1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000735398551 575463518 /nfs/dbraw/zinc/46/35/18/575463518.db2.gz HECQYUDHRZVSTE-UHFFFAOYSA-N -1 3 256.313 1.733 20 30 CDEDHM C=CCOC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735437374 575467943 /nfs/dbraw/zinc/46/79/43/575467943.db2.gz GHUSPIQTRSDRAI-UHFFFAOYSA-N -1 3 276.321 1.688 20 30 CDEDHM C=CCOCC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000735437361 575468103 /nfs/dbraw/zinc/46/81/03/575468103.db2.gz FSOZFUBENNUQSJ-UHFFFAOYSA-N -1 3 274.280 1.113 20 30 CDEDHM C=CCOCC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000735437361 575468106 /nfs/dbraw/zinc/46/81/06/575468106.db2.gz FSOZFUBENNUQSJ-UHFFFAOYSA-N -1 3 274.280 1.113 20 30 CDEDHM Cc1ccc(F)c2c1C(=N[N-]c1cccnn1)C(=O)N2 ZINC000735974990 575544845 /nfs/dbraw/zinc/54/48/45/575544845.db2.gz PXLKCXUCLPWHRY-UHFFFAOYSA-N -1 3 271.255 1.692 20 30 CDEDHM COc1cccc([O-])c1/C=N\C[C@H](O)C1CCOCC1 ZINC000736430645 575659370 /nfs/dbraw/zinc/65/93/70/575659370.db2.gz CIWHXFVUCGKRFX-CIKBWMHTSA-N -1 3 279.336 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/nfs/dbraw/zinc/37/19/17/607371917.db2.gz VQDZHKNYRVFACX-VIFPVBQESA-N -1 3 269.312 1.482 20 30 CDEDHM CC(=NN[C@@H](C)CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000819773582 607371919 /nfs/dbraw/zinc/37/19/19/607371919.db2.gz VQDZHKNYRVFACX-VIFPVBQESA-N -1 3 269.312 1.482 20 30 CDEDHM C#CC[C@@H](NCc1c(Cl)n[nH]c1C1CC1)C(=O)[O-] ZINC001602694035 1175359514 /nfs/dbraw/zinc/35/95/14/1175359514.db2.gz FTEPAOYQTPRBSR-SECBINFHSA-N -1 3 267.716 1.507 20 30 CDEDHM CCN(CC#N)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825395687 607669820 /nfs/dbraw/zinc/66/98/20/607669820.db2.gz UOXPYFLCMAXTQH-UHFFFAOYSA-N -1 3 270.296 1.161 20 30 CDEDHM CCN(CC#N)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825395687 607669821 /nfs/dbraw/zinc/66/98/21/607669821.db2.gz UOXPYFLCMAXTQH-UHFFFAOYSA-N -1 3 270.296 1.161 20 30 CDEDHM CCN(CCC#N)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821207030 606081040 /nfs/dbraw/zinc/08/10/40/606081040.db2.gz IHIOGSYNAPNCLX-UHFFFAOYSA-N -1 3 299.338 1.041 20 30 CDEDHM CCN(CCC#N)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821207030 606081048 /nfs/dbraw/zinc/08/10/48/606081048.db2.gz IHIOGSYNAPNCLX-UHFFFAOYSA-N -1 3 299.338 1.041 20 30 CDEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820016646 606168483 /nfs/dbraw/zinc/16/84/83/606168483.db2.gz NNCRWHURIBWROJ-LLVKDONJSA-N -1 3 271.280 1.572 20 30 CDEDHM CC(C)[C@@H](C#N)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820016646 606168484 /nfs/dbraw/zinc/16/84/84/606168484.db2.gz NNCRWHURIBWROJ-LLVKDONJSA-N -1 3 271.280 1.572 20 30 CDEDHM C=CCCOCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819739763 606270850 /nfs/dbraw/zinc/27/08/50/606270850.db2.gz GKQDBGKNSFRBIK-UHFFFAOYSA-N -1 3 291.286 1.537 20 30 CDEDHM C=CCCOCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819739763 606270851 /nfs/dbraw/zinc/27/08/51/606270851.db2.gz GKQDBGKNSFRBIK-UHFFFAOYSA-N -1 3 291.286 1.537 20 30 CDEDHM C(=NNC1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000819718927 606370183 /nfs/dbraw/zinc/37/01/83/606370183.db2.gz UZSUYRJMMJPQHP-UHFFFAOYSA-N -1 3 262.342 1.794 20 30 CDEDHM C=C(C)COCCNc1ncccc1-c1nnn[n-]1 ZINC000819722958 606791395 /nfs/dbraw/zinc/79/13/95/606791395.db2.gz SKMSQYKPYKCEBF-UHFFFAOYSA-N -1 3 260.301 1.266 20 30 CDEDHM C=C(C)COCCNc1ncccc1-c1nn[n-]n1 ZINC000819722958 606791396 /nfs/dbraw/zinc/79/13/96/606791396.db2.gz SKMSQYKPYKCEBF-UHFFFAOYSA-N -1 3 260.301 1.266 20 30 CDEDHM C=C[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819729844 606798854 /nfs/dbraw/zinc/79/88/54/606798854.db2.gz NMFPEAQBZJRLRU-NXEZZACHSA-N -1 3 286.339 1.801 20 30 CDEDHM C=C[C@@H](C)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819729844 606798856 /nfs/dbraw/zinc/79/88/56/606798856.db2.gz NMFPEAQBZJRLRU-NXEZZACHSA-N -1 3 286.339 1.801 20 30 CDEDHM C=C[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819729308 606800105 /nfs/dbraw/zinc/80/01/05/606800105.db2.gz GHTCCAUOFXKYDL-VHSXEESVSA-N -1 3 286.339 1.801 20 30 CDEDHM C=C[C@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819729308 606800108 /nfs/dbraw/zinc/80/01/08/606800108.db2.gz GHTCCAUOFXKYDL-VHSXEESVSA-N -1 3 286.339 1.801 20 30 CDEDHM C(=NNCc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000823861530 607882441 /nfs/dbraw/zinc/88/24/41/607882441.db2.gz LUULMEUKERXRMG-UHFFFAOYSA-N -1 3 278.319 1.990 20 30 CDEDHM C(=NNCc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000823861530 607882442 /nfs/dbraw/zinc/88/24/42/607882442.db2.gz LUULMEUKERXRMG-UHFFFAOYSA-N -1 3 278.319 1.990 20 30 CDEDHM N#Cc1ccc(N2CCc3ccc(-c4nnn[n-]4)cc32)nc1 ZINC000826385475 607936028 /nfs/dbraw/zinc/93/60/28/607936028.db2.gz OEPIDQUGVUFGDW-UHFFFAOYSA-N -1 3 289.302 1.828 20 30 CDEDHM N#Cc1ccc(N2CCc3ccc(-c4nn[n-]n4)cc32)nc1 ZINC000826385475 607936029 /nfs/dbraw/zinc/93/60/29/607936029.db2.gz OEPIDQUGVUFGDW-UHFFFAOYSA-N -1 3 289.302 1.828 20 30 CDEDHM Fc1cnc(N=NCc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000826378748 608016682 /nfs/dbraw/zinc/01/66/82/608016682.db2.gz YQJLZBBCWZZWFE-UHFFFAOYSA-N -1 3 284.258 1.242 20 30 CDEDHM Fc1cnc(N=NCc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000826378748 608016683 /nfs/dbraw/zinc/01/66/83/608016683.db2.gz YQJLZBBCWZZWFE-UHFFFAOYSA-N -1 3 284.258 1.242 20 30 CDEDHM 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/nfs/dbraw/zinc/39/00/56/1175390056.db2.gz LEHIHOHTYUBLJV-UHFFFAOYSA-N -1 3 287.327 1.658 20 30 CDEDHM Cc1nnc(N[C@@H]2CCC[C@H]2C#N)c(-c2nnn[n-]2)c1C ZINC000822515498 606242080 /nfs/dbraw/zinc/24/20/80/606242080.db2.gz NDSVDDQXKMHREY-VHSXEESVSA-N -1 3 284.327 1.378 20 30 CDEDHM Cc1nnc(N[C@@H]2CCC[C@H]2C#N)c(-c2nn[n-]n2)c1C ZINC000822515498 606242081 /nfs/dbraw/zinc/24/20/81/606242081.db2.gz NDSVDDQXKMHREY-VHSXEESVSA-N -1 3 284.327 1.378 20 30 CDEDHM C=CC(C)(C)CCNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC001602786982 1175402711 /nfs/dbraw/zinc/40/27/11/1175402711.db2.gz SZCBFCGMYJHODP-UHFFFAOYSA-N -1 3 288.355 1.537 20 30 CDEDHM C=CC(C)(C)CCNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC001602786982 1175402715 /nfs/dbraw/zinc/40/27/15/1175402715.db2.gz SZCBFCGMYJHODP-UHFFFAOYSA-N -1 3 288.355 1.537 20 30 CDEDHM N#CCCCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822807143 606759459 /nfs/dbraw/zinc/75/94/59/606759459.db2.gz ZQEPUCRYZALEMO-UHFFFAOYSA-N -1 3 293.233 1.605 20 30 CDEDHM N#CCCCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822807143 606759461 /nfs/dbraw/zinc/75/94/61/606759461.db2.gz ZQEPUCRYZALEMO-UHFFFAOYSA-N -1 3 293.233 1.605 20 30 CDEDHM N#CC1(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCC1 ZINC000822801654 606801566 /nfs/dbraw/zinc/80/15/66/606801566.db2.gz LQQYZFZLHKTKEC-SREVYHEPSA-N -1 3 295.302 1.869 20 30 CDEDHM N#CC1(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCC1 ZINC000822801654 606801568 /nfs/dbraw/zinc/80/15/68/606801568.db2.gz LQQYZFZLHKTKEC-SREVYHEPSA-N -1 3 295.302 1.869 20 30 CDEDHM CCc1nnc(N[C@H](C)CC#N)c(-c2nnn[n-]2)c1CC ZINC000821529153 606929249 /nfs/dbraw/zinc/92/92/49/606929249.db2.gz UJEJTUQKNADBQO-MRVPVSSYSA-N -1 3 286.343 1.496 20 30 CDEDHM CCc1nnc(N[C@H](C)CC#N)c(-c2nn[n-]n2)c1CC ZINC000821529153 606929250 /nfs/dbraw/zinc/92/92/50/606929250.db2.gz UJEJTUQKNADBQO-MRVPVSSYSA-N -1 3 286.343 1.496 20 30 CDEDHM N#Cc1nccn1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000826388109 608013179 /nfs/dbraw/zinc/01/31/79/608013179.db2.gz IRIFRKHVPAKZKR-UHFFFAOYSA-N -1 3 269.243 1.122 20 30 CDEDHM N#Cc1nccn1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000826388109 608013180 /nfs/dbraw/zinc/01/31/80/608013180.db2.gz IRIFRKHVPAKZKR-UHFFFAOYSA-N -1 3 269.243 1.122 20 30 CDEDHM C=CCCC(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000823888189 608058028 /nfs/dbraw/zinc/05/80/28/608058028.db2.gz GXDXFMGKDXDCQK-UHFFFAOYSA-N -1 3 292.320 1.620 20 30 CDEDHM C=CCCC(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823888189 608058029 /nfs/dbraw/zinc/05/80/29/608058029.db2.gz GXDXFMGKDXDCQK-UHFFFAOYSA-N -1 3 292.320 1.620 20 30 CDEDHM CC#CCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000823937080 608102308 /nfs/dbraw/zinc/10/23/08/608102308.db2.gz HHFYHYOROCFMDX-UHFFFAOYSA-N -1 3 299.334 1.164 20 30 CDEDHM CC#CCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823937080 608102309 /nfs/dbraw/zinc/10/23/09/608102309.db2.gz HHFYHYOROCFMDX-UHFFFAOYSA-N -1 3 299.334 1.164 20 30 CDEDHM C[C@H](NCC1(C#N)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824576876 608132098 /nfs/dbraw/zinc/13/20/98/608132098.db2.gz DRQLSIJAYZHMGN-VIFPVBQESA-N -1 3 286.314 1.960 20 30 CDEDHM C[C@H](NCC1(C#N)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824576876 608132099 /nfs/dbraw/zinc/13/20/99/608132099.db2.gz DRQLSIJAYZHMGN-VIFPVBQESA-N -1 3 286.314 1.960 20 30 CDEDHM c1cc(-c2nnn[n-]2)ccc1N=NCC[C@H]1CCOC1 ZINC000823867501 608228607 /nfs/dbraw/zinc/22/86/07/608228607.db2.gz BDKCEAAYJDPEBJ-JTQLQIEISA-N -1 3 272.312 1.691 20 30 CDEDHM c1cc(-c2nn[n-]n2)ccc1N=NCC[C@H]1CCOC1 ZINC000823867501 608228609 /nfs/dbraw/zinc/22/86/09/608228609.db2.gz BDKCEAAYJDPEBJ-JTQLQIEISA-N -1 3 272.312 1.691 20 30 CDEDHM Cn1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826362667 608288246 /nfs/dbraw/zinc/28/82/46/608288246.db2.gz CQJQDVHZTOSFNQ-WAYWQWQTSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826362667 608288247 /nfs/dbraw/zinc/28/82/47/608288247.db2.gz CQJQDVHZTOSFNQ-WAYWQWQTSA-N -1 3 280.291 1.496 20 30 CDEDHM CC(CCCCO)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824402425 608317458 /nfs/dbraw/zinc/31/74/58/608317458.db2.gz WLXZMMJQIQPYHL-UHFFFAOYSA-N -1 3 274.328 1.817 20 30 CDEDHM CC(CCCCO)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824402425 608317460 /nfs/dbraw/zinc/31/74/60/608317460.db2.gz WLXZMMJQIQPYHL-UHFFFAOYSA-N -1 3 274.328 1.817 20 30 CDEDHM CCN(Cc1ccc(-c2nnn[n-]2)s1)C[C@H](C)C#N ZINC000825435166 608597845 /nfs/dbraw/zinc/59/78/45/608597845.db2.gz OBEVHHYIZOOXTL-SECBINFHSA-N -1 3 276.369 1.910 20 30 CDEDHM CCN(Cc1ccc(-c2nn[n-]n2)s1)C[C@H](C)C#N ZINC000825435166 608597847 /nfs/dbraw/zinc/59/78/47/608597847.db2.gz OBEVHHYIZOOXTL-SECBINFHSA-N -1 3 276.369 1.910 20 30 CDEDHM COCCN(CCC#N)Cc1cc(-c2nnn[n-]2)cs1 ZINC000826158001 608680681 /nfs/dbraw/zinc/68/06/81/608680681.db2.gz VPYBCYQJNVMVKO-UHFFFAOYSA-N -1 3 292.368 1.290 20 30 CDEDHM COCCN(CCC#N)Cc1cc(-c2nn[n-]n2)cs1 ZINC000826158001 608680684 /nfs/dbraw/zinc/68/06/84/608680684.db2.gz VPYBCYQJNVMVKO-UHFFFAOYSA-N -1 3 292.368 1.290 20 30 CDEDHM C=CCCC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000823894459 609231889 /nfs/dbraw/zinc/23/18/89/609231889.db2.gz QONQZVXWNHHEQE-VIFPVBQESA-N -1 3 274.328 1.669 20 30 CDEDHM C=CCCC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000823894459 609231891 /nfs/dbraw/zinc/23/18/91/609231891.db2.gz QONQZVXWNHHEQE-VIFPVBQESA-N -1 3 274.328 1.669 20 30 CDEDHM O=C(C=Cc1cncnc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402831 609274986 /nfs/dbraw/zinc/27/49/86/609274986.db2.gz CWYPGPFQVLRMIK-RJRFIUFISA-N -1 3 296.265 1.692 20 30 CDEDHM O=C(C=Cc1cncnc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402831 609274987 /nfs/dbraw/zinc/27/49/87/609274987.db2.gz CWYPGPFQVLRMIK-RJRFIUFISA-N -1 3 296.265 1.692 20 30 CDEDHM Cc1ccnc(N(C)[C@H](C)CC#N)c1-c1nnn[n-]1 ZINC000826309393 609567099 /nfs/dbraw/zinc/56/70/99/609567099.db2.gz NUTSZRFYWYHUIF-SECBINFHSA-N -1 3 257.301 1.309 20 30 CDEDHM Cc1ccnc(N(C)[C@H](C)CC#N)c1-c1nn[n-]n1 ZINC000826309393 609567102 /nfs/dbraw/zinc/56/71/02/609567102.db2.gz NUTSZRFYWYHUIF-SECBINFHSA-N -1 3 257.301 1.309 20 30 CDEDHM CN(C(=O)c1ccccc1[O-])C1CN(C(=O)C#CC2CC2)C1 ZINC000953763274 615906499 /nfs/dbraw/zinc/90/64/99/615906499.db2.gz XZBHYOQGFJFERP-UHFFFAOYSA-N -1 3 298.342 1.088 20 30 CDEDHM O=C1[C@@H](NCc2c(Cl)cncc2Cl)CCCN1[O-] ZINC000895156969 619371642 /nfs/dbraw/zinc/37/16/42/619371642.db2.gz JLXAOVVTNYYHIW-JTQLQIEISA-N -1 3 290.150 1.858 20 30 CDEDHM O=C1[C@H](NCc2ccc(Cl)cn2)CCCN1[O-] ZINC000895158134 619373912 /nfs/dbraw/zinc/37/39/12/619373912.db2.gz XBIJAERAQIFGQJ-SNVBAGLBSA-N -1 3 255.705 1.205 20 30 CDEDHM COc1ccsc1CN[C@H]1CCCN([O-])C1=O ZINC000895163370 619387105 /nfs/dbraw/zinc/38/71/05/619387105.db2.gz UASVUVDTAWNERR-QMMMGPOBSA-N -1 3 256.327 1.227 20 30 CDEDHM O=C(c1cc(=O)[nH]cn1)N([O-])Cc1ccc(F)cc1 ZINC000900094786 622694900 /nfs/dbraw/zinc/69/49/00/622694900.db2.gz RPHPZMAGJOOSSW-UHFFFAOYSA-N -1 3 263.228 1.353 20 30 CDEDHM O=C(C[C@@H]1COC(=O)C1)N([O-])Cc1ccc(F)cc1 ZINC000904172619 626209867 /nfs/dbraw/zinc/20/98/67/626209867.db2.gz AJFKWCUQYHTDIN-JTQLQIEISA-N -1 3 267.256 1.497 20 30 CDEDHM COC(=O)N[C@H](C(=O)N([O-])Cc1ccc(F)cc1)C(C)C ZINC000904175493 626210925 /nfs/dbraw/zinc/21/09/25/626210925.db2.gz SNVLQQCXZBXFGV-LBPRGKRZSA-N -1 3 298.314 1.924 20 30 CDEDHM CCCCN([O-])C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000904208281 626212639 /nfs/dbraw/zinc/21/26/39/626212639.db2.gz SYOPREUYLICFBU-UHFFFAOYSA-N -1 3 297.355 1.259 20 30 CDEDHM CCCCN([O-])C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000904207773 626212919 /nfs/dbraw/zinc/21/29/19/626212919.db2.gz BHFZPHQLVHLWBL-TXEJJXNPSA-N -1 3 296.367 1.570 20 30 CDEDHM CCCCN([O-])C(=O)C1=NN(CC(C)C)C(=O)CC1 ZINC000904212110 626226283 /nfs/dbraw/zinc/22/62/83/626226283.db2.gz JRDMJBMEUBCXAT-UHFFFAOYSA-N -1 3 269.345 1.639 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC000904214904 626227386 /nfs/dbraw/zinc/22/73/86/626227386.db2.gz RCAYHXJSEYFYMC-UTUOFQBUSA-N -1 3 268.357 1.699 20 30 CDEDHM CCCCN([O-])C(=O)c1cn(-c2cccc(OC)c2)nn1 ZINC000904214633 626227424 /nfs/dbraw/zinc/22/74/24/626227424.db2.gz HMIVKIUHTWWGTF-UHFFFAOYSA-N -1 3 290.323 1.907 20 30 CDEDHM C=CCC[C@H](NC(=O)[C@H](C)N1CCCCCC1)C(=O)[O-] ZINC000909711415 628636329 /nfs/dbraw/zinc/63/63/29/628636329.db2.gz AYKMBMZOWYBVES-STQMWFEESA-N -1 3 282.384 1.787 20 30 CDEDHM CCOc1ccc(C=NN2CC(=O)[N-]C2=O)cc1OCC ZINC000920987693 632867042 /nfs/dbraw/zinc/86/70/42/632867042.db2.gz QMYXHGXQFLNCBL-UHFFFAOYSA-N -1 3 291.307 1.370 20 30 CDEDHM CCOC(=O)c1[n-]cnc1NC(=O)C(C)(C)C#N ZINC001143395365 1158823741 /nfs/dbraw/zinc/82/37/41/1158823741.db2.gz VQXNOTNFHMXSLS-UHFFFAOYSA-N -1 3 250.258 1.075 20 30 CDEDHM CCOC(=O)c1nc[n-]c1NC(=O)C(C)(C)C#N ZINC001143395365 1158823753 /nfs/dbraw/zinc/82/37/53/1158823753.db2.gz VQXNOTNFHMXSLS-UHFFFAOYSA-N -1 3 250.258 1.075 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)CCCCC#N)n1 ZINC001605529344 1163599099 /nfs/dbraw/zinc/59/90/99/1163599099.db2.gz DGYIMZWEMIRFFN-UHFFFAOYSA-N -1 3 285.311 1.593 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)CCCCC#N)n1 ZINC001605529344 1163599105 /nfs/dbraw/zinc/59/91/05/1163599105.db2.gz DGYIMZWEMIRFFN-UHFFFAOYSA-N -1 3 285.311 1.593 20 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/nfs/dbraw/zinc/87/72/41/1163877241.db2.gz QYNZUWSNDVYDQH-GWCFXTLKSA-N -1 3 296.334 1.679 20 30 CDEDHM N#Cc1cccn(Cc2cccc(-c3nnn[n-]3)c2F)c1=O ZINC001606389692 1163887356 /nfs/dbraw/zinc/88/73/56/1163887356.db2.gz VAYCAIAZDCCQLZ-UHFFFAOYSA-N -1 3 296.265 1.087 20 30 CDEDHM N#Cc1cccn(Cc2cccc(-c3nn[n-]n3)c2F)c1=O ZINC001606389692 1163887363 /nfs/dbraw/zinc/88/73/63/1163887363.db2.gz VAYCAIAZDCCQLZ-UHFFFAOYSA-N -1 3 296.265 1.087 20 30 CDEDHM c1cn(N=C2CCCCc3cc(-c4nnn[n-]4)ccc32)nn1 ZINC001607132950 1164113394 /nfs/dbraw/zinc/11/33/94/1164113394.db2.gz KDIPCMBCKSYOJE-UHFFFAOYSA-N -1 3 294.322 1.437 20 30 CDEDHM c1cn(N=C2CCCCc3cc(-c4nn[n-]n4)ccc32)nn1 ZINC001607132950 1164113397 /nfs/dbraw/zinc/11/33/97/1164113397.db2.gz KDIPCMBCKSYOJE-UHFFFAOYSA-N -1 3 294.322 1.437 20 30 CDEDHM CC(C)(C#N)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609072549 1164757951 /nfs/dbraw/zinc/75/79/51/1164757951.db2.gz VGUCTDKFKLWPQS-UHFFFAOYSA-N -1 3 288.286 1.172 20 30 CDEDHM CC(C)(C#N)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609072549 1164757956 /nfs/dbraw/zinc/75/79/56/1164757956.db2.gz VGUCTDKFKLWPQS-UHFFFAOYSA-N -1 3 288.286 1.172 20 30 CDEDHM C[C@@H](CCO)Sc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609111608 1164776507 /nfs/dbraw/zinc/77/65/07/1164776507.db2.gz ZRXHHNJQZWXDPG-QMMMGPOBSA-N -1 3 275.337 1.601 20 30 CDEDHM C[C@@H](CCO)Sc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609111608 1164776513 /nfs/dbraw/zinc/77/65/13/1164776513.db2.gz ZRXHHNJQZWXDPG-QMMMGPOBSA-N -1 3 275.337 1.601 20 30 CDEDHM C[C@H](NN=Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001609125781 1164784026 /nfs/dbraw/zinc/78/40/26/1164784026.db2.gz PQVQQMQKHHKFMD-YFKPBYRVSA-N -1 3 290.274 1.803 20 30 CDEDHM Cc1nc(-c2nnn[n-]2)c(NNC=C2CC2(F)F)o1 ZINC001609446186 1164950545 /nfs/dbraw/zinc/95/05/45/1164950545.db2.gz PULQQADGISLJAP-RXMQYKEDSA-N -1 3 269.215 1.216 20 30 CDEDHM Cc1nc(-c2nn[n-]n2)c(NNC=C2CC2(F)F)o1 ZINC001609446186 1164950552 /nfs/dbraw/zinc/95/05/52/1164950552.db2.gz PULQQADGISLJAP-RXMQYKEDSA-N -1 3 269.215 1.216 20 30 CDEDHM 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CCNN=C(C)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001590745515 1173505700 /nfs/dbraw/zinc/50/57/00/1173505700.db2.gz XIQZYNZRQLHHHE-UHFFFAOYSA-N -1 3 264.720 1.854 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCC#N ZINC001591493706 1173664341 /nfs/dbraw/zinc/66/43/41/1173664341.db2.gz HOENTTCIAPXTDV-UHFFFAOYSA-N -1 3 287.279 1.475 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCC#N ZINC001591493706 1173664347 /nfs/dbraw/zinc/66/43/47/1173664347.db2.gz HOENTTCIAPXTDV-UHFFFAOYSA-N -1 3 287.279 1.475 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H](C#N)C1 ZINC001591861296 1173725698 /nfs/dbraw/zinc/72/56/98/1173725698.db2.gz AFPCJVOEDBEBTA-LLVKDONJSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H](C#N)C1 ZINC001591861296 1173725706 /nfs/dbraw/zinc/72/57/06/1173725706.db2.gz AFPCJVOEDBEBTA-LLVKDONJSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1cc(C(=O)N(C)[C@H](C)C#N)cc(C)c1-c1nnn[n-]1 ZINC001591908116 1173744585 /nfs/dbraw/zinc/74/45/85/1173744585.db2.gz PENDFSYXQXDQAI-SNVBAGLBSA-N -1 3 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290.286 1.991 20 30 CDEDHM N#Cc1cc(NC(=O)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001592690062 1173970322 /nfs/dbraw/zinc/97/03/22/1173970322.db2.gz KIFCYVJFXKYHJU-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM N#Cc1ccc(NC(=O)CCCF)cc1-c1nnn[n-]1 ZINC001592695587 1173970834 /nfs/dbraw/zinc/97/08/34/1173970834.db2.gz XPBPDOIYBSMMOS-UHFFFAOYSA-N -1 3 274.259 1.427 20 30 CDEDHM N#Cc1ccc(NC(=O)CCCF)cc1-c1nn[n-]n1 ZINC001592695587 1173970839 /nfs/dbraw/zinc/97/08/39/1173970839.db2.gz XPBPDOIYBSMMOS-UHFFFAOYSA-N -1 3 274.259 1.427 20 30 CDEDHM N#Cc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cn1 ZINC001592689426 1173971113 /nfs/dbraw/zinc/97/11/13/1173971113.db2.gz BTMRJPUMHZFXCO-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cn1 ZINC001592689426 1173971117 /nfs/dbraw/zinc/97/11/17/1173971117.db2.gz BTMRJPUMHZFXCO-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ncn1 ZINC001592690202 1173971161 /nfs/dbraw/zinc/97/11/61/1173971161.db2.gz PQZZRKWWLOUBQD-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC001592690202 1173971165 /nfs/dbraw/zinc/97/11/65/1173971165.db2.gz PQZZRKWWLOUBQD-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1ccncc1 ZINC001592699722 1173975362 /nfs/dbraw/zinc/97/53/62/1173975362.db2.gz JPGCWSJCIFFYQF-UHFFFAOYSA-N -1 3 291.318 1.788 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1ccncc1 ZINC001592699722 1173975365 /nfs/dbraw/zinc/97/53/65/1173975365.db2.gz JPGCWSJCIFFYQF-UHFFFAOYSA-N -1 3 291.318 1.788 20 30 CDEDHM O=C(C#CC1CC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001592766940 1173988048 /nfs/dbraw/zinc/98/80/48/1173988048.db2.gz WMORAZGWZRZPJE-UHFFFAOYSA-N -1 3 279.303 1.169 20 30 CDEDHM O=C(C#CC1CC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001592766940 1173988056 /nfs/dbraw/zinc/98/80/56/1173988056.db2.gz WMORAZGWZRZPJE-UHFFFAOYSA-N -1 3 279.303 1.169 20 30 CDEDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CON=CC1CC1 ZINC001593467686 1174078039 /nfs/dbraw/zinc/07/80/39/1174078039.db2.gz SNMGLDQUXUJPAR-UHFFFAOYSA-N -1 3 288.267 1.687 20 30 CDEDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CON=CC1CC1 ZINC001593467686 1174078046 /nfs/dbraw/zinc/07/80/46/1174078046.db2.gz SNMGLDQUXUJPAR-UHFFFAOYSA-N -1 3 288.267 1.687 20 30 CDEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H]1C[C@H](C(=O)[O-])N(C)C1 ZINC001600075269 1174352879 /nfs/dbraw/zinc/35/28/79/1174352879.db2.gz QGAZCVYUNPDNAM-DGCLKSJQSA-N -1 3 288.303 1.181 20 30 CDEDHM C#C[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001602689384 1175356198 /nfs/dbraw/zinc/35/61/98/1175356198.db2.gz FFKWWUWBFXAJIG-MRVPVSSYSA-N -1 3 272.268 1.233 20 30 CDEDHM C=C(C)CNS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001602763036 1175392338 /nfs/dbraw/zinc/39/23/38/1175392338.db2.gz VBPIBQWSQQHVRS-UHFFFAOYSA-N -1 3 293.352 1.030 20 30 CDEDHM C=C(C)CNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001602763036 1175392340 /nfs/dbraw/zinc/39/23/40/1175392340.db2.gz VBPIBQWSQQHVRS-UHFFFAOYSA-N -1 3 293.352 1.030 20 30 CDEDHM C=CCCONC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001602846144 1175432368 /nfs/dbraw/zinc/43/23/68/1175432368.db2.gz CFBNRJHMUKIMFX-UHFFFAOYSA-N -1 3 273.296 1.413 20 30 CDEDHM C=CCCONC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001602846144 1175432371 /nfs/dbraw/zinc/43/23/71/1175432371.db2.gz CFBNRJHMUKIMFX-UHFFFAOYSA-N -1 3 273.296 1.413 20 30 CDEDHM C=CCN1CC[C@H](Nc2cc(-c3nnn[n-]3)ccc2C)C1=O ZINC001602862549 1175438331 /nfs/dbraw/zinc/43/83/31/1175438331.db2.gz JXWGBBGWFWBECY-LBPRGKRZSA-N -1 3 298.350 1.374 20 30 CDEDHM C=CCN1CC[C@H](Nc2cc(-c3nn[n-]n3)ccc2C)C1=O ZINC001602862549 1175438336 /nfs/dbraw/zinc/43/83/36/1175438336.db2.gz JXWGBBGWFWBECY-LBPRGKRZSA-N -1 3 298.350 1.374 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001602888008 1175444749 /nfs/dbraw/zinc/44/47/49/1175444749.db2.gz GVZLECMVAZOAAA-ZJUUUORDSA-N -1 3 258.285 1.017 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001602888008 1175444755 /nfs/dbraw/zinc/44/47/55/1175444755.db2.gz GVZLECMVAZOAAA-ZJUUUORDSA-N -1 3 258.285 1.017 20 30 CDEDHM C[C@@H](C#N)CN(C)C(=O)c1cscc1-c1nnn[n-]1 ZINC001602982955 1175472064 /nfs/dbraw/zinc/47/20/64/1175472064.db2.gz BTQNYZSOELLYPN-ZETCQYMHSA-N -1 3 276.325 1.160 20 30 CDEDHM C[C@@H](C#N)CN(C)C(=O)c1cscc1-c1nn[n-]n1 ZINC001602982955 1175472065 /nfs/dbraw/zinc/47/20/65/1175472065.db2.gz BTQNYZSOELLYPN-ZETCQYMHSA-N -1 3 276.325 1.160 20 30 CDEDHM CC(C)[C@H](C#N)OC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001603200692 1175514003 /nfs/dbraw/zinc/51/40/03/1175514003.db2.gz JQXNGCWQMTUTIP-NSHDSACASA-N -1 3 289.270 1.711 20 30 CDEDHM CC(C)[C@H](C#N)OC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001603200692 1175514006 /nfs/dbraw/zinc/51/40/06/1175514006.db2.gz JQXNGCWQMTUTIP-NSHDSACASA-N -1 3 289.270 1.711 20 30 CDEDHM C[C@@H](Nc1cncc(C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001603685858 1175596976 /nfs/dbraw/zinc/59/69/76/1175596976.db2.gz KTLUXOMLRYSFIZ-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@H](Nc1cncc(C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001603685858 1175596985 /nfs/dbraw/zinc/59/69/85/1175596985.db2.gz KTLUXOMLRYSFIZ-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@]1(C#N)CCN(CCOc2ccccc2-c2nnn[n-]2)C1 ZINC001603738038 1175614275 /nfs/dbraw/zinc/61/42/75/1175614275.db2.gz YATYZFCFNVMVSX-OAHLLOKOSA-N -1 3 298.350 1.481 20 30 CDEDHM C[C@]1(C#N)CCN(CCOc2ccccc2-c2nn[n-]n2)C1 ZINC001603738038 1175614278 /nfs/dbraw/zinc/61/42/78/1175614278.db2.gz YATYZFCFNVMVSX-OAHLLOKOSA-N -1 3 298.350 1.481 20 30 CDEDHM CCC(=NOCCOC)c1cccc(-c2nnn[n-]2)c1 ZINC001603965103 1175700753 /nfs/dbraw/zinc/70/07/53/1175700753.db2.gz IYZVWBQUHXLCFF-UHFFFAOYSA-N -1 3 275.312 1.644 20 30 CDEDHM CCC(=NOCCOC)c1cccc(-c2nn[n-]n2)c1 ZINC001603965103 1175700761 /nfs/dbraw/zinc/70/07/61/1175700761.db2.gz IYZVWBQUHXLCFF-UHFFFAOYSA-N -1 3 275.312 1.644 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001604013681 1175720095 /nfs/dbraw/zinc/72/00/95/1175720095.db2.gz MIHBGGQBULCDTI-NSHDSACASA-N -1 3 299.338 1.989 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001604013681 1175720101 /nfs/dbraw/zinc/72/01/01/1175720101.db2.gz MIHBGGQBULCDTI-NSHDSACASA-N -1 3 299.338 1.989 20 30 CDEDHM C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001756826952 1186190658 /nfs/dbraw/zinc/19/06/58/1186190658.db2.gz QNDWPUGBZKFYDG-WDEREUQCSA-N -1 3 293.371 1.174 20 30 CDEDHM C#CCC[C@H](O)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC001609020370 1164728874 /nfs/dbraw/zinc/72/88/74/1164728874.db2.gz ZPAZABGCHMCKQE-JTQLQIEISA-N -1 3 275.287 1.192 20 30 CDEDHM CC#CCOc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC001609060470 1164752992 /nfs/dbraw/zinc/75/29/92/1164752992.db2.gz MMZQVKIIECVVHI-UHFFFAOYSA-N -1 3 278.699 1.931 20 30 CDEDHM CC#CCOc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC001609060470 1164752999 /nfs/dbraw/zinc/75/29/99/1164752999.db2.gz MMZQVKIIECVVHI-UHFFFAOYSA-N -1 3 278.699 1.931 20 30 CDEDHM Cc1ccc(OCC(=O)N[C@H]2CCCN([O-])C2=O)cc1C ZINC000816755501 736510162 /nfs/dbraw/zinc/51/01/62/736510162.db2.gz BNRVNCORJPBSML-ZDUSSCGKSA-N -1 3 292.335 1.179 20 30 CDEDHM COCCC1(C(=O)N[C@@H]2CCCN([O-])C2=O)CCCC1 ZINC000816755842 738432899 /nfs/dbraw/zinc/43/28/99/738432899.db2.gz KCHCVEZVAJITHT-LLVKDONJSA-N -1 3 284.356 1.080 20 30 CDEDHM C=C(C)C[C@H]([N-]S(=O)(=O)CCCF)C(=O)OCC ZINC000882645126 736544788 /nfs/dbraw/zinc/54/47/88/736544788.db2.gz VRBUEMXPSXKQSC-JTQLQIEISA-N -1 3 281.349 1.163 20 30 CDEDHM CC(C)Nc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cn1 ZINC000848134611 736616031 /nfs/dbraw/zinc/61/60/31/736616031.db2.gz WRDQRTXSKPYQOC-NSHDSACASA-N -1 3 292.339 1.012 20 30 CDEDHM CC#CC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000801175686 738438037 /nfs/dbraw/zinc/43/80/37/738438037.db2.gz VXRLCTITPGZQGA-UHFFFAOYSA-N -1 3 257.249 1.311 20 30 CDEDHM CCCCCCOCC(=O)N[C@H]1CCCN([O-])C1=O ZINC000848139348 738450315 /nfs/dbraw/zinc/45/03/15/738450315.db2.gz UMZHJDNMKLFPNY-NSHDSACASA-N -1 3 272.345 1.080 20 30 CDEDHM Cc1cn(CCOc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000826316849 736691018 /nfs/dbraw/zinc/69/10/18/736691018.db2.gz BDFWWKMFTYLIET-UHFFFAOYSA-N -1 3 294.318 1.927 20 30 CDEDHM Cc1cn(CCOc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000826316849 736691020 /nfs/dbraw/zinc/69/10/20/736691020.db2.gz BDFWWKMFTYLIET-UHFFFAOYSA-N -1 3 294.318 1.927 20 30 CDEDHM CCCc1nc(C)c(C(=O)N[C@H]2CCCN([O-])C2=O)o1 ZINC000848133430 736729401 /nfs/dbraw/zinc/72/94/01/736729401.db2.gz YRYUXVYYWHYGCH-VIFPVBQESA-N -1 3 281.312 1.046 20 30 CDEDHM C#CC1(F)CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000881940200 736815922 /nfs/dbraw/zinc/81/59/22/736815922.db2.gz CGGQRBUFLHNBGG-UHFFFAOYSA-N -1 3 253.660 1.843 20 30 CDEDHM CN(CC(C)(C)C#N)C(=O)c1nnc2ccccc2c1[O-] ZINC000817611612 736826303 /nfs/dbraw/zinc/82/63/03/736826303.db2.gz SWNMLYJHGIEWJG-UHFFFAOYSA-N -1 3 284.319 1.957 20 30 CDEDHM C=CCC(C)(C)C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000867303601 736994024 /nfs/dbraw/zinc/99/40/24/736994024.db2.gz BHTZRJHARGGTPH-UHFFFAOYSA-N -1 3 268.404 1.151 20 30 CDEDHM Cc1cccc(S(=O)(=O)[N-]C(CF)CF)c1C#N ZINC000885416739 737034690 /nfs/dbraw/zinc/03/46/90/737034690.db2.gz LXQQCCZEUHRPJX-UHFFFAOYSA-N -1 3 274.292 1.453 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccn(C2CCCC2)n1 ZINC000816758318 737133830 /nfs/dbraw/zinc/13/38/30/737133830.db2.gz MTZDVKPUZRKSEH-GFCCVEGCSA-N -1 3 292.339 1.108 20 30 CDEDHM CN(CC#N)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000985278033 737148134 /nfs/dbraw/zinc/14/81/34/737148134.db2.gz UUUQYGMUKPSXJH-UHFFFAOYSA-N -1 3 273.336 1.452 20 30 CDEDHM C[C@@H]1CSCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000794901337 737202102 /nfs/dbraw/zinc/20/21/02/737202102.db2.gz LWSJISAIRNGALS-SNVBAGLBSA-N -1 3 284.406 1.845 20 30 CDEDHM C#Cc1cccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000878116713 738489272 /nfs/dbraw/zinc/48/92/72/738489272.db2.gz QQWHYTGHXFYRCU-LBPRGKRZSA-N -1 3 273.292 1.170 20 30 CDEDHM C=CC[C@@H](OC(=O)c1c[n-]c(C(=O)OC)c1)C(=O)OC ZINC000884520863 737297026 /nfs/dbraw/zinc/29/70/26/737297026.db2.gz HRGCNNPKDIKTJM-SNVBAGLBSA-N -1 3 281.264 1.076 20 30 CDEDHM N#Cc1cc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c[nH]1 ZINC000837687153 737443249 /nfs/dbraw/zinc/44/32/49/737443249.db2.gz BFEWUWYAYWWQMY-UHFFFAOYSA-N -1 3 284.275 1.616 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H]1CCCCCC(=O)C1 ZINC000848132719 737567154 /nfs/dbraw/zinc/56/71/54/737567154.db2.gz OUEOGMBAJJDLIG-JQWIXIFHSA-N -1 3 282.340 1.022 20 30 CDEDHM C=CCO[N-]C(=O)CCC(=O)c1ccc(OC)cc1 ZINC000837046579 737639580 /nfs/dbraw/zinc/63/95/80/737639580.db2.gz NWUKJKZJAIAVHF-UHFFFAOYSA-N -1 3 263.293 1.892 20 30 CDEDHM NC(=O)[C@@H]1CC[C@@H](C/N=C/c2cc(Cl)ccc2[O-])O1 ZINC000159839992 737783889 /nfs/dbraw/zinc/78/38/89/737783889.db2.gz LKHLINUCUBULLV-NASJXWHKSA-N -1 3 282.727 1.497 20 30 CDEDHM C#CC[C@@H](CO)NC(=O)c1cc(SC)ccc1[O-] ZINC000854548670 738071026 /nfs/dbraw/zinc/07/10/26/738071026.db2.gz VJHVRTRRPAVWLX-VIFPVBQESA-N -1 3 265.334 1.228 20 30 CDEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccccc1C(=O)OC ZINC000846547651 738254097 /nfs/dbraw/zinc/25/40/97/738254097.db2.gz LKPXEEVITJKJLZ-JTQLQIEISA-N -1 3 263.293 1.638 20 30 CDEDHM Cc1cc(C)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)c1 ZINC000820482832 738540003 /nfs/dbraw/zinc/54/00/03/738540003.db2.gz SHEMMWNKLZABCS-GFCCVEGCSA-N -1 3 276.336 1.722 20 30 CDEDHM C[C@@H](C#N)OCCOC(=O)Cc1ccc([O-])c(F)c1 ZINC000838145877 738540200 /nfs/dbraw/zinc/54/02/00/738540200.db2.gz ORKBYHYHCZGNEA-VIFPVBQESA-N -1 3 267.256 1.546 20 30 CDEDHM C#CC1([N-]S(=O)(=O)c2cscn2)CCCC1 ZINC000882776024 738647753 /nfs/dbraw/zinc/64/77/53/738647753.db2.gz HFBNVXCINBYEHB-UHFFFAOYSA-N -1 3 256.352 1.367 20 30 CDEDHM C#CCN1CCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001034106957 738699077 /nfs/dbraw/zinc/69/90/77/738699077.db2.gz QKXFLAGFXXCYBI-ZDUSSCGKSA-N -1 3 272.348 1.610 20 30 CDEDHM C[C@H](Oc1cccc(F)c1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816756599 738735447 /nfs/dbraw/zinc/73/54/47/738735447.db2.gz AFWNCXMFUQJXFS-JOYOIKCWSA-N -1 3 296.298 1.089 20 30 CDEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(CC(=O)OCC)cs1 ZINC000844481203 738742111 /nfs/dbraw/zinc/74/21/11/738742111.db2.gz ICVOQJVCSGIZTO-QMMMGPOBSA-N -1 3 299.352 1.876 20 30 CDEDHM Cc1cc(=O)[n-]c(N2CCN(c3ccc(C#N)cc3)CC2)n1 ZINC000884703895 738805116 /nfs/dbraw/zinc/80/51/16/738805116.db2.gz OPJCQMOZHDIEMH-UHFFFAOYSA-N -1 3 295.346 1.689 20 30 CDEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)c2ccc[nH]2)c1 ZINC000776274218 738842411 /nfs/dbraw/zinc/84/24/11/738842411.db2.gz MRBATJOTKWIHEV-UHFFFAOYSA-N -1 3 270.244 1.632 20 30 CDEDHM N#CCNC1CCC(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC001026499952 738886960 /nfs/dbraw/zinc/88/69/60/738886960.db2.gz DSKGUFBIQMYTLE-UHFFFAOYSA-N -1 3 298.350 1.112 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC001609482478 1164968597 /nfs/dbraw/zinc/96/85/97/1164968597.db2.gz DJLORTSBGNQINR-IHWYPQMZSA-N -1 3 286.320 1.558 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC001609482478 1164968602 /nfs/dbraw/zinc/96/86/02/1164968602.db2.gz DJLORTSBGNQINR-IHWYPQMZSA-N -1 3 286.320 1.558 20 30 CDEDHM [O-]c1cccc(Br)c1C=NN[C@@H]1CCOC1 ZINC000863109401 739226662 /nfs/dbraw/zinc/22/66/62/739226662.db2.gz NGHZXABRIDRAFN-MRVPVSSYSA-N -1 3 285.141 1.867 20 30 CDEDHM C=C[C@@H](C)OC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000187557828 736513531 /nfs/dbraw/zinc/51/35/31/736513531.db2.gz AXXWBRZOZBXDFN-SSDOTTSWSA-N -1 3 273.310 1.227 20 30 CDEDHM C=CCN(CC=C)C(=O)COC(=O)c1ccc([O-])cc1 ZINC000797546995 736724740 /nfs/dbraw/zinc/72/47/40/736724740.db2.gz OIRYMWDYWDMZSS-UHFFFAOYSA-N -1 3 275.304 1.750 20 30 CDEDHM C#Cc1cccc(NC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC000929486174 736889633 /nfs/dbraw/zinc/88/96/33/736889633.db2.gz BIXKZYZPQBBZJB-GFCCVEGCSA-N -1 3 284.319 1.301 20 30 CDEDHM C#CC1([N-]S(=O)(=O)c2ccc(C)o2)CCCC1 ZINC000882775292 736962610 /nfs/dbraw/zinc/96/26/10/736962610.db2.gz XQNONLSHCRHFBX-UHFFFAOYSA-N -1 3 253.323 1.812 20 30 CDEDHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816755549 737207998 /nfs/dbraw/zinc/20/79/98/737207998.db2.gz CPCHMFUTEWGOPU-VWYCJHECSA-N -1 3 294.376 1.656 20 30 CDEDHM C=CCN1CCC(NC(=O)N[C@H](CCCC)C(=O)[O-])CC1 ZINC000780565665 737305934 /nfs/dbraw/zinc/30/59/34/737305934.db2.gz MHYMGTJNKUSSKP-CYBMUJFWSA-N -1 3 297.399 1.579 20 30 CDEDHM 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CDEDHM C=CCOCCOC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000495664073 366533333 /nfs/dbraw/zinc/53/33/33/366533333.db2.gz IPOSYZZPPABLPT-UHFFFAOYSA-N -1 3 295.291 1.930 20 30 CDEDHM COCc1nnc(Sc2nc(C)ccc2C#N)[n-]1 ZINC000287793614 359121260 /nfs/dbraw/zinc/12/12/60/359121260.db2.gz JGDLEBRYXKNBMF-UHFFFAOYSA-N -1 3 261.310 1.677 20 30 CDEDHM COCc1nc(Sc2nc(C)ccc2C#N)n[n-]1 ZINC000287793614 359121263 /nfs/dbraw/zinc/12/12/63/359121263.db2.gz JGDLEBRYXKNBMF-UHFFFAOYSA-N -1 3 261.310 1.677 20 30 CDEDHM C#CCOc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000265428672 359329000 /nfs/dbraw/zinc/32/90/00/359329000.db2.gz QVRYXIABJPSHSE-CQSZACIVSA-N -1 3 295.360 1.619 20 30 CDEDHM CCn1cc(S(=O)(=O)[N-][C@H](C#N)C(C)C)nc1C ZINC000079847067 359333368 /nfs/dbraw/zinc/33/33/68/359333368.db2.gz BVIZFBSYNKAXBI-SNVBAGLBSA-N -1 3 270.358 1.038 20 30 CDEDHM C#CCN(CC)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000267319757 359351301 /nfs/dbraw/zinc/35/13/01/359351301.db2.gz OJWMADYODIMBNZ-UHFFFAOYSA-N -1 3 288.347 1.302 20 30 CDEDHM COC1(C[N-]S(=O)(=O)c2cccnc2C#N)CCCC1 ZINC000297206464 200114856 /nfs/dbraw/zinc/11/48/56/200114856.db2.gz VDFZFOSSHGIZRX-UHFFFAOYSA-N -1 3 295.364 1.191 20 30 CDEDHM CSC(C)(C)C[N-]S(=O)(=O)c1cccnc1C#N ZINC000235033577 359705601 /nfs/dbraw/zinc/70/56/01/359705601.db2.gz KUBBMMIANVBMOC-UHFFFAOYSA-N -1 3 285.394 1.373 20 30 CDEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CC#N ZINC000050391585 359775471 /nfs/dbraw/zinc/77/54/71/359775471.db2.gz GIRPSVXLDOUUPI-SECBINFHSA-N -1 3 283.309 1.484 20 30 CDEDHM Cc1c[nH]c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000135634930 359810040 /nfs/dbraw/zinc/81/00/40/359810040.db2.gz YBYICFKYLONQGF-UHFFFAOYSA-N -1 3 299.334 1.466 20 30 CDEDHM CC1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCOCC1 ZINC000160996494 359945675 /nfs/dbraw/zinc/94/56/75/359945675.db2.gz NOVIFKRMCCHFAV-UHFFFAOYSA-N -1 3 298.339 1.545 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121869663 360265061 /nfs/dbraw/zinc/26/50/61/360265061.db2.gz DAXQZIJHZUIFMU-JTQLQIEISA-N -1 3 289.335 1.972 20 30 CDEDHM Cc1cc(C(=O)NCC#Cc2cccc(F)c2)[n-]c(=O)n1 ZINC000338239656 360788469 /nfs/dbraw/zinc/78/84/69/360788469.db2.gz JTPOJEYLQBLCIR-UHFFFAOYSA-N -1 3 285.278 1.411 20 30 CDEDHM C=C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000349774451 360942356 /nfs/dbraw/zinc/94/23/56/360942356.db2.gz IAHABKSGAZDJFR-MRVPVSSYSA-N -1 3 279.720 1.304 20 30 CDEDHM CC[C@H](C#N)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000338665816 360953538 /nfs/dbraw/zinc/95/35/38/360953538.db2.gz LNGILVUYCNXFND-SNVBAGLBSA-N -1 3 281.337 1.090 20 30 CDEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)[C@@H]1CCCOC1 ZINC000389176399 361534469 /nfs/dbraw/zinc/53/44/69/361534469.db2.gz WUAOQFHKQWUOAH-GHMZBOCLSA-N -1 3 295.364 1.047 20 30 CDEDHM CC(C)c1ccc(C(=O)N[C@@]2(C#N)CCOC2)c([O-])c1 ZINC000436927520 361610065 /nfs/dbraw/zinc/61/00/65/361610065.db2.gz RSOIPXBIRBAMSL-OAHLLOKOSA-N -1 3 274.320 1.928 20 30 CDEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCC[C@@H]1CCOC1 ZINC000401320109 364771605 /nfs/dbraw/zinc/77/16/05/364771605.db2.gz GOSKXNZLPZEXPB-LLVKDONJSA-N -1 3 295.364 1.048 20 30 CDEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnn(C2CC2)c1 ZINC000528927114 368036583 /nfs/dbraw/zinc/03/65/83/368036583.db2.gz IEDYXIBVLKUHOT-GFCCVEGCSA-N -1 3 295.302 1.574 20 30 CDEDHM C=CCC[C@@H](O)CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000568073942 371202468 /nfs/dbraw/zinc/20/24/68/371202468.db2.gz RGCFACCJMQTHKJ-KOLCDFICSA-N -1 3 281.274 1.653 20 30 CDEDHM COC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169263051 372082281 /nfs/dbraw/zinc/08/22/81/372082281.db2.gz NLAWGPRDRKAOMR-MRVPVSSYSA-N -1 3 288.756 1.525 20 30 CDEDHM C=CCCO[C@H](C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000351370744 372402590 /nfs/dbraw/zinc/40/25/90/372402590.db2.gz NCPGORNKXSDTGM-MRVPVSSYSA-N -1 3 262.269 1.886 20 30 CDEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000342463966 374221957 /nfs/dbraw/zinc/22/19/57/374221957.db2.gz GYCXOEYLBHLZOM-LURJTMIESA-N -1 3 279.243 1.291 20 30 CDEDHM N#Cc1ccc(CN[C@]2(C(=O)[O-])CCOC2)cc1F ZINC000421815855 374334678 /nfs/dbraw/zinc/33/46/78/374334678.db2.gz OFEKYZLNIVIANW-CYBMUJFWSA-N -1 3 264.256 1.031 20 30 CDEDHM COC(=O)c1cc(C)nc2nc(SCC#N)[n-]c(=O)c21 ZINC000342697762 374402221 /nfs/dbraw/zinc/40/22/21/374402221.db2.gz GAODBVSXPAQYEJ-UHFFFAOYSA-N -1 3 290.304 1.441 20 30 CDEDHM CCC[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)OC ZINC000293578043 374468319 /nfs/dbraw/zinc/46/83/19/374468319.db2.gz FDKYVIULKQDVHH-SNVBAGLBSA-N -1 3 283.353 1.047 20 30 CDEDHM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000331226241 374913261 /nfs/dbraw/zinc/91/32/61/374913261.db2.gz FKJAZEOCRLKMMD-WCBMZHEXSA-N -1 3 288.394 1.305 20 30 CDEDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)C(C)(F)F ZINC000335655987 375144755 /nfs/dbraw/zinc/14/47/55/375144755.db2.gz GSFHKCUVXLNGEK-MRVPVSSYSA-N -1 3 274.292 1.880 20 30 CDEDHM CC[C@H](CC#N)NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000132062666 375470859 /nfs/dbraw/zinc/47/08/59/375470859.db2.gz HEFGKELTJOUPPL-MRVPVSSYSA-N -1 3 273.296 1.096 20 30 CDEDHM CCOCCO[C@@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000057307454 375815038 /nfs/dbraw/zinc/81/50/38/375815038.db2.gz CERKRFDAWAMXDZ-LURJTMIESA-N -1 3 296.249 1.853 20 30 CDEDHM CCOCCO[C@@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000057307454 375815042 /nfs/dbraw/zinc/81/50/42/375815042.db2.gz CERKRFDAWAMXDZ-LURJTMIESA-N -1 3 296.249 1.853 20 30 CDEDHM C=CCS(=O)(=O)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000418984073 376050902 /nfs/dbraw/zinc/05/09/02/376050902.db2.gz KUEZYQYOLIQNOG-UHFFFAOYSA-N -1 3 283.353 1.007 20 30 CDEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CCOC1 ZINC000066918242 376622668 /nfs/dbraw/zinc/62/26/68/376622668.db2.gz IRHFJQZYVGBIMS-MRVPVSSYSA-N -1 3 259.269 1.491 20 30 CDEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CCOC1 ZINC000066918242 376622670 /nfs/dbraw/zinc/62/26/70/376622670.db2.gz IRHFJQZYVGBIMS-MRVPVSSYSA-N -1 3 259.269 1.491 20 30 CDEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CCOC1 ZINC000066918242 376622677 /nfs/dbraw/zinc/62/26/77/376622677.db2.gz IRHFJQZYVGBIMS-MRVPVSSYSA-N -1 3 259.269 1.491 20 30 CDEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnn3C)nc1-2 ZINC000429564152 377060025 /nfs/dbraw/zinc/06/00/25/377060025.db2.gz DBYHHQQFCWDPGM-VIFPVBQESA-N -1 3 280.291 1.490 20 30 CDEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000054178631 377464424 /nfs/dbraw/zinc/46/44/24/377464424.db2.gz DYPPKEUCTMISFM-VIFPVBQESA-N -1 3 257.290 1.191 20 30 CDEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000163365923 377555644 /nfs/dbraw/zinc/55/56/44/377555644.db2.gz RAPYIOIFHUNFJM-UHFFFAOYSA-N -1 3 291.319 1.836 20 30 CDEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424968832 377803955 /nfs/dbraw/zinc/80/39/55/377803955.db2.gz YHQGERPBRUEKFY-WDEREUQCSA-N -1 3 287.319 1.773 20 30 CDEDHM Cc1ocnc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000161887732 377786033 /nfs/dbraw/zinc/78/60/33/377786033.db2.gz GBDJGJLTBRLBJJ-UHFFFAOYSA-N -1 3 295.295 1.472 20 30 CDEDHM C#C[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C(C)C ZINC000282100949 378023923 /nfs/dbraw/zinc/02/39/23/378023923.db2.gz OCIBISNWWHPWNO-NSHDSACASA-N -1 3 277.320 1.797 20 30 CDEDHM C#CCOc1cccc(NC([O-])=NOC(C)(C)CO)c1 ZINC000296684916 378742914 /nfs/dbraw/zinc/74/29/14/378742914.db2.gz PXWIEPQVZINVLS-UHFFFAOYSA-N -1 3 278.308 1.523 20 30 CDEDHM C#CCOc1cccc(NC(=O)[N-]OC(C)(C)CO)c1 ZINC000296684916 378742920 /nfs/dbraw/zinc/74/29/20/378742920.db2.gz PXWIEPQVZINVLS-UHFFFAOYSA-N -1 3 278.308 1.523 20 30 CDEDHM O=C([C@@H]1CSCN1)N([O-])Cc1ccc(F)cc1 ZINC001580805814 1172545500 /nfs/dbraw/zinc/54/55/00/1172545500.db2.gz ZGVVMRIECLUBBU-JTQLQIEISA-N -1 3 256.302 1.206 20 30 CDEDHM C#C[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)C(C)(C)C ZINC000288260128 197037834 /nfs/dbraw/zinc/03/78/34/197037834.db2.gz PJHDAPDDIXRUEI-ZDUSSCGKSA-N -1 3 289.379 1.896 20 30 CDEDHM C=CCN1CC[C@H](N(C)[C@H](C)c2nc(C)cc(=O)[n-]2)C1=O ZINC000281480574 195258248 /nfs/dbraw/zinc/25/82/48/195258248.db2.gz WPHJZSODPNKGLN-NEPJUHHUSA-N -1 3 290.367 1.270 20 30 CDEDHM C#C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000281611767 195308372 /nfs/dbraw/zinc/30/83/72/195308372.db2.gz SSQKRBWLCAXKLH-JTQLQIEISA-N -1 3 282.321 1.531 20 30 CDEDHM C=C(C)COCCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000119645728 390550153 /nfs/dbraw/zinc/55/01/53/390550153.db2.gz IUYLUBDBZUEPPO-UHFFFAOYSA-N -1 3 292.335 1.673 20 30 CDEDHM N#C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000093134610 390900042 /nfs/dbraw/zinc/90/00/42/390900042.db2.gz KQDGHSCQOSIQCA-LLVKDONJSA-N -1 3 297.152 1.879 20 30 CDEDHM Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)[n-]c(=O)n1 ZINC000268724158 391223527 /nfs/dbraw/zinc/22/35/27/391223527.db2.gz GBDMTUBULBPGFJ-GFCCVEGCSA-N -1 3 274.324 1.693 20 30 CDEDHM C=CCCS(=O)(=O)[N-][C@H](CC)[C@H](O)C(F)(F)F ZINC000345504251 391237865 /nfs/dbraw/zinc/23/78/65/391237865.db2.gz IRCHSDJQGUFNPO-SFYZADRCSA-N -1 3 275.292 1.184 20 30 CDEDHM Cc1c(C/N=C/c2c([O-])c(C)ncc2CO)cnn1C ZINC000270429055 391274610 /nfs/dbraw/zinc/27/46/10/391274610.db2.gz NOMNBOHTOFVVDV-VIZOYTHASA-N -1 3 274.324 1.249 20 30 CDEDHM C[C@H](C#N)S(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000416490530 391317575 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CC(=NNC(=N)N)c1cc(Br)c(F)cc1[O-] ZINC000746566202 576784155 /nfs/dbraw/zinc/78/41/55/576784155.db2.gz SQQKCENUCQJWFZ-UHFFFAOYSA-N -1 3 289.108 1.501 20 30 CDEDHM N#Cc1ccc(C(=O)OCc2cc(=O)c([O-])co2)cc1 ZINC000746835162 576791448 /nfs/dbraw/zinc/79/14/48/576791448.db2.gz LDIYQAGKVGHUEY-UHFFFAOYSA-N -1 3 271.228 1.574 20 30 CDEDHM COc1cccc([O-])c1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753941063 576867856 /nfs/dbraw/zinc/86/78/56/576867856.db2.gz WMXZAHPFMQKLRL-TXEJJXNPSA-N -1 3 288.351 1.595 20 30 CDEDHM COc1ncnc(N)c1C=NNc1cccc(C(=O)[O-])c1 ZINC000747624210 576877484 /nfs/dbraw/zinc/87/74/84/576877484.db2.gz KHYDCNLLQACCKK-UHFFFAOYSA-N -1 3 287.279 1.212 20 30 CDEDHM C#C[C@@H](CC)[N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1 ZINC000754674644 576909960 /nfs/dbraw/zinc/90/99/60/576909960.db2.gz KSEZQKPHDQCYMB-NSHDSACASA-N -1 3 281.258 1.999 20 30 CDEDHM Cc1ncc(C=NN2CC(=O)[N-]C2=O)n1-c1ccccc1 ZINC000755611757 576951996 /nfs/dbraw/zinc/95/19/96/576951996.db2.gz PSHXZIQVNKYUSR-UHFFFAOYSA-N -1 3 283.291 1.066 20 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CDEDHM C#CCCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819693925 599192174 /nfs/dbraw/zinc/19/21/74/599192174.db2.gz ZVCIWQZXOAGGMR-KTKRTIGZSA-N -1 3 281.319 1.410 20 30 CDEDHM C#CCCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819693925 599192177 /nfs/dbraw/zinc/19/21/77/599192177.db2.gz ZVCIWQZXOAGGMR-KTKRTIGZSA-N -1 3 281.319 1.410 20 30 CDEDHM C#CCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819692709 599239076 /nfs/dbraw/zinc/23/90/76/599239076.db2.gz HKBKRZOHEAGGHN-UHFFFAOYSA-N -1 3 270.296 1.402 20 30 CDEDHM C#CCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819692709 599239077 /nfs/dbraw/zinc/23/90/77/599239077.db2.gz HKBKRZOHEAGGHN-UHFFFAOYSA-N -1 3 270.296 1.402 20 30 CDEDHM C[C@@H](C#N)CN(C)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824034496 608366893 /nfs/dbraw/zinc/36/68/93/608366893.db2.gz KVAOQFCKCGVVPM-QMMMGPOBSA-N -1 3 260.276 1.602 20 30 CDEDHM C[C@@H](C#N)CN(C)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824034496 608366895 /nfs/dbraw/zinc/36/68/95/608366895.db2.gz KVAOQFCKCGVVPM-QMMMGPOBSA-N -1 3 260.276 1.602 20 30 CDEDHM N#Cc1cc(NC(=O)CC2CCC2)ccc1-c1nnn[n-]1 ZINC000822823675 599632131 /nfs/dbraw/zinc/63/21/31/599632131.db2.gz XLZDWEGAUJNCMH-UHFFFAOYSA-N -1 3 282.307 1.867 20 30 CDEDHM N#Cc1cc(NC(=O)CC2CCC2)ccc1-c1nn[n-]n1 ZINC000822823675 599632132 /nfs/dbraw/zinc/63/21/32/599632132.db2.gz XLZDWEGAUJNCMH-UHFFFAOYSA-N -1 3 282.307 1.867 20 30 CDEDHM N#Cc1cc(NC(=O)[C@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC000822822683 607396299 /nfs/dbraw/zinc/39/62/99/607396299.db2.gz BLGYKZDKWJKMAP-GFCCVEGCSA-N -1 3 298.306 1.246 20 30 CDEDHM N#Cc1cc(NC(=O)[C@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC000822822683 607396301 /nfs/dbraw/zinc/39/63/01/607396301.db2.gz BLGYKZDKWJKMAP-GFCCVEGCSA-N -1 3 298.306 1.246 20 30 CDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1C#N ZINC000822655709 606207798 /nfs/dbraw/zinc/20/77/98/606207798.db2.gz USIFYDXRWJLLDS-UHFFFAOYSA-N -1 3 293.290 1.329 20 30 CDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1C#N ZINC000822655709 606207800 /nfs/dbraw/zinc/20/78/00/606207800.db2.gz USIFYDXRWJLLDS-UHFFFAOYSA-N -1 3 293.290 1.329 20 30 CDEDHM N#C[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822807031 606242423 /nfs/dbraw/zinc/24/24/23/606242423.db2.gz XYVUSSADKZNDGA-VHSXEESVSA-N -1 3 299.294 1.879 20 30 CDEDHM N#C[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822807031 606242424 /nfs/dbraw/zinc/24/24/24/606242424.db2.gz XYVUSSADKZNDGA-VHSXEESVSA-N -1 3 299.294 1.879 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1-c1nnn[n-]1 ZINC000822829894 606255388 /nfs/dbraw/zinc/25/53/88/606255388.db2.gz ODFVBTJACKJVDD-DGCLKSJQSA-N -1 3 294.318 1.723 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1-c1nn[n-]n1 ZINC000822829894 606255390 /nfs/dbraw/zinc/25/53/90/606255390.db2.gz ODFVBTJACKJVDD-DGCLKSJQSA-N -1 3 294.318 1.723 20 30 CDEDHM C=CCCCC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819734876 606285490 /nfs/dbraw/zinc/28/54/90/606285490.db2.gz WELDENPEOALLAS-UHFFFAOYSA-N -1 3 289.314 1.978 20 30 CDEDHM C=CCCCC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819734876 606285492 /nfs/dbraw/zinc/28/54/92/606285492.db2.gz WELDENPEOALLAS-UHFFFAOYSA-N -1 3 289.314 1.978 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822801923 606299673 /nfs/dbraw/zinc/29/96/73/606299673.db2.gz QZBZLNGEOSEUNS-VXGBXAGGSA-N -1 3 282.307 1.289 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822801923 606299674 /nfs/dbraw/zinc/29/96/74/606299674.db2.gz QZBZLNGEOSEUNS-VXGBXAGGSA-N -1 3 282.307 1.289 20 30 CDEDHM N#CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)C1CC1 ZINC000822810818 606499894 /nfs/dbraw/zinc/49/98/94/606499894.db2.gz MZDNXILGQCGBQQ-UHFFFAOYSA-N -1 3 274.309 1.056 20 30 CDEDHM N#CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CC1 ZINC000822810818 606499892 /nfs/dbraw/zinc/49/98/92/606499892.db2.gz MZDNXILGQCGBQQ-UHFFFAOYSA-N -1 3 274.309 1.056 20 30 CDEDHM CC[C@H](C#N)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820841860 606613539 /nfs/dbraw/zinc/61/35/39/606613539.db2.gz GSVGHBBPRFYMEQ-SKVAFPRGSA-N -1 3 283.291 1.725 20 30 CDEDHM CC[C@H](C#N)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820841860 606613540 /nfs/dbraw/zinc/61/35/40/606613540.db2.gz GSVGHBBPRFYMEQ-SKVAFPRGSA-N -1 3 283.291 1.725 20 30 CDEDHM C=C[C@@H](C)ONC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001602799871 1175405905 /nfs/dbraw/zinc/40/59/05/1175405905.db2.gz HIHLOPVVNMYYEF-SECBINFHSA-N -1 3 288.311 1.172 20 30 CDEDHM C=C[C@@H](C)ONC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001602799871 1175405908 /nfs/dbraw/zinc/40/59/08/1175405908.db2.gz HIHLOPVVNMYYEF-SECBINFHSA-N -1 3 288.311 1.172 20 30 CDEDHM C=C[C@@H](C)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000819730337 606800100 /nfs/dbraw/zinc/80/01/00/606800100.db2.gz WQCQCLHBKNQWFE-SECBINFHSA-N -1 3 272.312 1.240 20 30 CDEDHM C=C[C@@H](C)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000819730337 606800102 /nfs/dbraw/zinc/80/01/02/606800102.db2.gz WQCQCLHBKNQWFE-SECBINFHSA-N -1 3 272.312 1.240 20 30 CDEDHM C[C@H](C#N)CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819845519 606832573 /nfs/dbraw/zinc/83/25/73/606832573.db2.gz WAECEAWBRNAOJR-ZJUUUORDSA-N -1 3 299.338 1.387 20 30 CDEDHM C[C@H](C#N)CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819845519 606832575 /nfs/dbraw/zinc/83/25/75/606832575.db2.gz WAECEAWBRNAOJR-ZJUUUORDSA-N -1 3 299.338 1.387 20 30 CDEDHM C=CC[C@H](CC)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001602811965 1175412051 /nfs/dbraw/zinc/41/20/51/1175412051.db2.gz SZIMHGSESRDUSP-QMMMGPOBSA-N -1 3 260.301 1.279 20 30 CDEDHM C=CC[C@H](CC)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001602811965 1175412057 /nfs/dbraw/zinc/41/20/57/1175412057.db2.gz SZIMHGSESRDUSP-QMMMGPOBSA-N -1 3 260.301 1.279 20 30 CDEDHM C=CCC(CC=C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000819734087 607017934 /nfs/dbraw/zinc/01/79/34/607017934.db2.gz HURSDRFMKNAOEX-UHFFFAOYSA-N -1 3 284.323 1.969 20 30 CDEDHM C=CCC(CC=C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000819734087 607017936 /nfs/dbraw/zinc/01/79/36/607017936.db2.gz HURSDRFMKNAOEX-UHFFFAOYSA-N -1 3 284.323 1.969 20 30 CDEDHM N#Cc1cc(NC(=O)[C@H]2CC23CCC3)ccc1-c1nnn[n-]1 ZINC000822823598 607144794 /nfs/dbraw/zinc/14/47/94/607144794.db2.gz TYYODWJBSZPRIV-GFCCVEGCSA-N -1 3 294.318 1.867 20 30 CDEDHM N#Cc1cc(NC(=O)[C@H]2CC23CCC3)ccc1-c1nn[n-]n1 ZINC000822823598 607144796 /nfs/dbraw/zinc/14/47/96/607144796.db2.gz TYYODWJBSZPRIV-GFCCVEGCSA-N -1 3 294.318 1.867 20 30 CDEDHM C#CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823838885 607822286 /nfs/dbraw/zinc/82/22/86/607822286.db2.gz WIHKLSWYUDQLPR-UHFFFAOYSA-N -1 3 296.315 1.562 20 30 CDEDHM C#CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823838885 607822287 /nfs/dbraw/zinc/82/22/87/607822287.db2.gz WIHKLSWYUDQLPR-UHFFFAOYSA-N -1 3 296.315 1.562 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](C#N)CCC#N ZINC000826255050 607875622 /nfs/dbraw/zinc/87/56/22/607875622.db2.gz JNGIZISCDKJBLY-NSHDSACASA-N -1 3 282.307 1.997 20 30 CDEDHM C[C@H](CC#N)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000824385592 607890047 /nfs/dbraw/zinc/89/00/47/607890047.db2.gz XHZRHZBMKCILDS-SECBINFHSA-N -1 3 255.285 1.092 20 30 CDEDHM C[C@H](CC#N)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000824385592 607890048 /nfs/dbraw/zinc/89/00/48/607890048.db2.gz XHZRHZBMKCILDS-SECBINFHSA-N -1 3 255.285 1.092 20 30 CDEDHM C=CCCC(=O)COC(=O)c1sccc1-c1nnn[n-]1 ZINC000823888834 608056965 /nfs/dbraw/zinc/05/69/65/608056965.db2.gz YDTAZNSOSQBMGF-UHFFFAOYSA-N -1 3 292.320 1.620 20 30 CDEDHM C=CCCC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001602834463 1175424180 /nfs/dbraw/zinc/42/41/80/1175424180.db2.gz USLUESVCSFYLLP-SECBINFHSA-N -1 3 288.355 1.978 20 30 CDEDHM C=CCCC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001602834463 1175424182 /nfs/dbraw/zinc/42/41/82/1175424182.db2.gz USLUESVCSFYLLP-SECBINFHSA-N -1 3 288.355 1.978 20 30 CDEDHM C=CCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602847248 1175432635 /nfs/dbraw/zinc/43/26/35/1175432635.db2.gz MEJIFCGTZUKWQN-UHFFFAOYSA-N -1 3 260.257 1.397 20 30 CDEDHM C=CCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602847248 1175432643 /nfs/dbraw/zinc/43/26/43/1175432643.db2.gz MEJIFCGTZUKWQN-UHFFFAOYSA-N -1 3 260.257 1.397 20 30 CDEDHM Clc1ccnc(N=NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826353762 609307854 /nfs/dbraw/zinc/30/78/54/609307854.db2.gz CPIXYPRBHMDYCH-UHFFFAOYSA-N -1 3 289.686 1.954 20 30 CDEDHM Clc1ccnc(N=NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000826353762 609307855 /nfs/dbraw/zinc/30/78/55/609307855.db2.gz CPIXYPRBHMDYCH-UHFFFAOYSA-N -1 3 289.686 1.954 20 30 CDEDHM C[C@@H]1C[C@@H](NN=Cc2cc(-c3nnn[n-]3)cs2)CCO1 ZINC000824891564 609518528 /nfs/dbraw/zinc/51/85/28/609518528.db2.gz AVHCSEVYBHVYKL-SCZZXKLOSA-N -1 3 292.368 1.419 20 30 CDEDHM C[C@@H]1C[C@@H](NN=Cc2cc(-c3nn[n-]n3)cs2)CCO1 ZINC000824891564 609518530 /nfs/dbraw/zinc/51/85/30/609518530.db2.gz AVHCSEVYBHVYKL-SCZZXKLOSA-N -1 3 292.368 1.419 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(C)(C#N)CC2)n1 ZINC000826273979 609563830 /nfs/dbraw/zinc/56/38/30/609563830.db2.gz CDPUIOKTGVCXFO-UHFFFAOYSA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(C)(C#N)CC2)n1 ZINC000826273979 609563832 /nfs/dbraw/zinc/56/38/32/609563832.db2.gz CDPUIOKTGVCXFO-UHFFFAOYSA-N -1 3 283.339 1.700 20 30 CDEDHM COc1cc(C#N)ccc1CN1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931315000 617708304 /nfs/dbraw/zinc/70/83/04/617708304.db2.gz LKICIOBYYBEGRM-UHFFFAOYSA-N -1 3 296.330 1.887 20 30 CDEDHM C=CCCOC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000156816419 617933298 /nfs/dbraw/zinc/93/32/98/617933298.db2.gz FTFHVSUTEOEHPK-UHFFFAOYSA-N -1 3 287.312 1.930 20 30 CDEDHM N#CCCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826381650 618591067 /nfs/dbraw/zinc/59/10/67/618591067.db2.gz SZIDSPPKSWBELO-UHFFFAOYSA-N -1 3 297.244 1.996 20 30 CDEDHM N#CCCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000826381650 618591069 /nfs/dbraw/zinc/59/10/69/618591069.db2.gz SZIDSPPKSWBELO-UHFFFAOYSA-N -1 3 297.244 1.996 20 30 CDEDHM C=CCCC[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)C(=O)[O-] ZINC000910916325 618596857 /nfs/dbraw/zinc/59/68/57/618596857.db2.gz VCGNCRHXFVVTAZ-UPJWGTAASA-N -1 3 282.384 1.785 20 30 CDEDHM O=C1[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCCN1[O-] ZINC000895163528 619386583 /nfs/dbraw/zinc/38/65/83/619386583.db2.gz VNLSKUAMYQFUOK-SNVBAGLBSA-N -1 3 270.716 1.515 20 30 CDEDHM Cn1nc(CN[C@H]2CCCN([O-])C2=O)c2ccccc21 ZINC000895166081 619395202 /nfs/dbraw/zinc/39/52/02/619395202.db2.gz OXXUKVQUGMEGPR-NSHDSACASA-N -1 3 274.324 1.043 20 30 CDEDHM O=C1[C@H](NCc2cnn(-c3ccccc3)c2)CCCN1[O-] ZINC000895167282 619398155 /nfs/dbraw/zinc/39/81/55/619398155.db2.gz YBTXQQVQCMWRHO-CQSZACIVSA-N -1 3 286.335 1.342 20 30 CDEDHM CO[C@@H]1CCC[C@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000840710478 620332834 /nfs/dbraw/zinc/33/28/34/620332834.db2.gz SIXVPPVMKXEJCT-COLYAIGISA-N -1 3 264.325 1.574 20 30 CDEDHM O=C1C[C@@H](C/N=C/c2cc(Br)ccc2[O-])CN1 ZINC000840710513 620344605 /nfs/dbraw/zinc/34/46/05/620344605.db2.gz KBVWALUTAOXRPZ-QZNXTOQNSA-N -1 3 297.152 1.710 20 30 CDEDHM C=C(C)[C@H](CC(=O)NCc1nc(C)cc(=O)[n-]1)OCC ZINC000898262880 621431869 /nfs/dbraw/zinc/43/18/69/621431869.db2.gz LXWQTWZGXYLOGJ-NSHDSACASA-N -1 3 279.340 1.478 20 30 CDEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)n(C)n1 ZINC000900096097 622696058 /nfs/dbraw/zinc/69/60/58/622696058.db2.gz RMDCVHJSVYRVKG-UHFFFAOYSA-N -1 3 263.272 1.899 20 30 CDEDHM O=C(CC1OCCCO1)N([O-])Cc1ccc(F)cc1 ZINC000904172881 626209713 /nfs/dbraw/zinc/20/97/13/626209713.db2.gz DARIUCLANNCCKF-UHFFFAOYSA-N -1 3 269.272 1.697 20 30 CDEDHM CCCCN([O-])C(=O)CCNC(=O)OC(C)(C)C ZINC000904208198 626212766 /nfs/dbraw/zinc/21/27/66/626212766.db2.gz PVOBPJAPRMYPMS-UHFFFAOYSA-N -1 3 260.334 1.919 20 30 CDEDHM NC(=O)[C@H]1CC[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904192774 626216406 /nfs/dbraw/zinc/21/64/06/626216406.db2.gz BTSFYZOEASABQE-UWVGGRQHSA-N -1 3 282.727 1.569 20 30 CDEDHM CCCCN([O-])C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC000904214575 626227400 /nfs/dbraw/zinc/22/74/00/626227400.db2.gz DTBXPBDDKNEBNY-GFCCVEGCSA-N -1 3 266.345 1.808 20 30 CDEDHM C#CC[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(=O)[O-] ZINC000910051764 628828712 /nfs/dbraw/zinc/82/87/12/628828712.db2.gz GRKULVNTMHEQCS-OLZOCXBDSA-N -1 3 280.368 1.090 20 30 CDEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913299645 630431783 /nfs/dbraw/zinc/43/17/83/630431783.db2.gz NVNPEOZNNFZSQG-VIFPVBQESA-N -1 3 289.291 1.517 20 30 CDEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913299645 630431784 /nfs/dbraw/zinc/43/17/84/630431784.db2.gz NVNPEOZNNFZSQG-VIFPVBQESA-N -1 3 289.291 1.517 20 30 CDEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCCOC2)c1[O-] ZINC000917558726 632238418 /nfs/dbraw/zinc/23/84/18/632238418.db2.gz WOOQERVIXDPQDZ-BXRZMRDGSA-N -1 3 264.325 1.433 20 30 CDEDHM CCOC(=O)[C@@H](C#N)[N-]c1cccc(C)c1[N+](=O)[O-] ZINC001170373484 1162351160 /nfs/dbraw/zinc/35/11/60/1162351160.db2.gz KPDOOLUYOAPJKO-SNVBAGLBSA-N -1 3 263.253 1.770 20 30 CDEDHM C=CCOCCSc1cc(-c2nnn[n-]2)ccn1 ZINC001602870585 1175440062 /nfs/dbraw/zinc/44/00/62/1175440062.db2.gz MQGTUYFTHDWPHJ-UHFFFAOYSA-N -1 3 263.326 1.556 20 30 CDEDHM C=CCOCCSc1cc(-c2nn[n-]n2)ccn1 ZINC001602870585 1175440068 /nfs/dbraw/zinc/44/00/68/1175440068.db2.gz MQGTUYFTHDWPHJ-UHFFFAOYSA-N -1 3 263.326 1.556 20 30 CDEDHM N#Cc1nc(-n2[n-]c(=O)nc2CN)c(Cl)cc1Cl ZINC001157939966 1162595033 /nfs/dbraw/zinc/59/50/33/1162595033.db2.gz CKHUCUFWISDVTQ-UHFFFAOYSA-N -1 3 285.094 1.005 20 30 CDEDHM CO[C@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001605006610 1163414264 /nfs/dbraw/zinc/41/42/64/1163414264.db2.gz KJPTYJCMZAFABC-GFCCVEGCSA-N -1 3 272.312 1.689 20 30 CDEDHM CO[C@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001605006610 1163414268 /nfs/dbraw/zinc/41/42/68/1163414268.db2.gz KJPTYJCMZAFABC-GFCCVEGCSA-N -1 3 272.312 1.689 20 30 CDEDHM N#CC1(NC(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001606345204 1163869314 /nfs/dbraw/zinc/86/93/14/1163869314.db2.gz ZPTFMUFVDXGWEC-UHFFFAOYSA-N -1 3 282.307 1.433 20 30 CDEDHM N#CC1(NC(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001606345204 1163869318 /nfs/dbraw/zinc/86/93/18/1163869318.db2.gz ZPTFMUFVDXGWEC-UHFFFAOYSA-N -1 3 282.307 1.433 20 30 CDEDHM N#Cc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001606379239 1163881828 /nfs/dbraw/zinc/88/18/28/1163881828.db2.gz KIYRTSSFWSOAOW-UHFFFAOYSA-N -1 3 264.248 1.926 20 30 CDEDHM N#Cc1csc(CNCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001606388767 1163886003 /nfs/dbraw/zinc/88/60/03/1163886003.db2.gz FFNKCGBDIRROIY-UHFFFAOYSA-N -1 3 297.347 1.485 20 30 CDEDHM N#Cc1csc(CNCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001606388767 1163886010 /nfs/dbraw/zinc/88/60/10/1163886010.db2.gz FFNKCGBDIRROIY-UHFFFAOYSA-N -1 3 297.347 1.485 20 30 CDEDHM C#CCC[C@H](O)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC001609020370 1164728869 /nfs/dbraw/zinc/72/88/69/1164728869.db2.gz ZPAZABGCHMCKQE-JTQLQIEISA-N -1 3 275.287 1.192 20 30 CDEDHM C#CC1CCN(c2cc(C(C)=O)ccc2-c2nnn[n-]2)CC1 ZINC001609019891 1164729789 /nfs/dbraw/zinc/72/97/89/1164729789.db2.gz KDSLGBVXMTURPA-UHFFFAOYSA-N -1 3 295.346 1.919 20 30 CDEDHM C#CC1CCN(c2cc(C(C)=O)ccc2-c2nn[n-]n2)CC1 ZINC001609019891 1164729794 /nfs/dbraw/zinc/72/97/94/1164729794.db2.gz KDSLGBVXMTURPA-UHFFFAOYSA-N -1 3 295.346 1.919 20 30 CDEDHM C=C(C)COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001609051632 1164744653 /nfs/dbraw/zinc/74/46/53/1164744653.db2.gz LJNIXWJJJCFPJX-SNVBAGLBSA-N -1 3 288.307 1.753 20 30 CDEDHM C=C(C)COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001609051632 1164744660 /nfs/dbraw/zinc/74/46/60/1164744660.db2.gz LJNIXWJJJCFPJX-SNVBAGLBSA-N -1 3 288.307 1.753 20 30 CDEDHM C=C(CC)CNC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001609257684 1164865990 /nfs/dbraw/zinc/86/59/90/1164865990.db2.gz LWCBVGUINXBGEA-UHFFFAOYSA-N -1 3 283.372 1.143 20 30 CDEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)on1 ZINC001609339994 1164905981 /nfs/dbraw/zinc/90/59/81/1164905981.db2.gz ZGNUUNPUTUJKDR-QPJJXVBHSA-N -1 3 297.274 1.759 20 30 CDEDHM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)on1 ZINC001609339994 1164905985 /nfs/dbraw/zinc/90/59/85/1164905985.db2.gz ZGNUUNPUTUJKDR-QPJJXVBHSA-N -1 3 297.274 1.759 20 30 CDEDHM Cc1nc(-c2nnn[n-]2)c(NNC=C2CC2(F)F)o1 ZINC001609446187 1164950470 /nfs/dbraw/zinc/95/04/70/1164950470.db2.gz PULQQADGISLJAP-YFKPBYRVSA-N -1 3 269.215 1.216 20 30 CDEDHM Cc1nc(-c2nn[n-]n2)c(NNC=C2CC2(F)F)o1 ZINC001609446187 1164950477 /nfs/dbraw/zinc/95/04/77/1164950477.db2.gz PULQQADGISLJAP-YFKPBYRVSA-N -1 3 269.215 1.216 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001609500096 1164977624 /nfs/dbraw/zinc/97/76/24/1164977624.db2.gz ZMDUFKFOHXGVCK-DDFAGTSDSA-N -1 3 266.308 1.949 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001609500096 1164977627 /nfs/dbraw/zinc/97/76/27/1164977627.db2.gz ZMDUFKFOHXGVCK-DDFAGTSDSA-N -1 3 266.308 1.949 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCC[C@@H](O)C1 ZINC001609499643 1164977925 /nfs/dbraw/zinc/97/79/25/1164977925.db2.gz CEVBAPVBCRKKDR-ZYHUDNBSSA-N -1 3 298.350 1.701 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCC[C@@H](O)C1 ZINC001609499643 1164977930 /nfs/dbraw/zinc/97/79/30/1164977930.db2.gz CEVBAPVBCRKKDR-ZYHUDNBSSA-N -1 3 298.350 1.701 20 30 CDEDHM CC[C@](C)(NCc1cccc(C(=O)OC)c1C#N)C(=O)[O-] ZINC001609897316 1165136000 /nfs/dbraw/zinc/13/60/00/1165136000.db2.gz OYMDDPQZYCVOPD-HNNXBMFYSA-N -1 3 290.319 1.688 20 30 CDEDHM COCCn1cc(C([O-])=C(C#N)c2nccn2C)c(C)n1 ZINC001646844417 1168189251 /nfs/dbraw/zinc/18/92/51/1168189251.db2.gz VBFPXPWSMGDLBV-NSHDSACASA-N -1 3 287.323 1.062 20 30 CDEDHM COC(=O)c1cc(C(=O)OCc2ccc(C#N)cn2)c[n-]1 ZINC001646866172 1168203858 /nfs/dbraw/zinc/20/38/58/1168203858.db2.gz JJZNYYIEJCLVLM-UHFFFAOYSA-N -1 3 285.259 1.425 20 30 CDEDHM N#Cc1cncc(NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC001650994340 1171276998 /nfs/dbraw/zinc/27/69/98/1171276998.db2.gz LXBIMISXVSVPEV-UHFFFAOYSA-N -1 3 269.190 1.097 20 30 CDEDHM Nc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC001580439349 1172436138 /nfs/dbraw/zinc/43/61/38/1172436138.db2.gz OJEFKUMXEXAIJV-UHFFFAOYSA-N -1 3 261.256 1.835 20 30 CDEDHM C#C[C@@H]1CCCCN1c1cc(F)ccc1-c1nnn[n-]1 ZINC001588331483 1173035698 /nfs/dbraw/zinc/03/56/98/1173035698.db2.gz BFVHIHKQZJSADG-LLVKDONJSA-N -1 3 271.299 1.998 20 30 CDEDHM C#C[C@@H]1CCCCN1c1cc(F)ccc1-c1nn[n-]n1 ZINC001588331483 1173035704 /nfs/dbraw/zinc/03/57/04/1173035704.db2.gz BFVHIHKQZJSADG-LLVKDONJSA-N -1 3 271.299 1.998 20 30 CDEDHM C#CCCCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588340828 1173043110 /nfs/dbraw/zinc/04/31/10/1173043110.db2.gz HTQHOKTYSDCOOK-UHFFFAOYSA-N -1 3 273.271 1.748 20 30 CDEDHM C#CCCCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588340828 1173043116 /nfs/dbraw/zinc/04/31/16/1173043116.db2.gz HTQHOKTYSDCOOK-UHFFFAOYSA-N -1 3 273.271 1.748 20 30 CDEDHM C#CCn1cc(CNc2cc(C)c(-c3nnn[n-]3)cn2)cn1 ZINC001588363927 1173052348 /nfs/dbraw/zinc/05/23/48/1173052348.db2.gz JFMOIDMDGUYADK-UHFFFAOYSA-N -1 3 294.322 1.012 20 30 CDEDHM C#CCn1cc(CNc2cc(C)c(-c3nn[n-]n3)cn2)cn1 ZINC001588363927 1173052357 /nfs/dbraw/zinc/05/23/57/1173052357.db2.gz JFMOIDMDGUYADK-UHFFFAOYSA-N -1 3 294.322 1.012 20 30 CDEDHM C(=NNCC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588381787 1173057156 /nfs/dbraw/zinc/05/71/56/1173057156.db2.gz UWLXWQUXNIPCDS-UHFFFAOYSA-N -1 3 270.340 1.980 20 30 CDEDHM C(=NNCC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588381787 1173057159 /nfs/dbraw/zinc/05/71/59/1173057159.db2.gz UWLXWQUXNIPCDS-UHFFFAOYSA-N -1 3 270.340 1.980 20 30 CDEDHM C=C(C)CONC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588430275 1173062708 /nfs/dbraw/zinc/06/27/08/1173062708.db2.gz WCGFMJRIFOIJJR-UHFFFAOYSA-N -1 3 273.296 1.413 20 30 CDEDHM C=C(C)CONC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588430275 1173062712 /nfs/dbraw/zinc/06/27/12/1173062712.db2.gz WCGFMJRIFOIJJR-UHFFFAOYSA-N -1 3 273.296 1.413 20 30 CDEDHM C=C1CN(C(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)C1 ZINC001588462518 1173065244 /nfs/dbraw/zinc/06/52/44/1173065244.db2.gz JISHTEIYRPWTIV-UHFFFAOYSA-N -1 3 284.323 1.257 20 30 CDEDHM C=C1CN(C(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)C1 ZINC001588462518 1173065248 /nfs/dbraw/zinc/06/52/48/1173065248.db2.gz JISHTEIYRPWTIV-UHFFFAOYSA-N -1 3 284.323 1.257 20 30 CDEDHM C=CC(C)(C)CNC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588488752 1173068947 /nfs/dbraw/zinc/06/89/47/1173068947.db2.gz ONULSXPDGWBMRM-UHFFFAOYSA-N -1 3 289.314 1.948 20 30 CDEDHM C=CC(C)(C)CNC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588488752 1173068953 /nfs/dbraw/zinc/06/89/53/1173068953.db2.gz ONULSXPDGWBMRM-UHFFFAOYSA-N -1 3 289.314 1.948 20 30 CDEDHM C=C[C@](C)(O)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588499262 1173069699 /nfs/dbraw/zinc/06/96/99/1173069699.db2.gz HVGCGULFFUDLKY-HNNXBMFYSA-N -1 3 299.334 1.620 20 30 CDEDHM C=C[C@](C)(O)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588499262 1173069705 /nfs/dbraw/zinc/06/97/05/1173069705.db2.gz HVGCGULFFUDLKY-HNNXBMFYSA-N -1 3 299.334 1.620 20 30 CDEDHM C=CCONC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1 ZINC001588689854 1173098464 /nfs/dbraw/zinc/09/84/64/1173098464.db2.gz SXWVJPYFQHHHSL-UHFFFAOYSA-N -1 3 284.279 1.195 20 30 CDEDHM C=CCONC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1 ZINC001588689854 1173098468 /nfs/dbraw/zinc/09/84/68/1173098468.db2.gz SXWVJPYFQHHHSL-UHFFFAOYSA-N -1 3 284.279 1.195 20 30 CDEDHM C=CCONC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588690025 1173100393 /nfs/dbraw/zinc/10/03/93/1173100393.db2.gz XKRWSFKGWGAHDT-UHFFFAOYSA-N -1 3 260.257 1.106 20 30 CDEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCCC#N)c1 ZINC001588908724 1173112993 /nfs/dbraw/zinc/11/29/93/1173112993.db2.gz WKRQEAYTOZDFOF-UHFFFAOYSA-N -1 3 270.296 1.785 20 30 CDEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCCC#N)c1 ZINC001588908724 1173113002 /nfs/dbraw/zinc/11/30/02/1173113002.db2.gz WKRQEAYTOZDFOF-UHFFFAOYSA-N -1 3 270.296 1.785 20 30 CDEDHM C[C@@H](C#N)OCCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588934717 1173116711 /nfs/dbraw/zinc/11/67/11/1173116711.db2.gz RRNVXPOIQLQIHY-QMMMGPOBSA-N -1 3 277.259 1.313 20 30 CDEDHM C[C@@H](C#N)OCCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588934717 1173116714 /nfs/dbraw/zinc/11/67/14/1173116714.db2.gz RRNVXPOIQLQIHY-QMMMGPOBSA-N -1 3 277.259 1.313 20 30 CDEDHM CC(C)(C#N)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001589034019 1173119711 /nfs/dbraw/zinc/11/97/11/1173119711.db2.gz PHWRUQOENWAVIC-UHFFFAOYSA-N -1 3 257.253 1.322 20 30 CDEDHM CC(C)(C#N)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001589034019 1173119714 /nfs/dbraw/zinc/11/97/14/1173119714.db2.gz PHWRUQOENWAVIC-UHFFFAOYSA-N -1 3 257.253 1.322 20 30 CDEDHM C[C@H](CC#N)NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589786724 1173179032 /nfs/dbraw/zinc/17/90/32/1173179032.db2.gz BFJDTHPYCMYXAY-SSDOTTSWSA-N -1 3 274.259 1.038 20 30 CDEDHM C[C@H](CC#N)NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589786724 1173179037 /nfs/dbraw/zinc/17/90/37/1173179037.db2.gz BFJDTHPYCMYXAY-SSDOTTSWSA-N -1 3 274.259 1.038 20 30 CDEDHM C[C@@H](CC#N)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001589788466 1173180880 /nfs/dbraw/zinc/18/08/80/1173180880.db2.gz WWFPAASASMBOEA-QMMMGPOBSA-N -1 3 289.270 1.599 20 30 CDEDHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)n1cc(CCC#N)nn1 ZINC001590038707 1173236953 /nfs/dbraw/zinc/23/69/53/1173236953.db2.gz DJBWHZMRIOKOFR-SNVBAGLBSA-N -1 3 294.322 1.524 20 30 CDEDHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)n1cc(CCC#N)nn1 ZINC001590038707 1173236959 /nfs/dbraw/zinc/23/69/59/1173236959.db2.gz DJBWHZMRIOKOFR-SNVBAGLBSA-N -1 3 294.322 1.524 20 30 CDEDHM C[C@@]1(C#N)CCCN(Cc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590055402 1173239537 /nfs/dbraw/zinc/23/95/37/1173239537.db2.gz ROSZHKZDHQGYNT-AWEZNQCLSA-N -1 3 283.339 1.387 20 30 CDEDHM C[C@@]1(C#N)CCCN(Cc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001590055402 1173239543 /nfs/dbraw/zinc/23/95/43/1173239543.db2.gz ROSZHKZDHQGYNT-AWEZNQCLSA-N -1 3 283.339 1.387 20 30 CDEDHM CC1(C)CCC1N=Nc1ccc(-c2nnn[n-]2)cn1 ZINC001590093994 1173254137 /nfs/dbraw/zinc/25/41/37/1173254137.db2.gz QNMZPSBJLUULRV-UHFFFAOYSA-N -1 3 257.301 1.850 20 30 CDEDHM CC1(C)CCC1N=Nc1ccc(-c2nn[n-]n2)cn1 ZINC001590093994 1173254139 /nfs/dbraw/zinc/25/41/39/1173254139.db2.gz QNMZPSBJLUULRV-UHFFFAOYSA-N -1 3 257.301 1.850 20 30 CDEDHM CC1(O)CCC(N=Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590150875 1173273385 /nfs/dbraw/zinc/27/33/85/1173273385.db2.gz QUGFYINGAFSBJK-UHFFFAOYSA-N -1 3 286.339 1.960 20 30 CDEDHM CC1(O)CCC(N=Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590150875 1173273390 /nfs/dbraw/zinc/27/33/90/1173273390.db2.gz QUGFYINGAFSBJK-UHFFFAOYSA-N -1 3 286.339 1.960 20 30 CDEDHM CC1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590181213 1173282043 /nfs/dbraw/zinc/28/20/43/1173282043.db2.gz MRWAGISNAPSGKC-UHFFFAOYSA-N -1 3 256.313 1.742 20 30 CDEDHM CC1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590181213 1173282048 /nfs/dbraw/zinc/28/20/48/1173282048.db2.gz MRWAGISNAPSGKC-UHFFFAOYSA-N -1 3 256.313 1.742 20 30 CDEDHM CN(C(=O)CSCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001590984311 1173558305 /nfs/dbraw/zinc/55/83/05/1173558305.db2.gz KGKWEMUPGSAIJB-UHFFFAOYSA-N -1 3 288.336 1.086 20 30 CDEDHM CN(C(=O)CSCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001590984311 1173558308 /nfs/dbraw/zinc/55/83/08/1173558308.db2.gz KGKWEMUPGSAIJB-UHFFFAOYSA-N -1 3 288.336 1.086 20 30 CDEDHM CO[C@H](Cn1cnc(C#N)c1-c1nnn[n-]1)c1ccccc1 ZINC001591334182 1173615849 /nfs/dbraw/zinc/61/58/49/1173615849.db2.gz NEVPRJVWOIANNO-GFCCVEGCSA-N -1 3 295.306 1.323 20 30 CDEDHM COc1cc(CN=Nc2ccn(C)n2)ccc1-c1nnn[n-]1 ZINC001591522931 1173667428 /nfs/dbraw/zinc/66/74/28/1173667428.db2.gz NJCMXMZJIPMJDD-UHFFFAOYSA-N -1 3 298.310 1.055 20 30 CDEDHM COc1cc(CN=Nc2ccn(C)n2)ccc1-c1nn[n-]n1 ZINC001591522931 1173667433 /nfs/dbraw/zinc/66/74/33/1173667433.db2.gz NJCMXMZJIPMJDD-UHFFFAOYSA-N -1 3 298.310 1.055 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N[C@H](C)CC#N ZINC001591841751 1173715938 /nfs/dbraw/zinc/71/59/38/1173715938.db2.gz CLGZFRSXVLWHMO-LLVKDONJSA-N -1 3 298.350 1.444 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N[C@H](C)CC#N ZINC001591841751 1173715943 /nfs/dbraw/zinc/71/59/43/1173715943.db2.gz CLGZFRSXVLWHMO-LLVKDONJSA-N -1 3 298.350 1.444 20 30 CDEDHM Cc1nc(N2CCC[C@](C)(C#N)C2)ccc1-c1nnn[n-]1 ZINC001592368737 1173871581 /nfs/dbraw/zinc/87/15/81/1173871581.db2.gz DPKYFFLIANTZFO-CQSZACIVSA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1nc(N2CCC[C@](C)(C#N)C2)ccc1-c1nn[n-]n1 ZINC001592368737 1173871590 /nfs/dbraw/zinc/87/15/90/1173871590.db2.gz DPKYFFLIANTZFO-CQSZACIVSA-N -1 3 283.339 1.700 20 30 CDEDHM N#CC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001592669407 1173960394 /nfs/dbraw/zinc/96/03/94/1173960394.db2.gz WWTNGHDXDIFZKV-UHFFFAOYSA-N -1 3 285.311 1.009 20 30 CDEDHM N#CC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001592669407 1173960402 /nfs/dbraw/zinc/96/04/02/1173960402.db2.gz WWTNGHDXDIFZKV-UHFFFAOYSA-N -1 3 285.311 1.009 20 30 CDEDHM N#CC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001592668655 1173960691 /nfs/dbraw/zinc/96/06/91/1173960691.db2.gz NZTLRPUBSCHORI-UHFFFAOYSA-N -1 3 297.322 1.682 20 30 CDEDHM N#CC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001592668655 1173960695 /nfs/dbraw/zinc/96/06/95/1173960695.db2.gz NZTLRPUBSCHORI-UHFFFAOYSA-N -1 3 297.322 1.682 20 30 CDEDHM N#C[C@H]1CCC[C@@H](OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001592673139 1173963656 /nfs/dbraw/zinc/96/36/56/1173963656.db2.gz VCICIKZGGLMOFG-WCBMZHEXSA-N -1 3 286.295 1.434 20 30 CDEDHM N#C[C@H]1CCC[C@@H](OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001592673139 1173963661 /nfs/dbraw/zinc/96/36/61/1173963661.db2.gz VCICIKZGGLMOFG-WCBMZHEXSA-N -1 3 286.295 1.434 20 30 CDEDHM N#Cc1ccc(OCc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001592695975 1173971705 /nfs/dbraw/zinc/97/17/05/1173971705.db2.gz WCPQEOUZWKGTNC-UHFFFAOYSA-N -1 3 278.275 1.712 20 30 CDEDHM N#Cc1ccc(OCc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001592695975 1173971712 /nfs/dbraw/zinc/97/17/12/1173971712.db2.gz WCPQEOUZWKGTNC-UHFFFAOYSA-N -1 3 278.275 1.712 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1CCC[C@H]1CCO ZINC001592699373 1173973554 /nfs/dbraw/zinc/97/35/54/1173973554.db2.gz XTVUDDBOXFZRMZ-GWCFXTLKSA-N -1 3 298.350 1.701 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1CCC[C@H]1CCO ZINC001592699373 1173973563 /nfs/dbraw/zinc/97/35/63/1173973563.db2.gz XTVUDDBOXFZRMZ-GWCFXTLKSA-N -1 3 298.350 1.701 20 30 CDEDHM N#Cc1ncccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC001592709394 1173980567 /nfs/dbraw/zinc/98/05/67/1173980567.db2.gz CTVORDNMZFPDAF-UHFFFAOYSA-N -1 3 296.265 1.851 20 30 CDEDHM N#Cc1ncccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC001592709394 1173980572 /nfs/dbraw/zinc/98/05/72/1173980572.db2.gz CTVORDNMZFPDAF-UHFFFAOYSA-N -1 3 296.265 1.851 20 30 CDEDHM N#Cc1ncc(OCCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001592708787 1173980981 /nfs/dbraw/zinc/98/09/81/1173980981.db2.gz POQUCKMJDHANCT-UHFFFAOYSA-N -1 3 293.290 1.150 20 30 CDEDHM N#Cc1ncc(OCCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001592708787 1173980987 /nfs/dbraw/zinc/98/09/87/1173980987.db2.gz POQUCKMJDHANCT-UHFFFAOYSA-N -1 3 293.290 1.150 20 30 CDEDHM C=CCN(CCC#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001602849573 1175433113 /nfs/dbraw/zinc/43/31/13/1175433113.db2.gz CXNNWYWMIPZVBU-UHFFFAOYSA-N -1 3 297.322 1.800 20 30 CDEDHM C=CCN(CCC#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001602849573 1175433114 /nfs/dbraw/zinc/43/31/14/1175433114.db2.gz CXNNWYWMIPZVBU-UHFFFAOYSA-N -1 3 297.322 1.800 20 30 CDEDHM C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001602887474 1175444340 /nfs/dbraw/zinc/44/43/40/1175444340.db2.gz XILHAYDDHBJJAK-KGLIPLIRSA-N -1 3 296.411 1.844 20 30 CDEDHM CC(C)(C)C(=O)CCN1CCC(C#N)(C(=O)[O-])CC1 ZINC001603295732 1175533080 /nfs/dbraw/zinc/53/30/80/1175533080.db2.gz LSSNBIIJEQZBQW-UHFFFAOYSA-N -1 3 266.341 1.682 20 30 CDEDHM C[C@]1(C#N)CCN(Cc2csc(-c3nnn[n-]3)c2)C1 ZINC001603736070 1175611781 /nfs/dbraw/zinc/61/17/81/1175611781.db2.gz 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CC(C)(S)CNC(=O)c1nn[n-]c1C(F)(F)F ZINC001187770631 920628695 /nfs/dbraw/zinc/62/86/95/920628695.db2.gz OMDNXWYSDSOXFP-UHFFFAOYSA-N -1 3 268.264 1.262 20 30 CDEDHM CC(C)(S)CNC(=O)c1[n-]nnc1C(F)(F)F ZINC001187770631 920628705 /nfs/dbraw/zinc/62/87/05/920628705.db2.gz OMDNXWYSDSOXFP-UHFFFAOYSA-N -1 3 268.264 1.262 20 30 CDEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2CCOCC2)c1 ZINC001190608170 922102546 /nfs/dbraw/zinc/10/25/46/922102546.db2.gz KJSPPOXNINAYIK-UHFFFAOYSA-N -1 3 284.312 1.155 20 30 CDEDHM CN1CCC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2F)C1 ZINC001190660645 922105005 /nfs/dbraw/zinc/10/50/05/922105005.db2.gz ANUKJKJDHHOUMK-NSHDSACASA-N -1 3 297.355 1.070 20 30 CDEDHM CC/C=C/[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190669359 922107878 /nfs/dbraw/zinc/10/78/78/922107878.db2.gz ONAIDJRHWQHWEJ-ZZXKWVIFSA-N -1 3 254.286 1.899 20 30 CDEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CC2)c1 ZINC001190681873 922131105 /nfs/dbraw/zinc/13/11/05/922131105.db2.gz PPEOEBLVLLUQLG-PWSUYJOCSA-N -1 3 280.324 1.774 20 30 CDEDHM C#CCN1CC2(C1)CCN(C(=O)c1ccccc1[O-])CC2 ZINC001035659067 923022501 /nfs/dbraw/zinc/02/25/01/923022501.db2.gz RZADNGOURYCTMP-UHFFFAOYSA-N -1 3 284.359 1.563 20 30 CDEDHM Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)n(CC2CC2)n1 ZINC001193110641 923453507 /nfs/dbraw/zinc/45/35/07/923453507.db2.gz AEFXQIULYWONPC-VIFPVBQESA-N -1 3 268.342 1.255 20 30 CDEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccnn1C1CCC1 ZINC001193111377 923454858 /nfs/dbraw/zinc/45/48/58/923454858.db2.gz FQXZLLOAHFCHST-QMMMGPOBSA-N -1 3 254.315 1.262 20 30 CDEDHM Cc1ccc(=O)[nH]c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001193197091 923520785 /nfs/dbraw/zinc/52/07/85/923520785.db2.gz FUIDJHFSYRIXCN-UHFFFAOYSA-N -1 3 269.260 1.925 20 30 CDEDHM COc1ccc(OC(=O)N[C@@H]2C(=O)N([O-])C[C@@H]2C)cc1 ZINC001194558148 924274820 /nfs/dbraw/zinc/27/48/20/924274820.db2.gz RHZNSAFFHQLHIS-KWQFWETISA-N -1 3 280.280 1.020 20 30 CDEDHM C#CCOC[C@@H](O)CNc1ccc(F)c(F)c1[O-] ZINC001251874643 925678433 /nfs/dbraw/zinc/67/84/33/925678433.db2.gz RJPQFKJUVHCALU-QMMMGPOBSA-N -1 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C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncc2ccccc2c1C#N ZINC001171363708 932868572 /nfs/dbraw/zinc/86/85/72/932868572.db2.gz MWJCRMWSGBJPKM-ZANVPECISA-N -1 3 282.303 1.754 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccnc(-c2ccccc2)n1 ZINC001160173242 938773053 /nfs/dbraw/zinc/77/30/53/938773053.db2.gz BXNNIGLBFRDINH-GWCFXTLKSA-N -1 3 284.319 1.792 20 30 CDEDHM CC#Cc1cncc(-n2c3[n-]c(=O)sc3c(=O)nc2N)c1 ZINC001163048616 939185036 /nfs/dbraw/zinc/18/50/36/939185036.db2.gz BFRNSWUJFVIRMB-UHFFFAOYSA-N -1 3 299.315 1.139 20 30 CDEDHM Cc1nc(Cl)c(C#N)c(NCCCc2c[n-][nH]c2=O)n1 ZINC001164370507 939465721 /nfs/dbraw/zinc/46/57/21/939465721.db2.gz FRDZFPTXCNXXBO-QMMMGPOBSA-N -1 3 292.730 1.234 20 30 CDEDHM Cc1cnc(NCCCc2c[n-][nH]c2=O)cc1C#N ZINC001164372830 939467008 /nfs/dbraw/zinc/46/70/08/939467008.db2.gz UPVISDIRIKRMHJ-JTQLQIEISA-N -1 3 257.297 1.186 20 30 CDEDHM N#Cc1cc2cccnc2nc1NCCCc1c[n-][nH]c1=O ZINC001164375477 939467559 /nfs/dbraw/zinc/46/75/59/939467559.db2.gz UEASSVLPJWEDMS-LLVKDONJSA-N -1 3 294.318 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3 286.320 1.558 20 30 CDEDHM C=CCNC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000819751043 606323968 /nfs/dbraw/zinc/32/39/68/606323968.db2.gz NEORTKAHUFGASD-SECBINFHSA-N -1 3 289.364 1.650 20 30 CDEDHM C=CCNC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000819751043 606323966 /nfs/dbraw/zinc/32/39/66/606323966.db2.gz NEORTKAHUFGASD-SECBINFHSA-N -1 3 289.364 1.650 20 30 CDEDHM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819898870 606433379 /nfs/dbraw/zinc/43/33/79/606433379.db2.gz JPSLFUAAHLNCJW-NSHDSACASA-N -1 3 284.323 1.535 20 30 CDEDHM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819898870 606433381 /nfs/dbraw/zinc/43/33/81/606433381.db2.gz JPSLFUAAHLNCJW-NSHDSACASA-N -1 3 284.323 1.535 20 30 CDEDHM C=CC[C@@H](C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819730012 606564453 /nfs/dbraw/zinc/56/44/53/606564453.db2.gz PNSOSXOKOFTNRK-SNVBAGLBSA-N -1 3 271.324 1.490 20 30 CDEDHM C=CC[C@@H](C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819730012 606564454 /nfs/dbraw/zinc/56/44/54/606564454.db2.gz PNSOSXOKOFTNRK-SNVBAGLBSA-N -1 3 271.324 1.490 20 30 CDEDHM C=C(Cl)C[C@@H](N)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001602788974 1175404130 /nfs/dbraw/zinc/40/41/30/1175404130.db2.gz SGWGRECTVPQHHZ-SNVBAGLBSA-N -1 3 288.775 1.750 20 30 CDEDHM C=CCCS(=O)(=O)Oc1cccc(-c2nnn[n-]2)c1 ZINC000819739628 606748224 /nfs/dbraw/zinc/74/82/24/606748224.db2.gz BESRVVDXZWUCAJ-UHFFFAOYSA-N -1 3 280.309 1.151 20 30 CDEDHM C=CCCS(=O)(=O)Oc1cccc(-c2nn[n-]n2)c1 ZINC000819739628 606748226 /nfs/dbraw/zinc/74/82/26/606748226.db2.gz BESRVVDXZWUCAJ-UHFFFAOYSA-N -1 3 280.309 1.151 20 30 CDEDHM C=C[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819730353 606766081 /nfs/dbraw/zinc/76/60/81/606766081.db2.gz XETQLURKKNEKBY-QMMMGPOBSA-N -1 3 258.285 1.563 20 30 CDEDHM C=C[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819730353 606766083 /nfs/dbraw/zinc/76/60/83/606766083.db2.gz XETQLURKKNEKBY-QMMMGPOBSA-N -1 3 258.285 1.563 20 30 CDEDHM CN(CCC#N)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821598178 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N#C[C@@H](C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccn1 ZINC000826379291 607776762 /nfs/dbraw/zinc/77/67/62/607776762.db2.gz OAOUBJUHGJMGCS-MRVPVSSYSA-N -1 3 279.263 1.080 20 30 CDEDHM Cc1nn(C)cc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826334333 607884917 /nfs/dbraw/zinc/88/49/17/607884917.db2.gz QLIIJHXBJZSZPW-BQYQJAHWSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1nn(C)cc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826334333 607884918 /nfs/dbraw/zinc/88/49/18/607884918.db2.gz QLIIJHXBJZSZPW-BQYQJAHWSA-N -1 3 294.318 1.805 20 30 CDEDHM C#CCNC(=S)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823850030 607966197 /nfs/dbraw/zinc/96/61/97/607966197.db2.gz IFBYCMUTNKQOCQ-SECBINFHSA-N -1 3 286.364 1.025 20 30 CDEDHM C#CCNC(=S)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823850030 607966198 /nfs/dbraw/zinc/96/61/98/607966198.db2.gz IFBYCMUTNKQOCQ-SECBINFHSA-N -1 3 286.364 1.025 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1CN(C)C[C@H](C)C#N ZINC000826167917 608358629 /nfs/dbraw/zinc/35/86/29/608358629.db2.gz VYENNTLQMXDNCV-SNVBAGLBSA-N -1 3 286.339 1.467 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1CN(C)C[C@H](C)C#N ZINC000826167917 608358631 /nfs/dbraw/zinc/35/86/31/608358631.db2.gz VYENNTLQMXDNCV-SNVBAGLBSA-N -1 3 286.339 1.467 20 30 CDEDHM C#C[C@H](OC(=O)c1sccc1-c1nnn[n-]1)C1CC1 ZINC000823837540 608454772 /nfs/dbraw/zinc/45/47/72/608454772.db2.gz DXRTWTRSZNQANH-VIFPVBQESA-N -1 3 274.305 1.497 20 30 CDEDHM C=CCN(C)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001602847284 1175431597 /nfs/dbraw/zinc/43/15/97/1175431597.db2.gz NPESKBNGDXOFIS-UHFFFAOYSA-N -1 3 279.250 1.403 20 30 CDEDHM C=CCN(C)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001602847284 1175431599 /nfs/dbraw/zinc/43/15/99/1175431599.db2.gz NPESKBNGDXOFIS-UHFFFAOYSA-N -1 3 279.250 1.403 20 30 CDEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cnccn1 ZINC000826401132 608881228 /nfs/dbraw/zinc/88/12/28/608881228.db2.gz QITRCBCWBVOSHO-DUXPYHPUSA-N -1 3 296.265 1.692 20 30 CDEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cnccn1 ZINC000826401132 608881230 /nfs/dbraw/zinc/88/12/30/608881230.db2.gz 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Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CCCN([O-])C1=O ZINC000895156951 619371672 /nfs/dbraw/zinc/37/16/72/619371672.db2.gz JFPIBRNFYVWAGA-GFCCVEGCSA-N -1 3 293.323 1.681 20 30 CDEDHM O=C1[C@@H](NCc2sccc2Cl)CCCN1[O-] ZINC000895159457 619375752 /nfs/dbraw/zinc/37/57/52/619375752.db2.gz FWWLUGMHHRSXIT-QMMMGPOBSA-N -1 3 260.746 1.871 20 30 CDEDHM CC(C)c1ncc(CN[C@@H]2CCCN([O-])C2=O)s1 ZINC000895162487 619384243 /nfs/dbraw/zinc/38/42/43/619384243.db2.gz LUULPINETHALLT-SNVBAGLBSA-N -1 3 269.370 1.736 20 30 CDEDHM O=C1[C@H](NCc2cc(Cl)cc3c2OCC3)CCCN1[O-] ZINC000895163837 619388098 /nfs/dbraw/zinc/38/80/98/619388098.db2.gz ZSCHZIKIKAJJLX-GFCCVEGCSA-N -1 3 296.754 1.745 20 30 CDEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CSC[C@H]2C)c1[O-] ZINC000794675714 619429696 /nfs/dbraw/zinc/42/96/96/619429696.db2.gz FIGPBTRYSVNVDJ-KMPSKEEXSA-N -1 3 266.366 1.758 20 30 CDEDHM COC(=O)CCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173425 626209830 /nfs/dbraw/zinc/20/98/30/626209830.db2.gz MLIPFZIDHZBYAS-UHFFFAOYSA-N -1 3 269.272 1.887 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FVJNHDGSMOAVFI-UHFFFAOYSA-N -1 3 297.318 1.646 20 30 CDEDHM N#Cc1cc(Oc2ccccc2-c2nnn[n-]2)ccn1 ZINC001606363682 1163878461 /nfs/dbraw/zinc/87/84/61/1163878461.db2.gz NINIVPGVBWQFRF-UHFFFAOYSA-N -1 3 264.248 1.926 20 30 CDEDHM N#Cc1cc(Oc2ccccc2-c2nn[n-]n2)ccn1 ZINC001606363682 1163878465 /nfs/dbraw/zinc/87/84/65/1163878465.db2.gz NINIVPGVBWQFRF-UHFFFAOYSA-N -1 3 264.248 1.926 20 30 CDEDHM N#Cc1ccn(CCc2ccc(-c3nnn[n-]3)cc2)c(=O)c1 ZINC001606388959 1163884899 /nfs/dbraw/zinc/88/48/99/1163884899.db2.gz IEFXIXRWVVHFLV-UHFFFAOYSA-N -1 3 292.302 1.143 20 30 CDEDHM N#Cc1ccn(CCc2ccc(-c3nn[n-]n3)cc2)c(=O)c1 ZINC001606388959 1163884903 /nfs/dbraw/zinc/88/49/03/1163884903.db2.gz IEFXIXRWVVHFLV-UHFFFAOYSA-N -1 3 292.302 1.143 20 30 CDEDHM N#CCCC[C@H](N)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001608179872 1164438822 /nfs/dbraw/zinc/43/88/22/1164438822.db2.gz BVIANESUQLIJBC-MROQNXINSA-N -1 3 293.367 1.109 20 30 CDEDHM C=C(C)CCc1noc(-c2ccc(-c3nnn[n-]3)cn2)n1 ZINC001609051432 1164745623 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N#CC1(CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001609493623 1164974129 /nfs/dbraw/zinc/97/41/29/1164974129.db2.gz MZNJLGYEZNANNQ-UHFFFAOYSA-N -1 3 258.260 1.721 20 30 CDEDHM N#CC1(CNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001609493623 1164974135 /nfs/dbraw/zinc/97/41/35/1164974135.db2.gz MZNJLGYEZNANNQ-UHFFFAOYSA-N -1 3 258.260 1.721 20 30 CDEDHM N#Cc1cnn(Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001609500613 1164978214 /nfs/dbraw/zinc/97/82/14/1164978214.db2.gz MIIQZXRINVYPQW-UHFFFAOYSA-N -1 3 269.243 1.122 20 30 CDEDHM N#Cc1cnn(Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001609500613 1164978221 /nfs/dbraw/zinc/97/82/21/1164978221.db2.gz MIIQZXRINVYPQW-UHFFFAOYSA-N -1 3 269.243 1.122 20 30 CDEDHM N#Cc1cccc2c1CCN2C(=O)c1cc(=O)[n-]cn1 ZINC001639541187 1166949498 /nfs/dbraw/zinc/94/94/98/1166949498.db2.gz LCNPCULQRSRXTN-UHFFFAOYSA-N -1 3 266.260 1.257 20 30 CDEDHM Cc1nc(C)c(CC(=O)N2CCC[C@@H](CC#N)C2)c(=O)[n-]1 ZINC001647307757 1168545200 /nfs/dbraw/zinc/54/52/00/1168545200.db2.gz HQQZHHOAFQWBQY-LBPRGKRZSA-N -1 3 288.351 1.494 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ZINC001588930738 1173115735 /nfs/dbraw/zinc/11/57/35/1173115735.db2.gz JOBBCCMWVKVLCH-QMMMGPOBSA-N -1 3 282.307 1.842 20 30 CDEDHM C[C@@H](C#N)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588930738 1173115738 /nfs/dbraw/zinc/11/57/38/1173115738.db2.gz JOBBCCMWVKVLCH-QMMMGPOBSA-N -1 3 282.307 1.842 20 30 CDEDHM C[C@H](C#N)N(C)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588934788 1173117100 /nfs/dbraw/zinc/11/71/00/1173117100.db2.gz VOHNRPOHCUVRTI-SSDOTTSWSA-N -1 3 290.714 1.504 20 30 CDEDHM C[C@H](C#N)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588934788 1173117102 /nfs/dbraw/zinc/11/71/02/1173117102.db2.gz VOHNRPOHCUVRTI-SSDOTTSWSA-N -1 3 290.714 1.504 20 30 CDEDHM CC(C)(C#N)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001589033738 1173120461 /nfs/dbraw/zinc/12/04/61/1173120461.db2.gz JTSHBQMSQURRSE-UHFFFAOYSA-N -1 3 284.323 1.423 20 30 CDEDHM CC(C)(C#N)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001589033738 1173120465 /nfs/dbraw/zinc/12/04/65/1173120465.db2.gz JTSHBQMSQURRSE-UHFFFAOYSA-N -1 3 284.323 1.423 20 30 CDEDHM C[C@H](CC#N)C(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001589786359 1173180111 /nfs/dbraw/zinc/18/01/11/1173180111.db2.gz HYWXKDLRJVFFQV-SNVBAGLBSA-N -1 3 296.334 1.696 20 30 CDEDHM C[C@H](CC#N)C(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001589786359 1173180115 /nfs/dbraw/zinc/18/01/15/1173180115.db2.gz HYWXKDLRJVFFQV-SNVBAGLBSA-N -1 3 296.334 1.696 20 30 CDEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C#N)CC1 ZINC001589895336 1173198715 /nfs/dbraw/zinc/19/87/15/1173198715.db2.gz SSCCURFTWVGTQK-JTQLQIEISA-N -1 3 296.334 1.218 20 30 CDEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C#N)CC1 ZINC001589895336 1173198717 /nfs/dbraw/zinc/19/87/17/1173198717.db2.gz SSCCURFTWVGTQK-JTQLQIEISA-N -1 3 296.334 1.218 20 30 CDEDHM C[C@]1(C#N)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001590056802 1173243924 /nfs/dbraw/zinc/24/39/24/1173243924.db2.gz TUYYMCRUKGOWQJ-GFCCVEGCSA-N -1 3 289.730 1.655 20 30 CDEDHM C[C@]1(C#N)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001590056802 1173243931 /nfs/dbraw/zinc/24/39/31/1173243931.db2.gz TUYYMCRUKGOWQJ-GFCCVEGCSA-N -1 3 289.730 1.655 20 30 CDEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590085507 1173252577 /nfs/dbraw/zinc/25/25/77/1173252577.db2.gz RBFIXTJPPMIGEI-LBPRGKRZSA-N -1 3 288.336 1.350 20 30 CDEDHM CC[C@@H](C#N)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590367879 1173378268 /nfs/dbraw/zinc/37/82/68/1173378268.db2.gz LYVLLGLEFLPWGD-BCPZQOPPSA-N -1 3 296.334 1.640 20 30 CDEDHM CC[C@@H](C#N)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590367879 1173378273 /nfs/dbraw/zinc/37/82/73/1173378273.db2.gz LYVLLGLEFLPWGD-BCPZQOPPSA-N -1 3 296.334 1.640 20 30 CDEDHM CC[C@H](CCO)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590440158 1173411157 /nfs/dbraw/zinc/41/11/57/1173411157.db2.gz WHCDWDKIZKTCHC-SNVBAGLBSA-N -1 3 286.339 1.559 20 30 CDEDHM CC[C@H](CCO)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590440158 1173411162 /nfs/dbraw/zinc/41/11/62/1173411162.db2.gz WHCDWDKIZKTCHC-SNVBAGLBSA-N -1 3 286.339 1.559 20 30 CDEDHM Cc1c(C(=O)NC(C)(C)C#N)cccc1-c1nnn[n-]1 ZINC001591805011 1173707659 /nfs/dbraw/zinc/70/76/59/1173707659.db2.gz AFBIMDNHZFKFJI-UHFFFAOYSA-N -1 3 270.296 1.207 20 30 CDEDHM Cc1c(C(=O)NC(C)(C)C#N)cccc1-c1nn[n-]n1 ZINC001591805011 1173707661 /nfs/dbraw/zinc/70/76/61/1173707661.db2.gz AFBIMDNHZFKFJI-UHFFFAOYSA-N -1 3 270.296 1.207 20 30 CDEDHM Cc1cc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)ncc1-c1nnn[n-]1 ZINC001591936467 1173749112 /nfs/dbraw/zinc/74/91/12/1173749112.db2.gz READOUMJODVYMH-NXEZZACHSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1cc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)ncc1-c1nn[n-]n1 ZINC001591936467 1173749116 /nfs/dbraw/zinc/74/91/16/1173749116.db2.gz READOUMJODVYMH-NXEZZACHSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1cc(C=NNC2CCOCC2)ccc1-c1nnn[n-]1 ZINC001591958332 1173752119 /nfs/dbraw/zinc/75/21/19/1173752119.db2.gz ATAPZQZAOZSGFF-UHFFFAOYSA-N -1 3 286.339 1.278 20 30 CDEDHM Cc1cc(C=NNC2CCOCC2)ccc1-c1nn[n-]n1 ZINC001591958332 1173752124 /nfs/dbraw/zinc/75/21/24/1173752124.db2.gz ATAPZQZAOZSGFF-UHFFFAOYSA-N -1 3 286.339 1.278 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N(C)CC(C)(C)C#N ZINC001592094777 1173797085 /nfs/dbraw/zinc/79/70/85/1173797085.db2.gz JRIATYDIVPTYMC-UHFFFAOYSA-N -1 3 298.350 1.797 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N(C)CC(C)(C)C#N ZINC001592094777 1173797090 /nfs/dbraw/zinc/79/70/90/1173797090.db2.gz JRIATYDIVPTYMC-UHFFFAOYSA-N -1 3 298.350 1.797 20 30 CDEDHM FC1(C=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592628107 1173935612 /nfs/dbraw/zinc/93/56/12/1173935612.db2.gz RBXJNSNXZRPFLZ-UHFFFAOYSA-N -1 3 260.276 1.444 20 30 CDEDHM FC1(C=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592628107 1173935624 /nfs/dbraw/zinc/93/56/24/1173935624.db2.gz RBXJNSNXZRPFLZ-UHFFFAOYSA-N -1 3 260.276 1.444 20 30 CDEDHM N#CC1(CNc2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC001592670337 1173961091 /nfs/dbraw/zinc/96/10/91/1173961091.db2.gz YDDHLSPBPUHKLD-UHFFFAOYSA-N -1 3 276.250 1.861 20 30 CDEDHM N#CC1(CNc2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC001592670337 1173961094 /nfs/dbraw/zinc/96/10/94/1173961094.db2.gz YDDHLSPBPUHKLD-UHFFFAOYSA-N -1 3 276.250 1.861 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2n[nH]cc2C1 ZINC001592698878 1173974309 /nfs/dbraw/zinc/97/43/09/1173974309.db2.gz LIVIWLQNHUUKHV-UHFFFAOYSA-N -1 3 292.306 1.024 20 30 CDEDHM N#Cc1ccc(Sc2cc(-c3nnn[n-]3)cnn2)cc1 ZINC001592697097 1173974756 /nfs/dbraw/zinc/97/47/56/1173974756.db2.gz DMMKJVJNIRRMFS-UHFFFAOYSA-N -1 3 281.304 1.680 20 30 CDEDHM N#Cc1ccc(Sc2cc(-c3nn[n-]n3)cnn2)cc1 ZINC001592697097 1173974763 /nfs/dbraw/zinc/97/47/63/1173974763.db2.gz DMMKJVJNIRRMFS-UHFFFAOYSA-N -1 3 281.304 1.680 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCC[C@@H]1CCO ZINC001592699376 1173975220 /nfs/dbraw/zinc/97/52/20/1173975220.db2.gz XTVUDDBOXFZRMZ-ZWNOBZJWSA-N -1 3 298.350 1.701 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCC[C@@H]1CCO ZINC001592699376 1173975226 /nfs/dbraw/zinc/97/52/26/1173975226.db2.gz XTVUDDBOXFZRMZ-ZWNOBZJWSA-N -1 3 298.350 1.701 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H]2C[C@H]21 ZINC001592699360 1173976095 /nfs/dbraw/zinc/97/60/95/1173976095.db2.gz WZPKLFDEGQZPHP-JOYOIKCWSA-N -1 3 266.308 1.727 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H]2C[C@H]21 ZINC001592699360 1173976105 /nfs/dbraw/zinc/97/61/05/1173976105.db2.gz WZPKLFDEGQZPHP-JOYOIKCWSA-N -1 3 266.308 1.727 20 30 CDEDHM N#Cc1cncc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001592704906 1173977911 /nfs/dbraw/zinc/97/79/11/1173977911.db2.gz YFCVZKYQGKFRPC-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1cncc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001592704906 1173977916 /nfs/dbraw/zinc/97/79/16/1173977916.db2.gz YFCVZKYQGKFRPC-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1nc(N)n(C/C=C/c2ccccc2)c1-c1nnn[n-]1 ZINC001592705816 1173978379 /nfs/dbraw/zinc/97/83/79/1173978379.db2.gz FZILZQXQYGNFCW-QPJJXVBHSA-N -1 3 292.306 1.230 20 30 CDEDHM N#Cc1nc(N)n(C/C=C/c2ccccc2)c1-c1nn[n-]n1 ZINC001592705816 1173978384 /nfs/dbraw/zinc/97/83/84/1173978384.db2.gz FZILZQXQYGNFCW-QPJJXVBHSA-N -1 3 292.306 1.230 20 30 CDEDHM N#Cc1ncn(CC=C(Cl)Cl)c1-c1nnn[n-]1 ZINC001592709523 1173979689 /nfs/dbraw/zinc/97/96/89/1173979689.db2.gz IFBUSOAKYXALEB-UHFFFAOYSA-N -1 3 270.083 1.254 20 30 CDEDHM N#Cc1ncn(CC[C@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC001592709347 1173981580 /nfs/dbraw/zinc/98/15/80/1173981580.db2.gz CFWBEVZZHJRENQ-LBPRGKRZSA-N -1 3 295.306 1.059 20 30 CDEDHM C#C[C@H](CC)Nc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC001602687645 1175351936 /nfs/dbraw/zinc/35/19/36/1175351936.db2.gz DFONGGDVCGARBB-SECBINFHSA-N -1 3 257.301 1.097 20 30 CDEDHM C#C[C@H](CC)Nc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC001602687645 1175351944 /nfs/dbraw/zinc/35/19/44/1175351944.db2.gz DFONGGDVCGARBB-SECBINFHSA-N -1 3 257.301 1.097 20 30 CDEDHM C#C[C@@H](CC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001602690627 1175353593 /nfs/dbraw/zinc/35/35/93/1175353593.db2.gz XURNNPHPJCESLO-VIFPVBQESA-N -1 3 288.286 1.539 20 30 CDEDHM C#C[C@@H](CC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001602690627 1175353598 /nfs/dbraw/zinc/35/35/98/1175353598.db2.gz XURNNPHPJCESLO-VIFPVBQESA-N -1 3 288.286 1.539 20 30 CDEDHM C#C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001602691234 1175357438 /nfs/dbraw/zinc/35/74/38/1175357438.db2.gz VDURHCACZKHADP-GWCFXTLKSA-N -1 3 299.334 1.554 20 30 CDEDHM C#C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001602691234 1175357445 /nfs/dbraw/zinc/35/74/45/1175357445.db2.gz VDURHCACZKHADP-GWCFXTLKSA-N -1 3 299.334 1.554 20 30 CDEDHM C#CCC[C@@H](O)CNCc1ccccc1OCC(=O)[O-] ZINC001602701319 1175365171 /nfs/dbraw/zinc/36/51/71/1175365171.db2.gz FSPJQQSRYLALRI-CYBMUJFWSA-N -1 3 277.320 1.014 20 30 CDEDHM C#CCCCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC001602702244 1175365404 /nfs/dbraw/zinc/36/54/04/1175365404.db2.gz DGLNGEZTIPIAMZ-UHFFFAOYSA-N -1 3 269.308 1.633 20 30 CDEDHM C#CCCCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC001602702244 1175365418 /nfs/dbraw/zinc/36/54/18/1175365418.db2.gz DGLNGEZTIPIAMZ-UHFFFAOYSA-N -1 3 269.308 1.633 20 30 CDEDHM C#CC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001602703678 1175367356 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CC(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001602995302 1175474218 /nfs/dbraw/zinc/47/42/18/1175474218.db2.gz QJPOMZKSILLZCC-OAHLLOKOSA-N -1 3 286.331 1.985 20 30 CDEDHM C[C@H](CC#N)C(=O)OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603443646 1175553101 /nfs/dbraw/zinc/55/31/01/1175553101.db2.gz WMHLRRZWDKDXHB-MRVPVSSYSA-N -1 3 289.270 1.599 20 30 CDEDHM C[C@H](CC#N)C(=O)OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001603443646 1175553108 /nfs/dbraw/zinc/55/31/08/1175553108.db2.gz WMHLRRZWDKDXHB-MRVPVSSYSA-N -1 3 289.270 1.599 20 30 CDEDHM CC(COC(C)C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001603568857 1175568902 /nfs/dbraw/zinc/56/89/02/1175568902.db2.gz HMHGPKZWVYHRRS-UHFFFAOYSA-N -1 3 288.355 1.757 20 30 CDEDHM CC(COC(C)C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001603568857 1175568908 /nfs/dbraw/zinc/56/89/08/1175568908.db2.gz HMHGPKZWVYHRRS-UHFFFAOYSA-N -1 3 288.355 1.757 20 30 CDEDHM C[C@@H]1C[C@H](CNc2c(C#N)cccc2-c2nnn[n-]2)[C@H](C)O1 ZINC001603850245 1175653449 /nfs/dbraw/zinc/65/34/49/1175653449.db2.gz DXVFOAHKJWNUOF-JFGNBEQYSA-N -1 3 298.350 1.964 20 30 CDEDHM C[C@@H]1C[C@H](CNc2c(C#N)cccc2-c2nn[n-]n2)[C@H](C)O1 ZINC001603850245 1175653460 /nfs/dbraw/zinc/65/34/60/1175653460.db2.gz DXVFOAHKJWNUOF-JFGNBEQYSA-N -1 3 298.350 1.964 20 30 CDEDHM CC[C@@H](C)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001604008564 1175718473 /nfs/dbraw/zinc/71/84/73/1175718473.db2.gz XRYUFFOFXMHTHL-MRVPVSSYSA-N -1 3 262.292 1.728 20 30 CDEDHM CC[C@@H](C)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001604008564 1175718484 /nfs/dbraw/zinc/71/84/84/1175718484.db2.gz XRYUFFOFXMHTHL-MRVPVSSYSA-N -1 3 262.292 1.728 20 30 CDEDHM CC[C@H](CC#N)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001604013727 1175719449 /nfs/dbraw/zinc/71/94/49/1175719449.db2.gz NOKOKGGHAMCSEB-LLVKDONJSA-N -1 3 274.303 1.788 20 30 CDEDHM CC[C@H](CC#N)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001604013727 1175719455 /nfs/dbraw/zinc/71/94/55/1175719455.db2.gz NOKOKGGHAMCSEB-LLVKDONJSA-N -1 3 274.303 1.788 20 30 CDEDHM C=CCNC(=O)[C@H](C)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000221390171 1177915052 /nfs/dbraw/zinc/91/50/52/1177915052.db2.gz ATYUVDOTZTUGAW-RYUDHWBXSA-N -1 3 268.357 1.254 20 30 CDEDHM C[C@@](CNCC#N)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001753513696 1185242376 /nfs/dbraw/zinc/24/23/76/1185242376.db2.gz UJGAJKYTLHZFHY-HNNXBMFYSA-N -1 3 273.336 1.404 20 30 CDEDHM C=CCCN1CC(CCO)(NC(=O)c2ccccc2[O-])C1 ZINC001755329882 1185922026 /nfs/dbraw/zinc/92/20/26/1185922026.db2.gz DNCNSRGNOCVZGS-UHFFFAOYSA-N -1 3 290.363 1.135 20 30 CDEDHM N#Cc1ccc([N-]S(=O)(=O)C2CCOCC2)cc1F ZINC000308028767 1186660214 /nfs/dbraw/zinc/66/02/14/1186660214.db2.gz YOXBAFIFUSMGIV-UHFFFAOYSA-N -1 3 284.312 1.618 20 30 CDEDHM C#CCN(CC1CC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001609020827 1164727791 /nfs/dbraw/zinc/72/77/91/1164727791.db2.gz LSXKKZFPFJRUPT-UHFFFAOYSA-N -1 3 288.742 1.765 20 30 CDEDHM C=C(C)CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609051475 1164745137 /nfs/dbraw/zinc/74/51/37/1164745137.db2.gz BETQGSXIGHBWDD-UHFFFAOYSA-N -1 3 258.285 1.564 20 30 CDEDHM C=C(C)CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609051475 1164745142 /nfs/dbraw/zinc/74/51/42/1164745142.db2.gz BETQGSXIGHBWDD-UHFFFAOYSA-N -1 3 258.285 1.564 20 30 CDEDHM C=CCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001609054898 1164750195 /nfs/dbraw/zinc/75/01/95/1164750195.db2.gz KXSVVHAKDKWOLQ-UHFFFAOYSA-N -1 3 275.272 1.548 20 30 CDEDHM C=CCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001609054898 1164750201 /nfs/dbraw/zinc/75/02/01/1164750201.db2.gz KXSVVHAKDKWOLQ-UHFFFAOYSA-N -1 3 275.272 1.548 20 30 CDEDHM CC[C@@H](C#N)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001609182021 1164823790 /nfs/dbraw/zinc/82/37/90/1164823790.db2.gz LLJOWAYTEZFOHK-ZETCQYMHSA-N -1 3 286.324 1.110 20 30 CDEDHM CC[C@@H](C#N)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001609182021 1164823801 /nfs/dbraw/zinc/82/38/01/1164823801.db2.gz LLJOWAYTEZFOHK-ZETCQYMHSA-N -1 3 286.324 1.110 20 30 CDEDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)N(C)CCC#N ZINC000786027362 751382874 /nfs/dbraw/zinc/38/28/74/751382874.db2.gz BTWNAVYIYPTVDX-SECBINFHSA-N -1 3 289.291 1.678 20 30 CDEDHM Cc1cccc(CC(=O)N[C@@H]2CCCN([O-])C2=O)c1Cl ZINC000848134442 751470657 /nfs/dbraw/zinc/47/06/57/751470657.db2.gz VGWUZXRXQIHLCX-LLVKDONJSA-N -1 3 296.754 1.687 20 30 CDEDHM Cc1ncc(CO)c(/C=N/[C@H](C)[C@H]2CCOC2)c1[O-] ZINC000798343754 751655199 /nfs/dbraw/zinc/65/51/99/751655199.db2.gz PHRVJYNFLCIXKL-ILNCWZJJSA-N -1 3 264.325 1.432 20 30 CDEDHM C=C(C)CN1CCO[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001035296735 751804601 /nfs/dbraw/zinc/80/46/01/751804601.db2.gz OIMUSIAFKPLMTH-ZDUSSCGKSA-N -1 3 290.363 1.399 20 30 CDEDHM C=CCN1CC[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001042022714 751824803 /nfs/dbraw/zinc/82/48/03/751824803.db2.gz MTIIBJGNYZRZHK-QWHCGFSZSA-N -1 3 287.363 1.510 20 30 CDEDHM CC#CCN1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001032919699 751860586 /nfs/dbraw/zinc/86/05/86/751860586.db2.gz KYVWFDQBKMMTQK-ZDUSSCGKSA-N -1 3 272.348 1.562 20 30 CDEDHM N#CCN1CCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001034103953 751918563 /nfs/dbraw/zinc/91/85/63/751918563.db2.gz FHLZVPROHSZXFW-LBPRGKRZSA-N -1 3 273.336 1.500 20 30 CDEDHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](C#N)C2)cc1[O-] ZINC000928217201 752253254 /nfs/dbraw/zinc/25/32/54/752253254.db2.gz KLQWJXYTZNUVCD-NSHDSACASA-N -1 3 272.304 1.971 20 30 CDEDHM COC(=O)[C@H](CC1CC1)/N=C/c1c([O-])c(C)ncc1CO ZINC000840709053 749589324 /nfs/dbraw/zinc/58/93/24/749589324.db2.gz AORWHTWJKYJABW-SRYMZENNSA-N -1 3 292.335 1.349 20 30 CDEDHM C#C[C@H](C)[N-]S(=O)(=O)c1cscc1Br ZINC000867197890 749624169 /nfs/dbraw/zinc/62/41/69/749624169.db2.gz BQLIUVPNIWAZCN-LURJTMIESA-N -1 3 294.195 1.811 20 30 CDEDHM C#C[C@@H](NC(=O)c1c(C)cccc1[O-])[C@@H]1CCCO1 ZINC000860942551 749815015 /nfs/dbraw/zinc/81/50/15/749815015.db2.gz NSABIOSZWNYXBF-YPMHNXCESA-N -1 3 259.305 1.611 20 30 CDEDHM Cc1cccc(Cl)c1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848131901 749895779 /nfs/dbraw/zinc/89/57/79/749895779.db2.gz LUOPCIJHIWILAY-JTQLQIEISA-N -1 3 282.727 1.758 20 30 CDEDHM O=C(CCc1cc(F)ccc1F)N[C@@H]1CCCN([O-])C1=O ZINC000816756174 749909683 /nfs/dbraw/zinc/90/96/83/749909683.db2.gz RVOGEIRFGUDCIP-GFCCVEGCSA-N -1 3 298.289 1.394 20 30 CDEDHM CC(C)(C)c1ncc(C(=O)N[C@@H]2CCCN([O-])C2=O)s1 ZINC000816753716 749949304 /nfs/dbraw/zinc/94/93/04/749949304.db2.gz NYCFGJIKGRSFGQ-MRVPVSSYSA-N -1 3 297.380 1.551 20 30 CDEDHM O=C1Nc2cc([O-])ccc2C1=NNCCC(F)(F)F ZINC000794551626 749984806 /nfs/dbraw/zinc/98/48/06/749984806.db2.gz DEFVKMHQVJFJOA-UHFFFAOYSA-N -1 3 273.214 1.590 20 30 CDEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)o1 ZINC000816753995 750051374 /nfs/dbraw/zinc/05/13/74/750051374.db2.gz UGWFKAYBIPDZTK-SNVBAGLBSA-N -1 3 252.270 1.006 20 30 CDEDHM C[C@@H](OCc1ccccc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848137397 750078772 /nfs/dbraw/zinc/07/87/72/750078772.db2.gz AIGJBWDZKKAPEL-YPMHNXCESA-N -1 3 292.335 1.088 20 30 CDEDHM O=C1Nc2cc([O-])ccc2C1=NNc1ccnc(F)c1 ZINC000781130408 750089505 /nfs/dbraw/zinc/08/95/05/750089505.db2.gz SROXNXZFXFWYPD-UHFFFAOYSA-N -1 3 272.239 1.695 20 30 CDEDHM C=C(Cl)CNC1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC000998673778 750113729 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575462812 /nfs/dbraw/zinc/46/28/12/575462812.db2.gz YNKBHMZNMUCSSP-UHFFFAOYSA-N -1 3 293.377 1.024 20 30 CDEDHM C=CCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000735408875 575465508 /nfs/dbraw/zinc/46/55/08/575465508.db2.gz UDNQMGFZSGQKEX-UHFFFAOYSA-N -1 3 273.296 1.780 20 30 CDEDHM C=CCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000735408875 575465510 /nfs/dbraw/zinc/46/55/10/575465510.db2.gz UDNQMGFZSGQKEX-UHFFFAOYSA-N -1 3 273.296 1.780 20 30 CDEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCOC1 ZINC000735450989 575469518 /nfs/dbraw/zinc/46/95/18/575469518.db2.gz LZXLGHUHKAYQCB-LLVKDONJSA-N -1 3 272.312 1.691 20 30 CDEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCOC1 ZINC000735450989 575469521 /nfs/dbraw/zinc/46/95/21/575469521.db2.gz LZXLGHUHKAYQCB-LLVKDONJSA-N -1 3 272.312 1.691 20 30 CDEDHM C=CCCOCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735416451 575469935 /nfs/dbraw/zinc/46/99/35/575469935.db2.gz KREHCNUMWCENLB-UHFFFAOYSA-N -1 3 298.306 1.270 20 30 CDEDHM C=CCCOCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735416451 575469939 /nfs/dbraw/zinc/46/99/39/575469939.db2.gz KREHCNUMWCENLB-UHFFFAOYSA-N -1 3 298.306 1.270 20 30 CDEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=CC1CCOCC1 ZINC000770868531 575512551 /nfs/dbraw/zinc/51/25/51/575512551.db2.gz LSPHNTNMNJQMKF-JDGPPOGSSA-N -1 3 287.319 1.294 20 30 CDEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=CC1CCOCC1 ZINC000770868531 575512553 /nfs/dbraw/zinc/51/25/53/575512553.db2.gz LSPHNTNMNJQMKF-JDGPPOGSSA-N -1 3 287.319 1.294 20 30 CDEDHM CC(C#N)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000736200842 575588516 /nfs/dbraw/zinc/58/85/16/575588516.db2.gz DOMASVFLEGWKSR-KOLCDFICSA-N -1 3 278.283 1.345 20 30 CDEDHM O=c1nc(C=N[O-])ccn1CCOc1cccc(Cl)c1 ZINC000736303352 575616869 /nfs/dbraw/zinc/61/68/69/575616869.db2.gz YXPCFQAFFSHVGX-UHFFFAOYSA-N -1 3 293.710 1.784 20 30 CDEDHM CC(C)N(CCC(=O)[O-])CC(=O)N[C@](C)(C#N)C(C)C ZINC000736465400 575670132 /nfs/dbraw/zinc/67/01/32/575670132.db2.gz COGGZDHGIDCLMO-CQSZACIVSA-N -1 3 283.372 1.226 20 30 CDEDHM C[C@H](O)C1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736673389 575716584 /nfs/dbraw/zinc/71/65/84/575716584.db2.gz BECJVQNEQKVCJX-XHDPSFHLSA-N -1 3 288.347 1.777 20 30 CDEDHM CCOc1ccc(/C=N\CC(C)(C)C(=O)NC)c([O-])c1 ZINC000772801346 575754852 /nfs/dbraw/zinc/75/48/52/575754852.db2.gz DYLOTQTUVRGMMC-MFOYZWKCSA-N -1 3 278.352 1.982 20 30 CDEDHM CC(=NNS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000764699981 575935122 /nfs/dbraw/zinc/93/51/22/575935122.db2.gz MJFBEETWFOESFP-UHFFFAOYSA-N -1 3 262.718 1.319 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1cccc(OC(F)F)c1 ZINC000764701012 575935509 /nfs/dbraw/zinc/93/55/09/575935509.db2.gz WFDAQEYVZPSANY-UHFFFAOYSA-N -1 3 278.280 1.561 20 30 CDEDHM CCCC(=N[N-]S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000764705273 575936226 /nfs/dbraw/zinc/93/62/26/575936226.db2.gz TXILVMZBHQFEQC-UHFFFAOYSA-N -1 3 285.325 1.648 20 30 CDEDHM N#Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737730451 576008806 /nfs/dbraw/zinc/00/88/06/576008806.db2.gz KZWZPWCSQOGRNH-UHFFFAOYSA-N -1 3 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20 30 CDEDHM C#CCN(CC1CC1)C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588350862 1173051346 /nfs/dbraw/zinc/05/13/46/1173051346.db2.gz TZPVVXZNPCISQB-UHFFFAOYSA-N -1 3 296.334 1.056 20 30 CDEDHM C#CCOCCC(=O)OCc1ccc(-c2nnn[n-]2)s1 ZINC001588362646 1173054491 /nfs/dbraw/zinc/05/44/91/1173054491.db2.gz NFYDUSQUWZTWIY-UHFFFAOYSA-N -1 3 292.320 1.011 20 30 CDEDHM C=CCCN(C)c1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001588603247 1173088975 /nfs/dbraw/zinc/08/89/75/1173088975.db2.gz JKEANGGGIOWBDH-UHFFFAOYSA-N -1 3 264.720 1.927 20 30 CDEDHM C=CCCN(C)c1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001588603247 1173088983 /nfs/dbraw/zinc/08/89/83/1173088983.db2.gz JKEANGGGIOWBDH-UHFFFAOYSA-N -1 3 264.720 1.927 20 30 CDEDHM CC(=NNC1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001588776210 1173105232 /nfs/dbraw/zinc/10/52/32/1173105232.db2.gz FCAQIFYBXPDLBY-UHFFFAOYSA-N -1 3 260.276 1.482 20 30 CDEDHM CC(=NNC1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001588776210 1173105238 /nfs/dbraw/zinc/10/52/38/1173105238.db2.gz FCAQIFYBXPDLBY-UHFFFAOYSA-N -1 3 260.276 1.482 20 30 CDEDHM C[C@H](C#N)OC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588934412 1173115007 /nfs/dbraw/zinc/11/50/07/1173115007.db2.gz LPQPVJDCNDSLSX-VHSXEESVSA-N -1 3 285.307 1.501 20 30 CDEDHM C[C@H](C#N)OC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588934412 1173115008 /nfs/dbraw/zinc/11/50/08/1173115008.db2.gz LPQPVJDCNDSLSX-VHSXEESVSA-N -1 3 285.307 1.501 20 30 CDEDHM C[C@@H](CC#N)NN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001589787649 1173180738 /nfs/dbraw/zinc/18/07/38/1173180738.db2.gz NSXKIFSIZKQBQV-VIFPVBQESA-N -1 3 281.323 1.409 20 30 CDEDHM C[C@@H](CC#N)NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001589787649 1173180743 /nfs/dbraw/zinc/18/07/43/1173180743.db2.gz NSXKIFSIZKQBQV-VIFPVBQESA-N -1 3 281.323 1.409 20 30 CDEDHM C[C@@H](CC#N)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589787415 1173182281 /nfs/dbraw/zinc/18/22/81/1173182281.db2.gz KNGNEYRMYZGPAD-LURJTMIESA-N -1 3 291.246 1.628 20 30 CDEDHM C[C@@H](CC#N)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589787415 1173182283 /nfs/dbraw/zinc/18/22/83/1173182283.db2.gz KNGNEYRMYZGPAD-LURJTMIESA-N -1 3 291.246 1.628 20 30 CDEDHM CC[C@@H](C#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590367218 1173376652 /nfs/dbraw/zinc/37/66/52/1173376652.db2.gz HVELCYIDSJGPDZ-ZETCQYMHSA-N -1 3 274.259 1.494 20 30 CDEDHM CC[C@@H](C#N)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590367218 1173376661 /nfs/dbraw/zinc/37/66/61/1173376661.db2.gz HVELCYIDSJGPDZ-ZETCQYMHSA-N -1 3 274.259 1.494 20 30 CDEDHM CC[C@@H](C#N)NC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001590855399 1173528765 /nfs/dbraw/zinc/52/87/65/1173528765.db2.gz VADVKUZLNWMVKI-LBPRGKRZSA-N -1 3 298.350 1.444 20 30 CDEDHM CC[C@@H](C#N)NC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001590855399 1173528771 /nfs/dbraw/zinc/52/87/71/1173528771.db2.gz VADVKUZLNWMVKI-LBPRGKRZSA-N -1 3 298.350 1.444 20 30 CDEDHM CC[C@H](C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001590866392 1173532995 /nfs/dbraw/zinc/53/29/95/1173532995.db2.gz VSRPCANIQJNATI-MRVPVSSYSA-N -1 3 290.714 1.552 20 30 CDEDHM CC[C@H](C#N)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001590866392 1173532999 /nfs/dbraw/zinc/53/29/99/1173532999.db2.gz VSRPCANIQJNATI-MRVPVSSYSA-N -1 3 290.714 1.552 20 30 CDEDHM CN(C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001590973458 1173555863 /nfs/dbraw/zinc/55/58/63/1173555863.db2.gz YPLZRKRSYYRCNS-LBPRGKRZSA-N -1 3 296.334 1.170 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCC[C@@H]1C#N ZINC001591137359 1173576948 /nfs/dbraw/zinc/57/69/48/1173576948.db2.gz XNJKTRJUCWVKEV-MFKMUULPSA-N -1 3 283.339 1.386 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCC[C@@H]1C#N ZINC001591137359 1173576951 /nfs/dbraw/zinc/57/69/51/1173576951.db2.gz XNJKTRJUCWVKEV-MFKMUULPSA-N -1 3 283.339 1.386 20 30 CDEDHM Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1-c1nnn[n-]1 ZINC001592122310 1173810157 /nfs/dbraw/zinc/81/01/57/1173810157.db2.gz IPWOJBILBGNVNF-GFCCVEGCSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1-c1nn[n-]n1 ZINC001592122310 1173810164 /nfs/dbraw/zinc/81/01/64/1173810164.db2.gz IPWOJBILBGNVNF-GFCCVEGCSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1conc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592312258 1173852574 /nfs/dbraw/zinc/85/25/74/1173852574.db2.gz WQHRNMRQLWMXIY-UHFFFAOYSA-N -1 3 281.279 1.647 20 30 CDEDHM Cc1conc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592312258 1173852581 /nfs/dbraw/zinc/85/25/81/1173852581.db2.gz WQHRNMRQLWMXIY-UHFFFAOYSA-N -1 3 281.279 1.647 20 30 CDEDHM Cc1nnc(N2CC[C@@](C)(C#N)C2)c(-c2nnn[n-]2)c1C ZINC001592448100 1173893397 /nfs/dbraw/zinc/89/33/97/1173893397.db2.gz GXIAWOIBJPZCBX-ZDUSSCGKSA-N -1 3 284.327 1.014 20 30 CDEDHM Cc1nnc(N2CC[C@@](C)(C#N)C2)c(-c2nn[n-]n2)c1C ZINC001592448100 1173893401 /nfs/dbraw/zinc/89/34/01/1173893401.db2.gz GXIAWOIBJPZCBX-ZDUSSCGKSA-N -1 3 284.327 1.014 20 30 CDEDHM N#C[C@@H]1CC[C@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592672758 1173963691 /nfs/dbraw/zinc/96/36/91/1173963691.db2.gz OGHKDORQMWWVRA-SKDRFNHKSA-N -1 3 283.291 1.716 20 30 CDEDHM N#C[C@@H]1CC[C@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592672758 1173963694 /nfs/dbraw/zinc/96/36/94/1173963694.db2.gz OGHKDORQMWWVRA-SKDRFNHKSA-N -1 3 283.291 1.716 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1CC[C@H](CO)CC1 ZINC001592699947 1173975017 /nfs/dbraw/zinc/97/50/17/1173975017.db2.gz UDDSHMJQTAPGDP-UMSPYCQHSA-N -1 3 298.350 1.701 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1CC[C@H](CO)CC1 ZINC001592699947 1173975022 /nfs/dbraw/zinc/97/50/22/1173975022.db2.gz UDDSHMJQTAPGDP-UMSPYCQHSA-N -1 3 298.350 1.701 20 30 CDEDHM N#Cc1cnn(Cc2cc(Cl)cc(-c3nnn[n-]3)c2)c1 ZINC001592703947 1173978415 /nfs/dbraw/zinc/97/84/15/1173978415.db2.gz KDGTYRZRRCJVJC-UHFFFAOYSA-N -1 3 285.698 1.637 20 30 CDEDHM N#Cc1cnn(Cc2cc(Cl)cc(-c3nn[n-]n3)c2)c1 ZINC001592703947 1173978420 /nfs/dbraw/zinc/97/84/20/1173978420.db2.gz KDGTYRZRRCJVJC-UHFFFAOYSA-N -1 3 285.698 1.637 20 30 CDEDHM O[C@@H]1CCCC[C@H]1NN=Cc1csc(-c2nnn[n-]2)c1 ZINC001593536544 1174110144 /nfs/dbraw/zinc/11/01/44/1174110144.db2.gz LBHUWVKNQFENJE-NXEZZACHSA-N -1 3 292.368 1.155 20 30 CDEDHM C#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)n2C)cc1 ZINC001602741345 1175380339 /nfs/dbraw/zinc/38/03/39/1175380339.db2.gz GSWPPYZINYCVEM-UHFFFAOYSA-N -1 3 292.302 1.439 20 30 CDEDHM C#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)n2C)cc1 ZINC001602741345 1175380343 /nfs/dbraw/zinc/38/03/43/1175380343.db2.gz GSWPPYZINYCVEM-UHFFFAOYSA-N -1 3 292.302 1.439 20 30 CDEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC001602746540 1175383040 /nfs/dbraw/zinc/38/30/40/1175383040.db2.gz ORVKNVLDMJTPLU-UHFFFAOYSA-N -1 3 265.280 1.708 20 30 CDEDHM C=C(C)[C@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001602753119 1175387810 /nfs/dbraw/zinc/38/78/10/1175387810.db2.gz MEOLWEVNKQWDFG-JTQLQIEISA-N -1 3 288.307 1.753 20 30 CDEDHM C=C(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001602758700 1175390531 /nfs/dbraw/zinc/39/05/31/1175390531.db2.gz NZQRYOBIRQPGTF-UHFFFAOYSA-N -1 3 271.324 1.823 20 30 CDEDHM C=C(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001602758700 1175390539 /nfs/dbraw/zinc/39/05/39/1175390539.db2.gz NZQRYOBIRQPGTF-UHFFFAOYSA-N -1 3 271.324 1.823 20 30 CDEDHM C=C[C@@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602798560 1175405620 /nfs/dbraw/zinc/40/56/20/1175405620.db2.gz PIQHYZLZUJQEOM-ZWNOBZJWSA-N -1 3 296.334 1.240 20 30 CDEDHM C=CCN(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602847017 1175431739 /nfs/dbraw/zinc/43/17/39/1175431739.db2.gz FNEUWBIULHXNEA-UHFFFAOYSA-N -1 3 274.284 1.393 20 30 CDEDHM C=CCN(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602847017 1175431741 /nfs/dbraw/zinc/43/17/41/1175431741.db2.gz FNEUWBIULHXNEA-UHFFFAOYSA-N -1 3 274.284 1.393 20 30 CDEDHM C=CCCC[C@H](N)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001602863629 1175437883 /nfs/dbraw/zinc/43/78/83/1175437883.db2.gz QUNNVDUNQWYMGT-ZDUSSCGKSA-N -1 3 288.347 1.958 20 30 CDEDHM CC(N=Nc1cccnn1)c1ccccc1-c1nnn[n-]1 ZINC001602907957 1175449211 /nfs/dbraw/zinc/44/92/11/1175449211.db2.gz DYAPPFOAJDNOPD-UHFFFAOYSA-N -1 3 280.295 1.493 20 30 CDEDHM CC(N=Nc1cccnn1)c1ccccc1-c1nn[n-]n1 ZINC001602907957 1175449213 /nfs/dbraw/zinc/44/92/13/1175449213.db2.gz DYAPPFOAJDNOPD-UHFFFAOYSA-N -1 3 280.295 1.493 20 30 CDEDHM C[C@@H](C#N)OCCOc1ccccc1-c1nnn[n-]1 ZINC001602990319 1175473305 /nfs/dbraw/zinc/47/33/05/1175473305.db2.gz YDZPZIYHEQJWPW-VIFPVBQESA-N -1 3 259.269 1.174 20 30 CDEDHM C[C@@H](C#N)OCCOc1ccccc1-c1nn[n-]n1 ZINC001602990319 1175473307 /nfs/dbraw/zinc/47/33/07/1175473307.db2.gz YDZPZIYHEQJWPW-VIFPVBQESA-N -1 3 259.269 1.174 20 30 CDEDHM CC(C)C[C@H](C)Cn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001603259830 1175528001 /nfs/dbraw/zinc/52/80/01/1175528001.db2.gz QSJQNMWHQLEKDX-QMMMGPOBSA-N -1 3 274.332 1.199 20 30 CDEDHM CC(C)C[C@H](C)Cn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001603259830 1175528008 /nfs/dbraw/zinc/52/80/08/1175528008.db2.gz QSJQNMWHQLEKDX-QMMMGPOBSA-N -1 3 274.332 1.199 20 30 CDEDHM N#CCNCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001754904269 1185760486 /nfs/dbraw/zinc/76/04/86/1185760486.db2.gz MEYSJYCWUVNIIT-LBPRGKRZSA-N -1 3 273.336 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N#Cc1cc([O-])cc(C(=O)OCc2nc(C3CC3)no2)c1 ZINC000811188809 756669900 /nfs/dbraw/zinc/66/99/00/756669900.db2.gz YLNWKCDLLNDRID-UHFFFAOYSA-N -1 3 285.259 1.881 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(C(F)F)cc1 ZINC000848138574 756717518 /nfs/dbraw/zinc/71/75/18/756717518.db2.gz NUXDHCOJQUKQRK-SNVBAGLBSA-N -1 3 284.262 1.734 20 30 CDEDHM C=C(Cl)CNC1CC(N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC000998645277 756743955 /nfs/dbraw/zinc/74/39/55/756743955.db2.gz ZIHMAMBFXWNPPV-UHFFFAOYSA-N -1 3 298.774 1.369 20 30 CDEDHM COc1ccc(C)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000877935117 756773089 /nfs/dbraw/zinc/77/30/89/756773089.db2.gz INKBMLFYWTUCQF-JTQLQIEISA-N -1 3 293.323 1.505 20 30 CDEDHM CC#CCN1CC[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@@H]21 ZINC001042023128 756778488 /nfs/dbraw/zinc/77/84/88/756778488.db2.gz OZIPDZWEKBKJSO-KGLIPLIRSA-N -1 3 299.374 1.347 20 30 CDEDHM C=CCCCOC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894266 756835257 /nfs/dbraw/zinc/83/52/57/756835257.db2.gz LUEMTZMECWUUBE-GFCCVEGCSA-N 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ZINC000819729095 606800517 /nfs/dbraw/zinc/80/05/17/606800517.db2.gz BVTBTUTVHIQLBD-SNVBAGLBSA-N -1 3 286.339 1.583 20 30 CDEDHM C=C[C@@H](C)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819729095 606800518 /nfs/dbraw/zinc/80/05/18/606800518.db2.gz BVTBTUTVHIQLBD-SNVBAGLBSA-N -1 3 286.339 1.583 20 30 CDEDHM C=C[C@H](C)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819730321 606814718 /nfs/dbraw/zinc/81/47/18/606814718.db2.gz VRAFHNVCSBFFPT-UWVGGRQHSA-N -1 3 287.323 1.325 20 30 CDEDHM CCN(CCC#N)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821207728 606906907 /nfs/dbraw/zinc/90/69/07/606906907.db2.gz TWOZWVNRGZOLRF-ZDUSSCGKSA-N -1 3 286.339 1.136 20 30 CDEDHM CCN(CCC#N)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821207728 606906908 /nfs/dbraw/zinc/90/69/08/606906908.db2.gz TWOZWVNRGZOLRF-ZDUSSCGKSA-N -1 3 286.339 1.136 20 30 CDEDHM C=CC1CCN(c2nc(-c3nnn[n-]3)ccc2C)CC1 ZINC001602808168 1175411249 /nfs/dbraw/zinc/41/12/49/1175411249.db2.gz ZWAKZDFFLSSUGV-UHFFFAOYSA-N -1 3 270.340 1.973 20 30 CDEDHM FC(F)(F)CON=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822718515 606995546 /nfs/dbraw/zinc/99/55/46/606995546.db2.gz KYXJJDOBXPKFHE-UHFFFAOYSA-N -1 3 271.202 1.780 20 30 CDEDHM FC(F)(F)CON=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822718515 606995548 /nfs/dbraw/zinc/99/55/48/606995548.db2.gz KYXJJDOBXPKFHE-UHFFFAOYSA-N -1 3 271.202 1.780 20 30 CDEDHM C=CC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001602816791 1175414817 /nfs/dbraw/zinc/41/48/17/1175414817.db2.gz VGMUHNYHFNVPFC-QMMMGPOBSA-N -1 3 263.276 1.355 20 30 CDEDHM C=CC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602816791 1175414823 /nfs/dbraw/zinc/41/48/23/1175414823.db2.gz VGMUHNYHFNVPFC-QMMMGPOBSA-N -1 3 263.276 1.355 20 30 CDEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NO[C@H]1CCCCO1 ZINC000826371764 607890565 /nfs/dbraw/zinc/89/05/65/607890565.db2.gz SVWGJTMHTNVPMQ-LBPRGKRZSA-N -1 3 291.286 1.883 20 30 CDEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NO[C@H]1CCCCO1 ZINC000826371764 607890566 /nfs/dbraw/zinc/89/05/66/607890566.db2.gz SVWGJTMHTNVPMQ-LBPRGKRZSA-N -1 3 291.286 1.883 20 30 CDEDHM CCN(CC#N)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825395064 608390279 /nfs/dbraw/zinc/39/02/79/608390279.db2.gz KDFVZBLUKBZMNY-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM CCN(CC#N)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825395064 608390281 /nfs/dbraw/zinc/39/02/81/608390281.db2.gz KDFVZBLUKBZMNY-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM C[C@H](C#N)CN(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824035322 608595743 /nfs/dbraw/zinc/59/57/43/608595743.db2.gz WYNYMHOGUSGWSM-MRVPVSSYSA-N -1 3 262.342 1.520 20 30 CDEDHM CC(=NNC[C@H](C)C#N)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823954088 609160859 /nfs/dbraw/zinc/16/08/59/609160859.db2.gz YTUYWLNPZXLLJH-MRVPVSSYSA-N -1 3 287.302 1.479 20 30 CDEDHM CC(=NNC[C@H](C)C#N)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823954088 609160861 /nfs/dbraw/zinc/16/08/61/609160861.db2.gz YTUYWLNPZXLLJH-MRVPVSSYSA-N -1 3 287.302 1.479 20 30 CDEDHM CN(C(=O)c1c[nH]c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825825670 609445874 /nfs/dbraw/zinc/44/58/74/609445874.db2.gz HRGOKIRUTIGVOF-UHFFFAOYSA-N -1 3 293.290 1.343 20 30 CDEDHM CN(C(=O)c1c[nH]c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825825670 609445876 /nfs/dbraw/zinc/44/58/76/609445876.db2.gz HRGOKIRUTIGVOF-UHFFFAOYSA-N -1 3 293.290 1.343 20 30 CDEDHM C=C(CC)COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823878071 609638581 /nfs/dbraw/zinc/63/85/81/609638581.db2.gz NMIKNXBBDUFCNX-LBPRGKRZSA-N -1 3 288.307 1.410 20 30 CDEDHM C=C(CC)COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823878071 609638582 /nfs/dbraw/zinc/63/85/82/609638582.db2.gz NMIKNXBBDUFCNX-LBPRGKRZSA-N -1 3 288.307 1.410 20 30 CDEDHM C=C(C)CN1CC([C@H](C)NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000969500821 613303981 /nfs/dbraw/zinc/30/39/81/613303981.db2.gz XLPCLWHSTDGVAL-VIFPVBQESA-N -1 3 278.356 1.050 20 30 CDEDHM CC#CCN1C[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC000974492698 613624379 /nfs/dbraw/zinc/62/43/79/613624379.db2.gz UCRNHJRNTYHNER-ZDUSSCGKSA-N -1 3 287.363 1.251 20 30 CDEDHM C=CCN1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000981027526 613699878 /nfs/dbraw/zinc/69/98/78/613699878.db2.gz ZPVYUUIPJNXSLZ-UHFFFAOYSA-N -1 3 261.325 1.121 20 30 CDEDHM C[C@]1(C(=O)[O-])CCN(Cc2cccc(C#N)c2F)C1 ZINC000222392652 617739140 /nfs/dbraw/zinc/73/91/40/617739140.db2.gz QNLYTYHGEMGXJD-AWEZNQCLSA-N -1 3 262.284 1.994 20 30 CDEDHM CC(=NN[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1[O-] ZINC000839383010 618347681 /nfs/dbraw/zinc/34/76/81/618347681.db2.gz RXYHJFWGHRKJTL-SNVBAGLBSA-N -1 3 286.328 1.032 20 30 CDEDHM C=CC(C)(C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000894287890 618490848 /nfs/dbraw/zinc/49/08/48/618490848.db2.gz YDSIRRDALIBCEU-UHFFFAOYSA-N -1 3 277.250 1.587 20 30 CDEDHM C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])N1CCC(C)CC1 ZINC000820238517 618517872 /nfs/dbraw/zinc/51/78/72/618517872.db2.gz RHZRJENFACXCTN-IUODEOHRSA-N -1 3 295.383 1.228 20 30 CDEDHM C#CCOc1ccccc1CN[C@@H]1CCCN([O-])C1=O ZINC000895167271 619398442 /nfs/dbraw/zinc/39/84/42/619398442.db2.gz XWQNNAAYEFWGMX-CYBMUJFWSA-N -1 3 274.320 1.168 20 30 CDEDHM O=C1C[C@H](C/N=C/c2cc(Br)ccc2[O-])CN1 ZINC000840710515 620344326 /nfs/dbraw/zinc/34/43/26/620344326.db2.gz KBVWALUTAOXRPZ-WPIAHNSYSA-N -1 3 297.152 1.710 20 30 CDEDHM C=C[C@@](C)(CC)C(=O)NCCCc1c[n-][nH]c1=O ZINC000898739558 621857856 /nfs/dbraw/zinc/85/78/56/621857856.db2.gz KZHHLIRGXLSEDM-MFKMUULPSA-N -1 3 251.330 1.217 20 30 CDEDHM CCCCCCCC[C@H](N)C(=O)N[C@@H](C)C(=O)[O-] ZINC000900454779 623080508 /nfs/dbraw/zinc/08/05/08/623080508.db2.gz UFEIEUGGXYILRM-QWRGUYRKSA-N -1 3 258.362 1.654 20 30 CDEDHM CCCCN([O-])C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000904207923 626212988 /nfs/dbraw/zinc/21/29/88/626212988.db2.gz IFMKDROSYBINJC-PHIMTYICSA-N -1 3 282.340 1.180 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1CCCN(C(=O)CC)C1 ZINC000904209312 626213838 /nfs/dbraw/zinc/21/38/38/626213838.db2.gz YHBFHHSRIACEIV-NSHDSACASA-N -1 3 256.346 1.653 20 30 CDEDHM O=C1CN(N=Cc2csc(-c3ccsc3)n2)C(=O)[N-]1 ZINC000920369699 632764622 /nfs/dbraw/zinc/76/46/22/632764622.db2.gz OEXGQOGPVXNQOH-UHFFFAOYSA-N -1 3 292.345 1.757 20 30 CDEDHM C[C@H](CC(C)(C)CC(=O)[O-])[NH2+][C@H]1CCCN([O-])C1=O ZINC001604123889 1163097270 /nfs/dbraw/zinc/09/72/70/1163097270.db2.gz NSXWDYDHYZVOLC-ZJUUUORDSA-N -1 3 272.345 1.236 20 30 CDEDHM C[C@@H](CCC#N)CN1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001604131041 1163099398 /nfs/dbraw/zinc/09/93/98/1163099398.db2.gz YFFDZOPYFMZQRB-VIFPVBQESA-N -1 3 262.313 1.406 20 30 CDEDHM N#Cc1cccc(NCc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001606381702 1163885649 /nfs/dbraw/zinc/88/56/49/1163885649.db2.gz IUFCHOMEIOCBKS-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1cccc(NCc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001606381702 1163885656 /nfs/dbraw/zinc/88/56/56/1163885656.db2.gz IUFCHOMEIOCBKS-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM c1nncn1N=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001607124063 1164108131 /nfs/dbraw/zinc/10/81/31/1164108131.db2.gz UTBARJQYLBRDIF-UHFFFAOYSA-N -1 3 294.322 1.437 20 30 CDEDHM c1nncn1N=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001607124063 1164108133 /nfs/dbraw/zinc/10/81/33/1164108133.db2.gz UTBARJQYLBRDIF-UHFFFAOYSA-N -1 3 294.322 1.437 20 30 CDEDHM CN(C)c1cc(NC(=O)c2ccc([O-])c(C#N)c2)n[nH]1 ZINC001193499605 1164391734 /nfs/dbraw/zinc/39/17/34/1164391734.db2.gz SSKGIAHTUQAHEX-UHFFFAOYSA-N -1 3 271.280 1.305 20 30 CDEDHM C=CCC[C@H](O)CNc1cc(S(=O)(=O)CC)ccc1[O-] ZINC001252586537 1164514267 /nfs/dbraw/zinc/51/42/67/1164514267.db2.gz JMTXUBKWDRPVEB-NSHDSACASA-N -1 3 299.392 1.925 20 30 CDEDHM C#C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001609018631 1164725660 /nfs/dbraw/zinc/72/56/60/1164725660.db2.gz BRNZZUATVINVES-ZDUSSCGKSA-N -1 3 298.350 1.053 20 30 CDEDHM C#CC[C@@H](NCc1cccc(OC)c1OC)C(=O)[O-] ZINC001609089117 1164764534 /nfs/dbraw/zinc/76/45/34/1164764534.db2.gz FCMCQVRVZARWJQ-LLVKDONJSA-N -1 3 263.293 1.270 20 30 CDEDHM C=C[C@@H](N[C@@H](Cc1nc(C)no1)c1ccccc1)C(=O)[O-] ZINC001609267295 1164873768 /nfs/dbraw/zinc/87/37/68/1164873768.db2.gz PZBYKJPXSBSZRU-OLZOCXBDSA-N -1 3 287.319 1.891 20 30 CDEDHM Cc1c(C(=O)N[C@H](C#N)C(C)C)cccc1-c1nnn[n-]1 ZINC001609380887 1164916242 /nfs/dbraw/zinc/91/62/42/1164916242.db2.gz YAYIGMCSOCWDCF-GFCCVEGCSA-N -1 3 284.323 1.453 20 30 CDEDHM Cc1c(C(=O)N[C@H](C#N)C(C)C)cccc1-c1nn[n-]n1 ZINC001609380887 1164916247 /nfs/dbraw/zinc/91/62/47/1164916247.db2.gz YAYIGMCSOCWDCF-GFCCVEGCSA-N -1 3 284.323 1.453 20 30 CDEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)NCC#N ZINC001609380974 1164917347 /nfs/dbraw/zinc/91/73/47/1164917347.db2.gz BBLHPMOFTCEFRH-UHFFFAOYSA-N -1 3 298.331 1.643 20 30 CDEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)NCC#N ZINC001609380974 1164917350 /nfs/dbraw/zinc/91/73/50/1164917350.db2.gz BBLHPMOFTCEFRH-UHFFFAOYSA-N -1 3 298.331 1.643 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(NCC(C)(C)CC#N)n1 ZINC001609385842 1164920364 /nfs/dbraw/zinc/92/03/64/1164920364.db2.gz CBLDYVOVJNDQFT-UHFFFAOYSA-N -1 3 271.328 1.922 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(NCC(C)(C)CC#N)n1 ZINC001609385842 1164920370 /nfs/dbraw/zinc/92/03/70/1164920370.db2.gz CBLDYVOVJNDQFT-UHFFFAOYSA-N -1 3 271.328 1.922 20 30 CDEDHM Cn1cc(NC(=O)c2cc([O-])cc3[nH]ccc32)c(C#N)n1 ZINC001155956934 1167275968 /nfs/dbraw/zinc/27/59/68/1167275968.db2.gz PATVKMUKNHUGTP-UHFFFAOYSA-N -1 3 281.275 1.731 20 30 CDEDHM N#C[C@@H](c1ccccc1)N1CCN(C[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001574242878 1170928636 /nfs/dbraw/zinc/92/86/36/1170928636.db2.gz ZTDSSMHOKZGTAP-XHSDSOJGSA-N -1 3 299.374 1.590 20 30 CDEDHM N#Cc1ccnc(NC(=O)c2csc(-c3nnn[n-]3)c2)c1 ZINC001581877019 1172626289 /nfs/dbraw/zinc/62/62/89/1172626289.db2.gz PALCFGFYGPSJMW-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM N#Cc1cccc(OCc2cc(-c3nnn[n-]3)ccn2)c1 ZINC001581875812 1172627198 /nfs/dbraw/zinc/62/71/98/1172627198.db2.gz RDFZGBYJWLNRNK-UHFFFAOYSA-N -1 3 278.275 1.712 20 30 CDEDHM N#Cc1cccc(OCc2cc(-c3nn[n-]n3)ccn2)c1 ZINC001581875812 1172627215 /nfs/dbraw/zinc/62/72/15/1172627215.db2.gz RDFZGBYJWLNRNK-UHFFFAOYSA-N -1 3 278.275 1.712 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588326316 1173026770 /nfs/dbraw/zinc/02/67/70/1173026770.db2.gz JIJMZRAGLHPVJP-SECBINFHSA-N -1 3 294.318 1.490 20 30 CDEDHM C#CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)n1C)C1CC1 ZINC001588335024 1173038085 /nfs/dbraw/zinc/03/80/85/1173038085.db2.gz URPSMNTWCPJNKG-LBPRGKRZSA-N -1 3 285.307 1.164 20 30 CDEDHM C#CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)n1C)C1CC1 ZINC001588335024 1173038092 /nfs/dbraw/zinc/03/80/92/1173038092.db2.gz URPSMNTWCPJNKG-LBPRGKRZSA-N -1 3 285.307 1.164 20 30 CDEDHM C#CC[C@H](OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)C(C)C ZINC001588334789 1173040340 /nfs/dbraw/zinc/04/03/40/1173040340.db2.gz LLASMYABZGLQAS-ZDUSSCGKSA-N -1 3 299.334 1.775 20 30 CDEDHM C#CC[C@H](OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)C(C)C ZINC001588334789 1173040346 /nfs/dbraw/zinc/04/03/46/1173040346.db2.gz LLASMYABZGLQAS-ZDUSSCGKSA-N -1 3 299.334 1.775 20 30 CDEDHM C#CCN(CC#CC)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588349978 1173051548 /nfs/dbraw/zinc/05/15/48/1173051548.db2.gz WTIKGOHUEAQKQB-UHFFFAOYSA-N -1 3 285.332 1.027 20 30 CDEDHM C(=NOC[C@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC001588384457 1173057890 /nfs/dbraw/zinc/05/78/90/1173057890.db2.gz 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CC#CC[C@@H](CO)[N-]S(=O)(=O)Cc1ccccc1F ZINC000645883399 392459622 /nfs/dbraw/zinc/45/96/22/392459622.db2.gz YODCYLCMOUKXND-LBPRGKRZSA-N -1 3 285.340 1.019 20 30 CDEDHM Cc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000063155901 392815650 /nfs/dbraw/zinc/81/56/50/392815650.db2.gz MACDJDIXCTZFRV-LBPRGKRZSA-N -1 3 280.349 1.787 20 30 CDEDHM Cc1ncsc1C[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000104745398 147202679 /nfs/dbraw/zinc/20/26/79/147202679.db2.gz PGSIWDBCONETEO-UHFFFAOYSA-N -1 3 294.361 1.197 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000650195992 397783095 /nfs/dbraw/zinc/78/30/95/397783095.db2.gz HMQLZVVVKYRVDR-ZJUUUORDSA-N -1 3 285.369 1.155 20 30 CDEDHM N#Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000353824295 156105076 /nfs/dbraw/zinc/10/50/76/156105076.db2.gz JATRVNNNMZQDME-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000353824295 156105081 /nfs/dbraw/zinc/10/50/81/156105081.db2.gz JATRVNNNMZQDME-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM C#CCCCCC(=O)Nc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001588344204 1173042028 /nfs/dbraw/zinc/04/20/28/1173042028.db2.gz HORZAWQOZRULQD-UHFFFAOYSA-N -1 3 273.300 1.030 20 30 CDEDHM C=CCC1([N-]S(=O)(=O)c2c[nH]cn2)CCCC1 ZINC000657189280 414024467 /nfs/dbraw/zinc/02/44/67/414024467.db2.gz VQASAIFLINJVFU-UHFFFAOYSA-N -1 3 255.343 1.577 20 30 CDEDHM CCC(C#N)(CC)[N-]S(=O)(=O)c1c(C)noc1C ZINC000040365603 174248426 /nfs/dbraw/zinc/24/84/26/174248426.db2.gz DYWFXBLLQQYXRJ-UHFFFAOYSA-N -1 3 271.342 1.652 20 30 CDEDHM C=C(CC)COC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588444031 1173064303 /nfs/dbraw/zinc/06/43/03/1173064303.db2.gz HBLOBVYBQBIGIO-UHFFFAOYSA-N -1 3 288.307 1.998 20 30 CDEDHM C=C(CC)COC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588444031 1173064307 /nfs/dbraw/zinc/06/43/07/1173064307.db2.gz HBLOBVYBQBIGIO-UHFFFAOYSA-N -1 3 288.307 1.998 20 30 CDEDHM N#CCS(=O)(=O)[N-]c1ccccc1Br ZINC000044509502 175187162 /nfs/dbraw/zinc/18/71/62/175187162.db2.gz WUXHJXPQQNJSOG-UHFFFAOYSA-N -1 3 275.127 1.714 20 30 CDEDHM C=CC(C)(C)CCNc1ccc(-c2nn[n-]n2)c(N)n1 ZINC001588489293 1173069223 /nfs/dbraw/zinc/06/92/23/1173069223.db2.gz ZZSCQNCHBOHCMP-UHFFFAOYSA-N -1 3 273.344 1.858 20 30 CDEDHM C#CCC[N-]S(=O)(=O)c1cc(F)ccc1OC ZINC000070972525 176017693 /nfs/dbraw/zinc/01/76/93/176017693.db2.gz TZKNEYHLFBFLDR-UHFFFAOYSA-N -1 3 257.286 1.136 20 30 CDEDHM C=CC[C@@H](CO)Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001588545750 1173080532 /nfs/dbraw/zinc/08/05/32/1173080532.db2.gz MZCWMFZSJBQNDK-VIFPVBQESA-N -1 3 263.276 1.355 20 30 CDEDHM C=CC[C@@H](CO)Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001588545750 1173080540 /nfs/dbraw/zinc/08/05/40/1173080540.db2.gz MZCWMFZSJBQNDK-VIFPVBQESA-N -1 3 263.276 1.355 20 30 CDEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(N)=O)nc2)nc(C)n1 ZINC000344680807 225123310 /nfs/dbraw/zinc/12/33/10/225123310.db2.gz CRENFYANURHLBA-NSHDSACASA-N -1 3 295.302 1.077 20 30 CDEDHM CC#CCCOC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588745788 1173102525 /nfs/dbraw/zinc/10/25/25/1173102525.db2.gz DLJWAPQKRWVEBZ-UHFFFAOYSA-N -1 3 270.292 1.745 20 30 CDEDHM CC#CCCOC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588745788 1173102528 /nfs/dbraw/zinc/10/25/28/1173102528.db2.gz DLJWAPQKRWVEBZ-UHFFFAOYSA-N -1 3 270.292 1.745 20 30 CDEDHM CC(=NN[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001588776170 1173105335 /nfs/dbraw/zinc/10/53/35/1173105335.db2.gz BCFPBEAGDXDGGT-QMMMGPOBSA-N -1 3 278.341 1.031 20 30 CDEDHM C[C@H](C#N)CN(C)Cc1ccccc1-c1nn[n-]n1 ZINC001588931004 1173114948 /nfs/dbraw/zinc/11/49/48/1173114948.db2.gz PBTMJPSJYLLBJP-SNVBAGLBSA-N -1 3 256.313 1.458 20 30 CDEDHM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]c1nncn1C1CC1 ZINC000329114322 227306532 /nfs/dbraw/zinc/30/65/32/227306532.db2.gz LZBQVKQJYSVSAZ-GXSJLCMTSA-N -1 3 280.328 1.785 20 30 CDEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CCCSC1 ZINC000330124004 228045072 /nfs/dbraw/zinc/04/50/72/228045072.db2.gz AZVZUAJELVFUPQ-SSDOTTSWSA-N -1 3 269.326 1.927 20 30 CDEDHM C#CCCCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000126577281 260354115 /nfs/dbraw/zinc/35/41/15/260354115.db2.gz SFWOCZQKJKCWNR-UHFFFAOYSA-N -1 3 296.348 1.985 20 30 CDEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000273811904 263019556 /nfs/dbraw/zinc/01/95/56/263019556.db2.gz AZEJFCWURUSOIC-SSDOTTSWSA-N -1 3 276.749 1.044 20 30 CDEDHM CSc1nnc(NC(=O)c2cccc(CC#N)c2)[n-]1 ZINC000340265170 263103197 /nfs/dbraw/zinc/10/31/97/263103197.db2.gz CKBRWMCFCUHTQY-UHFFFAOYSA-N -1 3 273.321 1.845 20 30 CDEDHM CSc1n[n-]c(NC(=O)c2cccc(CC#N)c2)n1 ZINC000340265170 263103198 /nfs/dbraw/zinc/10/31/98/263103198.db2.gz CKBRWMCFCUHTQY-UHFFFAOYSA-N -1 3 273.321 1.845 20 30 CDEDHM CSc1nc(NC(=O)c2cccc(CC#N)c2)n[n-]1 ZINC000340265170 263103199 /nfs/dbraw/zinc/10/31/99/263103199.db2.gz CKBRWMCFCUHTQY-UHFFFAOYSA-N -1 3 273.321 1.845 20 30 CDEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)CN2CCCC2=O)c1[O-] ZINC000298780871 263225558 /nfs/dbraw/zinc/22/55/58/263225558.db2.gz OAMRGAIFEWNQFQ-NPVNMOQSSA-N -1 3 291.351 1.018 20 30 CDEDHM COc1ccc(C(=O)N[C@@H]2CC[S@](=O)C2)c([O-])c1 ZINC000331235007 264174464 /nfs/dbraw/zinc/17/44/64/264174464.db2.gz LBNPOWKNYMJYDL-CVJBHZAOSA-N -1 3 269.322 1.226 20 30 CDEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[O-] ZINC000331240309 264176297 /nfs/dbraw/zinc/17/62/97/264176297.db2.gz PLWWNOMPRKZPAD-SNVBAGLBSA-N -1 3 297.332 1.087 20 30 CDEDHM C#CCCCC[N-]S(=O)(=O)c1ccccc1F ZINC000126692270 264216349 /nfs/dbraw/zinc/21/63/49/264216349.db2.gz BTYKUJFIFPMOEI-UHFFFAOYSA-N -1 3 255.314 1.908 20 30 CDEDHM C=CCOCC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000356321801 266095275 /nfs/dbraw/zinc/09/52/75/266095275.db2.gz NOTQMVSLCQJJGU-UHFFFAOYSA-N -1 3 279.292 1.710 20 30 CDEDHM CCN(CCC#N)Cc1cc(-c2nnn[n-]2)cnc1Cl ZINC001590692166 1173497017 /nfs/dbraw/zinc/49/70/17/1173497017.db2.gz ZJFXDGUWFPRYNF-UHFFFAOYSA-N -1 3 291.746 1.651 20 30 CDEDHM CCN(CCC#N)Cc1cc(-c2nn[n-]n2)cnc1Cl ZINC001590692166 1173497019 /nfs/dbraw/zinc/49/70/19/1173497019.db2.gz ZJFXDGUWFPRYNF-UHFFFAOYSA-N -1 3 291.746 1.651 20 30 CDEDHM Cc1cc([N-]C(=O)[C@@H](C)N(C)C[C@@H](C)C#N)on1 ZINC000049000920 301356349 /nfs/dbraw/zinc/35/63/49/301356349.db2.gz MPNBUCJQNUYENM-WCBMZHEXSA-N -1 3 250.302 1.402 20 30 CDEDHM Cc1cc(Cn2c(C)nc(C#N)c2-c2nnn[n-]2)cs1 ZINC001591978100 1173765354 /nfs/dbraw/zinc/76/53/54/1173765354.db2.gz UDUCRIMPWYLNIP-UHFFFAOYSA-N -1 3 285.336 1.662 20 30 CDEDHM Cc1cc(Cn2c(C)nc(C#N)c2-c2nn[n-]n2)cs1 ZINC001591978100 1173765358 /nfs/dbraw/zinc/76/53/58/1173765358.db2.gz UDUCRIMPWYLNIP-UHFFFAOYSA-N -1 3 285.336 1.662 20 30 CDEDHM Cc1nc(C)c(CCC(=O)N(CC#N)C2CC2)c(=O)[n-]1 ZINC000344423759 328557771 /nfs/dbraw/zinc/55/77/71/328557771.db2.gz PIVFYZFCZPTZPZ-UHFFFAOYSA-N -1 3 274.324 1.246 20 30 CDEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000228624556 329346055 /nfs/dbraw/zinc/34/60/55/329346055.db2.gz AHIMWOQHQAWMMB-QMMMGPOBSA-N -1 3 287.312 1.465 20 30 CDEDHM C=CCS(=O)(=O)CCNC(=O)c1ccc([O-])c(C)c1 ZINC000273042427 330089757 /nfs/dbraw/zinc/08/97/57/330089757.db2.gz GMDUDAQPSKUSMT-UHFFFAOYSA-N -1 3 283.349 1.031 20 30 CDEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCOCC1CC1 ZINC000424209077 330328140 /nfs/dbraw/zinc/32/81/40/330328140.db2.gz KXWGRPADGBQJHW-NSHDSACASA-N -1 3 274.386 1.271 20 30 CDEDHM C=CCC1([N-]S(=O)(=O)c2cn(C)cn2)CCCCC1 ZINC000451932994 331047587 /nfs/dbraw/zinc/04/75/87/331047587.db2.gz BPDDGQKHJWPPDG-UHFFFAOYSA-N -1 3 283.397 1.977 20 30 CDEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccoc1)C(=O)OCC ZINC000451992580 331049690 /nfs/dbraw/zinc/04/96/90/331049690.db2.gz MALHIVZWHVGHDF-LLVKDONJSA-N -1 3 287.337 1.456 20 30 CDEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000452038301 331051429 /nfs/dbraw/zinc/05/14/29/331051429.db2.gz DIJUAVOSDLENIB-UHFFFAOYSA-N -1 3 287.337 1.619 20 30 CDEDHM C=CCC[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)OCC ZINC000456610269 331196749 /nfs/dbraw/zinc/19/67/49/331196749.db2.gz PMSGMGMZEPSPQJ-GFCCVEGCSA-N -1 3 293.319 1.726 20 30 CDEDHM O=C(NCC#Cc1ccccc1)c1csc(=O)[n-]1 ZINC000471638401 331513906 /nfs/dbraw/zinc/51/39/06/331513906.db2.gz SHNPHNWCMBTXDK-UHFFFAOYSA-N -1 3 258.302 1.630 20 30 CDEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000491727119 332310406 /nfs/dbraw/zinc/31/04/06/332310406.db2.gz KZUZXKBXSFEUPZ-SECBINFHSA-N -1 3 258.730 1.425 20 30 CDEDHM N#C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCO1 ZINC000236608014 333374124 /nfs/dbraw/zinc/37/41/24/333374124.db2.gz UXSHUDGGOBGROY-SECBINFHSA-N -1 3 266.684 1.410 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1C(=O)NCc1cnc(C)[n-]c1=O ZINC000566105146 334623265 /nfs/dbraw/zinc/62/32/65/334623265.db2.gz CERCLNDNOSANTL-NEPJUHHUSA-N -1 3 277.324 1.088 20 30 CDEDHM CC(C)N(CCC#N)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000581260123 336033843 /nfs/dbraw/zinc/03/38/43/336033843.db2.gz ZEXIAWKVPBLCGS-UHFFFAOYSA-N -1 3 274.324 1.824 20 30 CDEDHM CCOC(=O)[C@@H](Nc1cccc(/C=N/[O-])c1)[C@@H](C)O ZINC001168039632 1160293319 /nfs/dbraw/zinc/29/33/19/1160293319.db2.gz UJSWNKHRDISURF-NJPHMQBDSA-N -1 3 266.297 1.219 20 30 CDEDHM O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)N[O-] ZINC000671997582 482479431 /nfs/dbraw/zinc/47/94/31/482479431.db2.gz GWQKTNDCVUHWTI-VURMDHGXSA-N -1 3 298.345 1.680 20 30 CDEDHM O=C(CN1CCCNC1=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000075816731 483376329 /nfs/dbraw/zinc/37/63/29/483376329.db2.gz YPESTZLBPVZZEU-UHFFFAOYSA-N -1 3 290.283 1.068 20 30 CDEDHM O=C(CN1CCCNC1=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000075816731 483376332 /nfs/dbraw/zinc/37/63/32/483376332.db2.gz YPESTZLBPVZZEU-UHFFFAOYSA-N -1 3 290.283 1.068 20 30 CDEDHM O=C(CN1CCCNC1=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000075816731 483376336 /nfs/dbraw/zinc/37/63/36/483376336.db2.gz YPESTZLBPVZZEU-UHFFFAOYSA-N -1 3 290.283 1.068 20 30 CDEDHM C=CC[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000347044974 526677444 /nfs/dbraw/zinc/67/74/44/526677444.db2.gz AVURDTZFASQXIR-UHFFFAOYSA-N -1 3 286.744 1.155 20 30 CDEDHM C=CCOCC(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000344461342 526728430 /nfs/dbraw/zinc/72/84/30/526728430.db2.gz TWBPKTRXPYYTNM-UHFFFAOYSA-N -1 3 289.291 1.491 20 30 CDEDHM C=CCOCC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000344461342 526728434 /nfs/dbraw/zinc/72/84/34/526728434.db2.gz TWBPKTRXPYYTNM-UHFFFAOYSA-N -1 3 289.291 1.491 20 30 CDEDHM N#CCCCCNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737686309 574434162 /nfs/dbraw/zinc/43/41/62/574434162.db2.gz AKVSCQDNBYXSSL-UHFFFAOYSA-N -1 3 298.350 1.609 20 30 CDEDHM N#CCCCCNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737686309 574434163 /nfs/dbraw/zinc/43/41/63/574434163.db2.gz AKVSCQDNBYXSSL-UHFFFAOYSA-N -1 3 298.350 1.609 20 30 CDEDHM N#CCCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737688560 574437243 /nfs/dbraw/zinc/43/72/43/574437243.db2.gz VHMIGWSTJRKVEU-UHFFFAOYSA-N -1 3 288.271 1.276 20 30 CDEDHM N#CCCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737688560 574437244 /nfs/dbraw/zinc/43/72/44/574437244.db2.gz VHMIGWSTJRKVEU-UHFFFAOYSA-N -1 3 288.271 1.276 20 30 CDEDHM N#Cc1nccnc1Oc1ccc(-c2nnn[n-]2)cc1 ZINC000737731624 574462128 /nfs/dbraw/zinc/46/21/28/574462128.db2.gz UZQKHUKWLFWION-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM N#Cc1nccnc1Oc1ccc(-c2nn[n-]n2)cc1 ZINC000737731624 574462129 /nfs/dbraw/zinc/46/21/29/574462129.db2.gz UZQKHUKWLFWION-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM CC[C@H](C(=O)[O-])N1CCN(c2cccc(F)c2C#N)CC1 ZINC000737774613 574550461 /nfs/dbraw/zinc/55/04/61/574550461.db2.gz XDTYMUKOLTVSJA-CYBMUJFWSA-N -1 3 291.326 1.683 20 30 CDEDHM CCCOC(=O)CC/N=C\c1c([O-])c(C)ncc1CO ZINC000730148218 574854040 /nfs/dbraw/zinc/85/40/40/574854040.db2.gz ZYYHLFHXZOQBQA-NVNXTCNLSA-N -1 3 280.324 1.350 20 30 CDEDHM O=C1CN(N=Cc2ccnc3ccccc23)C(=O)[N-]1 ZINC000731314101 575043922 /nfs/dbraw/zinc/04/39/22/575043922.db2.gz AADVMEPOXUKANR-UHFFFAOYSA-N -1 3 254.249 1.121 20 30 CDEDHM Cc1cc(NN=C2c3ccc([O-])cc3NC2=O)ncn1 ZINC000731934747 575072720 /nfs/dbraw/zinc/07/27/20/575072720.db2.gz GWPQIZQRLJRBAA-UHFFFAOYSA-N -1 3 269.264 1.259 20 30 CDEDHM Cc1[n-]ncc1S(=O)(=O)OCC(F)(F)C(F)F ZINC000732215485 575084087 /nfs/dbraw/zinc/08/40/87/575084087.db2.gz QFWPSHRYFKNPFA-UHFFFAOYSA-N -1 3 276.211 1.324 20 30 CDEDHM C=c1[nH]c(=O)[n-]c(=O)c1=C(C)NNc1nccnc1Cl ZINC000733079124 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C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001602788987 1175403726 /nfs/dbraw/zinc/40/37/26/1175403726.db2.gz SOGUYGIDKBFHLS-SSDOTTSWSA-N -1 3 274.729 1.855 20 30 CDEDHM C=C[C@H](COC)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602802776 1175405424 /nfs/dbraw/zinc/40/54/24/1175405424.db2.gz BQLLQWHKMIJMOM-SECBINFHSA-N -1 3 260.301 1.183 20 30 CDEDHM C=C[C@H](COC)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602802776 1175405431 /nfs/dbraw/zinc/40/54/31/1175405431.db2.gz BQLLQWHKMIJMOM-SECBINFHSA-N -1 3 260.301 1.183 20 30 CDEDHM C=C[C@@H](C)ONC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001602799688 1175406006 /nfs/dbraw/zinc/40/60/06/1175406006.db2.gz FNJGFTJOXURYGA-ZCFIWIBFSA-N -1 3 265.298 1.164 20 30 CDEDHM C=C[C@@H](C)ONC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001602799688 1175406013 /nfs/dbraw/zinc/40/60/13/1175406013.db2.gz FNJGFTJOXURYGA-ZCFIWIBFSA-N -1 3 265.298 1.164 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602824257 1175418263 /nfs/dbraw/zinc/41/82/63/1175418263.db2.gz PIEMENMVGSTTEC-CYBMUJFWSA-N -1 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/nfs/dbraw/zinc/49/01/85/1173490185.db2.gz KFPCZZVZXPIXKN-MFKMUULPSA-N -1 3 286.339 1.134 20 30 CDEDHM COCCCCN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591410905 1173646265 /nfs/dbraw/zinc/64/62/65/1173646265.db2.gz KRUMPAXUQBCNIU-UHFFFAOYSA-N -1 3 286.339 1.601 20 30 CDEDHM COCCCCN(C)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591410905 1173646269 /nfs/dbraw/zinc/64/62/69/1173646269.db2.gz KRUMPAXUQBCNIU-UHFFFAOYSA-N -1 3 286.339 1.601 20 30 CDEDHM COCCCNN=Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001591416338 1173648863 /nfs/dbraw/zinc/64/88/63/1173648863.db2.gz KAZSNBGMEHXRIK-UHFFFAOYSA-N -1 3 288.355 1.444 20 30 CDEDHM COCCCNN=Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001591416338 1173648866 /nfs/dbraw/zinc/64/88/66/1173648866.db2.gz KAZSNBGMEHXRIK-UHFFFAOYSA-N -1 3 288.355 1.444 20 30 CDEDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C(C)(C)C#N)cn21 ZINC000563518604 328071523 /nfs/dbraw/zinc/07/15/23/328071523.db2.gz OATSDCSJQOHVNM-SECBINFHSA-N -1 3 282.369 1.361 20 30 CDEDHM N#CCN1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000182480965 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C=C(C)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000119155268 330370512 /nfs/dbraw/zinc/37/05/12/330370512.db2.gz AAJARPNKTDTYDX-UHFFFAOYSA-N -1 3 287.312 1.467 20 30 CDEDHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@H](C)C#N)c1 ZINC000057308734 330372416 /nfs/dbraw/zinc/37/24/16/330372416.db2.gz PZHNJFHGOHMMDE-SECBINFHSA-N -1 3 275.308 1.582 20 30 CDEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451029908 331012536 /nfs/dbraw/zinc/01/25/36/331012536.db2.gz SIMMDPWLGAKQAA-LLVKDONJSA-N -1 3 288.394 1.654 20 30 CDEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451373995 331026300 /nfs/dbraw/zinc/02/63/00/331026300.db2.gz IYKZVXBEJNKKCF-SNVBAGLBSA-N -1 3 275.395 1.519 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000452931480 331081152 /nfs/dbraw/zinc/08/11/52/331081152.db2.gz RDHCSWSTMLQVNO-OCCSQVGLSA-N -1 3 290.319 1.424 20 30 CDEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000491096864 332149334 /nfs/dbraw/zinc/14/93/34/332149334.db2.gz 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CC#CCN(C)C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588745825 1173101996 /nfs/dbraw/zinc/10/19/96/1173101996.db2.gz FMBJYDXYCBTBDL-UHFFFAOYSA-N -1 3 295.346 1.380 20 30 CDEDHM CC(C)(C)C#CC(=O)OCc1ccncc1-c1nnn[n-]1 ZINC001589071620 1173123169 /nfs/dbraw/zinc/12/31/69/1173123169.db2.gz KUIIFNNPIQVLQN-UHFFFAOYSA-N -1 3 285.307 1.354 20 30 CDEDHM CC(C)(C)C#CC(=O)OCc1ccncc1-c1nn[n-]n1 ZINC001589071620 1173123171 /nfs/dbraw/zinc/12/31/71/1173123171.db2.gz KUIIFNNPIQVLQN-UHFFFAOYSA-N -1 3 285.307 1.354 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590372125 1173379775 /nfs/dbraw/zinc/37/97/75/1173379775.db2.gz PBAKTAWTCDJHFV-CDNLZTBQSA-N -1 3 296.334 1.688 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590372125 1173379781 /nfs/dbraw/zinc/37/97/81/1173379781.db2.gz PBAKTAWTCDJHFV-CDNLZTBQSA-N -1 3 296.334 1.688 20 30 CDEDHM CC[C@@H](CC#N)NCc1cc(-c2nn[n-]n2)ccc1OC ZINC001590420276 1173401874 /nfs/dbraw/zinc/40/18/74/1173401874.db2.gz VMWZYMQFFGNEKF-LBPRGKRZSA-N 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N#C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592681051 1173968636 /nfs/dbraw/zinc/96/86/36/1173968636.db2.gz FDJCXSOHKBWYJU-JOYOIKCWSA-N -1 3 282.307 1.289 20 30 CDEDHM N#C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592681051 1173968640 /nfs/dbraw/zinc/96/86/40/1173968640.db2.gz FDJCXSOHKBWYJU-JOYOIKCWSA-N -1 3 282.307 1.289 20 30 CDEDHM N#Cc1cc(NC(=O)CCC(F)F)ccc1-c1nnn[n-]1 ZINC001592689300 1173971536 /nfs/dbraw/zinc/97/15/36/1173971536.db2.gz SGRJMFNJHTUBRR-UHFFFAOYSA-N -1 3 292.249 1.722 20 30 CDEDHM N#Cc1cc(NC(=O)CCC(F)F)ccc1-c1nn[n-]n1 ZINC001592689300 1173971542 /nfs/dbraw/zinc/97/15/42/1173971542.db2.gz SGRJMFNJHTUBRR-UHFFFAOYSA-N -1 3 292.249 1.722 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC[C@H](O)C1CC1 ZINC001592699479 1173975943 /nfs/dbraw/zinc/97/59/43/1173975943.db2.gz BCIWDFWXFLGUPZ-LBPRGKRZSA-N -1 3 284.323 1.311 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC[C@H](O)C1CC1 ZINC001592699479 1173975959 /nfs/dbraw/zinc/97/59/59/1173975959.db2.gz 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ZINC000823893909 608350575 /nfs/dbraw/zinc/35/05/75/608350575.db2.gz BADIRFCDVPTDCC-UHFFFAOYSA-N -1 3 288.307 1.885 20 30 CDEDHM C[C@H](CC#N)N(C)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824384569 608679797 /nfs/dbraw/zinc/67/97/97/608679797.db2.gz DWZPIMCKEMXLNA-SNVBAGLBSA-N -1 3 296.338 1.248 20 30 CDEDHM C[C@H](CC#N)N(C)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824384569 608679799 /nfs/dbraw/zinc/67/97/99/608679799.db2.gz DWZPIMCKEMXLNA-SNVBAGLBSA-N -1 3 296.338 1.248 20 30 CDEDHM N#Cc1nccn1CCOc1ccccc1-c1nnn[n-]1 ZINC000826388088 608892853 /nfs/dbraw/zinc/89/28/53/608892853.db2.gz IEBUSOVFWHMSDT-UHFFFAOYSA-N -1 3 281.279 1.014 20 30 CDEDHM N#Cc1nccn1CCOc1ccccc1-c1nn[n-]n1 ZINC000826388088 608892856 /nfs/dbraw/zinc/89/28/56/608892856.db2.gz IEBUSOVFWHMSDT-UHFFFAOYSA-N -1 3 281.279 1.014 20 30 CDEDHM CC(=NNC[C@@H](C)C#N)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953750 609276958 /nfs/dbraw/zinc/27/69/58/609276958.db2.gz OJANABPVLIHNMY-QMMMGPOBSA-N -1 3 287.302 1.479 20 30 CDEDHM CC(=NNC[C@@H](C)C#N)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953750 609276960 /nfs/dbraw/zinc/27/69/60/609276960.db2.gz OJANABPVLIHNMY-QMMMGPOBSA-N -1 3 287.302 1.479 20 30 CDEDHM CC(C)CN(CCC#N)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824255516 609447809 /nfs/dbraw/zinc/44/78/09/609447809.db2.gz MMWWFIDOCPVYED-UHFFFAOYSA-N -1 3 287.327 1.207 20 30 CDEDHM CC(C)CN(CCC#N)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824255516 609447810 /nfs/dbraw/zinc/44/78/10/609447810.db2.gz MMWWFIDOCPVYED-UHFFFAOYSA-N -1 3 287.327 1.207 20 30 CDEDHM C=CCCCCOC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000811009823 618433195 /nfs/dbraw/zinc/43/31/95/618433195.db2.gz BVXQKFKRJATWCT-LLVKDONJSA-N -1 3 291.413 1.850 20 30 CDEDHM O=C1[C@@H](NCc2ccc(Cl)cc2F)CCCN1[O-] ZINC000895160335 619377712 /nfs/dbraw/zinc/37/77/12/619377712.db2.gz MGLQJSBIBLQZDA-NSHDSACASA-N -1 3 272.707 1.949 20 30 CDEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2C[C@H](C)O[C@H]2C)c1[O-] ZINC000840711774 620375932 /nfs/dbraw/zinc/37/59/32/620375932.db2.gz 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/nfs/dbraw/zinc/21/13/85/626211385.db2.gz NRUZKBSMNUAIEN-GFCCVEGCSA-N -1 3 282.315 1.691 20 30 CDEDHM CCCCN([O-])C(=O)CNC(=O)c1ccc(F)cc1 ZINC000904207822 626212786 /nfs/dbraw/zinc/21/27/86/626212786.db2.gz DBQDMQZQGFXRPQ-UHFFFAOYSA-N -1 3 268.288 1.573 20 30 CDEDHM CCCCN([O-])C(=O)[C@H](C(C)C)N1CCCS1(=O)=O ZINC000904212336 626226399 /nfs/dbraw/zinc/22/63/99/626226399.db2.gz OQQKODPAVQLJLR-NSHDSACASA-N -1 3 292.401 1.064 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC000904212689 626226447 /nfs/dbraw/zinc/22/64/47/626226447.db2.gz RMIGETRBEFEAIC-SNVBAGLBSA-N -1 3 258.362 1.945 20 30 CDEDHM C=CCC[C@H](NC(=O)[C@@H](C)N1CCCCCC1)C(=O)[O-] ZINC000909711412 628636180 /nfs/dbraw/zinc/63/61/80/628636180.db2.gz AYKMBMZOWYBVES-OLZOCXBDSA-N -1 3 282.384 1.787 20 30 CDEDHM C=C[C@](C)(CC)C(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000911218950 629204380 /nfs/dbraw/zinc/20/43/80/629204380.db2.gz BFPBLMZRNLGWEK-CQSZACIVSA-N -1 3 268.357 1.208 20 30 CDEDHM C#CCCC[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000914200001 631240382 /nfs/dbraw/zinc/24/03/82/631240382.db2.gz XMLOXFVIHLQPOA-UHFFFAOYSA-N -1 3 289.303 1.665 20 30 CDEDHM Cc1ncc(CO)c(C=NNc2ccc(C#N)cc2)c1[O-] ZINC000915963144 631880478 /nfs/dbraw/zinc/88/04/78/631880478.db2.gz ZYGFNFHNUNRYIR-UHFFFAOYSA-N -1 3 282.303 1.906 20 30 CDEDHM CCOc1ccc(O)c(C=N[N-]c2[nH+]cnc3[n-]cnc32)c1 ZINC000917555845 632242376 /nfs/dbraw/zinc/24/23/76/632242376.db2.gz PXAXEKZZJZRQIH-UHFFFAOYSA-N -1 3 298.306 1.903 20 30 CDEDHM CCOC(=O)[C@H](C#N)[N-]c1c(F)cccc1OC ZINC001170374425 1162351869 /nfs/dbraw/zinc/35/18/69/1162351869.db2.gz SIYYIPWHBCSEOP-VIFPVBQESA-N -1 3 252.245 1.701 20 30 CDEDHM N#Cc1sc(N2CCc3c(=O)[n-]cnc3C2)nc1Cl ZINC000804610456 1162490966 /nfs/dbraw/zinc/49/09/66/1162490966.db2.gz XRPQBQOKSOLQGE-UHFFFAOYSA-N -1 3 293.739 1.726 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001602888380 1175443791 /nfs/dbraw/zinc/44/37/91/1175443791.db2.gz RDGFTOHACAWERR-KOLCDFICSA-N -1 3 275.287 1.761 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602888380 1175443796 /nfs/dbraw/zinc/44/37/96/1175443796.db2.gz RDGFTOHACAWERR-KOLCDFICSA-N -1 3 275.287 1.761 20 30 CDEDHM CC[C@@H](C#N)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604484149 1163200910 /nfs/dbraw/zinc/20/09/10/1163200910.db2.gz IXCVOOMHMASICV-MFKMUULPSA-N -1 3 298.350 1.464 20 30 CDEDHM CC[C@@H](C#N)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604484149 1163200920 /nfs/dbraw/zinc/20/09/20/1163200920.db2.gz IXCVOOMHMASICV-MFKMUULPSA-N -1 3 298.350 1.464 20 30 CDEDHM CCc1nnc(NCC2(C#N)CC2)c(-c2nnn[n-]2)c1CC ZINC001604581723 1163238092 /nfs/dbraw/zinc/23/80/92/1163238092.db2.gz LBKKXAGXYJLBHF-UHFFFAOYSA-N -1 3 298.354 1.497 20 30 CDEDHM CCc1nnc(NCC2(C#N)CC2)c(-c2nn[n-]n2)c1CC ZINC001604581723 1163238097 /nfs/dbraw/zinc/23/80/97/1163238097.db2.gz LBKKXAGXYJLBHF-UHFFFAOYSA-N -1 3 298.354 1.497 20 30 CDEDHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cccc(C#N)c1 ZINC001604795412 1163328532 /nfs/dbraw/zinc/32/85/32/1163328532.db2.gz 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1163881848 /nfs/dbraw/zinc/88/18/48/1163881848.db2.gz BTNFJAPLDLFTNC-LLVKDONJSA-N -1 3 284.323 1.719 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCCSCC1 ZINC001606380253 1163882052 /nfs/dbraw/zinc/88/20/52/1163882052.db2.gz SURHTBHHVVAQCA-UHFFFAOYSA-N -1 3 286.364 1.682 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCCSCC1 ZINC001606380253 1163882059 /nfs/dbraw/zinc/88/20/59/1163882059.db2.gz SURHTBHHVVAQCA-UHFFFAOYSA-N -1 3 286.364 1.682 20 30 CDEDHM N#Cc1cccn(Cc2ccc(-c3nnn[n-]3)c(F)c2)c1=O ZINC001606389455 1163884337 /nfs/dbraw/zinc/88/43/37/1163884337.db2.gz RUILPXPGCNIGEI-UHFFFAOYSA-N -1 3 296.265 1.087 20 30 CDEDHM N#Cc1cccn(Cc2ccc(-c3nn[n-]n3)c(F)c2)c1=O ZINC001606389455 1163884342 /nfs/dbraw/zinc/88/43/42/1163884342.db2.gz RUILPXPGCNIGEI-UHFFFAOYSA-N -1 3 296.265 1.087 20 30 CDEDHM N#Cc1cnnc(Sc2cccc(F)c2-c2nnn[n-]2)c1 ZINC001606388988 1163885235 /nfs/dbraw/zinc/88/52/35/1163885235.db2.gz IWXLBVGJOIGNID-UHFFFAOYSA-N -1 3 299.294 1.819 20 30 CDEDHM c1ncc(-c2nnn[n-]2)cc1CON=C1CCCOCC1 ZINC001607139051 1164120282 /nfs/dbraw/zinc/12/02/82/1164120282.db2.gz UNTYRTQXIYKWCG-UHFFFAOYSA-N -1 3 288.311 1.335 20 30 CDEDHM c1ncc(-c2nn[n-]n2)cc1CON=C1CCCOCC1 ZINC001607139051 1164120290 /nfs/dbraw/zinc/12/02/90/1164120290.db2.gz UNTYRTQXIYKWCG-UHFFFAOYSA-N -1 3 288.311 1.335 20 30 CDEDHM COc1cc(CNCc2ccc(C(=O)[O-])[nH]2)ccc1C#N ZINC001607164287 1164124993 /nfs/dbraw/zinc/12/49/93/1164124993.db2.gz UBHDDODQWOFTNE-UHFFFAOYSA-N -1 3 285.303 1.883 20 30 CDEDHM N#Cc1cnccc1CNC1(CC(=O)[O-])CCCC1 ZINC001608222191 1164457873 /nfs/dbraw/zinc/45/78/73/1164457873.db2.gz AJIGAPPYIRBCJT-UHFFFAOYSA-N -1 3 259.309 1.830 20 30 CDEDHM C#C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001609019591 1164725808 /nfs/dbraw/zinc/72/58/08/1164725808.db2.gz YTDUCECNIVDTTN-CQSZACIVSA-N -1 3 297.362 1.573 20 30 CDEDHM C#C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001609019591 1164725811 /nfs/dbraw/zinc/72/58/11/1164725811.db2.gz YTDUCECNIVDTTN-CQSZACIVSA-N -1 3 297.362 1.573 20 30 CDEDHM C#C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001609019061 1164725844 /nfs/dbraw/zinc/72/58/44/1164725844.db2.gz MERWYAFIQZHBIY-CYBMUJFWSA-N -1 3 283.335 1.183 20 30 CDEDHM C#C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001609019061 1164725849 /nfs/dbraw/zinc/72/58/49/1164725849.db2.gz MERWYAFIQZHBIY-CYBMUJFWSA-N -1 3 283.335 1.183 20 30 CDEDHM C#CCN(c1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001609021155 1164727908 /nfs/dbraw/zinc/72/79/08/1164727908.db2.gz HEFFVQMCQJOBNA-UHFFFAOYSA-N -1 3 254.297 1.172 20 30 CDEDHM C#CCN(c1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001609021155 1164727916 /nfs/dbraw/zinc/72/79/16/1164727916.db2.gz HEFFVQMCQJOBNA-UHFFFAOYSA-N -1 3 254.297 1.172 20 30 CDEDHM C=CCN1CC[C@@H](Nc2cc(C)cc(-c3nnn[n-]3)c2)C1=O ZINC001609057570 1164749621 /nfs/dbraw/zinc/74/96/21/1164749621.db2.gz ZRZZJBIBIMRTLU-CYBMUJFWSA-N -1 3 298.350 1.374 20 30 CDEDHM C=CCN1CC[C@@H](Nc2cc(C)cc(-c3nn[n-]n3)c2)C1=O ZINC001609057570 1164749627 /nfs/dbraw/zinc/74/96/27/1164749627.db2.gz ZRZZJBIBIMRTLU-CYBMUJFWSA-N -1 3 298.350 1.374 20 30 CDEDHM C[C@@H](NN=Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001609125780 1164781637 /nfs/dbraw/zinc/78/16/37/1164781637.db2.gz PQVQQMQKHHKFMD-RXMQYKEDSA-N -1 3 290.274 1.803 20 30 CDEDHM CC1(C)CCC[C@@H](n2cnc(C#N)c2-c2nnn[n-]2)C1=O ZINC001609145180 1164793770 /nfs/dbraw/zinc/79/37/70/1164793770.db2.gz DDRGZFCGSSCQLU-SECBINFHSA-N -1 3 285.311 1.255 20 30 CDEDHM CCC(N=Nc1cccnn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609180902 1164820052 /nfs/dbraw/zinc/82/00/52/1164820052.db2.gz QCSPEOPTFXVPPW-UHFFFAOYSA-N -1 3 294.322 1.883 20 30 CDEDHM CCC(N=Nc1cccnn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609180902 1164820061 /nfs/dbraw/zinc/82/00/61/1164820061.db2.gz QCSPEOPTFXVPPW-UHFFFAOYSA-N -1 3 294.322 1.883 20 30 CDEDHM CCN(Cc1cccc(-c2nn[n-]n2)c1)C[C@H](C)C#N ZINC001609225500 1164854491 /nfs/dbraw/zinc/85/44/91/1164854491.db2.gz KJJDVULSSRJMQP-LLVKDONJSA-N -1 3 270.340 1.848 20 30 CDEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NOC[C@H]1CCOC1 ZINC001609487984 1164973152 /nfs/dbraw/zinc/97/31/52/1164973152.db2.gz SRWYKFXUTWXUAK-VIFPVBQESA-N -1 3 291.286 1.393 20 30 CDEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NOC[C@H]1CCOC1 ZINC001609487984 1164973158 /nfs/dbraw/zinc/97/31/58/1164973158.db2.gz SRWYKFXUTWXUAK-VIFPVBQESA-N -1 3 291.286 1.393 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCC[C@H]1CCOC1 ZINC001609499819 1164977555 /nfs/dbraw/zinc/97/75/55/1164977555.db2.gz LCAKRZAPQHLNJV-NSHDSACASA-N -1 3 298.350 1.967 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCC[C@H]1CCOC1 ZINC001609499819 1164977558 /nfs/dbraw/zinc/97/75/58/1164977558.db2.gz LCAKRZAPQHLNJV-NSHDSACASA-N -1 3 298.350 1.967 20 30 CDEDHM COc1ccc(CCC(=O)[N-]OCCO[C@@H](C)C#N)cc1 ZINC000871797973 1165347408 /nfs/dbraw/zinc/34/74/08/1165347408.db2.gz LNESGLDVDQSARD-LBPRGKRZSA-N -1 3 292.335 1.604 20 30 CDEDHM O=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CCCN([O-])C1=O ZINC000877979170 1166125290 /nfs/dbraw/zinc/12/52/90/1166125290.db2.gz WLZGAECALDDDAK-CYBMUJFWSA-N -1 3 289.335 1.677 20 30 CDEDHM CN(C(=O)c1coc(C#N)c1)c1ccccc1-c1nnn[n-]1 ZINC001578945660 1172057641 /nfs/dbraw/zinc/05/76/41/1172057641.db2.gz GKNRBHJCUGIXLG-UHFFFAOYSA-N -1 3 294.274 1.608 20 30 CDEDHM CN(C(=O)c1coc(C#N)c1)c1ccccc1-c1nn[n-]n1 ZINC001578945660 1172057646 /nfs/dbraw/zinc/05/76/46/1172057646.db2.gz GKNRBHJCUGIXLG-UHFFFAOYSA-N -1 3 294.274 1.608 20 30 CDEDHM Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)c(C#N)cn1 ZINC001581033974 1172582261 /nfs/dbraw/zinc/58/22/61/1172582261.db2.gz IGYXSKMLDCQFGV-UHFFFAOYSA-N -1 3 297.347 1.537 20 30 CDEDHM C#C[C@@H](CC)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588326035 1173024989 /nfs/dbraw/zinc/02/49/89/1173024989.db2.gz CGIOHAHHESCMMH-JQWIXIFHSA-N -1 3 299.334 1.162 20 30 CDEDHM C#C[C@@H](CC)NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588326805 1173027902 /nfs/dbraw/zinc/02/79/02/1173027902.db2.gz VKXSIXRWNZVNOO-ZDUSSCGKSA-N -1 3 295.346 1.426 20 30 CDEDHM C#C[C@@H](CC)NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588326805 1173027910 /nfs/dbraw/zinc/02/79/10/1173027910.db2.gz VKXSIXRWNZVNOO-ZDUSSCGKSA-N -1 3 295.346 1.426 20 30 CDEDHM C#CCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1C(C)=O ZINC001588341142 1173043870 /nfs/dbraw/zinc/04/38/70/1173043870.db2.gz ZKEDDDPNRGBZBZ-UHFFFAOYSA-N -1 3 297.318 1.811 20 30 CDEDHM C#CCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1C(C)=O ZINC001588341142 1173043878 /nfs/dbraw/zinc/04/38/78/1173043878.db2.gz ZKEDDDPNRGBZBZ-UHFFFAOYSA-N -1 3 297.318 1.811 20 30 CDEDHM C#CCCOC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588347165 1173046977 /nfs/dbraw/zinc/04/69/77/1173046977.db2.gz NAZITPMFTWUQAH-NSHDSACASA-N -1 3 284.319 1.612 20 30 CDEDHM C#CCCOC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588347165 1173046982 /nfs/dbraw/zinc/04/69/82/1173046982.db2.gz NAZITPMFTWUQAH-NSHDSACASA-N -1 3 284.319 1.612 20 30 CDEDHM C#CCN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001588349685 1173051807 /nfs/dbraw/zinc/05/18/07/1173051807.db2.gz VROFEDGUBGGORS-UHFFFAOYSA-N -1 3 270.296 1.272 20 30 CDEDHM C#CCN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588349685 1173051811 /nfs/dbraw/zinc/05/18/11/1173051811.db2.gz VROFEDGUBGGORS-UHFFFAOYSA-N -1 3 270.296 1.272 20 30 CDEDHM C(=NN[C@H]1CCSC1)c1ccc(-c2nnn[n-]2)s1 ZINC001588381933 1173057757 /nfs/dbraw/zinc/05/77/57/1173057757.db2.gz XAGLRXULXZQZIK-ZETCQYMHSA-N -1 3 280.382 1.357 20 30 CDEDHM C=C(Cl)CNC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588449180 1173062928 /nfs/dbraw/zinc/06/29/28/1173062928.db2.gz HXCNQNPCOSVRKR-UHFFFAOYSA-N -1 3 277.715 1.657 20 30 CDEDHM C=C(Cl)CNC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588449180 1173062934 /nfs/dbraw/zinc/06/29/34/1173062934.db2.gz HXCNQNPCOSVRKR-UHFFFAOYSA-N -1 3 277.715 1.657 20 30 CDEDHM C=C1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588462541 1173067640 /nfs/dbraw/zinc/06/76/40/1173067640.db2.gz KANYQRXTLUQVNH-SREVYHEPSA-N -1 3 267.292 1.278 20 30 CDEDHM C=C1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588462541 1173067645 /nfs/dbraw/zinc/06/76/45/1173067645.db2.gz KANYQRXTLUQVNH-SREVYHEPSA-N -1 3 267.292 1.278 20 30 CDEDHM C=CC[C@@H](CC)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588540967 1173077810 /nfs/dbraw/zinc/07/78/10/1173077810.db2.gz HJOPAOTUQWEJTF-CYBMUJFWSA-N -1 3 285.351 1.880 20 30 CDEDHM C=CC[C@@H](CC)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588540967 1173077817 /nfs/dbraw/zinc/07/78/17/1173077817.db2.gz HJOPAOTUQWEJTF-CYBMUJFWSA-N -1 3 285.351 1.880 20 30 CDEDHM CC(=NO[C@H]1CCCCO1)c1cc(-c2nnn[n-]2)ccn1 ZINC001588782420 1173105575 /nfs/dbraw/zinc/10/55/75/1173105575.db2.gz ULYJHOUJEBGBKU-LBPRGKRZSA-N -1 3 288.311 1.529 20 30 CDEDHM CC(=NO[C@H]1CCCCO1)c1cc(-c2nn[n-]n2)ccn1 ZINC001588782420 1173105579 /nfs/dbraw/zinc/10/55/79/1173105579.db2.gz ULYJHOUJEBGBKU-LBPRGKRZSA-N -1 3 288.311 1.529 20 30 CDEDHM C[C@H](C#N)CN(C(=O)c1cc(-c2nnn[n-]2)ccn1)C1CC1 ZINC001588930987 1173114749 /nfs/dbraw/zinc/11/47/49/1173114749.db2.gz OXJKTLQUUYTVLB-SECBINFHSA-N -1 3 297.322 1.026 20 30 CDEDHM C[C@H](C#N)CN(C(=O)c1cc(-c2nn[n-]n2)ccn1)C1CC1 ZINC001588930987 1173114754 /nfs/dbraw/zinc/11/47/54/1173114754.db2.gz OXJKTLQUUYTVLB-SECBINFHSA-N -1 3 297.322 1.026 20 30 CDEDHM CC(C)(C#N)CC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001589033933 1173120578 /nfs/dbraw/zinc/12/05/78/1173120578.db2.gz MJEBUQBUZRTKPU-UHFFFAOYSA-N -1 3 296.334 1.649 20 30 CDEDHM CC(C)(C#N)CC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001589033933 1173120581 /nfs/dbraw/zinc/12/05/81/1173120581.db2.gz MJEBUQBUZRTKPU-UHFFFAOYSA-N -1 3 296.334 1.649 20 30 CDEDHM CC(C)C#CC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001589384280 1173142512 /nfs/dbraw/zinc/14/25/12/1173142512.db2.gz FFGUJWIMUHFDSK-UHFFFAOYSA-N -1 3 297.362 1.877 20 30 CDEDHM CC(C)C#CC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001589384280 1173142518 /nfs/dbraw/zinc/14/25/18/1173142518.db2.gz FFGUJWIMUHFDSK-UHFFFAOYSA-N -1 3 297.362 1.877 20 30 CDEDHM C[C@@]1(O)CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590149952 1173273125 /nfs/dbraw/zinc/27/31/25/1173273125.db2.gz DKDXIPZZNBZHJK-CQSZACIVSA-N -1 3 284.323 1.090 20 30 CDEDHM C[C@@]1(O)CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590149952 1173273127 /nfs/dbraw/zinc/27/31/27/1173273127.db2.gz DKDXIPZZNBZHJK-CQSZACIVSA-N -1 3 284.323 1.090 20 30 CDEDHM CC[C@@H](C#N)C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590367369 1173376451 /nfs/dbraw/zinc/37/64/51/1173376451.db2.gz OKUPRUHFDKCGTI-QWRGUYRKSA-N -1 3 298.350 1.936 20 30 CDEDHM CC[C@@H](C#N)C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590367369 1173376457 /nfs/dbraw/zinc/37/64/57/1173376457.db2.gz OKUPRUHFDKCGTI-QWRGUYRKSA-N -1 3 298.350 1.936 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)OCc1ccc(-c2nnn[n-]2)s1 ZINC001590371468 1173381492 /nfs/dbraw/zinc/38/14/92/1173381492.db2.gz AKNXOMFRDLDASC-LBPRGKRZSA-N -1 3 291.336 1.911 20 30 CDEDHM CN(CC(C)(C)C#N)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001591042433 1173566548 /nfs/dbraw/zinc/56/65/48/1173566548.db2.gz HAANNARKLYDWFZ-UHFFFAOYSA-N -1 3 291.746 1.901 20 30 CDEDHM CN(CC(C)(C)C#N)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001591042433 1173566551 /nfs/dbraw/zinc/56/65/51/1173566551.db2.gz HAANNARKLYDWFZ-UHFFFAOYSA-N -1 3 291.746 1.901 20 30 CDEDHM CO[C@@H](Cn1cnc(C#N)c1-c1nnn[n-]1)C1CCCC1 ZINC001591333435 1173614847 /nfs/dbraw/zinc/61/48/47/1173614847.db2.gz FXKMKROHTOSKGN-NSHDSACASA-N -1 3 287.327 1.140 20 30 CDEDHM COc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001591616228 1173674679 /nfs/dbraw/zinc/67/46/79/1173674679.db2.gz GCQBGFIYBSETPL-NXEZZACHSA-N -1 3 284.323 1.979 20 30 CDEDHM COc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001591616228 1173674682 /nfs/dbraw/zinc/67/46/82/1173674682.db2.gz GCQBGFIYBSETPL-NXEZZACHSA-N -1 3 284.323 1.979 20 30 CDEDHM Cc1c(C(=O)O[C@@H](C)C#N)cccc1-c1nnn[n-]1 ZINC001591812871 1173709281 /nfs/dbraw/zinc/70/92/81/1173709281.db2.gz KTEZURYHSZLWBZ-ZETCQYMHSA-N -1 3 257.253 1.244 20 30 CDEDHM Cc1c(C(=O)O[C@@H](C)C#N)cccc1-c1nn[n-]n1 ZINC001591812871 1173709284 /nfs/dbraw/zinc/70/92/84/1173709284.db2.gz KTEZURYHSZLWBZ-ZETCQYMHSA-N -1 3 257.253 1.244 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC(C)(C#N)C1 ZINC001592103149 1173803574 /nfs/dbraw/zinc/80/35/74/1173803574.db2.gz DJAOUHBRKINJNZ-UHFFFAOYSA-N -1 3 297.322 1.553 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC(C)(C#N)C1 ZINC001592103149 1173803580 /nfs/dbraw/zinc/80/35/80/1173803580.db2.gz DJAOUHBRKINJNZ-UHFFFAOYSA-N -1 3 297.322 1.553 20 30 CDEDHM N#CC1(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001592669751 1173960182 /nfs/dbraw/zinc/96/01/82/1173960182.db2.gz MJCHHIDKXWAKDK-UHFFFAOYSA-N -1 3 297.318 1.646 20 30 CDEDHM N#CC1(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001592669751 1173960186 /nfs/dbraw/zinc/96/01/86/1173960186.db2.gz MJCHHIDKXWAKDK-UHFFFAOYSA-N -1 3 297.318 1.646 20 30 CDEDHM N#CC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001592673157 1173963562 /nfs/dbraw/zinc/96/35/62/1173963562.db2.gz VHCHTXHLDLHGBZ-UHFFFAOYSA-N -1 3 255.285 1.002 20 30 CDEDHM N#CC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001592673157 1173963567 /nfs/dbraw/zinc/96/35/67/1173963567.db2.gz VHCHTXHLDLHGBZ-UHFFFAOYSA-N -1 3 255.285 1.002 20 30 CDEDHM N#Cc1cc(CNc2ncccc2-c2nnn[n-]2)ccn1 ZINC001592688451 1173971512 /nfs/dbraw/zinc/97/15/12/1173971512.db2.gz ZZLYEYIFNLPYIB-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1cc(CNc2ncccc2-c2nn[n-]n2)ccn1 ZINC001592688451 1173971520 /nfs/dbraw/zinc/97/15/20/1173971520.db2.gz ZZLYEYIFNLPYIB-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1ccc(NC(=O)c2nccs2)cc1-c1nnn[n-]1 ZINC001592696326 1173974737 /nfs/dbraw/zinc/97/47/37/1173974737.db2.gz YHOLJUCRQSRMGT-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM N#Cc1ccc(NC(=O)c2nccs2)cc1-c1nn[n-]n1 ZINC001592696326 1173974742 /nfs/dbraw/zinc/97/47/42/1173974742.db2.gz YHOLJUCRQSRMGT-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM O=C(C=Cc1cnccn1)c1cccc(-c2nnn[n-]2)c1 ZINC001592802604 1173990957 /nfs/dbraw/zinc/99/09/57/1173990957.db2.gz DYWWFBXWDDNEKB-PLNGDYQASA-N -1 3 278.275 1.553 20 30 CDEDHM O=C(C=Cc1cnccn1)c1cccc(-c2nn[n-]n2)c1 ZINC001592802604 1173990964 /nfs/dbraw/zinc/99/09/64/1173990964.db2.gz DYWWFBXWDDNEKB-PLNGDYQASA-N -1 3 278.275 1.553 20 30 CDEDHM O=C1C(=Cc2ncc[nH]2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593379355 1174073582 /nfs/dbraw/zinc/07/35/82/1174073582.db2.gz 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C=CC[C@H](C)NC(=O)N=c1[n-]n(C)cc1Br ZINC000640327273 361399260 /nfs/dbraw/zinc/39/92/60/361399260.db2.gz SELBYHGDYFEUJF-ZETCQYMHSA-N -1 3 287.161 1.691 20 30 CDEDHM C=CCCO[C@H](C)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000636285408 363928505 /nfs/dbraw/zinc/92/85/05/363928505.db2.gz UCRHSZLEPDOWRX-SECBINFHSA-N -1 3 277.324 1.314 20 30 CDEDHM C#CCN(C(=O)c1ccc2n[n-]nc2c1)C1CCCC1 ZINC000164040517 371294061 /nfs/dbraw/zinc/29/40/61/371294061.db2.gz UBRVAOYHKSHCEF-UHFFFAOYSA-N -1 3 268.320 1.976 20 30 CDEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cccs1 ZINC000341205272 373478602 /nfs/dbraw/zinc/47/86/02/373478602.db2.gz VFVRPRMMIBWZFU-VIFPVBQESA-N -1 3 261.368 1.211 20 30 CDEDHM N#Cc1ccc(CS(=O)(=O)c2nc(C3CC3)n[n-]2)cc1 ZINC000299244056 373893895 /nfs/dbraw/zinc/89/38/95/373893895.db2.gz LVKPXRQKQNVZFC-UHFFFAOYSA-N -1 3 288.332 1.528 20 30 CDEDHM N#Cc1ccc(CS(=O)(=O)c2nnc(C3CC3)[n-]2)cc1 ZINC000299244056 373893904 /nfs/dbraw/zinc/89/39/04/373893904.db2.gz LVKPXRQKQNVZFC-UHFFFAOYSA-N -1 3 288.332 1.528 20 30 CDEDHM N#C[C@@H]1CSCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000342407411 374187259 /nfs/dbraw/zinc/18/72/59/374187259.db2.gz KIFPARINZYJYCO-SNVBAGLBSA-N -1 3 299.355 1.609 20 30 CDEDHM CN(Cc1cccc(C#N)c1)C(=O)c1csc(=O)[n-]1 ZINC000335838138 375150426 /nfs/dbraw/zinc/15/04/26/375150426.db2.gz VOLPHGPTVOFBFG-UHFFFAOYSA-N -1 3 273.317 1.993 20 30 CDEDHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cccnc1C#N ZINC000232896678 375930628 /nfs/dbraw/zinc/93/06/28/375930628.db2.gz QCOCUXRWSBXTRG-LBPRGKRZSA-N -1 3 297.380 1.029 20 30 CDEDHM C=CC1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000328956518 376020500 /nfs/dbraw/zinc/02/05/00/376020500.db2.gz NRUZPOBEWQEDJC-VIFPVBQESA-N -1 3 251.286 1.054 20 30 CDEDHM C=C[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000290279197 378370675 /nfs/dbraw/zinc/37/06/75/378370675.db2.gz VGRKLMDQPDJQEU-ZETCQYMHSA-N -1 3 281.786 1.535 20 30 CDEDHM CC(=O)c1ccc(C(=O)NCC(C)(C)C#N)cc1[O-] ZINC000412255425 483182993 /nfs/dbraw/zinc/18/29/93/483182993.db2.gz ZETHDQDGGQAINV-UHFFFAOYSA-N -1 3 260.293 1.874 20 30 CDEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000280912255 195026433 /nfs/dbraw/zinc/02/64/33/195026433.db2.gz ADGAGEVRFXBLAS-SNVBAGLBSA-N -1 3 257.359 1.362 20 30 CDEDHM C#CCCCC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000192177668 533014726 /nfs/dbraw/zinc/01/47/26/533014726.db2.gz RJSRPIOKTCSDQH-UHFFFAOYSA-N -1 3 274.320 1.042 20 30 CDEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1ccon1 ZINC000489699948 253008140 /nfs/dbraw/zinc/00/81/40/253008140.db2.gz BZPYAMJDZCWAKZ-QMMMGPOBSA-N -1 3 295.295 1.725 20 30 CDEDHM N#Cc1ccccc1SCCCOC([O-])=NC(N)=O ZINC000497018655 254000002 /nfs/dbraw/zinc/00/00/02/254000002.db2.gz RKJOURUUGXMORF-UHFFFAOYSA-N -1 3 279.321 1.845 20 30 CDEDHM N#Cc1ccccc1SCCCOC(=O)N=C(N)[O-] ZINC000497018655 254000004 /nfs/dbraw/zinc/00/00/04/254000004.db2.gz RKJOURUUGXMORF-UHFFFAOYSA-N -1 3 279.321 1.845 20 30 CDEDHM N#Cc1ccccc1SCCCOC(=O)[N-]C(N)=O ZINC000497018655 254000005 /nfs/dbraw/zinc/00/00/05/254000005.db2.gz RKJOURUUGXMORF-UHFFFAOYSA-N -1 3 279.321 1.845 20 30 CDEDHM CN1CCCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188217564 390951821 /nfs/dbraw/zinc/95/18/21/390951821.db2.gz IJAYIJMAENMFGA-UHFFFAOYSA-N -1 3 259.309 1.042 20 30 CDEDHM CN(C)Cc1ccnc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188613343 390971536 /nfs/dbraw/zinc/97/15/36/390971536.db2.gz ZABNOSRIFWILSS-UHFFFAOYSA-N -1 3 296.330 1.973 20 30 CDEDHM C=CCCC[C@H](C)NC(=O)C(=O)[N-]c1cnns1 ZINC000192066956 391047331 /nfs/dbraw/zinc/04/73/31/391047331.db2.gz JAKSWPDHAQLYPR-QMMMGPOBSA-N -1 3 268.342 1.338 20 30 CDEDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CC#N)c1C ZINC000178320649 391185321 /nfs/dbraw/zinc/18/53/21/391185321.db2.gz NRJJUVHRICOSGA-VIFPVBQESA-N -1 3 297.336 1.792 20 30 CDEDHM Cc1ncc(CO)c(/C=N/[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000269943696 391260101 /nfs/dbraw/zinc/26/01/01/391260101.db2.gz FDQRVXUASGXZMF-GYRGYKAQSA-N -1 3 264.325 1.310 20 30 CDEDHM C=CCSCC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000339170073 391261287 /nfs/dbraw/zinc/26/12/87/391261287.db2.gz HWYGPJIWVKGVEF-UHFFFAOYSA-N -1 3 276.358 1.418 20 30 CDEDHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)[C@H](C)C#N)c1 ZINC000416381765 391281288 /nfs/dbraw/zinc/28/12/88/391281288.db2.gz FFDBJUSBXOSFST-SNVBAGLBSA-N -1 3 295.364 1.019 20 30 CDEDHM CC(C)Cn1cnc(S(=O)(=O)[N-]CC2(C#N)CCC2)c1 ZINC000416669781 391327969 /nfs/dbraw/zinc/32/79/69/391327969.db2.gz KAJMQYRWRMKBPQ-UHFFFAOYSA-N -1 3 296.396 1.511 20 30 CDEDHM C=CCSCC[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000359243355 391583972 /nfs/dbraw/zinc/58/39/72/391583972.db2.gz XNUGCMQUOLGIBK-UHFFFAOYSA-N -1 3 292.451 1.903 20 30 CDEDHM N#Cc1cccc(NC(=O)[N-]OC[C@@H]2CCOC2)c1 ZINC000191030569 130174302 /nfs/dbraw/zinc/17/43/02/130174302.db2.gz YMOGKKZDPFVCLV-LLVKDONJSA-N -1 3 261.281 1.648 20 30 CDEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1c[n-]nn1 ZINC000416339588 392860718 /nfs/dbraw/zinc/86/07/18/392860718.db2.gz HNMSCPTXRHUVCY-LBPRGKRZSA-N -1 3 267.292 1.484 20 30 CDEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cnn[n-]1 ZINC000416339588 392860723 /nfs/dbraw/zinc/86/07/23/392860723.db2.gz HNMSCPTXRHUVCY-LBPRGKRZSA-N -1 3 267.292 1.484 20 30 CDEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cn[n-]n1 ZINC000416339588 392860729 /nfs/dbraw/zinc/86/07/29/392860729.db2.gz HNMSCPTXRHUVCY-LBPRGKRZSA-N -1 3 267.292 1.484 20 30 CDEDHM N#Cc1cccc(Cn2cc(Cl)c(=O)[n-]c2=O)c1F ZINC000223551446 140173092 /nfs/dbraw/zinc/17/30/92/140173092.db2.gz TZQJVFKUSOCMCI-UHFFFAOYSA-N -1 3 279.658 1.249 20 30 CDEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@@H]1CCCO1 ZINC000230335038 140210848 /nfs/dbraw/zinc/21/08/48/140210848.db2.gz VRZMSABNGLZKOZ-WPRPVWTQSA-N -1 3 286.378 1.466 20 30 CDEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(C)C ZINC000490974645 397713908 /nfs/dbraw/zinc/71/39/08/397713908.db2.gz PWDPCUGXOGVWAV-LBPRGKRZSA-N -1 3 280.324 1.633 20 30 CDEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccn1 ZINC000344229286 397829901 /nfs/dbraw/zinc/82/99/01/397829901.db2.gz HIMLHDBBUFDPGV-SECBINFHSA-N -1 3 277.305 1.586 20 30 CDEDHM C=CCN1CC[C@@H](N2CCCC[C@H]2CC(=O)[O-])C1=O ZINC000650507115 398018347 /nfs/dbraw/zinc/01/83/47/398018347.db2.gz HHCHQRNEHMYXDS-NWDGAFQWSA-N -1 3 266.341 1.103 20 30 CDEDHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)n[nH]1 ZINC000352539023 155259180 /nfs/dbraw/zinc/25/91/80/155259180.db2.gz SEKHFOBZOXBLLG-ZCFIWIBFSA-N -1 3 297.365 1.086 20 30 CDEDHM CCn1cnnc1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC000356070336 157342790 /nfs/dbraw/zinc/34/27/90/157342790.db2.gz RSRJTVQNVMEROF-UHFFFAOYSA-N -1 3 276.687 1.470 20 30 CDEDHM C#C[C@H](C)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588326665 1173026925 /nfs/dbraw/zinc/02/69/25/1173026925.db2.gz RNYSTCWRXHZHLP-MNOVXSKESA-N -1 3 283.335 1.183 20 30 CDEDHM C#C[C@H](C)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588326665 1173026932 /nfs/dbraw/zinc/02/69/32/1173026932.db2.gz RNYSTCWRXHZHLP-MNOVXSKESA-N -1 3 283.335 1.183 20 30 CDEDHM C#C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Br ZINC001588326406 1173027280 /nfs/dbraw/zinc/02/72/80/1173027280.db2.gz LHLHBTDKPATILM-LURJTMIESA-N -1 3 293.128 1.458 20 30 CDEDHM C#C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Br ZINC001588326406 1173027287 /nfs/dbraw/zinc/02/72/87/1173027287.db2.gz LHLHBTDKPATILM-LURJTMIESA-N -1 3 293.128 1.458 20 30 CDEDHM C#CC[C@@H]1CCN(c2cc(-c3nnn[n-]3)cc(C)n2)C1 ZINC001588337862 1173042453 /nfs/dbraw/zinc/04/24/53/1173042453.db2.gz XMMBWFFOQSNEAN-LLVKDONJSA-N -1 3 268.324 1.420 20 30 CDEDHM C#CC[C@@H]1CCN(c2cc(-c3nn[n-]n3)cc(C)n2)C1 ZINC001588337862 1173042463 /nfs/dbraw/zinc/04/24/63/1173042463.db2.gz XMMBWFFOQSNEAN-LLVKDONJSA-N -1 3 268.324 1.420 20 30 CDEDHM CC(=O)c1ccc(C(=O)N2CC[C@](F)(C#N)C2)cc1[O-] ZINC000665446568 414187805 /nfs/dbraw/zinc/18/78/05/414187805.db2.gz YJAGUTQIBBJFTI-AWEZNQCLSA-N -1 3 276.267 1.673 20 30 CDEDHM CC(C)[C@@H](NCc1ccc(F)cc1C#N)C(=O)[O-] ZINC000071263794 176097004 /nfs/dbraw/zinc/09/70/04/176097004.db2.gz HZKJMJIVXIKZGP-GFCCVEGCSA-N -1 3 250.273 1.896 20 30 CDEDHM Cc1nccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)n1 ZINC000077459862 177271319 /nfs/dbraw/zinc/27/13/19/177271319.db2.gz GQSXCVASQAKJAQ-UHFFFAOYSA-N -1 3 270.252 1.799 20 30 CDEDHM Cc1nccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)n1 ZINC000077459862 177271321 /nfs/dbraw/zinc/27/13/21/177271321.db2.gz GQSXCVASQAKJAQ-UHFFFAOYSA-N -1 3 270.252 1.799 20 30 CDEDHM Cc1nccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)n1 ZINC000077459862 177271323 /nfs/dbraw/zinc/27/13/23/177271323.db2.gz GQSXCVASQAKJAQ-UHFFFAOYSA-N -1 3 270.252 1.799 20 30 CDEDHM C=CCCN(C)c1nnc(C)c(C)c1-c1nnn[n-]1 ZINC001588603808 1173089244 /nfs/dbraw/zinc/08/92/44/1173089244.db2.gz WNENBGCKDHXKBU-UHFFFAOYSA-N -1 3 259.317 1.286 20 30 CDEDHM C=CCCN(C)c1nnc(C)c(C)c1-c1nn[n-]n1 ZINC001588603808 1173089251 /nfs/dbraw/zinc/08/92/51/1173089251.db2.gz WNENBGCKDHXKBU-UHFFFAOYSA-N -1 3 259.317 1.286 20 30 CDEDHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C#N)C(C)C)c1 ZINC000336450694 227021988 /nfs/dbraw/zinc/02/19/88/227021988.db2.gz DYJJDPZGQDDKDS-NSHDSACASA-N -1 3 270.329 1.961 20 30 CDEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cccc2nonc21 ZINC000129325289 260835196 /nfs/dbraw/zinc/83/51/96/260835196.db2.gz JPJHWUHEKPQMIE-JTQLQIEISA-N -1 3 294.336 1.439 20 30 CDEDHM C#C[C@H](NC(=O)N=c1cc2ccccn2[n-]1)C(C)C ZINC000491254744 261391104 /nfs/dbraw/zinc/39/11/04/261391104.db2.gz UQBAJFXHGUVLOR-LBPRGKRZSA-N -1 3 256.309 1.536 20 30 CDEDHM C=CCCOCCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000355248954 262357547 /nfs/dbraw/zinc/35/75/47/262357547.db2.gz AEKIIXMFHLGMRE-UHFFFAOYSA-N -1 3 286.335 1.794 20 30 CDEDHM C=C(C)C[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000122653271 262460910 /nfs/dbraw/zinc/46/09/10/262460910.db2.gz FVTUHEGUKSQKIS-UHFFFAOYSA-N -1 3 291.170 1.699 20 30 CDEDHM COc1cc(C(=O)N2CCSC[C@@H]2C#N)ccc1[O-] ZINC000276005028 263034655 /nfs/dbraw/zinc/03/46/55/263034655.db2.gz PJAINLNOZPQSLV-JTQLQIEISA-N -1 3 278.333 1.482 20 30 CDEDHM N#CCCN(CC1CC1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000277327856 263040630 /nfs/dbraw/zinc/04/06/30/263040630.db2.gz CRSAJXDBVUPGGS-UHFFFAOYSA-N -1 3 287.298 1.863 20 30 CDEDHM N#CCCN(CC1CC1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000277327856 263040631 /nfs/dbraw/zinc/04/06/31/263040631.db2.gz CRSAJXDBVUPGGS-UHFFFAOYSA-N -1 3 287.298 1.863 20 30 CDEDHM N#CCCN(CC1CC1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000277327856 263040632 /nfs/dbraw/zinc/04/06/32/263040632.db2.gz CRSAJXDBVUPGGS-UHFFFAOYSA-N -1 3 287.298 1.863 20 30 CDEDHM CC[C@](C)(C#N)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000287585238 263102225 /nfs/dbraw/zinc/10/22/25/263102225.db2.gz LPSRPNMLVQRFSB-CYBMUJFWSA-N -1 3 270.296 1.745 20 30 CDEDHM CC[C@](C)(C#N)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000287585238 263102226 /nfs/dbraw/zinc/10/22/26/263102226.db2.gz LPSRPNMLVQRFSB-CYBMUJFWSA-N -1 3 270.296 1.745 20 30 CDEDHM CC[C@](C)(C#N)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000287585238 263102227 /nfs/dbraw/zinc/10/22/27/263102227.db2.gz LPSRPNMLVQRFSB-CYBMUJFWSA-N -1 3 270.296 1.745 20 30 CDEDHM Cc1nnc(CC/N=C/c2ccc(O)c([O-])c2O)s1 ZINC000290479656 263117064 /nfs/dbraw/zinc/11/70/64/263117064.db2.gz HBHXLPPOZAJNKF-AWNIVKPZSA-N -1 3 279.321 1.625 20 30 CDEDHM C=CCC(C)(C)C(=O)Nc1nc(CC(=O)OC)n[n-]1 ZINC000340431319 263142332 /nfs/dbraw/zinc/14/23/32/263142332.db2.gz QDSJDCKYPWJEQU-UHFFFAOYSA-N -1 3 266.301 1.061 20 30 CDEDHM C=CCC(C)(C)C(=O)Nc1nnc(CC(=O)OC)[n-]1 ZINC000340431319 263142333 /nfs/dbraw/zinc/14/23/33/263142333.db2.gz QDSJDCKYPWJEQU-UHFFFAOYSA-N -1 3 266.301 1.061 20 30 CDEDHM C=CCC(C)(C)C(=O)Nc1n[n-]c(CC(=O)OC)n1 ZINC000340431319 263142336 /nfs/dbraw/zinc/14/23/36/263142336.db2.gz QDSJDCKYPWJEQU-UHFFFAOYSA-N -1 3 266.301 1.061 20 30 CDEDHM O=C(N[C@@H](CCO)C1CCOCC1)c1ccccc1[O-] ZINC000331235022 264174277 /nfs/dbraw/zinc/17/42/77/264174277.db2.gz LFPFXBRGSONUGV-ZDUSSCGKSA-N -1 3 279.336 1.874 20 30 CDEDHM CC#CCC[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000356598228 266145198 /nfs/dbraw/zinc/14/51/98/266145198.db2.gz TVJWWASDYZGQDJ-UHFFFAOYSA-N -1 3 269.370 1.231 20 30 CDEDHM C=CCC(CC=C)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000357006389 266230755 /nfs/dbraw/zinc/23/07/55/266230755.db2.gz BGUKLMMROPSVEB-UHFFFAOYSA-N -1 3 273.336 1.835 20 30 CDEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000359238253 266553577 /nfs/dbraw/zinc/55/35/77/266553577.db2.gz RVGJUQGQMJQZOF-SECBINFHSA-N -1 3 290.410 1.168 20 30 CDEDHM CCC[C@H](O)CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590559560 1173464530 /nfs/dbraw/zinc/46/45/30/1173464530.db2.gz IBCGIAMFACKEGV-NSHDSACASA-N -1 3 286.339 1.701 20 30 CDEDHM CCC[C@H](O)CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590559560 1173464534 /nfs/dbraw/zinc/46/45/34/1173464534.db2.gz IBCGIAMFACKEGV-NSHDSACASA-N -1 3 286.339 1.701 20 30 CDEDHM N#Cc1cccc(C#N)c1N1CCc2nc[n-]c(=O)c2C1 ZINC000302882463 303202790 /nfs/dbraw/zinc/20/27/90/303202790.db2.gz JZZKUBQVEGJFSP-UHFFFAOYSA-N -1 3 277.287 1.488 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N[C@H](C#N)C(C)(C)C ZINC001591783255 1173704334 /nfs/dbraw/zinc/70/43/34/1173704334.db2.gz QKZOINYXKKJGBD-SNVBAGLBSA-N -1 3 287.327 1.171 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N[C@H](C#N)C(C)(C)C ZINC001591783255 1173704341 /nfs/dbraw/zinc/70/43/41/1173704341.db2.gz QKZOINYXKKJGBD-SNVBAGLBSA-N -1 3 287.327 1.171 20 30 CDEDHM Cc1cc(Cl)cc(NC(=O)Cn2cnc(C#N)n2)c1[O-] ZINC000179803263 315993139 /nfs/dbraw/zinc/99/31/39/315993139.db2.gz OEQHZPTVWVRMKY-UHFFFAOYSA-N -1 3 291.698 1.456 20 30 CDEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)C2CCCCC2)c1[O-] ZINC000263936580 328156409 /nfs/dbraw/zinc/15/64/09/328156409.db2.gz SNJLRBKKIGMACK-LJZSXMKHSA-N -1 3 292.379 1.948 20 30 CDEDHM C=CCNC(=O)[C@@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419610426 329739787 /nfs/dbraw/zinc/73/97/87/329739787.db2.gz YCXPARKIVGMWPW-SECBINFHSA-N -1 3 293.392 1.984 20 30 CDEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000287087469 330043566 /nfs/dbraw/zinc/04/35/66/330043566.db2.gz YIAGQXPLTPLVNU-LURJTMIESA-N -1 3 277.708 1.455 20 30 CDEDHM C=C(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119172825 330370672 /nfs/dbraw/zinc/37/06/72/330370672.db2.gz VVGZCHJVAOZQFH-UHFFFAOYSA-N -1 3 276.339 1.819 20 30 CDEDHM C=CCC[C@H]([N-]S(=O)(=O)N(CC)CC)C(=O)OCC ZINC000452025312 331050810 /nfs/dbraw/zinc/05/08/10/331050810.db2.gz WTTMVLDVSOLAFI-NSHDSACASA-N -1 3 292.401 1.061 20 30 CDEDHM COCCN(CC#N)C(=O)Cc1ccc([O-])cc1Cl ZINC000457207456 331216032 /nfs/dbraw/zinc/21/60/32/331216032.db2.gz VBELCSRIFKZGHI-UHFFFAOYSA-N -1 3 282.727 1.587 20 30 CDEDHM C#CCN(CC#N)C(=O)Cc1ccc([O-])cc1Cl ZINC000491022964 332140285 /nfs/dbraw/zinc/14/02/85/332140285.db2.gz UKXQUMSRTTYDLZ-UHFFFAOYSA-N -1 3 262.696 1.573 20 30 CDEDHM C#CCN1CCC[C@@H]1COC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000491072077 332146618 /nfs/dbraw/zinc/14/66/18/332146618.db2.gz PKEQIPQYXYKTCB-GFCCVEGCSA-N -1 3 290.319 1.056 20 30 CDEDHM C#C[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(C)C ZINC000491712002 332303324 /nfs/dbraw/zinc/30/33/24/332303324.db2.gz YEJJGSBFCWWVMC-CYBMUJFWSA-N -1 3 259.305 1.982 20 30 CDEDHM CC(C)N(CCC#N)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000548305042 334149994 /nfs/dbraw/zinc/14/99/94/334149994.db2.gz JARABYISXINGNH-UHFFFAOYSA-N -1 3 289.335 1.273 20 30 CDEDHM CC1(C)C[C@]1(C#N)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566452769 334649850 /nfs/dbraw/zinc/64/98/50/334649850.db2.gz 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XQLOBEKMFZDMQI-UHFFFAOYSA-N -1 3 285.263 1.515 20 30 CDEDHM C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[O-] ZINC000671997220 483640962 /nfs/dbraw/zinc/64/09/62/483640962.db2.gz PZEMHXFRZDEECJ-PWFXGISBSA-N -1 3 266.341 1.213 20 30 CDEDHM C#CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000069682434 518238666 /nfs/dbraw/zinc/23/86/66/518238666.db2.gz KNVGJWARLZNOBR-UHFFFAOYSA-N -1 3 258.730 1.425 20 30 CDEDHM N#CC1(CS(=O)(=O)[N-]C[C@H](O)C2CC2)CCCCC1 ZINC000331599382 534560337 /nfs/dbraw/zinc/56/03/37/534560337.db2.gz ZCLLUPMKLJAHLP-LBPRGKRZSA-N -1 3 286.397 1.151 20 30 CDEDHM C=CCOc1ccccc1CNc1nc2[nH][n-]cc-2c(=N)n1 ZINC000354577420 526936159 /nfs/dbraw/zinc/93/61/59/526936159.db2.gz MKHPKNFGXFGGOZ-UHFFFAOYSA-N -1 3 296.334 1.316 20 30 CDEDHM COCCON=Cc1cc(OC)c([O-])c(OC)c1 ZINC000748791976 574525618 /nfs/dbraw/zinc/52/56/18/574525618.db2.gz SQKDLRCRTXNRGA-UHFFFAOYSA-N -1 3 255.270 1.406 20 30 CDEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cnccn1 ZINC000737796427 574731198 /nfs/dbraw/zinc/73/11/98/574731198.db2.gz GUTQODZRAZCJFB-PLNGDYQASA-N -1 3 278.275 1.553 20 30 CDEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cnccn1 ZINC000737796427 574731199 /nfs/dbraw/zinc/73/11/99/574731199.db2.gz GUTQODZRAZCJFB-PLNGDYQASA-N -1 3 278.275 1.553 20 30 CDEDHM N#Cc1ccc(NC(=O)COCC2CC2)cc1-c1nnn[n-]1 ZINC000737716080 574746576 /nfs/dbraw/zinc/74/65/76/574746576.db2.gz LAABRBFBDAFADH-UHFFFAOYSA-N -1 3 298.306 1.103 20 30 CDEDHM N#Cc1ccc(NC(=O)COCC2CC2)cc1-c1nn[n-]n1 ZINC000737716080 574746578 /nfs/dbraw/zinc/74/65/78/574746578.db2.gz LAABRBFBDAFADH-UHFFFAOYSA-N -1 3 298.306 1.103 20 30 CDEDHM Cc1ccc(C2CC(=NN3CC(=O)[N-]C3=O)C2)cc1 ZINC000729816400 574824641 /nfs/dbraw/zinc/82/46/41/574824641.db2.gz KSUPEFVJJVXTAE-UHFFFAOYSA-N -1 3 257.293 1.780 20 30 CDEDHM N#CCN(Cc1cn2ccccc2c1-c1nnn[n-]1)C1CC1 ZINC000737693966 574834676 /nfs/dbraw/zinc/83/46/76/574834676.db2.gz VAWYLYKKAIQUNI-UHFFFAOYSA-N -1 3 293.334 1.607 20 30 CDEDHM N#CCN(Cc1cn2ccccc2c1-c1nn[n-]n1)C1CC1 ZINC000737693966 574834678 /nfs/dbraw/zinc/83/46/78/574834678.db2.gz VAWYLYKKAIQUNI-UHFFFAOYSA-N -1 3 293.334 1.607 20 30 CDEDHM C#CCOc1ccccc1OS(=O)(=O)c1cn[n-]c1C ZINC000732221473 575084324 /nfs/dbraw/zinc/08/43/24/575084324.db2.gz ADLVGXBVNPFNPN-UHFFFAOYSA-N -1 3 292.316 1.498 20 30 CDEDHM C[C@@](C#N)(NC(=O)COC(=O)c1cc([O-])cs1)C1CC1 ZINC000732354900 575088197 /nfs/dbraw/zinc/08/81/97/575088197.db2.gz VUDWOEVMXNDESF-ZDUSSCGKSA-N -1 3 294.332 1.419 20 30 CDEDHM COc1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cn1 ZINC000734079115 575155159 /nfs/dbraw/zinc/15/51/59/575155159.db2.gz KEXZNYYOEIDJAX-GFCCVEGCSA-N -1 3 296.286 1.446 20 30 CDEDHM C=CCC(=N[N-]S(C)(=O)=O)c1ccc(F)cc1 ZINC000764704552 575936188 /nfs/dbraw/zinc/93/61/88/575936188.db2.gz OUUNCLZMPONTMP-UHFFFAOYSA-N -1 3 256.302 1.655 20 30 CDEDHM N#C[C@H]1CSCCN1Cc1cc2c(cc1[O-])OCO2 ZINC000774644359 575223486 /nfs/dbraw/zinc/22/34/86/575223486.db2.gz TVEAGULMMQILKE-JTQLQIEISA-N -1 3 278.333 1.562 20 30 CDEDHM COc1ccnc(N=NCc2cc(F)ccc2[O-])n1 ZINC000755638912 575406575 /nfs/dbraw/zinc/40/65/75/575406575.db2.gz BLVXEFAGXGMMEY-UHFFFAOYSA-N -1 3 262.244 1.776 20 30 CDEDHM C#CCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735374928 575460353 /nfs/dbraw/zinc/46/03/53/575460353.db2.gz GKTQIFIZRAJZSN-HJWRWDBZSA-N -1 3 267.292 1.019 20 30 CDEDHM C#CCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735374928 575460355 /nfs/dbraw/zinc/46/03/55/575460355.db2.gz GKTQIFIZRAJZSN-HJWRWDBZSA-N -1 3 267.292 1.019 20 30 CDEDHM C=C1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735402736 575465414 /nfs/dbraw/zinc/46/54/14/575465414.db2.gz ITFMAUMPPLIHII-UHFFFAOYSA-N -1 3 286.295 1.931 20 30 CDEDHM C=C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735402736 575465416 /nfs/dbraw/zinc/46/54/16/575465416.db2.gz ITFMAUMPPLIHII-UHFFFAOYSA-N -1 3 286.295 1.931 20 30 CDEDHM C=CCOC(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000735437089 575468433 /nfs/dbraw/zinc/46/84/33/575468433.db2.gz DMUYRHWBJIPCLY-ZDUSSCGKSA-N -1 3 299.334 1.565 20 30 CDEDHM C=CCOC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735437089 575468438 /nfs/dbraw/zinc/46/84/38/575468438.db2.gz DMUYRHWBJIPCLY-ZDUSSCGKSA-N -1 3 299.334 1.565 20 30 CDEDHM C[C@H](CC#N)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735964313 575540315 /nfs/dbraw/zinc/54/03/15/575540315.db2.gz XZPKDVTXPXYNJX-SKVAFPRGSA-N -1 3 296.334 1.640 20 30 CDEDHM C[C@H](CC#N)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735964313 575540318 /nfs/dbraw/zinc/54/03/18/575540318.db2.gz XZPKDVTXPXYNJX-SKVAFPRGSA-N -1 3 296.334 1.640 20 30 CDEDHM CCC(CC)NN=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736345595 575630739 /nfs/dbraw/zinc/63/07/39/575630739.db2.gz JJZFUCRREOFGDA-UHFFFAOYSA-N -1 3 288.355 1.987 20 30 CDEDHM CCC(CC)NN=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736345595 575630742 /nfs/dbraw/zinc/63/07/42/575630742.db2.gz JJZFUCRREOFGDA-UHFFFAOYSA-N -1 3 288.355 1.987 20 30 CDEDHM C[C@H](CN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1)C(=O)[O-] ZINC000736574727 575694169 /nfs/dbraw/zinc/69/41/69/575694169.db2.gz HBOHSSLKXAWRGT-VXGBXAGGSA-N -1 3 295.383 1.370 20 30 CDEDHM CO[C@@H](C)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736958887 575777317 /nfs/dbraw/zinc/77/73/17/575777317.db2.gz YCLQJRZFXIVWAI-QMMMGPOBSA-N -1 3 286.295 1.102 20 30 CDEDHM CO[C@@H](C)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736958887 575777319 /nfs/dbraw/zinc/77/73/19/575777319.db2.gz YCLQJRZFXIVWAI-QMMMGPOBSA-N -1 3 286.295 1.102 20 30 CDEDHM CS(=O)(=O)[N-]N=C(CC1CCCCC1)c1ncccn1 ZINC000764699605 575935206 /nfs/dbraw/zinc/93/52/06/575935206.db2.gz HIZYKOYTJIDCQX-UHFFFAOYSA-N -1 3 296.396 1.700 20 30 CDEDHM CCn1c2ccccc2nc1C(C)=N[N-]S(C)(=O)=O ZINC000764706908 575936659 /nfs/dbraw/zinc/93/66/59/575936659.db2.gz HCDNVASBXHPDKD-UHFFFAOYSA-N -1 3 280.353 1.329 20 30 CDEDHM CC(C)CO[C@@H]1CC(=N[N-]S(C)(=O)=O)C1(C)C ZINC000764705561 575936810 /nfs/dbraw/zinc/93/68/10/575936810.db2.gz YGTVCINUTDHFCA-SNVBAGLBSA-N -1 3 262.375 1.363 20 30 CDEDHM CN(C[C@@H]1CCCO1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737414293 575958972 /nfs/dbraw/zinc/95/89/72/575958972.db2.gz 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/nfs/dbraw/zinc/93/23/44/576932344.db2.gz BTEWLYLBQFNLPJ-UHFFFAOYSA-N -1 3 280.328 1.814 20 30 CDEDHM Cc1ccc2ncc(C=[NH+][N-]c3ncnc4[n-]cnc43)n2c1 ZINC000755662227 576954261 /nfs/dbraw/zinc/95/42/61/576954261.db2.gz QEOCMBKFIMIEEP-UHFFFAOYSA-N -1 3 292.306 1.755 20 30 CDEDHM Cc1cc(=O)[n-]c(N=NC2CN(C3CC3)C[C@H]2C)n1 ZINC000755876102 576965408 /nfs/dbraw/zinc/96/54/08/576965408.db2.gz ZAVSJPGWRIIFAN-MRVPVSSYSA-N -1 3 261.329 1.373 20 30 CDEDHM C[C@H](NC(=S)NN=Cc1cccc(O)c1[O-])C1CC1 ZINC000751531520 577048172 /nfs/dbraw/zinc/04/81/72/577048172.db2.gz ODSAGVNNMLSDCY-QMMMGPOBSA-N -1 3 279.365 1.694 20 30 CDEDHM N#CCCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000701299310 598747616 /nfs/dbraw/zinc/74/76/16/598747616.db2.gz YIFOSWURVFICQL-UHFFFAOYSA-N -1 3 270.296 1.290 20 30 CDEDHM N#CCCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000701299310 598747617 /nfs/dbraw/zinc/74/76/17/598747617.db2.gz YIFOSWURVFICQL-UHFFFAOYSA-N -1 3 270.296 1.290 20 30 CDEDHM C[C@@H](C#N)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824033788 607421905 /nfs/dbraw/zinc/42/19/05/607421905.db2.gz AYRBATBWFKBUOO-VIFPVBQESA-N -1 3 282.307 1.132 20 30 CDEDHM CCN(CCC#N)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825419040 607510066 /nfs/dbraw/zinc/51/00/66/607510066.db2.gz DYVVTAIUUZMHHS-UHFFFAOYSA-N -1 3 286.339 1.611 20 30 CDEDHM CCN(CCC#N)Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825419040 607510067 /nfs/dbraw/zinc/51/00/67/607510067.db2.gz DYVVTAIUUZMHHS-UHFFFAOYSA-N -1 3 286.339 1.611 20 30 CDEDHM C[C@@H]1[C@H](C)N(Cc2cccc(C(=O)[O-])c2C#N)CCN1C ZINC000833587488 604852235 /nfs/dbraw/zinc/85/22/35/604852235.db2.gz KXSMMVSUSURZQO-NEPJUHHUSA-N -1 3 287.363 1.781 20 30 CDEDHM C=C(C)CCOC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602758892 1175389996 /nfs/dbraw/zinc/38/99/96/1175389996.db2.gz TWFZGXWYZRWLKU-LBPRGKRZSA-N -1 3 288.307 1.410 20 30 CDEDHM C=C(C)CCOC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602758892 1175390000 /nfs/dbraw/zinc/39/00/00/1175390000.db2.gz TWFZGXWYZRWLKU-LBPRGKRZSA-N -1 3 288.307 1.410 20 30 CDEDHM C=CCCCOC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819740250 606144429 /nfs/dbraw/zinc/14/44/29/606144429.db2.gz WFAKFHNXMSNJNY-UHFFFAOYSA-N -1 3 272.308 1.919 20 30 CDEDHM C=CCCCOC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819740250 606144430 /nfs/dbraw/zinc/14/44/30/606144430.db2.gz WFAKFHNXMSNJNY-UHFFFAOYSA-N -1 3 272.308 1.919 20 30 CDEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cnccn1 ZINC000822928544 606392698 /nfs/dbraw/zinc/39/26/98/606392698.db2.gz JSAGAXAOKZGGTM-HNQUOIGGSA-N -1 3 284.304 1.614 20 30 CDEDHM N#CCCCCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822805954 606508090 /nfs/dbraw/zinc/50/80/90/606508090.db2.gz HBAQEYCDBWYDGK-UHFFFAOYSA-N -1 3 276.325 1.352 20 30 CDEDHM N#CCCCCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822805954 606508093 /nfs/dbraw/zinc/50/80/93/606508093.db2.gz HBAQEYCDBWYDGK-UHFFFAOYSA-N -1 3 276.325 1.352 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)[C@@H](C)CC#N ZINC000822218160 606657409 /nfs/dbraw/zinc/65/74/09/606657409.db2.gz YTYHAZMZAGTEDD-JTQLQIEISA-N -1 3 299.338 1.941 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)[C@@H](C)CC#N ZINC000822218160 606657410 /nfs/dbraw/zinc/65/74/10/606657410.db2.gz YTYHAZMZAGTEDD-JTQLQIEISA-N -1 3 299.338 1.941 20 30 CDEDHM C=C[C@](C)(CC)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC001602795388 1175404497 /nfs/dbraw/zinc/40/44/97/1175404497.db2.gz QWGSWKWYKXREAZ-CQSZACIVSA-N -1 3 289.339 1.964 20 30 CDEDHM C=C[C@](C)(CC)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC001602795388 1175404502 /nfs/dbraw/zinc/40/45/02/1175404502.db2.gz QWGSWKWYKXREAZ-CQSZACIVSA-N -1 3 289.339 1.964 20 30 CDEDHM C=C[C@H](C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000819730014 606813729 /nfs/dbraw/zinc/81/37/29/606813729.db2.gz PPQSFKVPPDQJDG-VIFPVBQESA-N -1 3 289.364 1.650 20 30 CDEDHM C=C[C@H](C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000819730014 606813731 /nfs/dbraw/zinc/81/37/31/606813731.db2.gz PPQSFKVPPDQJDG-VIFPVBQESA-N -1 3 289.364 1.650 20 30 CDEDHM C#CCCCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819693139 606955523 /nfs/dbraw/zinc/95/55/23/606955523.db2.gz NXEWGOSRVOYXLE-KHPPLWFESA-N -1 3 295.346 1.800 20 30 CDEDHM C#CCCCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819693139 606955525 /nfs/dbraw/zinc/95/55/25/606955525.db2.gz NXEWGOSRVOYXLE-KHPPLWFESA-N -1 3 295.346 1.800 20 30 CDEDHM C=CC[C@@H](C)NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602811415 1175412780 /nfs/dbraw/zinc/41/27/80/1175412780.db2.gz LXIYVDLZMZIKMP-SECBINFHSA-N -1 3 287.327 1.656 20 30 CDEDHM C=CC[C@@H](C)NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602811415 1175412783 /nfs/dbraw/zinc/41/27/83/1175412783.db2.gz LXIYVDLZMZIKMP-SECBINFHSA-N -1 3 287.327 1.656 20 30 CDEDHM Cc1c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC000826236091 607883297 /nfs/dbraw/zinc/88/32/97/607883297.db2.gz YFMVGYHQCKVPAK-BQYQJAHWSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826236091 607883298 /nfs/dbraw/zinc/88/32/98/607883298.db2.gz YFMVGYHQCKVPAK-BQYQJAHWSA-N -1 3 294.318 1.805 20 30 CDEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cnccn1 ZINC000826402193 607884689 /nfs/dbraw/zinc/88/46/89/607884689.db2.gz OLQDKHYLLRBWEM-WAYWQWQTSA-N -1 3 278.275 1.553 20 30 CDEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cnccn1 ZINC000826402193 607884690 /nfs/dbraw/zinc/88/46/90/607884690.db2.gz OLQDKHYLLRBWEM-WAYWQWQTSA-N -1 3 278.275 1.553 20 30 CDEDHM C#CCCCn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000823845435 608264965 /nfs/dbraw/zinc/26/49/65/608264965.db2.gz SGLJLMHGIXCTTR-UHFFFAOYSA-N -1 3 293.334 1.847 20 30 CDEDHM C#CCCCn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000823845435 608264967 /nfs/dbraw/zinc/26/49/67/608264967.db2.gz SGLJLMHGIXCTTR-UHFFFAOYSA-N -1 3 293.334 1.847 20 30 CDEDHM C#CC1(O)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000890526310 617196342 /nfs/dbraw/zinc/19/63/42/617196342.db2.gz UYCIPTVFLMIMAR-UHFFFAOYSA-N -1 3 285.221 1.231 20 30 CDEDHM CC(C)(F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824162650 608666852 /nfs/dbraw/zinc/66/68/52/608666852.db2.gz LBPHOTQTPDTAGL-UHFFFAOYSA-N -1 3 274.259 1.425 20 30 CDEDHM CC(C)(F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824162650 608666854 /nfs/dbraw/zinc/66/68/54/608666854.db2.gz LBPHOTQTPDTAGL-UHFFFAOYSA-N -1 3 274.259 1.425 20 30 CDEDHM C[C@@H]1C[C@H](NN=Cc2cc(-c3nnn[n-]3)cs2)CCO1 ZINC000824891563 609518836 /nfs/dbraw/zinc/51/88/36/609518836.db2.gz AVHCSEVYBHVYKL-PSASIEDQSA-N -1 3 292.368 1.419 20 30 CDEDHM C[C@@H]1C[C@H](NN=Cc2cc(-c3nn[n-]n3)cs2)CCO1 ZINC000824891563 609518837 /nfs/dbraw/zinc/51/88/37/609518837.db2.gz AVHCSEVYBHVYKL-PSASIEDQSA-N -1 3 292.368 1.419 20 30 CDEDHM COc1ccc(C=NNc2ccncc2)cc1-c1nnn[n-]1 ZINC000826190778 609522273 /nfs/dbraw/zinc/52/22/73/609522273.db2.gz NDWUKLAVOHBNPN-UHFFFAOYSA-N -1 3 295.306 1.138 20 30 CDEDHM Fc1ccc(F)c2c1OCCC2=NN=c1[n-]nc[nH]1 ZINC000807995474 617384928 /nfs/dbraw/zinc/38/49/28/617384928.db2.gz DKCONFYRBXMMRD-UHFFFAOYSA-N -1 3 265.223 1.682 20 30 CDEDHM C=CCN1CCCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC000968816113 613685396 /nfs/dbraw/zinc/68/53/96/613685396.db2.gz MQQOQSZTNWKGLW-GFCCVEGCSA-N -1 3 292.383 1.584 20 30 CDEDHM C=C(C)CO[N-]C(=O)CC1CCN(OCC)CC1 ZINC000855026522 617550074 /nfs/dbraw/zinc/55/00/74/617550074.db2.gz HPALGVBULWINKK-UHFFFAOYSA-N -1 3 256.346 1.664 20 30 CDEDHM CCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000043868658 617725026 /nfs/dbraw/zinc/72/50/26/617725026.db2.gz MBBROGPCNLTYFY-UHFFFAOYSA-N -1 3 262.309 1.749 20 30 CDEDHM Cc1nc(N2CCN(c3ccc(C#N)cn3)CC2)cc(=O)[n-]1 ZINC000891953336 617828049 /nfs/dbraw/zinc/82/80/49/617828049.db2.gz ZQMPJVWPETUSER-UHFFFAOYSA-N -1 3 296.334 1.084 20 30 CDEDHM CC(C)Cn1nccc1CN[C@@H]1CCCN([O-])C1=O ZINC000895157686 619373135 /nfs/dbraw/zinc/37/31/35/619373135.db2.gz DPUYGIFTDBPLDR-GFCCVEGCSA-N -1 3 266.345 1.009 20 30 CDEDHM CCc1nn(C)c(CC)c1CN[C@H]1CCCN([O-])C1=O ZINC000895163310 619386218 /nfs/dbraw/zinc/38/62/18/619386218.db2.gz TWZLYZZOCCEEKG-LBPRGKRZSA-N -1 3 280.372 1.015 20 30 CDEDHM O=C1[C@H](NCc2occc2Br)CCCN1[O-] ZINC000895164705 619391746 /nfs/dbraw/zinc/39/17/46/619391746.db2.gz HUILDSNZFQKVJP-MRVPVSSYSA-N -1 3 289.129 1.512 20 30 CDEDHM Cc1cc(=O)[n-]c(CNC(=O)[C@@]2(C#N)CC23CCCC3)n1 ZINC000898258227 621422893 /nfs/dbraw/zinc/42/28/93/621422893.db2.gz MMENIOUTUTYQIM-HNNXBMFYSA-N -1 3 286.335 1.581 20 30 CDEDHM C=CC(C)(C)CC(=O)NCCCc1c[n-][nH]c1=O ZINC000898745218 621854353 /nfs/dbraw/zinc/85/43/53/621854353.db2.gz OUTKVMOHICRTQB-SNVBAGLBSA-N -1 3 251.330 1.217 20 30 CDEDHM C[C@H]1C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CO1 ZINC000901372856 624210739 /nfs/dbraw/zinc/21/07/39/624210739.db2.gz OFXNJQBXTSEBEB-GXSJLCMTSA-N -1 3 253.273 1.969 20 30 CDEDHM C=CC[C@H]1CCCC[C@@H]1NCc1cn(CC(=O)[O-])nn1 ZINC000902350657 624714403 /nfs/dbraw/zinc/71/44/03/624714403.db2.gz NOISXYZFUVODBO-AAEUAGOBSA-N -1 3 278.356 1.587 20 30 CDEDHM C=CC[C@@H]1CCCC[C@@H]1NCc1cn(CC(=O)[O-])nn1 ZINC000902350661 624714956 /nfs/dbraw/zinc/71/49/56/624714956.db2.gz NOISXYZFUVODBO-YPMHNXCESA-N -1 3 278.356 1.587 20 30 CDEDHM CCCCN([O-])C(=O)CNC(=O)OCc1ccccc1 ZINC000904208605 626213164 /nfs/dbraw/zinc/21/31/64/626213164.db2.gz CELWQILOOBKKQT-UHFFFAOYSA-N -1 3 280.324 1.931 20 30 CDEDHM CCCCN([O-])C(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000904209343 626213749 /nfs/dbraw/zinc/21/37/49/626213749.db2.gz ZTWUGDPBAGMFBM-UHFFFAOYSA-N -1 3 286.278 1.713 20 30 CDEDHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)S(C)(=O)=O ZINC000904188991 626214712 /nfs/dbraw/zinc/21/47/12/626214712.db2.gz VWFODOUCKHXAKE-MRVPVSSYSA-N -1 3 291.756 1.491 20 30 CDEDHM C#CCN(C)CCCNC(=O)N(CCC)[C@H](CC)C(=O)[O-] ZINC000909037286 628473055 /nfs/dbraw/zinc/47/30/55/628473055.db2.gz GSRZLAQTINMBRB-CYBMUJFWSA-N -1 3 297.399 1.226 20 30 CDEDHM C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)C(=O)[O-] ZINC000910295765 629005033 /nfs/dbraw/zinc/00/50/33/629005033.db2.gz XOLZUNHOFYIGPN-NEPJUHHUSA-N -1 3 268.357 1.395 20 30 CDEDHM C#CCN(C)CCCNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000911404671 629271057 /nfs/dbraw/zinc/27/10/57/629271057.db2.gz CIOSDXIVKGPEGA-VURMDHGXSA-N -1 3 290.319 1.062 20 30 CDEDHM C#CC(C)(C)[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000914108809 631037504 /nfs/dbraw/zinc/03/75/04/631037504.db2.gz MVHDPAOCCSPHJC-UHFFFAOYSA-N -1 3 289.303 1.664 20 30 CDEDHM C#CCNC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914890487 631594840 /nfs/dbraw/zinc/59/48/40/631594840.db2.gz AMPAURYBGPZKFJ-MRVPVSSYSA-N -1 3 276.317 1.524 20 30 CDEDHM Cc1ncc(CO)c(/C=N\C[C@H]2CCCOC2)c1[O-] ZINC000917558728 632238662 /nfs/dbraw/zinc/23/86/62/632238662.db2.gz WOOQERVIXDPQDZ-LYGDGENHSA-N -1 3 264.325 1.433 20 30 CDEDHM CC(C)Oc1cccc(C=NN2CC(=O)[N-]C2=O)c1 ZINC000921258306 632907459 /nfs/dbraw/zinc/90/74/59/632907459.db2.gz DNGOTYAUUBTBQS-UHFFFAOYSA-N -1 3 261.281 1.360 20 30 CDEDHM C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001602862842 1175438828 /nfs/dbraw/zinc/43/88/28/1175438828.db2.gz IHAREXVJGDNTNW-SDDRHHMPSA-N -1 3 268.357 1.430 20 30 CDEDHM CC1(C)C[C@@]1(C#N)[N-]C(=O)C(F)(F)C1(O)CCC1 ZINC000794163178 1162462025 /nfs/dbraw/zinc/46/20/25/1162462025.db2.gz ZAGQRZRFCDBVPY-JTQLQIEISA-N -1 3 258.268 1.345 20 30 CDEDHM COc1nc(C)ccc1C([O-])=C(C#N)c1nccn1C ZINC001650440009 1158681206 /nfs/dbraw/zinc/68/12/06/1158681206.db2.gz BZUZSYGESOECBD-LLVKDONJSA-N -1 3 270.292 1.622 20 30 CDEDHM N#CCN1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001024336592 1159397115 /nfs/dbraw/zinc/39/71/15/1159397115.db2.gz BHPJHIOXLYIQQJ-LBPRGKRZSA-N -1 3 273.336 1.500 20 30 CDEDHM C[C@H](CCC#N)CN1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001604131040 1163098362 /nfs/dbraw/zinc/09/83/62/1163098362.db2.gz YFFDZOPYFMZQRB-SECBINFHSA-N -1 3 262.313 1.406 20 30 CDEDHM N#CCN1CCC[C@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001040082677 1160340582 /nfs/dbraw/zinc/34/05/82/1160340582.db2.gz HBWFMGSMVCZCSR-KRWDZBQOSA-N -1 3 299.374 1.844 20 30 CDEDHM CCCCNC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187438 1163433281 /nfs/dbraw/zinc/43/32/81/1163433281.db2.gz GYUICKYJELDPMT-JTQLQIEISA-N -1 3 290.319 1.725 20 30 CDEDHM COc1cc(C(=O)O[C@@H](C#N)C2CC2)ccc1-c1nnn[n-]1 ZINC001605200505 1163484579 /nfs/dbraw/zinc/48/45/79/1163484579.db2.gz ANZSWFDXFPJNKR-LBPRGKRZSA-N -1 3 299.290 1.334 20 30 CDEDHM COc1cc(C(=O)O[C@@H](C#N)C2CC2)ccc1-c1nn[n-]n1 ZINC001605200505 1163484583 /nfs/dbraw/zinc/48/45/83/1163484583.db2.gz ANZSWFDXFPJNKR-LBPRGKRZSA-N -1 3 299.290 1.334 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NNC12CC(C1)C2 ZINC001605514962 1163592674 /nfs/dbraw/zinc/59/26/74/1163592674.db2.gz GMABLROHDYDCPZ-UHFFFAOYSA-N -1 3 282.351 1.960 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NNC12CC(C1)C2 ZINC001605514962 1163592682 /nfs/dbraw/zinc/59/26/82/1163592682.db2.gz GMABLROHDYDCPZ-UHFFFAOYSA-N -1 3 282.351 1.960 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1OCCO[C@H](C)C#N ZINC001605542966 1163603903 /nfs/dbraw/zinc/60/39/03/1163603903.db2.gz CAZRGTJWZUFCEH-SNVBAGLBSA-N -1 3 273.296 1.483 20 30 CDEDHM Cc1cc(NC(=O)NC[C@H](C)C#N)cc(-c2nnn[n-]2)c1 ZINC001605712140 1163648866 /nfs/dbraw/zinc/64/88/66/1163648866.db2.gz WTTMVYHKVBLLON-SECBINFHSA-N -1 3 285.311 1.456 20 30 CDEDHM Cn1nccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001606281774 1163835425 /nfs/dbraw/zinc/83/54/25/1163835425.db2.gz KFNIXEOHIQEQDW-UHFFFAOYSA-N -1 3 268.284 1.046 20 30 CDEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCC1 ZINC001606337440 1163866770 /nfs/dbraw/zinc/86/67/70/1163866770.db2.gz IBPZBZWXTPUOSB-LBPRGKRZSA-N -1 3 296.334 1.218 20 30 CDEDHM N#Cc1ccc(F)c(CNc2cc(-c3nnn[n-]3)ccn2)c1 ZINC001606369091 1163881022 /nfs/dbraw/zinc/88/10/22/1163881022.db2.gz NZZZOKQPUXXHCK-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1ccc(F)c(CNc2cc(-c3nn[n-]n3)ccn2)c1 ZINC001606369091 1163881024 /nfs/dbraw/zinc/88/10/24/1163881024.db2.gz NZZZOKQPUXXHCK-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC(OC(F)F)C1 ZINC001606381479 1163884784 /nfs/dbraw/zinc/88/47/84/1163884784.db2.gz NZAYIPOMPJZARL-UHFFFAOYSA-N -1 3 292.249 1.166 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC(OC(F)F)C1 ZINC001606381479 1163884790 /nfs/dbraw/zinc/88/47/90/1163884790.db2.gz NZAYIPOMPJZARL-UHFFFAOYSA-N -1 3 292.249 1.166 20 30 CDEDHM O=C(C=Cc1cncnc1)c1ccccc1-c1nnn[n-]1 ZINC001606487625 1163914504 /nfs/dbraw/zinc/91/45/04/1163914504.db2.gz VWUPFMIECMVFIJ-AATRIKPKSA-N -1 3 278.275 1.553 20 30 CDEDHM 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C=C[C@](C)(CC)COC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588496953 1173069342 /nfs/dbraw/zinc/06/93/42/1173069342.db2.gz VJQXSVJTLGNVRP-CYBMUJFWSA-N -1 3 275.312 1.954 20 30 CDEDHM C=CC(C)(C)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001588475110 1173070504 /nfs/dbraw/zinc/07/05/04/1173070504.db2.gz JLFBKVSJCWSXEY-UHFFFAOYSA-N -1 3 283.335 1.968 20 30 CDEDHM C=CC(C)(C)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001588475110 1173070514 /nfs/dbraw/zinc/07/05/14/1173070514.db2.gz JLFBKVSJCWSXEY-UHFFFAOYSA-N -1 3 283.335 1.968 20 30 CDEDHM C=CCN(CC=C)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588631670 1173093077 /nfs/dbraw/zinc/09/30/77/1173093077.db2.gz KOKOFOVQSIYXPB-UHFFFAOYSA-N -1 3 299.334 1.446 20 30 CDEDHM C=CCN(CC=C)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588631789 1173093556 /nfs/dbraw/zinc/09/35/56/1173093556.db2.gz MDUTWGBKHPSSSX-UHFFFAOYSA-N -1 3 299.334 1.446 20 30 CDEDHM C=CCN(CC=C)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588631789 1173093565 /nfs/dbraw/zinc/09/35/65/1173093565.db2.gz 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CC[C@](C)(C#N)C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001590371456 1173378787 /nfs/dbraw/zinc/37/87/87/1173378787.db2.gz AAJJQNHCETWTJF-OAHLLOKOSA-N -1 3 296.334 1.696 20 30 CDEDHM CCOCCON=Cc1ccc(-c2nnn[n-]2)s1 ZINC001590816851 1173518878 /nfs/dbraw/zinc/51/88/78/1173518878.db2.gz UGVVZWNAHZADQE-UHFFFAOYSA-N -1 3 267.314 1.315 20 30 CDEDHM Cc1cc(Cn2c(C)nc(C#N)c2-c2nnn[n-]2)c(C)s1 ZINC001591978015 1173765950 /nfs/dbraw/zinc/76/59/50/1173765950.db2.gz PYZWACXYSKZUSE-UHFFFAOYSA-N -1 3 299.363 1.970 20 30 CDEDHM Cc1cc(Cn2c(C)nc(C#N)c2-c2nn[n-]n2)c(C)s1 ZINC001591978015 1173765962 /nfs/dbraw/zinc/76/59/62/1173765962.db2.gz PYZWACXYSKZUSE-UHFFFAOYSA-N -1 3 299.363 1.970 20 30 CDEDHM Cn1c(C(=O)N[C@H](C#N)C2CCCC2)ccc1-c1nnn[n-]1 ZINC001592548383 1173917924 /nfs/dbraw/zinc/91/79/24/1173917924.db2.gz VRQXOESLDIRIDN-SNVBAGLBSA-N -1 3 299.338 1.017 20 30 CDEDHM Cn1c(C(=O)N[C@H](C#N)C2CCCC2)ccc1-c1nn[n-]n1 ZINC001592548383 1173917933 /nfs/dbraw/zinc/91/79/33/1173917933.db2.gz VRQXOESLDIRIDN-SNVBAGLBSA-N 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261.277 1.008 20 30 CDEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)n[nH]1 ZINC000125203847 788090746 /nfs/dbraw/zinc/09/07/46/788090746.db2.gz AGGJPWIGVBIBRE-SNVBAGLBSA-N -1 3 297.318 1.889 20 30 CDEDHM O=C1CN(N=Cc2cc(O)cc(C(F)(F)F)c2)C(=O)[N-]1 ZINC000811635958 788308529 /nfs/dbraw/zinc/30/85/29/788308529.db2.gz RWSWYYRSTQLUBW-UHFFFAOYSA-N -1 3 287.197 1.297 20 30 CDEDHM Cc1ccsc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816753257 788326228 /nfs/dbraw/zinc/32/62/28/788326228.db2.gz CVSKTJSLGSYZRU-QMMMGPOBSA-N -1 3 254.311 1.167 20 30 CDEDHM N#CCOc1ccc(CC(=O)[N-]OC/C=C\Cl)cc1 ZINC000812401834 788339881 /nfs/dbraw/zinc/33/98/81/788339881.db2.gz ABRKHGXNSGVXLQ-BHQIHCQQSA-N -1 3 280.711 1.932 20 30 CDEDHM CC[C@H](CC#N)NCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000846988881 788414747 /nfs/dbraw/zinc/41/47/47/788414747.db2.gz VDVFVHUWVLVUOW-GFCCVEGCSA-N -1 3 289.335 1.233 20 30 CDEDHM C=C(C)CN1CC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001038070162 788624937 /nfs/dbraw/zinc/62/49/37/788624937.db2.gz 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254.311 1.394 20 30 CDEDHM CN1CCC[C@@H]2CN(C(=O)c3ccc([O-])c(C#N)c3)C[C@H]21 ZINC001193505110 923751236 /nfs/dbraw/zinc/75/12/36/923751236.db2.gz XWKZNGXAUQOSQF-TZMCWYRMSA-N -1 3 285.347 1.430 20 30 CDEDHM CN1CCC[C@H]2CN(C(=O)c3cccc(C#N)c3[O-])C[C@H]21 ZINC001193646239 923838381 /nfs/dbraw/zinc/83/83/81/923838381.db2.gz FPZCKUAPFMHXPD-GXTWGEPZSA-N -1 3 285.347 1.430 20 30 CDEDHM N#C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(Cl)[n-]c1=O ZINC001195132630 924478068 /nfs/dbraw/zinc/47/80/68/924478068.db2.gz AGFMWZNBEURIOK-BQBZGAKWSA-N -1 3 269.663 1.517 20 30 CDEDHM CC[C@](C)(C#N)NS(=O)(=O)c1ccc([O-])cc1 ZINC001195825454 924748538 /nfs/dbraw/zinc/74/85/38/924748538.db2.gz SLXYRFZPUCYRKX-LLVKDONJSA-N -1 3 254.311 1.363 20 30 CDEDHM C=CCOC[C@@H](NCc1cnn(C(C)C)c1)C(=O)[O-] ZINC001119536218 925363470 /nfs/dbraw/zinc/36/34/70/925363470.db2.gz INHGOHRBKOGWHA-GFCCVEGCSA-N -1 3 267.329 1.209 20 30 CDEDHM N#Cc1cc(NC(=O)COc2cccnc2)ccc1[O-] ZINC001142308954 937004232 /nfs/dbraw/zinc/00/42/32/937004232.db2.gz QGOTZSVMOHLAOW-UHFFFAOYSA-N -1 3 269.260 1.676 20 30 CDEDHM CNc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(=O)[nH]1 ZINC001199199524 925632678 /nfs/dbraw/zinc/63/26/78/925632678.db2.gz WHLHABSIHOLLPL-UHFFFAOYSA-N -1 3 284.275 1.658 20 30 CDEDHM N#Cc1cc(NC(=O)c2ccc(O)c(=O)[nH]2)ccc1[O-] ZINC001199199526 925633595 /nfs/dbraw/zinc/63/35/95/925633595.db2.gz WJCXPIGUPDXDEI-UHFFFAOYSA-N -1 3 271.232 1.322 20 30 CDEDHM CN(C)c1ccncc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001199349316 925683085 /nfs/dbraw/zinc/68/30/85/925683085.db2.gz GBDDCEQWVRJVML-UHFFFAOYSA-N -1 3 299.334 1.587 20 30 CDEDHM C#CCCN(CCOC)Cc1nc(CC)cc(=O)[n-]1 ZINC000852751040 927862322 /nfs/dbraw/zinc/86/23/22/927862322.db2.gz NNCFFUIUFFJOFY-UHFFFAOYSA-N -1 3 263.341 1.216 20 30 CDEDHM N#Cc1cnc(Cl)cc1NCCCc1c[n-][nH]c1=O ZINC001156277981 927895314 /nfs/dbraw/zinc/89/53/14/927895314.db2.gz LEGUHCNNEIYPHZ-QMMMGPOBSA-N -1 3 277.715 1.531 20 30 CDEDHM C=CCCC(=O)N[C@H](C)CCCCNCc1n[nH]c(=O)[n-]1 ZINC001169706063 928361640 /nfs/dbraw/zinc/36/16/40/928361640.db2.gz PTUHVVNDYRBKFC-LLVKDONJSA-N -1 3 295.387 1.241 20 30 CDEDHM C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001095316909 929284625 /nfs/dbraw/zinc/28/46/25/929284625.db2.gz XNAHZXMAIKHZKZ-WOPDTQHZSA-N -1 3 290.367 1.335 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000119042112 929463646 /nfs/dbraw/zinc/46/36/46/929463646.db2.gz MQRWBTUJTXMDHA-VIFPVBQESA-N -1 3 276.292 1.743 20 30 CDEDHM Cc1ncc(CO)c(/C=N/[C@H](C)[C@@H]2CCOC2)c1[O-] ZINC000798343756 937353776 /nfs/dbraw/zinc/35/37/76/937353776.db2.gz PHRVJYNFLCIXKL-OFJSJLOZSA-N -1 3 264.325 1.432 20 30 CDEDHM C=CCNC(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001202569117 930312194 /nfs/dbraw/zinc/31/21/94/930312194.db2.gz SGOYTEZDSMDUGM-JTQLQIEISA-N -1 3 297.355 1.398 20 30 CDEDHM CCCCCCCC(=O)N[C@H]1CCCN([O-])C1=O ZINC000816756760 930359063 /nfs/dbraw/zinc/35/90/63/930359063.db2.gz DSUXSLWYQFMNRN-NSHDSACASA-N -1 3 256.346 1.843 20 30 CDEDHM O=C(CCc1ccccc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000816758386 930360591 /nfs/dbraw/zinc/36/05/91/930360591.db2.gz OHWFXRJQSCWSPR-GFCCVEGCSA-N -1 3 296.754 1.769 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(Cc2ccccc2)CC1 ZINC000816758382 930360920 /nfs/dbraw/zinc/36/09/20/930360920.db2.gz OGEGRNOBHFEXTA-CYBMUJFWSA-N -1 3 288.347 1.506 20 30 CDEDHM NC(=NC(=O)c1[n-]nc2cccnc21)c1ccc(F)cn1 ZINC001153166565 937425048 /nfs/dbraw/zinc/42/50/48/937425048.db2.gz AKZSVWNGAQKWNA-UHFFFAOYSA-N -1 3 284.254 1.038 20 30 CDEDHM CN(C)c1cccc(Cl)c1C=NN1CC(=O)[N-]C1=O ZINC001116413713 937447383 /nfs/dbraw/zinc/44/73/83/937447383.db2.gz GZQDRVALKYKWMS-UHFFFAOYSA-N -1 3 280.715 1.292 20 30 CDEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cncs1 ZINC000819718963 930836571 /nfs/dbraw/zinc/83/65/71/930836571.db2.gz VTCCPLJEJFCWGQ-UHFFFAOYSA-N -1 3 271.309 1.769 20 30 CDEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cncs1 ZINC000819718963 930836578 /nfs/dbraw/zinc/83/65/78/930836578.db2.gz VTCCPLJEJFCWGQ-UHFFFAOYSA-N -1 3 271.309 1.769 20 30 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N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000614298332 348064131 /nfs/dbraw/zinc/06/41/31/348064131.db2.gz UATZYNMPKZITQU-GFCCVEGCSA-N -1 3 271.320 1.230 20 30 CDEDHM N#Cc1cnccc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000614409915 348102832 /nfs/dbraw/zinc/10/28/32/348102832.db2.gz KBMCICDQPNSSHD-UHFFFAOYSA-N -1 3 254.249 1.493 20 30 CDEDHM C=C[C@@](C)(CC)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614915324 348271021 /nfs/dbraw/zinc/27/10/21/348271021.db2.gz OCANQDPZEBVJGQ-ZDUSSCGKSA-N -1 3 251.330 1.361 20 30 CDEDHM COc1cc(C(=O)N2CC[C@@](F)(C#N)C2)cc(OC)c1[O-] ZINC000615826253 348812853 /nfs/dbraw/zinc/81/28/53/348812853.db2.gz RCMQEOSLEKHTCU-CQSZACIVSA-N -1 3 294.282 1.487 20 30 CDEDHM N#Cc1cncc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c1 ZINC000311617910 350700168 /nfs/dbraw/zinc/70/01/68/350700168.db2.gz HALSEBLKGHKSDL-SECBINFHSA-N -1 3 287.291 1.419 20 30 CDEDHM C=CCCC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000154929397 188170789 /nfs/dbraw/zinc/17/07/89/188170789.db2.gz DMTSQNTUQXKRFR-UHFFFAOYSA-N -1 3 288.394 1.109 20 30 CDEDHM C=CCCS(=O)(=O)[N-][C@@H](C)C(=O)OC(C)(C)C ZINC000157055447 188294689 /nfs/dbraw/zinc/29/46/89/188294689.db2.gz OUBUEKWEFXFWMB-VIFPVBQESA-N -1 3 263.359 1.212 20 30 CDEDHM C#Cc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000063156912 363233505 /nfs/dbraw/zinc/23/35/05/363233505.db2.gz XPHSFBQCOONKNO-CYBMUJFWSA-N -1 3 265.334 1.589 20 30 CDEDHM C=CCCO[C@@H](C)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636115638 363547652 /nfs/dbraw/zinc/54/76/52/363547652.db2.gz QUWKEHLYPPLHIF-NSHDSACASA-N -1 3 293.367 1.823 20 30 CDEDHM CCN(C[C@H](C)C#N)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000608985188 356801367 /nfs/dbraw/zinc/80/13/67/356801367.db2.gz KVBCDTGGTOSGAA-LLVKDONJSA-N -1 3 289.335 1.130 20 30 CDEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000054178954 357313284 /nfs/dbraw/zinc/31/32/84/357313284.db2.gz TWJNSFRFNRGNQR-QMMMGPOBSA-N -1 3 273.745 1.706 20 30 CDEDHM COCCS(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000182008489 357398180 /nfs/dbraw/zinc/39/81/80/357398180.db2.gz NANGCSATINWCKZ-QWRGUYRKSA-N -1 3 260.359 1.025 20 30 CDEDHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cccnc1C#N ZINC000393557342 357603558 /nfs/dbraw/zinc/60/35/58/357603558.db2.gz QYOXKUPHWISTCN-UHFFFAOYSA-N -1 3 297.380 1.029 20 30 CDEDHM C#CCSCCNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270817729 359412480 /nfs/dbraw/zinc/41/24/80/359412480.db2.gz PTBAPAGDPNWUQT-UHFFFAOYSA-N -1 3 295.360 1.506 20 30 CDEDHM C#CCCCN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000271057383 359420465 /nfs/dbraw/zinc/42/04/65/359420465.db2.gz RMOZVJGWRBCLDI-UHFFFAOYSA-N -1 3 272.348 1.563 20 30 CDEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000270015361 359383349 /nfs/dbraw/zinc/38/33/49/359383349.db2.gz VHHOCZVVSWMAIN-UHFFFAOYSA-N -1 3 293.728 1.405 20 30 CDEDHM CC(C)(CO)ON=C([O-])Nc1ccc(C#N)c(F)c1 ZINC000297247777 200124682 /nfs/dbraw/zinc/12/46/82/200124682.db2.gz BOCUOPLTTXMVJR-UHFFFAOYSA-N -1 3 267.260 1.521 20 30 CDEDHM CC(C)(CO)O[N-]C(=O)Nc1ccc(C#N)c(F)c1 ZINC000297247777 200124684 /nfs/dbraw/zinc/12/46/84/200124684.db2.gz BOCUOPLTTXMVJR-UHFFFAOYSA-N -1 3 267.260 1.521 20 30 CDEDHM C=CC[C@H](C)NC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000348477362 360091657 /nfs/dbraw/zinc/09/16/57/360091657.db2.gz JNJSNRZEDRQPDY-VIFPVBQESA-N -1 3 283.353 1.148 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1NCc1nc(CC)cc(=O)[n-]1 ZINC000514841215 360392942 /nfs/dbraw/zinc/39/29/42/360392942.db2.gz QMQNGPMJTFCFHY-NEPJUHHUSA-N -1 3 263.341 1.568 20 30 CDEDHM C=CCC[C@@H](CO)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000515433726 360498220 /nfs/dbraw/zinc/49/82/20/360498220.db2.gz YZFFUQGPGGJALV-JTQLQIEISA-N -1 3 277.324 1.117 20 30 CDEDHM Cn1ncc2c1ncc(C(=O)NCC1(CC#N)CC1)c2[O-] ZINC000435960062 361458616 /nfs/dbraw/zinc/45/86/16/361458616.db2.gz PJLZAGAFROXMBQ-UHFFFAOYSA-N -1 3 285.307 1.098 20 30 CDEDHM C=C[C@@](C)(CCOC)C(=O)NCc1cnc(C)[n-]c1=O ZINC000438450352 361732296 /nfs/dbraw/zinc/73/22/96/361732296.db2.gz OGUHPEFZTCEGLH-AWEZNQCLSA-N -1 3 279.340 1.336 20 30 CDEDHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000416549089 242046867 /nfs/dbraw/zinc/04/68/67/242046867.db2.gz OBOQNVTYYJLUDT-VHSXEESVSA-N -1 3 265.338 1.276 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC23CCOCC3)s1 ZINC000387229540 367763659 /nfs/dbraw/zinc/76/36/59/367763659.db2.gz IFEDYSGFYBQLIU-JTQLQIEISA-N -1 3 298.389 1.467 20 30 CDEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000539221945 368406389 /nfs/dbraw/zinc/40/63/89/368406389.db2.gz GSUULLDRNUVQTA-NSHDSACASA-N -1 3 298.339 1.160 20 30 CDEDHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(C#N)s2)c1 ZINC000420706277 244336516 /nfs/dbraw/zinc/33/65/16/244336516.db2.gz PMSVTTSVDKWCGQ-UHFFFAOYSA-N -1 3 296.377 1.315 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(CO)CCC2)s1 ZINC000331889912 204265236 /nfs/dbraw/zinc/26/52/36/204265236.db2.gz ABMRCKCWSGVNJF-UHFFFAOYSA-N -1 3 286.378 1.061 20 30 CDEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000180849096 372448497 /nfs/dbraw/zinc/44/84/97/372448497.db2.gz TWTYWZFGYNVARE-JTQLQIEISA-N -1 3 271.386 1.752 20 30 CDEDHM CCOc1ccc(C#N)cc1NC([O-])=NOC(C)(C)CO ZINC000296264598 373809502 /nfs/dbraw/zinc/80/95/02/373809502.db2.gz AYYUDVKFULHPGR-UHFFFAOYSA-N -1 3 293.323 1.781 20 30 CDEDHM CCOc1ccc(C#N)cc1NC(=O)[N-]OC(C)(C)CO ZINC000296264598 373809506 /nfs/dbraw/zinc/80/95/06/373809506.db2.gz AYYUDVKFULHPGR-UHFFFAOYSA-N -1 3 293.323 1.781 20 30 CDEDHM N#Cc1cncc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c1 ZINC000352892981 374379375 /nfs/dbraw/zinc/37/93/75/374379375.db2.gz MYFYLRPWFHVGKZ-UHFFFAOYSA-N -1 3 287.291 1.277 20 30 CDEDHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cccnc1C#N ZINC000277240935 374778535 /nfs/dbraw/zinc/77/85/35/374778535.db2.gz UONPXNPLHCQZFQ-SNVBAGLBSA-N -1 3 297.380 1.029 20 30 CDEDHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cccnc2C#N)CCO1 ZINC000331135226 374894048 /nfs/dbraw/zinc/89/40/48/374894048.db2.gz FEMAQKMJILEHAY-WDEREUQCSA-N -1 3 295.364 1.047 20 30 CDEDHM CSC1(C[N-]S(=O)(=O)c2cccnc2C#N)CC1 ZINC000228067050 375683680 /nfs/dbraw/zinc/68/36/80/375683680.db2.gz LTLHQDVOFRCMCR-UHFFFAOYSA-N -1 3 283.378 1.127 20 30 CDEDHM Cc1cncc(C[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000428389167 247292511 /nfs/dbraw/zinc/29/25/11/247292511.db2.gz KVOVYKCQZJZZNC-UHFFFAOYSA-N -1 3 288.332 1.135 20 30 CDEDHM CCn1cc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)cn1 ZINC000295416627 376008218 /nfs/dbraw/zinc/00/82/18/376008218.db2.gz USOKTDZZKBDKNJ-VIFPVBQESA-N -1 3 294.336 1.407 20 30 CDEDHM C=CCCOCC[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000163384546 377561132 /nfs/dbraw/zinc/56/11/32/377561132.db2.gz OUYCTDBJUVOFSI-UHFFFAOYSA-N -1 3 290.772 1.606 20 30 CDEDHM CCCCN(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000288277193 197042615 /nfs/dbraw/zinc/04/26/15/197042615.db2.gz BRERMVZVWKQAJO-NSHDSACASA-N -1 3 299.396 1.550 20 30 CDEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccc(C#N)cc1 ZINC000491850205 253104907 /nfs/dbraw/zinc/10/49/07/253104907.db2.gz UIUGJBBAZWNKQI-AFNCTOJWSA-N -1 3 296.330 1.200 20 30 CDEDHM C=CC[C@H](C)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000116987776 260019987 /nfs/dbraw/zinc/01/99/87/260019987.db2.gz DYUZEKXWBNOSTM-LBPRGKRZSA-N -1 3 290.363 1.901 20 30 CDEDHM CN(C)[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188426304 390958143 /nfs/dbraw/zinc/95/81/43/390958143.db2.gz PYANVXWSLIDZFV-ZDUSSCGKSA-N -1 3 273.336 1.430 20 30 CDEDHM N#CCCCN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000174672009 391125456 /nfs/dbraw/zinc/12/54/56/391125456.db2.gz GQBCYHRNOLIVIW-UHFFFAOYSA-N -1 3 273.336 1.454 20 30 CDEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCCOCC1 ZINC000183390688 391212612 /nfs/dbraw/zinc/21/26/12/391212612.db2.gz XTOLYHLJZKPLLQ-GFCCVEGCSA-N -1 3 298.339 1.545 20 30 CDEDHM CCCC(O)(CCC)C[N-]S(=O)(=O)[C@H](C)C#N ZINC000416453348 391308967 /nfs/dbraw/zinc/30/89/67/391308967.db2.gz CTTPUIPQSPYYJX-SNVBAGLBSA-N -1 3 262.375 1.149 20 30 CDEDHM C=C(C)[C@@H]1OCC[C@H]1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352982554 391319372 /nfs/dbraw/zinc/31/93/72/391319372.db2.gz CQVXEXRTAJIYHC-OSMZGAPFSA-N -1 3 291.351 1.603 20 30 CDEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C)C#N)c1 ZINC000346432614 391354197 /nfs/dbraw/zinc/35/41/97/391354197.db2.gz LHZVJJQOWPYJGQ-VIFPVBQESA-N -1 3 281.337 1.465 20 30 CDEDHM C=CCC[C@@H](CO)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412402736 391617341 /nfs/dbraw/zinc/61/73/41/391617341.db2.gz OCWDHHNZJJEFKF-LBPRGKRZSA-N -1 3 277.320 1.652 20 30 CDEDHM C=CCOCC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000359356198 391591138 /nfs/dbraw/zinc/59/11/38/391591138.db2.gz JNZCHSVNEHLIET-UHFFFAOYSA-N -1 3 298.364 1.508 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCF ZINC000437681875 391665629 /nfs/dbraw/zinc/66/56/29/391665629.db2.gz RDCCAOQEBUEIBI-UHFFFAOYSA-N -1 3 265.288 1.294 20 30 CDEDHM CC1=CCN(CCNC(=O)c2ncccc2[O-])CC1 ZINC000329100898 391751591 /nfs/dbraw/zinc/75/15/91/391751591.db2.gz MSYVXEXNXCNKFP-UHFFFAOYSA-N -1 3 261.325 1.744 20 30 CDEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC#N)cc1C ZINC000037714374 391805054 /nfs/dbraw/zinc/80/50/54/391805054.db2.gz WBQNOGRAFSJSQE-UHFFFAOYSA-N -1 3 269.282 1.014 20 30 CDEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157682124 392374789 /nfs/dbraw/zinc/37/47/89/392374789.db2.gz VKVGLGOAHSCDTE-SECBINFHSA-N -1 3 295.320 1.709 20 30 CDEDHM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000645882380 392458312 /nfs/dbraw/zinc/45/83/12/392458312.db2.gz MPYADMMAFQVUEM-QMMMGPOBSA-N -1 3 293.797 1.454 20 30 CDEDHM COc1cc(CN[C@]2(C(=O)[O-])CCSC2)ccc1C#N ZINC000417584536 392871914 /nfs/dbraw/zinc/87/19/14/392871914.db2.gz XYIINKLPBODMMR-CQSZACIVSA-N -1 3 292.360 1.617 20 30 CDEDHM COCC1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000533091650 393081487 /nfs/dbraw/zinc/08/14/87/393081487.db2.gz YSYXRPAQWKMKMM-UHFFFAOYSA-N -1 3 284.312 1.155 20 30 CDEDHM C[C@@H](C(=O)[O-])N1CCN(c2cccc(F)c2C#N)CC1 ZINC000083662464 135030711 /nfs/dbraw/zinc/03/07/11/135030711.db2.gz IJPDQWBOONYXTL-JTQLQIEISA-N -1 3 277.299 1.292 20 30 CDEDHM Cc1csc([N-]C(=O)c2ccnc3c2nnn3C)c1C#N ZINC000344886373 152676645 /nfs/dbraw/zinc/67/66/45/152676645.db2.gz DLJFSNBUGFKEJN-UHFFFAOYSA-N -1 3 298.331 1.857 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-]CCN2CCC2)c(Cl)c1 ZINC000355754763 157219227 /nfs/dbraw/zinc/21/92/27/157219227.db2.gz JBZGIQVJBYMSHX-UHFFFAOYSA-N -1 3 299.783 1.196 20 30 CDEDHM CCc1[n-][nH]c(=NC(=O)c2ccnc(C#N)c2)c1C ZINC000359488587 158263487 /nfs/dbraw/zinc/26/34/87/158263487.db2.gz ZDKCSHNBDXAFFM-UHFFFAOYSA-N -1 3 255.281 1.221 20 30 CDEDHM N#Cc1cccc(NCc2nnc(C(F)(F)F)[n-]2)n1 ZINC000359687070 158336406 /nfs/dbraw/zinc/33/64/06/158336406.db2.gz OHRNNEBYCJLHNE-UHFFFAOYSA-N -1 3 268.202 1.702 20 30 CDEDHM N#Cc1cccc(NCc2n[n-]c(C(F)(F)F)n2)n1 ZINC000359687070 158336410 /nfs/dbraw/zinc/33/64/10/158336410.db2.gz OHRNNEBYCJLHNE-UHFFFAOYSA-N -1 3 268.202 1.702 20 30 CDEDHM N#Cc1cccc(NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC000359687070 158336411 /nfs/dbraw/zinc/33/64/11/158336411.db2.gz OHRNNEBYCJLHNE-UHFFFAOYSA-N -1 3 268.202 1.702 20 30 CDEDHM COc1cncc(C(=O)[N-]c2sccc2C#N)n1 ZINC000362476950 159157143 /nfs/dbraw/zinc/15/71/43/159157143.db2.gz PCCBNPQKSGRVLZ-UHFFFAOYSA-N -1 3 260.278 1.671 20 30 CDEDHM C#CC(C)(C)NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588325459 1173025256 /nfs/dbraw/zinc/02/52/56/1173025256.db2.gz LULROFDXSYINRB-UHFFFAOYSA-N -1 3 269.308 1.317 20 30 CDEDHM C#CC(C)(C)NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588325459 1173025261 /nfs/dbraw/zinc/02/52/61/1173025261.db2.gz LULROFDXSYINRB-UHFFFAOYSA-N -1 3 269.308 1.317 20 30 CDEDHM C#C[C@@H]1CCCN(c2cc(C)c(-c3nnn[n-]3)cn2)C1 ZINC001588331748 1173032738 /nfs/dbraw/zinc/03/27/38/1173032738.db2.gz CYHANIWZZLQTGJ-LLVKDONJSA-N -1 3 268.324 1.420 20 30 CDEDHM C#C[C@@H]1CCCN(c2cc(C)c(-c3nn[n-]n3)cn2)C1 ZINC001588331748 1173032746 /nfs/dbraw/zinc/03/27/46/1173032746.db2.gz CYHANIWZZLQTGJ-LLVKDONJSA-N -1 3 268.324 1.420 20 30 CDEDHM C=CC[C@@H]1CCCN(CC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000656759615 413641226 /nfs/dbraw/zinc/64/12/26/413641226.db2.gz IFYKJNAHNBIHON-CYBMUJFWSA-N -1 3 294.395 1.598 20 30 CDEDHM C=C(C)CCC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588419358 1173061533 /nfs/dbraw/zinc/06/15/33/1173061533.db2.gz FXFSJYDJBQAFCV-UHFFFAOYSA-N -1 3 289.314 1.978 20 30 CDEDHM 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PKGAPXRSWYTVMA-SECBINFHSA-N -1 3 284.323 1.969 20 30 CDEDHM CC(C)[C@H](C#N)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735690617 575502405 /nfs/dbraw/zinc/50/24/05/575502405.db2.gz KLEIPXRZMVNWBR-LBPRGKRZSA-N -1 3 284.323 1.074 20 30 CDEDHM CC(C)[C@H](C#N)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735690617 575502406 /nfs/dbraw/zinc/50/24/06/575502406.db2.gz KLEIPXRZMVNWBR-LBPRGKRZSA-N -1 3 284.323 1.074 20 30 CDEDHM C[C@@H](CC#N)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735963708 575540762 /nfs/dbraw/zinc/54/07/62/575540762.db2.gz KKCPQHFHHVHDFF-GFVADAIESA-N -1 3 283.291 1.725 20 30 CDEDHM C[C@@H](CC#N)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735963708 575540764 /nfs/dbraw/zinc/54/07/64/575540764.db2.gz KKCPQHFHHVHDFF-GFVADAIESA-N -1 3 283.291 1.725 20 30 CDEDHM Cc1cc2c(c(F)c1)[N-]C(=O)C2=NNC[C@H](C)C#N ZINC000771097630 575548542 /nfs/dbraw/zinc/54/85/42/575548542.db2.gz ITPNFKWEGSDNTP-MRVPVSSYSA-N -1 3 260.272 1.540 20 30 CDEDHM C[C@H](NC(=O)C1(C#N)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736098764 575571774 /nfs/dbraw/zinc/57/17/74/575571774.db2.gz HGIRLWMFZYHWST-JTQLQIEISA-N -1 3 296.334 1.738 20 30 CDEDHM C[C@H](NC(=O)C1(C#N)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736098764 575571777 /nfs/dbraw/zinc/57/17/77/575571777.db2.gz HGIRLWMFZYHWST-JTQLQIEISA-N -1 3 296.334 1.738 20 30 CDEDHM CC(C)C(=O)NCCN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736347311 575631324 /nfs/dbraw/zinc/63/13/24/575631324.db2.gz SXKWKDMJFMDJNL-CYBMUJFWSA-N -1 3 289.335 1.046 20 30 CDEDHM C=C(Cl)CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000736689701 575722496 /nfs/dbraw/zinc/72/24/96/575722496.db2.gz UYRZZRXZZAEHAF-UHFFFAOYSA-N -1 3 296.754 1.689 20 30 CDEDHM C=CCN(CC=C)C(=O)COC(=O)c1c([O-])cccc1F ZINC000772590772 575726172 /nfs/dbraw/zinc/72/61/72/575726172.db2.gz DOLAKIXHPYDJHG-UHFFFAOYSA-N -1 3 293.294 1.889 20 30 CDEDHM CN(C(=O)COC(=O)c1c([O-])cccc1F)C(C)(C)C#N ZINC000772595451 575726624 /nfs/dbraw/zinc/72/66/24/575726624.db2.gz ZPSOHYRLKQWANZ-UHFFFAOYSA-N -1 3 294.282 1.449 20 30 CDEDHM CNC(=O)C(C)(C)C/N=C/c1c([O-])cccc1OC ZINC000772801965 575754706 /nfs/dbraw/zinc/75/47/06/575754706.db2.gz JMWOMCDPAWNOQN-LZYBPNLTSA-N -1 3 264.325 1.592 20 30 CDEDHM CC(C#N)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000737558980 575991641 /nfs/dbraw/zinc/99/16/41/575991641.db2.gz FFUUZKWZFVQNPD-PWSUYJOCSA-N -1 3 260.293 1.206 20 30 CDEDHM C=C(C)COCC[N-]S(=O)(=O)c1cccc2nonc21 ZINC000765204126 575998091 /nfs/dbraw/zinc/99/80/91/575998091.db2.gz RWVQPXHPQMANNT-UHFFFAOYSA-N -1 3 297.336 1.094 20 30 CDEDHM O=C(C=Cc1ncc[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000737810003 576013624 /nfs/dbraw/zinc/01/36/24/576013624.db2.gz WUERQXIWNQDHMA-PLNGDYQASA-N -1 3 266.264 1.486 20 30 CDEDHM O=C(C=Cc1ncc[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000737810003 576013625 /nfs/dbraw/zinc/01/36/25/576013625.db2.gz WUERQXIWNQDHMA-PLNGDYQASA-N -1 3 266.264 1.486 20 30 CDEDHM C#CCCC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768844455 576312596 /nfs/dbraw/zinc/31/25/96/576312596.db2.gz UASBPNQIUGFQEC-UHFFFAOYSA-N -1 3 274.323 1.348 20 30 CDEDHM C[C@@H](C#N)COC(=O)c1cccc([N-]S(C)(=O)=O)c1 ZINC000759461066 576391689 /nfs/dbraw/zinc/39/16/89/576391689.db2.gz VDAZSBOMHCDGPE-VIFPVBQESA-N -1 3 282.321 1.375 20 30 CDEDHM CC(C)c1ccc(CC=NN2CC(=O)[N-]C2=O)cc1 ZINC000760251158 576469958 /nfs/dbraw/zinc/46/99/58/576469958.db2.gz VOTWKKZGKINJEB-UHFFFAOYSA-N -1 3 259.309 1.890 20 30 CDEDHM CCC(C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448972 576640708 /nfs/dbraw/zinc/64/07/08/576640708.db2.gz JPFCCPNTEDHBMF-UHFFFAOYSA-N -1 3 254.355 1.934 20 30 CDEDHM CCOc1cccc(C=N[N-]c2[nH+]cnc3[n-]cnc32)n1 ZINC000763169913 576718191 /nfs/dbraw/zinc/71/81/91/576718191.db2.gz YPFSRSPQBSQYOT-UHFFFAOYSA-N -1 3 283.295 1.593 20 30 CDEDHM CC(=NN=C1C(=O)Nc2cc([O-])ccc21)c1cnccn1 ZINC000745208504 576721777 /nfs/dbraw/zinc/72/17/77/576721777.db2.gz IJLIHMMPWRRRTO-UHFFFAOYSA-N -1 3 281.275 1.348 20 30 CDEDHM CS(=O)(=O)[N-]N=C1C[C@@H]2CCCc3cccc1c32 ZINC000763357858 576732308 /nfs/dbraw/zinc/73/23/08/576732308.db2.gz JMCOKEBQHPNMEY-JTQLQIEISA-N -1 3 264.350 1.764 20 30 CDEDHM Cc1ncc(CO)c(/C=N/C2CCC(C)(O)CC2)c1[O-] ZINC000749844189 576965597 /nfs/dbraw/zinc/96/55/97/576965597.db2.gz INCHBNLROVVJMJ-CAOOACKPSA-N -1 3 278.352 1.700 20 30 CDEDHM [O-]c1c(O)ccc(C=NNc2ccncc2Cl)c1O ZINC000756842430 577007714 /nfs/dbraw/zinc/00/77/14/577007714.db2.gz RIDWQAJKODOIGO-UHFFFAOYSA-N -1 3 279.683 1.720 20 30 CDEDHM C#CC[C@@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000756843468 577008033 /nfs/dbraw/zinc/00/80/33/577008033.db2.gz GAPCIPMUZOERJL-CYBMUJFWSA-N -1 3 263.304 1.903 20 30 CDEDHM Cc1ncc(CO)c(/C=N/Cc2ncccc2F)c1[O-] ZINC000751517070 577047030 /nfs/dbraw/zinc/04/70/30/577047030.db2.gz GDCAUHMCZSSZQY-OMCISZLKSA-N -1 3 275.283 1.741 20 30 CDEDHM COc1cccc(COC(=O)c2ccc(C#N)[n-]2)n1 ZINC000752515157 577110916 /nfs/dbraw/zinc/11/09/16/577110916.db2.gz NKXYBJQHMXXDBH-UHFFFAOYSA-N -1 3 257.249 1.647 20 30 CDEDHM COC(=O)C[C@@H](/N=C/c1c([O-])c(C)ncc1CO)C1CC1 ZINC000753565336 577177314 /nfs/dbraw/zinc/17/73/14/577177314.db2.gz ZRZLRGZDXSBCPJ-JYINPYMRSA-N -1 3 292.335 1.349 20 30 CDEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000819718320 607253645 /nfs/dbraw/zinc/25/36/45/607253645.db2.gz FUGOSTJJWMMXND-UHFFFAOYSA-N -1 3 279.307 1.385 20 30 CDEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000819718320 607253646 /nfs/dbraw/zinc/25/36/46/607253646.db2.gz FUGOSTJJWMMXND-UHFFFAOYSA-N -1 3 279.307 1.385 20 30 CDEDHM Cc1cn(CCC#N)c(=O)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822384584 607380894 /nfs/dbraw/zinc/38/08/94/607380894.db2.gz OAWMEOYLHVOGCA-UHFFFAOYSA-N -1 3 295.306 1.041 20 30 CDEDHM Cc1cn(CCC#N)c(=O)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822384584 607380896 /nfs/dbraw/zinc/38/08/96/607380896.db2.gz OAWMEOYLHVOGCA-UHFFFAOYSA-N -1 3 295.306 1.041 20 30 CDEDHM C=C(C)CN(CC)C(=O)CN(CCC(=O)[O-])C(C)C ZINC000037596160 600222367 /nfs/dbraw/zinc/22/23/67/600222367.db2.gz MIFRFLGCHBELKJ-UHFFFAOYSA-N -1 3 270.373 1.596 20 30 CDEDHM Cn1cccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833059783 601307134 /nfs/dbraw/zinc/30/71/34/601307134.db2.gz XEJWHWYDPLDLKQ-AWEZNQCLSA-N -1 3 269.304 1.812 20 30 CDEDHM CC#CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823937154 608099001 /nfs/dbraw/zinc/09/90/01/608099001.db2.gz KKZJUJNHBMTMBG-UHFFFAOYSA-N -1 3 256.269 1.012 20 30 CDEDHM CC#CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823937154 608099002 /nfs/dbraw/zinc/09/90/02/608099002.db2.gz KKZJUJNHBMTMBG-UHFFFAOYSA-N -1 3 256.269 1.012 20 30 CDEDHM C#CCC1(O)CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC001602700198 1175365747 /nfs/dbraw/zinc/36/57/47/1175365747.db2.gz UAKCYBPGGHBXCT-UHFFFAOYSA-N -1 3 279.361 1.797 20 30 CDEDHM C#CCCNC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001602712071 1175368668 /nfs/dbraw/zinc/36/86/68/1175368668.db2.gz CZLXHUKZPWALNY-UHFFFAOYSA-N -1 3 283.335 1.166 20 30 CDEDHM C#CCCNC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001602712071 1175368673 /nfs/dbraw/zinc/36/86/73/1175368673.db2.gz CZLXHUKZPWALNY-UHFFFAOYSA-N -1 3 283.335 1.166 20 30 CDEDHM C=C(C)C[C@@H](CO)Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001602754008 1175386742 /nfs/dbraw/zinc/38/67/42/1175386742.db2.gz WYKLVUMJQBPJQN-JTQLQIEISA-N -1 3 277.303 1.745 20 30 CDEDHM C=C(C)C[C@@H](CO)Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001602754008 1175386747 /nfs/dbraw/zinc/38/67/47/1175386747.db2.gz WYKLVUMJQBPJQN-JTQLQIEISA-N -1 3 277.303 1.745 20 30 CDEDHM CCN(CCC#N)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821207358 606151930 /nfs/dbraw/zinc/15/19/30/606151930.db2.gz MCSHHRPODROVPL-UHFFFAOYSA-N -1 3 299.338 1.943 20 30 CDEDHM CCN(CCC#N)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821207358 606151931 /nfs/dbraw/zinc/15/19/31/606151931.db2.gz MCSHHRPODROVPL-UHFFFAOYSA-N -1 3 299.338 1.943 20 30 CDEDHM C=CC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000819729097 606272013 /nfs/dbraw/zinc/27/20/13/606272013.db2.gz CANZLDZUONKSJL-UHFFFAOYSA-N -1 3 272.312 1.233 20 30 CDEDHM C=CC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000819729097 606272014 /nfs/dbraw/zinc/27/20/14/606272014.db2.gz CANZLDZUONKSJL-UHFFFAOYSA-N -1 3 272.312 1.233 20 30 CDEDHM Cc1nnc(C)n1N=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822509680 606368923 /nfs/dbraw/zinc/36/89/23/606368923.db2.gz CKXNBJQBWNCEGC-UHFFFAOYSA-N -1 3 274.313 1.019 20 30 CDEDHM CCCCNN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821072110 606370092 /nfs/dbraw/zinc/37/00/92/606370092.db2.gz QWXKABZFSKAVQJ-UHFFFAOYSA-N -1 3 250.331 1.652 20 30 CDEDHM N#CCCN(CCC#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822810212 606641223 /nfs/dbraw/zinc/64/12/23/606641223.db2.gz DMLUFKOSVIXDHL-UHFFFAOYSA-N -1 3 281.323 1.496 20 30 CDEDHM N#CCCN(CCC#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822810212 606641224 /nfs/dbraw/zinc/64/12/24/606641224.db2.gz DMLUFKOSVIXDHL-UHFFFAOYSA-N -1 3 281.323 1.496 20 30 CDEDHM N#Cc1nccn1CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822846238 606655459 /nfs/dbraw/zinc/65/54/59/606655459.db2.gz RFHLYIJAHTXUIF-UHFFFAOYSA-N -1 3 281.279 1.014 20 30 CDEDHM C=C[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001602799089 1175406459 /nfs/dbraw/zinc/40/64/59/1175406459.db2.gz XLRAPNSABBNIJJ-SECBINFHSA-N -1 3 293.352 1.028 20 30 CDEDHM C=C[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001602799089 1175406464 /nfs/dbraw/zinc/40/64/64/1175406464.db2.gz XLRAPNSABBNIJJ-SECBINFHSA-N -1 3 293.352 1.028 20 30 CDEDHM C=CCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819739873 606748395 /nfs/dbraw/zinc/74/83/95/606748395.db2.gz JSPBEHIAQPJMOD-UHFFFAOYSA-N -1 3 280.309 1.151 20 30 CDEDHM C=CCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819739873 606748397 /nfs/dbraw/zinc/74/83/97/606748397.db2.gz JSPBEHIAQPJMOD-UHFFFAOYSA-N -1 3 280.309 1.151 20 30 CDEDHM C=C[C@H](Sc1ccc(C)cc1-c1nnn[n-]1)C(=O)OC ZINC001602803861 1175405092 /nfs/dbraw/zinc/40/50/92/1175405092.db2.gz QIBBAURBORZADE-JTQLQIEISA-N -1 3 290.348 1.995 20 30 CDEDHM C=C[C@H](Sc1ccc(C)cc1-c1nn[n-]n1)C(=O)OC ZINC001602803861 1175405099 /nfs/dbraw/zinc/40/50/99/1175405099.db2.gz QIBBAURBORZADE-JTQLQIEISA-N -1 3 290.348 1.995 20 30 CDEDHM C#CCCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819692360 606947276 /nfs/dbraw/zinc/94/72/76/606947276.db2.gz DOXUFFADJJEAMH-UHFFFAOYSA-N -1 3 286.295 1.990 20 30 CDEDHM C#CCCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819692360 606947278 /nfs/dbraw/zinc/94/72/78/606947278.db2.gz DOXUFFADJJEAMH-UHFFFAOYSA-N -1 3 286.295 1.990 20 30 CDEDHM FC(F)(F)CON=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822718919 606995891 /nfs/dbraw/zinc/99/58/91/606995891.db2.gz VDEPKGFFRUCZHI-UHFFFAOYSA-N -1 3 277.231 1.841 20 30 CDEDHM CCn1nccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825806696 607807772 /nfs/dbraw/zinc/80/77/72/607807772.db2.gz ABFOPAZVHJGWGQ-VOTSOKGWSA-N -1 3 294.318 1.979 20 30 CDEDHM CCn1nccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825806696 607807773 /nfs/dbraw/zinc/80/77/73/607807773.db2.gz ABFOPAZVHJGWGQ-VOTSOKGWSA-N -1 3 294.318 1.979 20 30 CDEDHM CC[C@H](C#N)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825038402 607980979 /nfs/dbraw/zinc/98/09/79/607980979.db2.gz AWIGWSGERWUIKB-SSDOTTSWSA-N -1 3 292.249 1.177 20 30 CDEDHM CC[C@H](C#N)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825038402 607980980 /nfs/dbraw/zinc/98/09/80/607980980.db2.gz AWIGWSGERWUIKB-SSDOTTSWSA-N -1 3 292.249 1.177 20 30 CDEDHM C=C(CC)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000823877602 608320270 /nfs/dbraw/zinc/32/02/70/608320270.db2.gz ARZJCNQTVXOKMZ-UHFFFAOYSA-N -1 3 261.285 1.328 20 30 CDEDHM C=C(CC)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000823877602 608320272 /nfs/dbraw/zinc/32/02/72/608320272.db2.gz ARZJCNQTVXOKMZ-UHFFFAOYSA-N -1 3 261.285 1.328 20 30 CDEDHM C=CCN(C)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001602847225 1175432604 /nfs/dbraw/zinc/43/26/04/1175432604.db2.gz LUHVBOUJITWEHN-UHFFFAOYSA-N -1 3 261.260 1.264 20 30 CDEDHM C=CCN(C)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001602847225 1175432610 /nfs/dbraw/zinc/43/26/10/1175432610.db2.gz LUHVBOUJITWEHN-UHFFFAOYSA-N -1 3 261.260 1.264 20 30 CDEDHM Cn1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000826362663 609186918 /nfs/dbraw/zinc/18/69/18/609186918.db2.gz CLNMLFMWKIWJFZ-UHFFFAOYSA-N -1 3 293.290 1.329 20 30 CDEDHM Cn1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000826362663 609186919 /nfs/dbraw/zinc/18/69/19/609186919.db2.gz CLNMLFMWKIWJFZ-UHFFFAOYSA-N -1 3 293.290 1.329 20 30 CDEDHM C=CCNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823926083 609277888 /nfs/dbraw/zinc/27/78/88/609277888.db2.gz YUEIYCOMDKNAOO-UHFFFAOYSA-N -1 3 285.286 1.789 20 30 CDEDHM COC[C@@H](C)NN=C(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826149839 609305964 /nfs/dbraw/zinc/30/59/64/609305964.db2.gz QEPHSZYMSGWYKI-SECBINFHSA-N -1 3 274.328 1.215 20 30 CDEDHM COC[C@@H](C)NN=C(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826149839 609305966 /nfs/dbraw/zinc/30/59/66/609305966.db2.gz QEPHSZYMSGWYKI-SECBINFHSA-N -1 3 274.328 1.215 20 30 CDEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@@H](C)C#N ZINC000826304562 609385056 /nfs/dbraw/zinc/38/50/56/609385056.db2.gz POXUTJTUZLTIFC-VIFPVBQESA-N -1 3 293.334 1.717 20 30 CDEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@@H](C)C#N ZINC000826304562 609385059 /nfs/dbraw/zinc/38/50/59/609385059.db2.gz POXUTJTUZLTIFC-VIFPVBQESA-N -1 3 293.334 1.717 20 30 CDEDHM COc1cccc(N=NCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000826216572 609524113 /nfs/dbraw/zinc/52/41/13/609524113.db2.gz FNQHJZSHSJXJBK-UHFFFAOYSA-N -1 3 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CCc1c[nH]c(CNc2c(C#N)cccc2-c2nnn[n-]2)n1 ZINC001590875171 1173533925 /nfs/dbraw/zinc/53/39/25/1173533925.db2.gz BKVJMUDPWDMGJX-UHFFFAOYSA-N -1 3 294.322 1.636 20 30 CDEDHM CCc1c[nH]c(CNc2c(C#N)cccc2-c2nn[n-]n2)n1 ZINC001590875171 1173533937 /nfs/dbraw/zinc/53/39/37/1173533937.db2.gz BKVJMUDPWDMGJX-UHFFFAOYSA-N -1 3 294.322 1.636 20 30 CDEDHM CCn1nccc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001590969344 1173553159 /nfs/dbraw/zinc/55/31/59/1173553159.db2.gz GHYIVYOURPWPOS-BQYQJAHWSA-N -1 3 294.318 1.979 20 30 CDEDHM CCn1nccc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001590969344 1173553162 /nfs/dbraw/zinc/55/31/62/1173553162.db2.gz GHYIVYOURPWPOS-BQYQJAHWSA-N -1 3 294.318 1.979 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)NCCCCC#N ZINC001591839230 1173712615 /nfs/dbraw/zinc/71/26/15/1173712615.db2.gz LPHKFASSNLUTIM-UHFFFAOYSA-N -1 3 298.350 1.907 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)NCCCCC#N ZINC001591839230 1173712620 /nfs/dbraw/zinc/71/26/20/1173712620.db2.gz LPHKFASSNLUTIM-UHFFFAOYSA-N -1 3 298.350 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C=CC[C@H]1CCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602824259 1175418282 /nfs/dbraw/zinc/41/82/82/1175418282.db2.gz PIEMENMVGSTTEC-ZDUSSCGKSA-N -1 3 283.335 1.586 20 30 CDEDHM C=CCCOCCNc1ccc(-c2nn[n-]n2)cc1CO ZINC001602846767 1175432521 /nfs/dbraw/zinc/43/25/21/1175432521.db2.gz YRWZNRNBUISSDH-UHFFFAOYSA-N -1 3 289.339 1.364 20 30 CDEDHM CC#CCNC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602896246 1175445936 /nfs/dbraw/zinc/44/59/36/1175445936.db2.gz FVLVNBCNNCDEDL-LLVKDONJSA-N -1 3 283.335 1.185 20 30 CDEDHM CC#CCNC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602896246 1175445939 /nfs/dbraw/zinc/44/59/39/1175445939.db2.gz FVLVNBCNNCDEDL-LLVKDONJSA-N -1 3 283.335 1.185 20 30 CDEDHM CC#CCCNC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602894324 1175446985 /nfs/dbraw/zinc/44/69/85/1175446985.db2.gz WFXQCWXYIMGLOB-GFCCVEGCSA-N -1 3 297.362 1.575 20 30 CDEDHM CC#CCCNC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602894324 1175446988 /nfs/dbraw/zinc/44/69/88/1175446988.db2.gz WFXQCWXYIMGLOB-GFCCVEGCSA-N 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CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCC[C@H](C#N)C1 ZINC001588908229 1173112440 /nfs/dbraw/zinc/11/24/40/1173112440.db2.gz UZBNXAWVMKOGKJ-LLVKDONJSA-N -1 3 296.334 1.809 20 30 CDEDHM C[C@@H](CC#N)C(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001589786358 1173178109 /nfs/dbraw/zinc/17/81/09/1173178109.db2.gz HYWXKDLRJVFFQV-JTQLQIEISA-N -1 3 296.334 1.696 20 30 CDEDHM C[C@@H](CC#N)C(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001589786358 1173178113 /nfs/dbraw/zinc/17/81/13/1173178113.db2.gz HYWXKDLRJVFFQV-JTQLQIEISA-N -1 3 296.334 1.696 20 30 CDEDHM C[C@]1(C#N)CN(c2cc(F)ccc2-c2nnn[n-]2)CCO1 ZINC001590056973 1173242214 /nfs/dbraw/zinc/24/22/14/1173242214.db2.gz VFIGINRSEKCGJB-ZDUSSCGKSA-N -1 3 288.286 1.125 20 30 CDEDHM C[C@]1(C#N)CN(c2cc(F)ccc2-c2nn[n-]n2)CCO1 ZINC001590056973 1173242219 /nfs/dbraw/zinc/24/22/19/1173242219.db2.gz VFIGINRSEKCGJB-ZDUSSCGKSA-N -1 3 288.286 1.125 20 30 CDEDHM C[C@]12COC[C@@H]1CN(c1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001590156004 1173274969 /nfs/dbraw/zinc/27/49/69/1173274969.db2.gz 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482754987 /nfs/dbraw/zinc/75/49/87/482754987.db2.gz CKUVLJSNWPDNKK-UHFFFAOYSA-N -1 3 289.226 1.591 20 30 CDEDHM N#Cc1cnccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001214004637 1160845899 /nfs/dbraw/zinc/84/58/99/1160845899.db2.gz LPVFCCPFJAPLOX-UHFFFAOYSA-N -1 3 253.265 1.492 20 30 CDEDHM CCc1ncc(F)c([N-]c2c(C#N)cnn2C(=O)OC)n1 ZINC001169965214 1162022080 /nfs/dbraw/zinc/02/20/80/1162022080.db2.gz OJNVLFZUAGDNKQ-UHFFFAOYSA-N -1 3 290.258 1.604 20 30 CDEDHM CCC[C@@](C)([N-]S(=O)(=O)CCCCC#N)C(=O)OC ZINC000068876887 520927276 /nfs/dbraw/zinc/92/72/76/520927276.db2.gz MHCZUPULZXQJNN-GFCCVEGCSA-N -1 3 290.385 1.331 20 30 CDEDHM N#CC1(CS(=O)(=O)[N-]C[C@@H](O)C2CCC2)CCCC1 ZINC000333704382 534560134 /nfs/dbraw/zinc/56/01/34/534560134.db2.gz OTFIRDRTDASJFZ-GFCCVEGCSA-N -1 3 286.397 1.151 20 30 CDEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000167006501 527031740 /nfs/dbraw/zinc/03/17/40/527031740.db2.gz XHKRBLALHNHWDT-MRVPVSSYSA-N -1 3 287.337 1.618 20 30 CDEDHM C[C@H](C#N)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000725993004 574478638 /nfs/dbraw/zinc/47/86/38/574478638.db2.gz HWFQPPVWSCXWGL-SSDOTTSWSA-N -1 3 286.284 1.266 20 30 CDEDHM N#CCN1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737696201 574494647 /nfs/dbraw/zinc/49/46/47/574494647.db2.gz OTXHPQBLYSXSKZ-UHFFFAOYSA-N -1 3 284.323 1.233 20 30 CDEDHM N#CCN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737696201 574494649 /nfs/dbraw/zinc/49/46/49/574494649.db2.gz OTXHPQBLYSXSKZ-UHFFFAOYSA-N -1 3 284.323 1.233 20 30 CDEDHM COc1cc(C=NN[C@H](C)CO)cc(Cl)c1[O-] ZINC000749814341 574547785 /nfs/dbraw/zinc/54/77/85/574547785.db2.gz NJLAWBBEBYFMIE-SSDOTTSWSA-N -1 3 258.705 1.359 20 30 CDEDHM N#CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000737693241 574819939 /nfs/dbraw/zinc/81/99/39/574819939.db2.gz MUQRICYWZHPHDG-UHFFFAOYSA-N -1 3 296.334 1.775 20 30 CDEDHM N#CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000737693241 574819940 /nfs/dbraw/zinc/81/99/40/574819940.db2.gz MUQRICYWZHPHDG-UHFFFAOYSA-N -1 3 296.334 1.775 20 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COC[C@H](OC(=O)c1ccc(C#N)[n-]1)c1nccs1 ZINC000774684243 575227548 /nfs/dbraw/zinc/22/75/48/575227548.db2.gz WYVISUIPJJEMSP-JTQLQIEISA-N -1 3 277.305 1.887 20 30 CDEDHM C=C(Cl)CNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735402169 575464714 /nfs/dbraw/zinc/46/47/14/575464714.db2.gz KUACBSZHSSTZRE-UHFFFAOYSA-N -1 3 293.714 1.114 20 30 CDEDHM C=C(Cl)CNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735402169 575464717 /nfs/dbraw/zinc/46/47/17/575464717.db2.gz KUACBSZHSSTZRE-UHFFFAOYSA-N -1 3 293.714 1.114 20 30 CDEDHM C=C1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402447 575464729 /nfs/dbraw/zinc/46/47/29/575464729.db2.gz AZTKSUQDTRRIJA-UHFFFAOYSA-N -1 3 298.350 1.457 20 30 CDEDHM C=C1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735402447 575464731 /nfs/dbraw/zinc/46/47/31/575464731.db2.gz AZTKSUQDTRRIJA-UHFFFAOYSA-N -1 3 298.350 1.457 20 30 CDEDHM C=CCCCOC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000735534172 575477452 /nfs/dbraw/zinc/47/74/52/575477452.db2.gz OYGVGCPIJDWMMG-UHFFFAOYSA-N -1 3 259.261 1.693 20 30 CDEDHM Cn1ccnc(N=NCc2cc(F)ccc2[O-])c1=O ZINC000755755783 575495733 /nfs/dbraw/zinc/49/57/33/575495733.db2.gz OQGQCORLSROVCU-UHFFFAOYSA-N -1 3 262.244 1.071 20 30 CDEDHM Cn1ccnc(NN=Cc2cc(F)ccc2[O-])c1=O ZINC000755755783 575495737 /nfs/dbraw/zinc/49/57/37/575495737.db2.gz OQGQCORLSROVCU-UHFFFAOYSA-N -1 3 262.244 1.071 20 30 CDEDHM C=C[C@@H](CC)OC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000770909075 575516550 /nfs/dbraw/zinc/51/65/50/575516550.db2.gz OFQXDEJXACSLLA-JTQLQIEISA-N -1 3 284.337 1.111 20 30 CDEDHM Cc1cc2c(c(F)c1)[N-]C(=O)C2=NNC[C@@H](C)C#N ZINC000771097631 575548699 /nfs/dbraw/zinc/54/86/99/575548699.db2.gz ITPNFKWEGSDNTP-QMMMGPOBSA-N -1 3 260.272 1.540 20 30 CDEDHM O=c1nc(C=N[O-])ccn1CCOc1ccccc1 ZINC000736302775 575615927 /nfs/dbraw/zinc/61/59/27/575615927.db2.gz QISOVTRBYPAMQN-UHFFFAOYSA-N -1 3 259.265 1.130 20 30 CDEDHM C[C@H](CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1)C(=O)[O-] ZINC000736571595 575693181 /nfs/dbraw/zinc/69/31/81/575693181.db2.gz LFYHFYWZSVTTPA-GHMZBOCLSA-N -1 3 289.335 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258.730 1.540 20 30 CDEDHM N#Cc1ccc(C(=O)O[C@@H]2CCOC3(CCOCC3)C2)[n-]1 ZINC000765682431 576049613 /nfs/dbraw/zinc/04/96/13/576049613.db2.gz XGIFKXBLDRPJQQ-GFCCVEGCSA-N -1 3 290.319 1.771 20 30 CDEDHM Cc1cnn(CCN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738813970 576117832 /nfs/dbraw/zinc/11/78/32/576117832.db2.gz JGDDKOCUHHVMRZ-CQSZACIVSA-N -1 3 284.319 1.479 20 30 CDEDHM CC(=NN[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000767005161 576152918 /nfs/dbraw/zinc/15/29/18/576152918.db2.gz XWTSVGYMENIGOE-LLVKDONJSA-N -1 3 282.365 1.201 20 30 CDEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768892440 576316285 /nfs/dbraw/zinc/31/62/85/576316285.db2.gz SUAOAYAMKCBOEF-UHFFFAOYSA-N -1 3 289.338 1.484 20 30 CDEDHM Cc1cc2c(c(F)c1)[N-]C(=O)C2=NNc1cnn(C)c1 ZINC000761880546 576602789 /nfs/dbraw/zinc/60/27/89/576602789.db2.gz FFQVBEIOYPNOMT-UHFFFAOYSA-N -1 3 273.271 1.636 20 30 CDEDHM COCC#CCOC(=O)c1cccc(Br)c1[O-] ZINC000762821578 576676848 /nfs/dbraw/zinc/67/68/48/576676848.db2.gz 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NC(=O)[C@@H]1CC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904178154 626211641 /nfs/dbraw/zinc/21/16/41/626211641.db2.gz ZXNDECVGVPCZLV-MNOVXSKESA-N -1 3 266.272 1.055 20 30 CDEDHM C#C[C@@H](NC(=O)c1c([O-])cccc1OC)[C@@H]1CCCO1 ZINC000907487967 627687469 /nfs/dbraw/zinc/68/74/69/627687469.db2.gz NSCAJVADZARRDS-PWSUYJOCSA-N -1 3 275.304 1.311 20 30 CDEDHM Cc1nc(C(C)C)ncc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000908402715 628182782 /nfs/dbraw/zinc/18/27/82/628182782.db2.gz IBDVCKLJNAGGMO-NSHDSACASA-N -1 3 292.339 1.018 20 30 CDEDHM C=CCC[C@@H](NC(=O)[C@@H]1CCCN1CCC)C(=O)[O-] ZINC000909716152 628632232 /nfs/dbraw/zinc/63/22/32/628632232.db2.gz PWUSCSVZZQLXAM-NEPJUHHUSA-N -1 3 268.357 1.396 20 30 CDEDHM C#CCSCC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000911809152 629540738 /nfs/dbraw/zinc/54/07/38/629540738.db2.gz JTJIYELWCZIJJR-UHFFFAOYSA-N -1 3 279.365 1.208 20 30 CDEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1cnc(C#N)cn1 ZINC000736821376 633180525 /nfs/dbraw/zinc/18/05/25/633180525.db2.gz DZBVMZPDZDRRTO-UHFFFAOYSA-N 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/nfs/dbraw/zinc/87/82/08/1163878208.db2.gz JLIPJDLZZTZKCT-UHFFFAOYSA-N -1 3 265.236 1.321 20 30 CDEDHM O[C@@H]1CCCC[C@H]1NN=Cc1ccccc1-c1nnn[n-]1 ZINC001607108251 1164088619 /nfs/dbraw/zinc/08/86/19/1164088619.db2.gz JSJLUCUKOQHNPD-CHWSQXEVSA-N -1 3 286.339 1.094 20 30 CDEDHM O[C@@H]1CCCC[C@H]1NN=Cc1ccccc1-c1nn[n-]n1 ZINC001607108251 1164088627 /nfs/dbraw/zinc/08/86/27/1164088627.db2.gz JSJLUCUKOQHNPD-CHWSQXEVSA-N -1 3 286.339 1.094 20 30 CDEDHM C#CC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001609019759 1164727958 /nfs/dbraw/zinc/72/79/58/1164727958.db2.gz FRLHQFARVWNOHX-UHFFFAOYSA-N -1 3 298.306 1.625 20 30 CDEDHM C=C[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC001609052818 1164745841 /nfs/dbraw/zinc/74/58/41/1164745841.db2.gz QPGFBIGQMSSREZ-SKDRFNHKSA-N -1 3 287.323 1.245 20 30 CDEDHM C=C[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC001609052818 1164745846 /nfs/dbraw/zinc/74/58/46/1164745846.db2.gz QPGFBIGQMSSREZ-SKDRFNHKSA-N -1 3 287.323 1.245 20 30 CDEDHM C[C@H](CC#N)N(C)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001609108080 1164772505 /nfs/dbraw/zinc/77/25/05/1164772505.db2.gz AJCGUFLPEVCFDR-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM C[C@H](CC#N)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001609108080 1164772511 /nfs/dbraw/zinc/77/25/11/1164772511.db2.gz AJCGUFLPEVCFDR-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM CC[C@H](CC#N)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001609187909 1164830715 /nfs/dbraw/zinc/83/07/15/1164830715.db2.gz SJXQQWMMMNJHRC-LLVKDONJSA-N -1 3 286.339 1.657 20 30 CDEDHM CC[C@H](CC#N)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001609187909 1164830721 /nfs/dbraw/zinc/83/07/21/1164830721.db2.gz SJXQQWMMMNJHRC-LLVKDONJSA-N -1 3 286.339 1.657 20 30 CDEDHM CN(Cc1ccccn1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001609280835 1164881453 /nfs/dbraw/zinc/88/14/53/1164881453.db2.gz GMKNOZQTXIWORG-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM CN(Cc1ccccn1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001609280835 1164881457 /nfs/dbraw/zinc/88/14/57/1164881457.db2.gz GMKNOZQTXIWORG-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM Cc1cc(NC(=O)NCC(C)(C)C#N)cc(-c2nnn[n-]2)c1 ZINC001609407526 1164933844 /nfs/dbraw/zinc/93/38/44/1164933844.db2.gz GYHFAFWLPBRJIH-UHFFFAOYSA-N -1 3 299.338 1.846 20 30 CDEDHM Cc1cc(NC(=O)NCC(C)(C)C#N)cc(-c2nn[n-]n2)c1 ZINC001609407526 1164933849 /nfs/dbraw/zinc/93/38/49/1164933849.db2.gz GYHFAFWLPBRJIH-UHFFFAOYSA-N -1 3 299.338 1.846 20 30 CDEDHM N#C[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccccc1 ZINC000063155880 1169104338 /nfs/dbraw/zinc/10/43/38/1169104338.db2.gz ANDVFLQGYQLICX-OLZOCXBDSA-N -1 3 280.349 1.350 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588325107 1173024697 /nfs/dbraw/zinc/02/46/97/1173024697.db2.gz GDDCZXMMIBHCTE-HNNXBMFYSA-N -1 3 283.335 1.707 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588325107 1173024704 /nfs/dbraw/zinc/02/47/04/1173024704.db2.gz GDDCZXMMIBHCTE-HNNXBMFYSA-N -1 3 283.335 1.707 20 30 CDEDHM C#CCCNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001588346938 1173048456 /nfs/dbraw/zinc/04/84/56/1173048456.db2.gz ILZUZXHMRJEPQM-UHFFFAOYSA-N -1 3 270.321 1.912 20 30 CDEDHM C#CCCNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001588346938 1173048460 /nfs/dbraw/zinc/04/84/60/1173048460.db2.gz ILZUZXHMRJEPQM-UHFFFAOYSA-N -1 3 270.321 1.912 20 30 CDEDHM C#CCn1ccnc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001588364896 1173052808 /nfs/dbraw/zinc/05/28/08/1173052808.db2.gz LCOCYJOWQOQGDU-UHFFFAOYSA-N -1 3 292.306 1.142 20 30 CDEDHM C#CCn1ccnc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001588364896 1173052814 /nfs/dbraw/zinc/05/28/14/1173052814.db2.gz LCOCYJOWQOQGDU-UHFFFAOYSA-N -1 3 292.306 1.142 20 30 CDEDHM C(=NNC[C@H]1CCSC1)c1ccccc1-c1nnn[n-]1 ZINC001588381487 1173055689 /nfs/dbraw/zinc/05/56/89/1173055689.db2.gz FASJTYZMFLOYNT-SNVBAGLBSA-N -1 3 288.380 1.543 20 30 CDEDHM C=C1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC001588462997 1173067657 /nfs/dbraw/zinc/06/76/57/1173067657.db2.gz WAQQKVIRDXGPJT-UHFFFAOYSA-N -1 3 282.229 1.657 20 30 CDEDHM C=C1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC001588462997 1173067662 /nfs/dbraw/zinc/06/76/62/1173067662.db2.gz WAQQKVIRDXGPJT-UHFFFAOYSA-N -1 3 282.229 1.657 20 30 CDEDHM C=C[C@H](C)NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588516546 1173071112 /nfs/dbraw/zinc/07/11/12/1173071112.db2.gz YXGVSTBWELLKMN-VIFPVBQESA-N -1 3 284.323 1.466 20 30 CDEDHM C=C[C@H](C)NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588516546 1173071119 /nfs/dbraw/zinc/07/11/19/1173071119.db2.gz YXGVSTBWELLKMN-VIFPVBQESA-N -1 3 284.323 1.466 20 30 CDEDHM C=C[C@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588515957 1173072491 /nfs/dbraw/zinc/07/24/91/1173072491.db2.gz MIWKEIYAWLVIQE-DDXVTDLHSA-N -1 3 270.292 1.998 20 30 CDEDHM C=C[C@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588515957 1173072496 /nfs/dbraw/zinc/07/24/96/1173072496.db2.gz MIWKEIYAWLVIQE-DDXVTDLHSA-N -1 3 270.292 1.998 20 30 CDEDHM CC(=NNC[C@H](C)C#N)c1ccccc1-c1nnn[n-]1 ZINC001588776186 1173105886 /nfs/dbraw/zinc/10/58/86/1173105886.db2.gz CPRSRVYQCXBHSA-SECBINFHSA-N -1 3 269.312 1.340 20 30 CDEDHM CC(=NNC[C@H](C)C#N)c1ccccc1-c1nn[n-]n1 ZINC001588776186 1173105892 /nfs/dbraw/zinc/10/58/92/1173105892.db2.gz CPRSRVYQCXBHSA-SECBINFHSA-N -1 3 269.312 1.340 20 30 CDEDHM CC(C)(C#N)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589036156 1173123121 /nfs/dbraw/zinc/12/31/21/1173123121.db2.gz UCKCHMIQPWJNAH-UHFFFAOYSA-N -1 3 267.296 1.700 20 30 CDEDHM CC(C)(C#N)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589036156 1173123125 /nfs/dbraw/zinc/12/31/25/1173123125.db2.gz UCKCHMIQPWJNAH-UHFFFAOYSA-N -1 3 267.296 1.700 20 30 CDEDHM CC(C)[C@](C)(C#N)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589419328 1173143718 /nfs/dbraw/zinc/14/37/18/1173143718.db2.gz MYMQWIIYHJNECI-HNNXBMFYSA-N -1 3 298.350 1.464 20 30 CDEDHM CC(C)[C@](C)(C#N)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589419328 1173143722 /nfs/dbraw/zinc/14/37/22/1173143722.db2.gz MYMQWIIYHJNECI-HNNXBMFYSA-N -1 3 298.350 1.464 20 30 CDEDHM C[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2)CO1 ZINC001590182002 1173281600 /nfs/dbraw/zinc/28/16/00/1173281600.db2.gz WSZVXMVFFZNYQO-QMMMGPOBSA-N -1 3 258.285 1.443 20 30 CDEDHM C[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001590182002 1173281605 /nfs/dbraw/zinc/28/16/05/1173281605.db2.gz WSZVXMVFFZNYQO-QMMMGPOBSA-N -1 3 258.285 1.443 20 30 CDEDHM CC[C@H](O)CNN=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC001590477741 1173426833 /nfs/dbraw/zinc/42/68/33/1173426833.db2.gz XXWTYGZSUGANEV-JTQLQIEISA-N -1 3 292.318 1.090 20 30 CDEDHM CC[C@H](O)CNN=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC001590477741 1173426837 /nfs/dbraw/zinc/42/68/37/1173426837.db2.gz XXWTYGZSUGANEV-JTQLQIEISA-N -1 3 292.318 1.090 20 30 CDEDHM CCN(CC#N)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001590679629 1173489273 /nfs/dbraw/zinc/48/92/73/1173489273.db2.gz DPHOXTGHOZKIOF-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM CCN(CC#N)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001590679629 1173489278 /nfs/dbraw/zinc/48/92/78/1173489278.db2.gz DPHOXTGHOZKIOF-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM CCN(Cc1ccc(-c2nnn[n-]2)cc1C)[C@@H](C)C#N ZINC001590719676 1173499485 /nfs/dbraw/zinc/49/94/85/1173499485.db2.gz IVWHIIMSVOTXFT-NSHDSACASA-N -1 3 270.340 1.909 20 30 CDEDHM CCN(Cc1ccc(-c2nn[n-]n2)cc1C)[C@@H](C)C#N ZINC001590719676 1173499491 /nfs/dbraw/zinc/49/94/91/1173499491.db2.gz IVWHIIMSVOTXFT-NSHDSACASA-N -1 3 270.340 1.909 20 30 CDEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1ncccc1C#N ZINC001591130014 1173575523 /nfs/dbraw/zinc/57/55/23/1173575523.db2.gz DNYYICOXHIBUSW-UHFFFAOYSA-N -1 3 297.347 1.831 20 30 CDEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1ncccc1C#N ZINC001591130014 1173575531 /nfs/dbraw/zinc/57/55/31/1173575531.db2.gz DNYYICOXHIBUSW-UHFFFAOYSA-N -1 3 297.347 1.831 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC#N ZINC001591133329 1173575927 /nfs/dbraw/zinc/57/59/27/1173575927.db2.gz YCNCZLOFAIUJJH-UHFFFAOYSA-N -1 3 284.323 1.519 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCC#N ZINC001591133329 1173575931 /nfs/dbraw/zinc/57/59/31/1173575931.db2.gz YCNCZLOFAIUJJH-UHFFFAOYSA-N -1 3 284.323 1.519 20 30 CDEDHM COc1cc(CNc2n[nH]cc2C#N)ccc1-c1nnn[n-]1 ZINC001591538528 1173666666 /nfs/dbraw/zinc/66/66/66/1173666666.db2.gz OBGLCDWPGNLWKX-UHFFFAOYSA-N -1 3 296.294 1.082 20 30 CDEDHM COc1cc(CNc2n[nH]cc2C#N)ccc1-c1nn[n-]n1 ZINC001591538528 1173666671 /nfs/dbraw/zinc/66/66/71/1173666671.db2.gz OBGLCDWPGNLWKX-UHFFFAOYSA-N -1 3 296.294 1.082 20 30 CDEDHM Cc1cc(NC[C@H](C)C#N)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592038459 1173782507 /nfs/dbraw/zinc/78/25/07/1173782507.db2.gz GIBVZNJYXANDQY-SSDOTTSWSA-N -1 3 287.283 1.655 20 30 CDEDHM Cc1cc(NC[C@H](C)C#N)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592038459 1173782510 /nfs/dbraw/zinc/78/25/10/1173782510.db2.gz GIBVZNJYXANDQY-SSDOTTSWSA-N -1 3 287.283 1.655 20 30 CDEDHM Cc1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001592119645 1173805224 /nfs/dbraw/zinc/80/52/24/1173805224.db2.gz XENPKIJLHJBOQR-LLVKDONJSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1ccc(C(=O)N2CCC[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001592119645 1173805231 /nfs/dbraw/zinc/80/52/31/1173805231.db2.gz XENPKIJLHJBOQR-LLVKDONJSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1ccc(CN2CC[C@@](F)(C#N)C2)cc1-c1nnn[n-]1 ZINC001592153655 1173814575 /nfs/dbraw/zinc/81/45/75/1173814575.db2.gz JRFAWNGMTGKJOI-CQSZACIVSA-N -1 3 286.314 1.613 20 30 CDEDHM Cc1ccc(CN2CC[C@@](F)(C#N)C2)cc1-c1nn[n-]n1 ZINC001592153655 1173814577 /nfs/dbraw/zinc/81/45/77/1173814577.db2.gz JRFAWNGMTGKJOI-CQSZACIVSA-N -1 3 286.314 1.613 20 30 CDEDHM N#C[C@H]1CCC[C@@H](OC(=O)c2cc(-c3nnn[n-]3)ccn2)C1 ZINC001592672938 1173962072 /nfs/dbraw/zinc/96/20/72/1173962072.db2.gz QYAMJECHZDOLIQ-GXSJLCMTSA-N -1 3 298.306 1.501 20 30 CDEDHM N#C[C@H]1CCC[C@@H](OC(=O)c2cc(-c3nn[n-]n3)ccn2)C1 ZINC001592672938 1173962075 /nfs/dbraw/zinc/96/20/75/1173962075.db2.gz QYAMJECHZDOLIQ-GXSJLCMTSA-N -1 3 298.306 1.501 20 30 CDEDHM N#C[C@H]1CCCN(CCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592672846 1173963801 /nfs/dbraw/zinc/96/38/01/1173963801.db2.gz OPEINZIXBUZLAB-GFCCVEGCSA-N -1 3 298.350 1.481 20 30 CDEDHM N#Cc1ccc(CCNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001592692963 1173970451 /nfs/dbraw/zinc/97/04/51/1173970451.db2.gz 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574723372 /nfs/dbraw/zinc/72/33/72/574723372.db2.gz ZHWQFSCPASERMH-HNEYUBDGSA-N -1 3 292.379 1.931 20 30 CDEDHM COc1cc(C=NNC[C@H](C)C#N)c([N+](=O)[O-])cc1[O-] ZINC000771100856 575548816 /nfs/dbraw/zinc/54/88/16/575548816.db2.gz WCZKFLDWGYMZEN-MRVPVSSYSA-N -1 3 278.268 1.392 20 30 CDEDHM CC(C)c1cccc2c1OCCC2=N[N-]S(C)(=O)=O ZINC000753929184 574982150 /nfs/dbraw/zinc/98/21/50/574982150.db2.gz PIOSMNYYCOMWCQ-UHFFFAOYSA-N -1 3 282.365 1.846 20 30 CDEDHM Cc1ncc(CO)c(/C=N/CCOC[C@H]2CCOC2)c1[O-] ZINC000731562669 575054098 /nfs/dbraw/zinc/05/40/98/575054098.db2.gz FLHJLDXQKBHLNX-QFULYMJESA-N -1 3 294.351 1.060 20 30 CDEDHM C[C@@H](C#N)C[N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1 ZINC000732111753 575080120 /nfs/dbraw/zinc/08/01/20/575080120.db2.gz JZDYPXGOHGQSDY-VIFPVBQESA-N -1 3 282.246 1.747 20 30 CDEDHM N#Cc1ccc(C(=O)O[C@@H](Cc2ccccc2)C(N)=O)[n-]1 ZINC000774908321 575250527 /nfs/dbraw/zinc/25/05/27/575250527.db2.gz ZXTOTPUDEGJXOB-ZDUSSCGKSA-N -1 3 283.287 1.140 20 30 CDEDHM Cc1ncc(CO)c(C=NNCc2ccc(C#N)cc2)c1[O-] ZINC000769816602 575388681 /nfs/dbraw/zinc/38/86/81/575388681.db2.gz WGHISBRHBSIMRM-UHFFFAOYSA-N -1 3 296.330 1.583 20 30 CDEDHM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000770287303 575437035 /nfs/dbraw/zinc/43/70/35/575437035.db2.gz XQDPOHMXQWBNQQ-PBKGFPTLSA-N -1 3 298.339 1.303 20 30 CDEDHM C#CC(C)(C)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735375052 575460407 /nfs/dbraw/zinc/46/04/07/575460407.db2.gz ISSTVKJVYDPFJV-JTQLQIEISA-N -1 3 299.334 1.162 20 30 CDEDHM C#CC(C)(C)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735375052 575460408 /nfs/dbraw/zinc/46/04/08/575460408.db2.gz ISSTVKJVYDPFJV-JTQLQIEISA-N -1 3 299.334 1.162 20 30 CDEDHM C=CC[C@@H](C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735410016 575460823 /nfs/dbraw/zinc/46/08/23/575460823.db2.gz RJUIMIWUYZCUMY-SNVBAGLBSA-N -1 3 286.339 1.631 20 30 CDEDHM C=CC[C@@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735410016 575460824 /nfs/dbraw/zinc/46/08/24/575460824.db2.gz RJUIMIWUYZCUMY-SNVBAGLBSA-N -1 3 286.339 1.631 20 30 CDEDHM C=CC[C@H](C)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735410065 575461393 /nfs/dbraw/zinc/46/13/93/575461393.db2.gz SPQUUPPMMCTHLA-JTQLQIEISA-N -1 3 287.323 1.326 20 30 CDEDHM C=CC[C@H](C)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735410065 575461397 /nfs/dbraw/zinc/46/13/97/575461397.db2.gz SPQUUPPMMCTHLA-JTQLQIEISA-N -1 3 287.323 1.326 20 30 CDEDHM C=CCCCOC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735412936 575461524 /nfs/dbraw/zinc/46/15/24/575461524.db2.gz NCLKDYGYAMFDJZ-UHFFFAOYSA-N -1 3 272.308 1.919 20 30 CDEDHM C=CCCCOC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735412936 575461526 /nfs/dbraw/zinc/46/15/26/575461526.db2.gz NCLKDYGYAMFDJZ-UHFFFAOYSA-N -1 3 272.308 1.919 20 30 CDEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCOC1 ZINC000735451212 575471583 /nfs/dbraw/zinc/47/15/83/575471583.db2.gz UBRFWQRJEVWACC-LLVKDONJSA-N -1 3 272.312 1.691 20 30 CDEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC000735451212 575471585 /nfs/dbraw/zinc/47/15/85/575471585.db2.gz UBRFWQRJEVWACC-LLVKDONJSA-N -1 3 272.312 1.691 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C)C#N ZINC000770744120 575494608 /nfs/dbraw/zinc/49/46/08/575494608.db2.gz QTUCQNIJUSQQTL-SECBINFHSA-N -1 3 287.319 1.911 20 30 CDEDHM C=CCN1CCC(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])CC1 ZINC000736107437 575564492 /nfs/dbraw/zinc/56/44/92/575564492.db2.gz XASSHBZMOGAWCF-CYBMUJFWSA-N -1 3 297.399 1.435 20 30 CDEDHM CC(=NOCC(N)=O)c1cc(Br)ccc1[O-] ZINC000771570985 575591735 /nfs/dbraw/zinc/59/17/35/575591735.db2.gz OFKVZOPAEGOXIW-UHFFFAOYSA-N -1 3 287.113 1.381 20 30 CDEDHM Cc1cccc(C)c1OCCn1ccc(C=N[O-])nc1=O ZINC000736301978 575615975 /nfs/dbraw/zinc/61/59/75/575615975.db2.gz FKDQUCKEZUJTLF-UHFFFAOYSA-N -1 3 287.319 1.747 20 30 CDEDHM CCN(CCC#N)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736533593 575682913 /nfs/dbraw/zinc/68/29/13/575682913.db2.gz AFWPSFWMALEOCV-UHFFFAOYSA-N -1 3 298.350 1.561 20 30 CDEDHM CCN(CCC#N)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736533593 575682916 /nfs/dbraw/zinc/68/29/16/575682916.db2.gz AFWPSFWMALEOCV-UHFFFAOYSA-N -1 3 298.350 1.561 20 30 CDEDHM C#C[C@H](NC(=O)c1nnc2ccccc2c1[O-])[C@H]1CCCO1 ZINC000772882260 575762548 /nfs/dbraw/zinc/76/25/48/575762548.db2.gz URIQNPPCWXQFOU-WCQYABFASA-N -1 3 297.314 1.246 20 30 CDEDHM CCN(C[C@H](C)C#N)C(=O)CN(CCC(=O)[O-])C(C)C ZINC000737079139 575813538 /nfs/dbraw/zinc/81/35/38/575813538.db2.gz KVXSRLHOOCXENK-GFCCVEGCSA-N -1 3 283.372 1.180 20 30 CDEDHM C=C(Cl)CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000764543209 575920132 /nfs/dbraw/zinc/92/01/32/575920132.db2.gz YNRKELXONVBFFN-UHFFFAOYSA-N -1 3 254.652 1.579 20 30 CDEDHM C=C(Cl)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000764543209 575920133 /nfs/dbraw/zinc/92/01/33/575920133.db2.gz YNRKELXONVBFFN-UHFFFAOYSA-N -1 3 254.652 1.579 20 30 CDEDHM C=C(Cl)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000764543209 575920135 /nfs/dbraw/zinc/92/01/35/575920135.db2.gz YNRKELXONVBFFN-UHFFFAOYSA-N -1 3 254.652 1.579 20 30 CDEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCO[C@H](C3CC3)C2)c1[O-] ZINC000764888544 575960696 /nfs/dbraw/zinc/96/06/96/575960696.db2.gz MKETZDCNYUVXAH-VLIJWEKKSA-N -1 3 290.363 1.964 20 30 CDEDHM Cc1cnn(CCN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738813968 576117836 /nfs/dbraw/zinc/11/78/36/576117836.db2.gz JGDDKOCUHHVMRZ-AWEZNQCLSA-N -1 3 284.319 1.479 20 30 CDEDHM COc1ccc(C=NN2CC(=O)[N-]C2=O)cc1Cl ZINC000741462443 576560252 /nfs/dbraw/zinc/56/02/52/576560252.db2.gz PHCDAMSKLGJSOV-UHFFFAOYSA-N -1 3 267.672 1.234 20 30 CDEDHM [O-]c1ccc(C=NNc2ccc(-n3ccnc3)nn2)cc1F ZINC000761838441 576596799 /nfs/dbraw/zinc/59/67/99/576596799.db2.gz LSICRUNEKVLGCZ-UHFFFAOYSA-N -1 3 298.281 1.953 20 30 CDEDHM [O-]c1ccc(CN=Nc2ccc(-n3ccnc3)nn2)cc1F ZINC000761838441 576596800 /nfs/dbraw/zinc/59/68/00/576596800.db2.gz LSICRUNEKVLGCZ-UHFFFAOYSA-N -1 3 298.281 1.953 20 30 CDEDHM CC(C)(C)c1ccc(C(=O)NCC(=O)N[O-])cc1 ZINC000742825090 576618745 /nfs/dbraw/zinc/61/87/45/576618745.db2.gz ZMBCAPMKJDJJAY-UHFFFAOYSA-N -1 3 250.298 1.219 20 30 CDEDHM O=C1CN(N=Cc2ccc(CSC(F)F)o2)C(=O)[N-]1 ZINC000744810136 576699079 /nfs/dbraw/zinc/69/90/79/576699079.db2.gz MEBAUUBLDNGKMG-UHFFFAOYSA-N -1 3 289.263 1.621 20 30 CDEDHM N#Cc1ccc(C(=O)O[C@@H]2CCO[C@H]([C@H]3CCOC3)C2)[n-]1 ZINC000763088116 576711573 /nfs/dbraw/zinc/71/15/73/576711573.db2.gz PJNHTRSQDPACPL-SUHUHFCYSA-N -1 3 290.319 1.627 20 30 CDEDHM N#CC1CCN(C(=O)c2cc3n[n-]nc3cc2F)CC1 ZINC000753809586 576860405 /nfs/dbraw/zinc/86/04/05/576860405.db2.gz NMKCAIXGIQGLCS-UHFFFAOYSA-N -1 3 273.271 1.473 20 30 CDEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(F)n2)c1[O-] ZINC000747691007 576880588 /nfs/dbraw/zinc/88/05/88/576880588.db2.gz STZLJFQGVHDRMW-FRKPEAEDSA-N -1 3 275.283 1.741 20 30 CDEDHM N#Cc1ccc(C(=O)COC(=O)c2cncc([O-])c2)cc1 ZINC000748278613 576903762 /nfs/dbraw/zinc/90/37/62/576903762.db2.gz ZXUALZKKDIUSAT-UHFFFAOYSA-N -1 3 282.255 1.699 20 30 CDEDHM CC[C@@]1(C)NC(=O)N(N=Cc2ccc([O-])c(F)c2)C1=O ZINC000755556731 576949543 /nfs/dbraw/zinc/94/95/43/576949543.db2.gz XOPKHXMPOSLPCR-CYBMUJFWSA-N -1 3 279.271 1.586 20 30 CDEDHM Cn1ncc2c1ncnc2N=NCc1cc(F)ccc1[O-] ZINC000755646061 576953792 /nfs/dbraw/zinc/95/37/92/576953792.db2.gz XFAKPJRWCSYJAS-UHFFFAOYSA-N -1 3 286.270 1.654 20 30 CDEDHM Cc1cc(=O)[n-]c(N=NC2CN(C3CC3)C[C@@H]2C)n1 ZINC000755876104 576965585 /nfs/dbraw/zinc/96/55/85/576965585.db2.gz ZAVSJPGWRIIFAN-QMMMGPOBSA-N -1 3 261.329 1.373 20 30 CDEDHM C#CCOCCC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000756772635 577003757 /nfs/dbraw/zinc/00/37/57/577003757.db2.gz NNNBOHNQTOYMNO-UHFFFAOYSA-N -1 3 291.303 1.547 20 30 CDEDHM CC(C)(C#N)C[N-]C(=O)C(F)(F)c1nccs1 ZINC000757600471 577045370 /nfs/dbraw/zinc/04/53/70/577045370.db2.gz ZTZCYRCUJJPAFT-UHFFFAOYSA-N -1 3 259.281 1.901 20 30 CDEDHM C#CCCCC(=O)O[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000759176221 577157477 /nfs/dbraw/zinc/15/74/77/577157477.db2.gz NJTSEASEHFXPQZ-SNVBAGLBSA-N -1 3 264.281 1.657 20 30 CDEDHM C[C@@H](C#N)COC(=O)c1sccc1-c1nnn[n-]1 ZINC000819854830 607323030 /nfs/dbraw/zinc/32/30/30/607323030.db2.gz CNOOYAWLIANMIX-LURJTMIESA-N -1 3 263.282 1.245 20 30 CDEDHM C[C@H](C#N)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819854234 607323204 /nfs/dbraw/zinc/32/32/04/607323204.db2.gz BDDJZTZAZHYCFM-JYESYGNLSA-N -1 3 283.291 1.583 20 30 CDEDHM C[C@H](C#N)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819854234 607323205 /nfs/dbraw/zinc/32/32/05/607323205.db2.gz BDDJZTZAZHYCFM-JYESYGNLSA-N -1 3 283.291 1.583 20 30 CDEDHM C[C@H](C#N)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819844735 599551403 /nfs/dbraw/zinc/55/14/03/599551403.db2.gz LUHFVSJJZBFIQS-BDAKNGLRSA-N -1 3 270.296 1.204 20 30 CDEDHM C#C[C@@H]1CCCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001602682012 1175351115 /nfs/dbraw/zinc/35/11/15/1175351115.db2.gz XOZVSBPLDGPPIS-CHWSQXEVSA-N -1 3 292.379 1.043 20 30 CDEDHM C[C@H]1OCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000825014127 607652734 /nfs/dbraw/zinc/65/27/34/607652734.db2.gz TZOUXYOOMZGCBW-MRVPVSSYSA-N -1 3 258.285 1.443 20 30 CDEDHM C[C@H]1OCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000825014127 607652735 /nfs/dbraw/zinc/65/27/35/607652735.db2.gz TZOUXYOOMZGCBW-MRVPVSSYSA-N -1 3 258.285 1.443 20 30 CDEDHM C#CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cn1 ZINC001602706262 1175367752 /nfs/dbraw/zinc/36/77/52/1175367752.db2.gz OLGBTAKBTXRVOB-UHFFFAOYSA-N -1 3 271.280 1.108 20 30 CDEDHM C#CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cn1 ZINC001602706262 1175367757 /nfs/dbraw/zinc/36/77/57/1175367757.db2.gz OLGBTAKBTXRVOB-UHFFFAOYSA-N -1 3 271.280 1.108 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000823878451 607695852 /nfs/dbraw/zinc/69/58/52/607695852.db2.gz ZSQQSEGTQDMKSO-UHFFFAOYSA-N -1 3 260.301 1.233 20 30 CDEDHM C=C(C)CN(CC)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000823878451 607695854 /nfs/dbraw/zinc/69/58/54/607695854.db2.gz ZSQQSEGTQDMKSO-UHFFFAOYSA-N -1 3 260.301 1.233 20 30 CDEDHM C[C@@H](c1ccc(C#N)cc1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833546743 604984768 /nfs/dbraw/zinc/98/47/68/604984768.db2.gz LLHBCVURTRVEJE-XHDPSFHLSA-N -1 3 288.347 1.777 20 30 CDEDHM C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001602782684 1175399785 /nfs/dbraw/zinc/39/97/85/1175399785.db2.gz 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C=C[C@@](C)(O)CC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588500851 1173069033 /nfs/dbraw/zinc/06/90/33/1173069033.db2.gz FNTVJZOKLRRGHF-OAHLLOKOSA-N -1 3 299.334 1.036 20 30 CDEDHM C=C[C@@](C)(O)CC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588500851 1173069039 /nfs/dbraw/zinc/06/90/39/1173069039.db2.gz FNTVJZOKLRRGHF-OAHLLOKOSA-N -1 3 299.334 1.036 20 30 CDEDHM C=C[C@@](C)(O)C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001588500069 1173069746 /nfs/dbraw/zinc/06/97/46/1173069746.db2.gz QHXMGSWLYUXACO-CYBMUJFWSA-N -1 3 273.296 1.051 20 30 CDEDHM C=C[C@@](C)(O)C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001588500069 1173069753 /nfs/dbraw/zinc/06/97/53/1173069753.db2.gz QHXMGSWLYUXACO-CYBMUJFWSA-N -1 3 273.296 1.051 20 30 CDEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588539687 1173076958 /nfs/dbraw/zinc/07/69/58/1173076958.db2.gz VCBICTHRUZNOJH-MRVPVSSYSA-N -1 3 273.300 1.348 20 30 CDEDHM C=CC[C@H](C)OC(=O)c1cnccc1-c1nnn[n-]1 ZINC001588539221 1173078560 /nfs/dbraw/zinc/07/85/60/1173078560.db2.gz 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/nfs/dbraw/zinc/09/76/87/1173097687.db2.gz GARNYIRTFFMPJD-UHFFFAOYSA-N -1 3 297.278 1.921 20 30 CDEDHM C=CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001588663098 1173097697 /nfs/dbraw/zinc/09/76/97/1173097697.db2.gz GARNYIRTFFMPJD-UHFFFAOYSA-N -1 3 297.278 1.921 20 30 CDEDHM C=C[C@H](CO)Nc1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588730135 1173102699 /nfs/dbraw/zinc/10/26/99/1173102699.db2.gz GUTAQOLCCACFAD-MRVPVSSYSA-N -1 3 263.276 1.273 20 30 CDEDHM C=C[C@H](CO)Nc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588730135 1173102706 /nfs/dbraw/zinc/10/27/06/1173102706.db2.gz GUTAQOLCCACFAD-MRVPVSSYSA-N -1 3 263.276 1.273 20 30 CDEDHM CC(C)N(C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589673394 1173167949 /nfs/dbraw/zinc/16/79/49/1173167949.db2.gz ZGPJHXYNFZOZDD-CYBMUJFWSA-N -1 3 298.350 1.416 20 30 CDEDHM C[C@@H](O)CN(C)N=CCCc1ccc(-c2nnn[n-]2)cc1 ZINC001590001341 1173231772 /nfs/dbraw/zinc/23/17/72/1173231772.db2.gz XIEACHAHJGTFAN-LLVKDONJSA-N -1 3 288.355 1.098 20 30 CDEDHM C[C@@H](O)CN(C)N=CCCc1ccc(-c2nn[n-]n2)cc1 ZINC001590001341 1173231782 /nfs/dbraw/zinc/23/17/82/1173231782.db2.gz XIEACHAHJGTFAN-LLVKDONJSA-N -1 3 288.355 1.098 20 30 CDEDHM CC1(C#N)CN(CCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590056837 1173242162 /nfs/dbraw/zinc/24/21/62/1173242162.db2.gz UHEUKHKBCOZDEN-UHFFFAOYSA-N -1 3 298.350 1.481 20 30 CDEDHM C/C=C/COC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590355609 1173370992 /nfs/dbraw/zinc/37/09/92/1173370992.db2.gz SUOWKFJPZZSEBA-YWVDXFKGSA-N -1 3 297.318 1.668 20 30 CDEDHM C/C=C/COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590355609 1173370999 /nfs/dbraw/zinc/37/09/99/1173370999.db2.gz SUOWKFJPZZSEBA-YWVDXFKGSA-N -1 3 297.318 1.668 20 30 CDEDHM CCC(=NN(C)C[C@@H](C)O)c1cccc(-c2nnn[n-]2)c1 ZINC001590359429 1173372188 /nfs/dbraw/zinc/37/21/88/1173372188.db2.gz ZEVQHCYMUGMELB-SNVBAGLBSA-N -1 3 288.355 1.293 20 30 CDEDHM CCC(=NN(C)C[C@@H](C)O)c1cccc(-c2nn[n-]n2)c1 ZINC001590359429 1173372191 /nfs/dbraw/zinc/37/21/91/1173372191.db2.gz ZEVQHCYMUGMELB-SNVBAGLBSA-N -1 3 288.355 1.293 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590419078 1173402300 /nfs/dbraw/zinc/40/23/00/1173402300.db2.gz CBGJKPHXQNQXEY-KRZKBDHCSA-N -1 3 296.334 1.688 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590419078 1173402307 /nfs/dbraw/zinc/40/23/07/1173402307.db2.gz CBGJKPHXQNQXEY-KRZKBDHCSA-N -1 3 296.334 1.688 20 30 CDEDHM CCn1ccnc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590962026 1173552808 /nfs/dbraw/zinc/55/28/08/1173552808.db2.gz MMRXREVZZWVSSL-UHFFFAOYSA-N -1 3 294.322 1.567 20 30 CDEDHM CCn1ccnc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590962026 1173552813 /nfs/dbraw/zinc/55/28/13/1173552813.db2.gz MMRXREVZZWVSSL-UHFFFAOYSA-N -1 3 294.322 1.567 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC001591135059 1173574186 /nfs/dbraw/zinc/57/41/86/1173574186.db2.gz JXLOVBODUWGANG-ZIAGYGMSSA-N -1 3 282.351 1.991 20 30 CDEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC[C@H]1C#N ZINC001591144244 1173579879 /nfs/dbraw/zinc/57/98/79/1173579879.db2.gz OPLOKTPHKIIDPG-KBPBESRZSA-N -1 3 282.351 1.991 20 30 CDEDHM CO[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)C1CC1 ZINC001591314899 1173602831 /nfs/dbraw/zinc/60/28/31/1173602831.db2.gz FBZUKUDBGCMEQB-LBPRGKRZSA-N -1 3 298.306 1.102 20 30 CDEDHM CO[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)C1CC1 ZINC001591314899 1173602833 /nfs/dbraw/zinc/60/28/33/1173602833.db2.gz FBZUKUDBGCMEQB-LBPRGKRZSA-N -1 3 298.306 1.102 20 30 CDEDHM Cc1c(C(=O)N[C@@H]2CC[C@H](C#N)C2)cccc1-c1nnn[n-]1 ZINC001591809853 1173710497 /nfs/dbraw/zinc/71/04/97/1173710497.db2.gz IGCYDFMWXFSWGB-WDEREUQCSA-N -1 3 296.334 1.597 20 30 CDEDHM Cc1c(C(=O)N[C@@H]2CC[C@H](C#N)C2)cccc1-c1nn[n-]n1 ZINC001591809853 1173710503 /nfs/dbraw/zinc/71/05/03/1173710503.db2.gz IGCYDFMWXFSWGB-WDEREUQCSA-N -1 3 296.334 1.597 20 30 CDEDHM Cc1cc(CN[C@@H](C)CC#N)ccc1-c1nn[n-]n1 ZINC001591966556 1173759239 /nfs/dbraw/zinc/75/92/39/1173759239.db2.gz FLXKKTHMXDRELQ-JTQLQIEISA-N -1 3 256.313 1.567 20 30 CDEDHM Cc1nc(N(C)C[C@@H](C)C#N)c(Cl)cc1-c1nnn[n-]1 ZINC001592363702 1173866592 /nfs/dbraw/zinc/86/65/92/1173866592.db2.gz VWZFTMCSTRBTMZ-ZETCQYMHSA-N -1 3 291.746 1.819 20 30 CDEDHM N#C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001592673166 1173962175 /nfs/dbraw/zinc/96/21/75/1173962175.db2.gz VQPLNESWULIIDA-VIFPVBQESA-N -1 3 299.294 1.515 20 30 CDEDHM N#C[C@H]1CC[C@@H](NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001592672425 1173962694 /nfs/dbraw/zinc/96/26/94/1173962694.db2.gz IDGDEAPKEOSILI-JGVFFNPUSA-N -1 3 275.341 1.105 20 30 CDEDHM N#CCCCOC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001592676368 1173966670 /nfs/dbraw/zinc/96/66/70/1173966670.db2.gz MSRJUXLOLMFNNZ-UHFFFAOYSA-N -1 3 275.243 1.466 20 30 CDEDHM N#CCCCOC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001592676368 1173966677 /nfs/dbraw/zinc/96/66/77/1173966677.db2.gz MSRJUXLOLMFNNZ-UHFFFAOYSA-N -1 3 275.243 1.466 20 30 CDEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001592696953 1173975327 /nfs/dbraw/zinc/97/53/27/1173975327.db2.gz ISLHKRIGMBZBAC-UHFFFAOYSA-N -1 3 277.291 1.745 20 30 CDEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001592696953 1173975331 /nfs/dbraw/zinc/97/53/31/1173975331.db2.gz ISLHKRIGMBZBAC-UHFFFAOYSA-N -1 3 277.291 1.745 20 30 CDEDHM N#Cc1cccc(CN2CCC3(CC(C(=O)[O-])=NO3)CC2)c1 ZINC001601123123 1174750638 /nfs/dbraw/zinc/75/06/38/1174750638.db2.gz XVSXLOKXDRBKPV-UHFFFAOYSA-N -1 3 299.330 1.754 20 30 CDEDHM C=CCNC(=O)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602862790 1175438152 /nfs/dbraw/zinc/43/81/52/1175438152.db2.gz JRIJNRCFQDBNGC-UHFFFAOYSA-N -1 3 293.714 1.201 20 30 CDEDHM C=CCNC(=O)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602862790 1175438155 /nfs/dbraw/zinc/43/81/55/1175438155.db2.gz JRIJNRCFQDBNGC-UHFFFAOYSA-N -1 3 293.714 1.201 20 30 CDEDHM C[C@H](C#N)CN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001602983938 1175471066 /nfs/dbraw/zinc/47/10/66/1175471066.db2.gz PHNVIGYWNQBMEF-MRVPVSSYSA-N -1 3 287.283 1.371 20 30 CDEDHM C[C@H](C#N)CN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001602983938 1175471069 /nfs/dbraw/zinc/47/10/69/1175471069.db2.gz PHNVIGYWNQBMEF-MRVPVSSYSA-N -1 3 287.283 1.371 20 30 CDEDHM C[C@H](CC#N)C(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001603443276 1175554177 /nfs/dbraw/zinc/55/41/77/1175554177.db2.gz SBMJGXYYMHLLGI-SECBINFHSA-N -1 3 282.307 1.259 20 30 CDEDHM C[C@H](CC#N)C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001603443276 1175554187 /nfs/dbraw/zinc/55/41/87/1175554187.db2.gz SBMJGXYYMHLLGI-SECBINFHSA-N -1 3 282.307 1.259 20 30 CDEDHM C[C@@H](CC#N)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001603442614 1175554546 /nfs/dbraw/zinc/55/45/46/1175554546.db2.gz LCKASGFBXGCVPY-ZANVPECISA-N -1 3 296.334 1.520 20 30 CDEDHM C[C@@H](CC#N)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001603442614 1175554553 /nfs/dbraw/zinc/55/45/53/1175554553.db2.gz LCKASGFBXGCVPY-ZANVPECISA-N -1 3 296.334 1.520 20 30 CDEDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603956669 1175699209 /nfs/dbraw/zinc/69/92/09/1175699209.db2.gz XWYIOWPHYLKSQB-BSTOTGJRSA-N -1 3 298.350 1.962 20 30 CDEDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603956669 1175699212 /nfs/dbraw/zinc/69/92/12/1175699212.db2.gz XWYIOWPHYLKSQB-BSTOTGJRSA-N -1 3 298.350 1.962 20 30 CDEDHM N#CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000152455430 1178113516 /nfs/dbraw/zinc/11/35/16/1178113516.db2.gz OYIYWLFCGHSUGB-UHFFFAOYSA-N -1 3 282.218 1.646 20 30 CDEDHM N#Cc1ncn(Cc2scnc2Cl)c1-c1nnn[n-]1 ZINC001606399116 1163889515 /nfs/dbraw/zinc/88/95/15/1163889515.db2.gz NKSLNWIISQMIBW-UHFFFAOYSA-N -1 3 292.715 1.093 20 30 CDEDHM Cc1cc(NN=Cc2cccn2[C@H](C)C(=O)[O-])ccn1 ZINC001607696061 1164273118 /nfs/dbraw/zinc/27/31/18/1164273118.db2.gz XXKNCPDCWDYHNT-LLVKDONJSA-N -1 3 272.308 1.705 20 30 CDEDHM C=CCCCNC(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001609054953 1164750581 /nfs/dbraw/zinc/75/05/81/1164750581.db2.gz MOYYXIDTOMXCEU-UHFFFAOYSA-N -1 3 287.327 1.027 20 30 CDEDHM C=CCCCNC(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001609054953 1164750589 /nfs/dbraw/zinc/75/05/89/1164750589.db2.gz 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C#C[C@@H](CCC)NC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588327653 1173029256 /nfs/dbraw/zinc/02/92/56/1173029256.db2.gz NXEQSLHPHQNERP-QMMMGPOBSA-N -1 3 290.352 1.852 20 30 CDEDHM C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1C)C(C)(C)C ZINC001588329536 1173032178 /nfs/dbraw/zinc/03/21/78/1173032178.db2.gz IHLIVTDMZYHBDP-ZDUSSCGKSA-N -1 3 297.362 1.953 20 30 CDEDHM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1C)C(C)(C)C ZINC001588329536 1173032181 /nfs/dbraw/zinc/03/21/81/1173032181.db2.gz IHLIVTDMZYHBDP-ZDUSSCGKSA-N -1 3 297.362 1.953 20 30 CDEDHM C#CC1CCN(c2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001588330855 1173035286 /nfs/dbraw/zinc/03/52/86/1173035286.db2.gz LCXCRIYMFRAFGL-UHFFFAOYSA-N -1 3 271.299 1.855 20 30 CDEDHM C#CC1CCN(c2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001588330855 1173035290 /nfs/dbraw/zinc/03/52/90/1173035290.db2.gz LCXCRIYMFRAFGL-UHFFFAOYSA-N -1 3 271.299 1.855 20 30 CDEDHM C#CC[C@@H](COC)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588334500 1173038106 /nfs/dbraw/zinc/03/81/06/1173038106.db2.gz 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1173063775 /nfs/dbraw/zinc/06/37/75/1173063775.db2.gz RUMZYSIKCAMTAM-UHFFFAOYSA-N -1 3 294.336 1.460 20 30 CDEDHM C=C(C)CN1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588430005 1173063941 /nfs/dbraw/zinc/06/39/41/1173063941.db2.gz JTCWQQQVYMUUSU-CQSZACIVSA-N -1 3 285.351 1.816 20 30 CDEDHM C=C1CN(C(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588462547 1173065320 /nfs/dbraw/zinc/06/53/20/1173065320.db2.gz KDLOOFMDQPKXCF-NSHDSACASA-N -1 3 283.335 1.444 20 30 CDEDHM C=C1CN(C(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588462547 1173065324 /nfs/dbraw/zinc/06/53/24/1173065324.db2.gz KDLOOFMDQPKXCF-NSHDSACASA-N -1 3 283.335 1.444 20 30 CDEDHM C=C[C@@H](COC)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588526224 1173074765 /nfs/dbraw/zinc/07/47/65/1173074765.db2.gz SJRTZOXNTOIALY-QMMMGPOBSA-N -1 3 263.276 1.619 20 30 CDEDHM C=C[C@@H](COC)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588526224 1173074775 /nfs/dbraw/zinc/07/47/75/1173074775.db2.gz SJRTZOXNTOIALY-QMMMGPOBSA-N -1 3 263.276 1.619 20 30 CDEDHM C=CC1(OC(=O)c2cc(C)c(-c3nnn[n-]3)cn2)CC1 ZINC001588527617 1173075471 /nfs/dbraw/zinc/07/54/71/1173075471.db2.gz QDTLMMREQLSEOG-UHFFFAOYSA-N -1 3 271.280 1.446 20 30 CDEDHM C=CC1(OC(=O)c2cc(C)c(-c3nn[n-]n3)cn2)CC1 ZINC001588527617 1173075474 /nfs/dbraw/zinc/07/54/74/1173075474.db2.gz QDTLMMREQLSEOG-UHFFFAOYSA-N -1 3 271.280 1.446 20 30 CDEDHM C=CC1(OC(=O)c2ncc(-c3nnn[n-]3)cc2C)CC1 ZINC001588527460 1173076390 /nfs/dbraw/zinc/07/63/90/1173076390.db2.gz KTZURJLDINWCPV-UHFFFAOYSA-N -1 3 271.280 1.446 20 30 CDEDHM C=CC1(OC(=O)c2ncc(-c3nn[n-]n3)cc2C)CC1 ZINC001588527460 1173076395 /nfs/dbraw/zinc/07/63/95/1173076395.db2.gz KTZURJLDINWCPV-UHFFFAOYSA-N -1 3 271.280 1.446 20 30 CDEDHM C=CCCNC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588609333 1173089520 /nfs/dbraw/zinc/08/95/20/1173089520.db2.gz MNPYALJAJTZTPH-UHFFFAOYSA-N -1 3 278.341 1.934 20 30 CDEDHM C=CCCNC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588609333 1173089522 /nfs/dbraw/zinc/08/95/22/1173089522.db2.gz MNPYALJAJTZTPH-UHFFFAOYSA-N -1 3 278.341 1.934 20 30 CDEDHM CC#CC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588737637 1173102714 /nfs/dbraw/zinc/10/27/14/1173102714.db2.gz GYFGPCULQXNIFU-UHFFFAOYSA-N -1 3 283.335 1.629 20 30 CDEDHM CC#CC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588737637 1173102718 /nfs/dbraw/zinc/10/27/18/1173102718.db2.gz GYFGPCULQXNIFU-UHFFFAOYSA-N -1 3 283.335 1.629 20 30 CDEDHM CC(=NN1CCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588772773 1173104595 /nfs/dbraw/zinc/10/45/95/1173104595.db2.gz RNPYAHWJYVLPSH-UHFFFAOYSA-N -1 3 260.276 1.436 20 30 CDEDHM CC(=NN1CCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588772773 1173104599 /nfs/dbraw/zinc/10/45/99/1173104599.db2.gz RNPYAHWJYVLPSH-UHFFFAOYSA-N -1 3 260.276 1.436 20 30 CDEDHM C[C@H](C#N)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588933892 1173115935 /nfs/dbraw/zinc/11/59/35/1173115935.db2.gz BCYCDMHYLLBTGG-SSDOTTSWSA-N -1 3 273.256 1.346 20 30 CDEDHM C[C@H](C#N)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588933892 1173115938 /nfs/dbraw/zinc/11/59/38/1173115938.db2.gz BCYCDMHYLLBTGG-SSDOTTSWSA-N -1 3 273.256 1.346 20 30 CDEDHM CC(C)(C#N)CC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001589033285 1173119891 /nfs/dbraw/zinc/11/98/91/1173119891.db2.gz DOZADEFUEYKZIU-UHFFFAOYSA-N -1 3 298.350 1.465 20 30 CDEDHM CC(C)(C#N)CC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001589033285 1173119894 /nfs/dbraw/zinc/11/98/94/1173119894.db2.gz DOZADEFUEYKZIU-UHFFFAOYSA-N -1 3 298.350 1.465 20 30 CDEDHM CC(C)(C#N)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC001589034207 1173120615 /nfs/dbraw/zinc/12/06/15/1173120615.db2.gz UEHNKERMVZVAQA-UHFFFAOYSA-N -1 3 285.307 1.850 20 30 CDEDHM CC(C)(C#N)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC001589034207 1173120619 /nfs/dbraw/zinc/12/06/19/1173120619.db2.gz UEHNKERMVZVAQA-UHFFFAOYSA-N -1 3 285.307 1.850 20 30 CDEDHM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001589504217 1173151133 /nfs/dbraw/zinc/15/11/33/1173151133.db2.gz USGLVBHXXABQNL-CHWSQXEVSA-N -1 3 296.334 1.969 20 30 CDEDHM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001589504217 1173151135 /nfs/dbraw/zinc/15/11/35/1173151135.db2.gz USGLVBHXXABQNL-CHWSQXEVSA-N -1 3 296.334 1.969 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001590371455 1173375723 /nfs/dbraw/zinc/37/57/23/1173375723.db2.gz AAJJQNHCETWTJF-HNNXBMFYSA-N -1 3 296.334 1.696 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001590371455 1173375731 /nfs/dbraw/zinc/37/57/31/1173375731.db2.gz AAJJQNHCETWTJF-HNNXBMFYSA-N -1 3 296.334 1.696 20 30 CDEDHM CC[C@@H](C#N)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001590367878 1173375911 /nfs/dbraw/zinc/37/59/11/1173375911.db2.gz LUHKVNQKMGPKQX-QMMMGPOBSA-N -1 3 276.325 1.302 20 30 CDEDHM CC[C@@H](C#N)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001590367878 1173375923 /nfs/dbraw/zinc/37/59/23/1173375923.db2.gz LUHKVNQKMGPKQX-QMMMGPOBSA-N -1 3 276.325 1.302 20 30 CDEDHM CC[C@@H](C#N)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001590367085 1173376738 /nfs/dbraw/zinc/37/67/38/1173376738.db2.gz ALLGMTACLJUPSO-ZETCQYMHSA-N -1 3 276.325 1.094 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccnc(C#N)c1 ZINC001591137308 1173577956 /nfs/dbraw/zinc/57/79/56/1173577956.db2.gz YWJIACFGDXSZCU-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccnc(C#N)c1 ZINC001591137308 1173577964 /nfs/dbraw/zinc/57/79/64/1173577964.db2.gz YWJIACFGDXSZCU-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM CN(Cc1ccon1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591150056 1173581007 /nfs/dbraw/zinc/58/10/07/1173581007.db2.gz KJLJVOUOBJMQES-UHFFFAOYSA-N -1 3 281.279 1.363 20 30 CDEDHM CN(Cc1ccon1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591150056 1173581012 /nfs/dbraw/zinc/58/10/12/1173581012.db2.gz KJLJVOUOBJMQES-UHFFFAOYSA-N -1 3 281.279 1.363 20 30 CDEDHM Cc1cc(F)c(-c2nnn[n-]2)c(N2CC(CC#N)C2)c1 ZINC001591979628 1173764201 /nfs/dbraw/zinc/76/42/01/1173764201.db2.gz LTFBHXLZSRWITL-UHFFFAOYSA-N -1 3 272.287 1.664 20 30 CDEDHM Cc1cc(F)c(-c2nn[n-]n2)c(N2CC(CC#N)C2)c1 ZINC001591979628 1173764206 /nfs/dbraw/zinc/76/42/06/1173764206.db2.gz LTFBHXLZSRWITL-UHFFFAOYSA-N -1 3 272.287 1.664 20 30 CDEDHM Cc1cc(NC(=O)CC2(C#N)CC2)cc(-c2nnn[n-]2)c1 ZINC001592018431 1173773277 /nfs/dbraw/zinc/77/32/77/1173773277.db2.gz VSVZMUHIXQFPMM-UHFFFAOYSA-N -1 3 282.307 1.808 20 30 CDEDHM Cc1cc(NC(=O)CC2(C#N)CC2)cc(-c2nn[n-]n2)c1 ZINC001592018431 1173773285 /nfs/dbraw/zinc/77/32/85/1173773285.db2.gz VSVZMUHIXQFPMM-UHFFFAOYSA-N -1 3 282.307 1.808 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N1CC[C@](C)(C#N)C1 ZINC001592098008 1173800234 /nfs/dbraw/zinc/80/02/34/1173800234.db2.gz SMHAWEHNRBBRPP-OAHLLOKOSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N1CC[C@](C)(C#N)C1 ZINC001592098008 1173800239 /nfs/dbraw/zinc/80/02/39/1173800239.db2.gz SMHAWEHNRBBRPP-OAHLLOKOSA-N -1 3 296.334 1.551 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)c1cccs1 ZINC001592340924 1173862853 /nfs/dbraw/zinc/86/28/53/1173862853.db2.gz LZWGBVIXZQPGTG-UHFFFAOYSA-N -1 3 299.319 1.188 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)c1cccs1 ZINC001592340924 1173862858 /nfs/dbraw/zinc/86/28/58/1173862858.db2.gz 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C[C@@H](C#N)CN(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554527356 334435581 /nfs/dbraw/zinc/43/55/81/334435581.db2.gz YFNMNLXBBKTVOY-JTQLQIEISA-N -1 3 257.297 1.380 20 30 CDEDHM C=CCCCS(=O)(=O)[N-][C@@](C)(C(=O)OC)C1CC1 ZINC000578069362 335477783 /nfs/dbraw/zinc/47/77/83/335477783.db2.gz URBDEUDKFFONHI-GFCCVEGCSA-N -1 3 275.370 1.214 20 30 CDEDHM Cc1nocc1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC001414202676 1159948146 /nfs/dbraw/zinc/94/81/46/1159948146.db2.gz SNBFHYLKLINMOA-SECBINFHSA-N -1 3 291.332 1.894 20 30 CDEDHM CN1C(=O)CC[C@@H](C(=O)N[O-])[C@H]1c1cccs1 ZINC000671995022 482473121 /nfs/dbraw/zinc/47/31/21/482473121.db2.gz GQLVLZWIOPDNJY-XCBNKYQSSA-N -1 3 254.311 1.163 20 30 CDEDHM O=C(N[O-])[C@H]1CN(C(=O)c2ccco2)c2ccccc2O1 ZINC000671997940 482482520 /nfs/dbraw/zinc/48/25/20/482482520.db2.gz UEKPZZSECXJZMG-GFCCVEGCSA-N -1 3 288.259 1.193 20 30 CDEDHM C=C(C)CN(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000679273978 483322106 /nfs/dbraw/zinc/32/21/06/483322106.db2.gz GHXNPRWIEVMLFE-UHFFFAOYSA-N -1 3 262.309 1.157 20 30 CDEDHM N#Cc1cc(Oc2ccc(CC(=O)N[O-])cc2)ccn1 ZINC000671995588 483639827 /nfs/dbraw/zinc/63/98/27/483639827.db2.gz HHCVQZVDASSQNF-UHFFFAOYSA-N -1 3 269.260 1.793 20 30 CDEDHM C[C@@H]1C[C@H](CNC(=O)c2csc(=O)[n-]2)CCO1 ZINC000329963694 533828842 /nfs/dbraw/zinc/82/88/42/533828842.db2.gz UCHMOUJCYDGYKO-HTQZYQBOSA-N -1 3 256.327 1.968 20 30 CDEDHM COc1ccc(OC)c(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354462703 534228421 /nfs/dbraw/zinc/22/84/21/534228421.db2.gz IEDVIZASQCJQIW-LBPRGKRZSA-N -1 3 283.287 1.984 20 30 CDEDHM Cc1cc(C[N-]S(=O)(=O)Cc2cccc(C#N)c2)on1 ZINC000069622580 518187191 /nfs/dbraw/zinc/18/71/91/518187191.db2.gz PSTJHIGUPUJGFK-UHFFFAOYSA-N -1 3 291.332 1.474 20 30 CDEDHM CCN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188476491 521595448 /nfs/dbraw/zinc/59/54/48/521595448.db2.gz QLWMQUJIWIHPQO-CQSZACIVSA-N -1 3 287.363 1.868 20 30 CDEDHM N#CCCOCCN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601068110 1174727168 /nfs/dbraw/zinc/72/71/68/1174727168.db2.gz 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ZINC000771198734 575556771 /nfs/dbraw/zinc/55/67/71/575556771.db2.gz DDZITFZYLCGSPA-UHFFFAOYSA-N -1 3 269.717 1.601 20 30 CDEDHM CC[C@@H](C#N)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736310204 575618457 /nfs/dbraw/zinc/61/84/57/575618457.db2.gz WJITXUNJBPWONC-LBPRGKRZSA-N -1 3 284.323 1.218 20 30 CDEDHM CC[C@@H](C#N)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736310204 575618461 /nfs/dbraw/zinc/61/84/61/575618461.db2.gz WJITXUNJBPWONC-LBPRGKRZSA-N -1 3 284.323 1.218 20 30 CDEDHM N#Cc1ccc(CCC(=O)[N-]OC2CCOCC2)cc1 ZINC000772725162 575744359 /nfs/dbraw/zinc/74/43/59/575744359.db2.gz UTOGVKFCBKGUFV-UHFFFAOYSA-N -1 3 274.320 1.718 20 30 CDEDHM COC(=O)[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737586720 575997542 /nfs/dbraw/zinc/99/75/42/575997542.db2.gz FFTNLTNBRZJIMG-OLZOCXBDSA-N -1 3 288.303 1.179 20 30 CDEDHM N#CCCCCNC(=O)CNc1ccc(-c2nnn[n-]2)cc1 ZINC000737688395 576007898 /nfs/dbraw/zinc/00/78/98/576007898.db2.gz SQPAYYHSACTHCM-UHFFFAOYSA-N -1 3 299.338 1.089 20 30 CDEDHM N#CCCCCNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737688395 576007899 /nfs/dbraw/zinc/00/78/99/576007899.db2.gz SQPAYYHSACTHCM-UHFFFAOYSA-N -1 3 299.338 1.089 20 30 CDEDHM N#Cc1ccc([C@@H](NC[C@H]2CCCO2)C(=O)[O-])cc1 ZINC000739108210 576165480 /nfs/dbraw/zinc/16/54/80/576165480.db2.gz USVVSPXAABUSFX-CHWSQXEVSA-N -1 3 260.293 1.453 20 30 CDEDHM CCOc1ccc(/C=N/Cc2ncn(C)n2)c([O-])c1 ZINC000768269849 576267773 /nfs/dbraw/zinc/26/77/73/576267773.db2.gz RFMQNMRFIMWGLJ-VGOFMYFVSA-N -1 3 260.297 1.539 20 30 CDEDHM C#CCSCCNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000740147835 576431024 /nfs/dbraw/zinc/43/10/24/576431024.db2.gz FKWLQPMMDPLYFT-UHFFFAOYSA-N -1 3 279.317 1.217 20 30 CDEDHM Cc1nc(C([O-])=C(C#N)c2ccncn2)c2ccccn12 ZINC000760341367 576477915 /nfs/dbraw/zinc/47/79/15/576477915.db2.gz QYRJDYJBZDFHTP-NSHDSACASA-N -1 3 277.287 1.923 20 30 CDEDHM CN1CCC(=N[N-]c2ncnc3sccc32)C1=O ZINC000761778548 576593290 /nfs/dbraw/zinc/59/32/90/576593290.db2.gz VICYCKNUNBHKKI-UHFFFAOYSA-N -1 3 261.310 1.321 20 30 CDEDHM O=C1CN(N=Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)[N-]1 ZINC000744810124 576699250 /nfs/dbraw/zinc/69/92/50/576699250.db2.gz LPSNEWMXSPDKMA-UHFFFAOYSA-N -1 3 282.643 1.134 20 30 CDEDHM CCc1nn(C)c(CC)c1C=[NH+][N-]c1ncnc2[n-]cnc21 ZINC000755660672 576954189 /nfs/dbraw/zinc/95/41/89/576954189.db2.gz IWOFUNZKDGHWKK-UHFFFAOYSA-N -1 3 298.354 1.657 20 30 CDEDHM C[C@H](OC(=O)c1ccc(F)cc1[O-])C(=O)N(C)CCC#N ZINC000750170924 576980227 /nfs/dbraw/zinc/98/02/27/576980227.db2.gz XKTLDAWKXVFKKD-VIFPVBQESA-N -1 3 294.282 1.449 20 30 CDEDHM CC(C)c1ncc(C=NN2CC(=O)[N-]C2=O)s1 ZINC000758374719 577102766 /nfs/dbraw/zinc/10/27/66/577102766.db2.gz WGNJOIHJYOICHA-UHFFFAOYSA-N -1 3 252.299 1.152 20 30 CDEDHM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)[N-]OCC(F)F ZINC000759328269 577169035 /nfs/dbraw/zinc/16/90/35/577169035.db2.gz PGWYOPBSCCRRNS-UHFFFAOYSA-N -1 3 299.277 1.521 20 30 CDEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccoc1 ZINC000819773915 607253008 /nfs/dbraw/zinc/25/30/08/607253008.db2.gz XGOPYMDDEYJGGP-UHFFFAOYSA-N -1 3 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284.323 1.250 20 30 CDEDHM C#CCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819697418 599441476 /nfs/dbraw/zinc/44/14/76/599441476.db2.gz DUDSOZHKLIEWHF-JTQLQIEISA-N -1 3 284.323 1.250 20 30 CDEDHM CC[C@@H](C(=O)[O-])N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000828603786 601005833 /nfs/dbraw/zinc/00/58/33/601005833.db2.gz OZSMJZUQPGRZNN-LSDHHAIUSA-N -1 3 287.363 1.732 20 30 CDEDHM Cn1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000833054868 601307375 /nfs/dbraw/zinc/30/73/75/601307375.db2.gz AFAIHPPTPFDMSQ-CQSZACIVSA-N -1 3 269.304 1.812 20 30 CDEDHM C[C@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1C(=O)[O-] ZINC000251633701 601512461 /nfs/dbraw/zinc/51/24/61/601512461.db2.gz FNJVMYKBYXSIHL-JOYOIKCWSA-N -1 3 262.284 1.850 20 30 CDEDHM C#CC[C@@H](CCOC)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC001602682761 1175351462 /nfs/dbraw/zinc/35/14/62/1175351462.db2.gz FOKFEJGQHHKPTQ-KRZKBDHCSA-N -1 3 277.320 1.895 20 30 CDEDHM C=CCOCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819750566 606266139 /nfs/dbraw/zinc/26/61/39/606266139.db2.gz 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1164757482 /nfs/dbraw/zinc/75/74/82/1164757482.db2.gz YDSWKNAGBABMEQ-JTQLQIEISA-N -1 3 296.334 1.269 20 30 CDEDHM C=C(C)[C@H](CO)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001609226231 1164857663 /nfs/dbraw/zinc/85/76/63/1164857663.db2.gz IYUIRQDLYAUGCX-RISCZKNCSA-N -1 3 279.336 1.738 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncncc1C#N ZINC001609278431 1164879652 /nfs/dbraw/zinc/87/96/52/1164879652.db2.gz KULCSWWBSNFITG-UHFFFAOYSA-N -1 3 292.306 1.165 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncncc1C#N ZINC001609278431 1164879655 /nfs/dbraw/zinc/87/96/55/1164879655.db2.gz KULCSWWBSNFITG-UHFFFAOYSA-N -1 3 292.306 1.165 20 30 CDEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2cc(CN(C)C)on2)n1 ZINC001647544587 1168804455 /nfs/dbraw/zinc/80/44/55/1168804455.db2.gz GDRYVUXLXNBJTE-UHFFFAOYSA-N -1 3 299.334 1.872 20 30 CDEDHM C#CC[C@@H](OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)C(C)C ZINC001588334788 1173038453 /nfs/dbraw/zinc/03/84/53/1173038453.db2.gz LLASMYABZGLQAS-CYBMUJFWSA-N -1 3 299.334 1.775 20 30 CDEDHM C#CC[C@@H](OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)C(C)C ZINC001588334788 1173038462 /nfs/dbraw/zinc/03/84/62/1173038462.db2.gz LLASMYABZGLQAS-CYBMUJFWSA-N -1 3 299.334 1.775 20 30 CDEDHM C#CCN(C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1)C1CC1 ZINC001588348199 1173045805 /nfs/dbraw/zinc/04/58/05/1173045805.db2.gz LPURRFOEXWKZFK-UHFFFAOYSA-N -1 3 297.322 1.200 20 30 CDEDHM C#CCN(C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1)C1CC1 ZINC001588348199 1173045816 /nfs/dbraw/zinc/04/58/16/1173045816.db2.gz LPURRFOEXWKZFK-UHFFFAOYSA-N -1 3 297.322 1.200 20 30 CDEDHM C#CCN(CC)C(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588350251 1173051678 /nfs/dbraw/zinc/05/16/78/1173051678.db2.gz KXEJDVDZAMNLJU-UHFFFAOYSA-N -1 3 297.362 1.508 20 30 CDEDHM C#CCN(CC)C(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588350251 1173051684 /nfs/dbraw/zinc/05/16/84/1173051684.db2.gz KXEJDVDZAMNLJU-UHFFFAOYSA-N -1 3 297.362 1.508 20 30 CDEDHM C=C[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001588515911 1173072813 /nfs/dbraw/zinc/07/28/13/1173072813.db2.gz KQLIITJXKAEDIZ-RKDXNWHRSA-N -1 3 259.313 1.797 20 30 CDEDHM C=C[C@@H](CC)CC(=O)OCc1ncc(-c2nnn[n-]2)cn1 ZINC001588526222 1173075296 /nfs/dbraw/zinc/07/52/96/1173075296.db2.gz SIJZKRQCVBAPQI-VIFPVBQESA-N -1 3 288.311 1.302 20 30 CDEDHM C=C[C@@H](CC)CC(=O)OCc1ncc(-c2nn[n-]n2)cn1 ZINC001588526222 1173075302 /nfs/dbraw/zinc/07/53/02/1173075302.db2.gz SIJZKRQCVBAPQI-VIFPVBQESA-N -1 3 288.311 1.302 20 30 CDEDHM C=CCCCNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588600688 1173086717 /nfs/dbraw/zinc/08/67/17/1173086717.db2.gz LIRBWLSYTIGBLX-UHFFFAOYSA-N -1 3 285.351 1.882 20 30 CDEDHM C=CCCCNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588600688 1173086723 /nfs/dbraw/zinc/08/67/23/1173086723.db2.gz LIRBWLSYTIGBLX-UHFFFAOYSA-N -1 3 285.351 1.882 20 30 CDEDHM C=CCO[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001588665153 1173095624 /nfs/dbraw/zinc/09/56/24/1173095624.db2.gz GKZCIVDPFIKDBW-SNVBAGLBSA-N -1 3 272.312 1.043 20 30 CDEDHM C=CCO[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001588665153 1173095630 /nfs/dbraw/zinc/09/56/30/1173095630.db2.gz GKZCIVDPFIKDBW-SNVBAGLBSA-N -1 3 272.312 1.043 20 30 CDEDHM C=CCO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC001588665959 1173096402 /nfs/dbraw/zinc/09/64/02/1173096402.db2.gz VETOJHRYIVNHAZ-CYBMUJFWSA-N -1 3 285.351 1.956 20 30 CDEDHM C=CCOCCCC(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001588682901 1173096710 /nfs/dbraw/zinc/09/67/10/1173096710.db2.gz UNNRKKVMFWWTDD-UHFFFAOYSA-N -1 3 288.311 1.183 20 30 CDEDHM C=CCOCCCC(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001588682901 1173096715 /nfs/dbraw/zinc/09/67/15/1173096715.db2.gz UNNRKKVMFWWTDD-UHFFFAOYSA-N -1 3 288.311 1.183 20 30 CDEDHM C=CCNN=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001588662843 1173097174 /nfs/dbraw/zinc/09/71/74/1173097174.db2.gz BOGDRPIMECRTPH-UHFFFAOYSA-N -1 3 269.312 1.078 20 30 CDEDHM C=CCNN=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001588662843 1173097179 /nfs/dbraw/zinc/09/71/79/1173097179.db2.gz BOGDRPIMECRTPH-UHFFFAOYSA-N -1 3 269.312 1.078 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588728487 1173102314 /nfs/dbraw/zinc/10/23/14/1173102314.db2.gz QZOQTLHDMKTLAB-JQWIXIFHSA-N -1 3 286.339 1.573 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588728487 1173102317 /nfs/dbraw/zinc/10/23/17/1173102317.db2.gz QZOQTLHDMKTLAB-JQWIXIFHSA-N -1 3 286.339 1.573 20 30 CDEDHM CC(=NOC[C@@H]1CCOC1)c1ccccc1-c1nnn[n-]1 ZINC001588781729 1173104843 /nfs/dbraw/zinc/10/48/43/1173104843.db2.gz JZHLCXHRCGWRQL-LLVKDONJSA-N -1 3 287.323 1.644 20 30 CDEDHM CC(=NOC[C@@H]1CCOC1)c1ccccc1-c1nn[n-]n1 ZINC001588781729 1173104848 /nfs/dbraw/zinc/10/48/48/1173104848.db2.gz JZHLCXHRCGWRQL-LLVKDONJSA-N -1 3 287.323 1.644 20 30 CDEDHM C[C@H](C#N)N(Cc1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001588934260 1173115745 /nfs/dbraw/zinc/11/57/45/1173115745.db2.gz HPAJVKXTKSFZBV-SECBINFHSA-N -1 3 286.314 1.882 20 30 CDEDHM C[C@@H](C#N)N(CCOc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001588934593 1173117233 /nfs/dbraw/zinc/11/72/33/1173117233.db2.gz PZALHQCGPAUXFT-NSHDSACASA-N -1 3 298.350 1.622 20 30 CDEDHM C[C@@H](C#N)N(CCOc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001588934593 1173117238 /nfs/dbraw/zinc/11/72/38/1173117238.db2.gz PZALHQCGPAUXFT-NSHDSACASA-N -1 3 298.350 1.622 20 30 CDEDHM CC(C)(C)OCCCCn1cnc(C#N)c1-c1nnn[n-]1 ZINC001589194045 1173129070 /nfs/dbraw/zinc/12/90/70/1173129070.db2.gz RCTADXFFHPZDSY-UHFFFAOYSA-N -1 3 289.343 1.530 20 30 CDEDHM C[C@H](CC#N)NN=Cc1csc(-c2nnn[n-]2)c1 ZINC001589787616 1173179619 /nfs/dbraw/zinc/17/96/19/1173179619.db2.gz MKEYQQXGZFBKAK-SSDOTTSWSA-N -1 3 261.314 1.154 20 30 CDEDHM C[C@@]1(C#N)CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590056998 1173243075 /nfs/dbraw/zinc/24/30/75/1173243075.db2.gz WCEJOBIVMVUHKC-ZDUSSCGKSA-N -1 3 299.294 1.515 20 30 CDEDHM C[C@@]1(C#N)CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590056998 1173243077 /nfs/dbraw/zinc/24/30/77/1173243077.db2.gz WCEJOBIVMVUHKC-ZDUSSCGKSA-N -1 3 299.294 1.515 20 30 CDEDHM C[C@@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)O1 ZINC001590180742 1173280186 /nfs/dbraw/zinc/28/01/86/1173280186.db2.gz ITFZCQCZEFFCOY-NXEZZACHSA-N -1 3 286.339 1.510 20 30 CDEDHM C[C@@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)O1 ZINC001590180742 1173280190 /nfs/dbraw/zinc/28/01/90/1173280190.db2.gz ITFZCQCZEFFCOY-NXEZZACHSA-N -1 3 286.339 1.510 20 30 CDEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@@H](C)C1O ZINC001590312955 1173349035 /nfs/dbraw/zinc/34/90/35/1173349035.db2.gz MWKIJRQNICGHAK-NXEZZACHSA-N -1 3 298.350 1.191 20 30 CDEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@@H](C)C1O ZINC001590312955 1173349042 /nfs/dbraw/zinc/34/90/42/1173349042.db2.gz MWKIJRQNICGHAK-NXEZZACHSA-N -1 3 298.350 1.191 20 30 CDEDHM COc1cc(C#N)ccc1Oc1cc(-c2nnn[n-]2)cnn1 ZINC001591509415 1173663852 /nfs/dbraw/zinc/66/38/52/1173663852.db2.gz WMOCZFGBLHKNHT-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM COc1cc(C#N)ccc1Oc1cc(-c2nn[n-]n2)cnn1 ZINC001591509415 1173663856 /nfs/dbraw/zinc/66/38/56/1173663856.db2.gz WMOCZFGBLHKNHT-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)c(NCC#C[C@H]2CCCCO2)n1 ZINC001592085731 1173797045 /nfs/dbraw/zinc/79/70/45/1173797045.db2.gz KEDWDCLCIQHVBZ-GFCCVEGCSA-N -1 3 298.350 1.555 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)c(NCC#C[C@H]2CCCCO2)n1 ZINC001592085731 1173797049 /nfs/dbraw/zinc/79/70/49/1173797049.db2.gz KEDWDCLCIQHVBZ-GFCCVEGCSA-N -1 3 298.350 1.555 20 30 CDEDHM Cc1ccc(CNC(=O)[C@@H](C)CC#N)cc1-c1nnn[n-]1 ZINC001592155642 1173814614 /nfs/dbraw/zinc/81/46/14/1173814614.db2.gz HKHHKKIEEKALKE-JTQLQIEISA-N -1 3 284.323 1.341 20 30 CDEDHM Cc1ccc(CNC(=O)[C@@H](C)CC#N)cc1-c1nn[n-]n1 ZINC001592155642 1173814617 /nfs/dbraw/zinc/81/46/17/1173814617.db2.gz HKHHKKIEEKALKE-JTQLQIEISA-N -1 3 284.323 1.341 20 30 CDEDHM Fc1cc(C=NO[C@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC001592638433 1173947784 /nfs/dbraw/zinc/94/77/84/1173947784.db2.gz SKOBXXDNFRIDLK-LBPRGKRZSA-N -1 3 291.286 1.883 20 30 CDEDHM Fc1cc(C=NO[C@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC001592638433 1173947789 /nfs/dbraw/zinc/94/77/89/1173947789.db2.gz SKOBXXDNFRIDLK-LBPRGKRZSA-N -1 3 291.286 1.883 20 30 CDEDHM N#CC1(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001592670943 1173960102 /nfs/dbraw/zinc/96/01/02/1173960102.db2.gz VZIWMCWRIBDRPF-NWDGAFQWSA-N -1 3 294.318 1.143 20 30 CDEDHM N#CC1(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001592670943 1173960109 /nfs/dbraw/zinc/96/01/09/1173960109.db2.gz VZIWMCWRIBDRPF-NWDGAFQWSA-N -1 3 294.318 1.143 20 30 CDEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592672584 1173964361 /nfs/dbraw/zinc/96/43/61/1173964361.db2.gz LCDKFQDCIDERMC-MWLCHTKSSA-N -1 3 298.306 1.501 20 30 CDEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592672584 1173964368 /nfs/dbraw/zinc/96/43/68/1173964368.db2.gz LCDKFQDCIDERMC-MWLCHTKSSA-N -1 3 298.306 1.501 20 30 CDEDHM N#CCCCCC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001592675516 1173966846 /nfs/dbraw/zinc/96/68/46/1173966846.db2.gz WDTRHTDEDULFGV-UHFFFAOYSA-N -1 3 298.350 1.609 20 30 CDEDHM N#CCCCCC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001592675516 1173966851 /nfs/dbraw/zinc/96/68/51/1173966851.db2.gz WDTRHTDEDULFGV-UHFFFAOYSA-N -1 3 298.350 1.609 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H](CO)CC1CC1 ZINC001592699306 1173973433 /nfs/dbraw/zinc/97/34/33/1173973433.db2.gz VRKAUEANTIUXAB-LLVKDONJSA-N -1 3 298.350 1.559 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H](CO)CC1CC1 ZINC001592699306 1173973438 /nfs/dbraw/zinc/97/34/38/1173973438.db2.gz VRKAUEANTIUXAB-LLVKDONJSA-N -1 3 298.350 1.559 20 30 CDEDHM N#Cc1nc(N)n(C[C@H]2CC3CCC2CC3)c1-c1nnn[n-]1 ZINC001592706054 1173978594 /nfs/dbraw/zinc/97/85/94/1173978594.db2.gz MQYCLWRYKKOFDL-UDNWOFFPSA-N -1 3 298.354 1.343 20 30 CDEDHM N#Cc1nc(N)n(C[C@H]2CC3CCC2CC3)c1-c1nn[n-]n1 ZINC001592706054 1173978600 /nfs/dbraw/zinc/97/86/00/1173978600.db2.gz MQYCLWRYKKOFDL-UDNWOFFPSA-N -1 3 298.354 1.343 20 30 CDEDHM N#Cc1cncc(CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001592704888 1173978953 /nfs/dbraw/zinc/97/89/53/1173978953.db2.gz XIUYXVVSTVVVPY-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM N#Cc1cncc(CSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001592704888 1173978955 /nfs/dbraw/zinc/97/89/55/1173978955.db2.gz XIUYXVVSTVVVPY-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM NC(=NOCc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC001592711019 1173981134 /nfs/dbraw/zinc/98/11/34/1173981134.db2.gz FLBPDQMZACDDFR-UHFFFAOYSA-N -1 3 284.279 1.297 20 30 CDEDHM NC(=NOCc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC001592711019 1173981140 /nfs/dbraw/zinc/98/11/40/1173981140.db2.gz FLBPDQMZACDDFR-UHFFFAOYSA-N -1 3 284.279 1.297 20 30 CDEDHM O=C(C=Cc1csnn1)c1ccccc1-c1nnn[n-]1 ZINC001592804419 1173991588 /nfs/dbraw/zinc/99/15/88/1173991588.db2.gz YUWVYNHABFQSBL-WAYWQWQTSA-N -1 3 284.304 1.614 20 30 CDEDHM O=C(C=Cc1csnn1)c1ccccc1-c1nn[n-]n1 ZINC001592804419 1173991591 /nfs/dbraw/zinc/99/15/91/1173991591.db2.gz YUWVYNHABFQSBL-WAYWQWQTSA-N -1 3 284.304 1.614 20 30 CDEDHM N#Cc1cccc(CN[C@@]2(CC(=O)[O-])CCCOC2)c1F ZINC001601123321 1174750827 /nfs/dbraw/zinc/75/08/27/1174750827.db2.gz VJGZKGICMKBXGB-OAHLLOKOSA-N -1 3 292.310 1.811 20 30 CDEDHM C#C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001602687271 1175352563 /nfs/dbraw/zinc/35/25/63/1175352563.db2.gz AXGGMIMZZWTYCH-CYBMUJFWSA-N -1 3 298.350 1.324 20 30 CDEDHM C#C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001602687271 1175352568 /nfs/dbraw/zinc/35/25/68/1175352568.db2.gz AXGGMIMZZWTYCH-CYBMUJFWSA-N -1 3 298.350 1.324 20 30 CDEDHM C#CC1(Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001602691123 1175356772 /nfs/dbraw/zinc/35/67/72/1175356772.db2.gz STKBVAYVGNFAOA-UHFFFAOYSA-N -1 3 254.297 1.620 20 30 CDEDHM C#CC1(Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001602691123 1175356779 /nfs/dbraw/zinc/35/67/79/1175356779.db2.gz STKBVAYVGNFAOA-UHFFFAOYSA-N -1 3 254.297 1.620 20 30 CDEDHM C#CC[C@H](CCOC)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001602697484 1175362906 /nfs/dbraw/zinc/36/29/06/1175362906.db2.gz NLAABWOXWMQMQE-SNVBAGLBSA-N -1 3 290.302 1.241 20 30 CDEDHM C#CC[C@H](CCOC)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001602697484 1175362910 /nfs/dbraw/zinc/36/29/10/1175362910.db2.gz NLAABWOXWMQMQE-SNVBAGLBSA-N 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/nfs/dbraw/zinc/56/97/57/1175569757.db2.gz VOEZWSNCFNKGLE-JTQLQIEISA-N -1 3 299.334 1.891 20 30 CDEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C#N ZINC001603578035 1175569763 /nfs/dbraw/zinc/56/97/63/1175569763.db2.gz VOEZWSNCFNKGLE-JTQLQIEISA-N -1 3 299.334 1.891 20 30 CDEDHM C[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603658392 1175587998 /nfs/dbraw/zinc/58/79/98/1175587998.db2.gz UKLYCYVYRVSTAD-SNVBAGLBSA-N -1 3 298.350 1.917 20 30 CDEDHM C[C@H](Nc1ccnc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001603688267 1175597111 /nfs/dbraw/zinc/59/71/11/1175597111.db2.gz SQDNXFVFQJFLKA-JTQLQIEISA-N -1 3 291.318 1.728 20 30 CDEDHM C[C@H](Nc1ccnc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001603688267 1175597118 /nfs/dbraw/zinc/59/71/18/1175597118.db2.gz SQDNXFVFQJFLKA-JTQLQIEISA-N -1 3 291.318 1.728 20 30 CDEDHM CC1(C)OCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001603794605 1175634710 /nfs/dbraw/zinc/63/47/10/1175634710.db2.gz MVLRTMRWDVAILY-UHFFFAOYSA-N -1 3 272.312 1.834 20 30 CDEDHM 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COc1ccc([C@@H]2[C@H](C(=O)N[O-])CC(=O)N2C2CC2)cc1 ZINC000671996388 482475489 /nfs/dbraw/zinc/47/54/89/482475489.db2.gz RKISVSNWPVBTRN-TZMCWYRMSA-N -1 3 290.319 1.253 20 30 CDEDHM CC(=O)c1ccc(C(=O)N(CC#N)C2CC2)cc1[O-] ZINC000667134686 483104855 /nfs/dbraw/zinc/10/48/55/483104855.db2.gz FQLGSQDGIDGDLH-UHFFFAOYSA-N -1 3 258.277 1.723 20 30 CDEDHM C=CCCOCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000675708331 483354986 /nfs/dbraw/zinc/35/49/86/483354986.db2.gz OCYFOPPVQFEDAO-UHFFFAOYSA-N -1 3 276.296 1.904 20 30 CDEDHM C=CCCOCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000675708331 483354987 /nfs/dbraw/zinc/35/49/87/483354987.db2.gz OCYFOPPVQFEDAO-UHFFFAOYSA-N -1 3 276.296 1.904 20 30 CDEDHM C=CCCOCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000675708331 483354989 /nfs/dbraw/zinc/35/49/89/483354989.db2.gz OCYFOPPVQFEDAO-UHFFFAOYSA-N -1 3 276.296 1.904 20 30 CDEDHM C=CCCS(=O)(=O)[N-]c1ccc(OC)nc1OC ZINC000676234254 483440704 /nfs/dbraw/zinc/44/07/04/483440704.db2.gz XHIHETCJWJUGLL-UHFFFAOYSA-N -1 3 272.326 1.417 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)cn1 ZINC000339121801 526683875 /nfs/dbraw/zinc/68/38/75/526683875.db2.gz YMRPGBUXNMHLBM-MNOVXSKESA-N -1 3 269.301 1.122 20 30 CDEDHM C=C(C)C[C@@H](C)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000332709825 526695802 /nfs/dbraw/zinc/69/58/02/526695802.db2.gz YGBXUSGYXPMHMU-SNVBAGLBSA-N -1 3 261.325 1.669 20 30 CDEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000080757444 538222599 /nfs/dbraw/zinc/22/25/99/538222599.db2.gz IMNCLNVRGAPTDL-SECBINFHSA-N -1 3 257.359 1.776 20 30 CDEDHM N#CCCCC[C@H](N)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001601064578 1174724708 /nfs/dbraw/zinc/72/47/08/1174724708.db2.gz BQOQHVKKPHHILU-LBPRGKRZSA-N -1 3 295.383 1.691 20 30 CDEDHM N#CCCCCNC(=O)c1sccc1-c1nnn[n-]1 ZINC000737686780 574434788 /nfs/dbraw/zinc/43/47/88/574434788.db2.gz DIIFOQLGQUJNKD-UHFFFAOYSA-N -1 3 276.325 1.352 20 30 CDEDHM N#CCCCCNC(=O)c1sccc1-c1nn[n-]n1 ZINC000737686780 574434789 /nfs/dbraw/zinc/43/47/89/574434789.db2.gz DIIFOQLGQUJNKD-UHFFFAOYSA-N -1 3 276.325 1.352 20 30 CDEDHM COC(=O)N1CCC[C@H](/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000726429063 574498904 /nfs/dbraw/zinc/49/89/04/574498904.db2.gz ITOVFHXRKPMTFE-XVBMGZJVSA-N -1 3 294.307 1.453 20 30 CDEDHM N#Cc1cc(NC(=O)C2CC=CC2)ccc1-c1nnn[n-]1 ZINC000737704550 574588305 /nfs/dbraw/zinc/58/83/05/574588305.db2.gz KABDYNNSMDIBJO-UHFFFAOYSA-N -1 3 280.291 1.643 20 30 CDEDHM N#Cc1cc(NC(=O)C2CC=CC2)ccc1-c1nn[n-]n1 ZINC000737704550 574588306 /nfs/dbraw/zinc/58/83/06/574588306.db2.gz KABDYNNSMDIBJO-UHFFFAOYSA-N -1 3 280.291 1.643 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1cccc(OC(F)(F)F)c1 ZINC000764701513 575060554 /nfs/dbraw/zinc/06/05/54/575060554.db2.gz PSULJSLARDSGIM-UHFFFAOYSA-N -1 3 296.270 1.858 20 30 CDEDHM CCN(CCC#N)C(=O)COC(=O)c1cc([O-])cs1 ZINC000732355002 575088218 /nfs/dbraw/zinc/08/82/18/575088218.db2.gz ZHQKRLHRKQTWHQ-UHFFFAOYSA-N -1 3 282.321 1.373 20 30 CDEDHM Cc1ncc(CO)c(/C=N\CCC(=O)OC(C)C)c1[O-] ZINC000732769818 575095542 /nfs/dbraw/zinc/09/55/42/575095542.db2.gz OQIGRACEJMXWCW-CHHVJCJISA-N -1 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SKNAUQGLLQITNX-JTQLQIEISA-N -1 3 287.323 1.247 20 30 CDEDHM C=CCOCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735437897 575468284 /nfs/dbraw/zinc/46/82/84/575468284.db2.gz SKNAUQGLLQITNX-JTQLQIEISA-N -1 3 287.323 1.247 20 30 CDEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=CC1CCOCC1 ZINC000770868536 575512410 /nfs/dbraw/zinc/51/24/10/575512410.db2.gz LSPHNTNMNJQMKF-ZZKXABKFSA-N -1 3 287.319 1.294 20 30 CDEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=CC1CCOCC1 ZINC000770868536 575512412 /nfs/dbraw/zinc/51/24/12/575512412.db2.gz LSPHNTNMNJQMKF-ZZKXABKFSA-N -1 3 287.319 1.294 20 30 CDEDHM Cc1ncc(CO)c(C=NO[C@H]2CCCCO2)c1[O-] ZINC000755816559 575546055 /nfs/dbraw/zinc/54/60/55/575546055.db2.gz HAWKHEKDNJWHQM-LBPRGKRZSA-N -1 3 266.297 1.465 20 30 CDEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)C#N ZINC000736479908 575673568 /nfs/dbraw/zinc/67/35/68/575673568.db2.gz LVWXKBILGPLNPR-NSHDSACASA-N -1 3 298.350 1.765 20 30 CDEDHM COc1c([O-])c(CN=Nc2ncccn2)ccc1[N+](=O)[O-] ZINC000773035617 575776016 /nfs/dbraw/zinc/77/60/16/575776016.db2.gz TZTBEPUARKIBEX-UHFFFAOYSA-N -1 3 289.251 1.545 20 30 CDEDHM CCC(=N[N-]S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000773070372 575779202 /nfs/dbraw/zinc/77/92/02/575779202.db2.gz ZKIADIYQEMJAAU-UHFFFAOYSA-N -1 3 251.311 1.222 20 30 CDEDHM C#Cc1cccc(NC(=O)c2ccc3[n-]c(=O)nc-3[nH]2)c1 ZINC000773751100 575837685 /nfs/dbraw/zinc/83/76/85/575837685.db2.gz YDDSCOOWALYUJA-UHFFFAOYSA-N -1 3 278.271 1.897 20 30 CDEDHM C#CCN(C(=O)c1cc2c(cc1[O-])OCO2)C1CC1 ZINC000764447294 575908076 /nfs/dbraw/zinc/90/80/76/575908076.db2.gz PPKTXCPHSCLJAK-UHFFFAOYSA-N -1 3 259.261 1.359 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000764703749 575935922 /nfs/dbraw/zinc/93/59/22/575935922.db2.gz GWYORXXKHVCIQN-UHFFFAOYSA-N -1 3 280.271 1.979 20 30 CDEDHM [O-]c1ccccc1/C=N/CC1(N2CCOCC2)CC1 ZINC000765970365 576067412 /nfs/dbraw/zinc/06/74/12/576067412.db2.gz KRESETOPLIXOHE-LFIBNONCSA-N -1 3 260.337 1.676 20 30 CDEDHM CC(C)C[C@H](C#N)[N-]C(=O)C(F)(F)C1(O)CCC1 ZINC000767389203 576187659 /nfs/dbraw/zinc/18/76/59/576187659.db2.gz JJKFHDXWRCBBAX-SECBINFHSA-N -1 3 260.284 1.591 20 30 CDEDHM CCOc1ccc(C=NN2CC(=O)N(C)C2=O)c([O-])c1 ZINC000768382804 576278255 /nfs/dbraw/zinc/27/82/55/576278255.db2.gz VWUVXEMJIBUAEN-UHFFFAOYSA-N -1 3 277.280 1.019 20 30 CDEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC(O)CC1 ZINC000761800921 576593950 /nfs/dbraw/zinc/59/39/50/576593950.db2.gz RFFHYAMCODBWCI-UHFFFAOYSA-N -1 3 282.365 1.397 20 30 CDEDHM Cc1ccc([N-]N=C2CCN(Cc3ccccc3)C2=O)nn1 ZINC000743439889 576639909 /nfs/dbraw/zinc/63/99/09/576639909.db2.gz QMMYVOGRBGPWCV-UHFFFAOYSA-N -1 3 295.346 1.985 20 30 CDEDHM C=CCn1c(=O)[n-]nc1SC[C@@H]1CC2(CC2)C(=O)O1 ZINC000762959812 576696471 /nfs/dbraw/zinc/69/64/71/576696471.db2.gz AJZUJQMIQLOTFN-QMMMGPOBSA-N -1 3 281.337 1.358 20 30 CDEDHM CC[C@]1(C)NC(=O)N(N=Cc2ccc([O-])c(F)c2)C1=O ZINC000755556733 576949529 /nfs/dbraw/zinc/94/95/29/576949529.db2.gz XOPKHXMPOSLPCR-ZDUSSCGKSA-N -1 3 279.271 1.586 20 30 CDEDHM [O-]c1c(F)cccc1CN=Nc1ccc(-n2cccn2)nn1 ZINC000755658544 576954147 /nfs/dbraw/zinc/95/41/47/576954147.db2.gz WRVNQWWABQQZGM-UHFFFAOYSA-N -1 3 298.281 1.953 20 30 CDEDHM C(=[NH+][N-]c1ncnc2[n-]cnc21)c1cnc2ccccn12 ZINC000755661397 576954160 /nfs/dbraw/zinc/95/41/60/576954160.db2.gz PBGZMRDBIAKHGX-UHFFFAOYSA-N -1 3 278.279 1.447 20 30 CDEDHM Cc1[nH]cnc1C=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000755753962 576959226 /nfs/dbraw/zinc/95/92/26/576959226.db2.gz OPRFHTZRGYAZJT-UHFFFAOYSA-N -1 3 292.364 1.214 20 30 CDEDHM [O-]c1c(O)ccc(C=NO[C@@H]2CCCCO2)c1O ZINC000755819728 576963253 /nfs/dbraw/zinc/96/32/53/576963253.db2.gz VDJTYYYZORSEAB-SNVBAGLBSA-N -1 3 253.254 1.681 20 30 CDEDHM N#Cc1ccc(C(=O)OC2CCN(CC(F)F)CC2)[n-]1 ZINC000755852475 576964767 /nfs/dbraw/zinc/96/47/67/576964767.db2.gz OHJQCPJZENNQHH-UHFFFAOYSA-N -1 3 283.278 1.773 20 30 CDEDHM N#CCN1CCC(C[N-]C(=O)C(F)(F)C(F)F)CC1 ZINC000756952448 577016642 /nfs/dbraw/zinc/01/66/42/577016642.db2.gz XMTDQPKZCGAFQG-UHFFFAOYSA-N -1 3 281.253 1.239 20 30 CDEDHM C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000817675364 597000763 /nfs/dbraw/zinc/00/07/63/597000763.db2.gz RYGJXEFJJMQLIE-NSHDSACASA-N -1 3 256.346 1.206 20 30 CDEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCC2(C#N)CC2)n1 ZINC000826324041 608330812 /nfs/dbraw/zinc/33/08/12/608330812.db2.gz BUKKUEDVXOJUDQ-UHFFFAOYSA-N -1 3 287.352 1.669 20 30 CDEDHM Cc1nc(C)c(-c2nn[n-]n2)c(SCC2(C#N)CC2)n1 ZINC000826324041 608330814 /nfs/dbraw/zinc/33/08/14/608330814.db2.gz BUKKUEDVXOJUDQ-UHFFFAOYSA-N -1 3 287.352 1.669 20 30 CDEDHM Cc1c(NC(=O)CSCC#N)cccc1-c1nnn[n-]1 ZINC000822075987 607296052 /nfs/dbraw/zinc/29/60/52/607296052.db2.gz KNUIVLKBPVTQII-UHFFFAOYSA-N -1 3 288.336 1.370 20 30 CDEDHM Cc1c(NC(=O)CSCC#N)cccc1-c1nn[n-]n1 ZINC000822075987 607296053 /nfs/dbraw/zinc/29/60/53/607296053.db2.gz KNUIVLKBPVTQII-UHFFFAOYSA-N -1 3 288.336 1.370 20 30 CDEDHM C#CC(C)(C)NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001602689897 1175354249 /nfs/dbraw/zinc/35/42/49/1175354249.db2.gz OFXVGBUTLPLAHL-UHFFFAOYSA-N -1 3 273.271 1.147 20 30 CDEDHM C#CC(C)(C)NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001602689897 1175354258 /nfs/dbraw/zinc/35/42/58/1175354258.db2.gz OFXVGBUTLPLAHL-UHFFFAOYSA-N -1 3 273.271 1.147 20 30 CDEDHM C#CCNc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001602724298 1175374410 /nfs/dbraw/zinc/37/44/10/1175374410.db2.gz CGVKGOOVTQDTKP-UHFFFAOYSA-N -1 3 296.103 1.813 20 30 CDEDHM C#CCNc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001602724298 1175374415 /nfs/dbraw/zinc/37/44/15/1175374415.db2.gz CGVKGOOVTQDTKP-UHFFFAOYSA-N -1 3 296.103 1.813 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822802284 606301125 /nfs/dbraw/zinc/30/11/25/606301125.db2.gz YUQVYZFQQHPUDG-CHWSQXEVSA-N -1 3 296.334 1.218 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822802284 606301126 /nfs/dbraw/zinc/30/11/26/606301126.db2.gz YUQVYZFQQHPUDG-CHWSQXEVSA-N -1 3 296.334 1.218 20 30 CDEDHM N#CC1(NC(=O)c2cc(-c3nnn[n-]3)cs2)CCCC1 ZINC000822801495 606570857 /nfs/dbraw/zinc/57/08/57/606570857.db2.gz KCLZVULRUWIRHB-UHFFFAOYSA-N -1 3 288.336 1.494 20 30 CDEDHM N#CC1(NC(=O)c2cc(-c3nn[n-]n3)cs2)CCCC1 ZINC000822801495 606570858 /nfs/dbraw/zinc/57/08/58/606570858.db2.gz KCLZVULRUWIRHB-UHFFFAOYSA-N -1 3 288.336 1.494 20 30 CDEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819898079 606641217 /nfs/dbraw/zinc/64/12/17/606641217.db2.gz CKKXAJHOUMRODU-VIFPVBQESA-N -1 3 290.352 1.596 20 30 CDEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819898079 606641218 /nfs/dbraw/zinc/64/12/18/606641218.db2.gz CKKXAJHOUMRODU-VIFPVBQESA-N -1 3 290.352 1.596 20 30 CDEDHM C#CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000823838842 607822381 /nfs/dbraw/zinc/82/23/81/607822381.db2.gz VSHAFGBWLMLUHF-UHFFFAOYSA-N -1 3 271.280 1.226 20 30 CDEDHM C#CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000823838842 607822382 /nfs/dbraw/zinc/82/23/82/607822382.db2.gz VSHAFGBWLMLUHF-UHFFFAOYSA-N -1 3 271.280 1.226 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1OC[C@H](C#N)CCC#N ZINC000826278627 607877185 /nfs/dbraw/zinc/87/71/85/607877185.db2.gz MBBBFQRBWWBDJL-NSHDSACASA-N -1 3 282.307 1.997 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1OC[C@H](C#N)CCC#N ZINC000826278627 607877186 /nfs/dbraw/zinc/87/71/86/607877186.db2.gz MBBBFQRBWWBDJL-NSHDSACASA-N -1 3 282.307 1.997 20 30 CDEDHM Cn1cncc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826365601 607886343 /nfs/dbraw/zinc/88/63/43/607886343.db2.gz VAKIHMIWCRSNJI-UHFFFAOYSA-N -1 3 268.284 1.046 20 30 CDEDHM COc1ccc(C#N)cc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000826186704 608154093 /nfs/dbraw/zinc/15/40/93/608154093.db2.gz HMXOKLGCYWMGLC-UHFFFAOYSA-N -1 3 280.291 1.597 20 30 CDEDHM COc1ccc(C#N)cc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000826186704 608154094 /nfs/dbraw/zinc/15/40/94/608154094.db2.gz HMXOKLGCYWMGLC-UHFFFAOYSA-N -1 3 280.291 1.597 20 30 CDEDHM COC[C@@H](C)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000826149841 609306012 /nfs/dbraw/zinc/30/60/12/609306012.db2.gz QFFSFYBKUYKOQS-SECBINFHSA-N -1 3 299.338 1.306 20 30 CDEDHM COC[C@@H](C)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000826149841 609306014 /nfs/dbraw/zinc/30/60/14/609306014.db2.gz QFFSFYBKUYKOQS-SECBINFHSA-N -1 3 299.338 1.306 20 30 CDEDHM C=CCNc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000823925958 609482623 /nfs/dbraw/zinc/48/26/23/609482623.db2.gz SLFGOSOYHDHWMJ-UHFFFAOYSA-N -1 3 275.312 1.490 20 30 CDEDHM C=CCNc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000823925958 609482625 /nfs/dbraw/zinc/48/26/25/609482625.db2.gz SLFGOSOYHDHWMJ-UHFFFAOYSA-N -1 3 275.312 1.490 20 30 CDEDHM C[C@@]1(C#N)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000824777468 609600600 /nfs/dbraw/zinc/60/06/00/609600600.db2.gz IWUKELLFNLYZSI-ZDUSSCGKSA-N -1 3 269.312 1.392 20 30 CDEDHM C[C@@]1(C#N)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000824777468 609600601 /nfs/dbraw/zinc/60/06/01/609600601.db2.gz IWUKELLFNLYZSI-ZDUSSCGKSA-N -1 3 269.312 1.392 20 30 CDEDHM C=CCOCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823926019 609605759 /nfs/dbraw/zinc/60/57/59/609605759.db2.gz VZADKBUCNDPWBQ-UHFFFAOYSA-N -1 3 288.311 1.191 20 30 CDEDHM C=CCOCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823926019 609605761 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ZINC000894372792 618829317 /nfs/dbraw/zinc/82/93/17/618829317.db2.gz MPGJMSBDSBAKOU-JTQLQIEISA-N -1 3 269.308 1.684 20 30 CDEDHM O=C1[C@@H](NCc2ccncc2Cl)CCCN1[O-] ZINC000895158387 619375122 /nfs/dbraw/zinc/37/51/22/619375122.db2.gz ZNDYDHDIPFBBAS-JTQLQIEISA-N -1 3 255.705 1.205 20 30 CDEDHM N#Cc1ccc(CN[C@H]2CCCN([O-])C2=O)cc1F ZINC000895159680 619376195 /nfs/dbraw/zinc/37/61/95/619376195.db2.gz XBFBWOJFRYPJCQ-LBPRGKRZSA-N -1 3 263.272 1.167 20 30 CDEDHM O=C1[C@H](NCc2cc(Cl)cs2)CCCN1[O-] ZINC000895161200 619380272 /nfs/dbraw/zinc/38/02/72/619380272.db2.gz QTXSRUPTGRJOQW-SECBINFHSA-N -1 3 260.746 1.871 20 30 CDEDHM C=CC[C@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccccc1 ZINC000898739765 621858161 /nfs/dbraw/zinc/85/81/61/621858161.db2.gz MKFUCLLEOORHDR-CABCVRRESA-N -1 3 299.374 1.975 20 30 CDEDHM C=CC[C@@H]1CCCC[C@H]1NCc1cn(CC(=O)[O-])nn1 ZINC000902350659 624715133 /nfs/dbraw/zinc/71/51/33/624715133.db2.gz NOISXYZFUVODBO-DGCLKSJQSA-N -1 3 278.356 1.587 20 30 CDEDHM CC(=O)N[C@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904187928 626206360 /nfs/dbraw/zinc/20/63/60/626206360.db2.gz XFPNYBPQFQRVHM-MRVPVSSYSA-N -1 3 270.716 1.582 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H](NC(=O)OCC)C(C)C ZINC000904208741 626213442 /nfs/dbraw/zinc/21/34/42/626213442.db2.gz JLHQSOQFLSMJMI-JTQLQIEISA-N -1 3 260.334 1.775 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000904210278 626214390 /nfs/dbraw/zinc/21/43/90/626214390.db2.gz KDNKWMSBUPETJG-LLVKDONJSA-N -1 3 289.339 1.919 20 30 CDEDHM C=CCC[C@H](NC(=O)[C@@H]1CCCN1C(C)C)C(=O)[O-] ZINC000909716501 628644331 /nfs/dbraw/zinc/64/43/31/628644331.db2.gz RZOFGYGTEXADKB-RYUDHWBXSA-N -1 3 268.357 1.395 20 30 CDEDHM CC(C)C#CC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC000910047834 628844725 /nfs/dbraw/zinc/84/47/25/628844725.db2.gz QIAZBISZFDJYMN-UHFFFAOYSA-N -1 3 269.308 1.388 20 30 CDEDHM CC(C)C#CC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC000910047834 628844727 /nfs/dbraw/zinc/84/47/27/628844727.db2.gz QIAZBISZFDJYMN-UHFFFAOYSA-N -1 3 269.308 1.388 20 30 CDEDHM C#CCC[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000914110743 631036137 /nfs/dbraw/zinc/03/61/37/631036137.db2.gz OISFZHTURAYYMM-UHFFFAOYSA-N -1 3 275.276 1.275 20 30 CDEDHM C=CCn1c(=O)[n-]nc1S[C@@H](C)c1ncccn1 ZINC000917217739 632175666 /nfs/dbraw/zinc/17/56/66/632175666.db2.gz NLDACJWUBFGHCJ-QMMMGPOBSA-N -1 3 263.326 1.813 20 30 CDEDHM CCOC(=O)[C@@H](C#N)[N-]c1ccc(C(=O)OC)c(F)c1F ZINC001170371850 1162342305 /nfs/dbraw/zinc/34/23/05/1162342305.db2.gz ZEAQYIWUNRWEKX-SECBINFHSA-N -1 3 298.245 1.619 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1NCCO[C@@H](C)C#N ZINC001605176703 1163477552 /nfs/dbraw/zinc/47/75/52/1163477552.db2.gz YVHAMODEIIZSGI-VIFPVBQESA-N -1 3 288.311 1.216 20 30 CDEDHM COc1ccc(CN2CCC[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001605275282 1163511044 /nfs/dbraw/zinc/51/10/44/1163511044.db2.gz ICYSGFIRJJAXGS-GFCCVEGCSA-N -1 3 298.350 1.611 20 30 CDEDHM COc1ccc(CN2CCC[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001605275282 1163511051 /nfs/dbraw/zinc/51/10/51/1163511051.db2.gz ICYSGFIRJJAXGS-GFCCVEGCSA-N -1 3 298.350 1.611 20 30 CDEDHM N#CC1(CNC(=O)c2cscc2-c2nnn[n-]2)CCC1 ZINC001606344042 1163869650 /nfs/dbraw/zinc/86/96/50/1163869650.db2.gz WIXQHIHOLAELLV-UHFFFAOYSA-N -1 3 288.336 1.352 20 30 CDEDHM N#CC1(CNC(=O)c2cscc2-c2nn[n-]n2)CCC1 ZINC001606344042 1163869656 /nfs/dbraw/zinc/86/96/56/1163869656.db2.gz WIXQHIHOLAELLV-UHFFFAOYSA-N -1 3 288.336 1.352 20 30 CDEDHM N#CCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001606349427 1163873905 /nfs/dbraw/zinc/87/39/05/1163873905.db2.gz MMTPNQNSQJNGDP-UHFFFAOYSA-N -1 3 297.322 1.779 20 30 CDEDHM N#CCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001606349427 1163873913 /nfs/dbraw/zinc/87/39/13/1163873913.db2.gz MMTPNQNSQJNGDP-UHFFFAOYSA-N -1 3 297.322 1.779 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1C=CCC1 ZINC001606379546 1163881871 /nfs/dbraw/zinc/88/18/71/1163881871.db2.gz CXCKIXXUJDVOJU-JTQLQIEISA-N -1 3 252.281 1.869 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1C=CCC1 ZINC001606379546 1163881879 /nfs/dbraw/zinc/88/18/79/1163881879.db2.gz CXCKIXXUJDVOJU-JTQLQIEISA-N -1 3 252.281 1.869 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1cncc(F)c1 ZINC001606379706 1163883181 /nfs/dbraw/zinc/88/31/81/1163883181.db2.gz JMRILIMLSMBXAL-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1cncc(F)c1 ZINC001606379706 1163883186 /nfs/dbraw/zinc/88/31/86/1163883186.db2.gz JMRILIMLSMBXAL-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@H]1C1CC1 ZINC001606379681 1163883600 /nfs/dbraw/zinc/88/36/00/1163883600.db2.gz INDODMREYPEKDP-NWDGAFQWSA-N -1 3 266.308 1.949 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@H]1C1CC1 ZINC001606379681 1163883610 /nfs/dbraw/zinc/88/36/10/1163883610.db2.gz INDODMREYPEKDP-NWDGAFQWSA-N -1 3 266.308 1.949 20 30 CDEDHM C=CCCCNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609054912 1164749003 /nfs/dbraw/zinc/74/90/03/1164749003.db2.gz LEWUMDIFVADDCR-UHFFFAOYSA-N -1 3 271.324 1.492 20 30 CDEDHM C=CCO[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001609058657 1164751136 /nfs/dbraw/zinc/75/11/36/1164751136.db2.gz MMAVSAIZCNOSPJ-SNVBAGLBSA-N -1 3 290.302 1.182 20 30 CDEDHM C=CCO[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001609058657 1164751139 /nfs/dbraw/zinc/75/11/39/1164751139.db2.gz MMAVSAIZCNOSPJ-SNVBAGLBSA-N -1 3 290.302 1.182 20 30 CDEDHM CC(N=Nc1cnccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609061351 1164753324 /nfs/dbraw/zinc/75/33/24/1164753324.db2.gz YOLNTINGHWFLIP-UHFFFAOYSA-N -1 3 280.295 1.493 20 30 CDEDHM CC(N=Nc1cnccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609061351 1164753327 /nfs/dbraw/zinc/75/33/27/1164753327.db2.gz YOLNTINGHWFLIP-UHFFFAOYSA-N -1 3 280.295 1.493 20 30 CDEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N1CC[C@@](F)(C#N)C1 ZINC001609140141 1164790418 /nfs/dbraw/zinc/79/04/18/1164790418.db2.gz FZQMHUVAPCXFGN-QMTHXVAHSA-N -1 3 286.314 1.865 20 30 CDEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N1CC[C@@](F)(C#N)C1 ZINC001609140141 1164790428 /nfs/dbraw/zinc/79/04/28/1164790428.db2.gz FZQMHUVAPCXFGN-QMTHXVAHSA-N -1 3 286.314 1.865 20 30 CDEDHM C=C[C@H](N[C@H](CC)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001609266820 1164873960 /nfs/dbraw/zinc/87/39/60/1164873960.db2.gz DBZHDMXGQPZVKH-NEPJUHHUSA-N -1 3 298.364 1.014 20 30 CDEDHM N#Cc1ccc(CNc2nnccc2-c2nnn[n-]2)s1 ZINC001581872057 1172626439 /nfs/dbraw/zinc/62/64/39/1172626439.db2.gz IRSHOCAIEWCGDY-UHFFFAOYSA-N -1 3 284.308 1.202 20 30 CDEDHM N#Cc1ccc(CNc2nnccc2-c2nn[n-]n2)s1 ZINC001581872057 1172626442 /nfs/dbraw/zinc/62/64/42/1172626442.db2.gz IRSHOCAIEWCGDY-UHFFFAOYSA-N -1 3 284.308 1.202 20 30 CDEDHM N#Cc1ccc(CNc2ncncc2-c2nnn[n-]2)cc1F ZINC001581872170 1172626629 /nfs/dbraw/zinc/62/66/29/1172626629.db2.gz NGSBFACXEMLXDJ-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM C#C[C@@H](CC)OC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588327793 1173028148 /nfs/dbraw/zinc/02/81/48/1173028148.db2.gz QVNRASZRJXQXGS-NSHDSACASA-N -1 3 270.292 1.744 20 30 CDEDHM C#C[C@@H](CC)OC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588327793 1173028155 /nfs/dbraw/zinc/02/81/55/1173028155.db2.gz QVNRASZRJXQXGS-NSHDSACASA-N -1 3 270.292 1.744 20 30 CDEDHM C#C[C@H](NC(=O)c1cnccc1-c1nnn[n-]1)C(C)(C)C ZINC001588330240 1173032264 /nfs/dbraw/zinc/03/22/64/1173032264.db2.gz XWORGVKBVASQOF-NSHDSACASA-N -1 3 284.323 1.039 20 30 CDEDHM C#C[C@H](NC(=O)c1cnccc1-c1nn[n-]n1)C(C)(C)C ZINC001588330240 1173032271 /nfs/dbraw/zinc/03/22/71/1173032271.db2.gz XWORGVKBVASQOF-NSHDSACASA-N -1 3 284.323 1.039 20 30 CDEDHM C#CCN(C)c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001588349319 1173047544 /nfs/dbraw/zinc/04/75/44/1173047544.db2.gz MLKVWPIFMSJLFL-UHFFFAOYSA-N -1 3 293.128 1.094 20 30 CDEDHM C#CCC[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001588337396 1173039087 /nfs/dbraw/zinc/03/90/87/1173039087.db2.gz OQDDIUGMVKIZKI-MRVPVSSYSA-N -1 3 273.296 1.462 20 30 CDEDHM C#CCN(C)c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001588349319 1173047536 /nfs/dbraw/zinc/04/75/36/1173047536.db2.gz MLKVWPIFMSJLFL-UHFFFAOYSA-N -1 3 293.128 1.094 20 30 CDEDHM C#CCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588347012 1173048633 /nfs/dbraw/zinc/04/86/33/1173048633.db2.gz JSMMZNRKKKYPQK-UHFFFAOYSA-N -1 3 274.259 1.151 20 30 CDEDHM C#CCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588347012 1173048644 /nfs/dbraw/zinc/04/86/44/1173048644.db2.gz JSMMZNRKKKYPQK-UHFFFAOYSA-N -1 3 274.259 1.151 20 30 CDEDHM C=C(C)CONC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588429919 1173064808 /nfs/dbraw/zinc/06/48/08/1173064808.db2.gz ODLRHBABEIHMEB-UHFFFAOYSA-N -1 3 294.702 1.153 20 30 CDEDHM C=C(C)CONC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588429919 1173064816 /nfs/dbraw/zinc/06/48/16/1173064816.db2.gz ODLRHBABEIHMEB-UHFFFAOYSA-N -1 3 294.702 1.153 20 30 CDEDHM C=C[C@H](COC)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588525215 1173071859 /nfs/dbraw/zinc/07/18/59/1173071859.db2.gz DERJNSYQUPDCEF-SNVBAGLBSA-N -1 3 288.311 1.189 20 30 CDEDHM C=C[C@H](COC)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588525215 1173071864 /nfs/dbraw/zinc/07/18/64/1173071864.db2.gz DERJNSYQUPDCEF-SNVBAGLBSA-N -1 3 288.311 1.189 20 30 CDEDHM C=C[C@@H](COC)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588525213 1173072161 /nfs/dbraw/zinc/07/21/61/1173072161.db2.gz DERJNSYQUPDCEF-JTQLQIEISA-N -1 3 288.311 1.189 20 30 CDEDHM C=C[C@@H](COC)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588525213 1173072165 /nfs/dbraw/zinc/07/21/65/1173072165.db2.gz DERJNSYQUPDCEF-JTQLQIEISA-N -1 3 288.311 1.189 20 30 CDEDHM C=CCCCCOC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588596242 1173086422 /nfs/dbraw/zinc/08/64/22/1173086422.db2.gz KCXUECGWFWHBCU-UHFFFAOYSA-N -1 3 261.285 1.708 20 30 CDEDHM C=CCCCCOC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588596242 1173086429 /nfs/dbraw/zinc/08/64/29/1173086429.db2.gz KCXUECGWFWHBCU-UHFFFAOYSA-N -1 3 261.285 1.708 20 30 CDEDHM C=CCN(CCC#N)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001588631841 1173094175 /nfs/dbraw/zinc/09/41/75/1173094175.db2.gz CIDSPZYWMLFCPY-UHFFFAOYSA-N -1 3 286.314 1.907 20 30 CDEDHM C=CCN(CCC#N)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588631841 1173094182 /nfs/dbraw/zinc/09/41/82/1173094182.db2.gz CIDSPZYWMLFCPY-UHFFFAOYSA-N -1 3 286.314 1.907 20 30 CDEDHM CC#CC[C@H](CO)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588738091 1173101794 /nfs/dbraw/zinc/10/17/94/1173101794.db2.gz KOCDLEFHBPPEGR-SNVBAGLBSA-N -1 3 291.742 1.706 20 30 CDEDHM CC#CC[C@H](CO)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588738091 1173101796 /nfs/dbraw/zinc/10/17/96/1173101796.db2.gz KOCDLEFHBPPEGR-SNVBAGLBSA-N -1 3 291.742 1.706 20 30 CDEDHM CC(=NNC[C@@H](C)O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588777408 1173104352 /nfs/dbraw/zinc/10/43/52/1173104352.db2.gz SZBYJXFHUGFMEN-SSDOTTSWSA-N -1 3 294.746 1.215 20 30 CDEDHM CC(=NNC[C@@H](C)O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588777408 1173104361 /nfs/dbraw/zinc/10/43/61/1173104361.db2.gz SZBYJXFHUGFMEN-SSDOTTSWSA-N -1 3 294.746 1.215 20 30 CDEDHM C[C@H](C#N)CN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588931385 1173115341 /nfs/dbraw/zinc/11/53/41/1173115341.db2.gz XZKFJDYQHUIRMN-MRVPVSSYSA-N -1 3 287.283 1.371 20 30 CDEDHM CC(C)CN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001589619043 1173163180 /nfs/dbraw/zinc/16/31/80/1173163180.db2.gz DCFDYMARXJLRFE-UHFFFAOYSA-N -1 3 298.350 1.879 20 30 CDEDHM CC(C)CN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589619043 1173163182 /nfs/dbraw/zinc/16/31/82/1173163182.db2.gz DCFDYMARXJLRFE-UHFFFAOYSA-N -1 3 298.350 1.879 20 30 CDEDHM C[C@H](CC#N)OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589788417 1173182362 /nfs/dbraw/zinc/18/23/62/1173182362.db2.gz YKNTYRJXHDNKFP-SSDOTTSWSA-N -1 3 291.698 1.979 20 30 CDEDHM C[C@H](CC#N)OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589788417 1173182366 /nfs/dbraw/zinc/18/23/66/1173182366.db2.gz YKNTYRJXHDNKFP-SSDOTTSWSA-N -1 3 291.698 1.979 20 30 CDEDHM C[C@@]1(C#N)CCN(c2ccc(-c3nn[n-]n3)cc2CO)C1 ZINC001590056598 1173242140 /nfs/dbraw/zinc/24/21/40/1173242140.db2.gz NHCXIGYRGCEHOD-AWEZNQCLSA-N -1 3 284.323 1.099 20 30 CDEDHM CC1(C)COCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001590110935 1173260376 /nfs/dbraw/zinc/26/03/76/1173260376.db2.gz LKXFCWZHVUSNLL-UHFFFAOYSA-N -1 3 272.312 1.691 20 30 CDEDHM CC1(C)COCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001590110935 1173260378 /nfs/dbraw/zinc/26/03/78/1173260378.db2.gz LKXFCWZHVUSNLL-UHFFFAOYSA-N -1 3 272.312 1.691 20 30 CDEDHM CCC(N=Nc1cnccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359222 1173372246 /nfs/dbraw/zinc/37/22/46/1173372246.db2.gz UOUDOEYKYQFKDS-UHFFFAOYSA-N -1 3 294.322 1.883 20 30 CDEDHM CCC(N=Nc1cnccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359222 1173372251 /nfs/dbraw/zinc/37/22/51/1173372251.db2.gz UOUDOEYKYQFKDS-UHFFFAOYSA-N -1 3 294.322 1.883 20 30 CDEDHM CC[C@@H](C#N)C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001590367289 1173376762 /nfs/dbraw/zinc/37/67/62/1173376762.db2.gz LCKPZFRUUGYSCG-JTQLQIEISA-N -1 3 298.350 1.768 20 30 CDEDHM CC[C@@H](C#N)C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001590367289 1173376773 /nfs/dbraw/zinc/37/67/73/1173376773.db2.gz LCKPZFRUUGYSCG-JTQLQIEISA-N -1 3 298.350 1.768 20 30 CDEDHM CCC(C#N)(CC)C(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001590367776 1173376954 /nfs/dbraw/zinc/37/69/54/1173376954.db2.gz YFFYWAJDICASHX-UHFFFAOYSA-N -1 3 299.338 1.208 20 30 CDEDHM CCC(C#N)(CC)C(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001590367776 1173376962 /nfs/dbraw/zinc/37/69/62/1173376962.db2.gz YFFYWAJDICASHX-UHFFFAOYSA-N -1 3 299.338 1.208 20 30 CDEDHM CCCCN(O)C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001590601013 1173472651 /nfs/dbraw/zinc/47/26/51/1173472651.db2.gz BNORPRHLRWVJCX-UHFFFAOYSA-N -1 3 291.311 1.507 20 30 CDEDHM CCCCN(O)C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001590601013 1173472656 /nfs/dbraw/zinc/47/26/56/1173472656.db2.gz BNORPRHLRWVJCX-UHFFFAOYSA-N -1 3 291.311 1.507 20 30 CDEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC[C@@H]1C#N ZINC001591144246 1173576612 /nfs/dbraw/zinc/57/66/12/1173576612.db2.gz OPLOKTPHKIIDPG-KGLIPLIRSA-N -1 3 282.351 1.991 20 30 CDEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1(C#N)CC1 ZINC001591221519 1173592021 /nfs/dbraw/zinc/59/20/21/1173592021.db2.gz GDXNJNZKJDHUMC-UHFFFAOYSA-N -1 3 297.322 1.541 20 30 CDEDHM COCc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)no1 ZINC001591456299 1173653795 /nfs/dbraw/zinc/65/37/95/1173653795.db2.gz YVTKXKZVNCUWPM-UHFFFAOYSA-N -1 3 299.294 1.447 20 30 CDEDHM COCc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)no1 ZINC001591456299 1173653792 /nfs/dbraw/zinc/65/37/92/1173653792.db2.gz YVTKXKZVNCUWPM-UHFFFAOYSA-N -1 3 299.294 1.447 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)OC(C)(C)C#N ZINC001591485148 1173662005 /nfs/dbraw/zinc/66/20/05/1173662005.db2.gz YMTQYKFWEDYNFS-UHFFFAOYSA-N -1 3 287.279 1.334 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)OC(C)(C)C#N ZINC001591485148 1173662009 /nfs/dbraw/zinc/66/20/09/1173662009.db2.gz YMTQYKFWEDYNFS-UHFFFAOYSA-N -1 3 287.279 1.334 20 30 CDEDHM COc1cc(OCCO[C@H](C)C#N)ccc1-c1nnn[n-]1 ZINC001591553504 1173668143 /nfs/dbraw/zinc/66/81/43/1173668143.db2.gz FFSKTOKPMFFCJZ-SECBINFHSA-N -1 3 289.295 1.183 20 30 CDEDHM COc1cc(OCCO[C@H](C)C#N)ccc1-c1nn[n-]n1 ZINC001591553504 1173668147 /nfs/dbraw/zinc/66/81/47/1173668147.db2.gz FFSKTOKPMFFCJZ-SECBINFHSA-N -1 3 289.295 1.183 20 30 CDEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)C#N ZINC001591565390 1173669182 /nfs/dbraw/zinc/66/91/82/1173669182.db2.gz MAUDSHXUFYCFIO-UHFFFAOYSA-N -1 3 286.295 1.364 20 30 CDEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)C#N ZINC001591565390 1173669184 /nfs/dbraw/zinc/66/91/84/1173669184.db2.gz MAUDSHXUFYCFIO-UHFFFAOYSA-N -1 3 286.295 1.364 20 30 CDEDHM COc1ccc(CNCC(C)(C)C#N)cc1-c1nnn[n-]1 ZINC001591597621 1173671506 /nfs/dbraw/zinc/67/15/06/1173671506.db2.gz ARSKIRRXGWDWAV-UHFFFAOYSA-N -1 3 286.339 1.515 20 30 CDEDHM COc1ccc(CNCC(C)(C)C#N)cc1-c1nn[n-]n1 ZINC001591597621 1173671509 /nfs/dbraw/zinc/67/15/09/1173671509.db2.gz ARSKIRRXGWDWAV-UHFFFAOYSA-N -1 3 286.339 1.515 20 30 CDEDHM COc1ccc(Oc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001591620895 1173675724 /nfs/dbraw/zinc/67/57/24/1173675724.db2.gz AOQWURDOMJMFKQ-UHFFFAOYSA-N -1 3 294.274 1.934 20 30 CDEDHM COc1ccc(Oc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001591620895 1173675725 /nfs/dbraw/zinc/67/57/25/1173675725.db2.gz AOQWURDOMJMFKQ-UHFFFAOYSA-N -1 3 294.274 1.934 20 30 CDEDHM CSc1ccc(CNC(=O)CC#N)cc1-c1nn[n-]n1 ZINC001591710720 1173689570 /nfs/dbraw/zinc/68/95/70/1173689570.db2.gz MITMIMDUBYTWEU-UHFFFAOYSA-N -1 3 288.336 1.118 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC001591780432 1173701810 /nfs/dbraw/zinc/70/18/10/1173701810.db2.gz YERFJBQXRYTVSB-SKDRFNHKSA-N -1 3 299.338 1.268 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC001591780432 1173701815 /nfs/dbraw/zinc/70/18/15/1173701815.db2.gz YERFJBQXRYTVSB-SKDRFNHKSA-N -1 3 299.338 1.268 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)NCC1(C#N)CCCC1 ZINC001591783977 1173704192 /nfs/dbraw/zinc/70/41/92/1173704192.db2.gz SVVCDVQDISPFLI-UHFFFAOYSA-N -1 3 299.338 1.317 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)NCC1(C#N)CCCC1 ZINC001591783977 1173704200 /nfs/dbraw/zinc/70/42/00/1173704200.db2.gz SVVCDVQDISPFLI-UHFFFAOYSA-N -1 3 299.338 1.317 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N[C@@H](C#N)C(C)(C)C ZINC001591783254 1173705473 /nfs/dbraw/zinc/70/54/73/1173705473.db2.gz QKZOINYXKKJGBD-JTQLQIEISA-N -1 3 287.327 1.171 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N[C@@H](C#N)C(C)(C)C ZINC001591783254 1173705479 /nfs/dbraw/zinc/70/54/79/1173705479.db2.gz QKZOINYXKKJGBD-JTQLQIEISA-N -1 3 287.327 1.171 20 30 CDEDHM Cc1c[nH]c(CNc2c(C#N)cccc2-c2nnn[n-]2)n1 ZINC001591832838 1173712385 /nfs/dbraw/zinc/71/23/85/1173712385.db2.gz MJJQYFPPVSVHRC-UHFFFAOYSA-N -1 3 280.295 1.382 20 30 CDEDHM Cc1c[nH]c(CNc2c(C#N)cccc2-c2nn[n-]n2)n1 ZINC001591832838 1173712390 /nfs/dbraw/zinc/71/23/90/1173712390.db2.gz MJJQYFPPVSVHRC-UHFFFAOYSA-N -1 3 280.295 1.382 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)O[C@@H](C#N)C(C)C ZINC001591880735 1173737277 /nfs/dbraw/zinc/73/72/77/1173737277.db2.gz HRWOOOCZTDYCRO-JTQLQIEISA-N -1 3 286.295 1.275 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)O[C@@H](C#N)C(C)C ZINC001591880735 1173737279 /nfs/dbraw/zinc/73/72/79/1173737279.db2.gz HRWOOOCZTDYCRO-JTQLQIEISA-N -1 3 286.295 1.275 20 30 CDEDHM Cc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)ncc1-c1nnn[n-]1 ZINC001591919054 1173746196 /nfs/dbraw/zinc/74/61/96/1173746196.db2.gz PAPCEWKLSSRWHE-NSHDSACASA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)ncc1-c1nn[n-]n1 ZINC001591919054 1173746200 /nfs/dbraw/zinc/74/62/00/1173746200.db2.gz PAPCEWKLSSRWHE-NSHDSACASA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1cc(C(=O)OC[C@@H](C)C#N)cc(C)c1-c1nnn[n-]1 ZINC001591936940 1173751256 /nfs/dbraw/zinc/75/12/56/1173751256.db2.gz JLUJHVJAQBHNFC-QMMMGPOBSA-N -1 3 285.307 1.800 20 30 CDEDHM Cc1cc(C(=O)OC[C@@H](C)C#N)cc(C)c1-c1nn[n-]n1 ZINC001591936940 1173751259 /nfs/dbraw/zinc/75/12/59/1173751259.db2.gz JLUJHVJAQBHNFC-QMMMGPOBSA-N -1 3 285.307 1.800 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCC#N ZINC001592104866 1173802744 /nfs/dbraw/zinc/80/27/44/1173802744.db2.gz CCPJLENZTWBCEL-UHFFFAOYSA-N -1 3 271.284 1.210 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCC#N ZINC001592104866 1173802748 /nfs/dbraw/zinc/80/27/48/1173802748.db2.gz CCPJLENZTWBCEL-UHFFFAOYSA-N -1 3 271.284 1.210 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592603070 1173927475 /nfs/dbraw/zinc/92/74/75/1173927475.db2.gz FPCFAIVATGGVKE-DAXSKMNVSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592603070 1173927482 /nfs/dbraw/zinc/92/74/82/1173927482.db2.gz FPCFAIVATGGVKE-DAXSKMNVSA-N -1 3 280.291 1.496 20 30 CDEDHM N#C[C@H](Sc1cc(-c2nnn[n-]2)ccn1)C1CC1 ZINC001592669705 1173960772 /nfs/dbraw/zinc/96/07/72/1173960772.db2.gz RUMOLICKMQHNQW-VIFPVBQESA-N -1 3 258.310 1.656 20 30 CDEDHM N#C[C@H](Sc1cc(-c2nn[n-]n2)ccn1)C1CC1 ZINC001592669705 1173960773 /nfs/dbraw/zinc/96/07/73/1173960773.db2.gz RUMOLICKMQHNQW-VIFPVBQESA-N -1 3 258.310 1.656 20 30 CDEDHM N#CCCNC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001592678228 1173968819 /nfs/dbraw/zinc/96/88/19/1173968819.db2.gz QEFNJPSZUCMOTC-GFCCVEGCSA-N -1 3 297.322 1.067 20 30 CDEDHM N#CCCNC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592678228 1173968821 /nfs/dbraw/zinc/96/88/21/1173968821.db2.gz QEFNJPSZUCMOTC-GFCCVEGCSA-N -1 3 297.322 1.067 20 30 CDEDHM N#Cc1cc(CNc2cc(F)ccc2-c2nnn[n-]2)ccn1 ZINC001592688237 1173970637 /nfs/dbraw/zinc/97/06/37/1173970637.db2.gz JPBLYXNAIVUEKK-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cc(CNc2cc(F)ccc2-c2nn[n-]n2)ccn1 ZINC001592688237 1173970647 /nfs/dbraw/zinc/97/06/47/1173970647.db2.gz JPBLYXNAIVUEKK-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cc(N2CCc3ccc(-c4nnn[n-]4)cc32)ncn1 ZINC001592689461 1173971729 /nfs/dbraw/zinc/97/17/29/1173971729.db2.gz FUEYICJXEBOFRW-UHFFFAOYSA-N -1 3 290.290 1.223 20 30 CDEDHM N#Cc1cc(N2CCc3ccc(-c4nn[n-]n4)cc32)ncn1 ZINC001592689461 1173971734 /nfs/dbraw/zinc/97/17/34/1173971734.db2.gz FUEYICJXEBOFRW-UHFFFAOYSA-N -1 3 290.290 1.223 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1cccnc1N ZINC001592699742 1173974266 /nfs/dbraw/zinc/97/42/66/1173974266.db2.gz KNVSRPXREJQOEX-UHFFFAOYSA-N -1 3 292.306 1.328 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1cccnc1N ZINC001592699742 1173974271 /nfs/dbraw/zinc/97/42/71/1173974271.db2.gz KNVSRPXREJQOEX-UHFFFAOYSA-N -1 3 292.306 1.328 20 30 CDEDHM N#Cc1ncn(CCOCc2ccccc2)c1-c1nnn[n-]1 ZINC001592710298 1173981375 /nfs/dbraw/zinc/98/13/75/1173981375.db2.gz ULTGXLBTMFVYCN-UHFFFAOYSA-N -1 3 295.306 1.152 20 30 CDEDHM O=C(C#CC1CC1)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001592769780 1173990176 /nfs/dbraw/zinc/99/01/76/1173990176.db2.gz YNQXYVZWCDHPOI-AWEZNQCLSA-N -1 3 293.330 1.384 20 30 CDEDHM O=C(C#CC1CC1)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592769780 1173990182 /nfs/dbraw/zinc/99/01/82/1173990182.db2.gz YNQXYVZWCDHPOI-AWEZNQCLSA-N -1 3 293.330 1.384 20 30 CDEDHM Oc1cccc(C=NCc2ccc(-c3nn[n-]n3)cc2)c1O ZINC001593540184 1174111759 /nfs/dbraw/zinc/11/17/59/1174111759.db2.gz SDVXOCWQDDKAJD-SXGWCWSVSA-N -1 3 295.302 1.897 20 30 CDEDHM C#CC[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000122311889 1175240187 /nfs/dbraw/zinc/24/01/87/1175240187.db2.gz RAKFTAIBALTLRX-QMMMGPOBSA-N -1 3 285.321 1.065 20 30 CDEDHM C#C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001602696097 1175360231 /nfs/dbraw/zinc/36/02/31/1175360231.db2.gz ALBUKUJNXHGUKK-JTQLQIEISA-N -1 3 299.309 1.491 20 30 CDEDHM 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IPSOHTDPPUIUDJ-UHFFFAOYSA-N -1 3 294.314 1.561 20 30 CDEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ncn(C)n2)c1 ZINC000810530075 837276490 /nfs/dbraw/zinc/27/64/90/837276490.db2.gz UYHYZNLSYSHKQJ-NSHDSACASA-N -1 3 283.291 1.085 20 30 CDEDHM CC(=NNC[C@@H](C)C#N)c1ccc(-c2nnn[n-]2)s1 ZINC000823954050 837289183 /nfs/dbraw/zinc/28/91/83/837289183.db2.gz WWQCAIBHYZMCGH-ZETCQYMHSA-N -1 3 275.341 1.401 20 30 CDEDHM CC(=NNCCCN1CCOCC1)c1ccc([O-])cc1F ZINC000799486990 837316124 /nfs/dbraw/zinc/31/61/24/837316124.db2.gz XTHGIEOXJYLCFZ-UHFFFAOYSA-N -1 3 295.358 1.567 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc2ccccc2n1 ZINC000816756032 837878482 /nfs/dbraw/zinc/87/84/82/837878482.db2.gz OJAYLLXPGQDAKK-CYBMUJFWSA-N -1 3 285.303 1.345 20 30 CDEDHM N#C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)CCO1 ZINC000791357734 838031608 /nfs/dbraw/zinc/03/16/08/838031608.db2.gz SMKBDXAVJZYYFI-SNVBAGLBSA-N -1 3 288.328 1.971 20 30 CDEDHM Cn1cc(C=NNc2ccc(Br)nc2)c(=O)[n-]1 ZINC000814221420 838069228 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C#C[C@@H](NC(=O)c1ccc(OC)cc1[O-])[C@@H]1CCCO1 ZINC000775327029 839642439 /nfs/dbraw/zinc/64/24/39/839642439.db2.gz URQWVRORXUDUKA-OCCSQVGLSA-N -1 3 275.304 1.311 20 30 CDEDHM C=C(C)CO[N-]C(=O)CCc1nc(-c2ccoc2)no1 ZINC000846537559 839723212 /nfs/dbraw/zinc/72/32/12/839723212.db2.gz NILUVHOXUKKQSH-UHFFFAOYSA-N -1 3 277.280 1.886 20 30 CDEDHM C=CCC(C)(C)C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831124684 839770710 /nfs/dbraw/zinc/77/07/10/839770710.db2.gz BFHZVVFWJUFBPC-UHFFFAOYSA-N -1 3 292.301 1.726 20 30 CDEDHM N#CCNC(=O)C/N=C\c1cc(Br)ccc1[O-] ZINC000794675475 839810506 /nfs/dbraw/zinc/81/05/06/839810506.db2.gz CFXOFXGYTCBRAO-NSIKDUERSA-N -1 3 296.124 1.213 20 30 CDEDHM C=CCN1CCO[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001035292237 840007466 /nfs/dbraw/zinc/00/74/66/840007466.db2.gz BKHOBTNTGGFMAE-LBPRGKRZSA-N -1 3 276.336 1.009 20 30 CDEDHM CCCO[N-]C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000844083686 840231764 /nfs/dbraw/zinc/23/17/64/840231764.db2.gz QRIJWFJTIGYHFP-UHFFFAOYSA-N -1 3 278.356 1.804 20 30 CDEDHM C=C(CC)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000837098984 840434195 /nfs/dbraw/zinc/43/41/95/840434195.db2.gz LTMGXAHMFKFBAB-UHFFFAOYSA-N -1 3 298.364 1.460 20 30 CDEDHM C[C@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1cccc(F)c1 ZINC000820482846 840616713 /nfs/dbraw/zinc/61/67/13/840616713.db2.gz SKAILCONJIYSKU-JOYOIKCWSA-N -1 3 280.299 1.426 20 30 CDEDHM C#CC[C@@H](CO)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000854541924 840799463 /nfs/dbraw/zinc/79/94/63/840799463.db2.gz JVVSOLGIFYWXGN-LBPRGKRZSA-N -1 3 279.311 1.354 20 30 CDEDHM C=C(Cl)CN[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001054591728 841378551 /nfs/dbraw/zinc/37/85/51/841378551.db2.gz VQZDLKBASXFPTC-KOLCDFICSA-N -1 3 295.770 1.590 20 30 CDEDHM C=CCNC(=O)C[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000777514746 841405891 /nfs/dbraw/zinc/40/58/91/841405891.db2.gz DGMPIUWDLHYOGG-UHFFFAOYSA-N -1 3 286.253 1.336 20 30 CDEDHM C=CCNC(=O)CN[C@H](C)c1c([O-])cccc1F ZINC000886580345 841462627 /nfs/dbraw/zinc/46/26/27/841462627.db2.gz GNSVIIJJPZNKCY-SECBINFHSA-N -1 3 252.289 1.484 20 30 CDEDHM CC(C)OCCO[N-]C(=O)Cc1ccccc1CC#N ZINC000812805095 841532271 /nfs/dbraw/zinc/53/22/71/841532271.db2.gz VBOOOMDHYZIDIU-UHFFFAOYSA-N -1 3 276.336 1.768 20 30 CDEDHM Cc1cccc([C@H](C)C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000848136519 841811010 /nfs/dbraw/zinc/81/10/10/841811010.db2.gz OACRMQHBNCHQRV-WCQYABFASA-N -1 3 276.336 1.595 20 30 CDEDHM Cc1ccnc(C)c1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000879526278 841820646 /nfs/dbraw/zinc/82/06/46/841820646.db2.gz LSSFPZUUQKTTRH-JTQLQIEISA-N -1 3 278.312 1.200 20 30 CDEDHM C#CCO[N-]C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000812786689 841831911 /nfs/dbraw/zinc/83/19/11/841831911.db2.gz SDZMPYCUCWZDQV-HOCLYGCPSA-N -1 3 255.317 1.962 20 30 CDEDHM CC[C@@H]1C[C@@H](CC(=O)N[C@H]2CCCN([O-])C2=O)CCO1 ZINC000848136243 842100268 /nfs/dbraw/zinc/10/02/68/842100268.db2.gz UWZCOHSHIVWXHR-TUAOUCFPSA-N -1 3 284.356 1.078 20 30 CDEDHM N#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]12 ZINC001026207319 842293417 /nfs/dbraw/zinc/29/34/17/842293417.db2.gz SOIHYIKLJUZGFT-MRVWCRGKSA-N -1 3 285.347 1.356 20 30 CDEDHM CCc1cccc(OCC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000848138727 842332898 /nfs/dbraw/zinc/33/28/98/842332898.db2.gz SXSCMEYFHBXJIU-ZDUSSCGKSA-N -1 3 292.335 1.124 20 30 CDEDHM CC(C)c1ncsc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848132114 842404104 /nfs/dbraw/zinc/40/41/04/842404104.db2.gz NXLUAYPKTGCHHH-QMMMGPOBSA-N -1 3 283.353 1.377 20 30 CDEDHM C=CCN1CC[C@H](OC(=O)c2ccc([O-])cc2)C1=O ZINC000798568332 842442495 /nfs/dbraw/zinc/44/24/95/842442495.db2.gz WLAXMHGHSQMJAF-LBPRGKRZSA-N -1 3 261.277 1.336 20 30 CDEDHM COc1c([O-])ccc(C=NNCC(F)F)c1[N+](=O)[O-] ZINC000834958736 842884952 /nfs/dbraw/zinc/88/49/52/842884952.db2.gz COWKDQKKHUOWEX-UHFFFAOYSA-N -1 3 275.211 1.498 20 30 CDEDHM COCCS(=O)(=O)[N-]c1[nH]c2ccccc2c1C#N ZINC000903181235 842986939 /nfs/dbraw/zinc/98/69/39/842986939.db2.gz NYQQJWKBAFRUAL-UHFFFAOYSA-N -1 3 279.321 1.428 20 30 CDEDHM COc1ncc([N-]c2onc(C)c2C#N)c(OC)n1 ZINC001174868365 913375721 /nfs/dbraw/zinc/37/57/21/913375721.db2.gz DWMIPEQZTGLBSU-UHFFFAOYSA-N -1 3 261.241 1.406 20 30 CDEDHM C[C@@H](OC1CCCCC1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC001346479106 894955193 /nfs/dbraw/zinc/95/51/93/894955193.db2.gz XGAVFJXDAVZDCF-ZYHUDNBSSA-N -1 3 284.356 1.221 20 30 CDEDHM N#CCN[C@@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001088267463 906732483 /nfs/dbraw/zinc/73/24/83/906732483.db2.gz VLIGCWYBWVWAOU-CYBMUJFWSA-N -1 3 287.363 1.890 20 30 CDEDHM CC(=O)C=C(C)NC(=O)c1[n-]c(=O)ccc1Cl ZINC001184813985 919291732 /nfs/dbraw/zinc/29/17/32/919291732.db2.gz ZDAZSCOICXRCRD-WAYWQWQTSA-N -1 3 254.673 1.089 20 30 CDEDHM C#CC1(NC(=O)c2[n-]c(=O)ccc2Cl)CCCCC1 ZINC001184816055 919292889 /nfs/dbraw/zinc/29/28/89/919292889.db2.gz ANSCTBCYVRACOF-UHFFFAOYSA-N -1 3 278.739 1.933 20 30 CDEDHM O=C(NC1=CC(=O)CCC1)c1ccccc1-c1nnn[n-]1 ZINC001187006686 920287024 /nfs/dbraw/zinc/28/70/24/920287024.db2.gz HFGKNWXKWGJUNO-UHFFFAOYSA-N -1 3 283.291 1.233 20 30 CDEDHM O=C(NC1=CC(=O)CCC1)c1ccccc1-c1nn[n-]n1 ZINC001187006686 920287034 /nfs/dbraw/zinc/28/70/34/920287034.db2.gz HFGKNWXKWGJUNO-UHFFFAOYSA-N -1 3 283.291 1.233 20 30 CDEDHM N#C[C@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001139853864 936653713 /nfs/dbraw/zinc/65/37/13/936653713.db2.gz PUFJAVGZINCSLL-LLVKDONJSA-N -1 3 254.297 1.212 20 30 CDEDHM N#C[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001139853864 936653714 /nfs/dbraw/zinc/65/37/14/936653714.db2.gz PUFJAVGZINCSLL-LLVKDONJSA-N -1 3 254.297 1.212 20 30 CDEDHM Cc1cccc(CNC(=O)N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1 ZINC001191017471 922356956 /nfs/dbraw/zinc/35/69/56/922356956.db2.gz XHOXRMWGIVGIHU-JQWIXIFHSA-N -1 3 277.324 1.030 20 30 CDEDHM C#C[C@H]([N-]S(=O)(=O)c1cnc(OC)s1)C(C)(C)C ZINC000702236091 922506630 /nfs/dbraw/zinc/50/66/30/922506630.db2.gz IJEDAZGNJUKWEU-QMMMGPOBSA-N -1 3 288.394 1.478 20 30 CDEDHM Cc1ncc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1C#N ZINC001192285862 922990224 /nfs/dbraw/zinc/99/02/24/922990224.db2.gz BMEJVUDEGSHCGI-UHFFFAOYSA-N -1 3 296.212 1.651 20 30 CDEDHM Cc1ncc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1C#N ZINC001192285862 922990233 /nfs/dbraw/zinc/99/02/33/922990233.db2.gz BMEJVUDEGSHCGI-UHFFFAOYSA-N -1 3 296.212 1.651 20 30 CDEDHM COC(=O)c1ncccc1C(=O)[N-]c1onc(C)c1C#N ZINC001192486520 923127481 /nfs/dbraw/zinc/12/74/81/923127481.db2.gz BXIHEWRFUVIMIY-UHFFFAOYSA-N -1 3 286.247 1.289 20 30 CDEDHM Cc1cc([O-])cnc1NC(=O)c1cnccc1C#N ZINC001192962645 923343248 /nfs/dbraw/zinc/34/32/48/923343248.db2.gz NYCXSIKCLBCSDX-UHFFFAOYSA-N -1 3 254.249 1.615 20 30 CDEDHM N#CCS(=O)(=O)[N-]Cc1c(F)ccc(Cl)c1F ZINC001192987721 923366325 /nfs/dbraw/zinc/36/63/25/923366325.db2.gz GAGPKWSZFRNLOJ-UHFFFAOYSA-N -1 3 280.683 1.561 20 30 CDEDHM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(Cn2ccnc2)c1 ZINC001193146745 923491913 /nfs/dbraw/zinc/49/19/13/923491913.db2.gz SGXZQACBJGWJHD-LLVKDONJSA-N -1 3 290.348 1.585 20 30 CDEDHM COc1cccc([N-]S(=O)(=O)[C@@H](C)C#N)c1C ZINC001193146918 923492437 /nfs/dbraw/zinc/49/24/37/923492437.db2.gz UEWWPAAESHJTNW-QMMMGPOBSA-N -1 3 254.311 1.657 20 30 CDEDHM COc1ccnc(C(=O)N2CCC[C@H](C#N)C2)c1[O-] ZINC001193530213 923775683 /nfs/dbraw/zinc/77/56/83/923775683.db2.gz ZGVMOCKQWILZEW-SECBINFHSA-N -1 3 261.281 1.172 20 30 CDEDHM C#CC1CCN(C(=O)c2nccc(OC)c2[O-])CC1 ZINC001193530157 923777498 /nfs/dbraw/zinc/77/74/98/923777498.db2.gz YAPATGKRCIQBPH-UHFFFAOYSA-N -1 3 260.293 1.281 20 30 CDEDHM CCCCCCOC(=O)N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001194203907 924115812 /nfs/dbraw/zinc/11/58/12/924115812.db2.gz NRGLMICKJSSYNT-UWVGGRQHSA-N -1 3 258.318 1.529 20 30 CDEDHM N#Cc1cc(F)c(Cl)nc1NCCCc1c[n-][nH]c1=O ZINC001156277944 927895774 /nfs/dbraw/zinc/89/57/74/927895774.db2.gz KHRHVEQJEGUYPI-SSDOTTSWSA-N -1 3 295.705 1.670 20 30 CDEDHM C#CCCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001150184168 937222821 /nfs/dbraw/zinc/22/28/21/937222821.db2.gz JWBGRKIZBPTGFT-UHFFFAOYSA-N -1 3 255.281 1.609 20 30 CDEDHM C#CCCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001150184168 937222822 /nfs/dbraw/zinc/22/28/22/937222822.db2.gz JWBGRKIZBPTGFT-UHFFFAOYSA-N -1 3 255.281 1.609 20 30 CDEDHM Cc1cnc2c(C(=O)Nc3ccc([O-])c(C#N)c3)cnn2c1 ZINC001151142344 937271331 /nfs/dbraw/zinc/27/13/31/937271331.db2.gz MNGGTZMZJDTTJU-UHFFFAOYSA-N -1 3 293.286 1.867 20 30 CDEDHM CC(=NNc1cnnc([O-])c1Cl)c1ccnc(O)c1 ZINC001116846839 937475749 /nfs/dbraw/zinc/47/57/49/937475749.db2.gz BBHJCOFHNHDUBN-UHFFFAOYSA-N -1 3 279.687 1.772 20 30 CDEDHM Cc1cc(Cl)nc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1 ZINC001160173723 931245166 /nfs/dbraw/zinc/24/51/66/931245166.db2.gz RQPFADKHJUBHFH-XNCJUZBTSA-N -1 3 256.693 1.086 20 30 CDEDHM C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001444580332 931903981 /nfs/dbraw/zinc/90/39/81/931903981.db2.gz HFJRPSVFZMFKGX-MRVPVSSYSA-N -1 3 286.763 1.226 20 30 CDEDHM Cc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)nc2nccn21 ZINC001154434876 937544015 /nfs/dbraw/zinc/54/40/15/937544015.db2.gz CZNYUCBYTUPVMC-UHFFFAOYSA-N -1 3 293.286 1.867 20 30 CDEDHM N#Cc1cc(NC(=O)[C@@H](O)c2ccc(O)cc2)ccc1[O-] ZINC001144608096 931918424 /nfs/dbraw/zinc/91/84/24/931918424.db2.gz BHGZAFNFZJIWGW-AWEZNQCLSA-N -1 3 284.271 1.642 20 30 CDEDHM C=C(C)C(=O)OCCNC(=O)c1ccc(C)cc1[O-] ZINC001148506190 932728871 /nfs/dbraw/zinc/72/88/71/932728871.db2.gz VJFPIUQJPUCXIG-UHFFFAOYSA-N -1 3 263.293 1.550 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(Cl)nc2[nH]ccc21 ZINC001171359501 932858731 /nfs/dbraw/zinc/85/87/31/932858731.db2.gz AGFJVDUXYDTQKN-WKEGUHRASA-N -1 3 280.715 1.864 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)cc2c1ncn2C ZINC001171363167 932866788 /nfs/dbraw/zinc/86/67/88/932866788.db2.gz BLWPKIDKZWQVHU-RCOVLWMOSA-N -1 3 295.730 1.270 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(CCC#N)cc1 ZINC001171364810 932870645 /nfs/dbraw/zinc/87/06/45/932870645.db2.gz ARCGSHRGNXHPIA-GWCFXTLKSA-N -1 3 259.309 1.791 20 30 CDEDHM COC(=O)c1ccc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c(C)c1 ZINC001171365003 932872156 /nfs/dbraw/zinc/87/21/56/932872156.db2.gz FOPNGESSIFVWSQ-CABZTGNLSA-N -1 3 278.308 1.430 20 30 CDEDHM CC(C)c1cc(Cl)nc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1 ZINC001171365014 932872349 /nfs/dbraw/zinc/87/23/49/932872349.db2.gz GJFKGMUEGHLHCJ-XVKPBYJWSA-N -1 3 284.747 1.901 20 30 CDEDHM COc1ccc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)nc1C ZINC001171369777 932889065 /nfs/dbraw/zinc/88/90/65/932889065.db2.gz ZNVNZZFZTLDRES-CPCISQLKSA-N -1 3 251.286 1.047 20 30 CDEDHM C=C(C)C[C@H](NCc1c(C)nn(C)c1Cl)C(=O)[O-] ZINC001119611011 937738594 /nfs/dbraw/zinc/73/85/94/937738594.db2.gz BDAUPOXTEIVXRS-JTQLQIEISA-N -1 3 271.748 1.891 20 30 CDEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCO[C@@H](C)C1 ZINC001121652473 937879258 /nfs/dbraw/zinc/87/92/58/937879258.db2.gz PPWMPFLXFOVCQA-VIFPVBQESA-N -1 3 291.311 1.050 20 30 CDEDHM C=CCN(C)c1nnc(-c2cnc[n-]c2=O)n1CC ZINC001121850615 937885538 /nfs/dbraw/zinc/88/55/38/937885538.db2.gz KYBGQALJWJWQHE-UHFFFAOYSA-N -1 3 260.301 1.083 20 30 CDEDHM N#Cc1cc2nc(NCCCc3c[n-][nH]c3=O)ccc2[nH]1 ZINC001156285446 938347402 /nfs/dbraw/zinc/34/74/02/938347402.db2.gz VOSXXNLRPUHCKT-SECBINFHSA-N -1 3 282.307 1.358 20 30 CDEDHM CC1(C)CCCc2cc(C#N)c(-n3[n-]c(=O)nc3CN)nc21 ZINC001157940507 938566501 /nfs/dbraw/zinc/56/65/01/938566501.db2.gz QAHMFEBIBLDRMU-UHFFFAOYSA-N -1 3 298.350 1.312 20 30 CDEDHM COC(=O)n1ncc(C#N)c1[N-]c1ncc(C)nc1C#N ZINC001158971200 938683533 /nfs/dbraw/zinc/68/35/33/938683533.db2.gz FESVRADFFOUDFV-UHFFFAOYSA-N -1 3 283.251 1.083 20 30 CDEDHM COc1ccc(/C(C)=C\C(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC001159331843 938722363 /nfs/dbraw/zinc/72/23/63/938722363.db2.gz VIFSRKSXKVFEIO-XPSMFNQNSA-N -1 3 290.319 1.205 20 30 CDEDHM Cc1ccc(Cl)c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1 ZINC001160173434 938772805 /nfs/dbraw/zinc/77/28/05/938772805.db2.gz IDSWZWZBSXFZIZ-RCOVLWMOSA-N -1 3 255.705 1.691 20 30 CDEDHM COc1nc2ccccc2nc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001160173473 938773085 /nfs/dbraw/zinc/77/30/85/938773085.db2.gz KEBAPSFKHUDZOS-KWQFWETISA-N -1 3 288.307 1.286 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001160173968 938773098 /nfs/dbraw/zinc/77/30/98/938773098.db2.gz YZSLPJPHAURYRY-CDUCUWFYSA-N -1 3 286.675 1.291 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(C(C)(C)C)ncn1 ZINC001160175987 938773441 /nfs/dbraw/zinc/77/34/41/938773441.db2.gz BEWALVDDVPGMKJ-KWQFWETISA-N -1 3 264.329 1.422 20 30 CDEDHM N#Cc1c(N)nn(-c2cc([O-])cc(C(F)(F)F)c2)c1N ZINC001210824083 940715724 /nfs/dbraw/zinc/71/57/24/940715724.db2.gz LPDBHZWANOLZIZ-UHFFFAOYSA-N -1 3 283.213 1.633 20 30 CDEDHM CO[C@@H]1CCN(CCOc2[n-]c(=O)cc(C)c2C#N)C1 ZINC001226223364 941969297 /nfs/dbraw/zinc/96/92/97/941969297.db2.gz OZNSNAIRFALZEE-LLVKDONJSA-N -1 3 277.324 1.067 20 30 CDEDHM CCOC(=O)C[C@@H](CC#N)Oc1nc(C)[n-]c(=O)c1C ZINC001229684469 942510288 /nfs/dbraw/zinc/51/02/88/942510288.db2.gz BWVQFBVHGCUSMN-SNVBAGLBSA-N -1 3 279.296 1.413 20 30 CDEDHM C=CCOCC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001525060139 970923971 /nfs/dbraw/zinc/92/39/71/970923971.db2.gz SXKBENNZNXBNIX-UHFFFAOYSA-N -1 3 277.259 1.147 20 30 CDEDHM C=CCOCC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001525060139 970923974 /nfs/dbraw/zinc/92/39/74/970923974.db2.gz SXKBENNZNXBNIX-UHFFFAOYSA-N -1 3 277.259 1.147 20 30 CDEDHM CC[C@@H](C#CC(=O)OC)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231075953 942778040 /nfs/dbraw/zinc/77/80/40/942778040.db2.gz GNWAAUDLEJOHSP-NSHDSACASA-N -1 3 286.291 1.201 20 30 CDEDHM CC[C@@H](C#CC(=O)OC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231075953 942778046 /nfs/dbraw/zinc/77/80/46/942778046.db2.gz GNWAAUDLEJOHSP-NSHDSACASA-N -1 3 286.291 1.201 20 30 CDEDHM N#Cc1ccc(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c([O-])c1 ZINC001233384364 943571471 /nfs/dbraw/zinc/57/14/71/943571471.db2.gz SMYDTYJOASDZBZ-IVMMDQJWSA-N -1 3 288.347 1.236 20 30 CDEDHM N#CC=C([O-])c1ccccc1OC[C@@H]1COCCO1 ZINC001233523258 943607813 /nfs/dbraw/zinc/60/78/13/943607813.db2.gz WVYGKGRRLIZWAZ-NSHDSACASA-N -1 3 261.277 1.577 20 30 CDEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1COC(=O)C1 ZINC001233799159 943661863 /nfs/dbraw/zinc/66/18/63/943661863.db2.gz GMYLRCWQQIDYGQ-CVSYOPMASA-N -1 3 251.238 1.198 20 30 CDEDHM C#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000700627102 944640778 /nfs/dbraw/zinc/64/07/78/944640778.db2.gz 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Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccco2)n1 ZINC000826350424 608536779 /nfs/dbraw/zinc/53/67/79/608536779.db2.gz VPSUDJVVCQLKNQ-UHFFFAOYSA-N -1 3 289.686 1.954 20 30 CDEDHM C=CCN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602851886 1175434373 /nfs/dbraw/zinc/43/43/73/1175434373.db2.gz AZYVFESMPYTZQW-UHFFFAOYSA-N -1 3 282.307 1.409 20 30 CDEDHM C=CCN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602851886 1175434378 /nfs/dbraw/zinc/43/43/78/1175434378.db2.gz AZYVFESMPYTZQW-UHFFFAOYSA-N -1 3 282.307 1.409 20 30 CDEDHM C[C@]1(C#N)CCCN(c2cnccc2-c2nnn[n-]2)C1 ZINC000824779002 609600661 /nfs/dbraw/zinc/60/06/61/609600661.db2.gz RXCMKPKSROJFKJ-CYBMUJFWSA-N -1 3 269.312 1.392 20 30 CDEDHM C[C@]1(C#N)CCCN(c2cnccc2-c2nn[n-]n2)C1 ZINC000824779002 609600663 /nfs/dbraw/zinc/60/06/63/609600663.db2.gz RXCMKPKSROJFKJ-CYBMUJFWSA-N -1 3 269.312 1.392 20 30 CDEDHM C=CCCOC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823899140 609630990 /nfs/dbraw/zinc/63/09/90/609630990.db2.gz NFWPMFQJAGQTCM-LLVKDONJSA-N -1 3 274.280 1.019 20 30 CDEDHM C=CCCOC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823899140 609630991 /nfs/dbraw/zinc/63/09/91/609630991.db2.gz NFWPMFQJAGQTCM-LLVKDONJSA-N -1 3 274.280 1.019 20 30 CDEDHM C=C1CC(C)(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)C1 ZINC000890533226 617199868 /nfs/dbraw/zinc/19/98/68/617199868.db2.gz LNMSASNHGGGKLU-NSHDSACASA-N -1 3 288.351 1.233 20 30 CDEDHM C=C(C)CN1C[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC000974491148 613342603 /nfs/dbraw/zinc/34/26/03/613342603.db2.gz PFOAQZQHECAIBG-ZDUSSCGKSA-N -1 3 289.379 1.804 20 30 CDEDHM C#CCN(CC#CC)Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892068102 617460881 /nfs/dbraw/zinc/46/08/81/617460881.db2.gz FEBUAPAEIHROAW-UHFFFAOYSA-N -1 3 288.303 1.768 20 30 CDEDHM CCC#CCOC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000893839617 618083313 /nfs/dbraw/zinc/08/33/13/618083313.db2.gz SRAFMLGJABRBFQ-UHFFFAOYSA-N -1 3 285.321 1.066 20 30 CDEDHM Cc1nc(N2CCO[C@H](c3cccc(C#N)c3)C2)cc(=O)[n-]1 ZINC000893029820 618076345 /nfs/dbraw/zinc/07/63/45/618076345.db2.gz 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COc1ccc(C=NOCC(F)F)cc1-c1nn[n-]n1 ZINC001605269871 1163509345 /nfs/dbraw/zinc/50/93/45/1163509345.db2.gz IPXSQHJIDWYBJQ-UHFFFAOYSA-N -1 3 283.238 1.491 20 30 CDEDHM CN(Cc1ccc(C(=O)[O-])cn1)C[C@H](O)CC1(C#N)CC1 ZINC001606155435 1163789092 /nfs/dbraw/zinc/78/90/92/1163789092.db2.gz NJKSDXCCSKDZDD-CYBMUJFWSA-N -1 3 289.335 1.266 20 30 CDEDHM N#C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001606345556 1163868759 /nfs/dbraw/zinc/86/87/59/1163868759.db2.gz KREIUGNZHLQDAL-SECBINFHSA-N -1 3 255.285 1.002 20 30 CDEDHM N#C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001606345556 1163868766 /nfs/dbraw/zinc/86/87/66/1163868766.db2.gz KREIUGNZHLQDAL-SECBINFHSA-N -1 3 255.285 1.002 20 30 CDEDHM N#C[C@@]1(F)CCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001606344246 1163868800 /nfs/dbraw/zinc/86/88/00/1163868800.db2.gz HKKSFLZEOIOJOJ-LBPRGKRZSA-N -1 3 276.250 1.448 20 30 CDEDHM N#C[C@@]1(F)CCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001606344246 1163868808 /nfs/dbraw/zinc/86/88/08/1163868808.db2.gz HKKSFLZEOIOJOJ-LBPRGKRZSA-N -1 3 276.250 1.448 20 30 CDEDHM N#Cc1ncn(CCc2ccccc2F)c1-c1nnn[n-]1 ZINC001606398558 1163889286 /nfs/dbraw/zinc/88/92/86/1163889286.db2.gz KDDIYIGDHFPMMZ-UHFFFAOYSA-N -1 3 283.270 1.317 20 30 CDEDHM O=C(C=Cc1cocn1)c1cccc(-c2nnn[n-]2)c1 ZINC001606487365 1163913564 /nfs/dbraw/zinc/91/35/64/1163913564.db2.gz NLHDCICSDACRII-PLNGDYQASA-N -1 3 267.248 1.751 20 30 CDEDHM O=C(C=Cc1cocn1)c1cccc(-c2nn[n-]n2)c1 ZINC001606487365 1163913569 /nfs/dbraw/zinc/91/35/69/1163913569.db2.gz NLHDCICSDACRII-PLNGDYQASA-N -1 3 267.248 1.751 20 30 CDEDHM COC(CN(CCC(=O)[O-])CC1(CC#N)CC1)OC ZINC001606673963 1163956427 /nfs/dbraw/zinc/95/64/27/1163956427.db2.gz BCNYDOHJHQYOAA-UHFFFAOYSA-N -1 3 270.329 1.076 20 30 CDEDHM C#C[C@@H](CC)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609018715 1164726431 /nfs/dbraw/zinc/72/64/31/1164726431.db2.gz DMQPPWWMVQQRFP-PRDAAYKISA-N -1 3 281.319 1.408 20 30 CDEDHM C#C[C@@H](CC)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609018715 1164726436 /nfs/dbraw/zinc/72/64/36/1164726436.db2.gz DMQPPWWMVQQRFP-PRDAAYKISA-N -1 3 281.319 1.408 20 30 CDEDHM C#CCCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001609020471 1164729249 /nfs/dbraw/zinc/72/92/49/1164729249.db2.gz IMTPEFAXHARMHP-UHFFFAOYSA-N -1 3 284.323 1.784 20 30 CDEDHM C#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001609020471 1164729254 /nfs/dbraw/zinc/72/92/54/1164729254.db2.gz IMTPEFAXHARMHP-UHFFFAOYSA-N -1 3 284.323 1.784 20 30 CDEDHM C(=NOCCC1CC1)c1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001609022525 1164731362 /nfs/dbraw/zinc/73/13/62/1164731362.db2.gz WOHIUDVLDLQTQU-UHFFFAOYSA-N -1 3 297.322 1.665 20 30 CDEDHM C(=NOCCC1CC1)c1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001609022525 1164731368 /nfs/dbraw/zinc/73/13/68/1164731368.db2.gz WOHIUDVLDLQTQU-UHFFFAOYSA-N -1 3 297.322 1.665 20 30 CDEDHM C=CCCCNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001609055304 1164749558 /nfs/dbraw/zinc/74/95/58/1164749558.db2.gz UKEVWHOXPSXQQH-UHFFFAOYSA-N -1 3 286.339 1.632 20 30 CDEDHM C=CCCCNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001609055304 1164749565 /nfs/dbraw/zinc/74/95/65/1164749565.db2.gz UKEVWHOXPSXQQH-UHFFFAOYSA-N -1 3 286.339 1.632 20 30 CDEDHM C[C@@H]1C[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)CO1 ZINC001609156777 1164803071 /nfs/dbraw/zinc/80/30/71/1164803071.db2.gz FAOMIDBUMSYNNN-SCZZXKLOSA-N -1 3 270.296 1.328 20 30 CDEDHM C[C@@H]1C[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)CO1 ZINC001609156777 1164803077 /nfs/dbraw/zinc/80/30/77/1164803077.db2.gz FAOMIDBUMSYNNN-SCZZXKLOSA-N -1 3 270.296 1.328 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCSC(C)C ZINC001609446802 1164953568 /nfs/dbraw/zinc/95/35/68/1164953568.db2.gz SADKKUXCBZZKNC-UHFFFAOYSA-N -1 3 277.357 1.385 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCSC(C)C ZINC001609446802 1164953573 /nfs/dbraw/zinc/95/35/73/1164953573.db2.gz SADKKUXCBZZKNC-UHFFFAOYSA-N -1 3 277.357 1.385 20 30 CDEDHM N#CC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001609494888 1164974785 /nfs/dbraw/zinc/97/47/85/1164974785.db2.gz OXBPZRRVQOQGSA-UHFFFAOYSA-N -1 3 299.294 1.515 20 30 CDEDHM N#CC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001609494888 1164974790 /nfs/dbraw/zinc/97/47/90/1164974790.db2.gz OXBPZRRVQOQGSA-UHFFFAOYSA-N -1 3 299.294 1.515 20 30 CDEDHM N#CCCCC[C@H](N)C(=O)NCc1ccoc1C(=O)[O-] ZINC001608180378 1167922300 /nfs/dbraw/zinc/92/23/00/1167922300.db2.gz MOVORXQQWFIAAI-JTQLQIEISA-N -1 3 279.296 1.005 20 30 CDEDHM C#CC[C@@H](CCOC)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001588331823 1173034645 /nfs/dbraw/zinc/03/46/45/1173034645.db2.gz SDWNBCKRFZAGJN-LBPRGKRZSA-N -1 3 286.339 1.410 20 30 CDEDHM C#CC[C@@H](CCOC)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001588331823 1173034652 /nfs/dbraw/zinc/03/46/52/1173034652.db2.gz SDWNBCKRFZAGJN-LBPRGKRZSA-N -1 3 286.339 1.410 20 30 CDEDHM C#CC[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001588337220 1173040658 /nfs/dbraw/zinc/04/06/58/1173040658.db2.gz KWZRPGLFBLBWOO-JTQLQIEISA-N -1 3 298.306 1.625 20 30 CDEDHM C#CC[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001588337220 1173040661 /nfs/dbraw/zinc/04/06/61/1173040661.db2.gz KWZRPGLFBLBWOO-JTQLQIEISA-N -1 3 298.306 1.625 20 30 CDEDHM C#CCSCC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588363045 1173050709 /nfs/dbraw/zinc/05/07/09/1173050709.db2.gz HJZSYXLTOUXTSJ-UHFFFAOYSA-N -1 3 293.377 1.542 20 30 CDEDHM C#CCSCC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588363045 1173050716 /nfs/dbraw/zinc/05/07/16/1173050716.db2.gz HJZSYXLTOUXTSJ-UHFFFAOYSA-N -1 3 293.377 1.542 20 30 CDEDHM C#CCc1c(C)nn(Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC001588364143 1173053029 /nfs/dbraw/zinc/05/30/29/1173053029.db2.gz WGBIZMYUQPEZAX-UHFFFAOYSA-N -1 3 292.346 1.904 20 30 CDEDHM C#CCc1c(C)nn(Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC001588364143 1173053033 /nfs/dbraw/zinc/05/30/33/1173053033.db2.gz WGBIZMYUQPEZAX-UHFFFAOYSA-N -1 3 292.346 1.904 20 30 CDEDHM C#CCOCCOc1c(Cl)cc(F)cc1-c1nnn[n-]1 ZINC001588363576 1173053045 /nfs/dbraw/zinc/05/30/45/1173053045.db2.gz ONGCBGXNALBWIJ-UHFFFAOYSA-N -1 3 296.689 1.688 20 30 CDEDHM C#CCOCCOc1c(Cl)cc(F)cc1-c1nn[n-]n1 ZINC001588363576 1173053047 /nfs/dbraw/zinc/05/30/47/1173053047.db2.gz ONGCBGXNALBWIJ-UHFFFAOYSA-N -1 3 296.689 1.688 20 30 CDEDHM C(=NOCCOc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001588384414 1173055349 /nfs/dbraw/zinc/05/53/49/1173055349.db2.gz MNVKUXBKZCLEPT-UHFFFAOYSA-N -1 3 273.296 1.658 20 30 CDEDHM C(=NOCCOc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001588384414 1173055353 /nfs/dbraw/zinc/05/53/53/1173055353.db2.gz MNVKUXBKZCLEPT-UHFFFAOYSA-N -1 3 273.296 1.658 20 30 CDEDHM C=C[C@H](C(=O)n1ncc(-c2nnn[n-]2)c1N)c1ccccc1 ZINC001588468023 1173069953 /nfs/dbraw/zinc/06/99/53/1173069953.db2.gz OZJOTUXLPLDGIB-JTQLQIEISA-N -1 3 295.306 1.255 20 30 CDEDHM C=C[C@H](O)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588526445 1173073540 /nfs/dbraw/zinc/07/35/40/1173073540.db2.gz WPHZILCKXXJIIN-KCJUWKMLSA-N -1 3 274.280 1.018 20 30 CDEDHM C=C[C@H](O)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588526445 1173073547 /nfs/dbraw/zinc/07/35/47/1173073547.db2.gz WPHZILCKXXJIIN-KCJUWKMLSA-N -1 3 274.280 1.018 20 30 CDEDHM C=CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(N)n2)C1 ZINC001588560152 1173080354 /nfs/dbraw/zinc/08/03/54/1173080354.db2.gz OAYUFGIKBIHYKH-JTQLQIEISA-N -1 3 285.355 1.636 20 30 CDEDHM C=CCC(CC=C)C(=O)Nc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001588544848 1173081407 /nfs/dbraw/zinc/08/14/07/1173081407.db2.gz XKXVCMYCBJDFTI-UHFFFAOYSA-N -1 3 287.327 1.605 20 30 CDEDHM C=CCCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588600472 1173084934 /nfs/dbraw/zinc/08/49/34/1173084934.db2.gz CFRJWIXOFFCSKR-UHFFFAOYSA-N -1 3 293.352 1.111 20 30 CDEDHM C=CCCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588600472 1173084943 /nfs/dbraw/zinc/08/49/43/1173084943.db2.gz CFRJWIXOFFCSKR-UHFFFAOYSA-N -1 3 293.352 1.111 20 30 CDEDHM C=CCCCNc1nc2c(cc1-c1nnn[n-]1)COCC2 ZINC001588600612 1173087409 /nfs/dbraw/zinc/08/74/09/1173087409.db2.gz INGPKVDMPSHRJM-UHFFFAOYSA-N -1 3 286.339 1.713 20 30 CDEDHM C=CCCCNc1nc2c(cc1-c1nn[n-]n1)COCC2 ZINC001588600612 1173087414 /nfs/dbraw/zinc/08/74/14/1173087414.db2.gz INGPKVDMPSHRJM-UHFFFAOYSA-N -1 3 286.339 1.713 20 30 CDEDHM C=CCN(C)C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588626861 1173090323 /nfs/dbraw/zinc/09/03/23/1173090323.db2.gz SZZMHXHYTVTIHZ-UHFFFAOYSA-N -1 3 273.300 1.220 20 30 CDEDHM C=CCN(C)C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588626861 1173090327 /nfs/dbraw/zinc/09/03/27/1173090327.db2.gz SZZMHXHYTVTIHZ-UHFFFAOYSA-N -1 3 273.300 1.220 20 30 CDEDHM C=CCN1CC[C@H](Oc2cccc(-c3nnn[n-]3)c2)C1=O ZINC001588657292 1173094701 /nfs/dbraw/zinc/09/47/01/1173094701.db2.gz JOQKPWKEXCLKRX-LBPRGKRZSA-N -1 3 285.307 1.032 20 30 CDEDHM C=CCN1CC[C@H](Oc2cccc(-c3nn[n-]n3)c2)C1=O ZINC001588657292 1173094705 /nfs/dbraw/zinc/09/47/05/1173094705.db2.gz JOQKPWKEXCLKRX-LBPRGKRZSA-N -1 3 285.307 1.032 20 30 CDEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(C)nn1C ZINC001588780733 1173105598 /nfs/dbraw/zinc/10/55/98/1173105598.db2.gz LOMRCTSOBBFVEJ-UHFFFAOYSA-N -1 3 296.338 1.745 20 30 CDEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(C)nn1C ZINC001588780733 1173105600 /nfs/dbraw/zinc/10/56/00/1173105600.db2.gz LOMRCTSOBBFVEJ-UHFFFAOYSA-N -1 3 296.338 1.745 20 30 CDEDHM C[C@@H](C#N)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588934419 1173114545 /nfs/dbraw/zinc/11/45/45/1173114545.db2.gz LUYVBDVOSCTBOR-ZETCQYMHSA-N -1 3 289.274 1.287 20 30 CDEDHM C[C@@H](C#N)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588934419 1173114546 /nfs/dbraw/zinc/11/45/46/1173114546.db2.gz LUYVBDVOSCTBOR-ZETCQYMHSA-N -1 3 289.274 1.287 20 30 CDEDHM CC(C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001589036059 1173119958 /nfs/dbraw/zinc/11/99/58/1173119958.db2.gz MFQCQDWOOSTOFV-UHFFFAOYSA-N -1 3 290.714 1.552 20 30 CDEDHM CC(C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001589036059 1173119961 /nfs/dbraw/zinc/11/99/61/1173119961.db2.gz MFQCQDWOOSTOFV-UHFFFAOYSA-N -1 3 290.714 1.552 20 30 CDEDHM CC(C)(C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589036085 1173120121 /nfs/dbraw/zinc/12/01/21/1173120121.db2.gz OAUFBSYNABJQCS-NWDGAFQWSA-N -1 3 297.318 1.816 20 30 CDEDHM CC(C)(C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001589036085 1173120122 /nfs/dbraw/zinc/12/01/22/1173120122.db2.gz OAUFBSYNABJQCS-NWDGAFQWSA-N -1 3 297.318 1.816 20 30 CDEDHM CC(C)(C(=O)NCCCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589048558 1173122229 /nfs/dbraw/zinc/12/22/29/1173122229.db2.gz MRVJJJJQRUOWKD-UHFFFAOYSA-N -1 3 298.350 1.564 20 30 CDEDHM CC(C)(C(=O)NCCCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589048558 1173122235 /nfs/dbraw/zinc/12/22/35/1173122235.db2.gz MRVJJJJQRUOWKD-UHFFFAOYSA-N -1 3 298.350 1.564 20 30 CDEDHM C[C@@H]1COCC[C@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590324067 1173354502 /nfs/dbraw/zinc/35/45/02/1173354502.db2.gz MZORLMACENPQDZ-BXKDBHETSA-N -1 3 284.323 1.575 20 30 CDEDHM C[C@@H]1COCC[C@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590324067 1173354509 /nfs/dbraw/zinc/35/45/09/1173354509.db2.gz MZORLMACENPQDZ-BXKDBHETSA-N -1 3 284.323 1.575 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590371570 1173380089 /nfs/dbraw/zinc/38/00/89/1173380089.db2.gz DPMUZEPNYWWYHX-BONVTDFDSA-N -1 3 298.350 1.984 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590371570 1173380094 /nfs/dbraw/zinc/38/00/94/1173380094.db2.gz DPMUZEPNYWWYHX-BONVTDFDSA-N -1 3 298.350 1.984 20 30 CDEDHM Cc1c(C(=O)NCC2(C#N)CC2)cccc1-c1nnn[n-]1 ZINC001591806878 1173706551 /nfs/dbraw/zinc/70/65/51/1173706551.db2.gz WGZGWCPENUNGPA-UHFFFAOYSA-N -1 3 282.307 1.209 20 30 CDEDHM Cc1c(C(=O)NCC2(C#N)CC2)cccc1-c1nn[n-]n1 ZINC001591806878 1173706556 /nfs/dbraw/zinc/70/65/56/1173706556.db2.gz WGZGWCPENUNGPA-UHFFFAOYSA-N -1 3 282.307 1.209 20 30 CDEDHM Cc1cc(C(=O)O[C@@H]2CC[C@H](C#N)C2)ncc1-c1nnn[n-]1 ZINC001591936469 1173749670 /nfs/dbraw/zinc/74/96/70/1173749670.db2.gz READOUMJODVYMH-VHSXEESVSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1cc(C(=O)O[C@@H]2CC[C@H](C#N)C2)ncc1-c1nn[n-]n1 ZINC001591936469 1173749673 /nfs/dbraw/zinc/74/96/73/1173749673.db2.gz READOUMJODVYMH-VHSXEESVSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)CCCC#N ZINC001591980942 1173764006 /nfs/dbraw/zinc/76/40/06/1173764006.db2.gz CKJVCRYBWNABNB-UHFFFAOYSA-N -1 3 288.286 1.947 20 30 CDEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)CCCC#N ZINC001591980942 1173764009 /nfs/dbraw/zinc/76/40/09/1173764009.db2.gz CKJVCRYBWNABNB-UHFFFAOYSA-N -1 3 288.286 1.947 20 30 CDEDHM Cc1nnc(N2CC[C@](C)(C#N)C2)c(-c2nnn[n-]2)c1C ZINC001592448097 1173894909 /nfs/dbraw/zinc/89/49/09/1173894909.db2.gz GXIAWOIBJPZCBX-CYBMUJFWSA-N -1 3 284.327 1.014 20 30 CDEDHM Cc1nnc(N2CC[C@](C)(C#N)C2)c(-c2nn[n-]n2)c1C ZINC001592448097 1173894914 /nfs/dbraw/zinc/89/49/14/1173894914.db2.gz GXIAWOIBJPZCBX-CYBMUJFWSA-N -1 3 284.327 1.014 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001592603014 1173926324 /nfs/dbraw/zinc/92/63/24/1173926324.db2.gz BDPRZAHYRVWINA-WAYWQWQTSA-N -1 3 298.281 1.635 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001592603014 1173926326 /nfs/dbraw/zinc/92/63/26/1173926326.db2.gz BDPRZAHYRVWINA-WAYWQWQTSA-N -1 3 298.281 1.635 20 30 CDEDHM N#C[C@@H]1CCCN(CCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592672848 1173962090 /nfs/dbraw/zinc/96/20/90/1173962090.db2.gz OPEINZIXBUZLAB-LBPRGKRZSA-N -1 3 298.350 1.481 20 30 CDEDHM N#C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592672749 1173962284 /nfs/dbraw/zinc/96/22/84/1173962284.db2.gz OCMOSXDEPAVJKS-SECBINFHSA-N -1 3 299.294 1.515 20 30 CDEDHM N#C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592672749 1173962289 /nfs/dbraw/zinc/96/22/89/1173962289.db2.gz OCMOSXDEPAVJKS-SECBINFHSA-N -1 3 299.294 1.515 20 30 CDEDHM N#CCOC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001592678642 1173969495 /nfs/dbraw/zinc/96/94/95/1173969495.db2.gz HBRIFCYGUPEJSO-UHFFFAOYSA-N -1 3 287.254 1.104 20 30 CDEDHM N#CCOC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001592678642 1173969496 /nfs/dbraw/zinc/96/94/96/1173969496.db2.gz HBRIFCYGUPEJSO-UHFFFAOYSA-N -1 3 287.254 1.104 20 30 CDEDHM N#Cc1cccnc1NCc1cncc(-c2nnn[n-]2)c1 ZINC001592703193 1173977503 /nfs/dbraw/zinc/97/75/03/1173977503.db2.gz XJJDEMAEOTZPPB-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1cccnc1NCc1cncc(-c2nn[n-]n2)c1 ZINC001592703193 1173977508 /nfs/dbraw/zinc/97/75/08/1173977508.db2.gz XJJDEMAEOTZPPB-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1cnc(Oc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC001592704221 1173977555 /nfs/dbraw/zinc/97/75/55/1173977555.db2.gz CLUJCGHLKYRZGU-UHFFFAOYSA-N -1 3 283.226 1.460 20 30 CDEDHM N#Cc1cnc(Oc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC001592704221 1173977558 /nfs/dbraw/zinc/97/75/58/1173977558.db2.gz CLUJCGHLKYRZGU-UHFFFAOYSA-N -1 3 283.226 1.460 20 30 CDEDHM O=C1C(=Cc2cocn2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593379233 1174072980 /nfs/dbraw/zinc/07/29/80/1174072980.db2.gz BGLHEQOPRBZBJG-WTKPLQERSA-N -1 3 294.274 1.462 20 30 CDEDHM O=C1C(=Cc2cocn2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593379233 1174072988 /nfs/dbraw/zinc/07/29/88/1174072988.db2.gz BGLHEQOPRBZBJG-WTKPLQERSA-N -1 3 294.274 1.462 20 30 CDEDHM c1cc(-c2nnn[n-]2)cc2c1CCC2=NN[C@@H]1CCCOC1 ZINC001593567304 1174142212 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C#C[C@](C)(CC)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001602690067 1175355120 /nfs/dbraw/zinc/35/51/20/1175355120.db2.gz QPYRPKUUFRABKF-OAHLLOKOSA-N -1 3 299.334 1.164 20 30 CDEDHM C=CCOCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC001602869830 1175439879 /nfs/dbraw/zinc/43/98/79/1175439879.db2.gz FKZNSEPXOMYBAO-UHFFFAOYSA-N -1 3 276.296 1.457 20 30 CDEDHM C=CCOCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC001602869830 1175439885 /nfs/dbraw/zinc/43/98/85/1175439885.db2.gz FKZNSEPXOMYBAO-UHFFFAOYSA-N -1 3 276.296 1.457 20 30 CDEDHM CC(=NOC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001602912204 1175449240 /nfs/dbraw/zinc/44/92/40/1175449240.db2.gz NYOIRKBPOBJJCG-NSHDSACASA-N -1 3 287.323 1.644 20 30 CDEDHM CC(=NOC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001602912204 1175449241 /nfs/dbraw/zinc/44/92/41/1175449241.db2.gz NYOIRKBPOBJJCG-NSHDSACASA-N -1 3 287.323 1.644 20 30 CDEDHM C[C@@H](C#N)OCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602989407 1175472864 /nfs/dbraw/zinc/47/28/64/1175472864.db2.gz QMWBFEWSGYGSOH-QMMMGPOBSA-N -1 3 293.714 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CC[C@@](C)(CCO)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000331214371 376739369 /nfs/dbraw/zinc/73/93/69/376739369.db2.gz MVDCIGOHSDHSPQ-ZDUSSCGKSA-N -1 3 282.344 1.104 20 30 CDEDHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000232774075 377818804 /nfs/dbraw/zinc/81/88/04/377818804.db2.gz RQCLNHQGXFMSDJ-LBPRGKRZSA-N -1 3 279.365 1.810 20 30 CDEDHM C=CCCCCCCNC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000287064682 378242184 /nfs/dbraw/zinc/24/21/84/378242184.db2.gz NLLBREDGVCMSKT-UHFFFAOYSA-N -1 3 279.340 1.352 20 30 CDEDHM C#CCO[N-]C(=O)[C@H](C)Cn1ccc2ccccc21 ZINC000291161947 378433361 /nfs/dbraw/zinc/43/33/61/378433361.db2.gz CNPABUORRVYTGV-GFCCVEGCSA-N -1 3 256.305 1.958 20 30 CDEDHM C=CCC(C)(C)CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000293886291 378601098 /nfs/dbraw/zinc/60/10/98/378601098.db2.gz YGZZNRMRDRQLTK-UHFFFAOYSA-N -1 3 286.331 1.902 20 30 CDEDHM C#CCN(C)CCCNC(=O)c1c(F)ccc([O-])c1F ZINC000293935776 378604121 /nfs/dbraw/zinc/60/41/21/378604121.db2.gz IKEIXXFCVQIVRV-UHFFFAOYSA-N -1 3 282.290 1.355 20 30 CDEDHM C#CCN(C)CCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000293987862 378608013 /nfs/dbraw/zinc/60/80/13/378608013.db2.gz NMNCXWDCAPTGQD-UHFFFAOYSA-N -1 3 298.745 1.870 20 30 CDEDHM C[C@@H](CN(C)c1cccc(C#N)c1[N+](=O)[O-])c1nnn[n-]1 ZINC000450438912 251284062 /nfs/dbraw/zinc/28/40/62/251284062.db2.gz LMAWTBTXLWEWEL-QMMMGPOBSA-N -1 3 287.283 1.219 20 30 CDEDHM C[C@@H](CN(C)c1cccc(C#N)c1[N+](=O)[O-])c1nn[n-]n1 ZINC000450438912 251284064 /nfs/dbraw/zinc/28/40/64/251284064.db2.gz LMAWTBTXLWEWEL-QMMMGPOBSA-N -1 3 287.283 1.219 20 30 CDEDHM CCCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000289459252 197357124 /nfs/dbraw/zinc/35/71/24/197357124.db2.gz GTKVWNDIBMXENR-LLVKDONJSA-N -1 3 299.396 1.550 20 30 CDEDHM CSCCO[N-]C(=O)/C=C/c1cccc(C#N)c1 ZINC000491966430 253129209 /nfs/dbraw/zinc/12/92/09/253129209.db2.gz UKFHKOZHMXPWNX-AATRIKPKSA-N -1 3 262.334 1.982 20 30 CDEDHM N#Cc1cccc(/C=C/C(=O)[N-]OCC(F)F)c1 ZINC000492601671 253253832 /nfs/dbraw/zinc/25/38/32/253253832.db2.gz FGGZSTRFTQIHCB-SNAWJCMRSA-N -1 3 252.220 1.884 20 30 CDEDHM COc1ccsc1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000332000327 533100426 /nfs/dbraw/zinc/10/04/26/533100426.db2.gz ZWMHHLUHOZRZQI-UHFFFAOYSA-N -1 3 286.378 1.729 20 30 CDEDHM C=CCCO[C@@H](C)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000288093417 197003642 /nfs/dbraw/zinc/00/36/42/197003642.db2.gz QYFMZKZEZBFTAS-NSHDSACASA-N -1 3 287.323 1.582 20 30 CDEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000121813046 390893049 /nfs/dbraw/zinc/89/30/49/390893049.db2.gz ITOYJIWCJNYTHZ-SECBINFHSA-N -1 3 287.772 1.952 20 30 CDEDHM C=C(C)COCCNC(=O)/C=C/c1cncc([O-])c1 ZINC000182117208 391201407 /nfs/dbraw/zinc/20/14/07/391201407.db2.gz DBRHUVYDDLFDJZ-ONEGZZNKSA-N -1 3 262.309 1.509 20 30 CDEDHM C[C@H]1C[C@@H](/N=C/c2ccc(O)c([O-])c2O)CCO1 ZINC000271171240 391291024 /nfs/dbraw/zinc/29/10/24/391291024.db2.gz ACSCURZGZWWIBD-JKFSHKSPSA-N -1 3 251.282 1.790 20 30 CDEDHM CC[C@](C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)OC ZINC000323225232 391395376 /nfs/dbraw/zinc/39/53/76/391395376.db2.gz NAXRKAPOCLKDKA-LLVKDONJSA-N -1 3 288.394 1.713 20 30 CDEDHM CCc1ncc(S(=O)(=O)[N-]CCCC#N)s1 ZINC000359189204 391581434 /nfs/dbraw/zinc/58/14/34/391581434.db2.gz FMJZWXDROMCPAC-UHFFFAOYSA-N -1 3 259.356 1.288 20 30 CDEDHM COc1ccc(NC(=O)C2(C#N)CCOCC2)c([O-])c1 ZINC000135416937 391725958 /nfs/dbraw/zinc/72/59/58/391725958.db2.gz LJYUSNFCQAPSFU-UHFFFAOYSA-N -1 3 276.292 1.660 20 30 CDEDHM CO[C@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000190750631 130141627 /nfs/dbraw/zinc/14/16/27/130141627.db2.gz SHXSDCYGGZJYHC-MRVPVSSYSA-N -1 3 272.301 1.011 20 30 CDEDHM CC(C)[C@H](CNC(=O)c1csc(=O)[n-]1)N1CCOCC1 ZINC000329903083 391796844 /nfs/dbraw/zinc/79/68/44/391796844.db2.gz IDMSXRBFWPAXLW-NSHDSACASA-N -1 3 299.396 1.510 20 30 CDEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000341198324 391955712 /nfs/dbraw/zinc/95/57/12/391955712.db2.gz WAWRTBCQPLHLAM-JTQLQIEISA-N -1 3 298.339 1.160 20 30 CDEDHM C=CCC(CC=C)C(=O)NCc1cnc(C)[n-]c1=O ZINC000345132894 392091170 /nfs/dbraw/zinc/09/11/70/392091170.db2.gz SHUJOEOKQKQURI-UHFFFAOYSA-N -1 3 261.325 1.875 20 30 CDEDHM Cc1ccccc1/C=C\C(=O)N[C@H]1CCCN([O-])C1=O ZINC000493651572 392682213 /nfs/dbraw/zinc/68/22/13/392682213.db2.gz WCGJVEJZLWRZCS-YXVBKTCISA-N -1 3 274.320 1.505 20 30 CDEDHM COCC1([N-]S(=O)(=O)c2cccnc2C#N)CCCC1 ZINC000517247544 392820327 /nfs/dbraw/zinc/82/03/27/392820327.db2.gz OMYWEJCFFQMJMP-UHFFFAOYSA-N -1 3 295.364 1.191 20 30 CDEDHM N#Cc1cnccc1[N-]C(=O)c1c(F)cccc1F ZINC000336010381 151194814 /nfs/dbraw/zinc/19/48/14/151194814.db2.gz VFJWJEZOFCCOLX-UHFFFAOYSA-N -1 3 259.215 1.906 20 30 CDEDHM Cc1onc(CC(=O)Nc2ccccc2[O-])c1C#N ZINC000353890292 156145493 /nfs/dbraw/zinc/14/54/93/156145493.db2.gz GYRVGSKBZHNHKK-UHFFFAOYSA-N -1 3 257.249 1.742 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001588325679 1173024949 /nfs/dbraw/zinc/02/49/49/1173024949.db2.gz SIHVXHHEVVEJAK-SNVBAGLBSA-N -1 3 284.323 1.661 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588325679 1173024957 /nfs/dbraw/zinc/02/49/57/1173024957.db2.gz SIHVXHHEVVEJAK-SNVBAGLBSA-N -1 3 284.323 1.661 20 30 CDEDHM C#CC(C)(C)N(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC001588325552 1173024776 /nfs/dbraw/zinc/02/47/76/1173024776.db2.gz OKQAQPGRHLILIW-UHFFFAOYSA-N -1 3 273.315 1.849 20 30 CDEDHM C=CCN1CCC(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663109770 413940350 /nfs/dbraw/zinc/94/03/50/413940350.db2.gz GYTXCZQEHUMJIS-AWEZNQCLSA-N -1 3 294.395 1.644 20 30 CDEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C#N)CCCC1 ZINC000040215445 174204374 /nfs/dbraw/zinc/20/43/74/174204374.db2.gz OMLFXUIGJSJWIJ-UHFFFAOYSA-N -1 3 269.326 1.406 20 30 CDEDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC#N ZINC000071587212 176214139 /nfs/dbraw/zinc/21/41/39/176214139.db2.gz ADTXWWVLAXCNIE-UHFFFAOYSA-N -1 3 260.702 1.150 20 30 CDEDHM C=C[C@H](CCC(=O)[O-])[NH2+]Cc1csc(-c2nnn[n-]2)c1 ZINC001588525905 1173074196 /nfs/dbraw/zinc/07/41/96/1173074196.db2.gz NEGKGPJFMMWHSG-SECBINFHSA-N -1 3 293.352 1.437 20 30 CDEDHM C=CC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001588539345 1173077909 /nfs/dbraw/zinc/07/79/09/1173077909.db2.gz HTFJWBOPXPDAHC-MRVPVSSYSA-N -1 3 259.269 1.383 20 30 CDEDHM C=CC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001588539345 1173077920 /nfs/dbraw/zinc/07/79/20/1173077920.db2.gz HTFJWBOPXPDAHC-MRVPVSSYSA-N -1 3 259.269 1.383 20 30 CDEDHM C=CCC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588578991 1173082876 /nfs/dbraw/zinc/08/28/76/1173082876.db2.gz IHLYVUTYGQXGAG-SECBINFHSA-N -1 3 277.303 1.745 20 30 CDEDHM C=CCC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588578991 1173082881 /nfs/dbraw/zinc/08/28/81/1173082881.db2.gz IHLYVUTYGQXGAG-SECBINFHSA-N -1 3 277.303 1.745 20 30 CDEDHM C=CCCOCC(=O)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588615966 1173087743 /nfs/dbraw/zinc/08/77/43/1173087743.db2.gz PGCLRFMOARBREL-UHFFFAOYSA-N -1 3 288.311 1.101 20 30 CDEDHM C=CCCOCC(=O)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588615966 1173087751 /nfs/dbraw/zinc/08/77/51/1173087751.db2.gz PGCLRFMOARBREL-UHFFFAOYSA-N -1 3 288.311 1.101 20 30 CDEDHM C=CCN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588626953 1173090022 /nfs/dbraw/zinc/09/00/22/1173090022.db2.gz XGLHBKOTKRAAKJ-UHFFFAOYSA-N -1 3 250.693 1.537 20 30 CDEDHM C=CCN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588626953 1173090029 /nfs/dbraw/zinc/09/00/29/1173090029.db2.gz XGLHBKOTKRAAKJ-UHFFFAOYSA-N -1 3 250.693 1.537 20 30 CDEDHM C=CCONC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588689615 1173099116 /nfs/dbraw/zinc/09/91/16/1173099116.db2.gz OHWJEWVDAPMAGP-SECBINFHSA-N -1 3 288.311 1.345 20 30 CDEDHM C=CCONC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588689615 1173099125 /nfs/dbraw/zinc/09/91/25/1173099125.db2.gz OHWJEWVDAPMAGP-SECBINFHSA-N -1 3 288.311 1.345 20 30 CDEDHM CC#CCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588746187 1173101496 /nfs/dbraw/zinc/10/14/96/1173101496.db2.gz MXBUYCBKKLUAOY-KTKRTIGZSA-N -1 3 281.319 1.410 20 30 CDEDHM CC#CCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588746187 1173101501 /nfs/dbraw/zinc/10/15/01/1173101501.db2.gz MXBUYCBKKLUAOY-KTKRTIGZSA-N -1 3 281.319 1.410 20 30 CDEDHM CC#CCCOC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588745891 1173101648 /nfs/dbraw/zinc/10/16/48/1173101648.db2.gz HTMCKHZVZZFILO-UHFFFAOYSA-N -1 3 256.265 1.437 20 30 CDEDHM CC#CCCOC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588745891 1173101655 /nfs/dbraw/zinc/10/16/55/1173101655.db2.gz HTMCKHZVZZFILO-UHFFFAOYSA-N -1 3 256.265 1.437 20 30 CDEDHM N#CCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000153879412 261084696 /nfs/dbraw/zinc/08/46/96/261084696.db2.gz BYHGVBQEVVGSCT-UHFFFAOYSA-N -1 3 297.311 1.119 20 30 CDEDHM Cn1nnc2cc(C([O-])=C(C#N)c3ccccn3)ccc21 ZINC000103798380 261287282 /nfs/dbraw/zinc/28/72/82/261287282.db2.gz MFWJNPOECSPDKW-LLVKDONJSA-N -1 3 277.287 1.853 20 30 CDEDHM C=C(C)COCC[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000162129685 262324819 /nfs/dbraw/zinc/32/48/19/262324819.db2.gz VMLHCMRDECQLIF-UHFFFAOYSA-N -1 3 287.385 1.082 20 30 CDEDHM C=CCC[C@H]([N-]S(=O)(=O)CCC(C)C)C(=O)OCC ZINC000451990256 263020550 /nfs/dbraw/zinc/02/05/50/263020550.db2.gz JDKUOSCLJXYNAM-LBPRGKRZSA-N -1 3 291.413 1.850 20 30 CDEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000491812799 269983695 /nfs/dbraw/zinc/98/36/95/269983695.db2.gz JANPBKUXINWXDI-SECBINFHSA-N -1 3 293.304 1.157 20 30 CDEDHM C=C[C@@H](CO)NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000356828661 266181626 /nfs/dbraw/zinc/18/16/26/266181626.db2.gz COOBNJSHLBLVLN-JTQLQIEISA-N -1 3 272.304 1.113 20 30 CDEDHM C[C@H](C#N)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000130621622 267123009 /nfs/dbraw/zinc/12/30/09/267123009.db2.gz JAHSCXIQXSYPLJ-SSDOTTSWSA-N -1 3 269.713 1.402 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)s1 ZINC000425186426 268259288 /nfs/dbraw/zinc/25/92/88/268259288.db2.gz AIAAPNABERGXED-DTWKUNHWSA-N -1 3 281.362 1.590 20 30 CDEDHM CCN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001590690891 1173493231 /nfs/dbraw/zinc/49/32/31/1173493231.db2.gz LLPOZFRBJDNLMF-UHFFFAOYSA-N -1 3 288.286 1.382 20 30 CDEDHM CCN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001590690891 1173493235 /nfs/dbraw/zinc/49/32/35/1173493235.db2.gz LLPOZFRBJDNLMF-UHFFFAOYSA-N -1 3 288.286 1.382 20 30 CDEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000126497921 303184679 /nfs/dbraw/zinc/18/46/79/303184679.db2.gz GZZQRIYJSOCAKH-UTUOFQBUSA-N -1 3 296.323 1.296 20 30 CDEDHM COc1cc(C(=O)N(C)[C@@H](C)CC#N)cc(OC)c1[O-] ZINC000269971594 328191345 /nfs/dbraw/zinc/19/13/45/328191345.db2.gz WAACMVKKZSMVIY-VIFPVBQESA-N -1 3 278.308 1.784 20 30 CDEDHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)CC#N)c1 ZINC000270040133 328191542 /nfs/dbraw/zinc/19/15/42/328191542.db2.gz JWWZKIHWCSQRBA-VIFPVBQESA-N -1 3 275.308 1.725 20 30 CDEDHM COc1cc(C(=O)N[C@]2(C#N)CC2(C)C)ccc1[O-] ZINC000292575234 328271906 /nfs/dbraw/zinc/27/19/06/328271906.db2.gz UYDMYXHRVHKQHF-AWEZNQCLSA-N -1 3 260.293 1.823 20 30 CDEDHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000534975492 328372656 /nfs/dbraw/zinc/37/26/56/328372656.db2.gz LIMIMNRCHQQZLZ-GFCCVEGCSA-N -1 3 270.329 1.937 20 30 CDEDHM C=CCOCCCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000173751120 329148320 /nfs/dbraw/zinc/14/83/20/329148320.db2.gz GGDGHJBNATYQST-UHFFFAOYSA-N -1 3 287.323 1.788 20 30 CDEDHM C=CCOCCCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000173751120 329148321 /nfs/dbraw/zinc/14/83/21/329148321.db2.gz GGDGHJBNATYQST-UHFFFAOYSA-N -1 3 287.323 1.788 20 30 CDEDHM C=CCOCCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000173751120 329148322 /nfs/dbraw/zinc/14/83/22/329148322.db2.gz GGDGHJBNATYQST-UHFFFAOYSA-N -1 3 287.323 1.788 20 30 CDEDHM C=C(C)COCC[N-]S(=O)(=O)c1sc(C)nc1C ZINC000177874482 329193648 /nfs/dbraw/zinc/19/36/48/329193648.db2.gz LRXLTKMQTWLBFJ-UHFFFAOYSA-N -1 3 290.410 1.631 20 30 CDEDHM C=CCCS(=O)(=O)[N-]c1cnn(-c2ccccn2)c1 ZINC000533202432 330353341 /nfs/dbraw/zinc/35/33/41/330353341.db2.gz OXFGGQMJUUHAFG-UHFFFAOYSA-N -1 3 278.337 1.585 20 30 CDEDHM N#C[C@H]1CC[C@@H](NC(=O)c2c[n-]c3ccncc3c2=O)C1 ZINC000516966419 330491853 /nfs/dbraw/zinc/49/18/53/330491853.db2.gz NTGFMGQXOORZDD-VHSXEESVSA-N -1 3 282.303 1.345 20 30 CDEDHM 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/nfs/dbraw/zinc/72/58/02/1164725802.db2.gz IVKNBJVTKKNYQN-ZETCQYMHSA-N -1 3 261.310 1.022 20 30 CDEDHM C=CCO[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001609058499 1164752628 /nfs/dbraw/zinc/75/26/28/1164752628.db2.gz BWFBOJYXRKOUEO-ZDUSSCGKSA-N -1 3 299.334 1.284 20 30 CDEDHM C=CCO[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001609058499 1164752631 /nfs/dbraw/zinc/75/26/31/1164752631.db2.gz BWFBOJYXRKOUEO-ZDUSSCGKSA-N -1 3 299.334 1.284 20 30 CDEDHM CC(Cn1cccn1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609116691 1164781173 /nfs/dbraw/zinc/78/11/73/1164781173.db2.gz WZLMOYXUMIMQGZ-UHFFFAOYSA-N -1 3 282.311 1.551 20 30 CDEDHM CC(Cn1cccn1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609116691 1164781181 /nfs/dbraw/zinc/78/11/81/1164781181.db2.gz WZLMOYXUMIMQGZ-UHFFFAOYSA-N -1 3 282.311 1.551 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609183008 1164821837 /nfs/dbraw/zinc/82/18/37/1164821837.db2.gz RIXDNDOUCRSQGO-HNNXBMFYSA-N -1 3 298.350 1.765 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609183008 1164821847 /nfs/dbraw/zinc/82/18/47/1164821847.db2.gz RIXDNDOUCRSQGO-HNNXBMFYSA-N -1 3 298.350 1.765 20 30 CDEDHM C=C(Br)CN[C@]1(CC(=O)[O-])CCCOC1 ZINC001609189938 1164829206 /nfs/dbraw/zinc/82/92/06/1164829206.db2.gz LTPZSDAMKPWKPR-JTQLQIEISA-N -1 3 278.146 1.509 20 30 CDEDHM Cn1nccc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001609483306 1164970802 /nfs/dbraw/zinc/97/08/02/1164970802.db2.gz VRYHAKOPPIZJCP-XFFZJAGNSA-N -1 3 292.302 1.423 20 30 CDEDHM Cn1nccc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001609483306 1164970805 /nfs/dbraw/zinc/97/08/05/1164970805.db2.gz VRYHAKOPPIZJCP-XFFZJAGNSA-N -1 3 292.302 1.423 20 30 CDEDHM N#Cc1c[nH]nc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001609500791 1164977844 /nfs/dbraw/zinc/97/78/44/1164977844.db2.gz YEBLSJUQROQBIZ-UHFFFAOYSA-N -1 3 266.268 1.074 20 30 CDEDHM N#Cc1c[nH]nc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001609500791 1164977848 /nfs/dbraw/zinc/97/78/48/1164977848.db2.gz YEBLSJUQROQBIZ-UHFFFAOYSA-N -1 3 266.268 1.074 20 30 CDEDHM N#C[C@@H]1CC[C@H](N[C@@H](C(=O)[O-])c2cccc(O)c2)C1 ZINC001610620831 1165381679 /nfs/dbraw/zinc/38/16/79/1165381679.db2.gz WEEWOTVDCJYALI-SUZMYJTESA-N -1 3 260.293 1.800 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588325810 1173026262 /nfs/dbraw/zinc/02/62/62/1173026262.db2.gz WITRPDQDIDGMEJ-MNOVXSKESA-N -1 3 298.350 1.591 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588325810 1173026263 /nfs/dbraw/zinc/02/62/63/1173026263.db2.gz WITRPDQDIDGMEJ-MNOVXSKESA-N -1 3 298.350 1.591 20 30 CDEDHM C#C[C@H](CC)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588326234 1173026711 /nfs/dbraw/zinc/02/67/11/1173026711.db2.gz HOOPFBBBYHCJOT-GHMZBOCLSA-N -1 3 299.334 1.162 20 30 CDEDHM C#C[C@H](CC)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588326234 1173026721 /nfs/dbraw/zinc/02/67/21/1173026721.db2.gz HOOPFBBBYHCJOT-GHMZBOCLSA-N -1 3 299.334 1.162 20 30 CDEDHM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)C(C)C ZINC001588329800 1173030502 /nfs/dbraw/zinc/03/05/02/1173030502.db2.gz NYCYFBZRNSYXNC-ZDUSSCGKSA-N -1 3 283.335 1.563 20 30 CDEDHM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)C(C)C ZINC001588329800 1173030507 /nfs/dbraw/zinc/03/05/07/1173030507.db2.gz NYCYFBZRNSYXNC-ZDUSSCGKSA-N -1 3 283.335 1.563 20 30 CDEDHM C#C[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588332109 1173033533 /nfs/dbraw/zinc/03/35/33/1173033533.db2.gz GNPFNNVMIHMQMD-CYBMUJFWSA-N -1 3 296.334 1.886 20 30 CDEDHM C#C[C@@H]1CCCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588332109 1173033538 /nfs/dbraw/zinc/03/35/38/1173033538.db2.gz GNPFNNVMIHMQMD-CYBMUJFWSA-N -1 3 296.334 1.886 20 30 CDEDHM C#CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC001588341837 1173043149 /nfs/dbraw/zinc/04/31/49/1173043149.db2.gz QWLOGQCCPRVNBB-UHFFFAOYSA-N -1 3 270.292 1.713 20 30 CDEDHM C#CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC001588341837 1173043156 /nfs/dbraw/zinc/04/31/56/1173043156.db2.gz QWLOGQCCPRVNBB-UHFFFAOYSA-N -1 3 270.292 1.713 20 30 CDEDHM C#CCCCOC(=O)c1cscc1-c1nnn[n-]1 ZINC001588345662 1173045251 /nfs/dbraw/zinc/04/52/51/1173045251.db2.gz NYPVYKFFCREOCU-UHFFFAOYSA-N -1 3 262.294 1.498 20 30 CDEDHM C#CCCCOC(=O)c1cscc1-c1nn[n-]n1 ZINC001588345662 1173045257 /nfs/dbraw/zinc/04/52/57/1173045257.db2.gz NYPVYKFFCREOCU-UHFFFAOYSA-N -1 3 262.294 1.498 20 30 CDEDHM C=CC[C@H](CO)Nc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001588545973 1173081282 /nfs/dbraw/zinc/08/12/82/1173081282.db2.gz SQOHFYBCNQYCCY-SNVBAGLBSA-N -1 3 297.322 1.159 20 30 CDEDHM C=CC[C@H](CO)Nc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001588545973 1173081287 /nfs/dbraw/zinc/08/12/87/1173081287.db2.gz SQOHFYBCNQYCCY-SNVBAGLBSA-N -1 3 297.322 1.159 20 30 CDEDHM C=CCCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588600496 1173085087 /nfs/dbraw/zinc/08/50/87/1173085087.db2.gz DLUTXFNOTYRZRB-KTKRTIGZSA-N -1 3 283.335 1.962 20 30 CDEDHM C=CCCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588600496 1173085092 /nfs/dbraw/zinc/08/50/92/1173085092.db2.gz DLUTXFNOTYRZRB-KTKRTIGZSA-N -1 3 283.335 1.962 20 30 CDEDHM CC(=NN[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001588776191 1173106048 /nfs/dbraw/zinc/10/60/48/1173106048.db2.gz CVQSYWPCLNFSAC-JTQLQIEISA-N -1 3 290.302 1.108 20 30 CDEDHM CC(=NN[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001588776191 1173106051 /nfs/dbraw/zinc/10/60/51/1173106051.db2.gz CVQSYWPCLNFSAC-JTQLQIEISA-N -1 3 290.302 1.108 20 30 CDEDHM C[C@@H](C#N)OCCN1CCc2c1cccc2-c1nnn[n-]1 ZINC001588934456 1173114429 /nfs/dbraw/zinc/11/44/29/1173114429.db2.gz MSTWYWMKMMQYGP-JTQLQIEISA-N -1 3 284.323 1.158 20 30 CDEDHM C[C@@H](C#N)OCCN1CCc2c1cccc2-c1nn[n-]n1 ZINC001588934456 1173114433 /nfs/dbraw/zinc/11/44/33/1173114433.db2.gz MSTWYWMKMMQYGP-JTQLQIEISA-N -1 3 284.323 1.158 20 30 CDEDHM C[C@H](NC(=O)[C@@H]1C[C@@H]1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589938358 1173206125 /nfs/dbraw/zinc/20/61/25/1173206125.db2.gz YNWRVIIFPQVUFA-XXILOJSOSA-N -1 3 282.307 1.204 20 30 CDEDHM C[C@H](NC(=O)[C@@H]1C[C@@H]1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589938358 1173206129 /nfs/dbraw/zinc/20/61/29/1173206129.db2.gz YNWRVIIFPQVUFA-XXILOJSOSA-N -1 3 282.307 1.204 20 30 CDEDHM CC1(C#N)CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590056604 1173242887 /nfs/dbraw/zinc/24/28/87/1173242887.db2.gz NPZLDXKFKMVIIN-UHFFFAOYSA-N -1 3 285.267 1.125 20 30 CDEDHM CC1(C#N)CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590056604 1173242890 /nfs/dbraw/zinc/24/28/90/1173242890.db2.gz NPZLDXKFKMVIIN-UHFFFAOYSA-N -1 3 285.267 1.125 20 30 CDEDHM C[C@@H]1COCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001590326874 1173358702 /nfs/dbraw/zinc/35/87/02/1173358702.db2.gz XLQTYQPLOPTCIN-SNVBAGLBSA-N -1 3 286.339 1.369 20 30 CDEDHM C[C@@H]1COCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001590326874 1173358704 /nfs/dbraw/zinc/35/87/04/1173358704.db2.gz XLQTYQPLOPTCIN-SNVBAGLBSA-N -1 3 286.339 1.369 20 30 CDEDHM CC[C@H](C#N)OC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001590367543 1173377593 /nfs/dbraw/zinc/37/75/93/1173377593.db2.gz CJMWJTAVYCJTML-GFCCVEGCSA-N -1 3 299.334 1.871 20 30 CDEDHM CC[C@H](C#N)OC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001590367543 1173377598 /nfs/dbraw/zinc/37/75/98/1173377598.db2.gz CJMWJTAVYCJTML-GFCCVEGCSA-N -1 3 299.334 1.871 20 30 CDEDHM CCn1cc(Nc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001590955123 1173548951 /nfs/dbraw/zinc/54/89/51/1173548951.db2.gz OKXMFPSOFCSCDW-UHFFFAOYSA-N -1 3 280.295 1.698 20 30 CDEDHM CCn1cc(Nc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001590955123 1173548958 /nfs/dbraw/zinc/54/89/58/1173548958.db2.gz OKXMFPSOFCSCDW-UHFFFAOYSA-N -1 3 280.295 1.698 20 30 CDEDHM CN(CCC#N)C(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001591062134 1173567603 /nfs/dbraw/zinc/56/76/03/1173567603.db2.gz PNXICBOZFJHRJK-UHFFFAOYSA-N -1 3 295.306 1.334 20 30 CDEDHM CN(CCC#N)C(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001591062134 1173567612 /nfs/dbraw/zinc/56/76/12/1173567612.db2.gz PNXICBOZFJHRJK-UHFFFAOYSA-N -1 3 295.306 1.334 20 30 CDEDHM COCc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)no1 ZINC001591455975 1173654691 /nfs/dbraw/zinc/65/46/91/1173654691.db2.gz TUXVXPAETZYHME-UHFFFAOYSA-N -1 3 299.294 1.447 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)O[C@@H]1CC[C@H](C#N)C1 ZINC001591882552 1173735428 /nfs/dbraw/zinc/73/54/28/1173735428.db2.gz SHEZBZNMDNSZOO-GXSJLCMTSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)O[C@@H]1CC[C@H](C#N)C1 ZINC001591882552 1173735433 /nfs/dbraw/zinc/73/54/33/1173735433.db2.gz SHEZBZNMDNSZOO-GXSJLCMTSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1cc(C#N)c(=O)n(Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001591906075 1173744077 /nfs/dbraw/zinc/74/40/77/1173744077.db2.gz TYLOSODWABUYMD-UHFFFAOYSA-N -1 3 292.302 1.257 20 30 CDEDHM Cc1cc(C#N)c(=O)n(Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001591906075 1173744081 /nfs/dbraw/zinc/74/40/81/1173744081.db2.gz TYLOSODWABUYMD-UHFFFAOYSA-N -1 3 292.302 1.257 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)CC#N ZINC001592099045 1173798590 /nfs/dbraw/zinc/79/85/90/1173798590.db2.gz GMHOGWIGNWJXSM-SECBINFHSA-N -1 3 271.280 1.634 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)CC#N ZINC001592099045 1173798598 /nfs/dbraw/zinc/79/85/98/1173798598.db2.gz GMHOGWIGNWJXSM-SECBINFHSA-N -1 3 271.280 1.634 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001592340867 1173862064 /nfs/dbraw/zinc/86/20/64/1173862064.db2.gz LHNZUVPNKSCOEM-AXFHLTTASA-N -1 3 281.323 1.456 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001592340867 1173862068 /nfs/dbraw/zinc/86/20/68/1173862068.db2.gz LHNZUVPNKSCOEM-AXFHLTTASA-N -1 3 281.323 1.456 20 30 CDEDHM Fc1cccc(N=NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592657744 1173955690 /nfs/dbraw/zinc/95/56/90/1173955690.db2.gz FYQZKYFBYNIITA-UHFFFAOYSA-N -1 3 283.270 1.847 20 30 CDEDHM N#CCCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001592676212 1173964954 /nfs/dbraw/zinc/96/49/54/1173964954.db2.gz GCDRFJJOLNOYIW-UHFFFAOYSA-N -1 3 288.286 1.429 20 30 CDEDHM N#CCCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001592676212 1173964957 /nfs/dbraw/zinc/96/49/57/1173964957.db2.gz GCDRFJJOLNOYIW-UHFFFAOYSA-N -1 3 288.286 1.429 20 30 CDEDHM N#Cc1ccc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)nn1 ZINC001592694979 1173972689 /nfs/dbraw/zinc/97/26/89/1173972689.db2.gz CIXXXQQWRCNJER-UHFFFAOYSA-N -1 3 290.290 1.049 20 30 CDEDHM N#Cc1ccc(N2Cc3ccc(-c4nn[n-]n4)cc3C2)nn1 ZINC001592694979 1173972700 /nfs/dbraw/zinc/97/27/00/1173972700.db2.gz CIXXXQQWRCNJER-UHFFFAOYSA-N -1 3 290.290 1.049 20 30 CDEDHM N#Cc1ccc2c(c1)CN(c1ncccc1-c1nnn[n-]1)C2 ZINC001592698387 1173973833 /nfs/dbraw/zinc/97/38/33/1173973833.db2.gz ZBLBQNCTKROLPE-UHFFFAOYSA-N -1 3 289.302 1.654 20 30 CDEDHM N#Cc1ccc2c(c1)CN(c1ncccc1-c1nn[n-]n1)C2 ZINC001592698387 1173973840 /nfs/dbraw/zinc/97/38/40/1173973840.db2.gz ZBLBQNCTKROLPE-UHFFFAOYSA-N -1 3 289.302 1.654 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC(C2CC2)C1 ZINC001592698254 1173975350 /nfs/dbraw/zinc/97/53/50/1173975350.db2.gz RNAUTYJNBCSQSQ-UHFFFAOYSA-N -1 3 266.308 1.585 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC(C2CC2)C1 ZINC001592698254 1173975354 /nfs/dbraw/zinc/97/53/54/1173975354.db2.gz RNAUTYJNBCSQSQ-UHFFFAOYSA-N -1 3 266.308 1.585 20 30 CDEDHM N#Cc1csc(C=NNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592705798 1173978581 /nfs/dbraw/zinc/97/85/81/1173978581.db2.gz DSAWCFSRYGCYLO-UHFFFAOYSA-N -1 3 296.319 1.641 20 30 CDEDHM N#Cc1nccn1Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001592710003 1173980177 /nfs/dbraw/zinc/98/01/77/1173980177.db2.gz SBBAOCKTBMXUDN-UHFFFAOYSA-N -1 3 285.698 1.637 20 30 CDEDHM Cc1cc(C#N)ccc1C(=O)O[C@H]1C[C@@H](C(=O)[O-])N(C)C1 ZINC001600075268 1174352817 /nfs/dbraw/zinc/35/28/17/1174352817.db2.gz QGAZCVYUNPDNAM-AAEUAGOBSA-N -1 3 288.303 1.181 20 30 CDEDHM N#Cc1ccc(CN[C@]2(CC(=O)[O-])CCOC2)c(Cl)c1 ZINC001601101716 1174744178 /nfs/dbraw/zinc/74/41/78/1174744178.db2.gz GLSGNWVXMDRVPZ-AWEZNQCLSA-N -1 3 294.738 1.935 20 30 CDEDHM C#CC1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001602696389 1175360703 /nfs/dbraw/zinc/36/07/03/1175360703.db2.gz IBDBJHHDEDWBBF-UHFFFAOYSA-N -1 3 274.353 1.481 20 30 CDEDHM C#CC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)ccn2)C1 ZINC001602698936 1175362896 /nfs/dbraw/zinc/36/28/96/1175362896.db2.gz AWKRKMBHBUSMMF-LLVKDONJSA-N -1 3 268.324 1.501 20 30 CDEDHM 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/nfs/dbraw/zinc/86/45/77/1164864577.db2.gz FRFJTYHMYLDMPM-PHIMTYICSA-N -1 3 284.323 1.718 20 30 CDEDHM CCO[C@H]1C[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001609241947 1164864582 /nfs/dbraw/zinc/86/45/82/1164864582.db2.gz FRFJTYHMYLDMPM-PHIMTYICSA-N -1 3 284.323 1.718 20 30 CDEDHM COc1cccc(C=NNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001609360709 1164911250 /nfs/dbraw/zinc/91/12/50/1164911250.db2.gz JAVDLGLQPFOOPM-UHFFFAOYSA-N -1 3 295.306 1.716 20 30 CDEDHM Cc1cc(NCC2(C#N)CCC2)c(-c2nnn[n-]2)cn1 ZINC001609409544 1164934110 /nfs/dbraw/zinc/93/41/10/1164934110.db2.gz NKEXAWMIRWBDEG-UHFFFAOYSA-N -1 3 269.312 1.098 20 30 CDEDHM Cc1cc(NCC2(C#N)CCC2)c(-c2nn[n-]n2)cn1 ZINC001609409544 1164934113 /nfs/dbraw/zinc/93/41/13/1164934113.db2.gz NKEXAWMIRWBDEG-UHFFFAOYSA-N -1 3 269.312 1.098 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCC[C@@H]1CCOC1 ZINC001609499818 1164978844 /nfs/dbraw/zinc/97/88/44/1164978844.db2.gz LCAKRZAPQHLNJV-LLVKDONJSA-N -1 3 298.350 1.967 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCC[C@@H]1CCOC1 ZINC001609499818 1164978851 /nfs/dbraw/zinc/97/88/51/1164978851.db2.gz LCAKRZAPQHLNJV-LLVKDONJSA-N -1 3 298.350 1.967 20 30 CDEDHM N#Cc1cnn(Cc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001643872311 1167276692 /nfs/dbraw/zinc/27/66/92/1167276692.db2.gz FNDDBHFJCGZAEO-UHFFFAOYSA-N -1 3 277.287 1.966 20 30 CDEDHM COCCn1cc(C([O-])=C(C#N)c2nccn2C)c(C)n1 ZINC001646844401 1168189331 /nfs/dbraw/zinc/18/93/31/1168189331.db2.gz VBFPXPWSMGDLBV-LLVKDONJSA-N -1 3 287.323 1.062 20 30 CDEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)c(F)c2)nn1 ZINC001581873865 1172625890 /nfs/dbraw/zinc/62/58/90/1172625890.db2.gz TUYBHEXVZATPJH-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)c(F)c2)nn1 ZINC001581873865 1172625897 /nfs/dbraw/zinc/62/58/97/1172625897.db2.gz TUYBHEXVZATPJH-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM C#C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CCOCC1 ZINC001588328263 1173031634 /nfs/dbraw/zinc/03/16/34/1173031634.db2.gz CHXUTQJVAQFCJK-GFCCVEGCSA-N -1 3 284.323 1.102 20 30 CDEDHM C#C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CCOCC1 ZINC001588328263 1173031637 /nfs/dbraw/zinc/03/16/37/1173031637.db2.gz CHXUTQJVAQFCJK-GFCCVEGCSA-N -1 3 284.323 1.102 20 30 CDEDHM C#CC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001588337589 1173043295 /nfs/dbraw/zinc/04/32/95/1173043295.db2.gz STDMHSAQKOGBIF-SNVBAGLBSA-N -1 3 298.306 1.625 20 30 CDEDHM C#CCN(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588350290 1173051479 /nfs/dbraw/zinc/05/14/79/1173051479.db2.gz NCJPACCOPSYVOU-UHFFFAOYSA-N -1 3 270.296 1.354 20 30 CDEDHM C#CCN(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588350290 1173051485 /nfs/dbraw/zinc/05/14/85/1173051485.db2.gz NCJPACCOPSYVOU-UHFFFAOYSA-N -1 3 270.296 1.354 20 30 CDEDHM C=C1CN(C(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588463048 1173066443 /nfs/dbraw/zinc/06/64/43/1173066443.db2.gz XYVNNDMNJOJLNO-UHFFFAOYSA-N -1 3 283.335 1.543 20 30 CDEDHM C=C1CN(C(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588463048 1173066447 /nfs/dbraw/zinc/06/64/47/1173066447.db2.gz XYVNNDMNJOJLNO-UHFFFAOYSA-N -1 3 283.335 1.543 20 30 CDEDHM C=C[C@H](C)Nc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001588515563 1173070736 /nfs/dbraw/zinc/07/07/36/1173070736.db2.gz DRZDZHFSODSSEF-QMMMGPOBSA-N -1 3 267.296 1.796 20 30 CDEDHM C=C[C@H](C)Nc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001588515563 1173070743 /nfs/dbraw/zinc/07/07/43/1173070743.db2.gz DRZDZHFSODSSEF-QMMMGPOBSA-N -1 3 267.296 1.796 20 30 CDEDHM C=C[C@@H](C)ONC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001588518961 1173072509 /nfs/dbraw/zinc/07/25/09/1173072509.db2.gz PAPKUKZBUZVCGA-SSDOTTSWSA-N -1 3 294.340 1.234 20 30 CDEDHM C=CC[C@H](CO)CNc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588545949 1173080252 /nfs/dbraw/zinc/08/02/52/1173080252.db2.gz SGKUTWOEZXOEIC-JTQLQIEISA-N -1 3 274.328 1.167 20 30 CDEDHM C=CC[C@H](CO)CNc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588545949 1173080258 /nfs/dbraw/zinc/08/02/58/1173080258.db2.gz SGKUTWOEZXOEIC-JTQLQIEISA-N -1 3 274.328 1.167 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588564544 1173081984 /nfs/dbraw/zinc/08/19/84/1173081984.db2.gz NYVQLDBHYYMOER-JTQLQIEISA-N -1 3 287.298 1.796 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588564544 1173081989 /nfs/dbraw/zinc/08/19/89/1173081989.db2.gz NYVQLDBHYYMOER-JTQLQIEISA-N -1 3 287.298 1.796 20 30 CDEDHM C=CCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1C(C)=O ZINC001588576249 1173082093 /nfs/dbraw/zinc/08/20/93/1173082093.db2.gz JHJBILXSDJYJDI-UHFFFAOYSA-N -1 3 285.307 1.974 20 30 CDEDHM C=CCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1C(C)=O ZINC001588576249 1173082097 /nfs/dbraw/zinc/08/20/97/1173082097.db2.gz JHJBILXSDJYJDI-UHFFFAOYSA-N -1 3 285.307 1.974 20 30 CDEDHM C=CCCONC(=O)c1cscc1-c1nnn[n-]1 ZINC001588618168 1173090301 /nfs/dbraw/zinc/09/03/01/1173090301.db2.gz WPORFNMLBKIXBC-UHFFFAOYSA-N -1 3 265.298 1.166 20 30 CDEDHM C=CCCONC(=O)c1cscc1-c1nn[n-]n1 ZINC001588618168 1173090307 /nfs/dbraw/zinc/09/03/07/1173090307.db2.gz WPORFNMLBKIXBC-UHFFFAOYSA-N -1 3 265.298 1.166 20 30 CDEDHM C=CCOCCN1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001588682082 1173096045 /nfs/dbraw/zinc/09/60/45/1173096045.db2.gz AZXNLQXYESIIQC-UHFFFAOYSA-N -1 3 271.324 1.432 20 30 CDEDHM C=CCOCCN1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001588682082 1173096050 /nfs/dbraw/zinc/09/60/50/1173096050.db2.gz AZXNLQXYESIIQC-UHFFFAOYSA-N -1 3 271.324 1.432 20 30 CDEDHM C=CCN1CC[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588657794 1173097853 /nfs/dbraw/zinc/09/78/53/1173097853.db2.gz WSQLVAHJBVHLGO-LBPRGKRZSA-N -1 3 285.307 1.032 20 30 CDEDHM C[C@@H](C#N)CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588931456 1173115823 /nfs/dbraw/zinc/11/58/23/1173115823.db2.gz ZZAZLFGQINZBTQ-QMMMGPOBSA-N -1 3 287.283 1.371 20 30 CDEDHM CC(C)(C)C#CC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001589067755 1173122339 /nfs/dbraw/zinc/12/23/39/1173122339.db2.gz FPZVMSCEFDKHGM-UHFFFAOYSA-N -1 3 295.346 1.758 20 30 CDEDHM CC(C)(C)C#CC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001589067755 1173122345 /nfs/dbraw/zinc/12/23/45/1173122345.db2.gz FPZVMSCEFDKHGM-UHFFFAOYSA-N -1 3 295.346 1.758 20 30 CDEDHM C[C@@H](CC#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589788075 1173181712 /nfs/dbraw/zinc/18/17/12/1173181712.db2.gz SXOIPKZZMIQQKM-GFVADAIESA-N -1 3 282.307 1.298 20 30 CDEDHM C[C@@H](CC#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589788075 1173181727 /nfs/dbraw/zinc/18/17/27/1173181727.db2.gz SXOIPKZZMIQQKM-GFVADAIESA-N -1 3 282.307 1.298 20 30 CDEDHM C[C@H](NC(=O)C#CC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589912126 1173203474 /nfs/dbraw/zinc/20/34/74/1173203474.db2.gz FUJNPUNCFJRKDA-JTQLQIEISA-N -1 3 281.319 1.457 20 30 CDEDHM C[C@H](NC(=O)C#CC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589912126 1173203479 /nfs/dbraw/zinc/20/34/79/1173203479.db2.gz FUJNPUNCFJRKDA-JTQLQIEISA-N -1 3 281.319 1.457 20 30 CDEDHM C[C@@]1(CO)CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590135935 1173269042 /nfs/dbraw/zinc/26/90/42/1173269042.db2.gz OQCUBODWGMFDBS-OAHLLOKOSA-N -1 3 298.350 1.337 20 30 CDEDHM C[C@@]1(CO)CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590135935 1173269047 /nfs/dbraw/zinc/26/90/47/1173269047.db2.gz OQCUBODWGMFDBS-OAHLLOKOSA-N -1 3 298.350 1.337 20 30 CDEDHM CCC(=NN[C@H](C)COC)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358687 1173372351 /nfs/dbraw/zinc/37/23/51/1173372351.db2.gz CEBHQIIBQMTDMS-SNVBAGLBSA-N -1 3 288.355 1.605 20 30 CDEDHM CCC(=NN[C@H](C)COC)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358687 1173372355 /nfs/dbraw/zinc/37/23/55/1173372355.db2.gz CEBHQIIBQMTDMS-SNVBAGLBSA-N -1 3 288.355 1.605 20 30 CDEDHM CC[C@@H](C#N)C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001590367389 1173377747 /nfs/dbraw/zinc/37/77/47/1173377747.db2.gz PIABQCAAEYGXJT-VIFPVBQESA-N -1 3 282.307 1.306 20 30 CDEDHM CC[C@@H](C#N)C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001590367389 1173377753 /nfs/dbraw/zinc/37/77/53/1173377753.db2.gz PIABQCAAEYGXJT-VIFPVBQESA-N -1 3 282.307 1.306 20 30 CDEDHM CC[C@H](C#N)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590367881 1173378366 /nfs/dbraw/zinc/37/83/66/1173378366.db2.gz LYVLLGLEFLPWGD-JLVNDZCYSA-N -1 3 296.334 1.640 20 30 CDEDHM CC[C@H](C#N)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590367881 1173378373 /nfs/dbraw/zinc/37/83/73/1173378373.db2.gz LYVLLGLEFLPWGD-JLVNDZCYSA-N -1 3 296.334 1.640 20 30 CDEDHM CC[C@H](C#N)N(C)C(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001590367573 1173378404 /nfs/dbraw/zinc/37/84/04/1173378404.db2.gz DOJINVUFXSJPET-GFCCVEGCSA-N -1 3 298.350 1.858 20 30 CDEDHM CC[C@H](C#N)N(C)C(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001590367573 1173378408 /nfs/dbraw/zinc/37/84/08/1173378408.db2.gz DOJINVUFXSJPET-GFCCVEGCSA-N -1 3 298.350 1.858 20 30 CDEDHM CCCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590634514 1173477810 /nfs/dbraw/zinc/47/78/10/1173477810.db2.gz HSCGSVXFXJHSQL-LBPRGKRZSA-N -1 3 284.323 1.075 20 30 CDEDHM CN(Cc1cc(F)ccc1-c1nn[n-]n1)CC(C)(C)C#N ZINC001591130751 1173573593 /nfs/dbraw/zinc/57/35/93/1173573593.db2.gz RODXHHVEOMIOAB-UHFFFAOYSA-N -1 3 288.330 1.987 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCC[C@H]1C#N ZINC001591135057 1173574625 /nfs/dbraw/zinc/57/46/25/1173574625.db2.gz JXLOVBODUWGANG-UONOGXRCSA-N -1 3 282.351 1.991 20 30 CDEDHM Cc1cc(C(=O)N[C@](C)(C#N)C(C)C)ncc1-c1nnn[n-]1 ZINC001591918547 1173747327 /nfs/dbraw/zinc/74/73/27/1173747327.db2.gz DCGLBNJIMCMAEF-CQSZACIVSA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1cc(C(=O)N[C@](C)(C#N)C(C)C)ncc1-c1nn[n-]n1 ZINC001591918547 1173747333 /nfs/dbraw/zinc/74/73/33/1173747333.db2.gz DCGLBNJIMCMAEF-CQSZACIVSA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001592340827 1173861586 /nfs/dbraw/zinc/86/15/86/1173861586.db2.gz KPTVFWPMMQKIGB-NHCYSSNCSA-N -1 3 299.338 1.201 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001592340827 1173861590 /nfs/dbraw/zinc/86/15/90/1173861590.db2.gz KPTVFWPMMQKIGB-NHCYSSNCSA-N -1 3 299.338 1.201 20 30 CDEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NOCC1CC1 ZINC001592634490 1173944369 /nfs/dbraw/zinc/94/43/69/1173944369.db2.gz WKLUWRZRNFYNNH-UHFFFAOYSA-N -1 3 261.260 1.766 20 30 CDEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NOCC1CC1 ZINC001592634490 1173944374 /nfs/dbraw/zinc/94/43/74/1173944374.db2.gz WKLUWRZRNFYNNH-UHFFFAOYSA-N -1 3 261.260 1.766 20 30 CDEDHM N#CCC1(CNc2ccc(-c3nn[n-]n3)cc2CO)CC1 ZINC001592674257 1173967319 /nfs/dbraw/zinc/96/73/19/1173967319.db2.gz BZRYZVMBMAZPPO-UHFFFAOYSA-N -1 3 284.323 1.465 20 30 CDEDHM N#Cc1cc(NC(=O)c2ccncc2)ccc1-c1nnn[n-]1 ZINC001592690196 1173972342 /nfs/dbraw/zinc/97/23/42/1173972342.db2.gz PFLSFTBXLQLEMR-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1cc(NC(=O)c2ccncc2)ccc1-c1nn[n-]n1 ZINC001592690196 1173972344 /nfs/dbraw/zinc/97/23/44/1173972344.db2.gz PFLSFTBXLQLEMR-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1(O)CCC1 ZINC001592698799 1173974282 /nfs/dbraw/zinc/97/42/82/1173974282.db2.gz IIQRAPCICUORIF-UHFFFAOYSA-N -1 3 270.296 1.065 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1(O)CCC1 ZINC001592698799 1173974285 /nfs/dbraw/zinc/97/42/85/1173974285.db2.gz IIQRAPCICUORIF-UHFFFAOYSA-N -1 3 270.296 1.065 20 30 CDEDHM N#Cc1cnc(NCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001592704867 1173978684 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C#C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001602687273 1175352880 /nfs/dbraw/zinc/35/28/80/1175352880.db2.gz AXGGMIMZZWTYCH-ZDUSSCGKSA-N -1 3 298.350 1.324 20 30 CDEDHM C#C[C@@H]1CCCC[C@@H]1OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001602691483 1175357381 /nfs/dbraw/zinc/35/73/81/1175357381.db2.gz YNSQHJSUDLSNFS-SKDRFNHKSA-N -1 3 285.307 1.544 20 30 CDEDHM C#C[C@@H]1CCCC[C@@H]1OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001602691483 1175357388 /nfs/dbraw/zinc/35/73/88/1175357388.db2.gz YNSQHJSUDLSNFS-SKDRFNHKSA-N -1 3 285.307 1.544 20 30 CDEDHM C#CCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602712065 1175369394 /nfs/dbraw/zinc/36/93/94/1175369394.db2.gz CWRUWZCTLBDUBS-CMDGGOBGSA-N -1 3 268.276 1.446 20 30 CDEDHM C#CCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602712065 1175369402 /nfs/dbraw/zinc/36/94/02/1175369402.db2.gz CWRUWZCTLBDUBS-CMDGGOBGSA-N -1 3 268.276 1.446 20 30 CDEDHM C=C(C)CNC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001602762815 1175391829 /nfs/dbraw/zinc/39/18/29/1175391829.db2.gz 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N#CC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000344470441 534547447 /nfs/dbraw/zinc/54/74/47/534547447.db2.gz WYHJJPNZTOBYEM-UHFFFAOYSA-N -1 3 298.306 1.126 20 30 CDEDHM N#CC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000344470441 534547452 /nfs/dbraw/zinc/54/74/52/534547452.db2.gz WYHJJPNZTOBYEM-UHFFFAOYSA-N -1 3 298.306 1.126 20 30 CDEDHM Cc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)[n-]c(=O)n1 ZINC000340650981 524144051 /nfs/dbraw/zinc/14/40/51/524144051.db2.gz XEQJYVCQALMVIH-SNVBAGLBSA-N -1 3 282.303 1.853 20 30 CDEDHM C=CCOCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000354537284 526725082 /nfs/dbraw/zinc/72/50/82/526725082.db2.gz ISLOKJKGYQHQHO-UHFFFAOYSA-N -1 3 284.337 1.199 20 30 CDEDHM C=C1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000336137088 526899489 /nfs/dbraw/zinc/89/94/89/526899489.db2.gz SYNJAMQVGIHGMB-UHFFFAOYSA-N -1 3 294.376 1.850 20 30 CDEDHM CCCC[C@@H]([N-]S(=O)(=O)CCCCC#N)C(=O)OC ZINC000354703711 528857518 /nfs/dbraw/zinc/85/75/18/528857518.db2.gz HBYIAXIHRITQEH-LLVKDONJSA-N -1 3 290.385 1.331 20 30 CDEDHM CC1(C)CC[C@H](CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)O1 ZINC000330256796 529038113 /nfs/dbraw/zinc/03/81/13/529038113.db2.gz QGTKWRZKKOSINM-SFYZADRCSA-N -1 3 269.301 1.543 20 30 CDEDHM COC(=O)[C@@H](C)C/N=C\c1c([O-])cccc1OC ZINC000726117895 574491819 /nfs/dbraw/zinc/49/18/19/574491819.db2.gz FGOUGUHMBKUMJG-JNNKLVPLSA-N -1 3 251.282 1.629 20 30 CDEDHM Cc1ccc([N-]N=C2c3ccccc3NC2=O)nn1 ZINC000729935978 574831898 /nfs/dbraw/zinc/83/18/98/574831898.db2.gz ZXFFFCLDNIXRBI-UHFFFAOYSA-N -1 3 253.265 1.553 20 30 CDEDHM CCOc1ccc(/C=N/[C@H](C(N)=O)C(C)C)c([O-])c1 ZINC000730464724 574982159 /nfs/dbraw/zinc/98/21/59/574982159.db2.gz ZFMIPXJPJYSLAC-MJOIQJIUSA-N -1 3 264.325 1.720 20 30 CDEDHM C[C@@H]1CCCC(=NNc2nc3n[n-]cc3c(O)n2)C1 ZINC000731155314 575035716 /nfs/dbraw/zinc/03/57/16/575035716.db2.gz XRSXDKWBHMZZKV-SSDOTTSWSA-N -1 3 260.301 1.410 20 30 CDEDHM CCOc1ccc(C=NNC(=S)N(C)C)c([O-])c1 ZINC000731563381 575054372 /nfs/dbraw/zinc/05/43/72/575054372.db2.gz ZDJODOMKVQRPQZ-UHFFFAOYSA-N -1 3 267.354 1.561 20 30 CDEDHM CO[C@H](C/N=C\c1c([O-])c(C)ncc1CO)C(F)(F)F ZINC000733205268 575106083 /nfs/dbraw/zinc/10/60/83/575106083.db2.gz PIFAMMXNDBTJOD-PTGRXUFPSA-N -1 3 292.257 1.584 20 30 CDEDHM COC[C@H](C)NC(=S)NN=Cc1ccc([O-])c(F)c1 ZINC000755525632 575155890 /nfs/dbraw/zinc/15/58/90/575155890.db2.gz HAAQPYZFMCUCHC-QMMMGPOBSA-N -1 3 285.344 1.364 20 30 CDEDHM C[C@@H]1C[C@@H](/N=C/c2ccccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000743044912 576625508 /nfs/dbraw/zinc/62/55/08/576625508.db2.gz UEIZRQNABCNNLH-BEQKNGNHSA-N -1 3 298.346 1.739 20 30 CDEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccncc1 ZINC000769819119 575389219 /nfs/dbraw/zinc/38/92/19/575389219.db2.gz NNMBWZPDQHBKDH-UHFFFAOYSA-N -1 3 283.295 1.300 20 30 CDEDHM C=CCCCOC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735412892 575460851 /nfs/dbraw/zinc/46/08/51/575460851.db2.gz MNZNDKMQUUCFCD-UHFFFAOYSA-N -1 3 259.269 1.385 20 30 CDEDHM C=CCCCOC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735412892 575460852 /nfs/dbraw/zinc/46/08/52/575460852.db2.gz MNZNDKMQUUCFCD-UHFFFAOYSA-N -1 3 259.269 1.385 20 30 CDEDHM C=CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC000735416472 575469970 /nfs/dbraw/zinc/46/99/70/575469970.db2.gz LGOBLYFAQVXCGF-UHFFFAOYSA-N -1 3 272.312 1.298 20 30 CDEDHM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC000735416472 575469973 /nfs/dbraw/zinc/46/99/73/575469973.db2.gz LGOBLYFAQVXCGF-UHFFFAOYSA-N -1 3 272.312 1.298 20 30 CDEDHM CC(C)[C@H](C#N)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735690337 575502384 /nfs/dbraw/zinc/50/23/84/575502384.db2.gz JTDAHXQDAAIJHM-ZDUSSCGKSA-N -1 3 298.350 1.464 20 30 CDEDHM CC(C)[C@H](C#N)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735690337 575502386 /nfs/dbraw/zinc/50/23/86/575502386.db2.gz JTDAHXQDAAIJHM-ZDUSSCGKSA-N -1 3 298.350 1.464 20 30 CDEDHM C=CCN1CCC(NC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000736106663 575564311 /nfs/dbraw/zinc/56/43/11/575564311.db2.gz GTWDQGKRAJFBQW-LBPRGKRZSA-N -1 3 295.383 1.143 20 30 CDEDHM CCc1ccc(Cn2ccc(C=N[O-])nc2=O)cc1 ZINC000736303289 575617186 /nfs/dbraw/zinc/61/71/86/575617186.db2.gz WHXOCNXSFJJUJO-UHFFFAOYSA-N -1 3 257.293 1.662 20 30 CDEDHM CCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736440249 575662211 /nfs/dbraw/zinc/66/22/11/575662211.db2.gz XTCILXQADYTWAW-UHFFFAOYSA-N -1 3 270.296 1.867 20 30 CDEDHM CCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736440249 575662212 /nfs/dbraw/zinc/66/22/12/575662212.db2.gz XTCILXQADYTWAW-UHFFFAOYSA-N -1 3 270.296 1.867 20 30 CDEDHM C=CCCOCCCCC(=O)[N-]OC1CCOCC1 ZINC000772713345 575741572 /nfs/dbraw/zinc/74/15/72/575741572.db2.gz ZBILCMXXTQWREF-UHFFFAOYSA-N -1 3 271.357 1.976 20 30 CDEDHM Cc1ccc([C@@H](CNC(=O)C(C)C#N)C(=O)[O-])cc1 ZINC000738553429 576087944 /nfs/dbraw/zinc/08/79/44/576087944.db2.gz VLKIYIFFIPKYBS-CMPLNLGQSA-N -1 3 260.293 1.439 20 30 CDEDHM C#C[C@@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000759373850 576384503 /nfs/dbraw/zinc/38/45/03/576384503.db2.gz NAOYYTZTCIKPKA-SECBINFHSA-N -1 3 267.306 1.237 20 30 CDEDHM CCc1ccc(C=N[N-]c2[nH+]cnc3[n-]cnc32)o1 ZINC000760252894 576470358 /nfs/dbraw/zinc/47/03/58/576470358.db2.gz FQPSLOYZHXPIOX-UHFFFAOYSA-N -1 3 256.269 1.954 20 30 CDEDHM COC1(C/N=C/c2c([O-])c(C)ncc2CO)CCOCC1 ZINC000746523210 576781382 /nfs/dbraw/zinc/78/13/82/576781382.db2.gz RFSVYZBKAVSCLK-LZYBPNLTSA-N -1 3 294.351 1.202 20 30 CDEDHM C=C(Cl)C[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000754023211 576873946 /nfs/dbraw/zinc/87/39/46/576873946.db2.gz HMAXLAYPVULJKW-UHFFFAOYSA-N -1 3 263.750 1.495 20 30 CDEDHM O=C1CN(N=Cc2cccn2Cc2cccs2)C(=O)[N-]1 ZINC000755611765 576951933 /nfs/dbraw/zinc/95/19/33/576951933.db2.gz PUXSXCARGKFPMF-UHFFFAOYSA-N -1 3 288.332 1.484 20 30 CDEDHM O=C1Nc2cc([O-])ccc2C1=NO[C@@H]1CCCCO1 ZINC000755818199 576962898 /nfs/dbraw/zinc/96/28/98/576962898.db2.gz AKJNVZISZSGHDH-LLVKDONJSA-N -1 3 262.265 1.592 20 30 CDEDHM CCCCC[C@H](C)NC(=O)Cn1ccc(C=N[O-])nc1=O ZINC000749795182 576963000 /nfs/dbraw/zinc/96/30/00/576963000.db2.gz LNDWBVLSZSNRRD-NSHDSACASA-N -1 3 294.355 1.136 20 30 CDEDHM C#CCCN1CCC(NC(=O)c2ccc(F)cc2[O-])CC1 ZINC000750536562 576994551 /nfs/dbraw/zinc/99/45/51/576994551.db2.gz CBNPUFMFYFOGBY-UHFFFAOYSA-N -1 3 290.338 1.749 20 30 CDEDHM N#CCn1cc(NC(=O)c2cc3occc3[n-]2)cn1 ZINC000750854888 577009902 /nfs/dbraw/zinc/00/99/02/577009902.db2.gz UNWIVXUUQRDRQK-UHFFFAOYSA-N -1 3 255.237 1.733 20 30 CDEDHM COC[C@@H](C#N)OC(=O)c1ccc2c(C=O)n[n-]c2c1 ZINC000751493203 577045409 /nfs/dbraw/zinc/04/54/09/577045409.db2.gz CFLHHOWMMVDESU-SECBINFHSA-N -1 3 273.248 1.071 20 30 CDEDHM COC[C@@H](C#N)OC(=O)c1ccc2c(c1)n[n-]c2C=O ZINC000751493203 577045410 /nfs/dbraw/zinc/04/54/10/577045410.db2.gz CFLHHOWMMVDESU-SECBINFHSA-N -1 3 273.248 1.071 20 30 CDEDHM N#Cc1ccc(C(=O)OC[C@@H]2CC23CCOCC3)[n-]1 ZINC000752516657 577111394 /nfs/dbraw/zinc/11/13/94/577111394.db2.gz OWQXAEJNECZLBE-JTQLQIEISA-N -1 3 260.293 1.860 20 30 CDEDHM CNC(=S)NN=Cc1cc(Cl)cc(OC)c1[O-] ZINC000758868445 577137730 /nfs/dbraw/zinc/13/77/30/577137730.db2.gz FVNWXPXHNFBNSL-UHFFFAOYSA-N -1 3 273.745 1.482 20 30 CDEDHM O=C([O-])CN1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC001602060644 1175122017 /nfs/dbraw/zinc/12/20/17/1175122017.db2.gz GUGQNFUAMFSJGL-UHFFFAOYSA-N -1 3 292.766 1.394 20 30 CDEDHM C#CCN(CC)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819698261 599679731 /nfs/dbraw/zinc/67/97/31/599679731.db2.gz VYKXISXBGFMRNW-LLVKDONJSA-N -1 3 298.350 1.592 20 30 CDEDHM C#CCN(CC)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819698261 599679732 /nfs/dbraw/zinc/67/97/32/599679732.db2.gz VYKXISXBGFMRNW-LLVKDONJSA-N -1 3 298.350 1.592 20 30 CDEDHM C(=NOCc1cccnc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823868387 607531951 /nfs/dbraw/zinc/53/19/51/607531951.db2.gz YZTYAATWCVVWHZ-UHFFFAOYSA-N -1 3 286.320 1.874 20 30 CDEDHM C(=NOCc1cccnc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823868387 607531953 /nfs/dbraw/zinc/53/19/53/607531953.db2.gz YZTYAATWCVVWHZ-UHFFFAOYSA-N -1 3 286.320 1.874 20 30 CDEDHM C#C[C@](C)(CC)NCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001602670673 1175346131 /nfs/dbraw/zinc/34/61/31/1175346131.db2.gz ZQIIKDPRASNYED-CQSZACIVSA-N -1 3 280.368 1.282 20 30 CDEDHM COc1ccc(-c2nn[n-]n2)cc1CN(C)[C@@H](C)CC#N ZINC000826181666 607640510 /nfs/dbraw/zinc/64/05/10/607640510.db2.gz JUSLFLYMFQSNFL-JTQLQIEISA-N -1 3 286.339 1.609 20 30 CDEDHM C#C[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001602697085 1175361245 /nfs/dbraw/zinc/36/12/45/1175361245.db2.gz RCFVGEZJIAGUBJ-VIFPVBQESA-N -1 3 274.353 1.481 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C#N)C(C)C ZINC000826245990 607687743 /nfs/dbraw/zinc/68/77/43/607687743.db2.gz OCWFPQKLCXGDTK-LBPRGKRZSA-N -1 3 284.323 1.453 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C#N)C(C)C ZINC000826245990 607687745 /nfs/dbraw/zinc/68/77/45/607687745.db2.gz OCWFPQKLCXGDTK-LBPRGKRZSA-N -1 3 284.323 1.453 20 30 CDEDHM C=CCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000823894259 607740819 /nfs/dbraw/zinc/74/08/19/607740819.db2.gz LMAVPNXHGOXFLF-UHFFFAOYSA-N -1 3 260.301 1.233 20 30 CDEDHM C=CCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000823894259 607740820 /nfs/dbraw/zinc/74/08/20/607740820.db2.gz LMAVPNXHGOXFLF-UHFFFAOYSA-N -1 3 260.301 1.233 20 30 CDEDHM C=C(C)CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602758540 1175391131 /nfs/dbraw/zinc/39/11/31/1175391131.db2.gz KZAHJKDEDIAWLC-UHFFFAOYSA-N -1 3 275.272 1.548 20 30 CDEDHM C=C(C)CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602758540 1175391138 /nfs/dbraw/zinc/39/11/38/1175391138.db2.gz KZAHJKDEDIAWLC-UHFFFAOYSA-N -1 3 275.272 1.548 20 30 CDEDHM C=CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)C(C)C ZINC000819739695 606492421 /nfs/dbraw/zinc/49/24/21/606492421.db2.gz DIJLUVGCWLKOND-UHFFFAOYSA-N -1 3 277.353 1.965 20 30 CDEDHM C=CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)C(C)C ZINC000819739695 606492422 /nfs/dbraw/zinc/49/24/22/606492422.db2.gz DIJLUVGCWLKOND-UHFFFAOYSA-N -1 3 277.353 1.965 20 30 CDEDHM C=C[C@@H](C)NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000819729858 606846279 /nfs/dbraw/zinc/84/62/79/606846279.db2.gz NXFCCXKBWHGEAC-SECBINFHSA-N -1 3 293.352 1.028 20 30 CDEDHM C=C[C@@H](C)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000819729858 606846280 /nfs/dbraw/zinc/84/62/80/606846280.db2.gz NXFCCXKBWHGEAC-SECBINFHSA-N -1 3 293.352 1.028 20 30 CDEDHM N#CCOc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822815646 607043653 /nfs/dbraw/zinc/04/36/53/607043653.db2.gz VJWYNXFTDHDRID-UHFFFAOYSA-N -1 3 280.085 1.532 20 30 CDEDHM N#CCOc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822815646 607043655 /nfs/dbraw/zinc/04/36/55/607043655.db2.gz VJWYNXFTDHDRID-UHFFFAOYSA-N -1 3 280.085 1.532 20 30 CDEDHM Cc1c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cnn1C ZINC000826235044 607884295 /nfs/dbraw/zinc/88/42/95/607884295.db2.gz AJAFCAABGUCKCN-SREVYHEPSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cnn1C ZINC000826235044 607884296 /nfs/dbraw/zinc/88/42/96/607884296.db2.gz AJAFCAABGUCKCN-SREVYHEPSA-N -1 3 294.318 1.805 20 30 CDEDHM Cn1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cn1 ZINC000826358226 607884697 /nfs/dbraw/zinc/88/46/97/607884697.db2.gz KVLRYRHPVTVUAZ-VOTSOKGWSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cn1 ZINC000826358226 607884698 /nfs/dbraw/zinc/88/46/98/607884698.db2.gz KVLRYRHPVTVUAZ-VOTSOKGWSA-N -1 3 280.291 1.496 20 30 CDEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NO[C@@H]1CCCCO1 ZINC000826371763 607890415 /nfs/dbraw/zinc/89/04/15/607890415.db2.gz SVWGJTMHTNVPMQ-GFCCVEGCSA-N -1 3 291.286 1.883 20 30 CDEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NO[C@@H]1CCCCO1 ZINC000826371763 607890416 /nfs/dbraw/zinc/89/04/16/607890416.db2.gz SVWGJTMHTNVPMQ-GFCCVEGCSA-N -1 3 291.286 1.883 20 30 CDEDHM C=CCCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000823894583 609215799 /nfs/dbraw/zinc/21/57/99/609215799.db2.gz ULOSVCXWDKHPCA-UHFFFAOYSA-N -1 3 260.301 1.233 20 30 CDEDHM C=CCCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000823894583 609215800 /nfs/dbraw/zinc/21/58/00/609215800.db2.gz ULOSVCXWDKHPCA-UHFFFAOYSA-N -1 3 260.301 1.233 20 30 CDEDHM CC(=NNCC(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953835 609276887 /nfs/dbraw/zinc/27/68/87/609276887.db2.gz RVXHMPPEAJTBBG-UHFFFAOYSA-N -1 3 276.319 1.975 20 30 CDEDHM CC(=NNCC(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953835 609276888 /nfs/dbraw/zinc/27/68/88/609276888.db2.gz RVXHMPPEAJTBBG-UHFFFAOYSA-N -1 3 276.319 1.975 20 30 CDEDHM Fc1cc(NN=Cc2ccccc2-c2nnn[n-]2)ccn1 ZINC000826372583 609281382 /nfs/dbraw/zinc/28/13/82/609281382.db2.gz DBXLYPUHCXCIOH-UHFFFAOYSA-N -1 3 283.270 1.847 20 30 CDEDHM Fc1cc(NN=Cc2ccccc2-c2nn[n-]n2)ccn1 ZINC000826372583 609281384 /nfs/dbraw/zinc/28/13/84/609281384.db2.gz DBXLYPUHCXCIOH-UHFFFAOYSA-N -1 3 283.270 1.847 20 30 CDEDHM C[C@@H]1C[C@@H](NN=Cc2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000824893047 609518697 /nfs/dbraw/zinc/51/86/97/609518697.db2.gz OVEXNLIWOOTXIN-BDAKNGLRSA-N -1 3 292.368 1.419 20 30 CDEDHM C=CCOCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823925476 609574332 /nfs/dbraw/zinc/57/43/32/609574332.db2.gz KSNUEYCQUWOBQK-UHFFFAOYSA-N -1 3 290.283 1.389 20 30 CDEDHM C=CCOCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823925476 609574334 /nfs/dbraw/zinc/57/43/34/609574334.db2.gz KSNUEYCQUWOBQK-UHFFFAOYSA-N -1 3 290.283 1.389 20 30 CDEDHM CC#CCN1CC([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC000969327959 613533875 /nfs/dbraw/zinc/53/38/75/613533875.db2.gz XFGOCLBINSYVLT-GFCCVEGCSA-N -1 3 272.348 1.466 20 30 CDEDHM C=CCN1CCCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000968828864 613687666 /nfs/dbraw/zinc/68/76/66/613687666.db2.gz WULGZLVHGPGZAG-ZDUSSCGKSA-N -1 3 289.379 1.948 20 30 CDEDHM C=CCCC[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000910916324 618596238 /nfs/dbraw/zinc/59/62/38/618596238.db2.gz VCGNCRHXFVVTAZ-FRRDWIJNSA-N -1 3 282.384 1.785 20 30 CDEDHM COc1cc(C)ccc1CN[C@@H]1CCCN([O-])C1=O ZINC000895159402 619376381 /nfs/dbraw/zinc/37/63/81/619376381.db2.gz VEYVHMULKNPZES-GFCCVEGCSA-N -1 3 264.325 1.473 20 30 CDEDHM CC(C)(C)c1nc(CN[C@@H]2CCCN([O-])C2=O)cs1 ZINC000895166911 619396632 /nfs/dbraw/zinc/39/66/32/619396632.db2.gz TVZIYJHICMLJPU-SNVBAGLBSA-N -1 3 283.397 1.910 20 30 CDEDHM COc1cccc(CN[C@@H]2CCCN([O-])C2=O)c1OC ZINC000895167240 619398674 /nfs/dbraw/zinc/39/86/74/619398674.db2.gz XLSHCMMYPSAXTQ-LLVKDONJSA-N -1 3 280.324 1.174 20 30 CDEDHM CO[C@@H]1COC[C@@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000840711897 620376543 /nfs/dbraw/zinc/37/65/43/620376543.db2.gz UBLMQYGJNWIJBR-LLUKUOFISA-N -1 3 255.701 1.878 20 30 CDEDHM CCCCN([O-])C(=O)c1ncc(Br)cn1 ZINC000900683389 623369099 /nfs/dbraw/zinc/36/90/99/623369099.db2.gz WLQBXIUUUZRNNR-UHFFFAOYSA-N -1 3 274.118 1.871 20 30 CDEDHM [O-]c1cc(Cl)cc(C=NN[C@@H]2CCC[C@H]2O)c1 ZINC000901252862 624043931 /nfs/dbraw/zinc/04/39/31/624043931.db2.gz QEYBVAJNTDDCIE-VXGBXAGGSA-N -1 3 254.717 1.883 20 30 CDEDHM CCCCN([O-])C(=O)c1cc(Br)n(C)n1 ZINC000904214928 626227436 /nfs/dbraw/zinc/22/74/36/626227436.db2.gz SGKQYYAFHMSORU-UHFFFAOYSA-N -1 3 276.134 1.814 20 30 CDEDHM CCCCN([O-])C(=O)CCc1ocnc1C(=O)OC ZINC000904214661 626227642 /nfs/dbraw/zinc/22/76/42/626227642.db2.gz IUDCYDKPFOUGOH-UHFFFAOYSA-N -1 3 270.285 1.412 20 30 CDEDHM C=CCS(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000906026370 627096136 /nfs/dbraw/zinc/09/61/36/627096136.db2.gz IAPAVICQUZTERQ-UHFFFAOYSA-N -1 3 282.243 1.302 20 30 CDEDHM C#Cc1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000908231210 628084265 /nfs/dbraw/zinc/08/42/65/628084265.db2.gz HFTANVMLUYIYRB-UHFFFAOYSA-N -1 3 269.304 1.054 20 30 CDEDHM C#CC[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(=O)[O-] ZINC000910051067 628828049 /nfs/dbraw/zinc/82/80/49/628828049.db2.gz RNVKDWKFWSKICL-KBPBESRZSA-N -1 3 292.379 1.376 20 30 CDEDHM C=C(C)C[C@H](NC(=O)CN(C)CC(C)(C)C)C(=O)[O-] ZINC000910292423 629000370 /nfs/dbraw/zinc/00/03/70/629000370.db2.gz GDEZNCJWJNXMSH-NSHDSACASA-N -1 3 270.373 1.500 20 30 CDEDHM C#CCSCCOC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000835437207 631642981 /nfs/dbraw/zinc/64/29/81/631642981.db2.gz SZTMQBLNTSYOOM-UHFFFAOYSA-N -1 3 267.306 1.325 20 30 CDEDHM COc1ncc(S(=O)(=O)[N-]CC2(C#N)CCC2)s1 ZINC000916424946 631984842 /nfs/dbraw/zinc/98/48/42/631984842.db2.gz MHHVCRVICWDLHU-UHFFFAOYSA-N -1 3 287.366 1.124 20 30 CDEDHM Cc1nc(C)c(CC(=O)O[C@H](C#N)C(C)(C)C)c(=O)[n-]1 ZINC000154160475 632068841 /nfs/dbraw/zinc/06/88/41/632068841.db2.gz SUJNWCMHWMBQCA-LLVKDONJSA-N -1 3 277.324 1.411 20 30 CDEDHM C(=N[N-]c1[nH+]cnc2[n-]cnc21)c1cccc2c1OCO2 ZINC000917555882 632241625 /nfs/dbraw/zinc/24/16/25/632241625.db2.gz QHHYVXHUCLTQST-UHFFFAOYSA-N -1 3 282.263 1.528 20 30 CDEDHM C=CCCC[C@@H](N)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC001602863427 1175438741 /nfs/dbraw/zinc/43/87/41/1175438741.db2.gz OKDVKFVNGSUMBK-CMPLNLGQSA-N -1 3 268.357 1.382 20 30 CDEDHM N#CCc1cnc(NCCCc2c[n-][nH]c2=O)c(Cl)c1 ZINC001156286045 1162002646 /nfs/dbraw/zinc/00/26/46/1162002646.db2.gz WGDCBJQVZBHCST-SNVBAGLBSA-N -1 3 291.742 1.725 20 30 CDEDHM Cc1nc(C(=O)N(C)CC(C)(C)C#N)ccc1-c1nnn[n-]1 ZINC001606023674 1163750802 /nfs/dbraw/zinc/75/08/02/1163750802.db2.gz BUGZSSGDHFCLFR-UHFFFAOYSA-N -1 3 299.338 1.192 20 30 CDEDHM Cc1nc(C(=O)N(C)CC(C)(C)C#N)ccc1-c1nn[n-]n1 ZINC001606023674 1163750807 /nfs/dbraw/zinc/75/08/07/1163750807.db2.gz BUGZSSGDHFCLFR-UHFFFAOYSA-N -1 3 299.338 1.192 20 30 CDEDHM N#C[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001606345184 1163869121 /nfs/dbraw/zinc/86/91/21/1163869121.db2.gz FFATVPDFFZSMPX-VIFPVBQESA-N -1 3 255.285 1.002 20 30 CDEDHM N#CCN(Cc1cc(-c2nnn[n-]2)ccc1F)C1CC1 ZINC001606350474 1163873659 /nfs/dbraw/zinc/87/36/59/1163873659.db2.gz XWKQCAXTOJOEFK-UHFFFAOYSA-N -1 3 272.287 1.494 20 30 CDEDHM N#CCN(Cc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC001606350474 1163873663 /nfs/dbraw/zinc/87/36/63/1163873663.db2.gz XWKQCAXTOJOEFK-UHFFFAOYSA-N -1 3 272.287 1.494 20 30 CDEDHM N#Cc1ncccc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC001606398869 1163889211 /nfs/dbraw/zinc/88/92/11/1163889211.db2.gz ZCEUJCDIXFDBFO-UHFFFAOYSA-N -1 3 296.265 1.851 20 30 CDEDHM N#Cc1ncccc1OCc1cc(F)ccc1-c1nn[n-]n1 ZINC001606398869 1163889218 /nfs/dbraw/zinc/88/92/18/1163889218.db2.gz ZCEUJCDIXFDBFO-UHFFFAOYSA-N -1 3 296.265 1.851 20 30 CDEDHM N#Cc1ncn(Cc2sccc2Cl)c1-c1nnn[n-]1 ZINC001606399280 1163890314 /nfs/dbraw/zinc/89/03/14/1163890314.db2.gz TWTRJJRBOFFFLH-UHFFFAOYSA-N -1 3 291.727 1.698 20 30 CDEDHM O=C(C#CC1CC1)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001606457349 1163907752 /nfs/dbraw/zinc/90/77/52/1163907752.db2.gz RDSXMRMDVLXCNP-UHFFFAOYSA-N -1 3 271.255 1.358 20 30 CDEDHM O=C(C#CC1CC1)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001606457349 1163907758 /nfs/dbraw/zinc/90/77/58/1163907758.db2.gz RDSXMRMDVLXCNP-UHFFFAOYSA-N -1 3 271.255 1.358 20 30 CDEDHM COc1ccnc(C(=O)N[C@H](C#N)c2ccccc2)c1[O-] ZINC001193519655 1164393889 /nfs/dbraw/zinc/39/38/89/1164393889.db2.gz AMANKOIRKYYWOD-LLVKDONJSA-N -1 3 283.287 1.790 20 30 CDEDHM C(=NNC[C@@H]1CCSC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609022523 1164730556 /nfs/dbraw/zinc/73/05/56/1164730556.db2.gz WKBLEJLPSUKEMO-NSHDSACASA-N -1 3 288.380 1.543 20 30 CDEDHM C(=NNC[C@@H]1CCSC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609022523 1164730562 /nfs/dbraw/zinc/73/05/62/1164730562.db2.gz WKBLEJLPSUKEMO-NSHDSACASA-N -1 3 288.380 1.543 20 30 CDEDHM C=C(C)CN(CC)[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001609248347 1164863141 /nfs/dbraw/zinc/86/31/41/1164863141.db2.gz OVVOKTDMQQPFTC-LBPRGKRZSA-N -1 3 282.384 1.596 20 30 CDEDHM CC[C@@H](C#N)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001648224555 1169109839 /nfs/dbraw/zinc/10/98/39/1169109839.db2.gz WPOGIQMQZQBWTA-QMMMGPOBSA-N -1 3 256.269 1.355 20 30 CDEDHM CC[C@@H](C#N)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001648224555 1169109843 /nfs/dbraw/zinc/10/98/43/1169109843.db2.gz WPOGIQMQZQBWTA-QMMMGPOBSA-N -1 3 256.269 1.355 20 30 CDEDHM CCn1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)n1 ZINC001578774478 1172002555 /nfs/dbraw/zinc/00/25/55/1172002555.db2.gz GZCQIULEVQSZRD-UHFFFAOYSA-N -1 3 294.322 1.567 20 30 CDEDHM CCn1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)n1 ZINC001578774478 1172002563 /nfs/dbraw/zinc/00/25/63/1172002563.db2.gz GZCQIULEVQSZRD-UHFFFAOYSA-N -1 3 294.322 1.567 20 30 CDEDHM Cc1cc(C#N)c(=O)n(Cc2ccccc2-c2nnn[n-]2)c1 ZINC001580769059 1172534802 /nfs/dbraw/zinc/53/48/02/1172534802.db2.gz ZBBHDFYXSOWSEQ-UHFFFAOYSA-N -1 3 292.302 1.257 20 30 CDEDHM Cc1cc(C#N)c(=O)n(Cc2ccccc2-c2nn[n-]n2)c1 ZINC001580769059 1172534806 /nfs/dbraw/zinc/53/48/06/1172534806.db2.gz ZBBHDFYXSOWSEQ-UHFFFAOYSA-N -1 3 292.302 1.257 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001588325903 1173023958 /nfs/dbraw/zinc/02/39/58/1173023958.db2.gz ZCUQGXOUCHPDDH-JTQLQIEISA-N -1 3 284.323 1.661 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588325253 1173024470 /nfs/dbraw/zinc/02/44/70/1173024470.db2.gz HVGVDNZUGSTKIR-NSHDSACASA-N -1 3 295.346 1.378 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588325253 1173024478 /nfs/dbraw/zinc/02/44/78/1173024478.db2.gz HVGVDNZUGSTKIR-NSHDSACASA-N -1 3 295.346 1.378 20 30 CDEDHM C#CCN(CC#N)Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588350175 1173049587 /nfs/dbraw/zinc/04/95/87/1173049587.db2.gz GZPHZZQAMHFTGI-UHFFFAOYSA-N -1 3 266.308 1.134 20 30 CDEDHM C=C(CC)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588442407 1173063358 /nfs/dbraw/zinc/06/33/58/1173063358.db2.gz OCDVMYOBADHLRK-UHFFFAOYSA-N -1 3 257.297 1.563 20 30 CDEDHM C=C(CC)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588442407 1173063363 /nfs/dbraw/zinc/06/33/63/1173063363.db2.gz OCDVMYOBADHLRK-UHFFFAOYSA-N -1 3 257.297 1.563 20 30 CDEDHM C=CCC(F)(F)C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588545596 1173081181 /nfs/dbraw/zinc/08/11/81/1173081181.db2.gz JPPGBARTGWPSKY-UHFFFAOYSA-N -1 3 294.265 1.436 20 30 CDEDHM C=CCC(F)(F)C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001588545596 1173081187 /nfs/dbraw/zinc/08/11/87/1173081187.db2.gz JPPGBARTGWPSKY-UHFFFAOYSA-N -1 3 294.265 1.436 20 30 CDEDHM CC#CCCNC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001588746586 1173101718 /nfs/dbraw/zinc/10/17/18/1173101718.db2.gz UPSIQYXJUUZSSX-UHFFFAOYSA-N -1 3 298.350 1.122 20 30 CDEDHM CC#CCCNC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001588746586 1173101719 /nfs/dbraw/zinc/10/17/19/1173101719.db2.gz UPSIQYXJUUZSSX-UHFFFAOYSA-N -1 3 298.350 1.122 20 30 CDEDHM CC(=NN[C@@H]1CCC[C@H]1O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588777242 1173104067 /nfs/dbraw/zinc/10/40/67/1173104067.db2.gz JSHLTAHEDOBZDR-CHWSQXEVSA-N -1 3 286.339 1.094 20 30 CDEDHM CC(=NN[C@@H]1CCC[C@H]1O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588777242 1173104069 /nfs/dbraw/zinc/10/40/69/1173104069.db2.gz JSHLTAHEDOBZDR-CHWSQXEVSA-N -1 3 286.339 1.094 20 30 CDEDHM C[C@H](C#N)CN(Cc1ccncc1-c1nnn[n-]1)C1CC1 ZINC001588934195 1173114321 /nfs/dbraw/zinc/11/43/21/1173114321.db2.gz FXHLMCZJPMGZOE-SNVBAGLBSA-N -1 3 283.339 1.386 20 30 CDEDHM C[C@H](C#N)CN(Cc1ccncc1-c1nn[n-]n1)C1CC1 ZINC001588934195 1173114325 /nfs/dbraw/zinc/11/43/25/1173114325.db2.gz FXHLMCZJPMGZOE-SNVBAGLBSA-N -1 3 283.339 1.386 20 30 CDEDHM C[C@H](C#N)N(Cc1cc(-c2nnn[n-]2)ccn1)C1CC1 ZINC001588934762 1173116830 /nfs/dbraw/zinc/11/68/30/1173116830.db2.gz UIMASKZLSHXCLG-SECBINFHSA-N -1 3 269.312 1.138 20 30 CDEDHM C[C@H](C#N)N(Cc1cc(-c2nn[n-]n2)ccn1)C1CC1 ZINC001588934762 1173116835 /nfs/dbraw/zinc/11/68/35/1173116835.db2.gz UIMASKZLSHXCLG-SECBINFHSA-N -1 3 269.312 1.138 20 30 CDEDHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001589504218 1173150846 /nfs/dbraw/zinc/15/08/46/1173150846.db2.gz USGLVBHXXABQNL-OLZOCXBDSA-N -1 3 296.334 1.969 20 30 CDEDHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001589504218 1173150850 /nfs/dbraw/zinc/15/08/50/1173150850.db2.gz USGLVBHXXABQNL-OLZOCXBDSA-N -1 3 296.334 1.969 20 30 CDEDHM CC1(C#N)CN(C(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC001590056679 1173243576 /nfs/dbraw/zinc/24/35/76/1173243576.db2.gz QJUHMPOXPDWMIU-UHFFFAOYSA-N -1 3 289.324 1.306 20 30 CDEDHM CC1(C#N)CN(C(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC001590056679 1173243581 /nfs/dbraw/zinc/24/35/81/1173243581.db2.gz QJUHMPOXPDWMIU-UHFFFAOYSA-N -1 3 289.324 1.306 20 30 CDEDHM CC1(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1 ZINC001590123486 1173264536 /nfs/dbraw/zinc/26/45/36/1173264536.db2.gz KNHCBCSNSVJVAV-UHFFFAOYSA-N -1 3 282.307 1.867 20 30 CDEDHM CC1(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1 ZINC001590123486 1173264544 /nfs/dbraw/zinc/26/45/44/1173264544.db2.gz KNHCBCSNSVJVAV-UHFFFAOYSA-N -1 3 282.307 1.867 20 30 CDEDHM C[C@H]1CCN1C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590278140 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C=C(C)C(=O)OC[C@H](C)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225470316 1167381171 /nfs/dbraw/zinc/38/11/71/1167381171.db2.gz VAPNDUQRIXVGFF-JTQLQIEISA-N -1 3 276.292 1.854 20 30 CDEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2cnccn2)[n-]1 ZINC001225470138 1167380440 /nfs/dbraw/zinc/38/04/40/1167380440.db2.gz RWLSVUXJKUCEIE-SECBINFHSA-N -1 3 256.265 1.897 20 30 CDEDHM Cn1cnc(Nc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001175427176 913604147 /nfs/dbraw/zinc/60/41/47/913604147.db2.gz ISZYZRCHXUZLBC-UHFFFAOYSA-N -1 3 266.268 1.215 20 30 CDEDHM CC(C)n1nccc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000134176721 895484588 /nfs/dbraw/zinc/48/45/88/895484588.db2.gz FQSUPLPTUFDERG-NSHDSACASA-N -1 3 297.318 1.820 20 30 CDEDHM N#Cc1ccccc1OCCn1ccc(C=N[O-])nc1=O ZINC000782328173 896747962 /nfs/dbraw/zinc/74/79/62/896747962.db2.gz JDHQQLZBFHTRSO-UHFFFAOYSA-N -1 3 284.275 1.002 20 30 CDEDHM N#CCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000335292390 900395714 /nfs/dbraw/zinc/39/57/14/900395714.db2.gz AJTFASXSMTUPFN-UHFFFAOYSA-N -1 3 262.693 1.671 20 30 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254.330 1.309 20 30 CDEDHM CSCc1cccnc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848132333 968752490 /nfs/dbraw/zinc/75/24/90/968752490.db2.gz JZQAUVWFMLUQKN-JTQLQIEISA-N -1 3 295.364 1.055 20 30 CDEDHM CCC1(C(=O)N[C@@H]2CCCN([O-])C2=O)CCCCC1 ZINC000848135329 968754590 /nfs/dbraw/zinc/75/45/90/968754590.db2.gz MFXYYNFNTRLINY-LLVKDONJSA-N -1 3 268.357 1.843 20 30 CDEDHM Cc1ccccc1NCCC(=O)N[C@H]1CCCN([O-])C1=O ZINC000848137425 968758315 /nfs/dbraw/zinc/75/83/15/968758315.db2.gz FFWJFLHXLJGLLN-ZDUSSCGKSA-N -1 3 291.351 1.293 20 30 CDEDHM C[C@H]1CCN(Cc2ccnc(C#N)c2)C[C@H]1C(=O)[O-] ZINC000693515551 968939782 /nfs/dbraw/zinc/93/97/82/968939782.db2.gz ZHDAQXQKJQGIMB-GXFFZTMASA-N -1 3 259.309 1.496 20 30 CDEDHM CCN(CCNC(=O)[C@@H](C)C#N)C(=O)c1ccccc1[O-] ZINC001529068624 968975092 /nfs/dbraw/zinc/97/50/92/968975092.db2.gz GVNQIEFMMMEQQN-NSHDSACASA-N -1 3 289.335 1.130 20 30 CDEDHM CC[C@H](C#N)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001468756622 970189911 /nfs/dbraw/zinc/18/99/11/970189911.db2.gz 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CCO[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736613728 575700961 /nfs/dbraw/zinc/70/09/61/575700961.db2.gz FOYXEOXAHNKKBH-MRVPVSSYSA-N -1 3 286.295 1.102 20 30 CDEDHM Cc1sc2ncn([N-]C(=O)[C@H](C)C#N)c(=O)c2c1C ZINC000736666945 575714566 /nfs/dbraw/zinc/71/45/66/575714566.db2.gz KXWQQTMSLKGHKM-ZCFIWIBFSA-N -1 3 276.321 1.305 20 30 CDEDHM CCOc1ccc(/C=N/CC(C)(C)C(=O)NC)c([O-])c1 ZINC000772801347 575754894 /nfs/dbraw/zinc/75/48/94/575754894.db2.gz DYLOTQTUVRGMMC-RQZCQDPDSA-N -1 3 278.352 1.982 20 30 CDEDHM CS(=O)(=O)[N-]N=C1CCCOc2c(Cl)cccc21 ZINC000764700369 575935562 /nfs/dbraw/zinc/93/55/62/575935562.db2.gz KHIRWZGXDGUHRT-UHFFFAOYSA-N -1 3 288.756 1.766 20 30 CDEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737720199 576008178 /nfs/dbraw/zinc/00/81/78/576008178.db2.gz ZNWYUGFRPYEWIE-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737720199 576008181 /nfs/dbraw/zinc/00/81/81/576008181.db2.gz ZNWYUGFRPYEWIE-UHFFFAOYSA-N -1 3 291.274 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277.107 1.617 20 30 CDEDHM Cc1cc(C=NN2CC(=O)[N-]C2=O)ccc1Br ZINC000746367674 576773696 /nfs/dbraw/zinc/77/36/96/576773696.db2.gz BAXCLEIBFCKMFT-UHFFFAOYSA-N -1 3 296.124 1.643 20 30 CDEDHM CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1[O-] ZINC000753936352 576867398 /nfs/dbraw/zinc/86/73/98/576867398.db2.gz RYFRUVCYFGZOJO-BETUJISGSA-N -1 3 272.352 1.976 20 30 CDEDHM COc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c([O-])c1 ZINC000753941155 576867776 /nfs/dbraw/zinc/86/77/76/576867776.db2.gz XSOKEEIXXKRZLC-STQMWFEESA-N -1 3 288.351 1.595 20 30 CDEDHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2cc(C#N)c[nH]2)on1 ZINC000748224738 576902190 /nfs/dbraw/zinc/90/21/90/576902190.db2.gz BIZODZXDAUIYAU-QMMMGPOBSA-N -1 3 288.263 1.367 20 30 CDEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cccnc1Cl ZINC000755441611 576944990 /nfs/dbraw/zinc/94/49/90/576944990.db2.gz IIQCMCHGUPKPJZ-ZETCQYMHSA-N -1 3 259.718 1.315 20 30 CDEDHM COCCCNC(=S)NN=Cc1ccc([O-])c(F)c1 ZINC000755523677 576948381 /nfs/dbraw/zinc/94/83/81/576948381.db2.gz 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/nfs/dbraw/zinc/07/96/03/599079603.db2.gz OSBHYKOLDUDMDA-UHFFFAOYSA-N -1 3 272.268 1.600 20 30 CDEDHM C[C@@H](C(=O)[O-])N(C)Cc1cn2ccccc2c1C#N ZINC000054069768 597474225 /nfs/dbraw/zinc/47/42/25/597474225.db2.gz NKWALCAUOXNMTN-JTQLQIEISA-N -1 3 257.293 1.716 20 30 CDEDHM CC(C)(C#N)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824058845 607364838 /nfs/dbraw/zinc/36/48/38/607364838.db2.gz FKWFBQFILVYSIT-UHFFFAOYSA-N -1 3 299.290 1.142 20 30 CDEDHM CC(C)(C#N)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824058845 607364839 /nfs/dbraw/zinc/36/48/39/607364839.db2.gz FKWFBQFILVYSIT-UHFFFAOYSA-N -1 3 299.290 1.142 20 30 CDEDHM C#CCN(CC)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819698263 599679725 /nfs/dbraw/zinc/67/97/25/599679725.db2.gz VYKXISXBGFMRNW-NSHDSACASA-N -1 3 298.350 1.592 20 30 CDEDHM C#CCN(CC)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819698263 599679726 /nfs/dbraw/zinc/67/97/26/599679726.db2.gz VYKXISXBGFMRNW-NSHDSACASA-N -1 3 298.350 1.592 20 30 CDEDHM C=CC1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000706492572 600328925 /nfs/dbraw/zinc/32/89/25/600328925.db2.gz PGHURXYHNODXFX-UHFFFAOYSA-N -1 3 280.368 1.208 20 30 CDEDHM COCCN(CC(=O)[O-])Cc1ccc(F)c(C#N)c1 ZINC000234615745 602236318 /nfs/dbraw/zinc/23/63/18/602236318.db2.gz RWEPDEMPCBJYDF-UHFFFAOYSA-N -1 3 266.272 1.230 20 30 CDEDHM C#C[C@H](CC)Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602689962 1175354442 /nfs/dbraw/zinc/35/44/42/1175354442.db2.gz XPEPJMCPTJHZJG-SECBINFHSA-N -1 3 286.295 1.907 20 30 CDEDHM C#C[C@H](CC)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602689962 1175354449 /nfs/dbraw/zinc/35/44/49/1175354449.db2.gz XPEPJMCPTJHZJG-SECBINFHSA-N -1 3 286.295 1.907 20 30 CDEDHM C#CCN[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000051963377 604616404 /nfs/dbraw/zinc/61/64/04/604616404.db2.gz DCCODAWDFXQCSD-INIZCTEOSA-N -1 3 272.348 1.329 20 30 CDEDHM N#C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000822801964 606169710 /nfs/dbraw/zinc/16/97/10/606169710.db2.gz 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/nfs/dbraw/zinc/43/35/18/606433518.db2.gz KQXOQTXQTVVOLZ-ZDUSSCGKSA-N -1 3 299.334 1.036 20 30 CDEDHM C=C(C)COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819723078 606461981 /nfs/dbraw/zinc/46/19/81/606461981.db2.gz XKBKKRYTZGIWLD-UHFFFAOYSA-N -1 3 250.283 1.661 20 30 CDEDHM C=C(C)COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819723078 606461983 /nfs/dbraw/zinc/46/19/83/606461983.db2.gz XKBKKRYTZGIWLD-UHFFFAOYSA-N -1 3 250.283 1.661 20 30 CDEDHM CC[C@@H](C#N)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820842302 606613686 /nfs/dbraw/zinc/61/36/86/606613686.db2.gz LXFXANSECAINHO-JTQLQIEISA-N -1 3 257.253 1.326 20 30 CDEDHM CC[C@@H](C#N)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820842302 606613687 /nfs/dbraw/zinc/61/36/87/606613687.db2.gz LXFXANSECAINHO-JTQLQIEISA-N -1 3 257.253 1.326 20 30 CDEDHM Cc1cn(Cc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826317202 608154151 /nfs/dbraw/zinc/15/41/51/608154151.db2.gz RYAWEPVEZXVOBN-UHFFFAOYSA-N -1 3 264.292 1.897 20 30 CDEDHM Cc1cn(Cc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000826317202 608154152 /nfs/dbraw/zinc/15/41/52/608154152.db2.gz RYAWEPVEZXVOBN-UHFFFAOYSA-N -1 3 264.292 1.897 20 30 CDEDHM C=CCN(C(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823903777 608268871 /nfs/dbraw/zinc/26/88/71/608268871.db2.gz KNIFIDNKARTXJS-UHFFFAOYSA-N -1 3 298.350 1.727 20 30 CDEDHM C=CCN(C(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823903777 608268872 /nfs/dbraw/zinc/26/88/72/608268872.db2.gz KNIFIDNKARTXJS-UHFFFAOYSA-N -1 3 298.350 1.727 20 30 CDEDHM C=CC[C@@H](CO)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001602842340 1175429182 /nfs/dbraw/zinc/42/91/82/1175429182.db2.gz HBOYVACFCGVHGU-GHMZBOCLSA-N -1 3 279.336 1.926 20 30 CDEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N(C)C[C@H](C)C#N)n1 ZINC000826262336 608367771 /nfs/dbraw/zinc/36/77/71/608367771.db2.gz MAXMPKDTEOYOMY-MRVPVSSYSA-N -1 3 271.328 1.474 20 30 CDEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N(C)C[C@H](C)C#N)n1 ZINC000826262336 608367769 /nfs/dbraw/zinc/36/77/69/608367769.db2.gz MAXMPKDTEOYOMY-MRVPVSSYSA-N -1 3 271.328 1.474 20 30 CDEDHM C=CC[C@H](CO)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000823888658 608411716 /nfs/dbraw/zinc/41/17/16/608411716.db2.gz SSXGAATZPLHOGQ-QMMMGPOBSA-N -1 3 294.746 1.512 20 30 CDEDHM C=CC[C@H](CO)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000823888658 608411717 /nfs/dbraw/zinc/41/17/17/608411717.db2.gz SSXGAATZPLHOGQ-QMMMGPOBSA-N -1 3 294.746 1.512 20 30 CDEDHM CCC(COC)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825121305 608535632 /nfs/dbraw/zinc/53/56/32/608535632.db2.gz RFVMCAZSAFJMDY-UHFFFAOYSA-N -1 3 295.734 1.739 20 30 CDEDHM CCC(COC)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825121305 608535633 /nfs/dbraw/zinc/53/56/33/608535633.db2.gz RFVMCAZSAFJMDY-UHFFFAOYSA-N -1 3 295.734 1.739 20 30 CDEDHM C[C@@H](C#N)CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000824033938 609384403 /nfs/dbraw/zinc/38/44/03/609384403.db2.gz DCRKVJVROWWQBI-VIFPVBQESA-N -1 3 279.307 1.986 20 30 CDEDHM C[C@@H](C#N)CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000824033938 609384405 /nfs/dbraw/zinc/38/44/05/609384405.db2.gz DCRKVJVROWWQBI-VIFPVBQESA-N -1 3 279.307 1.986 20 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20 30 CDEDHM C=CCOCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000823931985 609574058 /nfs/dbraw/zinc/57/40/58/609574058.db2.gz JUFOXXZULUSIMU-UHFFFAOYSA-N -1 3 290.283 1.389 20 30 CDEDHM C=CCOCCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823925886 609574322 /nfs/dbraw/zinc/57/43/22/609574322.db2.gz QACHVYBALANIRS-UHFFFAOYSA-N -1 3 281.266 1.759 20 30 CDEDHM C=CCOCCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823925886 609574324 /nfs/dbraw/zinc/57/43/24/609574324.db2.gz QACHVYBALANIRS-UHFFFAOYSA-N -1 3 281.266 1.759 20 30 CDEDHM Cc1c(Cl)cnc(NCCCC#N)c1-c1nnn[n-]1 ZINC000826239222 609588337 /nfs/dbraw/zinc/58/83/37/609588337.db2.gz AAUSTSFPKGGFGH-UHFFFAOYSA-N -1 3 277.719 1.939 20 30 CDEDHM Cc1c(Cl)cnc(NCCCC#N)c1-c1nn[n-]n1 ZINC000826239222 609588338 /nfs/dbraw/zinc/58/83/38/609588338.db2.gz AAUSTSFPKGGFGH-UHFFFAOYSA-N -1 3 277.719 1.939 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000890558306 617207555 /nfs/dbraw/zinc/20/75/55/617207555.db2.gz ARLDMPACZNJXBV-JTQLQIEISA-N -1 3 298.364 1.287 20 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/nfs/dbraw/zinc/24/41/87/1173244187.db2.gz RNIOFLXYTFMAJJ-UHFFFAOYSA-N -1 3 272.287 1.351 20 30 CDEDHM CC1(C#N)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001590056709 1173244192 /nfs/dbraw/zinc/24/41/92/1173244192.db2.gz RNIOFLXYTFMAJJ-UHFFFAOYSA-N -1 3 272.287 1.351 20 30 CDEDHM CC[C@H](C#N)Sc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC001590367488 1173376542 /nfs/dbraw/zinc/37/65/42/1173376542.db2.gz AQEWTTKFWRQKRY-MRVPVSSYSA-N -1 3 275.341 1.668 20 30 CDEDHM CC[C@@H](CC#N)NCc1ccc(-c2nnn[n-]2)s1 ZINC001590419087 1173401888 /nfs/dbraw/zinc/40/18/88/1173401888.db2.gz CIJXUHARKOFTFH-QMMMGPOBSA-N -1 3 262.342 1.710 20 30 CDEDHM CC[C@@H](CC#N)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590419087 1173401889 /nfs/dbraw/zinc/40/18/89/1173401889.db2.gz CIJXUHARKOFTFH-QMMMGPOBSA-N -1 3 262.342 1.710 20 30 CDEDHM CCC[C@@H](C)CCCn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001590550763 1173457798 /nfs/dbraw/zinc/45/77/98/1173457798.db2.gz ZKJMWMDYJONJEX-SECBINFHSA-N -1 3 288.359 1.733 20 30 CDEDHM CCC[C@@H](C)CCCn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001590550763 1173457803 /nfs/dbraw/zinc/45/78/03/1173457803.db2.gz ZKJMWMDYJONJEX-SECBINFHSA-N -1 3 288.359 1.733 20 30 CDEDHM COCCN(C)N=C(C)c1cccc(-c2nnn[n-]2)c1 ZINC001591420668 1173649432 /nfs/dbraw/zinc/64/94/32/1173649432.db2.gz MJOIFGKECWNKCU-UHFFFAOYSA-N -1 3 274.328 1.169 20 30 CDEDHM COCCN(C)N=C(C)c1cccc(-c2nn[n-]n2)c1 ZINC001591420668 1173649437 /nfs/dbraw/zinc/64/94/37/1173649437.db2.gz MJOIFGKECWNKCU-UHFFFAOYSA-N -1 3 274.328 1.169 20 30 CDEDHM Cc1cc(C=NNC[C@@H](C)C#N)ccc1-c1nnn[n-]1 ZINC001591958948 1173757172 /nfs/dbraw/zinc/75/71/72/1173757172.db2.gz UQUMCUNZXLTQFE-VIFPVBQESA-N -1 3 269.312 1.258 20 30 CDEDHM Cc1cc(C=NNC[C@@H](C)C#N)ccc1-c1nn[n-]n1 ZINC001591958948 1173757174 /nfs/dbraw/zinc/75/71/74/1173757174.db2.gz UQUMCUNZXLTQFE-VIFPVBQESA-N -1 3 269.312 1.258 20 30 CDEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)NCCC#N ZINC001591985400 1173768267 /nfs/dbraw/zinc/76/82/67/1173768267.db2.gz KNRLIZYKXSMWRZ-UHFFFAOYSA-N -1 3 289.274 1.349 20 30 CDEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)NCCC#N ZINC001591985400 1173768270 /nfs/dbraw/zinc/76/82/70/1173768270.db2.gz KNRLIZYKXSMWRZ-UHFFFAOYSA-N -1 3 289.274 1.349 20 30 CDEDHM Cc1ccc(C(=O)OC[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001592131954 1173808884 /nfs/dbraw/zinc/80/88/84/1173808884.db2.gz XJRQQJZJGLWIMC-MRVPVSSYSA-N -1 3 271.280 1.492 20 30 CDEDHM Cc1ccc(C(=O)OC[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC001592131954 1173808889 /nfs/dbraw/zinc/80/88/89/1173808889.db2.gz XJRQQJZJGLWIMC-MRVPVSSYSA-N -1 3 271.280 1.492 20 30 CDEDHM Cc1nn(C)cc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001592435334 1173887533 /nfs/dbraw/zinc/88/75/33/1173887533.db2.gz SFUCGLXSGKGQAF-FPLPWBNLSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1nn(C)cc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001592435334 1173887538 /nfs/dbraw/zinc/88/75/38/1173887538.db2.gz SFUCGLXSGKGQAF-FPLPWBNLSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1nnc([C@@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)[nH]1 ZINC001592440361 1173889745 /nfs/dbraw/zinc/88/97/45/1173889745.db2.gz CQCKJULECCGYBL-SSDOTTSWSA-N 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/nfs/dbraw/zinc/96/26/53/1173962653.db2.gz PPZCZMZDLYHNIZ-WCQYABFASA-N -1 3 297.318 1.645 20 30 CDEDHM N#CCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001592676452 1173964922 /nfs/dbraw/zinc/96/49/22/1173964922.db2.gz PTIZHGOUWWCUOX-UHFFFAOYSA-N -1 3 274.259 1.039 20 30 CDEDHM N#CCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001592676452 1173964926 /nfs/dbraw/zinc/96/49/26/1173964926.db2.gz PTIZHGOUWWCUOX-UHFFFAOYSA-N -1 3 274.259 1.039 20 30 CDEDHM N#CCCCCC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592674412 1173965035 /nfs/dbraw/zinc/96/50/35/1173965035.db2.gz CEFCUIVQBHSZNC-UHFFFAOYSA-N -1 3 296.334 1.793 20 30 CDEDHM N#CCCCCC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592674412 1173965040 /nfs/dbraw/zinc/96/50/40/1173965040.db2.gz CEFCUIVQBHSZNC-UHFFFAOYSA-N -1 3 296.334 1.793 20 30 CDEDHM N#CCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001592676191 1173967066 /nfs/dbraw/zinc/96/70/66/1173967066.db2.gz FCIRIQGYIMJLCN-UHFFFAOYSA-N -1 3 289.274 1.431 20 30 CDEDHM N#CCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001592676191 1173967071 /nfs/dbraw/zinc/96/70/71/1173967071.db2.gz FCIRIQGYIMJLCN-UHFFFAOYSA-N -1 3 289.274 1.431 20 30 CDEDHM N#Cc1ncn(/C=C/c2ccc([N+](=O)[O-])o2)c1-c1nnn[n-]1 ZINC001592709469 1173980641 /nfs/dbraw/zinc/98/06/41/1173980641.db2.gz FOWJTLHEJBKYRN-ONEGZZNKSA-N -1 3 298.222 1.064 20 30 CDEDHM N#Cc1cc(CN(CCC(=O)[O-])C[C@H]2CCCO2)ccn1 ZINC001601088044 1174736665 /nfs/dbraw/zinc/73/66/65/1174736665.db2.gz NKUUHQOZZQFDFU-CQSZACIVSA-N -1 3 289.335 1.409 20 30 CDEDHM C#CC[C@@H](COC)NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001602684189 1175351535 /nfs/dbraw/zinc/35/15/35/1175351535.db2.gz ZAYWRBWSWGHURR-LBPRGKRZSA-N -1 3 290.363 1.651 20 30 CDEDHM C#CCN(C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001602716799 1175372434 /nfs/dbraw/zinc/37/24/34/1175372434.db2.gz QRBNGQVFMJDFJM-UHFFFAOYSA-N -1 3 296.334 1.841 20 30 CDEDHM C#CCN(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001602716799 1175372443 /nfs/dbraw/zinc/37/24/43/1175372443.db2.gz QRBNGQVFMJDFJM-UHFFFAOYSA-N -1 3 296.334 1.841 20 30 CDEDHM C=C(C)[C@H](C)OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602753530 1175386542 /nfs/dbraw/zinc/38/65/42/1175386542.db2.gz QLHQPJVJDHBVKZ-VIFPVBQESA-N -1 3 273.296 1.692 20 30 CDEDHM C=C(C)[C@H](C)OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602753530 1175386551 /nfs/dbraw/zinc/38/65/51/1175386551.db2.gz QLHQPJVJDHBVKZ-VIFPVBQESA-N -1 3 273.296 1.692 20 30 CDEDHM C=C(C)CN1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001602762438 1175392897 /nfs/dbraw/zinc/39/28/97/1175392897.db2.gz PRYSNDYAEMXXIB-GFCCVEGCSA-N -1 3 298.383 1.959 20 30 CDEDHM C=C(CC)C(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602769973 1175393842 /nfs/dbraw/zinc/39/38/42/1175393842.db2.gz PTTUNSARRULWGX-UHFFFAOYSA-N -1 3 299.334 1.423 20 30 CDEDHM C=C[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001602797236 1175404056 /nfs/dbraw/zinc/40/40/56/1175404056.db2.gz BXPFWYFMYZLCLP-VHSXEESVSA-N -1 3 288.307 1.752 20 30 CDEDHM C=C[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001602797236 1175404057 /nfs/dbraw/zinc/40/40/57/1175404057.db2.gz BXPFWYFMYZLCLP-VHSXEESVSA-N -1 3 288.307 1.752 20 30 CDEDHM C=C[C@@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602798559 1175404968 /nfs/dbraw/zinc/40/49/68/1175404968.db2.gz PIQHYZLZUJQEOM-MFKMUULPSA-N -1 3 296.334 1.240 20 30 CDEDHM C=C[C@@H](C)ONC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602800216 1175406434 /nfs/dbraw/zinc/40/64/34/1175406434.db2.gz KSEWPAXQIQVCOE-SSDOTTSWSA-N -1 3 293.714 1.756 20 30 CDEDHM C=C[C@@H](C)ONC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602800216 1175406441 /nfs/dbraw/zinc/40/64/41/1175406441.db2.gz KSEWPAXQIQVCOE-SSDOTTSWSA-N -1 3 293.714 1.756 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602825595 1175418113 /nfs/dbraw/zinc/41/81/13/1175418113.db2.gz ZBKWWLLAJYOGAU-LLVKDONJSA-N -1 3 299.334 1.666 20 30 CDEDHM C=CC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602825595 1175418116 /nfs/dbraw/zinc/41/81/16/1175418116.db2.gz ZBKWWLLAJYOGAU-LLVKDONJSA-N -1 3 299.334 1.666 20 30 CDEDHM C=CCN(CC=C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001602850882 1175435175 /nfs/dbraw/zinc/43/51/75/1175435175.db2.gz YCOXHQGMYGLVAQ-UHFFFAOYSA-N -1 3 298.350 1.479 20 30 CDEDHM C=CCN(CC=C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001602850882 1175435190 /nfs/dbraw/zinc/43/51/90/1175435190.db2.gz YCOXHQGMYGLVAQ-UHFFFAOYSA-N -1 3 298.350 1.479 20 30 CDEDHM C[C@H](C#N)N(Cc1cncc(-c2nnn[n-]2)c1)C1CC1 ZINC001602989843 1175472808 /nfs/dbraw/zinc/47/28/08/1175472808.db2.gz UTULTXCAPCQNJD-SECBINFHSA-N -1 3 269.312 1.138 20 30 CDEDHM C[C@H](C#N)N(Cc1cncc(-c2nn[n-]n2)c1)C1CC1 ZINC001602989843 1175472811 /nfs/dbraw/zinc/47/28/11/1175472811.db2.gz UTULTXCAPCQNJD-SECBINFHSA-N -1 3 269.312 1.138 20 30 CDEDHM CC1(C)CO[C@@H](CNc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001603791155 1175632453 /nfs/dbraw/zinc/63/24/53/1175632453.db2.gz DMKZXOYMDBLTEC-LLVKDONJSA-N -1 3 298.350 1.965 20 30 CDEDHM CC1(C)CO[C@@H](CNc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001603791155 1175632455 /nfs/dbraw/zinc/63/24/55/1175632455.db2.gz DMKZXOYMDBLTEC-LLVKDONJSA-N -1 3 298.350 1.965 20 30 CDEDHM CCC(=NN(C)[C@@H](C)CO)c1cccc(-c2nnn[n-]2)c1 ZINC001603965759 1175700385 /nfs/dbraw/zinc/70/03/85/1175700385.db2.gz OURBDFUSWIICNV-JTQLQIEISA-N -1 3 288.355 1.293 20 30 CDEDHM CCC(=NN(C)[C@@H](C)CO)c1cccc(-c2nn[n-]n2)c1 ZINC001603965759 1175700391 /nfs/dbraw/zinc/70/03/91/1175700391.db2.gz OURBDFUSWIICNV-JTQLQIEISA-N -1 3 288.355 1.293 20 30 CDEDHM CC[C@@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604007587 1175716766 /nfs/dbraw/zinc/71/67/66/1175716766.db2.gz PLEJHBINBBHDOD-ZWNOBZJWSA-N -1 3 299.334 1.891 20 30 CDEDHM CC[C@@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604007587 1175716768 /nfs/dbraw/zinc/71/67/68/1175716768.db2.gz PLEJHBINBBHDOD-ZWNOBZJWSA-N -1 3 299.334 1.891 20 30 CDEDHM N#CCC1(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001606346247 1163871972 /nfs/dbraw/zinc/87/19/72/1163871972.db2.gz OCTOYTQVIMDVGP-UHFFFAOYSA-N -1 3 255.285 1.367 20 30 CDEDHM N#CCC1(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001606346247 1163871979 /nfs/dbraw/zinc/87/19/79/1163871979.db2.gz 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ZINC001588345580 1173045033 /nfs/dbraw/zinc/04/50/33/1173045033.db2.gz FOJCOSYOFFUBSG-UHFFFAOYSA-N -1 3 273.344 1.538 20 30 CDEDHM C#CCN(CC1CC1)C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588350526 1173050231 /nfs/dbraw/zinc/05/02/31/1173050231.db2.gz BOGQWJDCFZPRNH-UHFFFAOYSA-N -1 3 295.346 1.661 20 30 CDEDHM C#CCN(CC1CC1)C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588350526 1173050238 /nfs/dbraw/zinc/05/02/38/1173050238.db2.gz BOGQWJDCFZPRNH-UHFFFAOYSA-N -1 3 295.346 1.661 20 30 CDEDHM C#CCNC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588353676 1173052177 /nfs/dbraw/zinc/05/21/77/1173052177.db2.gz AMLAZGGFRMNTCE-ZDUSSCGKSA-N -1 3 296.334 1.177 20 30 CDEDHM C#CCNC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588353676 1173052185 /nfs/dbraw/zinc/05/21/85/1173052185.db2.gz AMLAZGGFRMNTCE-ZDUSSCGKSA-N -1 3 296.334 1.177 20 30 CDEDHM C=CC1CCN(C(=O)c2cc(C)c(-c3nnn[n-]3)cn2)CC1 ZINC001588527352 1173076059 /nfs/dbraw/zinc/07/60/59/1173076059.db2.gz IMTSWPXRTRCTHE-UHFFFAOYSA-N -1 3 298.350 1.608 20 30 CDEDHM C=CC1CCN(C(=O)c2cc(C)c(-c3nn[n-]n3)cn2)CC1 ZINC001588527352 1173076068 /nfs/dbraw/zinc/07/60/68/1173076068.db2.gz IMTSWPXRTRCTHE-UHFFFAOYSA-N -1 3 298.350 1.608 20 30 CDEDHM C=CCCOCC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588615698 1173088104 /nfs/dbraw/zinc/08/81/04/1173088104.db2.gz DKJJABJIXRPMGX-UHFFFAOYSA-N -1 3 291.286 1.537 20 30 CDEDHM C=CCCOCC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588615698 1173088107 /nfs/dbraw/zinc/08/81/07/1173088107.db2.gz DKJJABJIXRPMGX-UHFFFAOYSA-N -1 3 291.286 1.537 20 30 CDEDHM C=CCNC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588658525 1173097608 /nfs/dbraw/zinc/09/76/08/1173097608.db2.gz OMCCLFYBUVIGTL-UHFFFAOYSA-N -1 3 298.350 1.731 20 30 CDEDHM C=CCNC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588658525 1173097613 /nfs/dbraw/zinc/09/76/13/1173097613.db2.gz OMCCLFYBUVIGTL-UHFFFAOYSA-N -1 3 298.350 1.731 20 30 CDEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCC[C@H](C#N)C2)c1 ZINC001588900998 1173110317 /nfs/dbraw/zinc/11/03/17/1173110317.db2.gz IMMSZYMZPBLEFE-LLVKDONJSA-N -1 3 296.334 1.809 20 30 CDEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCC[C@H](C#N)C2)c1 ZINC001588900998 1173110324 /nfs/dbraw/zinc/11/03/24/1173110324.db2.gz IMMSZYMZPBLEFE-LLVKDONJSA-N -1 3 296.334 1.809 20 30 CDEDHM C[C@H](C#N)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588934265 1173115206 /nfs/dbraw/zinc/11/52/06/1173115206.db2.gz HUAJFXXBXDBCEL-SSDOTTSWSA-N -1 3 289.274 1.287 20 30 CDEDHM C[C@H](C#N)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588934265 1173115211 /nfs/dbraw/zinc/11/52/11/1173115211.db2.gz HUAJFXXBXDBCEL-SSDOTTSWSA-N -1 3 289.274 1.287 20 30 CDEDHM CC(C)(C)C#CC(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC001589071784 1173122738 /nfs/dbraw/zinc/12/27/38/1173122738.db2.gz RHBCQLPBFQOQTP-UHFFFAOYSA-N -1 3 284.319 1.959 20 30 CDEDHM CC(C)(C)C#CC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC001589071784 1173122743 /nfs/dbraw/zinc/12/27/43/1173122743.db2.gz RHBCQLPBFQOQTP-UHFFFAOYSA-N -1 3 284.319 1.959 20 30 CDEDHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001589503345 1173151692 /nfs/dbraw/zinc/15/16/92/1173151692.db2.gz RBTHCNDTUKYHEG-YPMHNXCESA-N -1 3 296.334 1.969 20 30 CDEDHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001589503345 1173151695 /nfs/dbraw/zinc/15/16/95/1173151695.db2.gz RBTHCNDTUKYHEG-YPMHNXCESA-N -1 3 296.334 1.969 20 30 CDEDHM CC[C@H](C#N)NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590866401 1173534049 /nfs/dbraw/zinc/53/40/49/1173534049.db2.gz WSFKHFZBKAGIJY-GFCCVEGCSA-N -1 3 296.334 1.317 20 30 CDEDHM CC[C@H](C#N)NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590866401 1173534053 /nfs/dbraw/zinc/53/40/53/1173534053.db2.gz WSFKHFZBKAGIJY-GFCCVEGCSA-N -1 3 296.334 1.317 20 30 CDEDHM COCC#CCN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001591361391 1173632360 /nfs/dbraw/zinc/63/23/60/1173632360.db2.gz KYJVXHQAVMSZKJ-UHFFFAOYSA-N -1 3 283.335 1.269 20 30 CDEDHM Cc1cc(C(=O)OCC2(C#N)CC2)ncc1-c1nnn[n-]1 ZINC001591937502 1173750573 /nfs/dbraw/zinc/75/05/73/1173750573.db2.gz UXIMJJZXYUFEAC-UHFFFAOYSA-N -1 3 284.279 1.031 20 30 CDEDHM Cc1cc(C(=O)OCC2(C#N)CC2)ncc1-c1nn[n-]n1 ZINC001591937502 1173750577 /nfs/dbraw/zinc/75/05/77/1173750577.db2.gz UXIMJJZXYUFEAC-UHFFFAOYSA-N -1 3 284.279 1.031 20 30 CDEDHM Cc1cc(C(=O)OC[C@H](C)C#N)cc(C)c1-c1nnn[n-]1 ZINC001591936939 1173751176 /nfs/dbraw/zinc/75/11/76/1173751176.db2.gz JLUJHVJAQBHNFC-MRVPVSSYSA-N -1 3 285.307 1.800 20 30 CDEDHM Cc1cc(C(=O)OC[C@H](C)C#N)cc(C)c1-c1nn[n-]n1 ZINC001591936939 1173751179 /nfs/dbraw/zinc/75/11/79/1173751179.db2.gz JLUJHVJAQBHNFC-MRVPVSSYSA-N -1 3 285.307 1.800 20 30 CDEDHM Cc1cc(NC(=O)C(C)(C)C#N)ncc1-c1nnn[n-]1 ZINC001592014038 1173773016 /nfs/dbraw/zinc/77/30/16/1173773016.db2.gz YMFFYNSSXJARBA-UHFFFAOYSA-N -1 3 271.284 1.058 20 30 CDEDHM Cc1cc(NC(=O)C(C)(C)C#N)ncc1-c1nn[n-]n1 ZINC001592014038 1173773019 /nfs/dbraw/zinc/77/30/19/1173773019.db2.gz YMFFYNSSXJARBA-UHFFFAOYSA-N -1 3 271.284 1.058 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCC(F)(F)F ZINC001592341056 1173862403 /nfs/dbraw/zinc/86/24/03/1173862403.db2.gz PFXVLNYGKQFKCI-UHFFFAOYSA-N -1 3 271.206 1.196 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCC(F)(F)F ZINC001592341056 1173862410 /nfs/dbraw/zinc/86/24/10/1173862410.db2.gz PFXVLNYGKQFKCI-UHFFFAOYSA-N -1 3 271.206 1.196 20 30 CDEDHM Fc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001592648371 1173953223 /nfs/dbraw/zinc/95/32/23/1173953223.db2.gz IYGXHOXBUYXMPH-UHFFFAOYSA-N -1 3 297.297 1.525 20 30 CDEDHM Fc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001592648371 1173953227 /nfs/dbraw/zinc/95/32/27/1173953227.db2.gz IYGXHOXBUYXMPH-UHFFFAOYSA-N -1 3 297.297 1.525 20 30 CDEDHM N#CC1(CC(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001592667053 1173960753 /nfs/dbraw/zinc/96/07/53/1173960753.db2.gz OGYSCGJVWRXKBH-UHFFFAOYSA-N -1 3 294.318 1.450 20 30 CDEDHM N#CC1(CC(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001592667053 1173960756 /nfs/dbraw/zinc/96/07/56/1173960756.db2.gz OGYSCGJVWRXKBH-UHFFFAOYSA-N -1 3 294.318 1.450 20 30 CDEDHM N#C[C@]1(F)CCN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001592670733 1173961537 /nfs/dbraw/zinc/96/15/37/1173961537.db2.gz MPCXZCFOXZYILZ-CYBMUJFWSA-N -1 3 272.287 1.304 20 30 CDEDHM N#C[C@]1(F)CCN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001592670733 1173961541 /nfs/dbraw/zinc/96/15/41/1173961541.db2.gz MPCXZCFOXZYILZ-CYBMUJFWSA-N -1 3 272.287 1.304 20 30 CDEDHM N#CC[C@H](NCc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001592674208 1173966263 /nfs/dbraw/zinc/96/62/63/1173966263.db2.gz APHXXGKHVRRDMC-JTQLQIEISA-N -1 3 296.256 1.801 20 30 CDEDHM N#CC[C@H](NCc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001592674208 1173966269 /nfs/dbraw/zinc/96/62/69/1173966269.db2.gz APHXXGKHVRRDMC-JTQLQIEISA-N -1 3 296.256 1.801 20 30 CDEDHM N#CCCNc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001592677984 1173967824 /nfs/dbraw/zinc/96/78/24/1173967824.db2.gz KNIIPHDYLDHETR-UHFFFAOYSA-N -1 3 294.116 1.350 20 30 CDEDHM N#CCCNc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001592677984 1173967828 /nfs/dbraw/zinc/96/78/28/1173967828.db2.gz KNIIPHDYLDHETR-UHFFFAOYSA-N -1 3 294.116 1.350 20 30 CDEDHM N#CCOc1c(Cl)cc(F)cc1-c1nnn[n-]1 ZINC001592678938 1173969469 /nfs/dbraw/zinc/96/94/69/1173969469.db2.gz ZHANVWVUKPKXIH-UHFFFAOYSA-N -1 3 253.624 1.562 20 30 CDEDHM N#CCOc1c(Cl)cc(F)cc1-c1nn[n-]n1 ZINC001592678938 1173969471 /nfs/dbraw/zinc/96/94/71/1173969471.db2.gz ZHANVWVUKPKXIH-UHFFFAOYSA-N -1 3 253.624 1.562 20 30 CDEDHM N#CCCSc1ncc(-c2nnn[n-]2)cc1Cl ZINC001592678359 1173969475 /nfs/dbraw/zinc/96/94/75/1173969475.db2.gz SUJVOYORSFZTJP-UHFFFAOYSA-N -1 3 266.717 1.921 20 30 CDEDHM N#CCCSc1ncc(-c2nn[n-]n2)cc1Cl ZINC001592678359 1173969476 /nfs/dbraw/zinc/96/94/76/1173969476.db2.gz SUJVOYORSFZTJP-UHFFFAOYSA-N -1 3 266.717 1.921 20 30 CDEDHM N#Cc1ccc(CNc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001592694216 1173971432 /nfs/dbraw/zinc/97/14/32/1173971432.db2.gz OWZROYZUJNMJDD-UHFFFAOYSA-N -1 3 277.291 1.745 20 30 CDEDHM N#Cc1ccc(CNc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001592694216 1173971438 /nfs/dbraw/zinc/97/14/38/1173971438.db2.gz OWZROYZUJNMJDD-UHFFFAOYSA-N -1 3 277.291 1.745 20 30 CDEDHM N#Cc1cnn(Cc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC001592704144 1173976883 /nfs/dbraw/zinc/97/68/83/1173976883.db2.gz XKXPKXBSCHYORI-UHFFFAOYSA-N -1 3 290.290 1.236 20 30 CDEDHM N#Cc1cnn(Cc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC001592704144 1173976887 /nfs/dbraw/zinc/97/68/87/1173976887.db2.gz XKXPKXBSCHYORI-UHFFFAOYSA-N -1 3 290.290 1.236 20 30 CDEDHM N#Cc1nc(N)n(C2CC3(CCC3)C2)c1-c1nnn[n-]1 ZINC001592705792 1173976943 /nfs/dbraw/zinc/97/69/43/1173976943.db2.gz DOYPCTDEVMTBOX-UHFFFAOYSA-N -1 3 270.300 1.022 20 30 CDEDHM N#Cc1nc(N)n(C2CC3(CCC3)C2)c1-c1nn[n-]n1 ZINC001592705792 1173976947 /nfs/dbraw/zinc/97/69/47/1173976947.db2.gz DOYPCTDEVMTBOX-UHFFFAOYSA-N -1 3 270.300 1.022 20 30 CDEDHM N#Cc1ncn(CC#Cc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001592709486 1173981616 /nfs/dbraw/zinc/98/16/16/1173981616.db2.gz GCTHBHRGCHFHDY-UHFFFAOYSA-N -1 3 293.265 1.126 20 30 CDEDHM c1cc(-c2nnn[n-]2)ccc1CCON=C1CCC1 ZINC001593546850 1174116173 /nfs/dbraw/zinc/11/61/73/1174116173.db2.gz DMVYFZQUEWBJLH-UHFFFAOYSA-N -1 3 257.297 1.966 20 30 CDEDHM c1cc(-c2nn[n-]n2)ccc1CCON=C1CCC1 ZINC001593546850 1174116178 /nfs/dbraw/zinc/11/61/78/1174116178.db2.gz DMVYFZQUEWBJLH-UHFFFAOYSA-N -1 3 257.297 1.966 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602690411 1175354727 /nfs/dbraw/zinc/35/47/27/1175354727.db2.gz VELGEYJCCYKNLS-VIFPVBQESA-N -1 3 289.726 1.662 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602690411 1175354737 /nfs/dbraw/zinc/35/47/37/1175354737.db2.gz VELGEYJCCYKNLS-VIFPVBQESA-N -1 3 289.726 1.662 20 30 CDEDHM C#CCC[C@@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001602703258 1175367893 /nfs/dbraw/zinc/36/78/93/1175367893.db2.gz MDUDJQRWBPGCBO-MRVPVSSYSA-N -1 3 259.269 1.154 20 30 CDEDHM C#CCC[C@@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001602703258 1175367900 /nfs/dbraw/zinc/36/79/00/1175367900.db2.gz MDUDJQRWBPGCBO-MRVPVSSYSA-N -1 3 259.269 1.154 20 30 CDEDHM C#CCN(CC1CC1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001602717812 1175370272 /nfs/dbraw/zinc/37/02/72/1175370272.db2.gz CLHMCCBCQGFGCG-UHFFFAOYSA-N -1 3 295.346 1.661 20 30 CDEDHM C#CCN(CC1CC1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001602717812 1175370280 /nfs/dbraw/zinc/37/02/80/1175370280.db2.gz CLHMCCBCQGFGCG-UHFFFAOYSA-N -1 3 295.346 1.661 20 30 CDEDHM C=C(C)CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602762803 1175392484 /nfs/dbraw/zinc/39/24/84/1175392484.db2.gz JBQPFSKUTOWEDR-ZDUSSCGKSA-N -1 3 296.334 1.241 20 30 CDEDHM C=CCCCCCn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001602837819 1175426940 /nfs/dbraw/zinc/42/69/40/1175426940.db2.gz HXTBJSDDVUKYNW-UHFFFAOYSA-N -1 3 271.328 1.990 20 30 CDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CC1 ZINC001602856625 1175436392 /nfs/dbraw/zinc/43/63/92/1175436392.db2.gz OYYVUNYCUNLQAM-UHFFFAOYSA-N -1 3 298.350 1.727 20 30 CDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CC1 ZINC001602856625 1175436397 /nfs/dbraw/zinc/43/63/97/1175436397.db2.gz OYYVUNYCUNLQAM-UHFFFAOYSA-N -1 3 298.350 1.727 20 30 CDEDHM C=CCOCCCNc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001602870687 1175440325 /nfs/dbraw/zinc/44/03/25/1175440325.db2.gz NRMYXHOZZALKMJ-UHFFFAOYSA-N -1 3 274.328 1.575 20 30 CDEDHM C=CCOCCCNc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001602870687 1175440330 /nfs/dbraw/zinc/44/03/30/1175440330.db2.gz NRMYXHOZZALKMJ-UHFFFAOYSA-N -1 3 274.328 1.575 20 30 CDEDHM CC(C)(C#N)CCOC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001603034417 1175480194 /nfs/dbraw/zinc/48/01/94/1175480194.db2.gz AZPDWVSEZIINBE-UHFFFAOYSA-N -1 3 286.295 1.358 20 30 CDEDHM CC(C)(C#N)CCOC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001603034417 1175480198 /nfs/dbraw/zinc/48/01/98/1175480198.db2.gz AZPDWVSEZIINBE-UHFFFAOYSA-N -1 3 286.295 1.358 20 30 CDEDHM C[C@H](C#N)OCCN[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001603131541 1175497600 /nfs/dbraw/zinc/49/76/00/1175497600.db2.gz GPWQNXCGFXHYHP-BXKDBHETSA-N -1 3 264.281 1.036 20 30 CDEDHM CC[C@H](C)NN=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001604006198 1175717660 /nfs/dbraw/zinc/71/76/60/1175717660.db2.gz CMVGBNCPVAFIJZ-VIFPVBQESA-N -1 3 274.328 1.597 20 30 CDEDHM CC[C@H](C)NN=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001604006198 1175717665 /nfs/dbraw/zinc/71/76/65/1175717665.db2.gz 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ZINC000381790707 971778369 /nfs/dbraw/zinc/77/83/69/971778369.db2.gz GWRLWDYYMWYKIU-GXFFZTMASA-N -1 3 259.309 1.496 20 30 CDEDHM C=CCCCCCC[C@H](O)CNCc1nnn[n-]1 ZINC001253248825 951826111 /nfs/dbraw/zinc/82/61/11/951826111.db2.gz CLUMGCHHKZNMCO-NSHDSACASA-N -1 3 253.350 1.177 20 30 CDEDHM C=C(C)C[C@H](C)C(=O)N(CCN(C)C)CC(=O)[O-] ZINC001588442580 958346491 /nfs/dbraw/zinc/34/64/91/958346491.db2.gz SLUUETLTGANQGD-NSHDSACASA-N -1 3 256.346 1.064 20 30 CDEDHM C#CCN(C)CCCNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001573319060 958470662 /nfs/dbraw/zinc/47/06/62/958470662.db2.gz UXDUBUOJLGMODV-UHFFFAOYSA-N -1 3 294.395 1.483 20 30 CDEDHM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1cncc(C#N)c1 ZINC001594215915 959330970 /nfs/dbraw/zinc/33/09/70/959330970.db2.gz LNSOKHCSWHFHPQ-ZWNOBZJWSA-N -1 3 259.309 1.781 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(CF)CF ZINC001433484698 960358033 /nfs/dbraw/zinc/35/80/33/960358033.db2.gz MZJTWESLUOXTJL-UHFFFAOYSA-N -1 3 297.305 1.632 20 30 CDEDHM C[C@@H](C#N)CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001433706394 960541049 /nfs/dbraw/zinc/54/10/49/960541049.db2.gz BIHPQILSYZRZJE-ZETCQYMHSA-N -1 3 291.257 1.696 20 30 CDEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)CCCF ZINC001340379786 962915421 /nfs/dbraw/zinc/91/54/21/962915421.db2.gz IEWSYWAOZGBMMW-UHFFFAOYSA-N -1 3 281.291 1.621 20 30 CDEDHM Cc1[nH]cnc1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001349703005 966438526 /nfs/dbraw/zinc/43/85/26/966438526.db2.gz UTICVWHFCURPCF-ZETCQYMHSA-N -1 3 263.688 1.595 20 30 CDEDHM Cc1nn(C)c(C)c1C([O-])=C(C#N)c1nccn1C ZINC001356578430 969434582 /nfs/dbraw/zinc/43/45/82/969434582.db2.gz OODNJNCCNJYKHK-JTQLQIEISA-N -1 3 257.297 1.261 20 30 CDEDHM COC(=O)c1cccc(CN[C@H](C(=O)[O-])C(C)C)c1C#N ZINC001604399979 973132172 /nfs/dbraw/zinc/13/21/72/973132172.db2.gz KPIMWSCLTLPPBW-ZDUSSCGKSA-N -1 3 290.319 1.544 20 30 CDEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001605467974 973581408 /nfs/dbraw/zinc/58/14/08/973581408.db2.gz OWFFTWDRBUPCKX-GMTAPVOTSA-N -1 3 297.314 1.860 20 30 CDEDHM C[C@](CC(=O)[O-])(NCc1nc(C#N)cs1)C1CC1 ZINC001592329395 977757471 /nfs/dbraw/zinc/75/74/71/977757471.db2.gz HCYNMUYYQAKCHW-GFCCVEGCSA-N -1 3 265.338 1.748 20 30 CDEDHM C#CC[C@@H](COC)NCc1cc(C(=O)[O-])c(C)[nH]1 ZINC000716950753 977866987 /nfs/dbraw/zinc/86/69/87/977866987.db2.gz XNCRYJMOIXJYDV-JTQLQIEISA-N -1 3 250.298 1.149 20 30 CDEDHM CCCC[C@H](NCC#C[C@@H]1CCCCO1)C(=O)[O-] ZINC001595639482 981960774 /nfs/dbraw/zinc/96/07/74/981960774.db2.gz ZCXFIHMHTFJCFY-STQMWFEESA-N -1 3 253.342 1.792 20 30 CDEDHM C=C(Cl)C[C@@H](N)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001588637920 983761507 /nfs/dbraw/zinc/76/15/07/983761507.db2.gz YVDCIAODOYYGBZ-SNVBAGLBSA-N -1 3 288.775 1.608 20 30 CDEDHM C=C[C@H](C(=O)[O-])N(C)Cc1cc(Br)cn1C ZINC001588664589 983801978 /nfs/dbraw/zinc/80/19/78/983801978.db2.gz SLCWAQBSTDCZAQ-SNVBAGLBSA-N -1 3 287.157 1.859 20 30 CDEDHM C=C[C@H](COC)NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001588692773 983886340 /nfs/dbraw/zinc/88/63/40/983886340.db2.gz JQCQBFCLGGUDDI-WCQYABFASA-N -1 3 279.336 1.829 20 30 CDEDHM C=CC[C@@H](C(=O)[O-])N1CCN(C(=O)N(CC)CC)CC1 ZINC001588729088 983986065 /nfs/dbraw/zinc/98/60/65/983986065.db2.gz HBJAVTNCVTWMDP-LBPRGKRZSA-N -1 3 283.372 1.095 20 30 CDEDHM C=CC[C@@H](C(=O)[O-])N1CCc2nc(COC)ncc2C1 ZINC001588731852 984013011 /nfs/dbraw/zinc/01/30/11/984013011.db2.gz OLNBSADIFSSNOZ-LBPRGKRZSA-N -1 3 277.324 1.010 20 30 CDEDHM C=CCCC[C@@H](NC(=O)c1ccc2c(c1)CNC2)C(=O)[O-] ZINC001588793654 984220440 /nfs/dbraw/zinc/22/04/40/984220440.db2.gz VYQADYCOFHEAMT-CQSZACIVSA-N -1 3 288.347 1.829 20 30 CDEDHM C=CCN(C)CCN(CC)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001588822787 984291382 /nfs/dbraw/zinc/29/13/82/984291382.db2.gz PXVJKOKBNHJXIG-UHFFFAOYSA-N -1 3 291.351 1.360 20 30 CDEDHM C=CCOC[C@H](NCc1ccc(OC)c(O)c1)C(=O)[O-] ZINC001588866398 984425098 /nfs/dbraw/zinc/42/50/98/984425098.db2.gz OIFIHOUMJMJDRC-NSHDSACASA-N -1 3 281.308 1.146 20 30 CDEDHM C=CCOCCN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001588869180 984438827 /nfs/dbraw/zinc/43/88/27/984438827.db2.gz XJXOEYMGVYVALJ-CQSZACIVSA-N -1 3 294.307 1.687 20 30 CDEDHM CO[C@]1(C(=O)[O-])CCN(CCOc2ccccc2C#N)C1 ZINC001599078064 996924020 /nfs/dbraw/zinc/92/40/20/996924020.db2.gz OBMDEGAGDTVQFM-OAHLLOKOSA-N -1 3 290.319 1.113 20 30 CDEDHM CON=Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001605143131 1163465456 /nfs/dbraw/zinc/46/54/56/1163465456.db2.gz GXJYVDIHEAGCIP-UHFFFAOYSA-N -1 3 271.202 1.866 20 30 CDEDHM CON=Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001605143131 1163465461 /nfs/dbraw/zinc/46/54/61/1163465461.db2.gz GXJYVDIHEAGCIP-UHFFFAOYSA-N -1 3 271.202 1.866 20 30 CDEDHM CC(C)C[C@H](NC(=O)Nc1ccccc1F)C(=O)N[O-] ZINC000095586416 185013203 /nfs/dbraw/zinc/01/32/03/185013203.db2.gz JTSSHCUIUIZLTB-NSHDSACASA-N -1 3 283.303 1.867 20 30 CDEDHM N#Cc1c([N-]C(=O)c2cnns2)n[nH]c1C1CC1 ZINC000290426898 342532930 /nfs/dbraw/zinc/53/29/30/342532930.db2.gz JWTKBHFXTDMAAF-UHFFFAOYSA-N -1 3 260.282 1.263 20 30 CDEDHM COc1cc(C(=O)N2CC(C#N)C2)cc(OC)c1[O-] ZINC000590489501 342565306 /nfs/dbraw/zinc/56/53/06/342565306.db2.gz ZIKQEUWTIUCITI-UHFFFAOYSA-N -1 3 262.265 1.005 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC1CC1 ZINC000047903996 342144574 /nfs/dbraw/zinc/14/45/74/342144574.db2.gz WVBCQVVMKKULSX-UHFFFAOYSA-N -1 3 287.363 1.664 20 30 CDEDHM C=CCCCS(=O)(=O)[N-]c1c(C)nn(C)c1N1CCC1 ZINC000629353399 361851501 /nfs/dbraw/zinc/85/15/01/361851501.db2.gz DEYHUQVTHDLIFV-UHFFFAOYSA-N -1 3 298.412 1.647 20 30 CDEDHM CCC(C#N)=C([O-])N=c1cc(C)n(CC(F)(F)F)[nH]1 ZINC000593744525 342827422 /nfs/dbraw/zinc/82/74/22/342827422.db2.gz OBWLABJJHLABET-MRVPVSSYSA-N -1 3 274.246 1.664 20 30 CDEDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2C#N)C1(C)C ZINC000300423396 362091177 /nfs/dbraw/zinc/09/11/77/362091177.db2.gz QZLFLXSAWOXLIT-RYUDHWBXSA-N -1 3 295.364 1.045 20 30 CDEDHM CCN(C[C@H](C)C#N)C(=O)c1cc(F)c[n-]c1=O ZINC000598674024 343873616 /nfs/dbraw/zinc/87/36/16/343873616.db2.gz UFJYVZVROQMMMU-MRVPVSSYSA-N -1 3 251.261 1.548 20 30 CDEDHM CC(C)(CCC#N)CNC(=O)c1cc(F)c[n-]c1=O ZINC000598735043 343891429 /nfs/dbraw/zinc/89/14/29/343891429.db2.gz IAFCGSQGVFUGDB-UHFFFAOYSA-N -1 3 265.288 1.986 20 30 CDEDHM Cc1nsc(NCCCc2c[n-][nH]c2=O)c1C#N ZINC000601194993 349925260 /nfs/dbraw/zinc/92/52/60/349925260.db2.gz AKUDBXGVLVSZEK-MRVPVSSYSA-N -1 3 263.326 1.247 20 30 CDEDHM C=CCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000617614066 345877048 /nfs/dbraw/zinc/87/70/48/345877048.db2.gz KKWSWTZJHZVYDK-SECBINFHSA-N -1 3 288.394 1.107 20 30 CDEDHM CN1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230338583 346549658 /nfs/dbraw/zinc/54/96/58/346549658.db2.gz PPBOPKVYYXYJCR-SNVBAGLBSA-N -1 3 299.421 1.240 20 30 CDEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2cocn2)c1 ZINC000611233450 346704876 /nfs/dbraw/zinc/70/48/76/346704876.db2.gz IYLZVVXLBUHEPI-UHFFFAOYSA-N -1 3 295.295 1.305 20 30 CDEDHM CC(C)(C)C(=O)C[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000086515497 179305148 /nfs/dbraw/zinc/30/51/48/179305148.db2.gz SRNWJLUYFGWDIJ-UHFFFAOYSA-N -1 3 294.376 1.593 20 30 CDEDHM CN(C)C[C@H]1CCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000614300367 348065105 /nfs/dbraw/zinc/06/51/05/348065105.db2.gz GGIGRVNZJGGXLM-CQSZACIVSA-N -1 3 287.363 1.820 20 30 CDEDHM N#Cc1ccc(N2[N-]C(=O)CCC2=O)c(C(F)(F)F)c1 ZINC000601946514 350034131 /nfs/dbraw/zinc/03/41/31/350034131.db2.gz BBJFCNFUQFRXIM-UHFFFAOYSA-N -1 3 283.209 1.735 20 30 CDEDHM C#CCO[N-]C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000291334869 197992102 /nfs/dbraw/zinc/99/21/02/197992102.db2.gz VBMIQUZFXMDDQV-UHFFFAOYSA-N -1 3 257.211 1.929 20 30 CDEDHM C=CCCOCCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000155155840 188187900 /nfs/dbraw/zinc/18/79/00/188187900.db2.gz ICPRWUIHSUIZPZ-UHFFFAOYSA-N -1 3 292.335 1.673 20 30 CDEDHM CSC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000157762075 188337783 /nfs/dbraw/zinc/33/77/83/188337783.db2.gz ALCSQLWULNFYAK-QMMMGPOBSA-N -1 3 288.369 1.727 20 30 CDEDHM CCC[C@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000233338422 356321679 /nfs/dbraw/zinc/32/16/79/356321679.db2.gz JNXADHSZKGYANV-VIFPVBQESA-N -1 3 253.327 1.420 20 30 CDEDHM N#Cc1ccc(N2CCC[C@]3(C2)NC(=O)[N-]C3=O)nc1 ZINC000330340917 283160253 /nfs/dbraw/zinc/16/02/53/283160253.db2.gz YOKNVARLQHUFFK-CYBMUJFWSA-N -1 3 271.280 1.176 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000608985191 356801159 /nfs/dbraw/zinc/80/11/59/356801159.db2.gz KVBCDTGGTOSGAA-NSHDSACASA-N -1 3 289.335 1.130 20 30 CDEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000050336957 357235113 /nfs/dbraw/zinc/23/51/13/357235113.db2.gz BTGAVQWKUNQLLZ-SSDOTTSWSA-N -1 3 260.265 1.545 20 30 CDEDHM N#CCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000054138306 357312119 /nfs/dbraw/zinc/31/21/19/357312119.db2.gz XXTMTAZTJMTHNX-UHFFFAOYSA-N -1 3 260.265 1.547 20 30 CDEDHM COCC#CCSc1c(C)cccc1-c1nnn[n-]1 ZINC001579617719 1172225589 /nfs/dbraw/zinc/22/55/89/1172225589.db2.gz FUXHZMQODBLFBH-UHFFFAOYSA-N -1 3 274.349 1.917 20 30 CDEDHM COCC#CCSc1c(C)cccc1-c1nn[n-]n1 ZINC001579617719 1172225594 /nfs/dbraw/zinc/22/55/94/1172225594.db2.gz FUXHZMQODBLFBH-UHFFFAOYSA-N -1 3 274.349 1.917 20 30 CDEDHM C=CCS(=O)(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000272846808 359471191 /nfs/dbraw/zinc/47/11/91/359471191.db2.gz KIYJEQIUUWXJPB-UHFFFAOYSA-N -1 3 283.349 1.031 20 30 CDEDHM COc1cccc(NC(=O)c2cnccc2C#N)c1[O-] ZINC000487177573 359544497 /nfs/dbraw/zinc/54/44/97/359544497.db2.gz DCRHBNWSQRBKFQ-UHFFFAOYSA-N -1 3 269.260 1.920 20 30 CDEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1conc1C ZINC000632300860 360010173 /nfs/dbraw/zinc/01/01/73/360010173.db2.gz DYLMSRIAPKLZFN-CMPLNLGQSA-N -1 3 286.353 1.243 20 30 CDEDHM C=CCCCN(C)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000348447598 360077168 /nfs/dbraw/zinc/07/71/68/360077168.db2.gz VLNYLJUEQSNONV-UHFFFAOYSA-N -1 3 297.380 1.491 20 30 CDEDHM C=CCN(CC=C)C(=O)N=c1[n-]n(C)cc1Br ZINC000640308113 360353614 /nfs/dbraw/zinc/35/36/14/360353614.db2.gz BRMPIGHZIRTKLL-UHFFFAOYSA-N -1 3 299.172 1.810 20 30 CDEDHM C=CCC[C@H](CO)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000515433727 360498002 /nfs/dbraw/zinc/49/80/02/360498002.db2.gz YZFFUQGPGGJALV-SNVBAGLBSA-N -1 3 277.324 1.117 20 30 CDEDHM C=C[C@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000349782396 360937979 /nfs/dbraw/zinc/93/79/79/360937979.db2.gz IZFPUVZPWCLHBN-SECBINFHSA-N -1 3 286.740 1.037 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc[nH]n1 ZINC000075123570 367379523 /nfs/dbraw/zinc/37/95/23/367379523.db2.gz CSBQDJVMGNRKGW-UHFFFAOYSA-N -1 3 285.307 1.158 20 30 CDEDHM Cn1cnnc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000162991401 294490900 /nfs/dbraw/zinc/49/09/00/294490900.db2.gz ZFRLCHYVCMJTIO-UHFFFAOYSA-N -1 3 263.207 1.217 20 30 CDEDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000331899723 204277671 /nfs/dbraw/zinc/27/76/71/204277671.db2.gz BRROPSVDCQAUJA-PSASIEDQSA-N -1 3 295.320 1.543 20 30 CDEDHM C#CCN(C)CCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000294011464 371352387 /nfs/dbraw/zinc/35/23/87/371352387.db2.gz PUPOYLMVWSKMLC-UHFFFAOYSA-N -1 3 280.755 1.731 20 30 CDEDHM C=CCNC(=O)Cc1noc(-c2cc(C)ccc2[O-])n1 ZINC000350727593 372321666 /nfs/dbraw/zinc/32/16/66/372321666.db2.gz XPMUMISKKHWFAT-UHFFFAOYSA-N -1 3 273.292 1.595 20 30 CDEDHM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000276982580 374763792 /nfs/dbraw/zinc/76/37/92/374763792.db2.gz HHBYYIWDKRLDOS-ZYHUDNBSSA-N -1 3 295.364 1.189 20 30 CDEDHM N#Cc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000277392117 374786521 /nfs/dbraw/zinc/78/65/21/374786521.db2.gz POXKXPGFCKHAQW-VIFPVBQESA-N -1 3 283.209 1.935 20 30 CDEDHM COCC1(C[N-]S(=O)(=O)c2cccnc2C#N)CCC1 ZINC000282285517 375076698 /nfs/dbraw/zinc/07/66/98/375076698.db2.gz LAQAFIBJLGXENH-UHFFFAOYSA-N -1 3 295.364 1.048 20 30 CDEDHM N#Cc1ccc(S(=O)(=O)[N-]CCN2CC=CCC2)s1 ZINC000392858773 375083877 /nfs/dbraw/zinc/08/38/77/375083877.db2.gz MZZMOXLIYVNVMT-UHFFFAOYSA-N -1 3 297.405 1.160 20 30 CDEDHM C[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)C(F)(F)F ZINC000428412334 247295195 /nfs/dbraw/zinc/29/51/95/247295195.db2.gz HRHNXHAVYWTPPH-ZETCQYMHSA-N -1 3 293.270 1.430 20 30 CDEDHM C#CCO[N-]C(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC ZINC000291315513 378442883 /nfs/dbraw/zinc/44/28/83/378442883.db2.gz SAPBXTVGFVRBNE-DGCLKSJQSA-N -1 3 275.304 1.488 20 30 CDEDHM N#Cc1ccc(/C=C/C(=O)[N-]O[C@H]2CCOC2)cc1 ZINC000492497821 253232506 /nfs/dbraw/zinc/23/25/06/253232506.db2.gz CJDMHNJRXLNQMK-GFUIURDCSA-N -1 3 258.277 1.408 20 30 CDEDHM N#Cc1cccc(/C=C\C(=O)[N-]OCC(F)F)c1 ZINC000492601670 253254392 /nfs/dbraw/zinc/25/43/92/253254392.db2.gz FGGZSTRFTQIHCB-PLNGDYQASA-N -1 3 252.220 1.884 20 30 CDEDHM COCCN(CC#N)C(=O)c1ccc(OC)cc1[O-] ZINC000317114922 390135553 /nfs/dbraw/zinc/13/55/53/390135553.db2.gz GWEZRZKQNMSJKS-UHFFFAOYSA-N -1 3 264.281 1.013 20 30 CDEDHM Cc1nccn1C[C@H](C)CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188343043 390956942 /nfs/dbraw/zinc/95/69/42/390956942.db2.gz MNOCLAGOVOAFDT-LLVKDONJSA-N -1 3 298.346 1.835 20 30 CDEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000336336450 391126310 /nfs/dbraw/zinc/12/63/10/391126310.db2.gz WSGDVLCTCNAEAG-ZETCQYMHSA-N -1 3 276.720 1.917 20 30 CDEDHM C[C@H](CC#N)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000338073418 391181385 /nfs/dbraw/zinc/18/13/85/391181385.db2.gz MISBEXKYOWOWIH-SECBINFHSA-N -1 3 281.337 1.090 20 30 CDEDHM N#CCCn1ccc(NC([O-])=NOC2CCCC2)n1 ZINC000271757657 391303021 /nfs/dbraw/zinc/30/30/21/391303021.db2.gz ADWSLGFQYWEVPK-UHFFFAOYSA-N -1 3 263.301 1.792 20 30 CDEDHM N#CCCn1ccc(NC(=O)[N-]OC2CCCC2)n1 ZINC000271757657 391303022 /nfs/dbraw/zinc/30/30/22/391303022.db2.gz ADWSLGFQYWEVPK-UHFFFAOYSA-N -1 3 263.301 1.792 20 30 CDEDHM C=CCN(CCC#N)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000359382609 391592077 /nfs/dbraw/zinc/59/20/77/391592077.db2.gz POUMRSBAIKQXCQ-UHFFFAOYSA-N -1 3 285.307 1.216 20 30 CDEDHM C=CC[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000360181130 391645158 /nfs/dbraw/zinc/64/51/58/391645158.db2.gz HACSGUQRCKEHLN-UHFFFAOYSA-N -1 3 273.285 1.077 20 30 CDEDHM CCn1cc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)nc1C ZINC000362127611 391711775 /nfs/dbraw/zinc/71/17/75/391711775.db2.gz AXLVZTNRURWDAL-CYBMUJFWSA-N -1 3 298.412 1.818 20 30 CDEDHM C=C[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000289719082 391762053 /nfs/dbraw/zinc/76/20/53/391762053.db2.gz JMIHTHCSNDVVIQ-BDAKNGLRSA-N -1 3 252.270 1.498 20 30 CDEDHM O=C(NCC1(CCO)CCC1)c1csc(=O)[n-]1 ZINC000329958442 391806284 /nfs/dbraw/zinc/80/62/84/391806284.db2.gz QRHBAGAJUCETBS-UHFFFAOYSA-N -1 3 256.327 1.706 20 30 CDEDHM CCOC([O-])=NOCCOc1ccccc1C#N ZINC000496991400 391930289 /nfs/dbraw/zinc/93/02/89/391930289.db2.gz BITYPIQCFAWGFJ-UHFFFAOYSA-N -1 3 250.254 1.615 20 30 CDEDHM CCOC(=O)[N-]OCCOc1ccccc1C#N ZINC000496991400 391930298 /nfs/dbraw/zinc/93/02/98/391930298.db2.gz BITYPIQCFAWGFJ-UHFFFAOYSA-N -1 3 250.254 1.615 20 30 CDEDHM CC#CC[C@@H](CO)[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000645884459 392461975 /nfs/dbraw/zinc/46/19/75/392461975.db2.gz GWTQXPNHWYLZRG-ZDUSSCGKSA-N -1 3 299.367 1.328 20 30 CDEDHM C[C@@H](CC(=O)N[C@H]1CCCN([O-])C1=O)c1ccco1 ZINC000529425244 392407084 /nfs/dbraw/zinc/40/70/84/392407084.db2.gz DGZOIOIRPCMICD-UWVGGRQHSA-N -1 3 266.297 1.270 20 30 CDEDHM CC#CC[C@H](CO)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000649182844 392953440 /nfs/dbraw/zinc/95/34/40/392953440.db2.gz GCVOOIXTUCTCRA-CYBMUJFWSA-N -1 3 293.338 1.745 20 30 CDEDHM CC#CC[C@@H](CO)NC(=O)c1cc([O-])ccc1Cl ZINC000649182893 392953782 /nfs/dbraw/zinc/95/37/82/392953782.db2.gz HHULQGAQQPQLRA-VIFPVBQESA-N -1 3 267.712 1.550 20 30 CDEDHM N#Cc1nnc2ccccc2c1Sc1n[n-]c(CO)n1 ZINC000530352654 397603603 /nfs/dbraw/zinc/60/36/03/397603603.db2.gz BVTIPLSCFIPMJD-UHFFFAOYSA-N -1 3 284.304 1.263 20 30 CDEDHM N#Cc1cc(S(=O)(=O)[N-]CC(F)F)ccc1F ZINC000098000515 147129914 /nfs/dbraw/zinc/12/99/14/147129914.db2.gz ZIDKLELTLUBPDU-UHFFFAOYSA-N -1 3 264.228 1.241 20 30 CDEDHM COc1ccccc1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344597067 152581506 /nfs/dbraw/zinc/58/15/06/152581506.db2.gz ZBWYEMBBBOMCME-UHFFFAOYSA-N -1 3 292.316 1.638 20 30 CDEDHM Cn1cnc([N-]C(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC000349421088 154112192 /nfs/dbraw/zinc/11/21/92/154112192.db2.gz ZDCRTTNWDRSUEH-UHFFFAOYSA-N -1 3 296.212 1.353 20 30 CDEDHM CCn1cnnc1[N-]C(=O)COc1ccc(C#N)cc1 ZINC000356188015 157390098 /nfs/dbraw/zinc/39/00/98/157390098.db2.gz UDHFIQFZOSCPHQ-UHFFFAOYSA-N -1 3 271.280 1.187 20 30 CDEDHM N#Cc1c([N-]C(=O)c2ccc(C(N)=O)o2)n[nH]c1C1CC1 ZINC000359720862 158351607 /nfs/dbraw/zinc/35/16/07/158351607.db2.gz XLMAKGZZRXVBRK-UHFFFAOYSA-N -1 3 285.263 1.103 20 30 CDEDHM C=CCC1(NC(=O)C(=O)[N-]c2cnns2)CCCC1 ZINC000658729426 413434168 /nfs/dbraw/zinc/43/41/68/413434168.db2.gz NCSMICUBVHCGGT-UHFFFAOYSA-N -1 3 280.353 1.482 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001588326594 1173027728 /nfs/dbraw/zinc/02/77/28/1173027728.db2.gz QAPODQMJLKJXQC-SECBINFHSA-N -1 3 273.271 1.147 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001588326594 1173027735 /nfs/dbraw/zinc/02/77/35/1173027735.db2.gz QAPODQMJLKJXQC-SECBINFHSA-N -1 3 273.271 1.147 20 30 CDEDHM C#C[C@@H](NC(=O)c1csc(-c2nnn[n-]2)c1)C(C)C ZINC001588329415 1173031830 /nfs/dbraw/zinc/03/18/30/1173031830.db2.gz GCAFXUCJEIWUKV-SECBINFHSA-N -1 3 275.337 1.316 20 30 CDEDHM C=C[C@H](C(=O)[O-])N1CCC(OC)(C(F)(F)F)CC1 ZINC000659797124 414123959 /nfs/dbraw/zinc/12/39/59/414123959.db2.gz FSTBZUTVHYDKHU-MRVPVSSYSA-N -1 3 267.247 1.669 20 30 CDEDHM C=CC(C)(C)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588488618 1173069556 /nfs/dbraw/zinc/06/95/56/1173069556.db2.gz KGJDYGSQBCITKF-UHFFFAOYSA-N -1 3 286.339 1.631 20 30 CDEDHM C=CC(C)(C)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588488618 1173069562 /nfs/dbraw/zinc/06/95/62/1173069562.db2.gz KGJDYGSQBCITKF-UHFFFAOYSA-N -1 3 286.339 1.631 20 30 CDEDHM C=CCN(CC=C)C(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588632415 1173093665 /nfs/dbraw/zinc/09/36/65/1173093665.db2.gz XNNKMHWRAMTHRQ-UHFFFAOYSA-N -1 3 283.335 1.989 20 30 CDEDHM C=CCN(CC=C)C(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588632415 1173093673 /nfs/dbraw/zinc/09/36/73/1173093673.db2.gz XNNKMHWRAMTHRQ-UHFFFAOYSA-N -1 3 283.335 1.989 20 30 CDEDHM N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1ccncn1 ZINC000354479155 227010318 /nfs/dbraw/zinc/01/03/18/227010318.db2.gz WCKDBMIJXNNFBW-GFCCVEGCSA-N -1 3 292.298 1.851 20 30 CDEDHM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ncccc2[O-])cc1 ZINC000350860419 227136985 /nfs/dbraw/zinc/13/69/85/227136985.db2.gz FYLVVSQTRGAQCJ-CYBMUJFWSA-N -1 3 292.298 1.980 20 30 CDEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3c[nH]c(C#N)c3)nc1-2 ZINC000353633316 228135980 /nfs/dbraw/zinc/13/59/80/228135980.db2.gz WHPRRBTZFHEOBG-NSHDSACASA-N -1 3 290.286 1.956 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)/C=C/c1cncc([O-])c1 ZINC000179434958 260048284 /nfs/dbraw/zinc/04/82/84/260048284.db2.gz TZEOHDZDMBSBEK-ZWNMCFTASA-N -1 3 259.309 1.809 20 30 CDEDHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)c1 ZINC000290949645 263119444 /nfs/dbraw/zinc/11/94/44/263119444.db2.gz MPKHDDUBZHNLQK-ZDUSSCGKSA-N -1 3 296.396 1.510 20 30 CDEDHM Cc1ncc(CO)c(/C=N/C2CCSCC2)c1[O-] ZINC000299503928 263244175 /nfs/dbraw/zinc/24/41/75/263244175.db2.gz DOUMJSQATUVURL-VIZOYTHASA-N -1 3 266.366 1.902 20 30 CDEDHM C=CC[C@H](CO)CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000342178429 263393421 /nfs/dbraw/zinc/39/34/21/263393421.db2.gz JECJUJJSGGOOGJ-NSHDSACASA-N -1 3 292.335 1.265 20 30 CDEDHM Cc1ccc(C(=O)N(C)CCNC(=O)N(C)C)c([O-])c1 ZINC000331245241 264178516 /nfs/dbraw/zinc/17/85/16/264178516.db2.gz TVFXCXONKXGWFF-UHFFFAOYSA-N -1 3 279.340 1.248 20 30 CDEDHM CC(=O)c1ccc(C(=O)NC[C@]2(O)CCO[C@H]2C)cc1[O-] ZINC000331360539 264208906 /nfs/dbraw/zinc/20/89/06/264208906.db2.gz XXJRIDDSANQWQQ-ZUZCIYMTSA-N -1 3 293.319 1.439 20 30 CDEDHM C=C[C@H](CO)NC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000356850933 266190577 /nfs/dbraw/zinc/19/05/77/266190577.db2.gz SILLXFNKDDYOAY-SNVBAGLBSA-N -1 3 272.304 1.113 20 30 CDEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCF ZINC000127308219 279527966 /nfs/dbraw/zinc/52/79/66/279527966.db2.gz CEEMDMZCEWJFTB-UHFFFAOYSA-N -1 3 276.720 1.850 20 30 CDEDHM COC(=O)c1cc(C(=O)N(C)c2cccc(C#N)c2)c[n-]1 ZINC000555779166 290237673 /nfs/dbraw/zinc/23/76/73/290237673.db2.gz XRKDENBQXPEMLE-UHFFFAOYSA-N -1 3 283.287 1.950 20 30 CDEDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)C1 ZINC000235626699 299870892 /nfs/dbraw/zinc/87/08/92/299870892.db2.gz VODNCKCFXQODMY-WDEREUQCSA-N -1 3 279.365 1.810 20 30 CDEDHM CCN(CC#N)Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001590680163 1173488171 /nfs/dbraw/zinc/48/81/71/1173488171.db2.gz YLAZCMHAFXTCDK-UHFFFAOYSA-N -1 3 272.312 1.221 20 30 CDEDHM CCN(CC#N)Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001590680163 1173488177 /nfs/dbraw/zinc/48/81/77/1173488177.db2.gz YLAZCMHAFXTCDK-UHFFFAOYSA-N -1 3 272.312 1.221 20 30 CDEDHM COC(=O)C[C@H](C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001591270250 1173599245 /nfs/dbraw/zinc/59/92/45/1173599245.db2.gz OQCIVSPXSFXHSN-QMMMGPOBSA-N -1 3 286.295 1.102 20 30 CDEDHM COC(=O)C[C@H](C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001591270250 1173599251 /nfs/dbraw/zinc/59/92/51/1173599251.db2.gz OQCIVSPXSFXHSN-QMMMGPOBSA-N -1 3 286.295 1.102 20 30 CDEDHM CCOC(=O)c1cc(NC(=O)c2ccc(C#N)cn2)n[n-]1 ZINC000181753860 323247590 /nfs/dbraw/zinc/24/75/90/323247590.db2.gz GHSSVJZVVREMNB-UHFFFAOYSA-N -1 3 285.263 1.105 20 30 CDEDHM CCOC(=O)c1cc(NC(=O)c2ccc(C#N)cn2)[n-]n1 ZINC000181753860 323247594 /nfs/dbraw/zinc/24/75/94/323247594.db2.gz GHSSVJZVVREMNB-UHFFFAOYSA-N -1 3 285.263 1.105 20 30 CDEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000583488832 325184842 /nfs/dbraw/zinc/18/48/42/325184842.db2.gz LUOCFKWARGFJEW-OUAUKWLOSA-N -1 3 277.349 1.420 20 30 CDEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccon1 ZINC000583623444 328685664 /nfs/dbraw/zinc/68/56/64/328685664.db2.gz KTIBSSGGWZYKSX-SECBINFHSA-N -1 3 269.326 1.349 20 30 CDEDHM Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)[n-]c(=O)n1 ZINC000434449622 330639075 /nfs/dbraw/zinc/63/90/75/330639075.db2.gz FGWRYYLVTHQNPR-NSHDSACASA-N -1 3 274.324 1.645 20 30 CDEDHM C=C(C)CCNC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000452722987 331073984 /nfs/dbraw/zinc/07/39/84/331073984.db2.gz LVKIDPXZZJCJIP-UHFFFAOYSA-N -1 3 288.394 1.109 20 30 CDEDHM C#CC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000490841406 332119672 /nfs/dbraw/zinc/11/96/72/332119672.db2.gz UHSWGUZKIGUTMG-UHFFFAOYSA-N -1 3 292.129 1.500 20 30 CDEDHM C=C[C@H](C)O[N-]C(=O)CCCNC(=O)OC(C)(C)C ZINC000496299068 332545358 /nfs/dbraw/zinc/54/53/58/332545358.db2.gz AZNMLRYIDMEUOO-JTQLQIEISA-N -1 3 272.345 1.914 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000545877447 334003819 /nfs/dbraw/zinc/00/38/19/334003819.db2.gz NVWBXHYAEKWQQZ-JTQLQIEISA-N -1 3 278.308 1.831 20 30 CDEDHM C=CC[C@@H](C(=O)NCCc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000548306701 334150097 /nfs/dbraw/zinc/15/00/97/334150097.db2.gz IQTJAGBWPSNUAT-LSDHHAIUSA-N -1 3 299.374 1.975 20 30 CDEDHM COc1ccc(OC)c(-c2cc(C(=O)N[O-])no2)c1 ZINC000671995681 482474649 /nfs/dbraw/zinc/47/46/49/482474649.db2.gz LEFCNAWWPBWWMX-UHFFFAOYSA-N -1 3 264.237 1.478 20 30 CDEDHM C=C(C)CS(=O)(=O)[N-][C@H](CO)c1cc(F)ccc1F ZINC000684761827 482957070 /nfs/dbraw/zinc/95/70/70/482957070.db2.gz VEKGXWDWHNKSHS-GFCCVEGCSA-N -1 3 291.319 1.494 20 30 CDEDHM C=CCn1c(=O)[n-]nc1SCCn1ccccc1=O ZINC000675296403 483274783 /nfs/dbraw/zinc/27/47/83/483274783.db2.gz BDQSJEWJINRXOJ-UHFFFAOYSA-N -1 3 278.337 1.124 20 30 CDEDHM Cc1nnc([N-]C(=O)c2cnns2)n1C1CC1 ZINC000329079054 534868792 /nfs/dbraw/zinc/86/87/92/534868792.db2.gz QQPXMVLYCWHASD-UHFFFAOYSA-N -1 3 250.287 1.409 20 30 CDEDHM CO[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)CC(C)C ZINC000416647075 536513609 /nfs/dbraw/zinc/51/36/09/536513609.db2.gz MBDTUTQZHLGOFT-LLVKDONJSA-N -1 3 297.380 1.293 20 30 CDEDHM N#Cc1cnccc1CN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001601131886 1174757744 /nfs/dbraw/zinc/75/77/44/1174757744.db2.gz VRQKQZQLALJAQK-YUTCNCBUSA-N -1 3 271.320 1.638 20 30 CDEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN3CCC[C@@H]3C2)cc1 ZINC000739106131 574460931 /nfs/dbraw/zinc/46/09/31/574460931.db2.gz PZSZPHKCQQSKDV-CABCVRRESA-N -1 3 285.347 1.464 20 30 CDEDHM Cc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1C(N)=O ZINC000727265468 574558513 /nfs/dbraw/zinc/55/85/13/574558513.db2.gz QIEHTUIMXXCORX-UHFFFAOYSA-N -1 3 299.330 1.746 20 30 CDEDHM CC(C)[C@@H](C#N)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735689945 575502270 /nfs/dbraw/zinc/50/22/70/575502270.db2.gz FHPRSHMIODWDAJ-MRVPVSSYSA-N -1 3 276.325 1.206 20 30 CDEDHM CC(C)[C@@H](C#N)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735689945 575502273 /nfs/dbraw/zinc/50/22/73/575502273.db2.gz FHPRSHMIODWDAJ-MRVPVSSYSA-N -1 3 276.325 1.206 20 30 CDEDHM Cc1ncc(CO)c(C=NOC2CCCC2)c1[O-] ZINC000774608466 575219204 /nfs/dbraw/zinc/21/92/04/575219204.db2.gz NJAUMGYXISGDSI-UHFFFAOYSA-N -1 3 250.298 1.881 20 30 CDEDHM N#C[C@H]1CSCCN1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774641992 575223099 /nfs/dbraw/zinc/22/30/99/575223099.db2.gz DEECQEWZQHYEGJ-GXFFZTMASA-N -1 3 292.360 1.259 20 30 CDEDHM C#CCCOC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735374651 575460447 /nfs/dbraw/zinc/46/04/47/575460447.db2.gz LAWDWMFXIJDXHB-UHFFFAOYSA-N -1 3 270.292 1.366 20 30 CDEDHM C#CCCOC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735374651 575460448 /nfs/dbraw/zinc/46/04/48/575460448.db2.gz LAWDWMFXIJDXHB-UHFFFAOYSA-N -1 3 270.292 1.366 20 30 CDEDHM C#CCNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000735381766 575462095 /nfs/dbraw/zinc/46/20/95/575462095.db2.gz QREOAXYCQUQEMD-VIFPVBQESA-N -1 3 287.348 1.097 20 30 CDEDHM C#CCNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000735381766 575462096 /nfs/dbraw/zinc/46/20/96/575462096.db2.gz QREOAXYCQUQEMD-VIFPVBQESA-N -1 3 287.348 1.097 20 30 CDEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1ccoc1 ZINC000735399239 575463440 /nfs/dbraw/zinc/46/34/40/575463440.db2.gz JTUNJMPDWJFLER-UHFFFAOYSA-N -1 3 254.253 1.906 20 30 CDEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccoc1 ZINC000735399239 575463444 /nfs/dbraw/zinc/46/34/44/575463444.db2.gz JTUNJMPDWJFLER-UHFFFAOYSA-N -1 3 254.253 1.906 20 30 CDEDHM C=CCNC(=O)[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000735432252 575467988 /nfs/dbraw/zinc/46/79/88/575467988.db2.gz OWAZFNDOPLSEBD-SECBINFHSA-N -1 3 289.364 1.650 20 30 CDEDHM C=CCNC(=O)[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000735432252 575467990 /nfs/dbraw/zinc/46/79/90/575467990.db2.gz OWAZFNDOPLSEBD-SECBINFHSA-N -1 3 289.364 1.650 20 30 CDEDHM CC#CCN1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735449264 575468925 /nfs/dbraw/zinc/46/89/25/575468925.db2.gz OABBJPRBDPLWCA-UHFFFAOYSA-N -1 3 296.378 1.402 20 30 CDEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000735415893 575470258 /nfs/dbraw/zinc/47/02/58/575470258.db2.gz ALNXLRVUWRJNOO-VIFPVBQESA-N -1 3 288.311 1.181 20 30 CDEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735415893 575470260 /nfs/dbraw/zinc/47/02/60/575470260.db2.gz ALNXLRVUWRJNOO-VIFPVBQESA-N -1 3 288.311 1.181 20 30 CDEDHM O=C1CNC(=O)N1N=Cc1c([O-])ccc2ccccc21 ZINC000770616101 575474228 /nfs/dbraw/zinc/47/42/28/575474228.db2.gz KKUNDKMBHKCSHG-UHFFFAOYSA-N -1 3 269.260 1.431 20 30 CDEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000770393879 575483368 /nfs/dbraw/zinc/48/33/68/575483368.db2.gz USVOADZERAMLPK-JTQLQIEISA-N -1 3 285.340 1.915 20 30 CDEDHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](C#N)C1 ZINC000736198397 575587814 /nfs/dbraw/zinc/58/78/14/575587814.db2.gz HPKSNRYRUYUOJD-GXFFZTMASA-N -1 3 284.323 1.152 20 30 CDEDHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](C#N)C1 ZINC000736198397 575587816 /nfs/dbraw/zinc/58/78/16/575587816.db2.gz HPKSNRYRUYUOJD-GXFFZTMASA-N -1 3 284.323 1.152 20 30 CDEDHM C[C@H](C(=O)N1CCCCCC1)n1ccc(C=N[O-])nc1=O ZINC000736307107 575617628 /nfs/dbraw/zinc/61/76/28/575617628.db2.gz NZFPYGOVEMBRGT-LLVKDONJSA-N -1 3 292.339 1.015 20 30 CDEDHM CCCn1cc(C=NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736502912 575677922 /nfs/dbraw/zinc/67/79/22/575677922.db2.gz QOPVBNLVLZMZLN-UHFFFAOYSA-N -1 3 296.338 1.919 20 30 CDEDHM CCCn1cc(C=NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736502912 575677923 /nfs/dbraw/zinc/67/79/23/575677923.db2.gz QOPVBNLVLZMZLN-UHFFFAOYSA-N -1 3 296.338 1.919 20 30 CDEDHM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCCO1 ZINC000736810237 575755931 /nfs/dbraw/zinc/75/59/31/575755931.db2.gz SYVMWPWOJLEZAS-BXUZGUMPSA-N -1 3 274.320 1.795 20 30 CDEDHM Cn1c2ccccc2nc1C(C#N)C(=O)CCNC(=O)[O-] ZINC000739012873 576149212 /nfs/dbraw/zinc/14/92/12/576149212.db2.gz STSUSPCPTTYZOU-SECBINFHSA-N -1 3 286.291 1.407 20 30 CDEDHM CCOC(=O)C(C)(C)C([O-])=C(C#N)c1ccncn1 ZINC000760340788 576478045 /nfs/dbraw/zinc/47/80/45/576478045.db2.gz NZXZRKQZVZXIFP-VIFPVBQESA-N -1 3 261.281 1.242 20 30 CDEDHM Cc1ncc(CO)c(/C=N\C2COC(C)(C)OC2)c1[O-] ZINC000753996472 576872520 /nfs/dbraw/zinc/87/25/20/576872520.db2.gz UWKXOGNMCRNPTJ-BNCCVWRVSA-N -1 3 280.324 1.158 20 30 CDEDHM Cc1cccc(-c2n[nH]cc2C=NN2CC(=O)[N-]C2=O)c1 ZINC000755609813 576952018 /nfs/dbraw/zinc/95/20/18/576952018.db2.gz FDXMTWMZCYSXGS-UHFFFAOYSA-N -1 3 283.291 1.271 20 30 CDEDHM O=C1CN(N=Cc2nc(-c3ccccc3)cs2)C(=O)[N-]1 ZINC000755612977 576952073 /nfs/dbraw/zinc/95/20/73/576952073.db2.gz ZMYUITCEYIEZKG-UHFFFAOYSA-N -1 3 286.316 1.696 20 30 CDEDHM COCCC1N=NC(=S)N1N=Cc1ccc([O-])c(F)c1 ZINC000755752638 576958957 /nfs/dbraw/zinc/95/89/57/576958957.db2.gz AQHPSQOFXIFOKZ-UHFFFAOYSA-N -1 3 296.327 1.483 20 30 CDEDHM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(C)[nH]1 ZINC000822199135 607254407 /nfs/dbraw/zinc/25/44/07/607254407.db2.gz XNEUTCAQOWHDES-UHFFFAOYSA-N -1 3 295.350 1.935 20 30 CDEDHM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(C)[nH]1 ZINC000822199135 607254408 /nfs/dbraw/zinc/25/44/08/607254408.db2.gz XNEUTCAQOWHDES-UHFFFAOYSA-N -1 3 295.350 1.935 20 30 CDEDHM C[C@@H](C#N)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819854231 607323198 /nfs/dbraw/zinc/32/31/98/607323198.db2.gz BDDJZTZAZHYCFM-FGEFZZPRSA-N -1 3 283.291 1.583 20 30 CDEDHM C[C@@H](C#N)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819854231 607323199 /nfs/dbraw/zinc/32/31/99/607323199.db2.gz BDDJZTZAZHYCFM-FGEFZZPRSA-N -1 3 283.291 1.583 20 30 CDEDHM C[C@H](CC#N)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000701298110 598752365 /nfs/dbraw/zinc/75/23/65/598752365.db2.gz MBESFYOTMMHXRL-SECBINFHSA-N -1 3 270.296 1.241 20 30 CDEDHM C[C@H](CC#N)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000701298110 598752366 /nfs/dbraw/zinc/75/23/66/598752366.db2.gz MBESFYOTMMHXRL-SECBINFHSA-N -1 3 270.296 1.241 20 30 CDEDHM COc1ccc(C=NN[C@@H](C)CC#N)cc1-c1nnn[n-]1 ZINC000821787493 607374631 /nfs/dbraw/zinc/37/46/31/607374631.db2.gz UOIMREMDYSZDDT-VIFPVBQESA-N -1 3 285.311 1.101 20 30 CDEDHM COc1ccc(C=NN[C@@H](C)CC#N)cc1-c1nn[n-]n1 ZINC000821787493 607374633 /nfs/dbraw/zinc/37/46/33/607374633.db2.gz UOIMREMDYSZDDT-VIFPVBQESA-N -1 3 285.311 1.101 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCCC#N ZINC000826252132 607384830 /nfs/dbraw/zinc/38/48/30/607384830.db2.gz QHLUULXYIOIJPL-UHFFFAOYSA-N -1 3 271.280 1.636 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCCC#N ZINC000826252132 607384832 /nfs/dbraw/zinc/38/48/32/607384832.db2.gz QHLUULXYIOIJPL-UHFFFAOYSA-N -1 3 271.280 1.636 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OC[C@H](C)C#N ZINC000826251831 607402992 /nfs/dbraw/zinc/40/29/92/607402992.db2.gz CJAGIGCVIUCDDG-MRVPVSSYSA-N -1 3 271.280 1.492 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OC[C@H](C)C#N ZINC000826251831 607402993 /nfs/dbraw/zinc/40/29/93/607402993.db2.gz CJAGIGCVIUCDDG-MRVPVSSYSA-N -1 3 271.280 1.492 20 30 CDEDHM C#C[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001602696313 1175360186 /nfs/dbraw/zinc/36/01/86/1175360186.db2.gz HSFRZYRHMIPVOW-JTQLQIEISA-N 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CCHAIXZBRLWMBB-JTQLQIEISA-N -1 3 288.307 1.674 20 30 CDEDHM C=CCOCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819750284 606345324 /nfs/dbraw/zinc/34/53/24/606345324.db2.gz CCHAIXZBRLWMBB-JTQLQIEISA-N -1 3 288.307 1.674 20 30 CDEDHM N#CCCCCNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822806608 606550931 /nfs/dbraw/zinc/55/09/31/606550931.db2.gz QFUMMUUHOCMIRX-UHFFFAOYSA-N -1 3 284.323 1.219 20 30 CDEDHM N#CCCCCNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822806608 606550932 /nfs/dbraw/zinc/55/09/32/606550932.db2.gz QFUMMUUHOCMIRX-UHFFFAOYSA-N -1 3 284.323 1.219 20 30 CDEDHM C=C(C)COCCNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000164169983 606803750 /nfs/dbraw/zinc/80/37/50/606803750.db2.gz UDBHTXQCXJRSNI-UHFFFAOYSA-N -1 3 287.323 1.189 20 30 CDEDHM C=C(C)COCCNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000164169983 606803753 /nfs/dbraw/zinc/80/37/53/606803753.db2.gz UDBHTXQCXJRSNI-UHFFFAOYSA-N -1 3 287.323 1.189 20 30 CDEDHM C=C[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819729636 606833728 /nfs/dbraw/zinc/83/37/28/606833728.db2.gz JVNDECDSFBICGT-SSDOTTSWSA-N -1 3 276.275 1.702 20 30 CDEDHM C=C[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819729636 606833730 /nfs/dbraw/zinc/83/37/30/606833730.db2.gz JVNDECDSFBICGT-SSDOTTSWSA-N -1 3 276.275 1.702 20 30 CDEDHM C#CCN(CC#C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819697823 606977811 /nfs/dbraw/zinc/97/78/11/606977811.db2.gz LNYFFBKTZSAAID-UHFFFAOYSA-N -1 3 269.283 1.074 20 30 CDEDHM C#CCN(CC#C)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819697823 606977812 /nfs/dbraw/zinc/97/78/12/606977812.db2.gz LNYFFBKTZSAAID-UHFFFAOYSA-N -1 3 269.283 1.074 20 30 CDEDHM CC(C)(C#N)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819891872 607078356 /nfs/dbraw/zinc/07/83/56/607078356.db2.gz JJULQRFLZWEOOY-UHFFFAOYSA-N -1 3 289.270 1.599 20 30 CDEDHM CC(C)(C#N)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819891872 607078357 /nfs/dbraw/zinc/07/83/57/607078357.db2.gz JJULQRFLZWEOOY-UHFFFAOYSA-N -1 3 289.270 1.599 20 30 CDEDHM C[C@H](C#N)CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824035319 607824195 /nfs/dbraw/zinc/82/41/95/607824195.db2.gz WWZCMQPOUKVFLL-SNVBAGLBSA-N -1 3 296.334 1.631 20 30 CDEDHM C[C@H](C#N)CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824035319 607824196 /nfs/dbraw/zinc/82/41/96/607824196.db2.gz WWZCMQPOUKVFLL-SNVBAGLBSA-N -1 3 296.334 1.631 20 30 CDEDHM C=CCCOC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001602841464 1175428444 /nfs/dbraw/zinc/42/84/44/1175428444.db2.gz YEZGNMRVAUSOGJ-UHFFFAOYSA-N -1 3 274.280 1.365 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1CN(C)[C@H](C)CC#N ZINC000826167490 608368488 /nfs/dbraw/zinc/36/84/88/608368488.db2.gz GPWKBFLTHGTDDP-SNVBAGLBSA-N -1 3 286.339 1.609 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1CN(C)[C@H](C)CC#N ZINC000826167490 608368490 /nfs/dbraw/zinc/36/84/90/608368490.db2.gz GPWKBFLTHGTDDP-SNVBAGLBSA-N -1 3 286.339 1.609 20 30 CDEDHM C[C@H](C#N)CN(C)Cc1cccc(-c2nnn[n-]2)c1F ZINC000824034398 608389734 /nfs/dbraw/zinc/38/97/34/608389734.db2.gz JEISQTASYIIKQI-SECBINFHSA-N -1 3 274.303 1.597 20 30 CDEDHM C[C@H](C#N)CN(C)Cc1cccc(-c2nn[n-]n2)c1F ZINC000824034398 608389735 /nfs/dbraw/zinc/38/97/35/608389735.db2.gz JEISQTASYIIKQI-SECBINFHSA-N -1 3 274.303 1.597 20 30 CDEDHM C=CC[C@@H](CO)CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000823888760 608411261 /nfs/dbraw/zinc/41/12/61/608411261.db2.gz VQMJUIJDRNWNOJ-LLVKDONJSA-N -1 3 288.355 1.475 20 30 CDEDHM C=CC[C@@H](CO)CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000823888760 608411263 /nfs/dbraw/zinc/41/12/63/608411263.db2.gz VQMJUIJDRNWNOJ-LLVKDONJSA-N -1 3 288.355 1.475 20 30 CDEDHM N#CC1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826381055 608655656 /nfs/dbraw/zinc/65/56/56/608655656.db2.gz VWGKCODEGSHTNH-UHFFFAOYSA-N -1 3 274.353 1.664 20 30 CDEDHM C=C(C)CN(C)c1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000823877619 609318055 /nfs/dbraw/zinc/31/80/55/609318055.db2.gz BQQPBAJCMIHIFQ-UHFFFAOYSA-N -1 3 259.317 1.286 20 30 CDEDHM C=C(C)CN(C)c1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000823877619 609318056 /nfs/dbraw/zinc/31/80/56/609318056.db2.gz BQQPBAJCMIHIFQ-UHFFFAOYSA-N -1 3 259.317 1.286 20 30 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/nfs/dbraw/zinc/14/77/89/1163147789.db2.gz HMKWLZIQOFLYGF-UHFFFAOYSA-N -1 3 292.318 1.044 20 30 CDEDHM C[C@@]1(CS(=O)(=O)[N-]CC#N)CC1(Cl)Cl ZINC000826719428 1161939878 /nfs/dbraw/zinc/93/98/78/1161939878.db2.gz KREKVNWTNDWXBG-LURJTMIESA-N -1 3 257.142 1.013 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)CC1(C#N)CC1 ZINC001605169284 1163476591 /nfs/dbraw/zinc/47/65/91/1163476591.db2.gz BNWCUTJDZRLVKC-UHFFFAOYSA-N -1 3 298.306 1.508 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)CC1(C#N)CC1 ZINC001605169284 1163476595 /nfs/dbraw/zinc/47/65/95/1163476595.db2.gz BNWCUTJDZRLVKC-UHFFFAOYSA-N -1 3 298.306 1.508 20 30 CDEDHM Cc1c(NC(=O)NCCC#N)cccc1-c1nnn[n-]1 ZINC001605497142 1163586654 /nfs/dbraw/zinc/58/66/54/1163586654.db2.gz UWUNBSKSIZFHFG-UHFFFAOYSA-N -1 3 271.284 1.210 20 30 CDEDHM Cc1c(NC(=O)NCCC#N)cccc1-c1nn[n-]n1 ZINC001605497142 1163586656 /nfs/dbraw/zinc/58/66/56/1163586656.db2.gz UWUNBSKSIZFHFG-UHFFFAOYSA-N -1 3 271.284 1.210 20 30 CDEDHM Cc1nc(C#N)cc(Sc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001606023931 1163749911 /nfs/dbraw/zinc/74/99/11/1163749911.db2.gz OAGJFWMSCDDFPI-UHFFFAOYSA-N -1 3 295.331 1.988 20 30 CDEDHM Cc1nc(C#N)cc(Sc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001606023931 1163749916 /nfs/dbraw/zinc/74/99/16/1163749916.db2.gz OAGJFWMSCDDFPI-UHFFFAOYSA-N -1 3 295.331 1.988 20 30 CDEDHM CN(Cc1ccc(C#N)cc1)C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001606148888 1163789333 /nfs/dbraw/zinc/78/93/33/1163789333.db2.gz VOBSOHHOQZBTAS-NWDGAFQWSA-N -1 3 280.274 1.956 20 30 CDEDHM N#CCNC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001606350229 1163874416 /nfs/dbraw/zinc/87/44/16/1163874416.db2.gz RSEDJIJFZBLIHK-UHFFFAOYSA-N -1 3 254.297 1.359 20 30 CDEDHM N#CCNC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001606350229 1163874420 /nfs/dbraw/zinc/87/44/20/1163874420.db2.gz RSEDJIJFZBLIHK-UHFFFAOYSA-N -1 3 254.297 1.359 20 30 CDEDHM N#Cc1cccc(NC(=O)c2cc(-c3nnn[n-]3)ccn2)c1 ZINC001606381552 1163884303 /nfs/dbraw/zinc/88/43/03/1163884303.db2.gz CLOFOQILBLMASK-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM N#Cc1cccc(NC(=O)c2cc(-c3nn[n-]n3)ccn2)c1 ZINC001606381552 1163884307 /nfs/dbraw/zinc/88/43/07/1163884307.db2.gz CLOFOQILBLMASK-UHFFFAOYSA-N -1 3 291.274 1.386 20 30 CDEDHM O=C(C=Cc1cncnc1)c1ccccc1-c1nnn[n-]1 ZINC001606487626 1163913200 /nfs/dbraw/zinc/91/32/00/1163913200.db2.gz VWUPFMIECMVFIJ-WAYWQWQTSA-N -1 3 278.275 1.553 20 30 CDEDHM O=C(C=Cc1cncnc1)c1ccccc1-c1nn[n-]n1 ZINC001606487626 1163913204 /nfs/dbraw/zinc/91/32/04/1163913204.db2.gz VWUPFMIECMVFIJ-WAYWQWQTSA-N -1 3 278.275 1.553 20 30 CDEDHM N#Cc1c(CN[C@H](CO)C2CCC2)cccc1C(=O)[O-] ZINC001608191054 1164444892 /nfs/dbraw/zinc/44/48/92/1164444892.db2.gz NZIXBRRZKWOBEZ-CQSZACIVSA-N -1 3 274.320 1.507 20 30 CDEDHM C#C[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609018878 1164725214 /nfs/dbraw/zinc/72/52/14/1164725214.db2.gz IKIFTVMNRALVJN-SSDOTTSWSA-N -1 3 274.259 1.149 20 30 CDEDHM C#C[C@@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609018878 1164725221 /nfs/dbraw/zinc/72/52/21/1164725221.db2.gz IKIFTVMNRALVJN-SSDOTTSWSA-N -1 3 274.259 1.149 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001609019521 1164726115 /nfs/dbraw/zinc/72/61/15/1164726115.db2.gz WGHNLZCEFYTGAT-SECBINFHSA-N -1 3 289.726 1.662 20 30 CDEDHM C#C[C@H](CC)NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001609019521 1164726120 /nfs/dbraw/zinc/72/61/20/1164726120.db2.gz WGHNLZCEFYTGAT-SECBINFHSA-N -1 3 289.726 1.662 20 30 CDEDHM C=C(C)CCNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609050821 1164743425 /nfs/dbraw/zinc/74/34/25/1164743425.db2.gz CXQIZNZVKSNHER-UHFFFAOYSA-N -1 3 271.324 1.492 20 30 CDEDHM C=CC[C@H](C)NC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609052454 1164745661 /nfs/dbraw/zinc/74/56/61/1164745661.db2.gz CSVYKQAHHMWGRQ-JTQLQIEISA-N -1 3 271.324 1.870 20 30 CDEDHM C=CC[C@H](C)NC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609052454 1164745668 /nfs/dbraw/zinc/74/56/68/1164745668.db2.gz CSVYKQAHHMWGRQ-JTQLQIEISA-N -1 3 271.324 1.870 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1coc(C#N)c1 ZINC001581137264 1172590061 /nfs/dbraw/zinc/59/00/61/1172590061.db2.gz YSADHDOMOSAVCH-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1coc(C#N)c1 ZINC001581137264 1172590063 /nfs/dbraw/zinc/59/00/63/1172590063.db2.gz YSADHDOMOSAVCH-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM C#C[C@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)C1CCOCC1 ZINC001588328730 1173030319 /nfs/dbraw/zinc/03/03/19/1173030319.db2.gz PAWJJHNULRYWCZ-ZDUSSCGKSA-N -1 3 298.350 1.410 20 30 CDEDHM C#C[C@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)C1CCOCC1 ZINC001588328730 1173030323 /nfs/dbraw/zinc/03/03/23/1173030323.db2.gz PAWJJHNULRYWCZ-ZDUSSCGKSA-N -1 3 298.350 1.410 20 30 CDEDHM C#CC1CCN(c2nc(-c3nnn[n-]3)ccc2C)CC1 ZINC001588330933 1173033430 /nfs/dbraw/zinc/03/34/30/1173033430.db2.gz MCRVDIVPRAHDJI-UHFFFAOYSA-N -1 3 268.324 1.420 20 30 CDEDHM C#C[C@H]1CCCCN1c1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001588332164 1173034845 /nfs/dbraw/zinc/03/48/45/1173034845.db2.gz GWZDMKYBSWLIBW-LBPRGKRZSA-N -1 3 282.351 1.871 20 30 CDEDHM C#C[C@H]1CCCCN1c1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001588332164 1173034850 /nfs/dbraw/zinc/03/48/50/1173034850.db2.gz GWZDMKYBSWLIBW-LBPRGKRZSA-N -1 3 282.351 1.871 20 30 CDEDHM C#CCCCNc1ccc(-c2nn[n-]n2)cc1CO ZINC001588345440 1173042746 /nfs/dbraw/zinc/04/27/46/1173042746.db2.gz HAMDGAGOJZUBCS-UHFFFAOYSA-N -1 3 257.297 1.184 20 30 CDEDHM C#CCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588340851 1173042848 /nfs/dbraw/zinc/04/28/48/1173042848.db2.gz IYJYXDGFENLEGY-UHFFFAOYSA-N -1 3 273.271 1.748 20 30 CDEDHM C#CCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588340851 1173042858 /nfs/dbraw/zinc/04/28/58/1173042858.db2.gz IYJYXDGFENLEGY-UHFFFAOYSA-N -1 3 273.271 1.748 20 30 CDEDHM C#CCCCNC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588345794 1173044404 /nfs/dbraw/zinc/04/44/04/1173044404.db2.gz RMONJMRHTGSKTL-UHFFFAOYSA-N -1 3 273.271 1.149 20 30 CDEDHM C#CCCCNC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588345794 1173044410 /nfs/dbraw/zinc/04/44/10/1173044410.db2.gz RMONJMRHTGSKTL-UHFFFAOYSA-N -1 3 273.271 1.149 20 30 CDEDHM C#CCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588341123 1173044797 /nfs/dbraw/zinc/04/47/97/1173044797.db2.gz YHTJGQMUDQTYIL-UHFFFAOYSA-N -1 3 285.307 1.617 20 30 CDEDHM C#CCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588341123 1173044803 /nfs/dbraw/zinc/04/48/03/1173044803.db2.gz YHTJGQMUDQTYIL-UHFFFAOYSA-N -1 3 285.307 1.617 20 30 CDEDHM C#CCOC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588358894 1173053790 /nfs/dbraw/zinc/05/37/90/1173053790.db2.gz WHTVVQGDKBCMQI-UHFFFAOYSA-N -1 3 262.656 1.310 20 30 CDEDHM C#CCOC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588358894 1173053794 /nfs/dbraw/zinc/05/37/94/1173053794.db2.gz WHTVVQGDKBCMQI-UHFFFAOYSA-N -1 3 262.656 1.310 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001588564429 1173083508 /nfs/dbraw/zinc/08/35/08/1173083508.db2.gz NHODEDKHAUGJRT-VIFPVBQESA-N -1 3 275.337 1.719 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001588564429 1173083513 /nfs/dbraw/zinc/08/35/13/1173083513.db2.gz NHODEDKHAUGJRT-VIFPVBQESA-N -1 3 275.337 1.719 20 30 CDEDHM C=CCCOCC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588617136 1173087914 /nfs/dbraw/zinc/08/79/14/1173087914.db2.gz RJHPJFOKCIIVPU-UHFFFAOYSA-N -1 3 299.334 1.349 20 30 CDEDHM C=CCCOCC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588617136 1173087920 /nfs/dbraw/zinc/08/79/20/1173087920.db2.gz RJHPJFOKCIIVPU-UHFFFAOYSA-N -1 3 299.334 1.349 20 30 CDEDHM C=CCN(CCC#N)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588631387 1173091748 /nfs/dbraw/zinc/09/17/48/1173091748.db2.gz CHJVKQCGQDABPX-UHFFFAOYSA-N -1 3 296.334 1.337 20 30 CDEDHM C=CCN(CCC#N)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588631387 1173091754 /nfs/dbraw/zinc/09/17/54/1173091754.db2.gz CHJVKQCGQDABPX-UHFFFAOYSA-N -1 3 296.334 1.337 20 30 CDEDHM C=CCOC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001588665216 1173097376 /nfs/dbraw/zinc/09/73/76/1173097376.db2.gz HRNMNRFMLQQEIH-UHFFFAOYSA-N -1 3 297.274 1.865 20 30 CDEDHM C=CCOC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588665216 1173097384 /nfs/dbraw/zinc/09/73/84/1173097384.db2.gz HRNMNRFMLQQEIH-UHFFFAOYSA-N -1 3 297.274 1.865 20 30 CDEDHM C[C@@H](CC#N)N(C)C(=O)c1cscc1-c1nnn[n-]1 ZINC001589786749 1173179603 /nfs/dbraw/zinc/17/96/03/1173179603.db2.gz BQGZIHPFKZNWPI-ZETCQYMHSA-N -1 3 276.325 1.302 20 30 CDEDHM C[C@@H](CC#N)N(C)C(=O)c1cscc1-c1nn[n-]n1 ZINC001589786749 1173179606 /nfs/dbraw/zinc/17/96/06/1173179606.db2.gz BQGZIHPFKZNWPI-ZETCQYMHSA-N -1 3 276.325 1.302 20 30 CDEDHM C[C@@H](CC#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589788074 1173180722 /nfs/dbraw/zinc/18/07/22/1173180722.db2.gz SXOIPKZZMIQQKM-FGEFZZPRSA-N -1 3 282.307 1.298 20 30 CDEDHM C[C@@H](CC#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589788074 1173180727 /nfs/dbraw/zinc/18/07/27/1173180727.db2.gz SXOIPKZZMIQQKM-FGEFZZPRSA-N -1 3 282.307 1.298 20 30 CDEDHM CC1(C)C[C@]1(C#N)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590085359 1173251584 /nfs/dbraw/zinc/25/15/84/1173251584.db2.gz OXLXANKBFMNUPJ-OAHLLOKOSA-N -1 3 296.334 1.218 20 30 CDEDHM CC1(C)C[C@]1(C#N)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590085359 1173251591 /nfs/dbraw/zinc/25/15/91/1173251591.db2.gz OXLXANKBFMNUPJ-OAHLLOKOSA-N -1 3 296.334 1.218 20 30 CDEDHM C[C@H]1OCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC001590340119 1173368193 /nfs/dbraw/zinc/36/81/93/1173368193.db2.gz YQPCXVDJCZIOGT-VHSXEESVSA-N -1 3 286.339 1.367 20 30 CDEDHM C[C@H]1OCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC001590340119 1173368199 /nfs/dbraw/zinc/36/81/99/1173368199.db2.gz YQPCXVDJCZIOGT-VHSXEESVSA-N -1 3 286.339 1.367 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590371498 1173381721 /nfs/dbraw/zinc/38/17/21/1173381721.db2.gz BQSBZPXWDVJCDA-ZDUSSCGKSA-N -1 3 288.286 1.884 20 30 CDEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590371498 1173381725 /nfs/dbraw/zinc/38/17/25/1173381725.db2.gz BQSBZPXWDVJCDA-ZDUSSCGKSA-N -1 3 288.286 1.884 20 30 CDEDHM CC[C@](C)(O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590385545 1173385760 /nfs/dbraw/zinc/38/57/60/1173385760.db2.gz WLBTVFORHAHSOL-ZDUSSCGKSA-N -1 3 272.312 1.311 20 30 CDEDHM CC[C@](C)(O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590385545 1173385764 /nfs/dbraw/zinc/38/57/64/1173385764.db2.gz WLBTVFORHAHSOL-ZDUSSCGKSA-N -1 3 272.312 1.311 20 30 CDEDHM CC[C@H](CC#N)NC(=O)c1sccc1-c1nnn[n-]1 ZINC001590420581 1173402189 /nfs/dbraw/zinc/40/21/89/1173402189.db2.gz ZQKPABBGMCTAIE-SSDOTTSWSA-N -1 3 276.325 1.350 20 30 CDEDHM CC[C@H](CC#N)NC(=O)c1sccc1-c1nn[n-]n1 ZINC001590420581 1173402193 /nfs/dbraw/zinc/40/21/93/1173402193.db2.gz ZQKPABBGMCTAIE-SSDOTTSWSA-N -1 3 276.325 1.350 20 30 CDEDHM CCC[C@H](C#N)NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001590538296 1173454997 /nfs/dbraw/zinc/45/49/97/1173454997.db2.gz DKQDJQOLVHBHEU-SNVBAGLBSA-N -1 3 284.323 1.597 20 30 CDEDHM CCC[C@H](C#N)NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001590538296 1173455000 /nfs/dbraw/zinc/45/50/00/1173455000.db2.gz DKQDJQOLVHBHEU-SNVBAGLBSA-N -1 3 284.323 1.597 20 30 CDEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[C@@H]1C#N ZINC001591144250 1173578627 /nfs/dbraw/zinc/57/86/27/1173578627.db2.gz OPLOKTPHKIIDPG-ZIAGYGMSSA-N -1 3 282.351 1.991 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC001591780430 1173701402 /nfs/dbraw/zinc/70/14/02/1173701402.db2.gz YERFJBQXRYTVSB-CABZTGNLSA-N -1 3 299.338 1.268 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC001591780430 1173701407 /nfs/dbraw/zinc/70/14/07/1173701407.db2.gz YERFJBQXRYTVSB-CABZTGNLSA-N -1 3 299.338 1.268 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)NCCC#N ZINC001591842103 1173715153 /nfs/dbraw/zinc/71/51/53/1173715153.db2.gz IRKWGHTYPWUXIJ-UHFFFAOYSA-N -1 3 284.323 1.056 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)NCCC#N ZINC001591842103 1173715162 /nfs/dbraw/zinc/71/51/62/1173715162.db2.gz IRKWGHTYPWUXIJ-UHFFFAOYSA-N -1 3 284.323 1.056 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(N(C)CC(C)(C)C#N)n1 ZINC001591853390 1173716927 /nfs/dbraw/zinc/71/69/27/1173716927.db2.gz LNCAODXDSILPRL-UHFFFAOYSA-N -1 3 271.328 1.556 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(N(C)CC(C)(C)C#N)n1 ZINC001591853390 1173716930 /nfs/dbraw/zinc/71/69/30/1173716930.db2.gz 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TYNCITKFRZWFIR-MRVPVSSYSA-N -1 3 258.730 1.671 20 30 CDEDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C)on1 ZINC000077387468 177262175 /nfs/dbraw/zinc/26/21/75/177262175.db2.gz IMQVNADWAOYEIC-UHFFFAOYSA-N -1 3 291.332 1.642 20 30 CDEDHM CC(C)(CC#N)CNc1ccc(-c2nn[n-]n2)cc1CO ZINC001589267121 1173131842 /nfs/dbraw/zinc/13/18/42/1173131842.db2.gz IIBLAACFZPTCPV-UHFFFAOYSA-N -1 3 286.339 1.711 20 30 CDEDHM [O-]C(NC1=NCCS1)=C1CCOc2ccccc21 ZINC000078472346 260300149 /nfs/dbraw/zinc/30/01/49/260300149.db2.gz QQAMSZCLXFURKN-SNVBAGLBSA-N -1 3 262.334 1.772 20 30 CDEDHM C[C@@H](C#N)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000335711953 262158228 /nfs/dbraw/zinc/15/82/28/262158228.db2.gz UUBQDXVTQUANBX-ZETCQYMHSA-N -1 3 283.125 1.931 20 30 CDEDHM COCCCO[N-]C(=O)Nc1ccc(CC#N)cc1 ZINC000287162364 263101122 /nfs/dbraw/zinc/10/11/22/263101122.db2.gz UACGPYIZNDMBBK-UHFFFAOYSA-N -1 3 263.297 1.842 20 30 CDEDHM Cc1ncc(CO)c(/C=N/CC2=CCCOC2)c1[O-] ZINC000287365136 263101772 /nfs/dbraw/zinc/10/17/72/263101772.db2.gz YRDSUBWFPUUOMT-VIZOYTHASA-N -1 3 262.309 1.354 20 30 CDEDHM CO[C@@](C)(C/N=C/c1c([O-])c(C)ncc1CO)C1CC1 ZINC000290958698 263119336 /nfs/dbraw/zinc/11/93/36/263119336.db2.gz NCNZYKCCGGVGAG-PLWLOYALSA-N -1 3 278.352 1.822 20 30 CDEDHM N#CCCCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000292729988 263134543 /nfs/dbraw/zinc/13/45/43/263134543.db2.gz UNOFBQJUGNLHQL-UHFFFAOYSA-N -1 3 256.269 1.499 20 30 CDEDHM N#CCCCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000292729988 263134544 /nfs/dbraw/zinc/13/45/44/263134544.db2.gz UNOFBQJUGNLHQL-UHFFFAOYSA-N -1 3 256.269 1.499 20 30 CDEDHM N#CCCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000292729988 263134545 /nfs/dbraw/zinc/13/45/45/263134545.db2.gz UNOFBQJUGNLHQL-UHFFFAOYSA-N -1 3 256.269 1.499 20 30 CDEDHM CCOC(=O)CCC/N=C/c1ccc(O)c([O-])c1O ZINC000299268508 263236652 /nfs/dbraw/zinc/23/66/52/263236652.db2.gz KRHDNFCFCFBIRK-RIYZIHGNSA-N -1 3 267.281 1.566 20 30 CDEDHM C=CCCS(=O)(=O)[N-][C@@H](COC)c1ccc(C)o1 ZINC000121185873 263291053 /nfs/dbraw/zinc/29/10/53/263291053.db2.gz CYONNELDXBTGNB-NSHDSACASA-N -1 3 273.354 1.771 20 30 CDEDHM Cc1nc(C)c(CCC(=O)N[C@H]2CCC[C@H]2C#N)c(=O)[n-]1 ZINC000331084669 264118155 /nfs/dbraw/zinc/11/81/55/264118155.db2.gz CETQGUPWANNZBY-AAEUAGOBSA-N -1 3 288.351 1.540 20 30 CDEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000491672371 269983349 /nfs/dbraw/zinc/98/33/49/269983349.db2.gz YLYTVXFZPFIWTD-NSHDSACASA-N -1 3 282.752 1.902 20 30 CDEDHM CC#CCC[N-]S(=O)(=O)c1cccc(OC)c1F ZINC000655551767 423950952 /nfs/dbraw/zinc/95/09/52/423950952.db2.gz DQKQPYRMTVIBEP-UHFFFAOYSA-N -1 3 271.313 1.526 20 30 CDEDHM C=CCC[C@@H](O)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652471228 424468960 /nfs/dbraw/zinc/46/89/60/424468960.db2.gz XFLROZCUDBQSEA-HIFRSBDPSA-N -1 3 275.348 1.998 20 30 CDEDHM C#CCO[N-]C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000291076064 276788340 /nfs/dbraw/zinc/78/83/40/276788340.db2.gz MPKBBORODDEWHK-DTWKUNHWSA-N -1 3 251.232 1.749 20 30 CDEDHM CC[C@H](CC#N)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001590419186 1173402738 /nfs/dbraw/zinc/40/27/38/1173402738.db2.gz FNUHJMWSBCCOBU-MRVPVSSYSA-N -1 3 260.257 1.044 20 30 CDEDHM CC[C@H](CC#N)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001590419186 1173402741 /nfs/dbraw/zinc/40/27/41/1173402741.db2.gz FNUHJMWSBCCOBU-MRVPVSSYSA-N -1 3 260.257 1.044 20 30 CDEDHM CC(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000150998798 289079497 /nfs/dbraw/zinc/07/94/97/289079497.db2.gz YBKYWZXFLISRLO-UHFFFAOYSA-N -1 3 256.302 1.632 20 30 CDEDHM Cn1cccc([N-]C(=O)c2c(F)cc(C#N)cc2F)c1=O ZINC000151309056 289088221 /nfs/dbraw/zinc/08/82/21/289088221.db2.gz GQWSBDJMILSATF-UHFFFAOYSA-N -1 3 289.241 1.787 20 30 CDEDHM CCC[C@H](C)CCCn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001590550769 1173458520 /nfs/dbraw/zinc/45/85/20/1173458520.db2.gz ZKJMWMDYJONJEX-VIFPVBQESA-N -1 3 288.359 1.733 20 30 CDEDHM CCC[C@H](C)CCCn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001590550769 1173458524 /nfs/dbraw/zinc/45/85/24/1173458524.db2.gz ZKJMWMDYJONJEX-VIFPVBQESA-N -1 3 288.359 1.733 20 30 CDEDHM N#Cc1ccnc(N2CCc3c(=O)[n-]cnc3C2)c1Cl ZINC000561268722 293073054 /nfs/dbraw/zinc/07/30/54/293073054.db2.gz UDASXQATRVYPIK-UHFFFAOYSA-N -1 3 287.710 1.665 20 30 CDEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1F)[C@@H](C)C#N ZINC001590674606 1173487325 /nfs/dbraw/zinc/48/73/25/1173487325.db2.gz MDYQQQHIWSTMNQ-QMMMGPOBSA-N -1 3 288.286 1.380 20 30 CDEDHM CCS(=O)(=O)C[C@H](C)/N=C/c1ccc(O)c([O-])c1O ZINC000264940486 328163162 /nfs/dbraw/zinc/16/31/62/328163162.db2.gz SUIUIGBIUQCTGI-UVDXRHSJSA-N -1 3 287.337 1.046 20 30 CDEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000414441590 328170270 /nfs/dbraw/zinc/17/02/70/328170270.db2.gz JQJRJFSEHCAPHA-VIFPVBQESA-N -1 3 270.358 1.124 20 30 CDEDHM C[C@@H](/N=C/c1ccc(O)c([O-])c1O)c1ncnn1C ZINC000276470209 328218555 /nfs/dbraw/zinc/21/85/55/328218555.db2.gz QGHOSSRWEPPCOA-MOLHFAFQSA-N -1 3 262.269 1.112 20 30 CDEDHM Cc1ccnc(NCC2(CC#N)CC2)c1-c1nnn[n-]1 ZINC001592275874 1173842976 /nfs/dbraw/zinc/84/29/76/1173842976.db2.gz VQQNXQLSXNCMDM-UHFFFAOYSA-N -1 3 269.312 1.676 20 30 CDEDHM Cc1ccnc(NCC2(CC#N)CC2)c1-c1nn[n-]n1 ZINC001592275874 1173842980 /nfs/dbraw/zinc/84/29/80/1173842980.db2.gz VQQNXQLSXNCMDM-UHFFFAOYSA-N -1 3 269.312 1.676 20 30 CDEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1n[n-]c(CO)n1 ZINC000584031718 326864920 /nfs/dbraw/zinc/86/49/20/326864920.db2.gz FCPGAXWDEMFUOS-SECBINFHSA-N -1 3 284.385 1.202 20 30 CDEDHM Cn1c(SCc2ccc(CC#N)cc2)n[n-]c1=O ZINC000342520067 327027085 /nfs/dbraw/zinc/02/70/85/327027085.db2.gz YXMVFNVOYFFMDU-UHFFFAOYSA-N -1 3 260.322 1.879 20 30 CDEDHM C#CCN(C)CCCNC(=O)NCC(CC)(CC)C(=O)[O-] ZINC000328093567 330311162 /nfs/dbraw/zinc/31/11/62/330311162.db2.gz JHIGQAKLFJZJNC-UHFFFAOYSA-N -1 3 297.399 1.132 20 30 CDEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000123184644 330453558 /nfs/dbraw/zinc/45/35/58/330453558.db2.gz RCDDQGXJTGLAAM-UHFFFAOYSA-N -1 3 281.293 1.238 20 30 CDEDHM C=CC(C)(C)CNC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000452778840 331077231 /nfs/dbraw/zinc/07/72/31/331077231.db2.gz ZRAMWDXHGFGHRQ-UHFFFAOYSA-N -1 3 274.324 1.616 20 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-1 3 273.336 1.872 20 30 CDEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1c(C)noc1C ZINC000233357559 333351601 /nfs/dbraw/zinc/35/16/01/333351601.db2.gz JINWQRPVCQZRAZ-SNVBAGLBSA-N -1 3 256.327 1.372 20 30 CDEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000234025330 333356956 /nfs/dbraw/zinc/35/69/56/333356956.db2.gz JMKFYBKJHDFYLO-SNVBAGLBSA-N -1 3 282.321 1.593 20 30 CDEDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000546640459 334043012 /nfs/dbraw/zinc/04/30/12/334043012.db2.gz KKFLLKLYJUNRLJ-LURJTMIESA-N -1 3 289.338 1.403 20 30 CDEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566452768 334649711 /nfs/dbraw/zinc/64/97/11/334649711.db2.gz LBFKBKCBZFBLTJ-AWEZNQCLSA-N -1 3 272.308 1.482 20 30 CDEDHM C=C(C)CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC000579069208 335703934 /nfs/dbraw/zinc/70/39/34/335703934.db2.gz DWGRISGVMVPXGY-UHFFFAOYSA-N -1 3 285.247 1.084 20 30 CDEDHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]C1(C#N)CC1 ZINC000579940387 335932314 /nfs/dbraw/zinc/93/23/14/335932314.db2.gz IIZJLMNLSUPJRU-SNVBAGLBSA-N -1 3 260.359 1.023 20 30 CDEDHM O=C(N[O-])c1csc(-c2cnn(-c3ccccc3)n2)n1 ZINC000671996680 482475765 /nfs/dbraw/zinc/47/57/65/482475765.db2.gz WJGVNBMCZQDWNS-UHFFFAOYSA-N -1 3 287.304 1.510 20 30 CDEDHM C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N[O-] ZINC000671997506 482478943 /nfs/dbraw/zinc/47/89/43/482478943.db2.gz FPSDPGGCILVWES-RXOVYUGGSA-N -1 3 280.368 1.603 20 30 CDEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000675036179 483210388 /nfs/dbraw/zinc/21/03/88/483210388.db2.gz YFRNSXHPAGAKBG-MRVPVSSYSA-N -1 3 286.328 1.637 20 30 CDEDHM CC1(C)[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)[C@@H]2CCCO[C@@H]21 ZINC000329001361 527850282 /nfs/dbraw/zinc/85/02/82/527850282.db2.gz WAGWPXWMTJSAGW-HLFFCZDVSA-N -1 3 295.339 1.789 20 30 CDEDHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)[C@@H](O)C(C)C ZINC000416635204 535807544 /nfs/dbraw/zinc/80/75/44/535807544.db2.gz ZSYVTFVTVUAXES-MFKMUULPSA-N -1 3 297.380 1.027 20 30 CDEDHM N#Cc1cc(NC(=O)CCC2CC2)ccc1-c1nnn[n-]1 ZINC000737703942 574582845 /nfs/dbraw/zinc/58/28/45/574582845.db2.gz GMCWZEYIQIGOTR-UHFFFAOYSA-N -1 3 282.307 1.867 20 30 CDEDHM N#Cc1cc(NC(=O)CCC2CC2)ccc1-c1nn[n-]n1 ZINC000737703942 574582849 /nfs/dbraw/zinc/58/28/49/574582849.db2.gz GMCWZEYIQIGOTR-UHFFFAOYSA-N -1 3 282.307 1.867 20 30 CDEDHM N#Cc1cc(NC(=O)CC2CC2)ccc1-c1nnn[n-]1 ZINC000737706034 574599078 /nfs/dbraw/zinc/59/90/78/574599078.db2.gz VCBFOXQVXBDXOC-UHFFFAOYSA-N -1 3 268.280 1.477 20 30 CDEDHM N#Cc1cc(NC(=O)CC2CC2)ccc1-c1nn[n-]n1 ZINC000737706034 574599081 /nfs/dbraw/zinc/59/90/81/574599081.db2.gz VCBFOXQVXBDXOC-UHFFFAOYSA-N -1 3 268.280 1.477 20 30 CDEDHM O=C1CN(N=Cc2cccc(OC(F)(F)F)c2)C(=O)[N-]1 ZINC000727971057 574607504 /nfs/dbraw/zinc/60/75/04/574607504.db2.gz NDDBTQYCQKYSFP-UHFFFAOYSA-N -1 3 287.197 1.471 20 30 CDEDHM C#Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000728857776 574657654 /nfs/dbraw/zinc/65/76/54/574657654.db2.gz VYOHGFHLVFZHFM-UHFFFAOYSA-N -1 3 290.286 1.495 20 30 CDEDHM C#Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000728857776 574657657 /nfs/dbraw/zinc/65/76/57/574657657.db2.gz VYOHGFHLVFZHFM-UHFFFAOYSA-N -1 3 290.286 1.495 20 30 CDEDHM N#Cc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737712408 574706055 /nfs/dbraw/zinc/70/60/55/574706055.db2.gz PRQJQOANVRCTTF-UHFFFAOYSA-N -1 3 292.258 1.353 20 30 CDEDHM N#Cc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737712408 574706057 /nfs/dbraw/zinc/70/60/57/574706057.db2.gz PRQJQOANVRCTTF-UHFFFAOYSA-N -1 3 292.258 1.353 20 30 CDEDHM COc1cc(C#N)ccc1OS(=O)(=O)c1cn[n-]c1C ZINC000732215578 575083980 /nfs/dbraw/zinc/08/39/80/575083980.db2.gz SFHJDHOEZMQUMK-UHFFFAOYSA-N -1 3 293.304 1.366 20 30 CDEDHM Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3C(=O)[O-])nc21 ZINC000738747244 575092866 /nfs/dbraw/zinc/09/28/66/575092866.db2.gz PSNWCFQJJHLLHU-OPRDCNLKSA-N -1 3 283.287 1.768 20 30 CDEDHM Cc1cccc2nc(C(C#N)C(=O)[C@@H]3C[C@H]3C(=O)[O-])[nH]c21 ZINC000738747244 575092867 /nfs/dbraw/zinc/09/28/67/575092867.db2.gz 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CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1F)[C@@H](C)C#N ZINC001590674606 1173487321 /nfs/dbraw/zinc/48/73/21/1173487321.db2.gz MDYQQQHIWSTMNQ-QMMMGPOBSA-N -1 3 288.286 1.380 20 30 CDEDHM CN(Cc1cc(C#N)cs1)c1ncccc1-c1nnn[n-]1 ZINC001591130968 1173576065 /nfs/dbraw/zinc/57/60/65/1173576065.db2.gz RHEBGSGWYDUGIO-UHFFFAOYSA-N -1 3 297.347 1.831 20 30 CDEDHM CN(Cc1cc(C#N)cs1)c1ncccc1-c1nn[n-]n1 ZINC001591130968 1173576073 /nfs/dbraw/zinc/57/60/73/1173576073.db2.gz RHEBGSGWYDUGIO-UHFFFAOYSA-N -1 3 297.347 1.831 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N(CCC#N)C(C)C ZINC001591873491 1173732262 /nfs/dbraw/zinc/73/22/62/1173732262.db2.gz GAUAVZYQWHGKDO-UHFFFAOYSA-N -1 3 299.338 1.334 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N(CCC#N)C(C)C ZINC001591873491 1173732268 /nfs/dbraw/zinc/73/22/68/1173732268.db2.gz GAUAVZYQWHGKDO-UHFFFAOYSA-N -1 3 299.338 1.334 20 30 CDEDHM Cc1cc(C=NN[C@@H]2CCC[C@H]2O)ccc1-c1nnn[n-]1 ZINC001591958741 1173757561 /nfs/dbraw/zinc/75/75/61/1173757561.db2.gz LYWZJTIEBTUDCV-CHWSQXEVSA-N 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MQLSSZIQIAZJDE-UHFFFAOYSA-N -1 3 283.339 1.387 20 30 CDEDHM N#CCCN(Cc1cncc(-c2nn[n-]n2)c1)CC1CC1 ZINC001592676963 1173965274 /nfs/dbraw/zinc/96/52/74/1173965274.db2.gz MQLSSZIQIAZJDE-UHFFFAOYSA-N -1 3 283.339 1.387 20 30 CDEDHM N#CCCCNc1ccc(-c2nn[n-]n2)cc1CO ZINC001592676141 1173966243 /nfs/dbraw/zinc/96/62/43/1173966243.db2.gz AWFGBSVXSXWKMJ-UHFFFAOYSA-N -1 3 258.285 1.075 20 30 CDEDHM N#Cc1ccc(OCc2cc(-c3nnn[n-]3)ccn2)cc1F ZINC001592696026 1173972766 /nfs/dbraw/zinc/97/27/66/1173972766.db2.gz YLXJSCTYUNGQRI-UHFFFAOYSA-N -1 3 296.265 1.851 20 30 CDEDHM N#Cc1ccc(OCc2cc(-c3nn[n-]n3)ccn2)cc1F ZINC001592696026 1173972778 /nfs/dbraw/zinc/97/27/78/1173972778.db2.gz YLXJSCTYUNGQRI-UHFFFAOYSA-N -1 3 296.265 1.851 20 30 CDEDHM N#Cc1nc(N)n(C/C=C\c2ccccc2)c1-c1nnn[n-]1 ZINC001592705815 1173978940 /nfs/dbraw/zinc/97/89/40/1173978940.db2.gz FZILZQXQYGNFCW-DAXSKMNVSA-N -1 3 292.306 1.230 20 30 CDEDHM N#Cc1nc(N)n(C/C=C\c2ccccc2)c1-c1nn[n-]n1 ZINC001592705815 1173978943 /nfs/dbraw/zinc/97/89/43/1173978943.db2.gz FZILZQXQYGNFCW-DAXSKMNVSA-N -1 3 292.306 1.230 20 30 CDEDHM N#Cc1nccc(Oc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC001592710033 1173981679 /nfs/dbraw/zinc/98/16/79/1173981679.db2.gz UFTBOHADTMZAOX-UHFFFAOYSA-N -1 3 299.681 1.974 20 30 CDEDHM N#Cc1nccc(Oc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC001592710033 1173981681 /nfs/dbraw/zinc/98/16/81/1173981681.db2.gz UFTBOHADTMZAOX-UHFFFAOYSA-N -1 3 299.681 1.974 20 30 CDEDHM O[C@@H]1CCCC[C@H]1NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC001593536547 1174109840 /nfs/dbraw/zinc/10/98/40/1174109840.db2.gz LMWLLJXOXMEFFI-CHWSQXEVSA-N -1 3 286.339 1.094 20 30 CDEDHM O[C@@H]1CCCC[C@H]1NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC001593536547 1174109846 /nfs/dbraw/zinc/10/98/46/1174109846.db2.gz LMWLLJXOXMEFFI-CHWSQXEVSA-N -1 3 286.339 1.094 20 30 CDEDHM C#CC[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2C(C)=O)C1 ZINC001602703362 1175367690 /nfs/dbraw/zinc/36/76/90/1175367690.db2.gz OOSIWGNBPAJXOW-LBPRGKRZSA-N -1 3 295.346 1.919 20 30 CDEDHM C#CC[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2C(C)=O)C1 ZINC001602703362 1175367694 /nfs/dbraw/zinc/36/76/94/1175367694.db2.gz OOSIWGNBPAJXOW-LBPRGKRZSA-N -1 3 295.346 1.919 20 30 CDEDHM C=CCO[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001602866959 1175440549 /nfs/dbraw/zinc/44/05/49/1175440549.db2.gz QQSNJWYHYOOERJ-JTQLQIEISA-N -1 3 289.314 1.787 20 30 CDEDHM C=CCO[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001602866959 1175440552 /nfs/dbraw/zinc/44/05/52/1175440552.db2.gz QQSNJWYHYOOERJ-JTQLQIEISA-N -1 3 289.314 1.787 20 30 CDEDHM C[C@H](C#N)CN(C)c1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001602983779 1175471463 /nfs/dbraw/zinc/47/14/63/1175471463.db2.gz NVEZZRPELALLFB-SSDOTTSWSA-N -1 3 277.719 1.511 20 30 CDEDHM C[C@H](C#N)CN(C)c1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001602983779 1175471467 /nfs/dbraw/zinc/47/14/67/1175471467.db2.gz NVEZZRPELALLFB-SSDOTTSWSA-N -1 3 277.719 1.511 20 30 CDEDHM C[C@@H](C#N)OCCN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001603131542 1175497246 /nfs/dbraw/zinc/49/72/46/1175497246.db2.gz GPWQNXCGFXHYHP-CABZTGNLSA-N -1 3 264.281 1.036 20 30 CDEDHM C[C@@H](CC#N)C(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001603443277 1175553210 /nfs/dbraw/zinc/55/32/10/1175553210.db2.gz SBMJGXYYMHLLGI-VIFPVBQESA-N -1 3 282.307 1.259 20 30 CDEDHM C[C@@H](CC#N)C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001603443277 1175553215 /nfs/dbraw/zinc/55/32/15/1175553215.db2.gz SBMJGXYYMHLLGI-VIFPVBQESA-N -1 3 282.307 1.259 20 30 CDEDHM C[C@H](NC(=O)CC1(C#N)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001603614434 1175579959 /nfs/dbraw/zinc/57/99/59/1175579959.db2.gz SSFFADSVKFDFKR-JTQLQIEISA-N -1 3 296.334 1.738 20 30 CDEDHM C[C@H](NC(=O)CC1(C#N)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001603614434 1175579964 /nfs/dbraw/zinc/57/99/64/1175579964.db2.gz SSFFADSVKFDFKR-JTQLQIEISA-N -1 3 296.334 1.738 20 30 CDEDHM CC1(C#N)CCN(Cc2cncc(-c3nnn[n-]3)c2)CC1 ZINC001603736266 1175612114 /nfs/dbraw/zinc/61/21/14/1175612114.db2.gz JKZPMLSGTTWSRZ-UHFFFAOYSA-N -1 3 283.339 1.387 20 30 CDEDHM CC1(C#N)CCN(Cc2cncc(-c3nn[n-]n3)c2)CC1 ZINC001603736266 1175612118 /nfs/dbraw/zinc/61/21/18/1175612118.db2.gz JKZPMLSGTTWSRZ-UHFFFAOYSA-N -1 3 283.339 1.387 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001604014613 1175721328 /nfs/dbraw/zinc/72/13/28/1175721328.db2.gz WYRLALSNRGNDDC-VIFPVBQESA-N -1 3 288.286 1.428 20 30 CDEDHM CC[C@@H](CC#N)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001604014613 1175721336 /nfs/dbraw/zinc/72/13/36/1175721336.db2.gz WYRLALSNRGNDDC-VIFPVBQESA-N -1 3 288.286 1.428 20 30 CDEDHM C[C@H](C[C@H]1CCOC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001771620556 1184781611 /nfs/dbraw/zinc/78/16/11/1184781611.db2.gz DZPFGBLGUSKLII-GHMZBOCLSA-N -1 3 294.376 1.540 20 30 CDEDHM C=CC(C)(C)CC(=O)NCC[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001753007097 1184992164 /nfs/dbraw/zinc/99/21/64/1184992164.db2.gz ASBUPDMOJYAGGK-SNVBAGLBSA-N -1 3 295.387 1.097 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001609019266 1164725431 /nfs/dbraw/zinc/72/54/31/1164725431.db2.gz QGHKLAYGLRSMOJ-ZETCQYMHSA-N -1 3 290.714 1.009 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001609019266 1164725438 /nfs/dbraw/zinc/72/54/38/1164725438.db2.gz QGHKLAYGLRSMOJ-ZETCQYMHSA-N -1 3 290.714 1.009 20 30 CDEDHM C=C(C)CNN=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC001609051847 1164743906 /nfs/dbraw/zinc/74/39/06/1164743906.db2.gz XVAQVYDTYPCIEJ-UHFFFAOYSA-N -1 3 274.303 1.896 20 30 CDEDHM C=C(C)CNN=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC001609051847 1164743911 /nfs/dbraw/zinc/74/39/11/1164743911.db2.gz XVAQVYDTYPCIEJ-UHFFFAOYSA-N -1 3 274.303 1.896 20 30 CDEDHM C=C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001609052755 1164744482 /nfs/dbraw/zinc/74/44/82/1164744482.db2.gz OOWHPUZMJMMZHZ-VIFPVBQESA-N -1 3 286.339 1.237 20 30 CDEDHM C=C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001609052755 1164744487 /nfs/dbraw/zinc/74/44/87/1164744487.db2.gz OOWHPUZMJMMZHZ-VIFPVBQESA-N -1 3 286.339 1.237 20 30 CDEDHM C=CCCCCOC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001609053313 1164746767 /nfs/dbraw/zinc/74/67/67/1164746767.db2.gz GCFFSLDTTJPOAU-UHFFFAOYSA-N -1 3 273.296 1.775 20 30 CDEDHM C=CCCCCOC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001609053313 1164746773 /nfs/dbraw/zinc/74/67/73/1164746773.db2.gz GCFFSLDTTJPOAU-UHFFFAOYSA-N -1 3 273.296 1.775 20 30 CDEDHM C=CCCC[C@@H](C)NC(=O)c1cnccc1-c1nnn[n-]1 ZINC001609053829 1164747282 /nfs/dbraw/zinc/74/72/82/1164747282.db2.gz RYLBVMOEUGAELT-SNVBAGLBSA-N -1 3 286.339 1.736 20 30 CDEDHM C=CCCC[C@@H](C)NC(=O)c1cnccc1-c1nn[n-]n1 ZINC001609053829 1164747287 /nfs/dbraw/zinc/74/72/87/1164747287.db2.gz RYLBVMOEUGAELT-SNVBAGLBSA-N -1 3 286.339 1.736 20 30 CDEDHM CC(=NOC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)s1 ZINC001609061720 1164755387 /nfs/dbraw/zinc/75/53/87/1164755387.db2.gz SSWOMKSPSGOZHN-VIFPVBQESA-N -1 3 293.352 1.705 20 30 CDEDHM CC(C)(C#N)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC001609072380 1164756261 /nfs/dbraw/zinc/75/62/61/1164756261.db2.gz NRIJFFDBPAUMQL-UHFFFAOYSA-N -1 3 289.270 1.599 20 30 CDEDHM CC(C)(C#N)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC001609072380 1164756268 /nfs/dbraw/zinc/75/62/68/1164756268.db2.gz NRIJFFDBPAUMQL-UHFFFAOYSA-N -1 3 289.270 1.599 20 30 CDEDHM Cc1nc[n-]c(=O)c1CCC(=O)N(CCC#N)CC1CC1 ZINC001647104248 1168378190 /nfs/dbraw/zinc/37/81/90/1168378190.db2.gz OCQDPSRDYQPDMY-UHFFFAOYSA-N -1 3 288.351 1.576 20 30 CDEDHM COCCCN1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232679573 912390957 /nfs/dbraw/zinc/39/09/57/912390957.db2.gz NVNQZWLBMGQARP-UHFFFAOYSA-N -1 3 289.379 1.418 20 30 CDEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2ccccn2)cn1 ZINC001177305150 914571541 /nfs/dbraw/zinc/57/15/41/914571541.db2.gz RGZUIJSEKFXIAR-UHFFFAOYSA-N -1 3 288.257 1.756 20 30 CDEDHM C#Cc1ccc(C(=O)Nc2cc(=O)[n-]c(C)n2)cc1 ZINC001188719663 921167096 /nfs/dbraw/zinc/16/70/96/921167096.db2.gz IQMSQNSYHCUZIP-UHFFFAOYSA-N -1 3 253.261 1.724 20 30 CDEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001189355081 921461058 /nfs/dbraw/zinc/46/10/58/921461058.db2.gz KNQLFKYEFUCECE-SNVBAGLBSA-N -1 3 272.308 1.861 20 30 CDEDHM NC(=NC(=O)c1cc(-c2ccccn2)[n-]n1)c1nccs1 ZINC001189473864 921496380 /nfs/dbraw/zinc/49/63/80/921496380.db2.gz LDAOTYBXALXYBY-UHFFFAOYSA-N -1 3 298.331 1.474 20 30 CDEDHM C#C[C@@H](NC(=O)c1ccc(C)cc1[O-])[C@@H]1CCCO1 ZINC000775329645 921699451 /nfs/dbraw/zinc/69/94/51/921699451.db2.gz RAIANDVZQNYDCE-OCCSQVGLSA-N -1 3 259.305 1.611 20 30 CDEDHM NC(=O)c1cnoc1[N-]C(=O)C#Cc1ccc(F)cc1F ZINC001178568864 915522465 /nfs/dbraw/zinc/52/24/65/915522465.db2.gz VDKYMROOOVUQDD-UHFFFAOYSA-N -1 3 291.213 1.042 20 30 CDEDHM N#Cc1cc(NC(=O)CCC2OCCO2)ccc1[O-] ZINC001182731366 918107304 /nfs/dbraw/zinc/10/73/04/918107304.db2.gz PTKCVANODAKTIW-UHFFFAOYSA-N -1 3 262.265 1.355 20 30 CDEDHM C[C@H](CNc1ccc(C#N)nc1)NC(=O)c1ccccc1[O-] ZINC001107626857 918513178 /nfs/dbraw/zinc/51/31/78/918513178.db2.gz JBVZOANITJCJAP-LLVKDONJSA-N -1 3 296.330 1.889 20 30 CDEDHM CCCC#CC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001184273562 918964250 /nfs/dbraw/zinc/96/42/50/918964250.db2.gz SPEVSBQVVGSFOZ-UHFFFAOYSA-N -1 3 271.276 1.783 20 30 CDEDHM CC[C@](C)(C#N)[N-]S(=O)(=O)c1cccnc1Cl ZINC001184898922 919315851 /nfs/dbraw/zinc/31/58/51/919315851.db2.gz XLYUIWZYYQIXBE-SNVBAGLBSA-N -1 3 273.745 1.706 20 30 CDEDHM CC(C)C[C@@](C)(C#N)[N-]S(=O)(=O)c1ccco1 ZINC001186884551 920202649 /nfs/dbraw/zinc/20/26/49/920202649.db2.gz DNLKDKXTOMVDCA-NSHDSACASA-N -1 3 256.327 1.886 20 30 CDEDHM CC(C)C[C@H](C#N)NC(=O)c1ccccc1-c1nnn[n-]1 ZINC001187007447 920289462 /nfs/dbraw/zinc/28/94/62/920289462.db2.gz CDFHKLHFEQKIAV-SNVBAGLBSA-N -1 3 284.323 1.535 20 30 CDEDHM CC(C)C[C@H](C#N)NC(=O)c1ccccc1-c1nn[n-]n1 ZINC001187007447 920289478 /nfs/dbraw/zinc/28/94/78/920289478.db2.gz CDFHKLHFEQKIAV-SNVBAGLBSA-N -1 3 284.323 1.535 20 30 CDEDHM Cc1oncc1S(=O)(=O)[N-]Cc1ccccc1C#N ZINC001187390809 920540010 /nfs/dbraw/zinc/54/00/10/920540010.db2.gz ISJYFLZZCFRVHB-UHFFFAOYSA-N -1 3 277.305 1.333 20 30 CDEDHM CC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(F)c(OC)n1 ZINC001190118563 921864540 /nfs/dbraw/zinc/86/45/40/921864540.db2.gz PKPPBPDBQXLMAP-NSHDSACASA-N -1 3 287.316 1.200 20 30 CDEDHM C#Cc1ccccc1C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC001191108855 922399135 /nfs/dbraw/zinc/39/91/35/922399135.db2.gz YVQYRLONYOLNKC-UHFFFAOYSA-N -1 3 283.287 1.820 20 30 CDEDHM C#Cc1ccccc1C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC001191108855 922399147 /nfs/dbraw/zinc/39/91/47/922399147.db2.gz YVQYRLONYOLNKC-UHFFFAOYSA-N -1 3 283.287 1.820 20 30 CDEDHM C=CC[C@@](C)([N-]S(=O)(=O)CC1CCCC1)C(=O)OC ZINC001191561238 922656860 /nfs/dbraw/zinc/65/68/60/922656860.db2.gz XTNNARDDHOTSKI-CYBMUJFWSA-N -1 3 289.397 1.604 20 30 CDEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCCC(=O)N2 ZINC001193149543 923494230 /nfs/dbraw/zinc/49/42/30/923494230.db2.gz PPWNIMZAVKJWKJ-VIFPVBQESA-N -1 3 293.348 1.615 20 30 CDEDHM CC[C@H](C#N)[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194120160 924069904 /nfs/dbraw/zinc/06/99/04/924069904.db2.gz CNGOIZYNPVTFET-SECBINFHSA-N -1 3 279.321 1.549 20 30 CDEDHM Cc1noc([N-]C(=S)NC(=O)c2ccccc2)c1C#N ZINC001195373856 924573786 /nfs/dbraw/zinc/57/37/86/924573786.db2.gz LCOLJKYESKSKRD-UHFFFAOYSA-N -1 3 286.316 1.982 20 30 CDEDHM C=CCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)COC ZINC000691808929 928629797 /nfs/dbraw/zinc/62/97/97/928629797.db2.gz JIVLWWOXPFLSDA-JTQLQIEISA-N -1 3 265.309 1.761 20 30 CDEDHM O=C(COc1ccccc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000816754531 930355862 /nfs/dbraw/zinc/35/58/62/930355862.db2.gz GWYKAIDVSUFCHL-SNVBAGLBSA-N -1 3 298.726 1.215 20 30 CDEDHM Cc1ccccc1[C@H](C)CC(=O)N[C@H]1CCCN([O-])C1=O ZINC000816755638 930356856 /nfs/dbraw/zinc/35/68/56/930356856.db2.gz FKIYUUBDPCFSCM-OCCSQVGLSA-N -1 3 290.363 1.985 20 30 CDEDHM C#CCN(CC1CC1)C(=O)c1nnc2ccccc2c1[O-] ZINC001116369306 937444245 /nfs/dbraw/zinc/44/42/45/937444245.db2.gz JKHAXGGOBYCSGV-UHFFFAOYSA-N -1 3 281.315 1.821 20 30 CDEDHM C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC001095345131 930942178 /nfs/dbraw/zinc/94/21/78/930942178.db2.gz GFWRPXDPKGEHGN-WOPDTQHZSA-N -1 3 273.336 1.308 20 30 CDEDHM N#C[C@@H]1CN(C(=O)c2c(O)cc3ccccc3c2[O-])CCO1 ZINC001154026364 937493738 /nfs/dbraw/zinc/49/37/38/937493738.db2.gz LUUMTKFODKHCIE-LLVKDONJSA-N -1 3 298.298 1.616 20 30 CDEDHM N#Cc1cc(NC(=O)CCC(=O)C2CC2)ccc1[O-] ZINC001144227855 931711108 /nfs/dbraw/zinc/71/11/08/931711108.db2.gz BJDYGQSUFZHYCD-UHFFFAOYSA-N -1 3 258.277 1.962 20 30 CDEDHM COCCCNC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154552642 937557960 /nfs/dbraw/zinc/55/79/60/937557960.db2.gz YRLONWGGIJPHRX-UHFFFAOYSA-N -1 3 285.303 1.166 20 30 CDEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(=O)[nH]c1 ZINC001147151312 932428183 /nfs/dbraw/zinc/42/81/83/932428183.db2.gz XQDXXFLJAPIXGL-UHFFFAOYSA-N -1 3 272.264 1.226 20 30 CDEDHM C[C@H]1OCc2c1nc(Cl)nc2N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171363221 932866985 /nfs/dbraw/zinc/86/69/85/932866985.db2.gz DLYPWDKKHMSXQG-BBVRLYRLSA-N -1 3 298.730 1.369 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nccc2ccn(C)c21 ZINC001171364939 932870635 /nfs/dbraw/zinc/87/06/35/932870635.db2.gz DVEMCPIYORRCSF-WPRPVWTQSA-N -1 3 260.297 1.221 20 30 CDEDHM Cn1ccnc1C(C#N)=C([O-])c1cc(C2CC2)[nH]n1 ZINC001122517505 937939099 /nfs/dbraw/zinc/93/90/99/937939099.db2.gz CVXWVVSCFXHESB-SECBINFHSA-N -1 3 255.281 1.511 20 30 CDEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1nccs1 ZINC001122627751 937946796 /nfs/dbraw/zinc/94/67/96/937946796.db2.gz GQOMDTVAHSIHNK-UMCURTJPSA-N -1 3 298.327 1.899 20 30 CDEDHM Cc1cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)nc(C(C)C)n1 ZINC001160175986 938773405 /nfs/dbraw/zinc/77/34/05/938773405.db2.gz BDKISMVSSJYQHF-KWQFWETISA-N -1 3 264.329 1.556 20 30 CDEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nccc2c3c([nH]c21)CCC3 ZINC001160178931 938773973 /nfs/dbraw/zinc/77/39/73/938773973.db2.gz PTUULKYJKCQFLU-UFBFGSQYSA-N -1 3 286.335 1.700 20 30 CDEDHM O=c1[nH][n-]cc1CCCNc1ccc2c(c1)CC/C2=N/O ZINC001164395955 939470488 /nfs/dbraw/zinc/47/04/88/939470488.db2.gz OVFJZEZVDCJIKU-PFMFLNCGSA-N -1 3 286.335 1.735 20 30 CDEDHM Cc1cc(C#N)ccc1Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001210374459 940686997 /nfs/dbraw/zinc/68/69/97/940686997.db2.gz LFWXIDSQLTZPLV-UHFFFAOYSA-N -1 3 257.253 1.394 20 30 CDEDHM COc1ccc(Nc2[nH]c(=O)[n-]c(=O)c2N=O)cc1C#N ZINC001214997034 940851073 /nfs/dbraw/zinc/85/10/73/940851073.db2.gz NNHFGBQMWWILLP-UHFFFAOYSA-N -1 3 287.235 1.910 20 30 CDEDHM C#C[C@H](Oc1c([O-])ccc(C(C)=O)c1O)C(=O)OCC ZINC001226483257 942014280 /nfs/dbraw/zinc/01/42/80/942014280.db2.gz SUWQLJWMTVBUCA-NSHDSACASA-N -1 3 278.260 1.244 20 30 CDEDHM O=C1C=C[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226600047 942032941 /nfs/dbraw/zinc/03/29/41/942032941.db2.gz SKAGKWCIUUICRI-SNVBAGLBSA-N -1 3 258.229 1.775 20 30 CDEDHM COC(=O)c1ccc([O-])c(O[C@@H]2CC[C@@H](C#N)C2)n1 ZINC001227823329 942232862 /nfs/dbraw/zinc/23/28/62/942232862.db2.gz WMRZTXDZMIVUKA-RKDXNWHRSA-N -1 3 262.265 1.645 20 30 CDEDHM Cc1[n-]c(=O)cc(O[C@H]2C=CC(=O)C2)c1[N+](=O)[O-] ZINC001228689984 942358545 /nfs/dbraw/zinc/35/85/45/942358545.db2.gz YRZYTMIZRYUUED-QMMMGPOBSA-N -1 3 250.210 1.280 20 30 CDEDHM CC[C@@H]1OC(=O)C(Oc2cc(C(=O)NO)ccc2[O-])=C1C ZINC001229969121 942561053 /nfs/dbraw/zinc/56/10/53/942561053.db2.gz TZCDLGUPYKBOLE-JTQLQIEISA-N -1 3 293.275 1.499 20 30 CDEDHM C#C[C@@H]1CCC[C@H]1Oc1nc[n-]c(=O)c1CC(=O)OC ZINC001230501807 942626632 /nfs/dbraw/zinc/62/66/32/942626632.db2.gz KJWVUNQAMOCVIG-MWLCHTKSSA-N -1 3 276.292 1.078 20 30 CDEDHM C#C[C@@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC001231797366 943018894 /nfs/dbraw/zinc/01/88/94/943018894.db2.gz RVGAYPHXQVCUIX-CYBMUJFWSA-N -1 3 273.332 1.995 20 30 CDEDHM COCCn1cc(C([O-])=C(C#N)c2cccc(F)n2)cn1 ZINC001263386114 943848024 /nfs/dbraw/zinc/84/80/24/943848024.db2.gz KNJAFTCFPMGZLB-NSHDSACASA-N -1 3 288.282 1.554 20 30 CDEDHM N#Cc1cccc2nc(=O)[n-]c(OC[C@@H]3CCC(=O)O3)c12 ZINC001234511598 943873885 /nfs/dbraw/zinc/87/38/85/943873885.db2.gz RQORTCDJNPKSAP-VIFPVBQESA-N -1 3 285.259 1.291 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000700597099 944640626 /nfs/dbraw/zinc/64/06/26/944640626.db2.gz SDTZBHPTNAOGBG-NSHDSACASA-N -1 3 255.281 1.008 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000700597099 944640629 /nfs/dbraw/zinc/64/06/29/944640629.db2.gz SDTZBHPTNAOGBG-NSHDSACASA-N -1 3 255.281 1.008 20 30 CDEDHM N#Cc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)c(N)c1 ZINC001244089422 947308729 /nfs/dbraw/zinc/30/87/29/947308729.db2.gz VOBOCRAKMYPKEE-UHFFFAOYSA-N -1 3 276.303 1.911 20 30 CDEDHM N#Cc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)c(N)c1 ZINC001244089422 947308739 /nfs/dbraw/zinc/30/87/39/947308739.db2.gz VOBOCRAKMYPKEE-UHFFFAOYSA-N -1 3 276.303 1.911 20 30 CDEDHM CCOC(=O)c1cnc(-c2ccc([O-])c(CO)c2)c(C#N)c1 ZINC001244774512 947469633 /nfs/dbraw/zinc/46/96/33/947469633.db2.gz MADQVSKLLSRWRR-UHFFFAOYSA-N -1 3 298.298 1.995 20 30 CDEDHM N#C[C@H]1CC[C@@H](NCC(=O)c2ccc([O-])c(O)c2)C1 ZINC001254643316 947566529 /nfs/dbraw/zinc/56/65/29/947566529.db2.gz KURAEFYVOLNZQT-GXSJLCMTSA-N -1 3 260.293 1.562 20 30 CDEDHM CN(C)CCn1[n-]c(-c2ccc(C#N)cc2)cc1=O ZINC001245934050 947855169 /nfs/dbraw/zinc/85/51/69/947855169.db2.gz YLXIGQQFGCICSS-UHFFFAOYSA-N -1 3 256.309 1.689 20 30 CDEDHM C=CCOC[C@@H](O)CNc1c([O-])cc(F)cc1F ZINC001252475400 951331869 /nfs/dbraw/zinc/33/18/69/951331869.db2.gz DGVRRPPAJMDPMV-VIFPVBQESA-N -1 3 259.252 1.646 20 30 CDEDHM C=CCCCCCC[C@H](O)CNCC(=O)CCC(=O)[O-] ZINC001253256305 951827506 /nfs/dbraw/zinc/82/75/06/951827506.db2.gz UWYDVYBGKSVFKT-ZDUSSCGKSA-N -1 3 285.384 1.897 20 30 CDEDHM CC(C)(CC#N)CS(=O)(=O)[N-]Cc1nc(C2CC2)no1 ZINC001363767995 953767494 /nfs/dbraw/zinc/76/74/94/953767494.db2.gz MXDZYLLMKHPKBW-UHFFFAOYSA-N -1 3 298.368 1.306 20 30 CDEDHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(C#N)cn1 ZINC001589308313 953768541 /nfs/dbraw/zinc/76/85/41/953768541.db2.gz OISJGAYOJBIJFT-PWSUYJOCSA-N -1 3 259.309 1.638 20 30 CDEDHM C/C=C\C[C@H](CO)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001325659478 954012259 /nfs/dbraw/zinc/01/22/59/954012259.db2.gz OVINSBLOUGNHPK-MXQLGCADSA-N -1 3 280.349 1.052 20 30 CDEDHM [O-]c1ccc(C=NNCC2CCOCC2)c(F)c1 ZINC001326445622 954386116 /nfs/dbraw/zinc/38/61/16/954386116.db2.gz CZJZMZCDHMCAHA-UHFFFAOYSA-N -1 3 252.289 1.881 20 30 CDEDHM CCC#C[C@H](C)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001589419474 954583826 /nfs/dbraw/zinc/58/38/26/954583826.db2.gz DZFLWFIOAVNALA-STQMWFEESA-N -1 3 292.379 1.186 20 30 CDEDHM C#CCN(Cc1cn(C)nc1C(=O)[O-])C1CCCCC1 ZINC001339182357 956329264 /nfs/dbraw/zinc/32/92/64/956329264.db2.gz DWQXIZWQQZIXAM-UHFFFAOYSA-N -1 3 275.352 1.886 20 30 CDEDHM Cc1cc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)ncc1C#N ZINC001307157816 956373083 /nfs/dbraw/zinc/37/30/83/956373083.db2.gz ZJRGAGLKZBRFNX-JTQLQIEISA-N -1 3 269.308 1.684 20 30 CDEDHM Cc1cc(=O)[n-]c(CNC(=O)c2cccc(CC#N)c2)n1 ZINC001434146614 961027107 /nfs/dbraw/zinc/02/71/07/961027107.db2.gz HPTRXBRGHCRQOW-UHFFFAOYSA-N -1 3 282.303 1.487 20 30 CDEDHM CN(N=C1[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC001339802368 962547737 /nfs/dbraw/zinc/54/77/37/962547737.db2.gz JHBJOIXQLLMVAU-UHFFFAOYSA-N -1 3 287.344 1.777 20 30 CDEDHM N#CCC[C@@H](C#N)CN1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001570982400 963099237 /nfs/dbraw/zinc/09/92/37/963099237.db2.gz XERDTCCLARUZRE-SCRDCRAPSA-N -1 3 261.325 1.759 20 30 CDEDHM C[C@H](C#N)OCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000312316617 963554104 /nfs/dbraw/zinc/55/41/04/963554104.db2.gz GNYFFEZVONPQJV-RISCZKNCSA-N -1 3 274.320 1.599 20 30 CDEDHM CC[C@H](CNC(=O)c1ccccc1[O-])NC(=O)[C@H](C)C#N ZINC001450839767 967807039 /nfs/dbraw/zinc/80/70/39/967807039.db2.gz JCJVHSKLYQNBGU-GHMZBOCLSA-N -1 3 289.335 1.176 20 30 CDEDHM N#Cc1nc([N-]c2ccn(CC(N)=O)n2)sc1Cl ZINC001458165433 969264374 /nfs/dbraw/zinc/26/43/74/969264374.db2.gz KSMPBVFJTWZUBF-UHFFFAOYSA-N -1 3 282.716 1.094 20 30 CDEDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C#N)cc1F)C2 ZINC001470673299 970360002 /nfs/dbraw/zinc/36/00/02/970360002.db2.gz AESSJXKLLQVISR-UHFFFAOYSA-N -1 3 298.277 1.657 20 30 CDEDHM Cc1cc(CN2CCSC[C@@H]2C(=O)[O-])ccc1C#N ZINC000414658145 973946463 /nfs/dbraw/zinc/94/64/63/973946463.db2.gz PYXPKLCNMWHEOF-CYBMUJFWSA-N -1 3 276.361 1.869 20 30 CDEDHM N#CCCCC[C@H](N)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000691607424 976374633 /nfs/dbraw/zinc/37/46/33/976374633.db2.gz HVZXGFOQYWJXLC-NSHDSACASA-N -1 3 281.356 1.301 20 30 CDEDHM N#CCCC[C@H](N)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000691642913 976381509 /nfs/dbraw/zinc/38/15/09/976381509.db2.gz QBIPCQZOWQLNBR-LBPRGKRZSA-N -1 3 275.308 1.022 20 30 CDEDHM C#CC[C@@H](NCc1cnc(C(C)(C)C)nc1)C(=O)[O-] ZINC001588423700 983453928 /nfs/dbraw/zinc/45/39/28/983453928.db2.gz OMQSTESLBWLXQZ-LLVKDONJSA-N -1 3 261.325 1.340 20 30 CDEDHM C#CCC1(O)CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC001588430737 983464222 /nfs/dbraw/zinc/46/42/22/983464222.db2.gz DPIUUNVHFVODOF-NSHDSACASA-N -1 3 277.320 1.889 20 30 CDEDHM C=CCCC[C@@H](N)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001588787014 984185675 /nfs/dbraw/zinc/18/56/75/984185675.db2.gz SMMFRWISDLKBKE-MNOVXSKESA-N -1 3 254.330 1.040 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001588920249 984577019 /nfs/dbraw/zinc/57/70/19/984577019.db2.gz VTFCOQYRSHKHNR-IEBDPFPHSA-N -1 3 251.282 1.972 20 30 CDEDHM N#CCC1(CNC(=O)c2csc(-c3nnn[n-]3)c2)CC1 ZINC001592674908 1173965574 /nfs/dbraw/zinc/96/55/74/1173965574.db2.gz ISEFWKDQRDVGIG-UHFFFAOYSA-N -1 3 288.336 1.352 20 30 CDEDHM C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000587989186 342490172 /nfs/dbraw/zinc/49/01/72/342490172.db2.gz WWBHLBJNOIQXPX-DOMZBBRYSA-N -1 3 299.374 1.963 20 30 CDEDHM Cc1cc(C)c2[n-]cc(C(=O)N3CC(C#N)C3)c(=O)c2c1 ZINC000590766302 342592867 /nfs/dbraw/zinc/59/28/67/342592867.db2.gz VXKGVFJUMOIKSG-UHFFFAOYSA-N -1 3 281.315 1.741 20 30 CDEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000611619592 346838858 /nfs/dbraw/zinc/83/88/58/346838858.db2.gz XVQGAUWTFUQODF-UHFFFAOYSA-N -1 3 281.312 1.525 20 30 CDEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(F)ccc1OC ZINC000592046406 342661324 /nfs/dbraw/zinc/66/13/24/342661324.db2.gz SFTPWAOZSACYMR-SNVBAGLBSA-N -1 3 286.328 1.805 20 30 CDEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@H](F)C1 ZINC000573443011 361878904 /nfs/dbraw/zinc/87/89/04/361878904.db2.gz ZZKLHLMDVQRSII-UWVGGRQHSA-N -1 3 283.328 1.512 20 30 CDEDHM CC[C@H](C(=O)[O-])N(C)Cc1cnc2ccc(C#N)cn12 ZINC000593331960 342786013 /nfs/dbraw/zinc/78/60/13/342786013.db2.gz JNPOAQMSEOJDKA-GFCCVEGCSA-N -1 3 272.308 1.501 20 30 CDEDHM C[C@]1(C#N)CCCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000594339527 342890767 /nfs/dbraw/zinc/89/07/67/342890767.db2.gz QHCCJEVGDCTWNP-OAHLLOKOSA-N -1 3 286.335 1.825 20 30 CDEDHM COc1cccc(S(=O)(=O)[N-]CCCCC#N)c1F ZINC000594448584 342909274 /nfs/dbraw/zinc/90/92/74/342909274.db2.gz KTMWUZACRUGEKV-UHFFFAOYSA-N -1 3 286.328 1.806 20 30 CDEDHM COc1cccc(CO[C@H](C)C(=O)N=C2[N-]C(=O)CN2)c1 ZINC000050222999 342286197 /nfs/dbraw/zinc/28/61/97/342286197.db2.gz XHBGIZFULMFTAP-SECBINFHSA-N -1 3 291.307 1.043 20 30 CDEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CO1 ZINC000573797769 362169528 /nfs/dbraw/zinc/16/95/28/362169528.db2.gz HMZSBOGMPSSLGY-WPRPVWTQSA-N -1 3 284.312 1.153 20 30 CDEDHM CCN=c1[n-]c(C(=O)N[C@@H](C#N)CC(C)C)cs1 ZINC000597077252 343440013 /nfs/dbraw/zinc/44/00/13/343440013.db2.gz ZYVFMRYGCWSAPH-SECBINFHSA-N -1 3 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C#CCCC[C@@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588341529 1173044177 /nfs/dbraw/zinc/04/41/77/1173044177.db2.gz KAPLHWIKYHLTHA-SECBINFHSA-N -1 3 273.296 1.544 20 30 CDEDHM C#CCCC[C@@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588341529 1173044186 /nfs/dbraw/zinc/04/41/86/1173044186.db2.gz KAPLHWIKYHLTHA-SECBINFHSA-N -1 3 273.296 1.544 20 30 CDEDHM C#CCSCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001588363238 1173050469 /nfs/dbraw/zinc/05/04/69/1173050469.db2.gz STRAJIQXHOGRGD-UHFFFAOYSA-N -1 3 299.359 1.122 20 30 CDEDHM C#CCSCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001588363238 1173050472 /nfs/dbraw/zinc/05/04/72/1173050472.db2.gz STRAJIQXHOGRGD-UHFFFAOYSA-N -1 3 299.359 1.122 20 30 CDEDHM C=C1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588463043 1173067294 /nfs/dbraw/zinc/06/72/94/1173067294.db2.gz XSLBUPCUIIAQHR-UHFFFAOYSA-N -1 3 256.269 1.270 20 30 CDEDHM C=C1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588463043 1173067304 /nfs/dbraw/zinc/06/73/04/1173067304.db2.gz XSLBUPCUIIAQHR-UHFFFAOYSA-N -1 3 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CC(C[C@@H]1CCC(=O)N1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001589801114 1173184976 /nfs/dbraw/zinc/18/49/76/1173184976.db2.gz JCCYUAIOLTZOCQ-LBPRGKRZSA-N -1 3 299.338 1.323 20 30 CDEDHM C[C@@H](Nc1c(C#N)cccc1-c1nnn[n-]1)c1nccn1C ZINC001589978424 1173219091 /nfs/dbraw/zinc/21/90/91/1173219091.db2.gz QWUFUABSTXHDBI-SECBINFHSA-N -1 3 294.322 1.645 20 30 CDEDHM C[C@@H](Nc1c(C#N)cccc1-c1nn[n-]n1)c1nccn1C ZINC001589978424 1173219097 /nfs/dbraw/zinc/21/90/97/1173219097.db2.gz QWUFUABSTXHDBI-SECBINFHSA-N -1 3 294.322 1.645 20 30 CDEDHM C[C@@H](OC(=O)[C@@H]1C[C@@H]1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001590007587 1173235103 /nfs/dbraw/zinc/23/51/03/1173235103.db2.gz CBAARQRGKYGPDC-GGZOMVNGSA-N -1 3 283.291 1.631 20 30 CDEDHM C[C@@H](OC(=O)[C@@H]1C[C@@H]1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001590007587 1173235109 /nfs/dbraw/zinc/23/51/09/1173235109.db2.gz CBAARQRGKYGPDC-GGZOMVNGSA-N -1 3 283.291 1.631 20 30 CDEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C(C)(C)C#N ZINC001590043346 1173235518 /nfs/dbraw/zinc/23/55/18/1173235518.db2.gz YALWYFMWQMHPBU-JTQLQIEISA-N -1 3 298.350 1.936 20 30 CDEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C(C)(C)C#N ZINC001590043346 1173235526 /nfs/dbraw/zinc/23/55/26/1173235526.db2.gz YALWYFMWQMHPBU-JTQLQIEISA-N -1 3 298.350 1.936 20 30 CDEDHM C[C@@]1(C#N)CCN(CCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC001590054609 1173241640 /nfs/dbraw/zinc/24/16/40/1173241640.db2.gz MIBQMYQABKPINS-HNNXBMFYSA-N -1 3 298.350 1.481 20 30 CDEDHM C[C@@]1(C#N)CCN(CCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC001590054609 1173241646 /nfs/dbraw/zinc/24/16/46/1173241646.db2.gz MIBQMYQABKPINS-HNNXBMFYSA-N -1 3 298.350 1.481 20 30 CDEDHM CCC(=NN[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358635 1173373885 /nfs/dbraw/zinc/37/38/85/1173373885.db2.gz ADPXFKBMONZSGT-LBPRGKRZSA-N -1 3 286.339 1.359 20 30 CDEDHM CCC(=NN[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358635 1173373893 /nfs/dbraw/zinc/37/38/93/1173373893.db2.gz ADPXFKBMONZSGT-LBPRGKRZSA-N -1 3 286.339 1.359 20 30 CDEDHM CC[C@@H](C)NN=C(C)c1cccc(-c2nnn[n-]2)c1 ZINC001590414676 1173398532 /nfs/dbraw/zinc/39/85/32/1173398532.db2.gz SGKUOLDUEWZZBV-SECBINFHSA-N -1 3 258.329 1.979 20 30 CDEDHM CC[C@@H](C)NN=C(C)c1cccc(-c2nn[n-]n2)c1 ZINC001590414676 1173398537 /nfs/dbraw/zinc/39/85/37/1173398537.db2.gz SGKUOLDUEWZZBV-SECBINFHSA-N -1 3 258.329 1.979 20 30 CDEDHM CC[C@@H](CC#N)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590419705 1173401640 /nfs/dbraw/zinc/40/16/40/1173401640.db2.gz PQSIYOKRVCDVEL-QMMMGPOBSA-N -1 3 287.283 1.879 20 30 CDEDHM CC[C@@H](CC#N)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590419705 1173401646 /nfs/dbraw/zinc/40/16/46/1173401646.db2.gz PQSIYOKRVCDVEL-QMMMGPOBSA-N -1 3 287.283 1.879 20 30 CDEDHM CCN(C(=O)c1cc(-c2nnn[n-]2)ccc1F)[C@H](C)C#N ZINC001590673872 1173486020 /nfs/dbraw/zinc/48/60/20/1173486020.db2.gz LLZGDXYYWHJEIV-MRVPVSSYSA-N -1 3 288.286 1.380 20 30 CDEDHM CCN(C(=O)c1cc(-c2nn[n-]n2)ccc1F)[C@H](C)C#N ZINC001590673872 1173486025 /nfs/dbraw/zinc/48/60/25/1173486025.db2.gz LLZGDXYYWHJEIV-MRVPVSSYSA-N -1 3 288.286 1.380 20 30 CDEDHM CCOCCON=C(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590816156 1173519702 /nfs/dbraw/zinc/51/97/02/1173519702.db2.gz CTNYPOKKDIMIBJ-UHFFFAOYSA-N -1 3 275.312 1.644 20 30 CDEDHM CCOCCON=C(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590816156 1173519709 /nfs/dbraw/zinc/51/97/09/1173519709.db2.gz CTNYPOKKDIMIBJ-UHFFFAOYSA-N -1 3 275.312 1.644 20 30 CDEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)CCCC#N ZINC001591129429 1173573609 /nfs/dbraw/zinc/57/36/09/1173573609.db2.gz SFAKKSWJYCCMRP-UHFFFAOYSA-N -1 3 290.352 1.580 20 30 CDEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)CCCC#N ZINC001591129429 1173573614 /nfs/dbraw/zinc/57/36/14/1173573614.db2.gz SFAKKSWJYCCMRP-UHFFFAOYSA-N -1 3 290.352 1.580 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(Oc2ccc(F)nc2C#N)n1 ZINC001591860186 1173725932 /nfs/dbraw/zinc/72/59/32/1173725932.db2.gz DQEQJLRYOPBOFR-UHFFFAOYSA-N -1 3 297.253 1.768 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(Oc2ccc(F)nc2C#N)n1 ZINC001591860186 1173725936 /nfs/dbraw/zinc/72/59/36/1173725936.db2.gz DQEQJLRYOPBOFR-UHFFFAOYSA-N -1 3 297.253 1.768 20 30 CDEDHM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001592648737 1173952349 /nfs/dbraw/zinc/95/23/49/1173952349.db2.gz WUZTXQAMTBQLLY-UHFFFAOYSA-N -1 3 283.270 1.847 20 30 CDEDHM N#C[C@H]1CC[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592672757 1173963833 /nfs/dbraw/zinc/96/38/33/1173963833.db2.gz OGHKDORQMWWVRA-JOYOIKCWSA-N -1 3 283.291 1.716 20 30 CDEDHM N#C[C@H]1CC[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592672757 1173963838 /nfs/dbraw/zinc/96/38/38/1173963838.db2.gz OGHKDORQMWWVRA-JOYOIKCWSA-N -1 3 283.291 1.716 20 30 CDEDHM N#CCCCC(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001592674654 1173965383 /nfs/dbraw/zinc/96/53/83/1173965383.db2.gz HRFRUGCWLWPVHM-UHFFFAOYSA-N -1 3 282.307 1.450 20 30 CDEDHM N#CCCCC(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001592674654 1173965389 /nfs/dbraw/zinc/96/53/89/1173965389.db2.gz HRFRUGCWLWPVHM-UHFFFAOYSA-N -1 3 282.307 1.450 20 30 CDEDHM N#Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC001592690366 1173972353 /nfs/dbraw/zinc/97/23/53/1173972353.db2.gz WSUHVCIMARFRSQ-UHFFFAOYSA-N -1 3 264.248 1.926 20 30 CDEDHM O=C(C#CC1CC1)OCCc1ccc(-c2nnn[n-]2)cc1 ZINC001592767467 1173988282 /nfs/dbraw/zinc/98/82/82/1173988282.db2.gz BOJZAZCWCGEYCY-UHFFFAOYSA-N -1 3 282.303 1.366 20 30 CDEDHM O=C(C#CC1CC1)OCCc1ccc(-c2nn[n-]n2)cc1 ZINC001592767467 1173988287 /nfs/dbraw/zinc/98/82/87/1173988287.db2.gz BOJZAZCWCGEYCY-UHFFFAOYSA-N -1 3 282.303 1.366 20 30 CDEDHM N#Cc1ccc(CN[C@]2(CC(=O)[O-])CCCOC2)c(F)c1 ZINC001601101592 1174742710 /nfs/dbraw/zinc/74/27/10/1174742710.db2.gz DNKVTOYPKJGPDX-HNNXBMFYSA-N -1 3 292.310 1.811 20 30 CDEDHM C=C(C)[C@H](CO)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001602747499 1175383877 /nfs/dbraw/zinc/38/38/77/1175383877.db2.gz TUOGXXMIAXUOLA-WCBMZHEXSA-N -1 3 267.247 1.262 20 30 CDEDHM C=CC[C@@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001602812263 1175413308 /nfs/dbraw/zinc/41/33/08/1175413308.db2.gz ZWQWBDHXRQRCER-SNVBAGLBSA-N -1 3 288.307 1.753 20 30 CDEDHM C=CCCCOC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602839855 1175427729 /nfs/dbraw/zinc/42/77/29/1175427729.db2.gz JACAZYNRHXMWMX-UHFFFAOYSA-N -1 3 273.296 1.693 20 30 CDEDHM C=CCCCOC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602839855 1175427736 /nfs/dbraw/zinc/42/77/36/1175427736.db2.gz JACAZYNRHXMWMX-UHFFFAOYSA-N -1 3 273.296 1.693 20 30 CDEDHM CC(=NNC1CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602906847 1175449400 /nfs/dbraw/zinc/44/94/00/1175449400.db2.gz ZRPCBIMBHWTPPZ-UHFFFAOYSA-N -1 3 260.276 1.482 20 30 CDEDHM CC(=NNC1CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602906847 1175449403 /nfs/dbraw/zinc/44/94/03/1175449403.db2.gz ZRPCBIMBHWTPPZ-UHFFFAOYSA-N -1 3 260.276 1.482 20 30 CDEDHM C[C@H](C#N)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602983154 1175471361 /nfs/dbraw/zinc/47/13/61/1175471361.db2.gz FMDFVTVIZDDCAC-SSDOTTSWSA-N -1 3 290.714 1.296 20 30 CDEDHM C[C@H](C#N)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602983154 1175471365 /nfs/dbraw/zinc/47/13/65/1175471365.db2.gz FMDFVTVIZDDCAC-SSDOTTSWSA-N -1 3 290.714 1.296 20 30 CDEDHM CC1(C)C[C@@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603791684 1175634889 /nfs/dbraw/zinc/63/48/89/1175634889.db2.gz WPGDSYHLRZOOTH-JTQLQIEISA-N -1 3 254.297 1.949 20 30 CDEDHM CC1(C)C[C@@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603791684 1175634892 /nfs/dbraw/zinc/63/48/92/1175634892.db2.gz WPGDSYHLRZOOTH-JTQLQIEISA-N -1 3 254.297 1.949 20 30 CDEDHM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@H](N)CCCC#N ZINC001603806545 1175637315 /nfs/dbraw/zinc/63/73/15/1175637315.db2.gz YGAOVSCOBLLXER-GFCCVEGCSA-N -1 3 297.399 1.603 20 30 CDEDHM Cc1nsc(N[C@@H]2CC[C@H](C#N)C2)c1-c1nnn[n-]1 ZINC001606162741 1163793059 /nfs/dbraw/zinc/79/30/59/1163793059.db2.gz LECSANJBQDSXKX-JGVFFNPUSA-N -1 3 275.341 1.736 20 30 CDEDHM CC1(C)C[C@@]1(C(=O)N[C@@H]1CCN([O-])C1=O)c1ccccc1 ZINC000820126354 723092429 /nfs/dbraw/zinc/09/24/29/723092429.db2.gz ANZYBMFURPTPRQ-WBMJQRKESA-N -1 3 288.347 1.461 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(-c2ccco2)on1 ZINC000820476045 723099855 /nfs/dbraw/zinc/09/98/55/723099855.db2.gz GKPUQKSEBGSWBL-MRVPVSSYSA-N -1 3 291.263 1.045 20 30 CDEDHM C=CCSCCNCc1ccc(C(=O)[O-])cn1 ZINC000231944317 723126514 /nfs/dbraw/zinc/12/65/14/723126514.db2.gz DEIWCFRNWLRSEF-UHFFFAOYSA-N -1 3 252.339 1.789 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(CCC(=O)OC)cs1 ZINC000844564954 723265163 /nfs/dbraw/zinc/26/51/63/723265163.db2.gz LHUXUEAWXTZLJK-MRVPVSSYSA-N -1 3 299.352 1.876 20 30 CDEDHM COCC#CCSc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC000826147231 723340474 /nfs/dbraw/zinc/34/04/74/723340474.db2.gz QKAAHVXESQMJPV-UHFFFAOYSA-N -1 3 290.352 1.015 20 30 CDEDHM C=CCOCC[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC000885096294 723371511 /nfs/dbraw/zinc/37/15/11/723371511.db2.gz HXPRLYUVTSWUFL-UHFFFAOYSA-N -1 3 290.772 1.524 20 30 CDEDHM C=C(C)CN1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001046259477 723522199 /nfs/dbraw/zinc/52/21/99/723522199.db2.gz MWOPXKVWQIGUQK-OAHLLOKOSA-N -1 3 275.352 1.558 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(F)c(F)c1 ZINC000820471313 723580977 /nfs/dbraw/zinc/58/09/77/723580977.db2.gz SBXCLGVVDYLGMY-JTQLQIEISA-N -1 3 270.235 1.075 20 30 CDEDHM C=C(Cl)C[C@@H](N)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000864611115 723637556 /nfs/dbraw/zinc/63/75/56/723637556.db2.gz VFYYNRFRQHQVLZ-RISCZKNCSA-N -1 3 296.754 1.573 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000854649248 723664145 /nfs/dbraw/zinc/66/41/45/723664145.db2.gz SYFKYRBQTKGBPM-IJLUTSLNSA-N -1 3 280.368 1.699 20 30 CDEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000070398268 723667183 /nfs/dbraw/zinc/66/71/83/723667183.db2.gz VTIXOHGGPLTGBA-UHFFFAOYSA-N -1 3 296.245 1.928 20 30 CDEDHM O=C(C/C=C/Cc1ccccc1)N[C@@H]1CCCN([O-])C1=O ZINC000823162173 723684339 /nfs/dbraw/zinc/68/43/39/723684339.db2.gz XXOOIUBIFQRRQJ-ISZGNANSSA-N -1 3 288.347 1.672 20 30 CDEDHM CC(C(=O)N[C@@H]1CCCN([O-])C1=O)=C1CCCC1 ZINC000820470647 723077792 /nfs/dbraw/zinc/07/77/92/723077792.db2.gz CSXCODZOCVPTPD-LLVKDONJSA-N -1 3 252.314 1.373 20 30 CDEDHM C=CCOCCOC(=O)c1cc(F)cc2[n-]nnc21 ZINC000815242518 723462622 /nfs/dbraw/zinc/46/26/22/723462622.db2.gz KLSRGTNIKVOSIA-UHFFFAOYSA-N -1 3 265.244 1.456 20 30 CDEDHM C=CCOCCOC(=O)c1cc(F)cc2nn[n-]c21 ZINC000815242518 723462629 /nfs/dbraw/zinc/46/26/29/723462629.db2.gz KLSRGTNIKVOSIA-UHFFFAOYSA-N -1 3 265.244 1.456 20 30 CDEDHM C=CCOCCOC(=O)c1cc(F)cc2n[n-]nc21 ZINC000815242518 723462634 /nfs/dbraw/zinc/46/26/34/723462634.db2.gz KLSRGTNIKVOSIA-UHFFFAOYSA-N -1 3 265.244 1.456 20 30 CDEDHM Cc1csc([C@@H](C)C(=O)N[C@@H]2CCCN([O-])C2=O)n1 ZINC000854648724 723472797 /nfs/dbraw/zinc/47/27/97/723472797.db2.gz JBGDATAYPYQLKX-DTWKUNHWSA-N -1 3 283.353 1.051 20 30 CDEDHM C#CCN1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001032909545 723507783 /nfs/dbraw/zinc/50/77/83/723507783.db2.gz FOLGFSWBLYZQDE-LBPRGKRZSA-N -1 3 258.321 1.172 20 30 CDEDHM CNC(=S)NN=C(C)c1cc(Cl)ccc1[O-] ZINC000916266238 723691015 /nfs/dbraw/zinc/69/10/15/723691015.db2.gz MJCNMQTWNGTEJJ-UHFFFAOYSA-N -1 3 257.746 1.864 20 30 CDEDHM C#CCCOC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609020516 1164728240 /nfs/dbraw/zinc/72/82/40/1164728240.db2.gz NBSUZTBKDKUJMV-UHFFFAOYSA-N -1 3 256.265 1.355 20 30 CDEDHM C#CCCOC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609020516 1164728250 /nfs/dbraw/zinc/72/82/50/1164728250.db2.gz NBSUZTBKDKUJMV-UHFFFAOYSA-N -1 3 256.265 1.355 20 30 CDEDHM C=C(C)CNC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609051491 1164744863 /nfs/dbraw/zinc/74/48/63/1164744863.db2.gz CLVBEVVLGDBKGM-UHFFFAOYSA-N -1 3 257.297 1.481 20 30 CDEDHM C=C(C)CNC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609051491 1164744866 /nfs/dbraw/zinc/74/48/66/1164744866.db2.gz CLVBEVVLGDBKGM-UHFFFAOYSA-N -1 3 257.297 1.481 20 30 CDEDHM C=C(COc1ccc(-c2nnn[n-]2)cc1F)C(=O)OCC ZINC001609052276 1164743794 /nfs/dbraw/zinc/74/37/94/1164743794.db2.gz VSIPGPAYLCUSIJ-UHFFFAOYSA-N -1 3 292.270 1.504 20 30 CDEDHM C=C(COc1ccc(-c2nn[n-]n2)cc1F)C(=O)OCC ZINC001609052276 1164743800 /nfs/dbraw/zinc/74/38/00/1164743800.db2.gz VSIPGPAYLCUSIJ-UHFFFAOYSA-N -1 3 292.270 1.504 20 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3 256.693 1.086 20 30 CDEDHM CC(C)C[C@@](C)(O)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001183971080 918801037 /nfs/dbraw/zinc/80/10/37/918801037.db2.gz XVJVOVALSKOXKI-CQSZACIVSA-N -1 3 262.309 1.999 20 30 CDEDHM CCN(CC)CCNC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184241181 918973111 /nfs/dbraw/zinc/97/31/11/918973111.db2.gz MKFFPIQYLCKSLT-UHFFFAOYSA-N -1 3 263.361 1.494 20 30 CDEDHM Cc1noc(NC(=O)c2ccccc2-c2nnn[n-]2)c1C#N ZINC001186983287 920252316 /nfs/dbraw/zinc/25/23/16/920252316.db2.gz GMAMIGMIKYUSNL-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM Cc1noc(NC(=O)c2ccccc2-c2nn[n-]n2)c1C#N ZINC001186983287 920252330 /nfs/dbraw/zinc/25/23/30/920252330.db2.gz GMAMIGMIKYUSNL-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM C=CCC1(S(=O)(=O)Nc2cc(=O)[n-]c(C)n2)CC1 ZINC001190772718 922186913 /nfs/dbraw/zinc/18/69/13/922186913.db2.gz JNRRJIHRBIFQCL-UHFFFAOYSA-N -1 3 269.326 1.341 20 30 CDEDHM COc1cc(C#N)c(F)cc1[N-]C(=O)c1ncon1 ZINC001192029692 922882498 /nfs/dbraw/zinc/88/24/98/922882498.db2.gz 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CN(Cc1cccc(-c2nn[n-]n2)c1)C[C@H](C#N)CCC#N ZINC001604814173 1163335618 /nfs/dbraw/zinc/33/56/18/1163335618.db2.gz HXCAMDDEASKDKC-ZDUSSCGKSA-N -1 3 295.350 1.742 20 30 CDEDHM CN(OCC(F)(F)F)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001604826655 1163343346 /nfs/dbraw/zinc/34/33/46/1163343346.db2.gz HNGKBQZBJVGSRR-UHFFFAOYSA-N -1 3 298.228 1.668 20 30 CDEDHM CN(OCC(F)(F)F)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001604826655 1163343351 /nfs/dbraw/zinc/34/33/51/1163343351.db2.gz HNGKBQZBJVGSRR-UHFFFAOYSA-N -1 3 298.228 1.668 20 30 CDEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc(=O)c(O)co2)c1 ZINC000811188487 1163433356 /nfs/dbraw/zinc/43/33/56/1163433356.db2.gz LSLXSWHRBQIRHS-UHFFFAOYSA-N -1 3 287.227 1.280 20 30 CDEDHM COC[C@@H]1CCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001605071682 1163441780 /nfs/dbraw/zinc/44/17/80/1163441780.db2.gz KGUMDJFVVRHKCC-SNVBAGLBSA-N -1 3 284.323 1.211 20 30 CDEDHM COC[C@@H]1CCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001605071682 1163441785 /nfs/dbraw/zinc/44/17/85/1163441785.db2.gz KGUMDJFVVRHKCC-SNVBAGLBSA-N 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295.281 1.885 20 30 CDEDHM N#Cc1ccc(F)c(CNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822830150 606096618 /nfs/dbraw/zinc/09/66/18/606096618.db2.gz VVFFCSRNHNILTM-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC001602777875 1175397786 /nfs/dbraw/zinc/39/77/86/1175397786.db2.gz HMAAAFZYBLEMMX-NSHDSACASA-N -1 3 266.341 1.174 20 30 CDEDHM C#CCCCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819693426 606358970 /nfs/dbraw/zinc/35/89/70/606358970.db2.gz RSPPYOCCINAFGB-UHFFFAOYSA-N -1 3 288.286 1.541 20 30 CDEDHM C#CCCCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819693426 606358972 /nfs/dbraw/zinc/35/89/72/606358972.db2.gz RSPPYOCCINAFGB-UHFFFAOYSA-N -1 3 288.286 1.541 20 30 CDEDHM C#CCCCCNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000819692460 606955295 /nfs/dbraw/zinc/95/52/95/606955295.db2.gz GJIOJVQZILAQIP-UHFFFAOYSA-N -1 3 299.334 1.165 20 30 CDEDHM C#CCCCCNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000819692460 606955297 /nfs/dbraw/zinc/95/52/97/606955297.db2.gz GJIOJVQZILAQIP-UHFFFAOYSA-N -1 3 299.334 1.165 20 30 CDEDHM C=CCOCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819751593 607082105 /nfs/dbraw/zinc/08/21/05/607082105.db2.gz XKZPMNAPXBLXCK-UHFFFAOYSA-N -1 3 292.270 1.252 20 30 CDEDHM C=CCOCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819751593 607082106 /nfs/dbraw/zinc/08/21/06/607082106.db2.gz XKZPMNAPXBLXCK-UHFFFAOYSA-N -1 3 292.270 1.252 20 30 CDEDHM Fc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)nc1 ZINC000826375531 607888586 /nfs/dbraw/zinc/88/85/86/607888586.db2.gz RGCZWTQNXQTMRS-UHFFFAOYSA-N -1 3 283.270 1.847 20 30 CDEDHM C[C@H](Nc1ccc(C#N)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824655039 608396818 /nfs/dbraw/zinc/39/68/18/608396818.db2.gz AVHVIFGONWHKGA-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@H](Nc1ccc(C#N)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824655039 608396819 /nfs/dbraw/zinc/39/68/19/608396819.db2.gz AVHVIFGONWHKGA-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc[nH]2)n1 ZINC000826350060 608537415 /nfs/dbraw/zinc/53/74/15/608537415.db2.gz 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/nfs/dbraw/zinc/51/85/79/609518579.db2.gz NHXWRHROPPTCFB-ZYHUDNBSSA-N -1 3 286.339 1.358 20 30 CDEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCC#N ZINC000826305448 609589211 /nfs/dbraw/zinc/58/92/11/609589211.db2.gz WULXSFQVWDINTK-UHFFFAOYSA-N -1 3 293.334 1.861 20 30 CDEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCCC#N ZINC000826305448 609589212 /nfs/dbraw/zinc/58/92/12/609589212.db2.gz WULXSFQVWDINTK-UHFFFAOYSA-N -1 3 293.334 1.861 20 30 CDEDHM N#C[C@]1(C(=O)N2CCCc3c(=O)[n-]cnc32)CC12CCCC2 ZINC000893204230 617461152 /nfs/dbraw/zinc/46/11/52/617461152.db2.gz HKLQHQRLDLNQNT-INIZCTEOSA-N -1 3 298.346 1.935 20 30 CDEDHM CC(C)(CC(=O)N[C@H]1CCCN([O-])C1=O)C1CC1 ZINC000848131681 617901865 /nfs/dbraw/zinc/90/18/65/617901865.db2.gz JBZGONNJLMCUMR-JTQLQIEISA-N -1 3 254.330 1.309 20 30 CDEDHM C#CCn1ccc(CN(CC)c2cc(=O)[n-]cn2)n1 ZINC000893564021 618128752 /nfs/dbraw/zinc/12/87/52/618128752.db2.gz MIPZPXWGAIMMJJ-UHFFFAOYSA-N -1 3 257.297 1.038 20 30 CDEDHM N#CCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826381247 618592270 /nfs/dbraw/zinc/59/22/70/618592270.db2.gz DBTKPDXFPROISV-UHFFFAOYSA-N -1 3 273.256 1.491 20 30 CDEDHM N#CCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826381247 618592281 /nfs/dbraw/zinc/59/22/81/618592281.db2.gz DBTKPDXFPROISV-UHFFFAOYSA-N -1 3 273.256 1.491 20 30 CDEDHM C=CCCC[C@H](NC(=O)[C@H]1CCCN1C(C)C)C(=O)[O-] ZINC000910922907 618602160 /nfs/dbraw/zinc/60/21/60/618602160.db2.gz ORTCHWBOMVDZIR-QWHCGFSZSA-N -1 3 282.384 1.785 20 30 CDEDHM COc1cc(F)cc(CN[C@@H]2CCCN([O-])C2=O)c1 ZINC000895157890 619373205 /nfs/dbraw/zinc/37/32/05/619373205.db2.gz FWCIZBFMERAKOW-GFCCVEGCSA-N -1 3 268.288 1.304 20 30 CDEDHM O=C1[C@H](NCc2ccnc(Cl)c2F)CCCN1[O-] ZINC000895158503 619375436 /nfs/dbraw/zinc/37/54/36/619375436.db2.gz KTGPQMZPAQTXMG-MRVPVSSYSA-N -1 3 273.695 1.344 20 30 CDEDHM COCC[C@H](C)C/N=C/c1c([O-])c(C)ncc1CO ZINC000840708972 620304343 /nfs/dbraw/zinc/30/43/43/620304343.db2.gz ADPZFFUPIWKEIV-CYANDVJASA-N -1 3 266.341 1.679 20 30 CDEDHM CC#CCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000897167863 620399380 /nfs/dbraw/zinc/39/93/80/620399380.db2.gz UVJXOQUZVIUENB-UHFFFAOYSA-N -1 3 264.281 1.764 20 30 CDEDHM C=CCCC[C@H](N)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000900454767 623080328 /nfs/dbraw/zinc/08/03/28/623080328.db2.gz UCPMNNKOLHUGDQ-NEPJUHHUSA-N -1 3 268.357 1.383 20 30 CDEDHM C=CCCC[C@H](N)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000900456591 623082659 /nfs/dbraw/zinc/08/26/59/623082659.db2.gz KGLCTBXCPDFPDK-NSHDSACASA-N -1 3 268.357 1.574 20 30 CDEDHM CCCCN([O-])C(=O)C1CCN(c2cnccn2)CC1 ZINC000904208943 626213358 /nfs/dbraw/zinc/21/33/58/626213358.db2.gz NJDUBOVDFYZFHB-UHFFFAOYSA-N -1 3 278.356 1.711 20 30 CDEDHM CCCCN([O-])C(=O)c1cc2n(n1)CCCC2=O ZINC000904216164 626221822 /nfs/dbraw/zinc/22/18/22/626221822.db2.gz YLQXZAZEVLEVHC-UHFFFAOYSA-N -1 3 251.286 1.491 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000904214902 626227279 /nfs/dbraw/zinc/22/72/79/626227279.db2.gz RCAYHXJSEYFYMC-QJPTWQEYSA-N -1 3 268.357 1.699 20 30 CDEDHM C=CCN(CC(=O)[O-])C(=O)NC1CCN(CC(=C)C)CC1 ZINC000908945558 628427071 /nfs/dbraw/zinc/42/70/71/628427071.db2.gz JCXWOBHQUOQDAZ-UHFFFAOYSA-N -1 3 295.383 1.309 20 30 CDEDHM COc1ccc(C=Nn2c(C)cc(C)c(C#N)c2=O)c([O-])c1 ZINC000914693720 631546451 /nfs/dbraw/zinc/54/64/51/631546451.db2.gz MHJJHQFMOMGUFG-UHFFFAOYSA-N -1 3 297.314 1.933 20 30 CDEDHM C[C@H](NCc1nc(C#N)cs1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001604348399 1163161824 /nfs/dbraw/zinc/16/18/24/1163161824.db2.gz GBBMRRBEPVFECP-XVYDVKMFSA-N -1 3 251.311 1.214 20 30 CDEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)[C@H](C)CC#N)s1 ZINC001604506493 1163211154 /nfs/dbraw/zinc/21/11/54/1163211154.db2.gz AHJMUUHNJQRWMD-SSDOTTSWSA-N -1 3 290.352 1.979 20 30 CDEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)[C@H](C)CC#N)s1 ZINC001604506493 1163211161 /nfs/dbraw/zinc/21/11/61/1163211161.db2.gz AHJMUUHNJQRWMD-SSDOTTSWSA-N -1 3 290.352 1.979 20 30 CDEDHM N#CC1(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001606343961 1163868403 /nfs/dbraw/zinc/86/84/03/1163868403.db2.gz CTTRLPRYFZCMNR-UHFFFAOYSA-N -1 3 296.334 1.362 20 30 CDEDHM N#CC1(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001606343961 1163868413 /nfs/dbraw/zinc/86/84/13/1163868413.db2.gz CTTRLPRYFZCMNR-UHFFFAOYSA-N -1 3 296.334 1.362 20 30 CDEDHM N#C[C@@]1(F)CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001606344996 1163869301 /nfs/dbraw/zinc/86/93/01/1163869301.db2.gz WSRLCSICMKBONW-LBPRGKRZSA-N -1 3 292.705 1.962 20 30 CDEDHM N#CC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCC1 ZINC001606342860 1163869361 /nfs/dbraw/zinc/86/93/61/1163869361.db2.gz DUKCVKDBWMJLMH-UHFFFAOYSA-N -1 3 299.294 1.881 20 30 CDEDHM N#CC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCC1 ZINC001606342860 1163869365 /nfs/dbraw/zinc/86/93/65/1163869365.db2.gz DUKCVKDBWMJLMH-UHFFFAOYSA-N -1 3 299.294 1.881 20 30 CDEDHM O[C@@H]1CCC[C@H]1NN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001607108003 1164087532 /nfs/dbraw/zinc/08/75/32/1164087532.db2.gz KPDMWODLMDIASS-ZIAGYGMSSA-N -1 3 298.350 1.020 20 30 CDEDHM O[C@@H]1CCC[C@H]1NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001607108003 1164087539 /nfs/dbraw/zinc/08/75/39/1164087539.db2.gz KPDMWODLMDIASS-ZIAGYGMSSA-N -1 3 298.350 1.020 20 30 CDEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CC2(CC2)C1 ZINC001607115698 1164095681 /nfs/dbraw/zinc/09/56/81/1164095681.db2.gz VGHPRDBHKIZJCX-UHFFFAOYSA-N -1 3 268.324 1.886 20 30 CDEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CC2(CC2)C1 ZINC001607115698 1164095688 /nfs/dbraw/zinc/09/56/88/1164095688.db2.gz VGHPRDBHKIZJCX-UHFFFAOYSA-N -1 3 268.324 1.886 20 30 CDEDHM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H](C)N1C ZINC001607474517 1164194833 /nfs/dbraw/zinc/19/48/33/1164194833.db2.gz FTLVWGZIQPZMQG-ZOWXZIJZSA-N -1 3 287.363 1.708 20 30 CDEDHM CC1(C#N)CN(CCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609141777 1164788954 /nfs/dbraw/zinc/78/89/54/1164788954.db2.gz AQVPUPCGIFDDKH-UHFFFAOYSA-N -1 3 284.323 1.091 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1cscc1-c1nnn[n-]1 ZINC001609221651 1164850620 /nfs/dbraw/zinc/85/06/20/1164850620.db2.gz NERHLLRSZGONJF-QMMMGPOBSA-N -1 3 290.352 1.550 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1cscc1-c1nn[n-]n1 ZINC001609221651 1164850627 /nfs/dbraw/zinc/85/06/27/1164850627.db2.gz NERHLLRSZGONJF-QMMMGPOBSA-N -1 3 290.352 1.550 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1Cn1cc(C#N)cn1 ZINC001609388756 1164923512 /nfs/dbraw/zinc/92/35/12/1164923512.db2.gz KQDZFJBQSWRQBO-UHFFFAOYSA-N -1 3 265.280 1.292 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1Cn1cc(C#N)cn1 ZINC001609388756 1164923516 /nfs/dbraw/zinc/92/35/16/1164923516.db2.gz KQDZFJBQSWRQBO-UHFFFAOYSA-N -1 3 265.280 1.292 20 30 CDEDHM C#CC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588335248 1173039291 /nfs/dbraw/zinc/03/92/91/1173039291.db2.gz DZAZYCVTXSXVPK-JTQLQIEISA-N -1 3 284.323 1.070 20 30 CDEDHM C#CC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588335248 1173039297 /nfs/dbraw/zinc/03/92/97/1173039297.db2.gz DZAZYCVTXSXVPK-JTQLQIEISA-N -1 3 284.323 1.070 20 30 CDEDHM C#C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588365455 1173052617 /nfs/dbraw/zinc/05/26/17/1173052617.db2.gz URXRQLIYUFFQQY-YEORSEQZSA-N -1 3 295.346 1.789 20 30 CDEDHM C#C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588365455 1173052626 /nfs/dbraw/zinc/05/26/26/1173052626.db2.gz URXRQLIYUFFQQY-YEORSEQZSA-N -1 3 295.346 1.789 20 30 CDEDHM C=C1CN(C(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001588463040 1173065647 /nfs/dbraw/zinc/06/56/47/1173065647.db2.gz XPYNNQODSYQBSL-UHFFFAOYSA-N -1 3 286.295 1.279 20 30 CDEDHM C=C1CN(C(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001588463040 1173065653 /nfs/dbraw/zinc/06/56/53/1173065653.db2.gz XPYNNQODSYQBSL-UHFFFAOYSA-N -1 3 286.295 1.279 20 30 CDEDHM C=C1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588462485 1173065953 /nfs/dbraw/zinc/06/59/53/1173065953.db2.gz IQUVMVSRFYGTAH-UHFFFAOYSA-N -1 3 290.714 1.924 20 30 CDEDHM C=C1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588462485 1173065960 /nfs/dbraw/zinc/06/59/60/1173065960.db2.gz IQUVMVSRFYGTAH-UHFFFAOYSA-N -1 3 290.714 1.924 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC001588527917 1173074672 /nfs/dbraw/zinc/07/46/72/1173074672.db2.gz ZFOJHTZXWDJVOQ-LLVKDONJSA-N -1 3 286.339 1.386 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC001588527917 1173074680 /nfs/dbraw/zinc/07/46/80/1173074680.db2.gz ZFOJHTZXWDJVOQ-LLVKDONJSA-N -1 3 286.339 1.386 20 30 CDEDHM C=CCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001588557003 1173079747 /nfs/dbraw/zinc/07/97/47/1173079747.db2.gz GXXVDDTWGLFQKO-UHFFFAOYSA-N -1 3 286.339 1.814 20 30 CDEDHM C=CCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001588557003 1173079752 /nfs/dbraw/zinc/07/97/52/1173079752.db2.gz GXXVDDTWGLFQKO-UHFFFAOYSA-N -1 3 286.339 1.814 20 30 CDEDHM C=CC[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588563786 1173083573 /nfs/dbraw/zinc/08/35/73/1173083573.db2.gz BEIIYTPQDUTIAB-JTQLQIEISA-N -1 3 299.338 1.692 20 30 CDEDHM C=CC[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588563786 1173083582 /nfs/dbraw/zinc/08/35/82/1173083582.db2.gz BEIIYTPQDUTIAB-JTQLQIEISA-N -1 3 299.338 1.692 20 30 CDEDHM C=CCN(C)C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588626183 1173090743 /nfs/dbraw/zinc/09/07/43/1173090743.db2.gz DSYPBAAMIFWMSS-LLVKDONJSA-N -1 3 285.351 1.690 20 30 CDEDHM C=CCN(C)C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588626183 1173090746 /nfs/dbraw/zinc/09/07/46/1173090746.db2.gz DSYPBAAMIFWMSS-LLVKDONJSA-N -1 3 285.351 1.690 20 30 CDEDHM C=CCONC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001588688762 1173100276 /nfs/dbraw/zinc/10/02/76/1173100276.db2.gz AAEHPXUNWGSXPB-UHFFFAOYSA-N -1 3 296.237 1.384 20 30 CDEDHM C=CCONC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588688762 1173100282 /nfs/dbraw/zinc/10/02/82/1173100282.db2.gz AAEHPXUNWGSXPB-UHFFFAOYSA-N -1 3 296.237 1.384 20 30 CDEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cscc1-c1nnn[n-]1 ZINC001589086027 1173123020 /nfs/dbraw/zinc/12/30/20/1173123020.db2.gz PDSBXSROPLWJJK-VIFPVBQESA-N -1 3 290.352 1.596 20 30 CDEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cscc1-c1nn[n-]n1 ZINC001589086027 1173123022 /nfs/dbraw/zinc/12/30/22/1173123022.db2.gz PDSBXSROPLWJJK-VIFPVBQESA-N -1 3 290.352 1.596 20 30 CDEDHM CC(C)(CCC#N)CNC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001589272211 1173132137 /nfs/dbraw/zinc/13/21/37/1173132137.db2.gz HTNPFHPODGFJES-UHFFFAOYSA-N -1 3 299.338 1.321 20 30 CDEDHM CC(C)(CCC#N)CNC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001589272211 1173132145 /nfs/dbraw/zinc/13/21/45/1173132145.db2.gz HTNPFHPODGFJES-UHFFFAOYSA-N -1 3 299.338 1.321 20 30 CDEDHM C[C@@H](NC(=O)C#CC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589912130 1173204678 /nfs/dbraw/zinc/20/46/78/1173204678.db2.gz FUJNPUNCFJRKDA-SNVBAGLBSA-N -1 3 281.319 1.457 20 30 CDEDHM C[C@@H](NC(=O)C#CC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589912130 1173204684 /nfs/dbraw/zinc/20/46/84/1173204684.db2.gz FUJNPUNCFJRKDA-SNVBAGLBSA-N -1 3 281.319 1.457 20 30 CDEDHM C[C@@H](NC(=O)[C@@H]1C[C@@H]1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589938357 1173205201 /nfs/dbraw/zinc/20/52/01/1173205201.db2.gz YNWRVIIFPQVUFA-GGZOMVNGSA-N -1 3 282.307 1.204 20 30 CDEDHM C[C@@H](NC(=O)[C@@H]1C[C@@H]1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589938357 1173205208 /nfs/dbraw/zinc/20/52/08/1173205208.db2.gz YNWRVIIFPQVUFA-GGZOMVNGSA-N -1 3 282.307 1.204 20 30 CDEDHM C[C@H](NC(=O)CCCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589921579 1173206947 /nfs/dbraw/zinc/20/69/47/1173206947.db2.gz FEWACPXTRMIIIW-JTQLQIEISA-N -1 3 284.323 1.738 20 30 CDEDHM C[C@H](NC(=O)CCCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589921579 1173206948 /nfs/dbraw/zinc/20/69/48/1173206948.db2.gz FEWACPXTRMIIIW-JTQLQIEISA-N -1 3 284.323 1.738 20 30 CDEDHM C[C@@]1(C#N)CCN(c2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC001590056359 1173243777 /nfs/dbraw/zinc/24/37/77/1173243777.db2.gz IDYFSWFHVQIWOE-AWEZNQCLSA-N -1 3 294.322 1.254 20 30 CDEDHM C[C@@]1(C#N)CCN(c2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC001590056359 1173243778 /nfs/dbraw/zinc/24/37/78/1173243778.db2.gz IDYFSWFHVQIWOE-AWEZNQCLSA-N -1 3 294.322 1.254 20 30 CDEDHM C[C@]1(C#N)CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590056997 1173244035 /nfs/dbraw/zinc/24/40/35/1173244035.db2.gz WCEJOBIVMVUHKC-CYBMUJFWSA-N -1 3 299.294 1.515 20 30 CDEDHM C[C@]1(C#N)CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590056997 1173244039 /nfs/dbraw/zinc/24/40/39/1173244039.db2.gz WCEJOBIVMVUHKC-CYBMUJFWSA-N -1 3 299.294 1.515 20 30 CDEDHM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cn[nH]c1 ZINC001590359123 1173373557 /nfs/dbraw/zinc/37/35/57/1173373557.db2.gz OHMIKUPJYZHONQ-UHFFFAOYSA-N -1 3 296.338 1.494 20 30 CDEDHM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cn[nH]c1 ZINC001590359123 1173373564 /nfs/dbraw/zinc/37/35/64/1173373564.db2.gz OHMIKUPJYZHONQ-UHFFFAOYSA-N -1 3 296.338 1.494 20 30 CDEDHM CCC(C#N)(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001590367412 1173378510 /nfs/dbraw/zinc/37/85/10/1173378510.db2.gz QTJWGCVSNHOIDQ-UHFFFAOYSA-N -1 3 285.311 1.530 20 30 CDEDHM CCC(C#N)(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001590367412 1173378514 /nfs/dbraw/zinc/37/85/14/1173378514.db2.gz QTJWGCVSNHOIDQ-UHFFFAOYSA-N -1 3 285.311 1.530 20 30 CDEDHM CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590371599 1173379753 /nfs/dbraw/zinc/37/97/53/1173379753.db2.gz FFQRTFTYSJLASZ-ZUZCIYMTSA-N -1 3 298.350 1.984 20 30 CDEDHM CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590371599 1173379756 /nfs/dbraw/zinc/37/97/56/1173379756.db2.gz FFQRTFTYSJLASZ-ZUZCIYMTSA-N -1 3 298.350 1.984 20 30 CDEDHM CC[C@@H](CC#N)NCCOc1ccccc1-c1nnn[n-]1 ZINC001590420202 1173401842 /nfs/dbraw/zinc/40/18/42/1173401842.db2.gz USQVXAWDJTYMNV-NSHDSACASA-N -1 3 286.339 1.527 20 30 CDEDHM CCc1noc(C)c1Cn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001590935934 1173546542 /nfs/dbraw/zinc/54/65/42/1173546542.db2.gz FINVASPNVQFYKN-UHFFFAOYSA-N -1 3 298.310 1.150 20 30 CDEDHM CCc1noc(C)c1Cn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001590935934 1173546547 /nfs/dbraw/zinc/54/65/47/1173546547.db2.gz FINVASPNVQFYKN-UHFFFAOYSA-N -1 3 298.310 1.150 20 30 CDEDHM COc1cc(CN2CCC[C@H](C#N)C2)ccc1-c1nnn[n-]1 ZINC001591526850 1173665547 /nfs/dbraw/zinc/66/55/47/1173665547.db2.gz VBPSTCWEAJMZLP-GFCCVEGCSA-N -1 3 298.350 1.611 20 30 CDEDHM COc1cc(CN2CCC[C@H](C#N)C2)ccc1-c1nn[n-]n1 ZINC001591526850 1173665551 /nfs/dbraw/zinc/66/55/51/1173665551.db2.gz VBPSTCWEAJMZLP-GFCCVEGCSA-N -1 3 298.350 1.611 20 30 CDEDHM COc1ccc(NC(=O)C#CC(C)(C)C)cc1-c1nnn[n-]1 ZINC001591607480 1173673596 /nfs/dbraw/zinc/67/35/96/1173673596.db2.gz NHUZOIHGPSTMDG-UHFFFAOYSA-N -1 3 299.334 1.863 20 30 CDEDHM COc1ccc(NC(=O)C#CC(C)(C)C)cc1-c1nn[n-]n1 ZINC001591607480 1173673599 /nfs/dbraw/zinc/67/35/99/1173673599.db2.gz NHUZOIHGPSTMDG-UHFFFAOYSA-N -1 3 299.334 1.863 20 30 CDEDHM Cc1ccc(CNC(=O)C2(C#N)CCC2)cc1-c1nnn[n-]1 ZINC001592156034 1173815469 /nfs/dbraw/zinc/81/54/69/1173815469.db2.gz KUKUGJPPYWOVMD-UHFFFAOYSA-N -1 3 296.334 1.485 20 30 CDEDHM Cc1ccc(CNC(=O)C2(C#N)CCC2)cc1-c1nn[n-]n1 ZINC001592156034 1173815484 /nfs/dbraw/zinc/81/54/84/1173815484.db2.gz KUKUGJPPYWOVMD-UHFFFAOYSA-N -1 3 296.334 1.485 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C/C=C/c1ccccc1 ZINC001592341050 1173861600 /nfs/dbraw/zinc/86/16/00/1173861600.db2.gz PARSAVOZXLGVAH-VMPITWQZSA-N -1 3 291.318 1.957 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C/C=C/c1ccccc1 ZINC001592341050 1173861605 /nfs/dbraw/zinc/86/16/05/1173861605.db2.gz PARSAVOZXLGVAH-VMPITWQZSA-N -1 3 291.318 1.957 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC1CC(F)(F)C1 ZINC001592340921 1173862424 /nfs/dbraw/zinc/86/24/24/1173862424.db2.gz LXTHYVVDHAOSCY-UHFFFAOYSA-N -1 3 279.254 1.289 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC1CC(F)(F)C1 ZINC001592340921 1173862429 /nfs/dbraw/zinc/86/24/29/1173862429.db2.gz LXTHYVVDHAOSCY-UHFFFAOYSA-N -1 3 279.254 1.289 20 30 CDEDHM N#C[C@@]1(F)CCN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001592670672 1173960721 /nfs/dbraw/zinc/96/07/21/1173960721.db2.gz KIBBUHDMHANBMJ-ZDUSSCGKSA-N -1 3 290.277 1.443 20 30 CDEDHM N#C[C@@]1(F)CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001592670672 1173960725 /nfs/dbraw/zinc/96/07/25/1173960725.db2.gz KIBBUHDMHANBMJ-ZDUSSCGKSA-N -1 3 290.277 1.443 20 30 CDEDHM N#CC1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CC1 ZINC001592672462 1173962127 /nfs/dbraw/zinc/96/21/27/1173962127.db2.gz JAFVOLAVVZVZPU-UHFFFAOYSA-N -1 3 299.294 1.515 20 30 CDEDHM N#CC1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CC1 ZINC001592672462 1173962130 /nfs/dbraw/zinc/96/21/30/1173962130.db2.gz JAFVOLAVVZVZPU-UHFFFAOYSA-N -1 3 299.294 1.515 20 30 CDEDHM N#CCCOCCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592677890 1173969432 /nfs/dbraw/zinc/96/94/32/1173969432.db2.gz ITLPOBDZTQXBHK-UHFFFAOYSA-N -1 3 277.259 1.315 20 30 CDEDHM N#CCCOCCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592677890 1173969433 /nfs/dbraw/zinc/96/94/33/1173969433.db2.gz ITLPOBDZTQXBHK-UHFFFAOYSA-N -1 3 277.259 1.315 20 30 CDEDHM N#C[C@H]1CC[C@@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001592680945 1173969763 /nfs/dbraw/zinc/96/97/63/1173969763.db2.gz BJPHUFMISJTOPM-WCBMZHEXSA-N -1 3 299.294 1.879 20 30 CDEDHM N#C[C@H]1CC[C@@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001592680945 1173969768 /nfs/dbraw/zinc/96/97/68/1173969768.db2.gz BJPHUFMISJTOPM-WCBMZHEXSA-N -1 3 299.294 1.879 20 30 CDEDHM N#Cc1cccc(OCc2ncc(-c3nnn[n-]3)cn2)c1 ZINC001592700504 1173973900 /nfs/dbraw/zinc/97/39/00/1173973900.db2.gz XLISMSYHBWCGQK-UHFFFAOYSA-N -1 3 279.263 1.107 20 30 CDEDHM N#Cc1cccc(OCc2ncc(-c3nn[n-]n3)cn2)c1 ZINC001592700504 1173973907 /nfs/dbraw/zinc/97/39/07/1173973907.db2.gz XLISMSYHBWCGQK-UHFFFAOYSA-N -1 3 279.263 1.107 20 30 CDEDHM N#Cc1cnn(CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592704089 1173976819 /nfs/dbraw/zinc/97/68/19/1173976819.db2.gz SKUOOHVHWDVMBZ-UHFFFAOYSA-N -1 3 265.280 1.178 20 30 CDEDHM N#Cc1cnn(CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592704089 1173976823 /nfs/dbraw/zinc/97/68/23/1173976823.db2.gz SKUOOHVHWDVMBZ-UHFFFAOYSA-N -1 3 265.280 1.178 20 30 CDEDHM O=C(C=Cc1cnccn1)c1cccc(-c2nnn[n-]2)c1 ZINC001592802605 1173991600 /nfs/dbraw/zinc/99/16/00/1173991600.db2.gz DYWWFBXWDDNEKB-SNAWJCMRSA-N -1 3 278.275 1.553 20 30 CDEDHM O=C(C=Cc1cnccn1)c1cccc(-c2nn[n-]n2)c1 ZINC001592802605 1173991603 /nfs/dbraw/zinc/99/16/03/1173991603.db2.gz DYWWFBXWDDNEKB-SNAWJCMRSA-N -1 3 278.275 1.553 20 30 CDEDHM O=C(C=Cc1csnn1)c1ccccc1-c1nnn[n-]1 ZINC001592804418 1173991964 /nfs/dbraw/zinc/99/19/64/1173991964.db2.gz YUWVYNHABFQSBL-AATRIKPKSA-N -1 3 284.304 1.614 20 30 CDEDHM O=C(C=Cc1csnn1)c1ccccc1-c1nn[n-]n1 ZINC001592804418 1173991968 /nfs/dbraw/zinc/99/19/68/1173991968.db2.gz YUWVYNHABFQSBL-AATRIKPKSA-N -1 3 284.304 1.614 20 30 CDEDHM N#CC(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccccn1 ZINC001601047392 1174713633 /nfs/dbraw/zinc/71/36/33/1174713633.db2.gz ORZOGFJMJHHUOU-QJPTWQEYSA-N -1 3 288.303 1.528 20 30 CDEDHM C#C[C@@H](C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602690680 1175353368 /nfs/dbraw/zinc/35/33/68/1175353368.db2.gz YNWAVCAQHKXOTE-SNVBAGLBSA-N -1 3 296.334 1.177 20 30 CDEDHM C#C[C@@H](C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602690680 1175353376 /nfs/dbraw/zinc/35/33/76/1175353376.db2.gz YNWAVCAQHKXOTE-SNVBAGLBSA-N -1 3 296.334 1.177 20 30 CDEDHM C#CCN(Cc1ccc(-c2nnn[n-]2)cc1OC)C1CC1 ZINC001602718121 1175371472 /nfs/dbraw/zinc/37/14/72/1175371472.db2.gz NLSXDRAQUJBXAN-UHFFFAOYSA-N -1 3 283.335 1.473 20 30 CDEDHM C#CCN(Cc1ccc(-c2nn[n-]n2)cc1OC)C1CC1 ZINC001602718121 1175371477 /nfs/dbraw/zinc/37/14/77/1175371477.db2.gz NLSXDRAQUJBXAN-UHFFFAOYSA-N -1 3 283.335 1.473 20 30 CDEDHM C#CCN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001602720089 1175373246 /nfs/dbraw/zinc/37/32/46/1175373246.db2.gz NJOTVUYSIADKSS-UHFFFAOYSA-N -1 3 298.350 1.149 20 30 CDEDHM C#CCN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001602720089 1175373250 /nfs/dbraw/zinc/37/32/50/1175373250.db2.gz NJOTVUYSIADKSS-UHFFFAOYSA-N -1 3 298.350 1.149 20 30 CDEDHM C=C(C)C[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602754025 1175387471 /nfs/dbraw/zinc/38/74/71/1175387471.db2.gz XISMPVBJQHBPOK-JTQLQIEISA-N -1 3 260.301 1.001 20 30 CDEDHM C=C(C)C[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602754025 1175387475 /nfs/dbraw/zinc/38/74/75/1175387475.db2.gz XISMPVBJQHBPOK-JTQLQIEISA-N -1 3 260.301 1.001 20 30 CDEDHM C=CC(C)(C)NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602786791 1175400487 /nfs/dbraw/zinc/40/04/87/1175400487.db2.gz JAWMBMOCZKKVGV-UHFFFAOYSA-N -1 3 287.327 1.656 20 30 CDEDHM C=CC(C)(C)NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602786791 1175400489 /nfs/dbraw/zinc/40/04/89/1175400489.db2.gz JAWMBMOCZKKVGV-UHFFFAOYSA-N -1 3 287.327 1.656 20 30 CDEDHM CC(=O)C1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001602995301 1175474344 /nfs/dbraw/zinc/47/43/44/1175474344.db2.gz QJPOMZKSILLZCC-HNNXBMFYSA-N -1 3 286.331 1.985 20 30 CDEDHM C[C@@H](CC#N)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603443275 1175553882 /nfs/dbraw/zinc/55/38/82/1175553882.db2.gz RZSXVPDGURULGB-ZETCQYMHSA-N -1 3 273.256 1.489 20 30 CDEDHM C[C@H]1OCC(N=Nc2ccc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001603953595 1175696611 /nfs/dbraw/zinc/69/66/11/1175696611.db2.gz JTCGWPZIAKSTMU-HTQZYQBOSA-N -1 3 273.300 1.084 20 30 CDEDHM C[C@H]1OCC(N=Nc2ccc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001603953595 1175696613 /nfs/dbraw/zinc/69/66/13/1175696613.db2.gz JTCGWPZIAKSTMU-HTQZYQBOSA-N -1 3 273.300 1.084 20 30 CDEDHM C=C(Cl)CN[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001713303563 1178482783 /nfs/dbraw/zinc/48/27/83/1178482783.db2.gz CIWWUGBRWSVMAT-SECBINFHSA-N -1 3 269.732 1.248 20 30 CDEDHM c1nc2c(cc1-c1nnn[n-]1)CCCC2=NN1CCC1 ZINC001607138876 1164120656 /nfs/dbraw/zinc/12/06/56/1164120656.db2.gz NCCAMDCUUDDIFW-UHFFFAOYSA-N -1 3 269.312 1.008 20 30 CDEDHM c1nc2c(cc1-c1nn[n-]n1)CCCC2=NN1CCC1 ZINC001607138876 1164120659 /nfs/dbraw/zinc/12/06/59/1164120659.db2.gz NCCAMDCUUDDIFW-UHFFFAOYSA-N -1 3 269.312 1.008 20 30 CDEDHM Cn1cc(S(=O)(=O)[N-]CC(C)(C)CC#N)nc1Cl ZINC000841542075 728761797 /nfs/dbraw/zinc/76/17/97/728761797.db2.gz DSJIAFGWPIQJBC-UHFFFAOYSA-N -1 3 290.776 1.292 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000848130531 728820676 /nfs/dbraw/zinc/82/06/76/728820676.db2.gz LKTYVIKKAFRUGH-YNEHKIRRSA-N -1 3 280.368 1.699 20 30 CDEDHM N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001049338784 728846977 /nfs/dbraw/zinc/84/69/77/728846977.db2.gz IUPCHOCQWKVRCE-UONOGXRCSA-N -1 3 285.347 1.595 20 30 CDEDHM Cc1ccc(F)c(OCC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000820483084 728880626 /nfs/dbraw/zinc/88/06/26/728880626.db2.gz YLKOIDBBJNHIRN-NSHDSACASA-N -1 3 296.298 1.009 20 30 CDEDHM O=C(Nc1cccc2c1CCO2)N[C@H]1CCCN([O-])C1=O ZINC000879448839 728902795 /nfs/dbraw/zinc/90/27/95/728902795.db2.gz CRRWPQOBBUBJPK-NSHDSACASA-N -1 3 291.307 1.123 20 30 CDEDHM C[C@H](NC(=O)N[C@@H]1C(=O)N([O-])C[C@@H]1C)c1ccccc1 ZINC001202514556 1164581166 /nfs/dbraw/zinc/58/11/66/1164581166.db2.gz OYYMUBSGRIWWHO-NHCYSSNCSA-N -1 3 277.324 1.283 20 30 CDEDHM CCOc1cc(C=NNC[C@H](C)O)cc(Cl)c1[O-] ZINC000814959992 728402277 /nfs/dbraw/zinc/40/22/77/728402277.db2.gz NBQJBWDSOHZKHM-QMMMGPOBSA-N -1 3 272.732 1.749 20 30 CDEDHM Cc1cccc(F)c1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000879123281 728424639 /nfs/dbraw/zinc/42/46/39/728424639.db2.gz UNGIHTZJVSXNNC-JTQLQIEISA-N -1 3 281.287 1.636 20 30 CDEDHM C[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000790041056 728482540 /nfs/dbraw/zinc/48/25/40/728482540.db2.gz DCIQTVBZMHLAGH-VIFPVBQESA-N -1 3 290.385 1.186 20 30 CDEDHM C=C(Cl)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847510593 728511712 /nfs/dbraw/zinc/51/17/12/728511712.db2.gz ZKZVZDCORADWNU-UHFFFAOYSA-N -1 3 253.689 1.542 20 30 CDEDHM C=CCCO[N-]C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000856029988 728513341 /nfs/dbraw/zinc/51/33/41/728513341.db2.gz LFYYBSAFXOSRQS-ZDUSSCGKSA-N -1 3 295.383 1.538 20 30 CDEDHM C=C(C)CN(CC)c1ncc(-c2nnn[n-]2)cc1F ZINC001609051238 1164744086 /nfs/dbraw/zinc/74/40/86/1164744086.db2.gz SOQXYZYSSYCBIP-UHFFFAOYSA-N -1 3 262.292 1.803 20 30 CDEDHM C=C(C)CN(CC)c1ncc(-c2nn[n-]n2)cc1F ZINC001609051238 1164744092 /nfs/dbraw/zinc/74/40/92/1164744092.db2.gz SOQXYZYSSYCBIP-UHFFFAOYSA-N -1 3 262.292 1.803 20 30 CDEDHM Cc1nc(C(C)C)ccc1Cn1ccc(C=N[O-])nc1=O ZINC000842030904 728569364 /nfs/dbraw/zinc/56/93/64/728569364.db2.gz NOYRYNHDLPPEBG-UHFFFAOYSA-N -1 3 286.335 1.927 20 30 CDEDHM CC1(C)C[C@]1(C(=O)N[C@@H]1CCN([O-])C1=O)c1ccccc1 ZINC000820126351 728586007 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1.773 20 30 CDEDHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)CCC#N ZINC001609138162 1164785508 /nfs/dbraw/zinc/78/55/08/1164785508.db2.gz ATXAHAUTINVCMT-SNVBAGLBSA-N -1 3 256.313 1.773 20 30 CDEDHM C[C@]1(C#N)CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001609142087 1164790571 /nfs/dbraw/zinc/79/05/71/1164790571.db2.gz LLBMNTKDIMISBK-CYBMUJFWSA-N -1 3 287.302 1.531 20 30 CDEDHM C[C@]1(C#N)CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001609142087 1164790578 /nfs/dbraw/zinc/79/05/78/1164790578.db2.gz LLBMNTKDIMISBK-CYBMUJFWSA-N -1 3 287.302 1.531 20 30 CDEDHM FC1(F)CC1=CNNCc1ccc(-c2nnn[n-]2)cc1 ZINC001609486653 1164970109 /nfs/dbraw/zinc/97/01/09/1164970109.db2.gz SVWKMVQVPLMPJC-JTQLQIEISA-N -1 3 278.266 1.597 20 30 CDEDHM FC1(F)CC1=CNNCc1ccc(-c2nn[n-]n2)cc1 ZINC001609486653 1164970113 /nfs/dbraw/zinc/97/01/13/1164970113.db2.gz SVWKMVQVPLMPJC-JTQLQIEISA-N -1 3 278.266 1.597 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1nccs1 ZINC001609499992 1164979069 /nfs/dbraw/zinc/97/90/69/1164979069.db2.gz 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C#CCC(CC#C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588331081 1173034554 /nfs/dbraw/zinc/03/45/54/1173034554.db2.gz JRMSHWMHOUEKLT-UHFFFAOYSA-N -1 3 293.330 1.776 20 30 CDEDHM C#CCC[C@@H](O)CNc1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588336844 1173041076 /nfs/dbraw/zinc/04/10/76/1173041076.db2.gz FZSMNERRUUYHCE-SNVBAGLBSA-N -1 3 289.314 1.500 20 30 CDEDHM C#CCC[C@@H](O)CNc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588336844 1173041086 /nfs/dbraw/zinc/04/10/86/1173041086.db2.gz FZSMNERRUUYHCE-SNVBAGLBSA-N -1 3 289.314 1.500 20 30 CDEDHM C#CCC[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588336927 1173041605 /nfs/dbraw/zinc/04/16/05/1173041605.db2.gz HFJBJLJBXIUARX-JTQLQIEISA-N -1 3 270.292 1.825 20 30 CDEDHM C#CCC[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588336927 1173041614 /nfs/dbraw/zinc/04/16/14/1173041614.db2.gz HFJBJLJBXIUARX-JTQLQIEISA-N -1 3 270.292 1.825 20 30 CDEDHM C#CCN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001588352070 1173050116 /nfs/dbraw/zinc/05/01/16/1173050116.db2.gz 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CC#CCNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602899483 1175445570 /nfs/dbraw/zinc/44/55/70/1175445570.db2.gz ZBWPOHYBGVBHHU-UHFFFAOYSA-N -1 3 281.319 1.038 20 30 CDEDHM CC#CCNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602899483 1175445574 /nfs/dbraw/zinc/44/55/74/1175445574.db2.gz ZBWPOHYBGVBHHU-UHFFFAOYSA-N -1 3 281.319 1.038 20 30 CDEDHM C[C@H](C#N)OCCN(CCC(F)(F)F)CC(=O)[O-] ZINC001603131462 1175497257 /nfs/dbraw/zinc/49/72/57/1175497257.db2.gz DIPAGAVUBIXMJH-MRVPVSSYSA-N -1 3 268.235 1.254 20 30 CDEDHM C[C@H](Nc1cncc(C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001603685860 1175598329 /nfs/dbraw/zinc/59/83/29/1175598329.db2.gz KTLUXOMLRYSFIZ-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@H](Nc1cncc(C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001603685860 1175598331 /nfs/dbraw/zinc/59/83/31/1175598331.db2.gz KTLUXOMLRYSFIZ-VIFPVBQESA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C1CC1 ZINC001603725862 1175609514 /nfs/dbraw/zinc/60/95/14/1175609514.db2.gz 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C#C[C@H](CC)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609018717 1164727044 /nfs/dbraw/zinc/72/70/44/1164727044.db2.gz DMQPPWWMVQQRFP-ZWLSGLHFSA-N -1 3 281.319 1.408 20 30 CDEDHM C#C[C@H](CC)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609018717 1164727049 /nfs/dbraw/zinc/72/70/49/1164727049.db2.gz DMQPPWWMVQQRFP-ZWLSGLHFSA-N -1 3 281.319 1.408 20 30 CDEDHM C#C[C@@H](Nc1nccc(C)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001609020336 1164728714 /nfs/dbraw/zinc/72/87/14/1164728714.db2.gz YSWXTQFWDSQAJR-GHMZBOCLSA-N -1 3 284.323 1.163 20 30 CDEDHM C#C[C@@H](Nc1nccc(C)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001609020336 1164728718 /nfs/dbraw/zinc/72/87/18/1164728718.db2.gz YSWXTQFWDSQAJR-GHMZBOCLSA-N -1 3 284.323 1.163 20 30 CDEDHM C=C(C)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC001609051291 1164744671 /nfs/dbraw/zinc/74/46/71/1164744671.db2.gz VAYATONHCQTPFX-MRVPVSSYSA-N -1 3 261.285 1.327 20 30 CDEDHM C=C(C)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC001609051291 1164744676 /nfs/dbraw/zinc/74/46/76/1164744676.db2.gz VAYATONHCQTPFX-MRVPVSSYSA-N -1 3 261.285 1.327 20 30 CDEDHM C[C@@]1(C#N)CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001609142088 1164790497 /nfs/dbraw/zinc/79/04/97/1164790497.db2.gz LLBMNTKDIMISBK-ZDUSSCGKSA-N -1 3 287.302 1.531 20 30 CDEDHM C[C@@]1(C#N)CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001609142088 1164790504 /nfs/dbraw/zinc/79/05/04/1164790504.db2.gz LLBMNTKDIMISBK-ZDUSSCGKSA-N -1 3 287.302 1.531 20 30 CDEDHM C=C(Br)CN[C@@]1(CC(=O)[O-])CCCOC1 ZINC001609189939 1164830044 /nfs/dbraw/zinc/83/00/44/1164830044.db2.gz LTPZSDAMKPWKPR-SNVBAGLBSA-N -1 3 278.146 1.509 20 30 CDEDHM CN(C[C@@H]1CCOC1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001609274133 1164877364 /nfs/dbraw/zinc/87/73/64/1164877364.db2.gz UEQSZRXGSXYHMJ-JTQLQIEISA-N -1 3 284.323 1.211 20 30 CDEDHM CN(C[C@@H]1CCOC1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001609274133 1164877369 /nfs/dbraw/zinc/87/73/69/1164877369.db2.gz UEQSZRXGSXYHMJ-JTQLQIEISA-N -1 3 284.323 1.211 20 30 CDEDHM C=CCCCCNC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001609329148 1164905006 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C=C(CC)CNC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588442955 1173063135 /nfs/dbraw/zinc/06/31/35/1173063135.db2.gz TWYNDHRJSUANSI-UHFFFAOYSA-N -1 3 297.362 1.981 20 30 CDEDHM C=C(CC)CNC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588442955 1173063140 /nfs/dbraw/zinc/06/31/40/1173063140.db2.gz TWYNDHRJSUANSI-UHFFFAOYSA-N -1 3 297.362 1.981 20 30 CDEDHM C=C(Cl)CNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588449112 1173064510 /nfs/dbraw/zinc/06/45/10/1173064510.db2.gz GPGUYIQTDIFTRZ-UHFFFAOYSA-N -1 3 299.121 1.397 20 30 CDEDHM C=C(Cl)CNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588449112 1173064516 /nfs/dbraw/zinc/06/45/16/1173064516.db2.gz GPGUYIQTDIFTRZ-UHFFFAOYSA-N -1 3 299.121 1.397 20 30 CDEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(-c2nnn[n-]2)ccn1 ZINC001588455713 1173066472 /nfs/dbraw/zinc/06/64/72/1173066472.db2.gz CITTUNCJVVNRPY-TXEJJXNPSA-N -1 3 268.324 1.949 20 30 CDEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(-c2nn[n-]n2)ccn1 ZINC001588455713 1173066476 /nfs/dbraw/zinc/06/64/76/1173066476.db2.gz 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LZOWOBKDUKQLNL-IUCAKERBSA-N -1 3 272.312 1.832 20 30 CDEDHM C[C@H]1OCC(N=Nc2cccc(-c3nnn[n-]3)c2)[C@H]1C ZINC001590334865 1173361999 /nfs/dbraw/zinc/36/19/99/1173361999.db2.gz MNKILIWCPFRSRF-DTWKUNHWSA-N -1 3 272.312 1.689 20 30 CDEDHM C[C@H]1OCC(N=Nc2cccc(-c3nn[n-]n3)c2)[C@H]1C ZINC001590334865 1173362005 /nfs/dbraw/zinc/36/20/05/1173362005.db2.gz MNKILIWCPFRSRF-DTWKUNHWSA-N -1 3 272.312 1.689 20 30 CDEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001590683125 1173490920 /nfs/dbraw/zinc/49/09/20/1173490920.db2.gz WEMCKMMONQSDFS-SECBINFHSA-N -1 3 299.338 1.192 20 30 CDEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001590683125 1173490923 /nfs/dbraw/zinc/49/09/23/1173490923.db2.gz WEMCKMMONQSDFS-SECBINFHSA-N -1 3 299.338 1.192 20 30 CDEDHM CCOCCON=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC001590816309 1173520400 /nfs/dbraw/zinc/52/04/00/1173520400.db2.gz GMIDOBNNEQYMPM-UHFFFAOYSA-N -1 3 293.302 1.783 20 30 CDEDHM CCOCCON=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC001590816309 1173520409 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N#CC1(CNc2cc(-c3nn[n-]n3)ccn2)CCCC1 ZINC001592669408 1173960679 /nfs/dbraw/zinc/96/06/79/1173960679.db2.gz HULTUCDLDZTPEI-UHFFFAOYSA-N -1 3 269.312 1.758 20 30 CDEDHM N#CC[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001592673730 1173966486 /nfs/dbraw/zinc/96/64/86/1173966486.db2.gz LZTJNAFCKSVACU-SECBINFHSA-N -1 3 287.302 1.531 20 30 CDEDHM N#CC[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001592673730 1173966488 /nfs/dbraw/zinc/96/64/88/1173966488.db2.gz LZTJNAFCKSVACU-SECBINFHSA-N -1 3 287.302 1.531 20 30 CDEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC/C=C\Cl ZINC001592685839 1173971996 /nfs/dbraw/zinc/97/19/96/1173971996.db2.gz AREJPNMDKJGLRK-UPHRSURJSA-N -1 3 293.743 1.560 20 30 CDEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC/C=C\Cl ZINC001592685839 1173972003 /nfs/dbraw/zinc/97/20/03/1173972003.db2.gz AREJPNMDKJGLRK-UPHRSURJSA-N -1 3 293.743 1.560 20 30 CDEDHM C#CC[C@@H]1CCCN(c2nnc(C)c(C)c2-c2nnn[n-]2)C1 ZINC001602700540 1175365768 /nfs/dbraw/zinc/36/57/68/1175365768.db2.gz YMAJISIOVWSWKN-GFCCVEGCSA-N -1 3 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C=C[C@@H](C)NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602798899 1175406584 /nfs/dbraw/zinc/40/65/84/1175406584.db2.gz TVRYHEUYMCYWLC-MRVPVSSYSA-N -1 3 273.300 1.266 20 30 CDEDHM C=C[C@@H](C)NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602798899 1175406589 /nfs/dbraw/zinc/40/65/89/1175406589.db2.gz TVRYHEUYMCYWLC-MRVPVSSYSA-N -1 3 273.300 1.266 20 30 CDEDHM C=CCCCCCNC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001602838306 1175427944 /nfs/dbraw/zinc/42/79/44/1175427944.db2.gz SQEVSBWXJCZANQ-UHFFFAOYSA-N -1 3 288.355 1.979 20 30 CDEDHM C=CCN(C)CCN(CC)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001602887201 1175443939 /nfs/dbraw/zinc/44/39/39/1175443939.db2.gz MLRORBUKDYVPKX-UHFFFAOYSA-N -1 3 279.340 1.293 20 30 CDEDHM C=C[C@H](CO)NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001602944910 1175454990 /nfs/dbraw/zinc/45/49/90/1175454990.db2.gz MZGCNHFVJIREDK-CMPLNLGQSA-N -1 3 265.309 1.175 20 30 CDEDHM C[C@]1(C#N)CCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001603737333 1175611749 /nfs/dbraw/zinc/61/17/49/1175611749.db2.gz 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1163882206 /nfs/dbraw/zinc/88/22/06/1163882206.db2.gz OOCGTNNBYWFION-SECBINFHSA-N -1 3 272.337 1.656 20 30 CDEDHM C#CCN1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000383805548 735296937 /nfs/dbraw/zinc/29/69/37/735296937.db2.gz JKCBANXTSNEEDW-UHFFFAOYSA-N -1 3 278.739 1.437 20 30 CDEDHM CC(C)c1ccoc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820476053 735312999 /nfs/dbraw/zinc/31/29/99/735312999.db2.gz GOYOCBLNVDXZHG-JTQLQIEISA-N -1 3 266.297 1.513 20 30 CDEDHM C=CCN(CC(=O)OCC)C(=O)c1ccc(C)cc1[O-] ZINC000110050902 735357310 /nfs/dbraw/zinc/35/73/10/735357310.db2.gz USTBKSYCVGUFKM-UHFFFAOYSA-N -1 3 277.320 1.892 20 30 CDEDHM O=c1nc(C=N[O-])ccn1CCCc1cccc(F)c1 ZINC000778592464 735428335 /nfs/dbraw/zinc/42/83/35/735428335.db2.gz BBFZDRYCYBPXMQ-UHFFFAOYSA-N -1 3 275.283 1.823 20 30 CDEDHM C#CCN(CC#C)Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001609021043 1164728582 /nfs/dbraw/zinc/72/85/82/1164728582.db2.gz ZKUKWIBKIXJQCA-UHFFFAOYSA-N -1 3 285.738 1.589 20 30 CDEDHM C#CCN(CC#C)Cc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001609021043 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CDEDHM N#Cc1cncc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2F)c1 ZINC000339122222 526776996 /nfs/dbraw/zinc/77/69/96/526776996.db2.gz JLOAECRZDBYUHG-GHMZBOCLSA-N -1 3 269.301 1.122 20 30 CDEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000344887036 527486963 /nfs/dbraw/zinc/48/69/63/527486963.db2.gz HWIUXOKFIKWUAJ-UHFFFAOYSA-N -1 3 273.745 1.563 20 30 CDEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000336491705 528908015 /nfs/dbraw/zinc/90/80/15/528908015.db2.gz JYMBXNNDAMBNHQ-JTQLQIEISA-N -1 3 292.282 1.930 20 30 CDEDHM Fc1ccc(NN=Cc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737656401 574513000 /nfs/dbraw/zinc/51/30/00/574513000.db2.gz MDXOKKNSAVSWBB-UHFFFAOYSA-N -1 3 283.270 1.847 20 30 CDEDHM Fc1ccc(NN=Cc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737656401 574513001 /nfs/dbraw/zinc/51/30/01/574513001.db2.gz MDXOKKNSAVSWBB-UHFFFAOYSA-N -1 3 283.270 1.847 20 30 CDEDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccccc1C#N ZINC000730099150 574849924 /nfs/dbraw/zinc/84/99/24/574849924.db2.gz BVEVRDJQDZWPEC-UHFFFAOYSA-N -1 3 263.278 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CDEDHM C=CCN(CC(=O)[O-])Cc1ccc(N(C)CCOC)nc1 ZINC000901585702 624363968 /nfs/dbraw/zinc/36/39/68/624363968.db2.gz BXWRUKIRFOXXAV-UHFFFAOYSA-N -1 3 293.367 1.237 20 30 CDEDHM COC(=O)NCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174744 626210240 /nfs/dbraw/zinc/21/02/40/626210240.db2.gz HKIXZCWMXHOMRL-UHFFFAOYSA-N -1 3 284.287 1.680 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000904208569 626213345 /nfs/dbraw/zinc/21/33/45/626213345.db2.gz AQLVHXNLVUMGBL-NSHDSACASA-N -1 3 292.401 1.066 20 30 CDEDHM CCCCN([O-])C(=O)CCc1nc(CSC)no1 ZINC000904212159 626226485 /nfs/dbraw/zinc/22/64/85/626226485.db2.gz LNMOGQJTEMGOES-UHFFFAOYSA-N -1 3 273.358 1.883 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC000904214903 626227447 /nfs/dbraw/zinc/22/74/47/626227447.db2.gz RCAYHXJSEYFYMC-TUAOUCFPSA-N -1 3 268.357 1.699 20 30 CDEDHM C=CCC[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)C(=O)[O-] ZINC000909717656 628645867 /nfs/dbraw/zinc/64/58/67/628645867.db2.gz JBZQEQSPHVGVLS-TUAOUCFPSA-N -1 3 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LHQPGBSJLZCDTB-UHFFFAOYSA-N -1 3 298.350 1.223 20 30 CDEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)n1C)C1CCCC1 ZINC001588348756 1173048686 /nfs/dbraw/zinc/04/86/86/1173048686.db2.gz LHQPGBSJLZCDTB-UHFFFAOYSA-N -1 3 298.350 1.223 20 30 CDEDHM C#CCSCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588363065 1173054177 /nfs/dbraw/zinc/05/41/77/1173054177.db2.gz IMKBSDDSMKTVIK-UHFFFAOYSA-N -1 3 287.348 1.196 20 30 CDEDHM C#CCSCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588363065 1173054184 /nfs/dbraw/zinc/05/41/84/1173054184.db2.gz IMKBSDDSMKTVIK-UHFFFAOYSA-N -1 3 287.348 1.196 20 30 CDEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC12CC2 ZINC001588381754 1173056070 /nfs/dbraw/zinc/05/60/70/1173056070.db2.gz SRBUBSWGCPAUHD-LBPRGKRZSA-N -1 3 268.324 1.742 20 30 CDEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC12CC2 ZINC001588381754 1173056077 /nfs/dbraw/zinc/05/60/77/1173056077.db2.gz SRBUBSWGCPAUHD-LBPRGKRZSA-N -1 3 268.324 1.742 20 30 CDEDHM C=C(C)CNC(=S)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588430790 1173063714 /nfs/dbraw/zinc/06/37/14/1173063714.db2.gz SWCNKJLPRBDKSR-UHFFFAOYSA-N -1 3 288.380 1.407 20 30 CDEDHM C=C(C)CNC(=S)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588430790 1173063718 /nfs/dbraw/zinc/06/37/18/1173063718.db2.gz SWCNKJLPRBDKSR-UHFFFAOYSA-N -1 3 288.380 1.407 20 30 CDEDHM C=C[C@@H](C)ONC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588518939 1173072878 /nfs/dbraw/zinc/07/28/78/1173072878.db2.gz OOFDWJOZFPGSSK-SECBINFHSA-N -1 3 273.296 1.411 20 30 CDEDHM C=C[C@@H](C)ONC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588518939 1173072885 /nfs/dbraw/zinc/07/28/85/1173072885.db2.gz OOFDWJOZFPGSSK-SECBINFHSA-N -1 3 273.296 1.411 20 30 CDEDHM C=CCn1cnnc1SCc1ccccc1-c1nnn[n-]1 ZINC001588716306 1173099776 /nfs/dbraw/zinc/09/97/76/1173099776.db2.gz BSJNXXHQIGGKHP-UHFFFAOYSA-N -1 3 299.363 1.937 20 30 CDEDHM C=CCn1cnnc1SCc1ccccc1-c1nn[n-]n1 ZINC001588716306 1173099784 /nfs/dbraw/zinc/09/97/84/1173099784.db2.gz BSJNXXHQIGGKHP-UHFFFAOYSA-N -1 3 299.363 1.937 20 30 CDEDHM CC#CCCNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588746475 1173102005 /nfs/dbraw/zinc/10/20/05/1173102005.db2.gz SCOCIOTTYXFDKC-UHFFFAOYSA-N -1 3 290.714 1.058 20 30 CDEDHM CC#CCCNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588746475 1173102008 /nfs/dbraw/zinc/10/20/08/1173102008.db2.gz SCOCIOTTYXFDKC-UHFFFAOYSA-N -1 3 290.714 1.058 20 30 CDEDHM C[C@@H](CC#N)NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589788210 1173182446 /nfs/dbraw/zinc/18/24/46/1173182446.db2.gz VOMBZMSRXOYGQE-ZETCQYMHSA-N -1 3 289.274 1.429 20 30 CDEDHM C[C@@H](Nc1nnccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589989034 1173223812 /nfs/dbraw/zinc/22/38/12/1173223812.db2.gz FBAYDRLBYUHABZ-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@H](Nc1nnccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589989034 1173223818 /nfs/dbraw/zinc/22/38/18/1173223818.db2.gz FBAYDRLBYUHABZ-SECBINFHSA-N -1 3 292.306 1.701 20 30 CDEDHM C[C@@H](O)[C@@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001589994217 1173224558 /nfs/dbraw/zinc/22/45/58/1173224558.db2.gz DSPKLXVUVYIVLC-ZYHUDNBSSA-N -1 3 298.350 1.336 20 30 CDEDHM C[C@@H](O)[C@@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001589994217 1173224564 /nfs/dbraw/zinc/22/45/64/1173224564.db2.gz DSPKLXVUVYIVLC-ZYHUDNBSSA-N -1 3 298.350 1.336 20 30 CDEDHM C[C@@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@H](C)O1 ZINC001590180745 1173282602 /nfs/dbraw/zinc/28/26/02/1173282602.db2.gz ITFZCQCZEFFCOY-ZJUUUORDSA-N -1 3 286.339 1.510 20 30 CDEDHM C[C@@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@H](C)O1 ZINC001590180745 1173282609 /nfs/dbraw/zinc/28/26/09/1173282609.db2.gz ITFZCQCZEFFCOY-ZJUUUORDSA-N -1 3 286.339 1.510 20 30 CDEDHM CC[C@H](C#N)C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590367278 1173375332 /nfs/dbraw/zinc/37/53/32/1173375332.db2.gz KGIOCHXKSRNYPG-LLVKDONJSA-N -1 3 284.323 1.375 20 30 CDEDHM CC[C@H](C#N)C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590367278 1173375341 /nfs/dbraw/zinc/37/53/41/1173375341.db2.gz KGIOCHXKSRNYPG-LLVKDONJSA-N -1 3 284.323 1.375 20 30 CDEDHM CC[C@@H](C#N)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC ZINC001590367226 1173378351 /nfs/dbraw/zinc/37/83/51/1173378351.db2.gz ICMCFGQDWBIAKI-QMMMGPOBSA-N -1 3 285.311 1.397 20 30 CDEDHM CCC[C@H](C#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001590538989 1173455627 /nfs/dbraw/zinc/45/56/27/1173455627.db2.gz WJUQFKNLALYQCT-LLVKDONJSA-N -1 3 284.323 1.597 20 30 CDEDHM CCC[C@H](C#N)NC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001590538989 1173455630 /nfs/dbraw/zinc/45/56/30/1173455630.db2.gz WJUQFKNLALYQCT-LLVKDONJSA-N -1 3 284.323 1.597 20 30 CDEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C#CC1CC1 ZINC001590745975 1173504987 /nfs/dbraw/zinc/50/49/87/1173504987.db2.gz BTFRUQRWAOFPCW-UHFFFAOYSA-N -1 3 296.334 1.650 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1CN1CC(C)(C#N)C1 ZINC001591486142 1173661876 /nfs/dbraw/zinc/66/18/76/1173661876.db2.gz QVDWDCSAXYRPKG-UHFFFAOYSA-N -1 3 284.323 1.221 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CC(C)(C#N)C1 ZINC001591486142 1173661880 /nfs/dbraw/zinc/66/18/80/1173661880.db2.gz QVDWDCSAXYRPKG-UHFFFAOYSA-N -1 3 284.323 1.221 20 30 CDEDHM COc1ccc(-c2nn[n-]n2)cc1CN[C@@H](C)CC#N ZINC001591558816 1173667979 /nfs/dbraw/zinc/66/79/79/1173667979.db2.gz VSGOGQCJDZOACA-VIFPVBQESA-N -1 3 272.312 1.267 20 30 CDEDHM Cc1cc(CN2CC[C@](C)(C#N)C2)ccc1-c1nn[n-]n1 ZINC001591963871 1173754989 /nfs/dbraw/zinc/75/49/89/1173754989.db2.gz UXDBPMIAWBNYGX-OAHLLOKOSA-N -1 3 282.351 1.911 20 30 CDEDHM Cc1cc(NC[C@@H](C)C#N)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592038461 1173782298 /nfs/dbraw/zinc/78/22/98/1173782298.db2.gz GIBVZNJYXANDQY-ZETCQYMHSA-N -1 3 287.283 1.655 20 30 CDEDHM Cc1cc(NC[C@@H](C)C#N)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592038461 1173782304 /nfs/dbraw/zinc/78/23/04/1173782304.db2.gz GIBVZNJYXANDQY-ZETCQYMHSA-N -1 3 287.283 1.655 20 30 CDEDHM Cc1nc(NCC2(C#N)CCC2)ccc1-c1nnn[n-]1 ZINC001592386085 1173876298 /nfs/dbraw/zinc/87/62/98/1173876298.db2.gz MLABLXYBGPEKSF-UHFFFAOYSA-N -1 3 269.312 1.676 20 30 CDEDHM Cc1nc(NCC2(C#N)CCC2)ccc1-c1nn[n-]n1 ZINC001592386085 1173876307 /nfs/dbraw/zinc/87/63/07/1173876307.db2.gz MLABLXYBGPEKSF-UHFFFAOYSA-N -1 3 269.312 1.676 20 30 CDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC#CC(C)(C)C ZINC001592562398 1173922573 /nfs/dbraw/zinc/92/25/73/1173922573.db2.gz AIQXBHKYYAEKHE-UHFFFAOYSA-N -1 3 287.323 1.412 20 30 CDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC#CC(C)(C)C ZINC001592562398 1173922575 /nfs/dbraw/zinc/92/25/75/1173922575.db2.gz AIQXBHKYYAEKHE-UHFFFAOYSA-N -1 3 287.323 1.412 20 30 CDEDHM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001592668156 1173961711 /nfs/dbraw/zinc/96/17/11/1173961711.db2.gz ACQPYLYHXSPZII-LLVKDONJSA-N -1 3 285.311 1.007 20 30 CDEDHM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001592668156 1173961713 /nfs/dbraw/zinc/96/17/13/1173961713.db2.gz ACQPYLYHXSPZII-LLVKDONJSA-N -1 3 285.311 1.007 20 30 CDEDHM N#CCc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001592679825 1173968396 /nfs/dbraw/zinc/96/83/96/1173968396.db2.gz DFVYOYFDENYLNR-UHFFFAOYSA-N -1 3 291.318 1.940 20 30 CDEDHM N#CCc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592679825 1173968402 /nfs/dbraw/zinc/96/84/02/1173968402.db2.gz DFVYOYFDENYLNR-UHFFFAOYSA-N -1 3 291.318 1.940 20 30 CDEDHM N#CC[C@@H](O)CSc1c(Cl)cccc1-c1nnn[n-]1 ZINC001592682351 1173969521 /nfs/dbraw/zinc/96/95/21/1173969521.db2.gz WPKSIZSGRIGUFB-SSDOTTSWSA-N -1 3 295.755 1.887 20 30 CDEDHM N#CC[C@@H](O)CSc1c(Cl)cccc1-c1nn[n-]n1 ZINC001592682351 1173969524 /nfs/dbraw/zinc/96/95/24/1173969524.db2.gz WPKSIZSGRIGUFB-SSDOTTSWSA-N -1 3 295.755 1.887 20 30 CDEDHM N#CCN(CCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001592678041 1173969651 /nfs/dbraw/zinc/96/96/51/1173969651.db2.gz ZYXQEOZUWYOCLS-UHFFFAOYSA-N -1 3 268.324 1.397 20 30 CDEDHM N#CCN(CCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001592678041 1173969655 /nfs/dbraw/zinc/96/96/55/1173969655.db2.gz ZYXQEOZUWYOCLS-UHFFFAOYSA-N -1 3 268.324 1.397 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1cccc(CO)c1 ZINC001592700019 1173974562 /nfs/dbraw/zinc/97/45/62/1173974562.db2.gz XDULVOQDWHQEEY-UHFFFAOYSA-N -1 3 292.302 1.974 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1cccc(CO)c1 ZINC001592700019 1173974567 /nfs/dbraw/zinc/97/45/67/1173974567.db2.gz XDULVOQDWHQEEY-UHFFFAOYSA-N -1 3 292.302 1.974 20 30 CDEDHM N#Cc1cnccc1CSc1ccncc1-c1nnn[n-]1 ZINC001592704075 1173977083 /nfs/dbraw/zinc/97/70/83/1173977083.db2.gz RMQFWQBPUDOCOL-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM N#Cc1cnccc1CSc1ccncc1-c1nn[n-]n1 ZINC001592704075 1173977086 /nfs/dbraw/zinc/97/70/86/1173977086.db2.gz RMQFWQBPUDOCOL-UHFFFAOYSA-N -1 3 295.331 1.821 20 30 CDEDHM N#Cc1ncn(Cc2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC001592709372 1173981096 /nfs/dbraw/zinc/98/10/96/1173981096.db2.gz DBKQRFNRYNQZGE-UHFFFAOYSA-N -1 3 287.233 1.261 20 30 CDEDHM N#Cc1ccc(CN[C@@]2(CC(=O)[O-])CCOC2)c(Cl)c1 ZINC001601101717 1174743112 /nfs/dbraw/zinc/74/31/12/1174743112.db2.gz GLSGNWVXMDRVPZ-CQSZACIVSA-N -1 3 294.738 1.935 20 30 CDEDHM C#C[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001602689604 1175356393 /nfs/dbraw/zinc/35/63/93/1175356393.db2.gz IVLVMYVPAGBJFY-ZCFIWIBFSA-N -1 3 282.229 1.714 20 30 CDEDHM C#C[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001602689604 1175356402 /nfs/dbraw/zinc/35/64/02/1175356402.db2.gz IVLVMYVPAGBJFY-ZCFIWIBFSA-N -1 3 282.229 1.714 20 30 CDEDHM c1cc(-c2nnn[n-]2)ccc1N=NC[C@H]1CCCOC1 ZINC001602745499 1175381403 /nfs/dbraw/zinc/38/14/03/1175381403.db2.gz HZKJFEFOAFSRCQ-SNVBAGLBSA-N -1 3 272.312 1.691 20 30 CDEDHM c1cc(-c2nn[n-]n2)ccc1N=NC[C@H]1CCCOC1 ZINC001602745499 1175381410 /nfs/dbraw/zinc/38/14/10/1175381410.db2.gz HZKJFEFOAFSRCQ-SNVBAGLBSA-N -1 3 272.312 1.691 20 30 CDEDHM C=C(C)CNC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602762614 1175393133 /nfs/dbraw/zinc/39/31/33/1175393133.db2.gz AUCIXPBKWIWHAV-UHFFFAOYSA-N -1 3 285.351 1.837 20 30 CDEDHM C=C(C)CNC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602762614 1175393139 /nfs/dbraw/zinc/39/31/39/1175393139.db2.gz AUCIXPBKWIWHAV-UHFFFAOYSA-N -1 3 285.351 1.837 20 30 CDEDHM C=CC[C@H](CO)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001602816469 1175414238 /nfs/dbraw/zinc/41/42/38/1175414238.db2.gz OHAGGWMVORIMNU-GFCCVEGCSA-N -1 3 296.334 1.764 20 30 CDEDHM C=CC[C@H](CO)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001602816469 1175414241 /nfs/dbraw/zinc/41/42/41/1175414241.db2.gz OHAGGWMVORIMNU-GFCCVEGCSA-N -1 3 296.334 1.764 20 30 CDEDHM C=CCCCN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602839921 1175428487 /nfs/dbraw/zinc/42/84/87/1175428487.db2.gz LZJBLVFZCHHIDH-UHFFFAOYSA-N -1 3 289.299 1.572 20 30 CDEDHM C=CCCCN(C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602839921 1175428490 /nfs/dbraw/zinc/42/84/90/1175428490.db2.gz LZJBLVFZCHHIDH-UHFFFAOYSA-N -1 3 289.299 1.572 20 30 CDEDHM CC(C)(C)OCCCn1cnc(C#N)c1-c1nnn[n-]1 ZINC001603102816 1175491776 /nfs/dbraw/zinc/49/17/76/1175491776.db2.gz XZJWFDTZTKKUID-UHFFFAOYSA-N -1 3 275.316 1.140 20 30 CDEDHM C[C@@H](CC#N)NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001603442635 1175553310 /nfs/dbraw/zinc/55/33/10/1175553310.db2.gz LDYPLXWHRHDEJJ-QMMMGPOBSA-N -1 3 260.276 1.398 20 30 CDEDHM C[C@@H](CC#N)NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001603442635 1175553315 /nfs/dbraw/zinc/55/33/15/1175553315.db2.gz LDYPLXWHRHDEJJ-QMMMGPOBSA-N -1 3 260.276 1.398 20 30 CDEDHM CCC(N=Nc1cncnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603965792 1175701133 /nfs/dbraw/zinc/70/11/33/1175701133.db2.gz QFCDGTAFXWTNHT-UHFFFAOYSA-N -1 3 294.322 1.883 20 30 CDEDHM CCC(N=Nc1cncnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603965792 1175701135 /nfs/dbraw/zinc/70/11/35/1175701135.db2.gz QFCDGTAFXWTNHT-UHFFFAOYSA-N -1 3 294.322 1.883 20 30 CDEDHM CN(C)C(=O)c1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC001772323508 1187184912 /nfs/dbraw/zinc/18/49/12/1187184912.db2.gz DBNQCOFXGPIHPR-ZDUSSCGKSA-N -1 3 294.314 1.668 20 30 CDEDHM CO[C@@H]1CCOC[C@H]1N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001606999080 1164055498 /nfs/dbraw/zinc/05/54/98/1164055498.db2.gz AXDNXAZBIQMNEM-MGPQQGTHSA-N -1 3 290.319 1.077 20 30 CDEDHM C#CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC001609020054 1164728025 /nfs/dbraw/zinc/72/80/25/1164728025.db2.gz QFCXILFFQCJJNH-UHFFFAOYSA-N -1 3 288.282 1.853 20 30 CDEDHM C#CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC001609020054 1164728032 /nfs/dbraw/zinc/72/80/32/1164728032.db2.gz 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C=C(C)C[C@@H](NCc1cn(C)nc1Cl)C(=O)[O-] ZINC001261846549 946300433 /nfs/dbraw/zinc/30/04/33/946300433.db2.gz OTVDWFCROHKVIE-SECBINFHSA-N -1 3 257.721 1.583 20 30 CDEDHM N#Cc1cncc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001242275242 946652812 /nfs/dbraw/zinc/65/28/12/946652812.db2.gz XJXRTLFDYOMLNV-UHFFFAOYSA-N -1 3 262.276 1.724 20 30 CDEDHM N#Cc1cncc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001242275242 946652816 /nfs/dbraw/zinc/65/28/16/946652816.db2.gz XJXRTLFDYOMLNV-UHFFFAOYSA-N -1 3 262.276 1.724 20 30 CDEDHM C=C(Br)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573293298 946953273 /nfs/dbraw/zinc/95/32/73/946953273.db2.gz ROWZYUHDWXNETR-UHFFFAOYSA-N -1 3 299.107 1.721 20 30 CDEDHM C=C(Br)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573293298 946953275 /nfs/dbraw/zinc/95/32/75/946953275.db2.gz ROWZYUHDWXNETR-UHFFFAOYSA-N -1 3 299.107 1.721 20 30 CDEDHM COc1ccc(-c2cncc(-c3nnn[n-]3)c2)c(C#N)c1 ZINC001243728887 947191829 /nfs/dbraw/zinc/19/18/29/947191829.db2.gz LSGIVOABJIKVKN-UHFFFAOYSA-N -1 3 278.275 1.809 20 30 CDEDHM COc1ccc(-c2cncc(-c3nn[n-]n3)c2)c(C#N)c1 ZINC001243728887 947191836 /nfs/dbraw/zinc/19/18/36/947191836.db2.gz LSGIVOABJIKVKN-UHFFFAOYSA-N -1 3 278.275 1.809 20 30 CDEDHM C#CCOC[C@@H](O)CNc1cccc([O-])c1Cl ZINC001251867292 950890246 /nfs/dbraw/zinc/89/02/46/950890246.db2.gz BGUQOIOMHDGLDX-VIFPVBQESA-N -1 3 255.701 1.468 20 30 CDEDHM C=CC[C@@H]([N-]S(=O)(=O)Cc1ccccc1)C(=O)OC ZINC001252918234 951704285 /nfs/dbraw/zinc/70/42/85/951704285.db2.gz XTWBZNWTFYXSSV-GFCCVEGCSA-N -1 3 283.349 1.224 20 30 CDEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1c(C)nn2cccnc12 ZINC001364816210 955196419 /nfs/dbraw/zinc/19/64/19/955196419.db2.gz RGDCTBPQUDJRQM-JTQLQIEISA-N -1 3 293.352 1.008 20 30 CDEDHM C=CCCn1cc(CN[C@H](C)CCCC(=O)[O-])nn1 ZINC001329354458 955844908 /nfs/dbraw/zinc/84/49/08/955844908.db2.gz MVQPIDAMASSQLA-LLVKDONJSA-N -1 3 266.345 1.587 20 30 CDEDHM C#C[C@@H](NCc1cc(F)c(F)cc1[O-])[C@@H]1CCCO1 ZINC001308702886 956563285 /nfs/dbraw/zinc/56/32/85/956563285.db2.gz CWVWROSRJWONDC-OCCSQVGLSA-N -1 3 267.275 1.941 20 30 CDEDHM CC#CC[C@H](NCc1cccnc1Cl)C(=O)[O-] ZINC001331997659 957390199 /nfs/dbraw/zinc/39/01/99/957390199.db2.gz FZPMXUMKOMEJDL-JTQLQIEISA-N -1 3 252.701 1.691 20 30 CDEDHM C=C(C)C[C@@H](NCc1cnn(C)c1Cl)C(=O)[O-] ZINC001332017547 957401228 /nfs/dbraw/zinc/40/12/28/957401228.db2.gz NZJBNAJIENXZLD-SECBINFHSA-N -1 3 257.721 1.583 20 30 CDEDHM C=CC[C@H](C(=O)OC)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001588452089 958418627 /nfs/dbraw/zinc/41/86/27/958418627.db2.gz ILBIHWQDHYVYPL-OUAUKWLOSA-N -1 3 255.314 1.147 20 30 CDEDHM C=CCN(C)CCN(CC)C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001573329089 958504290 /nfs/dbraw/zinc/50/42/90/958504290.db2.gz XOHLMBSMKHPMHX-OAHLLOKOSA-N -1 3 282.384 1.454 20 30 CDEDHM N#Cc1ccc(Br)c(CNCCC(=O)[O-])c1 ZINC001335186665 959622380 /nfs/dbraw/zinc/62/23/80/959622380.db2.gz WLJCGJVYZULWDH-UHFFFAOYSA-N -1 3 283.125 1.885 20 30 CDEDHM C[C@H]1CCN(Cc2cc(C#N)ccn2)C[C@@H]1C(=O)[O-] ZINC001573736781 960447763 /nfs/dbraw/zinc/44/77/63/960447763.db2.gz GCWYQOZVOAVCRO-GWCFXTLKSA-N -1 3 259.309 1.496 20 30 CDEDHM C=C[C@@H](C(=O)[O-])N1CCN(c2cccc(OC)c2)CC1 ZINC000312302257 963551346 /nfs/dbraw/zinc/55/13/46/963551346.db2.gz UTVZQVJWAGJDOH-AWEZNQCLSA-N -1 3 276.336 1.456 20 30 CDEDHM Cc1cc(C(C#N)=C([O-])C2=CCOCC2)nc(C)n1 ZINC001343376052 963962006 /nfs/dbraw/zinc/96/20/06/963962006.db2.gz GRKWGCGFPQYXSK-GFCCVEGCSA-N -1 3 257.293 1.616 20 30 CDEDHM CCn1ccnc1C(C#N)=C([O-])c1cnnn1CC ZINC001344322126 964276362 /nfs/dbraw/zinc/27/63/62/964276362.db2.gz ILPAAMAKYVBZCU-VIFPVBQESA-N -1 3 258.285 1.004 20 30 CDEDHM CNC(=O)c1ccc(C([O-])=C(C#N)c2cccc(F)n2)cn1 ZINC001344595292 964375051 /nfs/dbraw/zinc/37/50/51/964375051.db2.gz KEXNQLDGELDTHU-JTQLQIEISA-N -1 3 298.277 1.465 20 30 CDEDHM C=CCC[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C(=O)[O-] ZINC001346313296 965041528 /nfs/dbraw/zinc/04/15/28/965041528.db2.gz VWKBIXQCKZQSHO-OLZOCXBDSA-N -1 3 282.384 1.642 20 30 CDEDHM C=CC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001350439237 966667277 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CCCS(=O)(=O)[N-]c1ccc(C(=O)OCC#N)cc1 ZINC000728108958 574613869 /nfs/dbraw/zinc/61/38/69/574613869.db2.gz QCISEPNBWYKVBD-UHFFFAOYSA-N -1 3 282.321 1.519 20 30 CDEDHM C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C(=O)[O-])CC1 ZINC000738489451 574629909 /nfs/dbraw/zinc/62/99/09/574629909.db2.gz DUYHQMQVGCPNEC-LBPRGKRZSA-N -1 3 280.368 1.372 20 30 CDEDHM COc1cccc([O-])c1/C=N/[C@H]1CCN(C(C)C)C1=O ZINC000734096997 575156186 /nfs/dbraw/zinc/15/61/86/575156186.db2.gz VULRODNJQFOCMA-RGZVIEDOSA-N -1 3 276.336 1.829 20 30 CDEDHM C[C@@H](C#N)CN(C)CCC[N-]C(=O)C(F)(F)F ZINC000774598548 575218583 /nfs/dbraw/zinc/21/85/83/575218583.db2.gz ZPIBFQSWELGLME-QMMMGPOBSA-N -1 3 251.252 1.146 20 30 CDEDHM C#CCCCOC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735375493 575460281 /nfs/dbraw/zinc/46/02/81/575460281.db2.gz MFOBELZJONZTDU-UHFFFAOYSA-N -1 3 286.291 1.202 20 30 CDEDHM C#CCCCOC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735375493 575460284 /nfs/dbraw/zinc/46/02/84/575460284.db2.gz MFOBELZJONZTDU-UHFFFAOYSA-N -1 3 286.291 1.202 20 30 CDEDHM C=CCCC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735410088 575460919 /nfs/dbraw/zinc/46/09/19/575460919.db2.gz TXXLWJFHEYKBJP-UHFFFAOYSA-N -1 3 271.324 1.791 20 30 CDEDHM C=CCCC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735410088 575460921 /nfs/dbraw/zinc/46/09/21/575460921.db2.gz TXXLWJFHEYKBJP-UHFFFAOYSA-N -1 3 271.324 1.791 20 30 CDEDHM CC(=NNCC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000735450777 575466270 /nfs/dbraw/zinc/46/62/70/575466270.db2.gz DCMQUZXEXZMYSW-UHFFFAOYSA-N -1 3 266.255 1.445 20 30 CDEDHM CC(=NNCC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000735450777 575466273 /nfs/dbraw/zinc/46/62/73/575466273.db2.gz DCMQUZXEXZMYSW-UHFFFAOYSA-N -1 3 266.255 1.445 20 30 CDEDHM C=CC[C@H](C)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735409681 575466439 /nfs/dbraw/zinc/46/64/39/575466439.db2.gz INRKGWQIOSVPDP-JTQLQIEISA-N -1 3 287.323 1.326 20 30 CDEDHM C=CC[C@H](C)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735409681 575466442 /nfs/dbraw/zinc/46/64/42/575466442.db2.gz INRKGWQIOSVPDP-JTQLQIEISA-N -1 3 287.323 1.326 20 30 CDEDHM C=CCOC(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000735437088 575467997 /nfs/dbraw/zinc/46/79/97/575467997.db2.gz DMUYRHWBJIPCLY-CYBMUJFWSA-N -1 3 299.334 1.565 20 30 CDEDHM C=CCOC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735437088 575468000 /nfs/dbraw/zinc/46/80/00/575468000.db2.gz DMUYRHWBJIPCLY-CYBMUJFWSA-N -1 3 299.334 1.565 20 30 CDEDHM C[C@H](CC#N)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735963598 575540825 /nfs/dbraw/zinc/54/08/25/575540825.db2.gz IDQCVVJYTDVTSW-SNVBAGLBSA-N -1 3 284.323 1.170 20 30 CDEDHM C[C@H](CC#N)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735963598 575540826 /nfs/dbraw/zinc/54/08/26/575540826.db2.gz IDQCVVJYTDVTSW-SNVBAGLBSA-N -1 3 284.323 1.170 20 30 CDEDHM C=CCN(CCC(=O)NCC(=O)[O-])Cc1cccs1 ZINC000736108776 575564792 /nfs/dbraw/zinc/56/47/92/575564792.db2.gz RVRZUFRCXHWROG-UHFFFAOYSA-N -1 3 282.365 1.327 20 30 CDEDHM COc1ccccc1OCCn1ccc(C=N[O-])nc1=O ZINC000736306244 575614593 /nfs/dbraw/zinc/61/45/93/575614593.db2.gz DHUMJIIGFGTVAR-UHFFFAOYSA-N -1 3 289.291 1.139 20 30 CDEDHM C#CC(C)(C)[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000773291538 575798589 /nfs/dbraw/zinc/79/85/89/575798589.db2.gz RKGCDCWHMQELGY-UHFFFAOYSA-N -1 3 299.323 1.302 20 30 CDEDHM CS(=O)(=O)[N-]N=C1CCSc2ccc(F)cc21 ZINC000764700094 575935280 /nfs/dbraw/zinc/93/52/80/575935280.db2.gz OETDDFJUWZOTRW-UHFFFAOYSA-N -1 3 274.342 1.575 20 30 CDEDHM CCC(=N[N-]S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000764706341 575936575 /nfs/dbraw/zinc/93/65/75/575936575.db2.gz AQNSSGMVLJPSAL-UHFFFAOYSA-N -1 3 271.298 1.258 20 30 CDEDHM CCOC(=O)C[C@@H](OC(=O)c1ccc(C#N)[n-]1)C1CC1 ZINC000764708394 575937057 /nfs/dbraw/zinc/93/70/57/575937057.db2.gz YTDNXUDUAPMNHB-GFCCVEGCSA-N -1 3 276.292 1.775 20 30 CDEDHM CCOCCON=C1C(=O)Nc2cc([O-])ccc21 ZINC000774415891 575944919 /nfs/dbraw/zinc/94/49/19/575944919.db2.gz XQCKRZISYIZTFE-UHFFFAOYSA-N -1 3 250.254 1.102 20 30 CDEDHM [O-]c1cc(O)ccc1C=NNCCOCC(F)(F)F ZINC000765592550 576042076 /nfs/dbraw/zinc/04/20/76/576042076.db2.gz CDIRPWZAYQUACC-UHFFFAOYSA-N -1 3 278.230 1.600 20 30 CDEDHM COc1cccc([O-])c1C=NNCCOCC(F)(F)F ZINC000765602938 576044201 /nfs/dbraw/zinc/04/42/01/576044201.db2.gz JGYMBOJZNFOQLV-UHFFFAOYSA-N -1 3 292.257 1.903 20 30 CDEDHM Cc1oc(CN(C)C(=O)C(C)C#N)cc1C(=O)[O-] ZINC000738969235 576143757 /nfs/dbraw/zinc/14/37/57/576143757.db2.gz KHWREPJHBFHGNZ-ZETCQYMHSA-N -1 3 250.254 1.404 20 30 CDEDHM O=C1CN(N=Cc2cnc(C3CCCC3)s2)C(=O)[N-]1 ZINC000767763258 576227337 /nfs/dbraw/zinc/22/73/37/576227337.db2.gz SQUANXCKQXYXID-UHFFFAOYSA-N -1 3 278.337 1.686 20 30 CDEDHM COc1ccc(C(C)=NNc2cnn(C)c2)c([O-])c1 ZINC000761865825 576600077 /nfs/dbraw/zinc/60/00/77/576600077.db2.gz OFTZPGBCJKBBNO-UHFFFAOYSA-N -1 3 260.297 1.970 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C#N ZINC000742734004 576614845 /nfs/dbraw/zinc/61/48/45/576614845.db2.gz JUBXKXXSTBVNCC-MRVPVSSYSA-N -1 3 273.292 1.664 20 30 CDEDHM O=C1CN(N=Cc2ccc(Br)cc2)C(=O)[N-]1 ZINC000744807157 576698601 /nfs/dbraw/zinc/69/86/01/576698601.db2.gz NKKDPVFYBINMTF-UHFFFAOYSA-N -1 3 282.097 1.335 20 30 CDEDHM [O-]c1ccccc1C=NNC(=S)NCC(F)(F)F ZINC000746495445 576779005 /nfs/dbraw/zinc/77/90/05/576779005.db2.gz OHOKBXLLPIUFCR-UHFFFAOYSA-N -1 3 277.271 1.753 20 30 CDEDHM [O-]c1cc(O)ccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753934910 576867034 /nfs/dbraw/zinc/86/70/34/576867034.db2.gz LEHOPAMEPMBIHQ-RYUDHWBXSA-N -1 3 274.324 1.292 20 30 CDEDHM CNC(=O)c1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000747712873 576882233 /nfs/dbraw/zinc/88/22/33/576882233.db2.gz JLBAYMRFIFEOQJ-UHFFFAOYSA-N -1 3 299.330 1.698 20 30 CDEDHM CN(CCn1ccc(C=N[O-])nc1=O)c1ccccc1 ZINC000747719858 576882306 /nfs/dbraw/zinc/88/23/06/576882306.db2.gz XGSQDCMKYGFDRW-UHFFFAOYSA-N -1 3 272.308 1.188 20 30 CDEDHM C=CCOC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000754520419 576899739 /nfs/dbraw/zinc/89/97/39/576899739.db2.gz HTTUGUXUPRNJAS-CQSZACIVSA-N -1 3 274.276 1.084 20 30 CDEDHM CCOC(=O)[C@@H](C)COC(=O)c1ccc(C#N)[n-]1 ZINC000752511471 577110969 /nfs/dbraw/zinc/11/09/69/577110969.db2.gz CGWDDHMASSIZRI-QMMMGPOBSA-N -1 3 250.254 1.242 20 30 CDEDHM CCN(CCC#N)C(=O)COC(=O)c1ccc([O-])cc1C ZINC000758544864 577115882 /nfs/dbraw/zinc/11/58/82/577115882.db2.gz GMOIOUPUEHKBLA-UHFFFAOYSA-N -1 3 290.319 1.620 20 30 CDEDHM N#Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737720967 598435986 /nfs/dbraw/zinc/43/59/86/598435986.db2.gz CXWSZBXEJBWPSF-UHFFFAOYSA-N -1 3 292.258 1.353 20 30 CDEDHM N#Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737720967 598435988 /nfs/dbraw/zinc/43/59/88/598435988.db2.gz CXWSZBXEJBWPSF-UHFFFAOYSA-N -1 3 292.258 1.353 20 30 CDEDHM C[C@@H](CC#N)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820220096 599383794 /nfs/dbraw/zinc/38/37/94/599383794.db2.gz NGROORCXOABISB-QMMMGPOBSA-N -1 3 260.276 1.398 20 30 CDEDHM C[C@@H](CC#N)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820220096 599383797 /nfs/dbraw/zinc/38/37/97/599383797.db2.gz NGROORCXOABISB-QMMMGPOBSA-N -1 3 260.276 1.398 20 30 CDEDHM C[C@H](CC#N)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820220174 599388168 /nfs/dbraw/zinc/38/81/68/599388168.db2.gz OIPHKQFAABJPTJ-NXEZZACHSA-N -1 3 256.313 1.819 20 30 CDEDHM Cn1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000833054867 601307291 /nfs/dbraw/zinc/30/72/91/601307291.db2.gz AFAIHPPTPFDMSQ-AWEZNQCLSA-N -1 3 269.304 1.812 20 30 CDEDHM COc1ccc(CN(C)[C@H](C)CC#N)cc1-c1nnn[n-]1 ZINC000826192406 607515228 /nfs/dbraw/zinc/51/52/28/607515228.db2.gz MDKUSNBHKUYCDH-SNVBAGLBSA-N -1 3 286.339 1.609 20 30 CDEDHM COc1ccc(CN(C)[C@H](C)CC#N)cc1-c1nn[n-]n1 ZINC000826192406 607515229 /nfs/dbraw/zinc/51/52/29/607515229.db2.gz MDKUSNBHKUYCDH-SNVBAGLBSA-N -1 3 286.339 1.609 20 30 CDEDHM C#C[C@H](CCC)NC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602687275 1175351728 /nfs/dbraw/zinc/35/17/28/1175351728.db2.gz AZOLYNYBJROXOW-GFCCVEGCSA-N -1 3 283.335 1.707 20 30 CDEDHM C#C[C@H](CCC)NC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602687275 1175351732 /nfs/dbraw/zinc/35/17/32/1175351732.db2.gz AZOLYNYBJROXOW-GFCCVEGCSA-N -1 3 283.335 1.707 20 30 CDEDHM C#CC[C@H](NCc1cn2cccc(F)c2n1)C(=O)[O-] ZINC001602694720 1175361601 /nfs/dbraw/zinc/36/16/01/1175361601.db2.gz QFYJEOMEOMFTBY-NSHDSACASA-N -1 3 261.256 1.040 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825224934 607677607 /nfs/dbraw/zinc/67/76/07/607677607.db2.gz HINSNJGVPPWTBJ-NSHDSACASA-N -1 3 284.323 1.597 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825224934 607677609 /nfs/dbraw/zinc/67/76/09/607677609.db2.gz HINSNJGVPPWTBJ-NSHDSACASA-N -1 3 284.323 1.597 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C#N)CC(C)C ZINC000826245950 607680088 /nfs/dbraw/zinc/68/00/88/607680088.db2.gz NJCNXFFXHIGHEK-GFCCVEGCSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C#N)CC(C)C ZINC000826245950 607680090 /nfs/dbraw/zinc/68/00/90/607680090.db2.gz NJCNXFFXHIGHEK-GFCCVEGCSA-N -1 3 298.350 1.843 20 30 CDEDHM C#CCOCCOc1c(C)cc(Cl)cc1-c1nnn[n-]1 ZINC001602731925 1175376533 /nfs/dbraw/zinc/37/65/33/1175376533.db2.gz IIYOOWCBMXTYOS-UHFFFAOYSA-N -1 3 292.726 1.857 20 30 CDEDHM C#CCOCCOc1c(C)cc(Cl)cc1-c1nn[n-]n1 ZINC001602731925 1175376544 /nfs/dbraw/zinc/37/65/44/1175376544.db2.gz IIYOOWCBMXTYOS-UHFFFAOYSA-N -1 3 292.726 1.857 20 30 CDEDHM C=C(C)C[C@H](CO)Nc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001602753821 1175387977 /nfs/dbraw/zinc/38/79/77/1175387977.db2.gz VJCGTPUIBHGNFJ-LLVKDONJSA-N -1 3 288.355 1.618 20 30 CDEDHM C=C(C)C[C@H](CO)Nc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001602753821 1175387984 /nfs/dbraw/zinc/38/79/84/1175387984.db2.gz VJCGTPUIBHGNFJ-LLVKDONJSA-N -1 3 288.355 1.618 20 30 CDEDHM C[C@@H](CC#N)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000820219423 606060953 /nfs/dbraw/zinc/06/09/53/606060953.db2.gz GKXZEKIRCYBYPE-ZETCQYMHSA-N -1 3 277.719 1.653 20 30 CDEDHM C[C@@H](CC#N)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000820219423 606060959 /nfs/dbraw/zinc/06/09/59/606060959.db2.gz GKXZEKIRCYBYPE-ZETCQYMHSA-N -1 3 277.719 1.653 20 30 CDEDHM C#CCN(CC)[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000819697543 606075359 /nfs/dbraw/zinc/07/53/59/606075359.db2.gz HUNDBXGTFDLNAN-NSHDSACASA-N -1 3 298.350 1.149 20 30 CDEDHM C#CCN(CC)[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000819697543 606075364 /nfs/dbraw/zinc/07/53/64/606075364.db2.gz HUNDBXGTFDLNAN-NSHDSACASA-N -1 3 298.350 1.149 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822801808 606579816 /nfs/dbraw/zinc/57/98/16/606579816.db2.gz OXTZMLSVCMEAFG-VXNVDRBHSA-N -1 3 288.336 1.350 20 30 CDEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822801808 606579817 /nfs/dbraw/zinc/57/98/17/606579817.db2.gz OXTZMLSVCMEAFG-VXNVDRBHSA-N -1 3 288.336 1.350 20 30 CDEDHM C=C[C@H](C)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000819730201 606813591 /nfs/dbraw/zinc/81/35/91/606813591.db2.gz SJALQWSBDVTGIF-JTQLQIEISA-N -1 3 271.324 1.490 20 30 CDEDHM C=C[C@H](C)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000819730201 606813593 /nfs/dbraw/zinc/81/35/93/606813593.db2.gz SJALQWSBDVTGIF-JTQLQIEISA-N -1 3 271.324 1.490 20 30 CDEDHM C=C[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000819730223 606834079 /nfs/dbraw/zinc/83/40/79/606834079.db2.gz SVVDBUYRQOROLA-QMMMGPOBSA-N -1 3 288.311 1.571 20 30 CDEDHM C=C[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000819730223 606834081 /nfs/dbraw/zinc/83/40/81/606834081.db2.gz SVVDBUYRQOROLA-QMMMGPOBSA-N -1 3 288.311 1.571 20 30 CDEDHM C=C[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819729286 606835212 /nfs/dbraw/zinc/83/52/12/606835212.db2.gz GBIFKQSRRFCUTH-SSDOTTSWSA-N -1 3 276.275 1.702 20 30 CDEDHM C=C[C@@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819729286 606835214 /nfs/dbraw/zinc/83/52/14/606835214.db2.gz GBIFKQSRRFCUTH-SSDOTTSWSA-N -1 3 276.275 1.702 20 30 CDEDHM C[C@H](CC#N)N(C)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000820219178 607086845 /nfs/dbraw/zinc/08/68/45/607086845.db2.gz CZQQRSOCALQAQQ-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM C[C@H](CC#N)N(C)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820219178 607086846 /nfs/dbraw/zinc/08/68/46/607086846.db2.gz CZQQRSOCALQAQQ-SECBINFHSA-N -1 3 274.303 1.740 20 30 CDEDHM C=C[C@@H](NCc1ccc(S(=O)(=O)CC)cc1)C(=O)[O-] ZINC001602818618 1175415813 /nfs/dbraw/zinc/41/58/13/1175415813.db2.gz CHBDLFYIMLIKDN-GFCCVEGCSA-N -1 3 283.349 1.209 20 30 CDEDHM C=CCOCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000823925884 607786845 /nfs/dbraw/zinc/78/68/45/607786845.db2.gz PYWWBIBHEIZPRF-UHFFFAOYSA-N -1 3 273.296 1.032 20 30 CDEDHM C=CCOCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000823925884 607786846 /nfs/dbraw/zinc/78/68/46/607786846.db2.gz PYWWBIBHEIZPRF-UHFFFAOYSA-N -1 3 273.296 1.032 20 30 CDEDHM Cc1nn(C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826334371 607883693 /nfs/dbraw/zinc/88/36/93/607883693.db2.gz SBLCCOXQKXTGOM-BQYQJAHWSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1nn(C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826334371 607883694 /nfs/dbraw/zinc/88/36/94/607883694.db2.gz SBLCCOXQKXTGOM-BQYQJAHWSA-N -1 3 294.318 1.805 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cc(C)c(C#N)c1 ZINC000826173815 608325661 /nfs/dbraw/zinc/32/56/61/608325661.db2.gz VYOZIQHEWVJRHA-UHFFFAOYSA-N -1 3 294.318 1.905 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cc(C)c(C#N)c1 ZINC000826173815 608325663 /nfs/dbraw/zinc/32/56/63/608325663.db2.gz VYOZIQHEWVJRHA-UHFFFAOYSA-N -1 3 294.318 1.905 20 30 CDEDHM C[C@@H](C#N)CN(C)c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824034960 608367042 /nfs/dbraw/zinc/36/70/42/608367042.db2.gz QSHIJJVUOORJRT-JTQLQIEISA-N -1 3 297.366 1.736 20 30 CDEDHM C[C@@H](C#N)CN(C)c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824034960 608367044 /nfs/dbraw/zinc/36/70/44/608367044.db2.gz QSHIJJVUOORJRT-JTQLQIEISA-N -1 3 297.366 1.736 20 30 CDEDHM C#C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823837844 608454523 /nfs/dbraw/zinc/45/45/23/608454523.db2.gz HDPGVPAATLVRAA-GFCCVEGCSA-N -1 3 268.276 1.435 20 30 CDEDHM C#C[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823837377 608453804 /nfs/dbraw/zinc/45/38/04/608453804.db2.gz CQBWAXMBYGXWBG-GFCCVEGCSA-N -1 3 298.302 1.201 20 30 CDEDHM C#C[C@@H](OC(=O)COc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823837377 608453806 /nfs/dbraw/zinc/45/38/06/608453806.db2.gz CQBWAXMBYGXWBG-GFCCVEGCSA-N -1 3 298.302 1.201 20 30 CDEDHM C#C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823837844 608454522 /nfs/dbraw/zinc/45/45/22/608454522.db2.gz HDPGVPAATLVRAA-GFCCVEGCSA-N -1 3 268.276 1.435 20 30 CDEDHM C#C[C@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823839012 608454567 /nfs/dbraw/zinc/45/45/67/608454567.db2.gz YHJURCACEQXCIM-ZDUSSCGKSA-N -1 3 298.302 1.201 20 30 CDEDHM C#C[C@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823839012 608454568 /nfs/dbraw/zinc/45/45/68/608454568.db2.gz YHJURCACEQXCIM-ZDUSSCGKSA-N -1 3 298.302 1.201 20 30 CDEDHM CCOCC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825582021 608540164 /nfs/dbraw/zinc/54/01/64/608540164.db2.gz GRAKJXPTPAYZIF-UHFFFAOYSA-N -1 3 295.734 1.739 20 30 CDEDHM CCOCC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825582021 608540165 /nfs/dbraw/zinc/54/01/65/608540165.db2.gz GRAKJXPTPAYZIF-UHFFFAOYSA-N -1 3 295.734 1.739 20 30 CDEDHM C#CCN1CCCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000968828734 613150189 /nfs/dbraw/zinc/15/01/89/613150189.db2.gz SRMBUYQSXDWSSG-ZDUSSCGKSA-N -1 3 287.363 1.395 20 30 CDEDHM CC(C)C#CC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888119291 620751435 /nfs/dbraw/zinc/75/14/35/620751435.db2.gz ZYHHOVMOUMXFDB-UHFFFAOYSA-N -1 3 263.297 1.573 20 30 CDEDHM CC(C)C#CC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888119291 620751438 /nfs/dbraw/zinc/75/14/38/620751438.db2.gz ZYHHOVMOUMXFDB-UHFFFAOYSA-N -1 3 263.297 1.573 20 30 CDEDHM C=CCOC[C@H](NCc1cccc(O)c1)C(=O)[O-] ZINC000901809761 618263354 /nfs/dbraw/zinc/26/33/54/618263354.db2.gz UTVQALYNDBPPGL-LBPRGKRZSA-N -1 3 251.282 1.138 20 30 CDEDHM N#CCC[C@@H](C#N)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826381716 618591527 /nfs/dbraw/zinc/59/15/27/618591527.db2.gz WJBAUFQOSZUKCD-VIFPVBQESA-N -1 3 286.270 1.828 20 30 CDEDHM N#CCC[C@@H](C#N)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826381716 618591531 /nfs/dbraw/zinc/59/15/31/618591531.db2.gz WJBAUFQOSZUKCD-VIFPVBQESA-N -1 3 286.270 1.828 20 30 CDEDHM CC1CC(C#N)(C(=O)[N-]N2C(=O)c3ccccc3C2=O)C1 ZINC000841420721 618686336 /nfs/dbraw/zinc/68/63/36/618686336.db2.gz PLSDTBVJLSSSHY-UHFFFAOYSA-N -1 3 283.287 1.254 20 30 CDEDHM O=C1[C@H](NCc2ccsc2Cl)CCCN1[O-] ZINC000895159951 619377026 /nfs/dbraw/zinc/37/70/26/619377026.db2.gz JJMBODQDJLGTDP-MRVPVSSYSA-N -1 3 260.746 1.871 20 30 CDEDHM Cc1cc(C/N=C\c2c([O-])c(C)ncc2CO)ccn1 ZINC000840708191 620293922 /nfs/dbraw/zinc/29/39/22/620293922.db2.gz UYJFGRCOUXOPCE-PXNMLYILSA-N -1 3 271.320 1.910 20 30 CDEDHM C=CC[C@@H](CC)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000897651220 621050558 /nfs/dbraw/zinc/05/05/58/621050558.db2.gz VQNHQZUJZNDDQH-SNVBAGLBSA-N -1 3 272.312 1.346 20 30 CDEDHM C=CC[C@@H](CC)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000897651220 621050562 /nfs/dbraw/zinc/05/05/62/621050562.db2.gz VQNHQZUJZNDDQH-SNVBAGLBSA-N -1 3 272.312 1.346 20 30 CDEDHM C=CCn1cc(C(=O)N([O-])Cc2ccc(F)cc2)nn1 ZINC000901372396 624209217 /nfs/dbraw/zinc/20/92/17/624209217.db2.gz YASFTESRHDRWEV-UHFFFAOYSA-N -1 3 276.271 1.635 20 30 CDEDHM CS(C)(=O)=NS(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC000901684594 624405757 /nfs/dbraw/zinc/40/57/57/624405757.db2.gz VTHQCVFWWUIMCW-UHFFFAOYSA-N -1 3 287.366 1.137 20 30 CDEDHM O=C(C[C@H]1CCC(=O)NC1)N([O-])Cc1ccc(F)cc1 ZINC000904177513 626211364 /nfs/dbraw/zinc/21/13/64/626211364.db2.gz FSLFYOCEBVDNLV-LLVKDONJSA-N -1 3 280.299 1.460 20 30 CDEDHM CCCCN([O-])C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000904210652 626214269 /nfs/dbraw/zinc/21/42/69/626214269.db2.gz VYBDAUDQLKDHTB-UHFFFAOYSA-N -1 3 261.299 1.315 20 30 CDEDHM CC[C@H](NC(C)=O)C(=O)N([O-])Cc1ccccc1Cl ZINC000904192606 626215914 /nfs/dbraw/zinc/21/59/14/626215914.db2.gz RTXNRWJVYXGPSG-LBPRGKRZSA-N -1 3 284.743 1.973 20 30 CDEDHM CN(C)CC#CCNC(=O)c1c([O-])cccc1Cl ZINC000913520828 630526729 /nfs/dbraw/zinc/52/67/29/630526729.db2.gz ZPANQXOLSPQWRD-UHFFFAOYSA-N -1 3 266.728 1.340 20 30 CDEDHM O=C1[C@H](NCc2ccc(Cl)s2)CCCN1[O-] ZINC000828842382 630699581 /nfs/dbraw/zinc/69/95/81/630699581.db2.gz BRFHMCYWMLWDQF-MRVPVSSYSA-N -1 3 260.746 1.871 20 30 CDEDHM C=CCC[C@H](CO)NCc1ccc(C(=O)[O-])cc1F ZINC001602856735 1175436924 /nfs/dbraw/zinc/43/69/24/1175436924.db2.gz GOLQHDPNIHKEJD-GFCCVEGCSA-N -1 3 267.300 1.941 20 30 CDEDHM CC#CCCNC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001602894309 1175445867 /nfs/dbraw/zinc/44/58/67/1175445867.db2.gz VVDVBDXOAPPJMY-UHFFFAOYSA-N -1 3 276.325 1.463 20 30 CDEDHM CC#CCCNC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001602894309 1175445869 /nfs/dbraw/zinc/44/58/69/1175445869.db2.gz VVDVBDXOAPPJMY-UHFFFAOYSA-N -1 3 276.325 1.463 20 30 CDEDHM CC[C@@H](C#N)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604484146 1163201877 /nfs/dbraw/zinc/20/18/77/1163201877.db2.gz IXCVOOMHMASICV-GWCFXTLKSA-N -1 3 298.350 1.464 20 30 CDEDHM CC[C@@H](C#N)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604484146 1163201883 /nfs/dbraw/zinc/20/18/83/1163201883.db2.gz IXCVOOMHMASICV-GWCFXTLKSA-N -1 3 298.350 1.464 20 30 CDEDHM CN(C(=O)CC1(C#N)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001604639517 1163263664 /nfs/dbraw/zinc/26/36/64/1163263664.db2.gz ZENCXBRJZXOFBQ-UHFFFAOYSA-N 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JVPFGNHFDAUJIK-UHFFFAOYSA-N -1 3 283.320 1.807 20 30 CDEDHM O=C(C=Cc1cocn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001606487156 1163914284 /nfs/dbraw/zinc/91/42/84/1163914284.db2.gz HLPDFKKCQBVKSW-WAYWQWQTSA-N -1 3 267.248 1.751 20 30 CDEDHM O=C(C=Cc1cocn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001606487156 1163914291 /nfs/dbraw/zinc/91/42/91/1163914291.db2.gz HLPDFKKCQBVKSW-WAYWQWQTSA-N -1 3 267.248 1.751 20 30 CDEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001608199713 1164448565 /nfs/dbraw/zinc/44/85/65/1164448565.db2.gz OLRZVIQJURYVTK-TUAOUCFPSA-N -1 3 278.258 1.881 20 30 CDEDHM C#C[C@H](CC)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001609018597 1164726542 /nfs/dbraw/zinc/72/65/42/1164726542.db2.gz APUDUYSNWZUFES-MRVPVSSYSA-N -1 3 262.704 1.739 20 30 CDEDHM C#C[C@H](CC)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001609018597 1164726548 /nfs/dbraw/zinc/72/65/48/1164726548.db2.gz APUDUYSNWZUFES-MRVPVSSYSA-N -1 3 262.704 1.739 20 30 CDEDHM C=CC[C@@H](CC)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001609053146 1164747432 /nfs/dbraw/zinc/74/74/32/1164747432.db2.gz FGSXCXGCGOCJCY-SECBINFHSA-N -1 3 260.301 1.279 20 30 CDEDHM C=CC[C@@H](CC)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001609053146 1164747435 /nfs/dbraw/zinc/74/74/35/1164747435.db2.gz FGSXCXGCGOCJCY-SECBINFHSA-N -1 3 260.301 1.279 20 30 CDEDHM C=CCN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001609055551 1164749140 /nfs/dbraw/zinc/74/91/40/1164749140.db2.gz IBQVLSCYMFIXSV-UHFFFAOYSA-N -1 3 297.322 1.112 20 30 CDEDHM C=CCN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001609055551 1164749145 /nfs/dbraw/zinc/74/91/45/1164749145.db2.gz IBQVLSCYMFIXSV-UHFFFAOYSA-N -1 3 297.322 1.112 20 30 CDEDHM C=CCSCCNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609059200 1164752643 /nfs/dbraw/zinc/75/26/43/1164752643.db2.gz XQPGQXVKUPQOFC-UHFFFAOYSA-N -1 3 289.364 1.516 20 30 CDEDHM C=CCSCCNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609059200 1164752647 /nfs/dbraw/zinc/75/26/47/1164752647.db2.gz XQPGQXVKUPQOFC-UHFFFAOYSA-N -1 3 289.364 1.516 20 30 CDEDHM COCCCON=C(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609323630 1164902567 /nfs/dbraw/zinc/90/25/67/1164902567.db2.gz OGTXNTJQGVDDBC-UHFFFAOYSA-N -1 3 275.312 1.644 20 30 CDEDHM COCCCON=C(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609323630 1164902570 /nfs/dbraw/zinc/90/25/70/1164902570.db2.gz OGTXNTJQGVDDBC-UHFFFAOYSA-N -1 3 275.312 1.644 20 30 CDEDHM Cc1nc(N(C)C[C@H](C)C#N)ccc1-c1nnn[n-]1 ZINC001609450410 1164952634 /nfs/dbraw/zinc/95/26/34/1164952634.db2.gz ISYDUKHLALNXES-MRVPVSSYSA-N -1 3 257.301 1.166 20 30 CDEDHM Cc1nc(N(C)C[C@H](C)C#N)ccc1-c1nn[n-]n1 ZINC001609450410 1164952640 /nfs/dbraw/zinc/95/26/40/1164952640.db2.gz ISYDUKHLALNXES-MRVPVSSYSA-N -1 3 257.301 1.166 20 30 CDEDHM Cc1cc(Cl)ncc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878963318 1166275811 /nfs/dbraw/zinc/27/58/11/1166275811.db2.gz DBROZRCWCYDUDD-QMMMGPOBSA-N -1 3 298.730 1.545 20 30 CDEDHM N#CCn1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC001647257135 1168496791 /nfs/dbraw/zinc/49/67/91/1168496791.db2.gz DNFBZPGRBIHWQV-UHFFFAOYSA-N -1 3 284.279 1.032 20 30 CDEDHM Cc1ccc(CNc2cncc(C#N)n2)cc1-c1nnn[n-]1 ZINC001581200374 1172593032 /nfs/dbraw/zinc/59/30/32/1172593032.db2.gz KJOOGFPCJOGGOZ-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1ccc(CNc2cncc(C#N)n2)cc1-c1nn[n-]n1 ZINC001581200374 1172593037 /nfs/dbraw/zinc/59/30/37/1172593037.db2.gz KJOOGFPCJOGGOZ-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM N#Cc1cccc2c1CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001581875875 1172625961 /nfs/dbraw/zinc/62/59/61/1172625961.db2.gz VFHWCRPGUZHLID-UHFFFAOYSA-N -1 3 289.302 1.654 20 30 CDEDHM N#Cc1cccc2c1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001581875875 1172625967 /nfs/dbraw/zinc/62/59/67/1172625967.db2.gz VFHWCRPGUZHLID-UHFFFAOYSA-N -1 3 289.302 1.654 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588325775 1173025136 /nfs/dbraw/zinc/02/51/36/1173025136.db2.gz VKSYYJVKDDINPM-HNNXBMFYSA-N -1 3 299.334 1.407 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588325775 1173025142 /nfs/dbraw/zinc/02/51/42/1173025142.db2.gz VKSYYJVKDDINPM-HNNXBMFYSA-N 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O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1COCCO1 ZINC000073914406 483238886 /nfs/dbraw/zinc/23/88/86/483238886.db2.gz LCXMFYSSPKLYSQ-MRVPVSSYSA-N -1 3 264.241 1.068 20 30 CDEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1COCCO1 ZINC000073914406 483238893 /nfs/dbraw/zinc/23/88/93/483238893.db2.gz LCXMFYSSPKLYSQ-MRVPVSSYSA-N -1 3 264.241 1.068 20 30 CDEDHM O=C(N[O-])[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000671997006 483640872 /nfs/dbraw/zinc/64/08/72/483640872.db2.gz XJSUANZIQZKDTR-ZETCQYMHSA-N -1 3 285.097 1.380 20 30 CDEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c[nH]1 ZINC000365006076 526545469 /nfs/dbraw/zinc/54/54/69/526545469.db2.gz FBLLSOXZLAUMTF-UHFFFAOYSA-N -1 3 279.263 1.319 20 30 CDEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c[nH]1 ZINC000365006076 526545477 /nfs/dbraw/zinc/54/54/77/526545477.db2.gz FBLLSOXZLAUMTF-UHFFFAOYSA-N -1 3 279.263 1.319 20 30 CDEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000353176443 527054464 /nfs/dbraw/zinc/05/44/64/527054464.db2.gz GRIHCNLBKPWDFH-SNVBAGLBSA-N -1 3 258.318 1.854 20 30 CDEDHM N#Cc1cnn(CCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737728903 574459868 /nfs/dbraw/zinc/45/98/68/574459868.db2.gz XZRITNYXJSMAPW-UHFFFAOYSA-N -1 3 281.279 1.014 20 30 CDEDHM N#Cc1cnn(CCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737728903 574459869 /nfs/dbraw/zinc/45/98/69/574459869.db2.gz XZRITNYXJSMAPW-UHFFFAOYSA-N -1 3 281.279 1.014 20 30 CDEDHM COc1ccc([C@H](CC(=O)[O-])NC(=O)C(C)C#N)cc1 ZINC000737947170 574475357 /nfs/dbraw/zinc/47/53/57/574475357.db2.gz HAQLWJOPPOBTNQ-SKDRFNHKSA-N -1 3 276.292 1.487 20 30 CDEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC1CCCC1 ZINC000737706265 574606619 /nfs/dbraw/zinc/60/66/19/574606619.db2.gz WYAJHVJSPWOWCS-UHFFFAOYSA-N -1 3 287.352 1.750 20 30 CDEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC1CCCC1 ZINC000737706265 574606620 /nfs/dbraw/zinc/60/66/20/574606620.db2.gz WYAJHVJSPWOWCS-UHFFFAOYSA-N -1 3 287.352 1.750 20 30 CDEDHM Cc1ccc(NN=C2c3ccc([O-])cc3NC2=O)nn1 ZINC000729937724 574831802 /nfs/dbraw/zinc/83/18/02/574831802.db2.gz AYBSEMKRMUFOOB-UHFFFAOYSA-N -1 3 269.264 1.259 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N#Cc1ccc([C@H](OC(=O)c2cncc([O-])c2)C(N)=O)cc1 ZINC000734586201 575363442 /nfs/dbraw/zinc/36/34/42/575363442.db2.gz KWZJTFUGKDEZMV-ZDUSSCGKSA-N -1 3 297.270 1.042 20 30 CDEDHM CS(=O)(=O)NN=Cc1cc([O-])ccc1Br ZINC000769821355 575389283 /nfs/dbraw/zinc/38/92/83/575389283.db2.gz WTDUUUBISSIJDT-UHFFFAOYSA-N -1 3 293.142 1.038 20 30 CDEDHM Cc1cc(N=NC(C)c2cccc(-c3nnn[n-]3)c2)ncn1 ZINC000735450911 575468247 /nfs/dbraw/zinc/46/82/47/575468247.db2.gz JPCJVAPBNUVFJI-UHFFFAOYSA-N -1 3 294.322 1.801 20 30 CDEDHM Cc1cc(N=NC(C)c2cccc(-c3nn[n-]n3)c2)ncn1 ZINC000735450911 575468248 /nfs/dbraw/zinc/46/82/48/575468248.db2.gz JPCJVAPBNUVFJI-UHFFFAOYSA-N -1 3 294.322 1.801 20 30 CDEDHM CCOc1cc(C=NN2C(=O)CNC2=O)cc(Cl)c1[O-] ZINC000770617836 575474528 /nfs/dbraw/zinc/47/45/28/575474528.db2.gz FYQJXWQDIYCVMJ-UHFFFAOYSA-N -1 3 297.698 1.330 20 30 CDEDHM CC(C)[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735702571 575501284 /nfs/dbraw/zinc/50/12/84/575501284.db2.gz PKGAPXRSWYTVMA-VIFPVBQESA-N -1 3 284.323 1.969 20 30 CDEDHM CC(C)[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735702571 575501286 /nfs/dbraw/zinc/50/12/86/575501286.db2.gz PKGAPXRSWYTVMA-VIFPVBQESA-N -1 3 284.323 1.969 20 30 CDEDHM C[C@@H](CC#N)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735963597 575540571 /nfs/dbraw/zinc/54/05/71/575540571.db2.gz IDQCVVJYTDVTSW-JTQLQIEISA-N -1 3 284.323 1.170 20 30 CDEDHM C[C@@H](CC#N)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735963597 575540574 /nfs/dbraw/zinc/54/05/74/575540574.db2.gz IDQCVVJYTDVTSW-JTQLQIEISA-N -1 3 284.323 1.170 20 30 CDEDHM O=c1nc(C=N[O-])ccn1Cc1ccc(Cl)cc1 ZINC000736301840 575616116 /nfs/dbraw/zinc/61/61/16/575616116.db2.gz ACYSLWYHYUEGIA-UHFFFAOYSA-N -1 3 263.684 1.753 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1cnc(C#N)cn1 ZINC000737031456 575800074 /nfs/dbraw/zinc/80/00/74/575800074.db2.gz FGXOEZMGIVYCFB-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1cnc(C#N)cn1 ZINC000737031456 575800077 /nfs/dbraw/zinc/80/00/77/575800077.db2.gz FGXOEZMGIVYCFB-UHFFFAOYSA-N -1 3 295.262 1.329 20 30 CDEDHM CC1(C)CC(=N[N-]S(C)(=O)=O)c2ccc(F)cc2O1 ZINC000764698399 575934715 /nfs/dbraw/zinc/93/47/15/575934715.db2.gz FPEJXRMKGWEQEK-UHFFFAOYSA-N -1 3 286.328 1.640 20 30 CDEDHM C[C@H]1CC(=N[N-]S(C)(=O)=O)c2ccsc2S1 ZINC000764700140 575934999 /nfs/dbraw/zinc/93/49/99/575934999.db2.gz PKSRROZOCLHJTP-LURJTMIESA-N -1 3 276.408 1.886 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C[C@H](C)C#N ZINC000737291459 575935197 /nfs/dbraw/zinc/93/51/97/575935197.db2.gz MALJRGMFKMXHLP-SECBINFHSA-N -1 3 299.338 1.799 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C[C@H](C)C#N ZINC000737291459 575935200 /nfs/dbraw/zinc/93/52/00/575935200.db2.gz MALJRGMFKMXHLP-SECBINFHSA-N -1 3 299.338 1.799 20 30 CDEDHM Cc1ccccc1C(=N[N-]S(C)(=O)=O)C1CC1 ZINC000764704728 575936093 /nfs/dbraw/zinc/93/60/93/575936093.db2.gz QQVGPDAKIXECQO-UHFFFAOYSA-N -1 3 252.339 1.658 20 30 CDEDHM CS(=O)(=O)[N-]N=C1CCCCc2ccccc21 ZINC000764704385 575936209 /nfs/dbraw/zinc/93/62/09/575936209.db2.gz NMDTTZIVZDXNAV-UHFFFAOYSA-N -1 3 252.339 1.666 20 30 CDEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCO[C@@H](C3CC3)C2)c1[O-] ZINC000764888546 575960742 /nfs/dbraw/zinc/96/07/42/575960742.db2.gz MKETZDCNYUVXAH-YWAXEXRPSA-N -1 3 290.363 1.964 20 30 CDEDHM N#Cc1ccccc1OCCN1CCC[C@@H](C(=O)[O-])C1 ZINC000739147019 576171622 /nfs/dbraw/zinc/17/16/22/576171622.db2.gz ORIQIPRQCHZIEL-CYBMUJFWSA-N -1 3 274.320 1.734 20 30 CDEDHM Cc1cc(Cl)ccc1C=NN1CC(=O)[N-]C1=O ZINC000767361724 576183562 /nfs/dbraw/zinc/18/35/62/576183562.db2.gz QMVFMNZUABZRSQ-UHFFFAOYSA-N -1 3 251.673 1.534 20 30 CDEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000768882703 576315736 /nfs/dbraw/zinc/31/57/36/576315736.db2.gz VEKXTJBNJOFZLB-SECBINFHSA-N -1 3 273.745 1.561 20 30 CDEDHM C=CCCC(=O)COC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000761400700 576574342 /nfs/dbraw/zinc/57/43/42/576574342.db2.gz BZLRVVZGBZUHCA-UHFFFAOYSA-N -1 3 291.303 1.201 20 30 CDEDHM COc1cc(C(=O)/C=C/c2cn(C)nn2)c(OC)cc1[O-] ZINC000763106141 576713263 /nfs/dbraw/zinc/71/32/63/576713263.db2.gz OESNUVIKJFTKNT-SNAWJCMRSA-N -1 3 289.291 1.434 20 30 CDEDHM [O-]c1c(O)cccc1C=NNC(=S)NCC(F)(F)F ZINC000746494462 576779047 /nfs/dbraw/zinc/77/90/47/576779047.db2.gz AFFWLDXQXFFQAT-UHFFFAOYSA-N -1 3 293.270 1.458 20 30 CDEDHM Cc1ncc(CO)c(C=Nc2cccc(C(N)=O)c2)c1[O-] ZINC000747712563 576882143 /nfs/dbraw/zinc/88/21/43/576882143.db2.gz BFCUJCHARKALKC-UHFFFAOYSA-N -1 3 285.303 1.437 20 30 CDEDHM N#CCOc1ccc(Cn2cc(Cl)c(=O)[n-]c2=O)cc1 ZINC000754278657 576889845 /nfs/dbraw/zinc/88/98/45/576889845.db2.gz FEGIIINPGDMJIZ-UHFFFAOYSA-N -1 3 291.694 1.553 20 30 CDEDHM [O-]c1ccc(F)cc1C=NNc1ccc(-n2cccn2)nn1 ZINC000755658573 576954186 /nfs/dbraw/zinc/95/41/86/576954186.db2.gz XAQUJSSTVNJESI-UHFFFAOYSA-N -1 3 298.281 1.953 20 30 CDEDHM COc1ccc(C=NNS(=O)(=O)C(C)C)c([O-])c1 ZINC000749747696 576960840 /nfs/dbraw/zinc/96/08/40/576960840.db2.gz LOIGISOUGUTCQY-UHFFFAOYSA-N -1 3 272.326 1.063 20 30 CDEDHM Cc1cc[nH+]c([N-]N=C2C(=O)Nc3cc([O-])ccc32)c1 ZINC000755902152 576966988 /nfs/dbraw/zinc/96/69/88/576966988.db2.gz ZVAVXLKFENLCDK-UHFFFAOYSA-N -1 3 268.276 1.864 20 30 CDEDHM COC[C@@H](C#N)OC(=O)c1cccc(Cl)c1[O-] ZINC000751593118 577053982 /nfs/dbraw/zinc/05/39/82/577053982.db2.gz UJRUOOWRDNSFLD-SSDOTTSWSA-N -1 3 255.657 1.741 20 30 CDEDHM CC(C)N(CC(=O)[O-])Cc1cc(C#N)ccc1F ZINC000037994857 598079289 /nfs/dbraw/zinc/07/92/89/598079289.db2.gz BSHLBECZBNRLFR-UHFFFAOYSA-N -1 3 250.273 1.992 20 30 CDEDHM Cc1nn(CCCC(C)(C)C#N)c(N)c1-c1nnn[n-]1 ZINC000822500725 607329835 /nfs/dbraw/zinc/32/98/35/607329835.db2.gz DEWXONFPLVOOCW-UHFFFAOYSA-N -1 3 274.332 1.284 20 30 CDEDHM Cc1nn(CCCC(C)(C)C#N)c(N)c1-c1nn[n-]n1 ZINC000822500725 607329836 /nfs/dbraw/zinc/32/98/36/607329836.db2.gz DEWXONFPLVOOCW-UHFFFAOYSA-N -1 3 274.332 1.284 20 30 CDEDHM C#CCN(CC#CC)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000819698031 599581776 /nfs/dbraw/zinc/58/17/76/599581776.db2.gz QGATXGCRQPUJBY-UHFFFAOYSA-N -1 3 283.310 1.464 20 30 CDEDHM C#CCN(CC#CC)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000819698031 599581778 /nfs/dbraw/zinc/58/17/78/599581778.db2.gz QGATXGCRQPUJBY-UHFFFAOYSA-N -1 3 283.310 1.464 20 30 CDEDHM C#CC1CCN(C(=O)c2csc(-c3nnn[n-]3)c2)CC1 ZINC001602697104 1175363345 /nfs/dbraw/zinc/36/33/45/1175363345.db2.gz RMAGQSYLPXHHOY-UHFFFAOYSA-N -1 3 287.348 1.414 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C#N)CC(C)C ZINC000826245951 607680391 /nfs/dbraw/zinc/68/03/91/607680391.db2.gz NJCNXFFXHIGHEK-LBPRGKRZSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C#N)CC(C)C ZINC000826245951 607680392 /nfs/dbraw/zinc/68/03/92/607680392.db2.gz NJCNXFFXHIGHEK-LBPRGKRZSA-N -1 3 298.350 1.843 20 30 CDEDHM CC(C)N1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833500079 604601510 /nfs/dbraw/zinc/60/15/10/604601510.db2.gz UHNPERYAFLHQPA-UHFFFAOYSA-N -1 3 287.363 1.782 20 30 CDEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc[nH]1 ZINC001602746911 1175383350 /nfs/dbraw/zinc/38/33/50/1175383350.db2.gz RYLNRLQAYPTZHW-UHFFFAOYSA-N -1 3 253.269 1.641 20 30 CDEDHM C=CCSCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000819758820 606062698 /nfs/dbraw/zinc/06/26/98/606062698.db2.gz HZULWXOBJZIJSF-UHFFFAOYSA-N -1 3 262.342 1.593 20 30 CDEDHM C=CCSCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000819758820 606062704 /nfs/dbraw/zinc/06/27/04/606062704.db2.gz HZULWXOBJZIJSF-UHFFFAOYSA-N -1 3 262.342 1.593 20 30 CDEDHM C=CCN=C1NN=C(c2ccc(-c3nnn[n-]3)cc2)CS1 ZINC000819751003 606631325 /nfs/dbraw/zinc/63/13/25/606631325.db2.gz LMGCOGJKNONGNB-UHFFFAOYSA-N -1 3 299.363 1.449 20 30 CDEDHM C=CCN=C1NN=C(c2ccc(-c3nn[n-]n3)cc2)CS1 ZINC000819751003 606631326 /nfs/dbraw/zinc/63/13/26/606631326.db2.gz LMGCOGJKNONGNB-UHFFFAOYSA-N -1 3 299.363 1.449 20 30 CDEDHM CCC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)COC1 ZINC000820945423 606680644 /nfs/dbraw/zinc/68/06/44/606680644.db2.gz SNLFNYONODZNLR-UHFFFAOYSA-N -1 3 298.306 1.103 20 30 CDEDHM CCC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)COC1 ZINC000820945423 606680645 /nfs/dbraw/zinc/68/06/45/606680645.db2.gz SNLFNYONODZNLR-UHFFFAOYSA-N -1 3 298.306 1.103 20 30 CDEDHM CC[C@@H](C)CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000820869221 606702977 /nfs/dbraw/zinc/70/29/77/606702977.db2.gz FCCPVFLJVCDKDY-SSDOTTSWSA-N -1 3 289.368 1.854 20 30 CDEDHM CC[C@@H](C)CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000820869221 606702976 /nfs/dbraw/zinc/70/29/76/606702976.db2.gz FCCPVFLJVCDKDY-SSDOTTSWSA-N -1 3 289.368 1.854 20 30 CDEDHM C=C(C)COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819722497 606746122 /nfs/dbraw/zinc/74/61/22/606746122.db2.gz KNRJMVWPCBGSQA-UHFFFAOYSA-N -1 3 280.234 1.878 20 30 CDEDHM C=C(C)COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819722497 606746124 /nfs/dbraw/zinc/74/61/24/606746124.db2.gz KNRJMVWPCBGSQA-UHFFFAOYSA-N -1 3 280.234 1.878 20 30 CDEDHM C#CCCCCNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000819693828 606957270 /nfs/dbraw/zinc/95/72/70/606957270.db2.gz XFSYVRDQPUIGIN-UHFFFAOYSA-N -1 3 298.350 1.469 20 30 CDEDHM C#CCCCCNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000819693828 606957271 /nfs/dbraw/zinc/95/72/71/606957271.db2.gz XFSYVRDQPUIGIN-UHFFFAOYSA-N -1 3 298.350 1.469 20 30 CDEDHM C=CC[C@@H](CC)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001602811964 1175412307 /nfs/dbraw/zinc/41/23/07/1175412307.db2.gz SZIMHGSESRDUSP-MRVPVSSYSA-N -1 3 260.301 1.279 20 30 CDEDHM C=CC[C@@H](CC)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001602811964 1175412316 /nfs/dbraw/zinc/41/23/16/1175412316.db2.gz SZIMHGSESRDUSP-MRVPVSSYSA-N -1 3 260.301 1.279 20 30 CDEDHM CC1(C)C[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000824795752 607795239 /nfs/dbraw/zinc/79/52/39/607795239.db2.gz CKRCMJLBLNAFDG-LLVKDONJSA-N -1 3 282.307 1.723 20 30 CDEDHM CC1(C)C[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000824795752 607795240 /nfs/dbraw/zinc/79/52/40/607795240.db2.gz CKRCMJLBLNAFDG-LLVKDONJSA-N -1 3 282.307 1.723 20 30 CDEDHM Cc1c(C=NNCc2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC000826235283 607889477 /nfs/dbraw/zinc/88/94/77/607889477.db2.gz HAVYREDNTAXTEO-UHFFFAOYSA-N -1 3 296.338 1.032 20 30 CDEDHM Cc1c(C=NNCc2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826235283 607889478 /nfs/dbraw/zinc/88/94/78/607889478.db2.gz HAVYREDNTAXTEO-UHFFFAOYSA-N -1 3 296.338 1.032 20 30 CDEDHM c1cc(-c2nnn[n-]2)ccc1N=NCC[C@@H]1CCOC1 ZINC000823867502 608228549 /nfs/dbraw/zinc/22/85/49/608228549.db2.gz BDKCEAAYJDPEBJ-SNVBAGLBSA-N -1 3 272.312 1.691 20 30 CDEDHM c1cc(-c2nn[n-]n2)ccc1N=NCC[C@@H]1CCOC1 ZINC000823867502 608228551 /nfs/dbraw/zinc/22/85/51/608228551.db2.gz BDKCEAAYJDPEBJ-SNVBAGLBSA-N -1 3 272.312 1.691 20 30 CDEDHM C=CC[C@@H](NCc1c(F)cccc1OC)C(=O)[O-] ZINC001602842037 1175429474 /nfs/dbraw/zinc/42/94/74/1175429474.db2.gz JZCHGQFTCCDLGR-LLVKDONJSA-N -1 3 253.273 1.953 20 30 CDEDHM N#Cc1nccn1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826388010 608399924 /nfs/dbraw/zinc/39/99/24/608399924.db2.gz DTFSCYHTVLQDFP-UHFFFAOYSA-N -1 3 269.243 1.122 20 30 CDEDHM N#Cc1nccn1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826388010 608399926 /nfs/dbraw/zinc/39/99/26/608399926.db2.gz DTFSCYHTVLQDFP-UHFFFAOYSA-N -1 3 269.243 1.122 20 30 CDEDHM C#CC(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000823838969 608548620 /nfs/dbraw/zinc/54/86/20/608548620.db2.gz XJBKJPFFIKZSCA-UHFFFAOYSA-N -1 3 284.323 1.708 20 30 CDEDHM C#CC(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000823838969 608548622 /nfs/dbraw/zinc/54/86/22/608548622.db2.gz XJBKJPFFIKZSCA-UHFFFAOYSA-N -1 3 284.323 1.708 20 30 CDEDHM O=C(C=Cc1cncnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826402743 609269390 /nfs/dbraw/zinc/26/93/90/609269390.db2.gz AVGBBBRRCLRCED-LZCJLJQNSA-N -1 3 278.275 1.553 20 30 CDEDHM O=C(C=Cc1cncnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826402743 609269392 /nfs/dbraw/zinc/26/93/92/609269392.db2.gz AVGBBBRRCLRCED-LZCJLJQNSA-N -1 3 278.275 1.553 20 30 CDEDHM C#CCn1ccc(CN(CC)c2cc(=O)[n-]c(C)n2)n1 ZINC000893563748 618127391 /nfs/dbraw/zinc/12/73/91/618127391.db2.gz JGEVGMJZBULEOO-UHFFFAOYSA-N -1 3 271.324 1.347 20 30 CDEDHM C=CCOC[C@@H](NCc1ccccc1OCC)C(=O)[O-] ZINC000901808488 618259674 /nfs/dbraw/zinc/25/96/74/618259674.db2.gz FXFMLARIPRUJSC-CYBMUJFWSA-N -1 3 279.336 1.831 20 30 CDEDHM O=C1[C@H](NCc2nccc3ccccc32)CCCN1[O-] ZINC000895167212 619398598 /nfs/dbraw/zinc/39/85/98/619398598.db2.gz VQQPPEBAYWZKSC-CYBMUJFWSA-N -1 3 271.320 1.705 20 30 CDEDHM Cn1c2ccccc2nc1CN[C@H]1CCCN([O-])C1=O ZINC000895167632 619398766 /nfs/dbraw/zinc/39/87/66/619398766.db2.gz ZJVXPXNERVRBPL-NSHDSACASA-N -1 3 274.324 1.043 20 30 CDEDHM COc1ccc(C)cc1CN[C@H]1CCCN([O-])C1=O ZINC000895167498 619399255 /nfs/dbraw/zinc/39/92/55/619399255.db2.gz ZVMLUKXWMNEVSA-LBPRGKRZSA-N -1 3 264.325 1.473 20 30 CDEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)Cn1ccnn1 ZINC000840709077 620307015 /nfs/dbraw/zinc/30/70/15/620307015.db2.gz AVYXAIGQOBRJBD-MQOXYSQQSA-N -1 3 280.715 1.117 20 30 CDEDHM C=CCO[N-]C(=O)CCC(=O)N[C@@H](C)c1ccccc1 ZINC000897923300 621228139 /nfs/dbraw/zinc/22/81/39/621228139.db2.gz BFXGMQQCFCJJLI-LBPRGKRZSA-N -1 3 276.336 1.878 20 30 CDEDHM O=C(c1cn[nH]c(=O)c1)N([O-])Cc1ccc(F)cc1 ZINC000900093970 622693712 /nfs/dbraw/zinc/69/37/12/622693712.db2.gz DLAMKZUVENSHJN-UHFFFAOYSA-N -1 3 263.228 1.353 20 30 CDEDHM CCCCN([O-])C(=O)[C@H](COC)NC(=O)OC(C)(C)C ZINC000900682241 623369066 /nfs/dbraw/zinc/36/90/66/623369066.db2.gz MPDXQLSQHZASJM-JTQLQIEISA-N -1 3 290.360 1.544 20 30 CDEDHM C[C@@H]1C(=O)N(N=Cc2cc([O-])cc(Cl)c2)C(=O)N1C ZINC000901266147 624083987 /nfs/dbraw/zinc/08/39/87/624083987.db2.gz LTAADLKEEQWLJO-SSDOTTSWSA-N -1 3 281.699 1.662 20 30 CDEDHM C=CC(C)(C)CC(=O)N(CCN(C)C)CC(=O)[O-] ZINC000901421441 624230019 /nfs/dbraw/zinc/23/00/19/624230019.db2.gz AMNCOJXYXQGGMV-UHFFFAOYSA-N -1 3 256.346 1.064 20 30 CDEDHM C=C(C)[C@@H]1OCC[C@@H]1c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000903729990 626067354 /nfs/dbraw/zinc/06/73/54/626067354.db2.gz FDZFKGNVTRENLZ-KWQFWETISA-N -1 3 274.280 1.681 20 30 CDEDHM O=C([C@H]1CC(=O)N(C2CC2)C1)N([O-])Cc1ccc(F)cc1 ZINC000904174766 626210114 /nfs/dbraw/zinc/21/01/14/626210114.db2.gz IGFXSKOTDWQKEW-NSHDSACASA-N -1 3 292.310 1.554 20 30 CDEDHM CCCCN([O-])C(=O)CNC(=O)c1cccs1 ZINC000904208150 626212857 /nfs/dbraw/zinc/21/28/57/626212857.db2.gz NUGHZUDUSFUBEJ-UHFFFAOYSA-N -1 3 256.327 1.496 20 30 CDEDHM CCCCN([O-])C(=O)CNC(=O)CC1CCCC1 ZINC000904210653 626214428 /nfs/dbraw/zinc/21/44/28/626214428.db2.gz VYRIPPMEIMCHGS-UHFFFAOYSA-N -1 3 256.346 1.701 20 30 CDEDHM COC(=O)N[C@@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904190537 626215182 /nfs/dbraw/zinc/21/51/82/626215182.db2.gz MTMOVMONYMZUSV-QMMMGPOBSA-N -1 3 286.715 1.802 20 30 CDEDHM Cc1ccc(C(=O)/C=C/C(=O)[N-]OC2CCOCC2)cc1 ZINC000907477793 627675504 /nfs/dbraw/zinc/67/55/04/627675504.db2.gz SUGHSQVWYAXMDS-VOTSOKGWSA-N -1 3 289.331 1.961 20 30 CDEDHM C=CCCCC[N-]S(=O)(=O)c1cnc(OC)s1 ZINC000914386095 631393432 /nfs/dbraw/zinc/39/34/32/631393432.db2.gz RSGJXGLEQXQQHE-UHFFFAOYSA-N -1 3 276.383 1.786 20 30 CDEDHM CCCNN=Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000915965046 631880175 /nfs/dbraw/zinc/88/01/75/631880175.db2.gz BJJPWLHTCPYGSM-UHFFFAOYSA-N -1 3 253.258 1.643 20 30 CDEDHM CCOC(=O)[C@H](C#N)[N-]c1c(C)cccc1[N+](=O)[O-] ZINC001170374220 1162351813 /nfs/dbraw/zinc/35/18/13/1162351813.db2.gz QBMZGJVOVZXLGE-VIFPVBQESA-N -1 3 263.253 1.770 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](C#N)C1 ZINC001605540883 1163603053 /nfs/dbraw/zinc/60/30/53/1163603053.db2.gz BURUOGPALIZRHI-NSHDSACASA-N -1 3 268.324 1.915 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N(C)C[C@@H](C)C#N ZINC001605789816 1163672470 /nfs/dbraw/zinc/67/24/70/1163672470.db2.gz XCEFHNLLSOZVMP-VIFPVBQESA-N -1 3 284.323 1.407 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N(C)C[C@@H](C)C#N ZINC001605789816 1163672472 /nfs/dbraw/zinc/67/24/72/1163672472.db2.gz XCEFHNLLSOZVMP-VIFPVBQESA-N -1 3 284.323 1.407 20 30 CDEDHM Cc1coc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC001605995388 1163739903 /nfs/dbraw/zinc/73/99/03/1163739903.db2.gz TULQKAJTSFCYFP-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1coc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC001605995388 1163739904 /nfs/dbraw/zinc/73/99/04/1163739904.db2.gz TULQKAJTSFCYFP-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM N#CC(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1nc2ccccc2[nH]1 ZINC001608173738 1164433651 /nfs/dbraw/zinc/43/36/51/1164433651.db2.gz LYEYCMSKUGZYSY-AEJSXWLSSA-N -1 3 283.287 1.850 20 30 CDEDHM CC[C@H](C#N)NC(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609182304 1164822654 /nfs/dbraw/zinc/82/26/54/1164822654.db2.gz YLNPQHDQDYTAMY-FZKGZDJFSA-N -1 3 282.307 1.298 20 30 CDEDHM CC[C@H](C#N)NC(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609182304 1164822659 /nfs/dbraw/zinc/82/26/59/1164822659.db2.gz YLNPQHDQDYTAMY-FZKGZDJFSA-N -1 3 282.307 1.298 20 30 CDEDHM N#CC1(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001609493587 1164974464 /nfs/dbraw/zinc/97/44/64/1164974464.db2.gz LWIYIDQOSOBKCQ-UHFFFAOYSA-N -1 3 282.307 1.290 20 30 CDEDHM N#CC1(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001609493587 1164974470 /nfs/dbraw/zinc/97/44/70/1164974470.db2.gz LWIYIDQOSOBKCQ-UHFFFAOYSA-N -1 3 282.307 1.290 20 30 CDEDHM N#C[C@@]1(F)CCN(C(=O)c2cscc2-c2nnn[n-]2)C1 ZINC001609494670 1164975704 /nfs/dbraw/zinc/97/57/04/1164975704.db2.gz JWBOEMHEMQOPHE-NSHDSACASA-N -1 3 292.299 1.006 20 30 CDEDHM C=C[C@@H](C(=O)[O-])N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001609264261 1167938921 /nfs/dbraw/zinc/93/89/21/1167938921.db2.gz JFVQHGDKIMNRKD-ZJUUUORDSA-N -1 3 270.329 1.225 20 30 CDEDHM Cc1nc(C#N)n(Cc2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC001581412891 1172608617 /nfs/dbraw/zinc/60/86/17/1172608617.db2.gz YJCBHCPRUDFWHV-UHFFFAOYSA-N -1 3 297.297 1.739 20 30 CDEDHM Cc1nc(C#N)n(Cc2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC001581412891 1172608620 /nfs/dbraw/zinc/60/86/20/1172608620.db2.gz YJCBHCPRUDFWHV-UHFFFAOYSA-N -1 3 297.297 1.739 20 30 CDEDHM N#Cc1ccc(CNc2nnccc2-c2nnn[n-]2)cc1F ZINC001581872305 1172625715 /nfs/dbraw/zinc/62/57/15/1172625715.db2.gz VAHRMPKMZUYJTJ-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1ccc(CNc2nnccc2-c2nn[n-]n2)cc1F ZINC001581872305 1172625721 /nfs/dbraw/zinc/62/57/21/1172625721.db2.gz VAHRMPKMZUYJTJ-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1ccc(Sc2nnccc2-c2nnn[n-]2)c(F)c1 ZINC001581874143 1172626532 /nfs/dbraw/zinc/62/65/32/1172626532.db2.gz GGCQMFHRTPPFNA-UHFFFAOYSA-N -1 3 299.294 1.819 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588325819 1173024017 /nfs/dbraw/zinc/02/40/17/1173024017.db2.gz WPQSADQJHNYLKC-HNNXBMFYSA-N -1 3 283.335 1.707 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588325819 1173024022 /nfs/dbraw/zinc/02/40/22/1173024022.db2.gz WPQSADQJHNYLKC-HNNXBMFYSA-N -1 3 283.335 1.707 20 30 CDEDHM C#C[C@@H](CC)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588326235 1173028639 /nfs/dbraw/zinc/02/86/39/1173028639.db2.gz HOOPFBBBYHCJOT-MNOVXSKESA-N -1 3 299.334 1.162 20 30 CDEDHM C#C[C@@H](CC)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588326235 1173028644 /nfs/dbraw/zinc/02/86/44/1173028644.db2.gz HOOPFBBBYHCJOT-MNOVXSKESA-N -1 3 299.334 1.162 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c21 ZINC001588326793 1173028686 /nfs/dbraw/zinc/02/86/86/1173028686.db2.gz VHSPAJPNTNNSPM-VIFPVBQESA-N -1 3 294.318 1.490 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c21 ZINC001588326793 1173028694 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ZINC001588391492 1173060026 /nfs/dbraw/zinc/06/00/26/1173060026.db2.gz LXGLEBFJAXCNSU-UHFFFAOYSA-N -1 3 295.144 1.891 20 30 CDEDHM C=C(CC)CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588443052 1173062894 /nfs/dbraw/zinc/06/28/94/1173062894.db2.gz UJTSQFASRBXDTN-UHFFFAOYSA-N -1 3 271.324 1.871 20 30 CDEDHM C=C(CC)CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588443052 1173062901 /nfs/dbraw/zinc/06/29/01/1173062901.db2.gz UJTSQFASRBXDTN-UHFFFAOYSA-N -1 3 271.324 1.871 20 30 CDEDHM C=CCC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588582202 1173086198 /nfs/dbraw/zinc/08/61/98/1173086198.db2.gz HQODORODKCYVBN-LLVKDONJSA-N -1 3 286.339 1.766 20 30 CDEDHM C=CCC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588582202 1173086204 /nfs/dbraw/zinc/08/62/04/1173086204.db2.gz HQODORODKCYVBN-LLVKDONJSA-N -1 3 286.339 1.766 20 30 CDEDHM C=CCCNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588609974 1173088706 /nfs/dbraw/zinc/08/87/06/1173088706.db2.gz ZCKKVMRDJWEOHD-UHFFFAOYSA-N -1 3 283.335 1.591 20 30 CDEDHM C=CCCNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588609974 1173088713 /nfs/dbraw/zinc/08/87/13/1173088713.db2.gz ZCKKVMRDJWEOHD-UHFFFAOYSA-N -1 3 283.335 1.591 20 30 CDEDHM C=CCCN(C)c1nc2c(cc1-c1nnn[n-]1)COCC2 ZINC001588603175 1173088765 /nfs/dbraw/zinc/08/87/65/1173088765.db2.gz FYHGUQNIRJPGMX-UHFFFAOYSA-N -1 3 286.339 1.347 20 30 CDEDHM C=CCCN(C)c1nc2c(cc1-c1nn[n-]n1)COCC2 ZINC001588603175 1173088770 /nfs/dbraw/zinc/08/87/70/1173088770.db2.gz FYHGUQNIRJPGMX-UHFFFAOYSA-N -1 3 286.339 1.347 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588718429 1173099049 /nfs/dbraw/zinc/09/90/49/1173099049.db2.gz LNCNWQLHBZTCEP-NEPJUHHUSA-N -1 3 286.339 1.716 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588718429 1173099051 /nfs/dbraw/zinc/09/90/51/1173099051.db2.gz LNCNWQLHBZTCEP-NEPJUHHUSA-N -1 3 286.339 1.716 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001588718640 1173099758 /nfs/dbraw/zinc/09/97/58/1173099758.db2.gz 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/nfs/dbraw/zinc/10/45/51/1173104551.db2.gz HAOMRDXPSULBGS-ZETCQYMHSA-N -1 3 299.260 1.526 20 30 CDEDHM CC(C)(C#N)CNc1nc2c(cc1-c1nnn[n-]1)COCC2 ZINC001589036202 1173123104 /nfs/dbraw/zinc/12/31/04/1173123104.db2.gz YCTCQIKJLPWPSS-UHFFFAOYSA-N -1 3 299.338 1.296 20 30 CDEDHM CC(C)(C#N)CNc1nc2c(cc1-c1nn[n-]n1)COCC2 ZINC001589036202 1173123106 /nfs/dbraw/zinc/12/31/06/1173123106.db2.gz YCTCQIKJLPWPSS-UHFFFAOYSA-N -1 3 299.338 1.296 20 30 CDEDHM C[C@@H](CC#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589787318 1173181028 /nfs/dbraw/zinc/18/10/28/1173181028.db2.gz PGNXQNZYCMSLPT-ZETCQYMHSA-N -1 3 274.259 1.494 20 30 CDEDHM C[C@@H](CC#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589787318 1173181033 /nfs/dbraw/zinc/18/10/33/1173181033.db2.gz PGNXQNZYCMSLPT-ZETCQYMHSA-N -1 3 274.259 1.494 20 30 CDEDHM CC1(C)C[C@]1(C#N)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590085823 1173251530 /nfs/dbraw/zinc/25/15/30/1173251530.db2.gz VDIAASSWMWSWIV-CQSZACIVSA-N -1 3 282.307 1.289 20 30 CDEDHM CC1(C)C[C@]1(C#N)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590085823 1173251534 /nfs/dbraw/zinc/25/15/34/1173251534.db2.gz VDIAASSWMWSWIV-CQSZACIVSA-N -1 3 282.307 1.289 20 30 CDEDHM CC1(C)OCC[C@@H]1NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC001590118115 1173262932 /nfs/dbraw/zinc/26/29/32/1173262932.db2.gz KWJUORVEHLTOAX-LBPRGKRZSA-N -1 3 286.339 1.358 20 30 CDEDHM CC1(C)OCC[C@@H]1NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC001590118115 1173262935 /nfs/dbraw/zinc/26/29/35/1173262935.db2.gz KWJUORVEHLTOAX-LBPRGKRZSA-N -1 3 286.339 1.358 20 30 CDEDHM C[C@@H]1SCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001590336755 1173363296 /nfs/dbraw/zinc/36/32/96/1173363296.db2.gz LTCFQZAWFLSLMD-VIFPVBQESA-N -1 3 288.380 1.838 20 30 CDEDHM C[C@@H]1SCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001590336755 1173363303 /nfs/dbraw/zinc/36/33/03/1173363303.db2.gz LTCFQZAWFLSLMD-VIFPVBQESA-N -1 3 288.380 1.838 20 30 CDEDHM CCC(=NN1CCN(C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359233 1173374971 /nfs/dbraw/zinc/37/49/71/1173374971.db2.gz VAZBUWVATVUUNI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/62/52/16/1173625216.db2.gz YXHJBWDFSWHKQK-LLVKDONJSA-N -1 3 284.323 1.354 20 30 CDEDHM Cc1c(C(=O)N([C@H](C)C#N)C2CC2)cccc1-c1nnn[n-]1 ZINC001591802039 1173706872 /nfs/dbraw/zinc/70/68/72/1173706872.db2.gz NUIMDLNFFUCETC-SECBINFHSA-N -1 3 296.334 1.692 20 30 CDEDHM Cc1c(C(=O)N([C@H](C)C#N)C2CC2)cccc1-c1nn[n-]n1 ZINC001591802039 1173706877 /nfs/dbraw/zinc/70/68/77/1173706877.db2.gz NUIMDLNFFUCETC-SECBINFHSA-N -1 3 296.334 1.692 20 30 CDEDHM Cc1cc(N[C@@H](C)CC#N)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592034443 1173778389 /nfs/dbraw/zinc/77/83/89/1173778389.db2.gz PFUKWOCQYRQPJH-QMMMGPOBSA-N -1 3 287.283 1.797 20 30 CDEDHM Cc1cc(N[C@@H](C)CC#N)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592034443 1173778397 /nfs/dbraw/zinc/77/83/97/1173778397.db2.gz PFUKWOCQYRQPJH-QMMMGPOBSA-N -1 3 287.283 1.797 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1cc(C)ccc1C ZINC001592140397 1173812849 /nfs/dbraw/zinc/81/28/49/1173812849.db2.gz GKBOSROTPPCCJR-UHFFFAOYSA-N -1 3 293.334 1.908 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1cc(C)ccc1C ZINC001592140397 1173812852 /nfs/dbraw/zinc/81/28/52/1173812852.db2.gz GKBOSROTPPCCJR-UHFFFAOYSA-N -1 3 293.334 1.908 20 30 CDEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001592673137 1173962897 /nfs/dbraw/zinc/96/28/97/1173962897.db2.gz VCICIKZGGLMOFG-PSASIEDQSA-N -1 3 286.295 1.434 20 30 CDEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001592673137 1173962901 /nfs/dbraw/zinc/96/29/01/1173962901.db2.gz VCICIKZGGLMOFG-PSASIEDQSA-N -1 3 286.295 1.434 20 30 CDEDHM N#CC1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592672250 1173963113 /nfs/dbraw/zinc/96/31/13/1173963113.db2.gz GFOBEVSPGNZCTJ-UHFFFAOYSA-N -1 3 296.334 1.171 20 30 CDEDHM N#CC1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592672250 1173963123 /nfs/dbraw/zinc/96/31/23/1173963123.db2.gz GFOBEVSPGNZCTJ-UHFFFAOYSA-N -1 3 296.334 1.171 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2c[nH]nc2C1 ZINC001592699159 1173975394 /nfs/dbraw/zinc/97/53/94/1173975394.db2.gz QDIRSYSRQWAILM-UHFFFAOYSA-N -1 3 292.306 1.024 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC[C@H]1CCOC1 ZINC001592700004 1173975815 /nfs/dbraw/zinc/97/58/15/1173975815.db2.gz WQFKEXPJRUEPML-JTQLQIEISA-N -1 3 284.323 1.577 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC[C@H]1CCOC1 ZINC001592700004 1173975829 /nfs/dbraw/zinc/97/58/29/1173975829.db2.gz WQFKEXPJRUEPML-JTQLQIEISA-N -1 3 284.323 1.577 20 30 CDEDHM N#Cc1ncccc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC001592709702 1173980654 /nfs/dbraw/zinc/98/06/54/1173980654.db2.gz LZUGMTTZVPODFI-UHFFFAOYSA-N -1 3 299.681 1.974 20 30 CDEDHM N#Cc1ncccc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC001592709702 1173980659 /nfs/dbraw/zinc/98/06/59/1173980659.db2.gz LZUGMTTZVPODFI-UHFFFAOYSA-N -1 3 299.681 1.974 20 30 CDEDHM O=C(C#CC1CC1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC001592767867 1173988650 /nfs/dbraw/zinc/98/86/50/1173988650.db2.gz OQBGZVAMHHRXKG-UHFFFAOYSA-N -1 3 268.276 1.323 20 30 CDEDHM O=C(C#CC1CC1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC001592767867 1173988655 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20 30 CDEDHM C=C(CC)CNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000568484726 371225080 /nfs/dbraw/zinc/22/50/80/371225080.db2.gz DXAQWVWIUVSTBB-UHFFFAOYSA-N -1 3 262.309 1.204 20 30 CDEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C#N)CC2)c1 ZINC000573048358 371389248 /nfs/dbraw/zinc/38/92/48/371389248.db2.gz QEODITFFNIFWHR-UHFFFAOYSA-N -1 3 295.751 1.794 20 30 CDEDHM CC#CCCCC(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000185035243 372659213 /nfs/dbraw/zinc/65/92/13/372659213.db2.gz YBQPTAFAUWCABG-UHFFFAOYSA-N -1 3 263.297 1.719 20 30 CDEDHM CC#CCCCC(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000185035243 372659222 /nfs/dbraw/zinc/65/92/22/372659222.db2.gz YBQPTAFAUWCABG-UHFFFAOYSA-N -1 3 263.297 1.719 20 30 CDEDHM N#Cc1nc(NCc2ncccc2[O-])ccc1Cl ZINC000359910470 373992122 /nfs/dbraw/zinc/99/21/22/373992122.db2.gz ZXBDJNAAMNLCRM-UHFFFAOYSA-N -1 3 260.684 1.741 20 30 CDEDHM N#CC(=C([O-])c1cccc(OCC(N)=O)c1)c1ccccn1 ZINC000041481523 374737461 /nfs/dbraw/zinc/73/74/61/374737461.db2.gz VJTRXOFQEIELII-CYBMUJFWSA-N -1 3 295.298 1.436 20 30 CDEDHM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000328655715 375909784 /nfs/dbraw/zinc/90/97/84/375909784.db2.gz NDKANIXXCZPKAE-LHLIQPBNSA-N -1 3 291.286 1.767 20 30 CDEDHM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000328655715 375909789 /nfs/dbraw/zinc/90/97/89/375909789.db2.gz NDKANIXXCZPKAE-LHLIQPBNSA-N -1 3 291.286 1.767 20 30 CDEDHM C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328655715 375909794 /nfs/dbraw/zinc/90/97/94/375909794.db2.gz NDKANIXXCZPKAE-LHLIQPBNSA-N -1 3 291.286 1.767 20 30 CDEDHM N#CCCC1CCN(c2nc3nncc-3c(O)[n-]2)CC1 ZINC000571758090 377509409 /nfs/dbraw/zinc/50/94/09/377509409.db2.gz NURGEIADDVKRRA-UHFFFAOYSA-N -1 3 272.312 1.579 20 30 CDEDHM C=CCCCS(=O)(=O)[N-]Cc1nc(C(F)F)no1 ZINC000632480792 377517381 /nfs/dbraw/zinc/51/73/81/377517381.db2.gz XWUCXKVCYUQIMP-UHFFFAOYSA-N -1 3 281.284 1.393 20 30 CDEDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C#N)c[nH]3)[n-]2)o1 ZINC000160172200 377674168 /nfs/dbraw/zinc/67/41/68/377674168.db2.gz UUPLATRPCSFWEL-UHFFFAOYSA-N -1 3 282.263 1.825 20 30 CDEDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C#N)c[nH]3)n2)o1 ZINC000160172200 377674176 /nfs/dbraw/zinc/67/41/76/377674176.db2.gz UUPLATRPCSFWEL-UHFFFAOYSA-N -1 3 282.263 1.825 20 30 CDEDHM Cc1ccc(-c2nc(NC(=O)c3cc(C#N)c[nH]3)n[n-]2)o1 ZINC000160172200 377674182 /nfs/dbraw/zinc/67/41/82/377674182.db2.gz UUPLATRPCSFWEL-UHFFFAOYSA-N -1 3 282.263 1.825 20 30 CDEDHM Cc1ncc(CNC(=O)c2cccc(CC#N)c2)c(=O)[n-]1 ZINC000345097296 377839349 /nfs/dbraw/zinc/83/93/49/377839349.db2.gz RIHIZCOJRQRWJV-UHFFFAOYSA-N -1 3 282.303 1.487 20 30 CDEDHM C#CCCCCNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000282447189 378058397 /nfs/dbraw/zinc/05/83/97/378058397.db2.gz JXPDJSQJMQRDCI-UHFFFAOYSA-N -1 3 260.272 1.630 20 30 CDEDHM C#CCCCCNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000282447189 378058406 /nfs/dbraw/zinc/05/84/06/378058406.db2.gz JXPDJSQJMQRDCI-UHFFFAOYSA-N -1 3 260.272 1.630 20 30 CDEDHM C#CCCCCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000282447189 378058412 /nfs/dbraw/zinc/05/84/12/378058412.db2.gz JXPDJSQJMQRDCI-UHFFFAOYSA-N -1 3 260.272 1.630 20 30 CDEDHM C=C[C@H](CO)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000290665098 378400989 /nfs/dbraw/zinc/40/09/89/378400989.db2.gz RZLVSINIMXHUPD-GFCCVEGCSA-N -1 3 261.321 1.548 20 30 CDEDHM C=C(C)[C@@H](CC(=O)[N-]OCCCC(=O)OC)OCC ZINC000290779871 378406613 /nfs/dbraw/zinc/40/66/13/378406613.db2.gz WNTBBVMQNYIXHL-LLVKDONJSA-N -1 3 273.329 1.359 20 30 CDEDHM C=CCCCS(=O)(=O)[N-]c1cnccc1NC(C)=O ZINC000291802487 378479530 /nfs/dbraw/zinc/47/95/30/378479530.db2.gz BMRJGLHWUXLJPB-UHFFFAOYSA-N -1 3 283.353 1.748 20 30 CDEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000320597147 378499180 /nfs/dbraw/zinc/49/91/80/378499180.db2.gz CRTMVLHESACBIL-JTQLQIEISA-N -1 3 291.319 1.570 20 30 CDEDHM N#Cc1cccc(/C=C/C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000493190781 253394023 /nfs/dbraw/zinc/39/40/23/253394023.db2.gz BBTVSQHLXSUAIF-KTRBRXNASA-N -1 3 285.303 1.068 20 30 CDEDHM C[C@H]([C@H](C)/N=C/c1ccc(O)c([O-])c1O)N1CCOCC1 ZINC000105356504 390507068 /nfs/dbraw/zinc/50/70/68/390507068.db2.gz MRXPIMRZMFOCNZ-LJJSPEIYSA-N -1 3 294.351 1.332 20 30 CDEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)CCc1ccccc1 ZINC000351079875 391036728 /nfs/dbraw/zinc/03/67/28/391036728.db2.gz SXOJJIGISLSPHL-ZDUSSCGKSA-N -1 3 298.433 1.794 20 30 CDEDHM CO[C@H](C[N-]S(=O)(=O)[C@H](C)C#N)c1ccccc1 ZINC000352427712 391134910 /nfs/dbraw/zinc/13/49/10/391134910.db2.gz JMPSBURDMQDUCZ-ZYHUDNBSSA-N -1 3 268.338 1.206 20 30 CDEDHM N#CCSCC(=O)N1CCCc2cccc([O-])c21 ZINC000182938558 391246871 /nfs/dbraw/zinc/24/68/71/391246871.db2.gz WHHOAOXAKVNXEA-UHFFFAOYSA-N -1 3 262.334 1.928 20 30 CDEDHM CCOC(=O)C[C@H](C)C/N=C/c1c([O-])c(C)ncc1CO ZINC000270522912 391276515 /nfs/dbraw/zinc/27/65/15/391276515.db2.gz TZZLQMDZVFSUFJ-MDKXCRPYSA-N -1 3 294.351 1.596 20 30 CDEDHM N#CCc1ccc(C(=O)N2CCc3c(=O)[n-]cnc3C2)cc1 ZINC000348831926 391461221 /nfs/dbraw/zinc/46/12/21/391461221.db2.gz CVPQCOGJFBAGGH-UHFFFAOYSA-N -1 3 294.314 1.447 20 30 CDEDHM CNC(=O)[C@@H]1CCCCN1C(=O)c1csc(=O)[n-]1 ZINC000329899994 391796721 /nfs/dbraw/zinc/79/67/21/391796721.db2.gz FWVGSOFABSTRJM-QMMMGPOBSA-N -1 3 269.326 1.430 20 30 CDEDHM Cn1c(CNC(=O)c2csc(=O)[n-]2)nnc1C1CCC1 ZINC000329954794 391806344 /nfs/dbraw/zinc/80/63/44/391806344.db2.gz OQGNZQLAHCGKJR-UHFFFAOYSA-N -1 3 293.352 1.750 20 30 CDEDHM N#Cc1c(F)cccc1Sc1n[n-]c(CO)n1 ZINC000526073954 392946365 /nfs/dbraw/zinc/94/63/65/392946365.db2.gz DNVDUHOIHRTVRF-UHFFFAOYSA-N -1 3 250.258 1.459 20 30 CDEDHM COCc1ccc([N-]S(=O)(=O)C[C@H](C)OC)cc1C#N ZINC000530144040 393047310 /nfs/dbraw/zinc/04/73/10/393047310.db2.gz BGKYEOSSCACEPH-JTQLQIEISA-N -1 3 298.364 1.481 20 30 CDEDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(C#N)s1)C1CC1 ZINC000310802399 149202333 /nfs/dbraw/zinc/20/23/33/149202333.db2.gz GZVDZYFDROJOCJ-NSHDSACASA-N -1 3 286.378 1.059 20 30 CDEDHM N#Cc1cccc(NC(=O)CNC(=O)c2cccc([O-])c2)c1 ZINC000348966243 154015982 /nfs/dbraw/zinc/01/59/82/154015982.db2.gz DDHVNYCOHOVKPS-UHFFFAOYSA-N -1 3 295.298 1.632 20 30 CDEDHM C#CC[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001588337831 1173029562 /nfs/dbraw/zinc/02/95/62/1173029562.db2.gz WYMIUSRFWCBJQQ-SECBINFHSA-N -1 3 274.353 1.481 20 30 CDEDHM C#CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000008225215 170325598 /nfs/dbraw/zinc/32/55/98/170325598.db2.gz XYEAIZSKZGXRGG-UHFFFAOYSA-N -1 3 264.133 1.905 20 30 CDEDHM C(=NOC[C@@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC001588384456 1173056575 /nfs/dbraw/zinc/05/65/75/1173056575.db2.gz PFPZEOJFGVBWFY-LLVKDONJSA-N -1 3 273.296 1.254 20 30 CDEDHM C(=NOC[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC001588384456 1173056580 /nfs/dbraw/zinc/05/65/80/1173056580.db2.gz PFPZEOJFGVBWFY-LLVKDONJSA-N -1 3 273.296 1.254 20 30 CDEDHM N#Cc1ccc(CS(=O)(=O)[N-]C2(C#N)CCCC2)cc1 ZINC000040216061 174204972 /nfs/dbraw/zinc/20/49/72/174204972.db2.gz DLIVSCDBXFFYSN-UHFFFAOYSA-N -1 3 289.360 1.814 20 30 CDEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000040362472 174246796 /nfs/dbraw/zinc/24/67/96/174246796.db2.gz NDPYDCTVNJFOOS-ZETCQYMHSA-N -1 3 278.255 1.896 20 30 CDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC=C)ccc1F ZINC000045268033 175339894 /nfs/dbraw/zinc/33/98/94/175339894.db2.gz OXLOCTYXYVTVQL-UHFFFAOYSA-N -1 3 298.339 1.206 20 30 CDEDHM C=CC(C)(C)CNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588489154 1173069104 /nfs/dbraw/zinc/06/91/04/1173069104.db2.gz XITBFUDUHVKEKY-UHFFFAOYSA-N -1 3 287.327 1.595 20 30 CDEDHM C=CC(C)(C)CNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588489154 1173069108 /nfs/dbraw/zinc/06/91/08/1173069108.db2.gz XITBFUDUHVKEKY-UHFFFAOYSA-N -1 3 287.327 1.595 20 30 CDEDHM C=C[C@@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588515958 1173073019 /nfs/dbraw/zinc/07/30/19/1173073019.db2.gz MIWKEIYAWLVIQE-HSTULFTRSA-N -1 3 270.292 1.998 20 30 CDEDHM C=C[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588515958 1173073025 /nfs/dbraw/zinc/07/30/25/1173073025.db2.gz MIWKEIYAWLVIQE-HSTULFTRSA-N -1 3 270.292 1.998 20 30 CDEDHM C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1csc(-c2nnn[n-]2)c1 ZINC001588525906 1173076351 /nfs/dbraw/zinc/07/63/51/1173076351.db2.gz NEGKGPJFMMWHSG-VIFPVBQESA-N -1 3 293.352 1.437 20 30 CDEDHM C=CCCNS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588609594 1173089455 /nfs/dbraw/zinc/08/94/55/1173089455.db2.gz RGHOHKCCPCWALY-UHFFFAOYSA-N -1 3 293.352 1.030 20 30 CDEDHM C=CCCNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588609594 1173089459 /nfs/dbraw/zinc/08/94/59/1173089459.db2.gz RGHOHKCCPCWALY-UHFFFAOYSA-N -1 3 293.352 1.030 20 30 CDEDHM C=CCN(C)c1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001588626843 1173091931 /nfs/dbraw/zinc/09/19/31/1173091931.db2.gz SIGJZWRGNHTWBM-UHFFFAOYSA-N -1 3 264.720 1.846 20 30 CDEDHM C=CCN(C)c1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001588626843 1173091935 /nfs/dbraw/zinc/09/19/35/1173091935.db2.gz SIGJZWRGNHTWBM-UHFFFAOYSA-N -1 3 264.720 1.846 20 30 CDEDHM C[C@@H](C#N)OCCNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588934301 1173114874 /nfs/dbraw/zinc/11/48/74/1173114874.db2.gz IMLCYCMOYHWGFF-QMMMGPOBSA-N -1 3 276.275 1.346 20 30 CDEDHM C[C@@H](C#N)OCCNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588934301 1173114879 /nfs/dbraw/zinc/11/48/79/1173114879.db2.gz IMLCYCMOYHWGFF-QMMMGPOBSA-N -1 3 276.275 1.346 20 30 CDEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccn(C)n2)C1 ZINC000330060070 228029260 /nfs/dbraw/zinc/02/92/60/228029260.db2.gz MBUZNNMVERNAKD-CMPLNLGQSA-N -1 3 282.369 1.171 20 30 CDEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000452018243 263026986 /nfs/dbraw/zinc/02/69/86/263026986.db2.gz CIDZNWGHUCGCSV-GFCCVEGCSA-N -1 3 298.339 1.303 20 30 CDEDHM CC#CCC[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000354072869 263043090 /nfs/dbraw/zinc/04/30/90/263043090.db2.gz SSDXOJARLGLURR-UHFFFAOYSA-N -1 3 255.314 1.826 20 30 CDEDHM C=CCSCC[N-]S(=O)(=O)c1ccccn1 ZINC000340078696 263067178 /nfs/dbraw/zinc/06/71/78/263067178.db2.gz KYVQVWVPLRZLJB-UHFFFAOYSA-N -1 3 258.368 1.279 20 30 CDEDHM C#CCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000119930315 263278751 /nfs/dbraw/zinc/27/87/51/263278751.db2.gz GWGGTUNGCCHOAF-UHFFFAOYSA-N -1 3 269.308 1.999 20 30 CDEDHM C#CCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000119930315 263278752 /nfs/dbraw/zinc/27/87/52/263278752.db2.gz GWGGTUNGCCHOAF-UHFFFAOYSA-N -1 3 269.308 1.999 20 30 CDEDHM C=CCOc1ccc(CNC2(C(=O)[O-])CC2)cc1OC ZINC000340679563 263285878 /nfs/dbraw/zinc/28/58/78/263285878.db2.gz NMBXFVPCLUYLOJ-UHFFFAOYSA-N -1 3 277.320 1.967 20 30 CDEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)[C@H](C)c1ccccc1 ZINC000341333837 263332291 /nfs/dbraw/zinc/33/22/91/263332291.db2.gz FQWPPYFKVRCOLV-SNVBAGLBSA-N -1 3 293.348 1.705 20 30 CDEDHM C=CC[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000342379365 263427556 /nfs/dbraw/zinc/42/75/56/263427556.db2.gz QVZXCHBBTVQSOC-JTQLQIEISA-N -1 3 282.365 1.753 20 30 CDEDHM CCN(C)C(=O)[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000330969839 264092008 /nfs/dbraw/zinc/09/20/08/264092008.db2.gz AXRPRZCTAQKSGH-ZCFIWIBFSA-N -1 3 257.315 1.020 20 30 CDEDHM Cc1nc(C)c(C(=O)NCc2nnc(C(F)(F)F)[n-]2)o1 ZINC000331120479 264130455 /nfs/dbraw/zinc/13/04/55/264130455.db2.gz OJTCGWUZYNHQLH-UHFFFAOYSA-N -1 3 289.217 1.933 20 30 CDEDHM Cc1nc(C)c(C(=O)NCc2n[n-]c(C(F)(F)F)n2)o1 ZINC000331120479 264130457 /nfs/dbraw/zinc/13/04/57/264130457.db2.gz OJTCGWUZYNHQLH-UHFFFAOYSA-N -1 3 289.217 1.933 20 30 CDEDHM Cc1nc(C)c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)o1 ZINC000331120479 264130459 /nfs/dbraw/zinc/13/04/59/264130459.db2.gz OJTCGWUZYNHQLH-UHFFFAOYSA-N -1 3 289.217 1.933 20 30 CDEDHM COCC1(C#N)CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000357100159 266246888 /nfs/dbraw/zinc/24/68/88/266246888.db2.gz IXPWALNDLFPLSR-UHFFFAOYSA-N -1 3 274.320 1.785 20 30 CDEDHM CC1(C)CC[C@H](Cn2cnc(C#N)c2-c2nnn[n-]2)OC1 ZINC001590090195 1173253903 /nfs/dbraw/zinc/25/39/03/1173253903.db2.gz GDSDORZCRXXMHD-SECBINFHSA-N -1 3 287.327 1.140 20 30 CDEDHM CCCCNN=C(C)c1cccc(-c2nnn[n-]2)c1 ZINC001590604674 1173475423 /nfs/dbraw/zinc/47/54/23/1173475423.db2.gz RLZWYHNVOIQXFO-UHFFFAOYSA-N -1 3 258.329 1.980 20 30 CDEDHM CCCCNN=C(C)c1cccc(-c2nn[n-]n2)c1 ZINC001590604674 1173475427 /nfs/dbraw/zinc/47/54/27/1173475427.db2.gz RLZWYHNVOIQXFO-UHFFFAOYSA-N -1 3 258.329 1.980 20 30 CDEDHM C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C[C@H]1C(=O)[O-] ZINC000574755908 295049917 /nfs/dbraw/zinc/04/99/17/295049917.db2.gz JCQAIBHZTWBYOI-ZWNOBZJWSA-N -1 3 261.325 1.439 20 30 CDEDHM Cc1cc(NCCCC#N)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592046987 1173785698 /nfs/dbraw/zinc/78/56/98/1173785698.db2.gz YAOLAWBLBSLTHH-UHFFFAOYSA-N -1 3 287.283 1.799 20 30 CDEDHM Cc1cc(NCCCC#N)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592046987 1173785705 /nfs/dbraw/zinc/78/57/05/1173785705.db2.gz YAOLAWBLBSLTHH-UHFFFAOYSA-N -1 3 287.283 1.799 20 30 CDEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000341164392 328404247 /nfs/dbraw/zinc/40/42/47/328404247.db2.gz BUXZKTGUQHSZAA-VIFPVBQESA-N -1 3 290.772 1.198 20 30 CDEDHM CCc1ccc([O-])c(C(=O)NC[C@H](C)N2CCOCC2)c1 ZINC000330608625 328463598 /nfs/dbraw/zinc/46/35/98/328463598.db2.gz LEXKVEBBPFSAQT-LBPRGKRZSA-N -1 3 292.379 1.980 20 30 CDEDHM C=CCCCCN(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000584118803 327042905 /nfs/dbraw/zinc/04/29/05/327042905.db2.gz MISZIJDOQFRJBI-UHFFFAOYSA-N -1 3 282.384 1.598 20 30 CDEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC000313457897 327131739 /nfs/dbraw/zinc/13/17/39/327131739.db2.gz CTKTUKHGWYTLQD-LBPRGKRZSA-N -1 3 263.322 1.797 20 30 CDEDHM CC#CCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000359987700 328901006 /nfs/dbraw/zinc/90/10/06/328901006.db2.gz PJBCBIFJGDTLQP-UHFFFAOYSA-N -1 3 296.348 1.903 20 30 CDEDHM C=CCN(CCOC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000189181357 329376585 /nfs/dbraw/zinc/37/65/85/329376585.db2.gz UNFSUCDZDJJPOG-UHFFFAOYSA-N -1 3 282.315 1.875 20 30 CDEDHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000421227853 329809779 /nfs/dbraw/zinc/80/97/79/329809779.db2.gz DAKARUUDQGJCSE-RYUDHWBXSA-N -1 3 290.429 1.905 20 30 CDEDHM C=C(C)CCNC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000452716293 331072956 /nfs/dbraw/zinc/07/29/56/331072956.db2.gz HADCWJNGRFFTEW-UHFFFAOYSA-N -1 3 283.353 1.149 20 30 CDEDHM C=C(CC)CNC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000456815696 331205492 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C=CCn1cccc1C(=O)NCc1ncccc1[O-] ZINC000352508446 527387549 /nfs/dbraw/zinc/38/75/49/527387549.db2.gz MOLBVOMJKSQTGN-UHFFFAOYSA-N -1 3 257.293 1.705 20 30 CDEDHM N#CCCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737687603 574435888 /nfs/dbraw/zinc/43/58/88/574435888.db2.gz KJMCMIDNLALPLT-UHFFFAOYSA-N -1 3 287.283 1.881 20 30 CDEDHM N#CCCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737687603 574435889 /nfs/dbraw/zinc/43/58/89/574435889.db2.gz KJMCMIDNLALPLT-UHFFFAOYSA-N -1 3 287.283 1.881 20 30 CDEDHM CC(C)CN(CCC#N)CCC[N-]C(=O)C(F)(F)F ZINC000774622499 575221011 /nfs/dbraw/zinc/22/10/11/575221011.db2.gz IJKIRAYTHLNKMC-UHFFFAOYSA-N -1 3 279.306 1.927 20 30 CDEDHM COc1cccc([O-])c1/C=N\[C@H](C)[C@H]1CN(C)CCO1 ZINC000769775566 575383102 /nfs/dbraw/zinc/38/31/02/575383102.db2.gz YKFBJYIQXLLNTH-OCNPZJKKSA-N -1 3 278.352 1.539 20 30 CDEDHM CC(N=Nc1ccc(C(N)=O)nn1)c1sccc1[O-] ZINC000769794871 575385146 /nfs/dbraw/zinc/38/51/46/575385146.db2.gz WWZJELYMOOPZLL-UHFFFAOYSA-N -1 3 277.309 1.179 20 30 CDEDHM C=C1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735402257 575464523 /nfs/dbraw/zinc/46/45/23/575464523.db2.gz OIFVGYQBTMDTQR-UHFFFAOYSA-N -1 3 299.334 1.424 20 30 CDEDHM C=C1CCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735402257 575464527 /nfs/dbraw/zinc/46/45/27/575464527.db2.gz OIFVGYQBTMDTQR-UHFFFAOYSA-N -1 3 299.334 1.424 20 30 CDEDHM C=CCCCOC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000735534201 575477527 /nfs/dbraw/zinc/47/75/27/575477527.db2.gz QAPGXLJBDZLFJN-UHFFFAOYSA-N -1 3 263.293 1.631 20 30 CDEDHM COC(=O)c1cc(COC(=O)c2ccc(C#N)[n-]2)on1 ZINC000771011530 575529841 /nfs/dbraw/zinc/52/98/41/575529841.db2.gz CQBKMGYBCAWOLK-UHFFFAOYSA-N -1 3 275.220 1.018 20 30 CDEDHM N#Cc1cccc(C(=O)OCc2cc(=O)c([O-])co2)c1 ZINC000735959869 575539057 /nfs/dbraw/zinc/53/90/57/575539057.db2.gz KJZWHSBQHYEZCG-UHFFFAOYSA-N -1 3 271.228 1.574 20 30 CDEDHM CC(C#N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000736202320 575588477 /nfs/dbraw/zinc/58/84/77/575588477.db2.gz MATISMTVCOVJLK-TVQRCGJNSA-N -1 3 285.303 1.439 20 30 CDEDHM CCC[C@H](/N=C/c1ccc(O)c([O-])c1O)C(=O)OC ZINC000773154083 575786393 /nfs/dbraw/zinc/78/63/93/575786393.db2.gz WZIDKUUIUFOJGU-DUJAKZANSA-N -1 3 267.281 1.564 20 30 CDEDHM CCC(=NNS(=O)(=O)C(C)C)c1ccc([O-])c(F)c1 ZINC000764683275 575933494 /nfs/dbraw/zinc/93/34/94/575933494.db2.gz VFVWAXLKGMIDEI-UHFFFAOYSA-N -1 3 288.344 1.973 20 30 CDEDHM COc1cccc2cc(C(C)=N[N-]S(C)(=O)=O)oc21 ZINC000764704189 575936111 /nfs/dbraw/zinc/93/61/11/575936111.db2.gz KQGMRMKVZVFGFA-UHFFFAOYSA-N -1 3 282.321 1.715 20 30 CDEDHM C=CCN(CC(=O)[O-])C(=O)[C@@H](C)N1CCCCCC1 ZINC000737527641 575984334 /nfs/dbraw/zinc/98/43/34/575984334.db2.gz ZVPKRMCAVWRSDX-GFCCVEGCSA-N -1 3 268.357 1.350 20 30 CDEDHM C#CCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000765194738 575997080 /nfs/dbraw/zinc/99/70/80/575997080.db2.gz NRYLUWSHRDBTJC-UHFFFAOYSA-N -1 3 292.282 1.792 20 30 CDEDHM N#Cc1ccc(NC(=O)C[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC000737717057 576008317 /nfs/dbraw/zinc/00/83/17/576008317.db2.gz 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C#CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)C1CSC1 ZINC001588348577 1173046036 /nfs/dbraw/zinc/04/60/36/1173046036.db2.gz BYKZKEVSVBGMDP-UHFFFAOYSA-N -1 3 299.359 1.058 20 30 CDEDHM C#CCOCCN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001588363524 1173053525 /nfs/dbraw/zinc/05/35/25/1173053525.db2.gz LEGNQKDZBHORGT-UHFFFAOYSA-N -1 3 283.335 1.269 20 30 CDEDHM C#CCOCCN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001588363524 1173053532 /nfs/dbraw/zinc/05/35/32/1173053532.db2.gz LEGNQKDZBHORGT-UHFFFAOYSA-N -1 3 283.335 1.269 20 30 CDEDHM C(=NNCCc1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC001588381397 1173056735 /nfs/dbraw/zinc/05/67/35/1173056735.db2.gz AMGUPMRZLLEZDQ-UHFFFAOYSA-N -1 3 293.334 1.428 20 30 CDEDHM C(=NNCCc1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC001588381397 1173056743 /nfs/dbraw/zinc/05/67/43/1173056743.db2.gz AMGUPMRZLLEZDQ-UHFFFAOYSA-N -1 3 293.334 1.428 20 30 CDEDHM C=C(Cl)CNC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588449549 1173064234 /nfs/dbraw/zinc/06/42/34/1173064234.db2.gz SCWVIYKGRFRQGT-UHFFFAOYSA-N -1 3 293.714 1.358 20 30 CDEDHM C=C(Cl)CNC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588449549 1173064241 /nfs/dbraw/zinc/06/42/41/1173064241.db2.gz SCWVIYKGRFRQGT-UHFFFAOYSA-N -1 3 293.714 1.358 20 30 CDEDHM C=C[C@H](C)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588516281 1173073078 /nfs/dbraw/zinc/07/30/78/1173073078.db2.gz UXMIWBYPTLIUTC-JTQLQIEISA-N -1 3 283.335 1.589 20 30 CDEDHM C=C[C@H](C)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588516281 1173073082 /nfs/dbraw/zinc/07/30/82/1173073082.db2.gz UXMIWBYPTLIUTC-JTQLQIEISA-N -1 3 283.335 1.589 20 30 CDEDHM C=CCN(CCC#N)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588631503 1173094207 /nfs/dbraw/zinc/09/42/07/1173094207.db2.gz GFXLJDRSCFABAI-UHFFFAOYSA-N -1 3 297.322 1.112 20 30 CDEDHM C=CCN(CCC#N)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588631503 1173094212 /nfs/dbraw/zinc/09/42/12/1173094212.db2.gz GFXLJDRSCFABAI-UHFFFAOYSA-N -1 3 297.322 1.112 20 30 CDEDHM C=CCO[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccn2)C1 ZINC001588665247 1173095559 /nfs/dbraw/zinc/09/55/59/1173095559.db2.gz IDOXHNHYNXERFL-LLVKDONJSA-N -1 3 272.312 1.043 20 30 CDEDHM C=CCO[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccn2)C1 ZINC001588665247 1173095564 /nfs/dbraw/zinc/09/55/64/1173095564.db2.gz IDOXHNHYNXERFL-LLVKDONJSA-N -1 3 272.312 1.043 20 30 CDEDHM C=CCONC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588689117 1173098636 /nfs/dbraw/zinc/09/86/36/1173098636.db2.gz GCLNRWGDXYXHRN-UHFFFAOYSA-N -1 3 278.247 1.245 20 30 CDEDHM C=CCONC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588689117 1173098643 /nfs/dbraw/zinc/09/86/43/1173098643.db2.gz GCLNRWGDXYXHRN-UHFFFAOYSA-N -1 3 278.247 1.245 20 30 CDEDHM C[C@@H](C#N)CN(Cc1cncc(-c2nnn[n-]2)c1)C1CC1 ZINC001588933894 1173115770 /nfs/dbraw/zinc/11/57/70/1173115770.db2.gz BDYPQUNWBSPXDW-JTQLQIEISA-N -1 3 283.339 1.386 20 30 CDEDHM C[C@@H](C#N)CN(Cc1cncc(-c2nn[n-]n2)c1)C1CC1 ZINC001588933894 1173115775 /nfs/dbraw/zinc/11/57/75/1173115775.db2.gz BDYPQUNWBSPXDW-JTQLQIEISA-N -1 3 283.339 1.386 20 30 CDEDHM CC(C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589036061 1173120183 /nfs/dbraw/zinc/12/01/83/1173120183.db2.gz MHHWIOLJWFCWEC-NWDGAFQWSA-N -1 3 296.334 1.389 20 30 CDEDHM CC(C)(C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001589036061 1173120188 /nfs/dbraw/zinc/12/01/88/1173120188.db2.gz MHHWIOLJWFCWEC-NWDGAFQWSA-N -1 3 296.334 1.389 20 30 CDEDHM C[C@@H](CC#N)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001589787718 1173182371 /nfs/dbraw/zinc/18/23/71/1173182371.db2.gz QEZNCNCHMWIPPI-UWVGGRQHSA-N -1 3 284.323 1.594 20 30 CDEDHM C[C@@H](CC#N)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001589787718 1173182374 /nfs/dbraw/zinc/18/23/74/1173182374.db2.gz QEZNCNCHMWIPPI-UWVGGRQHSA-N -1 3 284.323 1.594 20 30 CDEDHM CC1(C#N)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590056324 1173242680 /nfs/dbraw/zinc/24/26/80/1173242680.db2.gz GVGMJPACERSBFL-UHFFFAOYSA-N -1 3 285.267 1.125 20 30 CDEDHM CC1(C#N)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590056324 1173242685 /nfs/dbraw/zinc/24/26/85/1173242685.db2.gz GVGMJPACERSBFL-UHFFFAOYSA-N -1 3 285.267 1.125 20 30 CDEDHM C[C@@]1(C#N)CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590056758 1173244319 /nfs/dbraw/zinc/24/43/19/1173244319.db2.gz RUKVOPALDWEBOH-ZDUSSCGKSA-N -1 3 299.294 1.515 20 30 CDEDHM C[C@@]1(C#N)CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590056758 1173244322 /nfs/dbraw/zinc/24/43/22/1173244322.db2.gz RUKVOPALDWEBOH-ZDUSSCGKSA-N -1 3 299.294 1.515 20 30 CDEDHM CCC(N=Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCOC1 ZINC001590359215 1173374324 /nfs/dbraw/zinc/37/43/24/1173374324.db2.gz UIQBCUVRUQZELT-JTQLQIEISA-N -1 3 287.327 1.476 20 30 CDEDHM CCC(N=Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCOC1 ZINC001590359215 1173374332 /nfs/dbraw/zinc/37/43/32/1173374332.db2.gz UIQBCUVRUQZELT-JTQLQIEISA-N -1 3 287.327 1.476 20 30 CDEDHM CC[C@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590372136 1173380014 /nfs/dbraw/zinc/38/00/14/1173380014.db2.gz PBAKTAWTCDJHFV-XVJNWHFHSA-N -1 3 296.334 1.688 20 30 CDEDHM CC[C@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590372136 1173380017 /nfs/dbraw/zinc/38/00/17/1173380017.db2.gz PBAKTAWTCDJHFV-XVJNWHFHSA-N -1 3 296.334 1.688 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590372130 1173381677 /nfs/dbraw/zinc/38/16/77/1173381677.db2.gz PBAKTAWTCDJHFV-HVHJFMEUSA-N -1 3 296.334 1.688 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590372130 1173381682 /nfs/dbraw/zinc/38/16/82/1173381682.db2.gz PBAKTAWTCDJHFV-HVHJFMEUSA-N -1 3 296.334 1.688 20 30 CDEDHM CC[C@@H](CC#N)NCc1cc(-c2nnn[n-]2)cnc1Cl ZINC001590419485 1173402086 /nfs/dbraw/zinc/40/20/86/1173402086.db2.gz MNGXHJNMKYWSSP-JTQLQIEISA-N -1 3 291.746 1.697 20 30 CDEDHM CC[C@@H](CC#N)NCc1cc(-c2nn[n-]n2)cnc1Cl ZINC001590419485 1173402088 /nfs/dbraw/zinc/40/20/88/1173402088.db2.gz MNGXHJNMKYWSSP-JTQLQIEISA-N -1 3 291.746 1.697 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N(CC#N)C1CC1 ZINC001591480231 1173660744 /nfs/dbraw/zinc/66/07/44/1173660744.db2.gz RLSBKPZDQSEJIC-UHFFFAOYSA-N -1 3 298.306 1.003 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N(CC#N)C1CC1 ZINC001591480231 1173660752 /nfs/dbraw/zinc/66/07/52/1173660752.db2.gz RLSBKPZDQSEJIC-UHFFFAOYSA-N -1 3 298.306 1.003 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1CN(C)CCC#N ZINC001591865071 1173729059 /nfs/dbraw/zinc/72/90/59/1173729059.db2.gz RHMXSBYBCIRDQS-UHFFFAOYSA-N -1 3 256.313 1.521 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1CN(C)CCC#N ZINC001591865071 1173729065 /nfs/dbraw/zinc/72/90/65/1173729065.db2.gz RHMXSBYBCIRDQS-UHFFFAOYSA-N -1 3 256.313 1.521 20 30 CDEDHM Cc1cc(CN2CCO[C@@](C)(C#N)C2)ccc1-c1nnn[n-]1 ZINC001591964190 1173756156 /nfs/dbraw/zinc/75/61/56/1173756156.db2.gz BOBBPRODZUCJSK-HNNXBMFYSA-N -1 3 298.350 1.290 20 30 CDEDHM Cc1cc(CN2CCO[C@@](C)(C#N)C2)ccc1-c1nn[n-]n1 ZINC001591964190 1173756159 /nfs/dbraw/zinc/75/61/59/1173756159.db2.gz BOBBPRODZUCJSK-HNNXBMFYSA-N -1 3 298.350 1.290 20 30 CDEDHM Cc1cc(Cn2ccnc2C#N)ccc1-c1nn[n-]n1 ZINC001591976987 1173762423 /nfs/dbraw/zinc/76/24/23/1173762423.db2.gz FVBZXIDBMKFHTD-UHFFFAOYSA-N -1 3 265.280 1.292 20 30 CDEDHM N#CC[C@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001592674015 1173966649 /nfs/dbraw/zinc/96/66/49/1173966649.db2.gz XCMIGPTUJWFDHN-LLVKDONJSA-N -1 3 293.334 1.868 20 30 CDEDHM N#CC[C@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001592674015 1173966656 /nfs/dbraw/zinc/96/66/56/1173966656.db2.gz XCMIGPTUJWFDHN-LLVKDONJSA-N -1 3 293.334 1.868 20 30 CDEDHM c1cc(N=NC2CCC23CCC3)ncc1-c1nnn[n-]1 ZINC001593561792 1174137819 /nfs/dbraw/zinc/13/78/19/1174137819.db2.gz YQVCRWJCJIWZBB-UHFFFAOYSA-N -1 3 269.312 1.994 20 30 CDEDHM c1cc(N=NC2CCC23CCC3)ncc1-c1nn[n-]n1 ZINC001593561792 1174137824 /nfs/dbraw/zinc/13/78/24/1174137824.db2.gz YQVCRWJCJIWZBB-UHFFFAOYSA-N -1 3 269.312 1.994 20 30 CDEDHM N#CCCCC[C@H](N)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001601064730 1174724861 /nfs/dbraw/zinc/72/48/61/1174724861.db2.gz HPWZXGJWESVURI-STQMWFEESA-N -1 3 295.383 1.547 20 30 CDEDHM N#CCC[C@H](C#N)CN[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001601066603 1174726063 /nfs/dbraw/zinc/72/60/63/1174726063.db2.gz OBQICGYSRKHJLK-LBELIVKGSA-N -1 3 261.325 1.519 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001602689501 1175353840 /nfs/dbraw/zinc/35/38/40/1175353840.db2.gz HIKPOBVWICFJCP-JTQLQIEISA-N -1 3 285.307 1.017 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001602689501 1175353848 /nfs/dbraw/zinc/35/38/48/1175353848.db2.gz HIKPOBVWICFJCP-JTQLQIEISA-N -1 3 285.307 1.017 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602690477 1175355593 /nfs/dbraw/zinc/35/55/93/1175355593.db2.gz WIWDYGDHYYXVGO-GHMZBOCLSA-N -1 3 299.334 1.114 20 30 CDEDHM C#CC1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2C)CC1 ZINC001602697697 1175363656 /nfs/dbraw/zinc/36/36/56/1175363656.db2.gz ZHLWTNNJRXYZTP-UHFFFAOYSA-N -1 3 296.334 1.056 20 30 CDEDHM C#CC1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2C)CC1 ZINC001602697697 1175363661 /nfs/dbraw/zinc/36/36/61/1175363661.db2.gz ZHLWTNNJRXYZTP-UHFFFAOYSA-N -1 3 296.334 1.056 20 30 CDEDHM C#CCN(CC)C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602720347 1175373172 /nfs/dbraw/zinc/37/31/72/1175373172.db2.gz VRKAJZVFFLPJLI-GFCCVEGCSA-N -1 3 297.362 1.527 20 30 CDEDHM C#CCN(CC)C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602720347 1175373179 /nfs/dbraw/zinc/37/31/79/1175373179.db2.gz VRKAJZVFFLPJLI-GFCCVEGCSA-N -1 3 297.362 1.527 20 30 CDEDHM C=C[C@H](C)NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602798900 1175405043 /nfs/dbraw/zinc/40/50/43/1175405043.db2.gz TVRYHEUYMCYWLC-QMMMGPOBSA-N -1 3 273.300 1.266 20 30 CDEDHM C=C[C@H](C)NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602798900 1175405046 /nfs/dbraw/zinc/40/50/46/1175405046.db2.gz TVRYHEUYMCYWLC-QMMMGPOBSA-N -1 3 273.300 1.266 20 30 CDEDHM C=C[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001602808006 1175411316 /nfs/dbraw/zinc/41/13/16/1175411316.db2.gz VIWYEAPOBYUPKE-JTQLQIEISA-N -1 3 274.303 1.946 20 30 CDEDHM C=C[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001602808006 1175411318 /nfs/dbraw/zinc/41/13/18/1175411318.db2.gz 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CDEDHM C#CCCCNC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588346047 1173048698 /nfs/dbraw/zinc/04/86/98/1173048698.db2.gz ZNLSOXUZFBTXQQ-UHFFFAOYSA-N -1 3 276.325 1.463 20 30 CDEDHM C#CCCCNC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588346047 1173048705 /nfs/dbraw/zinc/04/87/05/1173048705.db2.gz ZNLSOXUZFBTXQQ-UHFFFAOYSA-N -1 3 276.325 1.463 20 30 CDEDHM C#CCN(CC)C(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588350362 1173050134 /nfs/dbraw/zinc/05/01/34/1173050134.db2.gz QRIBPGGVEXELNS-UHFFFAOYSA-N -1 3 297.362 1.626 20 30 CDEDHM C#CCN(CC)C(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588350362 1173050145 /nfs/dbraw/zinc/05/01/45/1173050145.db2.gz QRIBPGGVEXELNS-UHFFFAOYSA-N -1 3 297.362 1.626 20 30 CDEDHM C(=NOCc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001588384358 1173056606 /nfs/dbraw/zinc/05/66/06/1173056606.db2.gz IVQWKPAUPWASCW-GFCCVEGCSA-N -1 3 273.296 1.548 20 30 CDEDHM C(=NOCc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001588384358 1173056611 /nfs/dbraw/zinc/05/66/11/1173056611.db2.gz IVQWKPAUPWASCW-GFCCVEGCSA-N -1 3 273.296 1.548 20 30 CDEDHM C=C[C@H](C)ONC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001588518776 1173073068 /nfs/dbraw/zinc/07/30/68/1173073068.db2.gz KZLRTWVJLOPYDQ-VIFPVBQESA-N -1 3 288.311 1.803 20 30 CDEDHM C=C[C@@H](COC)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001588525789 1173075583 /nfs/dbraw/zinc/07/55/83/1173075583.db2.gz KRKXCPPYEFAZPJ-ZJUUUORDSA-N -1 3 289.339 1.424 20 30 CDEDHM C=CC[C@H](CO)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001588545460 1173080904 /nfs/dbraw/zinc/08/09/04/1173080904.db2.gz HDSNDIUYJDHFAS-MRVPVSSYSA-N -1 3 294.746 1.572 20 30 CDEDHM C=CC[C@H](CO)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001588545460 1173080909 /nfs/dbraw/zinc/08/09/09/1173080909.db2.gz HDSNDIUYJDHFAS-MRVPVSSYSA-N -1 3 294.746 1.572 20 30 CDEDHM C=CC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588564163 1173084187 /nfs/dbraw/zinc/08/41/87/1173084187.db2.gz JJJOQXIPUDNJFH-SECBINFHSA-N -1 3 272.312 1.233 20 30 CDEDHM C=CC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588564163 1173084191 /nfs/dbraw/zinc/08/41/91/1173084191.db2.gz JJJOQXIPUDNJFH-SECBINFHSA-N -1 3 272.312 1.233 20 30 CDEDHM C=CCCNC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588609784 1173087963 /nfs/dbraw/zinc/08/79/63/1173087963.db2.gz URWXHVWXXAQJTO-UHFFFAOYSA-N -1 3 284.323 1.468 20 30 CDEDHM C=CCCNC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588609784 1173087966 /nfs/dbraw/zinc/08/79/66/1173087966.db2.gz URWXHVWXXAQJTO-UHFFFAOYSA-N -1 3 284.323 1.468 20 30 CDEDHM C=CCN(C)C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588626964 1173090389 /nfs/dbraw/zinc/09/03/89/1173090389.db2.gz XXZGFPZSWPZWOI-UHFFFAOYSA-N -1 3 257.297 1.433 20 30 CDEDHM C=CCN(C)C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588626964 1173090397 /nfs/dbraw/zinc/09/03/97/1173090397.db2.gz XXZGFPZSWPZWOI-UHFFFAOYSA-N -1 3 257.297 1.433 20 30 CDEDHM C=CCN(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588626862 1173091230 /nfs/dbraw/zinc/09/12/30/1173091230.db2.gz TVCXAFOEPFPFIX-CYBMUJFWSA-N -1 3 298.350 1.090 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1Nc1nccc(C)c1-c1nnn[n-]1 ZINC001588718205 1173100316 /nfs/dbraw/zinc/10/03/16/1173100316.db2.gz BKXBNJPBZQEUFH-MNOVXSKESA-N -1 3 286.339 1.716 20 30 CDEDHM C=C[C@@H]1OCCC[C@H]1Nc1nccc(C)c1-c1nn[n-]n1 ZINC001588718205 1173100317 /nfs/dbraw/zinc/10/03/17/1173100317.db2.gz BKXBNJPBZQEUFH-MNOVXSKESA-N -1 3 286.339 1.716 20 30 CDEDHM CC(N=Nc1ncccn1)c1cccc(-c2nnn[n-]2)c1 ZINC001588781227 1173106006 /nfs/dbraw/zinc/10/60/06/1173106006.db2.gz NIBJUVVZXOOZTC-UHFFFAOYSA-N -1 3 280.295 1.493 20 30 CDEDHM CC(N=Nc1ncccn1)c1cccc(-c2nn[n-]n2)c1 ZINC001588781227 1173106010 /nfs/dbraw/zinc/10/60/10/1173106010.db2.gz NIBJUVVZXOOZTC-UHFFFAOYSA-N -1 3 280.295 1.493 20 30 CDEDHM C[C@H](C#N)COC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588934617 1173116658 /nfs/dbraw/zinc/11/66/58/1173116658.db2.gz QNGCZRQMBYMVHF-SSDOTTSWSA-N -1 3 275.243 1.322 20 30 CDEDHM C[C@H](C#N)COC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588934617 1173116660 /nfs/dbraw/zinc/11/66/60/1173116660.db2.gz QNGCZRQMBYMVHF-SSDOTTSWSA-N -1 3 275.243 1.322 20 30 CDEDHM C[C@@H](C[C@H]1CCOC1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589801349 1173185159 /nfs/dbraw/zinc/18/51/59/1173185159.db2.gz BTLRLGIXJYMZLL-WDEREUQCSA-N -1 3 298.350 1.965 20 30 CDEDHM C[C@@H](C[C@H]1CCOC1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589801349 1173185161 /nfs/dbraw/zinc/18/51/61/1173185161.db2.gz BTLRLGIXJYMZLL-WDEREUQCSA-N -1 3 298.350 1.965 20 30 CDEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)C1CC1 ZINC001589991030 1173224766 /nfs/dbraw/zinc/22/47/66/1173224766.db2.gz OHXVJWCSXBVYBK-CQSZACIVSA-N -1 3 284.323 1.311 20 30 CDEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nn[n-]n1)C1CC1 ZINC001589991030 1173224771 /nfs/dbraw/zinc/22/47/71/1173224771.db2.gz OHXVJWCSXBVYBK-CQSZACIVSA-N -1 3 284.323 1.311 20 30 CDEDHM CN(Cc1cc(C#N)cs1)c1ccc(-c2nnn[n-]2)cn1 ZINC001591130714 1173574589 /nfs/dbraw/zinc/57/45/89/1173574589.db2.gz PMGVGPYKXQHMAZ-UHFFFAOYSA-N -1 3 297.347 1.831 20 30 CDEDHM CN(Cc1cc(C#N)cs1)c1ccc(-c2nn[n-]n2)cn1 ZINC001591130714 1173574592 /nfs/dbraw/zinc/57/45/92/1173574592.db2.gz PMGVGPYKXQHMAZ-UHFFFAOYSA-N -1 3 297.347 1.831 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)CC#N ZINC001591484506 1173661666 /nfs/dbraw/zinc/66/16/66/1173661666.db2.gz LHCDFXUBLXWAPU-QMMMGPOBSA-N -1 3 287.279 1.334 20 30 CDEDHM COc1cc(C(=O)OC(C)(C)C#N)ccc1-c1nnn[n-]1 ZINC001591517975 1173662828 /nfs/dbraw/zinc/66/28/28/1173662828.db2.gz KCEGYEGEESWDHI-UHFFFAOYSA-N -1 3 287.279 1.334 20 30 CDEDHM COc1cc(C(=O)OC(C)(C)C#N)ccc1-c1nn[n-]n1 ZINC001591517975 1173662833 /nfs/dbraw/zinc/66/28/33/1173662833.db2.gz KCEGYEGEESWDHI-UHFFFAOYSA-N -1 3 287.279 1.334 20 30 CDEDHM Cc1c(C(=O)O[C@@H](C#N)C2CC2)cccc1-c1nnn[n-]1 ZINC001591813907 1173710259 /nfs/dbraw/zinc/71/02/59/1173710259.db2.gz XBKJQILRPKUYHB-LBPRGKRZSA-N -1 3 283.291 1.634 20 30 CDEDHM Cc1c(C(=O)O[C@@H](C#N)C2CC2)cccc1-c1nn[n-]n1 ZINC001591813907 1173710266 /nfs/dbraw/zinc/71/02/66/1173710266.db2.gz XBKJQILRPKUYHB-LBPRGKRZSA-N -1 3 283.291 1.634 20 30 CDEDHM Cc1cc(N2CCC[C@@H](CC#N)C2)ncc1-c1nnn[n-]1 ZINC001592002966 1173769686 /nfs/dbraw/zinc/76/96/86/1173769686.db2.gz APSBYCQVTRMAPF-NSHDSACASA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1cc(N2CCC[C@@H](CC#N)C2)ncc1-c1nn[n-]n1 ZINC001592002966 1173769690 /nfs/dbraw/zinc/76/96/90/1173769690.db2.gz APSBYCQVTRMAPF-NSHDSACASA-N -1 3 283.339 1.700 20 30 CDEDHM Cc1ccc(CN[C@H](C)CC#N)cc1-c1nn[n-]n1 ZINC001592164725 1173819743 /nfs/dbraw/zinc/81/97/43/1173819743.db2.gz BRTOMJBRYFHPES-SNVBAGLBSA-N -1 3 256.313 1.567 20 30 CDEDHM Cc1ccnc(NCC#C[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC001592275323 1173843081 /nfs/dbraw/zinc/84/30/81/1173843081.db2.gz FFESCPWOIQJVNH-GFCCVEGCSA-N -1 3 298.350 1.555 20 30 CDEDHM Cc1ccnc(NCC#C[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC001592275323 1173843082 /nfs/dbraw/zinc/84/30/82/1173843082.db2.gz FFESCPWOIQJVNH-GFCCVEGCSA-N -1 3 298.350 1.555 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1[C@H](C)C(=O)C(C)(C)C ZINC001592341232 1173862642 /nfs/dbraw/zinc/86/26/42/1173862642.db2.gz SYELARXIHRYNSJ-SSDOTTSWSA-N -1 3 287.327 1.420 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1[C@H](C)C(=O)C(C)(C)C ZINC001592341232 1173862647 /nfs/dbraw/zinc/86/26/47/1173862647.db2.gz SYELARXIHRYNSJ-SSDOTTSWSA-N -1 3 287.327 1.420 20 30 CDEDHM Fc1cc(-c2nnn[n-]2)ccc1CON=C[C@@H]1CCCO1 ZINC001592636666 1173944069 /nfs/dbraw/zinc/94/40/69/1173944069.db2.gz PLSSWZBLRQJLDJ-NSHDSACASA-N -1 3 291.286 1.687 20 30 CDEDHM Fc1cc(-c2nn[n-]n2)ccc1CON=C[C@@H]1CCCO1 ZINC001592636666 1173944074 /nfs/dbraw/zinc/94/40/74/1173944074.db2.gz PLSSWZBLRQJLDJ-NSHDSACASA-N -1 3 291.286 1.687 20 30 CDEDHM c1cc(N=NC2CCCC23CC3)ncc1-c1nnn[n-]1 ZINC001593560875 1174135744 /nfs/dbraw/zinc/13/57/44/1174135744.db2.gz LGUBTGMRFKBOPH-UHFFFAOYSA-N -1 3 269.312 1.994 20 30 CDEDHM c1cc(N=NC2CCCC23CC3)ncc1-c1nn[n-]n1 ZINC001593560875 1174135747 /nfs/dbraw/zinc/13/57/47/1174135747.db2.gz LGUBTGMRFKBOPH-UHFFFAOYSA-N -1 3 269.312 1.994 20 30 CDEDHM N#CC(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccncn1 ZINC001601047356 1174713978 /nfs/dbraw/zinc/71/39/78/1174713978.db2.gz NOGUKRBDXWKRJV-JTQLQIEISA-N -1 3 285.234 1.804 20 30 CDEDHM C#C[C@H](C)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602690519 1175353578 /nfs/dbraw/zinc/35/35/78/1175353578.db2.gz WIWDYGDHYYXVGO-QWRGUYRKSA-N -1 3 299.334 1.114 20 30 CDEDHM C#C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602690912 1175357298 /nfs/dbraw/zinc/35/72/98/1175357298.db2.gz MBJSULXJMBFRFJ-LLVKDONJSA-N -1 3 297.322 1.281 20 30 CDEDHM C#C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602690912 1175357303 /nfs/dbraw/zinc/35/73/03/1175357303.db2.gz MBJSULXJMBFRFJ-LLVKDONJSA-N -1 3 297.322 1.281 20 30 CDEDHM C=C(C)C[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001602752656 1175387840 /nfs/dbraw/zinc/38/78/40/1175387840.db2.gz GKGJMBKXIDDALU-SECBINFHSA-N -1 3 277.303 1.745 20 30 CDEDHM C=C(C)C[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602752656 1175387846 /nfs/dbraw/zinc/38/78/46/1175387846.db2.gz GKGJMBKXIDDALU-SECBINFHSA-N -1 3 277.303 1.745 20 30 CDEDHM C=CCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602841096 1175426622 /nfs/dbraw/zinc/42/66/22/1175426622.db2.gz MVHNSODSKKOJFX-CYBMUJFWSA-N -1 3 297.318 1.668 20 30 CDEDHM C=CCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602841096 1175426624 /nfs/dbraw/zinc/42/66/24/1175426624.db2.gz MVHNSODSKKOJFX-CYBMUJFWSA-N -1 3 297.318 1.668 20 30 CDEDHM C=CCCn1cc(CNc2ccc(-c3nnn[n-]3)cn2)nn1 ZINC001602847524 1175431966 /nfs/dbraw/zinc/43/19/66/1175431966.db2.gz UBBNCLRUHALIQF-UHFFFAOYSA-N -1 3 297.326 1.041 20 30 CDEDHM C=CCCn1cc(CNc2ccc(-c3nn[n-]n3)cn2)nn1 ZINC001602847524 1175431968 /nfs/dbraw/zinc/43/19/68/1175431968.db2.gz UBBNCLRUHALIQF-UHFFFAOYSA-N -1 3 297.326 1.041 20 30 CDEDHM C=CCOCCNc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001602870821 1175439827 /nfs/dbraw/zinc/43/98/27/1175439827.db2.gz OZABESQLNYRUAZ-UHFFFAOYSA-N -1 3 297.322 1.424 20 30 CDEDHM C=CCOCCNc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001602870821 1175439833 /nfs/dbraw/zinc/43/98/33/1175439833.db2.gz OZABESQLNYRUAZ-UHFFFAOYSA-N -1 3 297.322 1.424 20 30 CDEDHM CC#CCNC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 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270.340 1.973 20 30 CDEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000823861514 607889927 /nfs/dbraw/zinc/88/99/27/607889927.db2.gz LGKMZOJCBWHPFM-UHFFFAOYSA-N -1 3 286.339 1.369 20 30 CDEDHM C(=NO[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823867609 607889987 /nfs/dbraw/zinc/88/99/87/607889987.db2.gz DJCMWQZITHEJLU-LBPRGKRZSA-N -1 3 273.296 1.744 20 30 CDEDHM C(=NO[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823867609 607889988 /nfs/dbraw/zinc/88/99/88/607889988.db2.gz DJCMWQZITHEJLU-LBPRGKRZSA-N -1 3 273.296 1.744 20 30 CDEDHM N#Cc1ccc(NC(=O)Cn2ccc(-c3nnn[n-]3)c2)cc1 ZINC000826385701 607891310 /nfs/dbraw/zinc/89/13/10/607891310.db2.gz XGIVCJRPRJKYAH-UHFFFAOYSA-N -1 3 293.290 1.179 20 30 CDEDHM N#Cc1ccc(NC(=O)Cn2ccc(-c3nn[n-]n3)c2)cc1 ZINC000826385701 607891311 /nfs/dbraw/zinc/89/13/11/607891311.db2.gz XGIVCJRPRJKYAH-UHFFFAOYSA-N -1 3 293.290 1.179 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1Cn1ccc(C#N)c1 ZINC000826174204 608325580 /nfs/dbraw/zinc/32/55/80/608325580.db2.gz NDXFYCZFUVGWBQ-UHFFFAOYSA-N -1 3 280.291 1.597 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1Cn1ccc(C#N)c1 ZINC000826174204 608325581 /nfs/dbraw/zinc/32/55/81/608325581.db2.gz NDXFYCZFUVGWBQ-UHFFFAOYSA-N -1 3 280.291 1.597 20 30 CDEDHM CC(C)(C#N)CNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824059384 609408899 /nfs/dbraw/zinc/40/88/99/609408899.db2.gz RWDRVBNEKHQAJV-UHFFFAOYSA-N -1 3 299.338 1.216 20 30 CDEDHM CC(C)(C#N)CNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824059384 609408901 /nfs/dbraw/zinc/40/89/01/609408901.db2.gz RWDRVBNEKHQAJV-UHFFFAOYSA-N -1 3 299.338 1.216 20 30 CDEDHM CC#CCN1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])C[C@H]1C ZINC000947210340 613605932 /nfs/dbraw/zinc/60/59/32/613605932.db2.gz IBEWAZILVMJDKV-PWSUYJOCSA-N -1 3 290.367 1.030 20 30 CDEDHM C#CCCCS(=O)(=O)[N-]c1cc(CCCC)[nH]n1 ZINC000840948841 617719100 /nfs/dbraw/zinc/71/91/00/617719100.db2.gz LLZPGYFJGXKQNU-UHFFFAOYSA-N -1 3 269.370 1.907 20 30 CDEDHM N#Cc1ccc(OCCCOC(=O)c2cnn[n-]2)cc1 ZINC000805605762 618360710 /nfs/dbraw/zinc/36/07/10/618360710.db2.gz BFMGUUCJGQCIKW-UHFFFAOYSA-N -1 3 272.264 1.302 20 30 CDEDHM N#Cc1ccc(OCCCOC(=O)c2c[n-]nn2)cc1 ZINC000805605762 618360719 /nfs/dbraw/zinc/36/07/19/618360719.db2.gz BFMGUUCJGQCIKW-UHFFFAOYSA-N -1 3 272.264 1.302 20 30 CDEDHM Cc1nc(N(C)C[C@H](O)c2cccc(C#N)c2)cc(=O)[n-]1 ZINC000894380145 618836868 /nfs/dbraw/zinc/83/68/68/618836868.db2.gz DCSMPLNNFFXXFM-ZDUSSCGKSA-N -1 3 284.319 1.532 20 30 CDEDHM O=C1[C@@H](NCc2cnc(C3CCC3)s2)CCCN1[O-] ZINC000895160571 619378265 /nfs/dbraw/zinc/37/82/65/619378265.db2.gz AWHNRYXNVAGKTG-NSHDSACASA-N -1 3 281.381 1.880 20 30 CDEDHM Cn1nc(CN[C@@H]2CCCN([O-])C2=O)c2ccccc21 ZINC000895166079 619395697 /nfs/dbraw/zinc/39/56/97/619395697.db2.gz OXXUKVQUGMEGPR-LLVKDONJSA-N -1 3 274.324 1.043 20 30 CDEDHM C=C1CC(C)(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC000898226097 621415039 /nfs/dbraw/zinc/41/50/39/621415039.db2.gz JAQHGUKXEKBBMG-JTQLQIEISA-N -1 3 261.325 1.788 20 30 CDEDHM CCCCN([O-])C(=O)CNC(=O)C1CCCCC1 ZINC000904207946 626212833 /nfs/dbraw/zinc/21/28/33/626212833.db2.gz JHPQZCIIYRPYRZ-UHFFFAOYSA-N -1 3 256.346 1.701 20 30 CDEDHM CCCCN([O-])C(=O)CNC(=O)c1cccc(OC)c1 ZINC000904208204 626212983 /nfs/dbraw/zinc/21/29/83/626212983.db2.gz QBZTWPBTWFSGHR-UHFFFAOYSA-N -1 3 280.324 1.443 20 30 CDEDHM CCCCN([O-])C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000904210359 626214334 /nfs/dbraw/zinc/21/43/34/626214334.db2.gz MNDOZOAFZRCGKH-UHFFFAOYSA-N -1 3 275.326 1.456 20 30 CDEDHM NC(=O)C1(C(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC000904188638 626214810 /nfs/dbraw/zinc/21/48/10/626214810.db2.gz IACXNNYSXFKAAB-UHFFFAOYSA-N -1 3 268.700 1.323 20 30 CDEDHM CCCCN([O-])C(=O)COc1c(C)nn(C)c1C ZINC000904211906 626225949 /nfs/dbraw/zinc/22/59/49/626225949.db2.gz GJMPCXUBYJTUFA-UHFFFAOYSA-N -1 3 255.318 1.434 20 30 CDEDHM CCCCN([O-])C(=O)[C@]1(C)Oc2ccccc2NC1=O ZINC000904215616 626221580 /nfs/dbraw/zinc/22/15/80/626221580.db2.gz GTMMQZJTPNAUJB-CQSZACIVSA-N -1 3 278.308 1.794 20 30 CDEDHM CCCCN([O-])C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000904215957 626221940 /nfs/dbraw/zinc/22/19/40/626221940.db2.gz RTKRFESDQFOATE-GFCCVEGCSA-N -1 3 262.309 1.879 20 30 CDEDHM C#CCN(C)CCCNC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000911405004 629270976 /nfs/dbraw/zinc/27/09/76/629270976.db2.gz NLGWLLFIANJYAG-AATRIKPKSA-N -1 3 290.319 1.062 20 30 CDEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C)c1 ZINC000916930042 632108125 /nfs/dbraw/zinc/10/81/25/632108125.db2.gz RZGSACXBKXFEBB-LLVKDONJSA-N -1 3 298.302 1.390 20 30 CDEDHM C=CCn1c(=O)[n-]nc1SC/C(C)=C/C(=O)OC ZINC000917216936 632175725 /nfs/dbraw/zinc/17/57/25/632175725.db2.gz DIWUNOXJDYJOOX-SOFGYWHQSA-N -1 3 269.326 1.381 20 30 CDEDHM O=C1CN(N=Cc2cnc(-c3ccccc3)nc2)C(=O)[N-]1 ZINC000917541278 632235957 /nfs/dbraw/zinc/23/59/57/632235957.db2.gz BTZKRCWNQVSGGF-UHFFFAOYSA-N -1 3 281.275 1.029 20 30 CDEDHM C=CCN1CCC(NC(=O)NC2CC(CC(=O)[O-])C2)CC1 ZINC001602897593 1175446216 /nfs/dbraw/zinc/44/62/16/1175446216.db2.gz BDHHDTKRMZCALA-UHFFFAOYSA-N -1 3 295.383 1.189 20 30 CDEDHM C=CCN1CCC(NC(=O)N2CCC[C@@H]2CC(=O)[O-])CC1 ZINC001602898442 1175446728 /nfs/dbraw/zinc/44/67/28/1175446728.db2.gz TVKYZAHVMLXADO-CYBMUJFWSA-N -1 3 295.383 1.286 20 30 CDEDHM O=C(C=Cc1csnn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000095158950 1159344849 /nfs/dbraw/zinc/34/48/49/1159344849.db2.gz ONRLDOSMWALPJT-WAYWQWQTSA-N -1 3 284.304 1.614 20 30 CDEDHM O=C(C=Cc1csnn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000095158950 1159344855 /nfs/dbraw/zinc/34/48/55/1159344855.db2.gz ONRLDOSMWALPJT-WAYWQWQTSA-N -1 3 284.304 1.614 20 30 CDEDHM CC[C@@H](C/N=C1/[N-]S(=O)(=O)c2ccccc21)OC ZINC000386516832 1161072833 /nfs/dbraw/zinc/07/28/33/1161072833.db2.gz MZHLHWBTLANQFT-VIFPVBQESA-N -1 3 268.338 1.150 20 30 CDEDHM Cc1cc(C=CC(=O)c2ccnn2C)ccc1-c1nnn[n-]1 ZINC001605652604 1163635178 /nfs/dbraw/zinc/63/51/78/1163635178.db2.gz NWECDLCDCABVJG-XQRVVYSFSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1cc(C=CC(=O)c2ccnn2C)ccc1-c1nn[n-]n1 ZINC001605652604 1163635182 /nfs/dbraw/zinc/63/51/82/1163635182.db2.gz NWECDLCDCABVJG-XQRVVYSFSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)C#N ZINC001605675820 1163640950 /nfs/dbraw/zinc/64/09/50/1163640950.db2.gz STNTZUILGSNOIK-ZETCQYMHSA-N -1 3 274.259 1.412 20 30 CDEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)C#N ZINC001605675820 1163640954 /nfs/dbraw/zinc/64/09/54/1163640954.db2.gz STNTZUILGSNOIK-ZETCQYMHSA-N -1 3 274.259 1.412 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C#N)C(C)(C)C ZINC001605790950 1163672561 /nfs/dbraw/zinc/67/25/61/1163672561.db2.gz MRIWGYOFYOKRSK-LBPRGKRZSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C#N)C(C)(C)C ZINC001605790950 1163672568 /nfs/dbraw/zinc/67/25/68/1163672568.db2.gz MRIWGYOFYOKRSK-LBPRGKRZSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1ccc(C[S@](=O)CCCC#N)cc1-c1nnn[n-]1 ZINC001605859567 1163692160 /nfs/dbraw/zinc/69/21/60/1163692160.db2.gz VTQWEWSSFDRAOV-HXUWFJFHSA-N -1 3 289.364 1.728 20 30 CDEDHM Cc1ccc(C[S@](=O)CCCC#N)cc1-c1nn[n-]n1 ZINC001605859567 1163692164 /nfs/dbraw/zinc/69/21/64/1163692164.db2.gz VTQWEWSSFDRAOV-HXUWFJFHSA-N -1 3 289.364 1.728 20 30 CDEDHM Cn1ncnc1Sc1c(C#N)cccc1-c1nnn[n-]1 ZINC001606284218 1163835564 /nfs/dbraw/zinc/83/55/64/1163835564.db2.gz BNIBWEWPQJNMCA-UHFFFAOYSA-N -1 3 284.308 1.018 20 30 CDEDHM Cn1ncnc1Sc1c(C#N)cccc1-c1nn[n-]n1 ZINC001606284218 1163835569 /nfs/dbraw/zinc/83/55/69/1163835569.db2.gz BNIBWEWPQJNMCA-UHFFFAOYSA-N -1 3 284.308 1.018 20 30 CDEDHM N#CCc1cccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001606351833 1163877218 /nfs/dbraw/zinc/87/72/18/1163877218.db2.gz UTJZZWFMCZDQAU-UHFFFAOYSA-N -1 3 293.290 1.513 20 30 CDEDHM N#CCc1cccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001606351833 1163877222 /nfs/dbraw/zinc/87/72/22/1163877222.db2.gz UTJZZWFMCZDQAU-UHFFFAOYSA-N -1 3 293.290 1.513 20 30 CDEDHM N#Cc1ccc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)[nH]1 ZINC001606367903 1163877813 /nfs/dbraw/zinc/87/78/13/1163877813.db2.gz SDCISPQDVFIMAR-UHFFFAOYSA-N -1 3 297.253 1.458 20 30 CDEDHM N#Cc1ccc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)[nH]1 ZINC001606367903 1163877817 /nfs/dbraw/zinc/87/78/17/1163877817.db2.gz SDCISPQDVFIMAR-UHFFFAOYSA-N -1 3 297.253 1.458 20 30 CDEDHM N#Cc1cc(Cl)ccc1Cn1cc(-c2nnn[n-]2)cn1 ZINC001606361683 1163879331 /nfs/dbraw/zinc/87/93/31/1163879331.db2.gz LPAYROKFZAKTPD-UHFFFAOYSA-N -1 3 285.698 1.637 20 30 CDEDHM N#Cc1cc(Cl)ccc1Cn1cc(-c2nn[n-]n2)cn1 ZINC001606361683 1163879333 /nfs/dbraw/zinc/87/93/33/1163879333.db2.gz LPAYROKFZAKTPD-UHFFFAOYSA-N -1 3 285.698 1.637 20 30 CDEDHM COc1cc(Oc2ncccc2C#N)ccc1-c1nnn[n-]1 ZINC001609348462 1164908732 /nfs/dbraw/zinc/90/87/32/1164908732.db2.gz VISDGRCTROXQHL-UHFFFAOYSA-N -1 3 294.274 1.934 20 30 CDEDHM COc1cc(Oc2ncccc2C#N)ccc1-c1nn[n-]n1 ZINC001609348462 1164908738 /nfs/dbraw/zinc/90/87/38/1164908738.db2.gz VISDGRCTROXQHL-UHFFFAOYSA-N -1 3 294.274 1.934 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1CN(C)C[C@H](C)C#N ZINC001609388256 1164923965 /nfs/dbraw/zinc/92/39/65/1164923965.db2.gz TZJPDVNUNKHVHS-SNVBAGLBSA-N -1 3 270.340 1.767 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1CN(C)C[C@H](C)C#N ZINC001609388256 1164923972 /nfs/dbraw/zinc/92/39/72/1164923972.db2.gz TZJPDVNUNKHVHS-SNVBAGLBSA-N -1 3 270.340 1.767 20 30 CDEDHM N#Cc1cccc(NC(=O)c2cscc2-c2nnn[n-]2)n1 ZINC001581875942 1172627178 /nfs/dbraw/zinc/62/71/78/1172627178.db2.gz YDYRDJYTVKKLKW-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM N#Cc1cccc(NC(=O)c2cscc2-c2nn[n-]n2)n1 ZINC001581875942 1172627185 /nfs/dbraw/zinc/62/71/85/1172627185.db2.gz YDYRDJYTVKKLKW-UHFFFAOYSA-N -1 3 297.303 1.447 20 30 CDEDHM C#CCC(C)(C)C(=O)OCc1cncc(-c2nnn[n-]2)c1 ZINC001588330966 1173033444 /nfs/dbraw/zinc/03/34/44/1173033444.db2.gz HWGCYYXJYUXPKY-UHFFFAOYSA-N -1 3 285.307 1.354 20 30 CDEDHM C#CC[C@@H](CCOC)Nc1ncccc1-c1nnn[n-]1 ZINC001588330908 1173034480 /nfs/dbraw/zinc/03/44/80/1173034480.db2.gz HHPOEOXZBLUMEL-JTQLQIEISA-N -1 3 272.312 1.102 20 30 CDEDHM C#CC[C@@H](CCOC)Nc1ncccc1-c1nn[n-]n1 ZINC001588330908 1173034489 /nfs/dbraw/zinc/03/44/89/1173034489.db2.gz HHPOEOXZBLUMEL-JTQLQIEISA-N -1 3 272.312 1.102 20 30 CDEDHM C#CCC[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001588337397 1173038845 /nfs/dbraw/zinc/03/88/45/1173038845.db2.gz OQDDIUGMVKIZKI-QMMMGPOBSA-N -1 3 273.296 1.462 20 30 CDEDHM C#CCC[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001588337397 1173038853 /nfs/dbraw/zinc/03/88/53/1173038853.db2.gz OQDDIUGMVKIZKI-QMMMGPOBSA-N -1 3 273.296 1.462 20 30 CDEDHM c1cnc(N=NCc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001588384535 1173057072 /nfs/dbraw/zinc/05/70/72/1173057072.db2.gz UNFQTAWBTANCIL-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM c1cnc(N=NCc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001588384535 1173057078 /nfs/dbraw/zinc/05/70/78/1173057078.db2.gz UNFQTAWBTANCIL-UHFFFAOYSA-N -1 3 266.268 1.103 20 30 CDEDHM C=C[C@@H](COC)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001588525786 1173076091 /nfs/dbraw/zinc/07/60/91/1173076091.db2.gz KRKXCPPYEFAZPJ-UWVGGRQHSA-N -1 3 289.339 1.424 20 30 CDEDHM C[C@@H](C#N)N(CCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588934443 1173114374 /nfs/dbraw/zinc/11/43/74/1173114374.db2.gz MQAHVWNVFCYFSU-NSHDSACASA-N -1 3 282.351 1.786 20 30 CDEDHM C[C@@H](C#N)N(CCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588934443 1173114378 /nfs/dbraw/zinc/11/43/78/1173114378.db2.gz MQAHVWNVFCYFSU-NSHDSACASA-N -1 3 282.351 1.786 20 30 CDEDHM CC(C)(C#N)CCOC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001589033928 1173120321 /nfs/dbraw/zinc/12/03/21/1173120321.db2.gz MGNIXYMPJITKGC-UHFFFAOYSA-N -1 3 274.284 1.291 20 30 CDEDHM CC(C)(C#N)C(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001589034333 1173120662 /nfs/dbraw/zinc/12/06/62/1173120662.db2.gz XDRDETQQPRVNCC-UHFFFAOYSA-N -1 3 296.334 1.696 20 30 CDEDHM CC(C)(C#N)C(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001589034333 1173120663 /nfs/dbraw/zinc/12/06/63/1173120663.db2.gz XDRDETQQPRVNCC-UHFFFAOYSA-N -1 3 296.334 1.696 20 30 CDEDHM C[C@@H](CC#N)C(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001589786608 1173178217 /nfs/dbraw/zinc/17/82/17/1173178217.db2.gz JJKKAGGAJAYDGS-VIFPVBQESA-N -1 3 282.307 1.306 20 30 CDEDHM C[C@@H](CC#N)C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001589786608 1173178218 /nfs/dbraw/zinc/17/82/18/1173178218.db2.gz JJKKAGGAJAYDGS-VIFPVBQESA-N -1 3 282.307 1.306 20 30 CDEDHM C[C@H](CC#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001589788249 1173180820 /nfs/dbraw/zinc/18/08/20/1173180820.db2.gz VVHARMUVVCSZJZ-SSDOTTSWSA-N -1 3 274.259 1.038 20 30 CDEDHM C[C@H](CC#N)NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001589788249 1173180823 /nfs/dbraw/zinc/18/08/23/1173180823.db2.gz VVHARMUVVCSZJZ-SSDOTTSWSA-N -1 3 274.259 1.038 20 30 CDEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC#N ZINC001589894835 1173198313 /nfs/dbraw/zinc/19/83/13/1173198313.db2.gz NEJCIGDOZCJBAM-SECBINFHSA-N -1 3 271.280 1.112 20 30 CDEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#N ZINC001589894835 1173198321 /nfs/dbraw/zinc/19/83/21/1173198321.db2.gz NEJCIGDOZCJBAM-SECBINFHSA-N -1 3 271.280 1.112 20 30 CDEDHM C[C@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)C1CC1 ZINC001589991029 1173225906 /nfs/dbraw/zinc/22/59/06/1173225906.db2.gz 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ZCTHNKFDRIBTBA-UHFFFAOYSA-N -1 3 261.178 1.634 20 30 CDEDHM C=C(Cl)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770110481 575422964 /nfs/dbraw/zinc/42/29/64/575422964.db2.gz KKSGKSCKUGDPDP-QMMMGPOBSA-N -1 3 283.777 1.246 20 30 CDEDHM C=C(C)CN1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735399125 575464117 /nfs/dbraw/zinc/46/41/17/575464117.db2.gz PLPHOWRAYSYZCH-UHFFFAOYSA-N -1 3 299.382 1.714 20 30 CDEDHM C=CCCCN(C)[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736102508 575563209 /nfs/dbraw/zinc/56/32/09/575563209.db2.gz LXQHPZQDAHWKEO-GFCCVEGCSA-N -1 3 282.384 1.596 20 30 CDEDHM C=C(Cl)C[N-]S(=O)(=O)c1cnc2onc(C)c2c1 ZINC000736342137 575629876 /nfs/dbraw/zinc/62/98/76/575629876.db2.gz MTACFGPUIOREQW-UHFFFAOYSA-N -1 3 287.728 1.562 20 30 CDEDHM CC(=N[N-]S(C)(=O)=O)c1c(Cl)nc2sccn21 ZINC000764697851 575934791 /nfs/dbraw/zinc/93/47/91/575934791.db2.gz CDTLKYZAVCTWHH-UHFFFAOYSA-N -1 3 292.773 1.322 20 30 CDEDHM C[C@H]1CCc2c(F)cccc2C1=N[N-]S(C)(=O)=O ZINC000764706855 575936708 /nfs/dbraw/zinc/93/67/08/575936708.db2.gz GDNFRYJLOCMMNU-QMMMGPOBSA-N -1 3 270.329 1.661 20 30 CDEDHM COc1cccc([O-])c1/C=N/CCc1ccn(C)n1 ZINC000761016683 576535101 /nfs/dbraw/zinc/53/51/01/576535101.db2.gz YFMWVLRLZDEJCS-XNTDXEJSSA-N -1 3 259.309 1.796 20 30 CDEDHM Cc1ncsc1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000743439126 576639905 /nfs/dbraw/zinc/63/99/05/576639905.db2.gz SAASSYIXOCEYFT-UHFFFAOYSA-N -1 3 259.298 1.564 20 30 CDEDHM COCC#CCO[N-]C(=O)CCCc1ccccc1 ZINC000764217972 576786165 /nfs/dbraw/zinc/78/61/65/576786165.db2.gz SNDKWVXZWAAYPC-UHFFFAOYSA-N -1 3 261.321 1.707 20 30 CDEDHM Cc1cc(NN=C2C(=O)[N-]c3c2cccc3F)ncn1 ZINC000753960714 576869789 /nfs/dbraw/zinc/86/97/89/576869789.db2.gz USXPDDYDBXNGRZ-UHFFFAOYSA-N -1 3 271.255 1.692 20 30 CDEDHM Cn1ncc2c1ncnc2N=NCc1cccc(F)c1[O-] ZINC000755644086 576953584 /nfs/dbraw/zinc/95/35/84/576953584.db2.gz GAXLLHKZWYZMFS-UHFFFAOYSA-N -1 3 286.270 1.654 20 30 CDEDHM C#CCNC(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751732717 577061775 /nfs/dbraw/zinc/06/17/75/577061775.db2.gz UNHZETURCVDXDW-UHFFFAOYSA-N -1 3 285.658 1.091 20 30 CDEDHM COC(=O)c1cc(COC(=O)c2ccc(C#N)[n-]2)oc1C ZINC000752478759 577108623 /nfs/dbraw/zinc/10/86/23/577108623.db2.gz KAQCNMBOZPKJPE-UHFFFAOYSA-N -1 3 288.259 1.931 20 30 CDEDHM C[C@H](CC#N)N(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000824385088 608679840 /nfs/dbraw/zinc/67/98/40/608679840.db2.gz LLDRQUUXEQROIL-MRVPVSSYSA-N -1 3 262.342 1.662 20 30 CDEDHM C[C@@H](C#N)CNN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000819857221 607325277 /nfs/dbraw/zinc/32/52/77/607325277.db2.gz PHALEJQXVDSCHZ-VIFPVBQESA-N -1 3 294.322 1.431 20 30 CDEDHM C[C@@H](C#N)CNN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000819857221 607325278 /nfs/dbraw/zinc/32/52/78/607325278.db2.gz PHALEJQXVDSCHZ-VIFPVBQESA-N -1 3 294.322 1.431 20 30 CDEDHM CCCNN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000821117816 599337118 /nfs/dbraw/zinc/33/71/18/599337118.db2.gz AOLBNQWTZMKAFO-UHFFFAOYSA-N -1 3 270.340 1.907 20 30 CDEDHM CCCNN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000821117816 599337120 /nfs/dbraw/zinc/33/71/20/599337120.db2.gz AOLBNQWTZMKAFO-UHFFFAOYSA-N -1 3 270.340 1.907 20 30 CDEDHM C#CCCCNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819693175 599467938 /nfs/dbraw/zinc/46/79/38/599467938.db2.gz OIRJXXVENDMCRU-UHFFFAOYSA-N -1 3 298.350 1.422 20 30 CDEDHM C#CCCCNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819693175 599467940 /nfs/dbraw/zinc/46/79/40/599467940.db2.gz OIRJXXVENDMCRU-UHFFFAOYSA-N -1 3 298.350 1.422 20 30 CDEDHM N#Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826387289 607896776 /nfs/dbraw/zinc/89/67/76/607896776.db2.gz NWXFNENJQAKRRO-UHFFFAOYSA-N -1 3 277.291 1.745 20 30 CDEDHM N#Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826387289 607896777 /nfs/dbraw/zinc/89/67/77/607896777.db2.gz NWXFNENJQAKRRO-UHFFFAOYSA-N -1 3 277.291 1.745 20 30 CDEDHM C[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@@H]1C(=O)[O-] ZINC000111255116 601539015 /nfs/dbraw/zinc/53/90/15/601539015.db2.gz GXABSWZSZULXMK-RISCZKNCSA-N -1 3 283.331 1.963 20 30 CDEDHM CCN(CC#N)Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000825395602 607524366 /nfs/dbraw/zinc/52/43/66/607524366.db2.gz SHSOOUAFUCEGEK-UHFFFAOYSA-N -1 3 272.312 1.221 20 30 CDEDHM CCN(CC#N)Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000825395602 607524367 /nfs/dbraw/zinc/52/43/67/607524367.db2.gz SHSOOUAFUCEGEK-UHFFFAOYSA-N -1 3 272.312 1.221 20 30 CDEDHM C#CCCOC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602712737 1175370859 /nfs/dbraw/zinc/37/08/59/1175370859.db2.gz RLTKNMXBLSJRKL-JTQLQIEISA-N -1 3 285.307 1.677 20 30 CDEDHM C#CCCOC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602712737 1175370864 /nfs/dbraw/zinc/37/08/64/1175370864.db2.gz RLTKNMXBLSJRKL-JTQLQIEISA-N -1 3 285.307 1.677 20 30 CDEDHM C=CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CC1 ZINC000823903522 608249979 /nfs/dbraw/zinc/24/99/79/608249979.db2.gz CHLZIDOHAGYDNY-UHFFFAOYSA-N -1 3 275.337 1.719 20 30 CDEDHM C=CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)C1CC1 ZINC000823903522 608249981 /nfs/dbraw/zinc/24/99/81/608249981.db2.gz CHLZIDOHAGYDNY-UHFFFAOYSA-N -1 3 275.337 1.719 20 30 CDEDHM C=CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823904160 608250603 /nfs/dbraw/zinc/25/06/03/608250603.db2.gz WBEIKOLCPOLCGS-UHFFFAOYSA-N -1 3 269.308 1.657 20 30 CDEDHM C=CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823904160 608250604 /nfs/dbraw/zinc/25/06/04/608250604.db2.gz WBEIKOLCPOLCGS-UHFFFAOYSA-N -1 3 269.308 1.657 20 30 CDEDHM C[C@H](CC#N)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC000820219433 606059631 /nfs/dbraw/zinc/05/96/31/606059631.db2.gz GNCHMMYQJUMUTL-MRVPVSSYSA-N -1 3 260.276 1.744 20 30 CDEDHM C[C@H](CC#N)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC000820219433 606059638 /nfs/dbraw/zinc/05/96/38/606059638.db2.gz GNCHMMYQJUMUTL-MRVPVSSYSA-N -1 3 260.276 1.744 20 30 CDEDHM N#C[C@@H]1CCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC000822806741 606242308 /nfs/dbraw/zinc/24/23/08/606242308.db2.gz SKTJUYNAFJKZPZ-WCBMZHEXSA-N -1 3 255.285 1.366 20 30 CDEDHM N#C[C@@H]1CCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC000822806741 606242309 /nfs/dbraw/zinc/24/23/09/606242309.db2.gz SKTJUYNAFJKZPZ-WCBMZHEXSA-N -1 3 255.285 1.366 20 30 CDEDHM C=CC(C)(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001602786613 1175401184 /nfs/dbraw/zinc/40/11/84/1175401184.db2.gz ALVVYPOPCIURLR-UHFFFAOYSA-N -1 3 274.328 1.527 20 30 CDEDHM C=CC(C)(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001602786613 1175401188 /nfs/dbraw/zinc/40/11/88/1175401188.db2.gz ALVVYPOPCIURLR-UHFFFAOYSA-N -1 3 274.328 1.527 20 30 CDEDHM C=C(C)CN(CC)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819723041 606499822 /nfs/dbraw/zinc/49/98/22/606499822.db2.gz VNQQXFKMRFQPOJ-UHFFFAOYSA-N -1 3 285.351 1.834 20 30 CDEDHM C=C(C)CN(CC)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819723041 606499825 /nfs/dbraw/zinc/49/98/25/606499825.db2.gz VNQQXFKMRFQPOJ-UHFFFAOYSA-N -1 3 285.351 1.834 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821170479 606539699 /nfs/dbraw/zinc/53/96/99/606539699.db2.gz QYSHZLXNTODLOH-QMMMGPOBSA-N -1 3 290.352 1.550 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821170479 606539700 /nfs/dbraw/zinc/53/97/00/606539700.db2.gz QYSHZLXNTODLOH-QMMMGPOBSA-N -1 3 290.352 1.550 20 30 CDEDHM C=CCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819751584 606661074 /nfs/dbraw/zinc/66/10/74/606661074.db2.gz XGCIYQCMKPAKTN-UHFFFAOYSA-N -1 3 265.223 1.061 20 30 CDEDHM C=CCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819751584 606661075 /nfs/dbraw/zinc/66/10/75/606661075.db2.gz XGCIYQCMKPAKTN-UHFFFAOYSA-N -1 3 265.223 1.061 20 30 CDEDHM C=C[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000819730417 606813794 /nfs/dbraw/zinc/81/37/94/606813794.db2.gz ZDKBCOJEIAXVLB-VHSXEESVSA-N -1 3 287.323 1.325 20 30 CDEDHM C=C[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000819730417 606813795 /nfs/dbraw/zinc/81/37/95/606813795.db2.gz ZDKBCOJEIAXVLB-VHSXEESVSA-N -1 3 287.323 1.325 20 30 CDEDHM C=C[C@H](C(=O)[O-])N1CCC(CO)(C(F)(F)F)CC1 ZINC001602805305 1175407673 /nfs/dbraw/zinc/40/76/73/1175407673.db2.gz YPEWIWFLMYCUSG-MRVPVSSYSA-N -1 3 267.247 1.262 20 30 CDEDHM N#Cc1ccn(Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826387718 607892499 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ZINC000824925672 609462699 /nfs/dbraw/zinc/46/26/99/609462699.db2.gz FYXVDLXYLKMVQQ-YMTOWFKASA-N -1 3 299.338 1.397 20 30 CDEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC000824925672 609462700 /nfs/dbraw/zinc/46/27/00/609462700.db2.gz FYXVDLXYLKMVQQ-YMTOWFKASA-N -1 3 299.338 1.397 20 30 CDEDHM O=c1[nH]c2ccccc2cc1C=N[N-]c1nc[nH]n1 ZINC000807995793 617384917 /nfs/dbraw/zinc/38/49/17/617384917.db2.gz CMJANFDJHVDTOO-UHFFFAOYSA-N -1 3 254.253 1.505 20 30 CDEDHM C=CCN1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000969545636 613673838 /nfs/dbraw/zinc/67/38/38/613673838.db2.gz DTHZTEJOASNFOS-JTQLQIEISA-N -1 3 261.325 1.023 20 30 CDEDHM N#CCN(Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000826382063 618591111 /nfs/dbraw/zinc/59/11/11/618591111.db2.gz MVLMPIIPDAUDLX-UHFFFAOYSA-N -1 3 260.326 1.416 20 30 CDEDHM N#CCCCNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826381779 618592684 /nfs/dbraw/zinc/59/26/84/618592684.db2.gz YWJMXXZHUUSHLU-UHFFFAOYSA-N -1 3 284.323 1.219 20 30 CDEDHM N#CCCCNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826381779 618592691 /nfs/dbraw/zinc/59/26/91/618592691.db2.gz YWJMXXZHUUSHLU-UHFFFAOYSA-N -1 3 284.323 1.219 20 30 CDEDHM O=C1[C@@H](NCc2cc3cnccc3o2)CCCN1[O-] ZINC000895156925 619371839 /nfs/dbraw/zinc/37/18/39/619371839.db2.gz IVUFMYIYUSCGCY-NSHDSACASA-N -1 3 261.281 1.298 20 30 CDEDHM Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1CCCN([O-])C1=O ZINC000895162661 619382922 /nfs/dbraw/zinc/38/29/22/619382922.db2.gz MZTPPHCRIUNJJO-CYBMUJFWSA-N -1 3 294.399 1.725 20 30 CDEDHM O=C1[C@@H](NCC2=Cc3ccccc3OC2)CCCN1[O-] ZINC000895164205 619389488 /nfs/dbraw/zinc/38/94/88/619389488.db2.gz FELIXYOORKXAAZ-ZDUSSCGKSA-N -1 3 274.320 1.432 20 30 CDEDHM C#CCSCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000895614455 619758250 /nfs/dbraw/zinc/75/82/50/619758250.db2.gz OGLWCIFLNGAZBT-UHFFFAOYSA-N -1 3 264.232 1.128 20 30 CDEDHM C#CCSCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000895614455 619758255 /nfs/dbraw/zinc/75/82/55/619758255.db2.gz OGLWCIFLNGAZBT-UHFFFAOYSA-N -1 3 264.232 1.128 20 30 CDEDHM C=C1CC(C)(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC000898226098 621414174 /nfs/dbraw/zinc/41/41/74/621414174.db2.gz JAQHGUKXEKBBMG-SNVBAGLBSA-N -1 3 261.325 1.788 20 30 CDEDHM C=CCCn1cc(CN[C@](C)(CC(=O)[O-])C(C)C)nn1 ZINC000901815828 624451174 /nfs/dbraw/zinc/45/11/74/624451174.db2.gz MAFFBTVBYXQXAI-CQSZACIVSA-N -1 3 280.372 1.833 20 30 CDEDHM CCCCN([O-])C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000904208165 626212740 /nfs/dbraw/zinc/21/27/40/626212740.db2.gz ONPXDJBKYSGUSM-UHFFFAOYSA-N -1 3 297.380 1.830 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000904214901 626227330 /nfs/dbraw/zinc/22/73/30/626227330.db2.gz RCAYHXJSEYFYMC-IJLUTSLNSA-N -1 3 268.357 1.699 20 30 CDEDHM CCCCN([O-])C(=O)c1cccc(-n2cncn2)n1 ZINC000904214898 626227376 /nfs/dbraw/zinc/22/73/76/626227376.db2.gz RBNWTKFYALAYTQ-UHFFFAOYSA-N -1 3 261.285 1.294 20 30 CDEDHM COC(=O)c1nsnc1[N-]c1ccccc1C#N ZINC001210737848 1158630377 /nfs/dbraw/zinc/63/03/77/1158630377.db2.gz UAUHNKMEYRGWMK-UHFFFAOYSA-N -1 3 260.278 1.940 20 30 CDEDHM C=CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001602863765 1175438183 /nfs/dbraw/zinc/43/81/83/1175438183.db2.gz OWBFKNBDVZPGGS-UHFFFAOYSA-N -1 3 274.284 1.183 20 30 CDEDHM C=CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001602863765 1175438186 /nfs/dbraw/zinc/43/81/86/1175438186.db2.gz OWBFKNBDVZPGGS-UHFFFAOYSA-N -1 3 274.284 1.183 20 30 CDEDHM N#CCN[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001086645097 1162708245 /nfs/dbraw/zinc/70/82/45/1162708245.db2.gz DEESPPZUDBODAI-NWDGAFQWSA-N -1 3 273.336 1.404 20 30 CDEDHM CO[C@H]1CCC[C@@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001605029940 1163425343 /nfs/dbraw/zinc/42/53/43/1163425343.db2.gz HKRBUAIDHIDQFT-YPMHNXCESA-N -1 3 298.350 1.965 20 30 CDEDHM CO[C@H]1CCC[C@@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001605029940 1163425346 /nfs/dbraw/zinc/42/53/46/1163425346.db2.gz HKRBUAIDHIDQFT-YPMHNXCESA-N -1 3 298.350 1.965 20 30 CDEDHM COc1cc(OCC2(CC#N)CC2)ccc1-c1nnn[n-]1 ZINC001605239277 1163499246 /nfs/dbraw/zinc/49/92/46/1163499246.db2.gz QOJUASMTPMMATE-UHFFFAOYSA-N -1 3 285.307 1.948 20 30 CDEDHM COc1cc(OCC2(CC#N)CC2)ccc1-c1nn[n-]n1 ZINC001605239277 1163499249 /nfs/dbraw/zinc/49/92/49/1163499249.db2.gz QOJUASMTPMMATE-UHFFFAOYSA-N -1 3 285.307 1.948 20 30 CDEDHM Cn1ccnc1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001606257320 1163829162 /nfs/dbraw/zinc/82/91/62/1163829162.db2.gz GCIXHYCFSFDMOP-UHFFFAOYSA-N -1 3 294.322 1.126 20 30 CDEDHM N#CCCCOC(=O)c1cscc1-c1nnn[n-]1 ZINC001606348311 1163874386 /nfs/dbraw/zinc/87/43/86/1163874386.db2.gz QSRURVILARZJDK-UHFFFAOYSA-N -1 3 263.282 1.389 20 30 CDEDHM N#CCCCOC(=O)c1cscc1-c1nn[n-]n1 ZINC001606348311 1163874392 /nfs/dbraw/zinc/87/43/92/1163874392.db2.gz QSRURVILARZJDK-UHFFFAOYSA-N -1 3 263.282 1.389 20 30 CDEDHM N#Cc1ncn(C[C@@H]2CC3CCC2CC3)c1-c1nnn[n-]1 ZINC001606398738 1163889409 /nfs/dbraw/zinc/88/94/09/1163889409.db2.gz TXOWDTFMTRHJHX-ILDUYXDCSA-N -1 3 283.339 1.761 20 30 CDEDHM C#C[C@H](C)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609018806 1164725924 /nfs/dbraw/zinc/72/59/24/1164725924.db2.gz GQYUJQUNFBBYQK-ZETCQYMHSA-N -1 3 275.699 1.272 20 30 CDEDHM C#C[C@H](C)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609018806 1164725930 /nfs/dbraw/zinc/72/59/30/1164725930.db2.gz GQYUJQUNFBBYQK-ZETCQYMHSA-N -1 3 275.699 1.272 20 30 CDEDHM C=CCN(CC1CCCCC1)[C@H](C)C(=O)NCC(=O)[O-] ZINC001609356810 1164910747 /nfs/dbraw/zinc/91/07/47/1164910747.db2.gz KTYUUKHFUKHUMI-GFCCVEGCSA-N -1 3 282.384 1.644 20 30 CDEDHM Cc1oc(C#N)cc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001648223909 1169108551 /nfs/dbraw/zinc/10/85/51/1169108551.db2.gz KWKIEJMVNADFGJ-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1oc(C#N)cc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001648223909 1169108555 /nfs/dbraw/zinc/10/85/55/1169108555.db2.gz KWKIEJMVNADFGJ-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Nc1ccc2sc(C(=O)N[C@@H]3CCN([O-])C3=O)cc2c1 ZINC001580452769 1172439388 /nfs/dbraw/zinc/43/93/88/1172439388.db2.gz BZCZZOPIFABBFZ-SECBINFHSA-N -1 3 291.332 1.203 20 30 CDEDHM C=CCN(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588626686 1172874731 /nfs/dbraw/zinc/87/47/31/1172874731.db2.gz PQOXCNKKGBFOIW-UHFFFAOYSA-N -1 3 284.245 1.903 20 30 CDEDHM C=CCN(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588626686 1172874737 /nfs/dbraw/zinc/87/47/37/1172874737.db2.gz PQOXCNKKGBFOIW-UHFFFAOYSA-N -1 3 284.245 1.903 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588325905 1173023520 /nfs/dbraw/zinc/02/35/20/1173023520.db2.gz ZDTQGUBWTNLFIH-SECBINFHSA-N -1 3 270.296 1.352 20 30 CDEDHM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC001588329422 1173031316 /nfs/dbraw/zinc/03/13/16/1173031316.db2.gz GDMQNICHQUSTLX-LBPRGKRZSA-N -1 3 299.334 1.263 20 30 CDEDHM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC001588329422 1173031322 /nfs/dbraw/zinc/03/13/22/1173031322.db2.gz GDMQNICHQUSTLX-LBPRGKRZSA-N -1 3 299.334 1.263 20 30 CDEDHM C#C[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588331398 1173032655 /nfs/dbraw/zinc/03/26/55/1173032655.db2.gz AKFIYQRJYNRCJB-NSHDSACASA-N -1 3 298.306 1.767 20 30 CDEDHM C#C[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588331398 1173032663 /nfs/dbraw/zinc/03/26/63/1173032663.db2.gz AKFIYQRJYNRCJB-NSHDSACASA-N -1 3 298.306 1.767 20 30 CDEDHM C#CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001588331951 1173032703 /nfs/dbraw/zinc/03/27/03/1173032703.db2.gz YQJNQDSACGXWNL-UHFFFAOYSA-N -1 3 299.294 1.020 20 30 CDEDHM C#CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001588331951 1173032710 /nfs/dbraw/zinc/03/27/10/1173032710.db2.gz YQJNQDSACGXWNL-UHFFFAOYSA-N -1 3 299.294 1.020 20 30 CDEDHM C#CCC1(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC001588335465 1173041630 /nfs/dbraw/zinc/04/16/30/1173041630.db2.gz NJDGVWYHOCFXID-UHFFFAOYSA-N -1 3 299.309 1.682 20 30 CDEDHM C#CCC1(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC001588335465 1173041642 /nfs/dbraw/zinc/04/16/42/1173041642.db2.gz NJDGVWYHOCFXID-UHFFFAOYSA-N -1 3 299.309 1.682 20 30 CDEDHM C#CCCCCC(=O)N(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588341182 1173042262 /nfs/dbraw/zinc/04/22/62/1173042262.db2.gz AQIXXQOLTSPDTE-UHFFFAOYSA-N -1 3 284.323 1.418 20 30 CDEDHM C#CCCCCC(=O)N(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001588341182 1173042269 /nfs/dbraw/zinc/04/22/69/1173042269.db2.gz AQIXXQOLTSPDTE-UHFFFAOYSA-N -1 3 284.323 1.418 20 30 CDEDHM C#CCCOC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588346947 1173048047 /nfs/dbraw/zinc/04/80/47/1173048047.db2.gz CPIPNLCMTRUINP-UHFFFAOYSA-N -1 3 289.270 1.255 20 30 CDEDHM C#CCCOC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001588346947 1173048053 /nfs/dbraw/zinc/04/80/53/1173048053.db2.gz CPIPNLCMTRUINP-UHFFFAOYSA-N -1 3 289.270 1.255 20 30 CDEDHM C(#C[C@H]1CCCCO1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588380174 1173054910 /nfs/dbraw/zinc/05/49/10/1173054910.db2.gz WCTLRXIXHXTFHZ-GFCCVEGCSA-N -1 3 284.323 1.246 20 30 CDEDHM C(#C[C@H]1CCCCO1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588380174 1173054915 /nfs/dbraw/zinc/05/49/15/1173054915.db2.gz WCTLRXIXHXTFHZ-GFCCVEGCSA-N -1 3 284.323 1.246 20 30 CDEDHM C=C1CN(c2ncc(-c3nnn[n-]3)cc2Br)C1 ZINC001588463009 1173065822 /nfs/dbraw/zinc/06/58/22/1173065822.db2.gz WOACVOCAUZCDGQ-UHFFFAOYSA-N -1 3 293.128 1.400 20 30 CDEDHM C=C1CN(c2ncc(-c3nn[n-]n3)cc2Br)C1 ZINC001588463009 1173065828 /nfs/dbraw/zinc/06/58/28/1173065828.db2.gz WOACVOCAUZCDGQ-UHFFFAOYSA-N -1 3 293.128 1.400 20 30 CDEDHM C=CC[C@H](CO)CNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001588545933 1173079850 /nfs/dbraw/zinc/07/98/50/1173079850.db2.gz SANXRCFRRPROKM-QMMMGPOBSA-N -1 3 294.746 1.512 20 30 CDEDHM C=CC[C@H](CO)CNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001588545933 1173079856 /nfs/dbraw/zinc/07/98/56/1173079856.db2.gz SANXRCFRRPROKM-QMMMGPOBSA-N -1 3 294.746 1.512 20 30 CDEDHM C=CCC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588578992 1173081910 /nfs/dbraw/zinc/08/19/10/1173081910.db2.gz IHLYVUTYGQXGAG-VIFPVBQESA-N -1 3 277.303 1.745 20 30 CDEDHM C=CCC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588578992 1173081918 /nfs/dbraw/zinc/08/19/18/1173081918.db2.gz IHLYVUTYGQXGAG-VIFPVBQESA-N -1 3 277.303 1.745 20 30 CDEDHM C=CCN(C)C(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001588626531 1173091421 /nfs/dbraw/zinc/09/14/21/1173091421.db2.gz JBPGQEZIIJDVBH-UHFFFAOYSA-N -1 3 282.307 1.606 20 30 CDEDHM C=CCN(C)C(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001588626531 1173091425 /nfs/dbraw/zinc/09/14/25/1173091425.db2.gz JBPGQEZIIJDVBH-UHFFFAOYSA-N -1 3 282.307 1.606 20 30 CDEDHM C=CCOCCNc1cc(F)ccc1-c1nnn[n-]1 ZINC001588682118 1173095648 /nfs/dbraw/zinc/09/56/48/1173095648.db2.gz BONDCMFBADUHOP-UHFFFAOYSA-N -1 3 263.276 1.620 20 30 CDEDHM C=CCOCCNc1cc(F)ccc1-c1nn[n-]n1 ZINC001588682118 1173095655 /nfs/dbraw/zinc/09/56/55/1173095655.db2.gz BONDCMFBADUHOP-UHFFFAOYSA-N -1 3 263.276 1.620 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588725949 1173098752 /nfs/dbraw/zinc/09/87/52/1173098752.db2.gz OZZGUXUIGZPIOT-STQMWFEESA-N -1 3 299.334 1.188 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588725949 1173098758 /nfs/dbraw/zinc/09/87/58/1173098758.db2.gz OZZGUXUIGZPIOT-STQMWFEESA-N -1 3 299.334 1.188 20 30 CDEDHM C[C@@H](C#N)CN(C)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588931218 1173115725 /nfs/dbraw/zinc/11/57/25/1173115725.db2.gz UXTJGMFNAFOGRP-QMMMGPOBSA-N -1 3 287.283 1.371 20 30 CDEDHM C[C@@H](C#N)CN(C)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588931218 1173115727 /nfs/dbraw/zinc/11/57/27/1173115727.db2.gz UXTJGMFNAFOGRP-QMMMGPOBSA-N -1 3 287.283 1.371 20 30 CDEDHM CC(C)(C)c1cnc(Cn2cnc(C#N)c2-c2nnn[n-]2)o1 ZINC001589233858 1173130138 /nfs/dbraw/zinc/13/01/38/1173130138.db2.gz IUHXZUCGQYLVKI-UHFFFAOYSA-N -1 3 298.310 1.269 20 30 CDEDHM CCC(=NNCCCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358905 1173373948 /nfs/dbraw/zinc/37/39/48/1173373948.db2.gz KQHMQMBKKVRYGY-UHFFFAOYSA-N -1 3 288.355 1.607 20 30 CDEDHM CCC(=NNCCCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358905 1173373958 /nfs/dbraw/zinc/37/39/58/1173373958.db2.gz KQHMQMBKKVRYGY-UHFFFAOYSA-N -1 3 288.355 1.607 20 30 CDEDHM CC[C@](C)(C#N)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001590371901 1173381595 /nfs/dbraw/zinc/38/15/95/1173381595.db2.gz LLAGCXCIOCEUIS-OAHLLOKOSA-N -1 3 296.334 1.696 20 30 CDEDHM CC[C@](C)(C#N)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001590371901 1173381600 /nfs/dbraw/zinc/38/16/00/1173381600.db2.gz LLAGCXCIOCEUIS-OAHLLOKOSA-N -1 3 296.334 1.696 20 30 CDEDHM COc1ccc(C=NNc2cnn(C)c2)cc1-c1nnn[n-]1 ZINC001591582319 1173670643 /nfs/dbraw/zinc/67/06/43/1173670643.db2.gz JLBRXFUMFDFDGG-UHFFFAOYSA-N -1 3 298.310 1.055 20 30 CDEDHM COc1ccc(C=NNc2cnn(C)c2)cc1-c1nn[n-]n1 ZINC001591582319 1173670645 /nfs/dbraw/zinc/67/06/45/1173670645.db2.gz JLBRXFUMFDFDGG-UHFFFAOYSA-N -1 3 298.310 1.055 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CN1CCOC[C@H]1C#N ZINC001591846962 1173715054 /nfs/dbraw/zinc/71/50/54/1173715054.db2.gz NLYHDUSTBSZIMY-CYBMUJFWSA-N -1 3 298.350 1.208 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN1CCOC[C@H]1C#N ZINC001591846962 1173715061 /nfs/dbraw/zinc/71/50/61/1173715061.db2.gz NLYHDUSTBSZIMY-CYBMUJFWSA-N -1 3 298.350 1.208 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N([C@@H](C)C#N)C1CC1 ZINC001591861015 1173725315 /nfs/dbraw/zinc/72/53/15/1173725315.db2.gz NBJNHCMRDKMGIN-JTQLQIEISA-N -1 3 296.334 1.692 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N([C@@H](C)C#N)C1CC1 ZINC001591861015 1173725319 /nfs/dbraw/zinc/72/53/19/1173725319.db2.gz NBJNHCMRDKMGIN-JTQLQIEISA-N -1 3 296.334 1.692 20 30 CDEDHM Cc1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)n(C)n1 ZINC001591906769 1173745536 /nfs/dbraw/zinc/74/55/36/1173745536.db2.gz GNBJCAVIXSFMMU-BQYQJAHWSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)n(C)n1 ZINC001591906769 1173745539 /nfs/dbraw/zinc/74/55/39/1173745539.db2.gz GNBJCAVIXSFMMU-BQYQJAHWSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1-c1nnn[n-]1 ZINC001592122312 1173807376 /nfs/dbraw/zinc/80/73/76/1173807376.db2.gz IPWOJBILBGNVNF-LBPRGKRZSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1-c1nn[n-]n1 ZINC001592122312 1173807383 /nfs/dbraw/zinc/80/73/83/1173807383.db2.gz IPWOJBILBGNVNF-LBPRGKRZSA-N -1 3 298.350 1.843 20 30 CDEDHM Cc1nnc(N2CCC[C@H](C#N)C2)c(-c2nnn[n-]2)c1C ZINC001592447775 1173890730 /nfs/dbraw/zinc/89/07/30/1173890730.db2.gz CJUSVYKTNBSMQB-SNVBAGLBSA-N -1 3 284.327 1.014 20 30 CDEDHM Cc1nnc(N2CCC[C@H](C#N)C2)c(-c2nn[n-]n2)c1C ZINC001592447775 1173890737 /nfs/dbraw/zinc/89/07/37/1173890737.db2.gz CJUSVYKTNBSMQB-SNVBAGLBSA-N -1 3 284.327 1.014 20 30 CDEDHM N#CC1(CC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001592666571 1173959656 /nfs/dbraw/zinc/95/96/56/1173959656.db2.gz GOAGUJPRTHDUSK-UHFFFAOYSA-N -1 3 294.318 1.403 20 30 CDEDHM N#CC1(CC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001592666571 1173959662 /nfs/dbraw/zinc/95/96/62/1173959662.db2.gz GOAGUJPRTHDUSK-UHFFFAOYSA-N -1 3 294.318 1.403 20 30 CDEDHM N#CC1(COC(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001592669723 1173959861 /nfs/dbraw/zinc/95/98/61/1173959861.db2.gz KWKHIRIUIMZGDZ-UHFFFAOYSA-N -1 3 287.254 1.466 20 30 CDEDHM N#CC1(COC(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001592669723 1173959866 /nfs/dbraw/zinc/95/98/66/1173959866.db2.gz KWKHIRIUIMZGDZ-UHFFFAOYSA-N -1 3 287.254 1.466 20 30 CDEDHM N#C[C@]1(F)CCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001592670500 1173959958 /nfs/dbraw/zinc/95/99/58/1173959958.db2.gz DEPAPXCCTGZOGN-GFCCVEGCSA-N -1 3 292.705 1.962 20 30 CDEDHM N#C[C@]1(F)CCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001592670500 1173959961 /nfs/dbraw/zinc/95/99/61/1173959961.db2.gz DEPAPXCCTGZOGN-GFCCVEGCSA-N -1 3 292.705 1.962 20 30 CDEDHM N#CC1(C[C@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001592668712 1173961126 /nfs/dbraw/zinc/96/11/26/1173961126.db2.gz OUCFBNGOIQSNSJ-JTQLQIEISA-N -1 3 285.307 1.300 20 30 CDEDHM N#CC1(C[C@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001592668712 1173961134 /nfs/dbraw/zinc/96/11/34/1173961134.db2.gz OUCFBNGOIQSNSJ-JTQLQIEISA-N -1 3 285.307 1.300 20 30 CDEDHM N#CCCOCCOc1ccccc1-c1nnn[n-]1 ZINC001592678287 1173969548 /nfs/dbraw/zinc/96/95/48/1173969548.db2.gz RDSPXINLGAGOTI-UHFFFAOYSA-N -1 3 259.269 1.176 20 30 CDEDHM N#CCCOCCOc1ccccc1-c1nn[n-]n1 ZINC001592678287 1173969553 /nfs/dbraw/zinc/96/95/53/1173969553.db2.gz RDSPXINLGAGOTI-UHFFFAOYSA-N -1 3 259.269 1.176 20 30 CDEDHM N#Cc1cc(-c2nnn[n-]2)c(SC/C=C\Cl)nc1N ZINC001592686712 1173972275 /nfs/dbraw/zinc/97/22/75/1173972275.db2.gz GXTADTNBMHAMNN-UPHRSURJSA-N -1 3 293.743 1.560 20 30 CDEDHM N#Cc1cc(-c2nn[n-]n2)c(SC/C=C\Cl)nc1N ZINC001592686712 1173972280 /nfs/dbraw/zinc/97/22/80/1173972280.db2.gz GXTADTNBMHAMNN-UPHRSURJSA-N -1 3 293.743 1.560 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@H](C2CC2)C1 ZINC001592698378 1173975531 /nfs/dbraw/zinc/97/55/31/1173975531.db2.gz YVSDRMCQZZIUKR-LBPRGKRZSA-N -1 3 280.335 1.975 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@H](C2CC2)C1 ZINC001592698378 1173975537 /nfs/dbraw/zinc/97/55/37/1173975537.db2.gz YVSDRMCQZZIUKR-LBPRGKRZSA-N -1 3 280.335 1.975 20 30 CDEDHM N#Cc1cccn(Cc2ccc(-c3nnn[n-]3)s2)c1=O ZINC001592702795 1173977154 /nfs/dbraw/zinc/97/71/54/1173977154.db2.gz AZFHNIMTPACSMM-UHFFFAOYSA-N -1 3 284.304 1.010 20 30 CDEDHM N#Cc1cncc(N2CCc3ccc(-c4nnn[n-]4)cc32)n1 ZINC001592704412 1173979012 /nfs/dbraw/zinc/97/90/12/1173979012.db2.gz JGXZCKJIASXFOP-UHFFFAOYSA-N -1 3 290.290 1.223 20 30 CDEDHM N#Cc1cncc(N2CCc3ccc(-c4nn[n-]n4)cc32)n1 ZINC001592704412 1173979016 /nfs/dbraw/zinc/97/90/16/1173979016.db2.gz JGXZCKJIASXFOP-UHFFFAOYSA-N -1 3 290.290 1.223 20 30 CDEDHM N#CC1(C(=O)[O-])CCN(Cc2ccc(CO)cc2)CC1 ZINC001601052482 1174716333 /nfs/dbraw/zinc/71/63/33/1174716333.db2.gz QXSSBEWSCZZDMT-UHFFFAOYSA-N -1 3 274.320 1.369 20 30 CDEDHM C#CC(C)(C)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602690647 1175353811 /nfs/dbraw/zinc/35/38/11/1175353811.db2.gz YECQRXGNYWKMAG-NSHDSACASA-N -1 3 297.362 1.573 20 30 CDEDHM C#CC(C)(C)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602690647 1175353821 /nfs/dbraw/zinc/35/38/21/1175353821.db2.gz YECQRXGNYWKMAG-NSHDSACASA-N -1 3 297.362 1.573 20 30 CDEDHM C#C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602697032 1175361669 /nfs/dbraw/zinc/36/16/69/1175361669.db2.gz QBWUGGLHNJWJRN-NSHDSACASA-N -1 3 253.309 1.716 20 30 CDEDHM C#CCC[C@H](O)CNc1cc(-c2nnn[n-]2)ccc1C(C)=O ZINC001602702555 1175365124 /nfs/dbraw/zinc/36/51/24/1175365124.db2.gz HHFTVCNIEUZVIZ-LBPRGKRZSA-N -1 3 299.334 1.256 20 30 CDEDHM C#CCC[C@H](O)CNc1cc(-c2nn[n-]n2)ccc1C(C)=O ZINC001602702555 1175365131 /nfs/dbraw/zinc/36/51/31/1175365131.db2.gz HHFTVCNIEUZVIZ-LBPRGKRZSA-N -1 3 299.334 1.256 20 30 CDEDHM C=C(C)CCN1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)OC ZINC001602760863 1175389765 /nfs/dbraw/zinc/38/97/65/1175389765.db2.gz KPHKJNCVVHOJEC-QWRGUYRKSA-N -1 3 255.314 1.291 20 30 CDEDHM C=C[C@H](COC)Nc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001602802947 1175406418 /nfs/dbraw/zinc/40/64/18/1175406418.db2.gz DWCXMNAODRDFSD-MRVPVSSYSA-N -1 3 294.746 1.836 20 30 CDEDHM C=C[C@H](COC)Nc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001602802947 1175406425 /nfs/dbraw/zinc/40/64/25/1175406425.db2.gz DWCXMNAODRDFSD-MRVPVSSYSA-N -1 3 294.746 1.836 20 30 CDEDHM C=CC[C@@H](C)NC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001602811120 1175412767 /nfs/dbraw/zinc/41/27/67/1175412767.db2.gz DOTQQEXMRCIQAW-MRVPVSSYSA-N -1 3 292.368 1.692 20 30 CDEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)o1)[C@@H](C)COC ZINC001602851881 1175435575 /nfs/dbraw/zinc/43/55/75/1175435575.db2.gz AUQALLXPRNCKGJ-JTQLQIEISA-N -1 3 277.328 1.483 20 30 CDEDHM C[C@@H](C#N)CNC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602989841 1175473397 /nfs/dbraw/zinc/47/33/97/1175473397.db2.gz USHZTQNKTJSSOR-JTQLQIEISA-N -1 3 296.334 1.174 20 30 CDEDHM C[C@@H](C#N)CNC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602989841 1175473400 /nfs/dbraw/zinc/47/34/00/1175473400.db2.gz USHZTQNKTJSSOR-JTQLQIEISA-N -1 3 296.334 1.174 20 30 CDEDHM C[C@H](CC#N)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603441581 1175553725 /nfs/dbraw/zinc/55/37/25/1175553725.db2.gz AIEBOIZZNZIVFI-SSDOTTSWSA-N -1 3 273.256 1.489 20 30 CDEDHM C[C@H](CC#N)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603441581 1175553731 /nfs/dbraw/zinc/55/37/31/1175553731.db2.gz AIEBOIZZNZIVFI-SSDOTTSWSA-N -1 3 273.256 1.489 20 30 CDEDHM C[C@@H](NC(=O)C(C)(C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001603602956 1175575977 /nfs/dbraw/zinc/57/59/77/1175575977.db2.gz GDZOBBXCSFXMDZ-SECBINFHSA-N -1 3 284.323 1.594 20 30 CDEDHM C[C@@H](NC(=O)C(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001603602956 1175575980 /nfs/dbraw/zinc/57/59/80/1175575980.db2.gz GDZOBBXCSFXMDZ-SECBINFHSA-N -1 3 284.323 1.594 20 30 CDEDHM C=C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)OC ZINC001609052628 1164743973 /nfs/dbraw/zinc/74/39/73/1164743973.db2.gz KQHLBVAOWFRGPP-VIFPVBQESA-N -1 3 294.311 1.826 20 30 CDEDHM C=C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)OC ZINC001609052628 1164743978 /nfs/dbraw/zinc/74/39/78/1164743978.db2.gz KQHLBVAOWFRGPP-VIFPVBQESA-N -1 3 294.311 1.826 20 30 CDEDHM C=CCCO[C@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001609055319 1164750537 /nfs/dbraw/zinc/75/05/37/1164750537.db2.gz VBWLWTDDEGXBCW-SNVBAGLBSA-N -1 3 288.307 1.753 20 30 CDEDHM C=CCCO[C@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609055319 1164750544 /nfs/dbraw/zinc/75/05/44/1164750544.db2.gz VBWLWTDDEGXBCW-SNVBAGLBSA-N -1 3 288.307 1.753 20 30 CDEDHM CC[C@H](CC#N)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001609187442 1164828862 /nfs/dbraw/zinc/82/88/62/1164828862.db2.gz DMUJZGMULQBJGH-SECBINFHSA-N -1 3 257.301 1.674 20 30 CDEDHM CC[C@H](CC#N)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001609187442 1164828863 /nfs/dbraw/zinc/82/88/63/1164828863.db2.gz DMUJZGMULQBJGH-SECBINFHSA-N -1 3 257.301 1.674 20 30 CDEDHM COc1ccc(CNC[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001609355416 1164909112 /nfs/dbraw/zinc/90/91/12/1164909112.db2.gz FHAFVWHZRCESTO-SECBINFHSA-N -1 3 272.312 1.125 20 30 CDEDHM COc1ccc(CNC[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC001609355416 1164909116 /nfs/dbraw/zinc/90/91/16/1164909116.db2.gz FHAFVWHZRCESTO-SECBINFHSA-N -1 3 272.312 1.125 20 30 CDEDHM CCN(CC(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000848138955 773839861 /nfs/dbraw/zinc/83/98/61/773839861.db2.gz QSXVEBJUVVMMTA-CYBMUJFWSA-N -1 3 291.351 1.009 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000854702316 773986195 /nfs/dbraw/zinc/98/61/95/773986195.db2.gz NKEFKJVNMPCZJG-ZDUSSCGKSA-N -1 3 260.272 1.629 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000846554237 774018950 /nfs/dbraw/zinc/01/89/50/774018950.db2.gz IORNSVUEOFWAJF-BDAKNGLRSA-N -1 3 266.263 1.493 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(F)cc2ccoc21 ZINC000820543841 774130940 /nfs/dbraw/zinc/13/09/40/774130940.db2.gz ALYXFQDGGSLJDN-NSHDSACASA-N -1 3 292.266 1.682 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)C(F)=C1CCCC1 ZINC000848136983 774326506 /nfs/dbraw/zinc/32/65/06/774326506.db2.gz VSFFRJQRQOZJKW-VIFPVBQESA-N -1 3 256.277 1.280 20 30 CDEDHM N#Cc1cc([O-])cc(C(=O)OC[C@@H]2CCNC(=O)CC2)c1 ZINC000837647322 774488511 /nfs/dbraw/zinc/48/85/11/774488511.db2.gz YXJMYPOUPJBESA-JTQLQIEISA-N -1 3 288.303 1.337 20 30 CDEDHM C=C[C@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000781580759 774521023 /nfs/dbraw/zinc/52/10/23/774521023.db2.gz AVRKNUXZJILAKN-VIFPVBQESA-N -1 3 269.322 1.789 20 30 CDEDHM C#C[C@@H](NCc1nc(CC)cc(=O)[n-]1)[C@H]1CCCO1 ZINC000775791948 774546887 /nfs/dbraw/zinc/54/68/87/774546887.db2.gz XQIVYEILXPLANA-VXGBXAGGSA-N -1 3 261.325 1.015 20 30 CDEDHM Cc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C(C)C)n1 ZINC000848131421 774691141 /nfs/dbraw/zinc/69/11/41/774691141.db2.gz FTVSZPIDSNQDAW-GFCCVEGCSA-N -1 3 291.351 1.623 20 30 CDEDHM O=C(Cc1cccc(C(F)F)c1)N[C@H]1CCCN([O-])C1=O ZINC000848133784 774828279 /nfs/dbraw/zinc/82/82/79/774828279.db2.gz GZJJSLOZDUUISB-NSHDSACASA-N -1 3 298.289 1.663 20 30 CDEDHM CC[C@](C)(NC(=O)N[C@@H]1CCCN([O-])C1=O)C(F)(F)F ZINC000933515869 774882592 /nfs/dbraw/zinc/88/25/92/774882592.db2.gz MQIILOGQPZYTPU-XCBNKYQSSA-N -1 3 297.277 1.397 20 30 CDEDHM N#CCN1CC[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001041088251 774960797 /nfs/dbraw/zinc/96/07/97/774960797.db2.gz NXLAUQKPLHPTNN-MRXNPFEDSA-N -1 3 285.347 1.454 20 30 CDEDHM CC1(C)C[C@]1(C(=O)N[C@H]1CCN([O-])C1=O)c1ccccc1 ZINC000820126347 775000587 /nfs/dbraw/zinc/00/05/87/775000587.db2.gz ANZYBMFURPTPRQ-BLLLJJGKSA-N -1 3 288.347 1.461 20 30 CDEDHM C#CC[C@@H](CCOC)NC(=O)c1cccc2n[n-]nc21 ZINC000863783931 775016157 /nfs/dbraw/zinc/01/61/57/775016157.db2.gz XHXWRCJIRXGCDT-JTQLQIEISA-N -1 3 272.308 1.116 20 30 CDEDHM C[C@@H]1CC/C(=C/C(=O)N[C@@H]2CCCN([O-])C2=O)C1 ZINC000816753812 775038746 /nfs/dbraw/zinc/03/87/46/775038746.db2.gz PSHRYPUIUDCJFG-LFTXZHPPSA-N -1 3 252.314 1.229 20 30 CDEDHM C#CC[C@@H](CCOC)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000863784748 775434663 /nfs/dbraw/zinc/43/46/63/775434663.db2.gz RCQNRMLBEYQJJS-JTQLQIEISA-N -1 3 291.303 1.279 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)CCCNC(=O)c1ccccc1 ZINC000846542502 775480102 /nfs/dbraw/zinc/48/01/02/775480102.db2.gz DBBRKQHLRZBFOZ-GFCCVEGCSA-N -1 3 276.336 1.819 20 30 CDEDHM Cc1noc(C(F)F)c1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848136495 775759204 /nfs/dbraw/zinc/75/92/04/775759204.db2.gz NUBPSASZALOOAP-LURJTMIESA-N -1 3 289.238 1.031 20 30 CDEDHM O=C(C[C@@H]1C=CCCC1)N[C@H]1CCCN([O-])C1=O ZINC000848134121 776027561 /nfs/dbraw/zinc/02/75/61/776027561.db2.gz NWDDWLAORIHBQM-MNOVXSKESA-N -1 3 252.314 1.229 20 30 CDEDHM CC[C@H](O)CNN=Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000834981014 776036014 /nfs/dbraw/zinc/03/60/14/776036014.db2.gz WSVXLFUJMQIYKI-VIFPVBQESA-N -1 3 283.284 1.003 20 30 CDEDHM CC[C@H](O)CNN=Cc1cc(Br)ccc1[O-] ZINC000811654209 776038674 /nfs/dbraw/zinc/03/86/74/776038674.db2.gz UKYNBHNNYUMDRO-JTQLQIEISA-N -1 3 287.157 1.849 20 30 CDEDHM C=C(Br)CNc1ccc(-c2nnn[n-]2)nc1 ZINC000819718905 776075552 /nfs/dbraw/zinc/07/55/52/776075552.db2.gz UCWZNWCFJHZARY-UHFFFAOYSA-N -1 3 281.117 1.582 20 30 CDEDHM C=C(Br)CNc1ccc(-c2nn[n-]n2)nc1 ZINC000819718905 776075558 /nfs/dbraw/zinc/07/55/58/776075558.db2.gz UCWZNWCFJHZARY-UHFFFAOYSA-N -1 3 281.117 1.582 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H](F)c1ccccc1 ZINC000848133725 776086064 /nfs/dbraw/zinc/08/60/64/776086064.db2.gz GCWQXKMTEQGQKC-QWRGUYRKSA-N -1 3 266.272 1.194 20 30 CDEDHM CCc1cccc(C(=O)N2CCO[C@@](C)(C#N)C2)c1[O-] ZINC000887680716 776267651 /nfs/dbraw/zinc/26/76/51/776267651.db2.gz LBFTZOZSTWYVCH-HNNXBMFYSA-N -1 3 274.320 1.709 20 30 CDEDHM 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ZINC001591882555 1173736149 /nfs/dbraw/zinc/73/61/49/1173736149.db2.gz SHEZBZNMDNSZOO-ONGXEEELSA-N -1 3 298.306 1.419 20 30 CDEDHM Cc1cc(C(=O)OC(C)(C)C#N)cc(C)c1-c1nnn[n-]1 ZINC001591935696 1173751119 /nfs/dbraw/zinc/75/11/19/1173751119.db2.gz YJCQALYPQCHKIJ-UHFFFAOYSA-N -1 3 285.307 1.943 20 30 CDEDHM Cc1cc(C(=O)OC(C)(C)C#N)cc(C)c1-c1nn[n-]n1 ZINC001591935696 1173751125 /nfs/dbraw/zinc/75/11/25/1173751125.db2.gz YJCQALYPQCHKIJ-UHFFFAOYSA-N -1 3 285.307 1.943 20 30 CDEDHM Cc1cc(C=NOC[C@H]2CCOC2)ccc1-c1nnn[n-]1 ZINC001591958482 1173757770 /nfs/dbraw/zinc/75/77/70/1173757770.db2.gz FTLBKYQHLZLHFI-LBPRGKRZSA-N -1 3 287.323 1.562 20 30 CDEDHM Cc1cc(C=NOC[C@H]2CCOC2)ccc1-c1nn[n-]n1 ZINC001591958482 1173757774 /nfs/dbraw/zinc/75/77/74/1173757774.db2.gz FTLBKYQHLZLHFI-LBPRGKRZSA-N -1 3 287.323 1.562 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(C#N)CC1 ZINC001592106350 1173801765 /nfs/dbraw/zinc/80/17/65/1173801765.db2.gz PCUOFJXFOMFHJN-UHFFFAOYSA-N -1 3 297.322 1.600 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(C#N)CC1 ZINC001592106350 1173801774 /nfs/dbraw/zinc/80/17/74/1173801774.db2.gz PCUOFJXFOMFHJN-UHFFFAOYSA-N -1 3 297.322 1.600 20 30 CDEDHM FC(F)CON=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001592624027 1173932451 /nfs/dbraw/zinc/93/24/51/1173932451.db2.gz WARUOTQKSRIRCW-UHFFFAOYSA-N -1 3 293.237 1.130 20 30 CDEDHM FC(F)CON=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001592624027 1173932457 /nfs/dbraw/zinc/93/24/57/1173932457.db2.gz WARUOTQKSRIRCW-UHFFFAOYSA-N -1 3 293.237 1.130 20 30 CDEDHM Fc1ccc(CON=CC2CC2)c(-c2nnn[n-]2)c1 ZINC001592650846 1173953655 /nfs/dbraw/zinc/95/36/55/1173953655.db2.gz ACIWAWXHOWPHMS-UHFFFAOYSA-N -1 3 261.260 1.918 20 30 CDEDHM Fc1ccc(CON=CC2CC2)c(-c2nn[n-]n2)c1 ZINC001592650846 1173953658 /nfs/dbraw/zinc/95/36/58/1173953658.db2.gz ACIWAWXHOWPHMS-UHFFFAOYSA-N -1 3 261.260 1.918 20 30 CDEDHM N#C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001592668578 1173961312 /nfs/dbraw/zinc/96/13/12/1173961312.db2.gz LSGMTRSKPCQYSN-LLVKDONJSA-N -1 3 285.311 1.007 20 30 CDEDHM N#C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001592668578 1173961318 /nfs/dbraw/zinc/96/13/18/1173961318.db2.gz LSGMTRSKPCQYSN-LLVKDONJSA-N -1 3 285.311 1.007 20 30 CDEDHM N#CC1(COc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001592669375 1173961522 /nfs/dbraw/zinc/96/15/22/1173961522.db2.gz HGZSLUBOXAQDHV-UHFFFAOYSA-N -1 3 255.281 1.939 20 30 CDEDHM N#CC1(COc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001592669375 1173961527 /nfs/dbraw/zinc/96/15/27/1173961527.db2.gz HGZSLUBOXAQDHV-UHFFFAOYSA-N -1 3 255.281 1.939 20 30 CDEDHM N#C[C@@H]1CC[C@H](OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592672904 1173964019 /nfs/dbraw/zinc/96/40/19/1173964019.db2.gz PPZCZMZDLYHNIZ-YPMHNXCESA-N -1 3 297.318 1.645 20 30 CDEDHM N#C[C@@H]1CC[C@H](OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592672904 1173964023 /nfs/dbraw/zinc/96/40/23/1173964023.db2.gz PPZCZMZDLYHNIZ-YPMHNXCESA-N -1 3 297.318 1.645 20 30 CDEDHM N#CCC1(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC001592675150 1173966550 /nfs/dbraw/zinc/96/65/50/1173966550.db2.gz NLMVJNAMBIRWEQ-UHFFFAOYSA-N -1 3 295.350 1.856 20 30 CDEDHM N#CCC1(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC001592675150 1173966559 /nfs/dbraw/zinc/96/65/59/1173966559.db2.gz NLMVJNAMBIRWEQ-UHFFFAOYSA-N -1 3 295.350 1.856 20 30 CDEDHM N#CCC[C@@H](C#N)CNCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592675164 1173967053 /nfs/dbraw/zinc/96/70/53/1173967053.db2.gz SJOOZWDXADSXJM-NSHDSACASA-N -1 3 299.313 1.539 20 30 CDEDHM N#CCC[C@@H](C#N)CNCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592675164 1173967057 /nfs/dbraw/zinc/96/70/57/1173967057.db2.gz SJOOZWDXADSXJM-NSHDSACASA-N -1 3 299.313 1.539 20 30 CDEDHM N#CCCOCCN1CCc2c1cccc2-c1nnn[n-]1 ZINC001592677646 1173967814 /nfs/dbraw/zinc/96/78/14/1173967814.db2.gz DESKLIGWNAOCNH-UHFFFAOYSA-N -1 3 284.323 1.159 20 30 CDEDHM N#CCCOCCN1CCc2c1cccc2-c1nn[n-]n1 ZINC001592677646 1173967818 /nfs/dbraw/zinc/96/78/18/1173967818.db2.gz DESKLIGWNAOCNH-UHFFFAOYSA-N -1 3 284.323 1.159 20 30 CDEDHM N#Cc1ccc(CCNc2nnccc2-c2nnn[n-]2)cc1 ZINC001592693031 1173971053 /nfs/dbraw/zinc/97/10/53/1173971053.db2.gz WZPDTQCXQRDUNR-UHFFFAOYSA-N -1 3 292.306 1.183 20 30 CDEDHM N#Cc1ccc(CCNc2nnccc2-c2nn[n-]n2)cc1 ZINC001592693031 1173971055 /nfs/dbraw/zinc/97/10/55/1173971055.db2.gz WZPDTQCXQRDUNR-UHFFFAOYSA-N -1 3 292.306 1.183 20 30 CDEDHM O=C(C#CC1CC1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001592769767 1173990031 /nfs/dbraw/zinc/99/00/31/1173990031.db2.gz YBHSTRQVFPTRBL-UHFFFAOYSA-N -1 3 285.282 1.035 20 30 CDEDHM O=C(C#CC1CC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001592769767 1173990036 /nfs/dbraw/zinc/99/00/36/1173990036.db2.gz YBHSTRQVFPTRBL-UHFFFAOYSA-N -1 3 285.282 1.035 20 30 CDEDHM N#C[C@@H]1CC[C@@H](N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001601059780 1174720674 /nfs/dbraw/zinc/72/06/74/1174720674.db2.gz NDZQIGIPFPZIFT-UTUOFQBUSA-N -1 3 289.339 1.305 20 30 CDEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CC[C@H](n3cncn3)C2)c1 ZINC001601119710 1174749115 /nfs/dbraw/zinc/74/91/15/1174749115.db2.gz WTFUUGAKXNPAPJ-UONOGXRCSA-N -1 3 297.318 1.222 20 30 CDEDHM C#CC[C@@H](NCc1cc(OC)c(OC)cc1OC)C(=O)[O-] ZINC001602693838 1175358944 /nfs/dbraw/zinc/35/89/44/1175358944.db2.gz BARIGHFBSZJSFJ-LLVKDONJSA-N -1 3 293.319 1.279 20 30 CDEDHM C#C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602697049 1175361377 /nfs/dbraw/zinc/36/13/77/1175361377.db2.gz QKYHFBOSLGWVPH-JTQLQIEISA-N -1 3 298.306 1.767 20 30 CDEDHM C#C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602697049 1175361380 /nfs/dbraw/zinc/36/13/80/1175361380.db2.gz QKYHFBOSLGWVPH-JTQLQIEISA-N -1 3 298.306 1.767 20 30 CDEDHM C#CC[C@H]1CCCN(c2nnc(C)c(C)c2-c2nnn[n-]2)C1 ZINC001602700541 1175366043 /nfs/dbraw/zinc/36/60/43/1175366043.db2.gz YMAJISIOVWSWKN-LBPRGKRZSA-N -1 3 297.366 1.513 20 30 CDEDHM C#CC[C@H]1CCCN(c2nnc(C)c(C)c2-c2nn[n-]n2)C1 ZINC001602700541 1175366050 /nfs/dbraw/zinc/36/60/50/1175366050.db2.gz YMAJISIOVWSWKN-LBPRGKRZSA-N -1 3 297.366 1.513 20 30 CDEDHM C#CCCNC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001602712747 1175371367 /nfs/dbraw/zinc/37/13/67/1175371367.db2.gz 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/nfs/dbraw/zinc/40/77/23/1175407723.db2.gz YPEWIWFLMYCUSG-QMMMGPOBSA-N -1 3 267.247 1.262 20 30 CDEDHM C=CCN(C(=O)c1cc(-c2nnn[n-]2)ccc1C)C1CC1 ZINC001602847057 1175432344 /nfs/dbraw/zinc/43/23/44/1175432344.db2.gz HKNKVUBGPMKSRK-UHFFFAOYSA-N -1 3 283.335 1.966 20 30 CDEDHM C=CCN(C(=O)c1cc(-c2nn[n-]n2)ccc1C)C1CC1 ZINC001602847057 1175432348 /nfs/dbraw/zinc/43/23/48/1175432348.db2.gz HKNKVUBGPMKSRK-UHFFFAOYSA-N -1 3 283.335 1.966 20 30 CDEDHM C=CCN1CC[C@@H](Nc2cc(-c3nnn[n-]3)ccc2C)C1=O ZINC001602862548 1175438226 /nfs/dbraw/zinc/43/82/26/1175438226.db2.gz JXWGBBGWFWBECY-GFCCVEGCSA-N -1 3 298.350 1.374 20 30 CDEDHM C=CCN1CC[C@@H](Nc2cc(-c3nn[n-]n3)ccc2C)C1=O ZINC001602862548 1175438231 /nfs/dbraw/zinc/43/82/31/1175438231.db2.gz JXWGBBGWFWBECY-GFCCVEGCSA-N -1 3 298.350 1.374 20 30 CDEDHM CC#CCN(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602894383 1175446862 /nfs/dbraw/zinc/44/68/62/1175446862.db2.gz YWOJTAPJIRPIQN-KTKRTIGZSA-N -1 3 281.319 1.362 20 30 CDEDHM CC#CCN(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602894383 1175446866 /nfs/dbraw/zinc/44/68/66/1175446866.db2.gz YWOJTAPJIRPIQN-KTKRTIGZSA-N -1 3 281.319 1.362 20 30 CDEDHM CC#CCN(C)C(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001602894121 1175447000 /nfs/dbraw/zinc/44/70/00/1175447000.db2.gz PXTSUEWQNOSJPZ-UHFFFAOYSA-N -1 3 294.318 1.443 20 30 CDEDHM CC#CCN(C)C(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001602894121 1175447002 /nfs/dbraw/zinc/44/70/02/1175447002.db2.gz PXTSUEWQNOSJPZ-UHFFFAOYSA-N -1 3 294.318 1.443 20 30 CDEDHM C[C@H](C#N)OCCNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001602988803 1175473710 /nfs/dbraw/zinc/47/37/10/1175473710.db2.gz JRJBUZMXUSNSRL-MRVPVSSYSA-N -1 3 276.275 1.346 20 30 CDEDHM C[C@H](C#N)OCCNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001602988803 1175473712 /nfs/dbraw/zinc/47/37/12/1175473712.db2.gz JRJBUZMXUSNSRL-MRVPVSSYSA-N -1 3 276.275 1.346 20 30 CDEDHM C[C@H](CCCCO)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603473846 1175555787 /nfs/dbraw/zinc/55/57/87/1175555787.db2.gz ZNMZCMOKBRFQGV-SNVBAGLBSA-N -1 3 286.339 1.701 20 30 CDEDHM C[C@H](CCCCO)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603473846 1175555793 /nfs/dbraw/zinc/55/57/93/1175555793.db2.gz ZNMZCMOKBRFQGV-SNVBAGLBSA-N -1 3 286.339 1.701 20 30 CDEDHM C[C@@H](Cn1c(N)nc(C#N)c1-c1nnn[n-]1)CC(C)(C)C ZINC001603591097 1175572183 /nfs/dbraw/zinc/57/21/83/1175572183.db2.gz UYVDLAGFNLVORR-MRVPVSSYSA-N -1 3 288.359 1.589 20 30 CDEDHM C[C@@H](Cn1c(N)nc(C#N)c1-c1nn[n-]n1)CC(C)(C)C ZINC001603591097 1175572191 /nfs/dbraw/zinc/57/21/91/1175572191.db2.gz UYVDLAGFNLVORR-MRVPVSSYSA-N -1 3 288.359 1.589 20 30 CDEDHM CC(C)(NCCCCC#N)c1nocc1C(=O)[O-] ZINC001603680771 1175595393 /nfs/dbraw/zinc/59/53/93/1175595393.db2.gz IMWWFWXLKLRBNZ-UHFFFAOYSA-N -1 3 251.286 1.891 20 30 CDEDHM C[C@]1(C#N)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603736076 1175612148 /nfs/dbraw/zinc/61/21/48/1175612148.db2.gz DJFLDLKCZKJWSV-CYBMUJFWSA-N -1 3 299.294 1.515 20 30 CDEDHM C[C@]1(C#N)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603736076 1175612161 /nfs/dbraw/zinc/61/21/61/1175612161.db2.gz 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/nfs/dbraw/zinc/88/35/05/1164883505.db2.gz BPXFJKXRCZVQER-VIFPVBQESA-N -1 3 288.311 1.464 20 30 CDEDHM COC(=O)[C@@H](C)CCN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609292304 1164883511 /nfs/dbraw/zinc/88/35/11/1164883511.db2.gz BPXFJKXRCZVQER-VIFPVBQESA-N -1 3 288.311 1.464 20 30 CDEDHM Cc1cc(NC(=O)C2(C#N)CCC2)cc(-c2nnn[n-]2)c1 ZINC001609406078 1164932412 /nfs/dbraw/zinc/93/24/12/1164932412.db2.gz KFJSSNXMHWNPOE-UHFFFAOYSA-N -1 3 282.307 1.808 20 30 CDEDHM Cc1cc(NC(=O)C2(C#N)CCC2)cc(-c2nn[n-]n2)c1 ZINC001609406078 1164932416 /nfs/dbraw/zinc/93/24/16/1164932416.db2.gz KFJSSNXMHWNPOE-UHFFFAOYSA-N -1 3 282.307 1.808 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCC[C@H](O)C1 ZINC001609499641 1164978594 /nfs/dbraw/zinc/97/85/94/1164978594.db2.gz CEVBAPVBCRKKDR-JQWIXIFHSA-N -1 3 298.350 1.701 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCC[C@H](O)C1 ZINC001609499641 1164978600 /nfs/dbraw/zinc/97/86/00/1164978600.db2.gz CEVBAPVBCRKKDR-JQWIXIFHSA-N -1 3 298.350 1.701 20 30 CDEDHM O=C(Nc1cccc2c1OCC2)N[C@@H]1CCCN([O-])C1=O ZINC000880165566 1166464108 /nfs/dbraw/zinc/46/41/08/1166464108.db2.gz SRKPAEMQDRDVNK-LLVKDONJSA-N -1 3 291.307 1.123 20 30 CDEDHM CCc1cc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)on1 ZINC001649708593 1169299144 /nfs/dbraw/zinc/29/91/44/1169299144.db2.gz YHUWZVVYTJAVEJ-UHFFFAOYSA-N -1 3 291.332 1.476 20 30 CDEDHM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)C(C)C ZINC001588329799 1173030399 /nfs/dbraw/zinc/03/03/99/1173030399.db2.gz NYCYFBZRNSYXNC-CYBMUJFWSA-N -1 3 283.335 1.563 20 30 CDEDHM C#C[C@H](N[C@@H](C)c1cc(-c2nnn[n-]2)ccn1)[C@H]1CCCO1 ZINC001588328725 1173030813 /nfs/dbraw/zinc/03/08/13/1173030813.db2.gz OYERGZOLIAQXEK-VHRBIJSZSA-N -1 3 298.350 1.093 20 30 CDEDHM C#C[C@H](N[C@@H](C)c1cc(-c2nn[n-]n2)ccn1)[C@H]1CCCO1 ZINC001588328725 1173030825 /nfs/dbraw/zinc/03/08/25/1173030825.db2.gz OYERGZOLIAQXEK-VHRBIJSZSA-N -1 3 298.350 1.093 20 30 CDEDHM C#CCCCNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588346009 1173047772 /nfs/dbraw/zinc/04/77/72/1173047772.db2.gz YCKQNAGGASEIAK-UHFFFAOYSA-N -1 3 289.726 1.663 20 30 CDEDHM C#CCCCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588346009 1173047778 /nfs/dbraw/zinc/04/77/78/1173047778.db2.gz YCKQNAGGASEIAK-UHFFFAOYSA-N -1 3 289.726 1.663 20 30 CDEDHM C#CCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588348195 1173048398 /nfs/dbraw/zinc/04/83/98/1173048398.db2.gz LLAMMRYWOKGDNW-UHFFFAOYSA-N -1 3 297.362 1.670 20 30 CDEDHM C#CCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588348195 1173048402 /nfs/dbraw/zinc/04/84/02/1173048402.db2.gz LLAMMRYWOKGDNW-UHFFFAOYSA-N -1 3 297.362 1.670 20 30 CDEDHM C=C(CC)CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588442588 1173064790 /nfs/dbraw/zinc/06/47/90/1173064790.db2.gz PPUBGRJDUXMPFZ-UHFFFAOYSA-N -1 3 275.272 1.548 20 30 CDEDHM C=C(CC)CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588442588 1173064796 /nfs/dbraw/zinc/06/47/96/1173064796.db2.gz PPUBGRJDUXMPFZ-UHFFFAOYSA-N -1 3 275.272 1.548 20 30 CDEDHM C=C[C@@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588515993 1173072956 /nfs/dbraw/zinc/07/29/56/1173072956.db2.gz NASSMRWDEKBSNE-ZJUUUORDSA-N -1 3 288.307 1.752 20 30 CDEDHM C=CC1CCN(C(=O)c2cscc2-c2nnn[n-]2)CC1 ZINC001588527110 1173073847 /nfs/dbraw/zinc/07/38/47/1173073847.db2.gz BPGZDSGOMKHDHC-UHFFFAOYSA-N -1 3 289.364 1.966 20 30 CDEDHM C=CC1CCN(C(=O)c2cscc2-c2nn[n-]n2)CC1 ZINC001588527110 1173073854 /nfs/dbraw/zinc/07/38/54/1173073854.db2.gz BPGZDSGOMKHDHC-UHFFFAOYSA-N -1 3 289.364 1.966 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588527536 1173075226 /nfs/dbraw/zinc/07/52/26/1173075226.db2.gz NYIHQKGNEWEYMS-LLVKDONJSA-N -1 3 299.338 1.834 20 30 CDEDHM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588527536 1173075231 /nfs/dbraw/zinc/07/52/31/1173075231.db2.gz NYIHQKGNEWEYMS-LLVKDONJSA-N -1 3 299.338 1.834 20 30 CDEDHM C=CC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588546087 1173080059 /nfs/dbraw/zinc/08/00/59/1173080059.db2.gz WZODPYLXMWCUCX-SECBINFHSA-N -1 3 290.283 1.124 20 30 CDEDHM C=CC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588546087 1173080067 /nfs/dbraw/zinc/08/00/67/1173080067.db2.gz WZODPYLXMWCUCX-SECBINFHSA-N -1 3 290.283 1.124 20 30 CDEDHM C=CCCC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588572051 1173082606 /nfs/dbraw/zinc/08/26/06/1173082606.db2.gz WXSFHCAEEIHEAK-UHFFFAOYSA-N -1 3 269.308 1.675 20 30 CDEDHM C=CCCC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588572051 1173082611 /nfs/dbraw/zinc/08/26/11/1173082611.db2.gz WXSFHCAEEIHEAK-UHFFFAOYSA-N -1 3 269.308 1.675 20 30 CDEDHM C=C[C@H](CO)Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001588731484 1173102456 /nfs/dbraw/zinc/10/24/56/1173102456.db2.gz YDICBWJPROHIFX-SECBINFHSA-N -1 3 288.355 1.518 20 30 CDEDHM C=C[C@H](CO)Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001588731484 1173102460 /nfs/dbraw/zinc/10/24/60/1173102460.db2.gz YDICBWJPROHIFX-SECBINFHSA-N -1 3 288.355 1.518 20 30 CDEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1COCCO1 ZINC001588780570 1173105993 /nfs/dbraw/zinc/10/59/93/1173105993.db2.gz FVDIGGLIDZVREG-GFCCVEGCSA-N -1 3 288.311 1.070 20 30 CDEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1COCCO1 ZINC001588780570 1173105998 /nfs/dbraw/zinc/10/59/98/1173105998.db2.gz FVDIGGLIDZVREG-GFCCVEGCSA-N -1 3 288.311 1.070 20 30 CDEDHM C[C@@H](C#N)N(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588934374 1173115967 /nfs/dbraw/zinc/11/59/67/1173115967.db2.gz KGQSZYPTPVSDCL-JTQLQIEISA-N -1 3 296.334 1.312 20 30 CDEDHM C[C@@H](C#N)N(C(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588934374 1173115969 /nfs/dbraw/zinc/11/59/69/1173115969.db2.gz KGQSZYPTPVSDCL-JTQLQIEISA-N -1 3 296.334 1.312 20 30 CDEDHM C[C@H](CC#N)N[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001589788504 1173180995 /nfs/dbraw/zinc/18/09/95/1173180995.db2.gz ZRTNQHAYRHPPSV-ZJUUUORDSA-N -1 3 299.338 1.085 20 30 CDEDHM C[C@H](CC#N)N[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001589788504 1173180997 /nfs/dbraw/zinc/18/09/97/1173180997.db2.gz ZRTNQHAYRHPPSV-ZJUUUORDSA-N -1 3 299.338 1.085 20 30 CDEDHM C[C@@H](CC#N)N(C)Cc1cc(-c2nnn[n-]2)cnc1Cl ZINC001589787651 1173181476 /nfs/dbraw/zinc/18/14/76/1173181476.db2.gz NWQRYHLNGRVLDB-QMMMGPOBSA-N -1 3 291.746 1.649 20 30 CDEDHM C[C@@H](CC#N)N(C)Cc1cc(-c2nn[n-]n2)cnc1Cl ZINC001589787651 1173181480 /nfs/dbraw/zinc/18/14/80/1173181480.db2.gz NWQRYHLNGRVLDB-QMMMGPOBSA-N -1 3 291.746 1.649 20 30 CDEDHM C[C@H](CC#N)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC001589787684 1173182247 /nfs/dbraw/zinc/18/22/47/1173182247.db2.gz OXNHSGLQLXKTAZ-MRVPVSSYSA-N -1 3 289.270 1.599 20 30 CDEDHM C[C@H](CC#N)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC001589787684 1173182248 /nfs/dbraw/zinc/18/22/48/1173182248.db2.gz OXNHSGLQLXKTAZ-MRVPVSSYSA-N -1 3 289.270 1.599 20 30 CDEDHM C[C@H](C[C@@H]1CCOC1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589801345 1173184998 /nfs/dbraw/zinc/18/49/98/1173184998.db2.gz BTLRLGIXJYMZLL-MNOVXSKESA-N -1 3 298.350 1.965 20 30 CDEDHM C[C@H](C[C@@H]1CCOC1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589801345 1173185002 /nfs/dbraw/zinc/18/50/02/1173185002.db2.gz BTLRLGIXJYMZLL-MNOVXSKESA-N -1 3 298.350 1.965 20 30 CDEDHM C[C@H]1COCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001590326873 1173359016 /nfs/dbraw/zinc/35/90/16/1173359016.db2.gz XLQTYQPLOPTCIN-JTQLQIEISA-N -1 3 286.339 1.369 20 30 CDEDHM C[C@H]1COCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001590326873 1173359022 /nfs/dbraw/zinc/35/90/22/1173359022.db2.gz XLQTYQPLOPTCIN-JTQLQIEISA-N -1 3 286.339 1.369 20 30 CDEDHM CC[C@@H](C#N)OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001590367478 1173377891 /nfs/dbraw/zinc/37/78/91/1173377891.db2.gz ANYIUBRXDWWQRI-QMMMGPOBSA-N -1 3 272.268 1.029 20 30 CDEDHM CC[C@@H](C#N)OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001590367478 1173377898 /nfs/dbraw/zinc/37/78/98/1173377898.db2.gz ANYIUBRXDWWQRI-QMMMGPOBSA-N -1 3 272.268 1.029 20 30 CDEDHM CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](C)C#N ZINC001590675320 1173487188 /nfs/dbraw/zinc/48/71/88/1173487188.db2.gz KVWUFTAELJXSIJ-SECBINFHSA-N -1 3 270.296 1.241 20 30 CDEDHM CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)C#N ZINC001590675320 1173487191 /nfs/dbraw/zinc/48/71/91/1173487191.db2.gz KVWUFTAELJXSIJ-SECBINFHSA-N -1 3 270.296 1.241 20 30 CDEDHM CN(C)c1ccc(Cn2cnc(C#N)c2-c2nnn[n-]2)cc1 ZINC001591032454 1173563433 /nfs/dbraw/zinc/56/34/33/1173563433.db2.gz NLYYDQZKOYOYRY-UHFFFAOYSA-N -1 3 294.322 1.049 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1CN1CC[C@@](F)(C#N)C1 ZINC001591864554 1173727337 /nfs/dbraw/zinc/72/73/37/1173727337.db2.gz NDMZLJWPTRWWHB-CQSZACIVSA-N -1 3 286.314 1.613 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1CN1CC[C@@](F)(C#N)C1 ZINC001591864554 1173727340 /nfs/dbraw/zinc/72/73/40/1173727340.db2.gz NDMZLJWPTRWWHB-CQSZACIVSA-N -1 3 286.314 1.613 20 30 CDEDHM Cc1ccc(C(=O)OC[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC001592131955 1173807266 /nfs/dbraw/zinc/80/72/66/1173807266.db2.gz XJRQQJZJGLWIMC-QMMMGPOBSA-N -1 3 271.280 1.492 20 30 CDEDHM Cc1ccc(C(=O)OC[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC001592131955 1173807268 /nfs/dbraw/zinc/80/72/68/1173807268.db2.gz XJRQQJZJGLWIMC-QMMMGPOBSA-N -1 3 271.280 1.492 20 30 CDEDHM Cn1nncc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001592609813 1173929635 /nfs/dbraw/zinc/92/96/35/1173929635.db2.gz AWBBMOJUKKZOJD-HYXAFXHYSA-N -1 3 299.269 1.030 20 30 CDEDHM Cn1nncc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001592609813 1173929639 /nfs/dbraw/zinc/92/96/39/1173929639.db2.gz AWBBMOJUKKZOJD-HYXAFXHYSA-N -1 3 299.269 1.030 20 30 CDEDHM N#CC1(CNCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001592670219 1173960338 /nfs/dbraw/zinc/96/03/38/1173960338.db2.gz WCAVITAFULNPCR-UHFFFAOYSA-N -1 3 272.287 1.399 20 30 CDEDHM N#CC1(CNCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001592670219 1173960342 /nfs/dbraw/zinc/96/03/42/1173960342.db2.gz WCAVITAFULNPCR-UHFFFAOYSA-N -1 3 272.287 1.399 20 30 CDEDHM N#CCC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001592675579 1173965186 /nfs/dbraw/zinc/96/51/86/1173965186.db2.gz ROXYPQVRTQICKH-UHFFFAOYSA-N -1 3 299.294 1.881 20 30 CDEDHM N#CCC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001592675579 1173965190 /nfs/dbraw/zinc/96/51/90/1173965190.db2.gz ROXYPQVRTQICKH-UHFFFAOYSA-N -1 3 299.294 1.881 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H](O)C1CCC1 ZINC001592699343 1173974997 /nfs/dbraw/zinc/97/49/97/1173974997.db2.gz WMPZJNHXECQIJF-LBPRGKRZSA-N -1 3 284.323 1.311 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H](O)C1CCC1 ZINC001592699343 1173975001 /nfs/dbraw/zinc/97/50/01/1173975001.db2.gz WMPZJNHXECQIJF-LBPRGKRZSA-N -1 3 284.323 1.311 20 30 CDEDHM N#Cc1nc(N)n(C[C@@H]2CC3CCC2CC3)c1-c1nnn[n-]1 ZINC001592706051 1173977629 /nfs/dbraw/zinc/97/76/29/1173977629.db2.gz MQYCLWRYKKOFDL-RTBKNWGFSA-N -1 3 298.354 1.343 20 30 CDEDHM N#Cc1nc(N)n(C[C@@H]2CC3CCC2CC3)c1-c1nn[n-]n1 ZINC001592706051 1173977634 /nfs/dbraw/zinc/97/76/34/1173977634.db2.gz MQYCLWRYKKOFDL-RTBKNWGFSA-N -1 3 298.354 1.343 20 30 CDEDHM N#Cc1ncn(Cc2cnc(Cl)s2)c1-c1nnn[n-]1 ZINC001592710099 1173979727 /nfs/dbraw/zinc/97/97/27/1173979727.db2.gz ROWSTUXQYXIGRR-UHFFFAOYSA-N -1 3 292.715 1.093 20 30 CDEDHM N#Cc1ncn(CCCCCn2cccn2)c1-c1nnn[n-]1 ZINC001592709560 1173980343 /nfs/dbraw/zinc/98/03/43/1173980343.db2.gz JMYSQSXARCPVTO-UHFFFAOYSA-N -1 3 297.326 1.002 20 30 CDEDHM Nc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001592758947 1173986362 /nfs/dbraw/zinc/98/63/62/1173986362.db2.gz FGYVJPCQGNTVQX-LREOWRDNSA-N -1 3 292.302 1.740 20 30 CDEDHM Nc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001592758947 1173986370 /nfs/dbraw/zinc/98/63/70/1173986370.db2.gz FGYVJPCQGNTVQX-LREOWRDNSA-N -1 3 292.302 1.740 20 30 CDEDHM N#Cc1cccc(CN[C@@]2(CC(=O)[O-])CCCOC2)n1 ZINC001601123185 1174751420 /nfs/dbraw/zinc/75/14/20/1174751420.db2.gz NESCMOCERAFXPU-CQSZACIVSA-N -1 3 275.308 1.067 20 30 CDEDHM C#CCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001602713878 1175371057 /nfs/dbraw/zinc/37/10/57/1175371057.db2.gz BIFWAHGFNPTJEL-UHFFFAOYSA-N -1 3 282.307 1.496 20 30 CDEDHM C#CCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001602713878 1175371063 /nfs/dbraw/zinc/37/10/63/1175371063.db2.gz BIFWAHGFNPTJEL-UHFFFAOYSA-N -1 3 282.307 1.496 20 30 CDEDHM C#CCN(C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1)C(C)C ZINC001602714053 1175372005 /nfs/dbraw/zinc/37/20/05/1175372005.db2.gz 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CDEDHM C=C[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819729845 606798309 /nfs/dbraw/zinc/79/83/09/606798309.db2.gz NMFPEAQBZJRLRU-UWVGGRQHSA-N -1 3 286.339 1.801 20 30 CDEDHM C=C[C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819729845 606798310 /nfs/dbraw/zinc/79/83/10/606798310.db2.gz NMFPEAQBZJRLRU-UWVGGRQHSA-N -1 3 286.339 1.801 20 30 CDEDHM C=C[C@H](C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000819729086 606800244 /nfs/dbraw/zinc/80/02/44/606800244.db2.gz BROYJOVVJRVXNL-VIFPVBQESA-N -1 3 272.312 1.240 20 30 CDEDHM C=C[C@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000819729086 606800245 /nfs/dbraw/zinc/80/02/45/606800245.db2.gz BROYJOVVJRVXNL-VIFPVBQESA-N -1 3 272.312 1.240 20 30 CDEDHM C=C[C@@H](C)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819730181 606800340 /nfs/dbraw/zinc/80/03/40/606800340.db2.gz RRHYXGPVUVRSII-SNVBAGLBSA-N -1 3 286.339 1.583 20 30 CDEDHM C=C[C@@H](C)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819730181 606800342 /nfs/dbraw/zinc/80/03/42/606800342.db2.gz RRHYXGPVUVRSII-SNVBAGLBSA-N -1 3 286.339 1.583 20 30 CDEDHM C=CCC(C)(C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001602808273 1175411023 /nfs/dbraw/zinc/41/10/23/1175411023.db2.gz AMQNPHSFBPYCOY-UHFFFAOYSA-N -1 3 274.328 1.527 20 30 CDEDHM C=CCC(C)(C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001602808273 1175411028 /nfs/dbraw/zinc/41/10/28/1175411028.db2.gz AMQNPHSFBPYCOY-UHFFFAOYSA-N -1 3 274.328 1.527 20 30 CDEDHM C=CCCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000823888567 607946762 /nfs/dbraw/zinc/94/67/62/607946762.db2.gz QNXSUTLWWTXFEG-UHFFFAOYSA-N -1 3 269.308 1.722 20 30 CDEDHM C=CCCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000823888567 607946763 /nfs/dbraw/zinc/94/67/63/607946763.db2.gz QNXSUTLWWTXFEG-UHFFFAOYSA-N -1 3 269.308 1.722 20 30 CDEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCC2CC2)n1 ZINC000826350443 608539461 /nfs/dbraw/zinc/53/94/61/608539461.db2.gz WLUPLKJNKQRNGX-UHFFFAOYSA-N -1 3 263.692 1.723 20 30 CDEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCC2CC2)n1 ZINC000826350443 608539463 /nfs/dbraw/zinc/53/94/63/608539463.db2.gz WLUPLKJNKQRNGX-UHFFFAOYSA-N -1 3 263.692 1.723 20 30 CDEDHM CC#CCNc1cc(-c2nn[n-]n2)ccc1NCC ZINC000823942525 609177348 /nfs/dbraw/zinc/17/73/48/609177348.db2.gz FFJRPMHKIUWUFN-UHFFFAOYSA-N -1 3 256.313 1.734 20 30 CDEDHM C=CCOCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000823932102 609574297 /nfs/dbraw/zinc/57/42/97/609574297.db2.gz ONJLBLKWIRSCNK-UHFFFAOYSA-N -1 3 263.276 1.620 20 30 CDEDHM C=CCOCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000823932102 609574298 /nfs/dbraw/zinc/57/42/98/609574298.db2.gz ONJLBLKWIRSCNK-UHFFFAOYSA-N -1 3 263.276 1.620 20 30 CDEDHM C=CCN1CCCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC000981729431 613683361 /nfs/dbraw/zinc/68/33/61/613683361.db2.gz BVHQDYRVQWNEOX-UHFFFAOYSA-N -1 3 287.363 1.511 20 30 CDEDHM C=CCOC[C@H](NCc1cncc(OC)c1C)C(=O)[O-] ZINC000901811161 618265513 /nfs/dbraw/zinc/26/55/13/618265513.db2.gz PZTXSOQBUPQAJT-LBPRGKRZSA-N -1 3 280.324 1.144 20 30 CDEDHM C#C[C@@H](CCC)NC(=O)c1nnc2ccccc2c1[O-] ZINC000791745313 618378849 /nfs/dbraw/zinc/37/88/49/618378849.db2.gz OKBGCKHASSYDHU-JTQLQIEISA-N -1 3 269.304 1.867 20 30 CDEDHM N#CCc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826382511 618591249 /nfs/dbraw/zinc/59/12/49/618591249.db2.gz HVGZGUBXIJAGRD-UHFFFAOYSA-N -1 3 293.290 1.513 20 30 CDEDHM N#CCc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826382511 618591256 /nfs/dbraw/zinc/59/12/56/618591256.db2.gz HVGZGUBXIJAGRD-UHFFFAOYSA-N -1 3 293.290 1.513 20 30 CDEDHM O=C1[C@H](NCc2ccc(F)cc2Cl)CCCN1[O-] ZINC000895160580 619378623 /nfs/dbraw/zinc/37/86/23/619378623.db2.gz BCBVPEQMWFZEKM-LLVKDONJSA-N -1 3 272.707 1.949 20 30 CDEDHM O=C1[C@H](NCc2ccccc2[N+](=O)[O-])CCCN1[O-] ZINC000895165377 619392910 /nfs/dbraw/zinc/39/29/10/619392910.db2.gz KBUARCCKVIPAOD-SNVBAGLBSA-N -1 3 265.269 1.065 20 30 CDEDHM O=C1[C@@H](NCc2cnc(-c3ccccc3)nc2)CCCN1[O-] ZINC000895167252 619397899 /nfs/dbraw/zinc/39/78/99/619397899.db2.gz WEOASPQBOKOFDV-AWEZNQCLSA-N -1 3 298.346 1.613 20 30 CDEDHM C[C@H]1CC(=NC(=O)c2cc([C@@H]3CCCN3C)n[n-]2)NO1 ZINC000897252678 620445178 /nfs/dbraw/zinc/44/51/78/620445178.db2.gz IQZBNXHVCOUGOA-KWQFWETISA-N -1 3 277.328 1.029 20 30 CDEDHM C#CC1(O)CN(Cc2cc(Br)ccc2[O-])C1 ZINC000898143861 621339612 /nfs/dbraw/zinc/33/96/12/621339612.db2.gz LACGJHMDFKDLRV-UHFFFAOYSA-N -1 3 282.137 1.335 20 30 CDEDHM O=C([C@@H]1CCNC(=O)C1)N([O-])Cc1ccccc1Cl ZINC000904191079 626215783 /nfs/dbraw/zinc/21/57/83/626215783.db2.gz SMQXQHQGTHNRPP-SECBINFHSA-N -1 3 282.727 1.584 20 30 CDEDHM CCCCN([O-])C(=O)Cc1cc(OC)c(O)c(OC)c1 ZINC000904212597 626226606 /nfs/dbraw/zinc/22/66/06/626226606.db2.gz IGXCBBVPDVZUHB-UHFFFAOYSA-N -1 3 283.324 1.970 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000904213145 626227033 /nfs/dbraw/zinc/22/70/33/626227033.db2.gz LRUNBZHOMXSIAR-VIFPVBQESA-N -1 3 268.279 1.889 20 30 CDEDHM CCCCN([O-])C(=O)C1CCN(CC(F)F)CC1 ZINC000904213322 626227114 /nfs/dbraw/zinc/22/71/14/626227114.db2.gz OMVIBZIPEDFFEV-UHFFFAOYSA-N -1 3 264.316 1.981 20 30 CDEDHM CO[C@@H](C[N-]S(=O)(=O)CC(C)(C)C#N)C(F)(F)F ZINC000914110419 631035829 /nfs/dbraw/zinc/03/58/29/631035829.db2.gz HIGVJSUZDFTOAF-ZETCQYMHSA-N -1 3 288.291 1.033 20 30 CDEDHM C=CCNC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001602862753 1175437761 /nfs/dbraw/zinc/43/77/61/1175437761.db2.gz HQAMSLJGPRKGNF-UHFFFAOYSA-N -1 3 278.341 1.256 20 30 CDEDHM C=CCNC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001602862753 1175437766 /nfs/dbraw/zinc/43/77/66/1175437766.db2.gz HQAMSLJGPRKGNF-UHFFFAOYSA-N -1 3 278.341 1.256 20 30 CDEDHM C=CCCC[C@@H](N)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001602863635 1175438638 /nfs/dbraw/zinc/43/86/38/1175438638.db2.gz QVRYMTKYRQYZGO-CYBMUJFWSA-N -1 3 292.335 1.772 20 30 CDEDHM CCC[C@@H](O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604146488 1163104186 /nfs/dbraw/zinc/10/41/86/1163104186.db2.gz CYSZQFLLSYACKQ-SNVBAGLBSA-N -1 3 272.312 1.311 20 30 CDEDHM CCC[C@@H](O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604146488 1163104191 /nfs/dbraw/zinc/10/41/91/1163104191.db2.gz CYSZQFLLSYACKQ-SNVBAGLBSA-N -1 3 272.312 1.311 20 30 CDEDHM CC[C@H](C)NC(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000790073052 1162123866 /nfs/dbraw/zinc/12/38/66/1162123866.db2.gz DHJNIEHLOGKKOZ-VIFPVBQESA-N -1 3 276.292 1.335 20 30 CDEDHM Cn1cc(C=NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001606238073 1163824779 /nfs/dbraw/zinc/82/47/79/1163824779.db2.gz WEPLTSMAOFJQCM-UHFFFAOYSA-N -1 3 268.284 1.046 20 30 CDEDHM Cn1cc(C=NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001606238073 1163824785 /nfs/dbraw/zinc/82/47/85/1163824785.db2.gz WEPLTSMAOFJQCM-UHFFFAOYSA-N -1 3 268.284 1.046 20 30 CDEDHM N#CCCCC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001606346420 1163871527 /nfs/dbraw/zinc/87/15/27/1163871527.db2.gz QHEXIEYJXLBACA-UHFFFAOYSA-N -1 3 299.290 1.286 20 30 CDEDHM N#CCCCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001606346420 1163871530 /nfs/dbraw/zinc/87/15/30/1163871530.db2.gz QHEXIEYJXLBACA-UHFFFAOYSA-N -1 3 299.290 1.286 20 30 CDEDHM Oc1cccc(C=NCc2ccc(-c3nnn[n-]3)cn2)c1O ZINC001607110547 1164090434 /nfs/dbraw/zinc/09/04/34/1164090434.db2.gz FLCSPOLPRGRIQN-UUASQNMZSA-N -1 3 296.290 1.292 20 30 CDEDHM Oc1cccc(C=NCc2ccc(-c3nn[n-]n3)cn2)c1O ZINC001607110547 1164090442 /nfs/dbraw/zinc/09/04/42/1164090442.db2.gz FLCSPOLPRGRIQN-UUASQNMZSA-N -1 3 296.290 1.292 20 30 CDEDHM N#Cc1c(CN[C@H](CO)C2CCCC2)cccc1C(=O)[O-] ZINC001608191645 1164445121 /nfs/dbraw/zinc/44/51/21/1164445121.db2.gz YJPMLXITMNXAJJ-OAHLLOKOSA-N -1 3 288.347 1.897 20 30 CDEDHM N#Cc1c(F)cccc1CN(CC(=O)[O-])C1CCOCC1 ZINC001608193702 1164446137 /nfs/dbraw/zinc/44/61/37/1164446137.db2.gz DQKZJOIUCFVIJC-UHFFFAOYSA-N -1 3 292.310 1.763 20 30 CDEDHM N#Cc1ccc(CN[C@]2(CC(=O)[O-])CCOC2)cc1F ZINC001608207541 1164452982 /nfs/dbraw/zinc/45/29/82/1164452982.db2.gz KPQWZZBRQSOAJF-AWEZNQCLSA-N -1 3 278.283 1.421 20 30 CDEDHM N#Cc1ccnc(CN[C@@]2(CC(=O)[O-])CCCOC2)c1 ZINC001608221168 1164457673 /nfs/dbraw/zinc/45/76/73/1164457673.db2.gz VHGPQJYILCCDDS-CQSZACIVSA-N -1 3 275.308 1.067 20 30 CDEDHM N#CCNC(=O)C/N=C/c1cc(Cl)ccc1[O-] ZINC000794676896 1164535615 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CC[C@@H](CC#N)NCc1cc(-c2nn[n-]n2)cs1 ZINC001609187982 1164830616 /nfs/dbraw/zinc/83/06/16/1164830616.db2.gz VMBGCOVXAYPSCE-VIFPVBQESA-N -1 3 262.342 1.710 20 30 CDEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1(C#N)CC1 ZINC001609279403 1164880170 /nfs/dbraw/zinc/88/01/70/1164880170.db2.gz IXIHYXSWRVPMBD-UHFFFAOYSA-N -1 3 296.334 1.519 20 30 CDEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1(C#N)CC1 ZINC001609279403 1164880175 /nfs/dbraw/zinc/88/01/75/1164880175.db2.gz IXIHYXSWRVPMBD-UHFFFAOYSA-N -1 3 296.334 1.519 20 30 CDEDHM COCC#CCOc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001609315639 1164893727 /nfs/dbraw/zinc/89/37/27/1164893727.db2.gz OSPIZDGRNRGWCS-UHFFFAOYSA-N -1 3 278.699 1.549 20 30 CDEDHM COCC#CCOc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001609315639 1164893733 /nfs/dbraw/zinc/89/37/33/1164893733.db2.gz OSPIZDGRNRGWCS-UHFFFAOYSA-N -1 3 278.699 1.549 20 30 CDEDHM COc1ccc(CCC(=O)[N-]OCCO[C@H](C)C#N)cc1 ZINC000871797972 1165347096 /nfs/dbraw/zinc/34/70/96/1165347096.db2.gz LNESGLDVDQSARD-GFCCVEGCSA-N -1 3 292.335 1.604 20 30 CDEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1C#N ZINC001579430760 1172175823 /nfs/dbraw/zinc/17/58/23/1172175823.db2.gz WYVQUKLEDPNADX-RKDXNWHRSA-N -1 3 283.295 1.007 20 30 CDEDHM Cc1cc(NCC#C[C@H]2CCCCO2)ncc1-c1nnn[n-]1 ZINC001581010198 1172579628 /nfs/dbraw/zinc/57/96/28/1172579628.db2.gz GTWIYHYNFCBYBS-GFCCVEGCSA-N -1 3 298.350 1.555 20 30 CDEDHM Cc1cc(NCC#C[C@H]2CCCCO2)ncc1-c1nn[n-]n1 ZINC001581010198 1172579637 /nfs/dbraw/zinc/57/96/37/1172579637.db2.gz GTWIYHYNFCBYBS-GFCCVEGCSA-N -1 3 298.350 1.555 20 30 CDEDHM C#C[C@H](Nc1ncccc1-c1nnn[n-]1)C1CCOCC1 ZINC001588328964 1173029651 /nfs/dbraw/zinc/02/96/51/1173029651.db2.gz UXSHMTXINHCJFI-LBPRGKRZSA-N -1 3 284.323 1.102 20 30 CDEDHM C#C[C@H](Nc1ncccc1-c1nn[n-]n1)C1CCOCC1 ZINC001588328964 1173029662 /nfs/dbraw/zinc/02/96/62/1173029662.db2.gz UXSHMTXINHCJFI-LBPRGKRZSA-N -1 3 284.323 1.102 20 30 CDEDHM C#C[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588331396 1173035353 /nfs/dbraw/zinc/03/53/53/1173035353.db2.gz AKFIYQRJYNRCJB-LLVKDONJSA-N -1 3 298.306 1.767 20 30 CDEDHM C#C[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588331396 1173035361 /nfs/dbraw/zinc/03/53/61/1173035361.db2.gz AKFIYQRJYNRCJB-LLVKDONJSA-N -1 3 298.306 1.767 20 30 CDEDHM C#CCOCCCOC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588362551 1173054058 /nfs/dbraw/zinc/05/40/58/1173054058.db2.gz KJGSPONAYQOSCM-UHFFFAOYSA-N -1 3 286.291 1.063 20 30 CDEDHM C#CCOCCCOC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588362551 1173054052 /nfs/dbraw/zinc/05/40/52/1173054052.db2.gz KJGSPONAYQOSCM-UHFFFAOYSA-N -1 3 286.291 1.063 20 30 CDEDHM C(=NNC[C@@H]1CCSC1)c1ccccc1-c1nnn[n-]1 ZINC001588381486 1173057505 /nfs/dbraw/zinc/05/75/05/1173057505.db2.gz FASJTYZMFLOYNT-JTQLQIEISA-N -1 3 288.380 1.543 20 30 CDEDHM C=C(CC)Cn1ncc(C(=O)OCC)c1-c1nnn[n-]1 ZINC001588444254 1173063178 /nfs/dbraw/zinc/06/31/78/1173063178.db2.gz TUQNSRUIYJUZBZ-UHFFFAOYSA-N -1 3 276.300 1.206 20 30 CDEDHM C=C[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588527654 1173075436 /nfs/dbraw/zinc/07/54/36/1173075436.db2.gz RTFLDYHMWSUSCN-NSHDSACASA-N -1 3 284.323 1.442 20 30 CDEDHM C=C[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588527654 1173075442 /nfs/dbraw/zinc/07/54/42/1173075442.db2.gz RTFLDYHMWSUSCN-NSHDSACASA-N -1 3 284.323 1.442 20 30 CDEDHM C=CCN(CCC#N)C(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588632432 1173092876 /nfs/dbraw/zinc/09/28/76/1173092876.db2.gz YNJHLRFEUFZEMV-UHFFFAOYSA-N -1 3 296.334 1.717 20 30 CDEDHM C=CCN(CCC#N)C(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588632432 1173092884 /nfs/dbraw/zinc/09/28/84/1173092884.db2.gz YNJHLRFEUFZEMV-UHFFFAOYSA-N -1 3 296.334 1.717 20 30 CDEDHM C=CCOCCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001588682769 1173097073 /nfs/dbraw/zinc/09/70/73/1173097073.db2.gz IVJMZLRBBILCGR-UHFFFAOYSA-N -1 3 294.336 1.678 20 30 CDEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]nc1C ZINC001588780994 1173105355 /nfs/dbraw/zinc/10/53/55/1173105355.db2.gz VUDWOJGDDUWDHP-UHFFFAOYSA-N -1 3 282.311 1.734 20 30 CDEDHM C[C@@H](C#N)CNC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c21 ZINC001588934577 1173117292 /nfs/dbraw/zinc/11/72/92/1173117292.db2.gz PRPLGBXLOIEWQW-QMMMGPOBSA-N -1 3 295.306 1.237 20 30 CDEDHM C[C@@H](C#N)CNC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c21 ZINC001588934577 1173117295 /nfs/dbraw/zinc/11/72/95/1173117295.db2.gz PRPLGBXLOIEWQW-QMMMGPOBSA-N -1 3 295.306 1.237 20 30 CDEDHM CC1(C#N)CCN(c2ccc(-c3nn[n-]n3)cc2CO)CC1 ZINC001590056637 1173244433 /nfs/dbraw/zinc/24/44/33/1173244433.db2.gz OOEAMTYPZMRTGI-UHFFFAOYSA-N -1 3 298.350 1.489 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001590682565 1173490198 /nfs/dbraw/zinc/49/01/98/1173490198.db2.gz MTNSLOCJOGRXNQ-VIFPVBQESA-N -1 3 299.338 1.192 20 30 CDEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001590682565 1173490202 /nfs/dbraw/zinc/49/02/02/1173490202.db2.gz MTNSLOCJOGRXNQ-VIFPVBQESA-N -1 3 299.338 1.192 20 30 CDEDHM COc1nccnc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001591669441 1173679027 /nfs/dbraw/zinc/67/90/27/1173679027.db2.gz GAJPVPYXGIJQKN-UHFFFAOYSA-N -1 3 296.294 1.111 20 30 CDEDHM COc1nccnc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001591669441 1173679032 /nfs/dbraw/zinc/67/90/32/1173679032.db2.gz GAJPVPYXGIJQKN-UHFFFAOYSA-N -1 3 296.294 1.111 20 30 CDEDHM Cc1ccc(C(=O)O[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001592132200 1173807246 /nfs/dbraw/zinc/80/72/46/1173807246.db2.gz AHZRRQUBPHRCQH-MRVPVSSYSA-N -1 3 257.253 1.244 20 30 CDEDHM Cc1ccc(C(=O)O[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC001592132200 1173807248 /nfs/dbraw/zinc/80/72/48/1173807248.db2.gz AHZRRQUBPHRCQH-MRVPVSSYSA-N -1 3 257.253 1.244 20 30 CDEDHM Cc1ccc(C(=O)Nc2c[nH]nc2C#N)cc1-c1nnn[n-]1 ZINC001592130564 1173809557 /nfs/dbraw/zinc/80/95/57/1173809557.db2.gz NUJBDBLXGONHPH-UHFFFAOYSA-N -1 3 294.278 1.022 20 30 CDEDHM Cc1ccc(C(=O)Nc2c[nH]nc2C#N)cc1-c1nn[n-]n1 ZINC001592130564 1173809562 /nfs/dbraw/zinc/80/95/62/1173809562.db2.gz NUJBDBLXGONHPH-UHFFFAOYSA-N -1 3 294.278 1.022 20 30 CDEDHM N#CCCCNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001592676474 1173964936 /nfs/dbraw/zinc/96/49/36/1173964936.db2.gz REFAKKLOEOBSQN-UHFFFAOYSA-N -1 3 290.714 1.554 20 30 CDEDHM N#CCCCNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001592676474 1173964941 /nfs/dbraw/zinc/96/49/41/1173964941.db2.gz REFAKKLOEOBSQN-UHFFFAOYSA-N -1 3 290.714 1.554 20 30 CDEDHM N#CCCN[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592678104 1173969442 /nfs/dbraw/zinc/96/94/42/1173969442.db2.gz MYPCWJUYXGHGMC-ZDUSSCGKSA-N -1 3 268.324 1.747 20 30 CDEDHM N#CCN(Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC001592677160 1173969584 /nfs/dbraw/zinc/96/95/84/1173969584.db2.gz CEISFZNAMBUURI-UHFFFAOYSA-N -1 3 254.297 1.355 20 30 CDEDHM N#CCN(Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC001592677160 1173969580 /nfs/dbraw/zinc/96/95/80/1173969580.db2.gz CEISFZNAMBUURI-UHFFFAOYSA-N -1 3 254.297 1.355 20 30 CDEDHM N#Cc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ncn1 ZINC001592690328 1173971041 /nfs/dbraw/zinc/97/10/41/1173971041.db2.gz WFBGWPCTLNCTEY-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)ncn1 ZINC001592690328 1173971045 /nfs/dbraw/zinc/97/10/45/1173971045.db2.gz WFBGWPCTLNCTEY-UHFFFAOYSA-N -1 3 296.269 1.280 20 30 CDEDHM N#Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)co1 ZINC001592688020 1173972872 /nfs/dbraw/zinc/97/28/72/1173972872.db2.gz SVAGYFRNGDMEKF-UHFFFAOYSA-N -1 3 298.237 1.723 20 30 CDEDHM N#Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)co1 ZINC001592688020 1173972879 /nfs/dbraw/zinc/97/28/79/1173972879.db2.gz SVAGYFRNGDMEKF-UHFFFAOYSA-N -1 3 298.237 1.723 20 30 CDEDHM N#Cc1ccc(Sc2nnccc2-c2nnn[n-]2)cc1 ZINC001592697760 1173974475 /nfs/dbraw/zinc/97/44/75/1173974475.db2.gz QTFRSTAULXGDQF-UHFFFAOYSA-N -1 3 281.304 1.680 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1(O)CCCC1 ZINC001592698590 1173976305 /nfs/dbraw/zinc/97/63/05/1173976305.db2.gz DIOKMKNLWFDOQW-UHFFFAOYSA-N -1 3 284.323 1.455 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1(O)CCCC1 ZINC001592698590 1173976311 /nfs/dbraw/zinc/97/63/11/1173976311.db2.gz DIOKMKNLWFDOQW-UHFFFAOYSA-N -1 3 284.323 1.455 20 30 CDEDHM C#C[C@H](CCC)NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602688356 1175352936 /nfs/dbraw/zinc/35/29/36/1175352936.db2.gz INSJXBYAHOQRAH-SNVBAGLBSA-N -1 3 287.298 1.538 20 30 CDEDHM C#C[C@H](CCC)NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001602688356 1175352942 /nfs/dbraw/zinc/35/29/42/1175352942.db2.gz INSJXBYAHOQRAH-SNVBAGLBSA-N -1 3 287.298 1.538 20 30 CDEDHM C#C[C@@H](C)N(C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602690047 1175354039 /nfs/dbraw/zinc/35/40/39/1175354039.db2.gz QAKZCJKPQQUIIY-SECBINFHSA-N -1 3 286.295 1.228 20 30 CDEDHM C#C[C@@H](C)N(C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602690047 1175354049 /nfs/dbraw/zinc/35/40/49/1175354049.db2.gz QAKZCJKPQQUIIY-SECBINFHSA-N -1 3 286.295 1.228 20 30 CDEDHM C#CCn1cc(CNc2cc(F)ccc2-c2nnn[n-]2)cn1 ZINC001602732969 1175376966 /nfs/dbraw/zinc/37/69/66/1175376966.db2.gz MCIYGEDSPYKNIE-UHFFFAOYSA-N -1 3 297.297 1.448 20 30 CDEDHM C#CCn1cc(CNc2cc(F)ccc2-c2nn[n-]n2)cn1 ZINC001602732969 1175376968 /nfs/dbraw/zinc/37/69/68/1175376968.db2.gz MCIYGEDSPYKNIE-UHFFFAOYSA-N -1 3 297.297 1.448 20 30 CDEDHM C#Cc1ccc(CNc2ncncc2-c2nnn[n-]2)cc1 ZINC001602741605 1175380147 /nfs/dbraw/zinc/38/01/47/1175380147.db2.gz QHMZUNPZNHJUJS-UHFFFAOYSA-N -1 3 277.291 1.250 20 30 CDEDHM C/C(=C/CN1CCC2(CC1)CC(=O)C=CO2)C(=O)[O-] ZINC001602962056 1175460817 /nfs/dbraw/zinc/46/08/17/1175460817.db2.gz DSZUMCKONCRAEC-FUQNDXKWSA-N -1 3 265.309 1.355 20 30 CDEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N(C)C[C@@H](C)C#N)c1 ZINC001602966759 1175464554 /nfs/dbraw/zinc/46/45/54/1175464554.db2.gz LLJCYZKAMBCXON-VIFPVBQESA-N -1 3 284.323 1.665 20 30 CDEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N(C)C[C@@H](C)C#N)c1 ZINC001602966759 1175464560 /nfs/dbraw/zinc/46/45/60/1175464560.db2.gz LLJCYZKAMBCXON-VIFPVBQESA-N -1 3 284.323 1.665 20 30 CDEDHM CC1(C#N)CCN(Cc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001603736361 1175611642 /nfs/dbraw/zinc/61/16/42/1175611642.db2.gz MMFFYJCCUXEOCV-UHFFFAOYSA-N -1 3 283.339 1.387 20 30 CDEDHM C[C@@H]1C[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)[C@H](C)O1 ZINC001603860283 1175657969 /nfs/dbraw/zinc/65/79/69/1175657969.db2.gz AMYKAEGYQZKMBX-VDDIYKPWSA-N -1 3 284.323 1.716 20 30 CDEDHM C[C@@H]1C[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)[C@H](C)O1 ZINC001603860283 1175657975 /nfs/dbraw/zinc/65/79/75/1175657975.db2.gz AMYKAEGYQZKMBX-VDDIYKPWSA-N -1 3 284.323 1.716 20 30 CDEDHM C[C@@H]1C[C@H]1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001603870762 1175661080 /nfs/dbraw/zinc/66/10/80/1175661080.db2.gz KPCREWMKHJSYGG-SVRRBLITSA-N -1 3 287.352 1.464 20 30 CDEDHM C[C@@H]1C[C@H]1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001603870762 1175661084 /nfs/dbraw/zinc/66/10/84/1175661084.db2.gz KPCREWMKHJSYGG-SVRRBLITSA-N -1 3 287.352 1.464 20 30 CDEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cccnc1F ZINC000401470131 1186419613 /nfs/dbraw/zinc/41/96/13/1186419613.db2.gz YLIKFTGZSGZIPI-UHFFFAOYSA-N -1 3 277.280 1.893 20 30 CDEDHM CN1CCN(Cc2cc(C#N)cs2)C[C@@H](C(=O)[O-])C1 ZINC001606242289 1163827402 /nfs/dbraw/zinc/82/74/02/1163827402.db2.gz BSGGQSDOPHWPFW-NSHDSACASA-N -1 3 279.365 1.068 20 30 CDEDHM C[C@H]1C[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)CO1 ZINC001609156779 1164802716 /nfs/dbraw/zinc/80/27/16/1164802716.db2.gz FAOMIDBUMSYNNN-WPRPVWTQSA-N -1 3 270.296 1.328 20 30 CDEDHM CC[C@H](CC#N)NCc1cc(-c2nnn[n-]2)cs1 ZINC001609187981 1164830320 /nfs/dbraw/zinc/83/03/20/1164830320.db2.gz VMBGCOVXAYPSCE-SECBINFHSA-N -1 3 262.342 1.710 20 30 CDEDHM CC[C@H](CC#N)NCc1cc(-c2nn[n-]n2)cs1 ZINC001609187981 1164830328 /nfs/dbraw/zinc/83/03/28/1164830328.db2.gz VMBGCOVXAYPSCE-SECBINFHSA-N -1 3 262.342 1.710 20 30 CDEDHM N#CCCCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001609494483 1164976113 /nfs/dbraw/zinc/97/61/13/1164976113.db2.gz FHHZBHVDQDEBJX-UHFFFAOYSA-N -1 3 270.296 1.177 20 30 CDEDHM N#CCCCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001609494483 1164976117 /nfs/dbraw/zinc/97/61/17/1164976117.db2.gz FHHZBHVDQDEBJX-UHFFFAOYSA-N -1 3 270.296 1.177 20 30 CDEDHM Cc1cc([O-])c(C=NN2CCN(C)CC2)cc1Cl ZINC000853256220 783673145 /nfs/dbraw/zinc/67/31/45/783673145.db2.gz NTQCEDOCWPAYBD-UHFFFAOYSA-N -1 3 267.760 1.935 20 30 CDEDHM C=CCOC[C@@H](NCc1cc(Cl)ccc1[O-])C(=O)OC ZINC000796016381 783683394 /nfs/dbraw/zinc/68/33/94/783683394.db2.gz WYQWTPNMPFRAFC-GFCCVEGCSA-N -1 3 299.754 1.879 20 30 CDEDHM C#CC[C@@H](CO)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000816672805 783779659 /nfs/dbraw/zinc/77/96/59/783779659.db2.gz KZOSJCOYIXKOFU-ZDUSSCGKSA-N -1 3 269.300 1.659 20 30 CDEDHM CC(=NNC(=N)N)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814796756 783962706 /nfs/dbraw/zinc/96/27/06/783962706.db2.gz NWXJOCGTJLYGMI-UHFFFAOYSA-N -1 3 288.307 1.575 20 30 CDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(F)F ZINC000048868350 784120034 /nfs/dbraw/zinc/12/00/34/784120034.db2.gz TYERGQVDOGEMCQ-UHFFFAOYSA-N -1 3 284.262 1.604 20 30 CDEDHM C#CCCN1CCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000859003972 784164728 /nfs/dbraw/zinc/16/47/28/784164728.db2.gz ZCLQGAFGGMCXAP-UHFFFAOYSA-N -1 3 272.348 1.482 20 30 CDEDHM Cc1cccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c1C ZINC000816758468 784270151 /nfs/dbraw/zinc/27/01/51/784270151.db2.gz QCZJXFWVSJPSDP-GFCCVEGCSA-N -1 3 262.309 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ZINC001602738018 1175378368 /nfs/dbraw/zinc/37/83/68/1175378368.db2.gz FLGVJFLYNVWXOC-CQSZACIVSA-N -1 3 277.368 1.982 20 30 CDEDHM N#C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822801925 606169617 /nfs/dbraw/zinc/16/96/17/606169617.db2.gz REAFVHUFOROKRD-NSHDSACASA-N -1 3 269.264 1.326 20 30 CDEDHM N#C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822801925 606169618 /nfs/dbraw/zinc/16/96/18/606169618.db2.gz REAFVHUFOROKRD-NSHDSACASA-N -1 3 269.264 1.326 20 30 CDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCCCCC#N ZINC000822660456 606389510 /nfs/dbraw/zinc/38/95/10/606389510.db2.gz YXTKOUBPNMUKOC-UHFFFAOYSA-N -1 3 274.284 1.056 20 30 CDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCCCCC#N ZINC000822660456 606389512 /nfs/dbraw/zinc/38/95/12/606389512.db2.gz YXTKOUBPNMUKOC-UHFFFAOYSA-N -1 3 274.284 1.056 20 30 CDEDHM C[C@@H](CC#N)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820219386 606660436 /nfs/dbraw/zinc/66/04/36/606660436.db2.gz FYTQACLKJKDNMD-VIFPVBQESA-N -1 3 274.303 1.740 20 30 CDEDHM C[C@@H](CC#N)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820219386 606660437 /nfs/dbraw/zinc/66/04/37/606660437.db2.gz FYTQACLKJKDNMD-VIFPVBQESA-N -1 3 274.303 1.740 20 30 CDEDHM C=C(C)COCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000819722798 606791073 /nfs/dbraw/zinc/79/10/73/606791073.db2.gz RBENRVNBIRYION-UHFFFAOYSA-N -1 3 260.301 1.266 20 30 CDEDHM C=C(C)COCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000819722798 606791075 /nfs/dbraw/zinc/79/10/75/606791075.db2.gz RBENRVNBIRYION-UHFFFAOYSA-N -1 3 260.301 1.266 20 30 CDEDHM N#CC1(OC(=O)c2cc(-c3nnn[n-]3)cs2)CCC1 ZINC000822801416 606801413 /nfs/dbraw/zinc/80/14/13/606801413.db2.gz JBQKHRRTVINASP-UHFFFAOYSA-N -1 3 275.293 1.531 20 30 CDEDHM N#CC1(OC(=O)c2cc(-c3nn[n-]n3)cs2)CCC1 ZINC000822801416 606801415 /nfs/dbraw/zinc/80/14/15/606801415.db2.gz JBQKHRRTVINASP-UHFFFAOYSA-N -1 3 275.293 1.531 20 30 CDEDHM C=CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cn1 ZINC001602834175 1175421238 /nfs/dbraw/zinc/42/12/38/1175421238.db2.gz JJAHKSUHNWQHSU-UHFFFAOYSA-N -1 3 273.296 1.661 20 30 CDEDHM C=CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cn1 ZINC001602834175 1175421244 /nfs/dbraw/zinc/42/12/44/1175421244.db2.gz JJAHKSUHNWQHSU-UHFFFAOYSA-N -1 3 273.296 1.661 20 30 CDEDHM C=C(CC)COC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000823878144 608318201 /nfs/dbraw/zinc/31/82/01/608318201.db2.gz QTUAWUOTRVJNJM-UHFFFAOYSA-N -1 3 288.307 1.755 20 30 CDEDHM C=C(CC)COC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000823878144 608318203 /nfs/dbraw/zinc/31/82/03/608318203.db2.gz QTUAWUOTRVJNJM-UHFFFAOYSA-N -1 3 288.307 1.755 20 30 CDEDHM C=CCCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602837909 1175428529 /nfs/dbraw/zinc/42/85/29/1175428529.db2.gz JEXBEQSDFNGMFJ-UHFFFAOYSA-N -1 3 287.327 1.740 20 30 CDEDHM C=CCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602837909 1175428534 /nfs/dbraw/zinc/42/85/34/1175428534.db2.gz JEXBEQSDFNGMFJ-UHFFFAOYSA-N -1 3 287.327 1.740 20 30 CDEDHM COC[C@H](C)NN=C(C)c1cccc(-c2nnn[n-]2)c1 ZINC000826149170 609305969 /nfs/dbraw/zinc/30/59/69/609305969.db2.gz BAGZCOWPVYPJPN-VIFPVBQESA-N -1 3 274.328 1.215 20 30 CDEDHM COC[C@H](C)NN=C(C)c1cccc(-c2nn[n-]n2)c1 ZINC000826149170 609305971 /nfs/dbraw/zinc/30/59/71/609305971.db2.gz BAGZCOWPVYPJPN-VIFPVBQESA-N -1 3 274.328 1.215 20 30 CDEDHM COC[C@@H](C)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826149437 609306183 /nfs/dbraw/zinc/30/61/83/609306183.db2.gz HNNGJLHTRQKRCD-MRVPVSSYSA-N -1 3 292.318 1.354 20 30 CDEDHM COC[C@@H](C)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826149437 609306185 /nfs/dbraw/zinc/30/61/85/609306185.db2.gz HNNGJLHTRQKRCD-MRVPVSSYSA-N -1 3 292.318 1.354 20 30 CDEDHM C=CCCSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000823899080 609307750 /nfs/dbraw/zinc/30/77/50/609307750.db2.gz KPSYMEYWPOYUJT-UHFFFAOYSA-N -1 3 262.342 1.942 20 30 CDEDHM C=CCCSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000823899080 609307752 /nfs/dbraw/zinc/30/77/52/609307752.db2.gz KPSYMEYWPOYUJT-UHFFFAOYSA-N -1 3 262.342 1.942 20 30 CDEDHM CC(C)(C#N)CNc1ccc(-c2nn[n-]n2)cc1F ZINC000824058907 609389033 /nfs/dbraw/zinc/38/90/33/609389033.db2.gz IIHWFIXNDMTOFA-UHFFFAOYSA-N -1 3 260.276 1.967 20 30 CDEDHM C[C@H](C#N)CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824034797 609411675 /nfs/dbraw/zinc/41/16/75/609411675.db2.gz PHWARCHWMAVPOL-SNVBAGLBSA-N -1 3 299.338 1.168 20 30 CDEDHM C[C@H](C#N)CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824034797 609411678 /nfs/dbraw/zinc/41/16/78/609411678.db2.gz PHWARCHWMAVPOL-SNVBAGLBSA-N -1 3 299.338 1.168 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC(C)(C)C#N ZINC000826247409 609430882 /nfs/dbraw/zinc/43/08/82/609430882.db2.gz BXZPRYZXLLNQDT-UHFFFAOYSA-N -1 3 284.323 1.455 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC(C)(C)C#N ZINC000826247409 609430881 /nfs/dbraw/zinc/43/08/81/609430881.db2.gz BXZPRYZXLLNQDT-UHFFFAOYSA-N -1 3 284.323 1.455 20 30 CDEDHM N#CCc1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1 ZINC000893210830 617465152 /nfs/dbraw/zinc/46/51/52/617465152.db2.gz NMEWNCQYOGZPLA-UHFFFAOYSA-N -1 3 294.314 1.841 20 30 CDEDHM N#Cc1ccccc1N1CCN(c2cc(=O)[n-]cn2)CC1 ZINC000892245996 617576361 /nfs/dbraw/zinc/57/63/61/617576361.db2.gz KDONRSHRVJMSNK-UHFFFAOYSA-N -1 3 281.319 1.380 20 30 CDEDHM C#CCO[N-]C(=O)CCOc1ccc(Cl)c(F)c1 ZINC000855607189 617594183 /nfs/dbraw/zinc/59/41/83/617594183.db2.gz YLWKJVVELBYWQS-UHFFFAOYSA-N -1 3 271.675 1.929 20 30 CDEDHM Cc1nc(C)c(CC(=O)N2CCC[C@@H](C#N)C2)c(=O)[n-]1 ZINC000928227255 618585381 /nfs/dbraw/zinc/58/53/81/618585381.db2.gz WIQIMGMDJWFEAS-NSHDSACASA-N -1 3 274.324 1.104 20 30 CDEDHM O=C1[C@H](NCc2ccc(Br)o2)CCCN1[O-] ZINC000895159028 619375740 /nfs/dbraw/zinc/37/57/40/619375740.db2.gz BYVBJMQVSIWLFF-MRVPVSSYSA-N -1 3 289.129 1.512 20 30 CDEDHM O=C1[C@@H](NCc2ccc(Cl)nc2)CCCN1[O-] ZINC000895161442 619380797 /nfs/dbraw/zinc/38/07/97/619380797.db2.gz GQGKFIXCYVRHPO-VIFPVBQESA-N -1 3 255.705 1.205 20 30 CDEDHM O=C1[C@H](NCc2cc(F)c(F)cc2F)CCCN1[O-] ZINC000895162381 619382194 /nfs/dbraw/zinc/38/21/94/619382194.db2.gz LOXUNZZMYHFGJH-LLVKDONJSA-N -1 3 274.242 1.574 20 30 CDEDHM O=C1[C@@H](NCc2cnc([C@@H]3CCCO3)s2)CCCN1[O-] ZINC000895162891 619383516 /nfs/dbraw/zinc/38/35/16/619383516.db2.gz OXCLFCOVNFFFMT-QWRGUYRKSA-N -1 3 297.380 1.464 20 30 CDEDHM C=CC[C@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccccc1 ZINC000898739766 621858264 /nfs/dbraw/zinc/85/82/64/621858264.db2.gz MKFUCLLEOORHDR-GJZGRUSLSA-N -1 3 299.374 1.975 20 30 CDEDHM COCCn1cc(C(=O)N([O-])Cc2ccc(F)cc2)nn1 ZINC000904178087 626211442 /nfs/dbraw/zinc/21/14/42/626211442.db2.gz YNKGGHLFTLTJFP-UHFFFAOYSA-N -1 3 294.286 1.095 20 30 CDEDHM CN1CCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904178640 626211846 /nfs/dbraw/zinc/21/18/46/626211846.db2.gz PZWJPFPPAWBDJN-LBPRGKRZSA-N -1 3 252.289 1.638 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC000904212287 626226245 /nfs/dbraw/zinc/22/62/45/626226245.db2.gz CIYXRBXYANQFDA-NSHDSACASA-N -1 3 251.330 1.772 20 30 CDEDHM Cc1cnc(Cl)c(C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000908407904 628185892 /nfs/dbraw/zinc/18/58/92/628185892.db2.gz YBROTGXHPWCRST-VIFPVBQESA-N -1 3 283.715 1.153 20 30 CDEDHM CN(C)CC#CCNC(=O)c1cccc(Cl)c1[O-] ZINC000913520404 630526156 /nfs/dbraw/zinc/52/61/56/630526156.db2.gz OKZZSNDIJVASJE-UHFFFAOYSA-N -1 3 266.728 1.340 20 30 CDEDHM C#CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1 ZINC000914658767 631537908 /nfs/dbraw/zinc/53/79/08/631537908.db2.gz BXPFFFSZNHJXKR-UHFFFAOYSA-N -1 3 297.307 1.080 20 30 CDEDHM Cc1nccc(C/N=C/c2c([O-])c(C)ncc2CO)n1 ZINC000917558073 632239014 /nfs/dbraw/zinc/23/90/14/632239014.db2.gz FPWKZUWSASDSOS-VIZOYTHASA-N -1 3 272.308 1.305 20 30 CDEDHM C=CCN(CCOC)Cc1ccc(-c2nnn[n-]2)o1 ZINC001602852182 1175435096 /nfs/dbraw/zinc/43/50/96/1175435096.db2.gz LSRORGPKFHAMEF-UHFFFAOYSA-N -1 3 263.301 1.094 20 30 CDEDHM C=CCN(CCOC)Cc1ccc(-c2nn[n-]n2)o1 ZINC001602852182 1175435104 /nfs/dbraw/zinc/43/51/04/1175435104.db2.gz LSRORGPKFHAMEF-UHFFFAOYSA-N -1 3 263.301 1.094 20 30 CDEDHM COc1nc(C)ccc1C([O-])=C(C#N)c1nccn1C ZINC001650440026 1158682176 /nfs/dbraw/zinc/68/21/76/1158682176.db2.gz BZUZSYGESOECBD-NSHDSACASA-N -1 3 270.292 1.622 20 30 CDEDHM N#Cc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001170203416 1162307912 /nfs/dbraw/zinc/30/79/12/1162307912.db2.gz VKLOWMYFHKPKDS-UHFFFAOYSA-N -1 3 283.320 1.807 20 30 CDEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001170203416 1162307914 /nfs/dbraw/zinc/30/79/14/1162307914.db2.gz VKLOWMYFHKPKDS-UHFFFAOYSA-N -1 3 283.320 1.807 20 30 CDEDHM COc1ccc(-c2nnn[n-]2)cc1NCC(C)(C)S ZINC001170307028 1162339951 /nfs/dbraw/zinc/33/99/51/1162339951.db2.gz KIUADGWZQJUJCD-UHFFFAOYSA-N -1 3 279.369 1.996 20 30 CDEDHM COc1ccc(-c2nn[n-]n2)cc1NCC(C)(C)S ZINC001170307028 1162339953 /nfs/dbraw/zinc/33/99/53/1162339953.db2.gz KIUADGWZQJUJCD-UHFFFAOYSA-N -1 3 279.369 1.996 20 30 CDEDHM C=CCNC(=S)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001602866800 1175440512 /nfs/dbraw/zinc/44/05/12/1175440512.db2.gz MMZYQEHRDMBLTI-UHFFFAOYSA-N -1 3 274.353 1.648 20 30 CDEDHM C=CCNC(=S)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001602866800 1175440517 /nfs/dbraw/zinc/44/05/17/1175440517.db2.gz MMZYQEHRDMBLTI-UHFFFAOYSA-N -1 3 274.353 1.648 20 30 CDEDHM C=C(C)CNC(=S)Nc1cccc(-c2nnn[n-]2)c1 ZINC000095130902 1159344271 /nfs/dbraw/zinc/34/42/71/1159344271.db2.gz WZNUANNEEZOGCV-UHFFFAOYSA-N -1 3 274.353 1.729 20 30 CDEDHM C=C(C)CNC(=S)Nc1cccc(-c2nn[n-]n2)c1 ZINC000095130902 1159344277 /nfs/dbraw/zinc/34/42/77/1159344277.db2.gz WZNUANNEEZOGCV-UHFFFAOYSA-N -1 3 274.353 1.729 20 30 CDEDHM COC(=O)n1ncc(C#N)c1[N-]c1nc(C)nc(C)c1F ZINC001169965224 1162022198 /nfs/dbraw/zinc/02/21/98/1162022198.db2.gz OVUXCLKRNLFYSH-UHFFFAOYSA-N -1 3 290.258 1.659 20 30 CDEDHM COC(=O)c1cc2c(OC)[n-]c(N(C)[C@H](C)C#N)cc-2n1 ZINC001157488309 1162122109 /nfs/dbraw/zinc/12/21/09/1162122109.db2.gz ZGCMYMHYRRGAAU-MRVPVSSYSA-N -1 3 288.307 1.706 20 30 CDEDHM COC(=O)c1cc2c(cc(N(C)[C@H](C)C#N)nc2OC)[n-]1 ZINC001157488309 1162122113 /nfs/dbraw/zinc/12/21/13/1162122113.db2.gz ZGCMYMHYRRGAAU-MRVPVSSYSA-N -1 3 288.307 1.706 20 30 CDEDHM CCn1cc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001604604460 1163243854 /nfs/dbraw/zinc/24/38/54/1163243854.db2.gz DFOFXFGPRMPOOM-UHFFFAOYSA-N -1 3 296.338 1.919 20 30 CDEDHM CCn1cc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001604604460 1163243861 /nfs/dbraw/zinc/24/38/61/1163243861.db2.gz DFOFXFGPRMPOOM-UHFFFAOYSA-N -1 3 296.338 1.919 20 30 CDEDHM Cn1ccc(N=NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC001606253983 1163830666 /nfs/dbraw/zinc/83/06/66/1163830666.db2.gz PLFXYSVYVWMPAC-UHFFFAOYSA-N -1 3 274.313 1.108 20 30 CDEDHM N#C[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001606354644 1163876015 /nfs/dbraw/zinc/87/60/15/1163876015.db2.gz NFVQPLMAOUZBJI-WCBMZHEXSA-N -1 3 299.294 1.879 20 30 CDEDHM N#C[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001606354644 1163876017 /nfs/dbraw/zinc/87/60/17/1163876017.db2.gz NFVQPLMAOUZBJI-WCBMZHEXSA-N -1 3 299.294 1.879 20 30 CDEDHM O=C(C#Cc1cccs1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001135842213 1164182772 /nfs/dbraw/zinc/18/27/72/1164182772.db2.gz HTTSKTPIFUIKLG-UHFFFAOYSA-N -1 3 295.327 1.918 20 30 CDEDHM O=C(C#Cc1cccs1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001135842213 1164182776 /nfs/dbraw/zinc/18/27/76/1164182776.db2.gz HTTSKTPIFUIKLG-UHFFFAOYSA-N -1 3 295.327 1.918 20 30 CDEDHM C=C(COc1ccc(-c2nn[n-]n2)c(C)c1)C(=O)OCC ZINC001609052094 1164743591 /nfs/dbraw/zinc/74/35/91/1164743591.db2.gz KXLGWKWEMZVGJE-UHFFFAOYSA-N -1 3 288.307 1.673 20 30 CDEDHM C=CCN1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001609057553 1164748931 /nfs/dbraw/zinc/74/89/31/1164748931.db2.gz YYOPCNFQMWRCLS-CYBMUJFWSA-N -1 3 298.350 1.090 20 30 CDEDHM CC#CC[C@@H](CO)Nc1cc(C(C)=O)ccc1-c1nnn[n-]1 ZINC001609059655 1164751595 /nfs/dbraw/zinc/75/15/95/1164751595.db2.gz CENSDPYJHZTUKI-LBPRGKRZSA-N -1 3 299.334 1.256 20 30 CDEDHM CC#CC[C@@H](CO)Nc1cc(C(C)=O)ccc1-c1nn[n-]n1 ZINC001609059655 1164751602 /nfs/dbraw/zinc/75/16/02/1164751602.db2.gz CENSDPYJHZTUKI-LBPRGKRZSA-N -1 3 299.334 1.256 20 30 CDEDHM CC(C)COC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609096420 1164768773 /nfs/dbraw/zinc/76/87/73/1164768773.db2.gz AHNAJLLNQNUEHX-ZDUSSCGKSA-N -1 3 299.334 1.748 20 30 CDEDHM CC(C)COC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609096420 1164768777 /nfs/dbraw/zinc/76/87/77/1164768777.db2.gz AHNAJLLNQNUEHX-ZDUSSCGKSA-N -1 3 299.334 1.748 20 30 CDEDHM CC[C@H](C#N)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001609182020 1164824097 /nfs/dbraw/zinc/82/40/97/1164824097.db2.gz LLJOWAYTEZFOHK-SSDOTTSWSA-N -1 3 286.324 1.110 20 30 CDEDHM CC[C@H](C#N)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001609182020 1164824102 /nfs/dbraw/zinc/82/41/02/1164824102.db2.gz LLJOWAYTEZFOHK-SSDOTTSWSA-N -1 3 286.324 1.110 20 30 CDEDHM CCC(CC)NN=C1c2ccc(-c3nnn[n-]3)cc2NC1=O ZINC001609189600 1164831569 /nfs/dbraw/zinc/83/15/69/1164831569.db2.gz NYDXIWRYFDGQJJ-UHFFFAOYSA-N -1 3 299.338 1.301 20 30 CDEDHM CCC(CC)NN=C1c2ccc(-c3nn[n-]n3)cc2NC1=O ZINC001609189600 1164831574 /nfs/dbraw/zinc/83/15/74/1164831574.db2.gz NYDXIWRYFDGQJJ-UHFFFAOYSA-N -1 3 299.338 1.301 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1CN(C)C[C@@H](C)C#N ZINC001609388255 1164921550 /nfs/dbraw/zinc/92/15/50/1164921550.db2.gz TZJPDVNUNKHVHS-JTQLQIEISA-N -1 3 270.340 1.767 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1CN(C)C[C@@H](C)C#N ZINC001609388255 1164921553 /nfs/dbraw/zinc/92/15/53/1164921553.db2.gz TZJPDVNUNKHVHS-JTQLQIEISA-N -1 3 270.340 1.767 20 30 CDEDHM Cc1cc(CN2CC[C@](F)(C#N)C2)ccc1-c1nnn[n-]1 ZINC001609400579 1164928111 /nfs/dbraw/zinc/92/81/11/1164928111.db2.gz WRAZLVLKGJYVSL-AWEZNQCLSA-N -1 3 286.314 1.613 20 30 CDEDHM Cc1cc(CN2CC[C@](F)(C#N)C2)ccc1-c1nn[n-]n1 ZINC001609400579 1164928117 /nfs/dbraw/zinc/92/81/17/1164928117.db2.gz WRAZLVLKGJYVSL-AWEZNQCLSA-N -1 3 286.314 1.613 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609482526 1164966427 /nfs/dbraw/zinc/96/64/27/1164966427.db2.gz GWVAPSCDRHTDTI-VOTSOKGWSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1nccc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609482526 1164966434 /nfs/dbraw/zinc/96/64/34/1164966434.db2.gz GWVAPSCDRHTDTI-VOTSOKGWSA-N -1 3 280.291 1.496 20 30 CDEDHM FC(F)C1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001609485062 1164971311 /nfs/dbraw/zinc/97/13/11/1164971311.db2.gz AVGZEIOLLLEDJC-UHFFFAOYSA-N -1 3 292.293 1.987 20 30 CDEDHM FC(F)C1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609485062 1164971321 /nfs/dbraw/zinc/97/13/21/1164971321.db2.gz AVGZEIOLLLEDJC-UHFFFAOYSA-N -1 3 292.293 1.987 20 30 CDEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1CC1 ZINC001609493341 1164975239 /nfs/dbraw/zinc/97/52/39/1164975239.db2.gz MAORIQZBSGNDTL-ZDUSSCGKSA-N -1 3 297.318 1.502 20 30 CDEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1CC1 ZINC001609493341 1164975245 /nfs/dbraw/zinc/97/52/45/1164975245.db2.gz MAORIQZBSGNDTL-ZDUSSCGKSA-N -1 3 297.318 1.502 20 30 CDEDHM N#Cc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001609500223 1164977497 /nfs/dbraw/zinc/97/74/97/1164977497.db2.gz IXLLAKDIQLMISH-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM N#Cc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001609500223 1164977503 /nfs/dbraw/zinc/97/75/03/1164977503.db2.gz IXLLAKDIQLMISH-UHFFFAOYSA-N -1 3 290.286 1.991 20 30 CDEDHM N#Cc1cccc(CNCc2c[nH]c(C(=O)[O-])c2)c1 ZINC001610631222 1165386221 /nfs/dbraw/zinc/38/62/21/1165386221.db2.gz SXTHNBFZDHYARJ-UHFFFAOYSA-N -1 3 255.277 1.874 20 30 CDEDHM N#Cc1ccnnc1NC(=O)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155176384 1167101211 /nfs/dbraw/zinc/10/12/11/1167101211.db2.gz BNDDXGUWNIRLQW-UHFFFAOYSA-N -1 3 299.681 1.525 20 30 CDEDHM C#C[C@H](C)N(C)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001588325656 1173025808 /nfs/dbraw/zinc/02/58/08/1173025808.db2.gz SAPSZSVCMJYGQL-JTQLQIEISA-N -1 3 278.319 1.873 20 30 CDEDHM C#C[C@H](C)N(C)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001588325656 1173025816 /nfs/dbraw/zinc/02/58/16/1173025816.db2.gz SAPSZSVCMJYGQL-JTQLQIEISA-N -1 3 278.319 1.873 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588325267 1173025947 /nfs/dbraw/zinc/02/59/47/1173025947.db2.gz INAQMTAXMWWTKK-LLVKDONJSA-N -1 3 283.335 1.577 20 30 CDEDHM C#C[C@@H](C)N(C)C(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588325267 1173025952 /nfs/dbraw/zinc/02/59/52/1173025952.db2.gz INAQMTAXMWWTKK-LLVKDONJSA-N -1 3 283.335 1.577 20 30 CDEDHM C#C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001588328238 1173031164 /nfs/dbraw/zinc/03/11/64/1173031164.db2.gz BOSADLUFRXCEMS-JQWIXIFHSA-N -1 3 287.298 1.599 20 30 CDEDHM C#C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001588328238 1173031175 /nfs/dbraw/zinc/03/11/75/1173031175.db2.gz BOSADLUFRXCEMS-JQWIXIFHSA-N -1 3 287.298 1.599 20 30 CDEDHM C#CCOCCCOC(=O)c1sccc1-c1nnn[n-]1 ZINC001588362704 1173054952 /nfs/dbraw/zinc/05/49/52/1173054952.db2.gz RBLLRZNDIOGENN-UHFFFAOYSA-N -1 3 292.320 1.125 20 30 CDEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCOC1 ZINC001588381542 1173055328 /nfs/dbraw/zinc/05/53/28/1173055328.db2.gz HFMLJUUUQLZMNN-LBPRGKRZSA-N -1 3 286.339 1.369 20 30 CDEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC001588381542 1173055332 /nfs/dbraw/zinc/05/53/32/1173055332.db2.gz HFMLJUUUQLZMNN-LBPRGKRZSA-N -1 3 286.339 1.369 20 30 CDEDHM C=C(Cl)COC(=O)c1sccc1-c1nnn[n-]1 ZINC001588447816 1173062778 /nfs/dbraw/zinc/06/27/78/1173062778.db2.gz LHKYDGJNNHCGQJ-UHFFFAOYSA-N -1 3 270.701 1.838 20 30 CDEDHM C=CC(C)(C)CNC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588488700 1173070553 /nfs/dbraw/zinc/07/05/53/1173070553.db2.gz NCZQMMAJKJPXRG-UHFFFAOYSA-N -1 3 277.353 1.870 20 30 CDEDHM C=CCCONC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588618162 1173088319 /nfs/dbraw/zinc/08/83/19/1173088319.db2.gz WMOKLPJSAQOAMW-UHFFFAOYSA-N -1 3 259.269 1.104 20 30 CDEDHM C=CCCONC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588618162 1173088323 /nfs/dbraw/zinc/08/83/23/1173088323.db2.gz WMOKLPJSAQOAMW-UHFFFAOYSA-N -1 3 259.269 1.104 20 30 CDEDHM C=CCOCC(=O)Oc1ccc(-c2nnn[n-]2)cc1CC ZINC001588681195 1173097437 /nfs/dbraw/zinc/09/74/37/1173097437.db2.gz KQAALHSUCMLTIP-UHFFFAOYSA-N -1 3 288.307 1.537 20 30 CDEDHM C=CCOCC(=O)Oc1ccc(-c2nn[n-]n2)cc1CC ZINC001588681195 1173097440 /nfs/dbraw/zinc/09/74/40/1173097440.db2.gz KQAALHSUCMLTIP-UHFFFAOYSA-N -1 3 288.307 1.537 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588725934 1173098613 /nfs/dbraw/zinc/09/86/13/1173098613.db2.gz OOVXCBAQJLRIKH-STQMWFEESA-N -1 3 299.334 1.188 20 30 CDEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588725934 1173098620 /nfs/dbraw/zinc/09/86/20/1173098620.db2.gz OOVXCBAQJLRIKH-STQMWFEESA-N -1 3 299.334 1.188 20 30 CDEDHM CC#CC[C@H](CO)Nc1cccc(Cl)c1-c1nnn[n-]1 ZINC001588738093 1173102267 /nfs/dbraw/zinc/10/22/67/1173102267.db2.gz KOGATPFVWJJMQK-SECBINFHSA-N -1 3 291.742 1.706 20 30 CDEDHM CC#CC[C@H](CO)Nc1cccc(Cl)c1-c1nn[n-]n1 ZINC001588738093 1173102273 /nfs/dbraw/zinc/10/22/73/1173102273.db2.gz KOGATPFVWJJMQK-SECBINFHSA-N -1 3 291.742 1.706 20 30 CDEDHM CC#CC[C@@H](CO)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001588737410 1173102327 /nfs/dbraw/zinc/10/23/27/1173102327.db2.gz DPEBRXKHFSWDOS-VIFPVBQESA-N -1 3 293.277 1.331 20 30 CDEDHM CC#CC[C@@H](CO)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001588737410 1173102331 /nfs/dbraw/zinc/10/23/31/1173102331.db2.gz DPEBRXKHFSWDOS-VIFPVBQESA-N -1 3 293.277 1.331 20 30 CDEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCC(C#N)CC2)c1 ZINC001588902769 1173112251 /nfs/dbraw/zinc/11/22/51/1173112251.db2.gz YGLGXIRENGZAAP-UHFFFAOYSA-N -1 3 296.334 1.809 20 30 CDEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCC(C#N)CC2)c1 ZINC001588902769 1173112257 /nfs/dbraw/zinc/11/22/57/1173112257.db2.gz YGLGXIRENGZAAP-UHFFFAOYSA-N -1 3 296.334 1.809 20 30 CDEDHM C[C@@H](C#N)CN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001588930682 1173114443 /nfs/dbraw/zinc/11/44/43/1173114443.db2.gz GAEOSBPVHGSNRX-VIFPVBQESA-N -1 3 267.296 1.334 20 30 CDEDHM C[C@@H](C#N)CN(C)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001588930682 1173114447 /nfs/dbraw/zinc/11/44/47/1173114447.db2.gz GAEOSBPVHGSNRX-VIFPVBQESA-N -1 3 267.296 1.334 20 30 CDEDHM CC1(C)C[C@]1(C#N)NC(=O)c1sccc1-c1nnn[n-]1 ZINC001590085520 1173252223 /nfs/dbraw/zinc/25/22/23/1173252223.db2.gz RJIWSMAOMUYJRK-GFCCVEGCSA-N -1 3 288.336 1.350 20 30 CDEDHM CC1(C)C[C@]1(C#N)NC(=O)c1sccc1-c1nn[n-]n1 ZINC001590085520 1173252226 /nfs/dbraw/zinc/25/22/26/1173252226.db2.gz RJIWSMAOMUYJRK-GFCCVEGCSA-N -1 3 288.336 1.350 20 30 CDEDHM C[C@H]1CCCN1c1c(C#N)cccc1-c1nnn[n-]1 ZINC001590263360 1173326015 /nfs/dbraw/zinc/32/60/15/1173326015.db2.gz CODZCXVWSYLFJC-VIFPVBQESA-N -1 3 254.297 1.727 20 30 CDEDHM C[C@H]1CCCN1c1c(C#N)cccc1-c1nn[n-]n1 ZINC001590263360 1173326023 /nfs/dbraw/zinc/32/60/23/1173326023.db2.gz CODZCXVWSYLFJC-VIFPVBQESA-N -1 3 254.297 1.727 20 30 CDEDHM CCN(CC#N)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590679607 1173488871 /nfs/dbraw/zinc/48/88/71/1173488871.db2.gz CCGQVUSGTNVGCA-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM CCN(CC#N)Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590679607 1173488872 /nfs/dbraw/zinc/48/88/72/1173488872.db2.gz CCGQVUSGTNVGCA-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM CCN(CC#N)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001590679997 1173490300 /nfs/dbraw/zinc/49/03/00/1173490300.db2.gz ROMIEQJNKQQPGP-UHFFFAOYSA-N -1 3 290.714 1.506 20 30 CDEDHM CN(CCC#N)C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001591061902 1173567966 /nfs/dbraw/zinc/56/79/66/1173567966.db2.gz IWAWTAOKXLEMSR-UHFFFAOYSA-N -1 3 296.334 1.270 20 30 CDEDHM CN(CCC#N)C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001591061902 1173567972 /nfs/dbraw/zinc/56/79/72/1173567972.db2.gz IWAWTAOKXLEMSR-UHFFFAOYSA-N -1 3 296.334 1.270 20 30 CDEDHM CO[C@H]1CC[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591349811 1173623004 /nfs/dbraw/zinc/62/30/04/1173623004.db2.gz CDCGWDNPUSXHAA-QWRGUYRKSA-N -1 3 284.323 1.718 20 30 CDEDHM CO[C@H]1CC[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591349811 1173623010 /nfs/dbraw/zinc/62/30/10/1173623010.db2.gz CDCGWDNPUSXHAA-QWRGUYRKSA-N -1 3 284.323 1.718 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)OCC1(C#N)CC1 ZINC001591485125 1173661645 /nfs/dbraw/zinc/66/16/45/1173661645.db2.gz YBXUGZJJTZLFBW-UHFFFAOYSA-N -1 3 299.290 1.336 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)OCC1(C#N)CC1 ZINC001591485125 1173661649 /nfs/dbraw/zinc/66/16/49/1173661649.db2.gz YBXUGZJJTZLFBW-UHFFFAOYSA-N -1 3 299.290 1.336 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1CN[C@@H](C)CC#N ZINC001591866917 1173727099 /nfs/dbraw/zinc/72/70/99/1173727099.db2.gz 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274.328 1.669 20 30 CDEDHM C=CCCC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823888770 608056866 /nfs/dbraw/zinc/05/68/66/608056866.db2.gz WBSPLZSYLVXVPA-UHFFFAOYSA-N -1 3 286.291 1.559 20 30 CDEDHM C=CCCC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823888770 608056867 /nfs/dbraw/zinc/05/68/67/608056867.db2.gz WBSPLZSYLVXVPA-UHFFFAOYSA-N -1 3 286.291 1.559 20 30 CDEDHM C=CC[C@@H](CO)CNCc1ccc(/C=C\C(=O)[O-])o1 ZINC001602842122 1175429160 /nfs/dbraw/zinc/42/91/60/1175429160.db2.gz CYLGDKXNMIYJLG-JMEBYUIHSA-N -1 3 265.309 1.652 20 30 CDEDHM C=CC[C@@H](CO)CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000823887929 608411065 /nfs/dbraw/zinc/41/10/65/608411065.db2.gz BANLDCPWBBXODA-SECBINFHSA-N -1 3 277.303 1.602 20 30 CDEDHM C=CC[C@@H](CO)CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000823887929 608411067 /nfs/dbraw/zinc/41/10/67/608411067.db2.gz BANLDCPWBBXODA-SECBINFHSA-N -1 3 277.303 1.602 20 30 CDEDHM C=C(C)CN(C)c1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000823877834 609317531 /nfs/dbraw/zinc/31/75/31/609317531.db2.gz 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CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609092507 1164767534 /nfs/dbraw/zinc/76/75/34/1164767534.db2.gz NWTUVMDYVGPRAH-HNNXBMFYSA-N -1 3 298.350 1.925 20 30 CDEDHM C[C@@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)CCC#N ZINC001609108266 1164772735 /nfs/dbraw/zinc/77/27/35/1164772735.db2.gz HWRAVYNRXXTXHS-LLVKDONJSA-N -1 3 283.339 1.882 20 30 CDEDHM C[C@@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)CCC#N ZINC001609108266 1164772742 /nfs/dbraw/zinc/77/27/42/1164772742.db2.gz HWRAVYNRXXTXHS-LLVKDONJSA-N -1 3 283.339 1.882 20 30 CDEDHM C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001609226229 1164857200 /nfs/dbraw/zinc/85/72/00/1164857200.db2.gz IYUIRQDLYAUGCX-BXUZGUMPSA-N -1 3 279.336 1.738 20 30 CDEDHM CCn1cc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001609257514 1164866324 /nfs/dbraw/zinc/86/63/24/1164866324.db2.gz AMLUPLVVACHXSK-SREVYHEPSA-N -1 3 294.318 1.979 20 30 CDEDHM CCn1cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001609257514 1164866328 /nfs/dbraw/zinc/86/63/28/1164866328.db2.gz AMLUPLVVACHXSK-SREVYHEPSA-N -1 3 294.318 1.979 20 30 CDEDHM N#C[C@@H]1CN(c2cccc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001609495106 1164976976 /nfs/dbraw/zinc/97/69/76/1164976976.db2.gz WPIHNSLKBSMGOJ-MRVPVSSYSA-N -1 3 290.714 1.249 20 30 CDEDHM N#C[C@@H]1CN(c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001609495106 1164976983 /nfs/dbraw/zinc/97/69/83/1164976983.db2.gz WPIHNSLKBSMGOJ-MRVPVSSYSA-N -1 3 290.714 1.249 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCC[C@H](O)C1 ZINC001609499642 1164978371 /nfs/dbraw/zinc/97/83/71/1164978371.db2.gz CEVBAPVBCRKKDR-PWSUYJOCSA-N -1 3 298.350 1.701 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCC[C@H](O)C1 ZINC001609499642 1164978375 /nfs/dbraw/zinc/97/83/75/1164978375.db2.gz CEVBAPVBCRKKDR-PWSUYJOCSA-N -1 3 298.350 1.701 20 30 CDEDHM C#CC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588325085 1173024089 /nfs/dbraw/zinc/02/40/89/1173024089.db2.gz FUCARGBCRIYELD-UHFFFAOYSA-N -1 3 273.271 1.147 20 30 CDEDHM C#CC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588325085 1173024083 /nfs/dbraw/zinc/02/40/83/1173024083.db2.gz FUCARGBCRIYELD-UHFFFAOYSA-N -1 3 273.271 1.147 20 30 CDEDHM C#C[C@@H](C)N(C)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001588324946 1173024713 /nfs/dbraw/zinc/02/47/13/1173024713.db2.gz BDRGMAJXOZDSBI-SSDOTTSWSA-N -1 3 263.251 1.603 20 30 CDEDHM C#C[C@@H](C)N(C)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001588324946 1173024720 /nfs/dbraw/zinc/02/47/20/1173024720.db2.gz BDRGMAJXOZDSBI-SSDOTTSWSA-N -1 3 263.251 1.603 20 30 CDEDHM C#C[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588326667 1173027444 /nfs/dbraw/zinc/02/74/44/1173027444.db2.gz RNYSTCWRXHZHLP-WDEREUQCSA-N -1 3 283.335 1.183 20 30 CDEDHM C#C[C@@H](C)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588326667 1173027452 /nfs/dbraw/zinc/02/74/52/1173027452.db2.gz RNYSTCWRXHZHLP-WDEREUQCSA-N -1 3 283.335 1.183 20 30 CDEDHM C#C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588326342 1173028566 /nfs/dbraw/zinc/02/85/66/1173028566.db2.gz JXTVHFGDUULQMD-SSDOTTSWSA-N -1 3 258.241 1.209 20 30 CDEDHM C#C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588326342 1173028574 /nfs/dbraw/zinc/02/85/74/1173028574.db2.gz JXTVHFGDUULQMD-SSDOTTSWSA-N -1 3 258.241 1.209 20 30 CDEDHM C#C[C@@H]1CCCCN1c1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001588332159 1173035597 /nfs/dbraw/zinc/03/55/97/1173035597.db2.gz GWZDMKYBSWLIBW-GFCCVEGCSA-N -1 3 282.351 1.871 20 30 CDEDHM C#C[C@@H]1CCCCN1c1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001588332159 1173035606 /nfs/dbraw/zinc/03/56/06/1173035606.db2.gz GWZDMKYBSWLIBW-GFCCVEGCSA-N -1 3 282.351 1.871 20 30 CDEDHM C#CCCCCCC(=O)Nc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001588344934 1173045380 /nfs/dbraw/zinc/04/53/80/1173045380.db2.gz JVFSIJQYTIVKQX-UHFFFAOYSA-N -1 3 287.327 1.420 20 30 CDEDHM C#CCN(CC#CC)Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588350272 1173049461 /nfs/dbraw/zinc/04/94/61/1173049461.db2.gz MJAVRHXRKUGIRX-UHFFFAOYSA-N -1 3 299.765 1.979 20 30 CDEDHM C#CCN(CC#CC)Cc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588350272 1173049469 /nfs/dbraw/zinc/04/94/69/1173049469.db2.gz MJAVRHXRKUGIRX-UHFFFAOYSA-N -1 3 299.765 1.979 20 30 CDEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1nccs1 ZINC001588381567 1173056328 /nfs/dbraw/zinc/05/63/28/1173056328.db2.gz IWTDOOSNWHWHBH-UHFFFAOYSA-N -1 3 271.309 1.769 20 30 CDEDHM C=C1CN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC001588463054 1173066533 /nfs/dbraw/zinc/06/65/33/1173066533.db2.gz YFAXDXDOSLRBMW-JTQLQIEISA-N -1 3 285.307 1.032 20 30 CDEDHM C=C1CN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC001588463054 1173066540 /nfs/dbraw/zinc/06/65/40/1173066540.db2.gz YFAXDXDOSLRBMW-JTQLQIEISA-N -1 3 285.307 1.032 20 30 CDEDHM C=C[C@@H](C)ONC(=O)c1sccc1-c1nnn[n-]1 ZINC001588518388 1173071169 /nfs/dbraw/zinc/07/11/69/1173071169.db2.gz BSISIQYTBUMWDW-ZCFIWIBFSA-N -1 3 265.298 1.164 20 30 CDEDHM C=C[C@@H](C)ONC(=O)c1sccc1-c1nn[n-]n1 ZINC001588518388 1173071178 /nfs/dbraw/zinc/07/11/78/1173071178.db2.gz BSISIQYTBUMWDW-ZCFIWIBFSA-N -1 3 265.298 1.164 20 30 CDEDHM C=CC1(OC(=O)c2cc(-c3nnn[n-]3)[nH]c2C)CC1 ZINC001588527909 1173076247 /nfs/dbraw/zinc/07/62/47/1173076247.db2.gz YYXYPIZUTNDRFU-UHFFFAOYSA-N -1 3 259.269 1.379 20 30 CDEDHM C=CC1(OC(=O)c2cc(-c3nn[n-]n3)[nH]c2C)CC1 ZINC001588527909 1173076254 /nfs/dbraw/zinc/07/62/54/1173076254.db2.gz YYXYPIZUTNDRFU-UHFFFAOYSA-N -1 3 259.269 1.379 20 30 CDEDHM C=CCN(CCc1ccco1)c1cc(-c2nnn[n-]2)cnn1 ZINC001588635794 1173093377 /nfs/dbraw/zinc/09/33/77/1173093377.db2.gz VVMGCEBLKPJXEG-UHFFFAOYSA-N -1 3 297.322 1.485 20 30 CDEDHM C=CCN(CCc1ccco1)c1cc(-c2nn[n-]n2)cnn1 ZINC001588635794 1173093388 /nfs/dbraw/zinc/09/33/88/1173093388.db2.gz VVMGCEBLKPJXEG-UHFFFAOYSA-N -1 3 297.322 1.485 20 30 CDEDHM C=CCN(CCOC)C(=O)c1sccc1-c1nnn[n-]1 ZINC001588632527 1173093738 /nfs/dbraw/zinc/09/37/38/1173093738.db2.gz USVSJWHQCDLNMC-UHFFFAOYSA-N -1 3 293.352 1.203 20 30 CDEDHM C=CCN(CCOC)C(=O)c1sccc1-c1nn[n-]n1 ZINC001588632527 1173093741 /nfs/dbraw/zinc/09/37/41/1173093741.db2.gz USVSJWHQCDLNMC-UHFFFAOYSA-N -1 3 293.352 1.203 20 30 CDEDHM CC#CCCOC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001588745973 1173102138 /nfs/dbraw/zinc/10/21/38/1173102138.db2.gz JKZMNTCPQSHFLE-UHFFFAOYSA-N -1 3 259.269 1.073 20 30 CDEDHM CC#CCCOC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001588745973 1173102144 /nfs/dbraw/zinc/10/21/44/1173102144.db2.gz JKZMNTCPQSHFLE-UHFFFAOYSA-N -1 3 259.269 1.073 20 30 CDEDHM C[C@H](CC#N)N[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001589788497 1173180852 /nfs/dbraw/zinc/18/08/52/1173180852.db2.gz ZRTNQHAYRHPPSV-NXEZZACHSA-N -1 3 299.338 1.085 20 30 CDEDHM C[C@H](CC#N)N[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001589788497 1173180854 /nfs/dbraw/zinc/18/08/54/1173180854.db2.gz ZRTNQHAYRHPPSV-NXEZZACHSA-N -1 3 299.338 1.085 20 30 CDEDHM C[C@H](Cn1ccnc1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589903864 1173199542 /nfs/dbraw/zinc/19/95/42/1173199542.db2.gz KAUVTGQACXAZEI-SNVBAGLBSA-N -1 3 294.322 1.435 20 30 CDEDHM C[C@H](Cn1ccnc1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589903864 1173199545 /nfs/dbraw/zinc/19/95/45/1173199545.db2.gz KAUVTGQACXAZEI-SNVBAGLBSA-N -1 3 294.322 1.435 20 30 CDEDHM CC[C@H](C#N)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001590367262 1173375621 /nfs/dbraw/zinc/37/56/21/1173375621.db2.gz JQDDGLVBHNCMII-RNCFNFMXSA-N -1 3 296.334 1.520 20 30 CDEDHM CC[C@H](C#N)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001590367262 1173375627 /nfs/dbraw/zinc/37/56/27/1173375627.db2.gz JQDDGLVBHNCMII-RNCFNFMXSA-N -1 3 296.334 1.520 20 30 CDEDHM CCCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590605678 1173475390 /nfs/dbraw/zinc/47/53/90/1173475390.db2.gz KUPXYQJTSQDNDX-CYBMUJFWSA-N -1 3 299.334 1.892 20 30 CDEDHM CCCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590605678 1173475393 /nfs/dbraw/zinc/47/53/93/1173475393.db2.gz KUPXYQJTSQDNDX-CYBMUJFWSA-N -1 3 299.334 1.892 20 30 CDEDHM CCc1nnc(Sc2c(C#N)cccc2-c2nnn[n-]2)o1 ZINC001590933941 1173546865 /nfs/dbraw/zinc/54/68/65/1173546865.db2.gz JKBDOWNBMZJFIP-UHFFFAOYSA-N -1 3 299.319 1.835 20 30 CDEDHM CCc1nnc(Sc2c(C#N)cccc2-c2nn[n-]n2)o1 ZINC001590933941 1173546871 /nfs/dbraw/zinc/54/68/71/1173546871.db2.gz JKBDOWNBMZJFIP-UHFFFAOYSA-N -1 3 299.319 1.835 20 30 CDEDHM COCc1cc(-c2nn[n-]n2)ccc1N1CC[C@@](C)(C#N)C1 ZINC001591454576 1173654404 /nfs/dbraw/zinc/65/44/04/1173654404.db2.gz CGIOCDCBXLOIIR-HNNXBMFYSA-N -1 3 298.350 1.753 20 30 CDEDHM COCc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](C#N)C1 ZINC001591454543 1173654927 /nfs/dbraw/zinc/65/49/27/1173654927.db2.gz BBDYSBVPMMWLNP-NSHDSACASA-N -1 3 298.350 1.753 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1CN[C@H](C)CC#N ZINC001591866918 1173727844 /nfs/dbraw/zinc/72/78/44/1173727844.db2.gz QQOABXYIRIAKSB-SNVBAGLBSA-N -1 3 256.313 1.567 20 30 CDEDHM Cc1ccnc(N(C)[C@@H]2CCC[C@@H]2C#N)c1-c1nnn[n-]1 ZINC001592273712 1173841632 /nfs/dbraw/zinc/84/16/32/1173841632.db2.gz GOUHJGXINKPYLW-GHMZBOCLSA-N -1 3 283.339 1.699 20 30 CDEDHM Cc1ccnc(N(C)[C@@H]2CCC[C@@H]2C#N)c1-c1nn[n-]n1 ZINC001592273712 1173841637 /nfs/dbraw/zinc/84/16/37/1173841637.db2.gz GOUHJGXINKPYLW-GHMZBOCLSA-N -1 3 283.339 1.699 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC#Cc1ccccc1 ZINC001592341090 1173862022 /nfs/dbraw/zinc/86/20/22/1173862022.db2.gz QIPAOEZXBMMLON-UHFFFAOYSA-N -1 3 289.302 1.295 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC#Cc1ccccc1 ZINC001592341090 1173862025 /nfs/dbraw/zinc/86/20/25/1173862025.db2.gz QIPAOEZXBMMLON-UHFFFAOYSA-N -1 3 289.302 1.295 20 30 CDEDHM N#CC1(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001592668223 1173959618 /nfs/dbraw/zinc/95/96/18/1173959618.db2.gz HWLDYGPERPOPCX-UHFFFAOYSA-N -1 3 296.334 1.219 20 30 CDEDHM N#CC1(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001592668223 1173959624 /nfs/dbraw/zinc/95/96/24/1173959624.db2.gz HWLDYGPERPOPCX-UHFFFAOYSA-N -1 3 296.334 1.219 20 30 CDEDHM N#CCCCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001592675142 1173964987 /nfs/dbraw/zinc/96/49/87/1173964987.db2.gz RSEILDCBVGPSHV-UHFFFAOYSA-N -1 3 282.307 1.450 20 30 CDEDHM N#CCCCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001592675142 1173964990 /nfs/dbraw/zinc/96/49/90/1173964990.db2.gz RSEILDCBVGPSHV-UHFFFAOYSA-N -1 3 282.307 1.450 20 30 CDEDHM N#CCSCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001592682229 1173969791 /nfs/dbraw/zinc/96/97/91/1173969791.db2.gz RVGCNEKDHJLOSK-UHFFFAOYSA-N -1 3 280.338 1.123 20 30 CDEDHM N#CCSCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001592682229 1173969796 /nfs/dbraw/zinc/96/97/96/1173969796.db2.gz RVGCNEKDHJLOSK-UHFFFAOYSA-N -1 3 280.338 1.123 20 30 CDEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC001592694135 1173971073 /nfs/dbraw/zinc/97/10/73/1173971073.db2.gz MAJGSAIPVKKYIB-UHFFFAOYSA-N -1 3 295.281 1.885 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001592700020 1173973454 /nfs/dbraw/zinc/97/34/54/1173973454.db2.gz XELNQROQPCZKBL-JLLWLGSASA-N -1 3 282.307 1.470 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001592700020 1173973458 /nfs/dbraw/zinc/97/34/58/1173973458.db2.gz XELNQROQPCZKBL-JLLWLGSASA-N -1 3 282.307 1.470 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCOC(F)(F)F ZINC001592699769 1173974836 /nfs/dbraw/zinc/97/48/36/1173974836.db2.gz LSSGGMWBJSYCRW-UHFFFAOYSA-N -1 3 298.228 1.687 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCOC(F)(F)F ZINC001592699769 1173974842 /nfs/dbraw/zinc/97/48/42/1173974842.db2.gz LSSGGMWBJSYCRW-UHFFFAOYSA-N -1 3 298.228 1.687 20 30 CDEDHM N#Cc1cnc(NCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001592704694 1173978284 /nfs/dbraw/zinc/97/82/84/1173978284.db2.gz QDOSOSPSKRESMZ-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM N#Cc1cnc(NCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001592704694 1173978290 /nfs/dbraw/zinc/97/82/90/1173978290.db2.gz QDOSOSPSKRESMZ-UHFFFAOYSA-N -1 3 278.279 1.140 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001602690585 1175354633 /nfs/dbraw/zinc/35/46/33/1175354633.db2.gz XGVKBTLZWCWBNU-HNNXBMFYSA-N -1 3 299.334 1.164 20 30 CDEDHM C#C[C@@](C)(CC)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001602690585 1175354641 /nfs/dbraw/zinc/35/46/41/1175354641.db2.gz XGVKBTLZWCWBNU-HNNXBMFYSA-N -1 3 299.334 1.164 20 30 CDEDHM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC001602689754 1175355295 /nfs/dbraw/zinc/35/52/95/1175355295.db2.gz VDAYRBQQSMUPGU-GFCCVEGCSA-N -1 3 287.298 1.393 20 30 CDEDHM C#C[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602689405 1175356284 /nfs/dbraw/zinc/35/62/84/1175356284.db2.gz FTUHZCPJGRETCZ-SSDOTTSWSA-N -1 3 290.714 1.663 20 30 CDEDHM C#C[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602689405 1175356291 /nfs/dbraw/zinc/35/62/91/1175356291.db2.gz FTUHZCPJGRETCZ-SSDOTTSWSA-N -1 3 290.714 1.663 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602690913 1175356733 /nfs/dbraw/zinc/35/67/33/1175356733.db2.gz MBJSULXJMBFRFJ-NSHDSACASA-N -1 3 297.322 1.281 20 30 CDEDHM C#C[C@H]1CCCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602690913 1175356740 /nfs/dbraw/zinc/35/67/40/1175356740.db2.gz MBJSULXJMBFRFJ-NSHDSACASA-N -1 3 297.322 1.281 20 30 CDEDHM C#CCN(CC1CC1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602718030 1175370758 /nfs/dbraw/zinc/37/07/58/1175370758.db2.gz LNRMEWTUWWYRED-UHFFFAOYSA-N -1 3 298.306 1.625 20 30 CDEDHM C#CCN(CC1CC1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602718030 1175370762 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C[C@H](C#N)CNC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602989842 1175473123 /nfs/dbraw/zinc/47/31/23/1175473123.db2.gz USHZTQNKTJSSOR-SNVBAGLBSA-N -1 3 296.334 1.174 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603980131 1175705552 /nfs/dbraw/zinc/70/55/52/1175705552.db2.gz MDCQWXQZBAKVJD-AWEZNQCLSA-N -1 3 284.323 1.218 20 30 CDEDHM CC[C@@](C)(C#N)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603980131 1175705554 /nfs/dbraw/zinc/70/55/54/1175705554.db2.gz MDCQWXQZBAKVJD-AWEZNQCLSA-N -1 3 284.323 1.218 20 30 CDEDHM N#CCCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001608179977 1164438285 /nfs/dbraw/zinc/43/82/85/1164438285.db2.gz DEHGQEFWYZSRDW-ZDEQEGDKSA-N -1 3 293.367 1.109 20 30 CDEDHM C=C[C@@H](COC)NC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001609052720 1164745158 /nfs/dbraw/zinc/74/51/58/1164745158.db2.gz NSOMOMBPLIYHRY-NSHDSACASA-N -1 3 287.323 1.106 20 30 CDEDHM C=C[C@@H](COC)NC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001609052720 1164745161 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ZINC001591533590 1173666029 /nfs/dbraw/zinc/66/60/29/1173666029.db2.gz NHNGGCIAOWSMAH-SECBINFHSA-N -1 3 272.312 1.267 20 30 CDEDHM COc1cc(CN[C@H](C)CC#N)ccc1-c1nn[n-]n1 ZINC001591533590 1173666033 /nfs/dbraw/zinc/66/60/33/1173666033.db2.gz NHNGGCIAOWSMAH-SECBINFHSA-N -1 3 272.312 1.267 20 30 CDEDHM COc1cc(C=NN[C@@H](C)CC#N)ccc1-c1nn[n-]n1 ZINC001591522937 1173667213 /nfs/dbraw/zinc/66/72/13/1173667213.db2.gz NLCSZIIUVBURJU-VIFPVBQESA-N -1 3 285.311 1.101 20 30 CDEDHM COc1cc(C=NN[C@@H](C)CC#N)ccc1-c1nnn[n-]1 ZINC001591522937 1173667209 /nfs/dbraw/zinc/66/72/09/1173667209.db2.gz NLCSZIIUVBURJU-VIFPVBQESA-N -1 3 285.311 1.101 20 30 CDEDHM COc1ccc(CNC(=O)C#CC(C)C)cc1-c1nnn[n-]1 ZINC001591590163 1173670362 /nfs/dbraw/zinc/67/03/62/1173670362.db2.gz WMJPYSLGRAKTSD-UHFFFAOYSA-N -1 3 299.334 1.151 20 30 CDEDHM COc1ccc(CNC(=O)C#CC(C)C)cc1-c1nn[n-]n1 ZINC001591590163 1173670371 /nfs/dbraw/zinc/67/03/71/1173670371.db2.gz WMJPYSLGRAKTSD-UHFFFAOYSA-N -1 3 299.334 1.151 20 30 CDEDHM Cc1c[nH]nc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001591833982 1173711880 /nfs/dbraw/zinc/71/18/80/1173711880.db2.gz MQHCNVZYWUDEJL-UHFFFAOYSA-N -1 3 282.311 1.022 20 30 CDEDHM Cc1c[nH]nc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001591833982 1173711884 /nfs/dbraw/zinc/71/18/84/1173711884.db2.gz MQHCNVZYWUDEJL-UHFFFAOYSA-N -1 3 282.311 1.022 20 30 CDEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1C#N ZINC001591986308 1173766925 /nfs/dbraw/zinc/76/69/25/1173766925.db2.gz LGWZOHVTHBOYHY-HTQZYQBOSA-N -1 3 286.270 1.412 20 30 CDEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1C#N ZINC001591986308 1173766928 /nfs/dbraw/zinc/76/69/28/1173766928.db2.gz LGWZOHVTHBOYHY-HTQZYQBOSA-N -1 3 286.270 1.412 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1c[nH]nc1C#N ZINC001592099829 1173800464 /nfs/dbraw/zinc/80/04/64/1173800464.db2.gz NKIVVVMMKGNSPC-UHFFFAOYSA-N -1 3 294.278 1.022 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1c[nH]nc1C#N ZINC001592099829 1173800467 /nfs/dbraw/zinc/80/04/67/1173800467.db2.gz NKIVVVMMKGNSPC-UHFFFAOYSA-N -1 3 294.278 1.022 20 30 CDEDHM Cc1ccc(CN[C@@H](C)CC#N)cc1-c1nn[n-]n1 ZINC001592164724 1173818725 /nfs/dbraw/zinc/81/87/25/1173818725.db2.gz BRTOMJBRYFHPES-JTQLQIEISA-N -1 3 256.313 1.567 20 30 CDEDHM Cc1nc(NC[C@H](C)C#N)c(Cl)cc1-c1nnn[n-]1 ZINC001592383950 1173875224 /nfs/dbraw/zinc/87/52/24/1173875224.db2.gz MUOYGYZWHBXEJP-ZCFIWIBFSA-N -1 3 277.719 1.795 20 30 CDEDHM Cc1nc(NC[C@H](C)C#N)c(Cl)cc1-c1nn[n-]n1 ZINC001592383950 1173875227 /nfs/dbraw/zinc/87/52/27/1173875227.db2.gz MUOYGYZWHBXEJP-ZCFIWIBFSA-N -1 3 277.719 1.795 20 30 CDEDHM N#CCCCCNc1ccc(-c2nn[n-]n2)cc1CO ZINC001592676143 1173966376 /nfs/dbraw/zinc/96/63/76/1173966376.db2.gz BAYGCEXNLZGKAJ-UHFFFAOYSA-N -1 3 272.312 1.465 20 30 CDEDHM N#CCOC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001592678765 1173968353 /nfs/dbraw/zinc/96/83/53/1173968353.db2.gz OXGNTJIFOUEDDG-UHFFFAOYSA-N -1 3 297.318 1.745 20 30 CDEDHM N#CCOC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001592678765 1173968360 /nfs/dbraw/zinc/96/83/60/1173968360.db2.gz OXGNTJIFOUEDDG-UHFFFAOYSA-N -1 3 297.318 1.745 20 30 CDEDHM N#Cc1cc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)co1 ZINC001592688022 1173970776 /nfs/dbraw/zinc/97/07/76/1173970776.db2.gz SXHLJNUBLYRHTC-UHFFFAOYSA-N -1 3 298.237 1.723 20 30 CDEDHM N#Cc1cc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)co1 ZINC001592688022 1173970783 /nfs/dbraw/zinc/97/07/83/1173970783.db2.gz SXHLJNUBLYRHTC-UHFFFAOYSA-N -1 3 298.237 1.723 20 30 CDEDHM N#Cc1cc(NC(=O)[C@]23C[C@H]2CCC3)ccc1-c1nnn[n-]1 ZINC001592689107 1173970976 /nfs/dbraw/zinc/97/09/76/1173970976.db2.gz BZWRBPDXPIFGLU-MEBBXXQBSA-N -1 3 294.318 1.867 20 30 CDEDHM N#Cc1cc(NC(=O)[C@]23C[C@H]2CCC3)ccc1-c1nn[n-]n1 ZINC001592689107 1173970982 /nfs/dbraw/zinc/97/09/82/1173970982.db2.gz BZWRBPDXPIFGLU-MEBBXXQBSA-N -1 3 294.318 1.867 20 30 CDEDHM N#Cc1c[nH]c(C(=O)NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC001592686819 1173972475 /nfs/dbraw/zinc/97/24/75/1173972475.db2.gz UNXJOUGPWILXMG-UHFFFAOYSA-N -1 3 299.319 1.058 20 30 CDEDHM C#C[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001602697084 1175362016 /nfs/dbraw/zinc/36/20/16/1175362016.db2.gz RCFVGEZJIAGUBJ-SECBINFHSA-N -1 3 274.353 1.481 20 30 CDEDHM C=C[C@H](C)NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602797044 1175404043 /nfs/dbraw/zinc/40/40/43/1175404043.db2.gz APOBGVIGCKUENH-JTQLQIEISA-N -1 3 283.335 1.589 20 30 CDEDHM C=C[C@H](C)NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602797044 1175404044 /nfs/dbraw/zinc/40/40/44/1175404044.db2.gz APOBGVIGCKUENH-JTQLQIEISA-N -1 3 283.335 1.589 20 30 CDEDHM C=CC[C@@H](C)NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602811502 1175412494 /nfs/dbraw/zinc/41/24/94/1175412494.db2.gz NWXCHMJUCSIRKN-LLVKDONJSA-N -1 3 297.362 1.979 20 30 CDEDHM C=CC[C@@H](C)NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602811502 1175412497 /nfs/dbraw/zinc/41/24/97/1175412497.db2.gz NWXCHMJUCSIRKN-LLVKDONJSA-N -1 3 297.362 1.979 20 30 CDEDHM C=CCC[C@H](CO)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001602833211 1175420911 /nfs/dbraw/zinc/42/09/11/1175420911.db2.gz HKLUWBLZOMFAJA-SNVBAGLBSA-N -1 3 277.303 1.745 20 30 CDEDHM C=CCC[C@H](CO)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001602833211 1175420918 /nfs/dbraw/zinc/42/09/18/1175420918.db2.gz HKLUWBLZOMFAJA-SNVBAGLBSA-N -1 3 277.303 1.745 20 30 CDEDHM C=CCCCNC(=O)c1cscc1-c1nnn[n-]1 ZINC001602840282 1175427679 /nfs/dbraw/zinc/42/76/79/1175427679.db2.gz UTTYCBQULKDHAD-UHFFFAOYSA-N -1 3 263.326 1.624 20 30 CDEDHM C=CCCCNC(=O)c1cscc1-c1nn[n-]n1 ZINC001602840282 1175427684 /nfs/dbraw/zinc/42/76/84/1175427684.db2.gz UTTYCBQULKDHAD-UHFFFAOYSA-N -1 3 263.326 1.624 20 30 CDEDHM C=CCCN(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602839766 1175428040 /nfs/dbraw/zinc/42/80/40/1175428040.db2.gz GSPGGTHTAXTUGO-MDZDMXLPSA-N -1 3 283.335 1.914 20 30 CDEDHM C=CCCN(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602839766 1175428044 /nfs/dbraw/zinc/42/80/44/1175428044.db2.gz GSPGGTHTAXTUGO-MDZDMXLPSA-N -1 3 283.335 1.914 20 30 CDEDHM C=CCCC[C@H](N)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001602863636 1175437935 /nfs/dbraw/zinc/43/79/35/1175437935.db2.gz QVRYMTKYRQYZGO-ZDUSSCGKSA-N -1 3 292.335 1.772 20 30 CDEDHM C[C@H]1C[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CO1 ZINC001603846843 1175653074 /nfs/dbraw/zinc/65/30/74/1175653074.db2.gz ZJVWRHJWFQMCDX-WCBMZHEXSA-N -1 3 298.306 1.102 20 30 CDEDHM C[C@H]1C[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CO1 ZINC001603846843 1175653079 /nfs/dbraw/zinc/65/30/79/1175653079.db2.gz ZJVWRHJWFQMCDX-WCBMZHEXSA-N -1 3 298.306 1.102 20 30 CDEDHM CC[C@H](C#N)C(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001603977611 1175704133 /nfs/dbraw/zinc/70/41/33/1175704133.db2.gz DDOSUKWKBYALKY-MRVPVSSYSA-N -1 3 290.352 1.436 20 30 CDEDHM CC[C@H](C#N)C(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001603977611 1175704136 /nfs/dbraw/zinc/70/41/36/1175704136.db2.gz DDOSUKWKBYALKY-MRVPVSSYSA-N -1 3 290.352 1.436 20 30 CDEDHM COc1ccc(C(=O)NCC2(C#N)CCOCC2)c([O-])c1 ZINC001772107467 1187069662 /nfs/dbraw/zinc/06/96/62/1187069662.db2.gz GGRWEIGLEIWMJM-UHFFFAOYSA-N -1 3 290.319 1.451 20 30 CDEDHM Cc1nc(NC(=O)c2cnccc2C#N)cc(=O)[n-]1 ZINC001192962985 1164383978 /nfs/dbraw/zinc/38/39/78/1164383978.db2.gz XWFNTEVVVDNLDM-UHFFFAOYSA-N -1 3 255.237 1.010 20 30 CDEDHM CCCCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001609209418 1164847846 /nfs/dbraw/zinc/84/78/46/1164847846.db2.gz FTROCMJFRZGUFY-UHFFFAOYSA-N -1 3 289.368 1.998 20 30 CDEDHM CCCCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001609209418 1164847851 /nfs/dbraw/zinc/84/78/51/1164847851.db2.gz FTROCMJFRZGUFY-UHFFFAOYSA-N -1 3 289.368 1.998 20 30 CDEDHM Cc1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)cnc1Cl ZINC000878901752 818009585 /nfs/dbraw/zinc/00/95/85/818009585.db2.gz YENDWVZAZKIESP-VIFPVBQESA-N -1 3 298.730 1.545 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)C(F)(F)c1ccccc1 ZINC000848137838 818014707 /nfs/dbraw/zinc/01/47/07/818014707.db2.gz GHLDZIHXZPVUEP-JTQLQIEISA-N -1 3 284.262 1.275 20 30 CDEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1c(C)noc1C ZINC000384206603 818031823 /nfs/dbraw/zinc/03/18/23/818031823.db2.gz NKYKTPPZGFESFQ-LLVKDONJSA-N -1 3 256.327 1.372 20 30 CDEDHM CC(=NN=c1[n-]nc[nH]1)c1ncc(Br)cc1F ZINC000807996185 818033876 /nfs/dbraw/zinc/03/38/76/818033876.db2.gz NBBIJKFAAFYNJX-UHFFFAOYSA-N -1 3 299.107 1.937 20 30 CDEDHM C#CCCCCCC(=O)[N-]OCCN1CCCC1=O ZINC000856043035 818174418 /nfs/dbraw/zinc/17/44/18/818174418.db2.gz QCORCBXBGYTISV-UHFFFAOYSA-N -1 3 266.341 1.240 20 30 CDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc2cccnc21 ZINC000816754446 818191733 /nfs/dbraw/zinc/19/17/33/818191733.db2.gz DWKPQCWHLNRCIP-GFCCVEGCSA-N -1 3 285.303 1.345 20 30 CDEDHM Cc1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)cc1C#N ZINC000854486371 818331892 /nfs/dbraw/zinc/33/18/92/818331892.db2.gz WICLDDFNDNNMNV-UHFFFAOYSA-N -1 3 284.319 1.253 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccc2cnccc21 ZINC000848135239 818410935 /nfs/dbraw/zinc/41/09/35/818410935.db2.gz BALADCHFKDEPQW-ZDUSSCGKSA-N -1 3 285.303 1.345 20 30 CDEDHM C[C@H]1O[C@@H](C)CC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000834943442 818422866 /nfs/dbraw/zinc/42/28/66/818422866.db2.gz ADISQLIKULKGDN-WDEREUQCSA-N -1 3 282.365 1.659 20 30 CDEDHM CCCc1occc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820482491 818473846 /nfs/dbraw/zinc/47/38/46/818473846.db2.gz LHFCGSLFLIKUHQ-JTQLQIEISA-N -1 3 266.297 1.342 20 30 CDEDHM C#CC1([N-]S(=O)(=O)c2cccnc2Cl)CCCC1 ZINC000882774697 818545579 /nfs/dbraw/zinc/54/55/79/818545579.db2.gz USICXXAOIQSKDO-UHFFFAOYSA-N -1 3 284.768 1.959 20 30 CDEDHM CNc1ccc(Cl)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000861828242 818569742 /nfs/dbraw/zinc/56/97/42/818569742.db2.gz POTZPTQMHKDXJY-LLVKDONJSA-N -1 3 297.742 1.492 20 30 CDEDHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)CC(C)(C)C#N)s1 ZINC000790047864 818956597 /nfs/dbraw/zinc/95/65/97/818956597.db2.gz JZEUOHZJRKZCFL-SSDOTTSWSA-N -1 3 288.398 1.377 20 30 CDEDHM CO[C@@H]1CCCC[C@H]1/N=C\c1c([O-])c(C)ncc1CO ZINC000844272527 819059538 /nfs/dbraw/zinc/05/95/38/819059538.db2.gz XIZKDCYVAZXZBQ-MJTYITSWSA-N -1 3 278.352 1.964 20 30 CDEDHM N#Cc1ccc(C(=O)OCc2cc(=O)c([O-])co2)o1 ZINC000796154902 819059791 /nfs/dbraw/zinc/05/97/91/819059791.db2.gz UOIANDNLEKPBSO-UHFFFAOYSA-N -1 3 261.189 1.167 20 30 CDEDHM CCc1ccc(CC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000816754740 819073567 /nfs/dbraw/zinc/07/35/67/819073567.db2.gz KUDUWQGDTOJYFW-CYBMUJFWSA-N -1 3 276.336 1.288 20 30 CDEDHM Cc1nc(C)c(NC(=O)N[C@@H]2CCCN([O-])C2=O)s1 ZINC000878890471 819113514 /nfs/dbraw/zinc/11/35/14/819113514.db2.gz GHPNYEZHJBAJOO-MRVPVSSYSA-N -1 3 284.341 1.262 20 30 CDEDHM C#CCO[C@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000825980455 819179151 /nfs/dbraw/zinc/17/91/51/819179151.db2.gz DLYSAUDWOFGGMD-SECBINFHSA-N -1 3 251.257 1.186 20 30 CDEDHM COCc1cccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000878178692 819231448 /nfs/dbraw/zinc/23/14/48/819231448.db2.gz OXYDOIHXFSQGGN-LBPRGKRZSA-N -1 3 293.323 1.335 20 30 CDEDHM C#CCN1CCC[C@H](NC(=O)c2ccc(OC)cc2[O-])C1 ZINC000923588202 819316939 /nfs/dbraw/zinc/31/69/39/819316939.db2.gz WNKLKXKCVFCXGM-LBPRGKRZSA-N -1 3 288.347 1.228 20 30 CDEDHM COCC(=NNCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821679751 819345042 /nfs/dbraw/zinc/34/50/42/819345042.db2.gz LHRCGFNGQCYFTR-UHFFFAOYSA-N -1 3 288.355 1.615 20 30 CDEDHM COCC(=NNCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821679751 819345048 /nfs/dbraw/zinc/34/50/48/819345048.db2.gz LHRCGFNGQCYFTR-UHFFFAOYSA-N -1 3 288.355 1.615 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)CCCn1ccccc1=O ZINC000846546272 819391980 /nfs/dbraw/zinc/39/19/80/819391980.db2.gz UOCXSKINULPLLE-LLVKDONJSA-N -1 3 250.298 1.251 20 30 CDEDHM C[C@@H](CC(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(F)cc1 ZINC000848139616 819441890 /nfs/dbraw/zinc/44/18/90/819441890.db2.gz ZTKZOONQMBXKFP-GWCFXTLKSA-N -1 3 294.326 1.816 20 30 CDEDHM [O-]c1cccc(Br)c1C=NN[C@H]1CCOC1 ZINC000863109402 819555717 /nfs/dbraw/zinc/55/57/17/819555717.db2.gz NGHZXABRIDRAFN-QMMMGPOBSA-N -1 3 285.141 1.867 20 30 CDEDHM C#CCC1(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCC1 ZINC000886797874 819606830 /nfs/dbraw/zinc/60/68/30/819606830.db2.gz DUIQTUUZNPCKTK-UHFFFAOYSA-N -1 3 271.320 1.735 20 30 CDEDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccccc1C#N ZINC000010492659 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/nfs/dbraw/zinc/43/75/03/1164437503.db2.gz KVCQCLBWVVPIDY-UHFFFAOYSA-N -1 3 274.320 1.933 20 30 CDEDHM CC(C)(CC#N)CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC001609082946 1164760660 /nfs/dbraw/zinc/76/06/60/1164760660.db2.gz NIOONELWNVEQNP-UHFFFAOYSA-N -1 3 296.338 1.866 20 30 CDEDHM CC(C)(CC#N)CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC001609082946 1164760666 /nfs/dbraw/zinc/76/06/66/1164760666.db2.gz NIOONELWNVEQNP-UHFFFAOYSA-N -1 3 296.338 1.866 20 30 CDEDHM CCC(=Nn1c(C)nnc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609180567 1164819749 /nfs/dbraw/zinc/81/97/49/1164819749.db2.gz FKCHROWYGYVBAY-UHFFFAOYSA-N -1 3 296.338 1.737 20 30 CDEDHM CCC(=Nn1c(C)nnc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609180567 1164819753 /nfs/dbraw/zinc/81/97/53/1164819753.db2.gz FKCHROWYGYVBAY-UHFFFAOYSA-N -1 3 296.338 1.737 20 30 CDEDHM CC[C@@H](C)CON=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001609184488 1164825473 /nfs/dbraw/zinc/82/54/73/1164825473.db2.gz CIUIFYSXGVPNBC-SNVBAGLBSA-N -1 3 299.338 1.911 20 30 CDEDHM CC[C@@H](C)CON=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001609184488 1164825477 /nfs/dbraw/zinc/82/54/77/1164825477.db2.gz CIUIFYSXGVPNBC-SNVBAGLBSA-N -1 3 299.338 1.911 20 30 CDEDHM Cc1ccc(C(=O)N[C@@H](C)CC#N)cc1-c1nnn[n-]1 ZINC001609418743 1164940425 /nfs/dbraw/zinc/94/04/25/1164940425.db2.gz WDVVWPYWSINANH-VIFPVBQESA-N -1 3 270.296 1.207 20 30 CDEDHM Cc1ccc(C(=O)N[C@@H](C)CC#N)cc1-c1nn[n-]n1 ZINC001609418743 1164940428 /nfs/dbraw/zinc/94/04/28/1164940428.db2.gz WDVVWPYWSINANH-VIFPVBQESA-N -1 3 270.296 1.207 20 30 CDEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NOC[C@@H]1CCOC1 ZINC001609487983 1164973556 /nfs/dbraw/zinc/97/35/56/1164973556.db2.gz SRWYKFXUTWXUAK-SECBINFHSA-N -1 3 291.286 1.393 20 30 CDEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NOC[C@@H]1CCOC1 ZINC001609487983 1164973559 /nfs/dbraw/zinc/97/35/59/1164973559.db2.gz SRWYKFXUTWXUAK-SECBINFHSA-N -1 3 291.286 1.393 20 30 CDEDHM C=CCSCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000048545390 1166470000 /nfs/dbraw/zinc/47/00/00/1166470000.db2.gz CRULKGMEVJNWTC-UHFFFAOYSA-N -1 3 266.248 1.681 20 30 CDEDHM C=CCSCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000048545390 1166470005 /nfs/dbraw/zinc/47/00/05/1166470005.db2.gz CRULKGMEVJNWTC-UHFFFAOYSA-N -1 3 266.248 1.681 20 30 CDEDHM Cc1cc(=O)[n-]c(CNc2c(C#N)nnc3ccccc32)n1 ZINC001640109000 1166997555 /nfs/dbraw/zinc/99/75/55/1166997555.db2.gz FIZRZGIZUGCIOJ-UHFFFAOYSA-N -1 3 292.302 1.918 20 30 CDEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2NCC#N ZINC001155534358 1167219243 /nfs/dbraw/zinc/21/92/43/1167219243.db2.gz ZPXTYCSUJKMWME-UHFFFAOYSA-N -1 3 265.660 1.285 20 30 CDEDHM C#C[C@@H](C)OC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588326022 1173024884 /nfs/dbraw/zinc/02/48/84/1173024884.db2.gz CBPKSIPAAXNBKN-LLVKDONJSA-N -1 3 284.319 1.591 20 30 CDEDHM C#C[C@@H](C)OC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588326022 1173024890 /nfs/dbraw/zinc/02/48/90/1173024890.db2.gz CBPKSIPAAXNBKN-LLVKDONJSA-N -1 3 284.319 1.591 20 30 CDEDHM C#CCCCOC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588345446 1173044941 /nfs/dbraw/zinc/04/49/41/1173044941.db2.gz HMLJCEXGSFUWFF-UHFFFAOYSA-N -1 3 299.334 1.503 20 30 CDEDHM C#CCCCOC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588345446 1173044950 /nfs/dbraw/zinc/04/49/50/1173044950.db2.gz HMLJCEXGSFUWFF-UHFFFAOYSA-N -1 3 299.334 1.503 20 30 CDEDHM C#CCCOC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001588347556 1173046448 /nfs/dbraw/zinc/04/64/48/1173046448.db2.gz RUAAGNQHKSZBPM-UHFFFAOYSA-N -1 3 277.309 1.178 20 30 CDEDHM C(=NN[C@@H]1CCSC1)c1ccc(-c2nnn[n-]2)s1 ZINC001588381932 1173055374 /nfs/dbraw/zinc/05/53/74/1173055374.db2.gz XAGLRXULXZQZIK-SSDOTTSWSA-N -1 3 280.382 1.357 20 30 CDEDHM C=C1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588462543 1173066432 /nfs/dbraw/zinc/06/64/32/1173066432.db2.gz KANYQRXTLUQVNH-VOTSOKGWSA-N -1 3 267.292 1.278 20 30 CDEDHM C=C1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588462543 1173066436 /nfs/dbraw/zinc/06/64/36/1173066436.db2.gz KANYQRXTLUQVNH-VOTSOKGWSA-N -1 3 267.292 1.278 20 30 CDEDHM C=CCOCCCNc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588682972 1173097190 /nfs/dbraw/zinc/09/71/90/1173097190.db2.gz VNIRBPGHJXTMGX-UHFFFAOYSA-N -1 3 274.328 1.575 20 30 CDEDHM C=CCOCCCNc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588682972 1173097195 /nfs/dbraw/zinc/09/71/95/1173097195.db2.gz VNIRBPGHJXTMGX-UHFFFAOYSA-N -1 3 274.328 1.575 20 30 CDEDHM CC#CCCCC(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001588744215 1173102560 /nfs/dbraw/zinc/10/25/60/1173102560.db2.gz UXFWCXVXQWVKSR-UHFFFAOYSA-N -1 3 284.323 1.072 20 30 CDEDHM CC#CCCCC(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001588744215 1173102565 /nfs/dbraw/zinc/10/25/65/1173102565.db2.gz UXFWCXVXQWVKSR-UHFFFAOYSA-N -1 3 284.323 1.072 20 30 CDEDHM CC(=NOCC(C)C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588781454 1173104334 /nfs/dbraw/zinc/10/43/34/1173104334.db2.gz CVTOSMSVLZKJTP-UHFFFAOYSA-N -1 3 260.301 1.658 20 30 CDEDHM CC(=NOCC(C)C)c1cc(-c2nn[n-]n2)ccn1 ZINC001588781454 1173104341 /nfs/dbraw/zinc/10/43/41/1173104341.db2.gz CVTOSMSVLZKJTP-UHFFFAOYSA-N -1 3 260.301 1.658 20 30 CDEDHM C[C@H](C#N)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588930737 1173115079 /nfs/dbraw/zinc/11/50/79/1173115079.db2.gz JOBBCCMWVKVLCH-MRVPVSSYSA-N -1 3 282.307 1.842 20 30 CDEDHM C[C@H](C#N)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588930737 1173115082 /nfs/dbraw/zinc/11/50/82/1173115082.db2.gz JOBBCCMWVKVLCH-MRVPVSSYSA-N -1 3 282.307 1.842 20 30 CDEDHM C[C@@H](C#N)CN(C)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001588930652 1173115797 /nfs/dbraw/zinc/11/57/97/1173115797.db2.gz DALITKVJFFWSLH-VIFPVBQESA-N -1 3 274.303 1.597 20 30 CDEDHM C[C@@H](C#N)CN(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588930652 1173115801 /nfs/dbraw/zinc/11/58/01/1173115801.db2.gz DALITKVJFFWSLH-VIFPVBQESA-N -1 3 274.303 1.597 20 30 CDEDHM C[C@H](CC#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589786577 1173179526 /nfs/dbraw/zinc/17/95/26/1173179526.db2.gz IZSIUNHODSSZTO-SSDOTTSWSA-N -1 3 274.259 1.494 20 30 CDEDHM C[C@H](CC#N)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589786577 1173179529 /nfs/dbraw/zinc/17/95/29/1173179529.db2.gz IZSIUNHODSSZTO-SSDOTTSWSA-N -1 3 274.259 1.494 20 30 CDEDHM C[C@H](NC(=O)NCCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589935263 1173206501 /nfs/dbraw/zinc/20/65/01/1173206501.db2.gz XAKZOYYXKMQRLU-VIFPVBQESA-N -1 3 285.311 1.141 20 30 CDEDHM C[C@H](O)[C@@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001589994214 1173224516 /nfs/dbraw/zinc/22/45/16/1173224516.db2.gz DSPKLXVUVYIVLC-CMPLNLGQSA-N -1 3 298.350 1.336 20 30 CDEDHM C[C@H](O)[C@@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001589994214 1173224519 /nfs/dbraw/zinc/22/45/19/1173224519.db2.gz DSPKLXVUVYIVLC-CMPLNLGQSA-N -1 3 298.350 1.336 20 30 CDEDHM CC1(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1 ZINC001590123021 1173264041 /nfs/dbraw/zinc/26/40/41/1173264041.db2.gz ACSYIIFATODOJC-UHFFFAOYSA-N -1 3 282.307 1.867 20 30 CDEDHM CC1(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1 ZINC001590123021 1173264046 /nfs/dbraw/zinc/26/40/46/1173264046.db2.gz ACSYIIFATODOJC-UHFFFAOYSA-N -1 3 282.307 1.867 20 30 CDEDHM C[C@H]1SCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001590336754 1173363966 /nfs/dbraw/zinc/36/39/66/1173363966.db2.gz LTCFQZAWFLSLMD-SECBINFHSA-N -1 3 288.380 1.838 20 30 CDEDHM C[C@H]1SCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001590336754 1173363975 /nfs/dbraw/zinc/36/39/75/1173363975.db2.gz LTCFQZAWFLSLMD-SECBINFHSA-N -1 3 288.380 1.838 20 30 CDEDHM CCC(=NN1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590359196 1173374948 /nfs/dbraw/zinc/37/49/48/1173374948.db2.gz TWZWYJRXJCRXDR-UHFFFAOYSA-N -1 3 286.339 1.313 20 30 CDEDHM CCC(=NN1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590359196 1173374951 /nfs/dbraw/zinc/37/49/51/1173374951.db2.gz TWZWYJRXJCRXDR-UHFFFAOYSA-N -1 3 286.339 1.313 20 30 CDEDHM CCC(C#N)(CC)C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001590367673 1173376409 /nfs/dbraw/zinc/37/64/09/1173376409.db2.gz WEUIBSGDHNCKDJ-UHFFFAOYSA-N -1 3 299.338 1.554 20 30 CDEDHM CCC(C#N)(CC)C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001590367673 1173376412 /nfs/dbraw/zinc/37/64/12/1173376412.db2.gz WEUIBSGDHNCKDJ-UHFFFAOYSA-N -1 3 299.338 1.554 20 30 CDEDHM CC[C@@H](C#N)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590367882 1173377251 /nfs/dbraw/zinc/37/72/51/1173377251.db2.gz LYVLLGLEFLPWGD-LAUAKBEESA-N -1 3 296.334 1.640 20 30 CDEDHM CC[C@@H](C#N)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590367882 1173377257 /nfs/dbraw/zinc/37/72/57/1173377257.db2.gz LYVLLGLEFLPWGD-LAUAKBEESA-N -1 3 296.334 1.640 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590538928 1173455194 /nfs/dbraw/zinc/45/51/94/1173455194.db2.gz SHYKSOUBDHCODE-BCPZQOPPSA-N -1 3 296.334 1.688 20 30 CDEDHM CCC[C@@H](C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590538928 1173455196 /nfs/dbraw/zinc/45/51/96/1173455196.db2.gz SHYKSOUBDHCODE-BCPZQOPPSA-N -1 3 296.334 1.688 20 30 CDEDHM CN(C(=O)c1ccc(C#N)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590993377 1173557921 /nfs/dbraw/zinc/55/79/21/1173557921.db2.gz ZOPNTDBXDGCFAT-UHFFFAOYSA-N -1 3 294.274 1.608 20 30 CDEDHM CN(C(=O)c1ccc(C#N)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590993377 1173557930 /nfs/dbraw/zinc/55/79/30/1173557930.db2.gz ZOPNTDBXDGCFAT-UHFFFAOYSA-N -1 3 294.274 1.608 20 30 CDEDHM CN(Cc1ccc(C#N)cc1)c1ncccc1-c1nnn[n-]1 ZINC001591140445 1173578496 /nfs/dbraw/zinc/57/84/96/1173578496.db2.gz JOLUBYWOQAZVNY-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM CN(Cc1ccc(C#N)cc1)c1ncccc1-c1nn[n-]n1 ZINC001591140445 1173578500 /nfs/dbraw/zinc/57/85/00/1173578500.db2.gz JOLUBYWOQAZVNY-UHFFFAOYSA-N -1 3 291.318 1.770 20 30 CDEDHM Cc1c(C(=O)NC[C@H](C)C#N)cccc1-c1nnn[n-]1 ZINC001591808164 1173706404 /nfs/dbraw/zinc/70/64/04/1173706404.db2.gz SSVLZORBUIRXRC-MRVPVSSYSA-N -1 3 270.296 1.065 20 30 CDEDHM Cc1c(C(=O)NC[C@H](C)C#N)cccc1-c1nn[n-]n1 ZINC001591808164 1173706408 /nfs/dbraw/zinc/70/64/08/1173706408.db2.gz SSVLZORBUIRXRC-MRVPVSSYSA-N -1 3 270.296 1.065 20 30 CDEDHM Cc1c(C(=O)NC[C@@H](C)C#N)cccc1-c1nnn[n-]1 ZINC001591808165 1173706965 /nfs/dbraw/zinc/70/69/65/1173706965.db2.gz SSVLZORBUIRXRC-QMMMGPOBSA-N -1 3 270.296 1.065 20 30 CDEDHM Cc1c(C(=O)NC[C@@H](C)C#N)cccc1-c1nn[n-]n1 ZINC001591808165 1173706970 /nfs/dbraw/zinc/70/69/70/1173706970.db2.gz SSVLZORBUIRXRC-QMMMGPOBSA-N -1 3 270.296 1.065 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N[C@H](C#N)C(C)(C)C ZINC001591876449 1173733761 /nfs/dbraw/zinc/73/37/61/1173733761.db2.gz BTFSJTVVIRPDTE-SNVBAGLBSA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N[C@H](C#N)C(C)(C)C ZINC001591876449 1173733766 /nfs/dbraw/zinc/73/37/66/1173733766.db2.gz BTFSJTVVIRPDTE-SNVBAGLBSA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1cc(NC(=O)c2coc(C#N)c2)ncc1-c1nnn[n-]1 ZINC001592031628 1173776220 /nfs/dbraw/zinc/77/62/20/1173776220.db2.gz MZTQGQXSWDTYPQ-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM Cc1cc(NC(=O)c2coc(C#N)c2)ncc1-c1nn[n-]n1 ZINC001592031628 1173776224 /nfs/dbraw/zinc/77/62/24/1173776224.db2.gz MZTQGQXSWDTYPQ-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C#N)C1CC1 ZINC001592096178 1173799797 /nfs/dbraw/zinc/79/97/97/1173799797.db2.gz AAMFPIVBSJFHRM-LBPRGKRZSA-N -1 3 282.307 1.207 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C#N)C1CC1 ZINC001592096178 1173799799 /nfs/dbraw/zinc/79/97/99/1173799799.db2.gz AAMFPIVBSJFHRM-LBPRGKRZSA-N -1 3 282.307 1.207 20 30 CDEDHM Cc1nc(NC(=O)C2(C#N)CCCC2)ccc1-c1nnn[n-]1 ZINC001592377768 1173874222 /nfs/dbraw/zinc/87/42/22/1173874222.db2.gz RFUWKTTULMGNFO-UHFFFAOYSA-N -1 3 297.322 1.593 20 30 CDEDHM Cc1nc(NC(=O)C2(C#N)CCCC2)ccc1-c1nn[n-]n1 ZINC001592377768 1173874231 /nfs/dbraw/zinc/87/42/31/1173874231.db2.gz RFUWKTTULMGNFO-UHFFFAOYSA-N -1 3 297.322 1.593 20 30 CDEDHM N#CC1(CNc2cnccc2-c2nnn[n-]2)CCCC1 ZINC001592669405 1173959635 /nfs/dbraw/zinc/95/96/35/1173959635.db2.gz HTBQKLHDKZAVON-UHFFFAOYSA-N -1 3 269.312 1.758 20 30 CDEDHM N#CC1(CNc2cnccc2-c2nn[n-]n2)CCCC1 ZINC001592669405 1173959641 /nfs/dbraw/zinc/95/96/41/1173959641.db2.gz HTBQKLHDKZAVON-UHFFFAOYSA-N -1 3 269.312 1.758 20 30 CDEDHM N#CC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC001592669264 1173960123 /nfs/dbraw/zinc/96/01/23/1173960123.db2.gz VDUXGFJYDIELHX-UHFFFAOYSA-N -1 3 299.338 1.399 20 30 CDEDHM N#CC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001592669264 1173960127 /nfs/dbraw/zinc/96/01/27/1173960127.db2.gz VDUXGFJYDIELHX-UHFFFAOYSA-N -1 3 299.338 1.399 20 30 CDEDHM N#CCC1CN(Cc2cc(-c3nnn[n-]3)cnc2Cl)C1 ZINC001592673613 1173963442 /nfs/dbraw/zinc/96/34/42/1173963442.db2.gz HWLZOMPYJSFIMT-UHFFFAOYSA-N -1 3 289.730 1.261 20 30 CDEDHM N#CCC1CN(Cc2cc(-c3nn[n-]n3)cnc2Cl)C1 ZINC001592673613 1173963447 /nfs/dbraw/zinc/96/34/47/1173963447.db2.gz HWLZOMPYJSFIMT-UHFFFAOYSA-N -1 3 289.730 1.261 20 30 CDEDHM N#CCC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001592675021 1173965163 /nfs/dbraw/zinc/96/51/63/1173965163.db2.gz KUCOOZDGPVINMQ-UHFFFAOYSA-N -1 3 299.294 1.881 20 30 CDEDHM N#CCC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001592675021 1173965166 /nfs/dbraw/zinc/96/51/66/1173965166.db2.gz KUCOOZDGPVINMQ-UHFFFAOYSA-N -1 3 299.294 1.881 20 30 CDEDHM N#CCCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592676228 1173966574 /nfs/dbraw/zinc/96/65/74/1173966574.db2.gz HJAKJPLMIWDHPX-UHFFFAOYSA-N -1 3 289.274 1.431 20 30 CDEDHM 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269.370 1.416 20 30 CDEDHM Cc1ccc(N=NCc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000737362778 575947099 /nfs/dbraw/zinc/94/70/99/575947099.db2.gz WIUPJVFKSCFKNO-UHFFFAOYSA-N -1 3 280.295 1.411 20 30 CDEDHM Cc1ccc(N=NCc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000737362778 575947101 /nfs/dbraw/zinc/94/71/01/575947101.db2.gz WIUPJVFKSCFKNO-UHFFFAOYSA-N -1 3 280.295 1.411 20 30 CDEDHM CN1CC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1=O ZINC000737443650 575966192 /nfs/dbraw/zinc/96/61/92/575966192.db2.gz KBHDNXQVZNETQQ-QOUOVQQFSA-N -1 3 252.701 1.695 20 30 CDEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cccc2nonc21 ZINC000766048126 576074343 /nfs/dbraw/zinc/07/43/43/576074343.db2.gz YDJZXKDPFNUFQH-VIFPVBQESA-N -1 3 280.309 1.049 20 30 CDEDHM CC(=NN[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000767005163 576152931 /nfs/dbraw/zinc/15/29/31/576152931.db2.gz XWTSVGYMENIGOE-NSHDSACASA-N -1 3 282.365 1.201 20 30 CDEDHM N#CCCN(CCC#N)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768438334 576282718 /nfs/dbraw/zinc/28/27/18/576282718.db2.gz RERJZMZYLWYTHH-CQSZACIVSA-N -1 3 287.319 1.447 20 30 CDEDHM N#CCCC[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768887893 576316154 /nfs/dbraw/zinc/31/61/54/576316154.db2.gz XMUXUPMJPRRAQP-UHFFFAOYSA-N -1 3 275.311 1.238 20 30 CDEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)[C@@H]1CCOC1 ZINC000741839656 576575696 /nfs/dbraw/zinc/57/56/96/576575696.db2.gz MCPJKMUCPVNCSZ-CYBMUJFWSA-N -1 3 296.392 1.909 20 30 CDEDHM CCC(=O)N1CC[C@@H](/N=C/c2c([O-])cccc2OC)C1 ZINC000761785284 576593525 /nfs/dbraw/zinc/59/35/25/576593525.db2.gz HFNXMFYQFRJBPJ-LKBVRNOZSA-N -1 3 276.336 1.831 20 30 CDEDHM C#CCCc1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000762011037 576612477 /nfs/dbraw/zinc/61/24/77/576612477.db2.gz VLMNJBGDFPKSOX-UHFFFAOYSA-N -1 3 291.332 1.674 20 30 CDEDHM O=C1CN(N=Cc2ccc(N3CCCCC3)o2)C(=O)[N-]1 ZINC000744809979 576699114 /nfs/dbraw/zinc/69/91/14/576699114.db2.gz HFJJGXWWUKLDKA-UHFFFAOYSA-N -1 3 276.296 1.156 20 30 CDEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-][C@@H](CO)CC1CC1 ZINC000754818308 576917088 /nfs/dbraw/zinc/91/70/88/576917088.db2.gz NFTKKMRPCQQWDE-SNVBAGLBSA-N -1 3 298.339 1.137 20 30 CDEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1cccnc1Cl ZINC000755441598 576945094 /nfs/dbraw/zinc/94/50/94/576945094.db2.gz IIQCMCHGUPKPJZ-SSDOTTSWSA-N -1 3 259.718 1.315 20 30 CDEDHM Cn1ccnc(NN=Cc2cccc(F)c2[O-])c1=O ZINC000755755275 576959210 /nfs/dbraw/zinc/95/92/10/576959210.db2.gz JTMWDKYBTJAZKN-UHFFFAOYSA-N -1 3 262.244 1.071 20 30 CDEDHM Cn1ccnc(N=NCc2cccc(F)c2[O-])c1=O ZINC000755755275 576959211 /nfs/dbraw/zinc/95/92/11/576959211.db2.gz JTMWDKYBTJAZKN-UHFFFAOYSA-N -1 3 262.244 1.071 20 30 CDEDHM C=CCNC(=O)[C@H](C)OC(=O)c1ccc(F)cc1[O-] ZINC000750170773 576980329 /nfs/dbraw/zinc/98/03/29/576980329.db2.gz USORTNYMBNDSAF-QMMMGPOBSA-N -1 3 267.256 1.379 20 30 CDEDHM CCOc1ccc(C=NNC2CCOCC2)c([O-])c1 ZINC000757592709 577044419 /nfs/dbraw/zinc/04/44/19/577044419.db2.gz MWESIMLSKIHTRB-UHFFFAOYSA-N -1 3 264.325 1.893 20 30 CDEDHM O=C1[N-]c2c(cccc2F)C1=NNC1CCOCC1 ZINC000757594100 577044732 /nfs/dbraw/zinc/04/47/32/577044732.db2.gz VDQDGIOVIKHHNT-UHFFFAOYSA-N -1 3 263.272 1.251 20 30 CDEDHM COc1cc(Cl)cc(C=NN2CC(=O)N(C)C2=O)c1[O-] ZINC000758884892 577137961 /nfs/dbraw/zinc/13/79/61/577137961.db2.gz POABIMKFSWZUAL-UHFFFAOYSA-N -1 3 297.698 1.282 20 30 CDEDHM COCCCC(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821687273 607254104 /nfs/dbraw/zinc/25/41/04/607254104.db2.gz WSQYHOKOSNVOOT-UHFFFAOYSA-N -1 3 288.355 1.759 20 30 CDEDHM COCCCC(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821687273 607254105 /nfs/dbraw/zinc/25/41/05/607254105.db2.gz WSQYHOKOSNVOOT-UHFFFAOYSA-N -1 3 288.355 1.759 20 30 CDEDHM C#CCCCNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000823841093 608291671 /nfs/dbraw/zinc/29/16/71/608291671.db2.gz IUANFGMJXGFPLZ-UHFFFAOYSA-N -1 3 282.351 1.966 20 30 CDEDHM C[C@H](C#N)CNN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000819857220 607325416 /nfs/dbraw/zinc/32/54/16/607325416.db2.gz PHALEJQXVDSCHZ-SECBINFHSA-N -1 3 294.322 1.431 20 30 CDEDHM C[C@H](C#N)CNN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000819857220 607325417 /nfs/dbraw/zinc/32/54/17/607325417.db2.gz PHALEJQXVDSCHZ-SECBINFHSA-N -1 3 294.322 1.431 20 30 CDEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccccn1 ZINC000822739956 607463659 /nfs/dbraw/zinc/46/36/59/607463659.db2.gz FNHWCMDYJGJXDD-UHFFFAOYSA-N -1 3 283.270 1.847 20 30 CDEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccccn1 ZINC000822739956 607463660 /nfs/dbraw/zinc/46/36/60/607463660.db2.gz FNHWCMDYJGJXDD-UHFFFAOYSA-N -1 3 283.270 1.847 20 30 CDEDHM C#CCN1CCC(C(=O)N[C@H](CCCCC)C(=O)[O-])CC1 ZINC000825614762 601647381 /nfs/dbraw/zinc/64/73/81/601647381.db2.gz XKGCASWEFMMLBO-CQSZACIVSA-N -1 3 294.395 1.481 20 30 CDEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCCC1 ZINC000826380305 607747217 /nfs/dbraw/zinc/74/72/17/607747217.db2.gz VAPMLDYTPMTCSA-GFCCVEGCSA-N -1 3 299.338 1.397 20 30 CDEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCCC1 ZINC000826380305 607747218 /nfs/dbraw/zinc/74/72/18/607747218.db2.gz VAPMLDYTPMTCSA-GFCCVEGCSA-N -1 3 299.338 1.397 20 30 CDEDHM C=C1CN(C(=O)c2ccc(C)c(-c3nnn[n-]3)c2)C1 ZINC001602776890 1175396725 /nfs/dbraw/zinc/39/67/25/1175396725.db2.gz KSFILSFCUODSOS-UHFFFAOYSA-N -1 3 255.281 1.187 20 30 CDEDHM C=C1CN(C(=O)c2ccc(C)c(-c3nn[n-]n3)c2)C1 ZINC001602776890 1175396732 /nfs/dbraw/zinc/39/67/32/1175396732.db2.gz KSFILSFCUODSOS-UHFFFAOYSA-N -1 3 255.281 1.187 20 30 CDEDHM N#C[C@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000822801621 606206094 /nfs/dbraw/zinc/20/60/94/606206094.db2.gz LCHMATVFBYGSSZ-LBPRGKRZSA-N -1 3 299.290 1.091 20 30 CDEDHM N#C[C@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000822801621 606206096 /nfs/dbraw/zinc/20/60/96/606206096.db2.gz LCHMATVFBYGSSZ-LBPRGKRZSA-N -1 3 299.290 1.091 20 30 CDEDHM C#CCN(CC)[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000819698228 606328550 /nfs/dbraw/zinc/32/85/50/606328550.db2.gz VBBVRTFBKOZQAM-ZDUSSCGKSA-N -1 3 299.334 1.036 20 30 CDEDHM C#CCN(CC)[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000819698228 606328552 /nfs/dbraw/zinc/32/85/52/606328552.db2.gz VBBVRTFBKOZQAM-ZDUSSCGKSA-N -1 3 299.334 1.036 20 30 CDEDHM CC(C)[C@@](C)(C#N)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820015525 606542146 /nfs/dbraw/zinc/54/21/46/606542146.db2.gz DLBIHLFSTRDQRP-OAHLLOKOSA-N -1 3 298.350 1.464 20 30 CDEDHM CC(C)[C@@](C)(C#N)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820015525 606542148 /nfs/dbraw/zinc/54/21/48/606542148.db2.gz DLBIHLFSTRDQRP-OAHLLOKOSA-N -1 3 298.350 1.464 20 30 CDEDHM C#CCCCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819693508 606682956 /nfs/dbraw/zinc/68/29/56/606682956.db2.gz SOBJEKFAGFUGPA-UHFFFAOYSA-N -1 3 291.261 1.288 20 30 CDEDHM C#CCCCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819693508 606682957 /nfs/dbraw/zinc/68/29/57/606682957.db2.gz SOBJEKFAGFUGPA-UHFFFAOYSA-N -1 3 291.261 1.288 20 30 CDEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]cn1 ZINC000823861396 607885737 /nfs/dbraw/zinc/88/57/37/607885737.db2.gz GSDVPRIAEUUGJH-UHFFFAOYSA-N -1 3 254.257 1.036 20 30 CDEDHM C=CCC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001602833861 1175420790 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C=CCOCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000823931991 609574197 /nfs/dbraw/zinc/57/41/97/609574197.db2.gz JZEKQKXGHDENML-UHFFFAOYSA-N -1 3 263.276 1.620 20 30 CDEDHM C[C@@]1(C#N)CCCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824779353 609600424 /nfs/dbraw/zinc/60/04/24/609600424.db2.gz USRCQHVZYGAEEX-AWEZNQCLSA-N -1 3 268.324 1.997 20 30 CDEDHM C=C(C)CO[N-]C(=O)CCCc1nc(C2CC2)no1 ZINC000846538468 617407027 /nfs/dbraw/zinc/40/70/27/617407027.db2.gz XHIXFHKKMKMIGR-UHFFFAOYSA-N -1 3 265.313 1.894 20 30 CDEDHM N#Cc1ccc(N2CCN(c3cc(=O)[n-]cn3)CC2)c(F)c1 ZINC000892254233 617580681 /nfs/dbraw/zinc/58/06/81/617580681.db2.gz MDZJIMZRBBHODU-UHFFFAOYSA-N -1 3 299.309 1.520 20 30 CDEDHM C=CCOC[C@@H](NCc1cc(F)ccc1OC)C(=O)[O-] ZINC000901809641 618263965 /nfs/dbraw/zinc/26/39/65/618263965.db2.gz UQWMLVJZKVKAHQ-GFCCVEGCSA-N -1 3 283.299 1.580 20 30 CDEDHM C=CCOc1ccccc1CN1CC[C@](O)(C(=O)[O-])C1 ZINC000901900286 618351134 /nfs/dbraw/zinc/35/11/34/618351134.db2.gz FKUUNEZGSNCNHL-OAHLLOKOSA-N -1 3 277.320 1.273 20 30 CDEDHM C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])N1CCC(C)CC1 ZINC000820238519 618517413 /nfs/dbraw/zinc/51/74/13/618517413.db2.gz RHZRJENFACXCTN-SWLSCSKDSA-N -1 3 295.383 1.228 20 30 CDEDHM N#CCCCCOC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826381397 618590701 /nfs/dbraw/zinc/59/07/01/618590701.db2.gz KEKNOZPFUAEDJC-UHFFFAOYSA-N -1 3 260.257 1.045 20 30 CDEDHM Cc1cc(C#N)cc(N2CCC(c3nnn[n-]3)CC2)n1 ZINC000895006066 619191580 /nfs/dbraw/zinc/19/15/80/619191580.db2.gz KBCVZKCHGQSZMH-UHFFFAOYSA-N -1 3 269.312 1.159 20 30 CDEDHM Cc1cc(C#N)cc(N2CCC(c3nn[n-]n3)CC2)n1 ZINC000895006066 619191585 /nfs/dbraw/zinc/19/15/85/619191585.db2.gz KBCVZKCHGQSZMH-UHFFFAOYSA-N -1 3 269.312 1.159 20 30 CDEDHM N#CC[C@]1(O)CCN(Cc2ccc([O-])c(F)c2)C1 ZINC000895109828 619298272 /nfs/dbraw/zinc/29/82/72/619298272.db2.gz WYZQMKIBDPCFFI-ZDUSSCGKSA-N -1 3 250.273 1.382 20 30 CDEDHM O=C1[C@H](NCc2cccc(OC3CC3)c2F)CCCN1[O-] ZINC000895156238 619370077 /nfs/dbraw/zinc/37/00/77/619370077.db2.gz BGGBXRTXXDJXTP-GFCCVEGCSA-N -1 3 294.326 1.837 20 30 CDEDHM CC(C)N(C)c1ccc(CN[C@H]2CCCN([O-])C2=O)cn1 ZINC000895160404 619378812 /nfs/dbraw/zinc/37/88/12/619378812.db2.gz MTUTXZRNSCYZNG-ZDUSSCGKSA-N -1 3 292.383 1.396 20 30 CDEDHM COc1cc(CN[C@@H]2CCCN([O-])C2=O)cc(OC)c1 ZINC000895164280 619390989 /nfs/dbraw/zinc/39/09/89/619390989.db2.gz BOLHSSITZLHWJD-CYBMUJFWSA-N -1 3 280.324 1.174 20 30 CDEDHM C#CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC000928625656 620224558 /nfs/dbraw/zinc/22/45/58/620224558.db2.gz YWVFLJCIZAWMJB-UHFFFAOYSA-N -1 3 259.309 1.543 20 30 CDEDHM C#CCO[N-]C(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897811646 621114817 /nfs/dbraw/zinc/11/48/17/621114817.db2.gz IOAXIEHANWSTQS-CQSZACIVSA-N -1 3 276.336 1.415 20 30 CDEDHM C=CCCn1cc(CN[C@@](C)(CC(=O)[O-])C(C)C)nn1 ZINC000901815827 624451074 /nfs/dbraw/zinc/45/10/74/624451074.db2.gz MAFFBTVBYXQXAI-AWEZNQCLSA-N -1 3 280.372 1.833 20 30 CDEDHM CNC(=O)CCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173648 626210283 /nfs/dbraw/zinc/21/02/83/626210283.db2.gz NSZDROBYPMRVLY-UHFFFAOYSA-N -1 3 282.315 1.850 20 30 CDEDHM O=C([C@@H]1[C@@H]2CCC(=O)[C@@H]21)N([O-])Cc1ccc(F)cc1 ZINC000904178348 626211817 /nfs/dbraw/zinc/21/18/17/626211817.db2.gz GKQVQEIMUCNIMA-RAIGVLPGSA-N -1 3 263.268 1.769 20 30 CDEDHM CCCCN([O-])C(=O)[C@H]1COc2ccc(O)cc2O1 ZINC000904214932 626227629 /nfs/dbraw/zinc/22/76/29/626227629.db2.gz SKLMBTWXDCSKFT-GFCCVEGCSA-N -1 3 267.281 1.550 20 30 CDEDHM CC(C)(Nc1ccccc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000908406128 628184884 /nfs/dbraw/zinc/18/48/84/628184884.db2.gz LENVUWXQKXOCPH-GFCCVEGCSA-N -1 3 291.351 1.374 20 30 CDEDHM C#CC[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(=O)[O-] ZINC000910051766 628828910 /nfs/dbraw/zinc/82/89/10/628828910.db2.gz GRKULVNTMHEQCS-STQMWFEESA-N -1 3 280.368 1.090 20 30 CDEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000911865088 629577490 /nfs/dbraw/zinc/57/74/90/629577490.db2.gz UDWOTNPKHLYSBZ-GWCFXTLKSA-N -1 3 277.324 1.088 20 30 CDEDHM Cc1ncc(CO)c(/C=N\CC(=O)Nc2ccccc2)c1[O-] ZINC000917559356 632238949 /nfs/dbraw/zinc/23/89/49/632238949.db2.gz LEIBPYSNXQYUEH-IUXPMGMMSA-N -1 3 299.330 1.646 20 30 CDEDHM CN(CCNc1cncc(C#N)n1)C(=O)c1ccccc1[O-] ZINC001101521522 1160490194 /nfs/dbraw/zinc/49/01/94/1160490194.db2.gz RVKCLVUBBJMMIW-UHFFFAOYSA-N -1 3 297.318 1.238 20 30 CDEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1(C#N)CC1 ZINC001604803789 1163332809 /nfs/dbraw/zinc/33/28/09/1163332809.db2.gz NQFUOQSOJAWGGQ-UHFFFAOYSA-N -1 3 296.334 1.519 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC1(C#N)CC1 ZINC001604803789 1163332815 /nfs/dbraw/zinc/33/28/15/1163332815.db2.gz NQFUOQSOJAWGGQ-UHFFFAOYSA-N -1 3 296.334 1.519 20 30 CDEDHM Cc1cc(CN(C)[C@H](C)CC#N)ccc1-c1nn[n-]n1 ZINC001605656126 1163635940 /nfs/dbraw/zinc/63/59/40/1163635940.db2.gz USOACVOKYGRRRI-LLVKDONJSA-N -1 3 270.340 1.909 20 30 CDEDHM Cc1cc(OC(=O)[C@@H]2C[C@@H]2C#N)c(C)c(C)c1-c1nn[n-]n1 ZINC001605746052 1163657904 /nfs/dbraw/zinc/65/79/04/1163657904.db2.gz VBACBLUOBPESCG-GHMZBOCLSA-N -1 3 297.318 1.857 20 30 CDEDHM Cc1nc(NC(=O)C(C)(C)C#N)ccc1-c1nnn[n-]1 ZINC001606058309 1163759457 /nfs/dbraw/zinc/75/94/57/1163759457.db2.gz VNSZOCGCLMKACC-UHFFFAOYSA-N -1 3 271.284 1.058 20 30 CDEDHM Cc1nc(NC(=O)C(C)(C)C#N)ccc1-c1nn[n-]n1 ZINC001606058309 1163759466 /nfs/dbraw/zinc/75/94/66/1163759466.db2.gz VNSZOCGCLMKACC-UHFFFAOYSA-N -1 3 271.284 1.058 20 30 CDEDHM N#CC[C@@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001606346168 1163871581 /nfs/dbraw/zinc/87/15/81/1163871581.db2.gz XHFYTMTWUAYBLK-SNVBAGLBSA-N -1 3 272.268 1.044 20 30 CDEDHM N#CC[C@@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001606346168 1163871589 /nfs/dbraw/zinc/87/15/89/1163871589.db2.gz XHFYTMTWUAYBLK-SNVBAGLBSA-N -1 3 272.268 1.044 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCOC(F)F ZINC001606379585 1163882607 /nfs/dbraw/zinc/88/26/07/1163882607.db2.gz FLTLPCKNWVZMKU-UHFFFAOYSA-N -1 3 294.265 1.780 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCOC(F)F ZINC001606379585 1163882612 /nfs/dbraw/zinc/88/26/12/1163882612.db2.gz FLTLPCKNWVZMKU-UHFFFAOYSA-N -1 3 294.265 1.780 20 30 CDEDHM N#Cc1cnn(Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001606388738 1163886226 /nfs/dbraw/zinc/88/62/26/1163886226.db2.gz DRCOQDVHTXLCHK-UHFFFAOYSA-N -1 3 257.282 1.045 20 30 CDEDHM N#Cc1ncn(C[C@H]2CC3CCC2CC3)c1-c1nnn[n-]1 ZINC001606398739 1163890858 /nfs/dbraw/zinc/89/08/58/1163890858.db2.gz TXOWDTFMTRHJHX-VQXHTEKXSA-N -1 3 283.339 1.761 20 30 CDEDHM Oc1cccc(C=NNc2cccc(-c3nn[n-]n3)c2)c1O ZINC001607111519 1164090089 /nfs/dbraw/zinc/09/00/89/1164090089.db2.gz XTEUHAICRAVALX-UHFFFAOYSA-N -1 3 296.290 1.724 20 30 CDEDHM C#CCO[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001609021294 1164727766 /nfs/dbraw/zinc/72/77/66/1164727766.db2.gz PUOCGDHKUYUMAR-JTQLQIEISA-N -1 3 285.307 1.152 20 30 CDEDHM C#CCO[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001609021294 1164727772 /nfs/dbraw/zinc/72/77/72/1164727772.db2.gz PUOCGDHKUYUMAR-JTQLQIEISA-N -1 3 285.307 1.152 20 30 CDEDHM C#CCOC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001609021282 1164728778 /nfs/dbraw/zinc/72/87/78/1164728778.db2.gz OHUQGADBKKBUER-UHFFFAOYSA-N -1 3 297.196 1.071 20 30 CDEDHM C=CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001609056199 1164749866 /nfs/dbraw/zinc/74/98/66/1164749866.db2.gz VJYWIVQIILCNRW-UHFFFAOYSA-N -1 3 271.324 1.903 20 30 CDEDHM C=CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001609056199 1164749875 /nfs/dbraw/zinc/74/98/75/1164749875.db2.gz VJYWIVQIILCNRW-UHFFFAOYSA-N -1 3 271.324 1.903 20 30 CDEDHM CCC1CN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001609202723 1164842900 /nfs/dbraw/zinc/84/29/00/1164842900.db2.gz ODFQAYGCVBOWKR-UHFFFAOYSA-N -1 3 254.297 1.585 20 30 CDEDHM CCC1CN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001609202723 1164842904 /nfs/dbraw/zinc/84/29/04/1164842904.db2.gz ODFQAYGCVBOWKR-UHFFFAOYSA-N -1 3 254.297 1.585 20 30 CDEDHM CCC[C@@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)OC ZINC001609204571 1164845355 /nfs/dbraw/zinc/84/53/55/1164845355.db2.gz IBOACHNGKKWEBF-ZDUSSCGKSA-N -1 3 288.355 1.757 20 30 CDEDHM CCC[C@@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)OC ZINC001609204571 1164845363 /nfs/dbraw/zinc/84/53/63/1164845363.db2.gz IBOACHNGKKWEBF-ZDUSSCGKSA-N -1 3 288.355 1.757 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(N[C@@H]2CC[C@H](C#N)C2)n1 ZINC001609386286 1164920534 /nfs/dbraw/zinc/92/05/34/1164920534.db2.gz MZPVKMZQMUIICP-GXSJLCMTSA-N -1 3 269.312 1.674 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(N[C@@H]2CC[C@H](C#N)C2)n1 ZINC001609386286 1164920527 /nfs/dbraw/zinc/92/05/27/1164920527.db2.gz MZPVKMZQMUIICP-GXSJLCMTSA-N -1 3 269.312 1.674 20 30 CDEDHM N#CCOc1cccc(CNCc2ccc(C(=O)[O-])[nH]2)c1 ZINC001610622973 1165383177 /nfs/dbraw/zinc/38/31/77/1165383177.db2.gz FRDNMUCIBBGPMO-UHFFFAOYSA-N -1 3 285.303 1.905 20 30 CDEDHM Cc1conc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001581379693 1172608495 /nfs/dbraw/zinc/60/84/95/1172608495.db2.gz FHCPUGTVUFXJBF-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM Cc1conc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001581379693 1172608500 /nfs/dbraw/zinc/60/85/00/1172608500.db2.gz FHCPUGTVUFXJBF-UHFFFAOYSA-N -1 3 295.262 1.287 20 30 CDEDHM C#CC(C)(C)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588325647 1173024356 /nfs/dbraw/zinc/02/43/56/1173024356.db2.gz RIIWZLWLVWWAMM-UHFFFAOYSA-N -1 3 290.714 1.057 20 30 CDEDHM C#CC(C)(C)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588325647 1173024366 /nfs/dbraw/zinc/02/43/66/1173024366.db2.gz RIIWZLWLVWWAMM-UHFFFAOYSA-N -1 3 290.714 1.057 20 30 CDEDHM C#CC(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588325285 1173024380 /nfs/dbraw/zinc/02/43/80/1173024380.db2.gz JBFKWDCHRFSZHL-UHFFFAOYSA-N -1 3 288.286 1.539 20 30 CDEDHM C#CC(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588325285 1173024385 /nfs/dbraw/zinc/02/43/85/1173024385.db2.gz JBFKWDCHRFSZHL-UHFFFAOYSA-N -1 3 288.286 1.539 20 30 CDEDHM C#C[C@@H](CC)OC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588327506 1173026584 /nfs/dbraw/zinc/02/65/84/1173026584.db2.gz KIVFUAIQRFFJKO-JTQLQIEISA-N -1 3 286.291 1.444 20 30 CDEDHM C#C[C@@H](CC)OC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588327506 1173026592 /nfs/dbraw/zinc/02/65/92/1173026592.db2.gz KIVFUAIQRFFJKO-JTQLQIEISA-N 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/nfs/dbraw/zinc/04/69/68/1173046968.db2.gz YGCPGMGVKJYOHJ-UHFFFAOYSA-N -1 3 270.296 1.320 20 30 CDEDHM C#CCN(Cc1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001588350982 1173049226 /nfs/dbraw/zinc/04/92/26/1173049226.db2.gz XZGKFBCGGXITTN-UHFFFAOYSA-N -1 3 271.299 1.603 20 30 CDEDHM C#CCN(Cc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001588350982 1173049232 /nfs/dbraw/zinc/04/92/32/1173049232.db2.gz XZGKFBCGGXITTN-UHFFFAOYSA-N -1 3 271.299 1.603 20 30 CDEDHM C=C(CC)CNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588441918 1173063064 /nfs/dbraw/zinc/06/30/64/1173063064.db2.gz IWSGGLICZLJOCF-UHFFFAOYSA-N -1 3 271.324 1.492 20 30 CDEDHM C=C(CC)CNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588441918 1173063071 /nfs/dbraw/zinc/06/30/71/1173063071.db2.gz IWSGGLICZLJOCF-UHFFFAOYSA-N -1 3 271.324 1.492 20 30 CDEDHM C=C[C@H](O)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588525289 1173071958 /nfs/dbraw/zinc/07/19/58/1173071958.db2.gz FQPVHGLSBKPRRK-JTQLQIEISA-N -1 3 294.698 1.110 20 30 CDEDHM C=C[C@H](O)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588525289 1173071966 /nfs/dbraw/zinc/07/19/66/1173071966.db2.gz FQPVHGLSBKPRRK-JTQLQIEISA-N -1 3 294.698 1.110 20 30 CDEDHM C=CCONC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588689015 1173099427 /nfs/dbraw/zinc/09/94/27/1173099427.db2.gz FFRNYYXOHKZEAC-UHFFFAOYSA-N -1 3 278.247 1.245 20 30 CDEDHM CC(=NNC12CC(C1)C2)c1cccc(-c2nnn[n-]2)c1 ZINC001588776401 1173104817 /nfs/dbraw/zinc/10/48/17/1173104817.db2.gz LSKUSMGFLRIOLM-UHFFFAOYSA-N -1 3 268.324 1.733 20 30 CDEDHM CC(=NNC12CC(C1)C2)c1cccc(-c2nn[n-]n2)c1 ZINC001588776401 1173104820 /nfs/dbraw/zinc/10/48/20/1173104820.db2.gz LSKUSMGFLRIOLM-UHFFFAOYSA-N -1 3 268.324 1.733 20 30 CDEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCOC1 ZINC001588781032 1173105282 /nfs/dbraw/zinc/10/52/82/1173105282.db2.gz YRTSQNLHELOCLP-LLVKDONJSA-N -1 3 287.327 1.476 20 30 CDEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCOC1 ZINC001588781032 1173105284 /nfs/dbraw/zinc/10/52/84/1173105284.db2.gz YRTSQNLHELOCLP-LLVKDONJSA-N -1 3 287.327 1.476 20 30 CDEDHM C[C@H](C#N)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588934853 1173116614 /nfs/dbraw/zinc/11/66/14/1173116614.db2.gz XQPAGNLHBICVAO-SNVBAGLBSA-N -1 3 268.324 1.743 20 30 CDEDHM C[C@H](C#N)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588934853 1173116617 /nfs/dbraw/zinc/11/66/17/1173116617.db2.gz XQPAGNLHBICVAO-SNVBAGLBSA-N -1 3 268.324 1.743 20 30 CDEDHM CC(C)C#CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001589389725 1173142791 /nfs/dbraw/zinc/14/27/91/1173142791.db2.gz KQLIUDOUGOMDIY-UHFFFAOYSA-N -1 3 299.334 1.021 20 30 CDEDHM C[C@H](CC#N)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589788433 1173181230 /nfs/dbraw/zinc/18/12/30/1173181230.db2.gz YTGRMXNGQQKUKL-SECBINFHSA-N -1 3 271.280 1.255 20 30 CDEDHM C[C@H](CC#N)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589788433 1173181234 /nfs/dbraw/zinc/18/12/34/1173181234.db2.gz YTGRMXNGQQKUKL-SECBINFHSA-N -1 3 271.280 1.255 20 30 CDEDHM CC1(C#N)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001590056247 1173238930 /nfs/dbraw/zinc/23/89/30/1173238930.db2.gz CVHWXBSMCVOHJY-UHFFFAOYSA-N -1 3 285.267 1.125 20 30 CDEDHM CC1(C#N)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001590056247 1173238936 /nfs/dbraw/zinc/23/89/36/1173238936.db2.gz CVHWXBSMCVOHJY-UHFFFAOYSA-N -1 3 285.267 1.125 20 30 CDEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1sccc1-c1nnn[n-]1 ZINC001590085521 1173252593 /nfs/dbraw/zinc/25/25/93/1173252593.db2.gz RJIWSMAOMUYJRK-LBPRGKRZSA-N -1 3 288.336 1.350 20 30 CDEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1sccc1-c1nn[n-]n1 ZINC001590085521 1173252598 /nfs/dbraw/zinc/25/25/98/1173252598.db2.gz RJIWSMAOMUYJRK-LBPRGKRZSA-N -1 3 288.336 1.350 20 30 CDEDHM Cc1ccc(-c2nnn[n-]2)c(NCC2(C#N)CC2)n1 ZINC001592084394 1173793342 /nfs/dbraw/zinc/79/33/42/1173793342.db2.gz FWMHUGNLGRJGKJ-UHFFFAOYSA-N -1 3 255.285 1.286 20 30 CDEDHM Cc1ccc(-c2nn[n-]n2)c(NCC2(C#N)CC2)n1 ZINC001592084394 1173793347 /nfs/dbraw/zinc/79/33/47/1173793347.db2.gz FWMHUGNLGRJGKJ-UHFFFAOYSA-N -1 3 255.285 1.286 20 30 CDEDHM Cn1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC001592578668 1173921295 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/nfs/dbraw/zinc/04/97/65/1173049765.db2.gz CKXFYTBJFJEHOE-UHFFFAOYSA-N -1 3 296.334 1.198 20 30 CDEDHM C#CCN(Cc1ccccc1)c1cc(-c2nnn[n-]2)cnn1 ZINC001588351997 1173049841 /nfs/dbraw/zinc/04/98/41/1173049841.db2.gz QPLDPGPENOIDLT-UHFFFAOYSA-N -1 3 291.318 1.297 20 30 CDEDHM C#CCN(Cc1ccccc1)c1cc(-c2nn[n-]n2)cnn1 ZINC001588351997 1173049850 /nfs/dbraw/zinc/04/98/50/1173049850.db2.gz QPLDPGPENOIDLT-UHFFFAOYSA-N -1 3 291.318 1.297 20 30 CDEDHM C#CCOC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588357741 1173053059 /nfs/dbraw/zinc/05/30/59/1173053059.db2.gz MKAPULKLMLVGSU-NWDGAFQWSA-N -1 3 268.276 1.147 20 30 CDEDHM C#CCOC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588357741 1173053061 /nfs/dbraw/zinc/05/30/61/1173053061.db2.gz MKAPULKLMLVGSU-NWDGAFQWSA-N -1 3 268.276 1.147 20 30 CDEDHM C(=NN[C@H]1CCOC1)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001588381463 1173055525 /nfs/dbraw/zinc/05/55/25/1173055525.db2.gz CZFJKMSHGGQGJL-JTQLQIEISA-N -1 3 297.322 1.060 20 30 CDEDHM C(=NN[C@H]1CCOC1)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001588381463 1173055535 /nfs/dbraw/zinc/05/55/35/1173055535.db2.gz CZFJKMSHGGQGJL-JTQLQIEISA-N -1 3 297.322 1.060 20 30 CDEDHM C=C(C)CCC(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001588419942 1173061143 /nfs/dbraw/zinc/06/11/43/1173061143.db2.gz WGHBOQOKHKBNCR-UHFFFAOYSA-N -1 3 258.285 1.557 20 30 CDEDHM C=C(C)CCC(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001588419942 1173061144 /nfs/dbraw/zinc/06/11/44/1173061144.db2.gz WGHBOQOKHKBNCR-UHFFFAOYSA-N -1 3 258.285 1.557 20 30 CDEDHM C=C(C)CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588430067 1173063401 /nfs/dbraw/zinc/06/34/01/1173063401.db2.gz LKRVRQMWBLYPJT-UHFFFAOYSA-N -1 3 289.364 1.651 20 30 CDEDHM C=C(C)CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588430067 1173063394 /nfs/dbraw/zinc/06/33/94/1173063394.db2.gz LKRVRQMWBLYPJT-UHFFFAOYSA-N -1 3 289.364 1.651 20 30 CDEDHM C=CC(C)(C)CCNC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588488845 1173070374 /nfs/dbraw/zinc/07/03/74/1173070374.db2.gz PEKXDSUZMMZZEH-UHFFFAOYSA-N -1 3 288.355 1.537 20 30 CDEDHM C=CC(C)(C)CCNC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588488845 1173070377 /nfs/dbraw/zinc/07/03/77/1173070377.db2.gz PEKXDSUZMMZZEH-UHFFFAOYSA-N -1 3 288.355 1.537 20 30 CDEDHM C=C[C@@H](C)ON=C(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001588518423 1173073138 /nfs/dbraw/zinc/07/31/38/1173073138.db2.gz CHNVBFWPXOFASN-MRVPVSSYSA-N -1 3 258.285 1.577 20 30 CDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC001588649430 1173092641 /nfs/dbraw/zinc/09/26/41/1173092641.db2.gz NEMHKDIZQABYOS-UHFFFAOYSA-N -1 3 273.296 1.621 20 30 CDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC001588649430 1173092647 /nfs/dbraw/zinc/09/26/47/1173092647.db2.gz NEMHKDIZQABYOS-UHFFFAOYSA-N -1 3 273.296 1.621 20 30 CDEDHM C=CCO[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001588665152 1173095243 /nfs/dbraw/zinc/09/52/43/1173095243.db2.gz GKZCIVDPFIKDBW-JTQLQIEISA-N -1 3 272.312 1.043 20 30 CDEDHM C=CCO[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001588665152 1173095252 /nfs/dbraw/zinc/09/52/52/1173095252.db2.gz GKZCIVDPFIKDBW-JTQLQIEISA-N -1 3 272.312 1.043 20 30 CDEDHM C[C@@H](C#N)CN(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588930720 1173115690 /nfs/dbraw/zinc/11/56/90/1173115690.db2.gz IKRPNFMTGPYHNP-NSHDSACASA-N -1 3 298.350 1.417 20 30 CDEDHM C[C@@H](C#N)CN(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588930720 1173115691 /nfs/dbraw/zinc/11/56/91/1173115691.db2.gz IKRPNFMTGPYHNP-NSHDSACASA-N -1 3 298.350 1.417 20 30 CDEDHM C[C@@H](C#N)CN(C(=O)c1cc(-c2nnn[n-]2)ccn1)C1CC1 ZINC001588930988 1173115898 /nfs/dbraw/zinc/11/58/98/1173115898.db2.gz OXJKTLQUUYTVLB-VIFPVBQESA-N -1 3 297.322 1.026 20 30 CDEDHM C[C@@H](C#N)CN(C(=O)c1cc(-c2nn[n-]n2)ccn1)C1CC1 ZINC001588930988 1173115903 /nfs/dbraw/zinc/11/59/03/1173115903.db2.gz OXJKTLQUUYTVLB-VIFPVBQESA-N -1 3 297.322 1.026 20 30 CDEDHM CC(C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589721254 1173170437 /nfs/dbraw/zinc/17/04/37/1173170437.db2.gz UZTMCPAUXNSYIA-LBPRGKRZSA-N -1 3 284.323 1.074 20 30 CDEDHM CC(C)n1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001589781646 1173180083 /nfs/dbraw/zinc/18/00/83/1173180083.db2.gz AZIWXASDGAYIIX-UHFFFAOYSA-N -1 3 297.326 1.485 20 30 CDEDHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@](C)(C#N)C1 ZINC001590040043 1173238282 /nfs/dbraw/zinc/23/82/82/1173238282.db2.gz QRAJZHBQFUEFIO-XHDPSFHLSA-N -1 3 298.350 1.542 20 30 CDEDHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@](C)(C#N)C1 ZINC001590040043 1173238287 /nfs/dbraw/zinc/23/82/87/1173238287.db2.gz QRAJZHBQFUEFIO-XHDPSFHLSA-N -1 3 298.350 1.542 20 30 CDEDHM C[C@]1(C#N)CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590053840 1173241062 /nfs/dbraw/zinc/24/10/62/1173241062.db2.gz GETXINWHCSWTHO-DZGCQCFKSA-N -1 3 298.350 1.136 20 30 CDEDHM C[C@H]1COCC[C@@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590324070 1173353268 /nfs/dbraw/zinc/35/32/68/1173353268.db2.gz MZORLMACENPQDZ-CABZTGNLSA-N -1 3 284.323 1.575 20 30 CDEDHM C[C@H]1COCC[C@@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590324070 1173353274 /nfs/dbraw/zinc/35/32/74/1173353274.db2.gz MZORLMACENPQDZ-CABZTGNLSA-N -1 3 284.323 1.575 20 30 CDEDHM CCc1noc([C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001590934141 1173545938 /nfs/dbraw/zinc/54/59/38/1173545938.db2.gz BVIAIIQWJCRCHC-NSHDSACASA-N -1 3 295.306 1.662 20 30 CDEDHM CCc1noc([C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001590934141 1173545942 /nfs/dbraw/zinc/54/59/42/1173545942.db2.gz BVIAIIQWJCRCHC-NSHDSACASA-N -1 3 295.306 1.662 20 30 CDEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC001590992126 1173558497 /nfs/dbraw/zinc/55/84/97/1173558497.db2.gz GBWQEOBBPAZJKM-CHWSQXEVSA-N -1 3 296.334 1.631 20 30 CDEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC001590992126 1173558506 /nfs/dbraw/zinc/55/85/06/1173558506.db2.gz GBWQEOBBPAZJKM-CHWSQXEVSA-N -1 3 296.334 1.631 20 30 CDEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)CC#N ZINC001591222169 1173593065 /nfs/dbraw/zinc/59/30/65/1173593065.db2.gz DTJYGYVWSFQKON-MRVPVSSYSA-N -1 3 285.311 1.397 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(NCC#C[C@H]2CCCCO2)n1 ZINC001591857246 1173720164 /nfs/dbraw/zinc/72/01/64/1173720164.db2.gz GGYHUOKOYGVXCN-CYBMUJFWSA-N -1 3 298.350 1.555 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(NCC#C[C@H]2CCCCO2)n1 ZINC001591857246 1173720166 /nfs/dbraw/zinc/72/01/66/1173720166.db2.gz GGYHUOKOYGVXCN-CYBMUJFWSA-N -1 3 298.350 1.555 20 30 CDEDHM N#Cc1cnnc(Sc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001592704124 1173977468 /nfs/dbraw/zinc/97/74/68/1173977468.db2.gz WIYAMCZMMBDKCP-UHFFFAOYSA-N -1 3 299.294 1.819 20 30 CDEDHM N#Cc1cnnc(Sc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001592704124 1173977472 /nfs/dbraw/zinc/97/74/72/1173977472.db2.gz WIYAMCZMMBDKCP-UHFFFAOYSA-N -1 3 299.294 1.819 20 30 CDEDHM N#CCCC[C@H](N)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001601067442 1174726016 /nfs/dbraw/zinc/72/60/16/1174726016.db2.gz WUNCRJWEXVXNNZ-RYUDHWBXSA-N -1 3 293.298 1.089 20 30 CDEDHM O=C([O-])c1cc(N=NC2CCN(CCO)CC2)ccc1F ZINC001602286584 1175194463 /nfs/dbraw/zinc/19/44/63/1175194463.db2.gz MDYAYEWQNUTVFO-UHFFFAOYSA-N -1 3 295.314 1.380 20 30 CDEDHM C#CC[C@@H](NCc1ccnc(Cl)c1F)C(=O)[O-] ZINC001602694767 1175361118 /nfs/dbraw/zinc/36/11/18/1175361118.db2.gz RGGNCTMATHPVMR-MRVPVSSYSA-N -1 3 256.664 1.440 20 30 CDEDHM C=C[C@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602798557 1175405841 /nfs/dbraw/zinc/40/58/41/1175405841.db2.gz PIQHYZLZUJQEOM-GWCFXTLKSA-N -1 3 296.334 1.240 20 30 CDEDHM C=CCCC1(CNC(=O)[C@H](N)CCC(=O)[O-])CCCC1 ZINC001602856693 1175436459 /nfs/dbraw/zinc/43/64/59/1175436459.db2.gz FRCLINFUDFLGQD-GFCCVEGCSA-N -1 3 282.384 1.821 20 30 CDEDHM C=CCOC[C@@H](NCc1cccc(OC)c1F)C(=O)[O-] ZINC001602914853 1175450970 /nfs/dbraw/zinc/45/09/70/1175450970.db2.gz IITJWVXPAULTDT-LLVKDONJSA-N -1 3 283.299 1.580 20 30 CDEDHM CC(C)(C#N)CNc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001603034497 1175479448 /nfs/dbraw/zinc/47/94/48/1175479448.db2.gz FHVQXVFVBLVOJX-UHFFFAOYSA-N -1 3 294.322 1.772 20 30 CDEDHM CC(C)(C#N)CNc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001603034497 1175479451 /nfs/dbraw/zinc/47/94/51/1175479451.db2.gz FHVQXVFVBLVOJX-UHFFFAOYSA-N -1 3 294.322 1.772 20 30 CDEDHM COC(=O)[C@H]1CCN(CC2(CC#N)CC2)[C@H](C(=O)[O-])C1 ZINC001606409320 1163891391 /nfs/dbraw/zinc/89/13/91/1163891391.db2.gz FURXDTUJVJQTQS-QWRGUYRKSA-N -1 3 280.324 1.018 20 30 CDEDHM N#CCCC[C@H](N)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001608179870 1164438701 /nfs/dbraw/zinc/43/87/01/1164438701.db2.gz BVIANESUQLIJBC-CYDGBPFRSA-N -1 3 293.367 1.109 20 30 CDEDHM C[C@@H](CC#N)N(C)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001609108081 1164773534 /nfs/dbraw/zinc/77/35/34/1164773534.db2.gz AJCGUFLPEVCFDR-VIFPVBQESA-N -1 3 274.303 1.740 20 30 CDEDHM C[C@@H](CC#N)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001609108081 1164773540 /nfs/dbraw/zinc/77/35/40/1164773540.db2.gz AJCGUFLPEVCFDR-VIFPVBQESA-N -1 3 274.303 1.740 20 30 CDEDHM CCN(Cc1ccncc1-c1nnn[n-]1)C[C@@H](C)C#N ZINC001609225378 1164854213 /nfs/dbraw/zinc/85/42/13/1164854213.db2.gz ICRBMFIYZVNXFH-JTQLQIEISA-N -1 3 271.328 1.243 20 30 CDEDHM CCN(Cc1ccncc1-c1nn[n-]n1)C[C@@H](C)C#N ZINC001609225378 1164854217 /nfs/dbraw/zinc/85/42/17/1164854217.db2.gz ICRBMFIYZVNXFH-JTQLQIEISA-N -1 3 271.328 1.243 20 30 CDEDHM Cc1cc(OC(=O)CCCC#N)ccc1-c1nnn[n-]1 ZINC001609410080 1164936770 /nfs/dbraw/zinc/93/67/70/1164936770.db2.gz KBUXWKXKXHXMHM-UHFFFAOYSA-N -1 3 271.280 1.774 20 30 CDEDHM Cc1cc(OC(=O)CCCC#N)ccc1-c1nn[n-]n1 ZINC001609410080 1164936775 /nfs/dbraw/zinc/93/67/75/1164936775.db2.gz KBUXWKXKXHXMHM-UHFFFAOYSA-N -1 3 271.280 1.774 20 30 CDEDHM Cc1cc(C(F)(F)F)ccc1C=NN1CC(=O)[N-]C1=O ZINC000785451000 837440486 /nfs/dbraw/zinc/44/04/86/837440486.db2.gz OVMMHHZTLNCKIH-UHFFFAOYSA-N -1 3 285.225 1.900 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc2ncccc2c1 ZINC000816758347 837448918 /nfs/dbraw/zinc/44/89/18/837448918.db2.gz NNAQQSXIXORGAD-ZDUSSCGKSA-N -1 3 285.303 1.345 20 30 CDEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000848130435 837547387 /nfs/dbraw/zinc/54/73/87/837547387.db2.gz JYAMIYMMZFKOSG-KXNHARMFSA-N -1 3 264.325 1.085 20 30 CDEDHM COCCCON=Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000795053221 837833644 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N#Cc1ccc(CCNC(=O)c2cc(=O)[n-]cn2)cc1 ZINC001632774813 1166376821 /nfs/dbraw/zinc/37/68/21/1166376821.db2.gz HFVKZAYOOMEGST-UHFFFAOYSA-N -1 3 268.276 1.026 20 30 CDEDHM N#Cc1cccc(O[N-]C(=O)CCc2cnc(N)s2)c1 ZINC001580078410 1172343257 /nfs/dbraw/zinc/34/32/57/1172343257.db2.gz XDQYWEYFSCLJHI-UHFFFAOYSA-N -1 3 288.332 1.640 20 30 CDEDHM C#C[C@H](C)NC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588325995 1173024637 /nfs/dbraw/zinc/02/46/37/1173024637.db2.gz BCBSXUYKGICRKS-VIFPVBQESA-N -1 3 296.334 1.887 20 30 CDEDHM C#C[C@H](C)NC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588325995 1173024646 /nfs/dbraw/zinc/02/46/46/1173024646.db2.gz BCBSXUYKGICRKS-VIFPVBQESA-N -1 3 296.334 1.887 20 30 CDEDHM C#C[C@H](C)N(C)c1nc2ncccc2cc1-c1nnn[n-]1 ZINC001588325394 1173025540 /nfs/dbraw/zinc/02/55/40/1173025540.db2.gz KMZKTTOXUPZUJU-VIFPVBQESA-N -1 3 279.307 1.268 20 30 CDEDHM C#C[C@H](C)N(C)c1nc2ncccc2cc1-c1nn[n-]n1 ZINC001588325394 1173025551 /nfs/dbraw/zinc/02/55/51/1173025551.db2.gz KMZKTTOXUPZUJU-VIFPVBQESA-N -1 3 279.307 1.268 20 30 CDEDHM C#C[C@H](CC)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588326237 1173028165 /nfs/dbraw/zinc/02/81/65/1173028165.db2.gz HOOPFBBBYHCJOT-WDEREUQCSA-N -1 3 299.334 1.162 20 30 CDEDHM C#C[C@H](CC)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588326237 1173028170 /nfs/dbraw/zinc/02/81/70/1173028170.db2.gz HOOPFBBBYHCJOT-WDEREUQCSA-N -1 3 299.334 1.162 20 30 CDEDHM C#C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Br ZINC001588326407 1173028184 /nfs/dbraw/zinc/02/81/84/1173028184.db2.gz LHLHBTDKPATILM-ZCFIWIBFSA-N -1 3 293.128 1.458 20 30 CDEDHM C#C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Br ZINC001588326407 1173028189 /nfs/dbraw/zinc/02/81/89/1173028189.db2.gz LHLHBTDKPATILM-ZCFIWIBFSA-N -1 3 293.128 1.458 20 30 CDEDHM C#C[C@@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588330295 1173035216 /nfs/dbraw/zinc/03/52/16/1173035216.db2.gz YSSYXLYBQZPECG-GFCCVEGCSA-N -1 3 298.350 1.348 20 30 CDEDHM C#C[C@@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588330295 1173035225 /nfs/dbraw/zinc/03/52/25/1173035225.db2.gz YSSYXLYBQZPECG-GFCCVEGCSA-N -1 3 298.350 1.348 20 30 CDEDHM C#CCCNC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588347150 1173047457 /nfs/dbraw/zinc/04/74/57/1173047457.db2.gz MOFXKHPJWGTSQG-UHFFFAOYSA-N -1 3 281.319 1.038 20 30 CDEDHM C#CCCNC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588347150 1173047464 /nfs/dbraw/zinc/04/74/64/1173047464.db2.gz MOFXKHPJWGTSQG-UHFFFAOYSA-N -1 3 281.319 1.038 20 30 CDEDHM C#CCN(CC)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588350131 1173051727 /nfs/dbraw/zinc/05/17/27/1173051727.db2.gz DGJLXLHVCCCFSJ-UHFFFAOYSA-N -1 3 286.295 1.230 20 30 CDEDHM C#CCN(CC)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588350131 1173051733 /nfs/dbraw/zinc/05/17/33/1173051733.db2.gz DGJLXLHVCCCFSJ-UHFFFAOYSA-N -1 3 286.295 1.230 20 30 CDEDHM C=C[C@@H](O)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588526444 1173075454 /nfs/dbraw/zinc/07/54/54/1173075454.db2.gz WPHZILCKXXJIIN-GZMMTYOYSA-N -1 3 274.280 1.018 20 30 CDEDHM C=C[C@@H](O)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588526444 1173075459 /nfs/dbraw/zinc/07/54/59/1173075459.db2.gz WPHZILCKXXJIIN-GZMMTYOYSA-N -1 3 274.280 1.018 20 30 CDEDHM C=CCCC(=O)OCc1ccc(-c2nnn[n-]2)s1 ZINC001588576153 1173082277 /nfs/dbraw/zinc/08/22/77/1173082277.db2.gz HEBSEDOECNFALU-UHFFFAOYSA-N -1 3 264.310 1.938 20 30 CDEDHM C=CCCN[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588609283 1173089393 /nfs/dbraw/zinc/08/93/93/1173089393.db2.gz LUHILBWANOVMQM-GFCCVEGCSA-N -1 3 287.323 1.247 20 30 CDEDHM C=CCCN[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588609283 1173089396 /nfs/dbraw/zinc/08/93/96/1173089396.db2.gz LUHILBWANOVMQM-GFCCVEGCSA-N -1 3 287.323 1.247 20 30 CDEDHM CC#CC[C@@H](CO)Nc1cccc(Cl)c1-c1nnn[n-]1 ZINC001588738095 1173101585 /nfs/dbraw/zinc/10/15/85/1173101585.db2.gz KOGATPFVWJJMQK-VIFPVBQESA-N -1 3 291.742 1.706 20 30 CDEDHM CC#CC[C@@H](CO)Nc1cccc(Cl)c1-c1nn[n-]n1 ZINC001588738095 1173101591 /nfs/dbraw/zinc/10/15/91/1173101591.db2.gz KOGATPFVWJJMQK-VIFPVBQESA-N -1 3 291.742 1.706 20 30 CDEDHM CC#CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC ZINC001588738156 1173102190 /nfs/dbraw/zinc/10/21/90/1173102190.db2.gz LLYGPFLCMUWTGP-UHFFFAOYSA-N -1 3 284.323 1.650 20 30 CDEDHM CC(=NOCC1CCC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001588782032 1173105013 /nfs/dbraw/zinc/10/50/13/1173105013.db2.gz ORWLUPKNMFBOAG-UHFFFAOYSA-N -1 3 272.312 1.802 20 30 CDEDHM CC(=NOCC1CCC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001588782032 1173105017 /nfs/dbraw/zinc/10/50/17/1173105017.db2.gz ORWLUPKNMFBOAG-UHFFFAOYSA-N -1 3 272.312 1.802 20 30 CDEDHM CC(C)(C#N)CCOC(=O)c1cnccc1-c1nnn[n-]1 ZINC001589033245 1173120716 /nfs/dbraw/zinc/12/07/16/1173120716.db2.gz BFHDZNIARBOYMY-UHFFFAOYSA-N -1 3 286.295 1.358 20 30 CDEDHM CC(C)(C#N)CCOC(=O)c1cnccc1-c1nn[n-]n1 ZINC001589033245 1173120720 /nfs/dbraw/zinc/12/07/20/1173120720.db2.gz BFHDZNIARBOYMY-UHFFFAOYSA-N -1 3 286.295 1.358 20 30 CDEDHM C[C@H](CC#N)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589787421 1173182184 /nfs/dbraw/zinc/18/21/84/1173182184.db2.gz KNGNEYRMYZGPAD-ZCFIWIBFSA-N -1 3 291.246 1.628 20 30 CDEDHM C[C@H](CC#N)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589787421 1173182188 /nfs/dbraw/zinc/18/21/88/1173182188.db2.gz KNGNEYRMYZGPAD-ZCFIWIBFSA-N -1 3 291.246 1.628 20 30 CDEDHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)n1C)C(C)(C)C#N ZINC001590012743 1173235023 /nfs/dbraw/zinc/23/50/23/1173235023.db2.gz HGYAMGFAKRFLGO-QMMMGPOBSA-N -1 3 288.311 1.300 20 30 CDEDHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)n1C)C(C)(C)C#N ZINC001590012743 1173235026 /nfs/dbraw/zinc/23/50/26/1173235026.db2.gz HGYAMGFAKRFLGO-QMMMGPOBSA-N -1 3 288.311 1.300 20 30 CDEDHM CC1(C)CN(c2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001590105517 1173258571 /nfs/dbraw/zinc/25/85/71/1173258571.db2.gz DDRZRNILLUJLCQ-UHFFFAOYSA-N -1 3 284.323 1.354 20 30 CDEDHM CC1(C)CN(c2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001590105517 1173258579 /nfs/dbraw/zinc/25/85/79/1173258579.db2.gz DDRZRNILLUJLCQ-UHFFFAOYSA-N -1 3 284.323 1.354 20 30 CDEDHM C[C@H]1O[C@@H](C)CC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001590181182 1173281025 /nfs/dbraw/zinc/28/10/25/1173281025.db2.gz LZOWOBKDUKQLNL-DTWKUNHWSA-N -1 3 272.312 1.832 20 30 CDEDHM C[C@H]1O[C@@H](C)CC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001590181182 1173281026 /nfs/dbraw/zinc/28/10/26/1173281026.db2.gz LZOWOBKDUKQLNL-DTWKUNHWSA-N -1 3 272.312 1.832 20 30 CDEDHM CC[C@](C)(C#N)NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001590371517 1173379269 /nfs/dbraw/zinc/37/92/69/1173379269.db2.gz CBYJVIGXFGRYCF-OAHLLOKOSA-N -1 3 298.350 1.906 20 30 CDEDHM CC[C@](C)(C#N)NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001590371517 1173379272 /nfs/dbraw/zinc/37/92/72/1173379272.db2.gz CBYJVIGXFGRYCF-OAHLLOKOSA-N -1 3 298.350 1.906 20 30 CDEDHM CCC[C@@H](O)CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590559559 1173462521 /nfs/dbraw/zinc/46/25/21/1173462521.db2.gz IBCGIAMFACKEGV-LLVKDONJSA-N -1 3 286.339 1.701 20 30 CDEDHM CCC[C@@H](O)CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590559559 1173462525 /nfs/dbraw/zinc/46/25/25/1173462525.db2.gz IBCGIAMFACKEGV-LLVKDONJSA-N -1 3 286.339 1.701 20 30 CDEDHM Cc1c(NC(=O)c2coc(C#N)c2)cccc1-c1nnn[n-]1 ZINC001591829267 1173712682 /nfs/dbraw/zinc/71/26/82/1173712682.db2.gz YBVNAWRGOQBYDK-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1c(NC(=O)c2coc(C#N)c2)cccc1-c1nn[n-]n1 ZINC001591829267 1173712686 /nfs/dbraw/zinc/71/26/86/1173712686.db2.gz YBVNAWRGOQBYDK-UHFFFAOYSA-N -1 3 294.274 1.892 20 30 CDEDHM Cc1cc2c(NC(=O)[C@H](C)C#N)n[nH]c2cc1-c1nnn[n-]1 ZINC001592069985 1173793170 /nfs/dbraw/zinc/79/31/70/1173793170.db2.gz HBACSQOLSAMWSE-SSDOTTSWSA-N -1 3 296.294 1.150 20 30 CDEDHM Cc1cc2c(NC(=O)[C@H](C)C#N)n[nH]c2cc1-c1nn[n-]n1 ZINC001592069985 1173793174 /nfs/dbraw/zinc/79/31/74/1173793174.db2.gz HBACSQOLSAMWSE-SSDOTTSWSA-N -1 3 296.294 1.150 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1[C@@H]1CCCC(C)(C)C1=O ZINC001592341211 1173862573 /nfs/dbraw/zinc/86/25/73/1173862573.db2.gz SBEJQGQAMZBHKM-SNVBAGLBSA-N -1 3 299.338 1.564 20 30 CDEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1[C@@H]1CCCC(C)(C)C1=O ZINC001592341211 1173862577 /nfs/dbraw/zinc/86/25/77/1173862577.db2.gz SBEJQGQAMZBHKM-SNVBAGLBSA-N -1 3 299.338 1.564 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCCC1CC1 ZINC001592341024 1173862971 /nfs/dbraw/zinc/86/29/71/1173862971.db2.gz OCHSGQYEOFGKKU-UHFFFAOYSA-N -1 3 257.301 1.434 20 30 CDEDHM Cc1nn(C)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592432036 1173886548 /nfs/dbraw/zinc/88/65/48/1173886548.db2.gz ORZFTLPMMFGOLD-VMPITWQZSA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1nn(C)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592432036 1173886552 /nfs/dbraw/zinc/88/65/52/1173886552.db2.gz ORZFTLPMMFGOLD-VMPITWQZSA-N -1 3 294.318 1.805 20 30 CDEDHM N#CC1(CNC(=O)c2sccc2-c2nnn[n-]2)CCC1 ZINC001592669424 1173960660 /nfs/dbraw/zinc/96/06/60/1173960660.db2.gz IECHAPNKCAPPBD-UHFFFAOYSA-N -1 3 288.336 1.352 20 30 CDEDHM N#CC1(CNC(=O)c2sccc2-c2nn[n-]n2)CCC1 ZINC001592669424 1173960664 /nfs/dbraw/zinc/96/06/64/1173960664.db2.gz IECHAPNKCAPPBD-UHFFFAOYSA-N -1 3 288.336 1.352 20 30 CDEDHM N#CCc1cccc(Nc2cc(-c3nnn[n-]3)cnn2)c1 ZINC001592680364 1173969407 /nfs/dbraw/zinc/96/94/07/1173969407.db2.gz YAMJAWXSRKRQQV-UHFFFAOYSA-N -1 3 278.279 1.466 20 30 CDEDHM N#CCc1cccc(Nc2cc(-c3nn[n-]n3)cnn2)c1 ZINC001592680364 1173969409 /nfs/dbraw/zinc/96/94/09/1173969409.db2.gz YAMJAWXSRKRQQV-UHFFFAOYSA-N -1 3 278.279 1.466 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC2(C1)CCOCC2 ZINC001592698110 1173975490 /nfs/dbraw/zinc/97/54/90/1173975490.db2.gz IJQQPJVABLLFLA-UHFFFAOYSA-N -1 3 296.334 1.355 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC2(C1)CCOCC2 ZINC001592698110 1173975494 /nfs/dbraw/zinc/97/54/94/1173975494.db2.gz IJQQPJVABLLFLA-UHFFFAOYSA-N -1 3 296.334 1.355 20 30 CDEDHM N#Cc1nc(N)n(Cc2ccccc2CF)c1-c1nnn[n-]1 ZINC001592704568 1173979152 /nfs/dbraw/zinc/97/91/52/1173979152.db2.gz JFOYGZQRPDEPNC-UHFFFAOYSA-N -1 3 298.285 1.035 20 30 CDEDHM N#Cc1nc(N)n(Cc2ccccc2CF)c1-c1nn[n-]n1 ZINC001592704568 1173979156 /nfs/dbraw/zinc/97/91/56/1173979156.db2.gz JFOYGZQRPDEPNC-UHFFFAOYSA-N -1 3 298.285 1.035 20 30 CDEDHM N#C[C@@H]1CC[C@@H](N[C@H]2CCCn3nc(C(=O)[O-])cc32)C1 ZINC001601059044 1174721334 /nfs/dbraw/zinc/72/13/34/1174721334.db2.gz BABMKGLKYNJSEC-MXWKQRLJSA-N -1 3 274.324 1.698 20 30 CDEDHM N#CCC[C@H](C#N)CN[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001601066172 1174726156 /nfs/dbraw/zinc/72/61/56/1174726156.db2.gz GKMNIJOJWZYMHK-UTUOFQBUSA-N -1 3 265.313 1.042 20 30 CDEDHM C#CC1(F)CN(C(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)C1 ZINC001602691030 1175358086 /nfs/dbraw/zinc/35/80/86/1175358086.db2.gz PTMARUNUGLTYCP-UHFFFAOYSA-N -1 3 299.309 1.281 20 30 CDEDHM C#CC1(F)CN(C(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)C1 ZINC001602691030 1175358094 /nfs/dbraw/zinc/35/80/94/1175358094.db2.gz PTMARUNUGLTYCP-UHFFFAOYSA-N -1 3 299.309 1.281 20 30 CDEDHM C#CCN1CCC(C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC001602721199 1175374264 /nfs/dbraw/zinc/37/42/64/1175374264.db2.gz ZWCUSNVQVBMBTA-UHFFFAOYSA-N -1 3 286.331 1.669 20 30 CDEDHM C=C(C)CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602762768 1175392570 /nfs/dbraw/zinc/39/25/70/1175392570.db2.gz HYTWVIFQEOZZSG-UHFFFAOYSA-N -1 3 257.297 1.102 20 30 CDEDHM C=C(C)CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602762768 1175392577 /nfs/dbraw/zinc/39/25/77/1175392577.db2.gz HYTWVIFQEOZZSG-UHFFFAOYSA-N -1 3 257.297 1.102 20 30 CDEDHM C=CCC(F)(F)C(=O)OCc1ccc(-c2nnn[n-]2)cn1 ZINC001602816783 1175414213 /nfs/dbraw/zinc/41/42/13/1175414213.db2.gz VFYOSDLURWLFHH-UHFFFAOYSA-N -1 3 295.249 1.516 20 30 CDEDHM C=CCC(F)(F)C(=O)OCc1ccc(-c2nn[n-]n2)cn1 ZINC001602816783 1175414222 /nfs/dbraw/zinc/41/42/22/1175414222.db2.gz VFYOSDLURWLFHH-UHFFFAOYSA-N -1 3 295.249 1.516 20 30 CDEDHM C=CC[C@@H](C(=O)OC)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001602836491 1175426039 /nfs/dbraw/zinc/42/60/39/1175426039.db2.gz VDEQHSKQXRTCGS-GXFFZTMASA-N -1 3 255.314 1.291 20 30 CDEDHM C=CCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001602839935 1175428352 /nfs/dbraw/zinc/42/83/52/1175428352.db2.gz MPLNHEBLBOLJSO-UHFFFAOYSA-N -1 3 275.287 1.702 20 30 CDEDHM C=CCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001602839935 1175428355 /nfs/dbraw/zinc/42/83/55/1175428355.db2.gz MPLNHEBLBOLJSO-UHFFFAOYSA-N -1 3 275.287 1.702 20 30 CDEDHM CC(=NOC[C@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC001602911351 1175449248 /nfs/dbraw/zinc/44/92/48/1175449248.db2.gz CHEUCPWVDPDJBN-NSHDSACASA-N -1 3 287.323 1.644 20 30 CDEDHM CC(=NOC[C@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC001602911351 1175449250 /nfs/dbraw/zinc/44/92/50/1175449250.db2.gz CHEUCPWVDPDJBN-NSHDSACASA-N -1 3 287.323 1.644 20 30 CDEDHM C[C@H](NC(=O)C(C)(C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001603602957 1175576521 /nfs/dbraw/zinc/57/65/21/1175576521.db2.gz GDZOBBXCSFXMDZ-VIFPVBQESA-N -1 3 284.323 1.594 20 30 CDEDHM C[C@H](NC(=O)C(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001603602957 1175576527 /nfs/dbraw/zinc/57/65/27/1175576527.db2.gz GDZOBBXCSFXMDZ-VIFPVBQESA-N -1 3 284.323 1.594 20 30 CDEDHM C[C@H]1CCN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@@H]1F ZINC001603912474 1175682115 /nfs/dbraw/zinc/68/21/15/1175682115.db2.gz RKGSPBJNWHIZCL-CABZTGNLSA-N -1 3 286.314 1.923 20 30 CDEDHM C[C@H]1CCN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@@H]1F ZINC001603912474 1175682122 /nfs/dbraw/zinc/68/21/22/1175682122.db2.gz RKGSPBJNWHIZCL-CABZTGNLSA-N -1 3 286.314 1.923 20 30 CDEDHM N#CC[C@@H]1CCCN(S(=O)(=O)c2ccc([O-])cc2)C1 ZINC001195784040 1164404689 /nfs/dbraw/zinc/40/46/89/1164404689.db2.gz AFBQBXPGGLSUOT-NSHDSACASA-N -1 3 280.349 1.707 20 30 CDEDHM N#CC[C@H]1CCCN(S(=O)(=O)c2ccc([O-])cc2)C1 ZINC001195784039 1164404729 /nfs/dbraw/zinc/40/47/29/1164404729.db2.gz AFBQBXPGGLSUOT-LLVKDONJSA-N -1 3 280.349 1.707 20 30 CDEDHM C=C[C@H](N[C@@H](CC)c1cccc(S(N)(=O)=O)c1)C(=O)[O-] ZINC001609266822 1164873478 /nfs/dbraw/zinc/87/34/78/1164873478.db2.gz DBZHDMXGQPZVKH-RYUDHWBXSA-N -1 3 298.364 1.014 20 30 CDEDHM CN(CCC#N)C(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001609274184 1164876091 /nfs/dbraw/zinc/87/60/91/1164876091.db2.gz CMOXLQKADQWXOX-UHFFFAOYSA-N -1 3 290.714 1.506 20 30 CDEDHM CN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001609274184 1164876097 /nfs/dbraw/zinc/87/60/97/1164876097.db2.gz CMOXLQKADQWXOX-UHFFFAOYSA-N -1 3 290.714 1.506 20 30 CDEDHM C=C(C)CO[N-]C(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000846531947 844053642 /nfs/dbraw/zinc/05/36/42/844053642.db2.gz JFPJGULIVUZJBZ-UHFFFAOYSA-N -1 3 293.371 1.638 20 30 CDEDHM O=C(C[C@@H]1CCc2ccccc21)N[C@H]1CCCN([O-])C1=O ZINC000848136012 844067602 /nfs/dbraw/zinc/06/76/02/844067602.db2.gz KPOYWBXXSAZJBM-JSGCOSHPSA-N -1 3 288.347 1.603 20 30 CDEDHM O=C(CCc1ccccc1)N[C@H]1CCCN([O-])C1=O ZINC000816755019 844080875 /nfs/dbraw/zinc/08/08/75/844080875.db2.gz RGHYKNRVKZABNL-LBPRGKRZSA-N -1 3 262.309 1.116 20 30 CDEDHM Cc1ccnc(NCCCCC#N)c1-c1nnn[n-]1 ZINC000826313589 844127976 /nfs/dbraw/zinc/12/79/76/844127976.db2.gz MKAJUBGFKMNURM-UHFFFAOYSA-N -1 3 257.301 1.676 20 30 CDEDHM Cc1ccnc(NCCCCC#N)c1-c1nn[n-]n1 ZINC000826313589 844128013 /nfs/dbraw/zinc/12/80/13/844128013.db2.gz MKAJUBGFKMNURM-UHFFFAOYSA-N -1 3 257.301 1.676 20 30 CDEDHM C[C@@H]1C(=O)CC[C@H](C(=O)N[C@H]2CCCN([O-])C2=O)C1(C)C ZINC000848134077 844152570 /nfs/dbraw/zinc/15/25/70/844152570.db2.gz NGJAVQQMOHMMGH-MXWKQRLJSA-N -1 3 296.367 1.124 20 30 CDEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000846551020 844244798 /nfs/dbraw/zinc/24/47/98/844244798.db2.gz PUUBIBWYUBHZAF-UWVGGRQHSA-N -1 3 280.290 1.883 20 30 CDEDHM C#CC[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000845799294 846921786 /nfs/dbraw/zinc/92/17/86/846921786.db2.gz NILGMNBGESCVTB-UHFFFAOYSA-N -1 3 294.195 1.731 20 30 CDEDHM CS[C@@H](C)CCC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848134966 844398910 /nfs/dbraw/zinc/39/89/10/844398910.db2.gz HCLRMEYOXUXLQI-DTWKUNHWSA-N -1 3 260.359 1.015 20 30 CDEDHM Cc1ncc(CO)c(/C=N\[C@H](C)[C@H]2CCCOC2)c1[O-] ZINC000779706830 844454780 /nfs/dbraw/zinc/45/47/80/844454780.db2.gz INTISNKGJYQBRN-OKSQBZAQSA-N -1 3 278.352 1.822 20 30 CDEDHM O=C1CN(N=Cc2ncc(-c3ccccc3)s2)C(=O)[N-]1 ZINC000811635568 844537495 /nfs/dbraw/zinc/53/74/95/844537495.db2.gz CDBQPXDETKTDSZ-UHFFFAOYSA-N -1 3 286.316 1.696 20 30 CDEDHM C#CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000717769193 844603157 /nfs/dbraw/zinc/60/31/57/844603157.db2.gz DBSGXCIQWLJSPZ-ZETCQYMHSA-N -1 3 279.770 1.064 20 30 CDEDHM C#CCC[C@H](O)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000799071931 844626623 /nfs/dbraw/zinc/62/66/23/844626623.db2.gz WSVSRYIDBVYMNY-ZDUSSCGKSA-N -1 3 293.338 1.745 20 30 CDEDHM N#CC1(CS(=O)(=O)[N-]Cc2ncccn2)CCCCC1 ZINC000851816414 843205783 /nfs/dbraw/zinc/20/57/83/843205783.db2.gz GHOCUDHIHVDMRE-UHFFFAOYSA-N -1 3 294.380 1.370 20 30 CDEDHM CCCO[N-]C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000844087585 843310781 /nfs/dbraw/zinc/31/07/81/843310781.db2.gz BTEMWHBHLWAOPF-LBPRGKRZSA-N -1 3 291.326 1.981 20 30 CDEDHM O=C(Cc1cc(F)ccc1F)N[C@@H]1CCCN([O-])C1=O ZINC000816753518 843388262 /nfs/dbraw/zinc/38/82/62/843388262.db2.gz JUDPJJCUFMTNPQ-LLVKDONJSA-N -1 3 284.262 1.004 20 30 CDEDHM Cc1ncc(CO)c(/C=N\[C@H](C)Cc2cnn(C)c2)c1[O-] ZINC000840710381 843644148 /nfs/dbraw/zinc/64/41/48/843644148.db2.gz RVXWZXQKMFAPGF-SMUOPJFFSA-N -1 3 288.351 1.372 20 30 CDEDHM COC[C@H](C#N)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000785186616 843661754 /nfs/dbraw/zinc/66/17/54/843661754.db2.gz GESZKFITDAWPBC-VIFPVBQESA-N -1 3 275.264 1.674 20 30 CDEDHM COC[C@H](C#N)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000785186616 843661765 /nfs/dbraw/zinc/66/17/65/843661765.db2.gz GESZKFITDAWPBC-VIFPVBQESA-N -1 3 275.264 1.674 20 30 CDEDHM Cc1cccc2cc(C(=O)N[C@H]3CCCN([O-])C3=O)oc21 ZINC000848137857 843808600 /nfs/dbraw/zinc/80/86/00/843808600.db2.gz GXDFAODRBUOKDU-NSHDSACASA-N -1 3 288.303 1.851 20 30 CDEDHM C#CCCN1C[C@@H](NC(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001071454330 843824416 /nfs/dbraw/zinc/82/44/16/843824416.db2.gz KAYVQKRBQJIUPU-STQMWFEESA-N -1 3 287.363 1.393 20 30 CDEDHM C=C(C)CO[N-]C(=O)CCCc1nc(CCC)no1 ZINC000846538865 844638493 /nfs/dbraw/zinc/63/84/93/844638493.db2.gz WHYKJKYABXHZHY-UHFFFAOYSA-N -1 3 267.329 1.969 20 30 CDEDHM CNC(=O)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255233515 844735842 /nfs/dbraw/zinc/73/58/42/844735842.db2.gz NDDUPZLRAPKQBM-UHFFFAOYSA-N -1 3 286.287 1.914 20 30 CDEDHM C=CCO[N-]C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000837047377 844839220 /nfs/dbraw/zinc/83/92/20/844839220.db2.gz HWWSLXRGHHPLSP-UHFFFAOYSA-N -1 3 287.319 1.901 20 30 CDEDHM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCc3n[nH]nc32)c1 ZINC000831271749 844953006 /nfs/dbraw/zinc/95/30/06/844953006.db2.gz LPULAQCZHAHMNN-SECBINFHSA-N -1 3 283.291 1.441 20 30 CDEDHM C=CCCN1CC(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001030490375 845066244 /nfs/dbraw/zinc/06/62/44/845066244.db2.gz XWDKASUMWZZEGL-UHFFFAOYSA-N -1 3 288.351 1.050 20 30 CDEDHM Cc1cccc(OCCC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000820471559 845094259 /nfs/dbraw/zinc/09/42/59/845094259.db2.gz ZHPYNNUSFDNJGV-CYBMUJFWSA-N -1 3 292.335 1.260 20 30 CDEDHM C[C@@H]1COC(=O)C1=N[N-]c1ccccc1S(C)(=O)=O ZINC000794912461 845231459 /nfs/dbraw/zinc/23/14/59/845231459.db2.gz FKDODKCKLMACMZ-MRVPVSSYSA-N -1 3 282.321 1.051 20 30 CDEDHM Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000816754892 845233895 /nfs/dbraw/zinc/23/38/95/845233895.db2.gz 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1.902 20 30 CDEDHM C=C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000819730280 606801992 /nfs/dbraw/zinc/80/19/92/606801992.db2.gz UYHHWKJLAFFARY-ZCFIWIBFSA-N -1 3 250.693 1.902 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@@H]2CC23CCC3)cc1-c1nnn[n-]1 ZINC000822830109 607144500 /nfs/dbraw/zinc/14/45/00/607144500.db2.gz UYIHBBPPFOIMPS-LBPRGKRZSA-N -1 3 294.318 1.867 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@@H]2CC23CCC3)cc1-c1nn[n-]n1 ZINC000822830109 607144502 /nfs/dbraw/zinc/14/45/02/607144502.db2.gz UYIHBBPPFOIMPS-LBPRGKRZSA-N -1 3 294.318 1.867 20 30 CDEDHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C#N ZINC000824712936 607806850 /nfs/dbraw/zinc/80/68/50/607806850.db2.gz FLLZCNJXFOHRLD-SNVBAGLBSA-N -1 3 299.334 1.891 20 30 CDEDHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C#N ZINC000824712936 607806851 /nfs/dbraw/zinc/80/68/51/607806851.db2.gz FLLZCNJXFOHRLD-SNVBAGLBSA-N -1 3 299.334 1.891 20 30 CDEDHM C(=NO[C@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000823868188 607889974 /nfs/dbraw/zinc/88/99/74/607889974.db2.gz 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1.355 20 30 CDEDHM C=C(C)C[C@@H](NC(=O)[C@H]1CCCN1C(C)C)C(=O)[O-] ZINC000910295778 629005246 /nfs/dbraw/zinc/00/52/46/629005246.db2.gz XOLZUNHOFYIGPN-VXGBXAGGSA-N -1 3 268.357 1.395 20 30 CDEDHM COc1cccc([O-])c1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000911288641 629233214 /nfs/dbraw/zinc/23/32/14/629233214.db2.gz QAAUEBMXBXDLBE-VHSXEESVSA-N -1 3 260.293 1.823 20 30 CDEDHM CCn1cc(C=NN2CC(=O)[N-]C2=O)c2ccccc21 ZINC000915048659 631634301 /nfs/dbraw/zinc/63/43/01/631634301.db2.gz JCVCRKITROSDBE-UHFFFAOYSA-N -1 3 270.292 1.547 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N(C)[C@@H](C)C#N ZINC001605510827 1163591979 /nfs/dbraw/zinc/59/19/79/1163591979.db2.gz JKCBMAKSRPVSCP-JTQLQIEISA-N -1 3 284.323 1.468 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N(C)[C@@H](C)C#N ZINC001605510827 1163591986 /nfs/dbraw/zinc/59/19/86/1163591986.db2.gz JKCBMAKSRPVSCP-JTQLQIEISA-N -1 3 284.323 1.468 20 30 CDEDHM Cc1cc(Cn2ccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001605671368 1163640317 /nfs/dbraw/zinc/64/03/17/1163640317.db2.gz 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C=CCN(CCC#N)c1ncc(-c2nn[n-]n2)cc1F ZINC001609055521 1164750106 /nfs/dbraw/zinc/75/01/06/1164750106.db2.gz GWMDULCUGBIXDA-UHFFFAOYSA-N -1 3 273.275 1.307 20 30 CDEDHM C[C@@H](C#N)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609068783 1164754159 /nfs/dbraw/zinc/75/41/59/1164754159.db2.gz WRRXGBCEEFSTLG-UCUJLANTSA-N -1 3 269.264 1.335 20 30 CDEDHM C[C@@H](C#N)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609068783 1164754163 /nfs/dbraw/zinc/75/41/63/1164754163.db2.gz WRRXGBCEEFSTLG-UCUJLANTSA-N -1 3 269.264 1.335 20 30 CDEDHM C[C@@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCOC1 ZINC001609142716 1164789180 /nfs/dbraw/zinc/78/91/80/1164789180.db2.gz JIIGGUNWGIOTFE-CQSZACIVSA-N -1 3 298.306 1.103 20 30 CDEDHM C[C@@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCOC1 ZINC001609142716 1164789189 /nfs/dbraw/zinc/78/91/89/1164789189.db2.gz JIIGGUNWGIOTFE-CQSZACIVSA-N -1 3 298.306 1.103 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)OCCCCC#N ZINC001609377622 1164916121 /nfs/dbraw/zinc/91/61/21/1164916121.db2.gz 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/nfs/dbraw/zinc/00/63/89/1165006389.db2.gz BCTOKSXQXAZDKX-VIZOYTHASA-N -1 3 280.291 1.586 20 30 CDEDHM Oc1ccccc1C=NCc1ccc(-c2nn[n-]n2)cn1 ZINC001609611444 1165006394 /nfs/dbraw/zinc/00/63/94/1165006394.db2.gz BCTOKSXQXAZDKX-VIZOYTHASA-N -1 3 280.291 1.586 20 30 CDEDHM N#CCCN(CCC#N)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001645916131 1167567366 /nfs/dbraw/zinc/56/73/66/1167567366.db2.gz PRXJYJUPZWIICD-UHFFFAOYSA-N -1 3 285.307 1.329 20 30 CDEDHM N#Cc1cncc(CN2C3CCC(CC3)[C@H]2C(=O)[O-])c1 ZINC001574249433 1170930538 /nfs/dbraw/zinc/93/05/38/1170930538.db2.gz WIXGFROPDILWPI-RUXDESIVSA-N -1 3 271.320 1.781 20 30 CDEDHM Cc1nc2c(c(=O)[n-]1)CN(c1ccnc(C#N)c1)C2 ZINC001651301898 1171315081 /nfs/dbraw/zinc/31/50/81/1171315081.db2.gz RKJSMWJTVKSUQH-UHFFFAOYSA-N -1 3 253.265 1.278 20 30 CDEDHM N#Cc1cccc2c1CN(c1ncccc1-c1nnn[n-]1)C2 ZINC001581875898 1172625766 /nfs/dbraw/zinc/62/57/66/1172625766.db2.gz WGTFOYRTJCADQO-UHFFFAOYSA-N -1 3 289.302 1.654 20 30 CDEDHM N#Cc1cccc2c1CN(c1ncccc1-c1nn[n-]n1)C2 ZINC001581875898 1172625773 /nfs/dbraw/zinc/62/57/73/1172625773.db2.gz WGTFOYRTJCADQO-UHFFFAOYSA-N -1 3 289.302 1.654 20 30 CDEDHM C#C[C@H](N[C@H](C)c1cc(-c2nnn[n-]2)ccn1)[C@H]1CCCO1 ZINC001588328724 1173029721 /nfs/dbraw/zinc/02/97/21/1173029721.db2.gz OYERGZOLIAQXEK-SCDSUCTJSA-N -1 3 298.350 1.093 20 30 CDEDHM C#C[C@H](N[C@H](C)c1cc(-c2nn[n-]n2)ccn1)[C@H]1CCCO1 ZINC001588328724 1173029728 /nfs/dbraw/zinc/02/97/28/1173029728.db2.gz OYERGZOLIAQXEK-SCDSUCTJSA-N -1 3 298.350 1.093 20 30 CDEDHM C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)C(C)C ZINC001588330000 1173032292 /nfs/dbraw/zinc/03/22/92/1173032292.db2.gz SIGMXBJJICWYHS-VIFPVBQESA-N -1 3 275.337 1.316 20 30 CDEDHM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)C(C)C ZINC001588330000 1173032297 /nfs/dbraw/zinc/03/22/97/1173032297.db2.gz SIGMXBJJICWYHS-VIFPVBQESA-N -1 3 275.337 1.316 20 30 CDEDHM C#CCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)C(C)(C)C ZINC001588348827 1173048368 /nfs/dbraw/zinc/04/83/68/1173048368.db2.gz POEMQQPLFNMZFH-UHFFFAOYSA-N -1 3 286.339 1.079 20 30 CDEDHM C#CCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)C(C)(C)C ZINC001588348827 1173048373 /nfs/dbraw/zinc/04/83/73/1173048373.db2.gz POEMQQPLFNMZFH-UHFFFAOYSA-N -1 3 286.339 1.079 20 30 CDEDHM C#CCN(CC#N)C(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588350111 1173051422 /nfs/dbraw/zinc/05/14/22/1173051422.db2.gz CJNXUXQMSHJYSB-UHFFFAOYSA-N -1 3 294.318 1.083 20 30 CDEDHM C#CCN(CC#N)C(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588350111 1173051419 /nfs/dbraw/zinc/05/14/19/1173051419.db2.gz CJNXUXQMSHJYSB-UHFFFAOYSA-N -1 3 294.318 1.083 20 30 CDEDHM C=C(C)CNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588430877 1173062870 /nfs/dbraw/zinc/06/28/70/1173062870.db2.gz ULUGLERBSPOASJ-UHFFFAOYSA-N -1 3 286.339 1.584 20 30 CDEDHM C=C(C)CNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588430877 1173062876 /nfs/dbraw/zinc/06/28/76/1173062876.db2.gz ULUGLERBSPOASJ-UHFFFAOYSA-N -1 3 286.339 1.584 20 30 CDEDHM C=C1CCN(C(=O)c2cc(-c3nnn[n-]3)[nH]c2C)CC1 ZINC001588462472 1173066031 /nfs/dbraw/zinc/06/60/31/1173066031.db2.gz IELNWJRHOZOQIY-UHFFFAOYSA-N -1 3 272.312 1.295 20 30 CDEDHM C=C1CCN(C(=O)c2cc(-c3nn[n-]n3)[nH]c2C)CC1 ZINC001588462472 1173066040 /nfs/dbraw/zinc/06/60/40/1173066040.db2.gz IELNWJRHOZOQIY-UHFFFAOYSA-N -1 3 272.312 1.295 20 30 CDEDHM C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001588515908 1173071147 /nfs/dbraw/zinc/07/11/47/1173071147.db2.gz KQLIITJXKAEDIZ-BDAKNGLRSA-N -1 3 259.313 1.797 20 30 CDEDHM C=CC[C@H](C)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588539459 1173077767 /nfs/dbraw/zinc/07/77/67/1173077767.db2.gz LRCNYIAVNNHJKA-JTQLQIEISA-N -1 3 288.307 1.753 20 30 CDEDHM C=CC[C@H](C)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588539459 1173077774 /nfs/dbraw/zinc/07/77/74/1173077774.db2.gz LRCNYIAVNNHJKA-JTQLQIEISA-N -1 3 288.307 1.753 20 30 CDEDHM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001588611785 1173088662 /nfs/dbraw/zinc/08/86/62/1173088662.db2.gz WSXOGOSTFVUOCJ-SECBINFHSA-N -1 3 288.311 1.181 20 30 CDEDHM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001588611785 1173088672 /nfs/dbraw/zinc/08/86/72/1173088672.db2.gz WSXOGOSTFVUOCJ-SECBINFHSA-N -1 3 288.311 1.181 20 30 CDEDHM C=CCCNC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588609606 1173089510 /nfs/dbraw/zinc/08/95/10/1173089510.db2.gz RWOMLBISUUXXSS-LLVKDONJSA-N -1 3 285.351 1.738 20 30 CDEDHM C=CCCNC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588609606 1173089513 /nfs/dbraw/zinc/08/95/13/1173089513.db2.gz RWOMLBISUUXXSS-LLVKDONJSA-N -1 3 285.351 1.738 20 30 CDEDHM C=CCN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588631399 1173092531 /nfs/dbraw/zinc/09/25/31/1173092531.db2.gz DDCUKNBBKSVCGC-UHFFFAOYSA-N -1 3 296.334 1.717 20 30 CDEDHM C=CCN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588631399 1173092538 /nfs/dbraw/zinc/09/25/38/1173092538.db2.gz DDCUKNBBKSVCGC-UHFFFAOYSA-N -1 3 296.334 1.717 20 30 CDEDHM C=CCOCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588682202 1173096211 /nfs/dbraw/zinc/09/62/11/1173096211.db2.gz JZFDHKYBVBVXLV-UHFFFAOYSA-N -1 3 287.323 1.189 20 30 CDEDHM C=CCOCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588682202 1173096216 /nfs/dbraw/zinc/09/62/16/1173096216.db2.gz JZFDHKYBVBVXLV-UHFFFAOYSA-N -1 3 287.323 1.189 20 30 CDEDHM CC(=NN[C@@H]1CCSC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001588776559 1173105111 /nfs/dbraw/zinc/10/51/11/1173105111.db2.gz SMHUPUINANKIPQ-SNVBAGLBSA-N -1 3 289.368 1.081 20 30 CDEDHM CC(=NN[C@@H]1CCSC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001588776559 1173105123 /nfs/dbraw/zinc/10/51/23/1173105123.db2.gz SMHUPUINANKIPQ-SNVBAGLBSA-N -1 3 289.368 1.081 20 30 CDEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCOC1 ZINC001588780530 1173105413 /nfs/dbraw/zinc/10/54/13/1173105413.db2.gz DJLCLBABGNFNMW-JTQLQIEISA-N -1 3 273.300 1.086 20 30 CDEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCOC1 ZINC001588780530 1173105418 /nfs/dbraw/zinc/10/54/18/1173105418.db2.gz DJLCLBABGNFNMW-JTQLQIEISA-N -1 3 273.300 1.086 20 30 CDEDHM C[C@H](C#N)N(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588934697 1173116511 /nfs/dbraw/zinc/11/65/11/1173116511.db2.gz RGICTTKGGLXBJK-YGRLFVJLSA-N -1 3 298.350 1.277 20 30 CDEDHM C[C@H](C#N)N(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588934697 1173116515 /nfs/dbraw/zinc/11/65/15/1173116515.db2.gz RGICTTKGGLXBJK-YGRLFVJLSA-N -1 3 298.350 1.277 20 30 CDEDHM C[C@@H](CC#N)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589788381 1173181913 /nfs/dbraw/zinc/18/19/13/1173181913.db2.gz XNLMYTOSECVIMM-QWRGUYRKSA-N -1 3 298.350 1.464 20 30 CDEDHM C[C@@H](CC#N)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589788381 1173181918 /nfs/dbraw/zinc/18/19/18/1173181918.db2.gz XNLMYTOSECVIMM-QWRGUYRKSA-N -1 3 298.350 1.464 20 30 CDEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC(C#N)C1 ZINC001589889204 1173198119 /nfs/dbraw/zinc/19/81/19/1173198119.db2.gz HNWHFNWTUIGYLO-SNVBAGLBSA-N -1 3 296.334 1.027 20 30 CDEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC(C#N)C1 ZINC001589889204 1173198123 /nfs/dbraw/zinc/19/81/23/1173198123.db2.gz HNWHFNWTUIGYLO-SNVBAGLBSA-N -1 3 296.334 1.027 20 30 CDEDHM CCC(=NN(CC)CCO)c1cccc(-c2nnn[n-]2)c1 ZINC001590359236 1173372841 /nfs/dbraw/zinc/37/28/41/1173372841.db2.gz VDISLPJKKNTOMA-UHFFFAOYSA-N -1 3 288.355 1.295 20 30 CDEDHM CCC(=NN(CC)CCO)c1cccc(-c2nn[n-]n2)c1 ZINC001590359236 1173372851 /nfs/dbraw/zinc/37/28/51/1173372851.db2.gz VDISLPJKKNTOMA-UHFFFAOYSA-N -1 3 288.355 1.295 20 30 CDEDHM CN(CCc1cccc(-c2nnn[n-]2)c1)C(=O)CCCC#N ZINC001591118143 1173571857 /nfs/dbraw/zinc/57/18/57/1173571857.db2.gz NNNWQKZJJBZSFC-UHFFFAOYSA-N -1 3 298.350 1.561 20 30 CDEDHM CN(CCc1cccc(-c2nn[n-]n2)c1)C(=O)CCCC#N ZINC001591118143 1173571861 /nfs/dbraw/zinc/57/18/61/1173571861.db2.gz NNNWQKZJJBZSFC-UHFFFAOYSA-N -1 3 298.350 1.561 20 30 CDEDHM COc1cc(C(=O)OC[C@@H](C)C#N)ccc1-c1nnn[n-]1 ZINC001591518296 1173663585 /nfs/dbraw/zinc/66/35/85/1173663585.db2.gz WLOJKHLKBAQNHX-QMMMGPOBSA-N -1 3 287.279 1.192 20 30 CDEDHM COc1cc(C(=O)OC[C@@H](C)C#N)ccc1-c1nn[n-]n1 ZINC001591518296 1173663588 /nfs/dbraw/zinc/66/35/88/1173663588.db2.gz WLOJKHLKBAQNHX-QMMMGPOBSA-N -1 3 287.279 1.192 20 30 CDEDHM Cc1cc(C(=O)N[C@@](C)(C#N)C(C)C)ncc1-c1nnn[n-]1 ZINC001591918546 1173747065 /nfs/dbraw/zinc/74/70/65/1173747065.db2.gz DCGLBNJIMCMAEF-AWEZNQCLSA-N -1 3 299.338 1.238 20 30 CDEDHM Cc1cc(C(=O)N[C@@](C)(C#N)C(C)C)ncc1-c1nn[n-]n1 ZINC001591918546 1173747071 /nfs/dbraw/zinc/74/70/71/1173747071.db2.gz DCGLBNJIMCMAEF-AWEZNQCLSA-N -1 3 299.338 1.238 20 30 CDEDHM N#CC1(CNc2ncc(-c3nnn[n-]3)cc2F)CCC1 ZINC001592670373 1173960644 /nfs/dbraw/zinc/96/06/44/1173960644.db2.gz ZLQNDFKETJQNFV-UHFFFAOYSA-N -1 3 273.275 1.507 20 30 CDEDHM N#C[C@]1(F)CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001592670699 1173960778 /nfs/dbraw/zinc/96/07/78/1173960778.db2.gz LMHSNRCVXQKLAV-GFCCVEGCSA-N -1 3 294.240 1.587 20 30 CDEDHM N#C[C@]1(F)CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001592670699 1173960781 /nfs/dbraw/zinc/96/07/81/1173960781.db2.gz LMHSNRCVXQKLAV-GFCCVEGCSA-N -1 3 294.240 1.587 20 30 CDEDHM N#Cc1cc(NCCc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC001592689730 1173970265 /nfs/dbraw/zinc/97/02/65/1173970265.db2.gz BESJWXQKRKFBPR-UHFFFAOYSA-N -1 3 291.318 1.788 20 30 CDEDHM N#Cc1csc(CNc2ncccc2-c2nnn[n-]2)n1 ZINC001592705810 1173978080 /nfs/dbraw/zinc/97/80/80/1173978080.db2.gz FOMNUCDGVAQCSY-UHFFFAOYSA-N -1 3 284.308 1.202 20 30 CDEDHM N#Cc1csc(CNc2ncccc2-c2nn[n-]n2)n1 ZINC001592705810 1173978083 /nfs/dbraw/zinc/97/80/83/1173978083.db2.gz FOMNUCDGVAQCSY-UHFFFAOYSA-N -1 3 284.308 1.202 20 30 CDEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cc[nH]c(=O)c1 ZINC001592794588 1173991691 /nfs/dbraw/zinc/99/16/91/1173991691.db2.gz QAFKMSJZJUYDSL-PLNGDYQASA-N -1 3 293.286 1.863 20 30 CDEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc[nH]c(=O)c1 ZINC001592794588 1173991699 /nfs/dbraw/zinc/99/16/99/1173991699.db2.gz QAFKMSJZJUYDSL-PLNGDYQASA-N -1 3 293.286 1.863 20 30 CDEDHM N#CC1(C(=O)[O-])CCN(CCOC2CCSCC2)CC1 ZINC001601052842 1174715719 /nfs/dbraw/zinc/71/57/19/1174715719.db2.gz YDXHWOBXULRXJR-UHFFFAOYSA-N -1 3 298.408 1.589 20 30 CDEDHM C#CCN(CC1CC1)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001602717979 1175371387 /nfs/dbraw/zinc/37/13/87/1175371387.db2.gz KVWAFKOIRGQCPF-UHFFFAOYSA-N -1 3 296.334 1.056 20 30 CDEDHM C#CCN(CC1CC1)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001602717979 1175371395 /nfs/dbraw/zinc/37/13/95/1175371395.db2.gz KVWAFKOIRGQCPF-UHFFFAOYSA-N -1 3 296.334 1.056 20 30 CDEDHM C#CCN(CC)C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001602719558 1175373907 /nfs/dbraw/zinc/37/39/07/1175373907.db2.gz CARYRPUNKJYDAJ-UHFFFAOYSA-N -1 3 298.350 1.028 20 30 CDEDHM C#CCN(CC)C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001602719558 1175373917 /nfs/dbraw/zinc/37/39/17/1175373917.db2.gz CARYRPUNKJYDAJ-UHFFFAOYSA-N -1 3 298.350 1.028 20 30 CDEDHM C(=NNC12CC(C1)C2)c1cccc(-c2nnn[n-]2)c1 ZINC001602745523 1175382264 /nfs/dbraw/zinc/38/22/64/1175382264.db2.gz IRGSHJYXAIQTHY-UHFFFAOYSA-N -1 3 254.297 1.343 20 30 CDEDHM C(=NNC12CC(C1)C2)c1cccc(-c2nn[n-]n2)c1 ZINC001602745523 1175382271 /nfs/dbraw/zinc/38/22/71/1175382271.db2.gz IRGSHJYXAIQTHY-UHFFFAOYSA-N -1 3 254.297 1.343 20 30 CDEDHM 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C=CCOCCOC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588689699 1173100528 /nfs/dbraw/zinc/10/05/28/1173100528.db2.gz PUUCBWBSEIIALF-UHFFFAOYSA-N -1 3 288.307 1.535 20 30 CDEDHM CC#CCCOC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588746250 1173101748 /nfs/dbraw/zinc/10/17/48/1173101748.db2.gz OTCUNPUEJMJGDP-UHFFFAOYSA-N -1 3 274.255 1.576 20 30 CDEDHM CC#CCN(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588746449 1173102550 /nfs/dbraw/zinc/10/25/50/1173102550.db2.gz RPDUEOZXWQFCBY-UHFFFAOYSA-N -1 3 270.296 1.354 20 30 CDEDHM CC#CCN(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588746449 1173102552 /nfs/dbraw/zinc/10/25/52/1173102552.db2.gz RPDUEOZXWQFCBY-UHFFFAOYSA-N -1 3 270.296 1.354 20 30 CDEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1coc(C)n1 ZINC001588780944 1173104774 /nfs/dbraw/zinc/10/47/74/1173104774.db2.gz UVWAFAGUFRDYRE-UHFFFAOYSA-N -1 3 283.295 1.999 20 30 CDEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCC1(C#N)CC1 ZINC001588909926 1173113295 /nfs/dbraw/zinc/11/32/95/1173113295.db2.gz NGMOSCJXCDCDFO-UHFFFAOYSA-N -1 3 282.307 1.785 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/nfs/dbraw/zinc/37/78/77/1173377877.db2.gz VSQYGOQDMOZNGA-SECBINFHSA-N -1 3 270.296 1.379 20 30 CDEDHM CN(C(=O)CCCCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001590981467 1173556615 /nfs/dbraw/zinc/55/66/15/1173556615.db2.gz XGCPDRHOBOIXIF-UHFFFAOYSA-N -1 3 284.323 1.913 20 30 CDEDHM CN(C(=O)CCCCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001590981467 1173556620 /nfs/dbraw/zinc/55/66/20/1173556620.db2.gz XGCPDRHOBOIXIF-UHFFFAOYSA-N -1 3 284.323 1.913 20 30 CDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCC[C@@H]1C#N ZINC001591135056 1173575315 /nfs/dbraw/zinc/57/53/15/1173575315.db2.gz JXLOVBODUWGANG-KGLIPLIRSA-N -1 3 282.351 1.991 20 30 CDEDHM COCC#CC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001591362029 1173631071 /nfs/dbraw/zinc/63/10/71/1173631071.db2.gz QSSFTIBWCJDEAM-NSHDSACASA-N -1 3 299.334 1.036 20 30 CDEDHM COCC#CC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001591362029 1173631075 /nfs/dbraw/zinc/63/10/75/1173631075.db2.gz QSSFTIBWCJDEAM-NSHDSACASA-N -1 3 299.334 1.036 20 30 CDEDHM COc1nccnc1N=NCc1ccccc1-c1nnn[n-]1 ZINC001591669357 1173677940 /nfs/dbraw/zinc/67/79/40/1173677940.db2.gz BVRDYRULMKAFSO-UHFFFAOYSA-N -1 3 296.294 1.111 20 30 CDEDHM COc1nccnc1N=NCc1ccccc1-c1nn[n-]n1 ZINC001591669357 1173677946 /nfs/dbraw/zinc/67/79/46/1173677946.db2.gz BVRDYRULMKAFSO-UHFFFAOYSA-N -1 3 296.294 1.111 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N(C)C1(C#N)CCC1 ZINC001591779349 1173701040 /nfs/dbraw/zinc/70/10/40/1173701040.db2.gz HFGSOQRESOSXFQ-UHFFFAOYSA-N -1 3 285.311 1.022 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N(C)C1(C#N)CCC1 ZINC001591779349 1173701043 /nfs/dbraw/zinc/70/10/43/1173701043.db2.gz HFGSOQRESOSXFQ-UHFFFAOYSA-N -1 3 285.311 1.022 20 30 CDEDHM Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1-c1nnn[n-]1 ZINC001592115601 1173806213 /nfs/dbraw/zinc/80/62/13/1173806213.db2.gz RTAYIRAUJIWOMW-JTQLQIEISA-N -1 3 284.323 1.549 20 30 CDEDHM Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1-c1nn[n-]n1 ZINC001592115601 1173806215 /nfs/dbraw/zinc/80/62/15/1173806215.db2.gz 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C=C[C@@H](C)ONC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001602801924 1175405495 /nfs/dbraw/zinc/40/54/95/1175405495.db2.gz XKHVHOQFQGDRAW-MRVPVSSYSA-N -1 3 274.284 1.494 20 30 CDEDHM C=C[C@@H](C(=O)[O-])N1CCC(O)(Cc2nc(C)cs2)CC1 ZINC001602805276 1175407945 /nfs/dbraw/zinc/40/79/45/1175407945.db2.gz XRTYWQIRQMVORX-NSHDSACASA-N -1 3 296.392 1.460 20 30 CDEDHM C=CCCC(=O)COC(=O)c1cscc1-c1nnn[n-]1 ZINC001602822658 1175418414 /nfs/dbraw/zinc/41/84/14/1175418414.db2.gz DIYSOCITUWPGSE-UHFFFAOYSA-N -1 3 292.320 1.620 20 30 CDEDHM C=CCCC(=O)COC(=O)c1cscc1-c1nn[n-]n1 ZINC001602822658 1175418416 /nfs/dbraw/zinc/41/84/16/1175418416.db2.gz DIYSOCITUWPGSE-UHFFFAOYSA-N -1 3 292.320 1.620 20 30 CDEDHM C[C@@H](C#N)CNN=Cc1csc(-c2nnn[n-]2)c1 ZINC001602988827 1175473332 /nfs/dbraw/zinc/47/33/32/1175473332.db2.gz KGEJOJMHJIJBBX-ZETCQYMHSA-N -1 3 261.314 1.011 20 30 CDEDHM CC(C)(C)[C@@H](C#N)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001603060246 1175485438 /nfs/dbraw/zinc/48/54/38/1175485438.db2.gz RICXREKVHGXORZ-LLVKDONJSA-N -1 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/nfs/dbraw/zinc/44/85/82/705448582.db2.gz PMJQFACVGOZAMG-GFCCVEGCSA-N -1 3 297.318 1.339 20 30 CDEDHM C=C[C@@H](C)O[N-]C(=O)CCc1nc(CSC)no1 ZINC000846546830 705478784 /nfs/dbraw/zinc/47/87/84/705478784.db2.gz GRUFTZGMJJDGCA-MRVPVSSYSA-N -1 3 271.342 1.488 20 30 CDEDHM C#CCO[N-]C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000855602912 705480072 /nfs/dbraw/zinc/48/00/72/705480072.db2.gz FVIIUVKCIJXJBK-OLZOCXBDSA-N -1 3 278.352 1.096 20 30 CDEDHM CC1(C)OCC[C@@H]1NN=C1C(=O)Nc2cc([O-])ccc21 ZINC000835014027 705510677 /nfs/dbraw/zinc/51/06/77/705510677.db2.gz MIPNORWZIDQVKC-NSHDSACASA-N -1 3 275.308 1.206 20 30 CDEDHM N#CCC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000309215867 705564245 /nfs/dbraw/zinc/56/42/45/705564245.db2.gz FNXSLHKHKVVFSI-UHFFFAOYSA-N -1 3 263.681 1.066 20 30 CDEDHM C=C1CCC(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CC1 ZINC000887328297 705618101 /nfs/dbraw/zinc/61/81/01/705618101.db2.gz SWHDOXQAXOOAPZ-UHFFFAOYSA-N -1 3 294.395 1.740 20 30 CDEDHM CC(C)(C)OCCCC(=O)N[C@H]1CCCN([O-])C1=O 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293.352 1.030 20 30 CDEDHM CN(CC#N)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821592616 606487257 /nfs/dbraw/zinc/48/72/57/606487257.db2.gz NCVYNKCPBMEZLO-UHFFFAOYSA-N -1 3 294.265 1.423 20 30 CDEDHM CN(CC#N)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821592616 606487258 /nfs/dbraw/zinc/48/72/58/606487258.db2.gz NCVYNKCPBMEZLO-UHFFFAOYSA-N -1 3 294.265 1.423 20 30 CDEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819898067 606640860 /nfs/dbraw/zinc/64/08/60/606640860.db2.gz CKKXAJHOUMRODU-SECBINFHSA-N -1 3 290.352 1.596 20 30 CDEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819898067 606640861 /nfs/dbraw/zinc/64/08/61/606640861.db2.gz CKKXAJHOUMRODU-SECBINFHSA-N -1 3 290.352 1.596 20 30 CDEDHM C=C(Cl)C[C@H](N)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001602788988 1175404489 /nfs/dbraw/zinc/40/44/89/1175404489.db2.gz SOGUYGIDKBFHLS-ZETCQYMHSA-N -1 3 274.729 1.855 20 30 CDEDHM C=C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819730322 606815064 /nfs/dbraw/zinc/81/50/64/606815064.db2.gz 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N#CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826381213 618591458 /nfs/dbraw/zinc/59/14/58/618591458.db2.gz BSSQJYAHMHTSKS-UHFFFAOYSA-N -1 3 273.256 1.491 20 30 CDEDHM C=CCCC[C@H](NC(=O)[C@H](CC)N(C)C)C(=O)[O-] ZINC000910917750 618599099 /nfs/dbraw/zinc/59/90/99/618599099.db2.gz VBOGTUVUQXENEN-QWRGUYRKSA-N -1 3 256.346 1.252 20 30 CDEDHM CCc1oc(CN[C@H]2CCCN([O-])C2=O)cc1C(=O)OC ZINC000895157633 619372866 /nfs/dbraw/zinc/37/28/66/619372866.db2.gz DHFKSVCPOBFPKO-NSHDSACASA-N -1 3 296.323 1.098 20 30 CDEDHM C#CCSCC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000896406997 620089154 /nfs/dbraw/zinc/08/91/54/620089154.db2.gz IKRVEYDHYZLSLW-UHFFFAOYSA-N -1 3 293.344 1.874 20 30 CDEDHM C=C(Cl)C[C@H](N)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000864611663 620942570 /nfs/dbraw/zinc/94/25/70/620942570.db2.gz JIDDAPFXXHIGJF-ZJUUUORDSA-N -1 3 276.764 1.319 20 30 CDEDHM O=S1(=O)CC[C@H](NN=Cc2cc([O-])cc(Cl)c2)C1 ZINC000901117404 623876380 /nfs/dbraw/zinc/87/63/80/623876380.db2.gz CKMPGRSTQXGLKN-JTQLQIEISA-N -1 3 288.756 1.156 20 30 CDEDHM CC[C@H](C(=O)N([O-])Cc1ccc(F)cc1)N1CCCC1=O ZINC000904175971 626210969 /nfs/dbraw/zinc/21/09/69/626210969.db2.gz ZWTHPWVIJVWHIF-CYBMUJFWSA-N -1 3 294.326 1.945 20 30 CDEDHM CCCCN([O-])C(=O)COc1ccccc1[N+](=O)[O-] ZINC000904207910 626212815 /nfs/dbraw/zinc/21/28/15/626212815.db2.gz HURLUERVRAPWHM-UHFFFAOYSA-N -1 3 268.269 1.992 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000904208563 626213352 /nfs/dbraw/zinc/21/33/52/626213352.db2.gz AKVJZJPKCPAKBG-GFCCVEGCSA-N -1 3 268.357 1.653 20 30 CDEDHM CCCCN([O-])C(=O)CCCCN1CCOCC1 ZINC000904213244 626226820 /nfs/dbraw/zinc/22/68/20/626226820.db2.gz MFOSJGZSDFLLBY-UHFFFAOYSA-N -1 3 258.362 1.507 20 30 CDEDHM C=CCOCCNC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001602871484 1175441162 /nfs/dbraw/zinc/44/11/62/1175441162.db2.gz UFOJFSJLRUYDQL-UHFFFAOYSA-N -1 3 294.340 1.252 20 30 CDEDHM C=CCOCCNC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001602871484 1175441169 /nfs/dbraw/zinc/44/11/69/1175441169.db2.gz UFOJFSJLRUYDQL-UHFFFAOYSA-N -1 3 294.340 1.252 20 30 CDEDHM C=CCCOCCN[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001602881187 1175443021 /nfs/dbraw/zinc/44/30/21/1175443021.db2.gz VIBZKJAWUORQEB-NSHDSACASA-N -1 3 279.340 1.599 20 30 CDEDHM CCCCCCN(O)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001604176350 1163115514 /nfs/dbraw/zinc/11/55/14/1163115514.db2.gz OIMBTVJSZGRDPE-UHFFFAOYSA-N -1 3 290.327 1.673 20 30 CDEDHM CCN(CCC(=O)[O-])CC(=O)NC1(C#N)CCCCC1 ZINC001605442953 1163564738 /nfs/dbraw/zinc/56/47/38/1163564738.db2.gz JEFDLTGXLGIPOP-UHFFFAOYSA-N -1 3 281.356 1.126 20 30 CDEDHM Cc1cc[nH]c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001605759913 1163662210 /nfs/dbraw/zinc/66/22/10/1163662210.db2.gz ZHZNUEBDQOXREW-UHFFFAOYSA-N -1 3 293.290 1.627 20 30 CDEDHM Cc1cc[nH]c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001605759913 1163662215 /nfs/dbraw/zinc/66/22/15/1163662215.db2.gz ZHZNUEBDQOXREW-UHFFFAOYSA-N -1 3 293.290 1.627 20 30 CDEDHM CN1CCN(Cc2cc(C#N)cs2)C[C@H](C(=O)[O-])C1 ZINC001606242287 1163826851 /nfs/dbraw/zinc/82/68/51/1163826851.db2.gz BSGGQSDOPHWPFW-LLVKDONJSA-N -1 3 279.365 1.068 20 30 CDEDHM N#CCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001606349215 1163873275 /nfs/dbraw/zinc/87/32/75/1163873275.db2.gz FOHVXTFNUZEZJA-UHFFFAOYSA-N -1 3 291.702 1.555 20 30 CDEDHM N#CCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001606349215 1163873283 /nfs/dbraw/zinc/87/32/83/1163873283.db2.gz FOHVXTFNUZEZJA-UHFFFAOYSA-N -1 3 291.702 1.555 20 30 CDEDHM Cc1nc(NC(=O)Cc2ccc(F)c(C#N)c2)cc(=O)[n-]1 ZINC001181169576 1164347185 /nfs/dbraw/zinc/34/71/85/1164347185.db2.gz GCIVXBFIGKQDQF-UHFFFAOYSA-N -1 3 286.266 1.683 20 30 CDEDHM C#C[C@H](C)N(C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001609054259 1164748169 /nfs/dbraw/zinc/74/81/69/1164748169.db2.gz DMUGBURUACSGCT-WCQYABFASA-N -1 3 277.320 1.078 20 30 CDEDHM C[C@@H](NC(=O)CC1(C#N)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609119187 1164779225 /nfs/dbraw/zinc/77/92/25/1164779225.db2.gz NFDYJFMKODDNCX-SNVBAGLBSA-N -1 3 296.334 1.738 20 30 CDEDHM C[C@@H](NC(=O)CC1(C#N)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609119187 1164779230 /nfs/dbraw/zinc/77/92/30/1164779230.db2.gz NFDYJFMKODDNCX-SNVBAGLBSA-N -1 3 296.334 1.738 20 30 CDEDHM CC1(C)C[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C(=O)O1 ZINC001609144499 1164792535 /nfs/dbraw/zinc/79/25/35/1164792535.db2.gz ZSKLRMXHVYYYMK-JTQLQIEISA-N -1 3 298.306 1.244 20 30 CDEDHM CC1(C)C[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C(=O)O1 ZINC001609144499 1164792543 /nfs/dbraw/zinc/79/25/43/1164792543.db2.gz ZSKLRMXHVYYYMK-JTQLQIEISA-N -1 3 298.306 1.244 20 30 CDEDHM C[C@H]1C[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001609156547 1164802777 /nfs/dbraw/zinc/80/27/77/1164802777.db2.gz AXVBYCDRTUEYGS-GXSJLCMTSA-N -1 3 284.323 1.718 20 30 CDEDHM C[C@H]1C[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001609156547 1164802784 /nfs/dbraw/zinc/80/27/84/1164802784.db2.gz AXVBYCDRTUEYGS-GXSJLCMTSA-N -1 3 284.323 1.718 20 30 CDEDHM COc1cc(-c2nnn[n-]2)ccc1OC[C@@H](C#N)CCC#N ZINC001609337493 1164906540 /nfs/dbraw/zinc/90/65/40/1164906540.db2.gz UJXJPQIEYZIIPQ-SNVBAGLBSA-N -1 3 298.306 1.698 20 30 CDEDHM COc1cc(-c2nn[n-]n2)ccc1OC[C@@H](C#N)CCC#N ZINC001609337493 1164906547 /nfs/dbraw/zinc/90/65/47/1164906547.db2.gz UJXJPQIEYZIIPQ-SNVBAGLBSA-N -1 3 298.306 1.698 20 30 CDEDHM N#CCCCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001609494682 1164974209 /nfs/dbraw/zinc/97/42/09/1164974209.db2.gz KLBVFJHMZFOBHP-UHFFFAOYSA-N -1 3 262.298 1.561 20 30 CDEDHM N#CCCCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001609494682 1164974217 /nfs/dbraw/zinc/97/42/17/1164974217.db2.gz KLBVFJHMZFOBHP-UHFFFAOYSA-N -1 3 262.298 1.561 20 30 CDEDHM N#C[C@]1(F)CCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC001609494381 1164975805 /nfs/dbraw/zinc/97/58/05/1164975805.db2.gz CFUBQGMKRYFPBC-LLVKDONJSA-N -1 3 292.299 1.006 20 30 CDEDHM N#C[C@]1(F)CCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001609494381 1164975811 /nfs/dbraw/zinc/97/58/11/1164975811.db2.gz CFUBQGMKRYFPBC-LLVKDONJSA-N -1 3 292.299 1.006 20 30 CDEDHM Cc1[nH]nc(NC(=O)c2cc(F)cc3n[n-]nc32)c1C#N ZINC001645595816 1167433261 /nfs/dbraw/zinc/43/32/61/1167433261.db2.gz LQUPDJSCCPYBAH-UHFFFAOYSA-N -1 3 285.242 1.253 20 30 CDEDHM Cc1ncoc1C[N-]S(=O)(=O)c1ccccc1C#N ZINC000074599231 1172053402 /nfs/dbraw/zinc/05/34/02/1172053402.db2.gz LZBLFIPRTICUBZ-UHFFFAOYSA-N -1 3 277.305 1.333 20 30 CDEDHM C#CC1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2C)CC1 ZINC001588331482 1173033266 /nfs/dbraw/zinc/03/32/66/1173033266.db2.gz SYIICCYKRRDDAS-UHFFFAOYSA-N -1 3 295.346 1.661 20 30 CDEDHM C#CC1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2C)CC1 ZINC001588331482 1173033274 /nfs/dbraw/zinc/03/32/74/1173033274.db2.gz SYIICCYKRRDDAS-UHFFFAOYSA-N -1 3 295.346 1.661 20 30 CDEDHM C#CC[C@H](CCOC)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588331743 1173034724 /nfs/dbraw/zinc/03/47/24/1173034724.db2.gz RLARCQQJLCLNEA-LLVKDONJSA-N -1 3 289.314 1.846 20 30 CDEDHM C#CC[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588337289 1173039638 /nfs/dbraw/zinc/03/96/38/1173039638.db2.gz MNPAGTWZTIBQKO-LLVKDONJSA-N -1 3 296.334 1.744 20 30 CDEDHM C#CC[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588337289 1173039644 /nfs/dbraw/zinc/03/96/44/1173039644.db2.gz MNPAGTWZTIBQKO-LLVKDONJSA-N -1 3 296.334 1.744 20 30 CDEDHM C#CCCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cn1 ZINC001588345665 1173044899 /nfs/dbraw/zinc/04/48/99/1173044899.db2.gz IDYOQTHRTWUJQR-UHFFFAOYSA-N -1 3 299.334 1.889 20 30 CDEDHM C#CCCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cn1 ZINC001588345665 1173044906 /nfs/dbraw/zinc/04/49/06/1173044906.db2.gz IDYOQTHRTWUJQR-UHFFFAOYSA-N -1 3 299.334 1.889 20 30 CDEDHM C#CCCNC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588347183 1173047521 /nfs/dbraw/zinc/04/75/21/1173047521.db2.gz NHFHWLFIZBTYSR-UHFFFAOYSA-N -1 3 276.325 1.381 20 30 CDEDHM C#CCCNC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588347183 1173047525 /nfs/dbraw/zinc/04/75/25/1173047525.db2.gz NHFHWLFIZBTYSR-UHFFFAOYSA-N -1 3 276.325 1.381 20 30 CDEDHM C=C(Cl)CNC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001588449021 1173063756 /nfs/dbraw/zinc/06/37/56/1173063756.db2.gz DOQOWYAXCUWXKN-UHFFFAOYSA-N -1 3 298.759 1.480 20 30 CDEDHM C=C[C@](C)(O)CC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588501231 1173067934 /nfs/dbraw/zinc/06/79/34/1173067934.db2.gz LPXLBAMGUOIYPT-HNNXBMFYSA-N -1 3 299.334 1.036 20 30 CDEDHM C=C[C@](C)(O)CC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588501231 1173067938 /nfs/dbraw/zinc/06/79/38/1173067938.db2.gz LPXLBAMGUOIYPT-HNNXBMFYSA-N -1 3 299.334 1.036 20 30 CDEDHM C=C[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001588527544 1173075860 /nfs/dbraw/zinc/07/58/60/1173075860.db2.gz ODOWIDCLKMZSQT-SNVBAGLBSA-N -1 3 256.313 1.807 20 30 CDEDHM C=C[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001588527544 1173075869 /nfs/dbraw/zinc/07/58/69/1173075869.db2.gz ODOWIDCLKMZSQT-SNVBAGLBSA-N -1 3 256.313 1.807 20 30 CDEDHM C=C[C@H](COC)Nc1cc(F)ccc1-c1nnn[n-]1 ZINC001588525809 1173076212 /nfs/dbraw/zinc/07/62/12/1173076212.db2.gz KZUXJCABGUASHW-SECBINFHSA-N -1 3 263.276 1.619 20 30 CDEDHM C=C[C@H](COC)Nc1cc(F)ccc1-c1nn[n-]n1 ZINC001588525809 1173076218 /nfs/dbraw/zinc/07/62/18/1173076218.db2.gz KZUXJCABGUASHW-SECBINFHSA-N -1 3 263.276 1.619 20 30 CDEDHM C=CC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588539695 1173077599 /nfs/dbraw/zinc/07/75/99/1173077599.db2.gz VNGFYFQZHBFXMC-SECBINFHSA-N -1 3 288.307 1.997 20 30 CDEDHM C=CC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588539695 1173077605 /nfs/dbraw/zinc/07/76/05/1173077605.db2.gz VNGFYFQZHBFXMC-SECBINFHSA-N -1 3 288.307 1.997 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588564546 1173082807 /nfs/dbraw/zinc/08/28/07/1173082807.db2.gz NZBVRTAQYCEOKS-JTQLQIEISA-N -1 3 285.311 1.444 20 30 CDEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588564546 1173082813 /nfs/dbraw/zinc/08/28/13/1173082813.db2.gz NZBVRTAQYCEOKS-JTQLQIEISA-N -1 3 285.311 1.444 20 30 CDEDHM C=CCCC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588576323 1173083334 /nfs/dbraw/zinc/08/33/34/1173083334.db2.gz MTQYKXHNBBKESO-UHFFFAOYSA-N -1 3 261.260 1.911 20 30 CDEDHM C=CCCC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588576323 1173083341 /nfs/dbraw/zinc/08/33/41/1173083341.db2.gz MTQYKXHNBBKESO-UHFFFAOYSA-N -1 3 261.260 1.911 20 30 CDEDHM C=CCN(C(=O)c1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001588625275 1173091788 /nfs/dbraw/zinc/09/17/88/1173091788.db2.gz FKNICUKAUJPWIJ-UHFFFAOYSA-N -1 3 284.323 1.361 20 30 CDEDHM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001588625275 1173091793 /nfs/dbraw/zinc/09/17/93/1173091793.db2.gz FKNICUKAUJPWIJ-UHFFFAOYSA-N -1 3 284.323 1.361 20 30 CDEDHM C=CCONC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001588689231 1173100062 /nfs/dbraw/zinc/10/00/62/1173100062.db2.gz JCGYEXJATMDCFS-UHFFFAOYSA-N -1 3 274.284 1.414 20 30 CDEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ncc[nH]1 ZINC001588780509 1173104100 /nfs/dbraw/zinc/10/41/00/1173104100.db2.gz CLIQYSXRUCBIIZ-UHFFFAOYSA-N -1 3 268.284 1.426 20 30 CDEDHM C[C@H](C#N)N(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588934793 1173116972 /nfs/dbraw/zinc/11/69/72/1173116972.db2.gz VQVFAFBJDWZGJH-QROSGCPLSA-N -1 3 282.307 1.250 20 30 CDEDHM C[C@H](C#N)N(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588934793 1173116974 /nfs/dbraw/zinc/11/69/74/1173116974.db2.gz VQVFAFBJDWZGJH-QROSGCPLSA-N -1 3 282.307 1.250 20 30 CDEDHM C[C@H](CC#N)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001589788465 1173182043 /nfs/dbraw/zinc/18/20/43/1173182043.db2.gz WWFPAASASMBOEA-MRVPVSSYSA-N -1 3 289.270 1.599 20 30 CDEDHM C[C@H](CC#N)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001589788465 1173182047 /nfs/dbraw/zinc/18/20/47/1173182047.db2.gz WWFPAASASMBOEA-MRVPVSSYSA-N -1 3 289.270 1.599 20 30 CDEDHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)n1cc(CCC#N)nn1 ZINC001590038706 1173237971 /nfs/dbraw/zinc/23/79/71/1173237971.db2.gz DJBWHZMRIOKOFR-JTQLQIEISA-N -1 3 294.322 1.524 20 30 CDEDHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)n1cc(CCC#N)nn1 ZINC001590038706 1173237975 /nfs/dbraw/zinc/23/79/75/1173237975.db2.gz DJBWHZMRIOKOFR-JTQLQIEISA-N -1 3 294.322 1.524 20 30 CDEDHM CC1(C#N)CN(c2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001590057065 1173243170 /nfs/dbraw/zinc/24/31/70/1173243170.db2.gz YPULSHMWISZWNV-UHFFFAOYSA-N -1 3 258.260 1.356 20 30 CDEDHM CC1(C#N)CN(c2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001590057065 1173243177 /nfs/dbraw/zinc/24/31/77/1173243177.db2.gz YPULSHMWISZWNV-UHFFFAOYSA-N -1 3 258.260 1.356 20 30 CDEDHM CCC(=NNC(=S)NC)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358867 1173372168 /nfs/dbraw/zinc/37/21/68/1173372168.db2.gz IUOZAIQLWNVTBD-UHFFFAOYSA-N -1 3 289.368 1.075 20 30 CDEDHM CCC(=NNC(=S)NC)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358867 1173372175 /nfs/dbraw/zinc/37/21/75/1173372175.db2.gz IUOZAIQLWNVTBD-UHFFFAOYSA-N -1 3 289.368 1.075 20 30 CDEDHM CC[C@@H](C#N)C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001590367263 1173375550 /nfs/dbraw/zinc/37/55/50/1173375550.db2.gz JQDDGLVBHNCMII-TVQRCGJNSA-N -1 3 296.334 1.520 20 30 CDEDHM CC[C@@H](C#N)C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001590367263 1173375557 /nfs/dbraw/zinc/37/55/57/1173375557.db2.gz JQDDGLVBHNCMII-TVQRCGJNSA-N -1 3 296.334 1.520 20 30 CDEDHM CC[C@H](CC#N)NCc1cccc(-c2nnn[n-]2)n1 ZINC001590419112 1173401603 /nfs/dbraw/zinc/40/16/03/1173401603.db2.gz CRIQHIJJFWWKNY-SECBINFHSA-N -1 3 257.301 1.044 20 30 CDEDHM CN(C(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC[C@H]1C#N ZINC001590993854 1173558432 /nfs/dbraw/zinc/55/84/32/1173558432.db2.gz SAGXEFBYXZNJIF-QWHCGFSZSA-N -1 3 296.334 1.631 20 30 CDEDHM CN(C(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[C@H]1C#N ZINC001590993854 1173558435 /nfs/dbraw/zinc/55/84/35/1173558435.db2.gz SAGXEFBYXZNJIF-QWHCGFSZSA-N -1 3 296.334 1.631 20 30 CDEDHM COc1cc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)on1 ZINC001591519615 1173664615 /nfs/dbraw/zinc/66/46/15/1173664615.db2.gz SXEUTGUNPYJKOF-UHFFFAOYSA-N -1 3 299.294 1.699 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)cc(NCc2cncc(C#N)c2)n1 ZINC001591860006 1173725720 /nfs/dbraw/zinc/72/57/20/1173725720.db2.gz VNAZUEFIOBTAEA-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)cc(NCc2cncc(C#N)c2)n1 ZINC001591860006 1173725727 /nfs/dbraw/zinc/72/57/27/1173725727.db2.gz VNAZUEFIOBTAEA-UHFFFAOYSA-N -1 3 292.306 1.449 20 30 CDEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C/C=C\c1ccccc1 ZINC001592341051 1173861006 /nfs/dbraw/zinc/86/10/06/1173861006.db2.gz 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295.364 1.059 20 30 CDEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000790853079 712700061 /nfs/dbraw/zinc/70/00/61/712700061.db2.gz NRZSVRHOCIOVDA-UHFFFAOYSA-N -1 3 279.720 1.865 20 30 CDEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC000844272163 712754287 /nfs/dbraw/zinc/75/42/87/712754287.db2.gz VTDWAHGKNMQRSI-NIYGPLNZSA-N -1 3 262.309 1.327 20 30 CDEDHM CCn1nnc(C)c1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000837646946 712758416 /nfs/dbraw/zinc/75/84/16/712758416.db2.gz UETBJLBKJBLGHY-UHFFFAOYSA-N -1 3 286.291 1.541 20 30 CDEDHM COc1ccccc1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000263632399 712795066 /nfs/dbraw/zinc/79/50/66/712795066.db2.gz IHHPDQCNVKEQNT-UHFFFAOYSA-N -1 3 268.280 1.808 20 30 CDEDHM Cc1cc(NCC#CCN(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607693507 1164271912 /nfs/dbraw/zinc/27/19/12/1164271912.db2.gz BZKLKXNPCQWJQC-UHFFFAOYSA-N -1 3 291.307 1.578 20 30 CDEDHM C=CCC[C@H](CO)N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001609324578 1164900767 /nfs/dbraw/zinc/90/07/67/1164900767.db2.gz 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CDEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cc[nH]n1 ZINC000823868136 607884982 /nfs/dbraw/zinc/88/49/82/607884982.db2.gz OIKPNBHJVZHPBL-UHFFFAOYSA-N -1 3 254.257 1.036 20 30 CDEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cc[nH]n1 ZINC000823868136 607884983 /nfs/dbraw/zinc/88/49/83/607884983.db2.gz OIKPNBHJVZHPBL-UHFFFAOYSA-N -1 3 254.257 1.036 20 30 CDEDHM CC#CCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823937338 608100198 /nfs/dbraw/zinc/10/01/98/608100198.db2.gz SOXNRYFLIMINLS-JTQLQIEISA-N -1 3 284.323 1.250 20 30 CDEDHM CC#CCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823937338 608100199 /nfs/dbraw/zinc/10/01/99/608100199.db2.gz SOXNRYFLIMINLS-JTQLQIEISA-N -1 3 284.323 1.250 20 30 CDEDHM C=CC[C@@H](C(=O)[O-])N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001602835533 1175424066 /nfs/dbraw/zinc/42/40/66/1175424066.db2.gz RPLYNLWFVUYJRX-NEPJUHHUSA-N -1 3 298.383 1.957 20 30 CDEDHM C=CC[C@@H](NC(=O)[C@H](N)CCC(=O)[O-])c1ccncc1 ZINC001602842678 1175429108 /nfs/dbraw/zinc/42/91/08/1175429108.db2.gz 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/nfs/dbraw/zinc/36/23/65/618362365.db2.gz HRYCVXFHZXQACQ-UHFFFAOYSA-N -1 3 280.715 1.992 20 30 CDEDHM C#C[C@H](CCC)NC(=O)c1nnc2ccccc2c1[O-] ZINC000791745315 618377964 /nfs/dbraw/zinc/37/79/64/618377964.db2.gz OKBGCKHASSYDHU-SNVBAGLBSA-N -1 3 269.304 1.867 20 30 CDEDHM Cc1ccc(CN[C@H]2CCCN([O-])C2=O)c(F)c1 ZINC000895156613 619370542 /nfs/dbraw/zinc/37/05/42/619370542.db2.gz FAGDTWSTDCMAMY-LBPRGKRZSA-N -1 3 252.289 1.604 20 30 CDEDHM O=C1[C@H](NCc2csc([N+](=O)[O-])c2)CCCN1[O-] ZINC000895165260 619392753 /nfs/dbraw/zinc/39/27/53/619392753.db2.gz KZNAXKXSMVVTFM-MRVPVSSYSA-N -1 3 271.298 1.126 20 30 CDEDHM O=C1[C@@H](NCc2ccc(F)c(F)c2)CCCN1[O-] ZINC000895165874 619394624 /nfs/dbraw/zinc/39/46/24/619394624.db2.gz NDJQBUGUIYNBEL-NSHDSACASA-N -1 3 256.252 1.435 20 30 CDEDHM CC(C)(C)C#CC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC000909640047 620532298 /nfs/dbraw/zinc/53/22/98/620532298.db2.gz FNMZMBSCORYHSF-UHFFFAOYSA-N -1 3 287.298 1.994 20 30 CDEDHM CC(C)(C)C#CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC000909640047 620532300 /nfs/dbraw/zinc/53/23/00/620532300.db2.gz FNMZMBSCORYHSF-UHFFFAOYSA-N -1 3 287.298 1.994 20 30 CDEDHM O=C(COCC1CC1)N([O-])Cc1ccc(F)cc1 ZINC000900094941 622694887 /nfs/dbraw/zinc/69/48/87/622694887.db2.gz VALWNLSOAZCROP-UHFFFAOYSA-N -1 3 253.273 1.970 20 30 CDEDHM C=CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000900462597 623090614 /nfs/dbraw/zinc/09/06/14/623090614.db2.gz MELRUOPNLSVGSX-CHWSQXEVSA-N -1 3 282.384 1.916 20 30 CDEDHM CCCCN([O-])C(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC000900683493 623370023 /nfs/dbraw/zinc/37/00/23/623370023.db2.gz YZQKRELKPWZQHO-NHYWBVRUSA-N -1 3 274.320 1.914 20 30 CDEDHM C=CCC1(CNCc2cn(CC(=O)[O-])nn2)CCCC1 ZINC000902270427 624629522 /nfs/dbraw/zinc/62/95/22/624629522.db2.gz WEIITNPMGUGGQB-UHFFFAOYSA-N -1 3 278.356 1.589 20 30 CDEDHM O=C([C@H]1C[C@@]12CCOC2)N([O-])Cc1ccc(F)cc1 ZINC000904173688 626210203 /nfs/dbraw/zinc/21/02/03/626210203.db2.gz OOKTVLIXIGQQPV-TZMCWYRMSA-N -1 3 265.284 1.970 20 30 CDEDHM CC(C)N(C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174425 626210481 /nfs/dbraw/zinc/21/04/81/626210481.db2.gz ALAAZAVAXDZJNB-UHFFFAOYSA-N -1 3 254.305 1.884 20 30 CDEDHM CNC(=O)C1(C(=O)N([O-])Cc2ccccc2Cl)CCC1 ZINC000904188299 626214978 /nfs/dbraw/zinc/21/49/78/626214978.db2.gz AGSDILKABKKSSE-UHFFFAOYSA-N -1 3 296.754 1.974 20 30 CDEDHM CCCCN([O-])C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC000904215593 626221273 /nfs/dbraw/zinc/22/12/73/626221273.db2.gz FZOIOQQUCIWYQG-AWEZNQCLSA-N -1 3 268.357 1.701 20 30 CDEDHM CCCCN([O-])C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC000904214576 626227528 /nfs/dbraw/zinc/22/75/28/626227528.db2.gz DTBXPBDDKNEBNY-LBPRGKRZSA-N -1 3 266.345 1.808 20 30 CDEDHM C=CCC[C@H](O)CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000905375822 626791209 /nfs/dbraw/zinc/79/12/09/626791209.db2.gz ITBOWMZVQDWWEE-GXFFZTMASA-N -1 3 267.300 1.868 20 30 CDEDHM C=CCOC[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)C(=O)[O-] ZINC000909771746 628661284 /nfs/dbraw/zinc/66/12/84/628661284.db2.gz PMPSDRNZXBJQAS-CHWSQXEVSA-N -1 3 298.383 1.023 20 30 CDEDHM 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ZINC001590367279 1173377683 /nfs/dbraw/zinc/37/76/83/1173377683.db2.gz KGIOCHXKSRNYPG-NSHDSACASA-N -1 3 284.323 1.375 20 30 CDEDHM COCC1=CCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001591393147 1173642743 /nfs/dbraw/zinc/64/27/43/1173642743.db2.gz ZRTSUHRZOOFCPK-UHFFFAOYSA-N -1 3 296.334 1.521 20 30 CDEDHM COCC1=CCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001591393147 1173642745 /nfs/dbraw/zinc/64/27/45/1173642745.db2.gz ZRTSUHRZOOFCPK-UHFFFAOYSA-N -1 3 296.334 1.521 20 30 CDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@@H](C)C#N ZINC001591860899 1173724531 /nfs/dbraw/zinc/72/45/31/1173724531.db2.gz GKEGPFKCWVXMPN-VIFPVBQESA-N -1 3 270.296 1.159 20 30 CDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@@H](C)C#N ZINC001591860899 1173724536 /nfs/dbraw/zinc/72/45/36/1173724536.db2.gz GKEGPFKCWVXMPN-VIFPVBQESA-N -1 3 270.296 1.159 20 30 CDEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCCC#N)c2c1 ZINC001591950219 1173752511 /nfs/dbraw/zinc/75/25/11/1173752511.db2.gz UJKREYQIXIYDAR-UHFFFAOYSA-N -1 3 293.334 1.779 20 30 CDEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCCC#N)c2c1 ZINC001591950219 1173752514 /nfs/dbraw/zinc/75/25/14/1173752514.db2.gz UJKREYQIXIYDAR-UHFFFAOYSA-N -1 3 293.334 1.779 20 30 CDEDHM Cc1cc(Sc2cc(C#N)cnn2)ccc1-c1nnn[n-]1 ZINC001592068200 1173793974 /nfs/dbraw/zinc/79/39/74/1173793974.db2.gz VVDLYAISZKLKCD-UHFFFAOYSA-N -1 3 295.331 1.988 20 30 CDEDHM Cc1cc(Sc2cc(C#N)cnn2)ccc1-c1nn[n-]n1 ZINC001592068200 1173793979 /nfs/dbraw/zinc/79/39/79/1173793979.db2.gz VVDLYAISZKLKCD-UHFFFAOYSA-N -1 3 295.331 1.988 20 30 CDEDHM Cc1nsc(NCc2ccc(-c3nnn[n-]3)cn2)c1C#N ZINC001592492928 1173901990 /nfs/dbraw/zinc/90/19/90/1173901990.db2.gz FBELNZDIXFSCDS-UHFFFAOYSA-N -1 3 298.335 1.510 20 30 CDEDHM Cc1nsc(NCc2ccc(-c3nn[n-]n3)cn2)c1C#N ZINC001592492928 1173901992 /nfs/dbraw/zinc/90/19/92/1173901992.db2.gz FBELNZDIXFSCDS-UHFFFAOYSA-N -1 3 298.335 1.510 20 30 CDEDHM N#CC1(C(=O)Nc2cc(-c3nnn[n-]3)ccn2)CCCCC1 ZINC001592667485 1173960942 /nfs/dbraw/zinc/96/09/42/1173960942.db2.gz XTQLOIAIINEPMV-UHFFFAOYSA-N -1 3 297.322 1.674 20 30 CDEDHM N#CC1(C(=O)Nc2cc(-c3nn[n-]n3)ccn2)CCCCC1 ZINC001592667485 1173960945 /nfs/dbraw/zinc/96/09/45/1173960945.db2.gz XTQLOIAIINEPMV-UHFFFAOYSA-N -1 3 297.322 1.674 20 30 CDEDHM N#CC1(COC(=O)c2cnccc2-c2nnn[n-]2)CCC1 ZINC001592669763 1173960965 /nfs/dbraw/zinc/96/09/65/1173960965.db2.gz MORHTRXNBNHAJY-UHFFFAOYSA-N -1 3 284.279 1.112 20 30 CDEDHM N#CC1(COC(=O)c2cnccc2-c2nn[n-]n2)CCC1 ZINC001592669763 1173960969 /nfs/dbraw/zinc/96/09/69/1173960969.db2.gz MORHTRXNBNHAJY-UHFFFAOYSA-N -1 3 284.279 1.112 20 30 CDEDHM N#CCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001592671314 1173962316 /nfs/dbraw/zinc/96/23/16/1173962316.db2.gz CQRSXVBGKIUKFM-UHFFFAOYSA-N -1 3 283.295 1.293 20 30 CDEDHM N#C[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001592672954 1173962381 /nfs/dbraw/zinc/96/23/81/1173962381.db2.gz RMQKSPIWJCTSII-JTQLQIEISA-N -1 3 286.314 1.741 20 30 CDEDHM N#C[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001592672954 1173962385 /nfs/dbraw/zinc/96/23/85/1173962385.db2.gz RMQKSPIWJCTSII-JTQLQIEISA-N -1 3 286.314 1.741 20 30 CDEDHM N#CCCOCCN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592677430 1173968124 /nfs/dbraw/zinc/96/81/24/1173968124.db2.gz AKEWEDVTKGODCO-UHFFFAOYSA-N -1 3 298.350 1.550 20 30 CDEDHM N#Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)co1 ZINC001592687710 1173971464 /nfs/dbraw/zinc/97/14/64/1173971464.db2.gz AOZJDLRZKPNLKC-UHFFFAOYSA-N -1 3 281.231 1.551 20 30 CDEDHM N#Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)co1 ZINC001592687710 1173971469 /nfs/dbraw/zinc/97/14/69/1173971469.db2.gz AOZJDLRZKPNLKC-UHFFFAOYSA-N -1 3 281.231 1.551 20 30 CDEDHM C#C[C@H](C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602690678 1175353662 /nfs/dbraw/zinc/35/36/62/1175353662.db2.gz YNWAVCAQHKXOTE-JTQLQIEISA-N -1 3 296.334 1.177 20 30 CDEDHM C#C[C@H](C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602690678 1175353669 /nfs/dbraw/zinc/35/36/69/1175353669.db2.gz YNWAVCAQHKXOTE-JTQLQIEISA-N -1 3 296.334 1.177 20 30 CDEDHM C#C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001602690189 1175355631 /nfs/dbraw/zinc/35/56/31/1175355631.db2.gz RWIKUBMSXYKIFM-TVYUQYBPSA-N -1 3 281.319 1.108 20 30 CDEDHM C#C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001602690189 1175355640 /nfs/dbraw/zinc/35/56/40/1175355640.db2.gz RWIKUBMSXYKIFM-TVYUQYBPSA-N -1 3 281.319 1.108 20 30 CDEDHM C#Cc1ccc(CNc2ncc(-c3nnn[n-]3)cc2F)cc1 ZINC001602741712 1175380772 /nfs/dbraw/zinc/38/07/72/1175380772.db2.gz WZNBOZSLJLKRQG-UHFFFAOYSA-N -1 3 294.293 1.994 20 30 CDEDHM C#Cc1ccc(CNc2ncc(-c3nn[n-]n3)cc2F)cc1 ZINC001602741712 1175380777 /nfs/dbraw/zinc/38/07/77/1175380777.db2.gz WZNBOZSLJLKRQG-UHFFFAOYSA-N -1 3 294.293 1.994 20 30 CDEDHM C=CCCNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001602840957 1175426671 /nfs/dbraw/zinc/42/66/71/1175426671.db2.gz JIBQYTAAPTXGGN-UHFFFAOYSA-N -1 3 271.324 1.492 20 30 CDEDHM C=CCCNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001602840957 1175426673 /nfs/dbraw/zinc/42/66/73/1175426673.db2.gz JIBQYTAAPTXGGN-UHFFFAOYSA-N -1 3 271.324 1.492 20 30 CDEDHM C[C@H](C#N)CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602984235 1175471532 /nfs/dbraw/zinc/47/15/32/1175471532.db2.gz UPXIMYZPZXCZDZ-MRVPVSSYSA-N -1 3 287.283 1.371 20 30 CDEDHM C[C@H](C#N)CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602984235 1175471535 /nfs/dbraw/zinc/47/15/35/1175471535.db2.gz UPXIMYZPZXCZDZ-MRVPVSSYSA-N -1 3 287.283 1.371 20 30 CDEDHM CC(C)N(CCC#N)C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001603321273 1175540471 /nfs/dbraw/zinc/54/04/71/1175540471.db2.gz YRWPCAXZOLOOCW-UHFFFAOYSA-N -1 3 285.311 1.026 20 30 CDEDHM CC(C)N(CCC#N)C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001603321273 1175540475 /nfs/dbraw/zinc/54/04/75/1175540475.db2.gz YRWPCAXZOLOOCW-UHFFFAOYSA-N -1 3 285.311 1.026 20 30 CDEDHM C[C@H]1C[C@H]1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001603870763 1175661153 /nfs/dbraw/zinc/66/11/53/1175661153.db2.gz KPCREWMKHJSYGG-XPUUQOCRSA-N -1 3 287.352 1.464 20 30 CDEDHM C[C@H]1C[C@H]1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001603870763 1175661160 /nfs/dbraw/zinc/66/11/60/1175661160.db2.gz KPCREWMKHJSYGG-XPUUQOCRSA-N -1 3 287.352 1.464 20 30 CDEDHM CC[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001604111156 1175769337 /nfs/dbraw/zinc/76/93/37/1175769337.db2.gz AVQCVJQZSHOYSY-JQWIXIFHSA-N -1 3 298.350 1.742 20 30 CDEDHM CC[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001604111156 1175769344 /nfs/dbraw/zinc/76/93/44/1175769344.db2.gz AVQCVJQZSHOYSY-JQWIXIFHSA-N -1 3 298.350 1.742 20 30 CDEDHM N#CCCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001606347855 1163872422 /nfs/dbraw/zinc/87/24/22/1163872422.db2.gz DNAKIJWYUJRUAF-UHFFFAOYSA-N -1 3 289.270 1.995 20 30 CDEDHM N#CCCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001606347855 1163872430 /nfs/dbraw/zinc/87/24/30/1163872430.db2.gz DNAKIJWYUJRUAF-UHFFFAOYSA-N -1 3 289.270 1.995 20 30 CDEDHM N#CCCOCCN1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-] ZINC001608184575 1164440838 /nfs/dbraw/zinc/44/08/38/1164440838.db2.gz QCMSVTNGUQOPLD-CQSZACIVSA-N -1 3 290.319 1.134 20 30 CDEDHM C#C[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609019198 1164725627 /nfs/dbraw/zinc/72/56/27/1164725627.db2.gz PBKHATOMUGQXDI-SSDOTTSWSA-N -1 3 290.714 1.663 20 30 CDEDHM C#C[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609019198 1164725631 /nfs/dbraw/zinc/72/56/31/1164725631.db2.gz PBKHATOMUGQXDI-SSDOTTSWSA-N -1 3 290.714 1.663 20 30 CDEDHM C=C(Cl)COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609051912 1164742907 /nfs/dbraw/zinc/74/29/07/1164742907.db2.gz BALYUKKKFWLOLW-UHFFFAOYSA-N -1 3 264.672 1.776 20 30 CDEDHM C=C(Cl)COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609051912 1164742914 /nfs/dbraw/zinc/74/29/14/1164742914.db2.gz BALYUKKKFWLOLW-UHFFFAOYSA-N -1 3 264.672 1.776 20 30 CDEDHM C=CC[C@H](CO)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609053910 1164747236 /nfs/dbraw/zinc/74/72/36/1164747236.db2.gz UYRPXZFVWMCKTR-JTQLQIEISA-N -1 3 284.323 1.335 20 30 CDEDHM C=CC[C@H](CO)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609053910 1164747245 /nfs/dbraw/zinc/74/72/45/1164747245.db2.gz UYRPXZFVWMCKTR-JTQLQIEISA-N -1 3 284.323 1.335 20 30 CDEDHM C=CCCC(=O)COc1cc(OC)cc(-c2nnn[n-]2)c1 ZINC001609053867 1164747464 /nfs/dbraw/zinc/74/74/64/1164747464.db2.gz RZJZYSCWNFPZLV-UHFFFAOYSA-N -1 3 288.307 1.789 20 30 CDEDHM C=CCCC(=O)COc1cc(OC)cc(-c2nn[n-]n2)c1 ZINC001609053867 1164747469 /nfs/dbraw/zinc/74/74/69/1164747469.db2.gz RZJZYSCWNFPZLV-UHFFFAOYSA-N -1 3 288.307 1.789 20 30 CDEDHM CC[C@](C)(C#N)C(=O)OCc1ccc(-c2nnn[n-]2)cn1 ZINC001609183042 1164822779 /nfs/dbraw/zinc/82/27/79/1164822779.db2.gz STJZWYOCMXSADP-CYBMUJFWSA-N -1 3 286.295 1.245 20 30 CDEDHM CC[C@](C)(C#N)C(=O)OCc1ccc(-c2nn[n-]n2)cn1 ZINC001609183042 1164822782 /nfs/dbraw/zinc/82/27/82/1164822782.db2.gz STJZWYOCMXSADP-CYBMUJFWSA-N -1 3 286.295 1.245 20 30 CDEDHM C=CCn1cc(C(=O)[N-]c2nc(C(C)C)ns2)nn1 ZINC000874691912 1165654669 /nfs/dbraw/zinc/65/46/69/1165654669.db2.gz MWLXEOCNWDOIOX-UHFFFAOYSA-N -1 3 278.341 1.691 20 30 CDEDHM CC#CC[C@H](NCc1cccc(OCC)n1)C(=O)[O-] ZINC001119551039 1167018909 /nfs/dbraw/zinc/01/89/09/1167018909.db2.gz QSIIYESITFWFOR-LBPRGKRZSA-N -1 3 262.309 1.437 20 30 CDEDHM CCC[C@](C)(NC(=O)[C@@H](N)CCCCC#N)C(=O)[O-] ZINC000691571347 976368991 /nfs/dbraw/zinc/36/89/91/976368991.db2.gz ONRNUGQXYHMROJ-GWCFXTLKSA-N -1 3 269.345 1.157 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1cscc1-c1nnn[n-]1 ZINC001602690684 1167826521 /nfs/dbraw/zinc/82/65/21/1167826521.db2.gz YOYQYBZQWJAREQ-ZETCQYMHSA-N -1 3 261.310 1.070 20 30 CDEDHM C#C[C@@H](CC)NC(=O)c1cscc1-c1nn[n-]n1 ZINC001602690684 1167826530 /nfs/dbraw/zinc/82/65/30/1167826530.db2.gz YOYQYBZQWJAREQ-ZETCQYMHSA-N -1 3 261.310 1.070 20 30 CDEDHM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC#Cc1ccc(F)cc1 ZINC001604637845 1167861474 /nfs/dbraw/zinc/86/14/74/1167861474.db2.gz TWHCEZQDYZAKDQ-RISCZKNCSA-N -1 3 261.296 1.972 20 30 CDEDHM C=CC[C@@H](CO)CNCc1cc(C(=O)[O-])c(CC)o1 ZINC001609290745 1167941303 /nfs/dbraw/zinc/94/13/03/1167941303.db2.gz WAZYVDKTBAXGRK-SNVBAGLBSA-N -1 3 267.325 1.814 20 30 CDEDHM CSc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(N)c1C#N ZINC001175429498 913609361 /nfs/dbraw/zinc/60/93/61/913609361.db2.gz ZTKFSQSHRQKOBM-UHFFFAOYSA-N -1 3 298.335 1.228 20 30 CDEDHM C=CCO[N-]C(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000837048746 899809645 /nfs/dbraw/zinc/80/96/45/899809645.db2.gz WIGFMRHPVFEUSX-UHFFFAOYSA-N -1 3 274.320 1.811 20 30 CDEDHM N#Cc1ccc(Cl)c([N-]c2nccnc2CN)n1 ZINC001171448092 910659591 /nfs/dbraw/zinc/65/95/91/910659591.db2.gz CRBMXRFUHSPRAU-UHFFFAOYSA-N -1 3 260.688 1.599 20 30 CDEDHM C#C[C@@H](NC(=O)c1ccc(O)cc1[O-])[C@H]1CCCO1 ZINC000775333887 921719279 /nfs/dbraw/zinc/71/92/79/921719279.db2.gz XMDVNOLINTUGTC-DGCLKSJQSA-N -1 3 261.277 1.008 20 30 CDEDHM C[C@H](CNC(=O)c1ccccc1[O-])Nc1ccc(C#N)nc1 ZINC001097675738 936335655 /nfs/dbraw/zinc/33/56/55/936335655.db2.gz ZYOPXUSVBBJHMD-LLVKDONJSA-N -1 3 296.330 1.889 20 30 CDEDHM N#Cc1cc(NC(=O)Cn2nc3ccccc3n2)ccc1[O-] ZINC001180297789 916265393 /nfs/dbraw/zinc/26/53/93/916265393.db2.gz IKCGQQYICJCWLI-UHFFFAOYSA-N -1 3 293.286 1.647 20 30 CDEDHM CCOC(=O)C(C)(C)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001181058321 916790697 /nfs/dbraw/zinc/79/06/97/916790697.db2.gz YYCRSZCNBDBSAR-UHFFFAOYSA-N -1 3 276.292 1.792 20 30 CDEDHM C#CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000070119074 917151898 /nfs/dbraw/zinc/15/18/98/917151898.db2.gz DQUMVVSTILKDSE-UHFFFAOYSA-N -1 3 286.284 1.424 20 30 CDEDHM C=C(Cl)CN1CC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001038074628 917505927 /nfs/dbraw/zinc/50/59/27/917505927.db2.gz QGTVEUFWNOKBEC-NSHDSACASA-N -1 3 280.755 1.949 20 30 CDEDHM N#Cc1cc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)ccc1[O-] ZINC001182459642 917897779 /nfs/dbraw/zinc/89/77/79/917897779.db2.gz SZZPPHXQSFTBDA-LBPRGKRZSA-N -1 3 299.330 1.461 20 30 CDEDHM C=C(Cl)CN[C@H]1CN(C(=O)c2n[nH]c(C)c2[O-])C[C@@H]1C ZINC001054584921 936463934 /nfs/dbraw/zinc/46/39/34/936463934.db2.gz YEVXFOBLOCCFBR-XVKPBYJWSA-N -1 3 298.774 1.226 20 30 CDEDHM Cc1noc([N-]C(=O)[C@@H](O)c2ccc3c(c2)CCO3)c1C#N ZINC001182653387 918061026 /nfs/dbraw/zinc/06/10/26/918061026.db2.gz DSHXOOXPLTUZLH-ZDUSSCGKSA-N -1 3 299.286 1.462 20 30 CDEDHM C[C@H](CNc1cnc(C#N)cn1)NC(=O)c1ccccc1[O-] ZINC001107627060 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575936460 /nfs/dbraw/zinc/93/64/60/575936460.db2.gz LBXOHNJHYGQERI-GFCCVEGCSA-N -1 3 266.366 1.934 20 30 CDEDHM CCC(=N[N-]S(C)(=O)=O)c1ccc(CC)cc1 ZINC000764705422 575936779 /nfs/dbraw/zinc/93/67/79/575936779.db2.gz XDKXFTSIGYEBNQ-UHFFFAOYSA-N -1 3 254.355 1.912 20 30 CDEDHM Cn1ccnc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737615026 576002313 /nfs/dbraw/zinc/00/23/13/576002313.db2.gz DKUMXOZOMLJXPV-DAXSKMNVSA-N -1 3 280.291 1.496 20 30 CDEDHM Cn1ccnc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737615026 576002315 /nfs/dbraw/zinc/00/23/15/576002315.db2.gz DKUMXOZOMLJXPV-DAXSKMNVSA-N -1 3 280.291 1.496 20 30 CDEDHM N#Cc1cc(NC(=O)c2ccoc2)ccc1-c1nnn[n-]1 ZINC000737709357 576007873 /nfs/dbraw/zinc/00/78/73/576007873.db2.gz NLTVMEGSCMHXDC-UHFFFAOYSA-N -1 3 280.247 1.584 20 30 CDEDHM N#Cc1cc(NC(=O)c2ccoc2)ccc1-c1nn[n-]n1 ZINC000737709357 576007874 /nfs/dbraw/zinc/00/78/74/576007874.db2.gz NLTVMEGSCMHXDC-UHFFFAOYSA-N -1 3 280.247 1.584 20 30 CDEDHM C#CCCN(CC(F)(F)F)C(=O)c1ccc2n[n-]nc2c1 ZINC000768616314 576300269 /nfs/dbraw/zinc/30/02/69/576300269.db2.gz SXNAXFGGWXIIRA-UHFFFAOYSA-N -1 3 296.252 1.986 20 30 CDEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1cccnc1 ZINC000759459393 576391659 /nfs/dbraw/zinc/39/16/59/576391659.db2.gz VZIRBAFMLQQDPS-QMAVJUDZSA-N -1 3 280.287 1.420 20 30 CDEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1cccnc1 ZINC000759459393 576391661 /nfs/dbraw/zinc/39/16/61/576391661.db2.gz VZIRBAFMLQQDPS-QMAVJUDZSA-N -1 3 280.287 1.420 20 30 CDEDHM O=C1CN(N=Cc2csc(Cl)c2Cl)C(=O)[N-]1 ZINC000761786508 576593604 /nfs/dbraw/zinc/59/36/04/576593604.db2.gz QLTIDXIBZAFPOY-UHFFFAOYSA-N -1 3 278.120 1.941 20 30 CDEDHM CN(C)c1ccc2c(c1)NC(=O)C2=N[N-]c1cccnn1 ZINC000761818752 576595358 /nfs/dbraw/zinc/59/53/58/576595358.db2.gz XPPRZDDAEXIEMT-UHFFFAOYSA-N -1 3 282.307 1.311 20 30 CDEDHM O=C1CN(N=Cc2ccccc2Br)C(=O)[N-]1 ZINC000744806926 576698585 /nfs/dbraw/zinc/69/85/85/576698585.db2.gz BLFSGMRHBVWFBZ-UHFFFAOYSA-N -1 3 282.097 1.335 20 30 CDEDHM COc1nccnc1N=NCc1cc(F)ccc1[O-] ZINC000763411444 576735351 /nfs/dbraw/zinc/73/53/51/576735351.db2.gz JRBBYFVSGJYOKN-UHFFFAOYSA-N -1 3 262.244 1.776 20 30 CDEDHM Cc1ccc2c(c1)C(=N[N-]S(C)(=O)=O)CCC2 ZINC000753927887 576866212 /nfs/dbraw/zinc/86/62/12/576866212.db2.gz GWKYEBZEFPGVPD-UHFFFAOYSA-N -1 3 252.339 1.585 20 30 CDEDHM CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1[O-] ZINC000753936355 576867170 /nfs/dbraw/zinc/86/71/70/576867170.db2.gz RYFRUVCYFGZOJO-STQMWFEESA-N -1 3 272.352 1.976 20 30 CDEDHM CC#CCOC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000754272853 576889336 /nfs/dbraw/zinc/88/93/36/576889336.db2.gz XKIPOTSKGSLXGX-UHFFFAOYSA-N -1 3 250.250 1.590 20 30 CDEDHM CNC(=S)NN=C(C)c1ccc(N2CCCC2)cc1[O-] ZINC000748246037 576903121 /nfs/dbraw/zinc/90/31/21/576903121.db2.gz HUGXVTZPUBIRCW-UHFFFAOYSA-N -1 3 292.408 1.810 20 30 CDEDHM Cc1ncc(CO)c(/C=N\CCCNC(=O)C(C)C)c1[O-] ZINC000755377107 576942129 /nfs/dbraw/zinc/94/21/29/576942129.db2.gz WWBQTAHZZQVHIX-PXNMLYILSA-N -1 3 293.367 1.169 20 30 CDEDHM [O-]c1ccc(F)cc1C=Nn1c(=S)[nH][nH]c1=S ZINC000755609224 576951968 /nfs/dbraw/zinc/95/19/68/576951968.db2.gz SLZMUCSXVNYFLU-UHFFFAOYSA-N -1 3 270.314 1.582 20 30 CDEDHM [O-]c1ccc(C=NNC(=S)NCC(F)(F)F)cc1F ZINC000755674775 576954849 /nfs/dbraw/zinc/95/48/49/576954849.db2.gz SVEDLPCBTCKURJ-UHFFFAOYSA-N -1 3 295.261 1.892 20 30 CDEDHM C#CCOCC[N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1 ZINC000753229444 577155007 /nfs/dbraw/zinc/15/50/07/577155007.db2.gz BVURRLFAHZLRPK-UHFFFAOYSA-N -1 3 297.257 1.237 20 30 CDEDHM C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCC(=O)[O-] ZINC000817733593 596996782 /nfs/dbraw/zinc/99/67/82/596996782.db2.gz JPNJPOOGADPBTN-LLVKDONJSA-N -1 3 281.356 1.124 20 30 CDEDHM C[C@@H](C#N)COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819857062 607323159 /nfs/dbraw/zinc/32/31/59/607323159.db2.gz OKUUAOIYQBJFJS-QMMMGPOBSA-N -1 3 257.253 1.183 20 30 CDEDHM C[C@@H](C#N)COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819857062 607323160 /nfs/dbraw/zinc/32/31/60/607323160.db2.gz OKUUAOIYQBJFJS-QMMMGPOBSA-N -1 3 257.253 1.183 20 30 CDEDHM C[C@H](C#N)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819844743 599552343 /nfs/dbraw/zinc/55/23/43/599552343.db2.gz LUHFVSJJZBFIQS-RKDXNWHRSA-N -1 3 270.296 1.204 20 30 CDEDHM CC#CCOC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819765348 599650188 /nfs/dbraw/zinc/65/01/88/599650188.db2.gz OSLRRPPDFKEPKP-SNVBAGLBSA-N -1 3 286.291 1.201 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@@H]2CCCCO2)cc1-c1nnn[n-]1 ZINC000822830173 607395869 /nfs/dbraw/zinc/39/58/69/607395869.db2.gz WJQYRSMLPAEQHG-LBPRGKRZSA-N -1 3 298.306 1.246 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@@H]2CCCCO2)cc1-c1nn[n-]n1 ZINC000822830173 607395871 /nfs/dbraw/zinc/39/58/71/607395871.db2.gz WJQYRSMLPAEQHG-LBPRGKRZSA-N -1 3 298.306 1.246 20 30 CDEDHM C=CCOCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823924962 607415296 /nfs/dbraw/zinc/41/52/96/607415296.db2.gz BWZOZRFTEAIABB-UHFFFAOYSA-N -1 3 299.334 1.175 20 30 CDEDHM C=CCOCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823924962 607415297 /nfs/dbraw/zinc/41/52/97/607415297.db2.gz BWZOZRFTEAIABB-UHFFFAOYSA-N -1 3 299.334 1.175 20 30 CDEDHM CCN(CCC#N)C(=O)c1sccc1-c1nnn[n-]1 ZINC000825418972 607464282 /nfs/dbraw/zinc/46/42/82/607464282.db2.gz BISYMPRKLBWGCM-UHFFFAOYSA-N -1 3 276.325 1.304 20 30 CDEDHM CCN(CCC#N)C(=O)c1sccc1-c1nn[n-]n1 ZINC000825418972 607464283 /nfs/dbraw/zinc/46/42/83/607464283.db2.gz BISYMPRKLBWGCM-UHFFFAOYSA-N -1 3 276.325 1.304 20 30 CDEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001602690407 1175356326 /nfs/dbraw/zinc/35/63/26/1175356326.db2.gz VAVDUNXPWLMMIS-CQSZACIVSA-N -1 3 284.323 1.790 20 30 CDEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001602690407 1175356335 /nfs/dbraw/zinc/35/63/35/1175356335.db2.gz VAVDUNXPWLMMIS-CQSZACIVSA-N -1 3 284.323 1.790 20 30 CDEDHM C#CCCCNc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001602711082 1175368832 /nfs/dbraw/zinc/36/88/32/1175368832.db2.gz FHWQVXJTRHHRTG-UHFFFAOYSA-N -1 3 257.297 1.701 20 30 CDEDHM C#CCCCNc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001602711082 1175368837 /nfs/dbraw/zinc/36/88/37/1175368837.db2.gz FHWQVXJTRHHRTG-UHFFFAOYSA-N -1 3 257.297 1.701 20 30 CDEDHM C#CCCOC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001602714718 1175370630 /nfs/dbraw/zinc/37/06/30/1175370630.db2.gz ZVMPJLCUBBOBMA-UHFFFAOYSA-N -1 3 270.292 1.664 20 30 CDEDHM C#CCCOC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001602714718 1175370633 /nfs/dbraw/zinc/37/06/33/1175370633.db2.gz ZVMPJLCUBBOBMA-UHFFFAOYSA-N -1 3 270.292 1.664 20 30 CDEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822818510 606269875 /nfs/dbraw/zinc/26/98/75/606269875.db2.gz AXAAVZRORJTEOK-UHFFFAOYSA-N -1 3 297.253 1.458 20 30 CDEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822818510 606269877 /nfs/dbraw/zinc/26/98/77/606269877.db2.gz AXAAVZRORJTEOK-UHFFFAOYSA-N -1 3 297.253 1.458 20 30 CDEDHM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCCC1 ZINC000822802111 606363469 /nfs/dbraw/zinc/36/34/69/606363469.db2.gz VOFJDNYWSBRVTJ-LBPRGKRZSA-N -1 3 299.338 1.397 20 30 CDEDHM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCCC1 ZINC000822802111 606363471 /nfs/dbraw/zinc/36/34/71/606363471.db2.gz VOFJDNYWSBRVTJ-LBPRGKRZSA-N -1 3 299.338 1.397 20 30 CDEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819899577 606433783 /nfs/dbraw/zinc/43/37/83/606433783.db2.gz XNAZCNFKHBVRRM-LLVKDONJSA-N -1 3 284.323 1.535 20 30 CDEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819899577 606433784 /nfs/dbraw/zinc/43/37/84/606433784.db2.gz XNAZCNFKHBVRRM-LLVKDONJSA-N -1 3 284.323 1.535 20 30 CDEDHM CC(C)[C@](C)(C#N)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820015519 606542449 /nfs/dbraw/zinc/54/24/49/606542449.db2.gz DLBIHLFSTRDQRP-HNNXBMFYSA-N -1 3 298.350 1.464 20 30 CDEDHM CC(C)[C@](C)(C#N)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820015519 606542451 /nfs/dbraw/zinc/54/24/51/606542451.db2.gz DLBIHLFSTRDQRP-HNNXBMFYSA-N -1 3 298.350 1.464 20 30 CDEDHM CN(CCC#N)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821597637 607069916 /nfs/dbraw/zinc/06/99/16/607069916.db2.gz BQZCYPTZMPZGHX-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM CN(CCC#N)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821597637 607069917 /nfs/dbraw/zinc/06/99/17/607069917.db2.gz BQZCYPTZMPZGHX-UHFFFAOYSA-N -1 3 260.276 1.351 20 30 CDEDHM Cc1nc(-c2cccc(-c3nnn[n-]3)c2)nn1CCC#N ZINC000826322584 607869276 /nfs/dbraw/zinc/86/92/76/607869276.db2.gz SNQKWGRXHSEXDP-UHFFFAOYSA-N -1 3 280.295 1.347 20 30 CDEDHM Cc1nc(-c2cccc(-c3nn[n-]n3)c2)nn1CCC#N ZINC000826322584 607869277 /nfs/dbraw/zinc/86/92/77/607869277.db2.gz SNQKWGRXHSEXDP-UHFFFAOYSA-N -1 3 280.295 1.347 20 30 CDEDHM CCCNN=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825333119 609275965 /nfs/dbraw/zinc/27/59/65/609275965.db2.gz RZXVWTCKMGNWMX-UHFFFAOYSA-N -1 3 262.292 1.729 20 30 CDEDHM CCCNN=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825333119 609275966 /nfs/dbraw/zinc/27/59/66/609275966.db2.gz RZXVWTCKMGNWMX-UHFFFAOYSA-N -1 3 262.292 1.729 20 30 CDEDHM Cc1c(NC(=O)NCC(C)(C)C#N)cccc1-c1nnn[n-]1 ZINC000826241458 609406496 /nfs/dbraw/zinc/40/64/96/609406496.db2.gz DQUDDKSFUBCYKR-UHFFFAOYSA-N -1 3 299.338 1.846 20 30 CDEDHM Cc1c(NC(=O)NCC(C)(C)C#N)cccc1-c1nn[n-]n1 ZINC000826241458 609406498 /nfs/dbraw/zinc/40/64/98/609406498.db2.gz DQUDDKSFUBCYKR-UHFFFAOYSA-N -1 3 299.338 1.846 20 30 CDEDHM Cc1c(Cl)cnc(N[C@@H](C)CC#N)c1-c1nnn[n-]1 ZINC000826239140 609545267 /nfs/dbraw/zinc/54/52/67/609545267.db2.gz YTZRMUMLHFNAGV-LURJTMIESA-N -1 3 277.719 1.938 20 30 CDEDHM Cc1c(Cl)cnc(N[C@@H](C)CC#N)c1-c1nn[n-]n1 ZINC000826239140 609545268 /nfs/dbraw/zinc/54/52/68/609545268.db2.gz YTZRMUMLHFNAGV-LURJTMIESA-N -1 3 277.719 1.938 20 30 CDEDHM C#CCN1CC([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC000969308891 613120555 /nfs/dbraw/zinc/12/05/55/613120555.db2.gz VHWFOQQTIHLAAA-LLVKDONJSA-N -1 3 258.321 1.076 20 30 CDEDHM Cc1cc(F)c(C#N)c(N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000893159630 617419088 /nfs/dbraw/zinc/41/90/88/617419088.db2.gz QRIVSQJTFPKWKX-VIFPVBQESA-N -1 3 274.303 1.759 20 30 CDEDHM Cc1cc(F)c(C#N)c(N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000893159630 617419090 /nfs/dbraw/zinc/41/90/90/617419090.db2.gz QRIVSQJTFPKWKX-VIFPVBQESA-N -1 3 274.303 1.759 20 30 CDEDHM N#CCc1cccc(C(=O)N2CCCc3c(=O)[n-]cnc32)c1 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C=CCOCCOC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000797323171 620498932 /nfs/dbraw/zinc/49/89/32/620498932.db2.gz CYSLTZLZZHOENQ-UHFFFAOYSA-N -1 3 299.348 1.418 20 30 CDEDHM C#CCSCC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC000898094565 621315849 /nfs/dbraw/zinc/31/58/49/621315849.db2.gz QDGKGVWWPFGKIQ-UHFFFAOYSA-N -1 3 295.364 1.670 20 30 CDEDHM C#CCSCC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC000898094565 621315853 /nfs/dbraw/zinc/31/58/53/621315853.db2.gz QDGKGVWWPFGKIQ-UHFFFAOYSA-N -1 3 295.364 1.670 20 30 CDEDHM C=C[C@@H](CC(=O)NCCCc1c[n-][nH]c1=O)c1ccccc1 ZINC000898736876 621857077 /nfs/dbraw/zinc/85/70/77/621857077.db2.gz KGMJUFLWBDIPFB-ZFWWWQNUSA-N -1 3 299.374 1.975 20 30 CDEDHM Cn1c(=O)cccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371932 624202920 /nfs/dbraw/zinc/20/29/20/624202920.db2.gz KZBDRNHQDYOLML-UHFFFAOYSA-N -1 3 276.267 1.556 20 30 CDEDHM O=C(C1CC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904182642 626206276 /nfs/dbraw/zinc/20/62/76/626206276.db2.gz KUVSRBIUCDNHNM-UHFFFAOYSA-N -1 3 288.303 1.301 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ZINC001588782059 1173103920 /nfs/dbraw/zinc/10/39/20/1173103920.db2.gz OYUJLKJYVWFBCM-UHFFFAOYSA-N -1 3 293.352 1.848 20 30 CDEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)CC#N ZINC001589788379 1173181455 /nfs/dbraw/zinc/18/14/55/1173181455.db2.gz XNLMYTOSECVIMM-MNOVXSKESA-N -1 3 298.350 1.464 20 30 CDEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)CC#N ZINC001589788379 1173181459 /nfs/dbraw/zinc/18/14/59/1173181459.db2.gz XNLMYTOSECVIMM-MNOVXSKESA-N -1 3 298.350 1.464 20 30 CDEDHM C[C@H](CC#N)NCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001589788222 1173182356 /nfs/dbraw/zinc/18/23/56/1173182356.db2.gz VSDGLOVHGMGJHA-MRVPVSSYSA-N -1 3 276.731 1.912 20 30 CDEDHM C[C@H](NCC1(C#N)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589978571 1173221373 /nfs/dbraw/zinc/22/13/73/1173221373.db2.gz OWCODPXTIBHERW-VIFPVBQESA-N -1 3 286.314 1.960 20 30 CDEDHM C[C@H](NCC1(C#N)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589978571 1173221378 /nfs/dbraw/zinc/22/13/78/1173221378.db2.gz OWCODPXTIBHERW-VIFPVBQESA-N -1 3 286.314 1.960 20 30 CDEDHM CC1(C)OCC[C@@H]1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC001590116561 1173262258 /nfs/dbraw/zinc/26/22/58/1173262258.db2.gz CMTLQUYTDODAGY-JTQLQIEISA-N -1 3 292.368 1.419 20 30 CDEDHM CC1(C)OCC[C@@H]1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC001590116561 1173262263 /nfs/dbraw/zinc/26/22/63/1173262263.db2.gz CMTLQUYTDODAGY-JTQLQIEISA-N -1 3 292.368 1.419 20 30 CDEDHM CC[C@H](C#N)C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001590367136 1173377791 /nfs/dbraw/zinc/37/77/91/1173377791.db2.gz DEFUXIZQTWTIRU-LLVKDONJSA-N -1 3 284.323 1.341 20 30 CDEDHM CC[C@H](C#N)C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001590367136 1173377796 /nfs/dbraw/zinc/37/77/96/1173377796.db2.gz DEFUXIZQTWTIRU-LLVKDONJSA-N -1 3 284.323 1.341 20 30 CDEDHM CC[C@H](CC#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001590419076 1173401829 /nfs/dbraw/zinc/40/18/29/1173401829.db2.gz CBGJKPHXQNQXEY-ABZNLYFFSA-N -1 3 296.334 1.688 20 30 CDEDHM CC[C@H](CC#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001590419076 1173401831 /nfs/dbraw/zinc/40/18/31/1173401831.db2.gz CBGJKPHXQNQXEY-ABZNLYFFSA-N -1 3 296.334 1.688 20 30 CDEDHM COc1cc(CNC(=O)C#CC(C)C)ccc1-c1nnn[n-]1 ZINC001591528053 1173666207 /nfs/dbraw/zinc/66/62/07/1173666207.db2.gz TUTURZLJWWRABX-UHFFFAOYSA-N -1 3 299.334 1.151 20 30 CDEDHM COc1cc(CNC(=O)C#CC(C)C)ccc1-c1nn[n-]n1 ZINC001591528053 1173666210 /nfs/dbraw/zinc/66/62/10/1173666210.db2.gz TUTURZLJWWRABX-UHFFFAOYSA-N -1 3 299.334 1.151 20 30 CDEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N(CCC#N)CC1CC1 ZINC001591779429 1173701132 /nfs/dbraw/zinc/70/11/32/1173701132.db2.gz RNAXUQVKKAWFLX-UHFFFAOYSA-N -1 3 299.338 1.269 20 30 CDEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N(CCC#N)CC1CC1 ZINC001591779429 1173701138 /nfs/dbraw/zinc/70/11/38/1173701138.db2.gz RNAXUQVKKAWFLX-UHFFFAOYSA-N -1 3 299.338 1.269 20 30 CDEDHM Cc1cc(C=CC(=O)c2cnn(C)c2)ccc1-c1nnn[n-]1 ZINC001591960085 1173757720 /nfs/dbraw/zinc/75/77/20/1173757720.db2.gz ZQTPNDDXSUADGD-GQCTYLIASA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1cc(C=CC(=O)c2cnn(C)c2)ccc1-c1nn[n-]n1 ZINC001591960085 1173757726 /nfs/dbraw/zinc/75/77/26/1173757726.db2.gz ZQTPNDDXSUADGD-GQCTYLIASA-N -1 3 294.318 1.805 20 30 CDEDHM Cc1cc2c(NC(=O)[C@@H](C)C#N)n[nH]c2cc1-c1nnn[n-]1 ZINC001592069986 1173793656 /nfs/dbraw/zinc/79/36/56/1173793656.db2.gz HBACSQOLSAMWSE-ZETCQYMHSA-N -1 3 296.294 1.150 20 30 CDEDHM Cc1cc2c(NC(=O)[C@@H](C)C#N)n[nH]c2cc1-c1nn[n-]n1 ZINC001592069986 1173793663 /nfs/dbraw/zinc/79/36/63/1173793663.db2.gz HBACSQOLSAMWSE-ZETCQYMHSA-N -1 3 296.294 1.150 20 30 CDEDHM Cc1nnc([C@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)[nH]1 ZINC001592440362 1173889341 /nfs/dbraw/zinc/88/93/41/1173889341.db2.gz CQCKJULECCGYBL-ZETCQYMHSA-N -1 3 295.310 1.338 20 30 CDEDHM Cn1cc(NN=C2CCc3ccc(-c4nn[n-]n4)cc32)cn1 ZINC001592574370 1173922716 /nfs/dbraw/zinc/92/27/16/1173922716.db2.gz FOKVHPJYSQXWFZ-UHFFFAOYSA-N -1 3 294.322 1.363 20 30 CDEDHM Fc1cc(-c2nnn[n-]2)ccc1CON=C[C@H]1CCCO1 ZINC001592636665 1173944113 /nfs/dbraw/zinc/94/41/13/1173944113.db2.gz PLSSWZBLRQJLDJ-LLVKDONJSA-N -1 3 291.286 1.687 20 30 CDEDHM Fc1cc(-c2nn[n-]n2)ccc1CON=C[C@H]1CCCO1 ZINC001592636665 1173944116 /nfs/dbraw/zinc/94/41/16/1173944116.db2.gz PLSSWZBLRQJLDJ-LLVKDONJSA-N -1 3 291.286 1.687 20 30 CDEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001592673138 1173964172 /nfs/dbraw/zinc/96/41/72/1173964172.db2.gz VCICIKZGGLMOFG-SCZZXKLOSA-N -1 3 286.295 1.434 20 30 CDEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001592673138 1173964177 /nfs/dbraw/zinc/96/41/77/1173964177.db2.gz VCICIKZGGLMOFG-SCZZXKLOSA-N -1 3 286.295 1.434 20 30 CDEDHM N#CCCCNC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592676157 1173966133 /nfs/dbraw/zinc/96/61/33/1173966133.db2.gz BRXVVGCJJHQWKL-UHFFFAOYSA-N -1 3 297.322 1.196 20 30 CDEDHM N#CCCCNC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592676157 1173966140 /nfs/dbraw/zinc/96/61/40/1173966140.db2.gz BRXVVGCJJHQWKL-UHFFFAOYSA-N -1 3 297.322 1.196 20 30 CDEDHM N#CCCNc1ccc(-c2nn[n-]n2)cc1Br ZINC001592677432 1173969204 /nfs/dbraw/zinc/96/92/04/1173969204.db2.gz APAUXUXXDKSVOS-UHFFFAOYSA-N -1 3 293.128 1.955 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@]23C[C@H]2CCC3)cc1-c1nnn[n-]1 ZINC001592695349 1173970951 /nfs/dbraw/zinc/97/09/51/1173970951.db2.gz SYQQWNLNIQRVML-MEBBXXQBSA-N -1 3 294.318 1.867 20 30 CDEDHM N#Cc1ccc(NC(=O)[C@]23C[C@H]2CCC3)cc1-c1nn[n-]n1 ZINC001592695349 1173970955 /nfs/dbraw/zinc/97/09/55/1173970955.db2.gz SYQQWNLNIQRVML-MEBBXXQBSA-N -1 3 294.318 1.867 20 30 CDEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1cccc(N)n1 ZINC001592699956 1173975402 /nfs/dbraw/zinc/97/54/02/1173975402.db2.gz UKUPLNDKYUVBIG-UHFFFAOYSA-N -1 3 292.306 1.328 20 30 CDEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1cccc(N)n1 ZINC001592699956 1173975405 /nfs/dbraw/zinc/97/54/05/1173975405.db2.gz UKUPLNDKYUVBIG-UHFFFAOYSA-N -1 3 292.306 1.328 20 30 CDEDHM N#CC1(C(=O)[O-])CCN(CCOCC2CC2)CC1 ZINC001601051927 1174715882 /nfs/dbraw/zinc/71/58/82/1174715882.db2.gz HMYOCXFEEXUTBS-UHFFFAOYSA-N -1 3 252.314 1.103 20 30 CDEDHM C#CC[C@@H](CCOC)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001602697483 1175362735 /nfs/dbraw/zinc/36/27/35/1175362735.db2.gz NLAABWOXWMQMQE-JTQLQIEISA-N -1 3 290.302 1.241 20 30 CDEDHM C#CC[C@@H](CCOC)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001602697483 1175362741 /nfs/dbraw/zinc/36/27/41/1175362741.db2.gz NLAABWOXWMQMQE-JTQLQIEISA-N -1 3 290.302 1.241 20 30 CDEDHM C#CCN(C)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001602716829 1175370812 /nfs/dbraw/zinc/37/08/12/1175370812.db2.gz RWHABZPCMMXBMJ-UHFFFAOYSA-N -1 3 262.704 1.293 20 30 CDEDHM C#CCN(C)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001602716829 1175370815 /nfs/dbraw/zinc/37/08/15/1175370815.db2.gz RWHABZPCMMXBMJ-UHFFFAOYSA-N -1 3 262.704 1.293 20 30 CDEDHM C#CCN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001602716778 1175371581 /nfs/dbraw/zinc/37/15/81/1175371581.db2.gz PMNFJRDWQPJLOL-UHFFFAOYSA-N -1 3 274.259 1.103 20 30 CDEDHM C#CCN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001602716778 1175371584 /nfs/dbraw/zinc/37/15/84/1175371584.db2.gz PMNFJRDWQPJLOL-UHFFFAOYSA-N -1 3 274.259 1.103 20 30 CDEDHM C#CCN(C)C(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001602716908 1175371793 /nfs/dbraw/zinc/37/17/93/1175371793.db2.gz UTKQIOLHADANLT-UHFFFAOYSA-N -1 3 276.325 1.334 20 30 CDEDHM C#CCN(C)C(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001602716908 1175371798 /nfs/dbraw/zinc/37/17/98/1175371798.db2.gz UTKQIOLHADANLT-UHFFFAOYSA-N -1 3 276.325 1.334 20 30 CDEDHM C=CCN(CCC#N)Cc1ccccc1-c1nnn[n-]1 ZINC001602852234 1175434782 /nfs/dbraw/zinc/43/47/82/1175434782.db2.gz MYFNCPJYAFZEAZ-UHFFFAOYSA-N -1 3 268.324 1.768 20 30 CDEDHM C=CCN(CCC#N)Cc1ccccc1-c1nn[n-]n1 ZINC001602852234 1175434786 /nfs/dbraw/zinc/43/47/86/1175434786.db2.gz MYFNCPJYAFZEAZ-UHFFFAOYSA-N -1 3 268.324 1.768 20 30 CDEDHM C[C@@H](C#N)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001602990457 1175473475 /nfs/dbraw/zinc/47/34/75/1175473475.db2.gz ZXEAIIFUHWOAFJ-IUCAKERBSA-N -1 3 287.279 1.089 20 30 CDEDHM C[C@@H](C#N)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001602990457 1175473478 /nfs/dbraw/zinc/47/34/78/1175473478.db2.gz ZXEAIIFUHWOAFJ-IUCAKERBSA-N -1 3 287.279 1.089 20 30 CDEDHM C[C@](CNCC#N)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001753513697 1185242396 /nfs/dbraw/zinc/24/23/96/1185242396.db2.gz UJGAJKYTLHZFHY-OAHLLOKOSA-N -1 3 273.336 1.404 20 30 CDEDHM N#CCNC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001754606559 1185680459 /nfs/dbraw/zinc/68/04/59/1185680459.db2.gz VEKASGDJAYRZAW-NSHDSACASA-N -1 3 259.309 1.110 20 30 CDEDHM